A0A096LTS8_POEFO Loading...

Biliverdin reductase A

AlphaFold DB , UniProt , Accession A0A096LTS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 233 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	34.2	Very low	51.5	Low	235 Å²	235	136.5 Å²	136.5	100%	1.158	76%	0.755	S	S	*	*				0	127.6	0	-65.8	-164.1	174.6	0	0	106.8	E3	M1-E3 PolarHBondContact O-N 2.81Å
2	P	37.8	Very low	54.9	Low	111 Å²	111	132.4 Å²	132.4	72%	0.721	73%	0.728	S	S	*	*			trans	-67.3	129.1	174.5	-0.5	15.7	0	0	0	108	F4	P2-F4 PolarHBondContact O-N 2.86Å
3	E	38.2	Very low	58	Low	195 Å²	195	124.9 Å²	124.9	91%	0.911	69%	0.686	S	S	*	*			trans	-69.8	97.7	175.7	-162	171.1	-156.7	0	0	107.2	M1 A5	M1-E3 PolarHBondContact O-N 2.81Å; E3-A5 PolarHBondContact O-N 3.2Å
4	F	48.7	Very low	60.9	Low	184 Å²	184	116.1 Å²	116.1	81%	0.807	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.4	126.9	170.1	-82.9	-86.9	0	0	0	107.8	P2	P2-F4 PolarHBondContact O-N 2.86Å
5	A	51.2	Low	63.4	Low	96 Å²	96	108.4 Å²	108.4	79%	0.793	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-49.2	143.8	179.3	0	0	0	0	0	111.3	E3	E3-A5 PolarHBondContact O-N 3.2Å
6	A	48.1	Very low	65.6	Low	83 Å²	83	101.6 Å²	101.6	69%	0.686	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-48.3	152.6	-177.2	0	0	0	0	0	113.2	L8	A6-L8 PolarHBondContact O-N 3.33Å; A6-L8 VanDerWaalsContact O-N 3.14Å
7	P	47.5	Very low	67.6	Low	118 Å²	118	95.6 Å²	95.6	77%	0.766	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-57.3	122.5	-174.8	-17.4	28.9	0	0	0	111	S9	P7-S9 PolarHBondContact O-N 3.41Å
8	L	55.5	Low	69.3	Low	93 Å²	93	90.3 Å²	90.3	49%	0.487	50%	0.497	S	S	.	.			trans	-67.1	27.3	-179.9	-74.5	163.8	0	0	0	113.9	A6 N10 R11 L13	A6-L8 PolarHBondContact O-N 3.33Å; A6-L8 VanDerWaalsContact O-N 3.14Å; L8-N10 PolarHBondContact O-N 3.28Å; L8-R11 HydrophobicContact CD2-CB 4.28Å; L8-R11 PolarHBondContact O-N 3.14Å; L8-L13 HydrophobicContact CD2-CD2 4.46Å
9	S	60.1	Low	70.8	Confident	83 Å²	83	86.1 Å²	86.1	58%	0.58	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.7	-154.8	65.5	0	0	0	0	115.2	P7 K42	P7-S9 PolarHBondContact O-N 3.41Å; S9-K42 PolarHBondContact O-NZ 3.05Å
10	N	61.9	Low	72.1	Confident	161 Å²	161	82.4 Å²	82.4	86%	0.861	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	8.6	176.6	-93.3	-0.2	0	0	0	116.4	L8	L8-N10 PolarHBondContact O-N 3.28Å
11	R	82.9	Confident	73.1	Confident	143 Å²	143	80.4 Å²	80.4	54%	0.54	45%	0.454	S	S	.	.			trans	-91	126.9	-177	-175.8	173	176.1	169.8	0.7	111	L8 H75	L8-R11 HydrophobicContact CD2-CB 4.28Å; L8-R11 PolarHBondContact O-N 3.14Å; R11-H75 PolarHBondContact NH2-NE2 2.97Å
12	M	92.4	Very high	76	Confident	87 Å²	87	75.2 Å²	75.2	43%	0.429	44%	0.436	S	S	.	.			trans	-70.4	134.7	166.7	-61.7	-62.2	-67	0	0	109.9	E41 K42 I44	M12-E41 VanDerWaalsContact CE-O 3.22Å; M12-E41 WeakPolarHBondContact CE-O 3.5Å; M12-K42 WeakPolarHBondContact CA-O 3.22Å; M12-I44 HydrophobicContact CB-CD1 3.65Å; M12-I44 HydrophobicContact CB-CG1 4.14Å; M12-I44 HydrophobicContact CE-CD1 3.8Å; M12-I44 HydrophobicContact CE-CG1 3.4Å; M12-I44 VanDerWaalsContact CE-CG1 3.4Å; M12-I44 HydrophobicContact CG-CD1 4.05Å
13	L	96.1	Very high	78.8	Confident	35 Å²	35	71.6 Å²	71.6	18%	0.183	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111	177.2	-63.4	173.9	0	0	0	109	L8 K42 L43 I44 H75	L8-L13 HydrophobicContact CD2-CD2 4.46Å; L13-K42 PolarHBondContact N-O 2.84Å; L13-L43 HydrophobicContact CB-CD2 4.02Å; L13-L43 CarbonylContact O-C 3.5Å; L13-L43 WeakPolarHBondContact O-CA 3.45Å; L13-I44 PolarHBondContact O-N 3.27Å; L13-H75 HydrophobicContact CB-CB 4.49Å; L13-H75 HydrophobicContact CD2-CB 4.01Å
14	G	98.1	Very high	81.6	Confident	2 Å²	2	62.3 Å²	62.3	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.5	166.6	0	0	0	0	0	111.1	I44 D73 H75 A76	G14-I44 CarbonylContact C-O 3.54Å; G14-I44 VanDerWaalsContact CA-O 3.3Å; G14-I44 WeakPolarHBondContact CA-O 3.45Å; G14-D73 VanDerWaalsContact CA-O 3.28Å; G14-D73 WeakPolarHBondContact CA-O 3.29Å; G14-H75 PolarHBondContact N-ND1 3.37Å; G14-H75 PolarHBondContact O-N 2.93Å; G14-A76 PolarHBondContact O-N 3.38Å
15	A	98.3	Very high	83.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.2	-176.7	0	0	0	0	0	110.9	M31 I44 Q46 A76 F78	A15-M31 HydrophobicContact CB-SD 4.03Å; A15-I44 PolarHBondContact N-O 2.78Å; A15-Q46 PolarHBondContact O-N 3.25Å; A15-A76 CarbonylContact C-O 3.58Å; A15-A76 VanDerWaalsContact CA-O 3.25Å; A15-A76 WeakPolarHBondContact CA-O 3.34Å; A15-F78 HydrophobicContact CB-CD2 4.16Å; A15-F78 HydrophobicContact CB-CE2 3.99Å
16	V	98.8	Very high	86.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.9	168.9	65.6	0	0	0	0	109.6	V18 G47 V49 I63 A68 I74 A76 A77 F78 F93	V16-V18 HydrophobicContact CG1-CG2 4.39Å; V16-G47 WeakPolarHBondContact CG2-O 3.45Å; V16-V49 HydrophobicContact CG2-CG2 3.98Å; V16-I63 HydrophobicContact CG2-CD1 4.02Å; V16-I63 HydrophobicContact CG2-CG1 4.39Å; V16-A68 HydrophobicContact CB-CB 4.39Å; V16-A68 HydrophobicContact CG1-CB 4.2Å; V16-A68 HydrophobicContact CG2-CB 3.98Å; V16-I74 HydrophobicContact CB-CD1 4.29Å; V16-I74 HydrophobicContact CB-CG2 4.17Å; V16-I74 HydrophobicContact CG1-CG2 3.95Å; V16-A76 PolarHBondContact N-O 3.44Å; V16-A77 HydrophobicContact CG1-CB 3.8Å; V16-A77 WeakPolarHBondContact O-CA 3.41Å; V16-F78 PolarHBondContact O-N 3.29Å; V16-F93 HydrophobicContact CG1-CE1 3.6Å; V16-F93 HydrophobicContact CG1-CZ 3.76Å
17	V	98.8	Very high	88.4	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.4	172.8	-179.9	0	0	0	0	109.2	R27 I28 M31 G47 F48 V49 F78	V17-R27 HydrophobicContact CG1-CB 4.44Å; V17-R27 HydrophobicContact CG2-CB 4.27Å; V17-I28 HydrophobicContact CB-CD1 4.28Å; V17-I28 HydrophobicContact CB-CG1 3.91Å; V17-I28 HydrophobicContact CG1-CD1 4.39Å; V17-I28 HydrophobicContact CG1-CG1 4.14Å; V17-I28 HydrophobicContact CG2-CG1 3.71Å; V17-M31 HydrophobicContact CG2-CE 4.2Å; V17-G47 PolarHBondContact N-O 3.23Å; V17-F48 HydrophobicContact CB-CB 4.49Å; V17-F48 CarbonylContact O-C 3.52Å; V17-F48 WeakPolarHBondContact O-CA 3.39Å; V17-F48 WeakPolarHBondContact O-CB 3.43Å; V17-V49 PolarHBondContact O-N 3.01Å; V17-F78 HydrophobicContact CG2-CB 4.31Å
18	V	98.7	Very high	90.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.9	-178.4	-175.2	0	0	0	0	108.3	V16 V49 F78 I79 C80 T81 F89 F93	V16-V18 HydrophobicContact CG1-CG2 4.39Å; V18-V49 HydrophobicContact CB-CB 4.43Å; V18-V49 HydrophobicContact CG1-CB 4.15Å; V18-V49 HydrophobicContact CG1-CG1 4.31Å; V18-V49 HydrophobicContact CG2-CB 4.27Å; V18-V49 HydrophobicContact CG2-CG2 4.33Å; V18-F78 PolarHBondContact N-O 3.35Å; V18-I79 HydrophobicContact CB-CD1 3.76Å; V18-I79 HydrophobicContact CG1-CD1 4.35Å; V18-I79 HydrophobicContact CG2-CD1 3.64Å; V18-C80 CarbonylContact O-C 3.56Å; V18-C80 WeakPolarHBondContact O-CA 3.14Å; V18-C80 PolarHBondContact O-N 3.25Å; V18-T81 HydrophobicContact CG1-CG2 3.96Å; V18-T81 PolarHBondContact O-N 2.97Å; V18-F89 HydrophobicContact CG1-CB 4.48Å; V18-F89 HydrophobicContact CG1-CD1 3.63Å; V18-F89 HydrophobicContact CG1-CD2 3.94Å; V18-F89 HydrophobicContact CG1-CE1 3.69Å; V18-F89 HydrophobicContact CG1-CE2 4Å; V18-F89 HydrophobicContact CG1-CG 3.76Å; V18-F89 HydrophobicContact CG1-CZ 3.88Å; V18-F93 HydrophobicContact CG2-CE2 3.6Å; V18-F93 HydrophobicContact CG2-CZ 3.86Å
19	G	97.9	Very high	92.8	Very high	10 Å²	10	46.6 Å²	46.6	10%	0.103	26%	0.258	C	S	.	.			trans	89.8	125.3	-169.9	0	0	0	0	0	111.5	G24 V49	G19-G24 WeakPolarHBondContact O-CA 3.35Å; G19-V49 PolarHBondContact N-O 3.46Å
20	V	96	Very high	94.5	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	25%	0.246	C	C	.	.			trans	-122.1	51.9	179.4	-165	0	0	0	0	109.8	A25 I28 F48 R52 H57	V20-A25 HydrophobicContact CG1-CB 4.45Å; V20-I28 HydrophobicContact CG1-CD1 4.21Å; V20-I28 HydrophobicContact CG2-CD1 4.28Å; V20-F48 HydrophobicContact CG2-CB 3.82Å; V20-F48 HydrophobicContact CG2-CD2 3.29Å; V20-F48 HydrophobicContact CG2-CE2 3.96Å; V20-F48 HydrophobicContact CG2-CG 3.66Å; V20-R52 PolarHBondContact O-NH2 3.33Å; V20-H57 HydrophobicContact CG1-CB 4.37Å
21	G	93.9	Very high	96.1	Very high	41 Å²	41	38.6 Å²	38.6	42%	0.423	21%	0.208	S	C	.	.	S	Bend	trans	-81	-154.1	162	0	0	0	0	0	110.6	A25	G21-A25 VanDerWaalsContact O-CB 3.27Å; G21-A25 WeakPolarHBondContact O-CB 3.35Å; G21-A25 PolarHBondContact O-N 2.74Å
22	T	94.3	Very high	96.7	Very high	127 Å²	127	35.8 Å²	35.8	78%	0.779	20%	0.204	S	C	*	.	H	α-helix	trans	-58.7	-51.9	178.2	-52.8	0	0	0	0	112.2	A25 V26	T22-A25 PolarHBondContact O-N 3.13Å; T22-V26 WeakPolarHBondContact O-CG2 3.28Å; T22-V26 PolarHBondContact O-N 3.49Å; T22-V26 VanDerWaalsContact O-N 3.15Å
23	A	96.5	Very high	96.9	Very high	35 Å²	35	36.9 Å²	36.9	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-51.1	-178.7	0	0	0	0	0	111.8	A25 V26 R27 C80 E103	A23-A25 PolarHBondContact O-N 2.99Å; A23-V26 WeakPolarHBondContact O-CB 3.36Å; A23-V26 PolarHBondContact O-N 3.41Å; A23-V26 VanDerWaalsContact O-N 3.1Å; A23-R27 WeakPolarHBondContact O-CG 3.3Å; A23-R27 PolarHBondContact O-N 2.91Å; A23-C80 HydrophobicContact CB-CB 4.1Å; A23-E103 HydrophobicContact CB-CG 4.04Å
24	G	97.6	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-39.8	179.6	0	0	0	0	0	114.2	G19 V26 R27 I28	G19-G24 WeakPolarHBondContact O-CA 3.35Å; G24-V26 VanDerWaalsContact C-N 3.3Å; G24-V26 PolarHBondContact O-N 2.75Å; G24-R27 PolarHBondContact O-N 2.84Å; G24-I28 WeakPolarHBondContact O-CG1 3.48Å; G24-I28 PolarHBondContact O-N 2.76Å
25	A	97.3	Very high	96.6	Very high	24 Å²	24	44 Å²	44	20%	0.198	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-37.4	175.6	0	0	0	0	0	112.2	V20 G21 T22 A23 R29 Q58	V20-A25 HydrophobicContact CG1-CB 4.45Å; G21-A25 VanDerWaalsContact O-CB 3.27Å; G21-A25 WeakPolarHBondContact O-CB 3.35Å; G21-A25 PolarHBondContact O-N 2.74Å; T22-A25 PolarHBondContact O-N 3.13Å; A23-A25 PolarHBondContact O-N 2.99Å; A25-R29 WeakPolarHBondContact O-CB 3.48Å; A25-R29 PolarHBondContact O-N 3.37Å; A25-Q58 PolarHBondContact O-NE2 2.76Å
26	V	96.7	Very high	96.4	Very high	49 Å²	49	48.1 Å²	48.1	30%	0.297	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-45.7	173.6	164.9	0	0	0	0	111.1	T22 A23 G24 I28 R29 D30	T22-V26 WeakPolarHBondContact O-CG2 3.28Å; T22-V26 PolarHBondContact O-N 3.49Å; T22-V26 VanDerWaalsContact O-N 3.15Å; A23-V26 WeakPolarHBondContact O-CB 3.36Å; A23-V26 PolarHBondContact O-N 3.41Å; A23-V26 VanDerWaalsContact O-N 3.1Å; G24-V26 VanDerWaalsContact C-N 3.3Å; G24-V26 PolarHBondContact O-N 2.75Å; V26-I28 PolarHBondContact O-N 3.09Å; V26-R29 WeakPolarHBondContact O-CB 3.33Å; V26-R29 PolarHBondContact O-N 3.02Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.3Å; V26-D30 WeakPolarHBondContact O-CB 3.34Å; V26-D30 VanDerWaalsContact O-CG 3.24Å; V26-D30 PolarHBondContact O-N 3.25Å
27	R	97.4	Very high	96	Very high	51 Å²	51	51.6 Å²	51.6	19%	0.192	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-44.3	176.6	-66.2	-64.3	-176.1	-162.9	-9.3	112	V17 A23 G24 D30 M31 F78 E103 E130	V17-R27 HydrophobicContact CG1-CB 4.44Å; V17-R27 HydrophobicContact CG2-CB 4.27Å; A23-R27 WeakPolarHBondContact O-CG 3.3Å; A23-R27 PolarHBondContact O-N 2.91Å; G24-R27 PolarHBondContact O-N 2.84Å; R27-D30 PolarHBondContact O-N 3.46Å; R27-M31 HydrophobicContact CB-CE 4.23Å; R27-M31 WeakPolarHBondContact O-CG 3.32Å; R27-M31 PolarHBondContact O-N 2.88Å; R27-M31 VanDerWaalsContact O-N 3.09Å; R27-F78 HydrophobicContact CG-CD1 4.43Å; R27-E103 IonicContact CZ-OE1 3.62Å; R27-E103 VanDerWaalsContact CZ-OE1 3.24Å; R27-E103 IonicContact NE-OE1 3.46Å; R27-E103 PolarHBondContact NE-OE1 3.15Å; R27-E103 VanDerWaalsContact NH2-CD 3.32Å; R27-E103 IonicContact NH2-OE1 2.8Å; R27-E103 PolarHBondContact NH2-OE1 3Å; R27-E103 IonicContact NH2-OE2 3.11Å; R27-E103 PolarHBondContact NH2-OE2 2.69Å; R27-E130 IonicContact CZ-OE1 3.67Å; R27-E130 VanDerWaalsContact NH2-CG 3.29Å; R27-E130 IonicContact NH2-OE1 3.91Å; R27-E130 PolarHBondContact NH2-OE1 2.7Å
28	I	97.6	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-51.2	175.4	-69.7	170.9	0	0	0	110.2	V17 V20 G24 V26 D30 M31 L32 F48 Q58 V60	V17-I28 HydrophobicContact CB-CD1 4.28Å; V17-I28 HydrophobicContact CB-CG1 3.91Å; V17-I28 HydrophobicContact CG1-CD1 4.39Å; V17-I28 HydrophobicContact CG1-CG1 4.14Å; V17-I28 HydrophobicContact CG2-CG1 3.71Å; V20-I28 HydrophobicContact CG1-CD1 4.21Å; V20-I28 HydrophobicContact CG2-CD1 4.28Å; G24-I28 WeakPolarHBondContact O-CG1 3.48Å; G24-I28 PolarHBondContact O-N 2.76Å; V26-I28 PolarHBondContact O-N 3.09Å; I28-D30 VanDerWaalsContact C-N 3.33Å; I28-D30 PolarHBondContact O-N 2.72Å; I28-M31 PolarHBondContact O-N 3.17Å; I28-L32 HydrophobicContact CG2-CD1 3.74Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CG 3.37Å; I28-L32 PolarHBondContact O-N 3.06Å; I28-F48 HydrophobicContact CD1-CB 4.02Å; I28-F48 HydrophobicContact CD1-CD1 4.49Å; I28-F48 HydrophobicContact CD1-CG 4.45Å; I28-Q58 HydrophobicContact CG2-CB 4.07Å; I28-V60 HydrophobicContact CG2-CG2 3.79Å
29	R	96.8	Very high	95.2	Very high	119 Å²	119	57.4 Å²	57.4	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-55	-48.4	178.9	179.8	-160.8	67.4	-163.9	0.1	111.6	A25 V26 M31 L32 T33	A25-R29 WeakPolarHBondContact O-CB 3.48Å; A25-R29 PolarHBondContact O-N 3.37Å; V26-R29 WeakPolarHBondContact O-CB 3.33Å; V26-R29 PolarHBondContact O-N 3.02Å; R29-M31 VanDerWaalsContact C-N 3.29Å; R29-M31 PolarHBondContact O-N 3.12Å; R29-L32 PolarHBondContact O-N 3.29Å; R29-T33 PolarHBondContact O-N 2.93Å
30	D	95.6	Very high	94.9	Very high	61 Å²	61	58 Å²	58	33%	0.326	37%	0.374	S	S	.	.	H	α-helix	trans	-70.7	-25.7	-174.8	-67.5	-5.1	0	0	0	112.5	V26 R27 I28 T33 P34	V26-D30 WeakPolarHBondContact CG1-OD2 3.3Å; V26-D30 WeakPolarHBondContact O-CB 3.34Å; V26-D30 VanDerWaalsContact O-CG 3.24Å; V26-D30 PolarHBondContact O-N 3.25Å; R27-D30 PolarHBondContact O-N 3.46Å; I28-D30 VanDerWaalsContact C-N 3.33Å; I28-D30 PolarHBondContact O-N 2.72Å; D30-T33 CarbonylContact O-C 3.46Å; D30-P34 WeakPolarHBondContact O-CA 3.48Å
31	M	96.1	Very high	94.9	Very high	15 Å²	15	61.9 Å²	61.9	7%	0.074	39%	0.392	C	S	.	.	H	α-helix	trans	-80.7	-30.6	171	-68.4	-179.4	-148.7	0	0	112.8	A15 V17 R27 I28 R29 L43 V45 F78	A15-M31 HydrophobicContact CB-SD 4.03Å; V17-M31 HydrophobicContact CG2-CE 4.2Å; R27-M31 HydrophobicContact CB-CE 4.23Å; R27-M31 WeakPolarHBondContact O-CG 3.32Å; R27-M31 PolarHBondContact O-N 2.88Å; R27-M31 VanDerWaalsContact O-N 3.09Å; I28-M31 PolarHBondContact O-N 3.17Å; R29-M31 VanDerWaalsContact C-N 3.29Å; R29-M31 PolarHBondContact O-N 3.12Å; M31-L43 HydrophobicContact CE-CD1 4.2Å; M31-L43 HydrophobicContact CG-CB 4.11Å; M31-L43 HydrophobicContact CG-CD1 4.01Å; M31-L43 HydrophobicContact SD-CB 4.21Å; M31-L43 HydrophobicContact SD-CD1 4.11Å; M31-V45 HydrophobicContact CB-CG2 3.29Å; M31-V45 HydrophobicContact CG-CG2 4.08Å; M31-V45 HydrophobicContact SD-CG2 3.67Å; M31-F78 HydrophobicContact CE-CB 4.4Å; M31-F78 HydrophobicContact CE-CD1 3.66Å; M31-F78 HydrophobicContact CE-CD2 3.43Å; M31-F78 VanDerWaalsContact CE-CD2 3.43Å; M31-F78 HydrophobicContact CE-CE1 3.64Å; M31-F78 HydrophobicContact CE-CE2 3.42Å; M31-F78 VanDerWaalsContact CE-CE2 3.42Å; M31-F78 HydrophobicContact CE-CG 3.55Å; M31-F78 HydrophobicContact CE-CZ 3.53Å; M31-F78 HydrophobicContact SD-CE2 4.42Å
32	L	96.3	Very high	94.9	Very high	85 Å²	85	64.5 Å²	64.5	45%	0.445	39%	0.391	S	S	.	.	H	α-helix	trans	-75.5	-33.9	175.3	-70.1	174.8	0	0	0	112.3	I28 R29 P34 Q58 V60	I28-L32 HydrophobicContact CG2-CD1 3.74Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CG 3.37Å; I28-L32 PolarHBondContact O-N 3.06Å; R29-L32 PolarHBondContact O-N 3.29Å; L32-P34 VanDerWaalsContact C-CD 3.48Å; L32-Q58 HydrophobicContact CD1-CB 3.85Å; L32-Q58 VanDerWaalsContact CD1-O 3.31Å; L32-Q58 WeakPolarHBondContact CD1-O 3.47Å; L32-V60 HydrophobicContact CD1-CG2 4.14Å; L32-V60 HydrophobicContact CD2-CG2 4.27Å
33	T	95.9	Very high	95	Very high	110 Å²	110	60 Å²	60	68%	0.675	36%	0.362	S	S	*	.	S	Bend	trans	-127.4	68	179.8	-46.5	0	0	0	0	109.7	R29 D30	R29-T33 PolarHBondContact O-N 2.93Å; D30-T33 CarbonylContact O-C 3.46Å
34	P	95.4	Very high	95	Very high	46 Å²	46	61.7 Å²	61.7	30%	0.299	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-66.4	144.7	-176.9	28.8	-35.2	0	0	0	111	D30 L32 A36 A40 E41	D30-P34 WeakPolarHBondContact O-CA 3.48Å; L32-P34 VanDerWaalsContact C-CD 3.48Å; P34-A36 PolarHBondContact O-N 2.97Å; P34-A40 HydrophobicContact CB-CB 3.74Å; P34-E41 HydrophobicContact CB-CG 3.98Å; P34-E41 HydrophobicContact CG-CG 3.99Å
35	L	93	Very high	95	Very high	140 Å²	140	62.7 Å²	62.7	73%	0.733	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-63.4	134.5	170	-177.2	68.1	0	0	0	109	G37 S38	L35-G37 PolarHBondContact O-N 3.21Å; L35-S38 WeakPolarHBondContact O-CB 3.36Å; L35-S38 PolarHBondContact O-N 2.95Å; L35-S38 PolarHBondContact O-OG 3.13Å
36	A	93.3	Very high	95	Very high	87 Å²	87	64.1 Å²	64.1	72%	0.719	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128.8	-178.9	0	0	0	0	0	111.7	P34 S38 E41	P34-A36 PolarHBondContact O-N 2.97Å; A36-S38 PolarHBondContact O-N 3.17Å; A36-E41 VanDerWaalsContact CA-OE1 3.3Å; A36-E41 WeakPolarHBondContact CA-OE1 3.25Å
37	G	90.8	Very high	95.1	Very high	72 Å²	72	61.8 Å²	61.8	74%	0.742	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	4.7	-177.4	0	0	0	0	0	115.3	L35 E41	L35-G37 PolarHBondContact O-N 3.21Å; G37-E41 WeakPolarHBondContact CA-OE2 3.4Å; G37-E41 PolarHBondContact N-OE1 3.39Å; G37-E41 PolarHBondContact N-OE2 3.32Å
38	S	92	Very high	95.1	Very high	36 Å²	36	59.3 Å²	59.3	25%	0.252	35%	0.351	S	S	.	.	S	Bend	trans	-80.1	158	172.9	73.8	0	0	0	0	111.8	L35 A36 A40 E41	L35-S38 WeakPolarHBondContact O-CB 3.36Å; L35-S38 PolarHBondContact O-N 2.95Å; L35-S38 PolarHBondContact O-OG 3.13Å; A36-S38 PolarHBondContact O-N 3.17Å; S38-A40 PolarHBondContact O-N 2.98Å; S38-A40 VanDerWaalsContact O-N 3.13Å; S38-A40 PolarHBondContact OG-N 3.31Å; S38-E41 WeakPolarHBondContact O-CB 3.36Å; S38-E41 PolarHBondContact O-N 3.46Å
39	A	89.1	Confident	95.2	Very high	86 Å²	86	60 Å²	60	71%	0.711	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.4	174.9	0	0	0	0	0	113.2	E41 K42	A39-E41 PolarHBondContact O-N 3.47Å; A39-K42 PolarHBondContact O-N 3.28Å; A39-K42 VanDerWaalsContact O-N 3.12Å
40	A	92.3	Very high	95.2	Very high	23 Å²	23	55.3 Å²	55.3	19%	0.19	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-65	-22.4	177.8	0	0	0	0	0	112.8	P34 S38 K42 L43	P34-A40 HydrophobicContact CB-CB 3.74Å; S38-A40 PolarHBondContact O-N 2.98Å; S38-A40 VanDerWaalsContact O-N 3.13Å; S38-A40 PolarHBondContact OG-N 3.31Å; A40-K42 PolarHBondContact O-N 2.92Å; A40-L43 WeakPolarHBondContact O-CB 3.31Å; A40-L43 PolarHBondContact O-N 2.91Å
41	E	94.3	Very high	95	Very high	92 Å²	92	61.9 Å²	61.9	43%	0.43	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-60.1	-17.7	172.7	-67.1	-176.8	147.3	0	0	113.2	M12 P34 A36 G37 S38 A39	M12-E41 VanDerWaalsContact CE-O 3.22Å; M12-E41 WeakPolarHBondContact CE-O 3.5Å; P34-E41 HydrophobicContact CB-CG 3.98Å; P34-E41 HydrophobicContact CG-CG 3.99Å; A36-E41 VanDerWaalsContact CA-OE1 3.3Å; A36-E41 WeakPolarHBondContact CA-OE1 3.25Å; G37-E41 WeakPolarHBondContact CA-OE2 3.4Å; G37-E41 PolarHBondContact N-OE1 3.39Å; G37-E41 PolarHBondContact N-OE2 3.32Å; S38-E41 WeakPolarHBondContact O-CB 3.36Å; S38-E41 PolarHBondContact O-N 3.46Å; A39-E41 PolarHBondContact O-N 3.47Å
42	K	94.8	Very high	94.9	Very high	96 Å²	96	68.1 Å²	68.1	42%	0.417	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-95.2	2.7	177.6	-60.3	-175.1	179.5	-173.7	0	113.1	S9 M12 L13 A39 A40	S9-K42 PolarHBondContact O-NZ 3.05Å; M12-K42 WeakPolarHBondContact CA-O 3.22Å; L13-K42 PolarHBondContact N-O 2.84Å; A39-K42 PolarHBondContact O-N 3.28Å; A39-K42 VanDerWaalsContact O-N 3.12Å; A40-K42 PolarHBondContact O-N 2.92Å
43	L	96.1	Very high	94.7	Very high	32 Å²	32	72.4 Å²	72.4	17%	0.168	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.9	179.7	-61.3	176.4	0	0	0	110.7	L13 M31 A40 F78	L13-L43 HydrophobicContact CB-CD2 4.02Å; L13-L43 CarbonylContact O-C 3.5Å; L13-L43 WeakPolarHBondContact O-CA 3.45Å; M31-L43 HydrophobicContact CE-CD1 4.2Å; M31-L43 HydrophobicContact CG-CB 4.11Å; M31-L43 HydrophobicContact CG-CD1 4.01Å; M31-L43 HydrophobicContact SD-CB 4.21Å; M31-L43 HydrophobicContact SD-CD1 4.11Å; A40-L43 WeakPolarHBondContact O-CB 3.31Å; A40-L43 PolarHBondContact O-N 2.91Å; L43-F78 HydrophobicContact CD1-CE2 4.17Å; L43-F78 HydrophobicContact CD1-CZ 3.73Å
44	I	96.7	Very high	94.5	Very high	72 Å²	72	70.1 Å²	70.1	37%	0.369	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.2	171.5	-55.7	178.2	0	0	0	107.8	M12 L13 G14 A15 Q46	M12-I44 HydrophobicContact CB-CD1 3.65Å; M12-I44 HydrophobicContact CB-CG1 4.14Å; M12-I44 HydrophobicContact CE-CD1 3.8Å; M12-I44 HydrophobicContact CE-CG1 3.4Å; M12-I44 VanDerWaalsContact CE-CG1 3.4Å; M12-I44 HydrophobicContact CG-CD1 4.05Å; L13-I44 PolarHBondContact O-N 3.27Å; G14-I44 CarbonylContact C-O 3.54Å; G14-I44 VanDerWaalsContact CA-O 3.3Å; G14-I44 WeakPolarHBondContact CA-O 3.45Å; A15-I44 PolarHBondContact N-O 2.78Å; I44-Q46 PolarHBondContact O-N 3.47Å
45	V	97.5	Very high	94	Very high	20 Å²	20	73.2 Å²	73.2	12%	0.121	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	114.8	175	-166.6	0	0	0	0	109.4	M31 V60	M31-V45 HydrophobicContact CB-CG2 3.29Å; M31-V45 HydrophobicContact CG-CG2 4.08Å; M31-V45 HydrophobicContact SD-CG2 3.67Å; V45-V60 HydrophobicContact CB-CG2 4.18Å; V45-V60 HydrophobicContact CG1-CB 4.41Å; V45-V60 HydrophobicContact CG1-CG1 3.59Å; V45-V60 HydrophobicContact CG1-CG2 3.92Å
46	Q	98	Very high	94	Very high	54 Å²	54	69.1 Å²	69.1	25%	0.252	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-17.3	-179.9	-67.5	-67.6	8.5	0	0	113.2	A15 I44 D73 I74	A15-Q46 PolarHBondContact O-N 3.25Å; I44-Q46 PolarHBondContact O-N 3.47Å; Q46-D73 VanDerWaalsContact CD-OD2 3.28Å; Q46-D73 PolarHBondContact NE2-OD2 2.98Å; Q46-D73 PolarHBondContact OE1-OD2 2.86Å; Q46-I74 HydrophobicContact CB-CD1 4.01Å; Q46-I74 HydrophobicContact CB-CG1 3.65Å; Q46-I74 HydrophobicContact CG-CG1 3.89Å
47	G	98	Very high	93.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	176.2	-179.2	0	0	0	0	0	111.6	V16 V17 V60 K61	V16-G47 WeakPolarHBondContact CG2-O 3.45Å; V17-G47 PolarHBondContact N-O 3.23Å; G47-V60 VanDerWaalsContact CA-CG1 3.49Å; G47-K61 CarbonylContact C-O 3.53Å; G47-K61 VanDerWaalsContact CA-O 3.25Å; G47-K61 WeakPolarHBondContact CA-O 3.14Å
48	F	98.6	Very high	93.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152	167	72.1	-95.2	0	0	0	111.7	V17 V20 I28 L54 H57 V60 K61 Q62 I63	V17-F48 HydrophobicContact CB-CB 4.49Å; V17-F48 CarbonylContact O-C 3.52Å; V17-F48 WeakPolarHBondContact O-CA 3.39Å; V17-F48 WeakPolarHBondContact O-CB 3.43Å; V20-F48 HydrophobicContact CG2-CB 3.82Å; V20-F48 HydrophobicContact CG2-CD2 3.29Å; V20-F48 HydrophobicContact CG2-CE2 3.96Å; V20-F48 HydrophobicContact CG2-CG 3.66Å; I28-F48 HydrophobicContact CD1-CB 4.02Å; I28-F48 HydrophobicContact CD1-CD1 4.49Å; I28-F48 HydrophobicContact CD1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CB 4.3Å; F48-L54 HydrophobicContact CE2-CD1 4.15Å; F48-L54 HydrophobicContact CZ-CB 4Å; F48-L54 HydrophobicContact CZ-CD1 4.41Å; F48-H57 HydrophobicContact CD1-CB 4.17Å; F48-H57 HydrophobicContact CE1-CB 3.63Å; F48-H57 HydrophobicContact CZ-CB 3.97Å; F48-V60 HydrophobicContact CD1-CB 4.25Å; F48-V60 HydrophobicContact CD1-CG1 3.96Å; F48-V60 VanDerWaalsContact CE1-O 3.25Å; F48-V60 WeakPolarHBondContact CE1-O 3.21Å; F48-K61 WeakPolarHBondContact CD1-O 3.47Å; F48-K61 PolarHBondContact N-O 3.28Å; F48-Q62 HydrophobicContact CD2-CB 4.35Å; F48-Q62 HydrophobicContact CD2-CG 4.22Å; F48-Q62 HydrophobicContact CE1-CB 4.05Å; F48-Q62 HydrophobicContact CE2-CB 3.67Å; F48-Q62 HydrophobicContact CE2-CG 3.68Å; F48-Q62 HydrophobicContact CZ-CB 3.5Å; F48-Q62 HydrophobicContact CZ-CG 4.06Å; F48-Q62 CarbonylContact O-C 3.51Å; F48-Q62 WeakPolarHBondContact O-CA 3.41Å; F48-I63 PolarHBondContact O-N 2.82Å
49	V	98.3	Very high	93.9	Very high	14 Å²	14	73.7 Å²	73.7	9%	0.085	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132	173.1	179.9	0	0	0	0	108.4	V16 V17 V18 G19 I63 A65 A68	V16-V49 HydrophobicContact CG2-CG2 3.98Å; V17-V49 PolarHBondContact O-N 3.01Å; V18-V49 HydrophobicContact CB-CB 4.43Å; V18-V49 HydrophobicContact CG1-CB 4.15Å; V18-V49 HydrophobicContact CG1-CG1 4.31Å; V18-V49 HydrophobicContact CG2-CB 4.27Å; V18-V49 HydrophobicContact CG2-CG2 4.33Å; G19-V49 PolarHBondContact N-O 3.46Å; V49-I63 HydrophobicContact CG2-CG1 4.34Å; V49-A65 HydrophobicContact CG1-CB 4.18Å; V49-A68 HydrophobicContact CG2-CB 4.2Å
50	S	96.8	Very high	94.2	Very high	20 Å²	20	70.1 Å²	70.1	14%	0.14	34%	0.34	C	S	.	.			trans	-148.3	141.3	178.2	165.7	0	0	0	0	109.7	R52 Q62	S50-R52 VanDerWaalsContact C-N 3.27Å; S50-R52 PolarHBondContact OG-N 2.94Å; S50-R52 PolarHBondContact OG-O 3.34Å; S50-Q62 PolarHBondContact O-NE2 3.1Å
51	R	92.8	Very high	94.5	Very high	200 Å²	200	76.6 Å²	76.6	76%	0.755	36%	0.364	S	S	*	.	S	Bend	trans	-66.7	-31.2	170.2	-65.2	-179.3	-63.9	-175.8	-3.4	112.1	E82	R51-E82 IonicContact CZ-OE1 2.77Å; R51-E82 IonicContact CZ-OE2 2.77Å; R51-E82 IonicContact NE-OE1 2.69Å; R51-E82 IonicContact NH1-OE1 3.83Å; R51-E82 PolarHBondContact NH1-OE1 2.87Å; R51-E82 IonicContact NH2-OE1 3.75Å; R51-E82 PolarHBondContact NH2-OE1 2.85Å; R51-E82 IonicContact NH2-OE2 2.84Å; R51-E82 PolarHBondContact NH2-OE2 2.87Å
52	R	92.3	Very high	94.6	Very high	146 Å²	146	74.7 Å²	74.7	55%	0.551	36%	0.355	S	S	*	.	S	Bend	trans	-79.6	139.7	175.3	-60.7	177.4	-64.6	175.4	0.5	109.3	V20 S50 L54 Q62	V20-R52 PolarHBondContact O-NH2 3.33Å; S50-R52 VanDerWaalsContact C-N 3.27Å; S50-R52 PolarHBondContact OG-N 2.94Å; S50-R52 PolarHBondContact OG-O 3.34Å; R52-L54 HydrophobicContact CB-CD2 4.34Å; R52-L54 HydrophobicContact CB-CG 4.19Å; R52-L54 PolarHBondContact O-N 2.75Å; R52-Q62 PolarHBondContact O-NE2 3.25Å; R52-Q62 PolarHBondContact O-OE1 2.84Å
53	K	92.6	Very high	94.8	Very high	174 Å²	174	70.8 Å²	70.8	76%	0.757	34%	0.338	S	S	*	.			trans	-76.8	111.4	168.6	-170.1	174.6	-178.1	-179.5	0	109.2	D55	K53-D55 VanDerWaalsContact CE-OD1 3.3Å; K53-D55 WeakPolarHBondContact CE-OD1 3.48Å
54	L	91.7	Very high	94.9	Very high	62 Å²	62	71.7 Å²	71.7	33%	0.325	35%	0.347	S	S	.	.			trans	-120.2	-16.9	-178.5	-63.7	176.6	0	0	0	112.4	F48 R52 A56	F48-L54 HydrophobicContact CE2-CB 4.3Å; F48-L54 HydrophobicContact CE2-CD1 4.15Å; F48-L54 HydrophobicContact CZ-CB 4Å; F48-L54 HydrophobicContact CZ-CD1 4.41Å; R52-L54 HydrophobicContact CB-CD2 4.34Å; R52-L54 HydrophobicContact CB-CG 4.19Å; R52-L54 PolarHBondContact O-N 2.75Å; L54-A56 PolarHBondContact O-N 2.86Å
55	D	85.9	Confident	95	Very high	112 Å²	112	68.7 Å²	68.7	60%	0.599	33%	0.333	S	S	*	.	S	Bend	trans	62.9	-53.7	-174	-56.2	-37.6	0	0	0	113.6	K53 Q62	K53-D55 VanDerWaalsContact CE-OD1 3.3Å; K53-D55 WeakPolarHBondContact CE-OD1 3.48Å; D55-Q62 PolarHBondContact O-N 3.23Å
56	A	91.9	Very high	95	Very high	54 Å²	54	73.8 Å²	73.8	45%	0.446	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	173.7	0	0	0	0	0	112.7	L54 V60	L54-A56 PolarHBondContact O-N 2.86Å; A56-V60 CarbonylContact C-O 3.56Å; A56-V60 WeakPolarHBondContact CA-O 3.42Å; A56-V60 WeakPolarHBondContact CB-O 3.25Å
57	H	91.7	Very high	95	Very high	54 Å²	54	75 Å²	75	25%	0.25	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	121	173	-176.2	77.9	0	0	0	108.8	V20 F48 D59 V60	V20-H57 HydrophobicContact CG1-CB 4.37Å; F48-H57 HydrophobicContact CD1-CB 4.17Å; F48-H57 HydrophobicContact CE1-CB 3.63Å; F48-H57 HydrophobicContact CZ-CB 3.97Å; H57-D59 PolarHBondContact O-N 3.04Å; H57-V60 PolarHBondContact N-O 3.31Å; H57-V60 WeakPolarHBondContact O-CB 3.43Å; H57-V60 PolarHBondContact O-N 2.97Å
58	Q	90.1	Very high	95	Very high	72 Å²	72	75 Å²	75	34%	0.336	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	45.3	-174.6	-57.9	177.9	54	0	0	112	A25 I28 L32 V60	A25-Q58 PolarHBondContact O-NE2 2.76Å; I28-Q58 HydrophobicContact CG2-CB 4.07Å; L32-Q58 HydrophobicContact CD1-CB 3.85Å; L32-Q58 VanDerWaalsContact CD1-O 3.31Å; L32-Q58 WeakPolarHBondContact CD1-O 3.47Å; Q58-V60 PolarHBondContact O-N 3.35Å
59	D	91.6	Very high	95	Very high	165 Å²	165	76.5 Å²	76.5	88%	0.882	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	2.2	-176.9	-55.1	-45.4	0	0	0	116.5	H57	H57-D59 PolarHBondContact O-N 3.04Å
60	V	96.5	Very high	95	Very high	10 Å²	10	80 Å²	80	6%	0.061	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	137.4	170	-177.7	0	0	0	0	109.1	I28 L32 V45 G47 F48 A56 H57 Q58	I28-V60 HydrophobicContact CG2-CG2 3.79Å; L32-V60 HydrophobicContact CD1-CG2 4.14Å; L32-V60 HydrophobicContact CD2-CG2 4.27Å; V45-V60 HydrophobicContact CB-CG2 4.18Å; V45-V60 HydrophobicContact CG1-CB 4.41Å; V45-V60 HydrophobicContact CG1-CG1 3.59Å; V45-V60 HydrophobicContact CG1-CG2 3.92Å; G47-V60 VanDerWaalsContact CA-CG1 3.49Å; F48-V60 HydrophobicContact CD1-CB 4.25Å; F48-V60 HydrophobicContact CD1-CG1 3.96Å; F48-V60 VanDerWaalsContact CE1-O 3.25Å; F48-V60 WeakPolarHBondContact CE1-O 3.21Å; A56-V60 CarbonylContact C-O 3.56Å; A56-V60 WeakPolarHBondContact CA-O 3.42Å; A56-V60 WeakPolarHBondContact CB-O 3.25Å; H57-V60 PolarHBondContact N-O 3.31Å; H57-V60 WeakPolarHBondContact O-CB 3.43Å; H57-V60 PolarHBondContact O-N 2.97Å; Q58-V60 PolarHBondContact O-N 3.35Å
61	K	97.5	Very high	95.1	Very high	159 Å²	159	81.9 Å²	81.9	69%	0.691	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.9	179.8	-67.5	-177.2	-179.8	178.4	0	112.2	G47 F48	G47-K61 CarbonylContact C-O 3.53Å; G47-K61 VanDerWaalsContact CA-O 3.25Å; G47-K61 WeakPolarHBondContact CA-O 3.14Å; F48-K61 WeakPolarHBondContact CD1-O 3.47Å; F48-K61 PolarHBondContact N-O 3.28Å
62	Q	98.3	Very high	95.3	Very high	52 Å²	52	81.1 Å²	81.1	24%	0.243	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-72.1	132.7	167.3	-171.3	169.5	-4.6	0	0	110.3	F48 S50 R52 D55	F48-Q62 HydrophobicContact CD2-CB 4.35Å; F48-Q62 HydrophobicContact CD2-CG 4.22Å; F48-Q62 HydrophobicContact CE1-CB 4.05Å; F48-Q62 HydrophobicContact CE2-CB 3.67Å; F48-Q62 HydrophobicContact CE2-CG 3.68Å; F48-Q62 HydrophobicContact CZ-CB 3.5Å; F48-Q62 HydrophobicContact CZ-CG 4.06Å; F48-Q62 CarbonylContact O-C 3.51Å; F48-Q62 WeakPolarHBondContact O-CA 3.41Å; S50-Q62 PolarHBondContact O-NE2 3.1Å; R52-Q62 PolarHBondContact O-NE2 3.25Å; R52-Q62 PolarHBondContact O-OE1 2.84Å; D55-Q62 PolarHBondContact O-N 3.23Å
63	I	98.3	Very high	95.6	Very high	15 Å²	15	76.9 Å²	76.9	8%	0.077	39%	0.393	C	S	.	.			trans	-128.3	163.1	172.4	61.6	174.8	0	0	0	110	V16 F48 V49 E67 A68 I74	V16-I63 HydrophobicContact CG2-CD1 4.02Å; V16-I63 HydrophobicContact CG2-CG1 4.39Å; F48-I63 PolarHBondContact O-N 2.82Å; V49-I63 HydrophobicContact CG2-CG1 4.34Å; I63-E67 HydrophobicContact CB-CB 4.48Å; I63-E67 WeakPolarHBondContact CG2-OE1 3.33Å; I63-A68 HydrophobicContact CD1-CB 3.79Å; I63-A68 HydrophobicContact CG1-CB 4.39Å; I63-I74 HydrophobicContact CD1-CD1 3.83Å
64	S	98.1	Very high	95.8	Very high	50 Å²	50	68.6 Å²	68.6	35%	0.35	36%	0.357	S	S	.	.			trans	-79.5	161.4	174.5	95.3	0	0	0	0	111.2	E66 E67 A68	S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 WeakPolarHBondContact CB-OE2 3.39Å; S64-E66 PolarHBondContact O-N 3.23Å; S64-E66 PolarHBondContact OG-N 2.99Å; S64-E66 PolarHBondContact OG-OE2 3.36Å; S64-E67 PolarHBondContact O-N 3.19Å; S64-E67 PolarHBondContact OG-N 2.98Å; S64-A68 WeakPolarHBondContact O-CB 3.25Å; S64-A68 PolarHBondContact O-N 3.06Å
65	A	98	Very high	96.2	Very high	10 Å²	10	67.2 Å²	67.2	8%	0.083	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-37.9	175.4	0	0	0	0	0	111.1	V49 A68 V69 F89 M92	V49-A65 HydrophobicContact CG1-CB 4.18Å; A65-A68 WeakPolarHBondContact O-CB 3.49Å; A65-A68 PolarHBondContact O-N 3.42Å; A65-V69 WeakPolarHBondContact O-CG2 3.18Å; A65-V69 PolarHBondContact O-N 2.96Å; A65-F89 HydrophobicContact CB-CE1 4.25Å; A65-M92 HydrophobicContact CB-SD 3.85Å
66	E	98.1	Very high	96.8	Very high	126 Å²	126	62.4 Å²	62.4	59%	0.589	32%	0.324	S	S	*	.	H	α-helix	trans	-64.3	-41.5	177.5	-55.5	74.4	-161.1	0	0	111.9	S64 V69 S70	S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 WeakPolarHBondContact CB-OE2 3.39Å; S64-E66 PolarHBondContact O-N 3.23Å; S64-E66 PolarHBondContact OG-N 2.99Å; S64-E66 PolarHBondContact OG-OE2 3.36Å; E66-V69 VanDerWaalsContact O-CG2 3.31Å; E66-V69 WeakPolarHBondContact O-CG2 3.33Å; E66-S70 WeakPolarHBondContact O-CB 3.36Å; E66-S70 PolarHBondContact O-N 3Å; E66-S70 PolarHBondContact O-OG 3.19Å
67	E	98.3	Very high	97.1	Very high	79 Å²	79	59.8 Å²	59.8	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-46.6	171.5	-172	-170.7	149	0	0	110.4	I63 S64 V69 S70 R71	I63-E67 HydrophobicContact CB-CB 4.48Å; I63-E67 WeakPolarHBondContact CG2-OE1 3.33Å; S64-E67 PolarHBondContact O-N 3.19Å; S64-E67 PolarHBondContact OG-N 2.98Å; E67-V69 VanDerWaalsContact C-N 3.35Å; E67-V69 PolarHBondContact O-N 2.82Å; E67-S70 PolarHBondContact O-N 2.67Å; E67-S70 PolarHBondContact O-OG 2.97Å; E67-R71 HydrophobicContact CG-CG 4.24Å; E67-R71 WeakPolarHBondContact O-CB 3.31Å; E67-R71 WeakPolarHBondContact O-CG 3.49Å; E67-R71 PolarHBondContact O-N 3.09Å; E67-R71 VanDerWaalsContact O-N 3.09Å; E67-R71 IonicContact OE1-NH1 2.72Å; E67-R71 PolarHBondContact OE1-NH1 3.25Å; E67-R71 VanDerWaalsContact OE1-NH1 3.17Å
68	A	98.4	Very high	97.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-40.3	-176.4	0	0	0	0	0	113.3	V16 V49 I63 S64 A65 I74 F93	V16-A68 HydrophobicContact CB-CB 4.39Å; V16-A68 HydrophobicContact CG1-CB 4.2Å; V16-A68 HydrophobicContact CG2-CB 3.98Å; V49-A68 HydrophobicContact CG2-CB 4.2Å; I63-A68 HydrophobicContact CD1-CB 3.79Å; I63-A68 HydrophobicContact CG1-CB 4.39Å; S64-A68 WeakPolarHBondContact O-CB 3.25Å; S64-A68 PolarHBondContact O-N 3.06Å; A65-A68 WeakPolarHBondContact O-CB 3.49Å; A65-A68 PolarHBondContact O-N 3.42Å; A68-I74 HydrophobicContact CB-CD1 4.25Å; A68-F93 HydrophobicContact CB-CE1 4.01Å; A68-F93 HydrophobicContact CB-CZ 3.87Å
69	V	98.4	Very high	97.8	Very high	32 Å²	32	55 Å²	55	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-74.5	-30.7	178.5	-63.7	0	0	0	0	113.1	A65 E66 E67 M92 F93 A96 K98	A65-V69 WeakPolarHBondContact O-CG2 3.18Å; A65-V69 PolarHBondContact O-N 2.96Å; E66-V69 VanDerWaalsContact O-CG2 3.31Å; E66-V69 WeakPolarHBondContact O-CG2 3.33Å; E67-V69 VanDerWaalsContact C-N 3.35Å; E67-V69 PolarHBondContact O-N 2.82Å; V69-M92 HydrophobicContact CG1-CG 4.01Å; V69-M92 HydrophobicContact CG1-SD 4.27Å; V69-F93 HydrophobicContact CG1-CD1 3.78Å; V69-F93 HydrophobicContact CG1-CE1 3.69Å; V69-F93 HydrophobicContact CG1-CE2 4.42Å; V69-F93 HydrophobicContact CG1-CG 4.21Å; V69-F93 HydrophobicContact CG1-CZ 4.03Å; V69-A96 HydrophobicContact CB-CB 3.76Å; V69-A96 HydrophobicContact CG1-CB 4.11Å; V69-K98 WeakPolarHBondContact O-CE 3.16Å
70	S	98.3	Very high	98.1	Very high	88 Å²	88	47.5 Å²	47.5	62%	0.615	24%	0.241	S	C	*	.	H	α-helix	trans	-82.4	-23.1	-177.1	57.9	0	0	0	0	113.7	E66 E67	E66-S70 WeakPolarHBondContact O-CB 3.36Å; E66-S70 PolarHBondContact O-N 3Å; E66-S70 PolarHBondContact O-OG 3.19Å; E67-S70 PolarHBondContact O-N 2.67Å; E67-S70 PolarHBondContact O-OG 2.97Å
71	R	98.4	Very high	98.2	Very high	60 Å²	60	48.3 Å²	48.3	23%	0.226	25%	0.246	C	C	.	.			trans	-69.3	127.3	-179.5	-86	179.2	70.5	164.9	-3.8	113	E67 D73 I74 K98	E67-R71 HydrophobicContact CG-CG 4.24Å; E67-R71 WeakPolarHBondContact O-CB 3.31Å; E67-R71 WeakPolarHBondContact O-CG 3.49Å; E67-R71 PolarHBondContact O-N 3.09Å; E67-R71 VanDerWaalsContact O-N 3.09Å; E67-R71 IonicContact OE1-NH1 2.72Å; E67-R71 PolarHBondContact OE1-NH1 3.25Å; E67-R71 VanDerWaalsContact OE1-NH1 3.17Å; R71-D73 VanDerWaalsContact C-N 3.34Å; R71-D73 WeakPolarHBondContact CB-OD1 3.49Å; R71-D73 IonicContact CZ-OD1 3.32Å; R71-D73 IonicContact CZ-OD2 3.68Å; R71-D73 IonicContact NE-OD1 2.69Å; R71-D73 PolarHBondContact NE-OD1 3.37Å; R71-D73 IonicContact NE-OD2 2.83Å; R71-D73 IonicContact NH2-OD1 3.84Å; R71-D73 PolarHBondContact NH2-OD1 3.02Å; R71-D73 IonicContact NH2-OD2 3.26Å; R71-D73 PolarHBondContact NH2-OD2 3.23Å; R71-I74 HydrophobicContact CB-CB 4.34Å; R71-I74 HydrophobicContact CB-CD1 3.91Å; R71-I74 HydrophobicContact CB-CG1 4.11Å; R71-I74 PolarHBondContact O-N 3.41Å; R71-K98 PolarHBondContact O-NZ 3.26Å
72	E	97.1	Very high	98	Very high	183 Å²	183	42.4 Å²	42.4	86%	0.855	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.4	178.7	-65.1	-174.2	173	0	0	113.2	I74	E72-I74 VanDerWaalsContact C-N 3.28Å
73	D	97.6	Very high	97.9	Very high	57 Å²	57	40.6 Å²	40.6	31%	0.305	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.7	177.7	69.1	-32.7	0	0	0	113.3	G14 Q46 R71 H75	G14-D73 VanDerWaalsContact CA-O 3.28Å; G14-D73 WeakPolarHBondContact CA-O 3.29Å; Q46-D73 VanDerWaalsContact CD-OD2 3.28Å; Q46-D73 PolarHBondContact NE2-OD2 2.98Å; Q46-D73 PolarHBondContact OE1-OD2 2.86Å; R71-D73 VanDerWaalsContact C-N 3.34Å; R71-D73 WeakPolarHBondContact CB-OD1 3.49Å; R71-D73 IonicContact CZ-OD1 3.32Å; R71-D73 IonicContact CZ-OD2 3.68Å; R71-D73 IonicContact NE-OD1 2.69Å; R71-D73 PolarHBondContact NE-OD1 3.37Å; R71-D73 IonicContact NE-OD2 2.83Å; R71-D73 IonicContact NH2-OD1 3.84Å; R71-D73 PolarHBondContact NH2-OD1 3.02Å; R71-D73 IonicContact NH2-OD2 3.26Å; R71-D73 PolarHBondContact NH2-OD2 3.23Å; D73-H75 PolarHBondContact O-CE1 2.97Å; D73-H75 VanDerWaalsContact O-CE1 3.25Å; D73-H75 PolarHBondContact O-ND1 2.95Å; D73-H75 VanDerWaalsContact O-ND1 3.15Å
74	I	98.4	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.			trans	-98.8	121.7	171.2	-65.1	173.3	0	0	0	108.8	V16 Q46 I63 A68 R71 E72 K98	V16-I74 HydrophobicContact CB-CD1 4.29Å; V16-I74 HydrophobicContact CB-CG2 4.17Å; V16-I74 HydrophobicContact CG1-CG2 3.95Å; Q46-I74 HydrophobicContact CB-CD1 4.01Å; Q46-I74 HydrophobicContact CB-CG1 3.65Å; Q46-I74 HydrophobicContact CG-CG1 3.89Å; I63-I74 HydrophobicContact CD1-CD1 3.83Å; A68-I74 HydrophobicContact CB-CD1 4.25Å; R71-I74 HydrophobicContact CB-CB 4.34Å; R71-I74 HydrophobicContact CB-CD1 3.91Å; R71-I74 HydrophobicContact CB-CG1 4.11Å; R71-I74 PolarHBondContact O-N 3.41Å; E72-I74 VanDerWaalsContact C-N 3.28Å; I74-K98 WeakPolarHBondContact O-CD 3.5Å; I74-K98 WeakPolarHBondContact O-CE 3.43Å; I74-K98 PolarHBondContact O-NZ 2.93Å
75	H	98.5	Very high	97.8	Very high	34 Å²	34	42.5 Å²	42.5	16%	0.157	22%	0.22	C	C	.	.			trans	-113.5	-28.3	-175.4	-49.9	82	0	0	0	111.9	R11 L13 G14 D73 H99	R11-H75 PolarHBondContact NH2-NE2 2.97Å; L13-H75 HydrophobicContact CB-CB 4.49Å; L13-H75 HydrophobicContact CD2-CB 4.01Å; G14-H75 PolarHBondContact N-ND1 3.37Å; G14-H75 PolarHBondContact O-N 2.93Å; D73-H75 PolarHBondContact O-CE1 2.97Å; D73-H75 VanDerWaalsContact O-CE1 3.25Å; D73-H75 PolarHBondContact O-ND1 2.95Å; D73-H75 VanDerWaalsContact O-ND1 3.15Å; H75-H99 PolarHBondContact O-CD2 3.33Å; H75-H99 PolarHBondContact O-N 3.36Å
76	A	98.4	Very high	97.8	Very high	10 Å²	10	42 Å²	42	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.4	-177.4	0	0	0	0	0	112.4	G14 A15 V16 F78 H99	G14-A76 PolarHBondContact O-N 3.38Å; A15-A76 CarbonylContact C-O 3.58Å; A15-A76 VanDerWaalsContact CA-O 3.25Å; A15-A76 WeakPolarHBondContact CA-O 3.34Å; V16-A76 PolarHBondContact N-O 3.44Å; A76-F78 HydrophobicContact CB-CE2 4.44Å; A76-H99 CarbonylContact C-O 3.58Å; A76-H99 WeakPolarHBondContact CA-O 3.46Å; A76-H99 HydrophobicContact CB-CB 4.02Å
77	A	98.8	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.1	171.9	0	0	0	0	0	111	V16 I79 F93 H99 V100 C101	V16-A77 HydrophobicContact CG1-CB 3.8Å; V16-A77 WeakPolarHBondContact O-CA 3.41Å; A77-I79 HydrophobicContact CB-CD1 3.96Å; A77-F93 HydrophobicContact CB-CB 4.03Å; A77-F93 HydrophobicContact CB-CD1 3.39Å; A77-F93 HydrophobicContact CB-CD2 3.85Å; A77-F93 HydrophobicContact CB-CE1 3.72Å; A77-F93 HydrophobicContact CB-CE2 4.16Å; A77-F93 HydrophobicContact CB-CG 3.47Å; A77-F93 VanDerWaalsContact CB-CG 3.47Å; A77-F93 HydrophobicContact CB-CZ 4.09Å; A77-H99 PolarHBondContact N-O 2.82Å; A77-V100 WeakPolarHBondContact O-CA 3.39Å; A77-C101 PolarHBondContact O-N 3.29Å
78	F	98.8	Very high	97.8	Very high	25 Å²	25	39.7 Å²	39.7	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.2	174.1	-74.5	-107	0	0	0	108.5	A15 V16 V17 V18 R27 M31 L43 A76 C80 C101	A15-F78 HydrophobicContact CB-CD2 4.16Å; A15-F78 HydrophobicContact CB-CE2 3.99Å; V16-F78 PolarHBondContact O-N 3.29Å; V17-F78 HydrophobicContact CG2-CB 4.31Å; V18-F78 PolarHBondContact N-O 3.35Å; R27-F78 HydrophobicContact CG-CD1 4.43Å; M31-F78 HydrophobicContact CE-CB 4.4Å; M31-F78 HydrophobicContact CE-CD1 3.66Å; M31-F78 HydrophobicContact CE-CD2 3.43Å; M31-F78 VanDerWaalsContact CE-CD2 3.43Å; M31-F78 HydrophobicContact CE-CE1 3.64Å; M31-F78 HydrophobicContact CE-CE2 3.42Å; M31-F78 VanDerWaalsContact CE-CE2 3.42Å; M31-F78 HydrophobicContact CE-CG 3.55Å; M31-F78 HydrophobicContact CE-CZ 3.53Å; M31-F78 HydrophobicContact SD-CE2 4.42Å; L43-F78 HydrophobicContact CD1-CE2 4.17Å; L43-F78 HydrophobicContact CD1-CZ 3.73Å; A76-F78 HydrophobicContact CB-CE2 4.44Å; F78-C80 PolarHBondContact O-N 3.03Å; F78-C101 CarbonylContact C-O 3.6Å; F78-C101 VanDerWaalsContact CA-O 3.26Å; F78-C101 WeakPolarHBondContact CA-O 3.49Å; F78-C101 HydrophobicContact CD1-CB 3.78Å; F78-C101 HydrophobicContact CE1-CB 3.86Å; F78-C101 HydrophobicContact CG-CB 4.21Å; F78-C101 HydrophobicContact CZ-CB 4.33Å
79	I	98.8	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.2	-174.8	-48.3	-51.7	0	0	0	108.9	V18 A77 F89 V90 F93 V100 C101 V102 E103	V18-I79 HydrophobicContact CB-CD1 3.76Å; V18-I79 HydrophobicContact CG1-CD1 4.35Å; V18-I79 HydrophobicContact CG2-CD1 3.64Å; A77-I79 HydrophobicContact CB-CD1 3.96Å; I79-F89 HydrophobicContact CD1-CB 3.92Å; I79-F89 HydrophobicContact CG1-CB 4.37Å; I79-F89 HydrophobicContact CG2-CB 3.94Å; I79-V90 HydrophobicContact CG1-CG2 4.09Å; I79-F93 HydrophobicContact CD1-CD2 3.97Å; I79-F93 HydrophobicContact CD1-CE2 4.26Å; I79-V100 HydrophobicContact CG1-CG1 3.84Å; I79-C101 PolarHBondContact N-O 3.47Å; I79-V102 HydrophobicContact CB-CB 3.97Å; I79-V102 HydrophobicContact CB-CG2 3.84Å; I79-V102 HydrophobicContact CG1-CB 4.44Å; I79-V102 HydrophobicContact CG2-CG2 4.08Å; I79-E103 PolarHBondContact O-N 3.3Å
80	C	98.3	Very high	97.8	Very high	8 Å²	8	40 Å²	40	5%	0.054	21%	0.208	C	C	.	.			trans	-128.7	29	-171.5	-51.6	0	0	0	0	111.2	V18 A23 F78 E103	V18-C80 CarbonylContact O-C 3.56Å; V18-C80 WeakPolarHBondContact O-CA 3.14Å; V18-C80 PolarHBondContact O-N 3.25Å; A23-C80 HydrophobicContact CB-CB 4.1Å; F78-C80 PolarHBondContact O-N 3.03Å; C80-E103 HydrophobicContact CB-CG 4.34Å
81	T	96.9	Very high	97.9	Very high	26 Å²	26	38.8 Å²	38.8	16%	0.16	19%	0.19	C	C	.	.	S	Bend	trans	-83.8	-169.6	178.4	50	0	0	0	0	110.6	V18 S85 H86 F89	V18-T81 HydrophobicContact CG1-CG2 3.96Å; V18-T81 PolarHBondContact O-N 2.97Å; T81-S85 WeakPolarHBondContact CB-OG 3.25Å; T81-S85 PolarHBondContact OG1-OG 2.78Å; T81-H86 PolarHBondContact O-NE2 2.82Å; T81-H86 PolarHBondContact OG1-CD2 2.82Å; T81-F89 HydrophobicContact CG2-CD2 4.14Å; T81-F89 HydrophobicContact CG2-CE2 3.93Å
82	E	94.8	Very high	97.9	Very high	36 Å²	36	39.2 Å²	39.2	17%	0.168	20%	0.195	C	C	.	.			trans	-71.3	151.6	166.5	62.4	-83.2	-170.9	0	0	112.2	R51 D84 S85 H86	R51-E82 IonicContact CZ-OE1 2.77Å; R51-E82 IonicContact CZ-OE2 2.77Å; R51-E82 IonicContact NE-OE1 2.69Å; R51-E82 IonicContact NH1-OE1 3.83Å; R51-E82 PolarHBondContact NH1-OE1 2.87Å; R51-E82 IonicContact NH2-OE1 3.75Å; R51-E82 PolarHBondContact NH2-OE1 2.85Å; R51-E82 IonicContact NH2-OE2 2.84Å; R51-E82 PolarHBondContact NH2-OE2 2.87Å; E82-D84 VanDerWaalsContact C-N 3.31Å; E82-D84 WeakPolarHBondContact CG-OD1 3.42Å; E82-D84 PolarHBondContact O-N 3.42Å; E82-S85 PolarHBondContact O-N 3.48Å; E82-S85 PolarHBondContact O-OG 2.86Å; E82-H86 PolarHBondContact O-CD2 3.5Å
83	N	96	Very high	98	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-36.9	-169.2	-56.8	-4.1	0	0	0	114.1	S85 H86 P105 L108 G166 F167	N83-S85 PolarHBondContact O-N 2.68Å; N83-H86 WeakPolarHBondContact O-CB 3.3Å; N83-H86 PolarHBondContact O-N 3.3Å; N83-P105 HydrophobicContact CB-CG 4.15Å; N83-P105 VanDerWaalsContact ND2-CD 3.31Å; N83-P105 WeakPolarHBondContact ND2-CD 3.2Å; N83-L108 HydrophobicContact CB-CD1 4.5Å; N83-L108 HydrophobicContact CB-CD2 4.1Å; N83-L108 HydrophobicContact CB-CG 4.48Å; N83-G166 WeakPolarHBondContact CB-O 3.2Å; N83-G166 PolarHBondContact N-O 3.31Å; N83-F167 PolarHBondContact ND2-O 3.27Å
84	D	96	Very high	98	Very high	88 Å²	88	27.8 Å²	27.8	47%	0.471	14%	0.14	S	C	.	.	H	α-helix	trans	-68.2	-18.9	-179.4	66.7	-0.7	0	0	0	113.9	E82 L108 G166	E82-D84 VanDerWaalsContact C-N 3.31Å; E82-D84 WeakPolarHBondContact CG-OD1 3.42Å; E82-D84 PolarHBondContact O-N 3.42Å; D84-L108 HydrophobicContact CB-CD1 4.07Å; D84-G166 PolarHBondContact N-O 3.4Å; D84-G166 WeakPolarHBondContact OD2-CA 3.44Å
85	S	96.8	Very high	98	Very high	16 Å²	16	32.9 Å²	32.9	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-97.3	-8.5	178.4	69.8	0	0	0	0	113.8	T81 E82 N83 E87 D88 F89	T81-S85 WeakPolarHBondContact CB-OG 3.25Å; T81-S85 PolarHBondContact OG1-OG 2.78Å; E82-S85 PolarHBondContact O-N 3.48Å; E82-S85 PolarHBondContact O-OG 2.86Å; N83-S85 PolarHBondContact O-N 2.68Å; S85-E87 PolarHBondContact O-N 2.86Å; S85-D88 PolarHBondContact O-N 2.8Å; S85-F89 WeakPolarHBondContact O-CD2 3.39Å; S85-F89 PolarHBondContact O-N 3.45Å
86	H	98.4	Very high	98.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-47.7	-176.7	-73.9	-176.2	0	0	0	111.7	T81 E82 N83 D88 F89 V90 V102 E103 P105 M106	T81-H86 PolarHBondContact O-NE2 2.82Å; T81-H86 PolarHBondContact OG1-CD2 2.82Å; E82-H86 PolarHBondContact O-CD2 3.5Å; N83-H86 WeakPolarHBondContact O-CB 3.3Å; N83-H86 PolarHBondContact O-N 3.3Å; H86-D88 VanDerWaalsContact C-N 3.32Å; H86-D88 PolarHBondContact O-N 3.06Å; H86-F89 PolarHBondContact O-N 2.88Å; H86-V90 WeakPolarHBondContact O-CB 3.44Å; H86-V90 WeakPolarHBondContact O-CG2 3.17Å; H86-V90 PolarHBondContact O-N 3.23Å; H86-V102 HydrophobicContact CB-CG2 4.05Å; H86-E103 PolarHBondContact CE1-O 2.83Å; H86-E103 PolarHBondContact ND1-O 3.25Å; H86-P105 PolarHBondContact ND1-O 2.45Å; H86-M106 WeakPolarHBondContact CB-O 3.25Å
87	E	98.5	Very high	98.1	Very high	54 Å²	54	34.6 Å²	34.6	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-55.2	-46.8	-176.5	-175.9	-174.5	143.6	0	0	112.3	S85 R91 A112 L116	S85-E87 PolarHBondContact O-N 2.86Å; E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.26Å; E87-R91 PolarHBondContact O-N 3.03Å; E87-R91 IonicContact OE1-CZ 3.61Å; E87-R91 IonicContact OE1-NH1 3.86Å; E87-R91 PolarHBondContact OE1-NH1 3.44Å; E87-R91 IonicContact OE1-NH2 2.88Å; E87-R91 PolarHBondContact OE1-NH2 2.93Å; E87-A112 VanDerWaalsContact CD-CB 3.46Å; E87-A112 HydrophobicContact CG-CB 4.11Å; E87-A112 WeakPolarHBondContact OE2-CB 3.46Å; E87-L116 HydrophobicContact CG-CD1 4.27Å
88	D	98.4	Very high	98.1	Very high	102 Å²	102	35.6 Å²	35.6	55%	0.545	19%	0.192	S	C	.	.	H	α-helix	trans	-66.7	-44.5	-177.2	-73.9	-19.4	0	0	0	111.8	S85 H86 R91 M92	S85-D88 PolarHBondContact O-N 2.8Å; H86-D88 VanDerWaalsContact C-N 3.32Å; H86-D88 PolarHBondContact O-N 3.06Å; D88-R91 IonicContact OD1-NH1 3.17Å; D88-R91 PolarHBondContact OD1-NH1 3.3Å; D88-M92 VanDerWaalsContact O-CB 3.25Å; D88-M92 WeakPolarHBondContact O-CB 3.39Å; D88-M92 PolarHBondContact O-N 2.76Å
89	F	98.7	Very high	98	Very high	39 Å²	39	37.4 Å²	37.4	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-68.9	-44.3	177.1	-78.1	-62.9	0	0	0	112.1	V18 A65 I79 T81 S85 H86 R91 M92 F93	V18-F89 HydrophobicContact CG1-CB 4.48Å; V18-F89 HydrophobicContact CG1-CD1 3.63Å; V18-F89 HydrophobicContact CG1-CD2 3.94Å; V18-F89 HydrophobicContact CG1-CE1 3.69Å; V18-F89 HydrophobicContact CG1-CE2 4Å; V18-F89 HydrophobicContact CG1-CG 3.76Å; V18-F89 HydrophobicContact CG1-CZ 3.88Å; A65-F89 HydrophobicContact CB-CE1 4.25Å; I79-F89 HydrophobicContact CD1-CB 3.92Å; I79-F89 HydrophobicContact CG1-CB 4.37Å; I79-F89 HydrophobicContact CG2-CB 3.94Å; T81-F89 HydrophobicContact CG2-CD2 4.14Å; T81-F89 HydrophobicContact CG2-CE2 3.93Å; S85-F89 WeakPolarHBondContact O-CD2 3.39Å; S85-F89 PolarHBondContact O-N 3.45Å; H86-F89 PolarHBondContact O-N 2.88Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.3Å; F89-M92 HydrophobicContact CD1-SD 4.5Å; F89-M92 PolarHBondContact O-N 3.29Å; F89-F93 HydrophobicContact CD1-CE2 4.37Å; F89-F93 VanDerWaalsContact O-CD2 3.3Å; F89-F93 WeakPolarHBondContact O-CD2 3.31Å; F89-F93 PolarHBondContact O-N 3.03Å
90	V	98.9	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.4	-49.8	177.1	174.7	0	0	0	0	109.5	I79 H86 M92 F93 L94 V100 V102 L116 L127	I79-V90 HydrophobicContact CG1-CG2 4.09Å; H86-V90 WeakPolarHBondContact O-CB 3.44Å; H86-V90 WeakPolarHBondContact O-CG2 3.17Å; H86-V90 PolarHBondContact O-N 3.23Å; V90-M92 PolarHBondContact O-N 3.42Å; V90-F93 PolarHBondContact O-N 3.06Å; V90-L94 HydrophobicContact CG1-CD1 3.66Å; V90-L94 HydrophobicContact CG1-CG 4.16Å; V90-L94 WeakPolarHBondContact O-CB 3.42Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 2.95Å; V90-V100 HydrophobicContact CB-CG1 4.37Å; V90-V100 HydrophobicContact CG1-CG1 4.08Å; V90-V100 HydrophobicContact CG2-CG1 3.97Å; V90-V102 HydrophobicContact CG2-CB 3.88Å; V90-V102 HydrophobicContact CG2-CG1 4.1Å; V90-V102 HydrophobicContact CG2-CG2 3.85Å; V90-L116 HydrophobicContact CB-CD1 4.1Å; V90-L116 HydrophobicContact CB-CD2 4.41Å; V90-L116 HydrophobicContact CG1-CB 4.35Å; V90-L116 HydrophobicContact CG1-CD1 3.85Å; V90-L116 HydrophobicContact CG1-CD2 4.03Å; V90-L116 HydrophobicContact CG1-CG 4.28Å; V90-L127 HydrophobicContact CG1-CD1 3.65Å
91	R	98.8	Very high	98.1	Very high	62 Å²	62	38 Å²	38	23%	0.234	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-50.6	176.5	-176.1	179.4	-65	116.1	-0.6	111.9	E87 D88 F89 F93 L94 E95 L116 L119	E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.26Å; E87-R91 PolarHBondContact O-N 3.03Å; E87-R91 IonicContact OE1-CZ 3.61Å; E87-R91 IonicContact OE1-NH1 3.86Å; E87-R91 PolarHBondContact OE1-NH1 3.44Å; E87-R91 IonicContact OE1-NH2 2.88Å; E87-R91 PolarHBondContact OE1-NH2 2.93Å; D88-R91 IonicContact OD1-NH1 3.17Å; D88-R91 PolarHBondContact OD1-NH1 3.3Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.3Å; R91-F93 VanDerWaalsContact C-N 3.33Å; R91-F93 PolarHBondContact O-N 3.44Å; R91-L94 PolarHBondContact O-N 3.3Å; R91-E95 HydrophobicContact CG-CG 4.28Å; R91-E95 WeakPolarHBondContact O-CB 3.25Å; R91-E95 WeakPolarHBondContact O-CG 3.3Å; R91-E95 PolarHBondContact O-N 3.15Å; R91-L116 HydrophobicContact CB-CD2 3.81Å; R91-L119 HydrophobicContact CG-CD2 4.15Å
92	M	98.8	Very high	98.2	Very high	68 Å²	68	36.7 Å²	36.7	34%	0.335	20%	0.197	S	C	.	.	H	α-helix	trans	-55.3	-46.2	-178.4	-177.8	-169.1	-66.3	0	0	112.2	A65 V69 D88 F89 V90 A96	A65-M92 HydrophobicContact CB-SD 3.85Å; V69-M92 HydrophobicContact CG1-CG 4.01Å; V69-M92 HydrophobicContact CG1-SD 4.27Å; D88-M92 VanDerWaalsContact O-CB 3.25Å; D88-M92 WeakPolarHBondContact O-CB 3.39Å; D88-M92 PolarHBondContact O-N 2.76Å; F89-M92 HydrophobicContact CD1-SD 4.5Å; F89-M92 PolarHBondContact O-N 3.29Å; V90-M92 PolarHBondContact O-N 3.42Å; M92-A96 PolarHBondContact O-N 3.34Å
93	F	98.9	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74.5	-37.5	-179.3	-81.8	-81.5	0	0	0	112.9	V16 V18 A68 V69 A77 I79 F89 V90 R91 A96 G97 K98 V100	V16-F93 HydrophobicContact CG1-CE1 3.6Å; V16-F93 HydrophobicContact CG1-CZ 3.76Å; V18-F93 HydrophobicContact CG2-CE2 3.6Å; V18-F93 HydrophobicContact CG2-CZ 3.86Å; A68-F93 HydrophobicContact CB-CE1 4.01Å; A68-F93 HydrophobicContact CB-CZ 3.87Å; V69-F93 HydrophobicContact CG1-CD1 3.78Å; V69-F93 HydrophobicContact CG1-CE1 3.69Å; V69-F93 HydrophobicContact CG1-CE2 4.42Å; V69-F93 HydrophobicContact CG1-CG 4.21Å; V69-F93 HydrophobicContact CG1-CZ 4.03Å; A77-F93 HydrophobicContact CB-CB 4.03Å; A77-F93 HydrophobicContact CB-CD1 3.39Å; A77-F93 HydrophobicContact CB-CD2 3.85Å; A77-F93 HydrophobicContact CB-CE1 3.72Å; A77-F93 HydrophobicContact CB-CE2 4.16Å; A77-F93 HydrophobicContact CB-CG 3.47Å; A77-F93 VanDerWaalsContact CB-CG 3.47Å; A77-F93 HydrophobicContact CB-CZ 4.09Å; I79-F93 HydrophobicContact CD1-CD2 3.97Å; I79-F93 HydrophobicContact CD1-CE2 4.26Å; F89-F93 HydrophobicContact CD1-CE2 4.37Å; F89-F93 VanDerWaalsContact O-CD2 3.3Å; F89-F93 WeakPolarHBondContact O-CD2 3.31Å; F89-F93 PolarHBondContact O-N 3.03Å; V90-F93 PolarHBondContact O-N 3.06Å; R91-F93 VanDerWaalsContact C-N 3.33Å; R91-F93 PolarHBondContact O-N 3.44Å; F93-A96 PolarHBondContact O-N 2.92Å; F93-G97 PolarHBondContact O-N 2.67Å; F93-K98 HydrophobicContact CB-CB 4.3Å; F93-K98 HydrophobicContact CD1-CB 4.14Å; F93-K98 HydrophobicContact CD1-CG 3.97Å; F93-K98 WeakPolarHBondContact O-CB 3.13Å; F93-K98 PolarHBondContact O-N 3.44Å; F93-V100 HydrophobicContact CB-CG2 3.62Å
94	L	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-41.2	173.9	-68.1	176.9	0	0	0	111.7	V90 R91 A96 G97 V100 L116 L119 A120 K123 V125 L127	V90-L94 HydrophobicContact CG1-CD1 3.66Å; V90-L94 HydrophobicContact CG1-CG 4.16Å; V90-L94 WeakPolarHBondContact O-CB 3.42Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 2.95Å; R91-L94 PolarHBondContact O-N 3.3Å; L94-A96 PolarHBondContact O-N 2.95Å; L94-G97 PolarHBondContact O-N 3.49Å; L94-V100 HydrophobicContact CD2-CB 4.14Å; L94-V100 HydrophobicContact CD2-CG2 3.76Å; L94-V100 HydrophobicContact CG-CG2 3.93Å; L94-L116 HydrophobicContact CD1-CB 4.41Å; L94-L116 HydrophobicContact CD1-CD2 4.46Å; L94-L116 WeakPolarHBondContact CD1-O 3.39Å; L94-L119 HydrophobicContact CB-CD2 3.71Å; L94-L119 HydrophobicContact CB-CG 3.96Å; L94-L119 HydrophobicContact CD1-CD2 4.17Å; L94-L119 HydrophobicContact CD1-CG 4.37Å; L94-A120 HydrophobicContact CD1-CB 4.13Å; L94-A120 HydrophobicContact CD2-CB 3.87Å; L94-K123 WeakPolarHBondContact O-CD 3.45Å; L94-K123 WeakPolarHBondContact O-CG 3.3Å; L94-V125 HydrophobicContact CD2-CG2 3.45Å; L94-V125 VanDerWaalsContact CD2-CG2 3.45Å; L94-L127 HydrophobicContact CD1-CD1 4.39Å; L94-L127 HydrophobicContact CD1-CD2 4.15Å; L94-L127 HydrophobicContact CD2-CB 4.43Å
95	E	98.8	Very high	98.4	Very high	107 Å²	107	34.1 Å²	34.1	50%	0.5	18%	0.179	S	C	.	.	H	α-helix	trans	-60	-36.4	176.1	-77.6	179.6	173.5	0	0	112.2	R91 G97 L119 K123	R91-E95 HydrophobicContact CG-CG 4.28Å; R91-E95 WeakPolarHBondContact O-CB 3.25Å; R91-E95 WeakPolarHBondContact O-CG 3.3Å; R91-E95 PolarHBondContact O-N 3.15Å; E95-G97 PolarHBondContact O-N 3.05Å; E95-L119 HydrophobicContact CG-CD1 4.43Å; E95-L119 HydrophobicContact CG-CD2 4.01Å; E95-K123 PolarHBondContact O-NZ 3.02Å
96	A	98.6	Very high	98.5	Very high	43 Å²	43	33.5 Å²	33.5	36%	0.355	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.9	173.9	0	0	0	0	0	114.3	V69 M92 F93 L94 K98	V69-A96 HydrophobicContact CB-CB 3.76Å; V69-A96 HydrophobicContact CG1-CB 4.11Å; M92-A96 PolarHBondContact O-N 3.34Å; F93-A96 PolarHBondContact O-N 2.92Å; L94-A96 PolarHBondContact O-N 2.95Å; A96-K98 VanDerWaalsContact C-N 3.34Å; A96-K98 HydrophobicContact CB-CG 4.16Å
97	G	98.6	Very high	98.4	Very high	38 Å²	38	33.8 Å²	33.8	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	26.9	179.3	0	0	0	0	0	113.6	F93 L94 E95 V125	F93-G97 PolarHBondContact O-N 2.67Å; L94-G97 PolarHBondContact O-N 3.49Å; E95-G97 PolarHBondContact O-N 3.05Å; G97-V125 WeakPolarHBondContact O-CG1 3.49Å
98	K	98.7	Very high	98.4	Very high	21 Å²	21	33.8 Å²	33.8	9%	0.091	18%	0.179	C	C	.	.			trans	-92.8	147.6	174.6	-48.7	-57.1	-171.4	177.1	0	110.2	V69 R71 I74 F93 A96	V69-K98 WeakPolarHBondContact O-CE 3.16Å; R71-K98 PolarHBondContact O-NZ 3.26Å; I74-K98 WeakPolarHBondContact O-CD 3.5Å; I74-K98 WeakPolarHBondContact O-CE 3.43Å; I74-K98 PolarHBondContact O-NZ 2.93Å; F93-K98 HydrophobicContact CB-CB 4.3Å; F93-K98 HydrophobicContact CD1-CB 4.14Å; F93-K98 HydrophobicContact CD1-CG 3.97Å; F93-K98 WeakPolarHBondContact O-CB 3.13Å; F93-K98 PolarHBondContact O-N 3.44Å; A96-K98 VanDerWaalsContact C-N 3.34Å; A96-K98 HydrophobicContact CB-CG 4.16Å
99	H	98.7	Very high	98.3	Very high	62 Å²	62	31.3 Å²	31.3	29%	0.287	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	147	166.1	-59.2	-81.5	0	0	0	109.6	H75 A76 A77 V126	H75-H99 PolarHBondContact O-CD2 3.33Å; H75-H99 PolarHBondContact O-N 3.36Å; A76-H99 CarbonylContact C-O 3.58Å; A76-H99 WeakPolarHBondContact CA-O 3.46Å; A76-H99 HydrophobicContact CB-CB 4.02Å; A77-H99 PolarHBondContact N-O 2.82Å; H99-V126 CarbonylContact C-O 3.49Å; H99-V126 WeakPolarHBondContact CA-O 3.24Å; H99-V126 HydrophobicContact CB-CB 4.42Å; H99-V126 WeakPolarHBondContact ND1-CB 3.37Å; H99-V126 PolarHBondContact ND1-N 3.39Å
100	V	98.9	Very high	98.2	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.4	-179	179.3	0	0	0	0	110.7	A77 I79 V90 F93 L94 V102 V126 L127 H128	A77-V100 WeakPolarHBondContact O-CA 3.39Å; I79-V100 HydrophobicContact CG1-CG1 3.84Å; V90-V100 HydrophobicContact CB-CG1 4.37Å; V90-V100 HydrophobicContact CG1-CG1 4.08Å; V90-V100 HydrophobicContact CG2-CG1 3.97Å; F93-V100 HydrophobicContact CB-CG2 3.62Å; L94-V100 HydrophobicContact CD2-CB 4.14Å; L94-V100 HydrophobicContact CD2-CG2 3.76Å; L94-V100 HydrophobicContact CG-CG2 3.93Å; V100-V102 HydrophobicContact CG1-CB 4.5Å; V100-V126 PolarHBondContact N-O 3.33Å; V100-L127 HydrophobicContact CB-CD1 3.94Å; V100-L127 HydrophobicContact CG1-CD1 3.98Å; V100-L127 CarbonylContact O-C 3.52Å; V100-L127 WeakPolarHBondContact O-CA 3.39Å; V100-H128 PolarHBondContact O-N 3.44Å
101	C	98.7	Very high	98.2	Very high	17 Å²	17	45.2 Å²	45.2	12%	0.115	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128	163.5	177.8	0	0	0	0	107.2	A77 F78 I79 H128	A77-C101 PolarHBondContact O-N 3.29Å; F78-C101 CarbonylContact C-O 3.6Å; F78-C101 VanDerWaalsContact CA-O 3.26Å; F78-C101 WeakPolarHBondContact CA-O 3.49Å; F78-C101 HydrophobicContact CD1-CB 3.78Å; F78-C101 HydrophobicContact CE1-CB 3.86Å; F78-C101 HydrophobicContact CG-CB 4.21Å; F78-C101 HydrophobicContact CZ-CB 4.33Å; I79-C101 PolarHBondContact N-O 3.47Å; C101-H128 CarbonylContact C-O 3.58Å; C101-H128 VanDerWaalsContact CA-O 3.31Å; C101-H128 WeakPolarHBondContact CA-O 3.36Å
102	V	98.8	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.5	-178	56.1	0	0	0	0	110	I79 H86 V90 V100 M106 L127 H128 E129 E130	I79-V102 HydrophobicContact CB-CB 3.97Å; I79-V102 HydrophobicContact CB-CG2 3.84Å; I79-V102 HydrophobicContact CG1-CB 4.44Å; I79-V102 HydrophobicContact CG2-CG2 4.08Å; H86-V102 HydrophobicContact CB-CG2 4.05Å; V90-V102 HydrophobicContact CG2-CB 3.88Å; V90-V102 HydrophobicContact CG2-CG1 4.1Å; V90-V102 HydrophobicContact CG2-CG2 3.85Å; V100-V102 HydrophobicContact CG1-CB 4.5Å; V102-M106 HydrophobicContact CG1-CB 3.89Å; V102-M106 HydrophobicContact CG1-CE 4.08Å; V102-M106 HydrophobicContact CG1-CG 3.88Å; V102-L127 HydrophobicContact CG1-CD1 4.5Å; V102-H128 PolarHBondContact N-O 3.29Å; V102-E129 HydrophobicContact CG1-CB 4.42Å; V102-E129 CarbonylContact O-C 3.52Å; V102-E129 WeakPolarHBondContact O-CA 3.42Å; V102-E130 PolarHBondContact O-N 3.44Å
103	E	98.3	Very high	98.1	Very high	26 Å²	26	40.4 Å²	40.4	12%	0.121	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	145	172.8	-54.8	-61.9	163.8	0	0	110.3	A23 R27 I79 C80 H86 P105	A23-E103 HydrophobicContact CB-CG 4.04Å; R27-E103 IonicContact CZ-OE1 3.62Å; R27-E103 VanDerWaalsContact CZ-OE1 3.24Å; R27-E103 IonicContact NE-OE1 3.46Å; R27-E103 PolarHBondContact NE-OE1 3.15Å; R27-E103 VanDerWaalsContact NH2-CD 3.32Å; R27-E103 IonicContact NH2-OE1 2.8Å; R27-E103 PolarHBondContact NH2-OE1 3Å; R27-E103 IonicContact NH2-OE2 3.11Å; R27-E103 PolarHBondContact NH2-OE2 2.69Å; I79-E103 PolarHBondContact O-N 3.3Å; C80-E103 HydrophobicContact CB-CG 4.34Å; H86-E103 PolarHBondContact CE1-O 2.83Å; H86-E103 PolarHBondContact ND1-O 3.25Å; E103-P105 CarbonylContact O-C 3.32Å
104	Y	96.8	Very high	98.1	Very high	56 Å²	56	42 Å²	42	22%	0.22	23%	0.225	C	C	.	.	S	Bend	trans	-64	149.4	175	71.9	-94.6	0	0	0	111.7	E130 I132 I175 A176	Y104-E130 VanDerWaalsContact CB-O 3.3Å; Y104-E130 WeakPolarHBondContact CB-O 3.38Å; Y104-E130 VanDerWaalsContact CD1-O 3.28Å; Y104-E130 WeakPolarHBondContact CD1-O 3.49Å; Y104-E130 PolarHBondContact N-O 2.86Å; Y104-I132 HydrophobicContact CE1-CG2 4.38Å; Y104-I175 HydrophobicContact CD2-CG2 3.64Å; Y104-I175 HydrophobicContact CE2-CG2 4.4Å; Y104-I175 HydrophobicContact CG-CG2 4.31Å; Y104-A176 HydrophobicContact CE1-CB 4.36Å; Y104-A176 HydrophobicContact CE2-CB 3.88Å
105	P	97.6	Very high	98.1	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.013	25%	0.246	C	C	.	.	P	Polyproline II helix	cis	-78	141.5	-14.9	33	-33.6	0	0	0	111.3	N83 H86 E103 A107 L108 E129 F172 I175	N83-P105 HydrophobicContact CB-CG 4.15Å; N83-P105 VanDerWaalsContact ND2-CD 3.31Å; N83-P105 WeakPolarHBondContact ND2-CD 3.2Å; H86-P105 PolarHBondContact ND1-O 2.45Å; E103-P105 CarbonylContact O-C 3.32Å; P105-A107 VanDerWaalsContact C-N 3.26Å; P105-A107 PolarHBondContact O-N 3.32Å; P105-L108 HydrophobicContact CG-CD2 3.9Å; P105-E129 VanDerWaalsContact CA-OE1 3.3Å; P105-E129 WeakPolarHBondContact CA-OE1 3.33Å; P105-F172 HydrophobicContact CG-CB 4.2Å; P105-I175 HydrophobicContact CB-CG2 4.35Å
106	M	97.6	Very high	98.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	-58.5	-37.2	176.9	172	-175	-49.8	0	0	112.4	H86 V102 L116 L127 E129	H86-M106 WeakPolarHBondContact CB-O 3.25Å; V102-M106 HydrophobicContact CG1-CB 3.89Å; V102-M106 HydrophobicContact CG1-CE 4.08Å; V102-M106 HydrophobicContact CG1-CG 3.88Å; M106-L116 HydrophobicContact CG-CD1 3.93Å; M106-L116 HydrophobicContact SD-CB 4.14Å; M106-L116 HydrophobicContact SD-CD1 4Å; M106-L127 HydrophobicContact CE-CD1 3.88Å; M106-L127 HydrophobicContact CE-CD2 3.75Å; M106-L127 HydrophobicContact CE-CG 3.66Å; M106-L127 HydrophobicContact SD-CD1 4.29Å; M106-L127 HydrophobicContact SD-CD2 3.73Å; M106-L127 HydrophobicContact SD-CG 4.24Å; M106-E129 HydrophobicContact CB-CB 4.43Å; M106-E129 HydrophobicContact CB-CG 4.09Å; M106-E129 HydrophobicContact CE-CB 3.78Å; M106-E129 PolarHBondContact N-OE1 3.46Å
107	A	97.6	Very high	98.1	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	23%	0.226	C	C	.	.			trans	-151.2	157.4	178.3	0	0	0	0	0	110.5	P105 S109 A112 A113	P105-A107 VanDerWaalsContact C-N 3.26Å; P105-A107 PolarHBondContact O-N 3.32Å; A107-S109 VanDerWaalsContact C-N 3.26Å; A107-S109 PolarHBondContact O-N 3.26Å; A107-A112 HydrophobicContact CB-CB 3.88Å; A107-A113 HydrophobicContact CB-CB 4.28Å
108	L	96.8	Very high	98.1	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.288	24%	0.237	S	C	.	.	S	Bend	trans	-92.6	18.5	176.7	-60.4	-179.5	0	0	0	112.7	N83 D84 P105 F172	N83-L108 HydrophobicContact CB-CD1 4.5Å; N83-L108 HydrophobicContact CB-CD2 4.1Å; N83-L108 HydrophobicContact CB-CG 4.48Å; D84-L108 HydrophobicContact CB-CD1 4.07Å; P105-L108 HydrophobicContact CG-CD2 3.9Å; L108-F172 HydrophobicContact CD2-CB 3.6Å; L108-F172 HydrophobicContact CD2-CD1 4.28Å; L108-F172 HydrophobicContact CD2-CG 3.94Å; L108-F172 WeakPolarHBondContact O-CZ 3.16Å
109	S	97.1	Very high	98.1	Very high	50 Å²	50	49 Å²	49	35%	0.35	24%	0.24	S	C	.	.	S	Bend	trans	-151.2	136.9	177.2	172.2	0	0	0	0	110.4	A107 Q111 A112 A113	A107-S109 VanDerWaalsContact C-N 3.26Å; A107-S109 PolarHBondContact O-N 3.26Å; S109-Q111 VanDerWaalsContact C-N 3.31Å; S109-Q111 PolarHBondContact O-N 2.81Å; S109-Q111 PolarHBondContact OG-N 3.05Å; S109-A112 PolarHBondContact O-N 3.47Å; S109-A113 PolarHBondContact O-N 2.84Å
110	Y	96.4	Very high	98.1	Very high	201 Å²	201	46 Å²	46	79%	0.788	23%	0.227	S	C	*	.	H	α-helix	trans	-57.8	-43.7	172.7	169.1	-100.5	0	0	0	112	A112 A113 A114	Y110-A112 VanDerWaalsContact C-N 3.3Å; Y110-A112 PolarHBondContact O-N 2.78Å; Y110-A113 PolarHBondContact O-N 2.93Å; Y110-A114 WeakPolarHBondContact O-CB 3.26Å; Y110-A114 PolarHBondContact O-N 3.45Å
111	Q	98.3	Very high	98.1	Very high	130 Å²	130	52 Å²	52	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-61.8	-41.5	-178.7	-178.1	179.6	-2.6	0	0	111.3	S109 Q115	S109-Q111 VanDerWaalsContact C-N 3.31Å; S109-Q111 PolarHBondContact O-N 2.81Å; S109-Q111 PolarHBondContact OG-N 3.05Å; Q111-Q115 VanDerWaalsContact O-CG 3.25Å; Q111-Q115 WeakPolarHBondContact O-CG 3.36Å; Q111-Q115 PolarHBondContact O-N 3.16Å
112	A	98.3	Very high	98.1	Very high	5 Å²	5	60 Å²	60	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-49.1	176.4	0	0	0	0	0	111.3	E87 A107 S109 Y110 A114 Q115 L116	E87-A112 VanDerWaalsContact CD-CB 3.46Å; E87-A112 HydrophobicContact CG-CB 4.11Å; E87-A112 WeakPolarHBondContact OE2-CB 3.46Å; A107-A112 HydrophobicContact CB-CB 3.88Å; S109-A112 PolarHBondContact O-N 3.47Å; Y110-A112 VanDerWaalsContact C-N 3.3Å; Y110-A112 PolarHBondContact O-N 2.78Å; A112-A114 VanDerWaalsContact C-N 3.31Å; A112-A114 PolarHBondContact O-N 2.89Å; A112-Q115 PolarHBondContact O-N 3.41Å; A112-Q115 VanDerWaalsContact O-N 3.15Å; A112-L116 VanDerWaalsContact O-CG 3.32Å; A112-L116 WeakPolarHBondContact O-CG 3.32Å; A112-L116 PolarHBondContact O-N 3.14Å
113	A	98.3	Very high	98	Very high	24 Å²	24	64.4 Å²	64.4	20%	0.198	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-44.2	177.2	0	0	0	0	0	112.2	A107 S109 Y110 Q115 L116 W117	A107-A113 HydrophobicContact CB-CB 4.28Å; S109-A113 PolarHBondContact O-N 2.84Å; Y110-A113 PolarHBondContact O-N 2.93Å; A113-Q115 PolarHBondContact O-N 2.89Å; A113-L116 PolarHBondContact O-N 3.21Å; A113-W117 PolarHBondContact O-N 3.06Å
114	A	98.5	Very high	98	Very high	33 Å²	33	66.3 Å²	66.3	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.4	0	0	0	0	0	112.2	Y110 A112 L116 W117 D118	Y110-A114 WeakPolarHBondContact O-CB 3.26Å; Y110-A114 PolarHBondContact O-N 3.45Å; A112-A114 VanDerWaalsContact C-N 3.31Å; A112-A114 PolarHBondContact O-N 2.89Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 2.85Å; A114-W117 PolarHBondContact O-N 2.83Å; A114-D118 PolarHBondContact O-N 3.1Å
115	Q	98.8	Very high	98.1	Very high	94 Å²	94	64.6 Å²	64.6	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-37.3	177	-73.2	172	-10.7	0	0	112.9	Q111 A112 A113 L119	Q111-Q115 VanDerWaalsContact O-CG 3.25Å; Q111-Q115 WeakPolarHBondContact O-CG 3.36Å; Q111-Q115 PolarHBondContact O-N 3.16Å; A112-Q115 PolarHBondContact O-N 3.41Å; A112-Q115 VanDerWaalsContact O-N 3.15Å; A113-Q115 PolarHBondContact O-N 2.89Å; Q115-L119 VanDerWaalsContact O-CB 3.29Å; Q115-L119 WeakPolarHBondContact O-CB 3.41Å; Q115-L119 PolarHBondContact O-N 2.87Å
116	L	98.8	Very high	98.2	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-39.8	176.5	-65.3	174.4	0	0	0	111.4	E87 V90 R91 L94 M106 A112 A113 A114 L119 A120 L127	E87-L116 HydrophobicContact CG-CD1 4.27Å; V90-L116 HydrophobicContact CB-CD1 4.1Å; V90-L116 HydrophobicContact CB-CD2 4.41Å; V90-L116 HydrophobicContact CG1-CB 4.35Å; V90-L116 HydrophobicContact CG1-CD1 3.85Å; V90-L116 HydrophobicContact CG1-CD2 4.03Å; V90-L116 HydrophobicContact CG1-CG 4.28Å; R91-L116 HydrophobicContact CB-CD2 3.81Å; L94-L116 HydrophobicContact CD1-CB 4.41Å; L94-L116 HydrophobicContact CD1-CD2 4.46Å; L94-L116 WeakPolarHBondContact CD1-O 3.39Å; M106-L116 HydrophobicContact CG-CD1 3.93Å; M106-L116 HydrophobicContact SD-CB 4.14Å; M106-L116 HydrophobicContact SD-CD1 4Å; A112-L116 VanDerWaalsContact O-CG 3.32Å; A112-L116 WeakPolarHBondContact O-CG 3.32Å; A112-L116 PolarHBondContact O-N 3.14Å; A113-L116 PolarHBondContact O-N 3.21Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 2.85Å; L116-L119 PolarHBondContact O-N 3.35Å; L116-A120 WeakPolarHBondContact O-CB 3.15Å; L116-A120 PolarHBondContact O-N 2.9Å; L116-L127 HydrophobicContact CB-CD2 4.05Å
117	W	98.4	Very high	98.2	Very high	113 Å²	113	68.8 Å²	68.8	43%	0.428	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-49	172.7	-89.8	111.8	0	0	0	112.3	A113 A114 L119 A120 Q121 L127	A113-W117 PolarHBondContact O-N 3.06Å; A114-W117 PolarHBondContact O-N 2.83Å; W117-L119 VanDerWaalsContact C-N 3.27Å; W117-L119 PolarHBondContact O-N 3.34Å; W117-A120 PolarHBondContact O-N 2.91Å; W117-Q121 WeakPolarHBondContact O-CG 3.41Å; W117-Q121 PolarHBondContact O-N 3.03Å; W117-L127 HydrophobicContact CD2-CD2 4.14Å; W117-L127 HydrophobicContact CE3-CB 4.49Å; W117-L127 HydrophobicContact CE3-CD2 4.4Å; W117-L127 HydrophobicContact CG-CD2 4.3Å; W117-L127 WeakPolarHBondContact CH2-O 3.37Å; W117-L127 HydrophobicContact CZ3-CB 4.33Å
118	D	98.6	Very high	98.3	Very high	117 Å²	117	73.1 Å²	73.1	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-59	-40.6	176.4	-74.5	-20.3	0	0	0	111.7	A114 Q121 K122	A114-D118 PolarHBondContact O-N 3.1Å; D118-Q121 PolarHBondContact O-N 3.22Å; D118-K122 WeakPolarHBondContact O-CB 3.21Å; D118-K122 PolarHBondContact O-N 2.75Å
119	L	98.8	Very high	98.3	Very high	31 Å²	31	72.7 Å²	72.7	16%	0.162	37%	0.369	C	S	.	.	H	α-helix	trans	-63.4	-46.5	176.7	177	62.1	0	0	0	111.8	R91 L94 E95 Q115 L116 W117 Q121 K122 K123	R91-L119 HydrophobicContact CG-CD2 4.15Å; L94-L119 HydrophobicContact CB-CD2 3.71Å; L94-L119 HydrophobicContact CB-CG 3.96Å; L94-L119 HydrophobicContact CD1-CD2 4.17Å; L94-L119 HydrophobicContact CD1-CG 4.37Å; E95-L119 HydrophobicContact CG-CD1 4.43Å; E95-L119 HydrophobicContact CG-CD2 4.01Å; Q115-L119 VanDerWaalsContact O-CB 3.29Å; Q115-L119 WeakPolarHBondContact O-CB 3.41Å; Q115-L119 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 3.35Å; W117-L119 VanDerWaalsContact C-N 3.27Å; W117-L119 PolarHBondContact O-N 3.34Å; L119-Q121 VanDerWaalsContact C-N 3.33Å; L119-Q121 PolarHBondContact O-N 2.82Å; L119-K122 PolarHBondContact O-N 3.02Å; L119-K123 HydrophobicContact CD1-CG 3.94Å; L119-K123 HydrophobicContact CG-CG 4.44Å; L119-K123 WeakPolarHBondContact O-CB 3.28Å; L119-K123 VanDerWaalsContact O-CG 3.25Å; L119-K123 WeakPolarHBondContact O-CG 3.38Å; L119-K123 PolarHBondContact O-N 3.35Å
120	A	98.8	Very high	98.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.8	0	0	0	0	0	111.6	L94 L116 W117 K123 G124 V125 L127	L94-A120 HydrophobicContact CD1-CB 4.13Å; L94-A120 HydrophobicContact CD2-CB 3.87Å; L116-A120 WeakPolarHBondContact O-CB 3.15Å; L116-A120 PolarHBondContact O-N 2.9Å; W117-A120 PolarHBondContact O-N 2.91Å; A120-K123 PolarHBondContact O-N 3.15Å; A120-G124 PolarHBondContact O-N 3.28Å; A120-V125 HydrophobicContact CB-CG2 4.27Å; A120-V125 PolarHBondContact O-N 3.37Å; A120-V125 VanDerWaalsContact O-N 3.1Å; A120-L127 HydrophobicContact CB-CB 3.58Å; A120-L127 HydrophobicContact CB-CD2 4.11Å
121	Q	98.4	Very high	98.3	Very high	129 Å²	129	63.7 Å²	63.7	60%	0.603	33%	0.329	S	S	*	.	H	α-helix	trans	-60.8	-47.3	175.1	-68.1	-62	-28.6	0	0	111.7	W117 D118 L119 K123 G124	W117-Q121 WeakPolarHBondContact O-CG 3.41Å; W117-Q121 PolarHBondContact O-N 3.03Å; D118-Q121 PolarHBondContact O-N 3.22Å; L119-Q121 VanDerWaalsContact C-N 3.33Å; L119-Q121 PolarHBondContact O-N 2.82Å; Q121-K123 VanDerWaalsContact C-N 3.26Å; Q121-K123 PolarHBondContact O-N 3.48Å; Q121-G124 PolarHBondContact O-N 3.07Å; Q121-G124 VanDerWaalsContact O-N 3.13Å
122	K	98.6	Very high	98.2	Very high	183 Å²	183	61.8 Å²	61.8	80%	0.796	32%	0.322	S	S	*	.	H	α-helix	trans	-60.8	-35.4	177.8	-178.7	178.5	178.3	-179.3	0	112.6	D118 L119 G124	D118-K122 WeakPolarHBondContact O-CB 3.21Å; D118-K122 PolarHBondContact O-N 2.75Å; L119-K122 PolarHBondContact O-N 3.02Å; K122-G124 VanDerWaalsContact C-N 3.34Å
123	K	98.3	Very high	98	Very high	93 Å²	93	62.1 Å²	62.1	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-83	-12.3	179.7	-69.9	-79.3	177.3	167.6	0	112.9	L94 E95 L119 A120 Q121 V125	L94-K123 WeakPolarHBondContact O-CD 3.45Å; L94-K123 WeakPolarHBondContact O-CG 3.3Å; E95-K123 PolarHBondContact O-NZ 3.02Å; L119-K123 HydrophobicContact CD1-CG 3.94Å; L119-K123 HydrophobicContact CG-CG 4.44Å; L119-K123 WeakPolarHBondContact O-CB 3.28Å; L119-K123 VanDerWaalsContact O-CG 3.25Å; L119-K123 WeakPolarHBondContact O-CG 3.38Å; L119-K123 PolarHBondContact O-N 3.35Å; A120-K123 PolarHBondContact O-N 3.15Å; Q121-K123 VanDerWaalsContact C-N 3.26Å; Q121-K123 PolarHBondContact O-N 3.48Å; K123-V125 VanDerWaalsContact C-N 3.29Å; K123-V125 HydrophobicContact CB-CG1 4.34Å; K123-V125 HydrophobicContact CB-CG2 3.91Å
124	G	98.2	Very high	98	Very high	67 Å²	67	63.2 Å²	63.2	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	30.2	-177	0	0	0	0	0	112.9	A120 Q121 K122	A120-G124 PolarHBondContact O-N 3.28Å; Q121-G124 PolarHBondContact O-N 3.07Å; Q121-G124 VanDerWaalsContact O-N 3.13Å; K122-G124 VanDerWaalsContact C-N 3.34Å
125	V	98.5	Very high	97.8	Very high	19 Å²	19	67 Å²	67	12%	0.115	34%	0.34	C	S	.	.			trans	-113.4	164.1	-179.5	-61.5	0	0	0	0	111	L94 G97 A120 K123	L94-V125 HydrophobicContact CD2-CG2 3.45Å; L94-V125 VanDerWaalsContact CD2-CG2 3.45Å; G97-V125 WeakPolarHBondContact O-CG1 3.49Å; A120-V125 HydrophobicContact CB-CG2 4.27Å; A120-V125 PolarHBondContact O-N 3.37Å; A120-V125 VanDerWaalsContact O-N 3.1Å; K123-V125 VanDerWaalsContact C-N 3.29Å; K123-V125 HydrophobicContact CB-CG1 4.34Å; K123-V125 HydrophobicContact CB-CG2 3.91Å
126	V	98.5	Very high	97.7	Very high	86 Å²	86	65 Å²	65	52%	0.521	33%	0.334	S	S	.	.			trans	-87.1	130.5	177.2	176.6	0	0	0	0	108.2	H99 V100	H99-V126 CarbonylContact C-O 3.49Å; H99-V126 WeakPolarHBondContact CA-O 3.24Å; H99-V126 HydrophobicContact CB-CB 4.42Å; H99-V126 WeakPolarHBondContact ND1-CB 3.37Å; H99-V126 PolarHBondContact ND1-N 3.39Å; V100-V126 PolarHBondContact N-O 3.33Å
127	L	98.8	Very high	97.5	Very high	7 Å²	7	71.1 Å²	71.1	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.6	164.8	176.4	60.2	0	0	0	107.6	V90 L94 V100 V102 M106 L116 W117 A120	V90-L127 HydrophobicContact CG1-CD1 3.65Å; L94-L127 HydrophobicContact CD1-CD1 4.39Å; L94-L127 HydrophobicContact CD1-CD2 4.15Å; L94-L127 HydrophobicContact CD2-CB 4.43Å; V100-L127 HydrophobicContact CB-CD1 3.94Å; V100-L127 HydrophobicContact CG1-CD1 3.98Å; V100-L127 CarbonylContact O-C 3.52Å; V100-L127 WeakPolarHBondContact O-CA 3.39Å; V102-L127 HydrophobicContact CG1-CD1 4.5Å; M106-L127 HydrophobicContact CE-CD1 3.88Å; M106-L127 HydrophobicContact CE-CD2 3.75Å; M106-L127 HydrophobicContact CE-CG 3.66Å; M106-L127 HydrophobicContact SD-CD1 4.29Å; M106-L127 HydrophobicContact SD-CD2 3.73Å; M106-L127 HydrophobicContact SD-CG 4.24Å; L116-L127 HydrophobicContact CB-CD2 4.05Å; W117-L127 HydrophobicContact CD2-CD2 4.14Å; W117-L127 HydrophobicContact CE3-CB 4.49Å; W117-L127 HydrophobicContact CE3-CD2 4.4Å; W117-L127 HydrophobicContact CG-CD2 4.3Å; W117-L127 WeakPolarHBondContact CH2-O 3.37Å; W117-L127 HydrophobicContact CZ3-CB 4.33Å; A120-L127 HydrophobicContact CB-CB 3.58Å; A120-L127 HydrophobicContact CB-CD2 4.11Å
128	H	98.5	Very high	97.3	Very high	97 Å²	97	72 Å²	72	45%	0.449	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.2	178.4	176	67	0	0	0	109.1	V100 C101 V102	V100-H128 PolarHBondContact O-N 3.44Å; C101-H128 CarbonylContact C-O 3.58Å; C101-H128 VanDerWaalsContact CA-O 3.31Å; C101-H128 WeakPolarHBondContact CA-O 3.36Å; V102-H128 PolarHBondContact N-O 3.29Å
129	E	98.4	Very high	97.2	Very high	47 Å²	47	66.6 Å²	66.6	22%	0.22	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.4	164.4	-173.3	-179.9	-146.1	0	0	108.3	V102 P105 M106 H131	V102-E129 HydrophobicContact CG1-CB 4.42Å; V102-E129 CarbonylContact O-C 3.52Å; V102-E129 WeakPolarHBondContact O-CA 3.42Å; P105-E129 VanDerWaalsContact CA-OE1 3.3Å; P105-E129 WeakPolarHBondContact CA-OE1 3.33Å; M106-E129 HydrophobicContact CB-CB 4.43Å; M106-E129 HydrophobicContact CB-CG 4.09Å; M106-E129 HydrophobicContact CE-CB 3.78Å; M106-E129 PolarHBondContact N-OE1 3.46Å; E129-H131 IonicContact OE1-NE2 3.42Å; E129-H131 IonicContact OE2-CD2 3.06Å; E129-H131 IonicContact OE2-CE1 2.85Å; E129-H131 IonicContact OE2-NE2 3.63Å; E129-H131 PolarHBondContact OE2-NE2 3.29Å
130	E	96.6	Very high	97.1	Very high	19 Å²	19	69 Å²	69	9%	0.089	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.4	178	-164.8	-107.3	-143.6	0	0	110.6	R27 V102 Y104 I132	R27-E130 IonicContact CZ-OE1 3.67Å; R27-E130 VanDerWaalsContact NH2-CG 3.29Å; R27-E130 IonicContact NH2-OE1 3.91Å; R27-E130 PolarHBondContact NH2-OE1 2.7Å; V102-E130 PolarHBondContact O-N 3.44Å; Y104-E130 VanDerWaalsContact CB-O 3.3Å; Y104-E130 WeakPolarHBondContact CB-O 3.38Å; Y104-E130 VanDerWaalsContact CD1-O 3.28Å; Y104-E130 WeakPolarHBondContact CD1-O 3.49Å; Y104-E130 PolarHBondContact N-O 2.86Å; E130-I132 WeakPolarHBondContact OE1-CB 3.35Å; E130-I132 WeakPolarHBondContact OE2-CB 3.41Å; E130-I132 PolarHBondContact OE2-N 3.4Å
131	H	97.2	Very high	97	Very high	42 Å²	42	73.4 Å²	73.4	19%	0.194	38%	0.376	C	S	.	.			trans	-129.3	70.7	176.1	-75.3	-88.2	0	0	0	109	E129 E133 L134 S179	E129-H131 IonicContact OE1-NE2 3.42Å; E129-H131 IonicContact OE2-CD2 3.06Å; E129-H131 IonicContact OE2-CE1 2.85Å; E129-H131 IonicContact OE2-NE2 3.63Å; E129-H131 PolarHBondContact OE2-NE2 3.29Å; H131-E133 WeakPolarHBondContact CA-OE2 3.25Å; H131-E133 WeakPolarHBondContact CB-OE1 3.47Å; H131-E133 IonicContact CG-OE1 3.24Å; H131-E133 IonicContact ND1-OE1 3.56Å; H131-E133 PolarHBondContact ND1-OE1 2.69Å; H131-E133 VanDerWaalsContact ND1-OE1 3.11Å; H131-E133 PolarHBondContact O-N 2.76Å; H131-E133 VanDerWaalsContact O-N 3.14Å; H131-L134 HydrophobicContact CB-CD1 4.05Å; H131-L134 HydrophobicContact CB-CG 4.35Å; H131-L134 PolarHBondContact O-N 3.27Å; H131-S179 PolarHBondContact ND1-OG 3Å
132	I	94.8	Very high	96.9	Very high	90 Å²	90	69.9 Å²	69.9	46%	0.462	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-56.4	-28.4	-176.3	-161.4	168.1	0	0	0	113.5	Y104 E130 L134 L135 T136	Y104-I132 HydrophobicContact CE1-CG2 4.38Å; E130-I132 WeakPolarHBondContact OE1-CB 3.35Å; E130-I132 WeakPolarHBondContact OE2-CB 3.41Å; E130-I132 PolarHBondContact OE2-N 3.4Å; I132-L134 PolarHBondContact O-N 3.2Å; I132-L134 VanDerWaalsContact O-N 3.16Å; I132-L135 WeakPolarHBondContact O-CA 3.17Å; I132-L135 WeakPolarHBondContact O-CB 3.17Å; I132-L135 PolarHBondContact O-N 2.72Å; I132-T136 PolarHBondContact O-N 3.31Å
133	E	95.1	Very high	96.8	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.061	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.2	-177.5	75.5	-77.4	-177.6	0	0	112.2	H131 L135 T136 Y139 A176 S179 W180	H131-E133 WeakPolarHBondContact CA-OE2 3.25Å; H131-E133 WeakPolarHBondContact CB-OE1 3.47Å; H131-E133 IonicContact CG-OE1 3.24Å; H131-E133 IonicContact ND1-OE1 3.56Å; H131-E133 PolarHBondContact ND1-OE1 2.69Å; H131-E133 VanDerWaalsContact ND1-OE1 3.11Å; H131-E133 PolarHBondContact O-N 2.76Å; H131-E133 VanDerWaalsContact O-N 3.14Å; E133-L135 PolarHBondContact O-N 3.03Å; E133-T136 PolarHBondContact O-OG1 3.3Å; E133-Y139 VanDerWaalsContact O-CB 3.25Å; E133-Y139 WeakPolarHBondContact O-CB 3.31Å; E133-A176 HydrophobicContact CB-CB 4.01Å; E133-A176 HydrophobicContact CG-CB 3.64Å; E133-A176 WeakPolarHBondContact CG-O 3.25Å; E133-A176 WeakPolarHBondContact OE1-CA 3.27Å; E133-S179 WeakPolarHBondContact OE1-CB 3.2Å; E133-S179 PolarHBondContact OE1-OG 3.22Å; E133-W180 VanDerWaalsContact CG-CD1 3.47Å; E133-W180 PolarHBondContact O-NE1 3.37Å
134	L	96.7	Very high	96.7	Very high	47 Å²	47	67.7 Å²	67.7	25%	0.246	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-77.9	-10.1	177.6	-59.3	177.9	0	0	0	112.7	H131 I132 Y139 D183	H131-L134 HydrophobicContact CB-CD1 4.05Å; H131-L134 HydrophobicContact CB-CG 4.35Å; H131-L134 PolarHBondContact O-N 3.27Å; I132-L134 PolarHBondContact O-N 3.2Å; I132-L134 VanDerWaalsContact O-N 3.16Å; L134-Y139 VanDerWaalsContact CA-CD1 3.5Å; L134-Y139 HydrophobicContact CB-CD1 4.28Å; L134-Y139 HydrophobicContact CB-CE1 4.21Å; L134-Y139 HydrophobicContact CD2-CD1 4.21Å; L134-Y139 HydrophobicContact CD2-CE1 3.65Å; L134-Y139 HydrophobicContact CD2-CE2 4.14Å; L134-Y139 VanDerWaalsContact O-CD1 3.24Å; L134-Y139 WeakPolarHBondContact O-CD1 3.09Å; L134-D183 HydrophobicContact CD2-CB 4.04Å
135	L	95.7	Very high	96.6	Very high	113 Å²	113	69.1 Å²	69.1	59%	0.592	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-104.4	-6.9	-179	-53.4	-178.6	0	0	0	112.7	I132 E133 K140	I132-L135 WeakPolarHBondContact O-CA 3.17Å; I132-L135 WeakPolarHBondContact O-CB 3.17Å; I132-L135 PolarHBondContact O-N 2.72Å; E133-L135 PolarHBondContact O-N 3.03Å; L135-K140 VanDerWaalsContact O-CE 3.25Å; L135-K140 WeakPolarHBondContact O-CE 3.17Å; L135-K140 PolarHBondContact O-NZ 3.19Å
136	T	95.5	Very high	96.3	Very high	51 Å²	51	70 Å²	70	31%	0.313	35%	0.346	S	S	.	.	S	Bend	trans	-65.8	149.2	178.1	64.2	0	0	0	0	111.9	I132 E133 D138 Y139 K140	I132-T136 PolarHBondContact O-N 3.31Å; E133-T136 PolarHBondContact O-OG1 3.3Å; T136-D138 VanDerWaalsContact C-N 3.33Å; T136-Y139 PolarHBondContact O-N 3.19Å; T136-Y139 WeakPolarHBondContact OG1-CB 3.5Å; T136-Y139 PolarHBondContact OG1-N 2.95Å; T136-K140 WeakPolarHBondContact O-CG 3.12Å; T136-K140 PolarHBondContact O-N 2.93Å
137	E	96.1	Very high	96	Very high	129 Å²	129	73.3 Å²	73.3	60%	0.603	36%	0.355	S	S	*	.	H	α-helix	trans	-65.6	-37.3	177.9	-66.1	-54.9	126.2	0	0	111.9	Y139 K140 Q141	E137-Y139 VanDerWaalsContact C-N 3.33Å; E137-Y139 PolarHBondContact O-N 3.38Å; E137-K140 PolarHBondContact O-N 2.9Å; E137-K140 WeakPolarHBondContact OE1-CD 3.35Å; E137-K140 IonicContact OE1-NZ 2.67Å; E137-K140 PolarHBondContact OE1-NZ 3.27Å; E137-Q141 WeakPolarHBondContact O-CB 3.41Å; E137-Q141 PolarHBondContact O-N 3.11Å
138	D	93.6	Very high	95.7	Very high	132 Å²	132	77 Å²	77	71%	0.706	40%	0.396	S	S	*	.	H	α-helix	trans	-59.1	-44.5	175	-65.6	-18	0	0	0	111.3	T136 Q141 L142	T136-D138 VanDerWaalsContact C-N 3.33Å; D138-Q141 PolarHBondContact O-N 3.16Å; D138-L142 WeakPolarHBondContact O-CB 3.3Å; D138-L142 PolarHBondContact O-N 2.77Å
139	Y	96	Very high	95.3	Very high	3 Å²	3	79.6 Å²	79.6	1%	0.012	41%	0.406	C	S	.	.	H	α-helix	trans	-65.1	-46.4	176.2	-177.7	-106.7	0	0	0	112.6	E133 L134 T136 E137 Q141 L142 K143 W180 D183 L184	E133-Y139 VanDerWaalsContact O-CB 3.25Å; E133-Y139 WeakPolarHBondContact O-CB 3.31Å; L134-Y139 VanDerWaalsContact CA-CD1 3.5Å; L134-Y139 HydrophobicContact CB-CD1 4.28Å; L134-Y139 HydrophobicContact CB-CE1 4.21Å; L134-Y139 HydrophobicContact CD2-CD1 4.21Å; L134-Y139 HydrophobicContact CD2-CE1 3.65Å; L134-Y139 HydrophobicContact CD2-CE2 4.14Å; L134-Y139 VanDerWaalsContact O-CD1 3.24Å; L134-Y139 WeakPolarHBondContact O-CD1 3.09Å; T136-Y139 PolarHBondContact O-N 3.19Å; T136-Y139 WeakPolarHBondContact OG1-CB 3.5Å; T136-Y139 PolarHBondContact OG1-N 2.95Å; E137-Y139 VanDerWaalsContact C-N 3.33Å; E137-Y139 PolarHBondContact O-N 3.38Å; Y139-Q141 PolarHBondContact O-N 3.04Å; Y139-L142 PolarHBondContact O-N 2.69Å; Y139-K143 HydrophobicContact CE1-CD 4.09Å; Y139-K143 WeakPolarHBondContact O-CB 3.46Å; Y139-K143 PolarHBondContact O-N 3.3Å; Y139-W180 HydrophobicContact CD2-CB 4.35Å; Y139-W180 AromaticContact CD2-CD1 3.46Å; Y139-W180 VanDerWaalsContact CD2-CD1 3.46Å; Y139-W180 AromaticContact CD2-CD2 3.48Å; Y139-W180 HydrophobicContact CD2-CD2 3.48Å; Y139-W180 VanDerWaalsContact CD2-CD2 3.48Å; Y139-W180 AromaticContact CD2-CE2 3.37Å; Y139-W180 HydrophobicContact CD2-CE3 4.18Å; Y139-W180 AromaticContact CD2-CG 3.54Å; Y139-W180 HydrophobicContact CD2-CG 3.54Å; Y139-W180 AromaticContact CD2-CZ2 4Å; Y139-W180 HydrophobicContact CD2-CZ2 4Å; Y139-W180 AromaticContact CD2-NE1 3.3Å; Y139-W180 VanDerWaalsContact CD2-NE1 3.3Å; Y139-W180 HydrophobicContact CE2-CB 3.96Å; Y139-W180 AromaticContact CE2-CD1 3.65Å; Y139-W180 HydrophobicContact CE2-CD2 4.01Å; Y139-W180 AromaticContact CE2-CG 3.62Å; Y139-W180 HydrophobicContact CE2-CG 3.62Å; Y139-W180 AromaticContact CE2-NE1 3.99Å; Y139-W180 HydrophobicContact CG-CD2 4.46Å; Y139-W180 AromaticContact CG-CE2 3.92Å; Y139-W180 HydrophobicContact CG-CZ2 4.3Å; Y139-W180 AromaticContact CG-NE1 3.67Å; Y139-D183 WeakPolarHBondContact CE1-OD2 3.45Å; Y139-D183 VanDerWaalsContact CZ-OD2 3.29Å; Y139-D183 WeakPolarHBondContact OH-CB 3.46Å; Y139-D183 PolarHBondContact OH-OD2 3.03Å; Y139-L184 HydrophobicContact CE2-CD1 4.09Å; Y139-L184 HydrophobicContact CE2-CD2 3.94Å; Y139-L184 HydrophobicContact CE2-CG 3.87Å
140	K	96.9	Very high	94.8	Very high	83 Å²	83	82.7 Å²	82.7	36%	0.361	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-37.6	177.8	-73	165	176.8	153.7	0	111.6	L135 T136 E137 K144	L135-K140 VanDerWaalsContact O-CE 3.25Å; L135-K140 WeakPolarHBondContact O-CE 3.17Å; L135-K140 PolarHBondContact O-NZ 3.19Å; T136-K140 WeakPolarHBondContact O-CG 3.12Å; T136-K140 PolarHBondContact O-N 2.93Å; E137-K140 PolarHBondContact O-N 2.9Å; E137-K140 WeakPolarHBondContact OE1-CD 3.35Å; E137-K140 IonicContact OE1-NZ 2.67Å; E137-K140 PolarHBondContact OE1-NZ 3.27Å; K140-K144 WeakPolarHBondContact O-CG 3.06Å; K140-K144 PolarHBondContact O-N 3.27Å
141	Q	97.1	Very high	94.4	Very high	92 Å²	92	83.5 Å²	83.5	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-67.8	-48.5	175.9	-178.4	57.6	30.1	0	0	111	E137 D138 Y139 K143 K144 E145	E137-Q141 WeakPolarHBondContact O-CB 3.41Å; E137-Q141 PolarHBondContact O-N 3.11Å; D138-Q141 PolarHBondContact O-N 3.16Å; Y139-Q141 PolarHBondContact O-N 3.04Å; Q141-K143 VanDerWaalsContact C-N 3.29Å; Q141-K143 PolarHBondContact O-N 3.44Å; Q141-K144 WeakPolarHBondContact O-CB 3.4Å; Q141-K144 PolarHBondContact O-N 3.28Å; Q141-K144 VanDerWaalsContact O-N 3.17Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.2Å; Q141-E145 PolarHBondContact NE2-OE1 2.77Å; Q141-E145 WeakPolarHBondContact O-CG 3.48Å; Q141-E145 PolarHBondContact O-N 3.04Å
142	L	95	Very high	93.8	Very high	54 Å²	54	87.6 Å²	87.6	28%	0.283	46%	0.455	S	S	.	.	H	α-helix	trans	-55.9	-44.5	175.4	177.8	60.7	0	0	0	111.7	D138 Y139 K144 E145 V146 W180 L184	D138-L142 WeakPolarHBondContact O-CB 3.3Å; D138-L142 PolarHBondContact O-N 2.77Å; Y139-L142 PolarHBondContact O-N 2.69Å; L142-K144 VanDerWaalsContact C-N 3.34Å; L142-K144 PolarHBondContact O-N 3.23Å; L142-E145 PolarHBondContact O-N 2.99Å; L142-E145 VanDerWaalsContact O-N 3.08Å; L142-V146 HydrophobicContact CD1-CG1 4.04Å; L142-V146 PolarHBondContact O-N 2.84Å; L142-W180 HydrophobicContact CD2-CE3 4.05Å; L142-W180 HydrophobicContact CD2-CZ3 4.09Å; L142-L184 HydrophobicContact CD2-CD1 3.65Å; L142-L184 HydrophobicContact CG-CD1 3.98Å
143	K	96.4	Very high	93.3	Very high	93 Å²	93	90.9 Å²	90.9	40%	0.404	47%	0.469	S	S	.	.	H	α-helix	trans	-59.1	-42.6	178.3	-171.2	165.7	-173.4	163.6	0	112.3	Y139 Q141 E147 D183 L184	Y139-K143 HydrophobicContact CE1-CD 4.09Å; Y139-K143 WeakPolarHBondContact O-CB 3.46Å; Y139-K143 PolarHBondContact O-N 3.3Å; Q141-K143 VanDerWaalsContact C-N 3.29Å; Q141-K143 PolarHBondContact O-N 3.44Å; K143-E147 PolarHBondContact O-N 3.08Å; K143-D183 IonicContact NZ-OD1 2.75Å; K143-D183 PolarHBondContact NZ-OD1 3.39Å; K143-D183 IonicContact NZ-OD2 2.83Å; K143-D183 PolarHBondContact NZ-OD2 2.82Å; K143-L184 HydrophobicContact CB-CD2 3.88Å; K143-L184 HydrophobicContact CG-CD2 4.06Å
144	K	97.1	Very high	92.9	Very high	137 Å²	137	91.5 Å²	91.5	60%	0.596	48%	0.479	S	S	*	.	H	α-helix	trans	-65.7	-38	173.8	-69.8	171.1	-174.4	172.1	0	112.2	K140 Q141 L142 E147	K140-K144 WeakPolarHBondContact O-CG 3.06Å; K140-K144 PolarHBondContact O-N 3.27Å; Q141-K144 WeakPolarHBondContact O-CB 3.4Å; Q141-K144 PolarHBondContact O-N 3.28Å; Q141-K144 VanDerWaalsContact O-N 3.17Å; L142-K144 VanDerWaalsContact C-N 3.34Å; L142-K144 PolarHBondContact O-N 3.23Å; K144-E147 WeakPolarHBondContact O-CB 3.43Å; K144-E147 PolarHBondContact O-N 3.4Å
145	E	95.6	Very high	92.5	Very high	97 Å²	97	93.8 Å²	93.8	45%	0.453	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-33	-177.5	-76.3	178.5	-166.7	0	0	113.3	Q141 L142 K149	Q141-E145 WeakPolarHBondContact CG-OE1 3.2Å; Q141-E145 PolarHBondContact NE2-OE1 2.77Å; Q141-E145 WeakPolarHBondContact O-CG 3.48Å; Q141-E145 PolarHBondContact O-N 3.04Å; L142-E145 PolarHBondContact O-N 2.99Å; L142-E145 VanDerWaalsContact O-N 3.08Å; E145-K149 VanDerWaalsContact O-CD 3.29Å; E145-K149 WeakPolarHBondContact O-CD 3.18Å; E145-K149 WeakPolarHBondContact O-CE 3.49Å; E145-K149 PolarHBondContact O-NZ 3.34Å
146	V	92.3	Very high	92.3	Very high	38 Å²	38	90.2 Å²	90.2	23%	0.23	48%	0.48	C	S	.	.	H	α-helix	trans	-88.7	-10	178.4	-55.2	0	0	0	0	113.1	L142 G148 K149 L184	L142-V146 HydrophobicContact CD1-CG1 4.04Å; L142-V146 PolarHBondContact O-N 2.84Å; V146-G148 PolarHBondContact O-N 3Å; V146-K149 WeakPolarHBondContact O-CB 3.39Å; V146-K149 PolarHBondContact O-N 2.92Å; V146-L184 HydrophobicContact CG2-CD2 3.77Å
147	E	93.8	Very high	92	Very high	155 Å²	155	92.7 Å²	92.7	72%	0.724	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	127.6	-178.3	-169.7	171.6	-161	0	0	111.4	K143 K144 K149	K143-E147 PolarHBondContact O-N 3.08Å; K144-E147 WeakPolarHBondContact O-CB 3.43Å; K144-E147 PolarHBondContact O-N 3.4Å; E147-K149 PolarHBondContact O-N 2.96Å
148	G	91.1	Very high	91.6	Very high	86 Å²	86	90.2 Å²	90.2	89%	0.887	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	3.8	-178.3	0	0	0	0	0	115.2	V146	V146-G148 PolarHBondContact O-N 3Å
149	K	90.8	Very high	91.3	Very high	150 Å²	150	86.5 Å²	86.5	65%	0.652	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-94.8	147.8	174.2	-61.3	-177.9	-177.6	161.7	0	110.8	E145 V146 E147	E145-K149 VanDerWaalsContact O-CD 3.29Å; E145-K149 WeakPolarHBondContact O-CD 3.18Å; E145-K149 WeakPolarHBondContact O-CE 3.49Å; E145-K149 PolarHBondContact O-NZ 3.34Å; V146-K149 WeakPolarHBondContact O-CB 3.39Å; V146-K149 PolarHBondContact O-N 2.92Å; E147-K149 PolarHBondContact O-N 2.96Å
150	T	87.9	Confident	90.7	Very high	112 Å²	112	87.6 Å²	87.6	69%	0.687	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-91.2	120.7	168.5	-54.3	0	0	0	0	108
151	L	86.9	Confident	90.1	Very high	37 Å²	37	86.4 Å²	86.4	19%	0.194	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.4	169.2	-172.2	64.9	0	0	0	108.5	E153 F185 L217 I219	L151-E153 WeakPolarHBondContact CD1-O 3.25Å; L151-F185 HydrophobicContact CB-CD1 4.29Å; L151-F185 HydrophobicContact CB-CE1 4.15Å; L151-F185 HydrophobicContact CD1-CE1 4.11Å; L151-F185 HydrophobicContact CD1-CZ 4.02Å; L151-F185 HydrophobicContact CD2-CD1 3.85Å; L151-F185 HydrophobicContact CD2-CD2 4.03Å; L151-F185 HydrophobicContact CD2-CE1 3.84Å; L151-F185 HydrophobicContact CD2-CE2 4.01Å; L151-F185 HydrophobicContact CD2-CG 3.95Å; L151-F185 HydrophobicContact CD2-CZ 3.91Å; L151-F185 HydrophobicContact CG-CE1 4.27Å; L151-F185 HydrophobicContact CG-CZ 4.48Å; L151-L217 WeakPolarHBondContact O-CD1 3.32Å; L151-I219 HydrophobicContact CD2-CD1 3.36Å; L151-I219 HydrophobicContact CD2-CG1 3.66Å
152	L	84.5	Confident	89.4	Confident	128 Å²	128	84.2 Å²	84.2	67%	0.67	48%	0.484	S	S	*	.			trans	-117.7	-45.8	171.9	-67.6	179.9	0	0	0	110.7	L217	L152-L217 WeakPolarHBondContact O-CB 3.27Å; L152-L217 VanDerWaalsContact O-CD2 3.24Å; L152-L217 WeakPolarHBondContact O-CD2 3.39Å
153	E	84.8	Confident	88.7	Confident	159 Å²	159	85.1 Å²	85.1	74%	0.743	49%	0.489	S	S	*	.			trans	-152.8	157.7	172.9	57.8	-177.5	-169.2	0	0	106.9	L151	L151-E153 WeakPolarHBondContact CD1-O 3.25Å
154	G	87.2	Confident	88	Confident	26 Å²	26	87.9 Å²	87.9	27%	0.268	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	147	178.1	0	0	0	0	0	111	I219 I220	G154-I219 WeakPolarHBondContact O-CA 3.48Å; G154-I220 PolarHBondContact O-N 2.71Å
155	S	89.3	Confident	87.4	Confident	95 Å²	95	87.5 Å²	87.5	66%	0.664	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	138.8	163.4	62.8	0	0	0	0	110.6	I220	S155-I220 WeakPolarHBondContact CA-O 3.17Å; S155-I220 WeakPolarHBondContact CB-O 3.26Å
156	L	89.8	Confident	86.9	Confident	37 Å²	37	83.7 Å²	83.7	19%	0.194	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117	175.2	172.8	63.7	0	0	0	107.4	R177 L181 I220 F221 F222	L156-R177 HydrophobicContact CD2-CB 3.85Å; L156-R177 HydrophobicContact CD2-CG 3.9Å; L156-R177 WeakPolarHBondContact CD2-O 3.27Å; L156-R177 HydrophobicContact CG-CG 4.28Å; L156-L181 HydrophobicContact CB-CD2 4.28Å; L156-L181 HydrophobicContact CD2-CD1 4.23Å; L156-L181 HydrophobicContact CD2-CD2 3.89Å; L156-L181 HydrophobicContact CD2-CG 3.87Å; L156-I220 PolarHBondContact N-O 3.48Å; L156-F221 HydrophobicContact CB-CD2 4.01Å; L156-F221 HydrophobicContact CB-CE2 4.44Å; L156-F221 HydrophobicContact CD2-CD2 4.05Å; L156-F221 HydrophobicContact CD2-CE2 3.92Å; L156-F221 HydrophobicContact CG-CD2 4.07Å; L156-F221 HydrophobicContact CG-CE2 4Å; L156-F221 WeakPolarHBondContact O-CD2 3.27Å; L156-F222 PolarHBondContact O-N 3.31Å; L156-F222 VanDerWaalsContact O-O 3.12Å
157	H	89.6	Confident	86.6	Confident	103 Å²	103	85.7 Å²	85.7	48%	0.477	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.4	178.5	-175.9	-132.2	0	0	0	110.1	F222 T224	H157-F222 VanDerWaalsContact CA-O 3.31Å; H157-F222 WeakPolarHBondContact CA-O 3.28Å; H157-F222 HydrophobicContact CB-CB 4.27Å; H157-T224 WeakPolarHBondContact NE2-CB 3.04Å; H157-T224 PolarHBondContact NE2-OG1 2.97Å
158	F	87.8	Confident	86.3	Confident	78 Å²	78	79.7 Å²	79.7	34%	0.342	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.4	170.2	-179.3	-91.8	0	0	0	110	R177 F222 L223 T224	F158-R177 HydrophobicContact CB-CG 3.94Å; F158-R177 VanDerWaalsContact CD1-NH2 3.34Å; F158-R177 HydrophobicContact CG-CG 4.39Å; F158-F222 PolarHBondContact N-O 3.26Å; F158-F222 VanDerWaalsContact N-O 3.09Å; F158-L223 HydrophobicContact CB-CD1 3.91Å; F158-L223 HydrophobicContact CD1-CD1 3.63Å; F158-L223 HydrophobicContact CG-CD1 4.18Å; F158-T224 PolarHBondContact O-N 3.23Å
159	A	87.8	Confident	86.4	Confident	53 Å²	53	80.2 Å²	80.2	44%	0.438	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.3	177.2	0	0	0	0	0	109.5	T224 F226	A159-T224 VanDerWaalsContact CA-O 3.27Å; A159-T224 WeakPolarHBondContact CA-O 3.48Å; A159-F226 HydrophobicContact CB-CD2 3.82Å; A159-F226 HydrophobicContact CB-CE2 3.62Å
160	G	84.2	Confident	86.4	Confident	27 Å²	27	73.7 Å²	73.7	28%	0.278	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	176.6	176.7	0	0	0	0	0	112.5	T224 F226	G160-T224 PolarHBondContact N-O 2.95Å; G160-F226 PolarHBondContact O-N 2.78Å
161	G	84	Confident	86.6	Confident	57 Å²	57	70.1 Å²	70.1	59%	0.588	42%	0.417	S	S	*	.	S	Bend	trans	-70.7	176.6	173.3	0	0	0	0	0	113.1	L163 F226	G161-L163 PolarHBondContact O-N 3.17Å; G161-F226 CarbonylContact C-O 3.58Å; G161-F226 WeakPolarHBondContact CA-O 3.31Å
162	A	81.5	Confident	86.9	Confident	47 Å²	47	71.3 Å²	71.3	39%	0.388	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-53.2	133.3	176.1	0	0	0	0	0	111.9	K164 F226 L227	A162-K164 PolarHBondContact O-N 3.21Å; A162-F226 PolarHBondContact N-O 3.22Å; A162-L227 HydrophobicContact CB-CD1 3.57Å; A162-L227 HydrophobicContact CB-CD2 3.99Å; A162-L227 HydrophobicContact CB-CG 3.56Å
163	L	79.4	Confident	87.1	Confident	73 Å²	73	66.1 Å²	66.1	38%	0.382	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-67.4	128.5	170.5	-69.4	176.3	0	0	0	109.4	G161 P170 S173	G161-L163 PolarHBondContact O-N 3.17Å; L163-P170 HydrophobicContact CD1-CB 4.4Å; L163-P170 HydrophobicContact CD1-CG 3.88Å; L163-S173 VanDerWaalsContact CD1-OG 3.31Å; L163-S173 WeakPolarHBondContact CD1-OG 3.38Å; L163-S173 WeakPolarHBondContact CD2-OG 3.48Å
164	K	82.4	Confident	87.4	Confident	151 Å²	151	58.7 Å²	58.7	66%	0.657	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-75.9	152.7	175.6	-64.4	175.8	-176.5	174.3	0	109.7	A162 G166 F167	A162-K164 PolarHBondContact O-N 3.21Å; K164-G166 PolarHBondContact O-N 2.95Å; K164-F167 HydrophobicContact CB-CD2 3.7Å; K164-F167 HydrophobicContact CB-CE2 3.83Å; K164-F167 HydrophobicContact CD-CE2 4.35Å; K164-F167 WeakPolarHBondContact O-CD2 3.37Å; K164-F167 PolarHBondContact O-N 2.88Å
165	P	84.6	Confident	87.7	Confident	128 Å²	128	59.3 Å²	59.3	83%	0.831	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	138.8	167.7	-26.2	34.9	0	0	0	111.3
166	G	84.6	Confident	88	Confident	17 Å²	17	54.8 Å²	54.8	18%	0.175	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-2.6	-179.5	0	0	0	0	0	116.2	N83 D84 K164	N83-G166 WeakPolarHBondContact CB-O 3.2Å; N83-G166 PolarHBondContact N-O 3.31Å; D84-G166 PolarHBondContact N-O 3.4Å; D84-G166 WeakPolarHBondContact OD2-CA 3.44Å; K164-G166 PolarHBondContact O-N 2.95Å
167	F	86.4	Confident	88.1	Confident	80 Å²	80	54.9 Å²	54.9	35%	0.351	32%	0.324	S	S	.	.	S	Bend	trans	-89.8	-6.2	177.2	-75.9	-103.8	0	0	0	113.8	N83 K164 S173	N83-F167 PolarHBondContact ND2-O 3.27Å; K164-F167 HydrophobicContact CB-CD2 3.7Å; K164-F167 HydrophobicContact CB-CE2 3.83Å; K164-F167 HydrophobicContact CD-CE2 4.35Å; K164-F167 WeakPolarHBondContact O-CD2 3.37Å; K164-F167 PolarHBondContact O-N 2.88Å; F167-S173 WeakPolarHBondContact O-CB 3.46Å
168	G	88.4	Confident	88.3	Confident	29 Å²	29	52.9 Å²	52.9	30%	0.299	32%	0.317	S	S	.	.			trans	79.1	-179.7	176.7	0	0	0	0	0	114.7
169	F	91.9	Very high	88.7	Confident	98 Å²	98	50.1 Å²	50.1	43%	0.43	31%	0.307	S	S	.	.			trans	-63.4	148.6	-179.9	-177.2	-100.7	0	0	0	111.1	A171 F172 S173 F195 M206	F169-A171 HydrophobicContact CD1-CB 3.68Å; F169-A171 HydrophobicContact CE1-CB 3.87Å; F169-A171 PolarHBondContact O-N 2.84Å; F169-F172 HydrophobicContact CB-CD2 4.27Å; F169-F172 PolarHBondContact O-N 3.22Å; F169-S173 PolarHBondContact O-N 3.38Å; F169-S173 VanDerWaalsContact O-N 3.1Å; F169-F195 HydrophobicContact CE2-CD1 4.25Å; F169-F195 HydrophobicContact CE2-CD2 4.01Å; F169-F195 HydrophobicContact CE2-CE1 4.43Å; F169-F195 HydrophobicContact CE2-CE2 4.22Å; F169-F195 HydrophobicContact CE2-CG 4.03Å; F169-F195 HydrophobicContact CE2-CZ 4.41Å; F169-F195 HydrophobicContact CZ-CB 4.35Å; F169-F195 HydrophobicContact CZ-CD2 4.04Å; F169-F195 HydrophobicContact CZ-CG 4.13Å; F169-M206 HydrophobicContact CE1-SD 3.65Å; F169-M206 HydrophobicContact CZ-SD 4.21Å
170	P	90.8	Very high	89	Confident	13 Å²	13	50 Å²	50	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-49.8	-37.6	-176.6	-32.1	37.4	0	0	0	115.1	L163 F172 S173 G174 F195 M206 L223	L163-P170 HydrophobicContact CD1-CB 4.4Å; L163-P170 HydrophobicContact CD1-CG 3.88Å; P170-F172 PolarHBondContact O-N 3.16Å; P170-S173 WeakPolarHBondContact CA-OG 3.5Å; P170-S173 PolarHBondContact O-N 3.38Å; P170-S173 PolarHBondContact O-OG 3.43Å; P170-G174 WeakPolarHBondContact O-CA 3.3Å; P170-G174 PolarHBondContact O-N 3.28Å; P170-F195 HydrophobicContact CG-CE2 3.89Å; P170-M206 HydrophobicContact CB-CB 4.29Å; P170-M206 HydrophobicContact CB-SD 4.37Å; P170-L223 VanDerWaalsContact C-CD2 3.44Å; P170-L223 HydrophobicContact CB-CD2 3.62Å; P170-L223 HydrophobicContact CB-CG 4.47Å; P170-L223 WeakPolarHBondContact O-CD2 3.33Å
171	A	92.1	Very high	89.5	Confident	37 Å²	37	49.1 Å²	49.1	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-30.5	177.2	0	0	0	0	0	113.8	F169 M206	F169-A171 HydrophobicContact CD1-CB 3.68Å; F169-A171 HydrophobicContact CE1-CB 3.87Å; F169-A171 PolarHBondContact O-N 2.84Å; A171-M206 HydrophobicContact CB-CE 4.01Å; A171-M206 HydrophobicContact CB-SD 3.73Å
172	F	93.3	Very high	90	Very high	61 Å²	61	49.3 Å²	49.3	27%	0.268	27%	0.274	S	S	.	.	H	α-helix	trans	-88.6	-47.6	177.4	-69.9	-85.4	0	0	0	111.8	P105 L108 F169 P170 G174 I175	P105-F172 HydrophobicContact CG-CB 4.2Å; L108-F172 HydrophobicContact CD2-CB 3.6Å; L108-F172 HydrophobicContact CD2-CD1 4.28Å; L108-F172 HydrophobicContact CD2-CG 3.94Å; L108-F172 WeakPolarHBondContact O-CZ 3.16Å; F169-F172 HydrophobicContact CB-CD2 4.27Å; F169-F172 PolarHBondContact O-N 3.22Å; P170-F172 PolarHBondContact O-N 3.16Å; F172-G174 PolarHBondContact O-N 3.46Å; F172-I175 VanDerWaalsContact O-CB 3.27Å; F172-I175 WeakPolarHBondContact O-CB 3.43Å; F172-I175 VanDerWaalsContact O-CG2 3.25Å; F172-I175 WeakPolarHBondContact O-CG2 3.32Å; F172-I175 PolarHBondContact O-N 2.52Å; F172-I175 VanDerWaalsContact O-N 3.15Å
173	S	89.9	Confident	90.6	Very high	19 Å²	19	50.4 Å²	50.4	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-27.8	-180	62.8	0	0	0	0	112.9	L163 F167 F169 P170	L163-S173 VanDerWaalsContact CD1-OG 3.31Å; L163-S173 WeakPolarHBondContact CD1-OG 3.38Å; L163-S173 WeakPolarHBondContact CD2-OG 3.48Å; F167-S173 WeakPolarHBondContact O-CB 3.46Å; F169-S173 PolarHBondContact O-N 3.38Å; F169-S173 VanDerWaalsContact O-N 3.1Å; P170-S173 WeakPolarHBondContact CA-OG 3.5Å; P170-S173 PolarHBondContact O-N 3.38Å; P170-S173 PolarHBondContact O-OG 3.43Å
174	G	90.7	Very high	91.3	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.031	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	12.8	175	0	0	0	0	0	114.8	P170 F172 A176 R177	P170-G174 WeakPolarHBondContact O-CA 3.3Å; P170-G174 PolarHBondContact O-N 3.28Å; F172-G174 PolarHBondContact O-N 3.46Å; G174-A176 PolarHBondContact O-N 2.95Å; G174-A176 VanDerWaalsContact O-N 3.1Å; G174-R177 PolarHBondContact O-N 3.39Å
175	I	94.1	Very high	91.7	Very high	39 Å²	39	43.7 Å²	43.7	20%	0.2	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-30.6	-171.4	-163	166.4	0	0	0	113.2	Y104 P105 F172 R177 L178 S179	Y104-I175 HydrophobicContact CD2-CG2 3.64Å; Y104-I175 HydrophobicContact CE2-CG2 4.4Å; Y104-I175 HydrophobicContact CG-CG2 4.31Å; P105-I175 HydrophobicContact CB-CG2 4.35Å; F172-I175 VanDerWaalsContact O-CB 3.27Å; F172-I175 WeakPolarHBondContact O-CB 3.43Å; F172-I175 VanDerWaalsContact O-CG2 3.25Å; F172-I175 WeakPolarHBondContact O-CG2 3.32Å; F172-I175 PolarHBondContact O-N 2.52Å; F172-I175 VanDerWaalsContact O-N 3.15Å; I175-R177 PolarHBondContact O-N 3.11Å; I175-L178 CarbonylContact O-C 3.6Å; I175-L178 WeakPolarHBondContact O-CA 3.34Å; I175-L178 WeakPolarHBondContact O-CB 3.46Å; I175-L178 PolarHBondContact O-N 3.48Å; I175-S179 PolarHBondContact O-N 3.15Å; I175-S179 PolarHBondContact O-OG 3.35Å
176	A	93.9	Very high	92	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-47.9	-38	174.1	0	0	0	0	0	113.9	Y104 E133 G174 S179 W180	Y104-A176 HydrophobicContact CE1-CB 4.36Å; Y104-A176 HydrophobicContact CE2-CB 3.88Å; E133-A176 HydrophobicContact CB-CB 4.01Å; E133-A176 HydrophobicContact CG-CB 3.64Å; E133-A176 WeakPolarHBondContact CG-O 3.25Å; E133-A176 WeakPolarHBondContact OE1-CA 3.27Å; G174-A176 PolarHBondContact O-N 2.95Å; G174-A176 VanDerWaalsContact O-N 3.1Å; A176-S179 WeakPolarHBondContact O-CB 3.04Å; A176-S179 PolarHBondContact O-N 2.81Å; A176-W180 PolarHBondContact O-N 3.11Å; A176-W180 VanDerWaalsContact O-N 3.11Å
177	R	93.6	Very high	92.3	Very high	40 Å²	40	46.2 Å²	46.2	15%	0.151	25%	0.247	C	C	.	.	H	α-helix	trans	-72.6	-32.9	176.6	-90.2	63.5	66.6	-178.1	4.4	112.5	L156 F158 G174 I175 L181 F221	L156-R177 HydrophobicContact CD2-CB 3.85Å; L156-R177 HydrophobicContact CD2-CG 3.9Å; L156-R177 WeakPolarHBondContact CD2-O 3.27Å; L156-R177 HydrophobicContact CG-CG 4.28Å; F158-R177 HydrophobicContact CB-CG 3.94Å; F158-R177 VanDerWaalsContact CD1-NH2 3.34Å; F158-R177 HydrophobicContact CG-CG 4.39Å; G174-R177 PolarHBondContact O-N 3.39Å; I175-R177 PolarHBondContact O-N 3.11Å; R177-L181 PolarHBondContact O-N 2.84Å; R177-F221 HydrophobicContact CB-CE2 3.46Å; R177-F221 VanDerWaalsContact CB-CE2 3.46Å; R177-F221 HydrophobicContact CB-CZ 3.55Å; R177-F221 HydrophobicContact CG-CE2 4.14Å; R177-F221 HydrophobicContact CG-CZ 4.45Å
178	L	93.4	Very high	92.5	Very high	61 Å²	61	44 Å²	44	32%	0.319	24%	0.239	S	C	.	.	H	α-helix	trans	-69.6	-38.1	172	-175.8	60.8	0	0	0	110.6	I175 W180 L181 V182 L188 L210	I175-L178 CarbonylContact O-C 3.6Å; I175-L178 WeakPolarHBondContact O-CA 3.34Å; I175-L178 WeakPolarHBondContact O-CB 3.46Å; I175-L178 PolarHBondContact O-N 3.48Å; L178-W180 VanDerWaalsContact C-N 3.3Å; L178-W180 PolarHBondContact O-N 3.1Å; L178-L181 PolarHBondContact O-N 3.3Å; L178-L181 VanDerWaalsContact O-N 3.11Å; L178-V182 HydrophobicContact CD1-CG2 4.41Å; L178-V182 HydrophobicContact CG-CG2 4.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.33Å; L178-V182 PolarHBondContact O-N 2.81Å; L178-L188 HydrophobicContact CD1-CD1 4.23Å; L178-L210 HydrophobicContact CD1-CD1 3.71Å
179	S	95.4	Very high	92.7	Very high	19 Å²	19	46.3 Å²	46.3	13%	0.133	25%	0.25	C	S	.	.	H	α-helix	trans	-56	-43.1	173.2	-55.5	0	0	0	0	111.8	H131 E133 I175 A176 V182 D183	H131-S179 PolarHBondContact ND1-OG 3Å; E133-S179 WeakPolarHBondContact OE1-CB 3.2Å; E133-S179 PolarHBondContact OE1-OG 3.22Å; I175-S179 PolarHBondContact O-N 3.15Å; I175-S179 PolarHBondContact O-OG 3.35Å; A176-S179 WeakPolarHBondContact O-CB 3.04Å; A176-S179 PolarHBondContact O-N 2.81Å; S179-V182 PolarHBondContact O-N 3.07Å; S179-D183 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 3.1Å
180	W	95	Very high	92.6	Very high	50 Å²	50	46.6 Å²	46.6	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-50.8	172.5	-80.5	19	0	0	0	112.2	E133 Y139 L142 A176 L178 V182 D183 L184	E133-W180 VanDerWaalsContact CG-CD1 3.47Å; E133-W180 PolarHBondContact O-NE1 3.37Å; Y139-W180 HydrophobicContact CD2-CB 4.35Å; Y139-W180 AromaticContact CD2-CD1 3.46Å; Y139-W180 VanDerWaalsContact CD2-CD1 3.46Å; Y139-W180 AromaticContact CD2-CD2 3.48Å; Y139-W180 HydrophobicContact CD2-CD2 3.48Å; Y139-W180 VanDerWaalsContact CD2-CD2 3.48Å; Y139-W180 AromaticContact CD2-CE2 3.37Å; Y139-W180 HydrophobicContact CD2-CE3 4.18Å; Y139-W180 AromaticContact CD2-CG 3.54Å; Y139-W180 HydrophobicContact CD2-CG 3.54Å; Y139-W180 AromaticContact CD2-CZ2 4Å; Y139-W180 HydrophobicContact CD2-CZ2 4Å; Y139-W180 AromaticContact CD2-NE1 3.3Å; Y139-W180 VanDerWaalsContact CD2-NE1 3.3Å; Y139-W180 HydrophobicContact CE2-CB 3.96Å; Y139-W180 AromaticContact CE2-CD1 3.65Å; Y139-W180 HydrophobicContact CE2-CD2 4.01Å; Y139-W180 AromaticContact CE2-CG 3.62Å; Y139-W180 HydrophobicContact CE2-CG 3.62Å; Y139-W180 AromaticContact CE2-NE1 3.99Å; Y139-W180 HydrophobicContact CG-CD2 4.46Å; Y139-W180 AromaticContact CG-CE2 3.92Å; Y139-W180 HydrophobicContact CG-CZ2 4.3Å; Y139-W180 AromaticContact CG-NE1 3.67Å; L142-W180 HydrophobicContact CD2-CE3 4.05Å; L142-W180 HydrophobicContact CD2-CZ3 4.09Å; A176-W180 PolarHBondContact O-N 3.11Å; A176-W180 VanDerWaalsContact O-N 3.11Å; L178-W180 VanDerWaalsContact C-N 3.3Å; L178-W180 PolarHBondContact O-N 3.1Å; W180-V182 VanDerWaalsContact C-N 3.29Å; W180-V182 PolarHBondContact O-N 3.05Å; W180-D183 PolarHBondContact O-N 2.88Å; W180-L184 WeakPolarHBondContact O-CB 3.29Å; W180-L184 WeakPolarHBondContact O-CG 3.33Å; W180-L184 PolarHBondContact O-N 2.81Å
181	L	93.6	Very high	92.7	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-39.2	-178	-62.3	177	0	0	0	111.7	L156 R177 L178 F185 L188 L210 I219 F221	L156-L181 HydrophobicContact CB-CD2 4.28Å; L156-L181 HydrophobicContact CD2-CD1 4.23Å; L156-L181 HydrophobicContact CD2-CD2 3.89Å; L156-L181 HydrophobicContact CD2-CG 3.87Å; R177-L181 PolarHBondContact O-N 2.84Å; L178-L181 PolarHBondContact O-N 3.3Å; L178-L181 VanDerWaalsContact O-N 3.11Å; L181-F185 HydrophobicContact CD2-CD2 4.19Å; L181-F185 HydrophobicContact CD2-CE2 3.97Å; L181-F185 WeakPolarHBondContact O-CB 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 2.88Å; L181-F185 PolarHBondContact O-N 3.49Å; L181-L188 HydrophobicContact CB-CD1 3.66Å; L181-L210 HydrophobicContact CD1-CD1 3.93Å; L181-I219 HydrophobicContact CD1-CG2 4.3Å; L181-I219 HydrophobicContact CD2-CG2 4.34Å; L181-F221 HydrophobicContact CD1-CB 4.06Å; L181-F221 HydrophobicContact CD1-CD2 3.92Å; L181-F221 HydrophobicContact CD1-CG 4.12Å
182	V	94	Very high	92.6	Very high	62 Å²	62	53 Å²	53	38%	0.376	28%	0.282	S	S	.	.	H	α-helix	trans	-70.5	-41.6	178.8	174.4	0	0	0	0	112	L178 S179 W180 G186 L188	L178-V182 HydrophobicContact CD1-CG2 4.41Å; L178-V182 HydrophobicContact CG-CG2 4.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.33Å; L178-V182 PolarHBondContact O-N 2.81Å; S179-V182 PolarHBondContact O-N 3.07Å; W180-V182 VanDerWaalsContact C-N 3.29Å; W180-V182 PolarHBondContact O-N 3.05Å; V182-G186 WeakPolarHBondContact CA-O 3.41Å; V182-G186 CarbonylContact O-C 3.59Å; V182-G186 WeakPolarHBondContact O-CA 3.43Å; V182-G186 PolarHBondContact O-N 2.89Å; V182-L188 HydrophobicContact CG2-CD1 4.09Å; V182-L188 HydrophobicContact CG2-CG 4.27Å
183	D	95.2	Very high	92.6	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-72.3	-28.9	178.3	-176	69.4	0	0	0	112.6	L134 Y139 K143 S179 W180	L134-D183 HydrophobicContact CD2-CB 4.04Å; Y139-D183 WeakPolarHBondContact CE1-OD2 3.45Å; Y139-D183 VanDerWaalsContact CZ-OD2 3.29Å; Y139-D183 WeakPolarHBondContact OH-CB 3.46Å; Y139-D183 PolarHBondContact OH-OD2 3.03Å; K143-D183 IonicContact NZ-OD1 2.75Å; K143-D183 PolarHBondContact NZ-OD1 3.39Å; K143-D183 IonicContact NZ-OD2 2.83Å; K143-D183 PolarHBondContact NZ-OD2 2.82Å; S179-D183 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 3.1Å; W180-D183 PolarHBondContact O-N 2.88Å
184	L	93.4	Very high	92.8	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-80.4	-40	176.1	-65.6	172.1	0	0	0	113.2	Y139 L142 K143 V146 W180	Y139-L184 HydrophobicContact CE2-CD1 4.09Å; Y139-L184 HydrophobicContact CE2-CD2 3.94Å; Y139-L184 HydrophobicContact CE2-CG 3.87Å; L142-L184 HydrophobicContact CD2-CD1 3.65Å; L142-L184 HydrophobicContact CG-CD1 3.98Å; K143-L184 HydrophobicContact CB-CD2 3.88Å; K143-L184 HydrophobicContact CG-CD2 4.06Å; V146-L184 HydrophobicContact CG2-CD2 3.77Å; W180-L184 WeakPolarHBondContact O-CB 3.29Å; W180-L184 WeakPolarHBondContact O-CG 3.33Å; W180-L184 PolarHBondContact O-N 2.81Å
185	F	90.8	Very high	92.9	Very high	51 Å²	51	60.1 Å²	60.1	22%	0.224	33%	0.33	C	S	.	.	H	α-helix	trans	-122.4	3.3	-166.7	-50.5	-57.5	0	0	0	114.4	L151 L181 L188 T212 I219	L151-F185 HydrophobicContact CB-CD1 4.29Å; L151-F185 HydrophobicContact CB-CE1 4.15Å; L151-F185 HydrophobicContact CD1-CE1 4.11Å; L151-F185 HydrophobicContact CD1-CZ 4.02Å; L151-F185 HydrophobicContact CD2-CD1 3.85Å; L151-F185 HydrophobicContact CD2-CD2 4.03Å; L151-F185 HydrophobicContact CD2-CE1 3.84Å; L151-F185 HydrophobicContact CD2-CE2 4.01Å; L151-F185 HydrophobicContact CD2-CG 3.95Å; L151-F185 HydrophobicContact CD2-CZ 3.91Å; L151-F185 HydrophobicContact CG-CE1 4.27Å; L151-F185 HydrophobicContact CG-CZ 4.48Å; L181-F185 HydrophobicContact CD2-CD2 4.19Å; L181-F185 HydrophobicContact CD2-CE2 3.97Å; L181-F185 WeakPolarHBondContact O-CB 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 2.88Å; L181-F185 PolarHBondContact O-N 3.49Å; F185-L188 HydrophobicContact CB-CD2 4.47Å; F185-T212 HydrophobicContact CB-CG2 3.96Å; F185-I219 HydrophobicContact CD2-CD1 3.9Å; F185-I219 HydrophobicContact CE2-CD1 4.47Å; F185-I219 HydrophobicContact CG-CD1 4.36Å
186	G	91.1	Very high	92.7	Very high	32 Å²	32	62.7 Å²	62.7	33%	0.33	34%	0.341	S	S	.	.			trans	79.2	-165.6	-179.4	0	0	0	0	0	113.4	V182 L188	V182-G186 WeakPolarHBondContact CA-O 3.41Å; V182-G186 CarbonylContact O-C 3.59Å; V182-G186 WeakPolarHBondContact O-CA 3.43Å; V182-G186 PolarHBondContact O-N 2.89Å; G186-L188 WeakPolarHBondContact O-CG 3.43Å; G186-L188 PolarHBondContact O-N 3.06Å
187	E	91.6	Very high	92.5	Very high	166 Å²	166	69.2 Å²	69.2	78%	0.776	37%	0.372	S	S	*	.			trans	-59.2	136.7	179.6	-67.9	-175.1	176.3	0	0	112
188	L	90.9	Very high	92.1	Very high	35 Å²	35	69.7 Å²	69.7	18%	0.183	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.4	-177	-55.2	176.5	0	0	0	110.6	L178 L181 V182 F185 G186 L210 L211 T212 I219	L178-L188 HydrophobicContact CD1-CD1 4.23Å; L181-L188 HydrophobicContact CB-CD1 3.66Å; V182-L188 HydrophobicContact CG2-CD1 4.09Å; V182-L188 HydrophobicContact CG2-CG 4.27Å; F185-L188 HydrophobicContact CB-CD2 4.47Å; G186-L188 WeakPolarHBondContact O-CG 3.43Å; G186-L188 PolarHBondContact O-N 3.06Å; L188-L210 HydrophobicContact CB-CB 4.37Å; L188-L210 HydrophobicContact CD1-CB 4.36Å; L188-L210 HydrophobicContact CD1-CD1 3.83Å; L188-L211 CarbonylContact C-O 3.49Å; L188-L211 VanDerWaalsContact CA-O 3.3Å; L188-L211 WeakPolarHBondContact CA-O 2.93Å; L188-T212 HydrophobicContact CD2-CG2 3.71Å; L188-I219 HydrophobicContact CD2-CD1 4.32Å
189	S	91.1	Very high	91.5	Very high	77 Å²	77	70.8 Å²	70.8	54%	0.538	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.1	170.4	-65.2	0	0	0	0	110.7	L210 L211	S189-L210 CarbonylContact O-C 3.47Å; S189-L210 WeakPolarHBondContact O-CA 3.42Å; S189-L211 PolarHBondContact N-O 3.25Å; S189-L211 PolarHBondContact O-N 2.85Å
190	V	91.8	Very high	90.8	Very high	103 Å²	103	79.6 Å²	79.6	62%	0.624	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.2	176.6	-176.6	0	0	0	0	109.8	L210	V190-L210 HydrophobicContact CB-CD2 4.4Å; V190-L210 HydrophobicContact CG2-CD2 3.86Å
191	R	91.1	Very high	90	Very high	146 Å²	146	83.6 Å²	83.6	55%	0.551	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-44.7	174.4	-179.9	178.4	-179.5	174.2	-2.4	112.1	Q209 L211 D218	R191-Q209 HydrophobicContact CB-CB 4.15Å; R191-Q209 PolarHBondContact N-O 2.81Å; R191-L211 HydrophobicContact CB-CD1 4.09Å; R191-L211 HydrophobicContact CB-CG 4.14Å; R191-D218 IonicContact CZ-OD1 2.72Å; R191-D218 VanDerWaalsContact NH1-CG 3.25Å; R191-D218 IonicContact NH1-OD1 2.98Å; R191-D218 PolarHBondContact NH1-OD1 3.08Å; R191-D218 IonicContact NH1-OD2 3.44Å; R191-D218 PolarHBondContact NH1-OD2 3.21Å
192	A	91.5	Very high	89.2	Confident	39 Å²	39	84.2 Å²	84.2	32%	0.322	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	152.2	179.5	0	0	0	0	0	110.2	A208 Q209	A192-A208 CarbonylContact O-C 3.46Å; A192-A208 WeakPolarHBondContact O-CA 3.37Å; A192-Q209 HydrophobicContact CB-CB 4.28Å; A192-Q209 HydrophobicContact CB-CG 4.47Å; A192-Q209 PolarHBondContact N-O 2.87Å; A192-Q209 PolarHBondContact O-N 2.87Å
193	A	92.6	Very high	88.7	Confident	69 Å²	69	84.1 Å²	84.1	57%	0.57	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.4	168.5	0	0	0	0	0	109.9	T207 A208	A193-T207 CarbonylContact C-O 3.52Å; A193-T207 VanDerWaalsContact CA-O 3.24Å; A193-T207 WeakPolarHBondContact CA-O 3.41Å; A193-A208 HydrophobicContact CB-CB 4.48Å
194	T	93.6	Very high	88.4	Confident	78 Å²	78	81.7 Å²	81.7	48%	0.479	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.1	173.5	61.8	0	0	0	0	109.8	M206 T207	T194-M206 WeakPolarHBondContact O-CA 3.21Å; T194-T207 PolarHBondContact N-O 2.85Å; T194-T207 PolarHBondContact O-N 2.87Å
195	F	92.7	Very high	88.2	Confident	85 Å²	85	82.6 Å²	82.6	37%	0.373	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.3	174.2	-178.8	-110.2	0	0	0	108.9	F169 P170 E197 K205 M206	F169-F195 HydrophobicContact CE2-CD1 4.25Å; F169-F195 HydrophobicContact CE2-CD2 4.01Å; F169-F195 HydrophobicContact CE2-CE1 4.43Å; F169-F195 HydrophobicContact CE2-CE2 4.22Å; F169-F195 HydrophobicContact CE2-CG 4.03Å; F169-F195 HydrophobicContact CE2-CZ 4.41Å; F169-F195 HydrophobicContact CZ-CB 4.35Å; F169-F195 HydrophobicContact CZ-CD2 4.04Å; F169-F195 HydrophobicContact CZ-CG 4.13Å; P170-F195 HydrophobicContact CG-CE2 3.89Å; F195-E197 HydrophobicContact CE1-CB 3.84Å; F195-E197 HydrophobicContact CZ-CB 4.07Å; F195-K205 CarbonylContact C-O 3.54Å; F195-K205 WeakPolarHBondContact CA-O 3.36Å; F195-M206 HydrophobicContact CD2-CB 4.23Å
196	E	90.9	Very high	88.3	Confident	94 Å²	94	80.9 Å²	80.9	44%	0.439	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.6	178.8	-64	169.3	-122.9	0	0	108	S204 K205	E196-S204 CarbonylContact O-C 3.52Å; E196-S204 VanDerWaalsContact O-CA 3.27Å; E196-S204 WeakPolarHBondContact O-CA 3.4Å; E196-K205 PolarHBondContact N-O 3.37Å; E196-K205 PolarHBondContact O-N 2.88Å
197	E	88.9	Confident	88.3	Confident	137 Å²	137	80.2 Å²	80.2	64%	0.64	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.9	179	-174.9	177.2	-158.6	0	0	110.1	F195 Y203	F195-E197 HydrophobicContact CE1-CB 3.84Å; F195-E197 HydrophobicContact CZ-CB 4.07Å; E197-Y203 WeakPolarHBondContact CA-O 3.31Å
198	D	86.6	Confident	88.3	Confident	50 Å²	50	72.8 Å²	72.8	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	94.2	164.6	-176.9	-15.6	0	0	0	108.1	K200 Q201 G202 Y203	D198-K200 PolarHBondContact O-N 3.47Å; D198-K200 WeakPolarHBondContact OD1-CB 3.23Å; D198-K200 PolarHBondContact OD1-N 2.72Å; D198-Q201 HydrophobicContact CB-CB 4.35Å; D198-Q201 CarbonylContact O-C 3.41Å; D198-Q201 PolarHBondContact O-N 3.43Å; D198-Q201 PolarHBondContact OD1-N 3.42Å; D198-Q201 VanDerWaalsContact OD2-CD 3.31Å; D198-Q201 WeakPolarHBondContact OD2-CG 3.24Å; D198-Q201 PolarHBondContact OD2-NE2 2.83Å; D198-G202 WeakPolarHBondContact O-CA 3.4Å; D198-G202 PolarHBondContact O-N 3.28Å; D198-Y203 HydrophobicContact CB-CD1 4.45Å; D198-Y203 PolarHBondContact N-O 2.78Å; D198-Y203 PolarHBondContact O-N 3.4Å
199	A	79.2	Confident	88.3	Confident	83 Å²	83	74.5 Å²	74.5	69%	0.686	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.4	-179.4	0	0	0	0	0	113.6	G202	A199-G202 PolarHBondContact O-N 2.79Å
200	K	80.6	Confident	88.3	Confident	204 Å²	204	71.1 Å²	71.1	89%	0.887	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.5	178.9	-64.8	179.5	179.5	175.5	0	111.5	D198 G202	D198-K200 PolarHBondContact O-N 3.47Å; D198-K200 WeakPolarHBondContact OD1-CB 3.23Å; D198-K200 PolarHBondContact OD1-N 2.72Å; K200-G202 VanDerWaalsContact C-N 3.34Å
201	Q	78	Confident	88.2	Confident	135 Å²	135	68.6 Å²	68.6	63%	0.631	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.5	173.9	-60.9	-174.8	37.9	0	0	112	D198 Y203 L227	D198-Q201 HydrophobicContact CB-CB 4.35Å; D198-Q201 CarbonylContact O-C 3.41Å; D198-Q201 PolarHBondContact O-N 3.43Å; D198-Q201 PolarHBondContact OD1-N 3.42Å; D198-Q201 VanDerWaalsContact OD2-CD 3.31Å; D198-Q201 WeakPolarHBondContact OD2-CG 3.24Å; D198-Q201 PolarHBondContact OD2-NE2 2.83Å; Q201-Y203 PolarHBondContact O-N 2.82Å; Q201-L227 VanDerWaalsContact O-CB 3.23Å; Q201-L227 WeakPolarHBondContact O-CB 3.23Å
202	G	77.6	Confident	88	Confident	21 Å²	21	62.1 Å²	62.1	22%	0.216	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	29.6	-175.1	0	0	0	0	0	113.5	D198 A199 K200 L227	D198-G202 WeakPolarHBondContact O-CA 3.4Å; D198-G202 PolarHBondContact O-N 3.28Å; A199-G202 PolarHBondContact O-N 2.79Å; K200-G202 VanDerWaalsContact C-N 3.34Å; G202-L227 VanDerWaalsContact O-CB 3.31Å; G202-L227 WeakPolarHBondContact O-CB 3.38Å; G202-L227 VanDerWaalsContact O-CD1 3.28Å; G202-L227 WeakPolarHBondContact O-CD1 3.37Å; G202-L227 WeakPolarHBondContact O-CG 3.36Å; G202-L227 PolarHBondContact O-N 2.98Å
203	Y	84.6	Confident	87.3	Confident	60 Å²	60	64.3 Å²	64.3	24%	0.235	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.5	179.8	166.7	-98	0	0	0	109.7	E197 D198 Q201 K205 T224 F226	E197-Y203 WeakPolarHBondContact CA-O 3.31Å; D198-Y203 HydrophobicContact CB-CD1 4.45Å; D198-Y203 PolarHBondContact N-O 2.78Å; D198-Y203 PolarHBondContact O-N 3.4Å; Q201-Y203 PolarHBondContact O-N 2.82Å; Y203-K205 HydrophobicContact CE1-CB 4.08Å; Y203-K205 HydrophobicContact CE2-CB 4.3Å; Y203-K205 VanDerWaalsContact OH-CB 3.26Å; Y203-K205 WeakPolarHBondContact OH-CB 3.47Å; Y203-K205 WeakPolarHBondContact OH-CD 3.48Å; Y203-T224 HydrophobicContact CE2-CG2 3.89Å; Y203-F226 HydrophobicContact CD2-CD1 4.1Å; Y203-F226 HydrophobicContact CD2-CE1 4.41Å; Y203-F226 HydrophobicContact CE2-CD1 4.2Å; Y203-F226 HydrophobicContact CE2-CE1 4.06Å
204	S	88.1	Confident	86.1	Confident	19 Å²	19	65.8 Å²	65.8	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.4	166.1	61.8	0	0	0	0	111.3	E196 A225	E196-S204 CarbonylContact O-C 3.52Å; E196-S204 VanDerWaalsContact O-CA 3.27Å; E196-S204 WeakPolarHBondContact O-CA 3.4Å; S204-A225 PolarHBondContact N-O 2.82Å; S204-A225 VanDerWaalsContact N-O 3.08Å; S204-A225 CarbonylContact O-C 3.57Å; S204-A225 PolarHBondContact O-N 2.91Å
205	K	89.6	Confident	84.3	Confident	51 Å²	51	66.7 Å²	66.7	22%	0.222	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.6	178.6	179.3	177.6	176.1	-170.4	0	110	F195 E196 Y203 T207 T224	F195-K205 CarbonylContact C-O 3.54Å; F195-K205 WeakPolarHBondContact CA-O 3.36Å; E196-K205 PolarHBondContact N-O 3.37Å; E196-K205 PolarHBondContact O-N 2.88Å; Y203-K205 HydrophobicContact CE1-CB 4.08Å; Y203-K205 HydrophobicContact CE2-CB 4.3Å; Y203-K205 VanDerWaalsContact OH-CB 3.26Å; Y203-K205 WeakPolarHBondContact OH-CB 3.47Å; Y203-K205 WeakPolarHBondContact OH-CD 3.48Å; K205-T207 WeakPolarHBondContact CE-OG1 3.31Å; K205-T224 HydrophobicContact CB-CG2 4.24Å; K205-T224 HydrophobicContact CG-CG2 4.33Å
206	M	91.8	Very high	82.5	Confident	15 Å²	15	71.6 Å²	71.6	7%	0.074	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131	168	-172.4	-174.7	80.6	0	0	109	F169 P170 A171 T194 F195 F221 L223	F169-M206 HydrophobicContact CE1-SD 3.65Å; F169-M206 HydrophobicContact CZ-SD 4.21Å; P170-M206 HydrophobicContact CB-CB 4.29Å; P170-M206 HydrophobicContact CB-SD 4.37Å; A171-M206 HydrophobicContact CB-CE 4.01Å; A171-M206 HydrophobicContact CB-SD 3.73Å; T194-M206 WeakPolarHBondContact O-CA 3.21Å; F195-M206 HydrophobicContact CD2-CB 4.23Å; M206-F221 HydrophobicContact CE-CD1 4.26Å; M206-F221 HydrophobicContact CE-CE1 3.88Å; M206-L223 HydrophobicContact CB-CB 4.4Å; M206-L223 HydrophobicContact CE-CB 4.08Å; M206-L223 HydrophobicContact CE-CD2 4.13Å; M206-L223 PolarHBondContact N-O 3.16Å; M206-L223 CarbonylContact O-C 3.58Å; M206-L223 PolarHBondContact O-N 2.88Å
207	T	91.1	Very high	80.8	Confident	18 Å²	18	68.3 Å²	68.3	11%	0.11	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.3	170.8	-53.2	0	0	0	0	108.1	A193 T194 K205 I220 F222	A193-T207 CarbonylContact C-O 3.52Å; A193-T207 VanDerWaalsContact CA-O 3.24Å; A193-T207 WeakPolarHBondContact CA-O 3.41Å; T194-T207 PolarHBondContact N-O 2.85Å; T194-T207 PolarHBondContact O-N 2.87Å; K205-T207 WeakPolarHBondContact CE-OG1 3.31Å; T207-I220 HydrophobicContact CG2-CG2 4.1Å; T207-F222 HydrophobicContact CG2-CD1 3.58Å; T207-F222 HydrophobicContact CG2-CE1 3.45Å; T207-F222 VanDerWaalsContact CG2-CE1 3.45Å; T207-F222 HydrophobicContact CG2-CG 4.49Å; T207-F222 HydrophobicContact CG2-CZ 4.29Å
208	A	92.2	Very high	79.4	Confident	10 Å²	10	65 Å²	65	8%	0.083	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.8	175.6	0	0	0	0	0	110.2	A192 A193 L210 F221	A192-A208 CarbonylContact O-C 3.46Å; A192-A208 WeakPolarHBondContact O-CA 3.37Å; A193-A208 HydrophobicContact CB-CB 4.48Å; A208-L210 HydrophobicContact CB-CD2 4.36Å; A208-F221 HydrophobicContact CB-CB 4.47Å; A208-F221 HydrophobicContact CB-CD1 4.35Å; A208-F221 PolarHBondContact N-O 3.09Å; A208-F221 PolarHBondContact O-N 2.82Å; A208-F221 VanDerWaalsContact O-O 3.12Å
209	Q	91.3	Very high	78.3	Confident	70 Å²	70	62.7 Å²	62.7	33%	0.327	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.2	170.3	-64.7	177.8	6.9	0	0	108	R191 A192 I220	R191-Q209 HydrophobicContact CB-CB 4.15Å; R191-Q209 PolarHBondContact N-O 2.81Å; A192-Q209 HydrophobicContact CB-CB 4.28Å; A192-Q209 HydrophobicContact CB-CG 4.47Å; A192-Q209 PolarHBondContact N-O 2.87Å; A192-Q209 PolarHBondContact O-N 2.87Å; Q209-I220 HydrophobicContact CG-CG2 4.5Å
210	L	91.2	Very high	77.6	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.7	-174.5	-55.8	175.7	0	0	0	109.5	L178 L181 L188 S189 V190 A208 I219 F221	L178-L210 HydrophobicContact CD1-CD1 3.71Å; L181-L210 HydrophobicContact CD1-CD1 3.93Å; L188-L210 HydrophobicContact CB-CB 4.37Å; L188-L210 HydrophobicContact CD1-CB 4.36Å; L188-L210 HydrophobicContact CD1-CD1 3.83Å; S189-L210 CarbonylContact O-C 3.47Å; S189-L210 WeakPolarHBondContact O-CA 3.42Å; V190-L210 HydrophobicContact CB-CD2 4.4Å; V190-L210 HydrophobicContact CG2-CD2 3.86Å; A208-L210 HydrophobicContact CB-CD2 4.36Å; L210-I219 HydrophobicContact CB-CB 4.42Å; L210-I219 PolarHBondContact N-O 2.85Å; L210-I219 PolarHBondContact O-N 3.23Å; L210-F221 HydrophobicContact CD1-CB 4.03Å
211	L	88.5	Confident	77	Confident	50 Å²	50	52.1 Å²	52.1	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.2	179	-63.1	173.7	0	0	0	109.6	L188 S189 R191 D218	L188-L211 CarbonylContact C-O 3.49Å; L188-L211 VanDerWaalsContact CA-O 3.3Å; L188-L211 WeakPolarHBondContact CA-O 2.93Å; S189-L211 PolarHBondContact N-O 3.25Å; S189-L211 PolarHBondContact O-N 2.85Å; R191-L211 HydrophobicContact CB-CD1 4.09Å; R191-L211 HydrophobicContact CB-CG 4.14Å; L211-D218 VanDerWaalsContact CD2-OD1 3.23Å; L211-D218 WeakPolarHBondContact CD2-OD1 3.41Å
212	T	86.7	Confident	76.2	Confident	9 Å²	9	48.3 Å²	48.3	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	154.4	170.9	49.4	0	0	0	0	111.3	F185 L188 D214 S215 I219	F185-T212 HydrophobicContact CB-CG2 3.96Å; L188-T212 HydrophobicContact CD2-CG2 3.71Å; T212-D214 WeakPolarHBondContact CB-OD1 3.37Å; T212-D214 PolarHBondContact O-N 3.4Å; T212-D214 PolarHBondContact OG1-OD1 2.81Å; T212-S215 PolarHBondContact O-N 2.85Å; T212-I219 HydrophobicContact CG2-CD1 3.63Å; T212-I219 HydrophobicContact CG2-CG1 4.4Å
213	S	76.6	Confident	75.5	Confident	86 Å²	86	47.8 Å²	47.8	60%	0.601	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.4	-177.8	53.1	0	0	0	0	114.5	S215	S213-S215 PolarHBondContact O-N 2.79Å; S213-S215 VanDerWaalsContact O-N 3.16Å; S213-S215 PolarHBondContact O-OG 2.82Å
214	D	68.8	Low	74.3	Confident	100 Å²	100	45.1 Å²	45.1	54%	0.535	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	3.8	172.7	61.1	-1.6	0	0	0	114.2	T212 K216	T212-D214 WeakPolarHBondContact CB-OD1 3.37Å; T212-D214 PolarHBondContact O-N 3.4Å; T212-D214 PolarHBondContact OG1-OD1 2.81Å; D214-K216 PolarHBondContact O-N 2.98Å
215	S	56.2	Low	72.9	Confident	97 Å²	97	44.7 Å²	44.7	68%	0.678	24%	0.239	S	C	*	.	S	Bend	trans	68.6	25.2	152.8	-60.6	0	0	0	0	118.2	T212 S213	T212-S215 PolarHBondContact O-N 2.85Å; S213-S215 PolarHBondContact O-N 2.79Å; S213-S215 VanDerWaalsContact O-N 3.16Å; S213-S215 PolarHBondContact O-OG 2.82Å
216	K	53.7	Low	71.1	Confident	188 Å²	188	46 Å²	46	82%	0.817	25%	0.245	S	C	*	.			trans	-140.4	2.8	171.2	-72.4	-167.8	-179.2	178.1	0	117.5	D214	D214-K216 PolarHBondContact O-N 2.98Å
217	L	56	Low	69	Low	25 Å²	25	49.1 Å²	49.1	13%	0.131	26%	0.262	C	S	.	.			trans	-123.3	120	-162.8	-49.9	172.9	0	0	0	110.7	L151 L152 I219	L151-L217 WeakPolarHBondContact O-CD1 3.32Å; L152-L217 WeakPolarHBondContact O-CB 3.27Å; L152-L217 VanDerWaalsContact O-CD2 3.24Å; L152-L217 WeakPolarHBondContact O-CD2 3.39Å; L217-I219 PolarHBondContact O-N 2.88Å
218	D	59	Low	66.5	Low	67 Å²	67	53.1 Å²	53.1	36%	0.358	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	113.1	177.5	-76	-43.5	0	0	0	108.8	R191 L211	R191-D218 IonicContact CZ-OD1 2.72Å; R191-D218 VanDerWaalsContact NH1-CG 3.25Å; R191-D218 IonicContact NH1-OD1 2.98Å; R191-D218 PolarHBondContact NH1-OD1 3.08Å; R191-D218 IonicContact NH1-OD2 3.44Å; R191-D218 PolarHBondContact NH1-OD2 3.21Å; L211-D218 VanDerWaalsContact CD2-OD1 3.23Å; L211-D218 WeakPolarHBondContact CD2-OD1 3.41Å
219	I	63.1	Low	64	Low	2 Å²	2	59.3 Å²	59.3	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.7	165.3	-55.6	-179.8	0	0	0	107.5	L151 G154 L181 F185 L188 L210 T212 L217	L151-I219 HydrophobicContact CD2-CD1 3.36Å; L151-I219 HydrophobicContact CD2-CG1 3.66Å; G154-I219 WeakPolarHBondContact O-CA 3.48Å; L181-I219 HydrophobicContact CD1-CG2 4.3Å; L181-I219 HydrophobicContact CD2-CG2 4.34Å; F185-I219 HydrophobicContact CD2-CD1 3.9Å; F185-I219 HydrophobicContact CE2-CD1 4.47Å; F185-I219 HydrophobicContact CG-CD1 4.36Å; L188-I219 HydrophobicContact CD2-CD1 4.32Å; L210-I219 HydrophobicContact CB-CB 4.42Å; L210-I219 PolarHBondContact N-O 2.85Å; L210-I219 PolarHBondContact O-N 3.23Å; T212-I219 HydrophobicContact CG2-CD1 3.63Å; T212-I219 HydrophobicContact CG2-CG1 4.4Å; L217-I219 PolarHBondContact O-N 2.88Å
220	I	65.6	Low	61.4	Low	57 Å²	57	61 Å²	61	29%	0.292	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	105.8	176.1	-48.4	179.5	0	0	0	108.9	G154 S155 L156 T207 Q209 F222	G154-I220 PolarHBondContact O-N 2.71Å; S155-I220 WeakPolarHBondContact CA-O 3.17Å; S155-I220 WeakPolarHBondContact CB-O 3.26Å; L156-I220 PolarHBondContact N-O 3.48Å; T207-I220 HydrophobicContact CG2-CG2 4.1Å; Q209-I220 HydrophobicContact CG-CG2 4.5Å; I220-F222 HydrophobicContact CB-CE2 3.9Å; I220-F222 HydrophobicContact CB-CZ 4.27Å; I220-F222 HydrophobicContact CG2-CD2 4.04Å; I220-F222 HydrophobicContact CG2-CE1 3.99Å; I220-F222 HydrophobicContact CG2-CE2 3.33Å; I220-F222 HydrophobicContact CG2-CZ 3.3Å
221	F	67.4	Low	58.9	Low	8 Å²	8	66.3 Å²	66.3	4%	0.035	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	175	178.2	-117	0	0	0	110.7	L156 R177 L181 M206 A208 L210 L223	L156-F221 HydrophobicContact CB-CD2 4.01Å; L156-F221 HydrophobicContact CB-CE2 4.44Å; L156-F221 HydrophobicContact CD2-CD2 4.05Å; L156-F221 HydrophobicContact CD2-CE2 3.92Å; L156-F221 HydrophobicContact CG-CD2 4.07Å; L156-F221 HydrophobicContact CG-CE2 4Å; L156-F221 WeakPolarHBondContact O-CD2 3.27Å; R177-F221 HydrophobicContact CB-CE2 3.46Å; R177-F221 VanDerWaalsContact CB-CE2 3.46Å; R177-F221 HydrophobicContact CB-CZ 3.55Å; R177-F221 HydrophobicContact CG-CE2 4.14Å; R177-F221 HydrophobicContact CG-CZ 4.45Å; L181-F221 HydrophobicContact CD1-CB 4.06Å; L181-F221 HydrophobicContact CD1-CD2 3.92Å; L181-F221 HydrophobicContact CD1-CG 4.12Å; M206-F221 HydrophobicContact CE-CD1 4.26Å; M206-F221 HydrophobicContact CE-CE1 3.88Å; A208-F221 HydrophobicContact CB-CB 4.47Å; A208-F221 HydrophobicContact CB-CD1 4.35Å; A208-F221 PolarHBondContact N-O 3.09Å; A208-F221 PolarHBondContact O-N 2.82Å; A208-F221 VanDerWaalsContact O-O 3.12Å; L210-F221 HydrophobicContact CD1-CB 4.03Å; F221-L223 HydrophobicContact CE1-CB 3.87Å; F221-L223 HydrophobicContact CZ-CB 3.9Å; F221-L223 HydrophobicContact CZ-CD1 4.44Å
222	F	62.1	Low	56.5	Low	54 Å²	54	71 Å²	71	24%	0.237	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.7	175.3	-60.9	-87.7	0	0	0	109.8	L156 H157 F158 T207 I220	L156-F222 PolarHBondContact O-N 3.31Å; L156-F222 VanDerWaalsContact O-O 3.12Å; H157-F222 VanDerWaalsContact CA-O 3.31Å; H157-F222 WeakPolarHBondContact CA-O 3.28Å; H157-F222 HydrophobicContact CB-CB 4.27Å; F158-F222 PolarHBondContact N-O 3.26Å; F158-F222 VanDerWaalsContact N-O 3.09Å; T207-F222 HydrophobicContact CG2-CD1 3.58Å; T207-F222 HydrophobicContact CG2-CE1 3.45Å; T207-F222 VanDerWaalsContact CG2-CE1 3.45Å; T207-F222 HydrophobicContact CG2-CG 4.49Å; T207-F222 HydrophobicContact CG2-CZ 4.29Å; I220-F222 HydrophobicContact CB-CE2 3.9Å; I220-F222 HydrophobicContact CB-CZ 4.27Å; I220-F222 HydrophobicContact CG2-CD2 4.04Å; I220-F222 HydrophobicContact CG2-CE1 3.99Å; I220-F222 HydrophobicContact CG2-CE2 3.33Å; I220-F222 HydrophobicContact CG2-CZ 3.3Å
223	L	61.8	Low	54	Low	10 Å²	10	80.8 Å²	80.8	5%	0.052	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.7	167.3	-175.7	66.8	0	0	0	108.4	F158 P170 M206 F221	F158-L223 HydrophobicContact CB-CD1 3.91Å; F158-L223 HydrophobicContact CD1-CD1 3.63Å; F158-L223 HydrophobicContact CG-CD1 4.18Å; P170-L223 VanDerWaalsContact C-CD2 3.44Å; P170-L223 HydrophobicContact CB-CD2 3.62Å; P170-L223 HydrophobicContact CB-CG 4.47Å; P170-L223 WeakPolarHBondContact O-CD2 3.33Å; M206-L223 HydrophobicContact CB-CB 4.4Å; M206-L223 HydrophobicContact CE-CB 4.08Å; M206-L223 HydrophobicContact CE-CD2 4.13Å; M206-L223 PolarHBondContact N-O 3.16Å; M206-L223 CarbonylContact O-C 3.58Å; M206-L223 PolarHBondContact O-N 2.88Å; F221-L223 HydrophobicContact CE1-CB 3.87Å; F221-L223 HydrophobicContact CZ-CB 3.9Å; F221-L223 HydrophobicContact CZ-CD1 4.44Å
224	T	58.7	Low	52.9	Low	4 Å²	4	80.6 Å²	80.6	3%	0.025	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126	179	-50.1	0	0	0	0	109.6	H157 F158 A159 G160 Y203 K205 F226	H157-T224 WeakPolarHBondContact NE2-CB 3.04Å; H157-T224 PolarHBondContact NE2-OG1 2.97Å; F158-T224 PolarHBondContact O-N 3.23Å; A159-T224 VanDerWaalsContact CA-O 3.27Å; A159-T224 WeakPolarHBondContact CA-O 3.48Å; G160-T224 PolarHBondContact N-O 2.95Å; Y203-T224 HydrophobicContact CE2-CG2 3.89Å; K205-T224 HydrophobicContact CB-CG2 4.24Å; K205-T224 HydrophobicContact CG-CG2 4.33Å; T224-F226 HydrophobicContact CG2-CD1 4.2Å; T224-F226 HydrophobicContact CG2-CD2 3.92Å; T224-F226 HydrophobicContact CG2-CE1 3.79Å; T224-F226 HydrophobicContact CG2-CE2 3.47Å; T224-F226 VanDerWaalsContact CG2-CE2 3.47Å; T224-F226 HydrophobicContact CG2-CG 4.28Å; T224-F226 HydrophobicContact CG2-CZ 3.41Å; T224-F226 VanDerWaalsContact CG2-CZ 3.41Å
225	A	59.7	Low	52.1	Low	10 Å²	10	79.5 Å²	79.5	8%	0.083	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.4	168	0	0	0	0	0	108	S204	S204-A225 PolarHBondContact N-O 2.82Å; S204-A225 VanDerWaalsContact N-O 3.08Å; S204-A225 CarbonylContact O-C 3.57Å; S204-A225 PolarHBondContact O-N 2.91Å
226	F	52.7	Low	51.8	Low	80 Å²	80	78.6 Å²	78.6	35%	0.351	43%	0.429	S	S	.	.			trans	-96.3	138.9	177.5	-65.5	-81.2	0	0	0	110.7	A159 G160 G161 A162 Y203 T224	A159-F226 HydrophobicContact CB-CD2 3.82Å; A159-F226 HydrophobicContact CB-CE2 3.62Å; G160-F226 PolarHBondContact O-N 2.78Å; G161-F226 CarbonylContact C-O 3.58Å; G161-F226 WeakPolarHBondContact CA-O 3.31Å; A162-F226 PolarHBondContact N-O 3.22Å; Y203-F226 HydrophobicContact CD2-CD1 4.1Å; Y203-F226 HydrophobicContact CD2-CE1 4.41Å; Y203-F226 HydrophobicContact CE2-CD1 4.2Å; Y203-F226 HydrophobicContact CE2-CE1 4.06Å; T224-F226 HydrophobicContact CG2-CD1 4.2Å; T224-F226 HydrophobicContact CG2-CD2 3.92Å; T224-F226 HydrophobicContact CG2-CE1 3.79Å; T224-F226 HydrophobicContact CG2-CE2 3.47Å; T224-F226 VanDerWaalsContact CG2-CE2 3.47Å; T224-F226 HydrophobicContact CG2-CG 4.28Å; T224-F226 HydrophobicContact CG2-CZ 3.41Å; T224-F226 VanDerWaalsContact CG2-CZ 3.41Å
227	L	46.1	Very low	51.7	Low	80 Å²	80	72.1 Å²	72.1	42%	0.419	41%	0.406	S	S	.	.			trans	-99.2	104.9	143.9	-93.6	157.6	0	0	0	106.1	A162 Q201 G202	A162-L227 HydrophobicContact CB-CD1 3.57Å; A162-L227 HydrophobicContact CB-CD2 3.99Å; A162-L227 HydrophobicContact CB-CG 3.56Å; Q201-L227 VanDerWaalsContact O-CB 3.23Å; Q201-L227 WeakPolarHBondContact O-CB 3.23Å; G202-L227 VanDerWaalsContact O-CB 3.31Å; G202-L227 WeakPolarHBondContact O-CB 3.38Å; G202-L227 VanDerWaalsContact O-CD1 3.28Å; G202-L227 WeakPolarHBondContact O-CD1 3.37Å; G202-L227 WeakPolarHBondContact O-CG 3.36Å; G202-L227 PolarHBondContact O-N 2.98Å
228	T	38.8	Very low	51.5	Low	101 Å²	101	75.1 Å²	75.1	62%	0.62	42%	0.423	S	S	*	.			trans	-97.3	117.8	148.6	77.2	0	0	0	0	105.4	D230	T228-D230 PolarHBondContact O-N 3.2Å; T228-D230 PolarHBondContact OG1-O 3.46Å
229	T	41.1	Very low	51	Low	140 Å²	140	75.6 Å²	75.6	86%	0.859	43%	0.428	S	S	*	.	S	Bend	trans	-75.8	19.8	156.8	49.2	0	0	0	0	110.8
230	D	36.6	Very low	50.1	Low	105 Å²	105	80.9 Å²	80.9	56%	0.561	46%	0.458	S	S	*	.			trans	-128.1	106.2	-177.4	-145.6	-14	0	0	0	110.1	T228 L232	T228-D230 PolarHBondContact O-N 3.2Å; T228-D230 PolarHBondContact OG1-O 3.46Å; D230-L232 PolarHBondContact O-N 2.98Å; D230-L232 VanDerWaalsContact O-N 3.16Å
231	P	38.1	Very low	48.9	Very low	119 Å²	119	82.7 Å²	82.7	77%	0.773	47%	0.47	S	S	*	.			trans	-85.1	58.8	176.5	35.8	-32.7	0	0	0	110.1
232	L	37.4	Very low	47.4	Very low	148 Å²	148	88.9 Å²	88.9	78%	0.775	51%	0.507	S	S	*	.			trans	-150	72.6	176.4	-81.8	175.5	0	0	0	112.3	D230	D230-L232 PolarHBondContact O-N 2.98Å; D230-L232 VanDerWaalsContact O-N 3.16Å
233	T	35.5	Very low	46	Very low	216 Å²	216	92.1 Å²	92.1	100%	1.325	53%	0.531	S	S	*	.			trans	-147.5	0	134.1	47.9	0	0	0	0	108.7

Retrieved 233 of 233 residues in 1595.8 ms (Link to these results)

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