A0A3Q0KDD1_SCHMA Loading...

AD domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	37.2	Very low	70.2	Confident	222 Å²	222	92.5 Å²	92.5	100%	1.094	49%	0.491	S	S	*	.				0	94.8	0	-172.1	173.4	87.8	0	0	106.1	T3	M1-T3 PolarHBondContact O-N 3.16Å
2	M	40.9	Very low	72.2	Confident	151 Å²	151	85.2 Å²	85.2	74%	0.744	45%	0.453	S	S	*	.			trans	-66.6	121.8	169.9	-76	-127.5	-131.8	0	0	106.3
3	T	48	Very low	73.9	Confident	78 Å²	78	80.8 Å²	80.8	48%	0.479	43%	0.433	S	S	.	.			trans	-65.1	147.2	179.7	53.1	0	0	0	0	108.7	M1 D5	M1-T3 PolarHBondContact O-N 3.16Å; T3-D5 WeakPolarHBondContact CB-OD2 3.41Å; T3-D5 PolarHBondContact O-N 2.65Å; T3-D5 PolarHBondContact OG1-OD2 3.25Å
4	V	53.3	Low	75.4	Confident	59 Å²	59	75.1 Å²	75.1	36%	0.358	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	14.7	-178.5	-168.4	0	0	0	0	112.1	K35 A58	V4-K35 HydrophobicContact CG1-CD 3.94Å; V4-A58 HydrophobicContact CG1-CB 4.35Å
5	D	63	Low	76.8	Confident	128 Å²	128	72 Å²	72	68%	0.684	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-23.4	-175	-55.1	-40	0	0	0	111.9	T3 L7	T3-D5 WeakPolarHBondContact CB-OD2 3.41Å; T3-D5 PolarHBondContact O-N 2.65Å; T3-D5 PolarHBondContact OG1-OD2 3.25Å; D5-L7 PolarHBondContact O-N 3.18Å
6	N	76.7	Confident	77.9	Confident	129 Å²	129	67.6 Å²	67.6	69%	0.69	36%	0.364	S	S	*	.			trans	-101.4	80	177.7	-68.6	-9.2	0	0	0	110.3
7	L	85.8	Confident	78.9	Confident	44 Å²	44	69.4 Å²	69.4	23%	0.23	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-68	145.2	167.4	-72.6	167.1	0	0	0	109.9	D5 V30 A32 I37 A58	D5-L7 PolarHBondContact O-N 3.18Å; L7-V30 HydrophobicContact CB-CG1 4.08Å; L7-V30 HydrophobicContact CD1-CG1 3.81Å; L7-V30 HydrophobicContact CD2-CG1 4.22Å; L7-V30 HydrophobicContact CG-CG1 4.27Å; L7-A32 HydrophobicContact CD1-CB 3.91Å; L7-I37 HydrophobicContact CD2-CD1 4.05Å; L7-I37 HydrophobicContact CD2-CG1 4.16Å; L7-A58 HydrophobicContact CD2-CB 3.65Å
8	P	90.4	Very high	79.7	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.052	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-71.9	151.6	179.5	32	-36.1	0	0	0	111.3	I14 V27 V30 I37 L64	P8-I14 HydrophobicContact CB-CG2 3.6Å; P8-I14 HydrophobicContact CG-CG2 4.14Å; P8-V27 HydrophobicContact CB-CG2 3.99Å; P8-V27 HydrophobicContact CG-CG2 3.88Å; P8-V30 WeakPolarHBondContact O-CG2 3.2Å; P8-I37 HydrophobicContact CG-CD1 3.9Å; P8-I37 HydrophobicContact CG-CG1 4.41Å; P8-I37 HydrophobicContact CG-CG2 4.29Å; P8-L64 HydrophobicContact CB-CD2 4.3Å; P8-L64 HydrophobicContact CG-CD1 4.39Å; P8-L64 HydrophobicContact CG-CD2 4.28Å
9	E	91.3	Very high	80.3	Confident	141 Å²	141	67.9 Å²	67.9	66%	0.659	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-76.5	140.8	177.3	-66.7	-61.3	153.8	0	0	111.3	G11 S12	E9-G11 PolarHBondContact O-N 3.44Å; E9-S12 WeakPolarHBondContact O-CB 3.24Å; E9-S12 PolarHBondContact O-N 3.13Å; E9-S12 VanDerWaalsContact O-N 3.11Å; E9-S12 PolarHBondContact O-OG 3.19Å
10	P	92.5	Very high	80.9	Confident	48 Å²	48	72 Å²	72	31%	0.312	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	135.3	166.6	-25.6	35.4	0	0	0	111.7	S12 P72	P10-S12 VanDerWaalsContact C-N 3.35Å; P10-P72 HydrophobicContact CB-CB 4.21Å; P10-P72 HydrophobicContact CB-CG 4.22Å
11	G	93	Very high	81.5	Confident	10 Å²	10	73 Å²	73	10%	0.103	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-13.4	-175.5	0	0	0	0	0	115.3	E9 V27 G70 S71 P72	E9-G11 PolarHBondContact O-N 3.44Å; G11-V27 PolarHBondContact N-O 3.15Å; G11-G70 CarbonylContact C-O 3.41Å; G11-G70 WeakPolarHBondContact CA-O 3.49Å; G11-G70 CarbonylContact O-C 3.42Å; G11-G70 WeakPolarHBondContact O-CA 3.39Å; G11-S71 VanDerWaalsContact CA-C 3.47Å; G11-P72 VanDerWaalsContact CA-N 3.28Å
12	S	94.1	Very high	84.2	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.028	36%	0.363	C	S	.	.			trans	-77.1	145.9	174	67.5	0	0	0	0	112	E9 P10 V27 K68	E9-S12 WeakPolarHBondContact O-CB 3.24Å; E9-S12 PolarHBondContact O-N 3.13Å; E9-S12 VanDerWaalsContact O-N 3.11Å; E9-S12 PolarHBondContact O-OG 3.19Å; P10-S12 VanDerWaalsContact C-N 3.35Å; S12-V27 WeakPolarHBondContact O-CG2 3.46Å; S12-V27 PolarHBondContact O-N 2.94Å; S12-K68 CarbonylContact C-O 3.47Å; S12-K68 WeakPolarHBondContact CA-O 3.1Å; S12-K68 WeakPolarHBondContact CB-O 3.38Å
13	S	95.1	Very high	86.8	Confident	28 Å²	28	59.4 Å²	59.4	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.9	166.8	-49.4	0	0	0	0	108.9	D26 S66 T67 K68	S13-D26 WeakPolarHBondContact CB-OD1 3.4Å; S13-D26 PolarHBondContact OG-OD1 3.29Å; S13-S66 CarbonylContact O-C 3.59Å; S13-T67 PolarHBondContact O-N 2.92Å; S13-K68 PolarHBondContact N-O 3.32Å; S13-K68 PolarHBondContact O-N 3.09Å
14	I	94.9	Very high	89	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	159.8	179.7	68.4	146.3	0	0	0	113	P8 A16 R24 G25 V27 L39 L64 K65	P8-I14 HydrophobicContact CB-CG2 3.6Å; P8-I14 HydrophobicContact CG-CG2 4.14Å; I14-A16 HydrophobicContact CD1-CB 4.48Å; I14-R24 WeakPolarHBondContact O-CA 3.44Å; I14-G25 PolarHBondContact N-O 2.91Å; I14-G25 PolarHBondContact O-N 3.28Å; I14-V27 HydrophobicContact CB-CG2 4.45Å; I14-V27 HydrophobicContact CG1-CG2 4.01Å; I14-V27 HydrophobicContact CG2-CG2 3.64Å; I14-L39 HydrophobicContact CD1-CD1 3.94Å; I14-L39 HydrophobicContact CD1-CD2 3.81Å; I14-L39 HydrophobicContact CD1-CG 4.49Å; I14-L39 HydrophobicContact CG1-CD1 4.19Å; I14-L39 HydrophobicContact CG1-CD2 3.7Å; I14-L64 HydrophobicContact CD1-CD1 4.15Å; I14-L64 HydrophobicContact CD1-CG 4.24Å; I14-K65 CarbonylContact C-O 3.56Å; I14-K65 WeakPolarHBondContact CA-O 3.48Å
15	T	95.6	Very high	91	Very high	28 Å²	28	61 Å²	61	17%	0.172	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.7	161.6	64.3	0	0	0	0	109.4	I23 R24 L64 K65	T15-I23 CarbonylContact C-O 3.57Å; T15-I23 WeakPolarHBondContact CA-O 3.35Å; T15-R24 HydrophobicContact CG2-CB 4.48Å; T15-R24 HydrophobicContact CG2-CG 3.83Å; T15-L64 WeakPolarHBondContact O-CA 3.34Å; T15-K65 PolarHBondContact N-O 3.35Å; T15-K65 PolarHBondContact O-N 2.8Å
16	A	94.5	Very high	92.5	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.4	174.1	0	0	0	0	0	110.2	I14 I23 L61 L64	I14-A16 HydrophobicContact CD1-CB 4.48Å; A16-I23 PolarHBondContact N-O 3.21Å; A16-I23 WeakPolarHBondContact O-CA 3.4Å; A16-I23 PolarHBondContact O-N 3.23Å; A16-L61 HydrophobicContact CB-CB 4.13Å; A16-L61 HydrophobicContact CB-CD1 4.27Å; A16-L61 HydrophobicContact CB-CD2 4.35Å; A16-L61 HydrophobicContact CB-CG 4.48Å; A16-L64 HydrophobicContact CB-CB 4.22Å; A16-L64 HydrophobicContact CB-CG 4.4Å
17	Y	94.9	Very high	93.4	Very high	98 Å²	98	52.2 Å²	52.2	38%	0.384	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.5	171	-71.8	-93.9	0	0	0	110.1	T21 L22 L61 R62 D63	Y17-T21 WeakPolarHBondContact CA-O 3.43Å; Y17-L22 HydrophobicContact CD1-CB 4.19Å; Y17-L22 HydrophobicContact CD1-CD1 4.42Å; Y17-L22 HydrophobicContact CD2-CD1 4.28Å; Y17-L22 HydrophobicContact CE1-CB 3.84Å; Y17-L22 HydrophobicContact CE1-CD1 4.03Å; Y17-L22 HydrophobicContact CE1-CG 4.46Å; Y17-L22 HydrophobicContact CE2-CD1 3.87Å; Y17-L61 CarbonylContact O-C 3.47Å; Y17-L61 WeakPolarHBondContact O-CA 3.46Å; Y17-R62 PolarHBondContact N-O 3.24Å; Y17-R62 PolarHBondContact O-N 2.86Å; Y17-D63 HydrophobicContact CD2-CB 4.2Å
18	C	92.6	Very high	93.8	Very high	39 Å²	39	52.3 Å²	52.3	26%	0.264	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.1	164.3	-175.2	0	0	0	0	107.8	D20 T21 I23 L61	C18-D20 PolarHBondContact O-N 3.26Å; C18-D20 VanDerWaalsContact O-N 3.11Å; C18-T21 PolarHBondContact N-O 3.43Å; C18-T21 PolarHBondContact O-N 3.12Å; C18-I23 HydrophobicContact CB-CD1 3.42Å; C18-I23 VanDerWaalsContact CB-CD1 3.42Å; C18-I23 HydrophobicContact CB-CG1 4.31Å; C18-L61 HydrophobicContact CB-CD2 3.93Å
19	S	91.4	Very high	93.9	Very high	73 Å²	73	55 Å²	55	51%	0.51	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-114.5	-165.2	-52.8	0	0	0	0	110.3
20	D	91.9	Very high	94	Very high	148 Å²	148	50 Å²	50	79%	0.791	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	2.8	178.9	-55.5	-37.8	0	0	0	112.9	C18	C18-D20 PolarHBondContact O-N 3.26Å; C18-D20 VanDerWaalsContact O-N 3.11Å
21	T	94.2	Very high	94.1	Very high	95 Å²	95	50 Å²	50	58%	0.583	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.7	-179.8	-59.4	0	0	0	0	110.1	Y17 C18 I23	Y17-T21 WeakPolarHBondContact CA-O 3.43Å; C18-T21 PolarHBondContact N-O 3.43Å; C18-T21 PolarHBondContact O-N 3.12Å; T21-I23 PolarHBondContact O-N 2.66Å
22	L	94.9	Very high	94	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.356	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.6	170.5	178.2	63.6	0	0	0	110	Y17 R24	Y17-L22 HydrophobicContact CD1-CB 4.19Å; Y17-L22 HydrophobicContact CD1-CD1 4.42Å; Y17-L22 HydrophobicContact CD2-CD1 4.28Å; Y17-L22 HydrophobicContact CE1-CB 3.84Å; Y17-L22 HydrophobicContact CE1-CD1 4.03Å; Y17-L22 HydrophobicContact CE1-CG 4.46Å; Y17-L22 HydrophobicContact CE2-CD1 3.87Å; L22-R24 HydrophobicContact CG-CG 4.26Å
23	I	94.3	Very high	93.9	Very high	18 Å²	18	57.5 Å²	57.5	9%	0.092	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	177.2	-58.3	-179.3	0	0	0	108.2	T15 A16 C18 T21 L39 L54 L56 L61	T15-I23 CarbonylContact C-O 3.57Å; T15-I23 WeakPolarHBondContact CA-O 3.35Å; A16-I23 PolarHBondContact N-O 3.21Å; A16-I23 WeakPolarHBondContact O-CA 3.4Å; A16-I23 PolarHBondContact O-N 3.23Å; C18-I23 HydrophobicContact CB-CD1 3.42Å; C18-I23 VanDerWaalsContact CB-CD1 3.42Å; C18-I23 HydrophobicContact CB-CG1 4.31Å; T21-I23 PolarHBondContact O-N 2.66Å; I23-L39 HydrophobicContact CG2-CD1 3.66Å; I23-L54 HydrophobicContact CG2-CD1 3.86Å; I23-L56 HydrophobicContact CD1-CD1 3.73Å; I23-L56 HydrophobicContact CD1-CD2 4.23Å; I23-L56 HydrophobicContact CG2-CD1 4.05Å; I23-L61 HydrophobicContact CD1-CD2 4.23Å
24	R	94.7	Very high	93.8	Very high	162 Å²	162	62.4 Å²	62.4	61%	0.611	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.7	172.5	-53.2	-168.9	175.3	165.2	-1.8	109	I14 T15 L22 K41	I14-R24 WeakPolarHBondContact O-CA 3.44Å; T15-R24 HydrophobicContact CG2-CB 4.48Å; T15-R24 HydrophobicContact CG2-CG 3.83Å; L22-R24 HydrophobicContact CG-CG 4.26Å; R24-K41 WeakPolarHBondContact O-CB 3.24Å
25	G	94.7	Very high	93.7	Very high	10 Å²	10	65.8 Å²	65.8	10%	0.103	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	170.9	178.5	0	0	0	0	0	112.7	I14 Q40	I14-G25 PolarHBondContact N-O 2.91Å; I14-G25 PolarHBondContact O-N 3.28Å; G25-Q40 CarbonylContact C-O 3.55Å; G25-Q40 WeakPolarHBondContact CA-O 3.47Å
26	D	94.6	Very high	93.6	Very high	72 Å²	72	67 Å²	67	39%	0.385	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.6	177.3	-60.4	-39.5	0	0	0	109.7	S13 L28 L39 Q40	S13-D26 WeakPolarHBondContact CB-OD1 3.4Å; S13-D26 PolarHBondContact OG-OD1 3.29Å; D26-L28 PolarHBondContact O-N 3.39Å; D26-L39 CarbonylContact O-C 3.5Å; D26-L39 VanDerWaalsContact O-CA 3.29Å; D26-L39 WeakPolarHBondContact O-CA 3.04Å; D26-Q40 PolarHBondContact N-O 3.23Å; D26-Q40 PolarHBondContact O-N 3.32Å
27	V	95.2	Very high	93.7	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.9	179.7	-177.8	0	0	0	0	108.8	P8 G11 S12 I14 V30 I37 L39	P8-V27 HydrophobicContact CB-CG2 3.99Å; P8-V27 HydrophobicContact CG-CG2 3.88Å; G11-V27 PolarHBondContact N-O 3.15Å; S12-V27 WeakPolarHBondContact O-CG2 3.46Å; S12-V27 PolarHBondContact O-N 2.94Å; I14-V27 HydrophobicContact CB-CG2 4.45Å; I14-V27 HydrophobicContact CG1-CG2 4.01Å; I14-V27 HydrophobicContact CG2-CG2 3.64Å; V27-V30 HydrophobicContact CG1-CG2 3.56Å; V27-I37 HydrophobicContact CG1-CG2 4.23Å; V27-I37 HydrophobicContact CG2-CG2 4.35Å; V27-L39 HydrophobicContact CB-CD2 4.23Å; V27-L39 HydrophobicContact CG2-CD2 3.58Å
28	L	94.2	Very high	93.7	Very high	45 Å²	45	63.5 Å²	63.5	24%	0.236	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-48.9	175	-68	-174.8	0	0	0	111.5	D26 V38 Q40 I53 P73	D26-L28 PolarHBondContact O-N 3.39Å; L28-V38 HydrophobicContact CB-CG1 4.31Å; L28-V38 HydrophobicContact CD1-CG1 4.32Å; L28-V38 PolarHBondContact N-O 3.35Å; L28-Q40 HydrophobicContact CD1-CB 3.99Å; L28-Q40 HydrophobicContact CD2-CB 4.02Å; L28-Q40 HydrophobicContact CG-CB 3.88Å; L28-I53 HydrophobicContact CD1-CD1 3.7Å; L28-P73 HydrophobicContact CD2-CG 3.46Å; L28-P73 VanDerWaalsContact CD2-CG 3.46Å
29	C	93.1	Very high	93.8	Very high	64 Å²	64	61.6 Å²	61.6	43%	0.432	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	162.1	178.4	64	0	0	0	0	110.9	V38	C29-V38 PolarHBondContact O-N 3.14Å; C29-V38 VanDerWaalsContact SG-CG2 3.54Å
30	V	93.6	Very high	93.9	Very high	38 Å²	38	61 Å²	61	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.7	179.1	179.1	0	0	0	0	108.8	L7 P8 V27 L36 I37	L7-V30 HydrophobicContact CB-CG1 4.08Å; L7-V30 HydrophobicContact CD1-CG1 3.81Å; L7-V30 HydrophobicContact CD2-CG1 4.22Å; L7-V30 HydrophobicContact CG-CG1 4.27Å; P8-V30 WeakPolarHBondContact O-CG2 3.2Å; V27-V30 HydrophobicContact CG1-CG2 3.56Å; V30-L36 CarbonylContact C-O 3.52Å; V30-L36 WeakPolarHBondContact CA-O 3.3Å; V30-L36 WeakPolarHBondContact CG1-O 3.33Å; V30-I37 HydrophobicContact CG1-CG1 4.43Å; V30-I37 HydrophobicContact CG2-CG1 4.36Å; V30-I37 HydrophobicContact CG2-CG2 4.43Å
31	D	94	Very high	94	Very high	46 Å²	46	56.4 Å²	56.4	25%	0.246	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	98.9	165	-178	-21.1	0	0	0	107.7	S33 K34 K35 L36	D31-S33 VanDerWaalsContact C-N 3.28Å; D31-S33 PolarHBondContact O-N 3.32Å; D31-S33 WeakPolarHBondContact OD1-CB 3.5Å; D31-S33 PolarHBondContact OD1-N 3.1Å; D31-S33 PolarHBondContact OD1-OG 2.78Å; D31-K34 HydrophobicContact CB-CB 4.46Å; D31-K34 PolarHBondContact O-N 2.97Å; D31-K34 PolarHBondContact OD1-N 3.48Å; D31-K34 WeakPolarHBondContact OD2-CD 3.33Å; D31-K34 WeakPolarHBondContact OD2-CG 3.36Å; D31-K34 IonicContact OD2-NZ 2.7Å; D31-K34 PolarHBondContact OD2-NZ 2.95Å; D31-K35 CarbonylContact O-C 3.59Å; D31-K35 VanDerWaalsContact O-CA 3.24Å; D31-K35 WeakPolarHBondContact O-CA 3.38Å; D31-K35 PolarHBondContact O-N 2.75Å; D31-L36 HydrophobicContact CB-CB 4.2Å; D31-L36 PolarHBondContact N-O 3.33Å; D31-L36 PolarHBondContact O-N 2.87Å
32	A	91.7	Very high	93.8	Very high	68 Å²	68	57.1 Å²	57.1	56%	0.562	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-34.2	-179.4	0	0	0	0	0	112.6	L7 K35	L7-A32 HydrophobicContact CD1-CB 3.91Å; A32-K35 PolarHBondContact O-N 2.88Å
33	S	92.2	Very high	93.7	Very high	105 Å²	105	54.7 Å²	54.7	73%	0.734	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-41.3	-178	73.1	0	0	0	0	112.2	D31	D31-S33 VanDerWaalsContact C-N 3.28Å; D31-S33 PolarHBondContact O-N 3.32Å; D31-S33 WeakPolarHBondContact OD1-CB 3.5Å; D31-S33 PolarHBondContact OD1-N 3.1Å; D31-S33 PolarHBondContact OD1-OG 2.78Å
34	K	92.1	Very high	93.5	Very high	130 Å²	130	58.1 Å²	58.1	57%	0.565	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2	177.4	-58.3	-168.4	-162	83.4	0	113.2	D31 L36	D31-K34 HydrophobicContact CB-CB 4.46Å; D31-K34 PolarHBondContact O-N 2.97Å; D31-K34 PolarHBondContact OD1-N 3.48Å; D31-K34 WeakPolarHBondContact OD2-CD 3.33Å; D31-K34 WeakPolarHBondContact OD2-CG 3.36Å; D31-K34 IonicContact OD2-NZ 2.7Å; D31-K34 PolarHBondContact OD2-NZ 2.95Å; K34-L36 VanDerWaalsContact C-N 3.27Å; K34-L36 HydrophobicContact CB-CD1 4Å; K34-L36 HydrophobicContact CB-CG 3.91Å; K34-L36 HydrophobicContact CD-CD1 4.28Å; K34-L36 PolarHBondContact O-N 3.19Å
35	K	92.5	Very high	93.3	Very high	74 Å²	74	56.6 Å²	56.6	32%	0.322	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	46	-172.6	-58.1	176.6	169.1	-175.4	0	111.9	V4 D31 A32 R57 A58 D59	V4-K35 HydrophobicContact CG1-CD 3.94Å; D31-K35 CarbonylContact O-C 3.59Å; D31-K35 VanDerWaalsContact O-CA 3.24Å; D31-K35 WeakPolarHBondContact O-CA 3.38Å; D31-K35 PolarHBondContact O-N 2.75Å; A32-K35 PolarHBondContact O-N 2.88Å; K35-R57 CarbonylContact O-C 3.57Å; K35-R57 WeakPolarHBondContact O-CA 3.41Å; K35-A58 HydrophobicContact CB-CB 4.2Å; K35-A58 WeakPolarHBondContact O-CB 3.15Å; K35-A58 PolarHBondContact O-N 2.78Å; K35-D59 WeakPolarHBondContact CD-OD1 3.46Å; K35-D59 IonicContact NZ-OD1 3.48Å; K35-D59 PolarHBondContact NZ-OD1 3.29Å
36	L	95.1	Very high	92.9	Very high	52 Å²	52	59 Å²	59	27%	0.272	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.9	175.5	-62.2	173.2	0	0	0	109.9	V30 D31 K34 L56 R57	V30-L36 CarbonylContact C-O 3.52Å; V30-L36 WeakPolarHBondContact CA-O 3.3Å; V30-L36 WeakPolarHBondContact CG1-O 3.33Å; D31-L36 HydrophobicContact CB-CB 4.2Å; D31-L36 PolarHBondContact N-O 3.33Å; D31-L36 PolarHBondContact O-N 2.87Å; K34-L36 VanDerWaalsContact C-N 3.27Å; K34-L36 HydrophobicContact CB-CD1 4Å; K34-L36 HydrophobicContact CB-CG 3.91Å; K34-L36 HydrophobicContact CD-CD1 4.28Å; K34-L36 PolarHBondContact O-N 3.19Å; L36-L56 CarbonylContact C-O 3.53Å; L36-L56 WeakPolarHBondContact CA-O 3.2Å; L36-R57 HydrophobicContact CD2-CB 4.02Å; L36-R57 HydrophobicContact CD2-CG 4.42Å
37	I	94.8	Very high	92.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.6	175.5	-58.9	170.7	0	0	0	107	L7 P8 V27 V30 L39 L56 A58 L61 L64	L7-I37 HydrophobicContact CD2-CD1 4.05Å; L7-I37 HydrophobicContact CD2-CG1 4.16Å; P8-I37 HydrophobicContact CG-CD1 3.9Å; P8-I37 HydrophobicContact CG-CG1 4.41Å; P8-I37 HydrophobicContact CG-CG2 4.29Å; V27-I37 HydrophobicContact CG1-CG2 4.23Å; V27-I37 HydrophobicContact CG2-CG2 4.35Å; V30-I37 HydrophobicContact CG1-CG1 4.43Å; V30-I37 HydrophobicContact CG2-CG1 4.36Å; V30-I37 HydrophobicContact CG2-CG2 4.43Å; I37-L39 HydrophobicContact CG2-CD2 3.57Å; I37-L39 HydrophobicContact CG2-CG 4.04Å; I37-L56 PolarHBondContact N-O 2.87Å; I37-L56 PolarHBondContact O-N 3.09Å; I37-A58 HydrophobicContact CD1-CB 3.75Å; I37-A58 HydrophobicContact CG1-CB 4.2Å; I37-L61 HydrophobicContact CD1-CD1 4.06Å; I37-L64 HydrophobicContact CD1-CD1 3.63Å
38	V	95.5	Very high	92.3	Very high	26 Å²	26	68.6 Å²	68.6	16%	0.158	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.3	174.4	-175.1	0	0	0	0	108.4	L28 C29 I53 L54 I55	L28-V38 HydrophobicContact CB-CG1 4.31Å; L28-V38 HydrophobicContact CD1-CG1 4.32Å; L28-V38 PolarHBondContact N-O 3.35Å; C29-V38 PolarHBondContact O-N 3.14Å; C29-V38 VanDerWaalsContact SG-CG2 3.54Å; V38-I53 HydrophobicContact CG1-CG2 3.63Å; V38-L54 CarbonylContact C-O 3.56Å; V38-L54 VanDerWaalsContact CA-O 3.31Å; V38-L54 WeakPolarHBondContact CA-O 3.39Å; V38-I55 HydrophobicContact CG1-CG1 4.49Å; V38-I55 HydrophobicContact CG2-CG1 4.31Å
39	L	94.9	Very high	92	Very high	0 Å²	0	73 Å²	73	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.1	179	-56.2	179.3	0	0	0	111	I14 I23 D26 V27 I37 I53 L54 L56	I14-L39 HydrophobicContact CD1-CD1 3.94Å; I14-L39 HydrophobicContact CD1-CD2 3.81Å; I14-L39 HydrophobicContact CD1-CG 4.49Å; I14-L39 HydrophobicContact CG1-CD1 4.19Å; I14-L39 HydrophobicContact CG1-CD2 3.7Å; I23-L39 HydrophobicContact CG2-CD1 3.66Å; D26-L39 CarbonylContact O-C 3.5Å; D26-L39 VanDerWaalsContact O-CA 3.29Å; D26-L39 WeakPolarHBondContact O-CA 3.04Å; V27-L39 HydrophobicContact CB-CD2 4.23Å; V27-L39 HydrophobicContact CG2-CD2 3.58Å; I37-L39 HydrophobicContact CG2-CD2 3.57Å; I37-L39 HydrophobicContact CG2-CG 4.04Å; L39-I53 CarbonylContact O-C 3.51Å; L39-I53 WeakPolarHBondContact O-CA 3.47Å; L39-L54 HydrophobicContact CB-CB 4.31Å; L39-L54 PolarHBondContact N-O 2.69Å; L39-L54 PolarHBondContact O-N 3.04Å; L39-L56 HydrophobicContact CD1-CD1 3.67Å; L39-L56 HydrophobicContact CG-CD1 4.32Å
40	Q	94	Very high	91.9	Very high	60 Å²	60	73.5 Å²	73.5	28%	0.28	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.7	162.9	-174.9	179	10	0	0	109.1	G25 D26 L28 C51 I53	G25-Q40 CarbonylContact C-O 3.55Å; G25-Q40 WeakPolarHBondContact CA-O 3.47Å; D26-Q40 PolarHBondContact N-O 3.23Å; D26-Q40 PolarHBondContact O-N 3.32Å; L28-Q40 HydrophobicContact CD1-CB 3.99Å; L28-Q40 HydrophobicContact CD2-CB 4.02Å; L28-Q40 HydrophobicContact CG-CB 3.88Å; Q40-C51 HydrophobicContact CG-CB 3.85Å; Q40-C51 PolarHBondContact NE2-SG 3.08Å; Q40-I53 HydrophobicContact CB-CD1 3.93Å; Q40-I53 HydrophobicContact CG-CD1 3.9Å
41	K	92.7	Very high	91.8	Very high	51 Å²	51	74.2 Å²	74.2	22%	0.222	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.9	170.8	70.9	172	-172.6	71.6	0	110.9	R24 C51 D52 L54	R24-K41 WeakPolarHBondContact O-CB 3.24Å; K41-C51 WeakPolarHBondContact O-CA 3.24Å; K41-C51 WeakPolarHBondContact O-CB 3.34Å; K41-D52 HydrophobicContact CD-CB 4.44Å; K41-D52 WeakPolarHBondContact CE-OD2 3.33Å; K41-D52 HydrophobicContact CG-CB 3.81Å; K41-D52 PolarHBondContact N-O 3.35Å; K41-D52 IonicContact NZ-OD2 2.63Å; K41-D52 PolarHBondContact NZ-OD2 3.06Å; K41-D52 PolarHBondContact O-N 3.13Å; K41-L54 HydrophobicContact CD-CD1 3.88Å; K41-L54 HydrophobicContact CG-CD1 4.48Å
42	P	90.7	Very high	91.9	Very high	110 Å²	110	73.7 Å²	73.7	71%	0.714	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	147.3	174.1	-26.2	35.7	0	0	0	112.7	S44	P42-S44 PolarHBondContact O-N 3.29Å
43	S	92.8	Very high	92	Very high	18 Å²	18	74.7 Å²	74.7	13%	0.126	42%	0.419	C	S	.	.			trans	-51.8	128.2	179.5	176.4	0	0	0	0	111.5	I45 G46 R47 E50 D52	S43-I45 PolarHBondContact O-N 3.44Å; S43-I45 PolarHBondContact OG-N 3.44Å; S43-I45 VanDerWaalsContact OG-N 3.15Å; S43-G46 PolarHBondContact O-N 3.04Å; S43-G46 PolarHBondContact OG-N 2.72Å; S43-R47 VanDerWaalsContact CB-O 3.28Å; S43-R47 WeakPolarHBondContact CB-O 3.35Å; S43-E50 WeakPolarHBondContact CB-O 3.36Å; S43-D52 WeakPolarHBondContact CA-OD1 3.23Å
44	S	90.4	Very high	92.2	Very high	90 Å²	90	71.9 Å²	71.9	63%	0.629	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.4	171.5	48.3	0	0	0	0	112.9	P42 G46 D52	P42-S44 PolarHBondContact O-N 3.29Å; S44-G46 VanDerWaalsContact C-N 3.33Å; S44-D52 WeakPolarHBondContact CB-OD2 3.32Å; S44-D52 PolarHBondContact N-OD1 3.29Å; S44-D52 PolarHBondContact N-OD2 3.13Å; S44-D52 VanDerWaalsContact N-OD2 3.09Å; S44-D52 PolarHBondContact OG-OD2 3.29Å
45	I	90	Very high	92.4	Very high	129 Å²	129	71.5 Å²	71.5	66%	0.662	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.4	179.6	-57	167.3	0	0	0	110.8	S43 R47	S43-I45 PolarHBondContact O-N 3.44Å; S43-I45 PolarHBondContact OG-N 3.44Å; S43-I45 VanDerWaalsContact OG-N 3.15Å; I45-R47 VanDerWaalsContact C-N 3.34Å
46	G	87.1	Confident	92.5	Very high	62 Å²	62	69.2 Å²	69.2	64%	0.639	39%	0.39	S	S	*	.			trans	80.4	10.3	174.5	0	0	0	0	0	114.9	S43 S44	S43-G46 PolarHBondContact O-N 3.04Å; S43-G46 PolarHBondContact OG-N 2.72Å; S44-G46 VanDerWaalsContact C-N 3.33Å
47	R	89.2	Confident	92.4	Very high	140 Å²	140	72.5 Å²	72.5	53%	0.528	40%	0.398	S	S	.	.			trans	-77	125.1	173.3	-72.7	179.8	177	-174.5	2	110.1	S43 I45 D49 E50	S43-R47 VanDerWaalsContact CB-O 3.28Å; S43-R47 WeakPolarHBondContact CB-O 3.35Å; I45-R47 VanDerWaalsContact C-N 3.34Å; R47-D49 VanDerWaalsContact C-N 3.31Å; R47-D49 PolarHBondContact O-N 2.99Å; R47-E50 HydrophobicContact CB-CB 4.03Å; R47-E50 HydrophobicContact CB-CG 4.01Å; R47-E50 WeakPolarHBondContact CD-OE1 3.33Å; R47-E50 WeakPolarHBondContact CD-OE2 3.42Å; R47-E50 IonicContact CZ-OE1 3.7Å; R47-E50 IonicContact NE-OE1 3.84Å; R47-E50 IonicContact NH1-OE1 2.77Å; R47-E50 PolarHBondContact NH1-OE1 3.12Å; R47-E50 PolarHBondContact O-N 3.28Å
48	P	87.1	Confident	92.3	Very high	133 Å²	133	72.9 Å²	72.9	86%	0.864	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.3	-172.6	28.8	-35.2	0	0	0	114.1
49	D	87.8	Confident	92.2	Very high	138 Å²	138	74.4 Å²	74.4	74%	0.738	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.2	178.1	61.3	-44.4	0	0	0	113.4	R47	R47-D49 VanDerWaalsContact C-N 3.31Å; R47-D49 PolarHBondContact O-N 2.99Å
50	E	91.7	Very high	92.1	Very high	74 Å²	74	81.7 Å²	81.7	35%	0.346	44%	0.437	S	S	.	.			trans	-110.2	155.9	179.3	-66.3	-179.8	-173.2	0	0	111.3	S43 R47	S43-E50 WeakPolarHBondContact CB-O 3.36Å; R47-E50 HydrophobicContact CB-CB 4.03Å; R47-E50 HydrophobicContact CB-CG 4.01Å; R47-E50 WeakPolarHBondContact CD-OE1 3.33Å; R47-E50 WeakPolarHBondContact CD-OE2 3.42Å; R47-E50 IonicContact CZ-OE1 3.7Å; R47-E50 IonicContact NE-OE1 3.84Å; R47-E50 IonicContact NH1-OE1 2.77Å; R47-E50 PolarHBondContact NH1-OE1 3.12Å; R47-E50 PolarHBondContact O-N 3.28Å
51	C	92.1	Very high	92.1	Very high	53 Å²	53	79.8 Å²	79.8	36%	0.358	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.6	173.3	63.3	0	0	0	0	109.9	Q40 K41	Q40-C51 HydrophobicContact CG-CB 3.85Å; Q40-C51 PolarHBondContact NE2-SG 3.08Å; K41-C51 WeakPolarHBondContact O-CA 3.24Å; K41-C51 WeakPolarHBondContact O-CB 3.34Å
52	D	94.6	Very high	92.1	Very high	35 Å²	35	84.8 Å²	84.8	19%	0.187	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.1	174.1	-64.6	0.3	0	0	0	108.7	K41 S43 S44	K41-D52 HydrophobicContact CD-CB 4.44Å; K41-D52 WeakPolarHBondContact CE-OD2 3.33Å; K41-D52 HydrophobicContact CG-CB 3.81Å; K41-D52 PolarHBondContact N-O 3.35Å; K41-D52 IonicContact NZ-OD2 2.63Å; K41-D52 PolarHBondContact NZ-OD2 3.06Å; K41-D52 PolarHBondContact O-N 3.13Å; S43-D52 WeakPolarHBondContact CA-OD1 3.23Å; S44-D52 WeakPolarHBondContact CB-OD2 3.32Å; S44-D52 PolarHBondContact N-OD1 3.29Å; S44-D52 PolarHBondContact N-OD2 3.13Å; S44-D52 VanDerWaalsContact N-OD2 3.09Å; S44-D52 PolarHBondContact OG-OD2 3.29Å
53	I	95	Very high	92.2	Very high	88 Å²	88	83.4 Å²	83.4	45%	0.451	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	173.5	-54.9	-58.7	0	0	0	109	L28 V38 L39 Q40	L28-I53 HydrophobicContact CD1-CD1 3.7Å; V38-I53 HydrophobicContact CG1-CG2 3.63Å; L39-I53 CarbonylContact O-C 3.51Å; L39-I53 WeakPolarHBondContact O-CA 3.47Å; Q40-I53 HydrophobicContact CB-CD1 3.93Å; Q40-I53 HydrophobicContact CG-CD1 3.9Å
54	L	95.3	Very high	92.1	Very high	47 Å²	47	84.5 Å²	84.5	25%	0.246	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.2	178.7	-58.7	174.9	0	0	0	109.7	I23 V38 L39 K41 L56	I23-L54 HydrophobicContact CG2-CD1 3.86Å; V38-L54 CarbonylContact C-O 3.56Å; V38-L54 VanDerWaalsContact CA-O 3.31Å; V38-L54 WeakPolarHBondContact CA-O 3.39Å; L39-L54 HydrophobicContact CB-CB 4.31Å; L39-L54 PolarHBondContact N-O 2.69Å; L39-L54 PolarHBondContact O-N 3.04Å; K41-L54 HydrophobicContact CD-CD1 3.88Å; K41-L54 HydrophobicContact CG-CD1 4.48Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CD2 4.38Å; L54-L56 HydrophobicContact CB-CG 4.03Å; L54-L56 HydrophobicContact CD1-CD1 4.44Å
55	I	96.4	Very high	92.2	Very high	121 Å²	121	84.7 Å²	84.7	62%	0.621	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	108.7	171.3	-55	175.7	0	0	0	107.5	V38	V38-I55 HydrophobicContact CG1-CG1 4.49Å; V38-I55 HydrophobicContact CG2-CG1 4.31Å
56	L	95	Very high	92.3	Very high	27 Å²	27	81.8 Å²	81.8	14%	0.141	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.3	-170.4	-58.7	170.8	0	0	0	110.1	I23 L36 I37 L39 L54 L61	I23-L56 HydrophobicContact CD1-CD1 3.73Å; I23-L56 HydrophobicContact CD1-CD2 4.23Å; I23-L56 HydrophobicContact CG2-CD1 4.05Å; L36-L56 CarbonylContact C-O 3.53Å; L36-L56 WeakPolarHBondContact CA-O 3.2Å; I37-L56 PolarHBondContact N-O 2.87Å; I37-L56 PolarHBondContact O-N 3.09Å; L39-L56 HydrophobicContact CD1-CD1 3.67Å; L39-L56 HydrophobicContact CG-CD1 4.32Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CD2 4.38Å; L54-L56 HydrophobicContact CB-CG 4.03Å; L54-L56 HydrophobicContact CD1-CD1 4.44Å; L56-L61 HydrophobicContact CB-CD1 4.27Å; L56-L61 HydrophobicContact CD1-CD1 4.41Å; L56-L61 HydrophobicContact CD1-CD2 4.25Å
57	R	94.3	Very high	92.4	Very high	120 Å²	120	83.7 Å²	83.7	45%	0.453	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.6	169	-172.6	176.5	174.9	167.3	-1.2	109.4	K35 L36 D59 Y60	K35-R57 CarbonylContact O-C 3.57Å; K35-R57 WeakPolarHBondContact O-CA 3.41Å; L36-R57 HydrophobicContact CD2-CB 4.02Å; L36-R57 HydrophobicContact CD2-CG 4.42Å; R57-D59 HydrophobicContact CG-CB 4.28Å; R57-D59 IonicContact CZ-OD2 2.64Å; R57-D59 IonicContact NE-OD2 3.78Å; R57-D59 PolarHBondContact NE-OD2 3.36Å; R57-D59 IonicContact NH2-OD2 2.79Å; R57-D59 PolarHBondContact NH2-OD2 3.02Å; R57-D59 PolarHBondContact O-N 2.91Å; R57-Y60 HydrophobicContact CB-CD2 3.83Å; R57-Y60 HydrophobicContact CB-CE2 4.17Å; R57-Y60 HydrophobicContact CG-CD2 4.36Å; R57-Y60 HydrophobicContact CG-CE2 4.43Å; R57-Y60 PolarHBondContact O-N 2.96Å
58	A	92.9	Very high	92.4	Very high	9 Å²	9	83.7 Å²	83.7	7%	0.074	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-59.2	-32.4	-175.3	0	0	0	0	0	112.7	V4 L7 K35 I37 Y60 L61	V4-A58 HydrophobicContact CG1-CB 4.35Å; L7-A58 HydrophobicContact CD2-CB 3.65Å; K35-A58 HydrophobicContact CB-CB 4.2Å; K35-A58 WeakPolarHBondContact O-CB 3.15Å; K35-A58 PolarHBondContact O-N 2.78Å; I37-A58 HydrophobicContact CD1-CB 3.75Å; I37-A58 HydrophobicContact CG1-CB 4.2Å; A58-Y60 PolarHBondContact O-N 3.21Å; A58-Y60 VanDerWaalsContact O-N 3.09Å; A58-L61 PolarHBondContact O-N 2.81Å
59	D	92	Very high	92.4	Very high	58 Å²	58	85.8 Å²	85.8	31%	0.31	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-57.9	-23.6	176.8	-63.4	-37.1	0	0	0	113.2	K35 R57	K35-D59 WeakPolarHBondContact CD-OD1 3.46Å; K35-D59 IonicContact NZ-OD1 3.48Å; K35-D59 PolarHBondContact NZ-OD1 3.29Å; R57-D59 HydrophobicContact CG-CB 4.28Å; R57-D59 IonicContact CZ-OD2 2.64Å; R57-D59 IonicContact NE-OD2 3.78Å; R57-D59 PolarHBondContact NE-OD2 3.36Å; R57-D59 IonicContact NH2-OD2 2.79Å; R57-D59 PolarHBondContact NH2-OD2 3.02Å; R57-D59 PolarHBondContact O-N 2.91Å
60	Y	93.3	Very high	92.3	Very high	152 Å²	152	81.3 Å²	81.3	60%	0.596	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-97.2	0.8	179.4	-58.7	-48.3	0	0	0	113.8	R57 A58	R57-Y60 HydrophobicContact CB-CD2 3.83Å; R57-Y60 HydrophobicContact CB-CE2 4.17Å; R57-Y60 HydrophobicContact CG-CD2 4.36Å; R57-Y60 HydrophobicContact CG-CE2 4.43Å; R57-Y60 PolarHBondContact O-N 2.96Å; A58-Y60 PolarHBondContact O-N 3.21Å; A58-Y60 VanDerWaalsContact O-N 3.09Å
61	L	93.3	Very high	92	Very high	21 Å²	21	82.7 Å²	82.7	11%	0.11	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.8	178.3	-60.6	-177.1	0	0	0	110.5	A16 Y17 C18 I23 I37 L56 A58 L64	A16-L61 HydrophobicContact CB-CB 4.13Å; A16-L61 HydrophobicContact CB-CD1 4.27Å; A16-L61 HydrophobicContact CB-CD2 4.35Å; A16-L61 HydrophobicContact CB-CG 4.48Å; Y17-L61 CarbonylContact O-C 3.47Å; Y17-L61 WeakPolarHBondContact O-CA 3.46Å; C18-L61 HydrophobicContact CB-CD2 3.93Å; I23-L61 HydrophobicContact CD1-CD2 4.23Å; I37-L61 HydrophobicContact CD1-CD1 4.06Å; L56-L61 HydrophobicContact CB-CD1 4.27Å; L56-L61 HydrophobicContact CD1-CD1 4.41Å; L56-L61 HydrophobicContact CD1-CD2 4.25Å; A58-L61 PolarHBondContact O-N 2.81Å; L61-L64 HydrophobicContact CD1-CD1 4.05Å
62	R	93.1	Very high	91.4	Very high	155 Å²	155	83.1 Å²	83.1	59%	0.585	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	149.8	175.6	-58.3	178.3	-172.4	150.5	-1.4	109.6	Y17 L64	Y17-R62 PolarHBondContact N-O 3.24Å; Y17-R62 PolarHBondContact O-N 2.86Å; R62-L64 PolarHBondContact O-N 3.48Å
63	D	92.1	Very high	90.8	Very high	82 Å²	82	84.9 Å²	84.9	44%	0.439	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.8	41.3	177.6	-163	40.3	0	0	0	113.4	Y17 K65	Y17-D63 HydrophobicContact CD2-CB 4.2Å; D63-K65 PolarHBondContact O-N 3.24Å; D63-K65 WeakPolarHBondContact OD1-CE 3.38Å; D63-K65 IonicContact OD1-NZ 2.9Å; D63-K65 PolarHBondContact OD1-NZ 3.41Å; D63-K65 IonicContact OD2-NZ 2.74Å; D63-K65 PolarHBondContact OD2-NZ 2.99Å
64	L	92.3	Very high	90.2	Very high	41 Å²	41	85.4 Å²	85.4	22%	0.215	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	121.9	176.9	-172.9	150.5	0	0	0	109.6	P8 I14 T15 A16 I37 L61 R62	P8-L64 HydrophobicContact CB-CD2 4.3Å; P8-L64 HydrophobicContact CG-CD1 4.39Å; P8-L64 HydrophobicContact CG-CD2 4.28Å; I14-L64 HydrophobicContact CD1-CD1 4.15Å; I14-L64 HydrophobicContact CD1-CG 4.24Å; T15-L64 WeakPolarHBondContact O-CA 3.34Å; A16-L64 HydrophobicContact CB-CB 4.22Å; A16-L64 HydrophobicContact CB-CG 4.4Å; I37-L64 HydrophobicContact CD1-CD1 3.63Å; L61-L64 HydrophobicContact CD1-CD1 4.05Å; R62-L64 PolarHBondContact O-N 3.48Å
65	K	92.6	Very high	89.5	Confident	94 Å²	94	88.9 Å²	88.9	41%	0.409	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	128.8	-178.3	-71	169.7	174.1	150.9	0	110.4	I14 T15 D63	I14-K65 CarbonylContact C-O 3.56Å; I14-K65 WeakPolarHBondContact CA-O 3.48Å; T15-K65 PolarHBondContact N-O 3.35Å; T15-K65 PolarHBondContact O-N 2.8Å; D63-K65 PolarHBondContact O-N 3.24Å; D63-K65 WeakPolarHBondContact OD1-CE 3.38Å; D63-K65 IonicContact OD1-NZ 2.9Å; D63-K65 PolarHBondContact OD1-NZ 3.41Å; D63-K65 IonicContact OD2-NZ 2.74Å; D63-K65 PolarHBondContact OD2-NZ 2.99Å
66	S	91.2	Very high	88.9	Confident	68 Å²	68	88 Å²	88	48%	0.476	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.3	165.5	-58.2	0	0	0	0	109.2	S13	S13-S66 CarbonylContact O-C 3.59Å
67	T	89.1	Confident	88.7	Confident	102 Å²	102	96 Å²	96	63%	0.626	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	-27.3	-180	-53.4	0	0	0	0	111.9	S13	S13-T67 PolarHBondContact O-N 2.92Å
68	K	89.7	Confident	88.6	Confident	139 Å²	139	95.7 Å²	95.7	60%	0.604	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	132.8	178.7	-179.5	-178.7	173.9	-168.6	0	109.4	S12 S13	S12-K68 CarbonylContact C-O 3.47Å; S12-K68 WeakPolarHBondContact CA-O 3.1Å; S12-K68 WeakPolarHBondContact CB-O 3.38Å; S13-K68 PolarHBondContact N-O 3.32Å; S13-K68 PolarHBondContact O-N 3.09Å
69	E	87.1	Confident	88.7	Confident	177 Å²	177	99 Å²	99	83%	0.827	55%	0.546	S	S	*	.			trans	-84.6	145.3	167.6	-67	179	-174.4	0	0	109.9
70	G	85.1	Confident	88.9	Confident	44 Å²	44	101.2 Å²	101.2	45%	0.454	56%	0.557	S	S	.	*			trans	-166.1	171.8	-177.2	0	0	0	0	0	110.9	G11	G11-G70 CarbonylContact C-O 3.41Å; G11-G70 WeakPolarHBondContact CA-O 3.49Å; G11-G70 CarbonylContact O-C 3.42Å; G11-G70 WeakPolarHBondContact O-CA 3.39Å
71	S	84.6	Confident	89	Confident	104 Å²	104	101.4 Å²	101.4	73%	0.727	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-91.1	140.6	170.7	57.9	0	0	0	0	109.7	G11	G11-S71 VanDerWaalsContact CA-C 3.47Å
72	P	81.2	Confident	89.2	Confident	61 Å²	61	106.8 Å²	106.8	40%	0.396	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-60	149.2	175.4	25.8	-32.7	0	0	0	110.2	P10 G11	P10-P72 HydrophobicContact CB-CB 4.21Å; P10-P72 HydrophobicContact CB-CG 4.22Å; G11-P72 VanDerWaalsContact CA-N 3.28Å
73	P	80.6	Confident	89.4	Confident	72 Å²	72	102.4 Å²	102.4	47%	0.468	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-59.8	146.9	175.6	26.4	-33.4	0	0	0	110	L28 C75	L28-P73 HydrophobicContact CD2-CG 3.46Å; L28-P73 VanDerWaalsContact CD2-CG 3.46Å; P73-C75 PolarHBondContact O-N 2.98Å
74	A	83.6	Confident	89.7	Confident	100 Å²	100	101.9 Å²	101.9	83%	0.826	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-62.4	122	174.5	0	0	0	0	0	109.5
75	C	80	Confident	89.9	Confident	119 Å²	119	104.6 Å²	104.6	80%	0.804	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-67.4	136	171.2	-72.5	0	0	0	0	109.4	P73	P73-C75 PolarHBondContact O-N 2.98Å
76	P	84.5	Confident	90.1	Very high	104 Å²	104	108.3 Å²	108.3	68%	0.675	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-63.5	145.4	175.3	27.9	-34.3	0	0	0	110.3	L78	P76-L78 PolarHBondContact O-N 3.39Å
77	E	90.2	Very high	90.4	Very high	195 Å²	195	109.2 Å²	109.2	91%	0.911	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.3	172.3	-170.2	176.5	-179.7	0	0	109.8
78	L	91.4	Very high	90.9	Very high	112 Å²	112	111.4 Å²	111.4	59%	0.586	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-93.1	126.3	179.3	-62.9	-179.4	0	0	0	109.7	P76 I80 I83	P76-L78 PolarHBondContact O-N 3.39Å; L78-I80 HydrophobicContact CB-CD1 4.07Å; L78-I80 PolarHBondContact O-N 3.49Å; L78-I83 HydrophobicContact CB-CD1 3.97Å; L78-I83 HydrophobicContact CD1-CD1 4.3Å
79	N	95.4	Very high	91.2	Very high	78 Å²	78	108 Å²	108	42%	0.417	58%	0.578	S	S	.	*			trans	-76.3	97.1	169	-175.1	-48.9	0	0	0	109.3	E81 K82 I83	N79-E81 VanDerWaalsContact C-N 3.29Å; N79-E81 PolarHBondContact O-N 3.39Å; N79-E81 PolarHBondContact OD1-N 3.37Å; N79-K82 HydrophobicContact CB-CB 4.21Å; N79-K82 HydrophobicContact CB-CD 4.11Å; N79-K82 HydrophobicContact CB-CG 4.27Å; N79-K82 PolarHBondContact O-N 3.34Å; N79-K82 WeakPolarHBondContact OD1-CG 3.42Å; N79-K82 PolarHBondContact OD1-N 3.29Å; N79-I83 WeakPolarHBondContact O-CG1 3.31Å; N79-I83 PolarHBondContact O-N 3.03Å
80	I	95.9	Very high	91.6	Very high	105 Å²	105	104.4 Å²	104.4	54%	0.538	57%	0.565	S	S	.	*	H	α-helix	trans	-61.5	-36.7	-175.7	-54.1	-55.2	0	0	0	111.9	L78 I83 I84	L78-I80 HydrophobicContact CB-CD1 4.07Å; L78-I80 PolarHBondContact O-N 3.49Å; I80-I83 HydrophobicContact CD1-CD1 4.47Å; I80-I83 WeakPolarHBondContact O-CB 3.49Å; I80-I83 PolarHBondContact O-N 2.85Å; I80-I84 HydrophobicContact CG2-CD1 3.93Å; I80-I84 HydrophobicContact CG2-CG1 4.38Å; I80-I84 WeakPolarHBondContact O-CG1 3.26Å; I80-I84 PolarHBondContact O-N 2.74Å
81	E	97	Very high	92.2	Very high	156 Å²	156	107.2 Å²	107.2	73%	0.729	57%	0.567	S	S	*	*	H	α-helix	trans	-63.2	-45.5	178.6	-63.6	174.1	175.6	0	0	111.8	N79 I83 I84 E85	N79-E81 VanDerWaalsContact C-N 3.29Å; N79-E81 PolarHBondContact O-N 3.39Å; N79-E81 PolarHBondContact OD1-N 3.37Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 2.93Å; E81-I84 PolarHBondContact O-N 2.97Å; E81-E85 PolarHBondContact O-N 3.3Å
82	K	96.7	Very high	92.6	Very high	134 Å²	134	111.1 Å²	111.1	58%	0.583	57%	0.565	S	S	*	*	H	α-helix	trans	-61.9	-35.8	174.5	-74	-178.1	-178	179.3	0	111.9	N79 R86	N79-K82 HydrophobicContact CB-CB 4.21Å; N79-K82 HydrophobicContact CB-CD 4.11Å; N79-K82 HydrophobicContact CB-CG 4.27Å; N79-K82 PolarHBondContact O-N 3.34Å; N79-K82 WeakPolarHBondContact OD1-CG 3.42Å; N79-K82 PolarHBondContact OD1-N 3.29Å; K82-R86 VanDerWaalsContact O-CG 3.27Å; K82-R86 WeakPolarHBondContact O-CG 3.32Å; K82-R86 PolarHBondContact O-N 3.35Å
83	I	97.1	Very high	93.2	Very high	63 Å²	63	112.9 Å²	112.9	32%	0.323	57%	0.57	S	S	.	*	H	α-helix	trans	-67	-47.7	176.5	-67.7	169.2	0	0	0	110.3	L78 N79 I80 E81 E85 R86 I87	L78-I83 HydrophobicContact CB-CD1 3.97Å; L78-I83 HydrophobicContact CD1-CD1 4.3Å; N79-I83 WeakPolarHBondContact O-CG1 3.31Å; N79-I83 PolarHBondContact O-N 3.03Å; I80-I83 HydrophobicContact CD1-CD1 4.47Å; I80-I83 WeakPolarHBondContact O-CB 3.49Å; I80-I83 PolarHBondContact O-N 2.85Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 2.93Å; I83-E85 VanDerWaalsContact C-N 3.29Å; I83-E85 PolarHBondContact O-N 2.93Å; I83-R86 WeakPolarHBondContact O-CB 3.48Å; I83-R86 PolarHBondContact O-N 3.01Å; I83-I87 HydrophobicContact CG2-CD1 3.92Å; I83-I87 HydrophobicContact CG2-CG1 4.49Å; I83-I87 WeakPolarHBondContact O-CG1 3.43Å; I83-I87 PolarHBondContact O-N 3.24Å
84	I	97.6	Very high	93.8	Very high	71 Å²	71	114.4 Å²	114.4	36%	0.364	57%	0.571	S	S	.	*	H	α-helix	trans	-58.5	-43.3	177.7	-70.6	168.4	0	0	0	110.8	I80 E81 I87 R88	I80-I84 HydrophobicContact CG2-CD1 3.93Å; I80-I84 HydrophobicContact CG2-CG1 4.38Å; I80-I84 WeakPolarHBondContact O-CG1 3.26Å; I80-I84 PolarHBondContact O-N 2.74Å; E81-I84 PolarHBondContact O-N 2.97Å; I84-I87 PolarHBondContact O-N 3.48Å; I84-R88 WeakPolarHBondContact O-CG 3.28Å; I84-R88 PolarHBondContact O-N 2.92Å
85	E	97.7	Very high	94.4	Very high	99 Å²	99	116.1 Å²	116.1	46%	0.463	56%	0.56	S	S	.	*	H	α-helix	trans	-65	-42.8	178.5	-170.2	55.2	-150.4	0	0	112	E81 I83 I87 R88 V89	E81-E85 PolarHBondContact O-N 3.3Å; I83-E85 VanDerWaalsContact C-N 3.29Å; I83-E85 PolarHBondContact O-N 2.93Å; E85-I87 VanDerWaalsContact C-N 3.31Å; E85-I87 PolarHBondContact O-N 3.26Å; E85-R88 PolarHBondContact O-N 2.64Å; E85-R88 IonicContact OE2-NH1 3.32Å; E85-V89 WeakPolarHBondContact O-CG2 3.47Å; E85-V89 PolarHBondContact O-N 2.79Å
86	R	97.1	Very high	94.9	Very high	172 Å²	172	113 Å²	113	65%	0.649	53%	0.534	S	S	*	.	H	α-helix	trans	-58.7	-41.9	173.1	-74.4	171.6	-179.4	-175.8	-0.3	112.2	K82 I83 V89 N90	K82-R86 VanDerWaalsContact O-CG 3.27Å; K82-R86 WeakPolarHBondContact O-CG 3.32Å; K82-R86 PolarHBondContact O-N 3.35Å; I83-R86 WeakPolarHBondContact O-CB 3.48Å; I83-R86 PolarHBondContact O-N 3.01Å; R86-V89 PolarHBondContact O-N 2.9Å; R86-N90 WeakPolarHBondContact O-CB 3.33Å; R86-N90 VanDerWaalsContact O-CG 3.25Å; R86-N90 PolarHBondContact O-N 2.82Å; R86-N90 PolarHBondContact O-ND2 2.88Å
87	I	97.9	Very high	95.3	Very high	86 Å²	86	111 Å²	111	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-60.1	-50	176.3	-69.3	166.9	0	0	0	109.9	I83 I84 E85 V89 N90 E91	I83-I87 HydrophobicContact CG2-CD1 3.92Å; I83-I87 HydrophobicContact CG2-CG1 4.49Å; I83-I87 WeakPolarHBondContact O-CG1 3.43Å; I83-I87 PolarHBondContact O-N 3.24Å; I84-I87 PolarHBondContact O-N 3.48Å; E85-I87 VanDerWaalsContact C-N 3.31Å; E85-I87 PolarHBondContact O-N 3.26Å; I87-V89 VanDerWaalsContact C-N 3.35Å; I87-V89 PolarHBondContact O-N 3.48Å; I87-N90 PolarHBondContact O-N 3.01Å; I87-E91 HydrophobicContact CG2-CG 4.3Å; I87-E91 WeakPolarHBondContact O-CG 3.07Å; I87-E91 PolarHBondContact O-N 2.7Å
88	R	97.8	Very high	95.6	Very high	148 Å²	148	106.7 Å²	106.7	56%	0.558	50%	0.497	S	S	*	.	H	α-helix	trans	-59.2	-43.3	179.2	-71.9	174.1	177.6	166.9	-1	112.8	I84 E85 E91 R92	I84-R88 WeakPolarHBondContact O-CG 3.28Å; I84-R88 PolarHBondContact O-N 2.92Å; E85-R88 PolarHBondContact O-N 2.64Å; E85-R88 IonicContact OE2-NH1 3.32Å; R88-E91 PolarHBondContact O-N 2.79Å; R88-R92 PolarHBondContact O-N 2.92Å
89	V	95.8	Very high	95.8	Very high	67 Å²	67	105.8 Å²	105.8	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-47.3	176.5	171.5	0	0	0	0	110.6	E85 R86 I87 E91 R92 I93	E85-V89 WeakPolarHBondContact O-CG2 3.47Å; E85-V89 PolarHBondContact O-N 2.79Å; R86-V89 PolarHBondContact O-N 2.9Å; I87-V89 VanDerWaalsContact C-N 3.35Å; I87-V89 PolarHBondContact O-N 3.48Å; V89-E91 PolarHBondContact O-N 2.77Å; V89-R92 WeakPolarHBondContact O-CB 3.39Å; V89-R92 PolarHBondContact O-N 3.46Å; V89-I93 HydrophobicContact CG1-CD1 3.88Å; V89-I93 WeakPolarHBondContact O-CG1 3.41Å; V89-I93 PolarHBondContact O-N 3.14Å
90	N	95.9	Very high	95.9	Very high	103 Å²	103	102.3 Å²	102.3	55%	0.551	47%	0.469	S	S	*	.	H	α-helix	trans	-64.6	-39.5	179	-73	-12.5	0	0	0	112.4	R86 I87 R92 I93 Q94	R86-N90 WeakPolarHBondContact O-CB 3.33Å; R86-N90 VanDerWaalsContact O-CG 3.25Å; R86-N90 PolarHBondContact O-N 2.82Å; R86-N90 PolarHBondContact O-ND2 2.88Å; I87-N90 PolarHBondContact O-N 3.01Å; N90-R92 VanDerWaalsContact C-N 3.31Å; N90-R92 PolarHBondContact O-N 2.68Å; N90-I93 PolarHBondContact O-N 3.15Å; N90-Q94 WeakPolarHBondContact O-CB 3.31Å; N90-Q94 PolarHBondContact O-N 3.19Å
91	E	97.4	Very high	95.9	Very high	103 Å²	103	102.5 Å²	102.5	48%	0.481	46%	0.464	S	S	.	.	H	α-helix	trans	-61.1	-40.9	173.5	-76	-178.1	167.1	0	0	111.7	I87 R88 V89 Q94 K95	I87-E91 HydrophobicContact CG2-CG 4.3Å; I87-E91 WeakPolarHBondContact O-CG 3.07Å; I87-E91 PolarHBondContact O-N 2.7Å; R88-E91 PolarHBondContact O-N 2.79Å; V89-E91 PolarHBondContact O-N 2.77Å; E91-Q94 PolarHBondContact O-N 3.09Å; E91-K95 WeakPolarHBondContact O-CB 3.3Å; E91-K95 VanDerWaalsContact O-CG 3.26Å; E91-K95 WeakPolarHBondContact O-CG 3.4Å; E91-K95 PolarHBondContact O-N 2.83Å
92	R	94.9	Very high	95.8	Very high	185 Å²	185	96.2 Å²	96.2	70%	0.698	44%	0.441	S	S	*	.	H	α-helix	trans	-64.1	-47.4	175.4	-176.6	179.6	177.2	-178.7	-2	111.3	R88 V89 N90 Q94 K95 E96	R88-R92 PolarHBondContact O-N 2.92Å; V89-R92 WeakPolarHBondContact O-CB 3.39Å; V89-R92 PolarHBondContact O-N 3.46Å; N90-R92 VanDerWaalsContact C-N 3.31Å; N90-R92 PolarHBondContact O-N 2.68Å; R92-Q94 VanDerWaalsContact C-N 3.3Å; R92-Q94 PolarHBondContact O-N 3.41Å; R92-K95 PolarHBondContact O-N 2.93Å; R92-E96 WeakPolarHBondContact O-CG 3.32Å; R92-E96 PolarHBondContact O-N 2.84Å
93	I	92.2	Very high	95.7	Very high	99 Å²	99	98.9 Å²	98.9	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-57.4	-45.9	176.4	-68.5	166.7	0	0	0	110.3	V89 N90 K95 E96 K97	V89-I93 HydrophobicContact CG1-CD1 3.88Å; V89-I93 WeakPolarHBondContact O-CG1 3.41Å; V89-I93 PolarHBondContact O-N 3.14Å; N90-I93 PolarHBondContact O-N 3.15Å; I93-K95 PolarHBondContact O-N 2.96Å; I93-E96 PolarHBondContact O-N 3.16Å; I93-K97 PolarHBondContact O-N 2.94Å
94	Q	94.1	Very high	95.5	Very high	104 Å²	104	99 Å²	99	49%	0.486	46%	0.456	S	S	.	.	H	α-helix	trans	-67.8	-36.6	-179.4	-169.4	65.8	-8.2	0	0	112.5	N90 E91 R92 E96 K97 L98	N90-Q94 WeakPolarHBondContact O-CB 3.31Å; N90-Q94 PolarHBondContact O-N 3.19Å; E91-Q94 PolarHBondContact O-N 3.09Å; R92-Q94 VanDerWaalsContact C-N 3.3Å; R92-Q94 PolarHBondContact O-N 3.41Å; Q94-E96 VanDerWaalsContact C-N 3.34Å; Q94-K97 PolarHBondContact O-N 3.1Å; Q94-L98 WeakPolarHBondContact O-CG 3.29Å; Q94-L98 PolarHBondContact O-N 3.36Å
95	K	95.3	Very high	95.5	Very high	136 Å²	136	96 Å²	96	59%	0.591	44%	0.441	S	S	*	.	H	α-helix	trans	-62	-41	172.6	-77.4	171.4	-177.3	172.5	0	112	E91 R92 I93 L98	E91-K95 WeakPolarHBondContact O-CB 3.3Å; E91-K95 VanDerWaalsContact O-CG 3.26Å; E91-K95 WeakPolarHBondContact O-CG 3.4Å; E91-K95 PolarHBondContact O-N 2.83Å; R92-K95 PolarHBondContact O-N 2.93Å; I93-K95 PolarHBondContact O-N 2.96Å; K95-L98 PolarHBondContact O-N 3.12Å
96	E	92	Very high	95.5	Very high	54 Å²	54	93.8 Å²	93.8	25%	0.252	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-44.3	173.7	-69.1	-58.1	134	0	0	111.3	R92 I93 Q94 L98 K99	R92-E96 WeakPolarHBondContact O-CG 3.32Å; R92-E96 PolarHBondContact O-N 2.84Å; I93-E96 PolarHBondContact O-N 3.16Å; Q94-E96 VanDerWaalsContact C-N 3.34Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.33Å; E96-K99 VanDerWaalsContact O-CB 3.23Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 WeakPolarHBondContact O-CG 3.36Å; E96-K99 PolarHBondContact O-N 3.09Å; E96-K99 WeakPolarHBondContact OE1-CE 3.38Å; E96-K99 IonicContact OE1-NZ 2.93Å; E96-K99 PolarHBondContact OE1-NZ 3.13Å; E96-K99 VanDerWaalsContact OE2-CE 3.28Å; E96-K99 WeakPolarHBondContact OE2-CE 3.41Å; E96-K99 IonicContact OE2-NZ 3.28Å; E96-K99 PolarHBondContact OE2-NZ 3.36Å
97	K	92.9	Very high	95.4	Very high	60 Å²	60	89.3 Å²	89.3	26%	0.261	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-38.6	176.6	-175.7	166.6	179.6	149.8	0	113	I93 Q94 K99 F100 Y101 E117	I93-K97 PolarHBondContact O-N 2.94Å; Q94-K97 PolarHBondContact O-N 3.1Å; K97-K99 PolarHBondContact O-N 3.34Å; K97-K99 VanDerWaalsContact O-N 3.13Å; K97-F100 WeakPolarHBondContact O-CB 3.38Å; K97-F100 PolarHBondContact O-N 3.45Å; K97-F100 VanDerWaalsContact O-N 3.09Å; K97-Y101 HydrophobicContact CG-CE2 4.28Å; K97-E117 VanDerWaalsContact CE-OE2 3.31Å; K97-E117 WeakPolarHBondContact CE-OE2 3.45Å; K97-E117 IonicContact NZ-OE2 2.74Å; K97-E117 PolarHBondContact NZ-OE2 3.07Å
98	L	95.4	Very high	95.2	Very high	105 Å²	105	89 Å²	89	55%	0.55	43%	0.427	S	S	.	.	H	α-helix	trans	-59.4	-24.2	176.8	-76.2	172.4	0	0	0	113.2	Q94 K95 E96 F100 Y101	Q94-L98 WeakPolarHBondContact O-CG 3.29Å; Q94-L98 PolarHBondContact O-N 3.36Å; K95-L98 PolarHBondContact O-N 3.12Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.33Å; L98-F100 PolarHBondContact O-N 3.06Å; L98-Y101 PolarHBondContact O-N 3.32Å
99	K	96.9	Very high	95.2	Very high	94 Å²	94	82 Å²	82	41%	0.409	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-61.6	-30.7	176.2	-60.8	179.7	-178.5	170.7	0	112.4	E96 K97 Y101 G102 V105 W124	E96-K99 VanDerWaalsContact O-CB 3.23Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 WeakPolarHBondContact O-CG 3.36Å; E96-K99 PolarHBondContact O-N 3.09Å; E96-K99 WeakPolarHBondContact OE1-CE 3.38Å; E96-K99 IonicContact OE1-NZ 2.93Å; E96-K99 PolarHBondContact OE1-NZ 3.13Å; E96-K99 VanDerWaalsContact OE2-CE 3.28Å; E96-K99 WeakPolarHBondContact OE2-CE 3.41Å; E96-K99 IonicContact OE2-NZ 3.28Å; E96-K99 PolarHBondContact OE2-NZ 3.36Å; K97-K99 PolarHBondContact O-N 3.34Å; K97-K99 VanDerWaalsContact O-N 3.13Å; K99-Y101 PolarHBondContact O-N 3.34Å; K99-G102 PolarHBondContact O-N 3.48Å; K99-V105 WeakPolarHBondContact O-CG2 3.39Å; K99-W124 HydrophobicContact CB-CB 4.04Å; K99-W124 HydrophobicContact CB-CG 4.42Å
100	F	96.9	Very high	95.2	Very high	4 Å²	4	81.7 Å²	81.7	2%	0.018	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-69.7	-13.3	175.3	-76.7	-78.7	0	0	0	114.5	K97 L98 V105 R110 A113 V122 V123 W124 V129	K97-F100 WeakPolarHBondContact O-CB 3.38Å; K97-F100 PolarHBondContact O-N 3.45Å; K97-F100 VanDerWaalsContact O-N 3.09Å; L98-F100 PolarHBondContact O-N 3.06Å; F100-V105 HydrophobicContact CD1-CG1 4.4Å; F100-V105 WeakPolarHBondContact O-CB 3.34Å; F100-V105 WeakPolarHBondContact O-CG1 3.43Å; F100-R110 HydrophobicContact CB-CG 4.49Å; F100-R110 PolarHBondContact O-NE 2.84Å; F100-R110 VanDerWaalsContact O-NE 3.12Å; F100-A113 HydrophobicContact CD1-CB 3.79Å; F100-A113 HydrophobicContact CD2-CB 4.46Å; F100-A113 HydrophobicContact CE1-CB 3.42Å; F100-A113 VanDerWaalsContact CE1-CB 3.42Å; F100-A113 HydrophobicContact CE2-CB 4.15Å; F100-A113 HydrophobicContact CG-CB 4.29Å; F100-A113 HydrophobicContact CZ-CB 3.64Å; F100-V122 HydrophobicContact CE2-CG1 4.2Å; F100-V122 HydrophobicContact CZ-CG1 3.79Å; F100-V123 VanDerWaalsContact CZ-C 3.47Å; F100-W124 HydrophobicContact CD1-CB 3.96Å; F100-W124 HydrophobicContact CD1-CD2 4.16Å; F100-W124 AromaticContact CD1-CE3 3.88Å; F100-W124 HydrophobicContact CD1-CE3 3.88Å; F100-W124 HydrophobicContact CD1-CG 4.24Å; F100-W124 HydrophobicContact CD2-CB 3.88Å; F100-W124 HydrophobicContact CE1-CB 3.76Å; F100-W124 HydrophobicContact CE1-CD2 4.05Å; F100-W124 AromaticContact CE1-CE3 3.47Å; F100-W124 HydrophobicContact CE1-CE3 3.47Å; F100-W124 VanDerWaalsContact CE1-CE3 3.47Å; F100-W124 HydrophobicContact CE1-CG 4.22Å; F100-W124 HydrophobicContact CE1-CZ3 4.37Å; F100-W124 HydrophobicContact CE2-CB 3.67Å; F100-W124 VanDerWaalsContact CE2-N 3.34Å; F100-W124 HydrophobicContact CG-CB 4.02Å; F100-W124 HydrophobicContact CZ-CB 3.59Å; F100-W124 HydrophobicContact CZ-CE3 4.25Å; F100-W124 VanDerWaalsContact CZ-N 3.34Å; F100-V129 HydrophobicContact CE1-CG1 4.33Å; F100-V129 HydrophobicContact CE1-CG2 4.13Å; F100-V129 HydrophobicContact CZ-CG1 4.22Å
101	Y	95.3	Very high	95.2	Very high	110 Å²	110	81 Å²	81	43%	0.431	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-100.7	11.3	177.5	-62.6	-88.3	0	0	0	112.4	K97 L98 K99 R110 E114	K97-Y101 HydrophobicContact CG-CE2 4.28Å; L98-Y101 PolarHBondContact O-N 3.32Å; K99-Y101 PolarHBondContact O-N 3.34Å; Y101-R110 HydrophobicContact CE1-CG 4.4Å; Y101-E114 PolarHBondContact OH-OE1 2.91Å
102	G	94.9	Very high	95.1	Very high	23 Å²	23	76.1 Å²	76.1	24%	0.237	36%	0.361	C	S	.	.	S	Bend	trans	-59.2	150	168.5	0	0	0	0	0	112.4	K99 D104 V105	K99-G102 PolarHBondContact O-N 3.48Å; G102-D104 PolarHBondContact O-N 3.48Å; G102-D104 VanDerWaalsContact O-N 3.16Å; G102-V105 PolarHBondContact O-N 2.94Å
103	H	93.9	Very high	95.2	Very high	190 Å²	190	67.3 Å²	67.3	88%	0.88	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.2	-177.4	71.7	-81.6	0	0	0	113.8
104	D	94.2	Very high	95.4	Very high	65 Å²	65	66.4 Å²	66.4	35%	0.348	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.9	-175.9	61.8	-34.9	0	0	0	113.4	G102 P106 K126	G102-D104 PolarHBondContact O-N 3.48Å; G102-D104 VanDerWaalsContact O-N 3.16Å; D104-P106 WeakPolarHBondContact O-CD 3.38Å; D104-K126 WeakPolarHBondContact OD2-CD 3.45Å; D104-K126 VanDerWaalsContact OD2-CE 3.24Å; D104-K126 WeakPolarHBondContact OD2-CE 3.47Å; D104-K126 IonicContact OD2-NZ 2.65Å; D104-K126 PolarHBondContact OD2-NZ 3.14Å
105	V	97.4	Very high	95.5	Very high	8 Å²	8	63.7 Å²	63.7	5%	0.048	31%	0.307	C	S	.	.	S	Bend	trans	-85.8	122.6	179.7	-176.3	0	0	0	0	110.6	K99 F100 G102 A109 W124	K99-V105 WeakPolarHBondContact O-CG2 3.39Å; F100-V105 HydrophobicContact CD1-CG1 4.4Å; F100-V105 WeakPolarHBondContact O-CB 3.34Å; F100-V105 WeakPolarHBondContact O-CG1 3.43Å; G102-V105 PolarHBondContact O-N 2.94Å; V105-A109 HydrophobicContact CG1-CB 4.38Å; V105-W124 HydrophobicContact CB-CZ2 4.28Å; V105-W124 HydrophobicContact CG1-CD2 4.41Å; V105-W124 HydrophobicContact CG1-CH2 4.05Å; V105-W124 HydrophobicContact CG1-CZ2 3.95Å; V105-W124 HydrophobicContact CG1-CZ3 4.34Å; V105-W124 HydrophobicContact CG2-CD2 4.45Å; V105-W124 HydrophobicContact CG2-CZ2 3.9Å
106	P	96.9	Very high	95.5	Very high	54 Å²	54	57.2 Å²	57.2	35%	0.351	28%	0.279	S	S	.	.			trans	-58.6	138.7	176.4	-25.5	36.2	0	0	0	112.3	D104 D108 A109 R110 Y141	D104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-D108 PolarHBondContact O-N 3.19Å; P106-A109 HydrophobicContact CB-CB 4.21Å; P106-A109 WeakPolarHBondContact O-CB 3.45Å; P106-A109 PolarHBondContact O-N 3.02Å; P106-A109 VanDerWaalsContact O-N 3.1Å; P106-R110 PolarHBondContact O-N 3.17Å; P106-R110 VanDerWaalsContact O-N 3.14Å; P106-Y141 HydrophobicContact CB-CE2 4.07Å; P106-Y141 HydrophobicContact CG-CE2 4.07Å
107	V	95	Very high	95.7	Very high	78 Å²	78	57.2 Å²	57.2	47%	0.473	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-37.6	178.7	176.2	0	0	0	0	111.4	R110 K111	V107-R110 PolarHBondContact O-N 3.34Å; V107-K111 HydrophobicContact CG1-CD 4.01Å; V107-K111 HydrophobicContact CG1-CG 4.28Å; V107-K111 WeakPolarHBondContact O-CB 3.45Å; V107-K111 WeakPolarHBondContact O-CG 3.39Å; V107-K111 PolarHBondContact O-N 3.41Å
108	D	94.3	Very high	95.6	Very high	79 Å²	79	59.2 Å²	59.2	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-39.7	178	-73.1	-15.2	0	0	0	112.3	P106 K111 L112	P106-D108 PolarHBondContact O-N 3.19Å; D108-K111 PolarHBondContact O-N 3.49Å; D108-L112 WeakPolarHBondContact O-CB 3.44Å; D108-L112 PolarHBondContact O-N 3.48Å
109	A	97.2	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-46.1	175.3	0	0	0	0	0	111.3	V105 P106 L112 A113 W124 V129 Y141	V105-A109 HydrophobicContact CG1-CB 4.38Å; P106-A109 HydrophobicContact CB-CB 4.21Å; P106-A109 WeakPolarHBondContact O-CB 3.45Å; P106-A109 PolarHBondContact O-N 3.02Å; P106-A109 VanDerWaalsContact O-N 3.1Å; A109-L112 PolarHBondContact O-N 3.47Å; A109-A113 WeakPolarHBondContact O-CB 3.41Å; A109-A113 PolarHBondContact O-N 2.88Å; A109-W124 HydrophobicContact CB-CH2 4.18Å; A109-W124 HydrophobicContact CB-CZ3 3.8Å; A109-V129 HydrophobicContact CB-CG2 4.02Å; A109-Y141 HydrophobicContact CB-CD1 4.32Å; A109-Y141 HydrophobicContact CB-CD2 4.12Å; A109-Y141 HydrophobicContact CB-CE1 3.94Å; A109-Y141 HydrophobicContact CB-CE2 3.73Å; A109-Y141 HydrophobicContact CB-CG 4.4Å
110	R	96.1	Very high	95.4	Very high	62 Å²	62	57.2 Å²	57.2	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-48.9	177.9	-173.1	-170.6	-51.5	150.2	11.1	111.8	F100 Y101 P106 V107 L112 A113 E114	F100-R110 HydrophobicContact CB-CG 4.49Å; F100-R110 PolarHBondContact O-NE 2.84Å; F100-R110 VanDerWaalsContact O-NE 3.12Å; Y101-R110 HydrophobicContact CE1-CG 4.4Å; P106-R110 PolarHBondContact O-N 3.17Å; P106-R110 VanDerWaalsContact O-N 3.14Å; V107-R110 PolarHBondContact O-N 3.34Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 PolarHBondContact O-N 2.81Å; R110-A113 PolarHBondContact O-N 3.37Å; R110-E114 WeakPolarHBondContact O-CG 3.36Å; R110-E114 PolarHBondContact O-N 3.37Å
111	K	96	Very high	95.2	Very high	88 Å²	88	61.6 Å²	61.6	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-37.3	178.1	-83.3	-176.7	-178.5	179.3	0	112.4	V107 D108 Y115 F169	V107-K111 HydrophobicContact CG1-CD 4.01Å; V107-K111 HydrophobicContact CG1-CG 4.28Å; V107-K111 WeakPolarHBondContact O-CB 3.45Å; V107-K111 WeakPolarHBondContact O-CG 3.39Å; V107-K111 PolarHBondContact O-N 3.41Å; D108-K111 PolarHBondContact O-N 3.49Å; K111-Y115 PolarHBondContact O-N 3.08Å; K111-F169 HydrophobicContact CB-CZ 4.21Å; K111-F169 WeakPolarHBondContact O-CE2 3.25Å; K111-F169 VanDerWaalsContact O-CZ 3.3Å; K111-F169 WeakPolarHBondContact O-CZ 3.1Å
112	L	96.8	Very high	95.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-43.7	176.1	178.2	63.8	0	0	0	110.9	D108 A109 R110 Y115 L116 I137 V166 F169	D108-L112 WeakPolarHBondContact O-CB 3.44Å; D108-L112 PolarHBondContact O-N 3.48Å; A109-L112 PolarHBondContact O-N 3.47Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 PolarHBondContact O-N 2.81Å; L112-Y115 PolarHBondContact O-N 3.32Å; L112-L116 HydrophobicContact CD1-CD1 3.9Å; L112-L116 HydrophobicContact CD1-CG 4.14Å; L112-L116 HydrophobicContact CD2-CD1 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.75Å; L112-L116 HydrophobicContact CG-CG 4.38Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 2.94Å; L112-I137 HydrophobicContact CD2-CD1 4.15Å; L112-I137 HydrophobicContact CD2-CG2 4.03Å; L112-V166 HydrophobicContact CD1-CG1 4.4Å; L112-V166 HydrophobicContact CD1-CG2 4.24Å; L112-V166 HydrophobicContact CD2-CG1 4.45Å; L112-F169 VanDerWaalsContact CA-CZ 3.46Å; L112-F169 HydrophobicContact CB-CE1 3.87Å; L112-F169 HydrophobicContact CB-CZ 4.04Å; L112-F169 HydrophobicContact CD1-CB 4.4Å; L112-F169 HydrophobicContact CD1-CD1 3.5Å; L112-F169 HydrophobicContact CD1-CE1 3.67Å; L112-F169 HydrophobicContact CD1-CG 3.93Å; L112-F169 HydrophobicContact CD1-CZ 4.21Å; L112-F169 HydrophobicContact CG-CE1 4.37Å
113	A	96.5	Very high	95.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-48	176.4	0	0	0	0	0	111.7	F100 A109 R110 Y115 L116 E117 V122 V129	F100-A113 HydrophobicContact CD1-CB 3.79Å; F100-A113 HydrophobicContact CD2-CB 4.46Å; F100-A113 HydrophobicContact CE1-CB 3.42Å; F100-A113 VanDerWaalsContact CE1-CB 3.42Å; F100-A113 HydrophobicContact CE2-CB 4.15Å; F100-A113 HydrophobicContact CG-CB 4.29Å; F100-A113 HydrophobicContact CZ-CB 3.64Å; A109-A113 WeakPolarHBondContact O-CB 3.41Å; A109-A113 PolarHBondContact O-N 2.88Å; R110-A113 PolarHBondContact O-N 3.37Å; A113-Y115 PolarHBondContact O-N 3.43Å; A113-L116 PolarHBondContact O-N 2.94Å; A113-L116 VanDerWaalsContact O-N 3.12Å; A113-E117 WeakPolarHBondContact O-CB 3.35Å; A113-E117 VanDerWaalsContact O-CG 3.3Å; A113-E117 WeakPolarHBondContact O-CG 3.37Å; A113-E117 PolarHBondContact O-N 3.18Å; A113-V122 HydrophobicContact CB-CG1 3.98Å; A113-V129 HydrophobicContact CB-CG1 4.32Å
114	E	95.5	Very high	95.5	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-56.8	-37.3	177	-73.6	170.7	174.7	0	0	112.6	Y101 R110	Y101-E114 PolarHBondContact OH-OE1 2.91Å; R110-E114 WeakPolarHBondContact O-CG 3.36Å; R110-E114 PolarHBondContact O-N 3.37Å
115	Y	96	Very high	95.7	Very high	47 Å²	47	51.1 Å²	51.1	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-69.5	-46.7	175.3	-178.5	-100	0	0	0	112.1	K111 L112 A113 T118 V165 F169 E172	K111-Y115 PolarHBondContact O-N 3.08Å; L112-Y115 PolarHBondContact O-N 3.32Å; A113-Y115 PolarHBondContact O-N 3.43Å; Y115-T118 WeakPolarHBondContact O-CB 3.42Å; Y115-T118 PolarHBondContact O-N 3.39Å; Y115-T118 PolarHBondContact O-OG1 3.29Å; Y115-V165 HydrophobicContact CD1-CG1 4.24Å; Y115-V165 HydrophobicContact CE1-CG1 3.63Å; Y115-F169 HydrophobicContact CD1-CB 3.85Å; Y115-F169 AromaticContact CD1-CD2 3.62Å; Y115-F169 HydrophobicContact CD1-CD2 3.62Å; Y115-F169 HydrophobicContact CD1-CE2 4.42Å; Y115-F169 HydrophobicContact CD1-CG 4.06Å; Y115-F169 AromaticContact CD2-CD2 3.7Å; Y115-F169 HydrophobicContact CD2-CD2 3.7Å; Y115-F169 HydrophobicContact CD2-CE2 4.24Å; Y115-F169 HydrophobicContact CE1-CB 3.72Å; Y115-F169 HydrophobicContact CE1-CD2 4.14Å; Y115-F169 HydrophobicContact CE1-CG 4.39Å; Y115-F169 HydrophobicContact CE2-CD2 4.2Å; Y115-F169 HydrophobicContact CG-CB 4.44Å; Y115-F169 AromaticContact CG-CD2 3.35Å; Y115-F169 HydrophobicContact CG-CD2 3.35Å; Y115-F169 AromaticContact CG-CE2 3.85Å; Y115-F169 HydrophobicContact CG-CE2 3.85Å; Y115-F169 HydrophobicContact CG-CG 4.25Å; Y115-E172 PolarHBondContact OH-OE2 2.77Å
116	L	96.8	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.4	-32.4	-177.9	-68.4	171.2	0	0	0	113	L112 A113 T118 F119 F120 V122 V131 I137 V165 V166	L112-L116 HydrophobicContact CD1-CD1 3.9Å; L112-L116 HydrophobicContact CD1-CG 4.14Å; L112-L116 HydrophobicContact CD2-CD1 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.75Å; L112-L116 HydrophobicContact CG-CG 4.38Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 2.94Å; A113-L116 PolarHBondContact O-N 2.94Å; A113-L116 VanDerWaalsContact O-N 3.12Å; L116-T118 PolarHBondContact O-N 2.85Å; L116-T118 VanDerWaalsContact O-N 3.1Å; L116-F119 PolarHBondContact O-N 2.97Å; L116-F120 HydrophobicContact CB-CD2 4.43Å; L116-F120 HydrophobicContact CD2-CD2 4.15Å; L116-F120 HydrophobicContact CD2-CE2 4.17Å; L116-F120 PolarHBondContact O-N 3.37Å; L116-V122 HydrophobicContact CB-CG2 3.78Å; L116-V131 HydrophobicContact CD1-CG2 3.89Å; L116-I137 HydrophobicContact CD1-CD1 3.64Å; L116-V165 HydrophobicContact CD2-CB 4.36Å; L116-V165 HydrophobicContact CD2-CG1 3.65Å; L116-V166 HydrophobicContact CD1-CG2 4.5Å
117	E	94.3	Very high	95.6	Very high	53 Å²	53	57 Å²	57	25%	0.248	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21	176.4	-82	-178.6	179.3	0	0	113.2	K97 A113 F119 F120 V122	K97-E117 VanDerWaalsContact CE-OE2 3.31Å; K97-E117 WeakPolarHBondContact CE-OE2 3.45Å; K97-E117 IonicContact NZ-OE2 2.74Å; K97-E117 PolarHBondContact NZ-OE2 3.07Å; A113-E117 WeakPolarHBondContact O-CB 3.35Å; A113-E117 VanDerWaalsContact O-CG 3.3Å; A113-E117 WeakPolarHBondContact O-CG 3.37Å; A113-E117 PolarHBondContact O-N 3.18Å; E117-F119 PolarHBondContact O-N 3.11Å; E117-F120 WeakPolarHBondContact CA-O 3.37Å; E117-V122 HydrophobicContact CG-CB 3.85Å; E117-V122 HydrophobicContact CG-CG2 3.89Å
118	T	92	Very high	95.7	Very high	102 Å²	102	55.9 Å²	55.9	63%	0.626	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.3	174.6	-51.5	0	0	0	0	112	Y115 L116	Y115-T118 WeakPolarHBondContact O-CB 3.42Å; Y115-T118 PolarHBondContact O-N 3.39Å; Y115-T118 PolarHBondContact O-OG1 3.29Å; L116-T118 PolarHBondContact O-N 2.85Å; L116-T118 VanDerWaalsContact O-N 3.1Å
119	F	92.2	Very high	95.9	Very high	121 Å²	121	52.1 Å²	52.1	53%	0.531	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-24.9	-171.4	-49.9	-72.1	0	0	0	113.4	L116 E117	L116-F119 PolarHBondContact O-N 2.97Å; E117-F119 PolarHBondContact O-N 3.11Å
120	F	95.4	Very high	95.9	Very high	36 Å²	36	52.7 Å²	52.7	16%	0.158	26%	0.262	C	S	.	.	S	Bend	trans	-139.1	159.3	-168.4	-48.3	-64.8	0	0	0	112.5	L116 E117 V131 M132 Y161 V162 V165	L116-F120 HydrophobicContact CB-CD2 4.43Å; L116-F120 HydrophobicContact CD2-CD2 4.15Å; L116-F120 HydrophobicContact CD2-CE2 4.17Å; L116-F120 PolarHBondContact O-N 3.37Å; E117-F120 WeakPolarHBondContact CA-O 3.37Å; F120-V131 HydrophobicContact CB-CG1 3.53Å; F120-V131 HydrophobicContact CD2-CG1 3.94Å; F120-V131 HydrophobicContact CG-CG1 3.83Å; F120-M132 HydrophobicContact CB-CG 4.21Å; F120-M132 HydrophobicContact CD1-CG 4.29Å; F120-M132 HydrophobicContact CD1-SD 3.73Å; F120-M132 HydrophobicContact CE1-SD 4.24Å; F120-M132 HydrophobicContact CG-SD 4.45Å; F120-Y161 HydrophobicContact CE1-CD1 4.21Å; F120-Y161 HydrophobicContact CE1-CE1 4.12Å; F120-Y161 AromaticContact CZ-CD1 3.77Å; F120-Y161 HydrophobicContact CZ-CD1 3.77Å; F120-Y161 AromaticContact CZ-CE1 3.59Å; F120-Y161 HydrophobicContact CZ-CE1 3.59Å; F120-V162 HydrophobicContact CD2-CG2 4.46Å; F120-V162 HydrophobicContact CE2-CG2 4.14Å; F120-V162 HydrophobicContact CZ-CG2 4.22Å; F120-V165 HydrophobicContact CE2-CG1 4.46Å; F120-V165 HydrophobicContact CE2-CG2 4.45Å
121	T	94	Very high	96	Very high	97 Å²	97	49.8 Å²	49.8	60%	0.595	25%	0.25	S	S	*	.			trans	-70.7	127.6	163.1	-53.3	0	0	0	0	109.3	V131 M132	T121-V131 WeakPolarHBondContact O-CA 3.37Å; T121-M132 PolarHBondContact O-N 3.08Å
122	V	96.6	Very high	96	Very high	13 Å²	13	48 Å²	48	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.4	-178.3	-172.9	0	0	0	0	110	F100 A113 L116 E117 V129 V130 V131	F100-V122 HydrophobicContact CE2-CG1 4.2Å; F100-V122 HydrophobicContact CZ-CG1 3.79Å; A113-V122 HydrophobicContact CB-CG1 3.98Å; L116-V122 HydrophobicContact CB-CG2 3.78Å; E117-V122 HydrophobicContact CG-CB 3.85Å; E117-V122 HydrophobicContact CG-CG2 3.89Å; V122-V129 HydrophobicContact CG1-CG1 3.45Å; V122-V129 VanDerWaalsContact CG1-CG1 3.45Å; V122-V130 CarbonylContact C-O 3.58Å; V122-V130 VanDerWaalsContact CA-O 3.32Å; V122-V130 WeakPolarHBondContact CA-O 3.45Å; V122-V131 HydrophobicContact CG2-CG2 4.39Å
123	V	96.3	Very high	96	Very high	36 Å²	36	53.6 Å²	53.6	22%	0.218	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.6	-179.4	179.2	0	0	0	0	109.7	F100 V130	F100-V123 VanDerWaalsContact CZ-C 3.47Å; V123-V130 HydrophobicContact CB-CB 4.48Å; V123-V130 PolarHBondContact N-O 2.89Å; V123-V130 PolarHBondContact O-N 2.95Å
124	W	97.3	Very high	96	Very high	22 Å²	22	54.5 Å²	54.5	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.5	171.5	-178.1	-118.1	0	0	0	110	K99 F100 V105 A109 K126 P127 V129 Y141	K99-W124 HydrophobicContact CB-CB 4.04Å; K99-W124 HydrophobicContact CB-CG 4.42Å; F100-W124 HydrophobicContact CD1-CB 3.96Å; F100-W124 HydrophobicContact CD1-CD2 4.16Å; F100-W124 AromaticContact CD1-CE3 3.88Å; F100-W124 HydrophobicContact CD1-CE3 3.88Å; F100-W124 HydrophobicContact CD1-CG 4.24Å; F100-W124 HydrophobicContact CD2-CB 3.88Å; F100-W124 HydrophobicContact CE1-CB 3.76Å; F100-W124 HydrophobicContact CE1-CD2 4.05Å; F100-W124 AromaticContact CE1-CE3 3.47Å; F100-W124 HydrophobicContact CE1-CE3 3.47Å; F100-W124 VanDerWaalsContact CE1-CE3 3.47Å; F100-W124 HydrophobicContact CE1-CG 4.22Å; F100-W124 HydrophobicContact CE1-CZ3 4.37Å; F100-W124 HydrophobicContact CE2-CB 3.67Å; F100-W124 VanDerWaalsContact CE2-N 3.34Å; F100-W124 HydrophobicContact CG-CB 4.02Å; F100-W124 HydrophobicContact CZ-CB 3.59Å; F100-W124 HydrophobicContact CZ-CE3 4.25Å; F100-W124 VanDerWaalsContact CZ-N 3.34Å; V105-W124 HydrophobicContact CB-CZ2 4.28Å; V105-W124 HydrophobicContact CG1-CD2 4.41Å; V105-W124 HydrophobicContact CG1-CH2 4.05Å; V105-W124 HydrophobicContact CG1-CZ2 3.95Å; V105-W124 HydrophobicContact CG1-CZ3 4.34Å; V105-W124 HydrophobicContact CG2-CD2 4.45Å; V105-W124 HydrophobicContact CG2-CZ2 3.9Å; A109-W124 HydrophobicContact CB-CH2 4.18Å; A109-W124 HydrophobicContact CB-CZ3 3.8Å; W124-K126 HydrophobicContact CZ2-CB 4.16Å; W124-K126 HydrophobicContact CZ2-CG 4.16Å; W124-P127 WeakPolarHBondContact CH2-O 3.48Å; W124-V129 HydrophobicContact CE3-CG2 4.22Å; W124-V129 HydrophobicContact CZ3-CG2 4Å; W124-Y141 HydrophobicContact CZ3-CE1 4.41Å
125	D	96.5	Very high	96.2	Very high	96 Å²	96	50.7 Å²	50.7	51%	0.513	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	87.1	172.3	-178	23.3	0	0	0	108.8	H128 V130	D125-H128 CarbonylContact C-O 3.54Å; D125-H128 PolarHBondContact N-O 2.85Å; D125-H128 WeakPolarHBondContact O-CA 3.33Å; D125-H128 WeakPolarHBondContact O-CB 3.39Å; D125-H128 PolarHBondContact O-N 3.16Å; D125-V130 HydrophobicContact CB-CG2 3.69Å
126	K	95.9	Very high	96.3	Very high	130 Å²	130	49.6 Å²	49.6	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	128.7	-167	-178.3	-177.9	178.2	177	0	112	D104 W124	D104-K126 WeakPolarHBondContact OD2-CD 3.45Å; D104-K126 VanDerWaalsContact OD2-CE 3.24Å; D104-K126 WeakPolarHBondContact OD2-CE 3.47Å; D104-K126 IonicContact OD2-NZ 2.65Å; D104-K126 PolarHBondContact OD2-NZ 3.14Å; W124-K126 HydrophobicContact CZ2-CB 4.16Å; W124-K126 HydrophobicContact CZ2-CG 4.16Å
127	P	96.5	Very high	96.4	Very high	57 Å²	57	49.6 Å²	49.6	37%	0.37	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	14.8	3.7	38.1	-39	0	0	0	114.9	W124 P139 Y141	W124-P127 WeakPolarHBondContact CH2-O 3.48Å; P127-P139 HydrophobicContact CB-CG 3.97Å; P127-P139 HydrophobicContact CG-CG 4.22Å; P127-Y141 WeakPolarHBondContact O-CE1 3.18Å; P127-Y141 PolarHBondContact O-OH 3.5Å
128	H	98.1	Very high	96.6	Very high	54 Å²	54	48.5 Å²	48.5	25%	0.25	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	149.1	-169.4	-48.6	-74.4	0	0	0	113.4	D125 V130 I136 I137 S138	D125-H128 CarbonylContact C-O 3.54Å; D125-H128 PolarHBondContact N-O 2.85Å; D125-H128 WeakPolarHBondContact O-CA 3.33Å; D125-H128 WeakPolarHBondContact O-CB 3.39Å; D125-H128 PolarHBondContact O-N 3.16Å; H128-V130 HydrophobicContact CB-CG2 4.47Å; H128-I136 HydrophobicContact CB-CG2 3.8Å; H128-I137 WeakPolarHBondContact CA-O 3.24Å; H128-S138 PolarHBondContact CE1-OG 3.49Å; H128-S138 VanDerWaalsContact CE1-OG 3.28Å; H128-S138 WeakPolarHBondContact ND1-CB 3.44Å; H128-S138 PolarHBondContact ND1-OG 2.98Å
129	V	98	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.7	163.5	-176.5	0	0	0	0	107.5	F100 A109 A113 V122 W124 V131 I137 Y141	F100-V129 HydrophobicContact CE1-CG1 4.33Å; F100-V129 HydrophobicContact CE1-CG2 4.13Å; F100-V129 HydrophobicContact CZ-CG1 4.22Å; A109-V129 HydrophobicContact CB-CG2 4.02Å; A113-V129 HydrophobicContact CB-CG1 4.32Å; V122-V129 HydrophobicContact CG1-CG1 3.45Å; V122-V129 VanDerWaalsContact CG1-CG1 3.45Å; W124-V129 HydrophobicContact CE3-CG2 4.22Å; W124-V129 HydrophobicContact CZ3-CG2 4Å; V129-V131 HydrophobicContact CG1-CG2 4.41Å; V129-I137 HydrophobicContact CB-CB 4.18Å; V129-I137 PolarHBondContact N-O 3.4Å; V129-I137 WeakPolarHBondContact O-CB 3.45Å; V129-I137 PolarHBondContact O-N 3.49Å; V129-Y141 HydrophobicContact CG2-CD1 4.03Å; V129-Y141 HydrophobicContact CG2-CE1 4.08Å
130	V	98	Very high	97	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.073	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.4	-178.2	-178.5	0	0	0	0	109.4	V122 V123 D125 H128 T135 I136	V122-V130 CarbonylContact C-O 3.58Å; V122-V130 VanDerWaalsContact CA-O 3.32Å; V122-V130 WeakPolarHBondContact CA-O 3.45Å; V123-V130 HydrophobicContact CB-CB 4.48Å; V123-V130 PolarHBondContact N-O 2.89Å; V123-V130 PolarHBondContact O-N 2.95Å; D125-V130 HydrophobicContact CB-CG2 3.69Å; H128-V130 HydrophobicContact CB-CG2 4.47Å; V130-T135 CarbonylContact C-O 3.56Å; V130-T135 WeakPolarHBondContact CA-O 3.43Å; V130-I136 HydrophobicContact CB-CD1 4.27Å; V130-I136 HydrophobicContact CG1-CD1 3.86Å; V130-I136 HydrophobicContact CG2-CD1 3.66Å
131	V	97.7	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.2	-176.6	-173.4	0	0	0	0	109	L116 F120 T121 V122 V129 D133 H134 T135 I137 V162	L116-V131 HydrophobicContact CD1-CG2 3.89Å; F120-V131 HydrophobicContact CB-CG1 3.53Å; F120-V131 HydrophobicContact CD2-CG1 3.94Å; F120-V131 HydrophobicContact CG-CG1 3.83Å; T121-V131 WeakPolarHBondContact O-CA 3.37Å; V122-V131 HydrophobicContact CG2-CG2 4.39Å; V129-V131 HydrophobicContact CG1-CG2 4.41Å; V131-D133 PolarHBondContact O-N 3.45Å; V131-D133 VanDerWaalsContact O-N 3.17Å; V131-H134 PolarHBondContact O-N 2.98Å; V131-T135 HydrophobicContact CB-CG2 4.41Å; V131-T135 PolarHBondContact N-O 3.39Å; V131-T135 VanDerWaalsContact O-CB 3.29Å; V131-T135 WeakPolarHBondContact O-CB 3.5Å; V131-T135 PolarHBondContact O-N 2.99Å; V131-I137 HydrophobicContact CG2-CD1 3.82Å; V131-I137 HydrophobicContact CG2-CG1 4.44Å; V131-V162 HydrophobicContact CB-CG1 4.4Å; V131-V162 HydrophobicContact CG1-CG1 4.38Å; V131-V162 HydrophobicContact CG1-CG2 3.97Å; V131-V162 HydrophobicContact CG2-CG1 4.31Å
132	M	96.4	Very high	97.3	Very high	52 Å²	52	41.8 Å²	41.8	26%	0.256	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	30.9	-178.1	-59	173.8	65.9	0	0	113.6	F120 T121 H134 Q158	F120-M132 HydrophobicContact CB-CG 4.21Å; F120-M132 HydrophobicContact CD1-CG 4.29Å; F120-M132 HydrophobicContact CD1-SD 3.73Å; F120-M132 HydrophobicContact CE1-SD 4.24Å; F120-M132 HydrophobicContact CG-SD 4.45Å; T121-M132 PolarHBondContact O-N 3.08Å; M132-H134 WeakPolarHBondContact CB-NE2 3.5Å; M132-H134 PolarHBondContact O-CD2 3.42Å; M132-H134 PolarHBondContact O-N 3.48Å; M132-Q158 HydrophobicContact CE-CB 4.4Å; M132-Q158 HydrophobicContact CE-CG 4.13Å; M132-Q158 HydrophobicContact SD-CB 4.45Å
133	D	96	Very high	97.3	Very high	116 Å²	116	44.6 Å²	44.6	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	-17.9	-176.4	-53.4	-37.1	0	0	0	116	V131 N149	V131-D133 PolarHBondContact O-N 3.45Å; V131-D133 VanDerWaalsContact O-N 3.17Å; D133-N149 PolarHBondContact O-ND2 3.45Å
134	H	97.4	Very high	97.3	Very high	20 Å²	20	48.6 Å²	48.6	9%	0.093	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-19.9	-173.6	66	69.9	0	0	0	115.9	V131 M132 C148 N149 A155 Q158 T159	V131-H134 PolarHBondContact O-N 2.98Å; M132-H134 WeakPolarHBondContact CB-NE2 3.5Å; M132-H134 PolarHBondContact O-CD2 3.42Å; M132-H134 PolarHBondContact O-N 3.48Å; H134-C148 CarbonylContact O-C 3.53Å; H134-C148 WeakPolarHBondContact O-CA 3.09Å; H134-N149 WeakPolarHBondContact CA-OD1 3.49Å; H134-N149 WeakPolarHBondContact CB-OD1 3.49Å; H134-N149 PolarHBondContact O-N 2.89Å; H134-N149 PolarHBondContact O-OD1 3Å; H134-A155 HydrophobicContact CB-CB 4.13Å; H134-A155 PolarHBondContact CE1-O 2.95Å; H134-A155 PolarHBondContact ND1-O 3.21Å; H134-Q158 PolarHBondContact NE2-OE1 3.22Å; H134-Q158 VanDerWaalsContact NE2-OE1 3.08Å; H134-T159 PolarHBondContact ND1-OG1 3.27Å
135	T	98.4	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.9	-180	-56.5	0	0	0	0	109.5	V130 V131 I137 V146 S147 T159 V162	V130-T135 CarbonylContact C-O 3.56Å; V130-T135 WeakPolarHBondContact CA-O 3.43Å; V131-T135 HydrophobicContact CB-CG2 4.41Å; V131-T135 PolarHBondContact N-O 3.39Å; V131-T135 VanDerWaalsContact O-CB 3.29Å; V131-T135 WeakPolarHBondContact O-CB 3.5Å; V131-T135 PolarHBondContact O-N 2.99Å; T135-I137 HydrophobicContact CG2-CG1 4.39Å; T135-V146 HydrophobicContact CG2-CG1 3.51Å; T135-S147 CarbonylContact C-O 3.55Å; T135-S147 WeakPolarHBondContact CA-O 3.14Å; T135-T159 HydrophobicContact CG2-CG2 3.88Å; T135-T159 PolarHBondContact OG1-OG1 3.39Å; T135-T159 VanDerWaalsContact OG1-OG1 3.09Å; T135-V162 HydrophobicContact CG2-CB 3.98Å; T135-V162 HydrophobicContact CG2-CG1 3.69Å; T135-V162 HydrophobicContact CG2-CG2 4.44Å
136	I	98.6	Very high	97.4	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	-179.4	-49.3	-58.9	0	0	0	108.9	H128 V130 V146 S147 N149	H128-I136 HydrophobicContact CB-CG2 3.8Å; V130-I136 HydrophobicContact CB-CD1 4.27Å; V130-I136 HydrophobicContact CG1-CD1 3.86Å; V130-I136 HydrophobicContact CG2-CD1 3.66Å; I136-V146 CarbonylContact O-C 3.53Å; I136-V146 WeakPolarHBondContact O-CA 3.34Å; I136-S147 PolarHBondContact N-O 2.95Å; I136-S147 PolarHBondContact O-N 3.45Å; I136-N149 HydrophobicContact CG1-CB 4.15Å
137	I	98.6	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.7	174.7	-46.8	176.3	0	0	0	107.8	L112 L116 H128 V129 V131 T135 Y141 V146 V162 V166	L112-I137 HydrophobicContact CD2-CD1 4.15Å; L112-I137 HydrophobicContact CD2-CG2 4.03Å; L116-I137 HydrophobicContact CD1-CD1 3.64Å; H128-I137 WeakPolarHBondContact CA-O 3.24Å; V129-I137 HydrophobicContact CB-CB 4.18Å; V129-I137 PolarHBondContact N-O 3.4Å; V129-I137 WeakPolarHBondContact O-CB 3.45Å; V129-I137 PolarHBondContact O-N 3.49Å; V131-I137 HydrophobicContact CG2-CD1 3.82Å; V131-I137 HydrophobicContact CG2-CG1 4.44Å; T135-I137 HydrophobicContact CG2-CG1 4.39Å; I137-Y141 HydrophobicContact CG2-CD1 4.34Å; I137-V146 HydrophobicContact CG1-CG1 4.48Å; I137-V146 HydrophobicContact CG1-CG2 4.17Å; I137-V146 HydrophobicContact CG2-CG2 4.24Å; I137-V162 HydrophobicContact CD1-CG1 4.15Å; I137-V166 HydrophobicContact CD1-CG2 3.74Å
138	S	98.3	Very high	97.6	Very high	29 Å²	29	41.6 Å²	41.6	20%	0.203	23%	0.231	C	C	.	.			trans	-87.2	157.7	-178.5	-57.9	0	0	0	0	111.6	H128 Y141 N145	H128-S138 PolarHBondContact CE1-OG 3.49Å; H128-S138 VanDerWaalsContact CE1-OG 3.28Å; H128-S138 WeakPolarHBondContact ND1-CB 3.44Å; H128-S138 PolarHBondContact ND1-OG 2.98Å; S138-Y141 WeakPolarHBondContact O-CA 3.36Å; S138-Y141 PolarHBondContact O-N 2.6Å; S138-N145 PolarHBondContact N-O 3.21Å; S138-N145 WeakPolarHBondContact O-CB 3.33Å
139	P	97.8	Very high	97.5	Very high	57 Å²	57	43.8 Å²	43.8	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	146.1	168	-21.3	28.7	0	0	0	111.7	P127 Y141	P127-P139 HydrophobicContact CB-CG 3.97Å; P127-P139 HydrophobicContact CG-CG 4.22Å; P139-Y141 VanDerWaalsContact CA-N 3.29Å; P139-Y141 HydrophobicContact CB-CE2 4.18Å; P139-Y141 HydrophobicContact CG-CE1 4.04Å; P139-Y141 HydrophobicContact CG-CE2 4.26Å
140	P	96.1	Very high	97.4	Very high	79 Å²	79	45.8 Å²	45.8	51%	0.513	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	cis	-77.5	24.7	-2.9	33.2	-41	0	0	0	115.5	K142 N145	P140-K142 VanDerWaalsContact C-N 3.35Å; P140-K142 HydrophobicContact CB-CG 4.46Å; P140-K142 HydrophobicContact CG-CG 4.03Å; P140-K142 PolarHBondContact O-N 2.73Å; P140-N145 WeakPolarHBondContact CD-OD1 3.43Å; P140-N145 WeakPolarHBondContact CG-OD1 3.31Å
141	Y	97.2	Very high	97.2	Very high	10 Å²	10	52 Å²	52	4%	0.039	29%	0.291	C	S	.	.			trans	64.7	34.8	175.1	-44.8	-73.9	0	0	0	114	P106 A109 W124 P127 V129 I137 S138 P139 Y170	P106-Y141 HydrophobicContact CB-CE2 4.07Å; P106-Y141 HydrophobicContact CG-CE2 4.07Å; A109-Y141 HydrophobicContact CB-CD1 4.32Å; A109-Y141 HydrophobicContact CB-CD2 4.12Å; A109-Y141 HydrophobicContact CB-CE1 3.94Å; A109-Y141 HydrophobicContact CB-CE2 3.73Å; A109-Y141 HydrophobicContact CB-CG 4.4Å; W124-Y141 HydrophobicContact CZ3-CE1 4.41Å; P127-Y141 WeakPolarHBondContact O-CE1 3.18Å; P127-Y141 PolarHBondContact O-OH 3.5Å; V129-Y141 HydrophobicContact CG2-CD1 4.03Å; V129-Y141 HydrophobicContact CG2-CE1 4.08Å; I137-Y141 HydrophobicContact CG2-CD1 4.34Å; S138-Y141 WeakPolarHBondContact O-CA 3.36Å; S138-Y141 PolarHBondContact O-N 2.6Å; P139-Y141 VanDerWaalsContact CA-N 3.29Å; P139-Y141 HydrophobicContact CB-CE2 4.18Å; P139-Y141 HydrophobicContact CG-CE1 4.04Å; P139-Y141 HydrophobicContact CG-CE2 4.26Å; Y141-Y170 WeakPolarHBondContact O-CE2 3.32Å; Y141-Y170 VanDerWaalsContact O-CZ 3.29Å; Y141-Y170 PolarHBondContact O-OH 2.8Å
142	K	97	Very high	97.1	Very high	69 Å²	69	54.4 Å²	54.4	30%	0.3	31%	0.311	S	S	.	.	S	Bend	trans	-99.5	167.6	177.4	-59.7	-62.8	177.3	178.5	0	110.8	P140 N144 N145 Y170	P140-K142 VanDerWaalsContact C-N 3.35Å; P140-K142 HydrophobicContact CB-CG 4.46Å; P140-K142 HydrophobicContact CG-CG 4.03Å; P140-K142 PolarHBondContact O-N 2.73Å; K142-N144 VanDerWaalsContact CB-OD1 3.24Å; K142-N144 WeakPolarHBondContact CB-OD1 2.99Å; K142-N144 PolarHBondContact O-N 3.03Å; K142-N145 PolarHBondContact N-OD1 2.76Å; K142-N145 WeakPolarHBondContact O-CA 3.38Å; K142-N145 WeakPolarHBondContact O-CB 3.48Å; K142-N145 PolarHBondContact O-N 2.85Å; K142-Y170 HydrophobicContact CD-CD1 4.44Å; K142-Y170 HydrophobicContact CD-CD2 3.97Å; K142-Y170 HydrophobicContact CD-CE1 4.22Å; K142-Y170 HydrophobicContact CD-CE2 3.76Å; K142-Y170 HydrophobicContact CD-CG 4.31Å
143	E	96.4	Very high	97.1	Very high	72 Å²	72	59 Å²	59	34%	0.336	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-56	-32.3	179.1	63.5	-83.8	-162.6	0	0	112.8	N145 V146 Q163	E143-N145 PolarHBondContact O-N 2.96Å; E143-V146 PolarHBondContact O-N 3.04Å; E143-Q163 HydrophobicContact CB-CG 3.95Å; E143-Q163 VanDerWaalsContact O-CG 3.32Å; E143-Q163 WeakPolarHBondContact O-CG 3.46Å; E143-Q163 PolarHBondContact O-NE2 3.37Å
144	N	97	Very high	97.1	Very high	121 Å²	121	59.8 Å²	59.8	65%	0.647	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-75.9	-6.5	175.9	66.6	-15.7	0	0	0	113.7	K142	K142-N144 VanDerWaalsContact CB-OD1 3.24Å; K142-N144 WeakPolarHBondContact CB-OD1 2.99Å; K142-N144 PolarHBondContact O-N 3.03Å
145	N	97.9	Very high	97.1	Very high	38 Å²	38	59.1 Å²	59.1	20%	0.203	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-107.5	14.3	177.8	-51.2	120.1	0	0	0	113	S138 P140 K142 E143	S138-N145 PolarHBondContact N-O 3.21Å; S138-N145 WeakPolarHBondContact O-CB 3.33Å; P140-N145 WeakPolarHBondContact CD-OD1 3.43Å; P140-N145 WeakPolarHBondContact CG-OD1 3.31Å; K142-N145 PolarHBondContact N-OD1 2.76Å; K142-N145 WeakPolarHBondContact O-CA 3.38Å; K142-N145 WeakPolarHBondContact O-CB 3.48Å; K142-N145 PolarHBondContact O-N 2.85Å; E143-N145 PolarHBondContact O-N 2.96Å
146	V	98.3	Very high	97.1	Very high	20 Å²	20	62.9 Å²	62.9	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.3	175.1	-174.1	0	0	0	0	108.8	T135 I136 I137 E143 T159 Q163 V166	T135-V146 HydrophobicContact CG2-CG1 3.51Å; I136-V146 CarbonylContact O-C 3.53Å; I136-V146 WeakPolarHBondContact O-CA 3.34Å; I137-V146 HydrophobicContact CG1-CG1 4.48Å; I137-V146 HydrophobicContact CG1-CG2 4.17Å; I137-V146 HydrophobicContact CG2-CG2 4.24Å; E143-V146 PolarHBondContact O-N 3.04Å; V146-T159 HydrophobicContact CG1-CG2 3.8Å; V146-Q163 HydrophobicContact CB-CB 4.2Å; V146-Q163 HydrophobicContact CB-CG 4.23Å; V146-Q163 HydrophobicContact CG1-CB 4.16Å; V146-Q163 HydrophobicContact CG2-CB 4.38Å; V146-Q163 HydrophobicContact CG2-CG 4.32Å; V146-V166 HydrophobicContact CG2-CG2 4.2Å
147	S	97.8	Very high	97.1	Very high	59 Å²	59	64.7 Å²	64.7	41%	0.413	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.6	177	62.5	0	0	0	0	111.5	T135 I136	T135-S147 CarbonylContact C-O 3.55Å; T135-S147 WeakPolarHBondContact CA-O 3.14Å; I136-S147 PolarHBondContact N-O 2.95Å; I136-S147 PolarHBondContact O-N 3.45Å
148	C	98	Very high	97	Very high	41 Å²	41	67.2 Å²	67.2	28%	0.277	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.2	175.2	-172.3	0	0	0	0	109.3	H134 S150 K156 T159	H134-C148 CarbonylContact O-C 3.53Å; H134-C148 WeakPolarHBondContact O-CA 3.09Å; C148-S150 PolarHBondContact SG-N 3.09Å; C148-S150 PolarHBondContact SG-O 2.78Å; C148-K156 HydrophobicContact CB-CG 4.5Å; C148-T159 HydrophobicContact CB-CG2 3.96Å; C148-T159 WeakPolarHBondContact CB-OG1 3.17Å; C148-T159 PolarHBondContact SG-OG1 2.8Å
149	N	96.6	Very high	97	Very high	100 Å²	100	66.2 Å²	66.2	54%	0.535	37%	0.365	S	S	.	.			trans	-92.5	-0.1	175.5	72.8	6.6	0	0	0	113.4	D133 H134 I136	D133-N149 PolarHBondContact O-ND2 3.45Å; H134-N149 WeakPolarHBondContact CA-OD1 3.49Å; H134-N149 WeakPolarHBondContact CB-OD1 3.49Å; H134-N149 PolarHBondContact O-N 2.89Å; H134-N149 PolarHBondContact O-OD1 3Å; I136-N149 HydrophobicContact CG1-CB 4.15Å
150	S	95.4	Very high	97	Very high	41 Å²	41	67.6 Å²	67.6	29%	0.287	37%	0.369	S	S	.	.			trans	-119.4	142.2	-175.3	176.5	0	0	0	0	111.4	C148 A152	C148-S150 PolarHBondContact SG-N 3.09Å; C148-S150 PolarHBondContact SG-O 2.78Å; S150-A152 VanDerWaalsContact C-N 3.33Å; S150-A152 PolarHBondContact OG-N 2.8Å
151	D	94.6	Very high	97.1	Very high	142 Å²	142	69.7 Å²	69.7	76%	0.759	37%	0.368	S	S	*	.			trans	-82.6	-10.4	177.9	-79.8	-44.4	0	0	0	114.3	Q153 K156	D151-Q153 PolarHBondContact O-N 2.91Å; D151-K156 PolarHBondContact O-NZ 3.38Å; D151-K156 IonicContact OD1-NZ 3.03Å; D151-K156 PolarHBondContact OD1-NZ 2.97Å
152	A	96.4	Very high	97.1	Very high	51 Å²	51	69.2 Å²	69.2	42%	0.421	37%	0.366	S	S	.	.			trans	-61.6	130.5	179.8	0	0	0	0	0	111.2	S150 Q154 A155 K156	S150-A152 VanDerWaalsContact C-N 3.33Å; S150-A152 PolarHBondContact OG-N 2.8Å; A152-Q154 PolarHBondContact O-N 3.11Å; A152-A155 HydrophobicContact CB-CB 4.13Å; A152-A155 WeakPolarHBondContact O-CB 3.46Å; A152-A155 PolarHBondContact O-N 2.94Å; A152-K156 PolarHBondContact O-N 2.9Å; A152-K156 VanDerWaalsContact O-N 3.11Å
153	Q	95.8	Very high	97.2	Very high	149 Å²	149	69.3 Å²	69.3	70%	0.696	37%	0.368	S	S	*	.	H	α-helix	trans	-59.4	-33.9	-178.3	-176.2	64.1	-8.9	0	0	112.8	D151 K156 S157	D151-Q153 PolarHBondContact O-N 2.91Å; Q153-K156 PolarHBondContact O-N 3.23Å; Q153-S157 PolarHBondContact O-N 2.96Å; Q153-S157 VanDerWaalsContact O-N 3.08Å; Q153-S157 PolarHBondContact O-OG 3.29Å
154	Q	96.6	Very high	97.2	Very high	133 Å²	133	73.7 Å²	73.7	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-65.1	-41.5	174	-177.6	178.1	-1.8	0	0	112.2	A152 K156 S157 Q158	A152-Q154 PolarHBondContact O-N 3.11Å; Q154-K156 VanDerWaalsContact C-N 3.31Å; Q154-K156 PolarHBondContact O-N 3.07Å; Q154-S157 PolarHBondContact O-N 3.4Å; Q154-S157 PolarHBondContact O-OG 3.39Å; Q154-Q158 HydrophobicContact CG-CG 4.44Å; Q154-Q158 WeakPolarHBondContact O-CB 3.46Å; Q154-Q158 VanDerWaalsContact O-CG 3.25Å; Q154-Q158 WeakPolarHBondContact O-CG 3.34Å; Q154-Q158 PolarHBondContact O-N 3Å; Q154-Q158 PolarHBondContact O-OE1 3.26Å
155	A	97.2	Very high	97.3	Very high	6 Å²	6	68.6 Å²	68.6	5%	0.05	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-38.5	178	0	0	0	0	0	111.1	H134 A152 Q158 T159	H134-A155 HydrophobicContact CB-CB 4.13Å; H134-A155 PolarHBondContact CE1-O 2.95Å; H134-A155 PolarHBondContact ND1-O 3.21Å; A152-A155 HydrophobicContact CB-CB 4.13Å; A152-A155 WeakPolarHBondContact O-CB 3.46Å; A152-A155 PolarHBondContact O-N 2.94Å; A155-Q158 PolarHBondContact O-N 3.39Å; A155-T159 WeakPolarHBondContact O-CB 3.43Å; A155-T159 PolarHBondContact O-N 3.28Å; A155-T159 PolarHBondContact O-OG1 2.74Å
156	K	97.8	Very high	97.2	Very high	78 Å²	78	66.8 Å²	66.8	34%	0.339	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-49.1	175.2	-67.6	175.8	179.9	166	0	111.7	C148 D151 A152 Q153 Q154 Q158 T159 D160	C148-K156 HydrophobicContact CB-CG 4.5Å; D151-K156 PolarHBondContact O-NZ 3.38Å; D151-K156 IonicContact OD1-NZ 3.03Å; D151-K156 PolarHBondContact OD1-NZ 2.97Å; A152-K156 PolarHBondContact O-N 2.9Å; A152-K156 VanDerWaalsContact O-N 3.11Å; Q153-K156 PolarHBondContact O-N 3.23Å; Q154-K156 VanDerWaalsContact C-N 3.31Å; Q154-K156 PolarHBondContact O-N 3.07Å; K156-Q158 VanDerWaalsContact C-N 3.34Å; K156-Q158 PolarHBondContact O-N 2.87Å; K156-T159 WeakPolarHBondContact O-CB 3.22Å; K156-T159 PolarHBondContact O-N 2.84Å; K156-T159 VanDerWaalsContact O-N 3.14Å; K156-D160 PolarHBondContact O-N 2.92Å
157	S	97.7	Very high	97.2	Very high	63 Å²	63	67 Å²	67	44%	0.441	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-34.7	178.6	65.5	0	0	0	0	113.4	Q153 Q154 Y161	Q153-S157 PolarHBondContact O-N 2.96Å; Q153-S157 VanDerWaalsContact O-N 3.08Å; Q153-S157 PolarHBondContact O-OG 3.29Å; Q154-S157 PolarHBondContact O-N 3.4Å; Q154-S157 PolarHBondContact O-OG 3.39Å; S157-Y161 PolarHBondContact O-N 2.63Å; S157-Y161 VanDerWaalsContact O-N 3.13Å
158	Q	97.7	Very high	97	Very high	54 Å²	54	71 Å²	71	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-40.4	171.8	-73.7	169.6	-23.6	0	0	111.5	M132 H134 Q154 A155 K156 Y161 V162	M132-Q158 HydrophobicContact CE-CB 4.4Å; M132-Q158 HydrophobicContact CE-CG 4.13Å; M132-Q158 HydrophobicContact SD-CB 4.45Å; H134-Q158 PolarHBondContact NE2-OE1 3.22Å; H134-Q158 VanDerWaalsContact NE2-OE1 3.08Å; Q154-Q158 HydrophobicContact CG-CG 4.44Å; Q154-Q158 WeakPolarHBondContact O-CB 3.46Å; Q154-Q158 VanDerWaalsContact O-CG 3.25Å; Q154-Q158 WeakPolarHBondContact O-CG 3.34Å; Q154-Q158 PolarHBondContact O-N 3Å; Q154-Q158 PolarHBondContact O-OE1 3.26Å; A155-Q158 PolarHBondContact O-N 3.39Å; K156-Q158 VanDerWaalsContact C-N 3.34Å; K156-Q158 PolarHBondContact O-N 2.87Å; Q158-Y161 WeakPolarHBondContact O-CB 3.27Å; Q158-Y161 PolarHBondContact O-N 2.86Å; Q158-Y161 VanDerWaalsContact O-N 3.16Å; Q158-V162 WeakPolarHBondContact O-CG2 3.34Å; Q158-V162 PolarHBondContact O-N 2.8Å
159	T	98.2	Very high	96.9	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.043	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-45.1	174.6	-58.1	0	0	0	0	111.3	H134 T135 V146 C148 A155 K156 Y161 V162 Q163	H134-T159 PolarHBondContact ND1-OG1 3.27Å; T135-T159 HydrophobicContact CG2-CG2 3.88Å; T135-T159 PolarHBondContact OG1-OG1 3.39Å; T135-T159 VanDerWaalsContact OG1-OG1 3.09Å; V146-T159 HydrophobicContact CG1-CG2 3.8Å; C148-T159 HydrophobicContact CB-CG2 3.96Å; C148-T159 WeakPolarHBondContact CB-OG1 3.17Å; C148-T159 PolarHBondContact SG-OG1 2.8Å; A155-T159 WeakPolarHBondContact O-CB 3.43Å; A155-T159 PolarHBondContact O-N 3.28Å; A155-T159 PolarHBondContact O-OG1 2.74Å; K156-T159 WeakPolarHBondContact O-CB 3.22Å; K156-T159 PolarHBondContact O-N 2.84Å; K156-T159 VanDerWaalsContact O-N 3.14Å; T159-Y161 PolarHBondContact O-N 2.81Å; T159-V162 PolarHBondContact O-N 3.21Å; T159-V162 VanDerWaalsContact O-N 3.16Å; T159-Q163 PolarHBondContact O-N 2.9Å
160	D	98	Very high	96.8	Very high	86 Å²	86	65.8 Å²	65.8	46%	0.46	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-33.2	176	-64.5	-19.1	0	0	0	112	K156 R164	K156-D160 PolarHBondContact O-N 2.92Å; D160-R164 PolarHBondContact O-N 2.68Å; D160-R164 PolarHBondContact O-NE 3.47Å
161	Y	97.9	Very high	96.7	Very high	124 Å²	124	69.5 Å²	69.5	49%	0.486	33%	0.333	S	S	.	.	H	α-helix	trans	-68.4	-48.6	172.4	-177.1	-114.8	0	0	0	111.6	F120 S157 Q158 T159 Q163 R164 V165	F120-Y161 HydrophobicContact CE1-CD1 4.21Å; F120-Y161 HydrophobicContact CE1-CE1 4.12Å; F120-Y161 AromaticContact CZ-CD1 3.77Å; F120-Y161 HydrophobicContact CZ-CD1 3.77Å; F120-Y161 AromaticContact CZ-CE1 3.59Å; F120-Y161 HydrophobicContact CZ-CE1 3.59Å; S157-Y161 PolarHBondContact O-N 2.63Å; S157-Y161 VanDerWaalsContact O-N 3.13Å; Q158-Y161 WeakPolarHBondContact O-CB 3.27Å; Q158-Y161 PolarHBondContact O-N 2.86Å; Q158-Y161 VanDerWaalsContact O-N 3.16Å; T159-Y161 PolarHBondContact O-N 2.81Å; Y161-Q163 VanDerWaalsContact C-N 3.27Å; Y161-Q163 PolarHBondContact O-N 3.09Å; Y161-R164 WeakPolarHBondContact O-CB 3.29Å; Y161-R164 PolarHBondContact O-N 3.26Å; Y161-R164 VanDerWaalsContact O-N 3.09Å; Y161-V165 HydrophobicContact CD1-CG2 4.38Å; Y161-V165 HydrophobicContact CE1-CG2 4.07Å; Y161-V165 HydrophobicContact CE2-CG2 4.4Å; Y161-V165 WeakPolarHBondContact O-CG2 3.37Å; Y161-V165 PolarHBondContact O-N 3.41Å
162	V	97.9	Very high	96.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-41.8	175.8	172.5	0	0	0	0	110.9	F120 V131 T135 I137 Q158 T159 R164 V165 V166	F120-V162 HydrophobicContact CD2-CG2 4.46Å; F120-V162 HydrophobicContact CE2-CG2 4.14Å; F120-V162 HydrophobicContact CZ-CG2 4.22Å; V131-V162 HydrophobicContact CB-CG1 4.4Å; V131-V162 HydrophobicContact CG1-CG1 4.38Å; V131-V162 HydrophobicContact CG1-CG2 3.97Å; V131-V162 HydrophobicContact CG2-CG1 4.31Å; T135-V162 HydrophobicContact CG2-CB 3.98Å; T135-V162 HydrophobicContact CG2-CG1 3.69Å; T135-V162 HydrophobicContact CG2-CG2 4.44Å; I137-V162 HydrophobicContact CD1-CG1 4.15Å; Q158-V162 WeakPolarHBondContact O-CG2 3.34Å; Q158-V162 PolarHBondContact O-N 2.8Å; T159-V162 PolarHBondContact O-N 3.21Å; T159-V162 VanDerWaalsContact O-N 3.16Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 2.74Å; V162-V165 WeakPolarHBondContact O-CB 3.41Å; V162-V165 PolarHBondContact O-N 3.37Å; V162-V166 HydrophobicContact CG1-CG2 4.23Å; V162-V166 VanDerWaalsContact O-CG2 3.31Å; V162-V166 WeakPolarHBondContact O-CG2 3.42Å; V162-V166 PolarHBondContact O-N 3.19Å
163	Q	97.9	Very high	95.8	Very high	71 Å²	71	67.2 Å²	67.2	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-55.7	-43.2	175.9	-173.4	-179.3	38.6	0	0	112.5	E143 V146 T159 Y161 V166 S167	E143-Q163 HydrophobicContact CB-CG 3.95Å; E143-Q163 VanDerWaalsContact O-CG 3.32Å; E143-Q163 WeakPolarHBondContact O-CG 3.46Å; E143-Q163 PolarHBondContact O-NE2 3.37Å; V146-Q163 HydrophobicContact CB-CB 4.2Å; V146-Q163 HydrophobicContact CB-CG 4.23Å; V146-Q163 HydrophobicContact CG1-CB 4.16Å; V146-Q163 HydrophobicContact CG2-CB 4.38Å; V146-Q163 HydrophobicContact CG2-CG 4.32Å; T159-Q163 PolarHBondContact O-N 2.9Å; Y161-Q163 VanDerWaalsContact C-N 3.27Å; Y161-Q163 PolarHBondContact O-N 3.09Å; Q163-V166 PolarHBondContact O-N 3.07Å; Q163-S167 PolarHBondContact O-N 3.31Å
164	R	97.7	Very high	94.9	Very high	163 Å²	163	63.8 Å²	63.8	62%	0.615	30%	0.295	S	S	*	.	H	α-helix	trans	-66.6	-38.7	175.6	-71.8	-179.2	-73.7	-168.2	-0.8	112.3	D160 Y161 V162 S167 R168	D160-R164 PolarHBondContact O-N 2.68Å; D160-R164 PolarHBondContact O-NE 3.47Å; Y161-R164 WeakPolarHBondContact O-CB 3.29Å; Y161-R164 PolarHBondContact O-N 3.26Å; Y161-R164 VanDerWaalsContact O-N 3.09Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 2.74Å; R164-S167 PolarHBondContact O-N 3.38Å; R164-R168 WeakPolarHBondContact O-CB 3.38Å; R164-R168 PolarHBondContact O-N 2.9Å
165	V	97.2	Very high	93.8	Very high	15 Å²	15	61.1 Å²	61.1	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-40.9	175.4	178	0	0	0	0	111.1	Y115 L116 F120 Y161 V162 R168 F169	Y115-V165 HydrophobicContact CD1-CG1 4.24Å; Y115-V165 HydrophobicContact CE1-CG1 3.63Å; L116-V165 HydrophobicContact CD2-CB 4.36Å; L116-V165 HydrophobicContact CD2-CG1 3.65Å; F120-V165 HydrophobicContact CE2-CG1 4.46Å; F120-V165 HydrophobicContact CE2-CG2 4.45Å; Y161-V165 HydrophobicContact CD1-CG2 4.38Å; Y161-V165 HydrophobicContact CE1-CG2 4.07Å; Y161-V165 HydrophobicContact CE2-CG2 4.4Å; Y161-V165 WeakPolarHBondContact O-CG2 3.37Å; Y161-V165 PolarHBondContact O-N 3.41Å; V162-V165 WeakPolarHBondContact O-CB 3.41Å; V162-V165 PolarHBondContact O-N 3.37Å; V165-R168 PolarHBondContact O-N 3.25Å; V165-F169 WeakPolarHBondContact O-CB 3.28Å; V165-F169 PolarHBondContact O-N 3.46Å
166	V	97.6	Very high	92.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-45.2	174	174.6	0	0	0	0	111	L112 L116 I137 V146 V162 Q163 R168 F169 Y170	L112-V166 HydrophobicContact CD1-CG1 4.4Å; L112-V166 HydrophobicContact CD1-CG2 4.24Å; L112-V166 HydrophobicContact CD2-CG1 4.45Å; L116-V166 HydrophobicContact CD1-CG2 4.5Å; I137-V166 HydrophobicContact CD1-CG2 3.74Å; V146-V166 HydrophobicContact CG2-CG2 4.2Å; V162-V166 HydrophobicContact CG1-CG2 4.23Å; V162-V166 VanDerWaalsContact O-CG2 3.31Å; V162-V166 WeakPolarHBondContact O-CG2 3.42Å; V162-V166 PolarHBondContact O-N 3.19Å; Q163-V166 PolarHBondContact O-N 3.07Å; V166-R168 PolarHBondContact O-N 3.17Å; V166-F169 WeakPolarHBondContact O-CB 3.35Å; V166-F169 PolarHBondContact O-N 2.92Å; V166-Y170 HydrophobicContact CG1-CD2 4.18Å; V166-Y170 HydrophobicContact CG1-CE2 3.87Å; V166-Y170 VanDerWaalsContact O-CD2 3.24Å; V166-Y170 WeakPolarHBondContact O-CD2 3.49Å; V166-Y170 PolarHBondContact O-N 3.33Å
167	S	96.5	Very high	91.1	Very high	25 Å²	25	68.5 Å²	68.5	18%	0.175	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-46.5	176.9	-171.7	0	0	0	0	111.7	Q163 R164 F169 Y170 Q171	Q163-S167 PolarHBondContact O-N 3.31Å; R164-S167 PolarHBondContact O-N 3.38Å; S167-F169 VanDerWaalsContact C-N 3.34Å; S167-F169 PolarHBondContact O-N 2.83Å; S167-Y170 PolarHBondContact O-N 2.86Å; S167-Q171 WeakPolarHBondContact O-CG 3.34Å; S167-Q171 PolarHBondContact O-N 2.92Å; S167-Q171 VanDerWaalsContact O-N 3.08Å; S167-Q171 PolarHBondContact OG-NE2 3.21Å
168	R	95.3	Very high	89.4	Confident	141 Å²	141	74.7 Å²	74.7	53%	0.532	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-45.1	176.8	-179.7	-179.9	174.7	-176.5	-3.9	112.2	R164 V165 V166 Y170 Q171 E172	R164-R168 WeakPolarHBondContact O-CB 3.38Å; R164-R168 PolarHBondContact O-N 2.9Å; V165-R168 PolarHBondContact O-N 3.25Å; V166-R168 PolarHBondContact O-N 3.17Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 2.82Å; R168-Q171 PolarHBondContact O-N 3.2Å; R168-Q171 VanDerWaalsContact O-N 3.13Å; R168-E172 HydrophobicContact CG-CG 4.36Å; R168-E172 IonicContact CZ-OE1 2.94Å; R168-E172 VanDerWaalsContact CZ-OE1 3.28Å; R168-E172 IonicContact NE-OE1 2.73Å; R168-E172 PolarHBondContact NE-OE1 3.37Å; R168-E172 IonicContact NH2-OE1 2.85Å; R168-E172 PolarHBondContact NH2-OE1 3.15Å; R168-E172 PolarHBondContact O-N 2.88Å
169	F	95.1	Very high	87.7	Confident	5 Å²	5	76.9 Å²	76.9	2%	0.022	37%	0.365	C	S	.	.	H	α-helix	trans	-55.2	-42.2	178.2	167.9	-102.7	0	0	0	113.3	K111 L112 Y115 V165 V166 S167	K111-F169 HydrophobicContact CB-CZ 4.21Å; K111-F169 WeakPolarHBondContact O-CE2 3.25Å; K111-F169 VanDerWaalsContact O-CZ 3.3Å; K111-F169 WeakPolarHBondContact O-CZ 3.1Å; L112-F169 VanDerWaalsContact CA-CZ 3.46Å; L112-F169 HydrophobicContact CB-CE1 3.87Å; L112-F169 HydrophobicContact CB-CZ 4.04Å; L112-F169 HydrophobicContact CD1-CB 4.4Å; L112-F169 HydrophobicContact CD1-CD1 3.5Å; L112-F169 HydrophobicContact CD1-CE1 3.67Å; L112-F169 HydrophobicContact CD1-CG 3.93Å; L112-F169 HydrophobicContact CD1-CZ 4.21Å; L112-F169 HydrophobicContact CG-CE1 4.37Å; Y115-F169 HydrophobicContact CD1-CB 3.85Å; Y115-F169 AromaticContact CD1-CD2 3.62Å; Y115-F169 HydrophobicContact CD1-CD2 3.62Å; Y115-F169 HydrophobicContact CD1-CE2 4.42Å; Y115-F169 HydrophobicContact CD1-CG 4.06Å; Y115-F169 AromaticContact CD2-CD2 3.7Å; Y115-F169 HydrophobicContact CD2-CD2 3.7Å; Y115-F169 HydrophobicContact CD2-CE2 4.24Å; Y115-F169 HydrophobicContact CE1-CB 3.72Å; Y115-F169 HydrophobicContact CE1-CD2 4.14Å; Y115-F169 HydrophobicContact CE1-CG 4.39Å; Y115-F169 HydrophobicContact CE2-CD2 4.2Å; Y115-F169 HydrophobicContact CG-CB 4.44Å; Y115-F169 AromaticContact CG-CD2 3.35Å; Y115-F169 HydrophobicContact CG-CD2 3.35Å; Y115-F169 AromaticContact CG-CE2 3.85Å; Y115-F169 HydrophobicContact CG-CE2 3.85Å; Y115-F169 HydrophobicContact CG-CG 4.25Å; V165-F169 WeakPolarHBondContact O-CB 3.28Å; V165-F169 PolarHBondContact O-N 3.46Å; V166-F169 WeakPolarHBondContact O-CB 3.35Å; V166-F169 PolarHBondContact O-N 2.92Å; S167-F169 VanDerWaalsContact C-N 3.34Å; S167-F169 PolarHBondContact O-N 2.83Å
170	Y	94.6	Very high	85.5	Confident	27 Å²	27	79.7 Å²	79.7	11%	0.106	40%	0.396	C	S	.	.	H	α-helix	trans	-76	-32.5	177.1	-72.5	-71.2	0	0	0	113	Y141 K142 V166 S167 R168 R173 V174	Y141-Y170 WeakPolarHBondContact O-CE2 3.32Å; Y141-Y170 VanDerWaalsContact O-CZ 3.29Å; Y141-Y170 PolarHBondContact O-OH 2.8Å; K142-Y170 HydrophobicContact CD-CD1 4.44Å; K142-Y170 HydrophobicContact CD-CD2 3.97Å; K142-Y170 HydrophobicContact CD-CE1 4.22Å; K142-Y170 HydrophobicContact CD-CE2 3.76Å; K142-Y170 HydrophobicContact CD-CG 4.31Å; V166-Y170 HydrophobicContact CG1-CD2 4.18Å; V166-Y170 HydrophobicContact CG1-CE2 3.87Å; V166-Y170 VanDerWaalsContact O-CD2 3.24Å; V166-Y170 WeakPolarHBondContact O-CD2 3.49Å; V166-Y170 PolarHBondContact O-N 3.33Å; S167-Y170 PolarHBondContact O-N 2.86Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 2.82Å; Y170-R173 PolarHBondContact O-N 3.33Å; Y170-V174 WeakPolarHBondContact O-CG2 3.18Å; Y170-V174 PolarHBondContact O-N 3.2Å
171	Q	92.7	Very high	82.9	Confident	120 Å²	120	85.5 Å²	85.5	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-63.6	-46.8	176.2	-70.6	171.9	4.8	0	0	111.8	S167 R168 R173 V174 T175	S167-Q171 WeakPolarHBondContact O-CG 3.34Å; S167-Q171 PolarHBondContact O-N 2.92Å; S167-Q171 VanDerWaalsContact O-N 3.08Å; S167-Q171 PolarHBondContact OG-NE2 3.21Å; R168-Q171 PolarHBondContact O-N 3.2Å; R168-Q171 VanDerWaalsContact O-N 3.13Å; Q171-R173 PolarHBondContact O-N 3.35Å; Q171-V174 PolarHBondContact O-N 2.64Å; Q171-V174 VanDerWaalsContact O-N 3.13Å; Q171-T175 PolarHBondContact O-N 2.84Å; Q171-T175 VanDerWaalsContact O-N 3.12Å; Q171-T175 PolarHBondContact O-OG1 2.87Å
172	E	89.8	Confident	82.1	Confident	66 Å²	66	83.6 Å²	83.6	31%	0.308	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-35	178.9	-72.1	176.1	169.9	0	0	111.8	Y115 R168 T175 D176	Y115-E172 PolarHBondContact OH-OE2 2.77Å; R168-E172 HydrophobicContact CG-CG 4.36Å; R168-E172 IonicContact CZ-OE1 2.94Å; R168-E172 VanDerWaalsContact CZ-OE1 3.28Å; R168-E172 IonicContact NE-OE1 2.73Å; R168-E172 PolarHBondContact NE-OE1 3.37Å; R168-E172 IonicContact NH2-OE1 2.85Å; R168-E172 PolarHBondContact NH2-OE1 3.15Å; R168-E172 PolarHBondContact O-N 2.88Å; E172-T175 VanDerWaalsContact C-OG1 3.29Å; E172-T175 WeakPolarHBondContact CA-OG1 3.35Å; E172-T175 PolarHBondContact O-N 3.35Å; E172-T175 PolarHBondContact O-OG1 3.34Å; E172-D176 PolarHBondContact O-N 3.41Å
173	R	82.4	Confident	81.3	Confident	79 Å²	79	88 Å²	88	30%	0.298	45%	0.447	S	S	.	.	H	α-helix	trans	-74.2	-32.4	176	-73.4	-172.8	172	162.4	6.8	114.8	Y170 Q171 T175 N177	Y170-R173 PolarHBondContact O-N 3.33Å; Q171-R173 PolarHBondContact O-N 3.35Å; R173-T175 VanDerWaalsContact C-N 3.29Å; R173-N177 WeakPolarHBondContact O-CB 3.22Å; R173-N177 PolarHBondContact O-N 3.11Å; R173-N177 VanDerWaalsContact O-N 3.15Å
174	V	78.2	Confident	80.4	Confident	77 Å²	77	88.9 Å²	88.9	47%	0.467	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-36.1	174.3	173.1	0	0	0	0	110	Y170 Q171 R178	Y170-V174 WeakPolarHBondContact O-CG2 3.18Å; Y170-V174 PolarHBondContact O-N 3.2Å; Q171-V174 PolarHBondContact O-N 2.64Å; Q171-V174 VanDerWaalsContact O-N 3.13Å; V174-R178 WeakPolarHBondContact O-CG 3.34Å; V174-R178 PolarHBondContact O-N 3.42Å
175	T	72.6	Confident	79.4	Confident	77 Å²	77	84.6 Å²	84.6	47%	0.472	44%	0.443	S	S	.	.	H	α-helix	trans	-70.6	-40.9	176.3	46.6	0	0	0	0	112.7	Q171 E172 R173 R178 S179	Q171-T175 PolarHBondContact O-N 2.84Å; Q171-T175 VanDerWaalsContact O-N 3.12Å; Q171-T175 PolarHBondContact O-OG1 2.87Å; E172-T175 VanDerWaalsContact C-OG1 3.29Å; E172-T175 WeakPolarHBondContact CA-OG1 3.35Å; E172-T175 PolarHBondContact O-N 3.35Å; E172-T175 PolarHBondContact O-OG1 3.34Å; R173-T175 VanDerWaalsContact C-N 3.29Å; T175-R178 PolarHBondContact O-N 2.76Å; T175-S179 PolarHBondContact O-N 2.77Å; T175-S179 PolarHBondContact O-OG 2.54Å
176	D	72.5	Confident	78.3	Confident	113 Å²	113	88.9 Å²	88.9	60%	0.604	47%	0.465	S	S	*	.	H	α-helix	trans	-64.4	-43.2	177.7	-73.3	-13.2	0	0	0	111.8	E172 R178 S179 G180	E172-D176 PolarHBondContact O-N 3.41Å; D176-R178 PolarHBondContact O-N 3.36Å; D176-S179 PolarHBondContact O-N 2.8Å; D176-S179 VanDerWaalsContact O-N 3.09Å; D176-G180 PolarHBondContact O-N 2.83Å
177	N	66.8	Low	77	Confident	126 Å²	126	94.9 Å²	94.9	67%	0.674	50%	0.496	S	S	*	.	H	α-helix	trans	-63.6	-24	177.1	-77.2	-14.9	0	0	0	113.7	R173	R173-N177 WeakPolarHBondContact O-CB 3.22Å; R173-N177 PolarHBondContact O-N 3.11Å; R173-N177 VanDerWaalsContact O-N 3.15Å
178	R	60.7	Low	75.6	Confident	192 Å²	192	99.9 Å²	99.9	73%	0.725	52%	0.519	S	S	*	.	H	α-helix	trans	-82.9	-21.3	175.4	-73.7	177.8	-178	178.8	1.5	113.5	V174 T175 D176	V174-R178 WeakPolarHBondContact O-CG 3.34Å; V174-R178 PolarHBondContact O-N 3.42Å; T175-R178 PolarHBondContact O-N 2.76Å; D176-R178 PolarHBondContact O-N 3.36Å
179	S	61.4	Low	74.1	Confident	100 Å²	100	96.7 Å²	96.7	70%	0.699	52%	0.518	S	S	*	.	H	α-helix	trans	-89.7	-14.8	-177.8	-48	0	0	0	0	112.2	T175 D176	T175-S179 PolarHBondContact O-N 2.77Å; T175-S179 PolarHBondContact O-OG 2.54Å; D176-S179 PolarHBondContact O-N 2.8Å; D176-S179 VanDerWaalsContact O-N 3.09Å
180	G	53.5	Low	72.3	Confident	67 Å²	67	104.3 Å²	104.3	69%	0.691	56%	0.56	S	S	*	*			trans	-95.2	1.2	179.9	0	0	0	0	0	116.1	D176	D176-G180 PolarHBondContact O-N 2.83Å
181	N	42.7	Very low	70.3	Confident	208 Å²	208	111.4 Å²	111.4	100%	1.112	60%	0.601	S	S	*	*			trans	-114.1	0	172.1	-82.9	-2	0	0	0	110

Retrieved 181 of 181 residues in 386.2 ms (Link to these results)

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