A0A077ZEE3_TRITR Loading...

Pyridoxine-5'-phosphate oxidase

Catalyzes the oxidation of either pyridoxine 5'-phosphate (PNP) or pyridoxamine 5'-phosphate (PMP) into pyridoxal 5'-phosphate (PLP).

AlphaFold DB , UniProt , Accession A0A077ZEE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.3	Low	69	Low	252 Å²	252	109.4 Å²	109.4	100%	1.241	56%	0.555	S	S	*	*				0	131.8	0	-83.6	-179.7	-101.3	0	0	109
2	R	65.1	Low	71	Confident	121 Å²	121	101.5 Å²	101.5	46%	0.457	52%	0.515	S	S	.	.			trans	-105.6	127.6	177.4	-173.8	173.8	172.2	158.9	-7.9	108.7	H195	R2-H195 PolarHBondContact NH2-CE1 2.9Å; R2-H195 PolarHBondContact NH2-NE2 2.74Å
3	K	70	Confident	72.7	Confident	147 Å²	147	98.1 Å²	98.1	64%	0.639	50%	0.499	S	S	*	.			trans	-65.6	139.6	173.5	-169.5	-176.9	175.6	-174	0	108.9	Y5	K3-Y5 PolarHBondContact O-N 3.05Å
4	P	69.7	Low	74.1	Confident	104 Å²	104	96.1 Å²	96.1	68%	0.675	49%	0.486	S	S	*	.			trans	-55.6	138.1	167.5	-20.3	30.8	0	0	0	110.2
5	Y	76.4	Confident	75.1	Confident	47 Å²	47	98.1 Å²	98.1	18%	0.184	50%	0.499	C	S	.	.			trans	-90.4	-174.9	171.9	-69	-28.6	0	0	0	110.2	K3 N103 W187 S191	K3-Y5 PolarHBondContact O-N 3.05Å; Y5-N103 HydrophobicContact CD1-CB 3.67Å; Y5-N103 WeakPolarHBondContact CD1-OD1 3.39Å; Y5-N103 HydrophobicContact CE1-CB 3.85Å; Y5-N103 WeakPolarHBondContact CE1-OD1 3.44Å; Y5-N103 HydrophobicContact CG-CB 4.15Å; Y5-W187 AromaticContact CE2-CH2 3.96Å; Y5-W187 HydrophobicContact CE2-CH2 3.96Å; Y5-S191 VanDerWaalsContact C-OG 3.26Å; Y5-S191 WeakPolarHBondContact CA-OG 3.2Å; Y5-S191 PolarHBondContact N-OG 2.99Å; Y5-S191 PolarHBondContact O-OG 3.16Å
6	G	63	Low	75.9	Confident	19 Å²	19	99.1 Å²	99.1	20%	0.196	50%	0.501	C	S	.	.	B	Isolated β-bridge	trans	-56.9	140	169.6	0	0	0	0	0	110.6	Q190 S191	G6-Q190 PolarHBondContact O-OE1 2.68Å; G6-S191 PolarHBondContact O-N 3.16Å; G6-S191 PolarHBondContact O-OG 3.49Å
7	N	61.2	Low	76.8	Confident	112 Å²	112	94.3 Å²	94.3	60%	0.599	48%	0.478	S	S	*	.			trans	-105.1	93.3	176.3	-72.9	-10.3	0	0	0	108.8	T9 S191	N7-T9 PolarHBondContact O-N 3.08Å; N7-S191 WeakPolarHBondContact OD1-CB 3.23Å; N7-S191 PolarHBondContact OD1-OG 2.77Å
8	K	63.3	Low	77.5	Confident	157 Å²	157	98.1 Å²	98.1	68%	0.683	49%	0.491	S	S	*	.	S	Bend	trans	59.1	-9.1	172.6	-60	-170.2	177.7	-174.6	0	117.8	T10 I11	K8-T10 VanDerWaalsContact C-N 3.31Å; K8-I11 HydrophobicContact CB-CD1 3.95Å; K8-I11 HydrophobicContact CB-CG1 4.42Å; K8-I11 HydrophobicContact CG-CD1 4.22Å; K8-I11 WeakPolarHBondContact O-CD1 3.37Å; K8-I11 WeakPolarHBondContact O-CG1 3.33Å
9	T	67.1	Low	78.3	Confident	126 Å²	126	94.5 Å²	94.5	77%	0.773	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.7	178.1	47.4	0	0	0	0	113.5	N7	N7-T9 PolarHBondContact O-N 3.08Å
10	T	79.7	Confident	78.9	Confident	51 Å²	51	96.2 Å²	96.2	31%	0.313	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	25.5	-176	47.7	0	0	0	0	112	K8 L12 Q188	K8-T10 VanDerWaalsContact C-N 3.31Å; T10-L12 PolarHBondContact O-N 3.28Å; T10-Q188 WeakPolarHBondContact O-CG 3.21Å
11	I	88.6	Confident	79.6	Confident	67 Å²	67	94.2 Å²	94.2	34%	0.344	47%	0.469	S	S	.	.			trans	-59.4	128.8	178.9	-59.1	171.8	0	0	0	109	K8 L13 D196	K8-I11 HydrophobicContact CB-CD1 3.95Å; K8-I11 HydrophobicContact CB-CG1 4.42Å; K8-I11 HydrophobicContact CG-CD1 4.22Å; K8-I11 WeakPolarHBondContact O-CD1 3.37Å; K8-I11 WeakPolarHBondContact O-CG1 3.33Å; I11-L13 HydrophobicContact CG2-CD2 3.55Å; I11-L13 HydrophobicContact CG2-CG 3.74Å; I11-D196 WeakPolarHBondContact CA-OD2 3.35Å
12	L	92.7	Very high	81.6	Confident	15 Å²	15	82.3 Å²	82.3	8%	0.079	41%	0.41	C	S	.	.			trans	-93	103.8	175.7	172.6	66.1	0	0	0	108.9	T10 M25 W29 F186 Q188 D196 L198 R223	T10-L12 PolarHBondContact O-N 3.28Å; L12-M25 HydrophobicContact CD1-CE 3.22Å; L12-W29 HydrophobicContact CD1-CZ2 4.29Å; L12-W29 HydrophobicContact CD2-CH2 4.08Å; L12-W29 HydrophobicContact CD2-CZ2 3.83Å; L12-F186 HydrophobicContact CD2-CB 3.88Å; L12-Q188 HydrophobicContact CB-CB 4.17Å; L12-D196 HydrophobicContact CB-CB 3.71Å; L12-D196 HydrophobicContact CG-CB 4.48Å; L12-D196 PolarHBondContact N-OD2 3.14Å; L12-L198 HydrophobicContact CD1-CD1 3.9Å; L12-L198 HydrophobicContact CD2-CB 4.11Å; L12-L198 HydrophobicContact CD2-CD1 3.98Å; L12-L198 HydrophobicContact CD2-CG 3.82Å; L12-L198 HydrophobicContact CG-CD1 3.6Å; L12-L198 HydrophobicContact CG-CG 3.85Å; L12-R223 PolarHBondContact O-NH2 3.44Å
13	L	92.6	Very high	83.1	Confident	57 Å²	57	76.9 Å²	76.9	30%	0.298	39%	0.39	S	S	.	.			trans	-104.9	150	179.3	-60.9	176.7	0	0	0	112.8	I11 D15 Q16 V17	I11-L13 HydrophobicContact CG2-CD2 3.55Å; I11-L13 HydrophobicContact CG2-CG 3.74Å; L13-D15 VanDerWaalsContact C-N 3.35Å; L13-D15 VanDerWaalsContact CB-OD1 3.29Å; L13-D15 WeakPolarHBondContact CB-OD1 3.22Å; L13-D15 PolarHBondContact O-N 2.69Å; L13-Q16 HydrophobicContact CB-CB 4.12Å; L13-Q16 HydrophobicContact CB-CG 4.12Å; L13-Q16 CarbonylContact O-C 3.6Å; L13-Q16 PolarHBondContact O-N 3.4Å; L13-Q16 VanDerWaalsContact O-N 3.14Å; L13-V17 PolarHBondContact O-N 2.82Å
14	E	92.3	Very high	84.3	Confident	70 Å²	70	70.9 Å²	70.9	33%	0.327	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.4	-175.6	-66.2	86.1	149.6	0	0	112.8	Q16 V17 L198 R223	E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-V17 WeakPolarHBondContact O-CG2 3.37Å; E14-L198 HydrophobicContact CG-CD2 3.71Å; E14-R223 WeakPolarHBondContact OE1-CB 3.29Å; E14-R223 WeakPolarHBondContact OE1-CD 3.5Å; E14-R223 IonicContact OE1-CZ 3Å; E14-R223 IonicContact OE1-NE 2.68Å; E14-R223 PolarHBondContact OE1-NE 3.28Å; E14-R223 IonicContact OE1-NH2 3.05Å; E14-R223 IonicContact OE2-CZ 3.52Å; E14-R223 IonicContact OE2-NE 2.62Å; E14-R223 PolarHBondContact OE2-NE 3.14Å; E14-R223 IonicContact OE2-NH2 2.76Å; E14-R223 PolarHBondContact OE2-NH2 3.24Å
15	D	89.2	Confident	85.5	Confident	126 Å²	126	66.1 Å²	66.1	67%	0.674	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.8	177.1	64.1	-20.7	0	0	0	112.7	L13	L13-D15 VanDerWaalsContact C-N 3.35Å; L13-D15 VanDerWaalsContact CB-OD1 3.29Å; L13-D15 WeakPolarHBondContact CB-OD1 3.22Å; L13-D15 PolarHBondContact O-N 2.69Å
16	Q	88	Confident	86.6	Confident	115 Å²	115	63.9 Å²	63.9	54%	0.537	33%	0.33	S	S	.	.	S	Bend	trans	-104.4	5.7	-179.4	-64.2	-179.5	-5.4	0	0	113.8	L13 E14 K18	L13-Q16 HydrophobicContact CB-CB 4.12Å; L13-Q16 HydrophobicContact CB-CG 4.12Å; L13-Q16 CarbonylContact O-C 3.6Å; L13-Q16 PolarHBondContact O-N 3.4Å; L13-Q16 VanDerWaalsContact O-N 3.14Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; Q16-K18 PolarHBondContact O-N 3Å
17	V	90.9	Very high	88.2	Confident	17 Å²	17	65 Å²	65	10%	0.103	33%	0.331	C	S	.	.			trans	-58	136.3	174.4	-63	0	0	0	0	110.7	L13 E14 S19 K20 M25 L198 F200 I221	L13-V17 PolarHBondContact O-N 2.82Å; E14-V17 WeakPolarHBondContact O-CG2 3.37Å; V17-S19 VanDerWaalsContact CG2-O 3.31Å; V17-S19 WeakPolarHBondContact CG2-O 3.1Å; V17-S19 PolarHBondContact O-N 3.48Å; V17-K20 HydrophobicContact CG2-CD 4.28Å; V17-M25 HydrophobicContact CB-CE 4.49Å; V17-M25 HydrophobicContact CB-SD 4.2Å; V17-M25 HydrophobicContact CG1-CE 4.33Å; V17-L198 HydrophobicContact CG1-CD1 3.62Å; V17-F200 HydrophobicContact CG1-CZ 4.26Å; V17-I221 HydrophobicContact CG1-CD1 4.47Å; V17-I221 HydrophobicContact CG2-CD1 3.9Å
18	K	89.9	Confident	89.8	Confident	163 Å²	163	61.3 Å²	61.3	71%	0.709	32%	0.315	S	S	*	.	S	Bend	trans	-73.1	-12.1	-179.6	-61.5	-60.4	-173.6	-173.7	0	113.3	Q16 M25	Q16-K18 PolarHBondContact O-N 3Å; K18-M25 HydrophobicContact CB-SD 4.21Å
19	S	92.4	Very high	91.3	Very high	29 Å²	29	54.4 Å²	54.4	20%	0.203	28%	0.284	C	S	.	.			trans	-154	145.6	-178.2	175.7	0	0	0	0	109.8	V17 E21	V17-S19 VanDerWaalsContact CG2-O 3.31Å; V17-S19 WeakPolarHBondContact CG2-O 3.1Å; V17-S19 PolarHBondContact O-N 3.48Å; S19-E21 VanDerWaalsContact C-N 3.27Å; S19-E21 VanDerWaalsContact CB-O 3.25Å; S19-E21 WeakPolarHBondContact CB-O 3.22Å; S19-E21 PolarHBondContact OG-N 3.29Å; S19-E21 PolarHBondContact OG-O 3Å
20	K	91	Very high	92.6	Very high	128 Å²	128	49 Å²	49	56%	0.557	25%	0.25	S	C	*	.	S	Bend	trans	-79.7	-13.1	168.3	-62.1	-58.6	-176.6	-174.4	0	112.7	V17 I221	V17-K20 HydrophobicContact CG2-CD 4.28Å; K20-I221 HydrophobicContact CD-CD1 4.2Å
21	E	93.6	Very high	93.3	Very high	56 Å²	56	52.2 Å²	52.2	26%	0.262	26%	0.26	S	S	.	.	S	Bend	trans	-105.9	142.9	172.5	-64	-176.5	171.8	0	0	111.5	S19 M23 G24 M25 Q70	S19-E21 VanDerWaalsContact C-N 3.27Å; S19-E21 VanDerWaalsContact CB-O 3.25Å; S19-E21 WeakPolarHBondContact CB-O 3.22Å; S19-E21 PolarHBondContact OG-N 3.29Å; S19-E21 PolarHBondContact OG-O 3Å; E21-M23 VanDerWaalsContact C-N 3.3Å; E21-M23 PolarHBondContact O-N 2.68Å; E21-G24 PolarHBondContact O-N 3.28Å; E21-M25 PolarHBondContact O-N 3.46Å; E21-Q70 PolarHBondContact OE2-OE1 3.2Å
22	P	96.4	Very high	93.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-32.8	-175.1	23.5	-33.4	0	0	0	113.5	G24 M25 F26 V184 F186 F200 W219	P22-G24 PolarHBondContact O-N 3.14Å; P22-M25 WeakPolarHBondContact O-CB 3.37Å; P22-M25 PolarHBondContact O-N 3.44Å; P22-M25 VanDerWaalsContact O-N 3.15Å; P22-F26 PolarHBondContact O-N 3.19Å; P22-V184 HydrophobicContact CB-CB 3.68Å; P22-V184 HydrophobicContact CB-CG1 4.16Å; P22-V184 HydrophobicContact CB-CG2 3.67Å; P22-V184 HydrophobicContact CG-CB 4.47Å; P22-V184 HydrophobicContact CG-CG2 4.04Å; P22-F186 HydrophobicContact CB-CE2 4.29Å; P22-F186 WeakPolarHBondContact O-CZ 3.12Å; P22-F200 HydrophobicContact CB-CB 3.78Å; P22-F200 HydrophobicContact CB-CD1 4.06Å; P22-F200 HydrophobicContact CB-CD2 4.37Å; P22-F200 HydrophobicContact CB-CG 3.83Å; P22-F200 HydrophobicContact CG-CB 4.11Å; P22-F200 HydrophobicContact CG-CD1 4.47Å; P22-F200 HydrophobicContact CG-CG 4.46Å; P22-W219 HydrophobicContact CG-CD2 3.79Å; P22-W219 HydrophobicContact CG-CE3 3.88Å; P22-W219 HydrophobicContact CG-CG 4.43Å; P22-W219 HydrophobicContact CG-CH2 3.95Å; P22-W219 HydrophobicContact CG-CZ2 3.84Å; P22-W219 HydrophobicContact CG-CZ3 3.96Å
23	M	96.8	Very high	93.3	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-34.2	-178	-63.2	-47.7	-63.5	0	0	112.5	E21 M25 F26 D27 Y68 S69 F73 P181	E21-M23 VanDerWaalsContact C-N 3.3Å; E21-M23 PolarHBondContact O-N 2.68Å; M23-M25 VanDerWaalsContact C-N 3.32Å; M23-F26 PolarHBondContact O-N 3.04Å; M23-D27 WeakPolarHBondContact O-CB 3.37Å; M23-D27 PolarHBondContact O-N 2.94Å; M23-Y68 HydrophobicContact CE-CD2 4.4Å; M23-S69 WeakPolarHBondContact CE-O 3.47Å; M23-F73 HydrophobicContact CE-CD1 4.33Å; M23-F73 HydrophobicContact CE-CD2 4.24Å; M23-F73 HydrophobicContact CE-CE1 3.83Å; M23-F73 HydrophobicContact CE-CE2 3.71Å; M23-F73 HydrophobicContact CE-CZ 3.49Å; M23-F73 VanDerWaalsContact CE-CZ 3.49Å; M23-F73 HydrophobicContact SD-CD2 4.41Å; M23-F73 HydrophobicContact SD-CE1 4.5Å; M23-F73 HydrophobicContact SD-CE2 3.52Å; M23-F73 VanDerWaalsContact SD-CE2 3.52Å; M23-F73 HydrophobicContact SD-CZ 3.58Å; M23-F73 VanDerWaalsContact SD-CZ 3.58Å; M23-P181 HydrophobicContact SD-CG 4.11Å
24	G	95.9	Very high	93.2	Very high	20 Å²	20	55.8 Å²	55.8	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-33.9	172	0	0	0	0	0	112.3	E21 P22 S28	E21-G24 PolarHBondContact O-N 3.28Å; P22-G24 PolarHBondContact O-N 3.14Å; G24-S28 PolarHBondContact O-N 3.42Å; G24-S28 VanDerWaalsContact O-N 3.14Å
25	M	95.9	Very high	93	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-43.8	174	-165.6	67.8	173.9	0	0	111.4	L12 V17 K18 E21 P22 M23 S28 W29 F186 F200	L12-M25 HydrophobicContact CD1-CE 3.22Å; V17-M25 HydrophobicContact CB-CE 4.49Å; V17-M25 HydrophobicContact CB-SD 4.2Å; V17-M25 HydrophobicContact CG1-CE 4.33Å; K18-M25 HydrophobicContact CB-SD 4.21Å; E21-M25 PolarHBondContact O-N 3.46Å; P22-M25 WeakPolarHBondContact O-CB 3.37Å; P22-M25 PolarHBondContact O-N 3.44Å; P22-M25 VanDerWaalsContact O-N 3.15Å; M23-M25 VanDerWaalsContact C-N 3.32Å; M25-S28 PolarHBondContact O-N 2.74Å; M25-W29 PolarHBondContact O-N 2.88Å; M25-W29 VanDerWaalsContact O-N 3.1Å; M25-F186 HydrophobicContact CB-CE1 3.99Å; M25-F186 HydrophobicContact CB-CE2 3.82Å; M25-F186 HydrophobicContact CB-CZ 3.53Å; M25-F186 HydrophobicContact CG-CD1 3.9Å; M25-F186 HydrophobicContact CG-CD2 4.04Å; M25-F186 HydrophobicContact CG-CE1 3.67Å; M25-F186 HydrophobicContact CG-CE2 3.81Å; M25-F186 HydrophobicContact CG-CG 4.09Å; M25-F186 HydrophobicContact CG-CZ 3.64Å; M25-F200 HydrophobicContact CB-CZ 4.28Å; M25-F200 HydrophobicContact CG-CE2 4.39Å; M25-F200 HydrophobicContact CG-CZ 4.33Å
26	F	97.6	Very high	92.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-47.8	174.4	179.5	-92.5	0	0	0	111.4	P22 M23 S28 W29 F30 L65 Y68 F73 F97 W99 V106 F186	P22-F26 PolarHBondContact O-N 3.19Å; M23-F26 PolarHBondContact O-N 3.04Å; F26-S28 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 2.68Å; F26-W29 PolarHBondContact O-N 2.87Å; F26-F30 HydrophobicContact CD1-CB 4.33Å; F26-F30 HydrophobicContact CE1-CB 3.97Å; F26-F30 HydrophobicContact CE1-CD2 4.01Å; F26-F30 AromaticContact CE1-CG 3.99Å; F26-F30 HydrophobicContact CE1-CG 3.99Å; F26-F30 HydrophobicContact CZ-CB 4.25Å; F26-F30 AromaticContact CZ-CD2 3.69Å; F26-F30 HydrophobicContact CZ-CD2 3.69Å; F26-F30 HydrophobicContact CZ-CE2 4.31Å; F26-F30 HydrophobicContact CZ-CG 4.13Å; F26-F30 WeakPolarHBondContact O-CB 3.29Å; F26-F30 PolarHBondContact O-N 3.15Å; F26-L65 HydrophobicContact CE1-CD2 3.96Å; F26-L65 HydrophobicContact CZ-CD2 3.76Å; F26-Y68 AromaticContact CD1-CD2 3.94Å; F26-Y68 HydrophobicContact CD1-CD2 3.94Å; F26-Y68 HydrophobicContact CD1-CE2 4.13Å; F26-Y68 HydrophobicContact CD1-CG 4.22Å; F26-Y68 AromaticContact CE1-CD1 3.99Å; F26-Y68 HydrophobicContact CE1-CD1 3.99Å; F26-Y68 HydrophobicContact CE1-CD2 4.08Å; F26-Y68 HydrophobicContact CE1-CE1 4.22Å; F26-Y68 HydrophobicContact CE1-CE2 4.31Å; F26-Y68 AromaticContact CE1-CG 3.92Å; F26-Y68 HydrophobicContact CE1-CG 3.92Å; F26-F73 HydrophobicContact CB-CZ 4.48Å; F26-F73 AromaticContact CD1-CE1 3.71Å; F26-F73 HydrophobicContact CD1-CE1 3.71Å; F26-F73 HydrophobicContact CD1-CZ 4.36Å; F26-F73 AromaticContact CD2-CE1 3.66Å; F26-F73 HydrophobicContact CD2-CE1 3.66Å; F26-F73 HydrophobicContact CD2-CZ 4.03Å; F26-F73 HydrophobicContact CE1-CD1 4.3Å; F26-F73 AromaticContact CE1-CE1 3.68Å; F26-F73 HydrophobicContact CE1-CE1 3.68Å; F26-F73 AromaticContact CE2-CE1 3.61Å; F26-F73 HydrophobicContact CE2-CE1 3.61Å; F26-F73 HydrophobicContact CE2-CZ 4.39Å; F26-F73 AromaticContact CG-CE1 3.71Å; F26-F73 HydrophobicContact CG-CE1 3.71Å; F26-F73 HydrophobicContact CG-CZ 4.02Å; F26-F73 HydrophobicContact CZ-CD1 4.22Å; F26-F73 AromaticContact CZ-CE1 3.63Å; F26-F73 HydrophobicContact CZ-CE1 3.63Å; F26-F97 HydrophobicContact CE2-CD1 4.31Å; F26-F97 AromaticContact CE2-CD2 3.92Å; F26-F97 HydrophobicContact CE2-CD2 3.92Å; F26-F97 HydrophobicContact CE2-CE1 4.14Å; F26-F97 AromaticContact CE2-CE2 3.76Å; F26-F97 HydrophobicContact CE2-CE2 3.76Å; F26-F97 HydrophobicContact CE2-CG 4.2Å; F26-F97 AromaticContact CE2-CZ 3.87Å; F26-F97 HydrophobicContact CE2-CZ 3.87Å; F26-F97 HydrophobicContact CZ-CD1 4.46Å; F26-F97 AromaticContact CZ-CE1 3.97Å; F26-F97 HydrophobicContact CZ-CE1 3.97Å; F26-F97 HydrophobicContact CZ-CE2 4.2Å; F26-F97 AromaticContact CZ-CZ 3.83Å; F26-F97 HydrophobicContact CZ-CZ 3.83Å; F26-W99 HydrophobicContact CD2-CH2 4.4Å; F26-W99 AromaticContact CE2-CH2 3.82Å; F26-W99 HydrophobicContact CE2-CH2 3.82Å; F26-W99 HydrophobicContact CE2-CZ2 4.31Å; F26-W99 HydrophobicContact CZ-CH2 4.48Å; F26-V106 HydrophobicContact CD2-CG1 4.15Å; F26-F186 HydrophobicContact CB-CE1 4.31Å; F26-F186 HydrophobicContact CB-CZ 4.08Å
27	D	97.1	Very high	92.2	Very high	42 Å²	42	49.9 Å²	49.9	23%	0.225	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-43.6	178.3	-178	65.3	0	0	0	112	M23 K31 Y68	M23-D27 WeakPolarHBondContact O-CB 3.37Å; M23-D27 PolarHBondContact O-N 2.94Å; D27-K31 WeakPolarHBondContact O-CB 3.49Å; D27-K31 VanDerWaalsContact O-CG 3.3Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 2.85Å; D27-K31 WeakPolarHBondContact OD1-CE 3.33Å; D27-K31 IonicContact OD1-NZ 2.72Å; D27-K31 PolarHBondContact OD1-NZ 3.48Å; D27-K31 VanDerWaalsContact OD2-CE 3.23Å; D27-K31 WeakPolarHBondContact OD2-CE 3.44Å; D27-K31 IonicContact OD2-NZ 3.5Å; D27-K31 PolarHBondContact OD2-NZ 3.09Å; D27-Y68 HydrophobicContact CB-CE2 3.97Å; D27-Y68 WeakPolarHBondContact OD1-CE2 3.23Å; D27-Y68 PolarHBondContact OD1-OH 3.22Å
28	S	95.2	Very high	91.3	Very high	36 Å²	36	54 Å²	54	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-50.6	175.9	-174.9	0	0	0	0	112	G24 M25 F26 E32	G24-S28 PolarHBondContact O-N 3.42Å; G24-S28 VanDerWaalsContact O-N 3.14Å; M25-S28 PolarHBondContact O-N 2.74Å; F26-S28 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 2.68Å; S28-E32 PolarHBondContact O-N 3.28Å; S28-E32 VanDerWaalsContact O-N 3.1Å
29	W	94.9	Very high	89.8	Confident	11 Å²	11	51.9 Å²	51.9	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-42	-178.8	-82.3	24.9	0	0	0	111.9	L12 M25 F26 K31 E32 L33 W99 R104 V106 F186 W187 Q188	L12-W29 HydrophobicContact CD1-CZ2 4.29Å; L12-W29 HydrophobicContact CD2-CH2 4.08Å; L12-W29 HydrophobicContact CD2-CZ2 3.83Å; M25-W29 PolarHBondContact O-N 2.88Å; M25-W29 VanDerWaalsContact O-N 3.1Å; F26-W29 PolarHBondContact O-N 2.87Å; W29-K31 PolarHBondContact O-N 2.93Å; W29-E32 PolarHBondContact O-N 3.14Å; W29-L33 WeakPolarHBondContact O-CB 3.35Å; W29-L33 WeakPolarHBondContact O-CD1 3.31Å; W29-L33 WeakPolarHBondContact O-CG 3.5Å; W29-L33 PolarHBondContact O-N 3.3Å; W29-W99 HydrophobicContact CB-CZ3 4.47Å; W29-W99 HydrophobicContact CE3-CZ3 4.16Å; W29-R104 HydrophobicContact CE3-CB 3.99Å; W29-R104 HydrophobicContact CE3-CG 3.95Å; W29-R104 HydrophobicContact CH2-CB 4.35Å; W29-R104 HydrophobicContact CH2-CG 3.81Å; W29-R104 HydrophobicContact CZ2-CG 4.39Å; W29-R104 HydrophobicContact CZ3-CB 3.66Å; W29-R104 HydrophobicContact CZ3-CG 3.57Å; W29-V106 HydrophobicContact CE3-CG2 3.76Å; W29-V106 HydrophobicContact CZ3-CG2 4.08Å; W29-F186 AromaticContact CD2-CD1 3.84Å; W29-F186 HydrophobicContact CD2-CD1 3.84Å; W29-F186 HydrophobicContact CD2-CE1 4.38Å; W29-F186 AromaticContact CE3-CD1 3.67Å; W29-F186 HydrophobicContact CE3-CD1 3.67Å; W29-F186 HydrophobicContact CE3-CE1 4.36Å; W29-F186 HydrophobicContact CG-CD1 4.48Å; W29-F186 HydrophobicContact CH2-CB 3.92Å; W29-F186 HydrophobicContact CH2-CD1 4.25Å; W29-F186 HydrophobicContact CZ2-CB 4.33Å; W29-F186 HydrophobicContact CZ2-CD1 4.4Å; W29-F186 HydrophobicContact CZ3-CB 4.14Å; W29-F186 AromaticContact CZ3-CD1 3.88Å; W29-F186 HydrophobicContact CZ3-CD1 3.88Å; W29-W187 WeakPolarHBondContact CH2-O 3.4Å; W29-Q188 HydrophobicContact CH2-CB 4.09Å; W29-Q188 HydrophobicContact CZ2-CB 4.46Å
30	F	94.9	Very high	88.2	Confident	12 Å²	12	53.9 Å²	53.9	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-40.3	-179.7	-166.5	-101.6	0	0	0	111.8	F26 R34 V44 N45 L65 Y68 W99	F26-F30 HydrophobicContact CD1-CB 4.33Å; F26-F30 HydrophobicContact CE1-CB 3.97Å; F26-F30 HydrophobicContact CE1-CD2 4.01Å; F26-F30 AromaticContact CE1-CG 3.99Å; F26-F30 HydrophobicContact CE1-CG 3.99Å; F26-F30 HydrophobicContact CZ-CB 4.25Å; F26-F30 AromaticContact CZ-CD2 3.69Å; F26-F30 HydrophobicContact CZ-CD2 3.69Å; F26-F30 HydrophobicContact CZ-CE2 4.31Å; F26-F30 HydrophobicContact CZ-CG 4.13Å; F26-F30 WeakPolarHBondContact O-CB 3.29Å; F26-F30 PolarHBondContact O-N 3.15Å; F30-R34 HydrophobicContact CD1-CG 4.37Å; F30-R34 HydrophobicContact CE1-CG 4.19Å; F30-R34 WeakPolarHBondContact O-CB 3.46Å; F30-R34 WeakPolarHBondContact O-CG 3.35Å; F30-R34 PolarHBondContact O-N 2.9Å; F30-V44 HydrophobicContact CE2-CB 4.49Å; F30-V44 HydrophobicContact CE2-CG2 4.24Å; F30-V44 WeakPolarHBondContact CE2-O 3.35Å; F30-V44 HydrophobicContact CZ-CG2 4.14Å; F30-N45 HydrophobicContact CE2-CB 4.29Å; F30-N45 HydrophobicContact CZ-CB 3.96Å; F30-L65 HydrophobicContact CE2-CD2 4.22Å; F30-L65 HydrophobicContact CZ-CD2 4.34Å; F30-Y68 AromaticContact CD1-CE1 3.75Å; F30-Y68 HydrophobicContact CD1-CE1 3.75Å; F30-Y68 AromaticContact CE1-CE1 3.91Å; F30-Y68 HydrophobicContact CE1-CE1 3.91Å; F30-Y68 HydrophobicContact CG-CE1 4.46Å; F30-W99 HydrophobicContact CD2-CH2 4.42Å; F30-W99 AromaticContact CD2-CZ2 3.93Å; F30-W99 HydrophobicContact CD2-CZ2 3.93Å; F30-W99 HydrophobicContact CE2-CZ2 4.49Å
31	K	93.1	Very high	86.8	Confident	119 Å²	119	57.4 Å²	57.4	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-44	174.4	-77.8	171.9	176.5	166.7	0	112.7	D27 W29 L33 R34 A35	D27-K31 WeakPolarHBondContact O-CB 3.49Å; D27-K31 VanDerWaalsContact O-CG 3.3Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 2.85Å; D27-K31 WeakPolarHBondContact OD1-CE 3.33Å; D27-K31 IonicContact OD1-NZ 2.72Å; D27-K31 PolarHBondContact OD1-NZ 3.48Å; D27-K31 VanDerWaalsContact OD2-CE 3.23Å; D27-K31 WeakPolarHBondContact OD2-CE 3.44Å; D27-K31 IonicContact OD2-NZ 3.5Å; D27-K31 PolarHBondContact OD2-NZ 3.09Å; W29-K31 PolarHBondContact O-N 2.93Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 3.29Å; K31-R34 PolarHBondContact O-N 3.45Å; K31-A35 PolarHBondContact O-N 3.35Å
32	E	91.9	Very high	85.8	Confident	73 Å²	73	57.5 Å²	57.5	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-46.8	176.9	-172.8	-176.6	162.4	0	0	110.8	S28 W29 A35 V36 M102 R104	S28-E32 PolarHBondContact O-N 3.28Å; S28-E32 VanDerWaalsContact O-N 3.1Å; W29-E32 PolarHBondContact O-N 3.14Å; E32-A35 WeakPolarHBondContact O-CB 3.43Å; E32-A35 PolarHBondContact O-N 3.42Å; E32-A35 VanDerWaalsContact O-N 3.16Å; E32-V36 WeakPolarHBondContact O-CG2 3.44Å; E32-V36 PolarHBondContact O-N 2.97Å; E32-M102 HydrophobicContact CG-CE 4.16Å; E32-M102 WeakPolarHBondContact OE1-CE 3.41Å; E32-R104 IonicContact OE1-CZ 2.75Å; E32-R104 IonicContact OE1-NH1 3.99Å; E32-R104 IonicContact OE1-NH2 2.83Å; E32-R104 PolarHBondContact OE1-NH2 3.17Å; E32-R104 IonicContact OE2-CZ 3.93Å; E32-R104 IonicContact OE2-NH1 3Å; E32-R104 PolarHBondContact OE2-NH1 3.5Å; E32-R104 IonicContact OE2-NH2 3.81Å; E32-R104 PolarHBondContact OE2-NH2 2.62Å
33	L	90.3	Very high	85.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-49.1	174.6	-81.9	156.8	0	0	0	111.9	W29 K31 A35 V36 S37 V44 W99 M102	W29-L33 WeakPolarHBondContact O-CB 3.35Å; W29-L33 WeakPolarHBondContact O-CD1 3.31Å; W29-L33 WeakPolarHBondContact O-CG 3.5Å; W29-L33 PolarHBondContact O-N 3.3Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 3.29Å; L33-A35 PolarHBondContact O-N 3.44Å; L33-A35 VanDerWaalsContact O-N 3.15Å; L33-V36 WeakPolarHBondContact O-CG2 3.33Å; L33-V36 PolarHBondContact O-N 3.36Å; L33-V36 VanDerWaalsContact O-N 3.08Å; L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 2.97Å; L33-S37 PolarHBondContact O-OG 3.26Å; L33-V44 HydrophobicContact CB-CG1 4.35Å; L33-W99 HydrophobicContact CD1-CB 3.96Å; L33-W99 HydrophobicContact CD1-CD2 3.09Å; L33-W99 HydrophobicContact CD1-CE3 3.15Å; L33-W99 HydrophobicContact CD1-CG 3.47Å; L33-W99 VanDerWaalsContact CD1-CG 3.47Å; L33-W99 HydrophobicContact CD1-CH2 3.93Å; L33-W99 HydrophobicContact CD1-CZ2 3.93Å; L33-W99 HydrophobicContact CD1-CZ3 3.55Å; L33-W99 HydrophobicContact CD2-CB 3.69Å; L33-W99 HydrophobicContact CD2-CD2 4.43Å; L33-W99 HydrophobicContact CD2-CG 3.92Å; L33-W99 HydrophobicContact CG-CD2 4.36Å; L33-W99 HydrophobicContact CG-CG 4.35Å; L33-M102 HydrophobicContact CD2-CB 3.94Å; L33-M102 HydrophobicContact CD2-CG 3.31Å; L33-M102 HydrophobicContact CG-CG 4.08Å
34	R	89.2	Confident	85.3	Confident	141 Å²	141	63.7 Å²	63.7	53%	0.532	34%	0.34	S	S	.	.	H	α-helix	trans	-57.3	-31	176.5	-79.4	-172.4	71.5	-176.7	2.5	113.8	F30 K31 V44	F30-R34 HydrophobicContact CD1-CG 4.37Å; F30-R34 HydrophobicContact CE1-CG 4.19Å; F30-R34 WeakPolarHBondContact O-CB 3.46Å; F30-R34 WeakPolarHBondContact O-CG 3.35Å; F30-R34 PolarHBondContact O-N 2.9Å; K31-R34 PolarHBondContact O-N 3.45Å; R34-V44 HydrophobicContact CG-CG2 3.73Å
35	A	88.8	Confident	85.2	Confident	87 Å²	87	64.6 Å²	64.6	72%	0.719	34%	0.34	S	S	*	.	H	α-helix	trans	-75.8	-29.6	179.3	0	0	0	0	0	113	K31 E32 L33	K31-A35 PolarHBondContact O-N 3.35Å; E32-A35 WeakPolarHBondContact O-CB 3.43Å; E32-A35 PolarHBondContact O-N 3.42Å; E32-A35 VanDerWaalsContact O-N 3.16Å; L33-A35 PolarHBondContact O-N 3.44Å; L33-A35 VanDerWaalsContact O-N 3.15Å
36	V	84.7	Confident	85.2	Confident	90 Å²	90	66 Å²	66	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-101	-19.1	-179.8	-58	0	0	0	0	113.5	E32 L33 M102	E32-V36 WeakPolarHBondContact O-CG2 3.44Å; E32-V36 PolarHBondContact O-N 2.97Å; L33-V36 WeakPolarHBondContact O-CG2 3.33Å; L33-V36 PolarHBondContact O-N 3.36Å; L33-V36 VanDerWaalsContact O-N 3.08Å; V36-M102 HydrophobicContact CG2-CG 4.38Å; V36-M102 HydrophobicContact CG2-SD 4.01Å
37	S	75.5	Confident	85.3	Confident	11 Å²	11	66.1 Å²	66.1	8%	0.077	35%	0.353	C	S	.	.	S	Bend	trans	-77	129.3	-179.2	-71.1	0	0	0	0	110.7	L33 I39 E42 V44	L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 2.97Å; L33-S37 PolarHBondContact O-OG 3.26Å; S37-I39 PolarHBondContact O-N 2.74Å; S37-I39 VanDerWaalsContact O-N 3.15Å; S37-E42 PolarHBondContact OG-OE2 3.43Å; S37-V44 VanDerWaalsContact CB-CG1 3.49Å; S37-V44 WeakPolarHBondContact OG-CG1 3.35Å
38	N	72.7	Confident	85.3	Confident	104 Å²	104	65.7 Å²	65.7	56%	0.556	36%	0.356	S	S	*	.			trans	-75.4	102.8	163	-168.6	-18.8	0	0	0	107	G40 Y41 E42	N38-G40 PolarHBondContact O-N 3.06Å; N38-Y41 HydrophobicContact CB-CD2 4.07Å; N38-Y41 PolarHBondContact O-N 3.32Å; N38-E42 PolarHBondContact O-N 3.17Å
39	I	57.9	Low	85.5	Confident	118 Å²	118	64 Å²	64	61%	0.605	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-17.6	-172.8	-68.3	171.4	0	0	0	112.9	S37	S37-I39 PolarHBondContact O-N 2.74Å; S37-I39 VanDerWaalsContact O-N 3.15Å
40	G	58.1	Low	85.7	Confident	70 Å²	70	65.2 Å²	65.2	72%	0.722	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-22.1	172.7	0	0	0	0	0	116.3	N38	N38-G40 PolarHBondContact O-N 3.06Å
41	Y	62.1	Low	85.9	Confident	202 Å²	202	64.7 Å²	64.7	79%	0.792	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-32.5	-178.5	-69.5	-80.8	0	0	0	113	N38	N38-Y41 HydrophobicContact CB-CD2 4.07Å; N38-Y41 PolarHBondContact O-N 3.32Å
42	E	73.5	Confident	86.1	Confident	58 Å²	58	61.2 Å²	61.2	27%	0.271	34%	0.34	S	S	.	.			trans	-117.4	101.4	-176.8	-64.7	-173.2	162.7	0	0	109.9	S37 N38 V44 S101	S37-E42 PolarHBondContact OG-OE2 3.43Å; N38-E42 PolarHBondContact O-N 3.17Å; E42-V44 HydrophobicContact CB-CG1 4.26Å; E42-V44 PolarHBondContact O-N 3.46Å; E42-S101 WeakPolarHBondContact OE1-CB 3.48Å; E42-S101 PolarHBondContact OE1-OG 3.31Å; E42-S101 PolarHBondContact OE2-OG 3.18Å
43	E	88.4	Confident	86.3	Confident	126 Å²	126	58.1 Å²	58.1	59%	0.589	33%	0.328	S	S	*	.			trans	-70.1	77.5	164.7	-73.7	-170.3	106.1	0	0	108.7	N45 A46	E43-N45 PolarHBondContact O-N 3.03Å; E43-A46 HydrophobicContact CB-CB 4.02Å; E43-A46 WeakPolarHBondContact O-CB 3.37Å; E43-A46 PolarHBondContact O-N 3.43Å
44	V	93	Very high	86.5	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.079	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.3	-176.8	-64	0	0	0	0	113.7	F30 L33 R34 S37 E42 A46 W99	F30-V44 HydrophobicContact CE2-CB 4.49Å; F30-V44 HydrophobicContact CE2-CG2 4.24Å; F30-V44 WeakPolarHBondContact CE2-O 3.35Å; F30-V44 HydrophobicContact CZ-CG2 4.14Å; L33-V44 HydrophobicContact CB-CG1 4.35Å; R34-V44 HydrophobicContact CG-CG2 3.73Å; S37-V44 VanDerWaalsContact CB-CG1 3.49Å; S37-V44 WeakPolarHBondContact OG-CG1 3.35Å; E42-V44 HydrophobicContact CB-CG1 4.26Å; E42-V44 PolarHBondContact O-N 3.46Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-W99 PolarHBondContact O-NE1 3.01Å
45	N	95.3	Very high	86.8	Confident	40 Å²	40	65.9 Å²	65.9	21%	0.214	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.1	176.7	71.6	-41.6	0	0	0	113.3	F30 E43 L65	F30-N45 HydrophobicContact CE2-CB 4.29Å; F30-N45 HydrophobicContact CZ-CB 3.96Å; E43-N45 PolarHBondContact O-N 3.03Å; N45-L65 HydrophobicContact CB-CB 4.16Å; N45-L65 PolarHBondContact ND2-O 2.82Å; N45-L65 WeakPolarHBondContact O-CB 3.42Å; N45-L65 PolarHBondContact O-N 3.05Å
46	A	95.7	Very high	87.2	Confident	33 Å²	33	64.2 Å²	64.2	27%	0.273	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.5	170.6	0	0	0	0	0	110.5	E43 V44 L64	E43-A46 HydrophobicContact CB-CB 4.02Å; E43-A46 WeakPolarHBondContact O-CB 3.37Å; E43-A46 PolarHBondContact O-N 3.43Å; V44-A46 VanDerWaalsContact C-N 3.33Å; A46-L64 HydrophobicContact CB-CD2 3.92Å
47	M	98	Very high	87.8	Confident	3 Å²	3	66 Å²	66	2%	0.015	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.5	177.8	62.9	-172.8	-176.6	0	0	110.3	P62 V63 L65 F75 L95 T96 F97	M47-P62 CarbonylContact O-C 3.6Å; M47-P62 WeakPolarHBondContact O-CA 3.38Å; M47-V63 HydrophobicContact CE-CG2 3.53Å; M47-V63 HydrophobicContact CG-CG2 3.65Å; M47-V63 PolarHBondContact N-O 3.44Å; M47-V63 PolarHBondContact O-N 3.26Å; M47-V63 VanDerWaalsContact O-O 3.07Å; M47-V63 HydrophobicContact SD-CG2 4.42Å; M47-L65 HydrophobicContact CE-CB 4.37Å; M47-L65 HydrophobicContact CE-CD1 4.41Å; M47-L65 HydrophobicContact SD-CB 4.08Å; M47-L65 HydrophobicContact SD-CD1 4.35Å; M47-F75 HydrophobicContact CE-CB 3.71Å; M47-F75 HydrophobicContact CE-CD1 3.94Å; M47-F75 HydrophobicContact CE-CG 4.05Å; M47-L95 HydrophobicContact CE-CD1 4.25Å; M47-L95 HydrophobicContact CE-CD2 3.96Å; M47-L95 HydrophobicContact SD-CB 4.36Å; M47-L95 HydrophobicContact SD-CD1 3.84Å; M47-L95 HydrophobicContact SD-CD2 3.93Å; M47-L95 HydrophobicContact SD-CG 4.27Å; M47-T96 WeakPolarHBondContact CA-O 3.39Å; M47-F97 HydrophobicContact CB-CD1 3.78Å; M47-F97 HydrophobicContact CB-CD2 4.4Å; M47-F97 HydrophobicContact CB-CE1 3.63Å; M47-F97 HydrophobicContact CB-CE2 4.25Å; M47-F97 HydrophobicContact CB-CG 4.17Å; M47-F97 HydrophobicContact CB-CZ 3.88Å; M47-F97 HydrophobicContact CG-CE1 4.24Å; M47-F97 HydrophobicContact CG-CZ 4.26Å; M47-F97 HydrophobicContact SD-CE1 3.88Å; M47-F97 HydrophobicContact SD-CE2 4.08Å; M47-F97 HydrophobicContact SD-CZ 3.4Å; M47-F97 WeakPolarHBondContact SD-CZ 3.36Å
48	A	98.7	Very high	88.9	Confident	33 Å²	33	70.2 Å²	70.2	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.9	168.9	0	0	0	0	0	109.1	L95 T96	A48-L95 CarbonylContact O-C 3.56Å; A48-L95 VanDerWaalsContact O-CA 3.3Å; A48-L95 WeakPolarHBondContact O-CA 3.22Å; A48-T96 PolarHBondContact N-O 3.32Å; A48-T96 PolarHBondContact O-N 3.18Å
49	L	98.9	Very high	90.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118	173.7	168.3	68.9	0	0	0	109.3	T51 C60 R61 V63 F75 K83 M87 V93 L95	L49-T51 HydrophobicContact CD1-CG2 4.24Å; L49-T51 HydrophobicContact CD2-CG2 4.46Å; L49-T51 HydrophobicContact CG-CG2 4.18Å; L49-C60 WeakPolarHBondContact O-CA 3.44Å; L49-R61 PolarHBondContact N-O 3.38Å; L49-R61 WeakPolarHBondContact O-CD 3.41Å; L49-R61 PolarHBondContact O-N 3.14Å; L49-R61 VanDerWaalsContact O-N 3.17Å; L49-R61 PolarHBondContact O-NH1 3.3Å; L49-V63 HydrophobicContact CB-CG1 4.25Å; L49-V63 HydrophobicContact CB-CG2 3.73Å; L49-V63 HydrophobicContact CD2-CG1 4.15Å; L49-V63 HydrophobicContact CD2-CG2 4.39Å; L49-F75 HydrophobicContact CD1-CZ 4.48Å; L49-F75 HydrophobicContact CD2-CD2 4.46Å; L49-F75 HydrophobicContact CD2-CE1 4.17Å; L49-F75 HydrophobicContact CD2-CE2 3.67Å; L49-F75 HydrophobicContact CD2-CZ 3.5Å; L49-F75 VanDerWaalsContact CD2-CZ 3.5Å; L49-K83 HydrophobicContact CD2-CD 3.84Å; L49-M87 HydrophobicContact CD2-SD 4.32Å; L49-V93 HydrophobicContact CD1-CB 3.98Å; L49-V93 HydrophobicContact CD1-CG1 4.32Å; L49-V93 HydrophobicContact CD1-CG2 4.44Å; L49-L95 HydrophobicContact CB-CD2 4.13Å; L49-L95 HydrophobicContact CD1-CD2 3.54Å; L49-L95 HydrophobicContact CG-CD2 4.4Å
50	S	98.9	Very high	92.1	Very high	36 Å²	36	64 Å²	64	25%	0.252	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133	173	-56.3	0	0	0	0	110.8	S59 V93 C94	S50-S59 CarbonylContact C-O 3.48Å; S50-S59 VanDerWaalsContact CA-O 3.28Å; S50-S59 WeakPolarHBondContact CA-O 3.41Å; S50-V93 WeakPolarHBondContact O-CA 3.42Å; S50-C94 PolarHBondContact N-O 2.92Å; S50-C94 PolarHBondContact O-N 2.78Å; S50-C94 VanDerWaalsContact O-N 3.08Å
51	T	98.8	Very high	94	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	163.7	178.4	50.1	0	0	0	0	109	L49 P58 S59 R61 K83 E86 M87 V93	L49-T51 HydrophobicContact CD1-CG2 4.24Å; L49-T51 HydrophobicContact CD2-CG2 4.46Å; L49-T51 HydrophobicContact CG-CG2 4.18Å; T51-P58 CarbonylContact O-C 3.5Å; T51-P58 WeakPolarHBondContact O-CA 3.47Å; T51-S59 PolarHBondContact N-O 3.47Å; T51-S59 PolarHBondContact O-N 3.43Å; T51-S59 PolarHBondContact OG1-OG 3.25Å; T51-R61 PolarHBondContact OG1-NH1 2.89Å; T51-R61 PolarHBondContact OG1-NH2 2.84Å; T51-K83 HydrophobicContact CG2-CB 4.45Å; T51-E86 WeakPolarHBondContact CB-OE2 3.2Å; T51-E86 PolarHBondContact OG1-OE2 3.33Å; T51-M87 HydrophobicContact CG2-CG 3.48Å; T51-M87 VanDerWaalsContact CG2-CG 3.48Å; T51-M87 HydrophobicContact CG2-SD 3.9Å; T51-V93 HydrophobicContact CG2-CG1 3.87Å
52	V	98.5	Very high	95.7	Very high	46 Å²	46	58.4 Å²	58.4	28%	0.279	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.2	-179.3	-177.3	0	0	0	0	109.8	P58	V52-P58 HydrophobicContact CG2-CB 4.48Å
53	G	96.3	Very high	96.9	Very high	9 Å²	9	56.5 Å²	56.5	9%	0.093	32%	0.321	C	S	.	.			trans	-74	166	175.7	0	0	0	0	0	113.3	D55 G56 K57	G53-D55 PolarHBondContact O-N 2.95Å; G53-D55 VanDerWaalsContact O-N 3.09Å; G53-G56 PolarHBondContact O-N 3.19Å; G53-K57 PolarHBondContact N-O 3.42Å
54	R	94.7	Very high	97.3	Very high	203 Å²	203	53 Å²	53	77%	0.766	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.4	175.3	-67.7	-172.4	-173	-156.6	-6.9	113.5	G56 D89	R54-G56 PolarHBondContact O-N 3.31Å; R54-D89 HydrophobicContact CG-CB 3.68Å; R54-D89 IonicContact CZ-OD1 4Å; R54-D89 IonicContact CZ-OD2 2.75Å; R54-D89 IonicContact NE-OD1 2.94Å; R54-D89 PolarHBondContact NE-OD1 3.06Å; R54-D89 IonicContact NE-OD2 3.13Å; R54-D89 PolarHBondContact NE-OD2 2.78Å; R54-D89 VanDerWaalsContact NH2-CG 3.31Å; R54-D89 IonicContact NH2-OD1 3.92Å; R54-D89 PolarHBondContact NH2-OD1 3.43Å; R54-D89 IonicContact NH2-OD2 3.36Å
55	D	95.3	Very high	97.5	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	8	176.6	67.4	-15.7	0	0	0	113.4	G53 K57	G53-D55 PolarHBondContact O-N 2.95Å; G53-D55 VanDerWaalsContact O-N 3.09Å; D55-K57 PolarHBondContact O-N 3.39Å; D55-K57 WeakPolarHBondContact OD1-CB 3.33Å; D55-K57 PolarHBondContact OD1-N 2.95Å; D55-K57 VanDerWaalsContact OD1-N 3.14Å; D55-K57 WeakPolarHBondContact OD2-CD 3.22Å; D55-K57 WeakPolarHBondContact OD2-CE 3.34Å; D55-K57 WeakPolarHBondContact OD2-CG 3.23Å; D55-K57 IonicContact OD2-NZ 3.14Å; D55-K57 PolarHBondContact OD2-NZ 3.18Å
56	G	96.6	Very high	97.6	Very high	53 Å²	53	54.8 Å²	54.8	55%	0.546	31%	0.311	S	S	.	.	S	Bend	trans	74.7	3.2	-177.6	0	0	0	0	0	114	G53 R54	G53-G56 PolarHBondContact O-N 3.19Å; R54-G56 PolarHBondContact O-N 3.31Å
57	K	97.6	Very high	97.6	Very high	126 Å²	126	55.5 Å²	55.5	55%	0.548	32%	0.316	S	S	.	.			trans	-83	127.4	-178.5	-64.5	-174.7	-165.2	151.8	0	111.3	G53 D55	G53-K57 PolarHBondContact N-O 3.42Å; D55-K57 PolarHBondContact O-N 3.39Å; D55-K57 WeakPolarHBondContact OD1-CB 3.33Å; D55-K57 PolarHBondContact OD1-N 2.95Å; D55-K57 VanDerWaalsContact OD1-N 3.14Å; D55-K57 WeakPolarHBondContact OD2-CD 3.22Å; D55-K57 WeakPolarHBondContact OD2-CE 3.34Å; D55-K57 WeakPolarHBondContact OD2-CG 3.23Å; D55-K57 IonicContact OD2-NZ 3.14Å; D55-K57 PolarHBondContact OD2-NZ 3.18Å
58	P	98.1	Very high	97.6	Very high	101 Å²	101	58.5 Å²	58.5	66%	0.656	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	154.7	175.2	31.3	-34.8	0	0	0	111.2	T51 V52	T51-P58 CarbonylContact O-C 3.5Å; T51-P58 WeakPolarHBondContact O-CA 3.47Å; V52-P58 HydrophobicContact CG2-CB 4.48Å
59	S	98.4	Very high	97.5	Very high	12 Å²	12	60 Å²	60	8%	0.084	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.6	167.6	86.6	0	0	0	0	110.4	S50 T51 R61 R82 E86	S50-S59 CarbonylContact C-O 3.48Å; S50-S59 VanDerWaalsContact CA-O 3.28Å; S50-S59 WeakPolarHBondContact CA-O 3.41Å; T51-S59 PolarHBondContact N-O 3.47Å; T51-S59 PolarHBondContact O-N 3.43Å; T51-S59 PolarHBondContact OG1-OG 3.25Å; S59-R61 PolarHBondContact OG-NH2 3.11Å; S59-R82 VanDerWaalsContact CB-CZ 3.42Å; S59-R82 VanDerWaalsContact CB-NH2 3.32Å; S59-E86 PolarHBondContact OG-OE1 2.87Å; S59-E86 PolarHBondContact OG-OE2 3.38Å
60	C	98.6	Very high	97.3	Very high	80 Å²	80	65.8 Å²	65.8	54%	0.541	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.1	-174.8	-178.2	0	0	0	0	110.5	L49	L49-C60 WeakPolarHBondContact O-CA 3.44Å
61	R	98.5	Very high	97.2	Very high	44 Å²	44	66.2 Å²	66.2	17%	0.166	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	153.8	173.1	80	-60	-63.9	-177.9	-9.9	111	L49 T51 S59 V63 K83 E86	L49-R61 PolarHBondContact N-O 3.38Å; L49-R61 WeakPolarHBondContact O-CD 3.41Å; L49-R61 PolarHBondContact O-N 3.14Å; L49-R61 VanDerWaalsContact O-N 3.17Å; L49-R61 PolarHBondContact O-NH1 3.3Å; T51-R61 PolarHBondContact OG1-NH1 2.89Å; T51-R61 PolarHBondContact OG1-NH2 2.84Å; S59-R61 PolarHBondContact OG-NH2 3.11Å; R61-V63 HydrophobicContact CG-CG1 4.2Å; R61-K83 VanDerWaalsContact NH2-CB 3.32Å; R61-E86 IonicContact NH2-OE2 3.38Å
62	P	98.1	Very high	97.1	Very high	110 Å²	110	66.2 Å²	66.2	71%	0.714	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.1	168.3	28.3	-33.8	0	0	0	111.4	M47	M47-P62 CarbonylContact O-C 3.6Å; M47-P62 WeakPolarHBondContact O-CA 3.38Å
63	V	98.2	Very high	97.2	Very high	18 Å²	18	64 Å²	64	11%	0.109	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	166.2	166.9	-61.9	0	0	0	0	108.4	M47 L49 R61 F75 K83	M47-V63 HydrophobicContact CE-CG2 3.53Å; M47-V63 HydrophobicContact CG-CG2 3.65Å; M47-V63 PolarHBondContact N-O 3.44Å; M47-V63 PolarHBondContact O-N 3.26Å; M47-V63 VanDerWaalsContact O-O 3.07Å; M47-V63 HydrophobicContact SD-CG2 4.42Å; L49-V63 HydrophobicContact CB-CG1 4.25Å; L49-V63 HydrophobicContact CB-CG2 3.73Å; L49-V63 HydrophobicContact CD2-CG1 4.15Å; L49-V63 HydrophobicContact CD2-CG2 4.39Å; R61-V63 HydrophobicContact CG-CG1 4.2Å; V63-F75 HydrophobicContact CG2-CB 4.49Å; V63-F75 HydrophobicContact CG2-CD2 4.44Å; V63-F75 HydrophobicContact CG2-CG 4.39Å; V63-K83 HydrophobicContact CG1-CD 4.48Å
64	L	97	Very high	97.3	Very high	53 Å²	53	64.3 Å²	64.3	28%	0.277	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.2	176.8	-62.9	-179.6	0	0	0	110	A46 K66	A46-L64 HydrophobicContact CB-CD2 3.92Å; L64-K66 HydrophobicContact CB-CD 4.25Å; L64-K66 PolarHBondContact O-N 3.18Å
65	L	97.9	Very high	97.5	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	32%	0.32	C	S	.	.			trans	-59.2	127.7	162.5	-178	70.2	0	0	0	108.8	F26 F30 N45 M47 A67 Y68 F73 F97	F26-L65 HydrophobicContact CE1-CD2 3.96Å; F26-L65 HydrophobicContact CZ-CD2 3.76Å; F30-L65 HydrophobicContact CE2-CD2 4.22Å; F30-L65 HydrophobicContact CZ-CD2 4.34Å; N45-L65 HydrophobicContact CB-CB 4.16Å; N45-L65 PolarHBondContact ND2-O 2.82Å; N45-L65 WeakPolarHBondContact O-CB 3.42Å; N45-L65 PolarHBondContact O-N 3.05Å; M47-L65 HydrophobicContact CE-CB 4.37Å; M47-L65 HydrophobicContact CE-CD1 4.41Å; M47-L65 HydrophobicContact SD-CB 4.08Å; M47-L65 HydrophobicContact SD-CD1 4.35Å; L65-A67 WeakPolarHBondContact CD1-O 3.46Å; L65-Y68 HydrophobicContact CD2-CD1 3.89Å; L65-F73 HydrophobicContact CD1-CB 3.76Å; L65-F73 HydrophobicContact CD1-CD1 3.87Å; L65-F73 HydrophobicContact CD1-CG 4.33Å; L65-F73 HydrophobicContact CD2-CD1 4.43Å; L65-F97 HydrophobicContact CB-CE1 4.13Å; L65-F97 HydrophobicContact CB-CZ 4.38Å; L65-F97 HydrophobicContact CD1-CZ 4.45Å; L65-F97 HydrophobicContact CD2-CE1 3.93Å; L65-F97 HydrophobicContact CD2-CZ 3.99Å
66	K	96.9	Very high	97.6	Very high	84 Å²	84	51.8 Å²	51.8	37%	0.365	30%	0.302	S	S	.	.			trans	-113.2	-27.3	-178.6	-64.9	-47.4	-169.8	178.1	0	113.6	L64 T74 Y76 Y123	L64-K66 HydrophobicContact CB-CD 4.25Å; L64-K66 PolarHBondContact O-N 3.18Å; K66-T74 PolarHBondContact N-O 3.43Å; K66-Y76 HydrophobicContact CB-CD2 3.73Å; K66-Y76 HydrophobicContact CB-CE2 3.6Å; K66-Y76 HydrophobicContact CG-CD2 3.6Å; K66-Y76 HydrophobicContact CG-CE2 4Å; K66-Y123 HydrophobicContact CB-CE2 4.11Å; K66-Y123 HydrophobicContact CD-CE2 4.43Å; K66-Y123 WeakPolarHBondContact CD-OH 3.47Å; K66-Y123 WeakPolarHBondContact CE-OH 3.38Å; K66-Y123 HydrophobicContact CG-CE2 4.23Å
67	A	96.9	Very high	97.7	Very high	47 Å²	47	49.6 Å²	49.6	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.3	169.2	0	0	0	0	0	109.2	L65 T74	L65-A67 WeakPolarHBondContact CD1-O 3.46Å; A67-T74 PolarHBondContact N-O 2.8Å; A67-T74 PolarHBondContact O-N 3.05Å
68	Y	97.8	Very high	97.7	Very high	66 Å²	66	44 Å²	44	26%	0.259	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.7	168.2	62.6	-84.9	0	0	0	109	M23 F26 D27 F30 L65 G72	M23-Y68 HydrophobicContact CE-CD2 4.4Å; F26-Y68 AromaticContact CD1-CD2 3.94Å; F26-Y68 HydrophobicContact CD1-CD2 3.94Å; F26-Y68 HydrophobicContact CD1-CE2 4.13Å; F26-Y68 HydrophobicContact CD1-CG 4.22Å; F26-Y68 AromaticContact CE1-CD1 3.99Å; F26-Y68 HydrophobicContact CE1-CD1 3.99Å; F26-Y68 HydrophobicContact CE1-CD2 4.08Å; F26-Y68 HydrophobicContact CE1-CE1 4.22Å; F26-Y68 HydrophobicContact CE1-CE2 4.31Å; F26-Y68 AromaticContact CE1-CG 3.92Å; F26-Y68 HydrophobicContact CE1-CG 3.92Å; D27-Y68 HydrophobicContact CB-CE2 3.97Å; D27-Y68 WeakPolarHBondContact OD1-CE2 3.23Å; D27-Y68 PolarHBondContact OD1-OH 3.22Å; F30-Y68 AromaticContact CD1-CE1 3.75Å; F30-Y68 HydrophobicContact CD1-CE1 3.75Å; F30-Y68 AromaticContact CE1-CE1 3.91Å; F30-Y68 HydrophobicContact CE1-CE1 3.91Å; F30-Y68 HydrophobicContact CG-CE1 4.46Å; L65-Y68 HydrophobicContact CD2-CD1 3.89Å; Y68-G72 CarbonylContact C-O 3.6Å; Y68-G72 WeakPolarHBondContact CA-O 3.49Å
69	S	96.4	Very high	97.7	Very high	64 Å²	64	41.1 Å²	41.1	45%	0.448	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-175.4	178.2	74.8	0	0	0	0	109.6	M23 A71 G72	M23-S69 WeakPolarHBondContact CE-O 3.47Å; S69-A71 PolarHBondContact O-N 3.46Å; S69-A71 VanDerWaalsContact O-N 3.11Å; S69-A71 WeakPolarHBondContact OG-CB 3.4Å; S69-A71 PolarHBondContact OG-N 3Å; S69-A71 VanDerWaalsContact OG-N 3.12Å; S69-G72 PolarHBondContact N-O 3.18Å; S69-G72 PolarHBondContact O-N 2.85Å
70	Q	94.7	Very high	97.6	Very high	122 Å²	122	43.8 Å²	43.8	57%	0.57	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.4	171.5	-64.7	-58.2	-15.9	0	0	113.2	E21	E21-Q70 PolarHBondContact OE2-OE1 3.2Å
71	A	95.6	Very high	97.6	Very high	46 Å²	46	40 Å²	40	38%	0.38	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-24.6	177.4	0	0	0	0	0	113.2	S69 L178	S69-A71 PolarHBondContact O-N 3.46Å; S69-A71 VanDerWaalsContact O-N 3.11Å; S69-A71 WeakPolarHBondContact OG-CB 3.4Å; S69-A71 PolarHBondContact OG-N 3Å; S69-A71 VanDerWaalsContact OG-N 3.12Å; A71-L178 HydrophobicContact CB-CD2 3.98Å
72	G	98	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141	-147.1	179	0	0	0	0	0	115.1	Y68 S69 V179	Y68-G72 CarbonylContact C-O 3.6Å; Y68-G72 WeakPolarHBondContact CA-O 3.49Å; S69-G72 PolarHBondContact N-O 3.18Å; S69-G72 PolarHBondContact O-N 2.85Å; G72-V179 VanDerWaalsContact CA-O 3.25Å; G72-V179 WeakPolarHBondContact CA-O 3.46Å
73	F	98.8	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.6	-169.1	-57.9	-95	0	0	0	111.6	M23 F26 L65 L95 F97 V108 V179	M23-F73 HydrophobicContact CE-CD1 4.33Å; M23-F73 HydrophobicContact CE-CD2 4.24Å; M23-F73 HydrophobicContact CE-CE1 3.83Å; M23-F73 HydrophobicContact CE-CE2 3.71Å; M23-F73 HydrophobicContact CE-CZ 3.49Å; M23-F73 VanDerWaalsContact CE-CZ 3.49Å; M23-F73 HydrophobicContact SD-CD2 4.41Å; M23-F73 HydrophobicContact SD-CE1 4.5Å; M23-F73 HydrophobicContact SD-CE2 3.52Å; M23-F73 VanDerWaalsContact SD-CE2 3.52Å; M23-F73 HydrophobicContact SD-CZ 3.58Å; M23-F73 VanDerWaalsContact SD-CZ 3.58Å; F26-F73 HydrophobicContact CB-CZ 4.48Å; F26-F73 AromaticContact CD1-CE1 3.71Å; F26-F73 HydrophobicContact CD1-CE1 3.71Å; F26-F73 HydrophobicContact CD1-CZ 4.36Å; F26-F73 AromaticContact CD2-CE1 3.66Å; F26-F73 HydrophobicContact CD2-CE1 3.66Å; F26-F73 HydrophobicContact CD2-CZ 4.03Å; F26-F73 HydrophobicContact CE1-CD1 4.3Å; F26-F73 AromaticContact CE1-CE1 3.68Å; F26-F73 HydrophobicContact CE1-CE1 3.68Å; F26-F73 AromaticContact CE2-CE1 3.61Å; F26-F73 HydrophobicContact CE2-CE1 3.61Å; F26-F73 HydrophobicContact CE2-CZ 4.39Å; F26-F73 AromaticContact CG-CE1 3.71Å; F26-F73 HydrophobicContact CG-CE1 3.71Å; F26-F73 HydrophobicContact CG-CZ 4.02Å; F26-F73 HydrophobicContact CZ-CD1 4.22Å; F26-F73 AromaticContact CZ-CE1 3.63Å; F26-F73 HydrophobicContact CZ-CE1 3.63Å; L65-F73 HydrophobicContact CD1-CB 3.76Å; L65-F73 HydrophobicContact CD1-CD1 3.87Å; L65-F73 HydrophobicContact CD1-CG 4.33Å; L65-F73 HydrophobicContact CD2-CD1 4.43Å; F73-L95 HydrophobicContact CB-CD1 3.66Å; F73-L95 HydrophobicContact CD2-CD1 4.16Å; F73-L95 HydrophobicContact CG-CD1 3.9Å; F73-F97 HydrophobicContact CD1-CE2 4.15Å; F73-F97 AromaticContact CD1-CZ 3.99Å; F73-F97 HydrophobicContact CD1-CZ 3.99Å; F73-F97 HydrophobicContact CE1-CE2 4.09Å; F73-F97 HydrophobicContact CE1-CZ 4.24Å; F73-V108 HydrophobicContact CD2-CG1 3.91Å; F73-V108 HydrophobicContact CD2-CG2 4.19Å; F73-V108 HydrophobicContact CE1-CG2 4.36Å; F73-V108 HydrophobicContact CE2-CB 4.22Å; F73-V108 HydrophobicContact CE2-CG1 3.67Å; F73-V108 HydrophobicContact CE2-CG2 3.54Å; F73-V108 HydrophobicContact CZ-CG2 3.63Å; F73-V179 HydrophobicContact CB-CB 4.38Å; F73-V179 PolarHBondContact N-O 2.71Å; F73-V179 PolarHBondContact O-N 2.94Å
74	T	98.7	Very high	97.6	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.3	-176.5	-54.3	0	0	0	0	111.9	K66 A67 Y76 I115 Y177	K66-T74 PolarHBondContact N-O 3.43Å; A67-T74 PolarHBondContact N-O 2.8Å; A67-T74 PolarHBondContact O-N 3.05Å; T74-Y76 HydrophobicContact CG2-CE2 4.05Å; T74-I115 HydrophobicContact CG2-CD1 4.28Å; T74-I115 HydrophobicContact CG2-CG2 4.48Å; T74-Y177 CarbonylContact C-O 3.6Å; T74-Y177 VanDerWaalsContact CA-O 3.24Å; T74-Y177 WeakPolarHBondContact CA-O 3.37Å
75	F	98.7	Very high	97.6	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	167.7	168.3	71.1	-82.4	0	0	0	110.3	M47 L49 V63 K83 M87 V112 G176 Y177 V179	M47-F75 HydrophobicContact CE-CB 3.71Å; M47-F75 HydrophobicContact CE-CD1 3.94Å; M47-F75 HydrophobicContact CE-CG 4.05Å; L49-F75 HydrophobicContact CD1-CZ 4.48Å; L49-F75 HydrophobicContact CD2-CD2 4.46Å; L49-F75 HydrophobicContact CD2-CE1 4.17Å; L49-F75 HydrophobicContact CD2-CE2 3.67Å; L49-F75 HydrophobicContact CD2-CZ 3.5Å; L49-F75 VanDerWaalsContact CD2-CZ 3.5Å; V63-F75 HydrophobicContact CG2-CB 4.49Å; V63-F75 HydrophobicContact CG2-CD2 4.44Å; V63-F75 HydrophobicContact CG2-CG 4.39Å; F75-K83 HydrophobicContact CE2-CD 4.32Å; F75-M87 HydrophobicContact CE2-CE 4.24Å; F75-M87 HydrophobicContact CZ-CE 3.86Å; F75-M87 HydrophobicContact CZ-SD 3.82Å; F75-V112 HydrophobicContact CE1-CG2 4.37Å; F75-G176 WeakPolarHBondContact O-CA 3.41Å; F75-Y177 HydrophobicContact CD2-CD2 4.35Å; F75-Y177 HydrophobicContact CE1-CG 4.33Å; F75-Y177 AromaticContact CE2-CD2 3.67Å; F75-Y177 HydrophobicContact CE2-CD2 3.67Å; F75-Y177 HydrophobicContact CE2-CG 4.1Å; F75-Y177 VanDerWaalsContact CZ-CB 3.48Å; F75-Y177 AromaticContact CZ-CD2 3.87Å; F75-Y177 HydrophobicContact CZ-CD2 3.87Å; F75-Y177 AromaticContact CZ-CG 3.8Å; F75-Y177 HydrophobicContact CZ-CG 3.8Å; F75-Y177 PolarHBondContact N-O 3.35Å; F75-Y177 PolarHBondContact O-N 3.43Å; F75-V179 HydrophobicContact CD1-CG2 4.24Å; F75-V179 HydrophobicContact CE1-CG2 3.76Å
76	Y	98.5	Very high	97.6	Very high	39 Å²	39	42.5 Å²	42.5	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143	-178.4	-63.9	-98.2	0	0	0	111.7	K66 T74 I115 Y123 W174 V175	K66-Y76 HydrophobicContact CB-CD2 3.73Å; K66-Y76 HydrophobicContact CB-CE2 3.6Å; K66-Y76 HydrophobicContact CG-CD2 3.6Å; K66-Y76 HydrophobicContact CG-CE2 4Å; T74-Y76 HydrophobicContact CG2-CE2 4.05Å; Y76-I115 HydrophobicContact CE1-CD1 3.85Å; Y76-Y123 AromaticContact CD1-CD1 3.86Å; Y76-Y123 HydrophobicContact CD1-CD1 3.86Å; Y76-Y123 HydrophobicContact CD1-CE1 4.36Å; Y76-Y123 HydrophobicContact CD1-CG 4.46Å; Y76-Y123 AromaticContact CD2-CD1 3.74Å; Y76-Y123 HydrophobicContact CD2-CD1 3.74Å; Y76-Y123 AromaticContact CD2-CE1 3.61Å; Y76-Y123 HydrophobicContact CD2-CE1 3.61Å; Y76-Y123 HydrophobicContact CD2-CE2 4.45Å; Y76-Y123 HydrophobicContact CD2-CG 4.19Å; Y76-Y123 AromaticContact CE1-CD1 3.69Å; Y76-Y123 HydrophobicContact CE1-CD1 3.69Å; Y76-Y123 AromaticContact CE1-CG 3.83Å; Y76-Y123 HydrophobicContact CE1-CG 3.83Å; Y76-Y123 AromaticContact CE2-CD1 3.56Å; Y76-Y123 HydrophobicContact CE2-CD1 3.56Å; Y76-Y123 AromaticContact CE2-CD2 3.74Å; Y76-Y123 HydrophobicContact CE2-CD2 3.74Å; Y76-Y123 AromaticContact CE2-CE1 3.78Å; Y76-Y123 HydrophobicContact CE2-CE1 3.78Å; Y76-Y123 AromaticContact CE2-CE2 3.98Å; Y76-Y123 HydrophobicContact CE2-CE2 3.98Å; Y76-Y123 AromaticContact CE2-CG 3.52Å; Y76-Y123 HydrophobicContact CE2-CG 3.52Å; Y76-Y123 AromaticContact CG-CD1 3.87Å; Y76-Y123 HydrophobicContact CG-CD1 3.87Å; Y76-Y123 AromaticContact CG-CE1 3.91Å; Y76-Y123 HydrophobicContact CG-CE1 3.91Å; Y76-Y123 VanDerWaalsContact CZ-CB 3.47Å; Y76-Y123 AromaticContact CZ-CD1 3.53Å; Y76-Y123 AromaticContact CZ-CD2 3.89Å; Y76-Y123 AromaticContact CZ-CG 3.31Å; Y76-Y123 WeakPolarHBondContact OH-CB 3.2Å; Y76-W174 VanDerWaalsContact CB-CZ2 3.43Å; Y76-W174 HydrophobicContact CD1-CE3 4.25Å; Y76-W174 AromaticContact CD1-CH2 3.19Å; Y76-W174 HydrophobicContact CD1-CH2 3.19Å; Y76-W174 HydrophobicContact CD1-CZ2 4.2Å; Y76-W174 AromaticContact CD1-CZ3 3.24Å; Y76-W174 HydrophobicContact CD1-CZ3 3.24Å; Y76-W174 HydrophobicContact CD2-CH2 4.39Å; Y76-W174 HydrophobicContact CE1-CH2 4.09Å; Y76-W174 AromaticContact CE1-CZ3 3.95Å; Y76-W174 HydrophobicContact CE1-CZ3 3.95Å; Y76-W174 AromaticContact CG-CH2 3.37Å; Y76-W174 HydrophobicContact CG-CH2 3.37Å; Y76-W174 HydrophobicContact CG-CZ2 4.05Å; Y76-W174 AromaticContact CG-CZ3 3.93Å; Y76-W174 HydrophobicContact CG-CZ3 3.93Å; Y76-V175 WeakPolarHBondContact CA-O 3.27Å
77	S	98.2	Very high	97.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-178.7	179.5	-128.2	0	0	0	0	112.3	K83 Q140 V175	S77-K83 PolarHBondContact OG-NZ 2.95Å; S77-Q140 PolarHBondContact OG-OE1 2.91Å; S77-Q140 VanDerWaalsContact OG-OE1 3.13Å; S77-V175 PolarHBondContact N-O 2.63Å; S77-V175 PolarHBondContact O-N 2.52Å; S77-V175 VanDerWaalsContact O-O 3.13Å
78	S	97.8	Very high	97.8	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135	171.5	-179.3	0	0	0	0	111.6	N80 S81 T173	S78-N80 PolarHBondContact O-N 2.88Å; S78-N80 PolarHBondContact OG-N 3.25Å; S78-S81 WeakPolarHBondContact O-CB 3.44Å; S78-S81 PolarHBondContact O-N 2.88Å; S78-S81 VanDerWaalsContact O-N 3.17Å; S78-S81 PolarHBondContact O-OG 3.27Å; S78-T173 CarbonylContact C-O 3.55Å; S78-T173 WeakPolarHBondContact CA-O 3.29Å; S78-T173 PolarHBondContact OG-O 2.71Å
79	T	98	Very high	97.7	Very high	40 Å²	40	45 Å²	45	25%	0.245	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.4	168.4	56.4	0	0	0	0	112.3	S81 G84 K85 I114 T173 V175 Y177	T79-S81 VanDerWaalsContact C-N 3.35Å; T79-G84 CarbonylContact O-C 3.44Å; T79-K85 PolarHBondContact O-N 3Å; T79-I114 HydrophobicContact CG2-CD1 4.26Å; T79-T173 PolarHBondContact N-O 2.85Å; T79-T173 WeakPolarHBondContact OG1-CA 3.47Å; T79-T173 WeakPolarHBondContact OG1-CB 3.48Å; T79-T173 PolarHBondContact OG1-O 2.92Å; T79-V175 HydrophobicContact CG2-CB 4.46Å; T79-V175 HydrophobicContact CG2-CG1 3.9Å; T79-V175 HydrophobicContact CG2-CG2 3.66Å; T79-Y177 WeakPolarHBondContact CA-OH 3.38Å; T79-Y177 WeakPolarHBondContact CG2-OH 3.46Å
80	N	96.4	Very high	97.8	Very high	69 Å²	69	44 Å²	44	37%	0.369	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.8	177.9	-74.4	-14.3	0	0	0	114.2	S78 K85 T173	S78-N80 PolarHBondContact O-N 2.88Å; S78-N80 PolarHBondContact OG-N 3.25Å; N80-K85 VanDerWaalsContact O-CE 3.22Å; N80-K85 WeakPolarHBondContact O-CE 3.28Å; N80-T173 WeakPolarHBondContact ND2-CG2 3.48Å
81	S	98	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-69.8	163.9	177.8	72.7	0	0	0	0	111.9	S78 T79 K83 G84 K85 Q140	S78-S81 WeakPolarHBondContact O-CB 3.44Å; S78-S81 PolarHBondContact O-N 2.88Å; S78-S81 VanDerWaalsContact O-N 3.17Å; S78-S81 PolarHBondContact O-OG 3.27Å; T79-S81 VanDerWaalsContact C-N 3.35Å; S81-K83 VanDerWaalsContact C-N 3.3Å; S81-K83 PolarHBondContact O-N 3.23Å; S81-K83 WeakPolarHBondContact OG-CG 3.37Å; S81-G84 PolarHBondContact O-N 2.68Å; S81-G84 PolarHBondContact OG-N 3.17Å; S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.13Å; S81-Q140 WeakPolarHBondContact CA-O 3.43Å; S81-Q140 PolarHBondContact OG-OE1 2.79Å
82	R	97.9	Very high	98.1	Very high	132 Å²	132	43 Å²	43	50%	0.498	21%	0.208	S	C	.	.	H	α-helix	trans	-52.6	-48.7	176	-179.2	178.8	174.2	-174.8	2.2	111.7	S59 G84 K85 E86	S59-R82 VanDerWaalsContact CB-CZ 3.42Å; S59-R82 VanDerWaalsContact CB-NH2 3.32Å; R82-G84 VanDerWaalsContact C-N 3.33Å; R82-G84 PolarHBondContact O-N 2.82Å; R82-K85 PolarHBondContact O-N 2.84Å; R82-E86 HydrophobicContact CG-CG 4.44Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 IonicContact CZ-OE1 3.33Å; R82-E86 IonicContact NE-OE1 3.21Å; R82-E86 PolarHBondContact NE-OE1 3.24Å; R82-E86 IonicContact NH2-OE1 2.67Å; R82-E86 PolarHBondContact NH2-OE1 3.26Å; R82-E86 VanDerWaalsContact O-CG 3.31Å; R82-E86 WeakPolarHBondContact O-CG 3.39Å; R82-E86 PolarHBondContact O-N 3.14Å
83	K	98.4	Very high	98.2	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-38.9	177.9	81.4	-174.6	77.8	64.4	0	112.3	L49 T51 R61 V63 F75 S77 S81 E86 M87	L49-K83 HydrophobicContact CD2-CD 3.84Å; T51-K83 HydrophobicContact CG2-CB 4.45Å; R61-K83 VanDerWaalsContact NH2-CB 3.32Å; V63-K83 HydrophobicContact CG1-CD 4.48Å; F75-K83 HydrophobicContact CE2-CD 4.32Å; S77-K83 PolarHBondContact OG-NZ 2.95Å; S81-K83 VanDerWaalsContact C-N 3.3Å; S81-K83 PolarHBondContact O-N 3.23Å; S81-K83 WeakPolarHBondContact OG-CG 3.37Å; K83-E86 PolarHBondContact O-N 3.35Å; K83-M87 HydrophobicContact CB-CE 4.45Å; K83-M87 HydrophobicContact CG-CE 3.98Å; K83-M87 VanDerWaalsContact O-CB 3.27Å; K83-M87 WeakPolarHBondContact O-CB 3.34Å; K83-M87 WeakPolarHBondContact O-CE 3.43Å; K83-M87 WeakPolarHBondContact O-CG 3.38Å; K83-M87 PolarHBondContact O-N 2.88Å
84	G	98.3	Very high	98.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-41.7	-180	0	0	0	0	0	111.7	T79 S81 R82 K88	T79-G84 CarbonylContact O-C 3.44Å; S81-G84 PolarHBondContact O-N 2.68Å; S81-G84 PolarHBondContact OG-N 3.17Å; R82-G84 VanDerWaalsContact C-N 3.33Å; R82-G84 PolarHBondContact O-N 2.82Å; G84-K88 WeakPolarHBondContact O-CB 3.41Å; G84-K88 PolarHBondContact O-N 2.99Å
85	K	98.1	Very high	98.2	Very high	123 Å²	123	44 Å²	44	54%	0.535	22%	0.215	S	C	.	.	H	α-helix	trans	-65.2	-48.6	174	-66.9	174.4	178.2	174.9	0	111.9	T79 N80 S81 R82 M87 K88 D89	T79-K85 PolarHBondContact O-N 3Å; N80-K85 VanDerWaalsContact O-CE 3.22Å; N80-K85 WeakPolarHBondContact O-CE 3.28Å; S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.13Å; R82-K85 PolarHBondContact O-N 2.84Å; K85-M87 PolarHBondContact O-N 3.4Å; K85-K88 PolarHBondContact O-N 3.2Å; K85-D89 VanDerWaalsContact O-CG 3.29Å; K85-D89 PolarHBondContact O-N 3.36Å
86	E	98.5	Very high	98.2	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-45.6	177.3	-69.3	177	-175.5	0	0	111.4	T51 S59 R61 R82 K83 K88 D89 N90	T51-E86 WeakPolarHBondContact CB-OE2 3.2Å; T51-E86 PolarHBondContact OG1-OE2 3.33Å; S59-E86 PolarHBondContact OG-OE1 2.87Å; S59-E86 PolarHBondContact OG-OE2 3.38Å; R61-E86 IonicContact NH2-OE2 3.38Å; R82-E86 HydrophobicContact CG-CG 4.44Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 IonicContact CZ-OE1 3.33Å; R82-E86 IonicContact NE-OE1 3.21Å; R82-E86 PolarHBondContact NE-OE1 3.24Å; R82-E86 IonicContact NH2-OE1 2.67Å; R82-E86 PolarHBondContact NH2-OE1 3.26Å; R82-E86 VanDerWaalsContact O-CG 3.31Å; R82-E86 WeakPolarHBondContact O-CG 3.39Å; R82-E86 PolarHBondContact O-N 3.14Å; K83-E86 PolarHBondContact O-N 3.35Å; E86-K88 PolarHBondContact O-N 3.04Å; E86-D89 PolarHBondContact O-N 3.22Å; E86-N90 PolarHBondContact O-N 2.82Å
87	M	98.4	Very high	98.2	Very high	6 Å²	6	44 Å²	44	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-30.6	179.1	-73.4	-176.3	-47.5	0	0	114	L49 T51 F75 K83 K85 D89 N90 P91 V93 V112 Y177	L49-M87 HydrophobicContact CD2-SD 4.32Å; T51-M87 HydrophobicContact CG2-CG 3.48Å; T51-M87 VanDerWaalsContact CG2-CG 3.48Å; T51-M87 HydrophobicContact CG2-SD 3.9Å; F75-M87 HydrophobicContact CE2-CE 4.24Å; F75-M87 HydrophobicContact CZ-CE 3.86Å; F75-M87 HydrophobicContact CZ-SD 3.82Å; K83-M87 HydrophobicContact CB-CE 4.45Å; K83-M87 HydrophobicContact CG-CE 3.98Å; K83-M87 VanDerWaalsContact O-CB 3.27Å; K83-M87 WeakPolarHBondContact O-CB 3.34Å; K83-M87 WeakPolarHBondContact O-CE 3.43Å; K83-M87 WeakPolarHBondContact O-CG 3.38Å; K83-M87 PolarHBondContact O-N 2.88Å; K85-M87 PolarHBondContact O-N 3.4Å; M87-D89 VanDerWaalsContact C-N 3.28Å; M87-N90 WeakPolarHBondContact CA-O 3.46Å; M87-N90 CarbonylContact O-C 3.59Å; M87-P91 WeakPolarHBondContact O-CA 3.44Å; M87-V93 HydrophobicContact CG-CG1 3.83Å; M87-V93 HydrophobicContact SD-CG1 3.99Å; M87-V112 HydrophobicContact CB-CG1 3.73Å; M87-V112 HydrophobicContact CG-CG1 3.83Å; M87-V112 HydrophobicContact SD-CB 4.33Å; M87-V112 HydrophobicContact SD-CG1 3.87Å; M87-V112 HydrophobicContact SD-CG2 4.08Å; M87-Y177 HydrophobicContact CE-CD1 3.84Å; M87-Y177 HydrophobicContact CE-CD2 3.97Å; M87-Y177 HydrophobicContact CE-CE1 3.62Å; M87-Y177 HydrophobicContact CE-CE2 3.78Å; M87-Y177 HydrophobicContact CE-CG 4Å
88	K	97.8	Very high	98	Very high	179 Å²	179	50.4 Å²	50.4	78%	0.778	24%	0.244	S	C	*	.	H	α-helix	trans	-64.2	-38.4	172.9	178.3	-179.2	176.1	-179.7	0	111	G84 K85 E86	G84-K88 WeakPolarHBondContact O-CB 3.41Å; G84-K88 PolarHBondContact O-N 2.99Å; K85-K88 PolarHBondContact O-N 3.2Å; E86-K88 PolarHBondContact O-N 3.04Å
89	D	97.5	Very high	97.8	Very high	65 Å²	65	50.4 Å²	50.4	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-87.8	-33.6	-174.6	-62.2	-28.7	0	0	0	112.7	R54 K85 E86 M87	R54-D89 HydrophobicContact CG-CB 3.68Å; R54-D89 IonicContact CZ-OD1 4Å; R54-D89 IonicContact CZ-OD2 2.75Å; R54-D89 IonicContact NE-OD1 2.94Å; R54-D89 PolarHBondContact NE-OD1 3.06Å; R54-D89 IonicContact NE-OD2 3.13Å; R54-D89 PolarHBondContact NE-OD2 2.78Å; R54-D89 VanDerWaalsContact NH2-CG 3.31Å; R54-D89 IonicContact NH2-OD1 3.92Å; R54-D89 PolarHBondContact NH2-OD1 3.43Å; R54-D89 IonicContact NH2-OD2 3.36Å; K85-D89 VanDerWaalsContact O-CG 3.29Å; K85-D89 PolarHBondContact O-N 3.36Å; E86-D89 PolarHBondContact O-N 3.22Å; M87-D89 VanDerWaalsContact C-N 3.28Å
90	N	98.2	Very high	97.3	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	25%	0.251	C	S	.	.			trans	-138.2	104	176.4	-179.7	1.9	0	0	0	109.1	E86 M87 N92	E86-N90 PolarHBondContact O-N 2.82Å; M87-N90 WeakPolarHBondContact CA-O 3.46Å; M87-N90 CarbonylContact O-C 3.59Å; N90-N92 PolarHBondContact O-N 3.19Å; N90-N92 WeakPolarHBondContact OD1-CB 3.32Å; N90-N92 PolarHBondContact OD1-N 3.46Å; N90-N92 VanDerWaalsContact OD1-N 3.14Å; N90-N92 PolarHBondContact OD1-ND2 2.9Å
91	P	98.2	Very high	96.9	Very high	55 Å²	55	50.4 Å²	50.4	36%	0.357	25%	0.248	S	C	.	.			trans	-74.4	-5	-175.7	30.9	-35.9	0	0	0	113.5	M87 V93 T111 V112	M87-P91 WeakPolarHBondContact O-CA 3.44Å; P91-V93 PolarHBondContact O-N 2.86Å; P91-T111 CarbonylContact O-C 3.57Å; P91-T111 VanDerWaalsContact O-CA 3.26Å; P91-T111 WeakPolarHBondContact O-CA 3.43Å; P91-V112 HydrophobicContact CB-CG1 4.3Å; P91-V112 PolarHBondContact O-N 3.14Å
92	N	98.6	Very high	96.4	Very high	93 Å²	93	52.3 Å²	52.3	50%	0.497	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.3	178.8	-60.9	-71.8	0	0	0	110.7	N90 G110	N90-N92 PolarHBondContact O-N 3.19Å; N90-N92 WeakPolarHBondContact OD1-CB 3.32Å; N90-N92 PolarHBondContact OD1-N 3.46Å; N90-N92 VanDerWaalsContact OD1-N 3.14Å; N90-N92 PolarHBondContact OD1-ND2 2.9Å; N92-G110 WeakPolarHBondContact CA-O 3.31Å
93	V	98.8	Very high	96.1	Very high	10 Å²	10	47.1 Å²	47.1	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.4	-177	-58.2	0	0	0	0	111.6	L49 S50 T51 M87 P91 G110 V112 V179	L49-V93 HydrophobicContact CD1-CB 3.98Å; L49-V93 HydrophobicContact CD1-CG1 4.32Å; L49-V93 HydrophobicContact CD1-CG2 4.44Å; S50-V93 WeakPolarHBondContact O-CA 3.42Å; T51-V93 HydrophobicContact CG2-CG1 3.87Å; M87-V93 HydrophobicContact CG-CG1 3.83Å; M87-V93 HydrophobicContact SD-CG1 3.99Å; P91-V93 PolarHBondContact O-N 2.86Å; V93-G110 PolarHBondContact N-O 3Å; V93-G110 PolarHBondContact O-N 3.36Å; V93-G110 VanDerWaalsContact O-N 3.14Å; V93-V112 HydrophobicContact CG1-CB 4.2Å; V93-V112 HydrophobicContact CG1-CG1 4.08Å; V93-V112 HydrophobicContact CG2-CB 4.21Å; V93-V179 HydrophobicContact CG2-CB 4.35Å; V93-V179 HydrophobicContact CG2-CG1 3.62Å; V93-V179 HydrophobicContact CG2-CG2 3.84Å
94	C	98.8	Very high	95.9	Very high	26 Å²	26	47.2 Å²	47.2	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	169.9	179.1	0	0	0	0	110.1	S50 V108 E109	S50-C94 PolarHBondContact N-O 2.92Å; S50-C94 PolarHBondContact O-N 2.78Å; S50-C94 VanDerWaalsContact O-N 3.08Å; C94-V108 CarbonylContact C-O 3.53Å; C94-V108 VanDerWaalsContact CA-O 3.23Å; C94-V108 WeakPolarHBondContact CA-O 3.42Å; C94-E109 HydrophobicContact CB-CG 4.32Å
95	L	98.9	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.2	168.5	-49.7	174	0	0	0	109.4	M47 A48 L49 F73 F97 R107 V108 V179	M47-L95 HydrophobicContact CE-CD1 4.25Å; M47-L95 HydrophobicContact CE-CD2 3.96Å; M47-L95 HydrophobicContact SD-CB 4.36Å; M47-L95 HydrophobicContact SD-CD1 3.84Å; M47-L95 HydrophobicContact SD-CD2 3.93Å; M47-L95 HydrophobicContact SD-CG 4.27Å; A48-L95 CarbonylContact O-C 3.56Å; A48-L95 VanDerWaalsContact O-CA 3.3Å; A48-L95 WeakPolarHBondContact O-CA 3.22Å; L49-L95 HydrophobicContact CB-CD2 4.13Å; L49-L95 HydrophobicContact CD1-CD2 3.54Å; L49-L95 HydrophobicContact CG-CD2 4.4Å; F73-L95 HydrophobicContact CB-CD1 3.66Å; F73-L95 HydrophobicContact CD2-CD1 4.16Å; F73-L95 HydrophobicContact CG-CD1 3.9Å; L95-F97 HydrophobicContact CB-CE2 4.33Å; L95-R107 CarbonylContact O-C 3.49Å; L95-R107 VanDerWaalsContact O-CA 3.32Å; L95-R107 WeakPolarHBondContact O-CA 3.36Å; L95-V108 HydrophobicContact CB-CB 4.04Å; L95-V108 HydrophobicContact CB-CG2 4.46Å; L95-V108 HydrophobicContact CD1-CB 4.34Å; L95-V108 HydrophobicContact CG-CB 4.4Å; L95-V108 PolarHBondContact N-O 3.48Å; L95-V108 PolarHBondContact O-N 3.45Å; L95-V179 HydrophobicContact CD1-CB 3.99Å; L95-V179 HydrophobicContact CD1-CG1 4.04Å; L95-V179 HydrophobicContact CD1-CG2 4.04Å; L95-V179 HydrophobicContact CD2-CG2 4.26Å; L95-V179 HydrophobicContact CG-CG1 4.32Å; L95-V179 HydrophobicContact CG-CG2 4.38Å
96	T	98.7	Very high	95.8	Very high	42 Å²	42	42.4 Å²	42.4	26%	0.258	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.1	170.1	-54.1	0	0	0	0	109.9	M47 A48 T105 V106 R107	M47-T96 WeakPolarHBondContact CA-O 3.39Å; A48-T96 PolarHBondContact N-O 3.32Å; A48-T96 PolarHBondContact O-N 3.18Å; T96-T105 HydrophobicContact CG2-CG2 3.65Å; T96-V106 CarbonylContact C-O 3.59Å; T96-V106 WeakPolarHBondContact CA-O 3.33Å; T96-R107 HydrophobicContact CG2-CG 4.27Å
97	F	98.1	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	166.1	-60.4	-96.1	0	0	0	108.3	F26 M47 L65 F73 L95 W99 T105 V106 V108	F26-F97 HydrophobicContact CE2-CD1 4.31Å; F26-F97 AromaticContact CE2-CD2 3.92Å; F26-F97 HydrophobicContact CE2-CD2 3.92Å; F26-F97 HydrophobicContact CE2-CE1 4.14Å; F26-F97 AromaticContact CE2-CE2 3.76Å; F26-F97 HydrophobicContact CE2-CE2 3.76Å; F26-F97 HydrophobicContact CE2-CG 4.2Å; F26-F97 AromaticContact CE2-CZ 3.87Å; F26-F97 HydrophobicContact CE2-CZ 3.87Å; F26-F97 HydrophobicContact CZ-CD1 4.46Å; F26-F97 AromaticContact CZ-CE1 3.97Å; F26-F97 HydrophobicContact CZ-CE1 3.97Å; F26-F97 HydrophobicContact CZ-CE2 4.2Å; F26-F97 AromaticContact CZ-CZ 3.83Å; F26-F97 HydrophobicContact CZ-CZ 3.83Å; M47-F97 HydrophobicContact CB-CD1 3.78Å; M47-F97 HydrophobicContact CB-CD2 4.4Å; M47-F97 HydrophobicContact CB-CE1 3.63Å; M47-F97 HydrophobicContact CB-CE2 4.25Å; M47-F97 HydrophobicContact CB-CG 4.17Å; M47-F97 HydrophobicContact CB-CZ 3.88Å; M47-F97 HydrophobicContact CG-CE1 4.24Å; M47-F97 HydrophobicContact CG-CZ 4.26Å; M47-F97 HydrophobicContact SD-CE1 3.88Å; M47-F97 HydrophobicContact SD-CE2 4.08Å; M47-F97 HydrophobicContact SD-CZ 3.4Å; M47-F97 WeakPolarHBondContact SD-CZ 3.36Å; L65-F97 HydrophobicContact CB-CE1 4.13Å; L65-F97 HydrophobicContact CB-CZ 4.38Å; L65-F97 HydrophobicContact CD1-CZ 4.45Å; L65-F97 HydrophobicContact CD2-CE1 3.93Å; L65-F97 HydrophobicContact CD2-CZ 3.99Å; F73-F97 HydrophobicContact CD1-CE2 4.15Å; F73-F97 AromaticContact CD1-CZ 3.99Å; F73-F97 HydrophobicContact CD1-CZ 3.99Å; F73-F97 HydrophobicContact CE1-CE2 4.09Å; F73-F97 HydrophobicContact CE1-CZ 4.24Å; L95-F97 HydrophobicContact CB-CE2 4.33Å; F97-W99 HydrophobicContact CB-CD2 4.27Å; F97-W99 HydrophobicContact CB-CE3 4.45Å; F97-W99 HydrophobicContact CB-CH2 3.86Å; F97-W99 HydrophobicContact CB-CZ2 3.56Å; F97-W99 HydrophobicContact CB-CZ3 4.3Å; F97-W99 HydrophobicContact CD1-CH2 4.4Å; F97-W99 AromaticContact CD1-CZ2 3.67Å; F97-W99 HydrophobicContact CD1-CZ2 3.67Å; F97-W99 HydrophobicContact CG-CH2 4.17Å; F97-W99 AromaticContact CG-CZ2 3.82Å; F97-W99 HydrophobicContact CG-CZ2 3.82Å; F97-T105 CarbonylContact O-C 3.56Å; F97-T105 VanDerWaalsContact O-CA 3.24Å; F97-T105 WeakPolarHBondContact O-CA 3.49Å; F97-T105 WeakPolarHBondContact O-CG2 3.5Å; F97-V106 HydrophobicContact CB-CB 4.23Å; F97-V106 HydrophobicContact CD2-CB 4.21Å; F97-V106 HydrophobicContact CD2-CG1 4.47Å; F97-V106 PolarHBondContact N-O 2.93Å; F97-V106 PolarHBondContact O-N 2.83Å; F97-V108 HydrophobicContact CE2-CG2 4.45Å
98	Y	95.3	Very high	95.8	Very high	140 Å²	140	45.3 Å²	45.3	55%	0.549	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.5	178.2	177.3	-122	0	0	0	109.8	P100	Y98-P100 HydrophobicContact CE1-CB 4.09Å; Y98-P100 HydrophobicContact CE1-CG 4.31Å; Y98-P100 WeakPolarHBondContact O-CD 3.48Å
99	W	92.8	Very high	95.9	Very high	9 Å²	9	40.1 Å²	40.1	3%	0.034	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	86.8	-174.1	-57.8	-57.8	0	0	0	110.2	F26 W29 F30 L33 V44 F97 S101 M102 N103 R104 V106	F26-W99 HydrophobicContact CD2-CH2 4.4Å; F26-W99 AromaticContact CE2-CH2 3.82Å; F26-W99 HydrophobicContact CE2-CH2 3.82Å; F26-W99 HydrophobicContact CE2-CZ2 4.31Å; F26-W99 HydrophobicContact CZ-CH2 4.48Å; W29-W99 HydrophobicContact CB-CZ3 4.47Å; W29-W99 HydrophobicContact CE3-CZ3 4.16Å; F30-W99 HydrophobicContact CD2-CH2 4.42Å; F30-W99 AromaticContact CD2-CZ2 3.93Å; F30-W99 HydrophobicContact CD2-CZ2 3.93Å; F30-W99 HydrophobicContact CE2-CZ2 4.49Å; L33-W99 HydrophobicContact CD1-CB 3.96Å; L33-W99 HydrophobicContact CD1-CD2 3.09Å; L33-W99 HydrophobicContact CD1-CE3 3.15Å; L33-W99 HydrophobicContact CD1-CG 3.47Å; L33-W99 VanDerWaalsContact CD1-CG 3.47Å; L33-W99 HydrophobicContact CD1-CH2 3.93Å; L33-W99 HydrophobicContact CD1-CZ2 3.93Å; L33-W99 HydrophobicContact CD1-CZ3 3.55Å; L33-W99 HydrophobicContact CD2-CB 3.69Å; L33-W99 HydrophobicContact CD2-CD2 4.43Å; L33-W99 HydrophobicContact CD2-CG 3.92Å; L33-W99 HydrophobicContact CG-CD2 4.36Å; L33-W99 HydrophobicContact CG-CG 4.35Å; V44-W99 PolarHBondContact O-NE1 3.01Å; F97-W99 HydrophobicContact CB-CD2 4.27Å; F97-W99 HydrophobicContact CB-CE3 4.45Å; F97-W99 HydrophobicContact CB-CH2 3.86Å; F97-W99 HydrophobicContact CB-CZ2 3.56Å; F97-W99 HydrophobicContact CB-CZ3 4.3Å; F97-W99 HydrophobicContact CD1-CH2 4.4Å; F97-W99 AromaticContact CD1-CZ2 3.67Å; F97-W99 HydrophobicContact CD1-CZ2 3.67Å; F97-W99 HydrophobicContact CG-CH2 4.17Å; F97-W99 AromaticContact CG-CZ2 3.82Å; F97-W99 HydrophobicContact CG-CZ2 3.82Å; W99-S101 VanDerWaalsContact C-N 3.29Å; W99-S101 PolarHBondContact O-N 3.14Å; W99-M102 PolarHBondContact O-N 2.91Å; W99-N103 PolarHBondContact O-N 3.08Å; W99-N103 VanDerWaalsContact O-N 3.09Å; W99-R104 HydrophobicContact CE3-CB 4Å; W99-R104 PolarHBondContact N-O 3.04Å; W99-R104 PolarHBondContact O-N 2.81Å; W99-R104 VanDerWaalsContact O-N 3.12Å; W99-V106 HydrophobicContact CE3-CG2 4.42Å; W99-V106 HydrophobicContact CH2-CG2 3.97Å; W99-V106 HydrophobicContact CZ3-CB 4.31Å; W99-V106 HydrophobicContact CZ3-CG2 3.48Å; W99-V106 VanDerWaalsContact CZ3-CG2 3.48Å
100	P	88.7	Confident	95.9	Very high	65 Å²	65	37.5 Å²	37.5	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.2	-172.5	25.5	-34.4	0	0	0	113.6	Y98 M102 N103	Y98-P100 HydrophobicContact CE1-CB 4.09Å; Y98-P100 HydrophobicContact CE1-CG 4.31Å; Y98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-M102 VanDerWaalsContact C-N 3.27Å; P100-M102 PolarHBondContact O-N 2.68Å; P100-N103 PolarHBondContact O-N 2.85Å; P100-N103 PolarHBondContact O-OD1 2.81Å
101	S	85.9	Confident	95.9	Very high	43 Å²	43	38.4 Å²	38.4	30%	0.301	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.7	176.1	42.9	0	0	0	0	113	E42 W99	E42-S101 WeakPolarHBondContact OE1-CB 3.48Å; E42-S101 PolarHBondContact OE1-OG 3.31Å; E42-S101 PolarHBondContact OE2-OG 3.18Å; W99-S101 VanDerWaalsContact C-N 3.29Å; W99-S101 PolarHBondContact O-N 3.14Å
102	M	88.7	Confident	95.9	Very high	41 Å²	41	36.6 Å²	36.6	20%	0.202	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-1.7	179.9	-63.8	-64	-76.7	0	0	113.3	E32 L33 V36 W99 P100 R104 Q188	E32-M102 HydrophobicContact CG-CE 4.16Å; E32-M102 WeakPolarHBondContact OE1-CE 3.41Å; L33-M102 HydrophobicContact CD2-CB 3.94Å; L33-M102 HydrophobicContact CD2-CG 3.31Å; L33-M102 HydrophobicContact CG-CG 4.08Å; V36-M102 HydrophobicContact CG2-CG 4.38Å; V36-M102 HydrophobicContact CG2-SD 4.01Å; W99-M102 PolarHBondContact O-N 2.91Å; P100-M102 VanDerWaalsContact C-N 3.27Å; P100-M102 PolarHBondContact O-N 2.68Å; M102-R104 VanDerWaalsContact C-N 3.27Å; M102-R104 HydrophobicContact CB-CB 4.38Å; M102-R104 HydrophobicContact CB-CG 4.09Å; M102-R104 PolarHBondContact O-N 3.13Å; M102-Q188 PolarHBondContact O-NE2 2.86Å
103	N	91.1	Very high	95.9	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	44.7	-172.6	-43.7	-61.6	0	0	0	111.5	Y5 W99 P100 W187 Q188 G189	Y5-N103 HydrophobicContact CD1-CB 3.67Å; Y5-N103 WeakPolarHBondContact CD1-OD1 3.39Å; Y5-N103 HydrophobicContact CE1-CB 3.85Å; Y5-N103 WeakPolarHBondContact CE1-OD1 3.44Å; Y5-N103 HydrophobicContact CG-CB 4.15Å; W99-N103 PolarHBondContact O-N 3.08Å; W99-N103 VanDerWaalsContact O-N 3.09Å; P100-N103 PolarHBondContact O-N 2.85Å; P100-N103 PolarHBondContact O-OD1 2.81Å; N103-W187 WeakPolarHBondContact O-CZ3 3.38Å; N103-Q188 PolarHBondContact O-NE2 3.04Å; N103-G189 PolarHBondContact O-N 3.15Å
104	R	93.7	Very high	95.9	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.057	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.5	-177.3	-75.2	175.1	-178.9	173.3	7.7	111.2	W29 E32 W99 M102 W187 Q188	W29-R104 HydrophobicContact CE3-CB 3.99Å; W29-R104 HydrophobicContact CE3-CG 3.95Å; W29-R104 HydrophobicContact CH2-CB 4.35Å; W29-R104 HydrophobicContact CH2-CG 3.81Å; W29-R104 HydrophobicContact CZ2-CG 4.39Å; W29-R104 HydrophobicContact CZ3-CB 3.66Å; W29-R104 HydrophobicContact CZ3-CG 3.57Å; E32-R104 IonicContact OE1-CZ 2.75Å; E32-R104 IonicContact OE1-NH1 3.99Å; E32-R104 IonicContact OE1-NH2 2.83Å; E32-R104 PolarHBondContact OE1-NH2 3.17Å; E32-R104 IonicContact OE2-CZ 3.93Å; E32-R104 IonicContact OE2-NH1 3Å; E32-R104 PolarHBondContact OE2-NH1 3.5Å; E32-R104 IonicContact OE2-NH2 3.81Å; E32-R104 PolarHBondContact OE2-NH2 2.62Å; W99-R104 HydrophobicContact CE3-CB 4Å; W99-R104 PolarHBondContact N-O 3.04Å; W99-R104 PolarHBondContact O-N 2.81Å; W99-R104 VanDerWaalsContact O-N 3.12Å; M102-R104 VanDerWaalsContact C-N 3.27Å; M102-R104 HydrophobicContact CB-CB 4.38Å; M102-R104 HydrophobicContact CB-CG 4.09Å; M102-R104 PolarHBondContact O-N 3.13Å; R104-W187 WeakPolarHBondContact CA-O 3.25Å; R104-Q188 VanDerWaalsContact CG-OE1 3.22Å
105	T	96.6	Very high	95.9	Very high	24 Å²	24	39.5 Å²	39.5	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.8	168.3	-47.4	0	0	0	0	108.4	T96 F97 W187	T96-T105 HydrophobicContact CG2-CG2 3.65Å; F97-T105 CarbonylContact O-C 3.56Å; F97-T105 VanDerWaalsContact O-CA 3.24Å; F97-T105 WeakPolarHBondContact O-CA 3.49Å; F97-T105 WeakPolarHBondContact O-CG2 3.5Å; T105-W187 PolarHBondContact N-O 3.14Å; T105-W187 PolarHBondContact O-N 2.92Å
106	V	98.5	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.9	167.2	179.9	0	0	0	0	108.5	F26 W29 T96 F97 W99 V108 V184 E185 F186	F26-V106 HydrophobicContact CD2-CG1 4.15Å; W29-V106 HydrophobicContact CE3-CG2 3.76Å; W29-V106 HydrophobicContact CZ3-CG2 4.08Å; T96-V106 CarbonylContact C-O 3.59Å; T96-V106 WeakPolarHBondContact CA-O 3.33Å; F97-V106 HydrophobicContact CB-CB 4.23Å; F97-V106 HydrophobicContact CD2-CB 4.21Å; F97-V106 HydrophobicContact CD2-CG1 4.47Å; F97-V106 PolarHBondContact N-O 2.93Å; F97-V106 PolarHBondContact O-N 2.83Å; W99-V106 HydrophobicContact CE3-CG2 4.42Å; W99-V106 HydrophobicContact CH2-CG2 3.97Å; W99-V106 HydrophobicContact CZ3-CB 4.31Å; W99-V106 HydrophobicContact CZ3-CG2 3.48Å; W99-V106 VanDerWaalsContact CZ3-CG2 3.48Å; V106-V108 HydrophobicContact CG1-CG2 4.23Å; V106-V184 HydrophobicContact CG1-CG1 3.84Å; V106-E185 CarbonylContact C-O 3.58Å; V106-E185 VanDerWaalsContact CA-O 3.31Å; V106-E185 WeakPolarHBondContact CA-O 3.36Å; V106-F186 HydrophobicContact CG1-CE1 4.23Å; V106-F186 HydrophobicContact CG1-CZ 4.45Å; V106-F186 HydrophobicContact CG2-CD1 3.71Å; V106-F186 HydrophobicContact CG2-CE1 3.81Å
107	R	98.8	Very high	95.8	Very high	81 Å²	81	44.8 Å²	44.8	31%	0.306	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.9	170.9	-66.3	168.8	55.9	-159.8	-1	109.3	L95 T96 E109 V184 E185	L95-R107 CarbonylContact O-C 3.49Å; L95-R107 VanDerWaalsContact O-CA 3.32Å; L95-R107 WeakPolarHBondContact O-CA 3.36Å; T96-R107 HydrophobicContact CG2-CG 4.27Å; R107-E109 IonicContact CZ-OE1 3.62Å; R107-E109 IonicContact NH2-OE1 3.77Å; R107-E109 PolarHBondContact NH2-OE1 3.19Å; R107-V184 CarbonylContact O-C 3.5Å; R107-V184 VanDerWaalsContact O-CA 3.26Å; R107-V184 WeakPolarHBondContact O-CA 3.46Å; R107-V184 WeakPolarHBondContact O-CG1 3.49Å; R107-E185 HydrophobicContact CB-CB 4.19Å; R107-E185 IonicContact CZ-OE2 2.68Å; R107-E185 PolarHBondContact N-O 2.8Å; R107-E185 IonicContact NE-OE2 3.45Å; R107-E185 IonicContact NH1-OE2 3.28Å; R107-E185 PolarHBondContact NH1-OE2 3.14Å; R107-E185 PolarHBondContact O-N 2.82Å
108	V	98.8	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.3	176.4	-178.7	0	0	0	0	107.6	F73 C94 L95 F97 V106 V179 P181 V184	F73-V108 HydrophobicContact CD2-CG1 3.91Å; F73-V108 HydrophobicContact CD2-CG2 4.19Å; F73-V108 HydrophobicContact CE1-CG2 4.36Å; F73-V108 HydrophobicContact CE2-CB 4.22Å; F73-V108 HydrophobicContact CE2-CG1 3.67Å; F73-V108 HydrophobicContact CE2-CG2 3.54Å; F73-V108 HydrophobicContact CZ-CG2 3.63Å; C94-V108 CarbonylContact C-O 3.53Å; C94-V108 VanDerWaalsContact CA-O 3.23Å; C94-V108 WeakPolarHBondContact CA-O 3.42Å; L95-V108 HydrophobicContact CB-CB 4.04Å; L95-V108 HydrophobicContact CB-CG2 4.46Å; L95-V108 HydrophobicContact CD1-CB 4.34Å; L95-V108 HydrophobicContact CG-CB 4.4Å; L95-V108 PolarHBondContact N-O 3.48Å; L95-V108 PolarHBondContact O-N 3.45Å; F97-V108 HydrophobicContact CE2-CG2 4.45Å; V106-V108 HydrophobicContact CG1-CG2 4.23Å; V108-V179 HydrophobicContact CG1-CG1 4.44Å; V108-P181 HydrophobicContact CG1-CB 3.89Å; V108-V184 HydrophobicContact CG1-CG2 4.3Å; V108-V184 HydrophobicContact CG2-CG1 4.18Å; V108-V184 HydrophobicContact CG2-CG2 4.42Å
109	E	98.7	Very high	95.9	Very high	71 Å²	71	47.1 Å²	47.1	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.8	172.9	-61.9	-177.7	-166.6	0	0	109	C94 R107 A182 E183	C94-E109 HydrophobicContact CB-CG 4.32Å; R107-E109 IonicContact CZ-OE1 3.62Å; R107-E109 IonicContact NH2-OE1 3.77Å; R107-E109 PolarHBondContact NH2-OE1 3.19Å; E109-A182 PolarHBondContact O-N 3.21Å; E109-E183 HydrophobicContact CB-CB 4.3Å; E109-E183 PolarHBondContact N-O 2.72Å; E109-E183 PolarHBondContact O-N 3.02Å
110	G	98.1	Very high	96.1	Very high	9 Å²	9	46.8 Å²	46.8	9%	0.093	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-163.9	-174.6	0	0	0	0	0	113.8	N92 V93 K180	N92-G110 WeakPolarHBondContact CA-O 3.31Å; V93-G110 PolarHBondContact N-O 3Å; V93-G110 PolarHBondContact O-N 3.36Å; V93-G110 VanDerWaalsContact O-N 3.14Å; G110-K180 VanDerWaalsContact CA-O 3.27Å; G110-K180 WeakPolarHBondContact CA-O 3.41Å
111	T	98.5	Very high	96.6	Very high	61 Å²	61	46.5 Å²	46.5	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.7	-179.9	56.6	0	0	0	0	111.2	P91 V179 K180	P91-T111 CarbonylContact O-C 3.57Å; P91-T111 VanDerWaalsContact O-CA 3.26Å; P91-T111 WeakPolarHBondContact O-CA 3.43Å; T111-V179 CarbonylContact O-C 3.45Å; T111-V179 WeakPolarHBondContact O-CA 3.35Å; T111-K180 PolarHBondContact N-O 3.1Å; T111-K180 VanDerWaalsContact N-O 3.17Å; T111-K180 PolarHBondContact O-N 2.96Å
112	V	98.6	Very high	97.2	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.097	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.4	176.6	73.8	0	0	0	0	112	F75 M87 P91 V93 Y177 L178 V179	F75-V112 HydrophobicContact CE1-CG2 4.37Å; M87-V112 HydrophobicContact CB-CG1 3.73Å; M87-V112 HydrophobicContact CG-CG1 3.83Å; M87-V112 HydrophobicContact SD-CB 4.33Å; M87-V112 HydrophobicContact SD-CG1 3.87Å; M87-V112 HydrophobicContact SD-CG2 4.08Å; P91-V112 HydrophobicContact CB-CG1 4.3Å; P91-V112 PolarHBondContact O-N 3.14Å; V93-V112 HydrophobicContact CG1-CB 4.2Å; V93-V112 HydrophobicContact CG1-CG1 4.08Å; V93-V112 HydrophobicContact CG2-CB 4.21Å; V112-Y177 HydrophobicContact CG2-CD1 3.69Å; V112-Y177 HydrophobicContact CG2-CG 4.04Å; V112-L178 CarbonylContact C-O 3.49Å; V112-L178 WeakPolarHBondContact CA-O 3.43Å; V112-V179 HydrophobicContact CG2-CG2 4.18Å
113	E	98.4	Very high	97.6	Very high	77 Å²	77	49.6 Å²	49.6	36%	0.36	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160.8	168.4	67.8	-176	-169.9	0	0	111.4	Y177 L178 K180	E113-Y177 CarbonylContact O-C 3.58Å; E113-Y177 VanDerWaalsContact O-CA 3.25Å; E113-Y177 WeakPolarHBondContact O-CA 3.28Å; E113-L178 HydrophobicContact CG-CB 4.06Å; E113-L178 HydrophobicContact CG-CD2 4.49Å; E113-L178 PolarHBondContact N-O 3.38Å; E113-L178 PolarHBondContact O-N 3.26Å; E113-K180 WeakPolarHBondContact OE1-CE 2.97Å; E113-K180 IonicContact OE1-NZ 3.35Å; E113-K180 PolarHBondContact OE1-NZ 3.3Å; E113-K180 WeakPolarHBondContact OE2-CE 3.22Å; E113-K180 IonicContact OE2-NZ 3.63Å; E113-K180 PolarHBondContact OE2-NZ 3.3Å
114	I	98.6	Very high	97.9	Very high	95 Å²	95	48.6 Å²	48.6	49%	0.487	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131	174.3	-67.3	173.8	0	0	0	108.5	T79 V175 G176 Y177	T79-I114 HydrophobicContact CG2-CD1 4.26Å; I114-V175 HydrophobicContact CD1-CG2 4.36Å; I114-V175 HydrophobicContact CG1-CG2 4.24Å; I114-V175 HydrophobicContact CG2-CB 4.03Å; I114-V175 HydrophobicContact CG2-CG1 4.26Å; I114-V175 HydrophobicContact CG2-CG2 4.45Å; I114-G176 WeakPolarHBondContact CA-O 3.36Å; I114-Y177 HydrophobicContact CD1-CE1 4.34Å; I114-Y177 HydrophobicContact CG1-CD1 4.01Å; I114-Y177 HydrophobicContact CG1-CE1 3.74Å
115	I	98.2	Very high	98.1	Very high	18 Å²	18	52.7 Å²	52.7	9%	0.092	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.1	170.6	175.2	72.4	179.7	0	0	0	111.1	T74 Y76 E119 G176 L178	T74-I115 HydrophobicContact CG2-CD1 4.28Å; T74-I115 HydrophobicContact CG2-CG2 4.48Å; Y76-I115 HydrophobicContact CE1-CD1 3.85Å; I115-E119 HydrophobicContact CD1-CB 3.79Å; I115-E119 HydrophobicContact CG1-CB 4.21Å; I115-G176 PolarHBondContact N-O 3.25Å; I115-L178 HydrophobicContact CG2-CB 3.77Å
116	S	97.8	Very high	98.1	Very high	56 Å²	56	55.6 Å²	55.6	39%	0.392	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-61.9	148.9	-180	69.8	0	0	0	0	112.5	S118 E119 A120	S116-S118 PolarHBondContact O-N 2.75Å; S116-E119 WeakPolarHBondContact CB-OE2 3.26Å; S116-E119 PolarHBondContact N-OE2 2.79Å; S116-E119 VanDerWaalsContact N-OE2 3.14Å; S116-E119 PolarHBondContact O-N 2.78Å; S116-E119 WeakPolarHBondContact OG-CB 3.32Å; S116-E119 WeakPolarHBondContact OG-CG 3.41Å; S116-E119 PolarHBondContact OG-N 3.06Å; S116-E119 PolarHBondContact OG-OE2 2.67Å; S116-A120 PolarHBondContact O-N 3.2Å
117	D	98.1	Very high	97.9	Very high	98 Å²	98	57.9 Å²	57.9	52%	0.524	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-37.5	174.8	-86.7	-37.8	0	0	0	111.7	E119 A120 D121 R170	D117-E119 PolarHBondContact O-N 3.41Å; D117-A120 CarbonylContact O-C 3.31Å; D117-A120 PolarHBondContact O-N 3.02Å; D117-D121 WeakPolarHBondContact O-CB 3.27Å; D117-D121 VanDerWaalsContact O-CG 3.23Å; D117-D121 PolarHBondContact O-N 2.77Å; D117-D121 VanDerWaalsContact O-OD2 3.06Å; D117-R170 PolarHBondContact O-NH2 2.84Å; D117-R170 IonicContact OD1-CZ 3.24Å; D117-R170 IonicContact OD1-NH1 2.74Å; D117-R170 PolarHBondContact OD1-NH1 3.36Å; D117-R170 VanDerWaalsContact OD1-NH1 3.14Å; D117-R170 IonicContact OD1-NH2 3.04Å; D117-R170 PolarHBondContact OD1-NH2 3.38Å
118	S	97.9	Very high	97.8	Very high	83 Å²	83	58.1 Å²	58.1	58%	0.58	33%	0.326	S	S	*	.	H	α-helix	trans	-60.6	-45.9	176.8	-178.6	0	0	0	0	112	S116 A120 D121 T122	S116-S118 PolarHBondContact O-N 2.75Å; S118-A120 VanDerWaalsContact C-N 3.33Å; S118-D121 PolarHBondContact O-N 2.8Å; S118-T122 PolarHBondContact O-N 2.85Å; S118-T122 PolarHBondContact O-OG1 2.98Å; S118-T122 VanDerWaalsContact O-OG1 3.1Å
119	E	97.1	Very high	97.7	Very high	106 Å²	106	61.2 Å²	61.2	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-40.3	175.7	-71.8	167.9	109.4	0	0	111.6	I115 S116 D117 T122 Y123	I115-E119 HydrophobicContact CD1-CB 3.79Å; I115-E119 HydrophobicContact CG1-CB 4.21Å; S116-E119 WeakPolarHBondContact CB-OE2 3.26Å; S116-E119 PolarHBondContact N-OE2 2.79Å; S116-E119 VanDerWaalsContact N-OE2 3.14Å; S116-E119 PolarHBondContact O-N 2.78Å; S116-E119 WeakPolarHBondContact OG-CB 3.32Å; S116-E119 WeakPolarHBondContact OG-CG 3.41Å; S116-E119 PolarHBondContact OG-N 3.06Å; S116-E119 PolarHBondContact OG-OE2 2.67Å; D117-E119 PolarHBondContact O-N 3.41Å; E119-T122 PolarHBondContact O-N 2.87Å; E119-Y123 PolarHBondContact O-N 3.25Å
120	A	98.1	Very high	97.5	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-38.6	177	0	0	0	0	0	112.6	S116 D117 S118 W124	S116-A120 PolarHBondContact O-N 3.2Å; D117-A120 CarbonylContact O-C 3.31Å; D117-A120 PolarHBondContact O-N 3.02Å; S118-A120 VanDerWaalsContact C-N 3.33Å; A120-W124 VanDerWaalsContact O-CB 3.24Å; A120-W124 WeakPolarHBondContact O-CB 3.49Å; A120-W124 PolarHBondContact O-N 3.48Å
121	D	98.2	Very high	97.4	Very high	59 Å²	59	64.6 Å²	64.6	32%	0.316	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-45.6	175.8	-74.1	-37.2	0	0	0	111.7	D117 S118 Y123 W124 N125 R170	D117-D121 WeakPolarHBondContact O-CB 3.27Å; D117-D121 VanDerWaalsContact O-CG 3.23Å; D117-D121 PolarHBondContact O-N 2.77Å; D117-D121 VanDerWaalsContact O-OD2 3.06Å; S118-D121 PolarHBondContact O-N 2.8Å; D121-Y123 VanDerWaalsContact C-N 3.33Å; D121-Y123 PolarHBondContact O-N 2.85Å; D121-W124 PolarHBondContact O-N 3.09Å; D121-N125 WeakPolarHBondContact O-CB 3.35Å; D121-N125 VanDerWaalsContact O-CG 3.26Å; D121-N125 PolarHBondContact O-N 2.93Å; D121-N125 PolarHBondContact O-ND2 2.65Å; D121-N125 VanDerWaalsContact O-ND2 3.09Å; D121-R170 IonicContact OD1-CZ 2.68Å; D121-R170 IonicContact OD1-NE 3.39Å; D121-R170 PolarHBondContact OD1-NE 3.04Å; D121-R170 IonicContact OD1-NH2 3.53Å; D121-R170 PolarHBondContact OD1-NH2 2.95Å; D121-R170 IonicContact OD2-NH2 3.55Å; D121-R170 PolarHBondContact OD2-NH2 3.42Å
122	T	97.8	Very high	97.4	Very high	98 Å²	98	62.3 Å²	62.3	60%	0.601	35%	0.348	S	S	*	.	H	α-helix	trans	-56.1	-49.3	175	-63.1	0	0	0	0	110.9	S118 E119 S126	S118-T122 PolarHBondContact O-N 2.85Å; S118-T122 PolarHBondContact O-OG1 2.98Å; S118-T122 VanDerWaalsContact O-OG1 3.1Å; E119-T122 PolarHBondContact O-N 2.87Å; T122-S126 PolarHBondContact O-N 3.03Å
123	Y	97.6	Very high	97.3	Very high	52 Å²	52	61.6 Å²	61.6	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-65.8	-43.7	177.7	-177.9	-92.7	0	0	0	112.1	K66 Y76 E119 D121 N125 S126 R127 W174	K66-Y123 HydrophobicContact CB-CE2 4.11Å; K66-Y123 HydrophobicContact CD-CE2 4.43Å; K66-Y123 WeakPolarHBondContact CD-OH 3.47Å; K66-Y123 WeakPolarHBondContact CE-OH 3.38Å; K66-Y123 HydrophobicContact CG-CE2 4.23Å; Y76-Y123 AromaticContact CD1-CD1 3.86Å; Y76-Y123 HydrophobicContact CD1-CD1 3.86Å; Y76-Y123 HydrophobicContact CD1-CE1 4.36Å; Y76-Y123 HydrophobicContact CD1-CG 4.46Å; Y76-Y123 AromaticContact CD2-CD1 3.74Å; Y76-Y123 HydrophobicContact CD2-CD1 3.74Å; Y76-Y123 AromaticContact CD2-CE1 3.61Å; Y76-Y123 HydrophobicContact CD2-CE1 3.61Å; Y76-Y123 HydrophobicContact CD2-CE2 4.45Å; Y76-Y123 HydrophobicContact CD2-CG 4.19Å; Y76-Y123 AromaticContact CE1-CD1 3.69Å; Y76-Y123 HydrophobicContact CE1-CD1 3.69Å; Y76-Y123 AromaticContact CE1-CG 3.83Å; Y76-Y123 HydrophobicContact CE1-CG 3.83Å; Y76-Y123 AromaticContact CE2-CD1 3.56Å; Y76-Y123 HydrophobicContact CE2-CD1 3.56Å; Y76-Y123 AromaticContact CE2-CD2 3.74Å; Y76-Y123 HydrophobicContact CE2-CD2 3.74Å; Y76-Y123 AromaticContact CE2-CE1 3.78Å; Y76-Y123 HydrophobicContact CE2-CE1 3.78Å; Y76-Y123 AromaticContact CE2-CE2 3.98Å; Y76-Y123 HydrophobicContact CE2-CE2 3.98Å; Y76-Y123 AromaticContact CE2-CG 3.52Å; Y76-Y123 HydrophobicContact CE2-CG 3.52Å; Y76-Y123 AromaticContact CG-CD1 3.87Å; Y76-Y123 HydrophobicContact CG-CD1 3.87Å; Y76-Y123 AromaticContact CG-CE1 3.91Å; Y76-Y123 HydrophobicContact CG-CE1 3.91Å; Y76-Y123 VanDerWaalsContact CZ-CB 3.47Å; Y76-Y123 AromaticContact CZ-CD1 3.53Å; Y76-Y123 AromaticContact CZ-CD2 3.89Å; Y76-Y123 AromaticContact CZ-CG 3.31Å; Y76-Y123 WeakPolarHBondContact OH-CB 3.2Å; E119-Y123 PolarHBondContact O-N 3.25Å; D121-Y123 VanDerWaalsContact C-N 3.33Å; D121-Y123 PolarHBondContact O-N 2.85Å; Y123-N125 VanDerWaalsContact C-N 3.31Å; Y123-N125 PolarHBondContact O-N 2.86Å; Y123-S126 PolarHBondContact O-N 2.81Å; Y123-S126 VanDerWaalsContact O-N 3.13Å; Y123-S126 PolarHBondContact O-OG 2.92Å; Y123-R127 HydrophobicContact CD1-CG 4.29Å; Y123-R127 HydrophobicContact CE1-CG 3.93Å; Y123-R127 WeakPolarHBondContact O-CG 3.25Å; Y123-R127 PolarHBondContact O-N 2.79Å; Y123-W174 AromaticContact CD1-CH2 3.54Å; Y123-W174 HydrophobicContact CD1-CH2 3.54Å; Y123-W174 HydrophobicContact CD1-CZ3 4.17Å; Y123-W174 AromaticContact CE1-CH2 3.73Å; Y123-W174 HydrophobicContact CE1-CH2 3.73Å; Y123-W174 HydrophobicContact CE1-CZ2 4.4Å
124	W	98.1	Very high	97.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-54.1	-48.5	177.6	175.6	-93.4	0	0	0	112.1	A120 D121 S126 R127 Q132 A135 I168 R170 P171 W174	A120-W124 VanDerWaalsContact O-CB 3.24Å; A120-W124 WeakPolarHBondContact O-CB 3.49Å; A120-W124 PolarHBondContact O-N 3.48Å; D121-W124 PolarHBondContact O-N 3.09Å; W124-S126 PolarHBondContact O-N 3.35Å; W124-R127 WeakPolarHBondContact O-CB 3.19Å; W124-R127 PolarHBondContact O-N 2.83Å; W124-Q132 HydrophobicContact CD2-CG 4.34Å; W124-Q132 HydrophobicContact CH2-CB 4.22Å; W124-Q132 WeakPolarHBondContact CH2-O 3.45Å; W124-Q132 HydrophobicContact CZ2-CB 3.68Å; W124-Q132 HydrophobicContact CZ2-CG 4.02Å; W124-Q132 PolarHBondContact O-NE2 3.43Å; W124-A135 HydrophobicContact CH2-CB 3.94Å; W124-A135 HydrophobicContact CZ3-CB 3.87Å; W124-I168 HydrophobicContact CZ2-CG2 4.08Å; W124-I168 PolarHBondContact NE1-O 3.15Å; W124-R170 HydrophobicContact CB-CB 4.13Å; W124-R170 HydrophobicContact CB-CG 4.16Å; W124-R170 HydrophobicContact CD2-CB 3.79Å; W124-R170 HydrophobicContact CD2-CG 3.86Å; W124-R170 HydrophobicContact CE3-CB 4.35Å; W124-R170 HydrophobicContact CE3-CG 3.92Å; W124-R170 HydrophobicContact CG-CB 3.64Å; W124-R170 HydrophobicContact CG-CG 3.95Å; W124-P171 HydrophobicContact CH2-CG 4.17Å; W124-W174 HydrophobicContact CB-CZ3 4.42Å; W124-W174 AromaticContact CE3-CD2 3.66Å; W124-W174 HydrophobicContact CE3-CD2 3.66Å; W124-W174 AromaticContact CE3-CE2 3.96Å; W124-W174 AromaticContact CE3-CE3 3.72Å; W124-W174 HydrophobicContact CE3-CE3 3.72Å; W124-W174 HydrophobicContact CE3-CG 4.13Å; W124-W174 HydrophobicContact CE3-CH2 4.36Å; W124-W174 HydrophobicContact CE3-CZ2 4.31Å; W124-W174 HydrophobicContact CE3-CZ3 4.07Å; W124-W174 HydrophobicContact CZ3-CB 4.41Å; W124-W174 AromaticContact CZ3-CD1 3.94Å; W124-W174 AromaticContact CZ3-CD2 3.76Å; W124-W174 HydrophobicContact CZ3-CD2 3.76Å; W124-W174 AromaticContact CZ3-CE2 3.92Å; W124-W174 HydrophobicContact CZ3-CE3 4.3Å; W124-W174 AromaticContact CZ3-CG 3.79Å; W124-W174 HydrophobicContact CZ3-CG 3.79Å
125	N	96.9	Very high	97.1	Very high	101 Å²	101	57 Å²	57	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-24.2	-178	-70.1	-32	0	0	0	112.9	D121 Y123 R127	D121-N125 WeakPolarHBondContact O-CB 3.35Å; D121-N125 VanDerWaalsContact O-CG 3.26Å; D121-N125 PolarHBondContact O-N 2.93Å; D121-N125 PolarHBondContact O-ND2 2.65Å; D121-N125 VanDerWaalsContact O-ND2 3.09Å; Y123-N125 VanDerWaalsContact C-N 3.31Å; Y123-N125 PolarHBondContact O-N 2.86Å; N125-R127 VanDerWaalsContact C-N 3.34Å
126	S	96.5	Very high	97	Very high	85 Å²	85	60.1 Å²	60.1	59%	0.594	34%	0.341	S	S	*	.	H	α-helix	trans	-77.1	-15.6	173.5	77.5	0	0	0	0	114.5	T122 Y123 W124	T122-S126 PolarHBondContact O-N 3.03Å; Y123-S126 PolarHBondContact O-N 2.81Å; Y123-S126 VanDerWaalsContact O-N 3.13Å; Y123-S126 PolarHBondContact O-OG 2.92Å; W124-S126 PolarHBondContact O-N 3.35Å
127	R	96.3	Very high	96.8	Very high	48 Å²	48	57.6 Å²	57.6	18%	0.181	32%	0.323	C	S	.	.	S	Bend	trans	-73	148	-176.7	-62.2	179.4	69.6	-156.4	-5.3	110.6	Y123 W124 N125 V129 S131 Q132 W174	Y123-R127 HydrophobicContact CD1-CG 4.29Å; Y123-R127 HydrophobicContact CE1-CG 3.93Å; Y123-R127 WeakPolarHBondContact O-CG 3.25Å; Y123-R127 PolarHBondContact O-N 2.79Å; W124-R127 WeakPolarHBondContact O-CB 3.19Å; W124-R127 PolarHBondContact O-N 2.83Å; N125-R127 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 3.46Å; R127-S131 PolarHBondContact NH2-O 2.89Å; R127-Q132 HydrophobicContact CB-CG 3.99Å; R127-Q132 PolarHBondContact O-NE2 3.12Å; R127-W174 VanDerWaalsContact NH1-CZ2 3.34Å
128	P	95.9	Very high	96.5	Very high	87 Å²	87	55.3 Å²	55.3	57%	0.565	32%	0.315	S	S	*	.			trans	-55.3	143.3	171	-24.7	33.5	0	0	0	111.7	Q130 S131 Q132	P128-Q130 PolarHBondContact O-N 3.27Å; P128-Q130 VanDerWaalsContact O-N 3.13Å; P128-S131 WeakPolarHBondContact O-CA 3.23Å; P128-S131 WeakPolarHBondContact O-CB 3.32Å; P128-S131 PolarHBondContact O-N 3.31Å; P128-Q132 PolarHBondContact O-N 2.82Å
129	V	95.7	Very high	96.4	Very high	65 Å²	65	57.9 Å²	57.9	39%	0.394	31%	0.313	S	S	.	.	H	α-helix	trans	-53.3	-39	-179.7	175	0	0	0	0	112	R127 S131 Q132 A133 T162 I168	R127-V129 PolarHBondContact O-N 3.46Å; V129-S131 VanDerWaalsContact C-N 3.28Å; V129-S131 PolarHBondContact O-N 3.13Å; V129-Q132 PolarHBondContact O-N 3.36Å; V129-A133 WeakPolarHBondContact O-CB 3.3Å; V129-A133 PolarHBondContact O-N 3.39Å; V129-T162 HydrophobicContact CG1-CG2 4.21Å; V129-T162 WeakPolarHBondContact CG1-OG1 3.24Å; V129-I168 HydrophobicContact CG1-CD1 4.1Å
130	Q	95.5	Very high	96.3	Very high	105 Å²	105	56.1 Å²	56.1	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-56.9	-41.6	174.3	-174.6	70.7	17.5	0	0	112.5	P128 S134	P128-Q130 PolarHBondContact O-N 3.27Å; P128-Q130 VanDerWaalsContact O-N 3.13Å; Q130-S134 WeakPolarHBondContact O-CB 3.24Å; Q130-S134 PolarHBondContact O-N 3.05Å; Q130-S134 PolarHBondContact O-OG 2.85Å
131	S	96	Very high	96.2	Very high	46 Å²	46	60.2 Å²	60.2	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-71.1	-38.7	179.5	-85.9	0	0	0	0	112.2	R127 P128 V129 A135	R127-S131 PolarHBondContact NH2-O 2.89Å; P128-S131 WeakPolarHBondContact O-CA 3.23Å; P128-S131 WeakPolarHBondContact O-CB 3.32Å; P128-S131 PolarHBondContact O-N 3.31Å; V129-S131 VanDerWaalsContact C-N 3.28Å; V129-S131 PolarHBondContact O-N 3.13Å; S131-A135 VanDerWaalsContact O-CB 3.32Å; S131-A135 WeakPolarHBondContact O-CB 3.49Å; S131-A135 PolarHBondContact O-N 3Å; S131-A135 VanDerWaalsContact O-N 3.14Å
132	Q	97.5	Very high	96.1	Very high	13 Å²	13	60.4 Å²	60.4	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-51.7	173.1	-65.9	175.9	3.5	0	0	110.4	W124 R127 P128 V129 S134 A135 Y136 I168	W124-Q132 HydrophobicContact CD2-CG 4.34Å; W124-Q132 HydrophobicContact CH2-CB 4.22Å; W124-Q132 WeakPolarHBondContact CH2-O 3.45Å; W124-Q132 HydrophobicContact CZ2-CB 3.68Å; W124-Q132 HydrophobicContact CZ2-CG 4.02Å; W124-Q132 PolarHBondContact O-NE2 3.43Å; R127-Q132 HydrophobicContact CB-CG 3.99Å; R127-Q132 PolarHBondContact O-NE2 3.12Å; P128-Q132 PolarHBondContact O-N 2.82Å; V129-Q132 PolarHBondContact O-N 3.36Å; Q132-S134 PolarHBondContact O-N 2.83Å; Q132-A135 PolarHBondContact O-N 2.86Å; Q132-Y136 VanDerWaalsContact O-CB 3.31Å; Q132-Y136 WeakPolarHBondContact O-CB 3.2Å; Q132-Y136 PolarHBondContact O-N 2.98Å; Q132-I168 HydrophobicContact CB-CB 4.34Å; Q132-I168 HydrophobicContact CB-CD1 4.11Å; Q132-I168 HydrophobicContact CB-CG2 4.49Å
133	A	96.8	Very high	96.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.9	-44.8	-179.7	0	0	0	0	0	112.6	V129 Y136 A137 V157 K158 I168	V129-A133 WeakPolarHBondContact O-CB 3.3Å; V129-A133 PolarHBondContact O-N 3.39Å; A133-Y136 PolarHBondContact O-N 3Å; A133-A137 VanDerWaalsContact O-CB 3.22Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.14Å; A133-V157 HydrophobicContact CB-CB 4.49Å; A133-V157 HydrophobicContact CB-CG1 4.18Å; A133-K158 HydrophobicContact CB-CG 3.72Å; A133-I168 HydrophobicContact CB-CD1 3.81Å
134	S	96.4	Very high	96.1	Very high	52 Å²	52	62.8 Å²	62.8	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-41.2	178.8	-55.4	0	0	0	0	112.1	Q130 Q132 S138	Q130-S134 WeakPolarHBondContact O-CB 3.24Å; Q130-S134 PolarHBondContact O-N 3.05Å; Q130-S134 PolarHBondContact O-OG 2.85Å; Q132-S134 PolarHBondContact O-N 2.83Å; S134-S138 VanDerWaalsContact O-CB 3.23Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 2.82Å
135	A	96.2	Very high	96	Very high	23 Å²	23	68 Å²	68	19%	0.19	39%	0.392	C	S	.	.	H	α-helix	trans	-70.3	-35.3	177.8	0	0	0	0	0	112.4	W124 S131 Q132	W124-A135 HydrophobicContact CH2-CB 3.94Å; W124-A135 HydrophobicContact CZ3-CB 3.87Å; S131-A135 VanDerWaalsContact O-CB 3.32Å; S131-A135 WeakPolarHBondContact O-CB 3.49Å; S131-A135 PolarHBondContact O-N 3Å; S131-A135 VanDerWaalsContact O-N 3.14Å; Q132-A135 PolarHBondContact O-N 2.86Å
136	Y	96.5	Very high	96.1	Very high	84 Å²	84	65.7 Å²	65.7	33%	0.329	38%	0.384	S	S	.	.	H	α-helix	trans	-69	-41.7	176.1	-168.1	-78.8	0	0	0	111.8	Q132 A133 S138 V157 F161 I168 P169 P171	Q132-Y136 VanDerWaalsContact O-CB 3.31Å; Q132-Y136 WeakPolarHBondContact O-CB 3.2Å; Q132-Y136 PolarHBondContact O-N 2.98Å; A133-Y136 PolarHBondContact O-N 3Å; Y136-S138 VanDerWaalsContact C-N 3.31Å; Y136-S138 PolarHBondContact O-N 2.98Å; Y136-V157 HydrophobicContact CD1-CB 4.38Å; Y136-V157 HydrophobicContact CD1-CG1 3.82Å; Y136-V157 HydrophobicContact CD1-CG2 3.53Å; Y136-V157 HydrophobicContact CE1-CG2 4.19Å; Y136-V157 HydrophobicContact CG-CG1 4.05Å; Y136-V157 HydrophobicContact CG-CG2 4.41Å; Y136-F161 HydrophobicContact CE1-CE2 4.14Å; Y136-I168 HydrophobicContact CD2-CG2 3.58Å; Y136-I168 HydrophobicContact CE2-CG2 4.28Å; Y136-I168 HydrophobicContact CG-CG2 3.88Å; Y136-P169 VanDerWaalsContact CD2-O 3.22Å; Y136-P169 WeakPolarHBondContact CD2-O 3.5Å; Y136-P169 HydrophobicContact CE2-CG 3.97Å; Y136-P169 WeakPolarHBondContact CE2-O 3.24Å; Y136-P171 HydrophobicContact CD2-CG 3.63Å; Y136-P171 HydrophobicContact CE2-CG 4.22Å; Y136-P171 HydrophobicContact CG-CG 4.2Å
137	A	94	Very high	96.1	Very high	4 Å²	4	70.6 Å²	70.6	3%	0.033	39%	0.39	C	S	.	.	H	α-helix	trans	-70.3	-25.8	-178.5	0	0	0	0	0	113.8	A133 R153 A154 V157	A133-A137 VanDerWaalsContact O-CB 3.22Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.14Å; A137-R153 HydrophobicContact CB-CB 3.85Å; A137-R153 PolarHBondContact O-NE 2.78Å; A137-A154 HydrophobicContact CB-CB 4.18Å; A137-V157 HydrophobicContact CB-CG2 4.08Å
138	S	92.7	Very high	96.2	Very high	50 Å²	50	74 Å²	74	35%	0.35	41%	0.408	S	S	.	.			trans	-102.5	116.6	-168.2	-174.6	0	0	0	0	113	S134 Y136 Q140	S134-S138 VanDerWaalsContact O-CB 3.23Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 2.82Å; Y136-S138 VanDerWaalsContact C-N 3.31Å; Y136-S138 PolarHBondContact O-N 2.98Å; S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-Q140 PolarHBondContact O-N 2.71Å
139	Y	94	Very high	96.3	Very high	137 Å²	137	73.4 Å²	73.4	54%	0.537	40%	0.395	S	S	.	.			trans	-76.2	87.2	162.4	-63.4	-80.2	0	0	0	108.8	S141 S142	Y139-S141 PolarHBondContact O-N 2.79Å; Y139-S142 WeakPolarHBondContact CB-OG 3.36Å; Y139-S142 WeakPolarHBondContact O-CB 3.45Å; Y139-S142 PolarHBondContact O-N 2.83Å; Y139-S142 PolarHBondContact O-OG 2.97Å
140	Q	96	Very high	96.3	Very high	68 Å²	68	73.4 Å²	73.4	32%	0.318	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	128.7	-172.1	-176.9	175.8	73.4	0	0	112	S77 S81 S138 S142	S77-Q140 PolarHBondContact OG-OE1 2.91Å; S77-Q140 VanDerWaalsContact OG-OE1 3.13Å; S81-Q140 WeakPolarHBondContact CA-O 3.43Å; S81-Q140 PolarHBondContact OG-OE1 2.79Å; S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-Q140 PolarHBondContact O-N 2.71Å; Q140-S142 VanDerWaalsContact C-N 3.32Å; Q140-S142 PolarHBondContact O-N 2.93Å
141	S	95.9	Very high	96.4	Very high	88 Å²	88	73.6 Å²	73.6	62%	0.615	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	7	-178.7	-48.7	0	0	0	0	116.7	Y139	Y139-S141 PolarHBondContact O-N 2.79Å
142	S	96.6	Very high	96.5	Very high	62 Å²	62	76.4 Å²	76.4	43%	0.434	40%	0.401	S	S	.	.			trans	-81.6	154.9	167.8	66.2	0	0	0	0	112	Y139 Q140	Y139-S142 WeakPolarHBondContact CB-OG 3.36Å; Y139-S142 WeakPolarHBondContact O-CB 3.45Å; Y139-S142 PolarHBondContact O-N 2.83Å; Y139-S142 PolarHBondContact O-OG 2.97Å; Q140-S142 VanDerWaalsContact C-N 3.32Å; Q140-S142 PolarHBondContact O-N 2.93Å
143	V	97.4	Very high	96.5	Very high	148 Å²	148	79.4 Å²	79.4	90%	0.897	41%	0.412	S	S	*	.			trans	-71.3	136.2	171.2	178.9	0	0	0	0	108.9
144	V	96.9	Very high	96.5	Very high	53 Å²	53	80.1 Å²	80.1	32%	0.321	42%	0.417	S	S	.	.			trans	-130.7	152.9	177.1	-64.7	0	0	0	0	109.8	S146 Y149 L150	V144-S146 PolarHBondContact O-N 3.09Å; V144-Y149 HydrophobicContact CB-CD1 3.83Å; V144-Y149 HydrophobicContact CB-CE1 4.06Å; V144-Y149 HydrophobicContact CG1-CD1 4.02Å; V144-Y149 HydrophobicContact CG1-CE1 3.8Å; V144-L150 HydrophobicContact CG1-CD2 4.14Å; V144-L150 HydrophobicContact CG2-CD1 4.26Å; V144-L150 HydrophobicContact CG2-CD2 4.31Å; V144-L150 HydrophobicContact CG2-CG 4.23Å
145	P	97.3	Very high	96.4	Very high	108 Å²	108	79.4 Å²	79.4	70%	0.701	42%	0.415	S	S	*	.	S	Bend	trans	-70.5	-31.3	-174	25.5	-34.3	0	0	0	113.7	Y149	P145-Y149 HydrophobicContact CG-CD1 4.16Å; P145-Y149 HydrophobicContact CG-CD2 3.78Å; P145-Y149 HydrophobicContact CG-CE2 4.4Å; P145-Y149 HydrophobicContact CG-CG 3.64Å
146	S	97.8	Very high	96.5	Very high	53 Å²	53	83.3 Å²	83.3	37%	0.371	43%	0.427	S	S	.	.			trans	-164.7	171.3	-178.1	69.3	0	0	0	0	112.9	V144 Q148 Y149	V144-S146 PolarHBondContact O-N 3.09Å; S146-Q148 PolarHBondContact OG-N 2.98Å; S146-Y149 PolarHBondContact OG-N 2.91Å; S146-Y149 VanDerWaalsContact OG-N 3.08Å
147	R	97	Very high	96.5	Very high	189 Å²	189	79.8 Å²	79.8	71%	0.713	42%	0.415	S	S	*	.	H	α-helix	trans	-62.1	-44.4	166.6	169.1	178.7	-70.8	-85.2	0.7	111.5	Y149 L150 E151	R147-Y149 PolarHBondContact O-N 3.04Å; R147-L150 WeakPolarHBondContact O-CA 3.34Å; R147-L150 WeakPolarHBondContact O-CB 3.48Å; R147-L150 PolarHBondContact O-N 3.27Å; R147-E151 WeakPolarHBondContact CD-OE1 3.2Å; R147-E151 HydrophobicContact CG-CG 4.42Å; R147-E151 WeakPolarHBondContact CG-OE1 3.4Å; R147-E151 IonicContact NH1-OE1 2.77Å; R147-E151 PolarHBondContact O-N 2.85Å; R147-E151 VanDerWaalsContact O-N 3.14Å
148	Q	98.1	Very high	96.6	Very high	120 Å²	120	82.8 Å²	82.8	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-56.9	-39.9	-179.7	-178.6	178	-6.9	0	0	111.4	S146 L150 E151 E152	S146-Q148 PolarHBondContact OG-N 2.98Å; Q148-L150 VanDerWaalsContact C-N 3.27Å; Q148-L150 PolarHBondContact O-N 3.32Å; Q148-E151 PolarHBondContact O-N 2.84Å; Q148-E151 VanDerWaalsContact O-N 3.15Å; Q148-E152 HydrophobicContact CG-CG 4.24Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.46Å; Q148-E152 PolarHBondContact NE2-OE1 3.18Å; Q148-E152 WeakPolarHBondContact O-CB 3.42Å; Q148-E152 WeakPolarHBondContact O-CG 2.92Å; Q148-E152 PolarHBondContact O-N 3.02Å
149	Y	97.5	Very high	96.7	Very high	74 Å²	74	86 Å²	86	29%	0.29	43%	0.432	S	S	.	.	H	α-helix	trans	-56.6	-38.4	173.8	171.9	-95	0	0	0	113.2	V144 P145 S146 R147 R153	V144-Y149 HydrophobicContact CB-CD1 3.83Å; V144-Y149 HydrophobicContact CB-CE1 4.06Å; V144-Y149 HydrophobicContact CG1-CD1 4.02Å; V144-Y149 HydrophobicContact CG1-CE1 3.8Å; P145-Y149 HydrophobicContact CG-CD1 4.16Å; P145-Y149 HydrophobicContact CG-CD2 3.78Å; P145-Y149 HydrophobicContact CG-CE2 4.4Å; P145-Y149 HydrophobicContact CG-CG 3.64Å; S146-Y149 PolarHBondContact OG-N 2.91Å; S146-Y149 VanDerWaalsContact OG-N 3.08Å; R147-Y149 PolarHBondContact O-N 3.04Å; Y149-R153 VanDerWaalsContact CE1-CD 3.42Å; Y149-R153 HydrophobicContact CE2-CG 4.45Å; Y149-R153 WeakPolarHBondContact O-CB 3.07Å; Y149-R153 VanDerWaalsContact O-CG 3.29Å; Y149-R153 WeakPolarHBondContact O-CG 3.26Å; Y149-R153 PolarHBondContact O-N 3.12Å; Y149-R153 WeakPolarHBondContact OH-CD 3.09Å; Y149-R153 PolarHBondContact OH-NH1 3.09Å
150	L	97	Very high	96.8	Very high	65 Å²	65	82 Å²	82	34%	0.34	42%	0.419	S	S	.	.	H	α-helix	trans	-69.9	-42.2	176.8	-64.7	171.2	0	0	0	111.6	V144 R147 Q148 R153 A154	V144-L150 HydrophobicContact CG1-CD2 4.14Å; V144-L150 HydrophobicContact CG2-CD1 4.26Å; V144-L150 HydrophobicContact CG2-CD2 4.31Å; V144-L150 HydrophobicContact CG2-CG 4.23Å; R147-L150 WeakPolarHBondContact O-CA 3.34Å; R147-L150 WeakPolarHBondContact O-CB 3.48Å; R147-L150 PolarHBondContact O-N 3.27Å; Q148-L150 VanDerWaalsContact C-N 3.27Å; Q148-L150 PolarHBondContact O-N 3.32Å; L150-R153 PolarHBondContact O-N 2.81Å; L150-A154 WeakPolarHBondContact O-CB 3.16Å; L150-A154 PolarHBondContact O-N 2.75Å
151	E	97.2	Very high	96.8	Very high	108 Å²	108	80.6 Å²	80.6	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-45.3	179.9	-70.1	168.8	176.6	0	0	111.2	R147 Q148 R153 A154 A155	R147-E151 WeakPolarHBondContact CD-OE1 3.2Å; R147-E151 HydrophobicContact CG-CG 4.42Å; R147-E151 WeakPolarHBondContact CG-OE1 3.4Å; R147-E151 IonicContact NH1-OE1 2.77Å; R147-E151 PolarHBondContact O-N 2.85Å; R147-E151 VanDerWaalsContact O-N 3.14Å; Q148-E151 PolarHBondContact O-N 2.84Å; Q148-E151 VanDerWaalsContact O-N 3.15Å; E151-R153 PolarHBondContact O-N 2.85Å; E151-A154 PolarHBondContact O-N 3.13Å; E151-A155 WeakPolarHBondContact O-CB 3.24Å; E151-A155 PolarHBondContact O-N 3.5Å
152	E	97.9	Very high	96.6	Very high	105 Å²	105	79.3 Å²	79.3	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.7	-73.6	173.6	179.9	0	0	112	Q148 A155 K156	Q148-E152 HydrophobicContact CG-CG 4.24Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.46Å; Q148-E152 PolarHBondContact NE2-OE1 3.18Å; Q148-E152 WeakPolarHBondContact O-CB 3.42Å; Q148-E152 WeakPolarHBondContact O-CG 2.92Å; Q148-E152 PolarHBondContact O-N 3.02Å; E152-A155 PolarHBondContact O-N 2.96Å; E152-K156 WeakPolarHBondContact O-CB 3.49Å; E152-K156 PolarHBondContact O-N 3.47Å
153	R	97	Very high	96.2	Very high	77 Å²	77	83.1 Å²	83.1	29%	0.291	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-44.9	175.4	-74.4	-179.8	68.2	96.2	10.5	112.1	A137 Y149 L150 E151 A155 K156 V157	A137-R153 HydrophobicContact CB-CB 3.85Å; A137-R153 PolarHBondContact O-NE 2.78Å; Y149-R153 VanDerWaalsContact CE1-CD 3.42Å; Y149-R153 HydrophobicContact CE2-CG 4.45Å; Y149-R153 WeakPolarHBondContact O-CB 3.07Å; Y149-R153 VanDerWaalsContact O-CG 3.29Å; Y149-R153 WeakPolarHBondContact O-CG 3.26Å; Y149-R153 PolarHBondContact O-N 3.12Å; Y149-R153 WeakPolarHBondContact OH-CD 3.09Å; Y149-R153 PolarHBondContact OH-NH1 3.09Å; L150-R153 PolarHBondContact O-N 2.81Å; E151-R153 PolarHBondContact O-N 2.85Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 3.05Å; R153-K156 PolarHBondContact O-N 3.47Å; R153-V157 WeakPolarHBondContact O-CG2 3.21Å; R153-V157 PolarHBondContact O-N 2.92Å
154	A	96.6	Very high	96	Very high	14 Å²	14	82.7 Å²	82.7	12%	0.116	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-40.9	177.9	0	0	0	0	0	111.5	A137 L150 E151 V157 K158	A137-A154 HydrophobicContact CB-CB 4.18Å; L150-A154 WeakPolarHBondContact O-CB 3.16Å; L150-A154 PolarHBondContact O-N 2.75Å; E151-A154 PolarHBondContact O-N 3.13Å; A154-V157 PolarHBondContact O-N 2.67Å; A154-K158 PolarHBondContact O-N 2.87Å
155	A	96.3	Very high	95.8	Very high	37 Å²	37	83.7 Å²	83.7	31%	0.306	42%	0.419	S	S	.	.	H	α-helix	trans	-63.6	-44.4	173.8	0	0	0	0	0	111.4	E151 E152 R153 V157 K158 R159	E151-A155 WeakPolarHBondContact O-CB 3.24Å; E151-A155 PolarHBondContact O-N 3.5Å; E152-A155 PolarHBondContact O-N 2.96Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 3.05Å; A155-V157 VanDerWaalsContact C-N 3.35Å; A155-V157 PolarHBondContact O-N 3.21Å; A155-K158 WeakPolarHBondContact O-CB 3.46Å; A155-K158 PolarHBondContact O-N 3.01Å; A155-R159 WeakPolarHBondContact O-CG 3.25Å; A155-R159 PolarHBondContact O-N 2.94Å
156	K	97	Very high	95.7	Very high	105 Å²	105	83.1 Å²	83.1	46%	0.457	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-44.6	176	174.5	163.5	172	44.6	0	112.1	E152 R153 K158 R159 D160	E152-K156 WeakPolarHBondContact O-CB 3.49Å; E152-K156 PolarHBondContact O-N 3.47Å; R153-K156 PolarHBondContact O-N 3.47Å; K156-K158 VanDerWaalsContact C-N 3.31Å; K156-K158 PolarHBondContact O-N 2.82Å; K156-R159 PolarHBondContact O-N 2.78Å; K156-D160 WeakPolarHBondContact CE-OD2 3.18Å; K156-D160 WeakPolarHBondContact CG-OD2 3.26Å; K156-D160 VanDerWaalsContact NZ-CG 3.27Å; K156-D160 IonicContact NZ-OD1 2.71Å; K156-D160 PolarHBondContact NZ-OD1 2.8Å; K156-D160 IonicContact NZ-OD2 3.3Å; K156-D160 PolarHBondContact NZ-OD2 2.84Å; K156-D160 WeakPolarHBondContact O-CB 3.35Å; K156-D160 VanDerWaalsContact O-CG 3.24Å; K156-D160 PolarHBondContact O-N 3.11Å
157	V	96.7	Very high	95.6	Very high	11 Å²	11	85 Å²	85	7%	0.067	42%	0.423	C	S	.	.	H	α-helix	trans	-58	-44.6	176.4	172.3	0	0	0	0	111	A133 Y136 A137 R153 A154 A155 R159 D160 F161 I168	A133-V157 HydrophobicContact CB-CB 4.49Å; A133-V157 HydrophobicContact CB-CG1 4.18Å; Y136-V157 HydrophobicContact CD1-CB 4.38Å; Y136-V157 HydrophobicContact CD1-CG1 3.82Å; Y136-V157 HydrophobicContact CD1-CG2 3.53Å; Y136-V157 HydrophobicContact CE1-CG2 4.19Å; Y136-V157 HydrophobicContact CG-CG1 4.05Å; Y136-V157 HydrophobicContact CG-CG2 4.41Å; A137-V157 HydrophobicContact CB-CG2 4.08Å; R153-V157 WeakPolarHBondContact O-CG2 3.21Å; R153-V157 PolarHBondContact O-N 2.92Å; A154-V157 PolarHBondContact O-N 2.67Å; A155-V157 VanDerWaalsContact C-N 3.35Å; A155-V157 PolarHBondContact O-N 3.21Å; V157-R159 VanDerWaalsContact C-N 3.35Å; V157-R159 PolarHBondContact O-N 2.76Å; V157-D160 PolarHBondContact O-N 2.87Å; V157-F161 HydrophobicContact CG1-CD2 4Å; V157-F161 HydrophobicContact CG1-CE2 4.37Å; V157-F161 WeakPolarHBondContact O-CD2 3.16Å; V157-F161 PolarHBondContact O-N 2.93Å; V157-F161 VanDerWaalsContact O-N 3.14Å; V157-I168 HydrophobicContact CG1-CD1 3.97Å; V157-I168 HydrophobicContact CG1-CG1 4.24Å; V157-I168 HydrophobicContact CG1-CG2 4Å
158	K	95.2	Very high	95.7	Very high	66 Å²	66	76.1 Å²	76.1	29%	0.287	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-42.4	176.5	-74.2	-177.1	168.3	-162.8	0	113	A133 A154 A155 K156 T162 E163	A133-K158 HydrophobicContact CB-CG 3.72Å; A154-K158 PolarHBondContact O-N 2.87Å; A155-K158 WeakPolarHBondContact O-CB 3.46Å; A155-K158 PolarHBondContact O-N 3.01Å; K156-K158 VanDerWaalsContact C-N 3.31Å; K156-K158 PolarHBondContact O-N 2.82Å; K158-T162 WeakPolarHBondContact O-CA 3.17Å; K158-T162 WeakPolarHBondContact O-CB 3.31Å; K158-T162 PolarHBondContact O-N 3.05Å; K158-E163 PolarHBondContact O-N 3.12Å; K158-E163 VanDerWaalsContact O-N 3.11Å
159	R	95.5	Very high	95.6	Very high	119 Å²	119	73.2 Å²	73.2	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-42.3	176.6	-62.1	-159.7	-76.3	-80.5	-3.3	112.2	A155 K156 V157 F161 E163	A155-R159 WeakPolarHBondContact O-CG 3.25Å; A155-R159 PolarHBondContact O-N 2.94Å; K156-R159 PolarHBondContact O-N 2.78Å; V157-R159 VanDerWaalsContact C-N 3.35Å; V157-R159 PolarHBondContact O-N 2.76Å; R159-F161 VanDerWaalsContact C-N 3.28Å; R159-F161 PolarHBondContact O-N 2.89Å; R159-E163 WeakPolarHBondContact CB-OE2 3.31Å; R159-E163 WeakPolarHBondContact CG-OE1 3.49Å; R159-E163 VanDerWaalsContact CG-OE2 3.23Å; R159-E163 WeakPolarHBondContact CG-OE2 3.35Å
160	D	96.2	Very high	95.6	Very high	52 Å²	52	71.2 Å²	71.2	28%	0.278	37%	0.373	S	S	.	.	H	α-helix	trans	-68.2	-29.1	-176	-70.4	-20.8	0	0	0	112.6	K156 V157 K164	K156-D160 WeakPolarHBondContact CE-OD2 3.18Å; K156-D160 WeakPolarHBondContact CG-OD2 3.26Å; K156-D160 VanDerWaalsContact NZ-CG 3.27Å; K156-D160 IonicContact NZ-OD1 2.71Å; K156-D160 PolarHBondContact NZ-OD1 2.8Å; K156-D160 IonicContact NZ-OD2 3.3Å; K156-D160 PolarHBondContact NZ-OD2 2.84Å; K156-D160 WeakPolarHBondContact O-CB 3.35Å; K156-D160 VanDerWaalsContact O-CG 3.24Å; K156-D160 PolarHBondContact O-N 3.11Å; V157-D160 PolarHBondContact O-N 2.87Å; D160-K164 WeakPolarHBondContact O-CD 3.36Å
161	F	96.4	Very high	95.6	Very high	39 Å²	39	69.3 Å²	69.3	17%	0.171	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-69.6	-178.3	-66	-78.5	0	0	0	113	Y136 V157 R159 E163 K164 G165 L166 S167 I168 P169	Y136-F161 HydrophobicContact CE1-CE2 4.14Å; V157-F161 HydrophobicContact CG1-CD2 4Å; V157-F161 HydrophobicContact CG1-CE2 4.37Å; V157-F161 WeakPolarHBondContact O-CD2 3.16Å; V157-F161 PolarHBondContact O-N 2.93Å; V157-F161 VanDerWaalsContact O-N 3.14Å; R159-F161 VanDerWaalsContact C-N 3.28Å; R159-F161 PolarHBondContact O-N 2.89Å; F161-E163 PolarHBondContact O-N 2.88Å; F161-K164 CarbonylContact O-C 3.5Å; F161-K164 WeakPolarHBondContact O-CA 3.05Å; F161-K164 PolarHBondContact O-N 2.67Å; F161-G165 PolarHBondContact O-N 3.37Å; F161-L166 CarbonylContact C-O 3.52Å; F161-L166 VanDerWaalsContact C-O 3.31Å; F161-L166 HydrophobicContact CB-CB 4.29Å; F161-L166 HydrophobicContact CD1-CB 4.2Å; F161-L166 WeakPolarHBondContact O-CA 3.04Å; F161-L166 WeakPolarHBondContact O-CB 3.07Å; F161-L166 PolarHBondContact O-N 3.05Å; F161-S167 WeakPolarHBondContact CD1-O 3.39Å; F161-I168 HydrophobicContact CB-CG1 3.74Å; F161-I168 HydrophobicContact CD2-CG1 4.18Å; F161-I168 HydrophobicContact CD2-CG2 4.44Å; F161-I168 HydrophobicContact CG-CG1 4.11Å; F161-P169 HydrophobicContact CE1-CG 3.9Å; F161-P169 HydrophobicContact CZ-CG 3.96Å
162	T	90.4	Very high	95.5	Very high	60 Å²	60	70.2 Å²	70.2	37%	0.368	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-65.4	-41	-168	-48.8	0	0	0	0	113.2	V129 K158 K164 G165	V129-T162 HydrophobicContact CG1-CG2 4.21Å; V129-T162 WeakPolarHBondContact CG1-OG1 3.24Å; K158-T162 WeakPolarHBondContact O-CA 3.17Å; K158-T162 WeakPolarHBondContact O-CB 3.31Å; K158-T162 PolarHBondContact O-N 3.05Å; T162-K164 PolarHBondContact O-N 2.97Å; T162-G165 PolarHBondContact O-N 2.95Å
163	E	88.9	Confident	95.5	Very high	142 Å²	142	67.1 Å²	67.1	66%	0.664	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.2	177.3	-67.4	178.6	-173.8	0	0	112.9	K158 R159 F161	K158-E163 PolarHBondContact O-N 3.12Å; K158-E163 VanDerWaalsContact O-N 3.11Å; R159-E163 WeakPolarHBondContact CB-OE2 3.31Å; R159-E163 WeakPolarHBondContact CG-OE1 3.49Å; R159-E163 VanDerWaalsContact CG-OE2 3.23Å; R159-E163 WeakPolarHBondContact CG-OE2 3.35Å; F161-E163 PolarHBondContact O-N 2.88Å
164	K	92.8	Very high	95.5	Very high	139 Å²	139	64.5 Å²	64.5	60%	0.604	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-96.1	9	173	-57.1	-175.8	-169	167	0	112.9	D160 F161 T162 L166	D160-K164 WeakPolarHBondContact O-CD 3.36Å; F161-K164 CarbonylContact O-C 3.5Å; F161-K164 WeakPolarHBondContact O-CA 3.05Å; F161-K164 PolarHBondContact O-N 2.67Å; T162-K164 PolarHBondContact O-N 2.97Å; K164-L166 HydrophobicContact CB-CD1 4.29Å; K164-L166 HydrophobicContact CB-CG 4.22Å; K164-L166 PolarHBondContact O-N 3.46Å
165	G	93.6	Very high	95.6	Very high	74 Å²	74	64.2 Å²	64.2	76%	0.763	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	15.6	-176.5	0	0	0	0	0	114.5	F161 T162	F161-G165 PolarHBondContact O-N 3.37Å; T162-G165 PolarHBondContact O-N 2.95Å
166	L	95.6	Very high	95.7	Very high	97 Å²	97	62.5 Å²	62.5	51%	0.508	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-95.5	147.9	178.9	-55	173.3	0	0	0	111.3	F161 K164	F161-L166 CarbonylContact C-O 3.52Å; F161-L166 VanDerWaalsContact C-O 3.31Å; F161-L166 HydrophobicContact CB-CB 4.29Å; F161-L166 HydrophobicContact CD1-CB 4.2Å; F161-L166 WeakPolarHBondContact O-CA 3.04Å; F161-L166 WeakPolarHBondContact O-CB 3.07Å; F161-L166 PolarHBondContact O-N 3.05Å; K164-L166 HydrophobicContact CB-CD1 4.29Å; K164-L166 HydrophobicContact CB-CG 4.22Å; K164-L166 PolarHBondContact O-N 3.46Å
167	S	95.6	Very high	95.8	Very high	93 Å²	93	57.9 Å²	57.9	65%	0.65	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-73.9	145.5	167.3	54.8	0	0	0	0	110.7	F161 P169	F161-S167 WeakPolarHBondContact CD1-O 3.39Å; S167-P169 WeakPolarHBondContact O-CD 3.37Å
168	I	97.6	Very high	95.9	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-78	116.2	172.9	-59.3	169.5	0	0	0	107.1	W124 V129 Q132 A133 Y136 V157 F161	W124-I168 HydrophobicContact CZ2-CG2 4.08Å; W124-I168 PolarHBondContact NE1-O 3.15Å; V129-I168 HydrophobicContact CG1-CD1 4.1Å; Q132-I168 HydrophobicContact CB-CB 4.34Å; Q132-I168 HydrophobicContact CB-CD1 4.11Å; Q132-I168 HydrophobicContact CB-CG2 4.49Å; A133-I168 HydrophobicContact CB-CD1 3.81Å; Y136-I168 HydrophobicContact CD2-CG2 3.58Å; Y136-I168 HydrophobicContact CE2-CG2 4.28Å; Y136-I168 HydrophobicContact CG-CG2 3.88Å; V157-I168 HydrophobicContact CG1-CD1 3.97Å; V157-I168 HydrophobicContact CG1-CG1 4.24Å; V157-I168 HydrophobicContact CG1-CG2 4Å; F161-I168 HydrophobicContact CB-CG1 3.74Å; F161-I168 HydrophobicContact CD2-CG1 4.18Å; F161-I168 HydrophobicContact CD2-CG2 4.44Å; F161-I168 HydrophobicContact CG-CG1 4.11Å
169	P	96.8	Very high	96.1	Very high	60 Å²	60	55 Å²	55	39%	0.39	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-67.5	150.2	-179.7	26.7	-31	0	0	0	110.5	Y136 F161 S167 P171	Y136-P169 VanDerWaalsContact CD2-O 3.22Å; Y136-P169 WeakPolarHBondContact CD2-O 3.5Å; Y136-P169 HydrophobicContact CE2-CG 3.97Å; Y136-P169 WeakPolarHBondContact CE2-O 3.24Å; F161-P169 HydrophobicContact CE1-CG 3.9Å; F161-P169 HydrophobicContact CZ-CG 3.96Å; S167-P169 WeakPolarHBondContact O-CD 3.37Å; P169-P171 WeakPolarHBondContact O-CD 3.27Å
170	R	97.6	Very high	96.2	Very high	32 Å²	32	53.1 Å²	53.1	12%	0.121	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.7	127.4	172.2	-176	178	55.7	95.2	-2.9	109	D117 D121 W124 T172 W174	D117-R170 PolarHBondContact O-NH2 2.84Å; D117-R170 IonicContact OD1-CZ 3.24Å; D117-R170 IonicContact OD1-NH1 2.74Å; D117-R170 PolarHBondContact OD1-NH1 3.36Å; D117-R170 VanDerWaalsContact OD1-NH1 3.14Å; D117-R170 IonicContact OD1-NH2 3.04Å; D117-R170 PolarHBondContact OD1-NH2 3.38Å; D121-R170 IonicContact OD1-CZ 2.68Å; D121-R170 IonicContact OD1-NE 3.39Å; D121-R170 PolarHBondContact OD1-NE 3.04Å; D121-R170 IonicContact OD1-NH2 3.53Å; D121-R170 PolarHBondContact OD1-NH2 2.95Å; D121-R170 IonicContact OD2-NH2 3.55Å; D121-R170 PolarHBondContact OD2-NH2 3.42Å; W124-R170 HydrophobicContact CB-CB 4.13Å; W124-R170 HydrophobicContact CB-CG 4.16Å; W124-R170 HydrophobicContact CD2-CB 3.79Å; W124-R170 HydrophobicContact CD2-CG 3.86Å; W124-R170 HydrophobicContact CE3-CB 4.35Å; W124-R170 HydrophobicContact CE3-CG 3.92Å; W124-R170 HydrophobicContact CG-CB 3.64Å; W124-R170 HydrophobicContact CG-CG 3.95Å; R170-T172 PolarHBondContact O-N 3.27Å; R170-W174 WeakPolarHBondContact CD-O 3.41Å; R170-W174 HydrophobicContact CG-CB 4.22Å; R170-W174 HydrophobicContact CG-CE3 4.01Å; R170-W174 PolarHBondContact NH1-O 3.19Å
171	P	96.8	Very high	96.3	Very high	24 Å²	24	50.8 Å²	50.8	16%	0.156	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-59.9	136	168.8	-20.1	30.9	0	0	0	109.8	W124 Y136 P169 T173 W174	W124-P171 HydrophobicContact CH2-CG 4.17Å; Y136-P171 HydrophobicContact CD2-CG 3.63Å; Y136-P171 HydrophobicContact CE2-CG 4.22Å; Y136-P171 HydrophobicContact CG-CG 4.2Å; P169-P171 WeakPolarHBondContact O-CD 3.27Å; P171-T173 PolarHBondContact O-N 3.38Å; P171-W174 HydrophobicContact CB-CB 4.14Å; P171-W174 HydrophobicContact CG-CB 4.27Å; P171-W174 WeakPolarHBondContact O-CA 3.42Å; P171-W174 WeakPolarHBondContact O-CB 3.19Å; P171-W174 PolarHBondContact O-N 3.4Å
172	T	95.6	Very high	96.3	Very high	128 Å²	128	51.3 Å²	51.3	79%	0.785	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.2	177	53.6	0	0	0	0	113.3	R170 W174	R170-T172 PolarHBondContact O-N 3.27Å; T172-W174 VanDerWaalsContact C-N 3.3Å
173	T	96.8	Very high	96.6	Very high	39 Å²	39	50.3 Å²	50.3	24%	0.239	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.1	175.9	63.7	0	0	0	0	113	S78 T79 N80 P171	S78-T173 CarbonylContact C-O 3.55Å; S78-T173 WeakPolarHBondContact CA-O 3.29Å; S78-T173 PolarHBondContact OG-O 2.71Å; T79-T173 PolarHBondContact N-O 2.85Å; T79-T173 WeakPolarHBondContact OG1-CA 3.47Å; T79-T173 WeakPolarHBondContact OG1-CB 3.48Å; T79-T173 PolarHBondContact OG1-O 2.92Å; N80-T173 WeakPolarHBondContact ND2-CG2 3.48Å; P171-T173 PolarHBondContact O-N 3.38Å
174	W	98.1	Very high	97.1	Very high	23 Å²	23	43.6 Å²	43.6	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.1	177.9	-163	98.4	0	0	0	109	Y76 Y123 W124 R127 R170 P171 T172	Y76-W174 VanDerWaalsContact CB-CZ2 3.43Å; Y76-W174 HydrophobicContact CD1-CE3 4.25Å; Y76-W174 AromaticContact CD1-CH2 3.19Å; Y76-W174 HydrophobicContact CD1-CH2 3.19Å; Y76-W174 HydrophobicContact CD1-CZ2 4.2Å; Y76-W174 AromaticContact CD1-CZ3 3.24Å; Y76-W174 HydrophobicContact CD1-CZ3 3.24Å; Y76-W174 HydrophobicContact CD2-CH2 4.39Å; Y76-W174 HydrophobicContact CE1-CH2 4.09Å; Y76-W174 AromaticContact CE1-CZ3 3.95Å; Y76-W174 HydrophobicContact CE1-CZ3 3.95Å; Y76-W174 AromaticContact CG-CH2 3.37Å; Y76-W174 HydrophobicContact CG-CH2 3.37Å; Y76-W174 HydrophobicContact CG-CZ2 4.05Å; Y76-W174 AromaticContact CG-CZ3 3.93Å; Y76-W174 HydrophobicContact CG-CZ3 3.93Å; Y123-W174 AromaticContact CD1-CH2 3.54Å; Y123-W174 HydrophobicContact CD1-CH2 3.54Å; Y123-W174 HydrophobicContact CD1-CZ3 4.17Å; Y123-W174 AromaticContact CE1-CH2 3.73Å; Y123-W174 HydrophobicContact CE1-CH2 3.73Å; Y123-W174 HydrophobicContact CE1-CZ2 4.4Å; W124-W174 HydrophobicContact CB-CZ3 4.42Å; W124-W174 AromaticContact CE3-CD2 3.66Å; W124-W174 HydrophobicContact CE3-CD2 3.66Å; W124-W174 AromaticContact CE3-CE2 3.96Å; W124-W174 AromaticContact CE3-CE3 3.72Å; W124-W174 HydrophobicContact CE3-CE3 3.72Å; W124-W174 HydrophobicContact CE3-CG 4.13Å; W124-W174 HydrophobicContact CE3-CH2 4.36Å; W124-W174 HydrophobicContact CE3-CZ2 4.31Å; W124-W174 HydrophobicContact CE3-CZ3 4.07Å; W124-W174 HydrophobicContact CZ3-CB 4.41Å; W124-W174 AromaticContact CZ3-CD1 3.94Å; W124-W174 AromaticContact CZ3-CD2 3.76Å; W124-W174 HydrophobicContact CZ3-CD2 3.76Å; W124-W174 AromaticContact CZ3-CE2 3.92Å; W124-W174 HydrophobicContact CZ3-CE3 4.3Å; W124-W174 AromaticContact CZ3-CG 3.79Å; W124-W174 HydrophobicContact CZ3-CG 3.79Å; R127-W174 VanDerWaalsContact NH1-CZ2 3.34Å; R170-W174 WeakPolarHBondContact CD-O 3.41Å; R170-W174 HydrophobicContact CG-CB 4.22Å; R170-W174 HydrophobicContact CG-CE3 4.01Å; R170-W174 PolarHBondContact NH1-O 3.19Å; P171-W174 HydrophobicContact CB-CB 4.14Å; P171-W174 HydrophobicContact CG-CB 4.27Å; P171-W174 WeakPolarHBondContact O-CA 3.42Å; P171-W174 WeakPolarHBondContact O-CB 3.19Å; P171-W174 PolarHBondContact O-N 3.4Å; T172-W174 VanDerWaalsContact C-N 3.3Å
175	V	98.5	Very high	97.4	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.7	-170.7	-57.9	0	0	0	0	111.2	Y76 S77 T79 I114 Y177	Y76-V175 WeakPolarHBondContact CA-O 3.27Å; S77-V175 PolarHBondContact N-O 2.63Å; S77-V175 PolarHBondContact O-N 2.52Å; S77-V175 VanDerWaalsContact O-O 3.13Å; T79-V175 HydrophobicContact CG2-CB 4.46Å; T79-V175 HydrophobicContact CG2-CG1 3.9Å; T79-V175 HydrophobicContact CG2-CG2 3.66Å; I114-V175 HydrophobicContact CD1-CG2 4.36Å; I114-V175 HydrophobicContact CG1-CG2 4.24Å; I114-V175 HydrophobicContact CG2-CB 4.03Å; I114-V175 HydrophobicContact CG2-CG1 4.26Å; I114-V175 HydrophobicContact CG2-CG2 4.45Å; V175-Y177 HydrophobicContact CG2-CD2 4Å; V175-Y177 HydrophobicContact CG2-CE1 4.07Å; V175-Y177 HydrophobicContact CG2-CE2 3.39Å; V175-Y177 VanDerWaalsContact CG2-CZ 3.43Å
176	G	98.5	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.3	162.2	0	0	0	0	0	110.6	F75 I114 I115	F75-G176 WeakPolarHBondContact O-CA 3.41Å; I114-G176 WeakPolarHBondContact CA-O 3.36Å; I115-G176 PolarHBondContact N-O 3.25Å
177	Y	98.8	Very high	97.6	Very high	9 Å²	9	31 Å²	31	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.9	175.5	-70.6	-79.3	0	0	0	109	T74 F75 T79 M87 V112 E113 I114 V175	T74-Y177 CarbonylContact C-O 3.6Å; T74-Y177 VanDerWaalsContact CA-O 3.24Å; T74-Y177 WeakPolarHBondContact CA-O 3.37Å; F75-Y177 HydrophobicContact CD2-CD2 4.35Å; F75-Y177 HydrophobicContact CE1-CG 4.33Å; F75-Y177 AromaticContact CE2-CD2 3.67Å; F75-Y177 HydrophobicContact CE2-CD2 3.67Å; F75-Y177 HydrophobicContact CE2-CG 4.1Å; F75-Y177 VanDerWaalsContact CZ-CB 3.48Å; F75-Y177 AromaticContact CZ-CD2 3.87Å; F75-Y177 HydrophobicContact CZ-CD2 3.87Å; F75-Y177 AromaticContact CZ-CG 3.8Å; F75-Y177 HydrophobicContact CZ-CG 3.8Å; F75-Y177 PolarHBondContact N-O 3.35Å; F75-Y177 PolarHBondContact O-N 3.43Å; T79-Y177 WeakPolarHBondContact CA-OH 3.38Å; T79-Y177 WeakPolarHBondContact CG2-OH 3.46Å; M87-Y177 HydrophobicContact CE-CD1 3.84Å; M87-Y177 HydrophobicContact CE-CD2 3.97Å; M87-Y177 HydrophobicContact CE-CE1 3.62Å; M87-Y177 HydrophobicContact CE-CE2 3.78Å; M87-Y177 HydrophobicContact CE-CG 4Å; V112-Y177 HydrophobicContact CG2-CD1 3.69Å; V112-Y177 HydrophobicContact CG2-CG 4.04Å; E113-Y177 CarbonylContact O-C 3.58Å; E113-Y177 VanDerWaalsContact O-CA 3.25Å; E113-Y177 WeakPolarHBondContact O-CA 3.28Å; I114-Y177 HydrophobicContact CD1-CE1 4.34Å; I114-Y177 HydrophobicContact CG1-CD1 4.01Å; I114-Y177 HydrophobicContact CG1-CE1 3.74Å; V175-Y177 HydrophobicContact CG2-CD2 4Å; V175-Y177 HydrophobicContact CG2-CE1 4.07Å; V175-Y177 HydrophobicContact CG2-CE2 3.39Å; V175-Y177 VanDerWaalsContact CG2-CZ 3.43Å
178	L	98.8	Very high	97.6	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.089	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.4	171.1	174.7	64.7	0	0	0	109.2	A71 V112 E113 I115 K180	A71-L178 HydrophobicContact CB-CD2 3.98Å; V112-L178 CarbonylContact C-O 3.49Å; V112-L178 WeakPolarHBondContact CA-O 3.43Å; E113-L178 HydrophobicContact CG-CB 4.06Å; E113-L178 HydrophobicContact CG-CD2 4.49Å; E113-L178 PolarHBondContact N-O 3.38Å; E113-L178 PolarHBondContact O-N 3.26Å; I115-L178 HydrophobicContact CG2-CB 3.77Å; L178-K180 HydrophobicContact CD2-CG 4.37Å; L178-K180 HydrophobicContact CG-CG 4.38Å
179	V	98.8	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	110.3	170.5	-178.5	0	0	0	0	108.9	G72 F73 F75 V93 L95 V108 T111 V112 P181	G72-V179 VanDerWaalsContact CA-O 3.25Å; G72-V179 WeakPolarHBondContact CA-O 3.46Å; F73-V179 HydrophobicContact CB-CB 4.38Å; F73-V179 PolarHBondContact N-O 2.71Å; F73-V179 PolarHBondContact O-N 2.94Å; F75-V179 HydrophobicContact CD1-CG2 4.24Å; F75-V179 HydrophobicContact CE1-CG2 3.76Å; V93-V179 HydrophobicContact CG2-CB 4.35Å; V93-V179 HydrophobicContact CG2-CG1 3.62Å; V93-V179 HydrophobicContact CG2-CG2 3.84Å; L95-V179 HydrophobicContact CD1-CB 3.99Å; L95-V179 HydrophobicContact CD1-CG1 4.04Å; L95-V179 HydrophobicContact CD1-CG2 4.04Å; L95-V179 HydrophobicContact CD2-CG2 4.26Å; L95-V179 HydrophobicContact CG-CG1 4.32Å; L95-V179 HydrophobicContact CG-CG2 4.38Å; V108-V179 HydrophobicContact CG1-CG1 4.44Å; T111-V179 CarbonylContact O-C 3.45Å; T111-V179 WeakPolarHBondContact O-CA 3.35Å; V112-V179 HydrophobicContact CG2-CG2 4.18Å; V179-P181 WeakPolarHBondContact O-CD 3.44Å
180	K	98.3	Very high	97.2	Very high	79 Å²	79	24.2 Å²	24.2	34%	0.343	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.7	175.6	-72.6	178.4	163.4	166.3	0	109.8	G110 T111 E113 L178	G110-K180 VanDerWaalsContact CA-O 3.27Å; G110-K180 WeakPolarHBondContact CA-O 3.41Å; T111-K180 PolarHBondContact N-O 3.1Å; T111-K180 VanDerWaalsContact N-O 3.17Å; T111-K180 PolarHBondContact O-N 2.96Å; E113-K180 WeakPolarHBondContact OE1-CE 2.97Å; E113-K180 IonicContact OE1-NZ 3.35Å; E113-K180 PolarHBondContact OE1-NZ 3.3Å; E113-K180 WeakPolarHBondContact OE2-CE 3.22Å; E113-K180 IonicContact OE2-NZ 3.63Å; E113-K180 PolarHBondContact OE2-NZ 3.3Å; L178-K180 HydrophobicContact CD2-CG 4.37Å; L178-K180 HydrophobicContact CG-CG 4.38Å
181	P	97.9	Very high	96.8	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.019	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135	-178.1	28.5	-34.5	0	0	0	111.4	M23 V108 V179 V184 R202 W219	M23-P181 HydrophobicContact SD-CG 4.11Å; V108-P181 HydrophobicContact CG1-CB 3.89Å; V179-P181 WeakPolarHBondContact O-CD 3.44Å; P181-V184 HydrophobicContact CB-CG2 3.7Å; P181-R202 PolarHBondContact O-NE 3.15Å; P181-R202 PolarHBondContact O-NH2 3.08Å; P181-W219 HydrophobicContact CB-CH2 4.19Å; P181-W219 HydrophobicContact CG-CH2 4.48Å; P181-W219 HydrophobicContact CG-CZ2 4.46Å; P181-W219 WeakPolarHBondContact O-CH2 3.15Å
182	A	96.4	Very high	96.5	Very high	49 Å²	49	27.8 Å²	27.8	41%	0.405	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-31.1	165.5	0	0	0	0	0	111.1	E109 R202 W219	E109-A182 PolarHBondContact O-N 3.21Å; A182-R202 PolarHBondContact O-N 2.75Å; A182-R202 VanDerWaalsContact O-N 3.12Å; A182-W219 VanDerWaalsContact O-CZ3 3.24Å; A182-W219 WeakPolarHBondContact O-CZ3 3.03Å
183	E	97.7	Very high	96.2	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.187	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.1	174.2	177.8	171.1	141.8	0	0	110.2	E109 R199 F200	E109-E183 HydrophobicContact CB-CB 4.3Å; E109-E183 PolarHBondContact N-O 2.72Å; E109-E183 PolarHBondContact O-N 3.02Å; E183-R199 HydrophobicContact CG-CG 3.8Å; E183-R199 WeakPolarHBondContact OE1-CD 3.41Å; E183-R199 IonicContact OE1-NH1 4Å; E183-R199 WeakPolarHBondContact OE2-CD 3.49Å; E183-R199 IonicContact OE2-NH1 2.74Å; E183-F200 CarbonylContact C-O 3.54Å; E183-F200 VanDerWaalsContact CA-O 3.26Å; E183-F200 WeakPolarHBondContact CA-O 3.45Å
184	V	98.5	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.6	174.4	-172.8	0	0	0	0	109.5	P22 V106 R107 V108 P181 F186 F200	P22-V184 HydrophobicContact CB-CB 3.68Å; P22-V184 HydrophobicContact CB-CG1 4.16Å; P22-V184 HydrophobicContact CB-CG2 3.67Å; P22-V184 HydrophobicContact CG-CB 4.47Å; P22-V184 HydrophobicContact CG-CG2 4.04Å; V106-V184 HydrophobicContact CG1-CG1 3.84Å; R107-V184 CarbonylContact O-C 3.5Å; R107-V184 VanDerWaalsContact O-CA 3.26Å; R107-V184 WeakPolarHBondContact O-CA 3.46Å; R107-V184 WeakPolarHBondContact O-CG1 3.49Å; V108-V184 HydrophobicContact CG1-CG2 4.3Å; V108-V184 HydrophobicContact CG2-CG1 4.18Å; V108-V184 HydrophobicContact CG2-CG2 4.42Å; P181-V184 HydrophobicContact CB-CG2 3.7Å; V184-F186 HydrophobicContact CB-CE2 4.31Å; V184-F186 HydrophobicContact CG1-CD2 4.22Å; V184-F186 HydrophobicContact CG1-CE2 3.53Å; V184-F186 HydrophobicContact CG1-CZ 3.87Å; V184-F200 HydrophobicContact CB-CB 4.46Å; V184-F200 PolarHBondContact N-O 3.05Å; V184-F200 PolarHBondContact O-N 3Å
185	E	98.5	Very high	95.8	Very high	7 Å²	7	33 Å²	33	3%	0.033	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.4	176.6	-171	-166.7	150.7	0	0	110.1	V106 R107 R197 L198	V106-E185 CarbonylContact C-O 3.58Å; V106-E185 VanDerWaalsContact CA-O 3.31Å; V106-E185 WeakPolarHBondContact CA-O 3.36Å; R107-E185 HydrophobicContact CB-CB 4.19Å; R107-E185 IonicContact CZ-OE2 2.68Å; R107-E185 PolarHBondContact N-O 2.8Å; R107-E185 IonicContact NE-OE2 3.45Å; R107-E185 IonicContact NH1-OE2 3.28Å; R107-E185 PolarHBondContact NH1-OE2 3.14Å; R107-E185 PolarHBondContact O-N 2.82Å; E185-R197 IonicContact OE1-CZ 3.36Å; E185-R197 VanDerWaalsContact OE1-CZ 3.3Å; E185-R197 IonicContact OE1-NE 2.78Å; E185-R197 PolarHBondContact OE1-NE 3.22Å; E185-R197 IonicContact OE1-NH2 3.7Å; E185-R197 PolarHBondContact OE1-NH2 2.66Å; E185-R197 IonicContact OE2-NH2 3.4Å; E185-R197 PolarHBondContact OE2-NH2 3.4Å; E185-R197 VanDerWaalsContact OE2-NH2 3.14Å; E185-L198 WeakPolarHBondContact CA-O 3.4Å
186	F	98	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.1	169.8	-66.8	-93.2	0	0	0	109	L12 P22 M25 F26 W29 V106 V184 R197 L198 F200	L12-F186 HydrophobicContact CD2-CB 3.88Å; P22-F186 HydrophobicContact CB-CE2 4.29Å; P22-F186 WeakPolarHBondContact O-CZ 3.12Å; M25-F186 HydrophobicContact CB-CE1 3.99Å; M25-F186 HydrophobicContact CB-CE2 3.82Å; M25-F186 HydrophobicContact CB-CZ 3.53Å; M25-F186 HydrophobicContact CG-CD1 3.9Å; M25-F186 HydrophobicContact CG-CD2 4.04Å; M25-F186 HydrophobicContact CG-CE1 3.67Å; M25-F186 HydrophobicContact CG-CE2 3.81Å; M25-F186 HydrophobicContact CG-CG 4.09Å; M25-F186 HydrophobicContact CG-CZ 3.64Å; F26-F186 HydrophobicContact CB-CE1 4.31Å; F26-F186 HydrophobicContact CB-CZ 4.08Å; W29-F186 AromaticContact CD2-CD1 3.84Å; W29-F186 HydrophobicContact CD2-CD1 3.84Å; W29-F186 HydrophobicContact CD2-CE1 4.38Å; W29-F186 AromaticContact CE3-CD1 3.67Å; W29-F186 HydrophobicContact CE3-CD1 3.67Å; W29-F186 HydrophobicContact CE3-CE1 4.36Å; W29-F186 HydrophobicContact CG-CD1 4.48Å; W29-F186 HydrophobicContact CH2-CB 3.92Å; W29-F186 HydrophobicContact CH2-CD1 4.25Å; W29-F186 HydrophobicContact CZ2-CB 4.33Å; W29-F186 HydrophobicContact CZ2-CD1 4.4Å; W29-F186 HydrophobicContact CZ3-CB 4.14Å; W29-F186 AromaticContact CZ3-CD1 3.88Å; W29-F186 HydrophobicContact CZ3-CD1 3.88Å; V106-F186 HydrophobicContact CG1-CE1 4.23Å; V106-F186 HydrophobicContact CG1-CZ 4.45Å; V106-F186 HydrophobicContact CG2-CD1 3.71Å; V106-F186 HydrophobicContact CG2-CE1 3.81Å; V184-F186 HydrophobicContact CB-CE2 4.31Å; V184-F186 HydrophobicContact CG1-CD2 4.22Å; V184-F186 HydrophobicContact CG1-CE2 3.53Å; V184-F186 HydrophobicContact CG1-CZ 3.87Å; F186-R197 WeakPolarHBondContact O-CA 3.49Å; F186-L198 PolarHBondContact N-O 2.77Å; F186-L198 PolarHBondContact O-N 2.97Å; F186-F200 AromaticContact CD2-CD2 3.65Å; F186-F200 HydrophobicContact CD2-CD2 3.65Å; F186-F200 AromaticContact CD2-CE2 3.54Å; F186-F200 HydrophobicContact CD2-CE2 3.54Å; F186-F200 AromaticContact CE2-CD2 3.73Å; F186-F200 HydrophobicContact CE2-CD2 3.73Å; F186-F200 AromaticContact CE2-CE2 3.74Å; F186-F200 HydrophobicContact CE2-CE2 3.74Å
187	W	97	Very high	95.7	Very high	39 Å²	39	35.3 Å²	35.3	15%	0.148	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.7	177.9	-176.8	107.3	0	0	0	109.7	Y5 W29 N103 R104 T105 H195 D196 R197	Y5-W187 AromaticContact CE2-CH2 3.96Å; Y5-W187 HydrophobicContact CE2-CH2 3.96Å; W29-W187 WeakPolarHBondContact CH2-O 3.4Å; N103-W187 WeakPolarHBondContact O-CZ3 3.38Å; R104-W187 WeakPolarHBondContact CA-O 3.25Å; T105-W187 PolarHBondContact N-O 3.14Å; T105-W187 PolarHBondContact O-N 2.92Å; W187-H195 AromaticContact CE2-CD2 3.94Å; W187-H195 AromaticContact CE2-CG 3.79Å; W187-H195 HydrophobicContact CZ2-CB 3.79Å; W187-H195 AromaticContact CZ2-CD2 3.35Å; W187-H195 WeakPolarHBondContact CZ2-CD2 3.44Å; W187-H195 AromaticContact CZ2-CG 3.37Å; W187-H195 AromaticContact CZ2-ND1 3.89Å; W187-H195 AromaticContact CZ2-NE2 3.81Å; W187-H195 AromaticContact NE1-CD2 3.99Å; W187-H195 AromaticContact NE1-CG 3.92Å; W187-D196 CarbonylContact C-O 3.55Å; W187-D196 VanDerWaalsContact CA-O 3.28Å; W187-D196 WeakPolarHBondContact CA-O 3.47Å; W187-R197 HydrophobicContact CG-CG 4.36Å
188	Q	94.8	Very high	95.6	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121	174.4	172	65.4	69	0	0	109.8	T10 L12 W29 M102 N103 R104 D196	T10-Q188 WeakPolarHBondContact O-CG 3.21Å; L12-Q188 HydrophobicContact CB-CB 4.17Å; W29-Q188 HydrophobicContact CH2-CB 4.09Å; W29-Q188 HydrophobicContact CZ2-CB 4.46Å; M102-Q188 PolarHBondContact O-NE2 2.86Å; N103-Q188 PolarHBondContact O-NE2 3.04Å; R104-Q188 VanDerWaalsContact CG-OE1 3.22Å; Q188-D196 HydrophobicContact CB-CB 4.23Å; Q188-D196 PolarHBondContact N-O 3.33Å; Q188-D196 PolarHBondContact O-N 2.82Å
189	G	93.2	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.			trans	-70.6	132.3	180	0	0	0	0	0	111.9	N103	N103-G189 PolarHBondContact O-N 3.15Å
190	Q	92.9	Very high	95.5	Very high	6 Å²	6	37 Å²	37	3%	0.028	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-120.4	143.3	176	-62.7	-59.9	-21.9	0	0	111	G6 D192 R193 L194 H195 D196	G6-Q190 PolarHBondContact O-OE1 2.68Å; Q190-D192 VanDerWaalsContact C-N 3.31Å; Q190-D192 WeakPolarHBondContact CB-OD1 3.3Å; Q190-D192 PolarHBondContact O-N 3.38Å; Q190-R193 PolarHBondContact O-N 3.15Å; Q190-L194 WeakPolarHBondContact CG-O 3.32Å; Q190-H195 PolarHBondContact N-ND1 2.83Å; Q190-H195 VanDerWaalsContact N-ND1 3.19Å; Q190-H195 PolarHBondContact O-CE1 3.43Å; Q190-H195 PolarHBondContact O-ND1 2.67Å; Q190-D196 PolarHBondContact NE2-OD2 2.82Å
191	S	89.1	Confident	95.4	Very high	45 Å²	45	36.7 Å²	36.7	32%	0.315	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.2	-176	-69.7	0	0	0	0	114.3	Y5 G6 N7 R193	Y5-S191 VanDerWaalsContact C-OG 3.26Å; Y5-S191 WeakPolarHBondContact CA-OG 3.2Å; Y5-S191 PolarHBondContact N-OG 2.99Å; Y5-S191 PolarHBondContact O-OG 3.16Å; G6-S191 PolarHBondContact O-N 3.16Å; G6-S191 PolarHBondContact O-OG 3.49Å; N7-S191 WeakPolarHBondContact OD1-CB 3.23Å; N7-S191 PolarHBondContact OD1-OG 2.77Å; S191-R193 PolarHBondContact O-N 3.41Å
192	D	90.2	Very high	95	Very high	86 Å²	86	42.1 Å²	42.1	46%	0.46	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1.4	178.9	63.1	3.5	0	0	0	113.8	Q190 L194	Q190-D192 VanDerWaalsContact C-N 3.31Å; Q190-D192 WeakPolarHBondContact CB-OD1 3.3Å; Q190-D192 PolarHBondContact O-N 3.38Å; D192-L194 PolarHBondContact O-N 3.29Å; D192-L194 WeakPolarHBondContact OD1-CB 3.35Å; D192-L194 PolarHBondContact OD1-N 3.27Å
193	R	89	Confident	94.5	Very high	163 Å²	163	46 Å²	46	62%	0.615	20%	0.199	S	C	*	.	S	Bend	trans	73.3	1.7	-177.9	-49.2	173.1	-179.4	-94.9	-0.1	115	Q190 S191 H195	Q190-R193 PolarHBondContact O-N 3.15Å; S191-R193 PolarHBondContact O-N 3.41Å; R193-H195 PolarHBondContact O-N 3.46Å
194	L	92.8	Very high	93.5	Very high	115 Å²	115	51.8 Å²	51.8	60%	0.602	23%	0.226	S	C	*	.			trans	-81.3	65.8	168.6	-59.9	178.3	0	0	0	109.2	Q190 D192 D196	Q190-L194 WeakPolarHBondContact CG-O 3.32Å; D192-L194 PolarHBondContact O-N 3.29Å; D192-L194 WeakPolarHBondContact OD1-CB 3.35Å; D192-L194 PolarHBondContact OD1-N 3.27Å; L194-D196 PolarHBondContact O-N 3.36Å
195	H	94.3	Very high	91.8	Very high	23 Å²	23	56.5 Å²	56.5	11%	0.106	27%	0.266	C	S	.	.			trans	-61.1	135.2	-178.4	-54.3	-34.2	0	0	0	110.9	R2 W187 Q190 R193 P226	R2-H195 PolarHBondContact NH2-CE1 2.9Å; R2-H195 PolarHBondContact NH2-NE2 2.74Å; W187-H195 AromaticContact CE2-CD2 3.94Å; W187-H195 AromaticContact CE2-CG 3.79Å; W187-H195 HydrophobicContact CZ2-CB 3.79Å; W187-H195 AromaticContact CZ2-CD2 3.35Å; W187-H195 WeakPolarHBondContact CZ2-CD2 3.44Å; W187-H195 AromaticContact CZ2-CG 3.37Å; W187-H195 AromaticContact CZ2-ND1 3.89Å; W187-H195 AromaticContact CZ2-NE2 3.81Å; W187-H195 AromaticContact NE1-CD2 3.99Å; W187-H195 AromaticContact NE1-CG 3.92Å; Q190-H195 PolarHBondContact N-ND1 2.83Å; Q190-H195 VanDerWaalsContact N-ND1 3.19Å; Q190-H195 PolarHBondContact O-CE1 3.43Å; Q190-H195 PolarHBondContact O-ND1 2.67Å; R193-H195 PolarHBondContact O-N 3.46Å; H195-P226 HydrophobicContact CB-CB 3.79Å
196	D	96	Very high	89.5	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.053	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.2	178	-60.9	-60.4	0	0	0	109.2	I11 L12 W187 Q188 Q190 L194 R223	I11-D196 WeakPolarHBondContact CA-OD2 3.35Å; L12-D196 HydrophobicContact CB-CB 3.71Å; L12-D196 HydrophobicContact CG-CB 4.48Å; L12-D196 PolarHBondContact N-OD2 3.14Å; W187-D196 CarbonylContact C-O 3.55Å; W187-D196 VanDerWaalsContact CA-O 3.28Å; W187-D196 WeakPolarHBondContact CA-O 3.47Å; Q188-D196 HydrophobicContact CB-CB 4.23Å; Q188-D196 PolarHBondContact N-O 3.33Å; Q188-D196 PolarHBondContact O-N 2.82Å; Q190-D196 PolarHBondContact NE2-OD2 2.82Å; L194-D196 PolarHBondContact O-N 3.36Å; D196-R223 IonicContact OD1-CZ 3.78Å; D196-R223 IonicContact OD1-NH1 3.55Å; D196-R223 PolarHBondContact OD1-NH1 3.28Å; D196-R223 IonicContact OD1-NH2 2.77Å
197	R	97.7	Very high	87.2	Confident	45 Å²	45	64.9 Å²	64.9	17%	0.17	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	101.1	-180	-61.7	-178.2	64.4	-164.1	0.4	109.2	E185 F186 W187 R223 L224 S225	E185-R197 IonicContact OE1-CZ 3.36Å; E185-R197 VanDerWaalsContact OE1-CZ 3.3Å; E185-R197 IonicContact OE1-NE 2.78Å; E185-R197 PolarHBondContact OE1-NE 3.22Å; E185-R197 IonicContact OE1-NH2 3.7Å; E185-R197 PolarHBondContact OE1-NH2 2.66Å; E185-R197 IonicContact OE2-NH2 3.4Å; E185-R197 PolarHBondContact OE2-NH2 3.4Å; E185-R197 VanDerWaalsContact OE2-NH2 3.14Å; F186-R197 WeakPolarHBondContact O-CA 3.49Å; W187-R197 HydrophobicContact CG-CG 4.36Å; R197-R223 CarbonylContact O-C 3.6Å; R197-R223 VanDerWaalsContact O-CA 3.29Å; R197-R223 WeakPolarHBondContact O-CA 3.46Å; R197-L224 HydrophobicContact CB-CB 3.85Å; R197-L224 PolarHBondContact O-N 2.77Å; R197-S225 VanDerWaalsContact CD-O 3.31Å; R197-S225 WeakPolarHBondContact CD-O 3.41Å; R197-S225 PolarHBondContact NH1-O 3.1Å
198	L	97.8	Very high	85.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.5	174.2	-63	-168.2	0	0	0	109.8	L12 E14 V17 E185 F186 F200 I221 R223	L12-L198 HydrophobicContact CD1-CD1 3.9Å; L12-L198 HydrophobicContact CD2-CB 4.11Å; L12-L198 HydrophobicContact CD2-CD1 3.98Å; L12-L198 HydrophobicContact CD2-CG 3.82Å; L12-L198 HydrophobicContact CG-CD1 3.6Å; L12-L198 HydrophobicContact CG-CG 3.85Å; E14-L198 HydrophobicContact CG-CD2 3.71Å; V17-L198 HydrophobicContact CG1-CD1 3.62Å; E185-L198 WeakPolarHBondContact CA-O 3.4Å; F186-L198 PolarHBondContact N-O 2.77Å; F186-L198 PolarHBondContact O-N 2.97Å; L198-F200 HydrophobicContact CB-CE2 4.48Å; L198-I221 HydrophobicContact CB-CG2 4.45Å; L198-R223 HydrophobicContact CD2-CB 4.02Å
199	R	97.8	Very high	83.2	Confident	61 Å²	61	80.4 Å²	80.4	23%	0.23	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.7	175.4	177.9	178.3	64.7	178.1	3.4	110.1	E183 I221 E222 L224	E183-R199 HydrophobicContact CG-CG 3.8Å; E183-R199 WeakPolarHBondContact OE1-CD 3.41Å; E183-R199 IonicContact OE1-NH1 4Å; E183-R199 WeakPolarHBondContact OE2-CD 3.49Å; E183-R199 IonicContact OE2-NH1 2.74Å; R199-I221 CarbonylContact O-C 3.48Å; R199-I221 WeakPolarHBondContact O-CA 3.06Å; R199-E222 IonicContact CZ-OE2 3.4Å; R199-E222 PolarHBondContact N-O 3.03Å; R199-E222 IonicContact NE-OE2 3.36Å; R199-E222 PolarHBondContact NE-OE2 2.76Å; R199-E222 IonicContact NH2-OE2 3.65Å; R199-E222 PolarHBondContact NH2-OE2 3.46Å; R199-E222 PolarHBondContact O-N 3.27Å; R199-L224 HydrophobicContact CB-CD1 3.99Å; R199-L224 HydrophobicContact CB-CG 4.14Å
200	F	97.2	Very high	81.2	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.3	166.2	-66.5	-107.9	0	0	0	108.1	V17 P22 M25 E183 V184 F186 L198 W219 I220 I221	V17-F200 HydrophobicContact CG1-CZ 4.26Å; P22-F200 HydrophobicContact CB-CB 3.78Å; P22-F200 HydrophobicContact CB-CD1 4.06Å; P22-F200 HydrophobicContact CB-CD2 4.37Å; P22-F200 HydrophobicContact CB-CG 3.83Å; P22-F200 HydrophobicContact CG-CB 4.11Å; P22-F200 HydrophobicContact CG-CD1 4.47Å; P22-F200 HydrophobicContact CG-CG 4.46Å; M25-F200 HydrophobicContact CB-CZ 4.28Å; M25-F200 HydrophobicContact CG-CE2 4.39Å; M25-F200 HydrophobicContact CG-CZ 4.33Å; E183-F200 CarbonylContact C-O 3.54Å; E183-F200 VanDerWaalsContact CA-O 3.26Å; E183-F200 WeakPolarHBondContact CA-O 3.45Å; V184-F200 HydrophobicContact CB-CB 4.46Å; V184-F200 PolarHBondContact N-O 3.05Å; V184-F200 PolarHBondContact O-N 3Å; F186-F200 AromaticContact CD2-CD2 3.65Å; F186-F200 HydrophobicContact CD2-CD2 3.65Å; F186-F200 AromaticContact CD2-CE2 3.54Å; F186-F200 HydrophobicContact CD2-CE2 3.54Å; F186-F200 AromaticContact CE2-CD2 3.73Å; F186-F200 HydrophobicContact CE2-CD2 3.73Å; F186-F200 AromaticContact CE2-CE2 3.74Å; F186-F200 HydrophobicContact CE2-CE2 3.74Å; L198-F200 HydrophobicContact CB-CE2 4.48Å; F200-W219 HydrophobicContact CB-CE3 4Å; F200-W219 HydrophobicContact CB-CZ3 4.41Å; F200-I220 VanDerWaalsContact CA-O 3.27Å; F200-I220 WeakPolarHBondContact CA-O 3.5Å; F200-I221 HydrophobicContact CD1-CD1 4.15Å; F200-I221 HydrophobicContact CD1-CG1 3.74Å; F200-I221 HydrophobicContact CE1-CD1 3.43Å; F200-I221 VanDerWaalsContact CE1-CD1 3.43Å; F200-I221 HydrophobicContact CE1-CG1 3.54Å; F200-I221 HydrophobicContact CE2-CG2 4.45Å; F200-I221 HydrophobicContact CG-CG1 4.45Å; F200-I221 HydrophobicContact CZ-CD1 3.82Å; F200-I221 HydrophobicContact CZ-CG1 4.09Å; F200-I221 HydrophobicContact CZ-CG2 4.35Å
201	R	95.5	Very high	79.2	Confident	74 Å²	74	92.4 Å²	92.4	28%	0.279	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.8	172.2	66.3	178	176	89.3	-7.1	111.3	R203 W219 I220 E222	R201-R203 PolarHBondContact O-N 3.5Å; R201-W219 WeakPolarHBondContact O-CA 3.47Å; R201-I220 HydrophobicContact CG-CD1 3.94Å; R201-I220 HydrophobicContact CG-CG1 3.48Å; R201-I220 VanDerWaalsContact CG-CG1 3.48Å; R201-I220 PolarHBondContact N-O 2.72Å; R201-I220 VanDerWaalsContact NE-CD1 3.33Å; R201-I220 PolarHBondContact O-N 2.98Å; R201-E222 IonicContact CZ-OE1 2.82Å; R201-E222 IonicContact CZ-OE2 3.32Å; R201-E222 VanDerWaalsContact NE-CD 3.32Å; R201-E222 IonicContact NE-OE1 2.66Å; R201-E222 PolarHBondContact NE-OE1 3.07Å; R201-E222 VanDerWaalsContact NE-OE1 3.13Å; R201-E222 IonicContact NE-OE2 3.14Å; R201-E222 PolarHBondContact NE-OE2 3.37Å; R201-E222 IonicContact NH2-OE1 3.87Å; R201-E222 PolarHBondContact NH2-OE1 3.04Å; R201-E222 IonicContact NH2-OE2 3.18Å
202	R	90.9	Very high	77.4	Confident	117 Å²	117	95.6 Å²	95.6	44%	0.442	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.7	171.9	-68.4	-174.4	179.9	-98.9	0.9	109.6	P181 A182 Q204 T218 W219	P181-R202 PolarHBondContact O-NE 3.15Å; P181-R202 PolarHBondContact O-NH2 3.08Å; A182-R202 PolarHBondContact O-N 2.75Å; A182-R202 VanDerWaalsContact O-N 3.12Å; R202-Q204 PolarHBondContact O-N 3.27Å; R202-T218 CarbonylContact C-O 3.55Å; R202-T218 WeakPolarHBondContact CA-O 3.38Å; R202-W219 HydrophobicContact CG-CD2 4.2Å; R202-W219 HydrophobicContact CG-CE3 4.11Å; R202-W219 HydrophobicContact CG-CH2 3.57Å; R202-W219 HydrophobicContact CG-CZ2 3.66Å; R202-W219 HydrophobicContact CG-CZ3 3.81Å
203	R	86.2	Confident	75.4	Confident	129 Å²	129	95.7 Å²	95.7	49%	0.487	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-65.3	130	170.3	-161.6	177.8	-78.9	-178	1.3	107.1	R201 T218 I220	R201-R203 PolarHBondContact O-N 3.5Å; R203-T218 PolarHBondContact N-O 3.1Å; R203-I220 HydrophobicContact CB-CG2 4.26Å; R203-I220 HydrophobicContact CG-CG2 4.3Å
204	Q	75.5	Confident	73.6	Confident	162 Å²	162	94 Å²	94	76%	0.757	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-64.5	142.1	171.9	-71.8	-176.5	-17.6	0	0	108.2	R202 V206	R202-Q204 PolarHBondContact O-N 3.27Å; Q204-V206 PolarHBondContact O-N 3.49Å
205	A	62.5	Low	71.6	Confident	101 Å²	101	93.8 Å²	93.8	84%	0.835	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-56.8	117.4	172.7	0	0	0	0	0	107.9
206	V	51.9	Low	69.6	Low	97 Å²	97	100.6 Å²	100.6	59%	0.588	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-72.9	141	165	-156.5	0	0	0	0	105.5	Q204 D210	Q204-V206 PolarHBondContact O-N 3.49Å; V206-D210 WeakPolarHBondContact CG1-OD2 3.31Å
207	S	49.1	Very low	68.1	Low	85 Å²	85	104.8 Å²	104.8	59%	0.594	54%	0.542	S	S	*	.			trans	-37.7	156.9	-168.2	47	0	0	0	0	116.5	H209 D210	S207-H209 PolarHBondContact O-N 3.5Å; S207-D210 PolarHBondContact O-N 3.22Å; S207-D210 VanDerWaalsContact O-N 3.16Å
208	E	52.7	Low	67.5	Low	193 Å²	193	104.5 Å²	104.5	90%	0.902	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	0.2	-177.1	-64.3	-178.8	159.1	0	0	117.9
209	H	55.6	Low	67.3	Low	177 Å²	177	105.7 Å²	105.7	82%	0.819	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-3	-179.2	-72.1	11.9	0	0	0	114.3	S207	S207-H209 PolarHBondContact O-N 3.5Å
210	D	51.7	Low	67.1	Low	105 Å²	105	104.3 Å²	104.3	56%	0.561	55%	0.547	S	S	*	.	S	Bend	trans	-93.9	140.5	170.8	-70.1	-34.9	0	0	0	110.5	V206 S207	V206-D210 WeakPolarHBondContact CG1-OD2 3.31Å; S207-D210 PolarHBondContact O-N 3.22Å; S207-D210 VanDerWaalsContact O-N 3.16Å
211	D	50.7	Low	67	Low	152 Å²	152	106.4 Å²	106.4	81%	0.813	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-48.9	141.2	172.1	-81.8	-41.8	0	0	0	110.3	P213	D211-P213 VanDerWaalsContact O-N 3.11Å
212	P	49.7	Very low	67	Low	112 Å²	112	105.4 Å²	105.4	73%	0.727	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-54.1	125.1	-178.8	20.9	-30.9	0	0	0	108.8	N214	P212-N214 PolarHBondContact O-N 3.16Å; P212-N214 VanDerWaalsContact O-N 3.09Å
213	P	49.8	Very low	67.3	Low	89 Å²	89	104.2 Å²	104.2	58%	0.578	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-57.3	125.4	-174.6	19.5	-29.9	0	0	0	108.4	D211 T215	D211-P213 VanDerWaalsContact O-N 3.11Å; P213-T215 PolarHBondContact O-N 3.09Å; P213-T215 VanDerWaalsContact O-N 3.07Å
214	N	49.8	Very low	67.9	Low	127 Å²	127	100 Å²	100	68%	0.679	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-47.8	122.3	174.4	-162.6	-9.5	0	0	0	107.5	P212 K216 D217	P212-N214 PolarHBondContact O-N 3.16Å; P212-N214 VanDerWaalsContact O-N 3.09Å; N214-K216 PolarHBondContact O-N 2.77Å; N214-D217 PolarHBondContact O-N 3.02Å
215	T	51.6	Low	68.9	Low	111 Å²	111	96.7 Å²	96.7	68%	0.681	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-55.6	-16.4	-160.4	46.7	0	0	0	0	114.8	P213	P213-T215 PolarHBondContact O-N 3.09Å; P213-T215 VanDerWaalsContact O-N 3.07Å
216	K	52.4	Low	70.4	Confident	165 Å²	165	96.4 Å²	96.4	72%	0.717	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-75.7	-15.5	179.9	-64.1	-174.2	177.6	-178.8	0	115.2	N214	N214-K216 PolarHBondContact O-N 2.77Å
217	D	63.2	Low	71.3	Confident	98 Å²	98	96.4 Å²	96.4	52%	0.524	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-119	33.9	-171.7	-118.4	13.4	0	0	0	113.5	N214	N214-D217 PolarHBondContact O-N 3.02Å
218	T	86.7	Confident	72.5	Confident	39 Å²	39	97 Å²	97	24%	0.239	52%	0.516	C	S	.	.			trans	-84	-10.5	-176.9	58	0	0	0	0	114.2	R202 R203	R202-T218 CarbonylContact C-O 3.55Å; R202-T218 WeakPolarHBondContact CA-O 3.38Å; R203-T218 PolarHBondContact N-O 3.1Å
219	W	92.8	Very high	73.6	Confident	26 Å²	26	91.7 Å²	91.7	10%	0.098	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.8	179.4	-68.8	93.8	0	0	0	110.9	P22 P181 A182 F200 R201 R202	P22-W219 HydrophobicContact CG-CD2 3.79Å; P22-W219 HydrophobicContact CG-CE3 3.88Å; P22-W219 HydrophobicContact CG-CG 4.43Å; P22-W219 HydrophobicContact CG-CH2 3.95Å; P22-W219 HydrophobicContact CG-CZ2 3.84Å; P22-W219 HydrophobicContact CG-CZ3 3.96Å; P181-W219 HydrophobicContact CB-CH2 4.19Å; P181-W219 HydrophobicContact CG-CH2 4.48Å; P181-W219 HydrophobicContact CG-CZ2 4.46Å; P181-W219 WeakPolarHBondContact O-CH2 3.15Å; A182-W219 VanDerWaalsContact O-CZ3 3.24Å; A182-W219 WeakPolarHBondContact O-CZ3 3.03Å; F200-W219 HydrophobicContact CB-CE3 4Å; F200-W219 HydrophobicContact CB-CZ3 4.41Å; R201-W219 WeakPolarHBondContact O-CA 3.47Å; R202-W219 HydrophobicContact CG-CD2 4.2Å; R202-W219 HydrophobicContact CG-CE3 4.11Å; R202-W219 HydrophobicContact CG-CH2 3.57Å; R202-W219 HydrophobicContact CG-CZ2 3.66Å; R202-W219 HydrophobicContact CG-CZ3 3.81Å
220	I	93.8	Very high	74.6	Confident	32 Å²	32	86.6 Å²	86.6	16%	0.164	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.6	168.3	68.7	165.4	0	0	0	110.4	F200 R201 R203 E222	F200-I220 VanDerWaalsContact CA-O 3.27Å; F200-I220 WeakPolarHBondContact CA-O 3.5Å; R201-I220 HydrophobicContact CG-CD1 3.94Å; R201-I220 HydrophobicContact CG-CG1 3.48Å; R201-I220 VanDerWaalsContact CG-CG1 3.48Å; R201-I220 PolarHBondContact N-O 2.72Å; R201-I220 VanDerWaalsContact NE-CD1 3.33Å; R201-I220 PolarHBondContact O-N 2.98Å; R203-I220 HydrophobicContact CB-CG2 4.26Å; R203-I220 HydrophobicContact CG-CG2 4.3Å; I220-E222 HydrophobicContact CD1-CG 4.34Å
221	I	95.1	Very high	76.1	Confident	44 Å²	44	85.5 Å²	85.5	23%	0.226	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.9	-177.3	-49.1	178.6	0	0	0	108.2	V17 K20 L198 R199 F200	V17-I221 HydrophobicContact CG1-CD1 4.47Å; V17-I221 HydrophobicContact CG2-CD1 3.9Å; K20-I221 HydrophobicContact CD-CD1 4.2Å; L198-I221 HydrophobicContact CB-CG2 4.45Å; R199-I221 CarbonylContact O-C 3.48Å; R199-I221 WeakPolarHBondContact O-CA 3.06Å; F200-I221 HydrophobicContact CD1-CD1 4.15Å; F200-I221 HydrophobicContact CD1-CG1 3.74Å; F200-I221 HydrophobicContact CE1-CD1 3.43Å; F200-I221 VanDerWaalsContact CE1-CD1 3.43Å; F200-I221 HydrophobicContact CE1-CG1 3.54Å; F200-I221 HydrophobicContact CE2-CG2 4.45Å; F200-I221 HydrophobicContact CG-CG1 4.45Å; F200-I221 HydrophobicContact CZ-CD1 3.82Å; F200-I221 HydrophobicContact CZ-CG1 4.09Å; F200-I221 HydrophobicContact CZ-CG2 4.35Å
222	E	95.2	Very high	77.8	Confident	53 Å²	53	81.1 Å²	81.1	25%	0.248	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140	179.9	-65.4	170.1	152	0	0	109.7	R199 R201 I220	R199-E222 IonicContact CZ-OE2 3.4Å; R199-E222 PolarHBondContact N-O 3.03Å; R199-E222 IonicContact NE-OE2 3.36Å; R199-E222 PolarHBondContact NE-OE2 2.76Å; R199-E222 IonicContact NH2-OE2 3.65Å; R199-E222 PolarHBondContact NH2-OE2 3.46Å; R199-E222 PolarHBondContact O-N 3.27Å; R201-E222 IonicContact CZ-OE1 2.82Å; R201-E222 IonicContact CZ-OE2 3.32Å; R201-E222 VanDerWaalsContact NE-CD 3.32Å; R201-E222 IonicContact NE-OE1 2.66Å; R201-E222 PolarHBondContact NE-OE1 3.07Å; R201-E222 VanDerWaalsContact NE-OE1 3.13Å; R201-E222 IonicContact NE-OE2 3.14Å; R201-E222 PolarHBondContact NE-OE2 3.37Å; R201-E222 IonicContact NH2-OE1 3.87Å; R201-E222 PolarHBondContact NH2-OE1 3.04Å; R201-E222 IonicContact NH2-OE2 3.18Å; I220-E222 HydrophobicContact CD1-CG 4.34Å
223	R	97.6	Very high	79.8	Confident	91 Å²	91	78.9 Å²	78.9	34%	0.343	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.6	168.6	174.2	175.2	-63	-88.9	-4.2	110.8	L12 E14 D196 R197 L198	L12-R223 PolarHBondContact O-NH2 3.44Å; E14-R223 WeakPolarHBondContact OE1-CB 3.29Å; E14-R223 WeakPolarHBondContact OE1-CD 3.5Å; E14-R223 IonicContact OE1-CZ 3Å; E14-R223 IonicContact OE1-NE 2.68Å; E14-R223 PolarHBondContact OE1-NE 3.28Å; E14-R223 IonicContact OE1-NH2 3.05Å; E14-R223 IonicContact OE2-CZ 3.52Å; E14-R223 IonicContact OE2-NE 2.62Å; E14-R223 PolarHBondContact OE2-NE 3.14Å; E14-R223 IonicContact OE2-NH2 2.76Å; E14-R223 PolarHBondContact OE2-NH2 3.24Å; D196-R223 IonicContact OD1-CZ 3.78Å; D196-R223 IonicContact OD1-NH1 3.55Å; D196-R223 PolarHBondContact OD1-NH1 3.28Å; D196-R223 IonicContact OD1-NH2 2.77Å; R197-R223 CarbonylContact O-C 3.6Å; R197-R223 VanDerWaalsContact O-CA 3.29Å; R197-R223 WeakPolarHBondContact O-CA 3.46Å; L198-R223 HydrophobicContact CD2-CB 4.02Å
224	L	98.1	Very high	82.1	Confident	40 Å²	40	78.1 Å²	78.1	21%	0.209	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.8	171.9	-53.1	-179.4	0	0	0	110	R197 R199	R197-L224 HydrophobicContact CB-CB 3.85Å; R197-L224 PolarHBondContact O-N 2.77Å; R199-L224 HydrophobicContact CB-CD1 3.99Å; R199-L224 HydrophobicContact CB-CG 4.14Å
225	S	97.2	Very high	84.8	Confident	94 Å²	94	74 Å²	74	66%	0.657	39%	0.394	S	S	*	.			trans	-65.3	144.8	168.6	59.3	0	0	0	0	110.5	R197	R197-S225 VanDerWaalsContact CD-O 3.31Å; R197-S225 WeakPolarHBondContact CD-O 3.41Å; R197-S225 PolarHBondContact NH1-O 3.1Å
226	P	93.4	Very high	87.8	Confident	95 Å²	95	70.6 Å²	70.6	62%	0.617	37%	0.368	S	S	*	.			trans	-59.4	0	177.3	28.7	-38	0	0	0	113.6	H195	H195-P226 HydrophobicContact CB-CB 3.79Å

Retrieved 226 of 226 residues in 70.1 ms (Link to these results)

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