RS4X_HUMAN Loading...

Small ribosomal subunit protein eS4, X isoform

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell¹. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome².

AlphaFold DB , UniProt , Accession P62701, Species HUMAN (Homo sapiens, Human), Gene RPS4X, Length 263 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74.5	Confident	92.7	Very high	196 Å²	196	120 Å²	120	97%	0.966	61%	0.612	S	S	*	*				0	146.3	0	-63	177.2	179.8	0	0	109.2	R3	M1-R3 HydrophobicContact CB-CG 4.44Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-R3 VanDerWaalsContact O-N 3.08Å
2	A	89.2	Confident	93	Very high	108 Å²	108	120.8 Å²	120.8	89%	0.893	63%	0.626	S	S	*	*			trans	-84	60.5	179.2	0	0	0	0	0	111.1
3	R	91.5	Very high	93.2	Very high	227 Å²	227	115 Å²	115	86%	0.857	61%	0.607	S	S	*	*	S	Bend	trans	-123.4	20.7	-177.5	-65.4	-173.3	-179	174.2	-0.3	113	M1	M1-R3 HydrophobicContact CB-CG 4.44Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-R3 VanDerWaalsContact O-N 3.08Å
4	G	94.4	Very high	93.5	Very high	49 Å²	49	107.8 Å²	107.8	51%	0.505	57%	0.572	S	S	.	*	S	Bend	trans	147.3	-174.6	-176.1	0	0	0	0	0	113.3	K6	G4-K6 PolarHBondContact O-N 2.88Å
5	P	94.4	Very high	93.7	Very high	119 Å²	119	101.2 Å²	101.2	77%	0.773	54%	0.537	S	S	*	.			trans	-62.4	127.6	-179.5	25.9	-33.7	0	0	0	110.6	K7	P5-K7 PolarHBondContact O-N 3.14Å
6	K	94.3	Very high	93.9	Very high	158 Å²	158	107.5 Å²	107.5	69%	0.687	56%	0.559	S	S	*	*			trans	-61.8	132.2	174.6	-64.2	-176.4	179.8	-179.3	0	108.9	G4 R30	G4-K6 PolarHBondContact O-N 2.88Å; K6-R30 PolarHBondContact O-NE 3.41Å; K6-R30 VanDerWaalsContact O-NE 3.12Å; K6-R30 PolarHBondContact O-NH1 3.08Å; K6-R30 PolarHBondContact O-NH2 2.98Å
7	K	95	Very high	94	Very high	175 Å²	175	103.1 Å²	103.1	76%	0.761	54%	0.535	S	S	*	.			trans	-99.2	-13.1	178.4	-63.4	-174.4	179.4	-178.8	0	114.4	P5 R30	P5-K7 PolarHBondContact O-N 3.14Å; K7-R30 WeakPolarHBondContact O-CD 3.49Å
8	H	96.3	Very high	94.1	Very high	135 Å²	135	97.4 Å²	97.4	63%	0.625	51%	0.505	S	S	*	.			trans	-113	152.5	-176.3	-61.5	93.2	0	0	0	111.7	F27 R30	H8-F27 HydrophobicContact CB-CD1 4.33Å; H8-F27 HydrophobicContact CB-CE1 4.15Å; H8-R30 PolarHBondContact O-NH1 3.42Å
9	L	96.7	Very high	94.2	Very high	15 Å²	15	96.3 Å²	96.3	8%	0.079	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	170.9	-177.2	63.3	0	0	0	108.3	A13 A14 W18 A28 R30	L9-A13 HydrophobicContact CD1-CB 4.44Å; L9-A14 HydrophobicContact CD2-CB 4.2Å; L9-W18 HydrophobicContact CD2-CH2 3.95Å; L9-W18 HydrophobicContact CD2-CZ3 3.73Å; L9-A28 HydrophobicContact CD2-CB 4.17Å; L9-A28 HydrophobicContact CG-CB 4.24Å; L9-A28 PolarHBondContact O-N 2.93Å; L9-R30 HydrophobicContact CB-CB 3.93Å; L9-R30 HydrophobicContact CB-CG 4.18Å
10	K	97.2	Very high	94.2	Very high	108 Å²	108	93.1 Å²	93.1	47%	0.47	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.4	173.9	-68.7	-69.4	-171.2	167.5	0	109.2	V12 A13 A14 V26 F27	K10-V12 HydrophobicContact CB-CG2 4.41Å; K10-V12 PolarHBondContact O-N 3.24Å; K10-A13 HydrophobicContact CB-CB 4.16Å; K10-A13 PolarHBondContact O-N 2.97Å; K10-A14 PolarHBondContact O-N 2.84Å; K10-V26 HydrophobicContact CD-CG1 4.05Å; K10-F27 HydrophobicContact CD-CD1 4.36Å; K10-F27 HydrophobicContact CD-CE1 4.18Å
11	R	96.6	Very high	94.3	Very high	30 Å²	30	91.6 Å²	91.6	11%	0.113	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-62	-43.6	-174.1	-167.7	173	-73.2	-158.6	6	113.1	A13 A14 L20 D21 T24 G25 V26 F27 A28	R11-A13 PolarHBondContact O-N 3.42Å; R11-A14 WeakPolarHBondContact O-CB 3.43Å; R11-A14 PolarHBondContact O-N 3.34Å; R11-A14 VanDerWaalsContact O-N 3.12Å; R11-L20 HydrophobicContact CG-CB 4.12Å; R11-L20 HydrophobicContact CG-CD1 4.2Å; R11-D21 WeakPolarHBondContact CD-O 3.37Å; R11-D21 IonicContact NH1-OD1 3.08Å; R11-D21 PolarHBondContact NH1-OD1 3.32Å; R11-D21 IonicContact NH1-OD2 3.3Å; R11-D21 PolarHBondContact NH1-OD2 2.89Å; R11-T24 PolarHBondContact NH1-OG1 3.02Å; R11-G25 VanDerWaalsContact CD-O 3.25Å; R11-G25 WeakPolarHBondContact CD-O 3.45Å; R11-G25 PolarHBondContact NE-O 2.99Å; R11-G25 VanDerWaalsContact NE-O 3.15Å; R11-V26 WeakPolarHBondContact CB-O 3.3Å; R11-V26 PolarHBondContact N-O 2.94Å; R11-F27 PolarHBondContact NE-O 2.8Å; R11-A28 HydrophobicContact CB-CB 4.43Å; R11-A28 HydrophobicContact CG-CB 4.43Å
12	V	95.7	Very high	95.2	Very high	130 Å²	130	90.9 Å²	90.9	79%	0.788	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22	174.7	-63.7	0	0	0	0	113.9	K10	K10-V12 HydrophobicContact CB-CG2 4.41Å; K10-V12 PolarHBondContact O-N 3.24Å
13	A	96.5	Very high	95.5	Very high	45 Å²	45	93.6 Å²	93.6	37%	0.372	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-93.4	-3.1	178.4	0	0	0	0	0	113	L9 K10 R11 R39	L9-A13 HydrophobicContact CD1-CB 4.44Å; K10-A13 HydrophobicContact CB-CB 4.16Å; K10-A13 PolarHBondContact O-N 2.97Å; R11-A13 PolarHBondContact O-N 3.42Å; A13-R39 PolarHBondContact O-NH1 3.01Å; A13-R39 PolarHBondContact O-NH2 2.96Å
14	A	96.8	Very high	95.6	Very high	14 Å²	14	87.8 Å²	87.8	12%	0.116	46%	0.455	C	S	.	.	S	Bend	trans	-68	158.2	178.6	0	0	0	0	0	111.8	L9 K10 R11 K16 W18 L20 A28	L9-A14 HydrophobicContact CD2-CB 4.2Å; K10-A14 PolarHBondContact O-N 2.84Å; R11-A14 WeakPolarHBondContact O-CB 3.43Å; R11-A14 PolarHBondContact O-N 3.34Å; R11-A14 VanDerWaalsContact O-N 3.12Å; A14-K16 PolarHBondContact O-N 3.27Å; A14-W18 HydrophobicContact CB-CE3 3.88Å; A14-W18 HydrophobicContact CB-CZ3 4.05Å; A14-L20 HydrophobicContact CB-CD1 4.05Å; A14-A28 HydrophobicContact CB-CB 3.76Å
15	P	96.9	Very high	95.4	Very high	9 Å²	9	86.8 Å²	86.8	6%	0.058	45%	0.445	C	S	.	.			trans	-55.7	128.6	172.8	-24.2	34	0	0	0	112.6	H17 W18	P15-H17 WeakPolarHBondContact CB-CE1 3.46Å; P15-H17 WeakPolarHBondContact CB-ND1 3.5Å; P15-H17 PolarHBondContact O-N 3.01Å; P15-W18 HydrophobicContact CB-CD2 4.15Å; P15-W18 HydrophobicContact CB-CG 4.22Å; P15-W18 HydrophobicContact CB-CZ2 4.44Å; P15-W18 HydrophobicContact CG-CD2 3.99Å; P15-W18 HydrophobicContact CG-CE3 4.38Å; P15-W18 HydrophobicContact CG-CH2 3.95Å; P15-W18 HydrophobicContact CG-CZ2 3.56Å; P15-W18 HydrophobicContact CG-CZ3 4.38Å; P15-W18 WeakPolarHBondContact O-CB 3.43Å; P15-W18 PolarHBondContact O-N 3.49Å
16	K	96.2	Very high	95.5	Very high	202 Å²	202	85.6 Å²	85.6	88%	0.878	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-57.1	-34.4	-178	-172.2	176	-179.5	179.5	0	112.9	A14 W18 M19	A14-K16 PolarHBondContact O-N 3.27Å; K16-W18 PolarHBondContact O-N 3.08Å; K16-M19 PolarHBondContact O-N 3.25Å; K16-M19 VanDerWaalsContact O-N 3.1Å
17	H	95.8	Very high	95.7	Very high	33 Å²	33	83.1 Å²	83.1	15%	0.153	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-69.6	-9.9	-179.2	71.4	-93.6	0	0	0	113.9	P15 M19 R39 R51 G107 F109	P15-H17 WeakPolarHBondContact CB-CE1 3.46Å; P15-H17 WeakPolarHBondContact CB-ND1 3.5Å; P15-H17 PolarHBondContact O-N 3.01Å; H17-M19 PolarHBondContact O-N 3.48Å; H17-R39 PolarHBondContact CE1-O 3.4Å; H17-R51 PolarHBondContact O-NH2 2.96Å; H17-R51 VanDerWaalsContact O-NH2 3.08Å; H17-G107 VanDerWaalsContact CB-O 3.32Å; H17-G107 WeakPolarHBondContact CB-O 3.32Å; H17-F109 AromaticContact CD2-CD2 3.72Å; H17-F109 AromaticContact CD2-CE2 3.96Å; H17-F109 AromaticContact NE2-CD2 3.86Å; H17-F109 AromaticContact NE2-CE2 3.65Å
18	W	96.5	Very high	95.8	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-72.5	-17.6	170.5	-66.4	-4.3	0	0	0	112.8	L9 A14 P15 K16 L20 P29 P31 C41 L42 P43 I46 R51	L9-W18 HydrophobicContact CD2-CH2 3.95Å; L9-W18 HydrophobicContact CD2-CZ3 3.73Å; A14-W18 HydrophobicContact CB-CE3 3.88Å; A14-W18 HydrophobicContact CB-CZ3 4.05Å; P15-W18 HydrophobicContact CB-CD2 4.15Å; P15-W18 HydrophobicContact CB-CG 4.22Å; P15-W18 HydrophobicContact CB-CZ2 4.44Å; P15-W18 HydrophobicContact CG-CD2 3.99Å; P15-W18 HydrophobicContact CG-CE3 4.38Å; P15-W18 HydrophobicContact CG-CH2 3.95Å; P15-W18 HydrophobicContact CG-CZ2 3.56Å; P15-W18 HydrophobicContact CG-CZ3 4.38Å; P15-W18 WeakPolarHBondContact O-CB 3.43Å; P15-W18 PolarHBondContact O-N 3.49Å; K16-W18 PolarHBondContact O-N 3.08Å; W18-L20 VanDerWaalsContact C-N 3.28Å; W18-L20 HydrophobicContact CB-CG 4.07Å; W18-L20 HydrophobicContact CE3-CD1 4.02Å; W18-L20 PolarHBondContact O-N 3.37Å; W18-P29 WeakPolarHBondContact CZ3-O 3.34Å; W18-P31 HydrophobicContact CH2-CG 3.58Å; W18-P31 HydrophobicContact CZ2-CG 3.85Å; W18-C41 PolarHBondContact NE1-O 3.15Å; W18-L42 HydrophobicContact CG-CD1 4.45Å; W18-P43 HydrophobicContact CH2-CG 3.88Å; W18-P43 HydrophobicContact CZ2-CG 3.9Å; W18-P43 HydrophobicContact CZ3-CG 4.32Å; W18-I46 HydrophobicContact CB-CD1 4.05Å; W18-I46 HydrophobicContact CD2-CD1 3.49Å; W18-I46 VanDerWaalsContact CD2-CD1 3.49Å; W18-I46 HydrophobicContact CE3-CD1 3.29Å; W18-I46 HydrophobicContact CG-CD1 3.84Å; W18-I46 HydrophobicContact CZ3-CD1 3.97Å; W18-R51 PolarHBondContact O-NH1 3.23Å; W18-R51 PolarHBondContact O-NH2 3.11Å
19	M	95.1	Very high	95.8	Very high	77 Å²	77	69.8 Å²	69.8	38%	0.379	37%	0.369	S	S	.	.			trans	54.8	44.2	-179.9	-49	-177.5	-117.8	0	0	111.9	K16 H17 R108	K16-M19 PolarHBondContact O-N 3.25Å; K16-M19 VanDerWaalsContact O-N 3.1Å; H17-M19 PolarHBondContact O-N 3.48Å; M19-R108 HydrophobicContact CE-CB 3.76Å; M19-R108 VanDerWaalsContact CE-CD 3.49Å; M19-R108 HydrophobicContact CE-CG 4.02Å
20	L	95.5	Very high	95.8	Very high	32 Å²	32	73 Å²	73	17%	0.168	38%	0.38	C	S	.	.			trans	-78.6	135.4	171.1	-62.1	-177.9	0	0	0	109.2	R11 A14 W18 A28 I46	R11-L20 HydrophobicContact CG-CB 4.12Å; R11-L20 HydrophobicContact CG-CD1 4.2Å; A14-L20 HydrophobicContact CB-CD1 4.05Å; W18-L20 VanDerWaalsContact C-N 3.28Å; W18-L20 HydrophobicContact CB-CG 4.07Å; W18-L20 HydrophobicContact CE3-CD1 4.02Å; W18-L20 PolarHBondContact O-N 3.37Å; L20-A28 HydrophobicContact CD1-CB 3.58Å; L20-I46 HydrophobicContact CD1-CD1 4.36Å; L20-I46 HydrophobicContact CD2-CD1 4.2Å
21	D	95.3	Very high	95.9	Very high	62 Å²	62	68.5 Å²	68.5	33%	0.332	36%	0.361	S	S	.	.			trans	-70.4	163.6	174.5	66.2	-70.9	0	0	0	111.3	R11 L23 T24	R11-D21 WeakPolarHBondContact CD-O 3.37Å; R11-D21 IonicContact NH1-OD1 3.08Å; R11-D21 PolarHBondContact NH1-OD1 3.32Å; R11-D21 IonicContact NH1-OD2 3.3Å; R11-D21 PolarHBondContact NH1-OD2 2.89Å; D21-L23 PolarHBondContact OD2-N 3.17Å; D21-T24 PolarHBondContact OD1-OG1 2.82Å; D21-T24 VanDerWaalsContact OD2-CB 3.3Å; D21-T24 WeakPolarHBondContact OD2-CB 3.47Å; D21-T24 VanDerWaalsContact OD2-CG2 3.27Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.31Å; D21-T24 PolarHBondContact OD2-N 2.94Å; D21-T24 PolarHBondContact OD2-OG1 2.9Å
22	K	94	Very high	95.9	Very high	181 Å²	181	69 Å²	69	79%	0.787	37%	0.369	S	S	*	.	S	Bend	trans	-84.3	-22.6	-176.6	-61.9	-177.3	-173.6	176.8	0	114
23	L	94.8	Very high	96	Very high	164 Å²	164	70 Å²	70	86%	0.859	38%	0.376	S	S	*	.	S	Bend	trans	-107.4	-34.4	-157.8	-63.1	177.2	0	0	0	114.3	D21 G25	D21-L23 PolarHBondContact OD2-N 3.17Å; L23-G25 PolarHBondContact O-N 3.4Å
24	T	93	Very high	95.9	Very high	106 Å²	106	69.9 Å²	69.9	65%	0.65	38%	0.379	S	S	*	.	S	Bend	trans	-75.3	4.7	-172	61.6	0	0	0	0	114.1	R11 D21	R11-T24 PolarHBondContact NH1-OG1 3.02Å; D21-T24 PolarHBondContact OD1-OG1 2.82Å; D21-T24 VanDerWaalsContact OD2-CB 3.3Å; D21-T24 WeakPolarHBondContact OD2-CB 3.47Å; D21-T24 VanDerWaalsContact OD2-CG2 3.27Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.31Å; D21-T24 PolarHBondContact OD2-N 2.94Å; D21-T24 PolarHBondContact OD2-OG1 2.9Å
25	G	91.8	Very high	95.9	Very high	28 Å²	28	71 Å²	71	29%	0.289	39%	0.385	S	S	.	.			trans	170.9	157.4	169.8	0	0	0	0	0	115.2	R11 L23	R11-G25 VanDerWaalsContact CD-O 3.25Å; R11-G25 WeakPolarHBondContact CD-O 3.45Å; R11-G25 PolarHBondContact NE-O 2.99Å; R11-G25 VanDerWaalsContact NE-O 3.15Å; L23-G25 PolarHBondContact O-N 3.4Å
26	V	96.8	Very high	96	Very high	94 Å²	94	71.4 Å²	71.4	57%	0.57	39%	0.386	S	S	*	.	S	Bend	trans	-76.8	-31.5	-178.4	179.4	0	0	0	0	112.4	K10 R11	K10-V26 HydrophobicContact CD-CG1 4.05Å; R11-V26 WeakPolarHBondContact CB-O 3.3Å; R11-V26 PolarHBondContact N-O 2.94Å
27	F	97.3	Very high	96	Very high	105 Å²	105	67.3 Å²	67.3	46%	0.461	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	151.5	-175	-62.4	-77.9	0	0	0	112.2	H8 K10 R11	H8-F27 HydrophobicContact CB-CD1 4.33Å; H8-F27 HydrophobicContact CB-CE1 4.15Å; K10-F27 HydrophobicContact CD-CD1 4.36Å; K10-F27 HydrophobicContact CD-CE1 4.18Å; R11-F27 PolarHBondContact NE-O 2.8Å
28	A	97.1	Very high	96	Very high	11 Å²	11	68.2 Å²	68.2	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.2	166.4	0	0	0	0	0	109.7	L9 R11 A14 L20 R30	L9-A28 HydrophobicContact CD2-CB 4.17Å; L9-A28 HydrophobicContact CG-CB 4.24Å; L9-A28 PolarHBondContact O-N 2.93Å; R11-A28 HydrophobicContact CB-CB 4.43Å; R11-A28 HydrophobicContact CG-CB 4.43Å; A14-A28 HydrophobicContact CB-CB 3.76Å; L20-A28 HydrophobicContact CD1-CB 3.58Å; A28-R30 PolarHBondContact O-N 2.78Å; A28-R30 VanDerWaalsContact O-N 3.11Å
29	P	96.9	Very high	96	Very high	20 Å²	20	75 Å²	75	13%	0.13	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-56.1	118.7	167.8	-21.8	33.4	0	0	0	109.7	W18 P31 P43 I45 I46 T81	W18-P29 WeakPolarHBondContact CZ3-O 3.34Å; P29-P31 WeakPolarHBondContact O-CD 3.45Å; P29-P43 HydrophobicContact CB-CB 4.39Å; P29-I45 HydrophobicContact CB-CG2 3.47Å; P29-I45 VanDerWaalsContact CB-CG2 3.47Å; P29-I45 HydrophobicContact CG-CD1 4.3Å; P29-I45 HydrophobicContact CG-CG2 3.62Å; P29-I46 HydrophobicContact CG-CD1 4.32Å; P29-I46 HydrophobicContact CG-CG1 4.06Å; P29-T81 HydrophobicContact CB-CG2 4.26Å
30	R	97.3	Very high	96	Very high	83 Å²	83	75.1 Å²	75.1	31%	0.313	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-85.3	119.5	173.7	-173.6	178.4	-179.2	108.7	3.7	107.6	K6 K7 H8 L9 A28 T81	K6-R30 PolarHBondContact O-NE 3.41Å; K6-R30 VanDerWaalsContact O-NE 3.12Å; K6-R30 PolarHBondContact O-NH1 3.08Å; K6-R30 PolarHBondContact O-NH2 2.98Å; K7-R30 WeakPolarHBondContact O-CD 3.49Å; H8-R30 PolarHBondContact O-NH1 3.42Å; L9-R30 HydrophobicContact CB-CB 3.93Å; L9-R30 HydrophobicContact CB-CG 4.18Å; A28-R30 PolarHBondContact O-N 2.78Å; A28-R30 VanDerWaalsContact O-N 3.11Å; R30-T81 WeakPolarHBondContact O-CB 3.47Å; R30-T81 WeakPolarHBondContact O-CG2 3.41Å
31	P	97.9	Very high	96	Very high	12 Å²	12	73.6 Å²	73.6	8%	0.078	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.6	142.4	178.1	-7.4	15.2	0	0	0	110.5	W18 P29 L38 P43 T81 P83	W18-P31 HydrophobicContact CH2-CG 3.58Å; W18-P31 HydrophobicContact CZ2-CG 3.85Å; P29-P31 WeakPolarHBondContact O-CD 3.45Å; P31-L38 HydrophobicContact CG-CG 4Å; P31-P43 HydrophobicContact CB-CG 4.04Å; P31-P43 HydrophobicContact CG-CG 3.72Å; P31-T81 WeakPolarHBondContact CA-O 3.26Å; P31-P83 HydrophobicContact CB-CB 4.03Å
32	S	97.2	Very high	96.1	Very high	41 Å²	41	70.7 Å²	70.7	29%	0.287	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.7	158.7	168.7	-61.9	0	0	0	0	110.6	G34 D79 T81 P83	S32-G34 PolarHBondContact O-N 3.39Å; S32-D79 VanDerWaalsContact CB-OD2 3.23Å; S32-D79 WeakPolarHBondContact CB-OD2 3.48Å; S32-D79 PolarHBondContact OG-OD2 2.91Å; S32-T81 PolarHBondContact N-O 3.34Å; S32-T81 PolarHBondContact OG-OG1 2.77Å; S32-P83 WeakPolarHBondContact O-CG 3.38Å
33	T	96.9	Very high	96.2	Very high	151 Å²	151	62.1 Å²	62.1	93%	0.926	34%	0.338	S	S	*	.	S	Bend	trans	-69.5	122.1	169.6	50.1	0	0	0	0	109.1
34	G	95.9	Very high	96.3	Very high	42 Å²	42	54.3 Å²	54.3	43%	0.433	30%	0.297	S	S	.	.	S	Bend	trans	-158.9	-156.9	-177.7	0	0	0	0	0	112.7	S32 H36	S32-G34 PolarHBondContact O-N 3.39Å; G34-H36 VanDerWaalsContact C-N 3.31Å; G34-H36 PolarHBondContact O-N 3.37Å
35	P	96.6	Very high	96.5	Very high	38 Å²	38	49.9 Å²	49.9	25%	0.247	27%	0.27	C	S	.	.	S	Bend	trans	-56.9	-40.2	-172.9	-30.3	38.7	0	0	0	114.4	Y82 D143	P35-Y82 WeakPolarHBondContact CG-OH 3.13Å; P35-D143 HydrophobicContact CB-CB 4.07Å; P35-D143 WeakPolarHBondContact CB-O 3.17Å
36	H	97.3	Very high	96.8	Very high	18 Å²	18	48.5 Å²	48.5	8%	0.083	26%	0.256	C	S	.	.	S	Bend	trans	-108.6	149.7	-172.5	-62	-81.8	0	0	0	112	G34 C41 G85 F86 D88 H142	G34-H36 VanDerWaalsContact C-N 3.31Å; G34-H36 PolarHBondContact O-N 3.37Å; H36-C41 HydrophobicContact CB-CB 3.86Å; H36-G85 WeakPolarHBondContact CD2-CA 3.22Å; H36-G85 PolarHBondContact CD2-N 2.72Å; H36-G85 VanDerWaalsContact CD2-N 3.28Å; H36-F86 PolarHBondContact CE1-O 2.81Å; H36-D88 IonicContact CD2-OD1 3.78Å; H36-D88 IonicContact CD2-OD2 2.88Å; H36-D88 PolarHBondContact CD2-OD2 3.35Å; H36-D88 VanDerWaalsContact CD2-OD2 3.3Å; H36-D88 IonicContact CE1-OD1 2.76Å; H36-D88 VanDerWaalsContact NE2-CG 3.28Å; H36-D88 IonicContact NE2-OD1 3.99Å; H36-D88 PolarHBondContact NE2-OD1 3.34Å; H36-D88 IonicContact NE2-OD2 3.73Å; H36-D88 PolarHBondContact NE2-OD2 2.78Å; H36-D88 VanDerWaalsContact NE2-OD2 3.08Å; H36-H142 AromaticContact CE1-CD2 3.94Å; H36-H142 AromaticContact CE1-NE2 3.79Å
37	K	96.7	Very high	96.8	Very high	116 Å²	116	44.1 Å²	44.1	50%	0.504	23%	0.229	S	C	.	.			trans	-68.2	150.6	179.6	-61.4	-178	-163.7	151.8	0	111.3	R39 E40 C41	K37-R39 PolarHBondContact O-N 3.38Å; K37-E40 HydrophobicContact CB-CB 4.37Å; K37-E40 WeakPolarHBondContact CD-OE2 3.23Å; K37-E40 IonicContact NZ-OE1 2.74Å; K37-E40 IonicContact NZ-OE2 2.67Å; K37-E40 CarbonylContact O-C 3.49Å; K37-E40 PolarHBondContact O-N 3.48Å; K37-C41 WeakPolarHBondContact O-CB 3.49Å; K37-C41 PolarHBondContact O-N 3.21Å; K37-C41 PolarHBondContact O-SG 3.06Å; K37-C41 VanDerWaalsContact O-SG 3.39Å
38	L	96.8	Very high	96.7	Very high	51 Å²	51	39.2 Å²	39.2	27%	0.267	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.2	179.2	-178.2	152.8	0	0	0	114.2	P31	P31-L38 HydrophobicContact CG-CG 4Å
39	R	96	Very high	96.7	Very high	144 Å²	144	41 Å²	41	54%	0.543	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.4	-178.9	-64.8	-63.6	-166.5	-176.7	-2.4	113.7	A13 H17 K37	A13-R39 PolarHBondContact O-NH1 3.01Å; A13-R39 PolarHBondContact O-NH2 2.96Å; H17-R39 PolarHBondContact CE1-O 3.4Å; K37-R39 PolarHBondContact O-N 3.38Å
40	E	94.4	Very high	96.7	Very high	79 Å²	79	41.4 Å²	41.4	37%	0.369	21%	0.213	S	C	.	.	S	Bend	trans	-126.8	17.8	-173.5	-64.8	166.7	-177.7	0	0	111.2	K37 F109	K37-E40 HydrophobicContact CB-CB 4.37Å; K37-E40 WeakPolarHBondContact CD-OE2 3.23Å; K37-E40 IonicContact NZ-OE1 2.74Å; K37-E40 IonicContact NZ-OE2 2.67Å; K37-E40 CarbonylContact O-C 3.49Å; K37-E40 PolarHBondContact O-N 3.48Å; E40-F109 WeakPolarHBondContact O-CZ 3.47Å
41	C	96.6	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	165.6	-180	72.9	0	0	0	0	111.7	W18 H36 K37 P83 A84	W18-C41 PolarHBondContact NE1-O 3.15Å; H36-C41 HydrophobicContact CB-CB 3.86Å; K37-C41 WeakPolarHBondContact O-CB 3.49Å; K37-C41 PolarHBondContact O-N 3.21Å; K37-C41 PolarHBondContact O-SG 3.06Å; K37-C41 VanDerWaalsContact O-SG 3.39Å; C41-P83 HydrophobicContact CB-CB 3.76Å; C41-P83 VanDerWaalsContact SG-CB 3.58Å; C41-A84 CarbonylContact C-O 3.54Å; C41-A84 WeakPolarHBondContact CA-O 3.16Å; C41-A84 WeakPolarHBondContact CB-O 3.44Å
42	L	96.2	Very high	96.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	109.8	172.2	-170.4	70.2	0	0	0	108.2	W18 L44 I46 F47 A84 L101 F109	W18-L42 HydrophobicContact CG-CD1 4.45Å; L42-L44 PolarHBondContact O-N 2.8Å; L42-I46 HydrophobicContact CD1-CB 3.96Å; L42-I46 HydrophobicContact CD1-CG2 3.6Å; L42-I46 HydrophobicContact CG-CB 4.41Å; L42-I46 HydrophobicContact CG-CG2 4.47Å; L42-F47 HydrophobicContact CD2-CB 3.87Å; L42-F47 HydrophobicContact CD2-CD2 3.81Å; L42-F47 HydrophobicContact CD2-CG 4.32Å; L42-F47 HydrophobicContact CG-CB 4.42Å; L42-A84 PolarHBondContact N-O 2.81Å; L42-A84 PolarHBondContact O-N 3.07Å; L42-L101 HydrophobicContact CD2-CD2 4.33Å; L42-F109 HydrophobicContact CB-CD2 3.88Å; L42-F109 HydrophobicContact CB-CE2 4.22Å; L42-F109 HydrophobicContact CB-CG 4.38Å; L42-F109 HydrophobicContact CD2-CB 4.16Å
43	P	97.6	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	138.9	171.4	-27.4	33.9	0	0	0	111.5	W18 P29 P31 I45 I46 F47 Y82	W18-P43 HydrophobicContact CH2-CG 3.88Å; W18-P43 HydrophobicContact CZ2-CG 3.9Å; W18-P43 HydrophobicContact CZ3-CG 4.32Å; P29-P43 HydrophobicContact CB-CB 4.39Å; P31-P43 HydrophobicContact CB-CG 4.04Å; P31-P43 HydrophobicContact CG-CG 3.72Å; P43-I45 HydrophobicContact CB-CG2 3.86Å; P43-I45 PolarHBondContact O-N 2.85Å; P43-I45 VanDerWaalsContact O-N 3.15Å; P43-I46 HydrophobicContact CB-CD1 4.43Å; P43-I46 HydrophobicContact CB-CG1 4.24Å; P43-I46 HydrophobicContact CG-CD1 4.08Å; P43-I46 HydrophobicContact CG-CG1 4.43Å; P43-I46 WeakPolarHBondContact O-CB 3.44Å; P43-I46 PolarHBondContact O-N 2.72Å; P43-F47 PolarHBondContact O-N 2.91Å; P43-Y82 WeakPolarHBondContact CA-O 3.43Å
44	L	96.6	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.4	-37.4	-177.9	-174.2	57.6	0	0	0	113.4	L42 I46 F47 L48 C65 I70 I72 I80 Y82	L42-L44 PolarHBondContact O-N 2.8Å; L44-I46 VanDerWaalsContact C-N 3.31Å; L44-I46 PolarHBondContact O-N 2.88Å; L44-F47 HydrophobicContact CD1-CD1 4.34Å; L44-F47 WeakPolarHBondContact O-CB 3.37Å; L44-F47 PolarHBondContact O-N 3.31Å; L44-F47 VanDerWaalsContact O-N 3.13Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 4.41Å; L44-L48 HydrophobicContact CG-CG 4.45Å; L44-L48 PolarHBondContact O-N 3.05Å; L44-C65 VanDerWaalsContact CD2-SG 3.59Å; L44-I70 HydrophobicContact CD1-CD1 4.29Å; L44-I70 HydrophobicContact CD1-CG2 4.04Å; L44-I70 HydrophobicContact CD2-CD1 4Å; L44-I70 HydrophobicContact CD2-CG2 4.03Å; L44-I70 HydrophobicContact CG-CD1 4.34Å; L44-I72 HydrophobicContact CD1-CD1 4.31Å; L44-I72 HydrophobicContact CD2-CD1 4.38Å; L44-I80 PolarHBondContact N-O 2.82Å; L44-Y82 PolarHBondContact N-O 2.99Å
45	I	97.5	Very high	96.4	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-39	173	-176.9	171.5	0	0	0	113.5	P29 P43 R49 V61 I80	P29-I45 HydrophobicContact CB-CG2 3.47Å; P29-I45 VanDerWaalsContact CB-CG2 3.47Å; P29-I45 HydrophobicContact CG-CD1 4.3Å; P29-I45 HydrophobicContact CG-CG2 3.62Å; P43-I45 HydrophobicContact CB-CG2 3.86Å; P43-I45 PolarHBondContact O-N 2.85Å; P43-I45 VanDerWaalsContact O-N 3.15Å; I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 3.07Å; I45-V61 HydrophobicContact CB-CG1 3.92Å; I45-V61 HydrophobicContact CG1-CB 4.29Å; I45-V61 HydrophobicContact CG1-CG1 4.08Å; I45-V61 HydrophobicContact CG1-CG2 4.1Å; I45-I80 WeakPolarHBondContact CB-O 3.42Å; I45-I80 WeakPolarHBondContact CG2-O 3.35Å; I45-I80 PolarHBondContact N-O 3Å
46	I	96.9	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-72.6	-37.6	178	-58.3	-174.4	0	0	0	109.7	W18 L20 P29 L42 P43 L44 N50 R51	W18-I46 HydrophobicContact CB-CD1 4.05Å; W18-I46 HydrophobicContact CD2-CD1 3.49Å; W18-I46 VanDerWaalsContact CD2-CD1 3.49Å; W18-I46 HydrophobicContact CE3-CD1 3.29Å; W18-I46 HydrophobicContact CG-CD1 3.84Å; W18-I46 HydrophobicContact CZ3-CD1 3.97Å; L20-I46 HydrophobicContact CD1-CD1 4.36Å; L20-I46 HydrophobicContact CD2-CD1 4.2Å; P29-I46 HydrophobicContact CG-CD1 4.32Å; P29-I46 HydrophobicContact CG-CG1 4.06Å; L42-I46 HydrophobicContact CD1-CB 3.96Å; L42-I46 HydrophobicContact CD1-CG2 3.6Å; L42-I46 HydrophobicContact CG-CB 4.41Å; L42-I46 HydrophobicContact CG-CG2 4.47Å; P43-I46 HydrophobicContact CB-CD1 4.43Å; P43-I46 HydrophobicContact CB-CG1 4.24Å; P43-I46 HydrophobicContact CG-CD1 4.08Å; P43-I46 HydrophobicContact CG-CG1 4.43Å; P43-I46 WeakPolarHBondContact O-CB 3.44Å; P43-I46 PolarHBondContact O-N 2.72Å; L44-I46 VanDerWaalsContact C-N 3.31Å; L44-I46 PolarHBondContact O-N 2.88Å; I46-N50 HydrophobicContact CG2-CB 4.02Å; I46-N50 WeakPolarHBondContact O-CA 3.48Å; I46-N50 VanDerWaalsContact O-CB 3.3Å; I46-N50 WeakPolarHBondContact O-CB 3.21Å; I46-N50 PolarHBondContact O-N 3.22Å; I46-R51 PolarHBondContact O-N 3.12Å
47	F	96.8	Very high	96.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.009	22%	0.218	C	C	.	.	I	π-helix	trans	-62.2	-53.1	176.2	-175.1	-108.1	0	0	0	111.8	L42 P43 L44 R51 L52 I90 F99 L101 V111	L42-F47 HydrophobicContact CD2-CB 3.87Å; L42-F47 HydrophobicContact CD2-CD2 3.81Å; L42-F47 HydrophobicContact CD2-CG 4.32Å; L42-F47 HydrophobicContact CG-CB 4.42Å; P43-F47 PolarHBondContact O-N 2.91Å; L44-F47 HydrophobicContact CD1-CD1 4.34Å; L44-F47 WeakPolarHBondContact O-CB 3.37Å; L44-F47 PolarHBondContact O-N 3.31Å; L44-F47 VanDerWaalsContact O-N 3.13Å; F47-R51 HydrophobicContact CD2-CB 4.47Å; F47-R51 VanDerWaalsContact O-CB 3.32Å; F47-R51 WeakPolarHBondContact O-CB 3.46Å; F47-R51 PolarHBondContact O-N 2.89Å; F47-L52 HydrophobicContact CD1-CD1 3.92Å; F47-L52 HydrophobicContact CD1-CG 4.49Å; F47-L52 HydrophobicContact CE1-CD1 3.34Å; F47-L52 HydrophobicContact CE1-CG 4.09Å; F47-L52 HydrophobicContact CZ-CD1 3.73Å; F47-L52 HydrophobicContact CZ-CD2 4.49Å; F47-L52 HydrophobicContact CZ-CG 4.1Å; F47-L52 PolarHBondContact O-N 3.37Å; F47-I90 HydrophobicContact CD1-CD1 3.85Å; F47-I90 HydrophobicContact CD1-CG2 4.37Å; F47-I90 HydrophobicContact CD2-CD1 4.32Å; F47-I90 HydrophobicContact CE1-CB 4.29Å; F47-I90 HydrophobicContact CE1-CD1 3.81Å; F47-I90 HydrophobicContact CE1-CG2 3.85Å; F47-I90 HydrophobicContact CE2-CD1 4.29Å; F47-I90 HydrophobicContact CG-CD1 4.11Å; F47-I90 HydrophobicContact CZ-CD1 4.04Å; F47-F99 HydrophobicContact CE1-CD2 4.24Å; F47-F99 HydrophobicContact CZ-CB 3.96Å; F47-F99 HydrophobicContact CZ-CD1 4.33Å; F47-F99 AromaticContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CE2 4.47Å; F47-F99 AromaticContact CZ-CG 3.82Å; F47-F99 HydrophobicContact CZ-CG 3.82Å; F47-L101 HydrophobicContact CD2-CD2 4.03Å; F47-L101 HydrophobicContact CE2-CD2 3.89Å; F47-V111 HydrophobicContact CE2-CG1 4.42Å; F47-V111 HydrophobicContact CE2-CG2 4.11Å
48	L	96.5	Very high	96.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.204	C	C	.	.	I	π-helix	trans	-68.1	-48.2	-178.5	-63.7	-177	0	0	0	113.2	L44 L52 K53 Y54 V61 I64 I70	L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 4.41Å; L44-L48 HydrophobicContact CG-CG 4.45Å; L44-L48 PolarHBondContact O-N 3.05Å; L48-L52 HydrophobicContact CD2-CD1 4.28Å; L48-K53 PolarHBondContact O-N 3.23Å; L48-Y54 HydrophobicContact CD2-CD2 4.45Å; L48-Y54 PolarHBondContact O-N 2.99Å; L48-Y54 VanDerWaalsContact O-N 3.13Å; L48-V61 HydrophobicContact CB-CG2 4.05Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.47Å; L48-I64 HydrophobicContact CD1-CB 4.45Å; L48-I64 HydrophobicContact CD1-CG2 4.2Å; L48-I70 HydrophobicContact CD1-CD1 3.28Å; L48-I70 HydrophobicContact CD2-CD1 3.88Å; L48-I70 HydrophobicContact CG-CD1 4.04Å
49	R	96.6	Very high	96.3	Very high	50 Å²	50	46.3 Å²	46.3	19%	0.189	22%	0.221	C	C	.	.	I	π-helix	trans	-81	-50.5	-173.1	-170.9	-172	65.1	179.2	1.1	112.6	I45 K53 A55 L56 V61	I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 3.07Å; R49-K53 WeakPolarHBondContact O-CD 3.27Å; R49-A55 WeakPolarHBondContact CA-O 3.42Å; R49-A55 VanDerWaalsContact CG-O 3.3Å; R49-A55 WeakPolarHBondContact CG-O 3.39Å; R49-L56 WeakPolarHBondContact CD-O 3.4Å; R49-V61 HydrophobicContact CB-CG2 4.04Å
50	N	95.8	Very high	96.3	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.144	21%	0.209	C	C	.	.	I	π-helix	trans	-88.4	-34	-170.5	-70.5	65.4	0	0	0	112.7	I46 K53	I46-N50 HydrophobicContact CG2-CB 4.02Å; I46-N50 WeakPolarHBondContact O-CA 3.48Å; I46-N50 VanDerWaalsContact O-CB 3.3Å; I46-N50 WeakPolarHBondContact O-CB 3.21Å; I46-N50 PolarHBondContact O-N 3.22Å; N50-K53 VanDerWaalsContact O-CE 3.22Å; N50-K53 WeakPolarHBondContact O-CE 3.5Å; N50-K53 PolarHBondContact O-NZ 2.98Å
51	R	95.4	Very high	96.5	Very high	46 Å²	46	38.7 Å²	38.7	17%	0.174	19%	0.191	C	C	.	.	I	π-helix	trans	-93.8	-55.9	-177.3	-62.5	-74	179.6	-90.2	-12.4	112.8	H17 W18 I46 F47 V111	H17-R51 PolarHBondContact O-NH2 2.96Å; H17-R51 VanDerWaalsContact O-NH2 3.08Å; W18-R51 PolarHBondContact O-NH1 3.23Å; W18-R51 PolarHBondContact O-NH2 3.11Å; I46-R51 PolarHBondContact O-N 3.12Å; F47-R51 HydrophobicContact CD2-CB 4.47Å; F47-R51 VanDerWaalsContact O-CB 3.32Å; F47-R51 WeakPolarHBondContact O-CB 3.46Å; F47-R51 PolarHBondContact O-N 2.89Å; R51-V111 HydrophobicContact CB-CG2 3.65Å; R51-V111 HydrophobicContact CG-CG2 4.31Å
52	L	95.8	Very high	96.5	Very high	26 Å²	26	43.8 Å²	43.8	14%	0.136	21%	0.213	C	C	.	.	I	π-helix	trans	-83.3	-20.4	-177.3	-69.7	-179.1	0	0	0	114.6	F47 L48 Y54 I92 F99 V111	F47-L52 HydrophobicContact CD1-CD1 3.92Å; F47-L52 HydrophobicContact CD1-CG 4.49Å; F47-L52 HydrophobicContact CE1-CD1 3.34Å; F47-L52 HydrophobicContact CE1-CG 4.09Å; F47-L52 HydrophobicContact CZ-CD1 3.73Å; F47-L52 HydrophobicContact CZ-CD2 4.49Å; F47-L52 HydrophobicContact CZ-CG 4.1Å; F47-L52 PolarHBondContact O-N 3.37Å; L48-L52 HydrophobicContact CD2-CD1 4.28Å; L52-Y54 HydrophobicContact CB-CD1 4.39Å; L52-Y54 HydrophobicContact CB-CD2 4.01Å; L52-Y54 HydrophobicContact CB-CE2 4.21Å; L52-Y54 HydrophobicContact CB-CG 4.11Å; L52-Y54 HydrophobicContact CD1-CD2 3.95Å; L52-Y54 HydrophobicContact CD1-CE2 3.72Å; L52-Y54 HydrophobicContact CG-CE2 4.48Å; L52-Y54 PolarHBondContact O-N 2.81Å; L52-I92 HydrophobicContact CD1-CD1 4.19Å; L52-F99 HydrophobicContact CD1-CE2 3.98Å; L52-F99 HydrophobicContact CD1-CZ 3.98Å; L52-F99 HydrophobicContact CD2-CE1 3.77Å; L52-F99 HydrophobicContact CD2-CE2 4.43Å; L52-F99 HydrophobicContact CD2-CZ 3.64Å; L52-F99 HydrophobicContact CG-CZ 4.5Å; L52-V111 HydrophobicContact CD2-CG1 3.54Å; L52-V111 HydrophobicContact CD2-CG2 4.47Å
53	K	95.8	Very high	96.6	Very high	146 Å²	146	50.8 Å²	50.8	64%	0.635	24%	0.244	S	C	*	.			trans	61.8	23.5	-178.4	-48.9	-58.9	-171.9	-176.9	0	114.1	L48 R49 N50 A55	L48-K53 PolarHBondContact O-N 3.23Å; R49-K53 WeakPolarHBondContact O-CD 3.27Å; N50-K53 VanDerWaalsContact O-CE 3.22Å; N50-K53 WeakPolarHBondContact O-CE 3.5Å; N50-K53 PolarHBondContact O-NZ 2.98Å; K53-A55 VanDerWaalsContact C-N 3.27Å; K53-A55 PolarHBondContact O-N 3.48Å
54	Y	95.6	Very high	96.5	Very high	92 Å²	92	52.6 Å²	52.6	36%	0.361	25%	0.253	S	S	.	.	S	Bend	trans	-75.6	-15.7	175.1	-68.1	-19.2	0	0	0	113.9	L48 L52 I92 E97	L48-Y54 HydrophobicContact CD2-CD2 4.45Å; L48-Y54 PolarHBondContact O-N 2.99Å; L48-Y54 VanDerWaalsContact O-N 3.13Å; L52-Y54 HydrophobicContact CB-CD1 4.39Å; L52-Y54 HydrophobicContact CB-CD2 4.01Å; L52-Y54 HydrophobicContact CB-CE2 4.21Å; L52-Y54 HydrophobicContact CB-CG 4.11Å; L52-Y54 HydrophobicContact CD1-CD2 3.95Å; L52-Y54 HydrophobicContact CD1-CE2 3.72Å; L52-Y54 HydrophobicContact CG-CE2 4.48Å; L52-Y54 PolarHBondContact O-N 2.81Å; Y54-I92 HydrophobicContact CD2-CD1 4.23Å; Y54-I92 HydrophobicContact CE2-CD1 3.69Å; Y54-E97 PolarHBondContact OH-OE2 2.83Å
55	A	96.5	Very high	96.5	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	25%	0.253	C	S	.	.			trans	-134.1	149.6	174.9	0	0	0	0	0	109.3	R49 K53 E60 V61 I64	R49-A55 WeakPolarHBondContact CA-O 3.42Å; R49-A55 VanDerWaalsContact CG-O 3.3Å; R49-A55 WeakPolarHBondContact CG-O 3.39Å; K53-A55 VanDerWaalsContact C-N 3.27Å; K53-A55 PolarHBondContact O-N 3.48Å; A55-E60 WeakPolarHBondContact CA-OE2 3.34Å; A55-E60 HydrophobicContact CB-CB 3.76Å; A55-V61 HydrophobicContact CB-CG2 3.53Å; A55-I64 HydrophobicContact CB-CD1 4.21Å
56	L	96.6	Very high	96.4	Very high	145 Å²	145	57.2 Å²	57.2	76%	0.759	28%	0.275	S	S	*	.	S	Bend	trans	-96	-39.4	172.9	-56.7	178.9	0	0	0	110.7	R49 E60	R49-L56 WeakPolarHBondContact CD-O 3.4Å; L56-E60 PolarHBondContact N-OE2 2.96Å
57	T	96.3	Very high	96.4	Very high	63 Å²	63	62.5 Å²	62.5	39%	0.387	30%	0.3	S	S	.	.	S	Bend	trans	-114.1	167.2	-176.1	64.8	0	0	0	0	113.2	D59 E60 V61	T57-D59 VanDerWaalsContact C-N 3.35Å; T57-E60 PolarHBondContact N-OE2 3.3Å; T57-E60 WeakPolarHBondContact OG1-CG 3.49Å; T57-E60 PolarHBondContact OG1-N 3.15Å; T57-E60 PolarHBondContact OG1-OE1 3.39Å; T57-V61 PolarHBondContact O-N 3.29Å
58	G	95.2	Very high	96.4	Very high	21 Å²	21	70.1 Å²	70.1	22%	0.216	33%	0.329	C	S	.	.	H	α-helix	trans	-69.6	-31.3	176	0	0	0	0	0	113.3	V61 K62	G58-V61 WeakPolarHBondContact O-CB 3.42Å; G58-V61 PolarHBondContact O-N 3.02Å; G58-K62 PolarHBondContact O-N 3.08Å; G58-K62 VanDerWaalsContact O-N 3.14Å
59	D	97.1	Very high	96.3	Very high	114 Å²	114	72.8 Å²	72.8	61%	0.61	34%	0.34	S	S	*	.	H	α-helix	trans	-74.8	-31.8	178.9	-66.4	-47.1	0	0	0	112.4	T57 K62 K63	T57-D59 VanDerWaalsContact C-N 3.35Å; D59-K62 WeakPolarHBondContact O-CA 3.21Å; D59-K62 WeakPolarHBondContact O-CB 3.47Å; D59-K62 PolarHBondContact O-N 2.97Å; D59-K62 VanDerWaalsContact O-N 3.14Å; D59-K63 WeakPolarHBondContact O-CG 3.48Å; D59-K63 PolarHBondContact O-N 2.94Å
60	E	97.6	Very high	96.3	Very high	63 Å²	63	70.4 Å²	70.4	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-42.5	169.8	-76.7	160.2	-130.8	0	0	111.9	A55 L56 T57 K62 K63 I64	A55-E60 WeakPolarHBondContact CA-OE2 3.34Å; A55-E60 HydrophobicContact CB-CB 3.76Å; L56-E60 PolarHBondContact N-OE2 2.96Å; T57-E60 PolarHBondContact N-OE2 3.3Å; T57-E60 WeakPolarHBondContact OG1-CG 3.49Å; T57-E60 PolarHBondContact OG1-N 3.15Å; T57-E60 PolarHBondContact OG1-OE1 3.39Å; E60-K62 PolarHBondContact O-N 3.38Å; E60-K63 WeakPolarHBondContact O-CB 3.49Å; E60-K63 PolarHBondContact O-N 3Å; E60-K63 VanDerWaalsContact O-N 3.12Å; E60-I64 WeakPolarHBondContact O-CG1 3.37Å; E60-I64 PolarHBondContact O-N 2.98Å
61	V	97.4	Very high	96.4	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57	-42.8	171.6	169.4	0	0	0	0	110.3	I45 L48 R49 A55 T57 G58 K63 I64 C65 I80	I45-V61 HydrophobicContact CB-CG1 3.92Å; I45-V61 HydrophobicContact CG1-CB 4.29Å; I45-V61 HydrophobicContact CG1-CG1 4.08Å; I45-V61 HydrophobicContact CG1-CG2 4.1Å; L48-V61 HydrophobicContact CB-CG2 4.05Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.47Å; R49-V61 HydrophobicContact CB-CG2 4.04Å; A55-V61 HydrophobicContact CB-CG2 3.53Å; T57-V61 PolarHBondContact O-N 3.29Å; G58-V61 WeakPolarHBondContact O-CB 3.42Å; G58-V61 PolarHBondContact O-N 3.02Å; V61-K63 PolarHBondContact O-N 3.22Å; V61-I64 PolarHBondContact O-N 2.85Å; V61-C65 PolarHBondContact O-N 2.75Å; V61-C65 PolarHBondContact O-SG 3.02Å; V61-C65 VanDerWaalsContact O-SG 3.35Å; V61-I80 HydrophobicContact CG1-CB 3.99Å; V61-I80 HydrophobicContact CG1-CG2 3.84Å
62	K	97.2	Very high	96.5	Very high	107 Å²	107	69.9 Å²	69.9	47%	0.465	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-43.5	176.3	-170.9	179.5	179.2	-177.1	0	111.7	G58 D59 E60 I64 C65 M66 I80	G58-K62 PolarHBondContact O-N 3.08Å; G58-K62 VanDerWaalsContact O-N 3.14Å; D59-K62 WeakPolarHBondContact O-CA 3.21Å; D59-K62 WeakPolarHBondContact O-CB 3.47Å; D59-K62 PolarHBondContact O-N 2.97Å; D59-K62 VanDerWaalsContact O-N 3.14Å; E60-K62 PolarHBondContact O-N 3.38Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.09Å; K62-C65 PolarHBondContact O-N 3.38Å; K62-M66 HydrophobicContact CG-CE 4.33Å; K62-M66 HydrophobicContact CG-CG 4.2Å; K62-M66 WeakPolarHBondContact O-CB 3.5Å; K62-M66 WeakPolarHBondContact O-CG 3.37Å; K62-M66 PolarHBondContact O-N 3.41Å; K62-I80 HydrophobicContact CB-CG2 4.12Å; K62-I80 HydrophobicContact CG-CG2 4.49Å
63	K	97	Very high	96.5	Very high	148 Å²	148	69 Å²	69	64%	0.643	32%	0.324	S	S	*	.	H	α-helix	trans	-58.4	-45.4	175.2	-69	175.1	-177.6	178.5	0	111.6	D59 E60 V61 M66 Q67	D59-K63 WeakPolarHBondContact O-CG 3.48Å; D59-K63 PolarHBondContact O-N 2.94Å; E60-K63 WeakPolarHBondContact O-CB 3.49Å; E60-K63 PolarHBondContact O-N 3Å; E60-K63 VanDerWaalsContact O-N 3.12Å; V61-K63 PolarHBondContact O-N 3.22Å; K63-M66 PolarHBondContact O-N 3.3Å; K63-Q67 WeakPolarHBondContact O-CG 3.27Å; K63-Q67 PolarHBondContact O-N 3.34Å
64	I	96.2	Very high	96.5	Very high	38 Å²	38	64.4 Å²	64.4	20%	0.195	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-49.2	177.8	-61.6	166.6	0	0	0	111	L48 A55 E60 V61 K62 M66 Q67 I70	L48-I64 HydrophobicContact CD1-CB 4.45Å; L48-I64 HydrophobicContact CD1-CG2 4.2Å; A55-I64 HydrophobicContact CB-CD1 4.21Å; E60-I64 WeakPolarHBondContact O-CG1 3.37Å; E60-I64 PolarHBondContact O-N 2.98Å; V61-I64 PolarHBondContact O-N 2.85Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.09Å; I64-M66 VanDerWaalsContact C-N 3.34Å; I64-M66 PolarHBondContact O-N 3.42Å; I64-Q67 PolarHBondContact O-N 3.37Å; I64-I70 HydrophobicContact CG2-CD1 3.9Å; I64-I70 HydrophobicContact CG2-CG1 4.26Å
65	C	96.1	Very high	96.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-36.5	-178.3	-67.5	0	0	0	0	112.7	L44 V61 K62 Q67 R68 T78 I80	L44-C65 VanDerWaalsContact CD2-SG 3.59Å; V61-C65 PolarHBondContact O-N 2.75Å; V61-C65 PolarHBondContact O-SG 3.02Å; V61-C65 VanDerWaalsContact O-SG 3.35Å; K62-C65 PolarHBondContact O-N 3.38Å; C65-Q67 VanDerWaalsContact C-N 3.29Å; C65-Q67 PolarHBondContact O-N 2.96Å; C65-R68 PolarHBondContact O-N 2.82Å; C65-R68 VanDerWaalsContact O-N 3.09Å; C65-T78 WeakPolarHBondContact CB-O 3.5Å; C65-I80 HydrophobicContact CB-CG2 4.09Å
66	M	96.8	Very high	96.6	Very high	109 Å²	109	68.1 Å²	68.1	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-71.6	-23.2	180	-69.3	-64.8	163.3	0	0	113	K62 K63 I64 R68	K62-M66 HydrophobicContact CG-CE 4.33Å; K62-M66 HydrophobicContact CG-CG 4.2Å; K62-M66 WeakPolarHBondContact O-CB 3.5Å; K62-M66 WeakPolarHBondContact O-CG 3.37Å; K62-M66 PolarHBondContact O-N 3.41Å; K63-M66 PolarHBondContact O-N 3.3Å; I64-M66 VanDerWaalsContact C-N 3.34Å; I64-M66 PolarHBondContact O-N 3.42Å; M66-R68 PolarHBondContact O-N 3.31Å
67	Q	96.1	Very high	96.6	Very high	111 Å²	111	65.1 Å²	65.1	52%	0.519	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-0	170.1	-71.1	173.2	-22.7	0	0	113.4	K63 I64 C65 F69	K63-Q67 WeakPolarHBondContact O-CG 3.27Å; K63-Q67 PolarHBondContact O-N 3.34Å; I64-Q67 PolarHBondContact O-N 3.37Å; C65-Q67 VanDerWaalsContact C-N 3.29Å; C65-Q67 PolarHBondContact O-N 2.96Å; Q67-F69 HydrophobicContact CB-CD1 4.35Å; Q67-F69 HydrophobicContact CB-CD2 3.72Å; Q67-F69 HydrophobicContact CB-CE1 4.2Å; Q67-F69 HydrophobicContact CB-CE2 3.57Å; Q67-F69 HydrophobicContact CB-CG 4.12Å; Q67-F69 HydrophobicContact CB-CZ 3.81Å; Q67-F69 HydrophobicContact CG-CE2 4.16Å; Q67-F69 HydrophobicContact CG-CZ 4.42Å; Q67-F69 WeakPolarHBondContact O-CD1 3.29Å; Q67-F69 PolarHBondContact O-N 3.08Å
68	R	96.3	Very high	96.6	Very high	163 Å²	163	65.1 Å²	65.1	62%	0.615	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	20.8	176.2	-58.7	-176.4	72.3	-175.6	1.2	114.7	C65 M66 I70 V76 T78	C65-R68 PolarHBondContact O-N 2.82Å; C65-R68 VanDerWaalsContact O-N 3.09Å; M66-R68 PolarHBondContact O-N 3.31Å; R68-I70 VanDerWaalsContact C-N 3.32Å; R68-I70 PolarHBondContact O-N 2.76Å; R68-V76 HydrophobicContact CB-CG1 3.7Å; R68-V76 HydrophobicContact CG-CG1 4.03Å; R68-T78 HydrophobicContact CG-CG2 4.31Å
69	F	94.9	Very high	96.7	Very high	56 Å²	56	66.7 Å²	66.7	25%	0.246	32%	0.322	C	S	.	.			trans	-75.6	-16.7	-179.9	-63.3	-29.4	0	0	0	114.7	Q67 D93 K94	Q67-F69 HydrophobicContact CB-CD1 4.35Å; Q67-F69 HydrophobicContact CB-CD2 3.72Å; Q67-F69 HydrophobicContact CB-CE1 4.2Å; Q67-F69 HydrophobicContact CB-CE2 3.57Å; Q67-F69 HydrophobicContact CB-CG 4.12Å; Q67-F69 HydrophobicContact CB-CZ 3.81Å; Q67-F69 HydrophobicContact CG-CE2 4.16Å; Q67-F69 HydrophobicContact CG-CZ 4.42Å; Q67-F69 WeakPolarHBondContact O-CD1 3.29Å; Q67-F69 PolarHBondContact O-N 3.08Å; F69-D93 PolarHBondContact O-N 3.48Å; F69-K94 HydrophobicContact CD1-CB 4.48Å; F69-K94 HydrophobicContact CD2-CB 4.49Å; F69-K94 HydrophobicContact CD2-CD 3.99Å; F69-K94 HydrophobicContact CE1-CD 4.33Å; F69-K94 HydrophobicContact CE2-CD 3.55Å; F69-K94 HydrophobicContact CG-CB 4.35Å; F69-K94 HydrophobicContact CZ-CD 3.77Å
70	I	97	Very high	96.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.2	-175	-55.9	175.9	0	0	0	109.9	L44 L48 I64 R68 I72 V76 R77 I90	L44-I70 HydrophobicContact CD1-CD1 4.29Å; L44-I70 HydrophobicContact CD1-CG2 4.04Å; L44-I70 HydrophobicContact CD2-CD1 4Å; L44-I70 HydrophobicContact CD2-CG2 4.03Å; L44-I70 HydrophobicContact CG-CD1 4.34Å; L48-I70 HydrophobicContact CD1-CD1 3.28Å; L48-I70 HydrophobicContact CD2-CD1 3.88Å; L48-I70 HydrophobicContact CG-CD1 4.04Å; I64-I70 HydrophobicContact CG2-CD1 3.9Å; I64-I70 HydrophobicContact CG2-CG1 4.26Å; R68-I70 VanDerWaalsContact C-N 3.32Å; R68-I70 PolarHBondContact O-N 2.76Å; I70-I72 HydrophobicContact CG2-CG1 4.3Å; I70-V76 WeakPolarHBondContact O-CA 3.37Å; I70-R77 PolarHBondContact O-N 2.83Å; I70-I90 HydrophobicContact CG2-CG2 4.17Å
71	K	97.4	Very high	96.7	Very high	61 Å²	61	61.8 Å²	61.8	27%	0.265	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.9	170.1	-67.1	172.5	-178.8	157	0	109.4	K75 V76 I90 S91 D93	K71-K75 CarbonylContact C-O 3.56Å; K71-K75 WeakPolarHBondContact CA-O 3.4Å; K71-V76 HydrophobicContact CG-CG2 3.93Å; K71-I90 WeakPolarHBondContact O-CA 3.45Å; K71-S91 PolarHBondContact N-O 3.37Å; K71-S91 PolarHBondContact O-N 2.57Å; K71-D93 WeakPolarHBondContact CE-OD2 3.42Å; K71-D93 IonicContact NZ-OD1 2.71Å; K71-D93 PolarHBondContact NZ-OD1 3.34Å; K71-D93 IonicContact NZ-OD2 2.62Å; K71-D93 PolarHBondContact NZ-OD2 2.82Å
72	I	97.1	Very high	96.7	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.6	170.9	-55.8	179.1	0	0	0	107.1	L44 I70 G74 K75 R77 Y82 A84 D88 V89 I90	L44-I72 HydrophobicContact CD1-CD1 4.31Å; L44-I72 HydrophobicContact CD2-CD1 4.38Å; I70-I72 HydrophobicContact CG2-CG1 4.3Å; I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.81Å; I72-K75 PolarHBondContact N-O 3.34Å; I72-K75 PolarHBondContact O-N 2.91Å; I72-K75 VanDerWaalsContact O-N 3.08Å; I72-R77 HydrophobicContact CB-CG 3.88Å; I72-R77 HydrophobicContact CD1-CB 4.14Å; I72-R77 HydrophobicContact CD1-CG 4Å; I72-R77 HydrophobicContact CG1-CB 4.33Å; I72-R77 HydrophobicContact CG1-CG 4Å; I72-Y82 HydrophobicContact CB-CE1 4.36Å; I72-Y82 HydrophobicContact CD1-CD1 3.41Å; I72-Y82 VanDerWaalsContact CD1-CD1 3.41Å; I72-Y82 HydrophobicContact CD1-CE1 3.89Å; I72-Y82 HydrophobicContact CD1-CG 4.24Å; I72-Y82 HydrophobicContact CG2-CE1 3.95Å; I72-A84 HydrophobicContact CD1-CB 4.28Å; I72-D88 HydrophobicContact CG2-CB 4.33Å; I72-V89 CarbonylContact C-O 3.52Å; I72-V89 WeakPolarHBondContact CA-O 3.2Å; I72-I90 HydrophobicContact CG1-CG1 4.35Å
73	D	96.9	Very high	96.7	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	48.5	-172.9	-68	-11	0	0	0	112.1	K75 D88 V89 K122 R145 L164	D73-K75 PolarHBondContact O-N 2.68Å; D73-K75 VanDerWaalsContact O-N 3.13Å; D73-D88 WeakPolarHBondContact OD1-CA 3.36Å; D73-V89 PolarHBondContact N-O 2.62Å; D73-V89 PolarHBondContact OD1-N 2.88Å; D73-K122 IonicContact OD1-NZ 2.86Å; D73-K122 WeakPolarHBondContact OD2-CD 3.35Å; D73-K122 IonicContact OD2-NZ 2.81Å; D73-K122 PolarHBondContact OD2-NZ 2.85Å; D73-R145 IonicContact OD2-CZ 3.89Å; D73-R145 IonicContact OD2-NH2 3.57Å; D73-R145 PolarHBondContact OD2-NH2 2.96Å; D73-L164 HydrophobicContact CB-CD2 3.75Å
74	G	94.8	Very high	96.8	Very high	50 Å²	50	50.7 Å²	50.7	52%	0.515	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-9.4	-179.6	0	0	0	0	0	115.8	I72	I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.81Å
75	K	96.4	Very high	96.8	Very high	124 Å²	124	48.9 Å²	48.9	54%	0.539	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132	-178.2	-63.9	-175.8	-179.5	-176.1	0	111.5	K71 I72 D73 R77	K71-K75 CarbonylContact C-O 3.56Å; K71-K75 WeakPolarHBondContact CA-O 3.4Å; I72-K75 PolarHBondContact N-O 3.34Å; I72-K75 PolarHBondContact O-N 2.91Å; I72-K75 VanDerWaalsContact O-N 3.08Å; D73-K75 PolarHBondContact O-N 2.68Å; D73-K75 VanDerWaalsContact O-N 3.13Å; K75-R77 PolarHBondContact O-N 3.27Å
76	V	97.3	Very high	96.8	Very high	49 Å²	49	49.2 Å²	49.2	30%	0.297	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.2	174.9	178.2	0	0	0	0	110.1	R68 I70 K71	R68-V76 HydrophobicContact CB-CG1 3.7Å; R68-V76 HydrophobicContact CG-CG1 4.03Å; I70-V76 WeakPolarHBondContact O-CA 3.37Å; K71-V76 HydrophobicContact CG-CG2 3.93Å
77	R	96.7	Very high	96.8	Very high	82 Å²	82	44 Å²	44	31%	0.309	22%	0.217	S	C	.	.			trans	-120.5	117.9	175.8	-62.5	-57.7	-176.5	175.8	1.8	110.2	I70 I72 K75 Y82	I70-R77 PolarHBondContact O-N 2.83Å; I72-R77 HydrophobicContact CB-CG 3.88Å; I72-R77 HydrophobicContact CD1-CB 4.14Å; I72-R77 HydrophobicContact CD1-CG 4Å; I72-R77 HydrophobicContact CG1-CB 4.33Å; I72-R77 HydrophobicContact CG1-CG 4Å; K75-R77 PolarHBondContact O-N 3.27Å; R77-Y82 HydrophobicContact CG-CD1 4.45Å; R77-Y82 HydrophobicContact CG-CD2 4.39Å; R77-Y82 HydrophobicContact CG-CE1 4.49Å; R77-Y82 HydrophobicContact CG-CE2 4.45Å; R77-Y82 HydrophobicContact CG-CG 4.37Å; R77-Y82 PolarHBondContact NH2-OH 3Å
78	T	96.4	Very high	96.9	Very high	64 Å²	64	38.8 Å²	38.8	39%	0.393	19%	0.193	S	C	.	.			trans	-93.7	-15.5	177.7	53.1	0	0	0	0	112.9	C65 R68 I80	C65-T78 WeakPolarHBondContact CB-O 3.5Å; R68-T78 HydrophobicContact CG-CG2 4.31Å; T78-I80 PolarHBondContact O-N 3.05Å
79	D	97.1	Very high	97	Very high	53 Å²	53	31.1 Å²	31.1	28%	0.283	16%	0.164	S	C	.	.			trans	-74.1	114.4	178.2	177.3	13.8	0	0	0	111.2	S32 T81 Y82	S32-D79 VanDerWaalsContact CB-OD2 3.23Å; S32-D79 WeakPolarHBondContact CB-OD2 3.48Å; S32-D79 PolarHBondContact OG-OD2 2.91Å; D79-T81 PolarHBondContact O-N 3.24Å; D79-T81 WeakPolarHBondContact OD1-CA 3.33Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-T81 PolarHBondContact OD1-OG1 3.15Å; D79-Y82 WeakPolarHBondContact O-CB 3.47Å; D79-Y82 PolarHBondContact O-N 2.86Å; D79-Y82 PolarHBondContact OD2-N 3.01Å
80	I	97.5	Very high	97.1	Very high	44 Å²	44	28.4 Å²	28.4	23%	0.226	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21	177.6	64.3	172.9	0	0	0	113.2	L44 I45 V61 K62 C65 T78	L44-I80 PolarHBondContact N-O 2.82Å; I45-I80 WeakPolarHBondContact CB-O 3.42Å; I45-I80 WeakPolarHBondContact CG2-O 3.35Å; I45-I80 PolarHBondContact N-O 3Å; V61-I80 HydrophobicContact CG1-CB 3.99Å; V61-I80 HydrophobicContact CG1-CG2 3.84Å; K62-I80 HydrophobicContact CB-CG2 4.12Å; K62-I80 HydrophobicContact CG-CG2 4.49Å; C65-I80 HydrophobicContact CB-CG2 4.09Å; T78-I80 PolarHBondContact O-N 3.05Å
81	T	97.8	Very high	97.1	Very high	30 Å²	30	29.2 Å²	29.2	18%	0.184	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	14.4	179.8	38	0	0	0	0	113.2	P29 R30 P31 S32 D79	P29-T81 HydrophobicContact CB-CG2 4.26Å; R30-T81 WeakPolarHBondContact O-CB 3.47Å; R30-T81 WeakPolarHBondContact O-CG2 3.41Å; P31-T81 WeakPolarHBondContact CA-O 3.26Å; S32-T81 PolarHBondContact N-O 3.34Å; S32-T81 PolarHBondContact OG-OG1 2.77Å; D79-T81 PolarHBondContact O-N 3.24Å; D79-T81 WeakPolarHBondContact OD1-CA 3.33Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-T81 PolarHBondContact OD1-OG1 3.15Å
82	Y	98	Very high	97.1	Very high	21 Å²	21	26.9 Å²	26.9	8%	0.082	15%	0.148	C	C	.	.			trans	-56.6	129.7	176.9	-173.1	-95.4	0	0	0	111.3	P35 P43 L44 I72 R77 D79 A84	P35-Y82 WeakPolarHBondContact CG-OH 3.13Å; P43-Y82 WeakPolarHBondContact CA-O 3.43Å; L44-Y82 PolarHBondContact N-O 2.99Å; I72-Y82 HydrophobicContact CB-CE1 4.36Å; I72-Y82 HydrophobicContact CD1-CD1 3.41Å; I72-Y82 VanDerWaalsContact CD1-CD1 3.41Å; I72-Y82 HydrophobicContact CD1-CE1 3.89Å; I72-Y82 HydrophobicContact CD1-CG 4.24Å; I72-Y82 HydrophobicContact CG2-CE1 3.95Å; R77-Y82 HydrophobicContact CG-CD1 4.45Å; R77-Y82 HydrophobicContact CG-CD2 4.39Å; R77-Y82 HydrophobicContact CG-CE1 4.49Å; R77-Y82 HydrophobicContact CG-CE2 4.45Å; R77-Y82 HydrophobicContact CG-CG 4.37Å; R77-Y82 PolarHBondContact NH2-OH 3Å; D79-Y82 WeakPolarHBondContact O-CB 3.47Å; D79-Y82 PolarHBondContact O-N 2.86Å; D79-Y82 PolarHBondContact OD2-N 3.01Å; Y82-A84 PolarHBondContact O-N 2.78Å
83	P	97.7	Very high	96.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	76.4	-175.9	35.2	-38.1	0	0	0	111.4	P31 S32 C41	P31-P83 HydrophobicContact CB-CB 4.03Å; S32-P83 WeakPolarHBondContact O-CG 3.38Å; C41-P83 HydrophobicContact CB-CB 3.76Å; C41-P83 VanDerWaalsContact SG-CB 3.58Å
84	A	97.4	Very high	96.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.9	171.1	0	0	0	0	0	109.6	C41 L42 I72 Y82 D88 I90 L101	C41-A84 CarbonylContact C-O 3.54Å; C41-A84 WeakPolarHBondContact CA-O 3.16Å; C41-A84 WeakPolarHBondContact CB-O 3.44Å; L42-A84 PolarHBondContact N-O 2.81Å; L42-A84 PolarHBondContact O-N 3.07Å; I72-A84 HydrophobicContact CD1-CB 4.28Å; Y82-A84 PolarHBondContact O-N 2.78Å; A84-D88 WeakPolarHBondContact CA-OD2 3.43Å; A84-I90 HydrophobicContact CB-CD1 4.14Å; A84-L101 HydrophobicContact CB-CD1 3.54Å
85	G	96.7	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-163.3	-173.6	0	0	0	0	0	113.8	H36 M87 D88 L101	H36-G85 WeakPolarHBondContact CD2-CA 3.22Å; H36-G85 PolarHBondContact CD2-N 2.72Å; H36-G85 VanDerWaalsContact CD2-N 3.28Å; G85-M87 PolarHBondContact O-N 2.92Å; G85-D88 PolarHBondContact N-OD2 2.76Å; G85-D88 WeakPolarHBondContact O-CB 3.38Å; G85-D88 PolarHBondContact O-N 3.28Å; G85-L101 WeakPolarHBondContact O-CB 3.45Å; G85-L101 WeakPolarHBondContact O-CD1 3.45Å
86	F	96.8	Very high	96.5	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	135.3	-176.2	-175.5	-111.7	0	0	0	111.8	H36 D88 I102 Y103 H142 M182 T184 F226	H36-F86 PolarHBondContact CE1-O 2.81Å; F86-D88 PolarHBondContact O-N 3.1Å; F86-I102 HydrophobicContact CE2-CG2 4.3Å; F86-Y103 HydrophobicContact CB-CE2 3.99Å; F86-Y103 AromaticContact CD2-CD2 3.42Å; F86-Y103 HydrophobicContact CD2-CD2 3.42Å; F86-Y103 VanDerWaalsContact CD2-CD2 3.42Å; F86-Y103 AromaticContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CG 4.39Å; F86-Y103 AromaticContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CE2 4.08Å; F86-Y103 HydrophobicContact CG-CD2 4.28Å; F86-Y103 AromaticContact CG-CE2 3.83Å; F86-Y103 HydrophobicContact CG-CE2 3.83Å; F86-H142 PolarHBondContact O-NE2 3.06Å; F86-M182 HydrophobicContact CE2-SD 3.45Å; F86-M182 WeakPolarHBondContact CE2-SD 3.24Å; F86-M182 HydrophobicContact CZ-CB 4.46Å; F86-M182 HydrophobicContact CZ-CG 4.26Å; F86-M182 HydrophobicContact CZ-SD 3.58Å; F86-M182 VanDerWaalsContact CZ-SD 3.58Å; F86-T184 HydrophobicContact CD1-CG2 3.68Å; F86-T184 HydrophobicContact CE1-CG2 3.51Å; F86-T184 HydrophobicContact CE2-CG2 4.42Å; F86-T184 HydrophobicContact CG-CG2 4.22Å; F86-T184 HydrophobicContact CZ-CG2 3.92Å; F86-F226 AromaticContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CE2 4.07Å; F86-F226 HydrophobicContact CD1-CG 4.41Å; F86-F226 HydrophobicContact CE1-CB 4.05Å; F86-F226 AromaticContact CE1-CD1 3.96Å; F86-F226 HydrophobicContact CE1-CD1 3.96Å; F86-F226 AromaticContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CE1 4.28Å; F86-F226 AromaticContact CE1-CE2 3.9Å; F86-F226 HydrophobicContact CE1-CE2 3.9Å; F86-F226 AromaticContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CZ 4.25Å
87	M	97.2	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	3	-176.3	-59.3	-60.9	-126.3	0	0	116.7	G85 L101 I102 K122 L123 F226 I228 I236	G85-M87 PolarHBondContact O-N 2.92Å; M87-L101 PolarHBondContact N-O 2.71Å; M87-I102 HydrophobicContact SD-CG1 4.5Å; M87-K122 WeakPolarHBondContact O-CB 3.47Å; M87-K122 WeakPolarHBondContact O-CE 3.47Å; M87-L123 WeakPolarHBondContact CB-O 3.31Å; M87-L123 HydrophobicContact CE-CB 3.69Å; M87-L123 HydrophobicContact CE-CD1 3.69Å; M87-L123 HydrophobicContact CE-CG 3.93Å; M87-F226 HydrophobicContact CE-CD1 4.43Å; M87-F226 HydrophobicContact CE-CE1 3.83Å; M87-F226 HydrophobicContact CE-CZ 4.39Å; M87-F226 HydrophobicContact CG-CE1 4.3Å; M87-F226 HydrophobicContact CG-CE2 4.46Å; M87-F226 HydrophobicContact CG-CZ 3.98Å; M87-I228 HydrophobicContact CE-CG2 3.86Å; M87-I236 HydrophobicContact CE-CD1 3.51Å; M87-I236 HydrophobicContact CE-CG1 4.1Å; M87-I236 HydrophobicContact CE-CG2 3.96Å; M87-I236 HydrophobicContact SD-CD1 3.92Å
88	D	97.4	Very high	96.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.183	C	C	.	.			trans	-65.8	141.6	171.7	-69.4	-1.3	0	0	0	110.3	H36 I72 D73 A84 G85 F86 R100 L101 K122	H36-D88 IonicContact CD2-OD1 3.78Å; H36-D88 IonicContact CD2-OD2 2.88Å; H36-D88 PolarHBondContact CD2-OD2 3.35Å; H36-D88 VanDerWaalsContact CD2-OD2 3.3Å; H36-D88 IonicContact CE1-OD1 2.76Å; H36-D88 VanDerWaalsContact NE2-CG 3.28Å; H36-D88 IonicContact NE2-OD1 3.99Å; H36-D88 PolarHBondContact NE2-OD1 3.34Å; H36-D88 IonicContact NE2-OD2 3.73Å; H36-D88 PolarHBondContact NE2-OD2 2.78Å; H36-D88 VanDerWaalsContact NE2-OD2 3.08Å; I72-D88 HydrophobicContact CG2-CB 4.33Å; D73-D88 WeakPolarHBondContact OD1-CA 3.36Å; A84-D88 WeakPolarHBondContact CA-OD2 3.43Å; G85-D88 PolarHBondContact N-OD2 2.76Å; G85-D88 WeakPolarHBondContact O-CB 3.38Å; G85-D88 PolarHBondContact O-N 3.28Å; F86-D88 PolarHBondContact O-N 3.1Å; D88-R100 WeakPolarHBondContact O-CA 3.48Å; D88-L101 PolarHBondContact O-N 3.29Å; D88-K122 IonicContact OD1-NZ 2.72Å; D88-K122 PolarHBondContact OD1-NZ 3.29Å
89	V	97.5	Very high	96.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.2	174.4	178	0	0	0	0	108.5	I72 D73 F99 I114 A119 K122 L164	I72-V89 CarbonylContact C-O 3.52Å; I72-V89 WeakPolarHBondContact CA-O 3.2Å; D73-V89 PolarHBondContact N-O 2.62Å; D73-V89 PolarHBondContact OD1-N 2.88Å; V89-F99 CarbonylContact C-O 3.5Å; V89-F99 WeakPolarHBondContact CA-O 3.43Å; V89-I114 HydrophobicContact CG1-CD1 4.05Å; V89-I114 HydrophobicContact CG2-CD1 4.34Å; V89-A119 HydrophobicContact CG1-CB 3.96Å; V89-K122 HydrophobicContact CG2-CB 4.41Å; V89-L164 HydrophobicContact CB-CD1 4.01Å; V89-L164 HydrophobicContact CG2-CD1 4.02Å
90	I	97.4	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.8	175.3	-54.8	176.9	0	0	0	107.8	F47 I70 K71 I72 A84 F99 L101	F47-I90 HydrophobicContact CD1-CD1 3.85Å; F47-I90 HydrophobicContact CD1-CG2 4.37Å; F47-I90 HydrophobicContact CD2-CD1 4.32Å; F47-I90 HydrophobicContact CE1-CB 4.29Å; F47-I90 HydrophobicContact CE1-CD1 3.81Å; F47-I90 HydrophobicContact CE1-CG2 3.85Å; F47-I90 HydrophobicContact CE2-CD1 4.29Å; F47-I90 HydrophobicContact CG-CD1 4.11Å; F47-I90 HydrophobicContact CZ-CD1 4.04Å; I70-I90 HydrophobicContact CG2-CG2 4.17Å; K71-I90 WeakPolarHBondContact O-CA 3.45Å; I72-I90 HydrophobicContact CG1-CG1 4.35Å; A84-I90 HydrophobicContact CB-CD1 4.14Å; I90-F99 HydrophobicContact CB-CB 4.47Å; I90-F99 PolarHBondContact N-O 3.25Å; I90-F99 PolarHBondContact O-N 3.17Å; I90-L101 HydrophobicContact CD1-CD1 3.91Å; I90-L101 HydrophobicContact CD1-CD2 4.07Å; I90-L101 HydrophobicContact CD1-CG 3.89Å; I90-L101 HydrophobicContact CG1-CG 4.49Å
91	S	97.5	Very high	96.5	Very high	17 Å²	17	25 Å²	25	12%	0.119	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.9	179.7	-63.3	0	0	0	0	110.2	K71 N98	K71-S91 PolarHBondContact N-O 3.37Å; K71-S91 PolarHBondContact O-N 2.57Å; S91-N98 WeakPolarHBondContact CB-OD1 3.17Å; S91-N98 PolarHBondContact OG-OD1 3.19Å
92	I	96.6	Very high	96.4	Very high	11 Å²	11	23.5 Å²	23.5	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	102.4	175.9	-56.4	177	0	0	0	107.7	L52 Y54 K94 T95 G96 E97 F99	L52-I92 HydrophobicContact CD1-CD1 4.19Å; Y54-I92 HydrophobicContact CD2-CD1 4.23Å; Y54-I92 HydrophobicContact CE2-CD1 3.69Å; I92-K94 VanDerWaalsContact C-N 3.28Å; I92-K94 PolarHBondContact O-N 2.79Å; I92-T95 HydrophobicContact CG2-CG2 4.3Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.31Å; I92-T95 PolarHBondContact O-N 2.96Å; I92-T95 PolarHBondContact O-OG1 2.83Å; I92-G96 PolarHBondContact O-N 3.01Å; I92-E97 PolarHBondContact N-O 2.81Å; I92-F99 HydrophobicContact CD1-CE2 4Å
93	D	91.5	Very high	96.4	Very high	82 Å²	82	22.9 Å²	22.9	44%	0.439	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-39.7	-172.5	-64.5	-32.7	0	0	0	112.1	F69 K71 T95 G96	F69-D93 PolarHBondContact O-N 3.48Å; K71-D93 WeakPolarHBondContact CE-OD2 3.42Å; K71-D93 IonicContact NZ-OD1 2.71Å; K71-D93 PolarHBondContact NZ-OD1 3.34Å; K71-D93 IonicContact NZ-OD2 2.62Å; K71-D93 PolarHBondContact NZ-OD2 2.82Å; D93-T95 VanDerWaalsContact C-N 3.34Å; D93-T95 PolarHBondContact O-N 2.7Å; D93-G96 PolarHBondContact O-N 3.39Å
94	K	93.7	Very high	96.2	Very high	153 Å²	153	24 Å²	24	67%	0.665	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.8	-173.9	-171.8	168	-175.9	175	0	113.6	F69 I92	F69-K94 HydrophobicContact CD1-CB 4.48Å; F69-K94 HydrophobicContact CD2-CB 4.49Å; F69-K94 HydrophobicContact CD2-CD 3.99Å; F69-K94 HydrophobicContact CE1-CD 4.33Å; F69-K94 HydrophobicContact CE2-CD 3.55Å; F69-K94 HydrophobicContact CG-CB 4.35Å; F69-K94 HydrophobicContact CZ-CD 3.77Å; I92-K94 VanDerWaalsContact C-N 3.28Å; I92-K94 PolarHBondContact O-N 2.79Å
95	T	94.5	Very high	96.1	Very high	72 Å²	72	25.2 Å²	25.2	44%	0.442	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-11.1	178	58.2	0	0	0	0	112.4	I92 D93 E97	I92-T95 HydrophobicContact CG2-CG2 4.3Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.31Å; I92-T95 PolarHBondContact O-N 2.96Å; I92-T95 PolarHBondContact O-OG1 2.83Å; D93-T95 VanDerWaalsContact C-N 3.34Å; D93-T95 PolarHBondContact O-N 2.7Å; T95-E97 PolarHBondContact O-N 2.93Å
96	G	94	Very high	96	Very high	53 Å²	53	30.7 Å²	30.7	55%	0.546	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	8.3	-173.7	0	0	0	0	0	114.1	I92 D93	I92-G96 PolarHBondContact O-N 3.01Å; D93-G96 PolarHBondContact O-N 3.39Å
97	E	95.4	Very high	95.8	Very high	50 Å²	50	30.8 Å²	30.8	23%	0.234	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.3	-177.9	-63.3	-168.2	-164.8	0	0	111.5	Y54 I92 T95 F99 R113	Y54-E97 PolarHBondContact OH-OE2 2.83Å; I92-E97 PolarHBondContact N-O 2.81Å; T95-E97 PolarHBondContact O-N 2.93Å; E97-F99 HydrophobicContact CB-CE2 3.82Å; E97-F99 HydrophobicContact CB-CZ 3.93Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.36Å; E97-R113 VanDerWaalsContact CD-NH2 3.29Å; E97-R113 IonicContact OE1-CZ 3.78Å; E97-R113 IonicContact OE1-NH2 2.68Å; E97-R113 PolarHBondContact OE1-NH2 3.43Å; E97-R113 IonicContact OE2-CZ 3.38Å; E97-R113 VanDerWaalsContact OE2-CZ 3.27Å; E97-R113 IonicContact OE2-NE 3.69Å; E97-R113 PolarHBondContact OE2-NE 2.8Å; E97-R113 IonicContact OE2-NH2 3.37Å; E97-R113 PolarHBondContact OE2-NH2 2.95Å
98	N	97.7	Very high	95.7	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139	174.6	-59.4	-62.4	0	0	0	109.9	S91 R113 I114 A119	S91-N98 WeakPolarHBondContact CB-OD1 3.17Å; S91-N98 PolarHBondContact OG-OD1 3.19Å; N98-R113 WeakPolarHBondContact O-CA 3.44Å; N98-I114 HydrophobicContact CB-CD1 4.3Å; N98-I114 HydrophobicContact CB-CG1 3.69Å; N98-I114 PolarHBondContact O-N 2.91Å; N98-A119 HydrophobicContact CB-CB 3.81Å
99	F	97.6	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.6	-179.5	-54.1	-87.6	0	0	0	110.5	F47 L52 V89 I90 I92 E97 V111 H112 R113	F47-F99 HydrophobicContact CE1-CD2 4.24Å; F47-F99 HydrophobicContact CZ-CB 3.96Å; F47-F99 HydrophobicContact CZ-CD1 4.33Å; F47-F99 AromaticContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CE2 4.47Å; F47-F99 AromaticContact CZ-CG 3.82Å; F47-F99 HydrophobicContact CZ-CG 3.82Å; L52-F99 HydrophobicContact CD1-CE2 3.98Å; L52-F99 HydrophobicContact CD1-CZ 3.98Å; L52-F99 HydrophobicContact CD2-CE1 3.77Å; L52-F99 HydrophobicContact CD2-CE2 4.43Å; L52-F99 HydrophobicContact CD2-CZ 3.64Å; L52-F99 HydrophobicContact CG-CZ 4.5Å; V89-F99 CarbonylContact C-O 3.5Å; V89-F99 WeakPolarHBondContact CA-O 3.43Å; I90-F99 HydrophobicContact CB-CB 4.47Å; I90-F99 PolarHBondContact N-O 3.25Å; I90-F99 PolarHBondContact O-N 3.17Å; I92-F99 HydrophobicContact CD1-CE2 4Å; E97-F99 HydrophobicContact CB-CE2 3.82Å; E97-F99 HydrophobicContact CB-CZ 3.93Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.36Å; F99-V111 HydrophobicContact CD1-CG1 3.45Å; F99-V111 VanDerWaalsContact CD1-CG1 3.45Å; F99-V111 HydrophobicContact CE1-CG1 3.45Å; F99-V111 VanDerWaalsContact CE1-CG1 3.45Å; F99-V111 HydrophobicContact CG-CG1 4.47Å; F99-V111 HydrophobicContact CZ-CG1 4.5Å; F99-H112 CarbonylContact C-O 3.57Å; F99-H112 VanDerWaalsContact CA-O 3.26Å; F99-H112 WeakPolarHBondContact CA-O 3.31Å; F99-R113 HydrophobicContact CD1-CG 3.68Å; F99-R113 HydrophobicContact CE1-CG 3.41Å; F99-R113 VanDerWaalsContact CE1-CG 3.41Å; F99-R113 HydrophobicContact CZ-CG 4.38Å
100	R	97.5	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.6	164.5	-169.3	172	-77.7	151.5	-4.3	110	D88 I102 H112 I114 E118 Y121	D88-R100 WeakPolarHBondContact O-CA 3.48Å; R100-I102 HydrophobicContact CB-CD1 4.25Å; R100-I102 HydrophobicContact CB-CG1 4.21Å; R100-I102 HydrophobicContact CG-CD1 4.12Å; R100-I102 HydrophobicContact CG-CG1 3.81Å; R100-I102 PolarHBondContact O-N 3.18Å; R100-H112 PolarHBondContact N-O 3.21Å; R100-I114 HydrophobicContact CB-CD1 4.24Å; R100-I114 HydrophobicContact CB-CG2 3.93Å; R100-E118 IonicContact CZ-OE1 2.9Å; R100-E118 IonicContact NH1-OE1 2.85Å; R100-E118 PolarHBondContact NH1-OE1 2.9Å; R100-E118 PolarHBondContact NH2-O 2.92Å; R100-E118 IonicContact NH2-OE1 3.54Å; R100-Y121 PolarHBondContact NH2-O 2.93Å
101	L	96.6	Very high	95	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105.6	173.2	-70.6	-172.1	0	0	0	110.3	L42 F47 A84 G85 M87 D88 I90 F109	L42-L101 HydrophobicContact CD2-CD2 4.33Å; F47-L101 HydrophobicContact CD2-CD2 4.03Å; F47-L101 HydrophobicContact CE2-CD2 3.89Å; A84-L101 HydrophobicContact CB-CD1 3.54Å; G85-L101 WeakPolarHBondContact O-CB 3.45Å; G85-L101 WeakPolarHBondContact O-CD1 3.45Å; M87-L101 PolarHBondContact N-O 2.71Å; D88-L101 PolarHBondContact O-N 3.29Å; I90-L101 HydrophobicContact CD1-CD1 3.91Å; I90-L101 HydrophobicContact CD1-CD2 4.07Å; I90-L101 HydrophobicContact CD1-CG 3.89Å; I90-L101 HydrophobicContact CG1-CG 4.49Å; L101-F109 HydrophobicContact CB-CD1 4.1Å; L101-F109 HydrophobicContact CB-CE1 4.34Å
102	I	96.4	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.8	177.8	-54.8	174.5	0	0	0	108.4	F86 M87 R100 A110 M182 I236 S237 P239	F86-I102 HydrophobicContact CE2-CG2 4.3Å; M87-I102 HydrophobicContact SD-CG1 4.5Å; R100-I102 HydrophobicContact CB-CD1 4.25Å; R100-I102 HydrophobicContact CB-CG1 4.21Å; R100-I102 HydrophobicContact CG-CD1 4.12Å; R100-I102 HydrophobicContact CG-CG1 3.81Å; R100-I102 PolarHBondContact O-N 3.18Å; I102-A110 WeakPolarHBondContact O-CB 3.42Å; I102-A110 PolarHBondContact O-N 3.08Å; I102-M182 HydrophobicContact CG2-CE 3.5Å; I102-M182 HydrophobicContact CG2-SD 3.68Å; I102-I236 HydrophobicContact CD1-CD1 3.78Å; I102-S237 WeakPolarHBondContact CD1-O 3.34Å; I102-P239 HydrophobicContact CG2-CG 3.97Å
103	Y	96.8	Very high	94.9	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.5	173.5	-64.5	-65.4	0	0	0	111.8	F86 R108 F109 T184 L189	F86-Y103 HydrophobicContact CB-CE2 3.99Å; F86-Y103 AromaticContact CD2-CD2 3.42Å; F86-Y103 HydrophobicContact CD2-CD2 3.42Å; F86-Y103 VanDerWaalsContact CD2-CD2 3.42Å; F86-Y103 AromaticContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CG 4.39Å; F86-Y103 AromaticContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CE2 4.08Å; F86-Y103 HydrophobicContact CG-CD2 4.28Å; F86-Y103 AromaticContact CG-CE2 3.83Å; F86-Y103 HydrophobicContact CG-CE2 3.83Å; Y103-R108 CarbonylContact C-O 3.48Å; Y103-R108 WeakPolarHBondContact CA-O 3.18Å; Y103-F109 HydrophobicContact CD1-CD1 4.17Å; Y103-F109 HydrophobicContact CD1-CE1 4.16Å; Y103-F109 HydrophobicContact CD1-CZ 4.49Å; Y103-F109 AromaticContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD2 4.21Å; Y103-F109 AromaticContact CE1-CE1 3.52Å; Y103-F109 HydrophobicContact CE1-CE1 3.52Å; Y103-F109 AromaticContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CG 4.25Å; Y103-F109 AromaticContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE1-CZ 3.48Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE2-CE1 4.48Å; Y103-F109 AromaticContact CZ-CE1 3.71Å; Y103-F109 AromaticContact CZ-CZ 3.62Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.48Å; Y103-T184 HydrophobicContact CE2-CG2 4.46Å; Y103-L189 HydrophobicContact CD1-CD1 4.02Å; Y103-L189 HydrophobicContact CD1-CD2 4.29Å; Y103-L189 HydrophobicContact CD1-CG 4.26Å; Y103-L189 HydrophobicContact CD2-CD1 3.64Å; Y103-L189 HydrophobicContact CE1-CD1 4.15Å; Y103-L189 HydrophobicContact CE1-CD2 4.38Å; Y103-L189 HydrophobicContact CE2-CD1 3.77Å; Y103-L189 HydrophobicContact CG-CD1 3.78Å; Y103-L189 HydrophobicContact CG-CG 4.22Å
104	D	94.5	Very high	95.2	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.139	22%	0.219	C	C	.	.			trans	-81.1	168.7	161.2	74.3	5.1	0	0	0	111.2	K106 G107 R108 A110 G190	D104-K106 PolarHBondContact O-N 3.44Å; D104-K106 VanDerWaalsContact OD1-C 3.28Å; D104-K106 WeakPolarHBondContact OD1-CA 3.18Å; D104-K106 PolarHBondContact OD1-N 3.47Å; D104-G107 PolarHBondContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 3.3Å; D104-R108 PolarHBondContact N-O 3.47Å; D104-R108 WeakPolarHBondContact OD1-CA 3.39Å; D104-R108 WeakPolarHBondContact OD1-CB 3.37Å; D104-R108 PolarHBondContact OD1-N 3.32Å; D104-R108 IonicContact OD1-NE 2.97Å; D104-R108 IonicContact OD2-CZ 3.81Å; D104-R108 IonicContact OD2-NE 2.75Å; D104-R108 PolarHBondContact OD2-NE 3.28Å; D104-R108 IonicContact OD2-NH2 3.22Å; D104-R108 PolarHBondContact OD2-NH2 2.81Å; D104-A110 HydrophobicContact CB-CB 4.29Å; D104-G190 WeakPolarHBondContact O-CA 3.48Å
105	T	93.9	Very high	95.4	Very high	25 Å²	25	39.4 Å²	39.4	15%	0.153	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8	179.2	52.9	0	0	0	0	114.1	G243 I244 R245	T105-G243 VanDerWaalsContact CG2-CA 3.48Å; T105-I244 WeakPolarHBondContact CG2-O 3.48Å; T105-R245 WeakPolarHBondContact O-CD 3.34Å
106	K	94.5	Very high	95.5	Very high	115 Å²	115	39.6 Å²	39.6	50%	0.5	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.2	174.6	-58.1	-161.9	176.5	-157.9	0	112.2	D104 R108 E251	D104-K106 PolarHBondContact O-N 3.44Å; D104-K106 VanDerWaalsContact OD1-C 3.28Å; D104-K106 WeakPolarHBondContact OD1-CA 3.18Å; D104-K106 PolarHBondContact OD1-N 3.47Å; K106-R108 HydrophobicContact CB-CG 4.42Å; K106-E251 WeakPolarHBondContact CE-OE1 3.41Å; K106-E251 WeakPolarHBondContact CE-OE2 3.38Å; K106-E251 IonicContact NZ-OE1 2.93Å; K106-E251 PolarHBondContact NZ-OE1 3.43Å; K106-E251 IonicContact NZ-OE2 3.01Å; K106-E251 PolarHBondContact NZ-OE2 3.46Å
107	G	93.6	Very high	95.6	Very high	10 Å²	10	43 Å²	43	10%	0.103	21%	0.214	C	C	.	.	S	Bend	trans	76.7	29.3	177.3	0	0	0	0	0	114.8	H17 D104 L189	H17-G107 VanDerWaalsContact CB-O 3.32Å; H17-G107 WeakPolarHBondContact CB-O 3.32Å; D104-G107 PolarHBondContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 3.3Å; G107-L189 VanDerWaalsContact CA-CD2 3.44Å; G107-L189 WeakPolarHBondContact O-CD2 3.44Å
108	R	95.8	Very high	95.6	Very high	86 Å²	86	41.4 Å²	41.4	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	-117.4	151.6	-178	-49.7	170.5	-56.9	176.1	-4.3	109.3	M19 Y103 D104 K106 A110	M19-R108 HydrophobicContact CE-CB 3.76Å; M19-R108 VanDerWaalsContact CE-CD 3.49Å; M19-R108 HydrophobicContact CE-CG 4.02Å; Y103-R108 CarbonylContact C-O 3.48Å; Y103-R108 WeakPolarHBondContact CA-O 3.18Å; D104-R108 PolarHBondContact N-O 3.47Å; D104-R108 WeakPolarHBondContact OD1-CA 3.39Å; D104-R108 WeakPolarHBondContact OD1-CB 3.37Å; D104-R108 PolarHBondContact OD1-N 3.32Å; D104-R108 IonicContact OD1-NE 2.97Å; D104-R108 IonicContact OD2-CZ 3.81Å; D104-R108 IonicContact OD2-NE 2.75Å; D104-R108 PolarHBondContact OD2-NE 3.28Å; D104-R108 IonicContact OD2-NH2 3.22Å; D104-R108 PolarHBondContact OD2-NH2 2.81Å; K106-R108 HydrophobicContact CB-CG 4.42Å; R108-A110 PolarHBondContact O-N 3.1Å
109	F	95.6	Very high	95.6	Very high	4 Å²	4	41 Å²	41	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.9	170.2	-75.8	-70.9	0	0	0	110	H17 E40 L42 L101 Y103	H17-F109 AromaticContact CD2-CD2 3.72Å; H17-F109 AromaticContact CD2-CE2 3.96Å; H17-F109 AromaticContact NE2-CD2 3.86Å; H17-F109 AromaticContact NE2-CE2 3.65Å; E40-F109 WeakPolarHBondContact O-CZ 3.47Å; L42-F109 HydrophobicContact CB-CD2 3.88Å; L42-F109 HydrophobicContact CB-CE2 4.22Å; L42-F109 HydrophobicContact CB-CG 4.38Å; L42-F109 HydrophobicContact CD2-CB 4.16Å; L101-F109 HydrophobicContact CB-CD1 4.1Å; L101-F109 HydrophobicContact CB-CE1 4.34Å; Y103-F109 HydrophobicContact CD1-CD1 4.17Å; Y103-F109 HydrophobicContact CD1-CE1 4.16Å; Y103-F109 HydrophobicContact CD1-CZ 4.49Å; Y103-F109 AromaticContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD2 4.21Å; Y103-F109 AromaticContact CE1-CE1 3.52Å; Y103-F109 HydrophobicContact CE1-CE1 3.52Å; Y103-F109 AromaticContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CG 4.25Å; Y103-F109 AromaticContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE1-CZ 3.48Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE2-CE1 4.48Å; Y103-F109 AromaticContact CZ-CE1 3.71Å; Y103-F109 AromaticContact CZ-CZ 3.62Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.48Å
110	A	92.3	Very high	95.6	Very high	21 Å²	21	46.8 Å²	46.8	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145	172.3	0	0	0	0	0	110.2	I102 D104 R108 H112 P239	I102-A110 WeakPolarHBondContact O-CB 3.42Å; I102-A110 PolarHBondContact O-N 3.08Å; D104-A110 HydrophobicContact CB-CB 4.29Å; R108-A110 PolarHBondContact O-N 3.1Å; A110-H112 PolarHBondContact O-N 3.05Å; A110-P239 HydrophobicContact CB-CB 4.43Å
111	V	88.9	Confident	95.6	Very high	57 Å²	57	49.1 Å²	49.1	35%	0.345	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	88.9	166.7	-178.1	0	0	0	0	107	F47 R51 L52 F99	F47-V111 HydrophobicContact CE2-CG1 4.42Å; F47-V111 HydrophobicContact CE2-CG2 4.11Å; R51-V111 HydrophobicContact CB-CG2 3.65Å; R51-V111 HydrophobicContact CG-CG2 4.31Å; L52-V111 HydrophobicContact CD2-CG1 3.54Å; L52-V111 HydrophobicContact CD2-CG2 4.47Å; F99-V111 HydrophobicContact CD1-CG1 3.45Å; F99-V111 VanDerWaalsContact CD1-CG1 3.45Å; F99-V111 HydrophobicContact CE1-CG1 3.45Å; F99-V111 VanDerWaalsContact CE1-CG1 3.45Å; F99-V111 HydrophobicContact CG-CG1 4.47Å; F99-V111 HydrophobicContact CZ-CG1 4.5Å
112	H	96.2	Very high	95.6	Very high	29 Å²	29	49.1 Å²	49.1	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.1	-178.9	-175	63.8	0	0	0	109.8	F99 R100 A110 S237 L238	F99-H112 CarbonylContact C-O 3.57Å; F99-H112 VanDerWaalsContact CA-O 3.26Å; F99-H112 WeakPolarHBondContact CA-O 3.31Å; R100-H112 PolarHBondContact N-O 3.21Å; A110-H112 PolarHBondContact O-N 3.05Å; H112-S237 WeakPolarHBondContact NE2-CB 3.43Å; H112-S237 PolarHBondContact NE2-O 3.47Å; H112-S237 PolarHBondContact NE2-OG 2.82Å; H112-L238 PolarHBondContact CE1-O 3.48Å
113	R	96.6	Very high	95.7	Very high	156 Å²	156	49.1 Å²	49.1	59%	0.589	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72	137	175.6	-75.4	178.8	171.3	155.9	-6.3	109.9	E97 N98 F99	E97-R113 VanDerWaalsContact CD-NH2 3.29Å; E97-R113 IonicContact OE1-CZ 3.78Å; E97-R113 IonicContact OE1-NH2 2.68Å; E97-R113 PolarHBondContact OE1-NH2 3.43Å; E97-R113 IonicContact OE2-CZ 3.38Å; E97-R113 VanDerWaalsContact OE2-CZ 3.27Å; E97-R113 IonicContact OE2-NE 3.69Å; E97-R113 PolarHBondContact OE2-NE 2.8Å; E97-R113 IonicContact OE2-NH2 3.37Å; E97-R113 PolarHBondContact OE2-NH2 2.95Å; N98-R113 WeakPolarHBondContact O-CA 3.44Å; F99-R113 HydrophobicContact CD1-CG 3.68Å; F99-R113 HydrophobicContact CE1-CG 3.41Å; F99-R113 VanDerWaalsContact CE1-CG 3.41Å; F99-R113 HydrophobicContact CZ-CG 4.38Å
114	I	97.5	Very high	95.8	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.087	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.7	-179.6	62.6	170.3	0	0	0	110.8	V89 N98 R100 E118 A119	V89-I114 HydrophobicContact CG1-CD1 4.05Å; V89-I114 HydrophobicContact CG2-CD1 4.34Å; N98-I114 HydrophobicContact CB-CD1 4.3Å; N98-I114 HydrophobicContact CB-CG1 3.69Å; N98-I114 PolarHBondContact O-N 2.91Å; R100-I114 HydrophobicContact CB-CD1 4.24Å; R100-I114 HydrophobicContact CB-CG2 3.93Å; I114-E118 HydrophobicContact CB-CB 4.3Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CB 4.46Å; I114-E118 HydrophobicContact CD1-CG 4.2Å; I114-E118 HydrophobicContact CG2-CG 4.44Å; I114-A119 HydrophobicContact CD1-CB 3.87Å; I114-A119 HydrophobicContact CG1-CB 4.42Å
115	T	97.2	Very high	95.9	Very high	75 Å²	75	48.2 Å²	48.2	46%	0.46	24%	0.235	S	C	.	.			trans	-74.3	157.9	175.2	62.6	0	0	0	0	111.6	E117 E118 A119	T115-E117 VanDerWaalsContact CB-OE2 3.28Å; T115-E117 WeakPolarHBondContact CB-OE2 3.23Å; T115-E117 PolarHBondContact O-N 2.86Å; T115-E117 PolarHBondContact OG1-OE2 3.43Å; T115-E118 PolarHBondContact O-N 3.28Å; T115-E118 VanDerWaalsContact O-N 3.17Å; T115-E118 PolarHBondContact OG1-N 3.06Å; T115-A119 PolarHBondContact O-N 2.81Å
116	P	96.2	Very high	96.1	Very high	76 Å²	76	47 Å²	47	49%	0.494	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.5	174.8	-25.5	35.5	0	0	0	113.7	A119	P116-A119 WeakPolarHBondContact O-CB 3.33Å; P116-A119 PolarHBondContact O-N 3.07Å
117	E	96.2	Very high	96.3	Very high	124 Å²	124	48.6 Å²	48.6	58%	0.579	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-40.3	177.5	-62.3	71.2	-152.4	0	0	111.7	T115 A119 K120	T115-E117 VanDerWaalsContact CB-OE2 3.28Å; T115-E117 WeakPolarHBondContact CB-OE2 3.23Å; T115-E117 PolarHBondContact O-N 2.86Å; T115-E117 PolarHBondContact OG1-OE2 3.43Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-K120 PolarHBondContact O-N 3.06Å
118	E	96.3	Very high	96.4	Very high	18 Å²	18	53.7 Å²	53.7	8%	0.084	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-73.8	-26.1	178.1	180	168.1	-158	0	0	111.9	R100 I114 T115 K120 Y121 I236 S237	R100-E118 IonicContact CZ-OE1 2.9Å; R100-E118 IonicContact NH1-OE1 2.85Å; R100-E118 PolarHBondContact NH1-OE1 2.9Å; R100-E118 PolarHBondContact NH2-O 2.92Å; R100-E118 IonicContact NH2-OE1 3.54Å; I114-E118 HydrophobicContact CB-CB 4.3Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CB 4.46Å; I114-E118 HydrophobicContact CD1-CG 4.2Å; I114-E118 HydrophobicContact CG2-CG 4.44Å; T115-E118 PolarHBondContact O-N 3.28Å; T115-E118 VanDerWaalsContact O-N 3.17Å; T115-E118 PolarHBondContact OG1-N 3.06Å; E118-K120 PolarHBondContact O-N 2.82Å; E118-Y121 HydrophobicContact CB-CE1 4.35Å; E118-Y121 HydrophobicContact CG-CE1 4.21Å; E118-Y121 PolarHBondContact O-N 2.86Å; E118-I236 WeakPolarHBondContact OE1-CA 3.38Å; E118-S237 VanDerWaalsContact CD-OG 3.22Å; E118-S237 PolarHBondContact OE1-N 3.21Å; E118-S237 PolarHBondContact OE1-OG 2.79Å; E118-S237 VanDerWaalsContact OE2-CB 3.23Å; E118-S237 WeakPolarHBondContact OE2-CB 3.49Å; E118-S237 PolarHBondContact OE2-OG 2.72Å
119	A	97.1	Very high	96.5	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-69.2	-13.2	176.8	0	0	0	0	0	113.8	V89 N98 I114 T115 P116 E117 Y121 L164	V89-A119 HydrophobicContact CG1-CB 3.96Å; N98-A119 HydrophobicContact CB-CB 3.81Å; I114-A119 HydrophobicContact CD1-CB 3.87Å; I114-A119 HydrophobicContact CG1-CB 4.42Å; T115-A119 PolarHBondContact O-N 2.81Å; P116-A119 WeakPolarHBondContact O-CB 3.33Å; P116-A119 PolarHBondContact O-N 3.07Å; E117-A119 VanDerWaalsContact C-N 3.29Å; A119-Y121 VanDerWaalsContact C-N 3.3Å; A119-Y121 PolarHBondContact O-N 3.01Å; A119-L164 WeakPolarHBondContact O-CD1 3.5Å
120	K	97.3	Very high	96.6	Very high	121 Å²	121	56.4 Å²	56.4	53%	0.526	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-75.1	-17.4	177.8	-64	-177.5	179.9	-178.3	0	113.6	E117 E118 L164	E117-K120 PolarHBondContact O-N 3.06Å; E118-K120 PolarHBondContact O-N 2.82Å; K120-L164 WeakPolarHBondContact O-CB 3.4Å; K120-L164 PolarHBondContact O-N 2.86Å
121	Y	97.6	Very high	96.8	Very high	50 Å²	50	60.4 Å²	60.4	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161	-178.4	70.3	-91.8	0	0	0	112.7	R100 E118 A119 Q161 I162 W235 I236	R100-Y121 PolarHBondContact NH2-O 2.93Å; E118-Y121 HydrophobicContact CB-CE1 4.35Å; E118-Y121 HydrophobicContact CG-CE1 4.21Å; E118-Y121 PolarHBondContact O-N 2.86Å; A119-Y121 VanDerWaalsContact C-N 3.3Å; A119-Y121 PolarHBondContact O-N 3.01Å; Y121-Q161 HydrophobicContact CD2-CG 3.79Å; Y121-Q161 HydrophobicContact CG-CG 4.14Å; Y121-I162 VanDerWaalsContact CA-O 3.24Å; Y121-I162 WeakPolarHBondContact CA-O 3.42Å; Y121-I162 WeakPolarHBondContact CB-O 3.39Å; Y121-W235 PolarHBondContact OH-O 3.36Å; Y121-I236 HydrophobicContact CE2-CG2 4.4Å
122	K	97.6	Very high	97.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.3	166.6	69.7	-179.6	-66.2	-171.4	0	110.9	D73 M87 D88 V89 D143 I162 L164	D73-K122 IonicContact OD1-NZ 2.86Å; D73-K122 WeakPolarHBondContact OD2-CD 3.35Å; D73-K122 IonicContact OD2-NZ 2.81Å; D73-K122 PolarHBondContact OD2-NZ 2.85Å; M87-K122 WeakPolarHBondContact O-CB 3.47Å; M87-K122 WeakPolarHBondContact O-CE 3.47Å; D88-K122 IonicContact OD1-NZ 2.72Å; D88-K122 PolarHBondContact OD1-NZ 3.29Å; V89-K122 HydrophobicContact CG2-CB 4.41Å; K122-D143 IonicContact NZ-OD2 3.87Å; K122-D143 PolarHBondContact NZ-OD2 2.83Å; K122-I162 PolarHBondContact N-O 2.79Å; K122-I162 PolarHBondContact O-N 3.49Å; K122-L164 HydrophobicContact CB-CD2 4.49Å; K122-L164 HydrophobicContact CD-CD2 3.66Å; K122-L164 HydrophobicContact CG-CD2 3.78Å; K122-L164 HydrophobicContact CG-CG 4.38Å
123	L	98	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.1	170.9	-58.8	-170.1	0	0	0	110.3	M87 T159 I160 Q161 F226 I228 W235 I236	M87-L123 WeakPolarHBondContact CB-O 3.31Å; M87-L123 HydrophobicContact CE-CB 3.69Å; M87-L123 HydrophobicContact CE-CD1 3.69Å; M87-L123 HydrophobicContact CE-CG 3.93Å; L123-T159 HydrophobicContact CB-CG2 3.66Å; L123-T159 HydrophobicContact CD1-CG2 4.15Å; L123-T159 HydrophobicContact CD2-CG2 4.43Å; L123-T159 HydrophobicContact CG-CG2 4.3Å; L123-I160 CarbonylContact C-O 3.52Å; L123-I160 WeakPolarHBondContact CA-O 3.26Å; L123-Q161 HydrophobicContact CD2-CB 3.87Å; L123-Q161 HydrophobicContact CD2-CG 4.09Å; L123-F226 HydrophobicContact CB-CE1 3.84Å; L123-F226 HydrophobicContact CB-CZ 3.98Å; L123-F226 HydrophobicContact CD1-CE1 4.47Å; L123-I228 HydrophobicContact CD1-CB 4.44Å; L123-W235 HydrophobicContact CD1-CB 4.18Å; L123-W235 HydrophobicContact CD2-CB 4.47Å; L123-W235 HydrophobicContact CD2-CE3 3.87Å; L123-I236 HydrophobicContact CD1-CG2 3.7Å; L123-I236 HydrophobicContact CG-CG2 3.83Å
124	C	98.1	Very high	97.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.2	176.5	-75.9	0	0	0	0	111.2	T141 D143 T159 I160 I162	C124-T141 HydrophobicContact CB-CG2 3.66Å; C124-D143 PolarHBondContact SG-OD1 3.31Å; C124-T159 WeakPolarHBondContact O-CA 3.48Å; C124-I160 HydrophobicContact CB-CD1 4.45Å; C124-I160 HydrophobicContact CB-CG1 4Å; C124-I160 PolarHBondContact N-O 3.44Å; C124-I160 WeakPolarHBondContact O-CG1 3.49Å; C124-I160 PolarHBondContact O-N 2.85Å; C124-I162 HydrophobicContact CB-CD1 3.73Å
125	K	98.1	Very high	97.1	Very high	14 Å²	14	66.9 Å²	66.9	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.6	171	179.4	177.7	-178.1	180	0	111	T141 H142 N157 D158 L222 I225 F226	K125-T141 CarbonylContact O-C 3.45Å; K125-T141 VanDerWaalsContact O-CA 3.27Å; K125-T141 WeakPolarHBondContact O-CA 3.21Å; K125-H142 HydrophobicContact CB-CB 4.41Å; K125-H142 PolarHBondContact N-ND1 2.85Å; K125-H142 PolarHBondContact O-N 3.2Å; K125-N157 WeakPolarHBondContact CE-OD1 3.41Å; K125-N157 PolarHBondContact NZ-OD1 3.41Å; K125-D158 WeakPolarHBondContact CA-O 3.35Å; K125-L222 PolarHBondContact NZ-O 3.36Å; K125-I225 WeakPolarHBondContact CD-O 3.5Å; K125-I225 WeakPolarHBondContact CE-O 3.25Å; K125-I225 PolarHBondContact NZ-O 2.94Å; K125-F226 HydrophobicContact CB-CD2 3.6Å; K125-F226 HydrophobicContact CB-CE2 3.49Å; K125-F226 VanDerWaalsContact CB-CE2 3.49Å; K125-F226 HydrophobicContact CB-CG 4.4Å; K125-F226 HydrophobicContact CB-CZ 4.18Å; K125-F226 HydrophobicContact CD-CD2 4.4Å
126	V	98.2	Very high	97	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.2	173.9	-179	0	0	0	0	109.8	I129 L139 I154 N157 D158 I160	V126-I129 HydrophobicContact CG1-CD1 4.28Å; V126-I129 HydrophobicContact CG1-CG1 3.88Å; V126-L139 HydrophobicContact CG1-CB 4.18Å; V126-L139 HydrophobicContact CG2-CD2 4.08Å; V126-I154 HydrophobicContact CG2-CG2 3.87Å; V126-N157 WeakPolarHBondContact O-CA 3.37Å; V126-N157 PolarHBondContact O-N 3.01Å; V126-D158 PolarHBondContact N-O 3.02Å; V126-I160 HydrophobicContact CG2-CG1 4.34Å; V126-I160 HydrophobicContact CG2-CG2 3.92Å
127	R	97.2	Very high	97.1	Very high	148 Å²	148	62.9 Å²	62.9	56%	0.558	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	-35.6	-179.6	-73.1	-166.3	67.5	-168.6	-0.4	113.9	V140 H142 V156	R127-V140 PolarHBondContact N-O 3.18Å; R127-H142 HydrophobicContact CG-CB 4.22Å; R127-V156 WeakPolarHBondContact O-CG1 3.15Å
128	K	97	Very high	97.2	Very high	118 Å²	118	58.4 Å²	58.4	51%	0.513	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.7	175.8	60.2	174.2	-175.9	175.4	0	110.3	L139 V140	K128-L139 WeakPolarHBondContact O-CA 3.36Å; K128-V140 HydrophobicContact CD-CG2 4.32Å; K128-V140 HydrophobicContact CG-CB 3.73Å; K128-V140 HydrophobicContact CG-CG2 3.87Å; K128-V140 PolarHBondContact N-O 3.19Å; K128-V140 PolarHBondContact O-N 2.94Å
129	I	97.5	Very high	97.2	Very high	65 Å²	65	57.5 Å²	57.5	33%	0.333	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.5	172.9	-59.2	174.1	0	0	0	106.3	V126 H138 L139 I154 V156	V126-I129 HydrophobicContact CG1-CD1 4.28Å; V126-I129 HydrophobicContact CG1-CG1 3.88Å; I129-H138 CarbonylContact C-O 3.56Å; I129-H138 VanDerWaalsContact CA-O 3.3Å; I129-H138 WeakPolarHBondContact CA-O 3.48Å; I129-H138 WeakPolarHBondContact CG2-O 3.46Å; I129-L139 HydrophobicContact CG1-CB 4.17Å; I129-I154 WeakPolarHBondContact CD1-O 3.17Å; I129-V156 HydrophobicContact CD1-CG2 4.47Å; I129-V156 HydrophobicContact CG1-CG2 4.3Å
130	F	97	Very high	97.3	Very high	82 Å²	82	57.9 Å²	57.9	36%	0.36	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.4	177.6	66.7	-83.7	0	0	0	110.4	H138 V140 T146	F130-H138 HydrophobicContact CD1-CB 3.94Å; F130-H138 HydrophobicContact CD2-CB 4.15Å; F130-H138 HydrophobicContact CE1-CB 3.48Å; F130-H138 VanDerWaalsContact CE1-CB 3.48Å; F130-H138 HydrophobicContact CE2-CB 3.72Å; F130-H138 AromaticContact CE2-CD2 3.77Å; F130-H138 AromaticContact CE2-CG 3.79Å; F130-H138 HydrophobicContact CG-CB 4.26Å; F130-H138 HydrophobicContact CZ-CB 3.37Å; F130-H138 AromaticContact CZ-CG 3.7Å; F130-H138 PolarHBondContact N-O 3.17Å; F130-H138 PolarHBondContact O-N 3.34Å; F130-V140 HydrophobicContact CD1-CG2 4.26Å; F130-V140 HydrophobicContact CE1-CG2 3.64Å; F130-T146 HydrophobicContact CE1-CG2 4.49Å; F130-T146 HydrophobicContact CZ-CG2 4.31Å
131	V	97.3	Very high	97.3	Very high	104 Å²	104	52.1 Å²	52.1	63%	0.63	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.1	173.7	-177.1	0	0	0	0	107.6	G135	V131-G135 VanDerWaalsContact CG1-C 3.45Å; V131-G135 VanDerWaalsContact CG1-CA 3.48Å
132	G	95.6	Very high	97.3	Very high	22 Å²	22	51.4 Å²	51.4	23%	0.227	27%	0.27	C	S	.	.			trans	-84.1	-166.4	178.1	0	0	0	0	0	112.2	G135 I136	G132-G135 PolarHBondContact O-N 3.21Å; G132-I136 PolarHBondContact N-O 2.93Å
133	T	96.7	Very high	97.2	Very high	120 Å²	120	51.6 Å²	51.6	74%	0.736	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.1	148.9	173.4	53.9	0	0	0	0	110.6	G135 I136	T133-G135 PolarHBondContact O-N 3.46Å; T133-I136 PolarHBondContact O-N 3.49Å
134	K	97	Very high	97.1	Very high	201 Å²	201	54.7 Å²	54.7	87%	0.874	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	61	22.4	-177.1	-51	-178	176.7	-174.7	0	114.8	I136	K134-I136 VanDerWaalsContact C-N 3.27Å; K134-I136 HydrophobicContact CB-CD1 4.43Å; K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.98Å
135	G	95.2	Very high	97	Very high	52 Å²	52	57.6 Å²	57.6	54%	0.536	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	74.8	13.9	177.1	0	0	0	0	0	114.4	V131 G132 T133 P137	V131-G135 VanDerWaalsContact CG1-C 3.45Å; V131-G135 VanDerWaalsContact CG1-CA 3.48Å; G132-G135 PolarHBondContact O-N 3.21Å; T133-G135 PolarHBondContact O-N 3.46Å; G135-P137 WeakPolarHBondContact O-CD 3.48Å
136	I	97.1	Very high	97	Very high	23 Å²	23	60.7 Å²	60.7	12%	0.118	33%	0.328	C	S	.	.			trans	-75.6	122.2	-175.5	-61.4	172.3	0	0	0	109.8	G132 T133 K134 H138 R148 Y149	G132-I136 PolarHBondContact N-O 2.93Å; T133-I136 PolarHBondContact O-N 3.49Å; K134-I136 VanDerWaalsContact C-N 3.27Å; K134-I136 HydrophobicContact CB-CD1 4.43Å; K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.98Å; I136-H138 PolarHBondContact O-CD2 3.48Å; I136-R148 HydrophobicContact CG2-CB 4.38Å; I136-R148 HydrophobicContact CG2-CG 4.38Å; I136-Y149 HydrophobicContact CB-CE1 4.37Å; I136-Y149 WeakPolarHBondContact CD1-OH 3.28Å; I136-Y149 HydrophobicContact CG1-CE1 4.13Å; I136-Y149 WeakPolarHBondContact CG1-OH 3.49Å; I136-Y149 HydrophobicContact CG2-CD1 4.21Å; I136-Y149 HydrophobicContact CG2-CD2 4.49Å; I136-Y149 HydrophobicContact CG2-CE1 3.77Å; I136-Y149 HydrophobicContact CG2-CE2 4.09Å
137	P	97.6	Very high	96.9	Very high	45 Å²	45	61.8 Å²	61.8	29%	0.292	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.3	175.2	28.5	-31.6	0	0	0	111.2	G135 Y149 P150	G135-P137 WeakPolarHBondContact O-CD 3.48Å; P137-Y149 PolarHBondContact O-N 3.23Å; P137-P150 HydrophobicContact CB-CG 4.45Å; P137-P150 VanDerWaalsContact O-CD 3.29Å; P137-P150 WeakPolarHBondContact O-CD 3.41Å
138	H	97.7	Very high	96.8	Very high	29 Å²	29	62 Å²	62	13%	0.134	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.8	176.2	-66.4	-100.7	0	0	0	110.1	I129 F130 I136 T146 I147 R148	I129-H138 CarbonylContact C-O 3.56Å; I129-H138 VanDerWaalsContact CA-O 3.3Å; I129-H138 WeakPolarHBondContact CA-O 3.48Å; I129-H138 WeakPolarHBondContact CG2-O 3.46Å; F130-H138 HydrophobicContact CD1-CB 3.94Å; F130-H138 HydrophobicContact CD2-CB 4.15Å; F130-H138 HydrophobicContact CE1-CB 3.48Å; F130-H138 VanDerWaalsContact CE1-CB 3.48Å; F130-H138 HydrophobicContact CE2-CB 3.72Å; F130-H138 AromaticContact CE2-CD2 3.77Å; F130-H138 AromaticContact CE2-CG 3.79Å; F130-H138 HydrophobicContact CG-CB 4.26Å; F130-H138 HydrophobicContact CZ-CB 3.37Å; F130-H138 AromaticContact CZ-CG 3.7Å; F130-H138 PolarHBondContact N-O 3.17Å; F130-H138 PolarHBondContact O-N 3.34Å; I136-H138 PolarHBondContact O-CD2 3.48Å; H138-T146 HydrophobicContact CB-CG2 4.13Å; H138-I147 WeakPolarHBondContact CA-O 3.33Å; H138-R148 WeakPolarHBondContact CE1-CG 3.32Å; H138-R148 WeakPolarHBondContact ND1-CG 3.33Å
139	L	97	Very high	96.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	154.3	162.9	67.7	74.2	0	0	0	111.2	V126 K128 I129 T141 T146 I147 P150 I154 I160 I169	V126-L139 HydrophobicContact CG1-CB 4.18Å; V126-L139 HydrophobicContact CG2-CD2 4.08Å; K128-L139 WeakPolarHBondContact O-CA 3.36Å; I129-L139 HydrophobicContact CG1-CB 4.17Å; L139-T141 HydrophobicContact CD1-CG2 3.78Å; L139-T146 VanDerWaalsContact O-CA 3.28Å; L139-T146 WeakPolarHBondContact O-CA 3.5Å; L139-I147 HydrophobicContact CD1-CB 3.91Å; L139-I147 HydrophobicContact CD1-CD1 4.16Å; L139-I147 HydrophobicContact CD1-CG1 4.16Å; L139-I147 HydrophobicContact CG-CB 4.14Å; L139-I147 PolarHBondContact N-O 2.8Å; L139-I147 PolarHBondContact O-N 2.67Å; L139-P150 HydrophobicContact CB-CG 4.37Å; L139-P150 HydrophobicContact CD2-CB 3.53Å; L139-P150 HydrophobicContact CD2-CG 4.17Å; L139-P150 HydrophobicContact CG-CB 4.1Å; L139-P150 HydrophobicContact CG-CG 4.33Å; L139-I154 HydrophobicContact CD2-CG2 4.21Å; L139-I160 HydrophobicContact CD1-CD1 3.89Å; L139-I160 HydrophobicContact CD2-CD1 4.18Å; L139-I169 HydrophobicContact CD2-CD1 3.78Å
140	V	98	Very high	96.8	Very high	21 Å²	21	61.2 Å²	61.2	13%	0.127	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.5	172	-176.5	0	0	0	0	109.4	R127 K128 F130 R145	R127-V140 PolarHBondContact N-O 3.18Å; K128-V140 HydrophobicContact CD-CG2 4.32Å; K128-V140 HydrophobicContact CG-CB 3.73Å; K128-V140 HydrophobicContact CG-CG2 3.87Å; K128-V140 PolarHBondContact N-O 3.19Å; K128-V140 PolarHBondContact O-N 2.94Å; F130-V140 HydrophobicContact CD1-CG2 4.26Å; F130-V140 HydrophobicContact CE1-CG2 3.64Å; V140-R145 WeakPolarHBondContact CA-O 3.17Å
141	T	97.9	Very high	96.7	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	170.4	179.4	60.8	0	0	0	0	112.6	C124 K125 L139 D143 A144 R145 I160 I162	C124-T141 HydrophobicContact CB-CG2 3.66Å; K125-T141 CarbonylContact O-C 3.45Å; K125-T141 VanDerWaalsContact O-CA 3.27Å; K125-T141 WeakPolarHBondContact O-CA 3.21Å; L139-T141 HydrophobicContact CD1-CG2 3.78Å; T141-D143 WeakPolarHBondContact CB-OD1 3.36Å; T141-D143 PolarHBondContact O-N 2.71Å; T141-D143 PolarHBondContact OG1-OD1 2.9Å; T141-A144 PolarHBondContact O-N 3.1Å; T141-A144 VanDerWaalsContact O-N 3.09Å; T141-R145 HydrophobicContact CG2-CB 4.39Å; T141-R145 PolarHBondContact N-O 3.04Å; T141-R145 WeakPolarHBondContact OG1-CB 3.38Å; T141-R145 PolarHBondContact OG1-N 3.4Å; T141-R145 PolarHBondContact OG1-O 2.79Å; T141-I160 HydrophobicContact CG2-CD1 3.83Å; T141-I160 HydrophobicContact CG2-CG1 4.46Å; T141-I162 HydrophobicContact CG2-CD1 4.3Å
142	H	97.1	Very high	96.6	Very high	34 Å²	34	61.1 Å²	61.1	16%	0.157	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.7	175.2	76.6	-65.9	0	0	0	114.5	H36 F86 K125 R127 A144 F226	H36-H142 AromaticContact CE1-CD2 3.94Å; H36-H142 AromaticContact CE1-NE2 3.79Å; F86-H142 PolarHBondContact O-NE2 3.06Å; K125-H142 HydrophobicContact CB-CB 4.41Å; K125-H142 PolarHBondContact N-ND1 2.85Å; K125-H142 PolarHBondContact O-N 3.2Å; R127-H142 HydrophobicContact CG-CB 4.22Å; H142-A144 VanDerWaalsContact C-N 3.29Å; H142-F226 AromaticContact CE1-CE2 3.76Å; H142-F226 AromaticContact ND1-CE2 3.88Å
143	D	95.8	Very high	96.7	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.027	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	24.1	173.6	67.6	-30.2	0	0	0	112.5	P35 K122 C124 T141 R145	P35-D143 HydrophobicContact CB-CB 4.07Å; P35-D143 WeakPolarHBondContact CB-O 3.17Å; K122-D143 IonicContact NZ-OD2 3.87Å; K122-D143 PolarHBondContact NZ-OD2 2.83Å; C124-D143 PolarHBondContact SG-OD1 3.31Å; T141-D143 WeakPolarHBondContact CB-OD1 3.36Å; T141-D143 PolarHBondContact O-N 2.71Å; T141-D143 PolarHBondContact OG1-OD1 2.9Å; D143-R145 PolarHBondContact O-N 3.19Å; D143-R145 VanDerWaalsContact O-N 3.08Å; D143-R145 VanDerWaalsContact OD2-CD 3.32Å; D143-R145 WeakPolarHBondContact OD2-CD 3.32Å; D143-R145 IonicContact OD2-CZ 3.63Å; D143-R145 IonicContact OD2-NE 3.18Å; D143-R145 PolarHBondContact OD2-NE 2.97Å
144	A	96.3	Very high	96.7	Very high	64 Å²	64	59 Å²	59	53%	0.529	31%	0.311	S	S	.	.			trans	61.4	16.1	172.5	0	0	0	0	0	116.4	T141 H142	T141-A144 PolarHBondContact O-N 3.1Å; T141-A144 VanDerWaalsContact O-N 3.09Å; H142-A144 VanDerWaalsContact C-N 3.29Å
145	R	96.3	Very high	96.8	Very high	61 Å²	61	55.3 Å²	55.3	23%	0.23	30%	0.295	C	S	.	.			trans	-71.5	138.5	170.1	-59.2	174.6	178	-103.6	-1.5	109	D73 V140 T141 D143	D73-R145 IonicContact OD2-CZ 3.89Å; D73-R145 IonicContact OD2-NH2 3.57Å; D73-R145 PolarHBondContact OD2-NH2 2.96Å; V140-R145 WeakPolarHBondContact CA-O 3.17Å; T141-R145 HydrophobicContact CG2-CB 4.39Å; T141-R145 PolarHBondContact N-O 3.04Å; T141-R145 WeakPolarHBondContact OG1-CB 3.38Å; T141-R145 PolarHBondContact OG1-N 3.4Å; T141-R145 PolarHBondContact OG1-O 2.79Å; D143-R145 PolarHBondContact O-N 3.19Å; D143-R145 VanDerWaalsContact O-N 3.08Å; D143-R145 VanDerWaalsContact OD2-CD 3.32Å; D143-R145 WeakPolarHBondContact OD2-CD 3.32Å; D143-R145 IonicContact OD2-CZ 3.63Å; D143-R145 IonicContact OD2-NE 3.18Å; D143-R145 PolarHBondContact OD2-NE 2.97Å
146	T	97.1	Very high	96.8	Very high	80 Å²	80	55.9 Å²	55.9	49%	0.491	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.2	172.4	-57.5	0	0	0	0	108.7	F130 H138 L139	F130-T146 HydrophobicContact CE1-CG2 4.49Å; F130-T146 HydrophobicContact CZ-CG2 4.31Å; H138-T146 HydrophobicContact CB-CG2 4.13Å; L139-T146 VanDerWaalsContact O-CA 3.28Å; L139-T146 WeakPolarHBondContact O-CA 3.5Å
147	I	96.4	Very high	96.8	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.5	-178.8	-57.3	175.3	0	0	0	108.3	H138 L139 I160 I162 I169	H138-I147 WeakPolarHBondContact CA-O 3.33Å; L139-I147 HydrophobicContact CD1-CB 3.91Å; L139-I147 HydrophobicContact CD1-CD1 4.16Å; L139-I147 HydrophobicContact CD1-CG1 4.16Å; L139-I147 HydrophobicContact CG-CB 4.14Å; L139-I147 PolarHBondContact N-O 2.8Å; L139-I147 PolarHBondContact O-N 2.67Å; I147-I160 HydrophobicContact CD1-CD1 3.79Å; I147-I162 HydrophobicContact CD1-CD1 3.7Å; I147-I162 HydrophobicContact CD1-CG1 4.05Å; I147-I169 HydrophobicContact CB-CD1 4.43Å; I147-I169 HydrophobicContact CD1-CD1 4.06Å; I147-I169 HydrophobicContact CD1-CG1 3.82Å; I147-I169 HydrophobicContact CG2-CD1 3.92Å; I147-I169 HydrophobicContact CG2-CG1 4.15Å
148	R	96.1	Very high	96.8	Very high	153 Å²	153	54.4 Å²	54.4	58%	0.577	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	152.5	178.4	-69.1	-170	-64.9	164.9	0.9	110.7	I136 H138 P150	I136-R148 HydrophobicContact CG2-CB 4.38Å; I136-R148 HydrophobicContact CG2-CG 4.38Å; H138-R148 WeakPolarHBondContact CE1-CG 3.32Å; H138-R148 WeakPolarHBondContact ND1-CG 3.33Å; R148-P150 VanDerWaalsContact C-CD 3.49Å
149	Y	95.8	Very high	96.8	Very high	151 Å²	151	53 Å²	53	59%	0.592	27%	0.271	S	S	*	.	S	Bend	trans	52.4	49.6	177.5	-52.7	-73.9	0	0	0	113.2	I136 P137	I136-Y149 HydrophobicContact CB-CE1 4.37Å; I136-Y149 WeakPolarHBondContact CD1-OH 3.28Å; I136-Y149 HydrophobicContact CG1-CE1 4.13Å; I136-Y149 WeakPolarHBondContact CG1-OH 3.49Å; I136-Y149 HydrophobicContact CG2-CD1 4.21Å; I136-Y149 HydrophobicContact CG2-CD2 4.49Å; I136-Y149 HydrophobicContact CG2-CE1 3.77Å; I136-Y149 HydrophobicContact CG2-CE2 4.09Å; P137-Y149 PolarHBondContact O-N 3.23Å
150	P	96.9	Very high	96.9	Very high	15 Å²	15	53 Å²	53	10%	0.097	27%	0.271	C	S	.	.			trans	-66.8	158.7	171.7	33	-36.3	0	0	0	110.7	P137 L139 R148 I154 I169	P137-P150 HydrophobicContact CB-CG 4.45Å; P137-P150 VanDerWaalsContact O-CD 3.29Å; P137-P150 WeakPolarHBondContact O-CD 3.41Å; L139-P150 HydrophobicContact CB-CG 4.37Å; L139-P150 HydrophobicContact CD2-CB 3.53Å; L139-P150 HydrophobicContact CD2-CG 4.17Å; L139-P150 HydrophobicContact CG-CB 4.1Å; L139-P150 HydrophobicContact CG-CG 4.33Å; R148-P150 VanDerWaalsContact C-CD 3.49Å; P150-I154 HydrophobicContact CB-CD1 4.28Å; P150-I169 HydrophobicContact CB-CD1 4.32Å
151	D	96	Very high	96.9	Very high	73 Å²	73	53.7 Å²	53.7	39%	0.39	27%	0.273	S	S	.	.			trans	-56	130.2	171.7	-171.4	-55.1	0	0	0	110.5	L153 I154 F172	D151-L153 PolarHBondContact O-N 3.28Å; D151-L153 VanDerWaalsContact O-N 3.1Å; D151-L153 WeakPolarHBondContact OD1-CB 3.37Å; D151-L153 WeakPolarHBondContact OD1-CG 3.38Å; D151-L153 PolarHBondContact OD1-N 3.24Å; D151-I154 HydrophobicContact CB-CD1 3.83Å; D151-I154 HydrophobicContact CB-CG1 4.08Å; D151-I154 WeakPolarHBondContact O-CB 3.38Å; D151-I154 PolarHBondContact O-N 3.41Å; D151-F172 HydrophobicContact CB-CE1 4.41Å
152	P	96	Very high	96.8	Very high	110 Å²	110	53.7 Å²	53.7	71%	0.714	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	-179.7	-25.3	34.5	0	0	0	115.2	I154 K155	P152-I154 VanDerWaalsContact C-N 3.29Å; P152-K155 PolarHBondContact O-NZ 3.24Å
153	L	97	Very high	96.8	Very high	94 Å²	94	53.8 Å²	53.8	49%	0.492	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20	178.1	-63	174.8	0	0	0	113	D151 F172	D151-L153 PolarHBondContact O-N 3.28Å; D151-L153 VanDerWaalsContact O-N 3.1Å; D151-L153 WeakPolarHBondContact OD1-CB 3.37Å; D151-L153 WeakPolarHBondContact OD1-CG 3.38Å; D151-L153 PolarHBondContact OD1-N 3.24Å; L153-F172 HydrophobicContact CB-CE2 4.24Å; L153-F172 HydrophobicContact CB-CZ 3.74Å; L153-F172 HydrophobicContact CD1-CZ 4.31Å
154	I	97.5	Very high	96.8	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	28%	0.278	C	S	.	.			trans	-71.6	128.9	179.4	-63.2	167.5	0	0	0	109.6	V126 I129 L139 P150 D151 P152 D158 I160 I169 F172	V126-I154 HydrophobicContact CG2-CG2 3.87Å; I129-I154 WeakPolarHBondContact CD1-O 3.17Å; L139-I154 HydrophobicContact CD2-CG2 4.21Å; P150-I154 HydrophobicContact CB-CD1 4.28Å; D151-I154 HydrophobicContact CB-CD1 3.83Å; D151-I154 HydrophobicContact CB-CG1 4.08Å; D151-I154 WeakPolarHBondContact O-CB 3.38Å; D151-I154 PolarHBondContact O-N 3.41Å; P152-I154 VanDerWaalsContact C-N 3.29Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; I154-I160 HydrophobicContact CD1-CG2 3.89Å; I154-I160 HydrophobicContact CG1-CG2 4.46Å; I154-I160 HydrophobicContact CG2-CG2 4.14Å; I154-I169 HydrophobicContact CD1-CD1 4.28Å; I154-F172 HydrophobicContact CD1-CB 4.35Å; I154-F172 HydrophobicContact CD1-CD1 4.17Å; I154-F172 HydrophobicContact CD1-CG 4.23Å; I154-F172 HydrophobicContact CG1-CB 4.14Å; I154-F172 HydrophobicContact CG1-CD1 3.87Å; I154-F172 HydrophobicContact CG1-CD2 3.86Å; I154-F172 HydrophobicContact CG1-CE1 4.21Å; I154-F172 HydrophobicContact CG1-CE2 4.2Å; I154-F172 HydrophobicContact CG1-CG 3.69Å; I154-F172 HydrophobicContact CG1-CZ 4.37Å
155	K	97.1	Very high	96.7	Very high	122 Å²	122	58.9 Å²	58.9	53%	0.53	29%	0.288	S	S	.	.			trans	-119.7	173.2	177.5	-57.4	-57.6	177	-154.5	0	111.9	P152 D158	P152-K155 PolarHBondContact O-NZ 3.24Å; K155-D158 PolarHBondContact N-OD2 3.12Å; K155-D158 WeakPolarHBondContact O-CB 3.48Å; K155-D158 PolarHBondContact O-N 3.35Å
156	V	96.6	Very high	96.6	Very high	65 Å²	65	59.9 Å²	59.9	39%	0.394	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	138	177.4	-178.6	0	0	0	0	110	R127 I129 D158	R127-V156 WeakPolarHBondContact O-CG1 3.15Å; I129-V156 HydrophobicContact CD1-CG2 4.47Å; I129-V156 HydrophobicContact CG1-CG2 4.3Å; V156-D158 VanDerWaalsContact C-N 3.3Å
157	N	97	Very high	96.5	Very high	29 Å²	29	57.5 Å²	57.5	16%	0.155	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-7.9	-173	-53.5	-69.2	0	0	0	116.6	K125 V126 F175 L222	K125-N157 WeakPolarHBondContact CE-OD1 3.41Å; K125-N157 PolarHBondContact NZ-OD1 3.41Å; V126-N157 WeakPolarHBondContact O-CA 3.37Å; V126-N157 PolarHBondContact O-N 3.01Å; N157-F175 HydrophobicContact CB-CB 4.18Å; N157-F175 HydrophobicContact CB-CD1 4.21Å; N157-F175 HydrophobicContact CB-CG 4.11Å; N157-L222 HydrophobicContact CB-CD1 4.5Å
158	D	97.4	Very high	96.4	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.037	32%	0.317	C	S	.	.			trans	-65.1	158.1	168.7	-64.5	-8.4	0	0	0	110.3	K125 V126 I154 K155 V156 I173 K174 F175	K125-D158 WeakPolarHBondContact CA-O 3.35Å; V126-D158 PolarHBondContact N-O 3.02Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; K155-D158 PolarHBondContact N-OD2 3.12Å; K155-D158 WeakPolarHBondContact O-CB 3.48Å; K155-D158 PolarHBondContact O-N 3.35Å; V156-D158 VanDerWaalsContact C-N 3.3Å; D158-I173 WeakPolarHBondContact CA-O 3.38Å; D158-I173 WeakPolarHBondContact CB-O 3.2Å; D158-K174 WeakPolarHBondContact OD1-CA 2.99Å; D158-F175 PolarHBondContact OD1-N 2.98Å
159	T	98.2	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.4	174.6	-63.2	0	0	0	0	109.4	L123 C124 F172 I173 F226 V227	L123-T159 HydrophobicContact CB-CG2 3.66Å; L123-T159 HydrophobicContact CD1-CG2 4.15Å; L123-T159 HydrophobicContact CD2-CG2 4.43Å; L123-T159 HydrophobicContact CG-CG2 4.3Å; C124-T159 WeakPolarHBondContact O-CA 3.48Å; T159-F172 CarbonylContact O-C 3.58Å; T159-F172 VanDerWaalsContact O-CA 3.31Å; T159-F172 WeakPolarHBondContact O-CA 3.28Å; T159-I173 PolarHBondContact N-O 2.86Å; T159-I173 PolarHBondContact O-N 3.47Å; T159-F226 HydrophobicContact CG2-CD1 4.45Å; T159-F226 HydrophobicContact CG2-CE1 3.58Å; T159-F226 HydrophobicContact CG2-CZ 3.95Å; T159-V227 WeakPolarHBondContact CB-O 3.36Å; T159-V227 VanDerWaalsContact CG2-O 3.31Å; T159-V227 WeakPolarHBondContact CG2-O 3.38Å; T159-V227 PolarHBondContact OG1-N 2.92Å; T159-V227 PolarHBondContact OG1-O 2.99Å
160	I	97.8	Very high	96.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.7	174.6	55.6	164.3	0	0	0	110.2	L123 C124 V126 L139 T141 I147 I154 I162 I169 F172	L123-I160 CarbonylContact C-O 3.52Å; L123-I160 WeakPolarHBondContact CA-O 3.26Å; C124-I160 HydrophobicContact CB-CD1 4.45Å; C124-I160 HydrophobicContact CB-CG1 4Å; C124-I160 PolarHBondContact N-O 3.44Å; C124-I160 WeakPolarHBondContact O-CG1 3.49Å; C124-I160 PolarHBondContact O-N 2.85Å; V126-I160 HydrophobicContact CG2-CG1 4.34Å; V126-I160 HydrophobicContact CG2-CG2 3.92Å; L139-I160 HydrophobicContact CD1-CD1 3.89Å; L139-I160 HydrophobicContact CD2-CD1 4.18Å; T141-I160 HydrophobicContact CG2-CD1 3.83Å; T141-I160 HydrophobicContact CG2-CG1 4.46Å; I147-I160 HydrophobicContact CD1-CD1 3.79Å; I154-I160 HydrophobicContact CD1-CG2 3.89Å; I154-I160 HydrophobicContact CG1-CG2 4.46Å; I154-I160 HydrophobicContact CG2-CG2 4.14Å; I160-I162 HydrophobicContact CD1-CD1 3.82Å; I160-I162 HydrophobicContact CD1-CG1 3.81Å; I160-I162 HydrophobicContact CG1-CD1 4.38Å; I160-I162 HydrophobicContact CG1-CG1 4.2Å; I160-I169 HydrophobicContact CB-CG2 4.03Å; I160-I169 HydrophobicContact CD1-CD1 3.73Å; I160-I169 HydrophobicContact CD1-CG1 3.87Å; I160-I169 HydrophobicContact CG2-CD1 4.31Å; I160-I169 HydrophobicContact CG2-CG2 4.21Å; I160-F172 HydrophobicContact CG2-CB 3.92Å
161	Q	97.7	Very high	96.5	Very high	36 Å²	36	57.5 Å²	57.5	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.4	166.6	-174.4	176.8	0.1	0	0	108.6	Y121 L123 I169 T170 D171 W235	Y121-Q161 HydrophobicContact CD2-CG 3.79Å; Y121-Q161 HydrophobicContact CG-CG 4.14Å; L123-Q161 HydrophobicContact CD2-CB 3.87Å; L123-Q161 HydrophobicContact CD2-CG 4.09Å; Q161-I169 WeakPolarHBondContact O-CA 3.27Å; Q161-T170 WeakPolarHBondContact CG-OG1 3.22Å; Q161-T170 PolarHBondContact O-N 3.4Å; Q161-T170 PolarHBondContact O-OG1 2.91Å; Q161-D171 PolarHBondContact N-O 2.8Å; Q161-W235 HydrophobicContact CB-CE3 4.19Å; Q161-W235 HydrophobicContact CB-CZ3 3.92Å
162	I	97.4	Very high	96.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.2	179.6	-61.9	172	0	0	0	108.1	Y121 K122 C124 T141 I147 I160 K168	Y121-I162 VanDerWaalsContact CA-O 3.24Å; Y121-I162 WeakPolarHBondContact CA-O 3.42Å; Y121-I162 WeakPolarHBondContact CB-O 3.39Å; K122-I162 PolarHBondContact N-O 2.79Å; K122-I162 PolarHBondContact O-N 3.49Å; C124-I162 HydrophobicContact CB-CD1 3.73Å; T141-I162 HydrophobicContact CG2-CD1 4.3Å; I147-I162 HydrophobicContact CD1-CD1 3.7Å; I147-I162 HydrophobicContact CD1-CG1 4.05Å; I160-I162 HydrophobicContact CD1-CD1 3.82Å; I160-I162 HydrophobicContact CD1-CG1 3.81Å; I160-I162 HydrophobicContact CG1-CD1 4.38Å; I160-I162 HydrophobicContact CG1-CG1 4.2Å; I162-K168 WeakPolarHBondContact CA-O 3.32Å
163	D	96.9	Very high	96.6	Very high	35 Å²	35	50.4 Å²	50.4	19%	0.187	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122	162.6	168.6	16.3	0	0	0	109	E165 T166 G167 K168 T170	D163-E165 VanDerWaalsContact C-N 3.3Å; D163-E165 PolarHBondContact O-N 2.67Å; D163-E165 PolarHBondContact OD1-N 3.26Å; D163-T166 WeakPolarHBondContact OD2-CB 3.17Å; D163-T166 VanDerWaalsContact OD2-CG2 3.26Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.39Å; D163-T166 PolarHBondContact OD2-OG1 2.96Å; D163-G167 WeakPolarHBondContact O-CA 3.44Å; D163-G167 PolarHBondContact O-N 3.27Å; D163-K168 PolarHBondContact N-O 2.97Å; D163-T170 HydrophobicContact CB-CG2 3.92Å
164	L	95.4	Very high	96.6	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.099	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.6	-174.2	-73.8	176.8	0	0	0	113.4	D73 V89 A119 K120 K122	D73-L164 HydrophobicContact CB-CD2 3.75Å; V89-L164 HydrophobicContact CB-CD1 4.01Å; V89-L164 HydrophobicContact CG2-CD1 4.02Å; A119-L164 WeakPolarHBondContact O-CD1 3.5Å; K120-L164 WeakPolarHBondContact O-CB 3.4Å; K120-L164 PolarHBondContact O-N 2.86Å; K122-L164 HydrophobicContact CB-CD2 4.49Å; K122-L164 HydrophobicContact CD-CD2 3.66Å; K122-L164 HydrophobicContact CG-CD2 3.78Å; K122-L164 HydrophobicContact CG-CG 4.38Å
165	E	94.5	Very high	96.5	Very high	158 Å²	158	51.9 Å²	51.9	74%	0.738	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-53.2	179.3	-65.8	-176.6	-178.8	0	0	110.8	D163	D163-E165 VanDerWaalsContact C-N 3.3Å; D163-E165 PolarHBondContact O-N 2.67Å; D163-E165 PolarHBondContact OD1-N 3.26Å
166	T	94.7	Very high	96.4	Very high	81 Å²	81	50.9 Å²	50.9	50%	0.497	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-22.3	-176.5	64	0	0	0	0	113.4	D163 K168	D163-T166 WeakPolarHBondContact OD2-CB 3.17Å; D163-T166 VanDerWaalsContact OD2-CG2 3.26Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.39Å; D163-T166 PolarHBondContact OD2-OG1 2.96Å; T166-K168 PolarHBondContact O-N 2.79Å; T166-K168 PolarHBondContact OG1-N 2.82Å
167	G	93.4	Very high	96.3	Very high	30 Å²	30	51.6 Å²	51.6	31%	0.309	27%	0.271	S	S	.	.			trans	70.2	10.1	-171.4	0	0	0	0	0	113.9	D163	D163-G167 WeakPolarHBondContact O-CA 3.44Å; D163-G167 PolarHBondContact O-N 3.27Å
168	K	95.6	Very high	96.2	Very high	148 Å²	148	51.7 Å²	51.7	64%	0.643	28%	0.279	S	S	*	.			trans	-86	154.9	178.6	-64.5	-178.5	-179.3	178.7	0	110.9	I162 D163 T166	I162-K168 WeakPolarHBondContact CA-O 3.32Å; D163-K168 PolarHBondContact N-O 2.97Å; T166-K168 PolarHBondContact O-N 2.79Å; T166-K168 PolarHBondContact OG1-N 2.82Å
169	I	96.9	Very high	96.2	Very high	44 Å²	44	52.6 Å²	52.6	23%	0.226	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.5	174.7	-57.9	172.9	0	0	0	107.9	L139 I147 P150 I154 I160 Q161	L139-I169 HydrophobicContact CD2-CD1 3.78Å; I147-I169 HydrophobicContact CB-CD1 4.43Å; I147-I169 HydrophobicContact CD1-CD1 4.06Å; I147-I169 HydrophobicContact CD1-CG1 3.82Å; I147-I169 HydrophobicContact CG2-CD1 3.92Å; I147-I169 HydrophobicContact CG2-CG1 4.15Å; P150-I169 HydrophobicContact CB-CD1 4.32Å; I154-I169 HydrophobicContact CD1-CD1 4.28Å; I160-I169 HydrophobicContact CB-CG2 4.03Å; I160-I169 HydrophobicContact CD1-CD1 3.73Å; I160-I169 HydrophobicContact CD1-CG1 3.87Å; I160-I169 HydrophobicContact CG2-CD1 4.31Å; I160-I169 HydrophobicContact CG2-CG2 4.21Å; Q161-I169 WeakPolarHBondContact O-CA 3.27Å
170	T	96.3	Very high	96.2	Very high	87 Å²	87	53.3 Å²	53.3	53%	0.534	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-43	179.1	55.8	0	0	0	0	112.4	Q161 D163	Q161-T170 WeakPolarHBondContact CG-OG1 3.22Å; Q161-T170 PolarHBondContact O-N 3.4Å; Q161-T170 PolarHBondContact O-OG1 2.91Å; D163-T170 HydrophobicContact CB-CG2 3.92Å
171	D	96.8	Very high	96.2	Very high	64 Å²	64	53.3 Å²	53.3	34%	0.342	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	169.8	177.3	-162.8	-3.5	0	0	0	109.2	Q161 K230 W235	Q161-D171 PolarHBondContact N-O 2.8Å; D171-K230 IonicContact OD1-NZ 3.61Å; D171-K230 IonicContact OD2-NZ 3.41Å; D171-W235 HydrophobicContact CB-CH2 3.6Å; D171-W235 HydrophobicContact CB-CZ3 3.92Å; D171-W235 WeakPolarHBondContact OD2-CH2 3.42Å; D171-W235 WeakPolarHBondContact OD2-CZ2 3.43Å
172	F	97.4	Very high	96.2	Very high	34 Å²	34	51.6 Å²	51.6	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157	176.7	68.8	-84.2	0	0	0	112.8	D151 L153 I154 T159 I160 K174 W235	D151-F172 HydrophobicContact CB-CE1 4.41Å; L153-F172 HydrophobicContact CB-CE2 4.24Å; L153-F172 HydrophobicContact CB-CZ 3.74Å; L153-F172 HydrophobicContact CD1-CZ 4.31Å; I154-F172 HydrophobicContact CD1-CB 4.35Å; I154-F172 HydrophobicContact CD1-CD1 4.17Å; I154-F172 HydrophobicContact CD1-CG 4.23Å; I154-F172 HydrophobicContact CG1-CB 4.14Å; I154-F172 HydrophobicContact CG1-CD1 3.87Å; I154-F172 HydrophobicContact CG1-CD2 3.86Å; I154-F172 HydrophobicContact CG1-CE1 4.21Å; I154-F172 HydrophobicContact CG1-CE2 4.2Å; I154-F172 HydrophobicContact CG1-CG 3.69Å; I154-F172 HydrophobicContact CG1-CZ 4.37Å; T159-F172 CarbonylContact O-C 3.58Å; T159-F172 VanDerWaalsContact O-CA 3.31Å; T159-F172 WeakPolarHBondContact O-CA 3.28Å; I160-F172 HydrophobicContact CG2-CB 3.92Å; F172-K174 HydrophobicContact CD2-CG 4.35Å; F172-K174 HydrophobicContact CE2-CG 3.99Å; F172-W235 WeakPolarHBondContact O-CH2 3.37Å
173	I	97.2	Very high	96.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	176.2	-49.3	162.6	0	0	0	108.1	D158 T159 V227 K230 W235	D158-I173 WeakPolarHBondContact CA-O 3.38Å; D158-I173 WeakPolarHBondContact CB-O 3.2Å; T159-I173 PolarHBondContact N-O 2.86Å; T159-I173 PolarHBondContact O-N 3.47Å; I173-V227 HydrophobicContact CB-CG1 4.07Å; I173-V227 HydrophobicContact CD1-CG1 4.46Å; I173-V227 HydrophobicContact CG2-CG1 3.49Å; I173-V227 VanDerWaalsContact CG2-CG1 3.49Å; I173-K230 HydrophobicContact CG1-CG 4.3Å; I173-K230 HydrophobicContact CG2-CG 3.95Å; I173-W235 HydrophobicContact CD1-CD2 3.45Å; I173-W235 VanDerWaalsContact CD1-CD2 3.45Å; I173-W235 HydrophobicContact CD1-CE3 3.58Å; I173-W235 HydrophobicContact CD1-CG 3.91Å; I173-W235 HydrophobicContact CD1-CH2 4.16Å; I173-W235 HydrophobicContact CD1-CZ2 4.09Å; I173-W235 HydrophobicContact CD1-CZ3 3.93Å; I173-W235 HydrophobicContact CG1-CD2 3.79Å; I173-W235 HydrophobicContact CG1-CE3 3.76Å; I173-W235 HydrophobicContact CG1-CH2 3.39Å; I173-W235 HydrophobicContact CG1-CZ2 3.46Å; I173-W235 VanDerWaalsContact CG1-CZ2 3.46Å; I173-W235 HydrophobicContact CG1-CZ3 3.56Å
174	K	96.8	Very high	96.2	Very high	104 Å²	104	51.2 Å²	51.2	45%	0.452	28%	0.278	S	S	.	.			trans	-67.3	140.1	173.8	-69.8	-171.1	175.8	178.7	0	111.1	D158 F172 D176 N179	D158-K174 WeakPolarHBondContact OD1-CA 2.99Å; F172-K174 HydrophobicContact CD2-CG 4.35Å; F172-K174 HydrophobicContact CE2-CG 3.99Å; K174-D176 PolarHBondContact O-N 2.97Å; K174-D176 VanDerWaalsContact O-N 3.08Å; K174-N179 PolarHBondContact O-ND2 3.3Å
175	F	96.2	Very high	96.2	Very high	26 Å²	26	50.8 Å²	50.8	11%	0.114	28%	0.279	C	S	.	.			trans	-76.2	93.7	168.6	174.6	-105	0	0	0	109.2	N157 D158 I195 V208 L222 I225 V227	N157-F175 HydrophobicContact CB-CB 4.18Å; N157-F175 HydrophobicContact CB-CD1 4.21Å; N157-F175 HydrophobicContact CB-CG 4.11Å; D158-F175 PolarHBondContact OD1-N 2.98Å; F175-I195 HydrophobicContact CD2-CD1 3.79Å; F175-I195 HydrophobicContact CE2-CD1 3.55Å; F175-I195 HydrophobicContact CE2-CG1 4.5Å; F175-V208 HydrophobicContact CZ-CG1 4.35Å; F175-V208 HydrophobicContact CZ-CG2 3.88Å; F175-L222 HydrophobicContact CD1-CD1 4.15Å; F175-L222 HydrophobicContact CE1-CD1 3.35Å; F175-L222 HydrophobicContact CE2-CD1 3.89Å; F175-L222 HydrophobicContact CZ-CD1 3.21Å; F175-I225 HydrophobicContact CD2-CG2 4.36Å; F175-I225 HydrophobicContact CE2-CG2 3.89Å; F175-V227 HydrophobicContact CB-CG2 4.22Å; F175-V227 HydrophobicContact CD2-CG2 3.67Å; F175-V227 HydrophobicContact CG-CG2 4.44Å
176	D	94	Very high	96.3	Very high	101 Å²	101	46 Å²	46	54%	0.54	27%	0.272	S	S	.	.			trans	-142.2	166.7	-179.8	-155.2	-2.8	0	0	0	110.8	K174 N179	K174-D176 PolarHBondContact O-N 2.97Å; K174-D176 VanDerWaalsContact O-N 3.08Å; D176-N179 PolarHBondContact O-N 3.08Å
177	T	95	Very high	96.4	Very high	80 Å²	80	46.9 Å²	46.9	49%	0.491	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	141.5	174.9	-52.7	0	0	0	0	110.2	I195 T196	T177-I195 WeakPolarHBondContact CG2-O 3.27Å; T177-T196 WeakPolarHBondContact CG2-O 3.3Å
178	G	95.7	Very high	96.5	Very high	31 Å²	31	46.5 Å²	46.5	32%	0.32	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-9.9	-179.1	0	0	0	0	0	114.7	V194 I195 G231	G178-V194 VanDerWaalsContact C-CG1 3.48Å; G178-V194 WeakPolarHBondContact O-CG1 3.28Å; G178-I195 PolarHBondContact N-O 2.51Å; G178-G231 WeakPolarHBondContact O-CA 3.35Å
179	N	97.2	Very high	96.6	Very high	26 Å²	26	41 Å²	41	14%	0.139	26%	0.255	C	S	.	.			trans	-86.9	149.2	177.1	-73	-26.4	0	0	0	113.1	K174 D176 I195 V227 G229 K230 G231	K174-N179 PolarHBondContact O-ND2 3.3Å; D176-N179 PolarHBondContact O-N 3.08Å; N179-I195 PolarHBondContact O-N 2.9Å; N179-V227 HydrophobicContact CB-CG1 3.92Å; N179-G229 WeakPolarHBondContact CB-O 3.48Å; N179-K230 WeakPolarHBondContact OD1-CA 3.48Å; N179-G231 PolarHBondContact OD1-N 3.08Å
180	L	97.2	Very high	96.6	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.4	179.6	-162.4	70.3	0	0	0	110.3	I192 V194 V227 I228 G229 G231 P234	L180-I192 HydrophobicContact CD1-CG2 3.75Å; L180-I192 HydrophobicContact CD2-CG2 4.04Å; L180-I192 HydrophobicContact CG-CG2 3.81Å; L180-V194 HydrophobicContact CD1-CG2 4.13Å; L180-V227 CarbonylContact O-C 3.43Å; L180-V227 WeakPolarHBondContact O-CA 3.43Å; L180-V227 WeakPolarHBondContact O-CG1 3.39Å; L180-I228 HydrophobicContact CB-CG1 4.22Å; L180-I228 HydrophobicContact CD2-CD1 3.85Å; L180-I228 HydrophobicContact CD2-CG1 4Å; L180-I228 HydrophobicContact CG-CD1 4.13Å; L180-I228 HydrophobicContact CG-CG1 3.99Å; L180-I228 PolarHBondContact O-N 2.76Å; L180-G229 PolarHBondContact N-O 2.85Å; L180-G229 VanDerWaalsContact N-O 3.15Å; L180-G229 PolarHBondContact O-N 3.13Å; L180-G231 WeakPolarHBondContact CB-O 3.43Å; L180-G231 PolarHBondContact N-O 3.37Å; L180-P234 HydrophobicContact CD2-CB 3.79Å; L180-P234 HydrophobicContact CD2-CG 4.4Å
181	C	97.4	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.4	177.7	73.3	0	0	0	0	112.7	I192 G193 I195 I225 F226	C181-I192 VanDerWaalsContact O-CA 3.27Å; C181-I192 WeakPolarHBondContact O-CA 3.19Å; C181-I192 WeakPolarHBondContact O-CG2 3.33Å; C181-G193 PolarHBondContact N-O 3.36Å; C181-G193 PolarHBondContact O-N 3.13Å; C181-G193 PolarHBondContact SG-O 3.47Å; C181-I195 HydrophobicContact CB-CD1 4.02Å; C181-I195 HydrophobicContact CB-CG1 3.99Å; C181-I225 HydrophobicContact CB-CG2 3.8Å; C181-F226 CarbonylContact C-O 3.58Å; C181-F226 WeakPolarHBondContact CA-O 3.49Å; C181-F226 WeakPolarHBondContact CB-O 3.26Å
182	M	97.7	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.8	165.8	179.5	173.1	-78.3	0	0	109.4	F86 I102 R191 I192 F226 I228	F86-M182 HydrophobicContact CE2-SD 3.45Å; F86-M182 WeakPolarHBondContact CE2-SD 3.24Å; F86-M182 HydrophobicContact CZ-CB 4.46Å; F86-M182 HydrophobicContact CZ-CG 4.26Å; F86-M182 HydrophobicContact CZ-SD 3.58Å; F86-M182 VanDerWaalsContact CZ-SD 3.58Å; I102-M182 HydrophobicContact CG2-CE 3.5Å; I102-M182 HydrophobicContact CG2-SD 3.68Å; M182-R191 WeakPolarHBondContact CA-O 3.07Å; M182-I192 HydrophobicContact CB-CG1 4.17Å; M182-I192 HydrophobicContact CE-CD1 3.36Å; M182-I192 HydrophobicContact CE-CG1 3.42Å; M182-I192 VanDerWaalsContact CE-CG1 3.42Å; M182-I192 HydrophobicContact CG-CG1 4.25Å; M182-F226 PolarHBondContact N-O 3.06Å; M182-F226 PolarHBondContact O-N 2.98Å; M182-I228 HydrophobicContact CB-CD1 4.25Å; M182-I228 HydrophobicContact CB-CG2 4.11Å
183	V	97.9	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.8	173	-178.9	0	0	0	0	110.3	G185 N188 G190 R191 F218 T220 N224	V183-G185 WeakPolarHBondContact CG1-O 3.4Å; V183-N188 VanDerWaalsContact CB-O 3.26Å; V183-N188 WeakPolarHBondContact CB-O 3.38Å; V183-N188 HydrophobicContact CG1-CB 4.18Å; V183-N188 WeakPolarHBondContact CG1-O 3.16Å; V183-N188 HydrophobicContact CG2-CB 4.28Å; V183-G190 PolarHBondContact O-N 3.08Å; V183-R191 PolarHBondContact N-O 3.02Å; V183-F218 HydrophobicContact CG2-CE2 3.66Å; V183-F218 HydrophobicContact CG2-CZ 4.31Å; V183-T220 HydrophobicContact CG1-CG2 3.89Å; V183-T220 HydrophobicContact CG2-CG2 3.98Å; V183-N224 CarbonylContact C-O 3.59Å; V183-N224 VanDerWaalsContact CA-O 3.31Å; V183-N224 WeakPolarHBondContact CA-O 3.35Å; V183-N224 HydrophobicContact CG1-CB 4.4Å
184	T	97.3	Very high	96.6	Very high	28 Å²	28	32.8 Å²	32.8	17%	0.172	21%	0.21	C	C	.	.			trans	-105.3	0.1	-177.4	59.5	0	0	0	0	114.2	F86 Y103 L189 N224 F226	F86-T184 HydrophobicContact CD1-CG2 3.68Å; F86-T184 HydrophobicContact CE1-CG2 3.51Å; F86-T184 HydrophobicContact CE2-CG2 4.42Å; F86-T184 HydrophobicContact CG-CG2 4.22Å; F86-T184 HydrophobicContact CZ-CG2 3.92Å; Y103-T184 HydrophobicContact CE2-CG2 4.46Å; T184-L189 WeakPolarHBondContact O-CD1 3.5Å; T184-N224 PolarHBondContact N-O 3.37Å; T184-N224 PolarHBondContact OG1-O 3.43Å; T184-F226 HydrophobicContact CG2-CB 3.63Å; T184-F226 HydrophobicContact CG2-CD2 4.34Å; T184-F226 HydrophobicContact CG2-CG 4.34Å
185	G	96.1	Very high	96.7	Very high	11 Å²	11	27.9 Å²	27.9	11%	0.113	19%	0.189	C	C	.	.	S	Bend	trans	-162.7	164.9	178.2	0	0	0	0	0	114.4	V183 N224	V183-G185 WeakPolarHBondContact CG1-O 3.4Å; G185-N224 VanDerWaalsContact C-ND2 3.27Å; G185-N224 PolarHBondContact O-ND2 3.25Å; G185-N224 VanDerWaalsContact O-ND2 3.1Å
186	G	95.8	Very high	96.7	Very high	58 Å²	58	29.5 Å²	29.5	60%	0.598	20%	0.201	S	C	*	.	S	Bend	trans	79.3	-163	179.4	0	0	0	0	0	113.8	N188 L189	G186-N188 VanDerWaalsContact C-N 3.28Å; G186-N188 PolarHBondContact O-N 2.67Å; G186-L189 WeakPolarHBondContact O-CB 3.29Å; G186-L189 PolarHBondContact O-N 2.81Å
187	A	95.9	Very high	96.8	Very high	98 Å²	98	28.8 Å²	28.8	81%	0.81	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.3	-172.7	0	0	0	0	0	114.2
188	N	96.8	Very high	96.8	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.118	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	14.8	-179.5	-72.1	-50	0	0	0	113.3	V183 G186 G190 R191 F218 A219 T220 R245	V183-N188 VanDerWaalsContact CB-O 3.26Å; V183-N188 WeakPolarHBondContact CB-O 3.38Å; V183-N188 HydrophobicContact CG1-CB 4.18Å; V183-N188 WeakPolarHBondContact CG1-O 3.16Å; V183-N188 HydrophobicContact CG2-CB 4.28Å; G186-N188 VanDerWaalsContact C-N 3.28Å; G186-N188 PolarHBondContact O-N 2.67Å; N188-G190 PolarHBondContact O-N 2.74Å; N188-R191 WeakPolarHBondContact O-CB 3.38Å; N188-R191 WeakPolarHBondContact O-CG 3.38Å; N188-R191 PolarHBondContact O-N 3.3Å; N188-R191 VanDerWaalsContact O-N 3.09Å; N188-R191 WeakPolarHBondContact OD1-CD 3.3Å; N188-R191 PolarHBondContact OD1-NH1 3.28Å; N188-F218 HydrophobicContact CB-CD2 3.84Å; N188-F218 HydrophobicContact CB-CE2 4.03Å; N188-F218 WeakPolarHBondContact ND2-CD2 3.47Å; N188-A219 PolarHBondContact ND2-O 3.47Å; N188-T220 HydrophobicContact CB-CG2 3.84Å; N188-R245 PolarHBondContact OD1-NH2 2.79Å
189	L	97	Very high	96.8	Very high	32 Å²	32	30.8 Å²	30.8	17%	0.168	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	129.8	-179	179.1	64.6	0	0	0	112.5	Y103 G107 T184 G186 R191	Y103-L189 HydrophobicContact CD1-CD1 4.02Å; Y103-L189 HydrophobicContact CD1-CD2 4.29Å; Y103-L189 HydrophobicContact CD1-CG 4.26Å; Y103-L189 HydrophobicContact CD2-CD1 3.64Å; Y103-L189 HydrophobicContact CE1-CD1 4.15Å; Y103-L189 HydrophobicContact CE1-CD2 4.38Å; Y103-L189 HydrophobicContact CE2-CD1 3.77Å; Y103-L189 HydrophobicContact CG-CD1 3.78Å; Y103-L189 HydrophobicContact CG-CG 4.22Å; G107-L189 VanDerWaalsContact CA-CD2 3.44Å; G107-L189 WeakPolarHBondContact O-CD2 3.44Å; T184-L189 WeakPolarHBondContact O-CD1 3.5Å; G186-L189 WeakPolarHBondContact O-CB 3.29Å; G186-L189 PolarHBondContact O-N 2.81Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-R191 PolarHBondContact O-N 2.86Å
190	G	96.5	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-0.6	178.5	0	0	0	0	0	115.5	D104 V183 N188	D104-G190 WeakPolarHBondContact O-CA 3.48Å; V183-G190 PolarHBondContact O-N 3.08Å; N188-G190 PolarHBondContact O-N 2.74Å
191	R	97.4	Very high	96.7	Very high	17 Å²	17	41.1 Å²	41.1	6%	0.064	23%	0.229	C	C	.	.			trans	-72.3	145.6	169	-64.7	-176.6	81.3	171.9	1	110.9	M182 V183 N188 L189 D212 F218 G243 R245	M182-R191 WeakPolarHBondContact CA-O 3.07Å; V183-R191 PolarHBondContact N-O 3.02Å; N188-R191 WeakPolarHBondContact O-CB 3.38Å; N188-R191 WeakPolarHBondContact O-CG 3.38Å; N188-R191 PolarHBondContact O-N 3.3Å; N188-R191 VanDerWaalsContact O-N 3.09Å; N188-R191 WeakPolarHBondContact OD1-CD 3.3Å; N188-R191 PolarHBondContact OD1-NH1 3.28Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-R191 PolarHBondContact O-N 2.86Å; R191-D212 IonicContact CZ-OD2 3.27Å; R191-D212 IonicContact NH2-OD2 3.76Å; R191-D212 PolarHBondContact NH2-OD2 2.89Å; R191-F218 HydrophobicContact CB-CE1 4.25Å; R191-F218 HydrophobicContact CB-CE2 4.3Å; R191-F218 HydrophobicContact CB-CZ 3.73Å; R191-F218 VanDerWaalsContact CZ-CE1 3.48Å; R191-F218 VanDerWaalsContact NH1-CD1 3.26Å; R191-G243 VanDerWaalsContact CA-O 3.29Å; R191-G243 WeakPolarHBondContact CA-O 3.33Å; R191-R245 HydrophobicContact CG-CB 3.98Å
192	I	97.3	Very high	96.5	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139	174.4	-61	174.6	0	0	0	109	L180 C181 M182 D212 I228 L238 G243	L180-I192 HydrophobicContact CD1-CG2 3.75Å; L180-I192 HydrophobicContact CD2-CG2 4.04Å; L180-I192 HydrophobicContact CG-CG2 3.81Å; C181-I192 VanDerWaalsContact O-CA 3.27Å; C181-I192 WeakPolarHBondContact O-CA 3.19Å; C181-I192 WeakPolarHBondContact O-CG2 3.33Å; M182-I192 HydrophobicContact CB-CG1 4.17Å; M182-I192 HydrophobicContact CE-CD1 3.36Å; M182-I192 HydrophobicContact CE-CG1 3.42Å; M182-I192 VanDerWaalsContact CE-CG1 3.42Å; M182-I192 HydrophobicContact CG-CG1 4.25Å; I192-D212 WeakPolarHBondContact O-CB 3.43Å; I192-I228 HydrophobicContact CD1-CD1 4.17Å; I192-I228 HydrophobicContact CG1-CD1 4.37Å; I192-I228 HydrophobicContact CG2-CD1 4.05Å; I192-L238 HydrophobicContact CD1-CD1 3.82Å; I192-L238 HydrophobicContact CD1-CD2 3.56Å; I192-L238 HydrophobicContact CD1-CG 4.16Å; I192-G243 PolarHBondContact N-O 3.11Å; I192-G243 VanDerWaalsContact N-O 3.08Å
193	G	97	Very high	96.3	Very high	2 Å²	2	52 Å²	52	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	176.1	173.8	0	0	0	0	0	112.2	C181 K211	C181-G193 PolarHBondContact N-O 3.36Å; C181-G193 PolarHBondContact O-N 3.13Å; C181-G193 PolarHBondContact SG-O 3.47Å; G193-K211 CarbonylContact C-O 3.46Å; G193-K211 WeakPolarHBondContact CA-O 3.41Å
194	V	97.5	Very high	96.1	Very high	30 Å²	30	55.9 Å²	55.9	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.7	178.8	179.5	0	0	0	0	109.4	G178 L180 T196 V210 K211 N232	G178-V194 VanDerWaalsContact C-CG1 3.48Å; G178-V194 WeakPolarHBondContact O-CG1 3.28Å; L180-V194 HydrophobicContact CD1-CG2 4.13Å; V194-T196 PolarHBondContact O-N 3.09Å; V194-V210 WeakPolarHBondContact O-CA 3.43Å; V194-K211 PolarHBondContact N-O 2.69Å; V194-K211 PolarHBondContact O-N 3Å; V194-N232 VanDerWaalsContact CG2-OD1 3.23Å; V194-N232 WeakPolarHBondContact CG2-OD1 3.33Å
195	I	97.3	Very high	96	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.1	173.4	-62.6	160.5	0	0	0	108.3	F175 T177 G178 N179 C181 V208 I225 V227	F175-I195 HydrophobicContact CD2-CD1 3.79Å; F175-I195 HydrophobicContact CE2-CD1 3.55Å; F175-I195 HydrophobicContact CE2-CG1 4.5Å; T177-I195 WeakPolarHBondContact CG2-O 3.27Å; G178-I195 PolarHBondContact N-O 2.51Å; N179-I195 PolarHBondContact O-N 2.9Å; C181-I195 HydrophobicContact CB-CD1 4.02Å; C181-I195 HydrophobicContact CB-CG1 3.99Å; I195-V208 HydrophobicContact CG1-CG1 4.42Å; I195-V208 HydrophobicContact CG2-CG1 3.72Å; I195-I225 HydrophobicContact CD1-CG2 4.3Å; I195-V227 HydrophobicContact CD1-CG2 4.1Å
196	T	96.6	Very high	96	Very high	60 Å²	60	61.1 Å²	61.1	37%	0.368	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-39.1	-177.5	53.3	0	0	0	0	112.7	T177 V194 H209 K211	T177-T196 WeakPolarHBondContact CG2-O 3.3Å; V194-T196 PolarHBondContact O-N 3.09Å; T196-H209 PolarHBondContact N-O 3.15Å; T196-H209 WeakPolarHBondContact OG1-CB 3.47Å; T196-H209 PolarHBondContact OG1-O 3.04Å; T196-K211 HydrophobicContact CG2-CB 3.64Å
197	N	95.9	Very high	96	Very high	86 Å²	86	60.1 Å²	60.1	46%	0.46	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152.7	-179.4	-169.3	11.1	0	0	0	110.5	V208 H209	N197-V208 WeakPolarHBondContact O-CA 3.32Å; N197-V208 WeakPolarHBondContact O-CG1 3.19Å; N197-H209 HydrophobicContact CB-CB 4.25Å; N197-H209 PolarHBondContact O-N 3.3Å
198	R	95.6	Very high	96.1	Very high	78 Å²	78	55.4 Å²	55.4	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	115.5	172.1	175.1	-170.2	-179.6	178.8	-5.5	109.2	R200 D206 V208	R198-R200 HydrophobicContact CG-CG 4.37Å; R198-D206 IonicContact CZ-OD2 3.66Å; R198-D206 IonicContact NE-OD2 3.71Å; R198-D206 PolarHBondContact NE-OD2 3.28Å; R198-D206 IonicContact NH2-OD2 3.71Å; R198-D206 PolarHBondContact NH2-OD2 3.13Å; R198-V208 HydrophobicContact CB-CG2 4.49Å; R198-V208 HydrophobicContact CG-CG2 4.23Å
199	E	95.9	Very high	96.2	Very high	75 Å²	75	57 Å²	57	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.7	169.2	-68.7	174.1	-173.4	0	0	109.3	H201 D206 V207 H209	E199-H201 IonicContact OE2-NE2 2.81Å; E199-D206 WeakPolarHBondContact O-CA 3.38Å; E199-V207 HydrophobicContact CB-CB 4.34Å; E199-V207 PolarHBondContact N-O 2.71Å; E199-V207 PolarHBondContact O-N 2.98Å; E199-H209 IonicContact OE1-CD2 2.72Å; E199-H209 IonicContact OE1-CE1 3.64Å; E199-H209 IonicContact OE1-NE2 2.78Å; E199-H209 PolarHBondContact OE1-NE2 3.39Å; E199-H209 IonicContact OE2-NE2 3.82Å
200	R	95.5	Very high	96.2	Very high	182 Å²	182	55.5 Å²	55.5	69%	0.687	31%	0.305	S	S	*	.			trans	-94.4	128.6	178.1	-64.1	-174.7	-175.9	-172.4	2.4	109.2	R198 D206	R198-R200 HydrophobicContact CG-CG 4.37Å; R200-D206 WeakPolarHBondContact CA-OD1 3.32Å
201	H	96.5	Very high	96.2	Very high	75 Å²	75	60.4 Å²	60.4	35%	0.347	33%	0.326	S	S	.	.			trans	-123.2	91.5	176.7	-61.6	-71.4	0	0	0	109	E199 G203 S204 F205 D206	E199-H201 IonicContact OE2-NE2 2.81Å; H201-G203 PolarHBondContact O-N 3.02Å; H201-S204 CarbonylContact O-C 3.49Å; H201-S204 PolarHBondContact O-N 3.48Å; H201-F205 PolarHBondContact CD2-O 3.21Å; H201-D206 PolarHBondContact N-OD1 3.32Å
202	P	93.8	Very high	96.2	Very high	132 Å²	132	59.9 Å²	59.9	86%	0.857	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.9	179	-26.1	35	0	0	0	111.7	S204	P202-S204 PolarHBondContact O-N 2.93Å
203	G	93.3	Very high	96	Very high	96 Å²	96	63.9 Å²	63.9	99%	0.99	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-4.8	-177.3	0	0	0	0	0	115.5	H201	H201-G203 PolarHBondContact O-N 3.02Å
204	S	94	Very high	95.8	Very high	81 Å²	81	68.2 Å²	68.2	57%	0.566	38%	0.382	S	S	*	.	S	Bend	trans	-130.9	-167.6	-179.9	-166.6	0	0	0	0	111.5	H201 P202	H201-S204 CarbonylContact O-C 3.49Å; H201-S204 PolarHBondContact O-N 3.48Å; P202-S204 PolarHBondContact O-N 2.93Å
205	F	93.7	Very high	95.6	Very high	120 Å²	120	68.4 Å²	68.4	53%	0.526	39%	0.39	S	S	.	.			trans	-83.9	117.4	-179.4	-56.5	-71	0	0	0	111	H201 R221	H201-F205 PolarHBondContact CD2-O 3.21Å; F205-R221 HydrophobicContact CB-CG 4.25Å
206	D	96	Very high	95.6	Very high	29 Å²	29	72 Å²	72	16%	0.155	41%	0.409	C	S	.	.			trans	-58.1	137.6	167.4	-72.4	-3.8	0	0	0	111.4	R198 E199 R200 H201 R221 L222	R198-D206 IonicContact CZ-OD2 3.66Å; R198-D206 IonicContact NE-OD2 3.71Å; R198-D206 PolarHBondContact NE-OD2 3.28Å; R198-D206 IonicContact NH2-OD2 3.71Å; R198-D206 PolarHBondContact NH2-OD2 3.13Å; E199-D206 WeakPolarHBondContact O-CA 3.38Å; R200-D206 WeakPolarHBondContact CA-OD1 3.32Å; H201-D206 PolarHBondContact N-OD1 3.32Å; D206-R221 WeakPolarHBondContact O-CA 3.42Å; D206-L222 HydrophobicContact CB-CB 3.94Å; D206-L222 HydrophobicContact CB-CD2 4.02Å; D206-L222 PolarHBondContact O-N 3.01Å
207	V	97.2	Very high	95.6	Very high	37 Å²	37	73.4 Å²	73.4	22%	0.224	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.5	179.3	-179.9	0	0	0	0	108.8	E199 A219	E199-V207 HydrophobicContact CB-CB 4.34Å; E199-V207 PolarHBondContact N-O 2.71Å; E199-V207 PolarHBondContact O-N 2.98Å; V207-A219 HydrophobicContact CG1-CB 3.85Å
208	V	97.7	Very high	95.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.7	-179	-176.3	0	0	0	0	109.1	F175 I195 N197 R198 V210 A219 T220 L222 I225	F175-V208 HydrophobicContact CZ-CG1 4.35Å; F175-V208 HydrophobicContact CZ-CG2 3.88Å; I195-V208 HydrophobicContact CG1-CG1 4.42Å; I195-V208 HydrophobicContact CG2-CG1 3.72Å; N197-V208 WeakPolarHBondContact O-CA 3.32Å; N197-V208 WeakPolarHBondContact O-CG1 3.19Å; R198-V208 HydrophobicContact CB-CG2 4.49Å; R198-V208 HydrophobicContact CG-CG2 4.23Å; V208-V210 HydrophobicContact CG1-CG2 4.45Å; V208-A219 WeakPolarHBondContact O-CA 3.34Å; V208-T220 PolarHBondContact N-O 2.87Å; V208-T220 PolarHBondContact O-N 3.35Å; V208-L222 HydrophobicContact CG2-CB 4.19Å; V208-L222 HydrophobicContact CG2-CD1 3.91Å; V208-I225 HydrophobicContact CB-CD1 3.29Å; V208-I225 HydrophobicContact CB-CG1 4.5Å; V208-I225 HydrophobicContact CG1-CD1 3.21Å; V208-I225 HydrophobicContact CG2-CD1 3.92Å
209	H	98.1	Very high	95.7	Very high	55 Å²	55	68.4 Å²	68.4	26%	0.255	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.3	177.9	-65.4	-76.6	0	0	0	110.3	T196 N197 E199	T196-H209 PolarHBondContact N-O 3.15Å; T196-H209 WeakPolarHBondContact OG1-CB 3.47Å; T196-H209 PolarHBondContact OG1-O 3.04Å; N197-H209 HydrophobicContact CB-CB 4.25Å; N197-H209 PolarHBondContact O-N 3.3Å; E199-H209 IonicContact OE1-CD2 2.72Å; E199-H209 IonicContact OE1-CE1 3.64Å; E199-H209 IonicContact OE1-NE2 2.78Å; E199-H209 PolarHBondContact OE1-NE2 3.39Å; E199-H209 IonicContact OE2-NE2 3.82Å
210	V	97.6	Very high	95.8	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.006	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.3	-175.1	-178.2	0	0	0	0	108.7	V194 V208 S217 F218 I225	V194-V210 WeakPolarHBondContact O-CA 3.43Å; V208-V210 HydrophobicContact CG1-CG2 4.45Å; V210-S217 CarbonylContact O-C 3.55Å; V210-S217 WeakPolarHBondContact O-CA 3.3Å; V210-F218 HydrophobicContact CB-CD2 4.22Å; V210-F218 HydrophobicContact CB-CE1 4.25Å; V210-F218 HydrophobicContact CB-CE2 3.7Å; V210-F218 HydrophobicContact CB-CZ 3.74Å; V210-F218 HydrophobicContact CG1-CE1 4.03Å; V210-F218 HydrophobicContact CG1-CE2 3.94Å; V210-F218 HydrophobicContact CG1-CZ 3.49Å; V210-F218 VanDerWaalsContact CG1-CZ 3.49Å; V210-F218 HydrophobicContact CG2-CE2 4.29Å; V210-F218 PolarHBondContact N-O 2.9Å; V210-F218 PolarHBondContact O-N 3.32Å; V210-I225 HydrophobicContact CG2-CD1 3.82Å
211	K	97.3	Very high	95.9	Very high	102 Å²	102	63 Å²	63	44%	0.443	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123	174.7	-173.2	174.4	-178.7	178.2	0	109.4	G193 V194 T196	G193-K211 CarbonylContact C-O 3.46Å; G193-K211 WeakPolarHBondContact CA-O 3.41Å; V194-K211 PolarHBondContact N-O 2.69Å; V194-K211 PolarHBondContact O-N 3Å; T196-K211 HydrophobicContact CG2-CB 3.64Å
212	D	95.6	Very high	95.9	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	37%	0.372	C	S	.	.			trans	-78.1	172.8	176	69.2	26	0	0	0	112.4	R191 I192 N214 G215 N216 F218	R191-D212 IonicContact CZ-OD2 3.27Å; R191-D212 IonicContact NH2-OD2 3.76Å; R191-D212 PolarHBondContact NH2-OD2 2.89Å; I192-D212 WeakPolarHBondContact O-CB 3.43Å; D212-N214 PolarHBondContact O-N 2.67Å; D212-N214 WeakPolarHBondContact OD1-CA 3.48Å; D212-N214 WeakPolarHBondContact OD1-CB 3.17Å; D212-N214 PolarHBondContact OD1-N 3.28Å; D212-G215 PolarHBondContact O-N 3.34Å; D212-G215 PolarHBondContact OD1-N 2.88Å; D212-G215 VanDerWaalsContact OD1-N 3.14Å; D212-N216 PolarHBondContact N-O 3.15Å; D212-N216 WeakPolarHBondContact OD1-CB 3.3Å; D212-N216 PolarHBondContact OD1-N 3.39Å; D212-N216 WeakPolarHBondContact OD2-CB 3.43Å; D212-N216 PolarHBondContact OD2-ND2 3.03Å; D212-F218 HydrophobicContact CB-CE1 4.31Å
213	A	93.9	Very high	96	Very high	92 Å²	92	57.6 Å²	57.6	76%	0.76	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.4	-178.9	0	0	0	0	0	113.8	G215 I244	A213-G215 VanDerWaalsContact C-N 3.28Å; A213-I244 HydrophobicContact CB-CD1 4.33Å
214	N	93.2	Very high	96.2	Very high	92 Å²	92	54.8 Å²	54.8	49%	0.492	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.5	174.2	-77.1	14.3	0	0	0	112.2	D212 N216 I244	D212-N214 PolarHBondContact O-N 2.67Å; D212-N214 WeakPolarHBondContact OD1-CA 3.48Å; D212-N214 WeakPolarHBondContact OD1-CB 3.17Å; D212-N214 PolarHBondContact OD1-N 3.28Å; N214-N216 VanDerWaalsContact C-N 3.33Å; N214-I244 WeakPolarHBondContact ND2-CG2 3.47Å
215	G	94.1	Very high	96.4	Very high	34 Å²	34	51 Å²	51	35%	0.351	29%	0.291	S	S	.	.	S	Bend	trans	85	-0.2	-179.5	0	0	0	0	0	114.7	D212 A213 S217	D212-G215 PolarHBondContact O-N 3.34Å; D212-G215 PolarHBondContact OD1-N 2.88Å; D212-G215 VanDerWaalsContact OD1-N 3.14Å; A213-G215 VanDerWaalsContact C-N 3.28Å; G215-S217 PolarHBondContact O-N 3.31Å
216	N	95.8	Very high	96.6	Very high	79 Å²	79	45.5 Å²	45.5	42%	0.422	27%	0.267	S	S	.	.			trans	-71.8	128.3	176.5	-55.2	-60.8	0	0	0	109.6	D212 N214	D212-N216 PolarHBondContact N-O 3.15Å; D212-N216 WeakPolarHBondContact OD1-CB 3.3Å; D212-N216 PolarHBondContact OD1-N 3.39Å; D212-N216 WeakPolarHBondContact OD2-CB 3.43Å; D212-N216 PolarHBondContact OD2-ND2 3.03Å; N214-N216 VanDerWaalsContact C-N 3.33Å
217	S	96.5	Very high	96.7	Very high	88 Å²	88	44.1 Å²	44.1	62%	0.615	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.9	177.7	-59.2	0	0	0	0	110.9	V210 G215	V210-S217 CarbonylContact O-C 3.55Å; V210-S217 WeakPolarHBondContact O-CA 3.3Å; G215-S217 PolarHBondContact O-N 3.31Å
218	F	97.4	Very high	96.7	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.2	175.8	59.5	-87.2	0	0	0	110.8	V183 N188 R191 V210 D212 T220	V183-F218 HydrophobicContact CG2-CE2 3.66Å; V183-F218 HydrophobicContact CG2-CZ 4.31Å; N188-F218 HydrophobicContact CB-CD2 3.84Å; N188-F218 HydrophobicContact CB-CE2 4.03Å; N188-F218 WeakPolarHBondContact ND2-CD2 3.47Å; R191-F218 HydrophobicContact CB-CE1 4.25Å; R191-F218 HydrophobicContact CB-CE2 4.3Å; R191-F218 HydrophobicContact CB-CZ 3.73Å; R191-F218 VanDerWaalsContact CZ-CE1 3.48Å; R191-F218 VanDerWaalsContact NH1-CD1 3.26Å; V210-F218 HydrophobicContact CB-CD2 4.22Å; V210-F218 HydrophobicContact CB-CE1 4.25Å; V210-F218 HydrophobicContact CB-CE2 3.7Å; V210-F218 HydrophobicContact CB-CZ 3.74Å; V210-F218 HydrophobicContact CG1-CE1 4.03Å; V210-F218 HydrophobicContact CG1-CE2 3.94Å; V210-F218 HydrophobicContact CG1-CZ 3.49Å; V210-F218 VanDerWaalsContact CG1-CZ 3.49Å; V210-F218 HydrophobicContact CG2-CE2 4.29Å; V210-F218 PolarHBondContact N-O 2.9Å; V210-F218 PolarHBondContact O-N 3.32Å; D212-F218 HydrophobicContact CB-CE1 4.31Å; F218-T220 HydrophobicContact CD2-CG2 4.29Å; F218-T220 HydrophobicContact CE2-CG2 4.47Å
219	A	97.5	Very high	96.6	Very high	42 Å²	42	42.3 Å²	42.3	35%	0.347	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.1	179.4	0	0	0	0	0	112.1	N188 V207 V208	N188-A219 PolarHBondContact ND2-O 3.47Å; V207-A219 HydrophobicContact CG1-CB 3.85Å; V208-A219 WeakPolarHBondContact O-CA 3.34Å
220	T	97.8	Very high	96.4	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.092	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.4	171	60.5	0	0	0	0	111	V183 N188 V208 F218 I225	V183-T220 HydrophobicContact CG1-CG2 3.89Å; V183-T220 HydrophobicContact CG2-CG2 3.98Å; N188-T220 HydrophobicContact CB-CG2 3.84Å; V208-T220 PolarHBondContact N-O 2.87Å; V208-T220 PolarHBondContact O-N 3.35Å; F218-T220 HydrophobicContact CD2-CG2 4.29Å; F218-T220 HydrophobicContact CE2-CG2 4.47Å; T220-I225 WeakPolarHBondContact OG1-CG1 3.49Å
221	R	97.2	Very high	96.2	Very high	128 Å²	128	45.9 Å²	45.9	48%	0.483	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	144.7	170.3	-65.1	-176.7	-176.6	-177.5	0.8	110.2	F205 D206 S223 N224	F205-R221 HydrophobicContact CB-CG 4.25Å; D206-R221 WeakPolarHBondContact O-CA 3.42Å; R221-S223 PolarHBondContact O-N 3.27Å; R221-N224 PolarHBondContact O-N 2.78Å
222	L	96.8	Very high	95.8	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.105	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-50.8	-34.5	177.4	178.4	63.1	0	0	0	113.7	K125 N157 F175 D206 V208 N224 I225	K125-L222 PolarHBondContact NZ-O 3.36Å; N157-L222 HydrophobicContact CB-CD1 4.5Å; F175-L222 HydrophobicContact CD1-CD1 4.15Å; F175-L222 HydrophobicContact CE1-CD1 3.35Å; F175-L222 HydrophobicContact CE2-CD1 3.89Å; F175-L222 HydrophobicContact CZ-CD1 3.21Å; D206-L222 HydrophobicContact CB-CB 3.94Å; D206-L222 HydrophobicContact CB-CD2 4.02Å; D206-L222 PolarHBondContact O-N 3.01Å; V208-L222 HydrophobicContact CG2-CB 4.19Å; V208-L222 HydrophobicContact CG2-CD1 3.91Å; L222-N224 PolarHBondContact O-N 3.11Å; L222-I225 PolarHBondContact O-N 3.38Å
223	S	96.1	Very high	95.7	Very high	73 Å²	73	54.8 Å²	54.8	51%	0.51	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.8	178	59.5	0	0	0	0	113.3	R221	R221-S223 PolarHBondContact O-N 3.27Å
224	N	97.3	Very high	95.8	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.203	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-92.5	0.3	-173.7	-61.3	-0.3	0	0	0	112.6	V183 T184 G185 R221 L222	V183-N224 CarbonylContact C-O 3.59Å; V183-N224 VanDerWaalsContact CA-O 3.31Å; V183-N224 WeakPolarHBondContact CA-O 3.35Å; V183-N224 HydrophobicContact CG1-CB 4.4Å; T184-N224 PolarHBondContact N-O 3.37Å; T184-N224 PolarHBondContact OG1-O 3.43Å; G185-N224 VanDerWaalsContact C-ND2 3.27Å; G185-N224 PolarHBondContact O-ND2 3.25Å; G185-N224 VanDerWaalsContact O-ND2 3.1Å; R221-N224 PolarHBondContact O-N 2.78Å; L222-N224 PolarHBondContact O-N 3.11Å
225	I	97.3	Very high	96	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.8	176.5	-73.3	-166.4	0	0	0	110.6	K125 F175 C181 I195 V208 V210 T220 L222	K125-I225 WeakPolarHBondContact CD-O 3.5Å; K125-I225 WeakPolarHBondContact CE-O 3.25Å; K125-I225 PolarHBondContact NZ-O 2.94Å; F175-I225 HydrophobicContact CD2-CG2 4.36Å; F175-I225 HydrophobicContact CE2-CG2 3.89Å; C181-I225 HydrophobicContact CB-CG2 3.8Å; I195-I225 HydrophobicContact CD1-CG2 4.3Å; V208-I225 HydrophobicContact CB-CD1 3.29Å; V208-I225 HydrophobicContact CB-CG1 4.5Å; V208-I225 HydrophobicContact CG1-CD1 3.21Å; V208-I225 HydrophobicContact CG2-CD1 3.92Å; V210-I225 HydrophobicContact CG2-CD1 3.82Å; T220-I225 WeakPolarHBondContact OG1-CG1 3.49Å; L222-I225 PolarHBondContact O-N 3.38Å
226	F	98.1	Very high	96.1	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.7	171.6	-166.3	-70.3	0	0	0	109.1	F86 M87 L123 K125 H142 T159 C181 M182 T184 I228	F86-F226 AromaticContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CE2 4.07Å; F86-F226 HydrophobicContact CD1-CG 4.41Å; F86-F226 HydrophobicContact CE1-CB 4.05Å; F86-F226 AromaticContact CE1-CD1 3.96Å; F86-F226 HydrophobicContact CE1-CD1 3.96Å; F86-F226 AromaticContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CE1 4.28Å; F86-F226 AromaticContact CE1-CE2 3.9Å; F86-F226 HydrophobicContact CE1-CE2 3.9Å; F86-F226 AromaticContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CZ 4.25Å; M87-F226 HydrophobicContact CE-CD1 4.43Å; M87-F226 HydrophobicContact CE-CE1 3.83Å; M87-F226 HydrophobicContact CE-CZ 4.39Å; M87-F226 HydrophobicContact CG-CE1 4.3Å; M87-F226 HydrophobicContact CG-CE2 4.46Å; M87-F226 HydrophobicContact CG-CZ 3.98Å; L123-F226 HydrophobicContact CB-CE1 3.84Å; L123-F226 HydrophobicContact CB-CZ 3.98Å; L123-F226 HydrophobicContact CD1-CE1 4.47Å; K125-F226 HydrophobicContact CB-CD2 3.6Å; K125-F226 HydrophobicContact CB-CE2 3.49Å; K125-F226 VanDerWaalsContact CB-CE2 3.49Å; K125-F226 HydrophobicContact CB-CG 4.4Å; K125-F226 HydrophobicContact CB-CZ 4.18Å; K125-F226 HydrophobicContact CD-CD2 4.4Å; H142-F226 AromaticContact CE1-CE2 3.76Å; H142-F226 AromaticContact ND1-CE2 3.88Å; T159-F226 HydrophobicContact CG2-CD1 4.45Å; T159-F226 HydrophobicContact CG2-CE1 3.58Å; T159-F226 HydrophobicContact CG2-CZ 3.95Å; C181-F226 CarbonylContact C-O 3.58Å; C181-F226 WeakPolarHBondContact CA-O 3.49Å; C181-F226 WeakPolarHBondContact CB-O 3.26Å; M182-F226 PolarHBondContact N-O 3.06Å; M182-F226 PolarHBondContact O-N 2.98Å; T184-F226 HydrophobicContact CG2-CB 3.63Å; T184-F226 HydrophobicContact CG2-CD2 4.34Å; T184-F226 HydrophobicContact CG2-CG 4.34Å; F226-I228 HydrophobicContact CD1-CG2 3.66Å; F226-I228 HydrophobicContact CE1-CG2 4.17Å
227	V	98	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.5	178.2	-172.7	0	0	0	0	108.9	T159 I173 F175 N179 L180 I195	T159-V227 WeakPolarHBondContact CB-O 3.36Å; T159-V227 VanDerWaalsContact CG2-O 3.31Å; T159-V227 WeakPolarHBondContact CG2-O 3.38Å; T159-V227 PolarHBondContact OG1-N 2.92Å; T159-V227 PolarHBondContact OG1-O 2.99Å; I173-V227 HydrophobicContact CB-CG1 4.07Å; I173-V227 HydrophobicContact CD1-CG1 4.46Å; I173-V227 HydrophobicContact CG2-CG1 3.49Å; I173-V227 VanDerWaalsContact CG2-CG1 3.49Å; F175-V227 HydrophobicContact CB-CG2 4.22Å; F175-V227 HydrophobicContact CD2-CG2 3.67Å; F175-V227 HydrophobicContact CG-CG2 4.44Å; N179-V227 HydrophobicContact CB-CG1 3.92Å; L180-V227 CarbonylContact O-C 3.43Å; L180-V227 WeakPolarHBondContact O-CA 3.43Å; L180-V227 WeakPolarHBondContact O-CG1 3.39Å; I195-V227 HydrophobicContact CD1-CG2 4.1Å
228	I	97.5	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-4.3	-174.2	58.9	164.6	0	0	0	113.4	M87 L123 L180 M182 I192 F226 W235 I236 L238	M87-I228 HydrophobicContact CE-CG2 3.86Å; L123-I228 HydrophobicContact CD1-CB 4.44Å; L180-I228 HydrophobicContact CB-CG1 4.22Å; L180-I228 HydrophobicContact CD2-CD1 3.85Å; L180-I228 HydrophobicContact CD2-CG1 4Å; L180-I228 HydrophobicContact CG-CD1 4.13Å; L180-I228 HydrophobicContact CG-CG1 3.99Å; L180-I228 PolarHBondContact O-N 2.76Å; M182-I228 HydrophobicContact CB-CD1 4.25Å; M182-I228 HydrophobicContact CB-CG2 4.11Å; I192-I228 HydrophobicContact CD1-CD1 4.17Å; I192-I228 HydrophobicContact CG1-CD1 4.37Å; I192-I228 HydrophobicContact CG2-CD1 4.05Å; F226-I228 HydrophobicContact CD1-CG2 3.66Å; F226-I228 HydrophobicContact CE1-CG2 4.17Å; I228-W235 WeakPolarHBondContact O-CB 3.38Å; I228-W235 PolarHBondContact O-N 3.23Å; I228-I236 HydrophobicContact CB-CG1 4.4Å; I228-L238 HydrophobicContact CD1-CD2 3.92Å
229	G	96	Very high	95.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	165	-178.4	0	0	0	0	0	113.9	N179 L180 K233	N179-G229 WeakPolarHBondContact CB-O 3.48Å; L180-G229 PolarHBondContact N-O 2.85Å; L180-G229 VanDerWaalsContact N-O 3.15Å; L180-G229 PolarHBondContact O-N 3.13Å; G229-K233 WeakPolarHBondContact CA-O 3.4Å
230	K	94.1	Very high	95.6	Very high	99 Å²	99	53.2 Å²	53.2	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.6	173.6	-69.4	175.6	177.8	165.7	0	108.8	D171 I173 N179 N232 K233 W235	D171-K230 IonicContact OD1-NZ 3.61Å; D171-K230 IonicContact OD2-NZ 3.41Å; I173-K230 HydrophobicContact CG1-CG 4.3Å; I173-K230 HydrophobicContact CG2-CG 3.95Å; N179-K230 WeakPolarHBondContact OD1-CA 3.48Å; K230-N232 PolarHBondContact O-N 2.84Å; K230-K233 PolarHBondContact N-O 3.38Å; K230-K233 PolarHBondContact O-N 2.94Å; K230-K233 VanDerWaalsContact O-N 3.11Å; K230-W235 HydrophobicContact CD-CZ2 3.95Å; K230-W235 HydrophobicContact CG-CZ2 4.32Å
231	G	92.1	Very high	95.3	Very high	31 Å²	31	54.4 Å²	54.4	32%	0.32	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-130.9	-175.5	0	0	0	0	0	111.9	G178 N179 L180	G178-G231 WeakPolarHBondContact O-CA 3.35Å; N179-G231 PolarHBondContact OD1-N 3.08Å; L180-G231 WeakPolarHBondContact CB-O 3.43Å; L180-G231 PolarHBondContact N-O 3.37Å
232	N	89.4	Confident	95.1	Very high	134 Å²	134	55.3 Å²	55.3	72%	0.717	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	1.1	175.8	-69.2	-23.9	0	0	0	114.2	V194 K230 P234	V194-N232 VanDerWaalsContact CG2-OD1 3.23Å; V194-N232 WeakPolarHBondContact CG2-OD1 3.33Å; K230-N232 PolarHBondContact O-N 2.84Å; N232-P234 WeakPolarHBondContact O-CD 3.36Å
233	K	94.5	Very high	94.9	Very high	162 Å²	162	54.4 Å²	54.4	70%	0.704	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.1	-175	-173	176.6	178.8	179.1	0	110.5	G229 K230	G229-K233 WeakPolarHBondContact CA-O 3.4Å; K230-K233 PolarHBondContact N-O 3.38Å; K230-K233 PolarHBondContact O-N 2.94Å; K230-K233 VanDerWaalsContact O-N 3.11Å
234	P	96.3	Very high	94.9	Very high	41 Å²	41	52.7 Å²	52.7	27%	0.266	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.6	174.5	31.4	-35.2	0	0	0	110.4	L180 N232 I236 L238	L180-P234 HydrophobicContact CD2-CB 3.79Å; L180-P234 HydrophobicContact CD2-CG 4.4Å; N232-P234 WeakPolarHBondContact O-CD 3.36Å; P234-I236 WeakPolarHBondContact CB-O 3.38Å; P234-L238 HydrophobicContact CB-CD1 4.36Å; P234-L238 HydrophobicContact CB-CD2 4.04Å; P234-L238 HydrophobicContact CB-CG 4.18Å; P234-L238 HydrophobicContact CG-CD1 4.11Å; P234-L238 HydrophobicContact CG-CG 4.09Å
235	W	96.5	Very high	94.7	Very high	42 Å²	42	55.5 Å²	55.5	16%	0.159	27%	0.272	C	S	.	.	S	Bend	trans	-83.3	-1.1	170.1	-75.8	14.4	0	0	0	112.8	Y121 L123 Q161 D171 F172 I173 I228 K230	Y121-W235 PolarHBondContact OH-O 3.36Å; L123-W235 HydrophobicContact CD1-CB 4.18Å; L123-W235 HydrophobicContact CD2-CB 4.47Å; L123-W235 HydrophobicContact CD2-CE3 3.87Å; Q161-W235 HydrophobicContact CB-CE3 4.19Å; Q161-W235 HydrophobicContact CB-CZ3 3.92Å; D171-W235 HydrophobicContact CB-CH2 3.6Å; D171-W235 HydrophobicContact CB-CZ3 3.92Å; D171-W235 WeakPolarHBondContact OD2-CH2 3.42Å; D171-W235 WeakPolarHBondContact OD2-CZ2 3.43Å; F172-W235 WeakPolarHBondContact O-CH2 3.37Å; I173-W235 HydrophobicContact CD1-CD2 3.45Å; I173-W235 VanDerWaalsContact CD1-CD2 3.45Å; I173-W235 HydrophobicContact CD1-CE3 3.58Å; I173-W235 HydrophobicContact CD1-CG 3.91Å; I173-W235 HydrophobicContact CD1-CH2 4.16Å; I173-W235 HydrophobicContact CD1-CZ2 4.09Å; I173-W235 HydrophobicContact CD1-CZ3 3.93Å; I173-W235 HydrophobicContact CG1-CD2 3.79Å; I173-W235 HydrophobicContact CG1-CE3 3.76Å; I173-W235 HydrophobicContact CG1-CH2 3.39Å; I173-W235 HydrophobicContact CG1-CZ2 3.46Å; I173-W235 VanDerWaalsContact CG1-CZ2 3.46Å; I173-W235 HydrophobicContact CG1-CZ3 3.56Å; I228-W235 WeakPolarHBondContact O-CB 3.38Å; I228-W235 PolarHBondContact O-N 3.23Å; K230-W235 HydrophobicContact CD-CZ2 3.95Å; K230-W235 HydrophobicContact CG-CZ2 4.32Å
236	I	96.3	Very high	94.5	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.031	28%	0.284	C	S	.	.	S	Bend	trans	-132.4	152	-179.5	59	146.3	0	0	0	110.1	M87 I102 E118 Y121 L123 I228 P234 L238	M87-I236 HydrophobicContact CE-CD1 3.51Å; M87-I236 HydrophobicContact CE-CG1 4.1Å; M87-I236 HydrophobicContact CE-CG2 3.96Å; M87-I236 HydrophobicContact SD-CD1 3.92Å; I102-I236 HydrophobicContact CD1-CD1 3.78Å; E118-I236 WeakPolarHBondContact OE1-CA 3.38Å; Y121-I236 HydrophobicContact CE2-CG2 4.4Å; L123-I236 HydrophobicContact CD1-CG2 3.7Å; L123-I236 HydrophobicContact CG-CG2 3.83Å; I228-I236 HydrophobicContact CB-CG1 4.4Å; P234-I236 WeakPolarHBondContact CB-O 3.38Å; I236-L238 HydrophobicContact CD1-CD2 4.27Å; I236-L238 HydrophobicContact CG1-CD2 4.24Å
237	S	96.2	Very high	94.4	Very high	39 Å²	39	61.3 Å²	61.3	27%	0.273	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-66.4	134.6	168.4	59.2	0	0	0	0	110	I102 H112 E118	I102-S237 WeakPolarHBondContact CD1-O 3.34Å; H112-S237 WeakPolarHBondContact NE2-CB 3.43Å; H112-S237 PolarHBondContact NE2-O 3.47Å; H112-S237 PolarHBondContact NE2-OG 2.82Å; E118-S237 VanDerWaalsContact CD-OG 3.22Å; E118-S237 PolarHBondContact OE1-N 3.21Å; E118-S237 PolarHBondContact OE1-OG 2.79Å; E118-S237 VanDerWaalsContact OE2-CB 3.23Å; E118-S237 WeakPolarHBondContact OE2-CB 3.49Å; E118-S237 PolarHBondContact OE2-OG 2.72Å
238	L	95	Very high	94.3	Very high	42 Å²	42	68.6 Å²	68.6	22%	0.22	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-93.6	144.8	-176.5	-60	-175.3	0	0	0	110.8	H112 I192 I228 P234 I236 K242	H112-L238 PolarHBondContact CE1-O 3.48Å; I192-L238 HydrophobicContact CD1-CD1 3.82Å; I192-L238 HydrophobicContact CD1-CD2 3.56Å; I192-L238 HydrophobicContact CD1-CG 4.16Å; I228-L238 HydrophobicContact CD1-CD2 3.92Å; P234-L238 HydrophobicContact CB-CD1 4.36Å; P234-L238 HydrophobicContact CB-CD2 4.04Å; P234-L238 HydrophobicContact CB-CG 4.18Å; P234-L238 HydrophobicContact CG-CD1 4.11Å; P234-L238 HydrophobicContact CG-CG 4.09Å; I236-L238 HydrophobicContact CD1-CD2 4.27Å; I236-L238 HydrophobicContact CG1-CD2 4.24Å; L238-K242 HydrophobicContact CD1-CB 4.34Å
239	P	93.9	Very high	94.2	Very high	9 Å²	9	71 Å²	71	6%	0.058	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.2	165.6	174.9	29.4	-35.6	0	0	0	111.4	I102 A110 G241 K242	I102-P239 HydrophobicContact CG2-CG 3.97Å; A110-P239 HydrophobicContact CB-CB 4.43Å; P239-G241 PolarHBondContact O-N 3.34Å; P239-K242 PolarHBondContact O-N 2.93Å
240	R	91	Very high	94.1	Very high	233 Å²	233	75.3 Å²	75.3	88%	0.879	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	131.6	176.4	-173.5	179.5	-178	-171.5	1.6	110.8
241	G	91.1	Very high	94.1	Very high	40 Å²	40	73.7 Å²	73.7	41%	0.412	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-2.8	-177	0	0	0	0	0	114.6	P239 G243 I244	P239-G241 PolarHBondContact O-N 3.34Å; G241-G243 PolarHBondContact O-N 3.12Å; G241-I244 WeakPolarHBondContact O-CB 3.45Å; G241-I244 PolarHBondContact O-N 2.91Å
242	K	93.7	Very high	94.2	Very high	147 Å²	147	78.3 Å²	78.3	64%	0.639	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	29.6	171.4	-58.3	-177.9	-179.8	179.5	0	114.2	L238 P239 I244	L238-K242 HydrophobicContact CD1-CB 4.34Å; P239-K242 PolarHBondContact O-N 2.93Å; K242-I244 VanDerWaalsContact C-N 3.28Å; K242-I244 PolarHBondContact O-N 2.82Å
243	G	92.9	Very high	94.5	Very high	2 Å²	2	75.7 Å²	75.7	2%	0.021	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	11.6	-178.9	0	0	0	0	0	115.6	T105 R191 I192 G241	T105-G243 VanDerWaalsContact CG2-CA 3.48Å; R191-G243 VanDerWaalsContact CA-O 3.29Å; R191-G243 WeakPolarHBondContact CA-O 3.33Å; I192-G243 PolarHBondContact N-O 3.11Å; I192-G243 VanDerWaalsContact N-O 3.08Å; G241-G243 PolarHBondContact O-N 3.12Å
244	I	95	Very high	94.4	Very high	37 Å²	37	73.8 Å²	73.8	19%	0.19	36%	0.362	C	S	.	.			trans	-85.2	115.8	176.2	-60	169.9	0	0	0	109	T105 A213 N214 G241 K242 L246	T105-I244 WeakPolarHBondContact CG2-O 3.48Å; A213-I244 HydrophobicContact CB-CD1 4.33Å; N214-I244 WeakPolarHBondContact ND2-CG2 3.47Å; G241-I244 WeakPolarHBondContact O-CB 3.45Å; G241-I244 PolarHBondContact O-N 2.91Å; K242-I244 VanDerWaalsContact C-N 3.28Å; K242-I244 PolarHBondContact O-N 2.82Å; I244-L246 HydrophobicContact CG2-CD2 4.2Å; I244-L246 PolarHBondContact O-N 3.21Å
245	R	94.2	Very high	94.2	Very high	97 Å²	97	80 Å²	80	37%	0.366	38%	0.381	S	S	.	.			trans	-90	98.3	176.9	-176.4	159.5	63.1	91	-5	109.4	T105 N188 R191	T105-R245 WeakPolarHBondContact O-CD 3.34Å; N188-R245 PolarHBondContact OD1-NH2 2.79Å; R191-R245 HydrophobicContact CG-CB 3.98Å
246	L	93.4	Very high	94.1	Very high	49 Å²	49	82 Å²	82	26%	0.257	39%	0.394	S	S	.	.			trans	-62.3	153.1	173	-61.3	178.8	0	0	0	110.9	I244 E250 E251 K254	I244-L246 HydrophobicContact CG2-CD2 4.2Å; I244-L246 PolarHBondContact O-N 3.21Å; L246-E250 VanDerWaalsContact CA-OE2 3.31Å; L246-E250 WeakPolarHBondContact CA-OE2 2.93Å; L246-E250 HydrophobicContact CB-CB 3.99Å; L246-E250 WeakPolarHBondContact CB-OE2 3.43Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.06Å; L246-E251 HydrophobicContact CB-CG 3.96Å; L246-K254 HydrophobicContact CD1-CD 4.16Å
247	T	94.8	Very high	94	Very high	78 Å²	78	84.2 Å²	84.2	48%	0.479	41%	0.413	S	S	.	.			trans	-70	163.7	172.6	69.6	0	0	0	0	110.8	A249 E250 E251	T247-A249 PolarHBondContact O-N 3.32Å; T247-E250 PolarHBondContact N-OE2 3.45Å; T247-E250 PolarHBondContact O-N 3.03Å; T247-E250 VanDerWaalsContact OG1-CG 3.3Å; T247-E250 WeakPolarHBondContact OG1-CG 3.49Å; T247-E250 PolarHBondContact OG1-N 3.45Å; T247-E250 PolarHBondContact OG1-OE2 3.37Å; T247-E251 PolarHBondContact O-N 2.93Å
248	I	95.4	Very high	93.8	Very high	153 Å²	153	85 Å²	85	79%	0.785	42%	0.422	S	S	*	.	H	α-helix	trans	-60.8	-36.3	-180	-60.8	171.2	0	0	0	110.9	R252	I248-R252 WeakPolarHBondContact O-CB 3.23Å; I248-R252 PolarHBondContact O-N 3.27Å
249	A	96	Very high	93.6	Very high	50 Å²	50	90.8 Å²	90.8	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-50.4	176.4	0	0	0	0	0	111.3	T247 E251 R252 D253	T247-A249 PolarHBondContact O-N 3.32Å; A249-E251 VanDerWaalsContact C-N 3.33Å; A249-E251 PolarHBondContact O-N 2.71Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.33Å; A249-R252 VanDerWaalsContact O-N 3.08Å; A249-D253 VanDerWaalsContact O-CG 3.23Å; A249-D253 PolarHBondContact O-N 3Å
250	E	94.2	Very high	93.4	Very high	90 Å²	90	97.6 Å²	97.6	42%	0.421	48%	0.476	S	S	.	.	H	α-helix	trans	-60.9	-40.1	177.3	-69.6	167.9	167.8	0	0	112.4	L246 T247 R252 D253 K254	L246-E250 VanDerWaalsContact CA-OE2 3.31Å; L246-E250 WeakPolarHBondContact CA-OE2 2.93Å; L246-E250 HydrophobicContact CB-CB 3.99Å; L246-E250 WeakPolarHBondContact CB-OE2 3.43Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.06Å; T247-E250 PolarHBondContact N-OE2 3.45Å; T247-E250 PolarHBondContact O-N 3.03Å; T247-E250 VanDerWaalsContact OG1-CG 3.3Å; T247-E250 WeakPolarHBondContact OG1-CG 3.49Å; T247-E250 PolarHBondContact OG1-N 3.45Å; T247-E250 PolarHBondContact OG1-OE2 3.37Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 3.19Å; E250-D253 PolarHBondContact O-N 2.61Å; E250-K254 VanDerWaalsContact O-CB 3.27Å; E250-K254 WeakPolarHBondContact O-CB 3.15Å; E250-K254 PolarHBondContact O-N 3.35Å
251	E	93.3	Very high	93.1	Very high	65 Å²	65	91.2 Å²	91.2	30%	0.304	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-40.4	174.3	-76.4	-160.1	168.6	0	0	111.9	K106 L246 T247 A249 R255	K106-E251 WeakPolarHBondContact CE-OE1 3.41Å; K106-E251 WeakPolarHBondContact CE-OE2 3.38Å; K106-E251 IonicContact NZ-OE1 2.93Å; K106-E251 PolarHBondContact NZ-OE1 3.43Å; K106-E251 IonicContact NZ-OE2 3.01Å; K106-E251 PolarHBondContact NZ-OE2 3.46Å; L246-E251 HydrophobicContact CB-CG 3.96Å; T247-E251 PolarHBondContact O-N 2.93Å; A249-E251 VanDerWaalsContact C-N 3.33Å; A249-E251 PolarHBondContact O-N 2.71Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 PolarHBondContact O-N 3.31Å
252	R	94.5	Very high	92.2	Very high	129 Å²	129	93.9 Å²	93.9	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-50.1	177.6	178.4	-164.2	68.9	-172.6	-2	110.4	I248 A249 E250 R255 L256	I248-R252 WeakPolarHBondContact O-CB 3.23Å; I248-R252 PolarHBondContact O-N 3.27Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.33Å; A249-R252 VanDerWaalsContact O-N 3.08Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 3.19Å; R252-R255 WeakPolarHBondContact O-CB 3.32Å; R252-R255 PolarHBondContact O-N 3.48Å; R252-R255 VanDerWaalsContact O-N 3.12Å; R252-L256 HydrophobicContact CG-CD1 4.23Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.12Å
253	D	95.3	Very high	90.4	Very high	78 Å²	78	92.6 Å²	92.6	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-42.7	-174.3	-59.8	-15.4	0	0	0	110.2	A249 E250 R255 L256 A257	A249-D253 VanDerWaalsContact O-CG 3.23Å; A249-D253 PolarHBondContact O-N 3Å; E250-D253 PolarHBondContact O-N 2.61Å; D253-R255 VanDerWaalsContact C-N 3.29Å; D253-R255 PolarHBondContact O-N 3.24Å; D253-L256 PolarHBondContact O-N 3.34Å; D253-A257 WeakPolarHBondContact O-CB 3.44Å; D253-A257 PolarHBondContact O-N 2.92Å
254	K	92.5	Very high	90.3	Very high	123 Å²	123	97.2 Å²	97.2	54%	0.535	53%	0.533	S	S	.	.	H	α-helix	trans	-58.6	-38.6	172	-175.7	174.9	-175.1	168.9	0	113.1	L246 E250 A258	L246-K254 HydrophobicContact CD1-CD 4.16Å; E250-K254 VanDerWaalsContact O-CB 3.27Å; E250-K254 WeakPolarHBondContact O-CB 3.15Å; E250-K254 PolarHBondContact O-N 3.35Å; K254-A258 WeakPolarHBondContact O-CB 3.47Å; K254-A258 PolarHBondContact O-N 3.4Å; K254-A258 VanDerWaalsContact O-N 3.08Å
255	R	92.4	Very high	90	Very high	172 Å²	172	100.3 Å²	100.3	65%	0.649	55%	0.551	S	S	*	*	H	α-helix	trans	-68.9	-41.8	178.6	-178.7	-176.1	65.8	177.5	0.2	111.8	E251 R252 D253 K259	E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 PolarHBondContact O-N 3.31Å; R252-R255 WeakPolarHBondContact O-CB 3.32Å; R252-R255 PolarHBondContact O-N 3.48Å; R252-R255 VanDerWaalsContact O-N 3.12Å; D253-R255 VanDerWaalsContact C-N 3.29Å; D253-R255 PolarHBondContact O-N 3.24Å; R255-K259 PolarHBondContact O-N 3.39Å; R255-K259 VanDerWaalsContact O-N 3.15Å
256	L	94.1	Very high	89.8	Confident	83 Å²	83	100.5 Å²	100.5	44%	0.435	56%	0.561	S	S	.	*	H	α-helix	trans	-64.9	-46.5	177.6	-69.2	174	0	0	0	110.8	R252 D253 A258 K259 Q260	R252-L256 HydrophobicContact CG-CD1 4.23Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.12Å; D253-L256 PolarHBondContact O-N 3.34Å; L256-A258 PolarHBondContact O-N 3.48Å; L256-K259 PolarHBondContact O-N 2.76Å; L256-Q260 WeakPolarHBondContact O-CG 3.35Å; L256-Q260 PolarHBondContact O-N 3.08Å
257	A	94.4	Very high	89.6	Confident	53 Å²	53	103.5 Å²	103.5	44%	0.438	58%	0.579	S	S	.	*	H	α-helix	trans	-57.6	-46.4	176.3	0	0	0	0	0	112	D253 K259 Q260 S261	D253-A257 WeakPolarHBondContact O-CB 3.44Å; D253-A257 PolarHBondContact O-N 2.92Å; A257-K259 VanDerWaalsContact C-N 3.33Å; A257-K259 PolarHBondContact O-N 3.35Å; A257-Q260 PolarHBondContact O-N 3.14Å; A257-S261 PolarHBondContact O-N 3.14Å; A257-S261 PolarHBondContact O-OG 3.24Å
258	A	92.2	Very high	89.2	Confident	55 Å²	55	105.1 Å²	105.1	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-62.8	-37.6	178.9	0	0	0	0	0	113.1	K254 L256 S261 S262	K254-A258 WeakPolarHBondContact O-CB 3.47Å; K254-A258 PolarHBondContact O-N 3.4Å; K254-A258 VanDerWaalsContact O-N 3.08Å; L256-A258 PolarHBondContact O-N 3.48Å; A258-S261 WeakPolarHBondContact CA-OG 3.37Å; A258-S261 PolarHBondContact O-OG 3.09Å; A258-S262 WeakPolarHBondContact O-CB 3.32Å; A258-S262 PolarHBondContact O-N 3.26Å; A258-S262 PolarHBondContact O-OG 2.78Å; A258-S262 VanDerWaalsContact O-OG 3.06Å
259	K	91.3	Very high	88.8	Confident	164 Å²	164	101.9 Å²	101.9	71%	0.713	57%	0.572	S	S	*	*	H	α-helix	trans	-70.8	-40.1	178.8	-170.9	177.1	-179.9	-175.1	0	111.6	R255 L256 A257 S262 G263	R255-K259 PolarHBondContact O-N 3.39Å; R255-K259 VanDerWaalsContact O-N 3.15Å; L256-K259 PolarHBondContact O-N 2.76Å; A257-K259 VanDerWaalsContact C-N 3.33Å; A257-K259 PolarHBondContact O-N 3.35Å; K259-S262 PolarHBondContact O-N 2.94Å; K259-S262 PolarHBondContact O-OG 3.26Å; K259-G263 PolarHBondContact O-N 3.38Å
260	Q	89.8	Confident	88.3	Confident	152 Å²	152	105.6 Å²	105.6	71%	0.71	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-36.5	176.9	-73.2	173.3	-12.8	0	0	112.1	L256 A257 S262	L256-Q260 WeakPolarHBondContact O-CG 3.35Å; L256-Q260 PolarHBondContact O-N 3.08Å; A257-Q260 PolarHBondContact O-N 3.14Å; Q260-S262 PolarHBondContact O-N 3.48Å
261	S	83.9	Confident	87.9	Confident	98 Å²	98	106.8 Å²	106.8	69%	0.685	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-13.7	177	59.6	0	0	0	0	114.6	A257 A258	A257-S261 PolarHBondContact O-N 3.14Å; A257-S261 PolarHBondContact O-OG 3.24Å; A258-S261 WeakPolarHBondContact CA-OG 3.37Å; A258-S261 PolarHBondContact O-OG 3.09Å
262	S	73.4	Confident	87.4	Confident	96 Å²	96	110.3 Å²	110.3	67%	0.671	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-0.8	-175.8	61.3	0	0	0	0	114.2	A258 K259 Q260	A258-S262 WeakPolarHBondContact O-CB 3.32Å; A258-S262 PolarHBondContact O-N 3.26Å; A258-S262 PolarHBondContact O-OG 2.78Å; A258-S262 VanDerWaalsContact O-OG 3.06Å; K259-S262 PolarHBondContact O-N 2.94Å; K259-S262 PolarHBondContact O-OG 3.26Å; Q260-S262 PolarHBondContact O-N 3.48Å
263	G	55	Low	86.8	Confident	121 Å²	121	108.6 Å²	108.6	100%	1.247	63%	0.632	S	S	*	*			trans	-107.2	0	172.1	0	0	0	0	0	109.5	K259	K259-G263 PolarHBondContact O-N 3.38Å

Retrieved 263 of 263 residues in 49.5 ms (Link to these results)

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