A0A060XH16_ONCMY Loading...

Cell division control protein 42 homolog

Plasma membrane-associated small GTPase which cycles between an active GTP-bound and an inactive GDP-bound state.

AlphaFold DB (A0A674BPS4), UniProt , Accession A0A060XH16, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.5	Low	93.2	Very high	145 Å²	145	37.4 Å²	37.4	71%	0.714	19%	0.191	S	C	*	.				0	117.8	0	-163	171.8	-179.1	0	0	106.7	T43 T52	M1-T43 HydrophobicContact CE-CG2 3.8Å; M1-T52 WeakPolarHBondContact CE-OG1 2.97Å; M1-T52 PolarHBondContact SD-OG1 3.31Å
2	Q	86.1	Confident	93.3	Very high	118 Å²	118	36.8 Å²	36.8	55%	0.551	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.3	178.1	-67.3	-176.5	18.2	0	0	108.4	Y51 T52	Q2-Y51 HydrophobicContact CB-CD1 3.61Å; Q2-Y51 HydrophobicContact CB-CE1 3.43Å; Q2-Y51 VanDerWaalsContact CB-CE1 3.43Å; Q2-Y51 HydrophobicContact CB-CG 4.49Å; Q2-Y51 HydrophobicContact CG-CE1 4.15Å; Q2-Y51 WeakPolarHBondContact O-CA 3.45Å; Q2-Y51 PolarHBondContact OE1-OH 2.87Å; Q2-T52 PolarHBondContact O-N 2.8Å
3	T	93.3	Very high	93.5	Very high	90 Å²	90	38.8 Å²	38.8	55%	0.552	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.2	179.5	-58.4	0	0	0	0	108.3	T52	T3-T52 CarbonylContact C-O 3.54Å; T3-T52 VanDerWaalsContact CA-O 3.3Å; T3-T52 WeakPolarHBondContact CA-O 3.38Å; T3-T52 HydrophobicContact CG2-CG2 4.33Å
4	I	96.4	Very high	93.8	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.1	171.2	-61.5	170.4	0	0	0	107.1	I46 Y51 T52 L53 G54 D76 I173 A176 L177	I4-I46 HydrophobicContact CD1-CD1 4.2Å; I4-Y51 HydrophobicContact CD1-CD1 3.93Å; I4-Y51 HydrophobicContact CG1-CD1 4.18Å; I4-T52 PolarHBondContact N-O 3.49Å; I4-L53 HydrophobicContact CB-CD1 4.05Å; I4-L53 HydrophobicContact CG2-CD1 3.88Å; I4-G54 PolarHBondContact O-N 3.24Å; I4-D76 WeakPolarHBondContact CA-OD2 3.38Å; I4-D76 HydrophobicContact CG2-CB 4.18Å; I4-I173 HydrophobicContact CD1-CB 4.49Å; I4-I173 HydrophobicContact CD1-CG1 4.35Å; I4-I173 HydrophobicContact CD1-CG2 4Å; I4-A176 HydrophobicContact CG2-CB 3.63Å; I4-L177 HydrophobicContact CD1-CD1 4.43Å; I4-L177 HydrophobicContact CD1-CD2 4.05Å; I4-L177 HydrophobicContact CD1-CG 4.09Å
5	K	97.6	Very high	93.9	Very high	28 Å²	28	34.8 Å²	34.8	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.1	174.3	177.1	167	175.6	-177.2	0	110.3	V7 F56 S71 P73 D76 V77	K5-V7 HydrophobicContact CG-CG2 4.35Å; K5-F56 HydrophobicContact CB-CE2 4.4Å; K5-F56 HydrophobicContact CD-CD2 4.23Å; K5-F56 HydrophobicContact CD-CE1 4.46Å; K5-F56 HydrophobicContact CD-CE2 3.79Å; K5-F56 HydrophobicContact CD-CZ 3.92Å; K5-F56 HydrophobicContact CG-CD2 3.77Å; K5-F56 HydrophobicContact CG-CE2 3.57Å; K5-F56 HydrophobicContact CG-CZ 4.23Å; K5-S71 WeakPolarHBondContact CE-O 3.11Å; K5-S71 PolarHBondContact NZ-O 3.4Å; K5-P73 PolarHBondContact NZ-O 2.94Å; K5-D76 PolarHBondContact N-OD2 3.19Å; K5-D76 PolarHBondContact O-N 2.89Å; K5-V77 PolarHBondContact O-N 3.01Å
6	C	98.2	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.6	176.2	175.3	0	0	0	0	110	L53 G54 L55 F56 V77	C6-L53 HydrophobicContact CB-CD1 3.92Å; C6-G54 PolarHBondContact N-O 2.95Å; C6-L55 HydrophobicContact CB-CD2 4.07Å; C6-L55 WeakPolarHBondContact O-CA 3.27Å; C6-F56 PolarHBondContact O-N 3.48Å; C6-V77 WeakPolarHBondContact CA-O 3.5Å; C6-V77 HydrophobicContact CB-CG1 3.89Å
7	V	98.6	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.9	177	179.1	0	0	0	0	110.3	K5 V9 F56 T58 Y72 T75 V77 F78 L79	K5-V7 HydrophobicContact CG-CG2 4.35Å; V7-V9 HydrophobicContact CG1-CG1 4.15Å; V7-F56 HydrophobicContact CB-CB 4.38Å; V7-F56 HydrophobicContact CG1-CB 4.46Å; V7-F56 HydrophobicContact CG2-CB 3.88Å; V7-F56 HydrophobicContact CG2-CG 4.27Å; V7-T58 HydrophobicContact CG1-CG2 3.86Å; V7-Y72 HydrophobicContact CG1-CD1 4.04Å; V7-Y72 HydrophobicContact CG1-CE1 4Å; V7-T75 HydrophobicContact CB-CG2 4.02Å; V7-T75 HydrophobicContact CG2-CG2 3.76Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.07Å; V7-V77 PolarHBondContact N-O 3.1Å; V7-V77 VanDerWaalsContact N-O 3.08Å; V7-F78 HydrophobicContact CB-CD1 3.74Å; V7-F78 HydrophobicContact CB-CE1 3.71Å; V7-F78 HydrophobicContact CG1-CD1 4.03Å; V7-F78 HydrophobicContact CG1-CE1 3.85Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 CarbonylContact O-C 3.46Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V7-L79 PolarHBondContact O-N 3.25Å
8	V	98.6	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.9	-179	-167	0	0	0	0	110.1	K16 L20 F56 T58 L79 C81	V8-K16 HydrophobicContact CG1-CB 3.88Å; V8-K16 HydrophobicContact CG1-CD 4Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V8-L20 HydrophobicContact CG2-CD1 4Å; V8-L20 HydrophobicContact CG2-CD2 3.7Å; V8-L20 HydrophobicContact CG2-CG 4.18Å; V8-F56 PolarHBondContact N-O 2.64Å; V8-T58 WeakPolarHBondContact O-CB 3.12Å; V8-T58 PolarHBondContact O-OG1 3.32Å; V8-L79 HydrophobicContact CB-CB 4.47Å; V8-L79 HydrophobicContact CG1-CB 4.12Å; V8-L79 HydrophobicContact CG2-CB 4.25Å; V8-L79 HydrophobicContact CG2-CD1 4.07Å; V8-L79 HydrophobicContact CG2-CG 4.47Å; V8-C81 VanDerWaalsContact CG1-SG 3.58Å
9	V	98.7	Very high	94.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.8	179.7	-58.9	0	0	0	0	110.8	V7 K16 Y72 F78 L79 V80 C81 W97 I101	V7-V9 HydrophobicContact CG1-CG1 4.15Å; V9-K16 VanDerWaalsContact C-CD 3.46Å; V9-Y72 HydrophobicContact CG1-CE1 3.9Å; V9-F78 HydrophobicContact CG1-CD1 4.45Å; V9-L79 PolarHBondContact N-O 2.69Å; V9-V80 HydrophobicContact CG2-CB 4.4Å; V9-V80 HydrophobicContact CG2-CG1 4.48Å; V9-V80 HydrophobicContact CG2-CG2 3.94Å; V9-C81 WeakPolarHBondContact O-CB 3.39Å; V9-C81 PolarHBondContact O-N 3.27Å; V9-W97 HydrophobicContact CB-CE3 3.88Å; V9-W97 HydrophobicContact CB-CZ3 4.21Å; V9-W97 HydrophobicContact CG2-CE3 4.27Å; V9-I101 HydrophobicContact CG1-CG2 4.46Å; V9-I101 HydrophobicContact CG2-CG2 4.03Å
10	G	98.6	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	167	-174.8	0	0	0	0	0	111.6	K16 G60 C81 W97	G10-K16 PolarHBondContact O-NZ 2.91Å; G10-G60 WeakPolarHBondContact O-CA 3.4Å; G10-C81 WeakPolarHBondContact CA-O 3.22Å; G10-W97 VanDerWaalsContact CA-CE2 3.41Å; G10-W97 WeakPolarHBondContact O-CH2 3.34Å; G10-W97 VanDerWaalsContact O-CZ2 3.24Å; G10-W97 WeakPolarHBondContact O-CZ2 3.5Å
11	D	98.4	Very high	94.5	Very high	24 Å²	24	29.4 Å²	29.4	13%	0.128	17%	0.174	C	C	.	.			trans	-54.8	161.9	-176.7	-81.3	16.9	0	0	0	113.5	V14 K16 S89 N92 W97	D11-V14 HydrophobicContact CB-CG1 3.65Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.34Å; D11-K16 PolarHBondContact O-NZ 2.84Å; D11-S89 WeakPolarHBondContact OD2-CA 3.2Å; D11-N92 WeakPolarHBondContact OD1-CB 3.3Å; D11-N92 PolarHBondContact OD1-ND2 2.9Å; D11-N92 PolarHBondContact OD2-ND2 3.24Å; D11-W97 PolarHBondContact OD1-NE1 2.91Å
12	G	95.1	Very high	96.1	Very high	31 Å²	31	22.5 Å²	22.5	32%	0.32	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	147.2	166.7	0	0	0	0	0	111.4	V14	G12-V14 PolarHBondContact O-N 2.85Å
13	A	95	Very high	96.5	Very high	63 Å²	63	18.6 Å²	18.6	52%	0.521	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	7.1	175	0	0	0	0	0	117.6	G15 Q116	A13-G15 PolarHBondContact O-N 2.95Å; A13-G15 VanDerWaalsContact O-N 3.16Å; A13-Q116 PolarHBondContact O-NE2 3Å; A13-Q116 VanDerWaalsContact O-NE2 3.13Å
14	V	97.8	Very high	96.5	Very high	2 Å²	2	16 Å²	16	1%	0.012	11%	0.105	C	C	.	.	S	Bend	trans	-75.5	8	172.7	-52.7	0	0	0	0	113.6	D11 G12 K16 C81 T115	D11-V14 HydrophobicContact CB-CG1 3.65Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.34Å; G12-V14 PolarHBondContact O-N 2.85Å; V14-K16 HydrophobicContact CG2-CD 4.37Å; V14-K16 HydrophobicContact CG2-CG 3.75Å; V14-C81 HydrophobicContact CG2-CB 3.95Å; V14-T115 WeakPolarHBondContact O-CB 3.42Å; V14-T115 PolarHBondContact O-OG1 3.13Å
15	G	96.4	Very high	96.2	Very high	15 Å²	15	19.1 Å²	19.1	16%	0.155	12%	0.124	C	C	.	.	S	Bend	trans	81	21.2	173.6	0	0	0	0	0	116.6	A13 T17 C18 L19	A13-G15 PolarHBondContact O-N 2.95Å; A13-G15 VanDerWaalsContact O-N 3.16Å; G15-T17 PolarHBondContact O-N 2.91Å; G15-C18 PolarHBondContact O-N 2.83Å; G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 PolarHBondContact O-N 2.84Å
16	K	97.6	Very high	95.8	Very high	10 Å²	10	23.4 Å²	23.4	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-53.9	-51.3	173.3	-57.9	-171.8	-58.5	-75.4	0	112.3	V8 V9 G10 D11 V14 C18 L19 L20 T58 C81	V8-K16 HydrophobicContact CG1-CB 3.88Å; V8-K16 HydrophobicContact CG1-CD 4Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V9-K16 VanDerWaalsContact C-CD 3.46Å; G10-K16 PolarHBondContact O-NZ 2.91Å; D11-K16 PolarHBondContact O-NZ 2.84Å; V14-K16 HydrophobicContact CG2-CD 4.37Å; V14-K16 HydrophobicContact CG2-CG 3.75Å; K16-C18 PolarHBondContact O-N 2.86Å; K16-L19 VanDerWaalsContact O-CB 3.3Å; K16-L19 WeakPolarHBondContact O-CB 3.49Å; K16-L19 PolarHBondContact O-N 2.89Å; K16-L20 WeakPolarHBondContact O-CG 2.92Å; K16-L20 PolarHBondContact O-N 2.82Å; K16-L20 VanDerWaalsContact O-N 3.1Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; K16-C81 HydrophobicContact CG-CB 4.02Å
17	T	95.8	Very high	95.3	Very high	27 Å²	27	30.6 Å²	30.6	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-43.2	179	-44.4	0	0	0	0	111.7	G15 L19 L20 I21 T35 D57	G15-T17 PolarHBondContact O-N 2.91Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 2.82Å; T17-L20 PolarHBondContact O-N 3.07Å; T17-I21 HydrophobicContact CG2-CD1 3.76Å; T17-I21 HydrophobicContact CG2-CG1 4.39Å; T17-I21 WeakPolarHBondContact O-CB 3.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.17Å; T17-I21 PolarHBondContact O-N 2.73Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.46Å; T17-T35 PolarHBondContact OG1-OG1 2.79Å; T17-D57 WeakPolarHBondContact CA-OD2 3.36Å; T17-D57 VanDerWaalsContact CB-OD2 3.27Å; T17-D57 WeakPolarHBondContact CB-OD2 3.47Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.37Å; T17-D57 PolarHBondContact OG1-OD2 2.96Å
18	C	95.8	Very high	94.8	Very high	20 Å²	20	35 Å²	35	14%	0.135	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-38.6	176.6	-57.1	0	0	0	0	112.2	G15 K16 S22 F28 P29 A159	G15-C18 PolarHBondContact O-N 2.83Å; K16-C18 PolarHBondContact O-N 2.86Å; C18-S22 WeakPolarHBondContact O-CB 3.46Å; C18-S22 PolarHBondContact O-N 3.49Å; C18-F28 HydrophobicContact CB-CD2 4.39Å; C18-F28 HydrophobicContact CB-CE2 3.71Å; C18-F28 HydrophobicContact CB-CZ 4.19Å; C18-P29 HydrophobicContact CB-CG 4.26Å; C18-A159 HydrophobicContact CB-CB 4Å
19	L	96.4	Very high	94.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-51.7	174.2	176.2	80.6	0	0	0	110.4	G15 K16 T17 Y23 L79 C157 L165 V168 F169	G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 PolarHBondContact O-N 2.84Å; K16-L19 VanDerWaalsContact O-CB 3.3Å; K16-L19 WeakPolarHBondContact O-CB 3.49Å; K16-L19 PolarHBondContact O-N 2.89Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 2.82Å; L19-Y23 WeakPolarHBondContact O-CB 3.36Å; L19-Y23 PolarHBondContact O-N 2.74Å; L19-Y23 VanDerWaalsContact O-N 3.09Å; L19-L79 HydrophobicContact CD2-CD1 4.17Å; L19-C157 HydrophobicContact CD1-CB 4.49Å; L19-C157 WeakPolarHBondContact CD1-SG 3.35Å; L19-L165 HydrophobicContact CD1-CD1 3.35Å; L19-L165 HydrophobicContact CG-CD1 4.18Å; L19-V168 HydrophobicContact CD2-CG1 4.47Å; L19-F169 HydrophobicContact CD1-CE2 4.25Å; L19-F169 HydrophobicContact CD1-CZ 4.47Å; L19-F169 HydrophobicContact CD2-CZ 4.22Å; L19-F169 HydrophobicContact CG-CE2 4.16Å; L19-F169 HydrophobicContact CG-CZ 3.9Å
20	L	95.8	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-47.1	-177.9	-63	-179.4	0	0	0	112.3	V8 K16 T17 Y23 T24 Y40 L55 D57 F169	V8-L20 HydrophobicContact CG2-CD1 4Å; V8-L20 HydrophobicContact CG2-CD2 3.7Å; V8-L20 HydrophobicContact CG2-CG 4.18Å; K16-L20 WeakPolarHBondContact O-CG 2.92Å; K16-L20 PolarHBondContact O-N 2.82Å; K16-L20 VanDerWaalsContact O-N 3.1Å; T17-L20 PolarHBondContact O-N 3.07Å; L20-Y23 PolarHBondContact O-N 3Å; L20-T24 WeakPolarHBondContact O-CG2 3.47Å; L20-T24 PolarHBondContact O-N 3.22Å; L20-T24 PolarHBondContact O-OG1 3.3Å; L20-Y40 HydrophobicContact CB-CD2 4.29Å; L20-Y40 HydrophobicContact CB-CE2 4.33Å; L20-Y40 HydrophobicContact CD1-CD2 4.28Å; L20-Y40 HydrophobicContact CD1-CE2 4.34Å; L20-L55 HydrophobicContact CD2-CB 3.98Å; L20-L55 HydrophobicContact CD2-CD1 4.12Å; L20-L55 HydrophobicContact CD2-CD2 4.07Å; L20-L55 HydrophobicContact CD2-CG 4.27Å; L20-D57 HydrophobicContact CD1-CB 3.46Å; L20-D57 VanDerWaalsContact CD1-CB 3.46Å; L20-F169 HydrophobicContact CD2-CE1 3.79Å; L20-F169 HydrophobicContact CD2-CZ 3.84Å
21	I	93.3	Very high	92.1	Very high	37 Å²	37	49.7 Å²	49.7	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-45.5	179.3	-68.1	175.2	0	0	0	110.5	T17 Y23 T24 T25 P29 Y40	T17-I21 HydrophobicContact CG2-CD1 3.76Å; T17-I21 HydrophobicContact CG2-CG1 4.39Å; T17-I21 WeakPolarHBondContact O-CB 3.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.17Å; T17-I21 PolarHBondContact O-N 2.73Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.4Å; I21-T24 PolarHBondContact O-N 2.75Å; I21-T24 PolarHBondContact O-OG1 3.04Å; I21-T25 HydrophobicContact CG2-CG2 4.32Å; I21-T25 WeakPolarHBondContact O-CB 3.41Å; I21-T25 PolarHBondContact O-N 3.31Å; I21-T25 PolarHBondContact O-OG1 3.04Å; I21-P29 HydrophobicContact CD1-CB 4.31Å; I21-P29 HydrophobicContact CD1-CG 4.45Å; I21-P29 HydrophobicContact CG2-CB 4.32Å; I21-P29 HydrophobicContact CG2-CG 4.45Å; I21-Y40 HydrophobicContact CG1-CE1 4.25Å
22	S	94.8	Very high	90.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-34.9	-180	-173.9	0	0	0	0	112.2	C18 N26 K27 A159 L165	C18-S22 WeakPolarHBondContact O-CB 3.46Å; C18-S22 PolarHBondContact O-N 3.49Å; S22-N26 VanDerWaalsContact O-CA 3.24Å; S22-N26 WeakPolarHBondContact O-CA 3.48Å; S22-N26 PolarHBondContact O-N 3.32Å; S22-K27 VanDerWaalsContact CA-O 3.25Å; S22-K27 WeakPolarHBondContact CA-O 3.33Å; S22-A159 PolarHBondContact OG-O 3.07Å; S22-A159 VanDerWaalsContact OG-O 3.11Å; S22-L165 VanDerWaalsContact OG-CD2 3.3Å; S22-L165 WeakPolarHBondContact OG-CD2 3.26Å
23	Y	94.8	Very high	90.1	Very high	36 Å²	36	58.6 Å²	58.6	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-71.6	-42.2	178.2	174.8	-112.6	0	0	0	112	L19 L20 I21 V42 L53 L55 F169	L19-Y23 WeakPolarHBondContact O-CB 3.36Å; L19-Y23 PolarHBondContact O-N 2.74Å; L19-Y23 VanDerWaalsContact O-N 3.09Å; L20-Y23 PolarHBondContact O-N 3Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.4Å; Y23-V42 HydrophobicContact CE1-CG2 3.72Å; Y23-L53 HydrophobicContact CE1-CD2 4.09Å; Y23-L55 HydrophobicContact CD1-CD1 3.93Å; Y23-L55 HydrophobicContact CE1-CD1 4.22Å; Y23-F169 AromaticContact CD1-CD1 3.98Å; Y23-F169 HydrophobicContact CD1-CD1 3.98Å; Y23-F169 AromaticContact CD1-CD2 3.68Å; Y23-F169 HydrophobicContact CD1-CD2 3.68Å; Y23-F169 AromaticContact CD1-CE1 3.96Å; Y23-F169 HydrophobicContact CD1-CE1 3.96Å; Y23-F169 AromaticContact CD1-CE2 3.68Å; Y23-F169 HydrophobicContact CD1-CE2 3.68Å; Y23-F169 AromaticContact CD1-CG 3.83Å; Y23-F169 HydrophobicContact CD1-CG 3.83Å; Y23-F169 AromaticContact CD1-CZ 3.79Å; Y23-F169 HydrophobicContact CD1-CZ 3.79Å; Y23-F169 HydrophobicContact CD2-CB 4.48Å; Y23-F169 AromaticContact CD2-CD2 3.29Å; Y23-F169 HydrophobicContact CD2-CD2 3.29Å; Y23-F169 AromaticContact CD2-CE2 3.66Å; Y23-F169 HydrophobicContact CD2-CE2 3.66Å; Y23-F169 AromaticContact CD2-CG 4Å; Y23-F169 HydrophobicContact CD2-CG 4Å; Y23-F169 HydrophobicContact CE1-CB 4.05Å; Y23-F169 AromaticContact CE1-CD1 3.91Å; Y23-F169 HydrophobicContact CE1-CD1 3.91Å; Y23-F169 AromaticContact CE1-CD2 3.92Å; Y23-F169 HydrophobicContact CE1-CD2 3.92Å; Y23-F169 HydrophobicContact CE1-CE1 4.33Å; Y23-F169 HydrophobicContact CE1-CE2 4.36Å; Y23-F169 AromaticContact CE1-CG 3.66Å; Y23-F169 HydrophobicContact CE1-CG 3.66Å; Y23-F169 HydrophobicContact CE2-CB 3.86Å; Y23-F169 AromaticContact CE2-CD2 3.56Å; Y23-F169 HydrophobicContact CE2-CD2 3.56Å; Y23-F169 HydrophobicContact CE2-CE2 4.35Å; Y23-F169 AromaticContact CE2-CG 3.85Å; Y23-F169 HydrophobicContact CE2-CG 3.85Å; Y23-F169 HydrophobicContact CG-CD1 4.48Å; Y23-F169 AromaticContact CG-CD2 3.34Å; Y23-F169 HydrophobicContact CG-CD2 3.34Å; Y23-F169 HydrophobicContact CG-CE1 4.39Å; Y23-F169 AromaticContact CG-CE2 3.26Å; Y23-F169 HydrophobicContact CG-CE2 3.26Å; Y23-F169 AromaticContact CG-CG 3.98Å; Y23-F169 HydrophobicContact CG-CG 3.98Å; Y23-F169 AromaticContact CG-CZ 3.8Å; Y23-F169 HydrophobicContact CG-CZ 3.8Å; Y23-F169 AromaticContact CZ-CD2 3.87Å; Y23-F169 AromaticContact CZ-CG 3.68Å
24	T	92.1	Very high	89.2	Confident	37 Å²	37	59 Å²	59	23%	0.227	32%	0.315	C	S	.	.	H	α-helix	trans	-78.7	-28	-176.7	55.9	0	0	0	0	113.6	L20 I21 V42 L55	L20-T24 WeakPolarHBondContact O-CG2 3.47Å; L20-T24 PolarHBondContact O-N 3.22Å; L20-T24 PolarHBondContact O-OG1 3.3Å; I21-T24 PolarHBondContact O-N 2.75Å; I21-T24 PolarHBondContact O-OG1 3.04Å; T24-V42 HydrophobicContact CG2-CG1 3.52Å; T24-L55 HydrophobicContact CG2-CD1 3.65Å
25	T	90.8	Very high	88.5	Confident	70 Å²	70	59.6 Å²	59.6	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-113.7	-6.2	-173.7	70	0	0	0	0	114.6	I21 K27	I21-T25 HydrophobicContact CG2-CG2 4.32Å; I21-T25 WeakPolarHBondContact O-CB 3.41Å; I21-T25 PolarHBondContact O-N 3.31Å; I21-T25 PolarHBondContact O-OG1 3.04Å; T25-K27 PolarHBondContact O-N 2.97Å; T25-K27 PolarHBondContact OG1-N 2.99Å; T25-K27 PolarHBondContact OG1-O 2.9Å
26	N	89.4	Confident	87.5	Confident	118 Å²	118	62.1 Å²	62.1	63%	0.631	33%	0.331	S	S	*	.	S	Bend	trans	54.1	25.9	-169.3	-63.5	-57	0	0	0	113.6	S22 Q162	S22-N26 VanDerWaalsContact O-CA 3.24Å; S22-N26 WeakPolarHBondContact O-CA 3.48Å; S22-N26 PolarHBondContact O-N 3.32Å; N26-Q162 PolarHBondContact O-NE2 3.34Å
27	K	88	Confident	86.1	Confident	152 Å²	152	64.7 Å²	64.7	66%	0.661	34%	0.342	S	S	*	.	S	Bend	trans	-138.2	140.8	179.1	-67	-178.4	-178.6	179.5	0	111.2	S22 T25	S22-K27 VanDerWaalsContact CA-O 3.25Å; S22-K27 WeakPolarHBondContact CA-O 3.33Å; T25-K27 PolarHBondContact O-N 2.97Å; T25-K27 PolarHBondContact OG1-N 2.99Å; T25-K27 PolarHBondContact OG1-O 2.9Å
28	F	87.4	Confident	85.5	Confident	93 Å²	93	67.1 Å²	67.1	41%	0.408	35%	0.354	S	S	.	.			trans	-76.3	135.8	169.9	-167.2	-97.1	0	0	0	110	C18 A159 L160	C18-F28 HydrophobicContact CB-CD2 4.39Å; C18-F28 HydrophobicContact CB-CE2 3.71Å; C18-F28 HydrophobicContact CB-CZ 4.19Å; F28-A159 HydrophobicContact CD2-CB 4.07Å; F28-A159 HydrophobicContact CE2-CB 3.96Å; F28-L160 HydrophobicContact CB-CD1 4.33Å; F28-L160 HydrophobicContact CD1-CD1 3.95Å; F28-L160 VanDerWaalsContact CD2-CA 3.46Å; F28-L160 HydrophobicContact CD2-CB 4.07Å; F28-L160 HydrophobicContact CD2-CD1 4.25Å; F28-L160 HydrophobicContact CE1-CD1 4.31Å; F28-L160 HydrophobicContact CE2-CB 4.06Å; F28-L160 HydrophobicContact CG-CD1 3.91Å
29	P	84.8	Confident	85	Confident	30 Å²	30	71.2 Å²	71.2	20%	0.195	38%	0.375	C	S	.	.			trans	-65.6	135.3	179.1	26.2	-33.5	0	0	0	111.3	C18 I21	C18-P29 HydrophobicContact CB-CG 4.26Å; I21-P29 HydrophobicContact CD1-CB 4.31Å; I21-P29 HydrophobicContact CD1-CG 4.45Å; I21-P29 HydrophobicContact CG2-CB 4.32Å; I21-P29 HydrophobicContact CG2-CG 4.45Å
30	S	76.9	Confident	84.6	Confident	124 Å²	124	73.8 Å²	73.8	87%	0.867	39%	0.385	S	S	*	.	S	Bend	trans	-79.1	-21.2	-179.4	52.5	0	0	0	0	113.8
31	E	78.4	Confident	84.4	Confident	153 Å²	153	77.3 Å²	77.3	72%	0.715	41%	0.414	S	S	*	.	S	Bend	trans	-125.1	138.7	-178.8	-65.8	-177.1	-174.8	0	0	110.3
32	Y	71.9	Confident	84.3	Confident	141 Å²	141	76.9 Å²	76.9	55%	0.553	41%	0.413	S	S	*	.			trans	-88.8	111.1	173.6	178.2	-107.3	0	0	0	109.9	P34	Y32-P34 HydrophobicContact CD1-CG 4.46Å; Y32-P34 HydrophobicContact CE1-CG 3.83Å
33	V	78	Confident	84.2	Confident	101 Å²	101	81.5 Å²	81.5	61%	0.612	44%	0.441	S	S	*	.			trans	-113.7	119.4	170.8	-177.8	0	0	0	0	107.8	T35	V33-T35 PolarHBondContact O-N 3.32Å
34	P	77.5	Confident	84.1	Confident	71 Å²	71	80.8 Å²	80.8	46%	0.461	44%	0.44	S	S	.	.			trans	-60.9	125	176.3	-22.9	32.4	0	0	0	112.1	Y32	Y32-P34 HydrophobicContact CD1-CG 4.46Å; Y32-P34 HydrophobicContact CE1-CG 3.83Å
35	T	82.1	Confident	83.9	Confident	15 Å²	15	85 Å²	85	9%	0.092	46%	0.459	C	S	.	.			trans	-74.5	137.7	178	-57.2	0	0	0	0	112.1	T17 V33 D38 D57 A59	T17-T35 WeakPolarHBondContact CG2-OG1 3.46Å; T17-T35 PolarHBondContact OG1-OG1 2.79Å; V33-T35 PolarHBondContact O-N 3.32Å; T35-D38 HydrophobicContact CG2-CB 4.49Å; T35-D57 WeakPolarHBondContact CB-OD2 3.43Å; T35-D57 HydrophobicContact CG2-CB 4.05Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.35Å; T35-D57 PolarHBondContact OG1-OD2 2.88Å; T35-A59 VanDerWaalsContact O-CB 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.24Å
36	V	75.3	Confident	83.7	Confident	69 Å²	69	83.6 Å²	83.6	42%	0.418	45%	0.449	S	S	.	.	S	Bend	trans	-92.9	-64.1	162.1	-179	0	0	0	0	108.9	A59 Y64	V36-A59 WeakPolarHBondContact O-CB 3.24Å; V36-A59 PolarHBondContact O-N 3.31Å; V36-Y64 HydrophobicContact CB-CE1 4.35Å; V36-Y64 HydrophobicContact CG1-CD1 4.06Å; V36-Y64 HydrophobicContact CG1-CE1 3.65Å; V36-Y64 HydrophobicContact CG2-CE1 4.06Å
37	F	67.8	Low	83.5	Confident	63 Å²	63	82.2 Å²	82.2	28%	0.276	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	142	166.2	-69.7	-76.6	0	0	0	109.4	T58 L67 S71	F37-T58 HydrophobicContact CD1-CG2 4.32Å; F37-T58 HydrophobicContact CE1-CG2 4.09Å; F37-L67 HydrophobicContact CE2-CB 3.88Å; F37-L67 HydrophobicContact CZ-CB 4.03Å; F37-S71 WeakPolarHBondContact CD1-OG 3.12Å; F37-S71 VanDerWaalsContact CE1-OG 3.26Å; F37-S71 WeakPolarHBondContact CE1-OG 3.3Å
38	D	83.4	Confident	83.4	Confident	79 Å²	79	77.7 Å²	77.7	42%	0.422	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.7	169	-95.3	-46.5	0	0	0	110.6	T35 Y40 D57	T35-D38 HydrophobicContact CG2-CB 4.49Å; D38-Y40 HydrophobicContact CB-CE2 3.66Å; D38-D57 HydrophobicContact CB-CB 4.27Å; D38-D57 PolarHBondContact N-O 3.09Å; D38-D57 PolarHBondContact O-N 2.89Å
39	N	85.8	Confident	83.5	Confident	105 Å²	105	79.3 Å²	79.3	56%	0.561	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.2	177.9	-63.6	-37.6	0	0	0	109.8	L55 F56	N39-L55 CarbonylContact C-O 3.59Å; N39-L55 WeakPolarHBondContact CA-O 3.38Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.13Å; N39-F56 WeakPolarHBondContact OD1-CE1 3.34Å; N39-F56 WeakPolarHBondContact OD1-CG 3.25Å
40	Y	88.6	Confident	83.9	Confident	56 Å²	56	80.5 Å²	80.5	22%	0.22	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.1	173.8	-50.1	-98.1	0	0	0	109.4	L20 I21 D38 L55 D57	L20-Y40 HydrophobicContact CB-CD2 4.29Å; L20-Y40 HydrophobicContact CB-CE2 4.33Å; L20-Y40 HydrophobicContact CD1-CD2 4.28Å; L20-Y40 HydrophobicContact CD1-CE2 4.34Å; I21-Y40 HydrophobicContact CG1-CE1 4.25Å; D38-Y40 HydrophobicContact CB-CE2 3.66Å; Y40-L55 PolarHBondContact N-O 3.21Å; Y40-L55 PolarHBondContact O-N 3.42Å; Y40-D57 HydrophobicContact CE2-CB 4.35Å
41	A	90.9	Very high	84.6	Confident	73 Å²	73	76.1 Å²	76.1	60%	0.603	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.6	173.9	0	0	0	0	0	109.6	T52 L53	A41-T52 HydrophobicContact CB-CG2 4.22Å; A41-L53 WeakPolarHBondContact CA-O 3.39Å
42	V	92.6	Very high	85.4	Confident	29 Å²	29	70.2 Å²	70.2	18%	0.176	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.6	172.3	-64.1	0	0	0	0	110.3	Y23 T24 V44 L53	Y23-V42 HydrophobicContact CE1-CG2 3.72Å; T24-V42 HydrophobicContact CG2-CG1 3.52Å; V42-V44 HydrophobicContact CG2-CG1 4.15Å; V42-L53 HydrophobicContact CG2-CB 3.97Å; V42-L53 HydrophobicContact CG2-CD2 4.29Å; V42-L53 PolarHBondContact N-O 3.08Å; V42-L53 VanDerWaalsContact N-O 3.07Å; V42-L53 PolarHBondContact O-N 3.27Å
43	T	92.6	Very high	86.6	Confident	96 Å²	96	63.5 Å²	63.5	59%	0.589	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.8	171.9	-56.1	0	0	0	0	109.4	M1 P50 Y51	M1-T43 HydrophobicContact CE-CG2 3.8Å; T43-P50 HydrophobicContact CG2-CB 4.18Å; T43-Y51 WeakPolarHBondContact CA-O 3.42Å
44	V	91	Very high	87.5	Confident	21 Å²	21	59.1 Å²	59.1	13%	0.127	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147	178	-62.6	0	0	0	0	109.9	V42 I46 Y51 L53 I173	V42-V44 HydrophobicContact CG2-CG1 4.15Å; V44-I46 HydrophobicContact CG2-CD1 4.24Å; V44-I46 HydrophobicContact CG2-CG1 4.27Å; V44-Y51 PolarHBondContact N-O 2.68Å; V44-Y51 PolarHBondContact O-N 3.1Å; V44-L53 HydrophobicContact CG2-CB 4.48Å; V44-I173 HydrophobicContact CB-CD1 4.42Å; V44-I173 HydrophobicContact CG1-CD1 4.4Å; V44-I173 HydrophobicContact CG2-CD1 3.88Å
45	M	89.8	Confident	88.4	Confident	127 Å²	127	55.7 Å²	55.7	63%	0.626	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	122.7	178.3	-62.7	-59.8	-66.3	0	0	109.7	G48 E49 P50	M45-G48 WeakPolarHBondContact CE-O 3.42Å; M45-E49 WeakPolarHBondContact CA-O 3.21Å; M45-P50 HydrophobicContact SD-CB 3.94Å
46	I	85.6	Confident	89.1	Confident	40 Å²	40	57.2 Å²	57.2	21%	0.205	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.7	-179.9	-51.9	173.5	0	0	0	107.9	I4 V44 G48 E49 Y51 I173 L177	I4-I46 HydrophobicContact CD1-CD1 4.2Å; V44-I46 HydrophobicContact CG2-CD1 4.24Å; V44-I46 HydrophobicContact CG2-CG1 4.27Å; I46-G48 PolarHBondContact O-N 3.27Å; I46-G48 VanDerWaalsContact O-N 3.1Å; I46-E49 PolarHBondContact N-O 3.32Å; I46-E49 PolarHBondContact O-N 3.01Å; I46-Y51 HydrophobicContact CB-CD2 3.82Å; I46-Y51 HydrophobicContact CB-CE2 3.91Å; I46-Y51 HydrophobicContact CD1-CD1 4.04Å; I46-Y51 HydrophobicContact CD1-CD2 3.65Å; I46-Y51 HydrophobicContact CD1-CE1 4.48Å; I46-Y51 HydrophobicContact CD1-CE2 4.16Å; I46-Y51 HydrophobicContact CD1-CG 3.6Å; I46-Y51 HydrophobicContact CG1-CD2 3.9Å; I46-Y51 HydrophobicContact CG1-CE2 4.43Å; I46-Y51 HydrophobicContact CG1-CG 4.28Å; I46-I173 HydrophobicContact CD1-CG2 3.22Å; I46-I173 HydrophobicContact CG1-CG2 4.11Å; I46-L177 HydrophobicContact CD1-CD1 3.74Å; I46-L177 HydrophobicContact CG2-CD1 3.93Å
47	G	84.8	Confident	90.1	Very high	89 Å²	89	54 Å²	54	92%	0.918	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	23.2	-177.6	0	0	0	0	0	114.2	E49	G47-E49 VanDerWaalsContact C-N 3.34Å
48	G	87.3	Confident	91.4	Very high	56 Å²	56	51 Å²	51	58%	0.577	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-5.5	-174.9	0	0	0	0	0	114.9	M45 I46	M45-G48 WeakPolarHBondContact CE-O 3.42Å; I46-G48 PolarHBondContact O-N 3.27Å; I46-G48 VanDerWaalsContact O-N 3.1Å
49	E	89	Confident	91.9	Very high	127 Å²	127	47.3 Å²	47.3	59%	0.593	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.8	177.9	-68.4	-62.5	141	0	0	111.7	M45 I46 G47 Y51	M45-E49 WeakPolarHBondContact CA-O 3.21Å; I46-E49 PolarHBondContact N-O 3.32Å; I46-E49 PolarHBondContact O-N 3.01Å; G47-E49 VanDerWaalsContact C-N 3.34Å; E49-Y51 HydrophobicContact CB-CD2 4.47Å; E49-Y51 HydrophobicContact CB-CE2 3.96Å; E49-Y51 WeakPolarHBondContact O-CD2 3.36Å
50	P	92	Very high	92.1	Very high	56 Å²	56	42.7 Å²	42.7	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.3	178.5	31.5	-33.1	0	0	0	112.2	T43 M45	T43-P50 HydrophobicContact CG2-CB 4.18Å; M45-P50 HydrophobicContact SD-CB 3.94Å
51	Y	93.3	Very high	92.2	Very high	31 Å²	31	42.9 Å²	42.9	12%	0.122	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.3	174.7	-77.2	-108.4	0	0	0	110.8	Q2 I4 T43 V44 I46 E49 L177	Q2-Y51 HydrophobicContact CB-CD1 3.61Å; Q2-Y51 HydrophobicContact CB-CE1 3.43Å; Q2-Y51 VanDerWaalsContact CB-CE1 3.43Å; Q2-Y51 HydrophobicContact CB-CG 4.49Å; Q2-Y51 HydrophobicContact CG-CE1 4.15Å; Q2-Y51 WeakPolarHBondContact O-CA 3.45Å; Q2-Y51 PolarHBondContact OE1-OH 2.87Å; I4-Y51 HydrophobicContact CD1-CD1 3.93Å; I4-Y51 HydrophobicContact CG1-CD1 4.18Å; T43-Y51 WeakPolarHBondContact CA-O 3.42Å; V44-Y51 PolarHBondContact N-O 2.68Å; V44-Y51 PolarHBondContact O-N 3.1Å; I46-Y51 HydrophobicContact CB-CD2 3.82Å; I46-Y51 HydrophobicContact CB-CE2 3.91Å; I46-Y51 HydrophobicContact CD1-CD1 4.04Å; I46-Y51 HydrophobicContact CD1-CD2 3.65Å; I46-Y51 HydrophobicContact CD1-CE1 4.48Å; I46-Y51 HydrophobicContact CD1-CE2 4.16Å; I46-Y51 HydrophobicContact CD1-CG 3.6Å; I46-Y51 HydrophobicContact CG1-CD2 3.9Å; I46-Y51 HydrophobicContact CG1-CE2 4.43Å; I46-Y51 HydrophobicContact CG1-CG 4.28Å; E49-Y51 HydrophobicContact CB-CD2 4.47Å; E49-Y51 HydrophobicContact CB-CE2 3.96Å; E49-Y51 WeakPolarHBondContact O-CD2 3.36Å; Y51-L177 HydrophobicContact CE1-CD2 3.86Å
52	T	95.2	Very high	92.1	Very high	29 Å²	29	46.4 Å²	46.4	18%	0.178	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.9	167.3	-60.1	0	0	0	0	108.8	M1 Q2 T3 I4 A41	M1-T52 WeakPolarHBondContact CE-OG1 2.97Å; M1-T52 PolarHBondContact SD-OG1 3.31Å; Q2-T52 PolarHBondContact O-N 2.8Å; T3-T52 CarbonylContact C-O 3.54Å; T3-T52 VanDerWaalsContact CA-O 3.3Å; T3-T52 WeakPolarHBondContact CA-O 3.38Å; T3-T52 HydrophobicContact CG2-CG2 4.33Å; I4-T52 PolarHBondContact N-O 3.49Å; A41-T52 HydrophobicContact CB-CG2 4.22Å
53	L	95.9	Very high	92.1	Very high	1 Å²	1	52 Å²	52	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107	167.6	-178.2	63.9	0	0	0	108.8	I4 C6 Y23 A41 V42 V44 L55 F169 I173	I4-L53 HydrophobicContact CB-CD1 4.05Å; I4-L53 HydrophobicContact CG2-CD1 3.88Å; C6-L53 HydrophobicContact CB-CD1 3.92Å; Y23-L53 HydrophobicContact CE1-CD2 4.09Å; A41-L53 WeakPolarHBondContact CA-O 3.39Å; V42-L53 HydrophobicContact CG2-CB 3.97Å; V42-L53 HydrophobicContact CG2-CD2 4.29Å; V42-L53 PolarHBondContact N-O 3.08Å; V42-L53 VanDerWaalsContact N-O 3.07Å; V42-L53 PolarHBondContact O-N 3.27Å; V44-L53 HydrophobicContact CG2-CB 4.48Å; L53-L55 HydrophobicContact CD1-CD2 4.35Å; L53-L55 HydrophobicContact CD2-CD2 3.79Å; L53-L55 HydrophobicContact CD2-CG 4.43Å; L53-L55 HydrophobicContact CG-CD2 3.76Å; L53-L55 HydrophobicContact CG-CG 4.19Å; L53-F169 HydrophobicContact CD2-CB 4.33Å; L53-F169 HydrophobicContact CD2-CD1 4.06Å; L53-I173 HydrophobicContact CD1-CG1 4.25Å; L53-I173 HydrophobicContact CD2-CD1 4.2Å; L53-I173 HydrophobicContact CD2-CG1 4.33Å
54	G	97.2	Very high	92.1	Very high	8 Å²	8	50.5 Å²	50.5	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120	171.6	0	0	0	0	0	110.4	I4 C6	I4-G54 PolarHBondContact O-N 3.24Å; C6-G54 PolarHBondContact N-O 2.95Å
55	L	96.7	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.9	-176	-59.6	169.3	0	0	0	109.1	C6 L20 Y23 T24 N39 Y40 L53 F169	C6-L55 HydrophobicContact CB-CD2 4.07Å; C6-L55 WeakPolarHBondContact O-CA 3.27Å; L20-L55 HydrophobicContact CD2-CB 3.98Å; L20-L55 HydrophobicContact CD2-CD1 4.12Å; L20-L55 HydrophobicContact CD2-CD2 4.07Å; L20-L55 HydrophobicContact CD2-CG 4.27Å; Y23-L55 HydrophobicContact CD1-CD1 3.93Å; Y23-L55 HydrophobicContact CE1-CD1 4.22Å; T24-L55 HydrophobicContact CG2-CD1 3.65Å; N39-L55 CarbonylContact C-O 3.59Å; N39-L55 WeakPolarHBondContact CA-O 3.38Å; Y40-L55 PolarHBondContact N-O 3.21Å; Y40-L55 PolarHBondContact O-N 3.42Å; L53-L55 HydrophobicContact CD1-CD2 4.35Å; L53-L55 HydrophobicContact CD2-CD2 3.79Å; L53-L55 HydrophobicContact CD2-CG 4.43Å; L53-L55 HydrophobicContact CG-CD2 3.76Å; L53-L55 HydrophobicContact CG-CG 4.19Å; L55-F169 HydrophobicContact CD1-CE1 4.32Å; L55-F169 HydrophobicContact CD2-CD1 3.86Å; L55-F169 HydrophobicContact CD2-CE1 3.58Å
56	F	96.9	Very high	92.4	Very high	47 Å²	47	57.2 Å²	57.2	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.1	-176.7	-70.3	-111	0	0	0	108.7	K5 C6 V7 V8 N39	K5-F56 HydrophobicContact CB-CE2 4.4Å; K5-F56 HydrophobicContact CD-CD2 4.23Å; K5-F56 HydrophobicContact CD-CE1 4.46Å; K5-F56 HydrophobicContact CD-CE2 3.79Å; K5-F56 HydrophobicContact CD-CZ 3.92Å; K5-F56 HydrophobicContact CG-CD2 3.77Å; K5-F56 HydrophobicContact CG-CE2 3.57Å; K5-F56 HydrophobicContact CG-CZ 4.23Å; C6-F56 PolarHBondContact O-N 3.48Å; V7-F56 HydrophobicContact CB-CB 4.38Å; V7-F56 HydrophobicContact CG1-CB 4.46Å; V7-F56 HydrophobicContact CG2-CB 3.88Å; V7-F56 HydrophobicContact CG2-CG 4.27Å; V8-F56 PolarHBondContact N-O 2.64Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.13Å; N39-F56 WeakPolarHBondContact OD1-CE1 3.34Å; N39-F56 WeakPolarHBondContact OD1-CG 3.25Å
57	D	95.9	Very high	92.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.5	174.4	-160.8	12.3	0	0	0	110	T17 L20 T35 D38 Y40	T17-D57 WeakPolarHBondContact CA-OD2 3.36Å; T17-D57 VanDerWaalsContact CB-OD2 3.27Å; T17-D57 WeakPolarHBondContact CB-OD2 3.47Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.37Å; T17-D57 PolarHBondContact OG1-OD2 2.96Å; L20-D57 HydrophobicContact CD1-CB 3.46Å; L20-D57 VanDerWaalsContact CD1-CB 3.46Å; T35-D57 WeakPolarHBondContact CB-OD2 3.43Å; T35-D57 HydrophobicContact CG2-CB 4.05Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.35Å; T35-D57 PolarHBondContact OG1-OD2 2.88Å; D38-D57 HydrophobicContact CB-CB 4.27Å; D38-D57 PolarHBondContact N-O 3.09Å; D38-D57 PolarHBondContact O-N 2.89Å; Y40-D57 HydrophobicContact CE2-CB 4.35Å
58	T	95.9	Very high	93.3	Very high	1 Å²	1	55 Å²	55	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146	-178.6	73.2	0	0	0	0	112.5	V7 V8 K16 F37 G60 R68	V7-T58 HydrophobicContact CG1-CG2 3.86Å; V8-T58 WeakPolarHBondContact O-CB 3.12Å; V8-T58 PolarHBondContact O-OG1 3.32Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; F37-T58 HydrophobicContact CD1-CG2 4.32Å; F37-T58 HydrophobicContact CE1-CG2 4.09Å; T58-G60 PolarHBondContact O-N 3.19Å; T58-R68 HydrophobicContact CG2-CG 4.16Å
59	A	92.6	Very high	93.8	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.017	26%	0.258	C	S	.	.			trans	-61.9	133.3	172.8	0	0	0	0	0	111.9	T35 V36 Y64 R68	T35-A59 VanDerWaalsContact O-CB 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.24Å; V36-A59 WeakPolarHBondContact O-CB 3.24Å; V36-A59 PolarHBondContact O-N 3.31Å; A59-Y64 HydrophobicContact CB-CD1 4.25Å; A59-Y64 HydrophobicContact CB-CD2 3.43Å; A59-Y64 VanDerWaalsContact CB-CD2 3.43Å; A59-Y64 HydrophobicContact CB-CE2 4.15Å; A59-Y64 HydrophobicContact CB-CG 3.49Å; A59-Y64 VanDerWaalsContact CB-CG 3.49Å; A59-R68 PolarHBondContact O-NE 3.12Å; A59-R68 PolarHBondContact O-NH2 3.11Å
60	G	90.9	Very high	94.1	Very high	8 Å²	8	53.6 Å²	53.6	8%	0.082	26%	0.262	C	S	.	.			trans	-91.8	-8.8	178	0	0	0	0	0	114.6	G10 T58	G10-G60 WeakPolarHBondContact O-CA 3.4Å; T58-G60 PolarHBondContact O-N 3.19Å
61	Q	90.3	Very high	94.3	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	25%	0.25	S	S	.	.	S	Bend	trans	-79	150.5	179.7	-52.1	88.6	-18.7	0	0	111.4	D63 Y64 R68	Q61-D63 VanDerWaalsContact C-N 3.25Å; Q61-D63 PolarHBondContact O-N 3.07Å; Q61-Y64 HydrophobicContact CB-CD2 4.08Å; Q61-Y64 HydrophobicContact CB-CE2 4.43Å; Q61-Y64 PolarHBondContact O-N 3.5Å; Q61-R68 PolarHBondContact O-NH2 3.48Å
62	E	89.3	Confident	94.5	Very high	146 Å²	146	50.3 Å²	50.3	68%	0.682	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63.7	-29.4	-179.9	-63.9	-176.7	168.7	0	0	113.1	Y64 D65	E62-Y64 PolarHBondContact O-N 2.94Å; E62-D65 VanDerWaalsContact O-CB 3.31Å; E62-D65 WeakPolarHBondContact O-CB 3.34Å; E62-D65 VanDerWaalsContact O-CG 3.28Å; E62-D65 PolarHBondContact O-N 2.96Å
63	D	93	Very high	94.6	Very high	146 Å²	146	52.6 Å²	52.6	78%	0.781	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-54.7	-23.1	176	-64.2	-34	0	0	0	112.9	Q61	Q61-D63 VanDerWaalsContact C-N 3.25Å; Q61-D63 PolarHBondContact O-N 3.07Å
64	Y	92.6	Very high	94.6	Very high	65 Å²	65	60.9 Å²	60.9	26%	0.255	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-104.4	6.2	-179	-58.4	-81.3	0	0	0	113.9	V36 A59 Q61 E62 R66 L67 R68	V36-Y64 HydrophobicContact CB-CE1 4.35Å; V36-Y64 HydrophobicContact CG1-CD1 4.06Å; V36-Y64 HydrophobicContact CG1-CE1 3.65Å; V36-Y64 HydrophobicContact CG2-CE1 4.06Å; A59-Y64 HydrophobicContact CB-CD1 4.25Å; A59-Y64 HydrophobicContact CB-CD2 3.43Å; A59-Y64 VanDerWaalsContact CB-CD2 3.43Å; A59-Y64 HydrophobicContact CB-CE2 4.15Å; A59-Y64 HydrophobicContact CB-CG 3.49Å; A59-Y64 VanDerWaalsContact CB-CG 3.49Å; Q61-Y64 HydrophobicContact CB-CD2 4.08Å; Q61-Y64 HydrophobicContact CB-CE2 4.43Å; Q61-Y64 PolarHBondContact O-N 3.5Å; E62-Y64 PolarHBondContact O-N 2.94Å; Y64-R66 PolarHBondContact O-N 3.1Å; Y64-R66 VanDerWaalsContact O-N 3.1Å; Y64-L67 HydrophobicContact CD1-CD1 4.14Å; Y64-L67 PolarHBondContact O-N 2.62Å; Y64-R68 PolarHBondContact O-N 3.43Å
65	D	93.3	Very high	94.6	Very high	54 Å²	54	60.9 Å²	60.9	29%	0.289	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.5	-176.9	-78.7	-8.3	0	0	0	113.2	E62 R68 P69 K96	E62-D65 VanDerWaalsContact O-CB 3.31Å; E62-D65 WeakPolarHBondContact O-CB 3.34Å; E62-D65 VanDerWaalsContact O-CG 3.28Å; E62-D65 PolarHBondContact O-N 2.96Å; D65-R68 IonicContact OD1-CZ 2.7Å; D65-R68 VanDerWaalsContact OD1-CZ 3.23Å; D65-R68 IonicContact OD1-NH1 2.81Å; D65-R68 PolarHBondContact OD1-NH1 3.21Å; D65-R68 IonicContact OD1-NH2 2.75Å; D65-R68 PolarHBondContact OD1-NH2 3.25Å; D65-P69 WeakPolarHBondContact O-CD 3.18Å; D65-K96 WeakPolarHBondContact OD1-CE 2.87Å; D65-K96 IonicContact OD1-NZ 3.65Å; D65-K96 PolarHBondContact OD1-NZ 2.88Å; D65-K96 IonicContact OD2-NZ 2.63Å; D65-K96 PolarHBondContact OD2-NZ 2.93Å
66	R	93.5	Very high	94.7	Very high	235 Å²	235	64 Å²	64	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.6	176.8	-64.7	-174.8	-179.3	-176.5	1	113.8	Y64	Y64-R66 PolarHBondContact O-N 3.1Å; Y64-R66 VanDerWaalsContact O-N 3.1Å
67	L	93.1	Very high	94.7	Very high	82 Å²	82	61.8 Å²	61.8	43%	0.429	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-34.2	-178.2	-66.1	177.5	0	0	0	111.4	F37 Y64 P69 L70	F37-L67 HydrophobicContact CE2-CB 3.88Å; F37-L67 HydrophobicContact CZ-CB 4.03Å; Y64-L67 HydrophobicContact CD1-CD1 4.14Å; Y64-L67 PolarHBondContact O-N 2.62Å; L67-P69 VanDerWaalsContact C-CD 3.48Å; L67-P69 VanDerWaalsContact C-N 3.34Å; L67-L70 HydrophobicContact CD2-CD1 4.08Å; L67-L70 VanDerWaalsContact O-CB 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.3Å; L67-L70 WeakPolarHBondContact O-CG 3.5Å; L67-L70 PolarHBondContact O-N 2.75Å
68	R	96.3	Very high	94.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-51.4	-44.9	-178.2	-159.2	-175.5	-52.9	106.3	6.5	113.6	T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100	T58-R68 HydrophobicContact CG2-CG 4.16Å; A59-R68 PolarHBondContact O-NE 3.12Å; A59-R68 PolarHBondContact O-NH2 3.11Å; Q61-R68 PolarHBondContact O-NH2 3.48Å; Y64-R68 PolarHBondContact O-N 3.43Å; D65-R68 IonicContact OD1-CZ 2.7Å; D65-R68 VanDerWaalsContact OD1-CZ 3.23Å; D65-R68 IonicContact OD1-NH1 2.81Å; D65-R68 PolarHBondContact OD1-NH1 3.21Å; D65-R68 IonicContact OD1-NH2 2.75Å; D65-R68 PolarHBondContact OD1-NH2 3.25Å; R68-L70 PolarHBondContact O-N 3.47Å; R68-S71 WeakPolarHBondContact O-CB 3.46Å; R68-S71 PolarHBondContact O-N 3.35Å; R68-Y72 WeakPolarHBondContact CD-OH 3.48Å; R68-Y72 HydrophobicContact CG-CE1 4.12Å; R68-Y72 WeakPolarHBondContact CG-OH 3.12Å; R68-W97 VanDerWaalsContact CZ-CZ3 3.46Å; R68-E100 WeakPolarHBondContact CD-OE1 3.28Å; R68-E100 IonicContact CZ-OE1 3.01Å; R68-E100 IonicContact NH1-OE1 2.91Å; R68-E100 PolarHBondContact NH1-OE1 3.01Å; R68-E100 IonicContact NH1-OE2 3.15Å; R68-E100 PolarHBondContact NH1-OE2 3.21Å
69	P	96.8	Very high	95	Very high	24 Å²	24	61.8 Å²	61.8	16%	0.156	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-63.9	-17.4	-178.5	-25	36.9	0	0	0	114.9	D65 L67 S71 Y72 P73	D65-P69 WeakPolarHBondContact O-CD 3.18Å; L67-P69 VanDerWaalsContact C-CD 3.48Å; L67-P69 VanDerWaalsContact C-N 3.34Å; P69-S71 PolarHBondContact O-N 3.15Å; P69-Y72 VanDerWaalsContact CA-CD2 3.49Å; P69-Y72 HydrophobicContact CB-CD2 3.93Å; P69-Y72 HydrophobicContact CB-CE2 4.07Å; P69-Y72 HydrophobicContact CG-CE2 4.18Å; P69-Y72 WeakPolarHBondContact O-CB 3.5Å; P69-Y72 PolarHBondContact O-N 3.19Å; P69-Y72 VanDerWaalsContact O-N 3.12Å; P69-P73 WeakPolarHBondContact O-CD 3.27Å
70	L	95.4	Very high	95.3	Very high	130 Å²	130	61.7 Å²	61.7	68%	0.681	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.9	174.5	-56.2	178.5	0	0	0	112.2	L67 R68 P73	L67-L70 HydrophobicContact CD2-CD1 4.08Å; L67-L70 VanDerWaalsContact O-CB 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.3Å; L67-L70 WeakPolarHBondContact O-CG 3.5Å; L67-L70 PolarHBondContact O-N 2.75Å; R68-L70 PolarHBondContact O-N 3.47Å; L70-P73 WeakPolarHBondContact O-CD 3.35Å
71	S	95.9	Very high	95.7	Very high	17 Å²	17	61.3 Å²	61.3	12%	0.119	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-85	-12.2	176	-64.5	0	0	0	0	113.8	K5 F37 R68 P69	K5-S71 WeakPolarHBondContact CE-O 3.11Å; K5-S71 PolarHBondContact NZ-O 3.4Å; F37-S71 WeakPolarHBondContact CD1-OG 3.12Å; F37-S71 VanDerWaalsContact CE1-OG 3.26Å; F37-S71 WeakPolarHBondContact CE1-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.46Å; R68-S71 PolarHBondContact O-N 3.35Å; P69-S71 PolarHBondContact O-N 3.15Å
72	Y	97.8	Very high	96.1	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	29%	0.286	C	S	.	.			trans	-81.7	-24.4	-172.1	-59.7	-13.9	0	0	0	117.5	V7 V9 R68 P69 Q74 T75 F78 E100 H104 C105	V7-Y72 HydrophobicContact CG1-CD1 4.04Å; V7-Y72 HydrophobicContact CG1-CE1 4Å; V9-Y72 HydrophobicContact CG1-CE1 3.9Å; R68-Y72 WeakPolarHBondContact CD-OH 3.48Å; R68-Y72 HydrophobicContact CG-CE1 4.12Å; R68-Y72 WeakPolarHBondContact CG-OH 3.12Å; P69-Y72 VanDerWaalsContact CA-CD2 3.49Å; P69-Y72 HydrophobicContact CB-CD2 3.93Å; P69-Y72 HydrophobicContact CB-CE2 4.07Å; P69-Y72 HydrophobicContact CG-CE2 4.18Å; P69-Y72 WeakPolarHBondContact O-CB 3.5Å; P69-Y72 PolarHBondContact O-N 3.19Å; P69-Y72 VanDerWaalsContact O-N 3.12Å; Y72-Q74 PolarHBondContact O-N 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.33Å; Y72-T75 PolarHBondContact O-N 3.49Å; Y72-T75 PolarHBondContact O-OG1 3.47Å; Y72-F78 AromaticContact CD1-CE1 3.63Å; Y72-F78 HydrophobicContact CD1-CE1 3.63Å; Y72-F78 HydrophobicContact CD1-CZ 4.03Å; Y72-F78 AromaticContact CE1-CE1 3.88Å; Y72-F78 HydrophobicContact CE1-CE1 3.88Å; Y72-F78 HydrophobicContact CG-CE1 4.15Å; Y72-F78 HydrophobicContact CG-CZ 4.09Å; Y72-E100 HydrophobicContact CE2-CG 4.24Å; Y72-E100 PolarHBondContact OH-OE1 3.32Å; Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.86Å; Y72-H104 AromaticContact CD2-CG 3.81Å; Y72-H104 HydrophobicContact CE2-CB 4.39Å; Y72-H104 AromaticContact CE2-CD2 3.86Å; Y72-C105 PolarHBondContact O-SG 3.22Å
73	P	97.1	Very high	96.6	Very high	76 Å²	76	51.6 Å²	51.6	49%	0.494	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	134.4	178.9	-28.6	36.2	0	0	0	111.8	K5 P69 L70 T75	K5-P73 PolarHBondContact NZ-O 2.94Å; P69-P73 WeakPolarHBondContact O-CD 3.27Å; L70-P73 WeakPolarHBondContact O-CD 3.35Å; P73-T75 VanDerWaalsContact C-N 3.25Å; P73-T75 PolarHBondContact O-N 3.05Å
74	Q	95.7	Very high	96.8	Very high	175 Å²	175	44.7 Å²	44.7	82%	0.818	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	24.7	178.5	-50.1	173.5	-60.4	0	0	114.6	Y72 D76	Y72-Q74 PolarHBondContact O-N 3.32Å; Q74-D76 PolarHBondContact O-N 2.97Å
75	T	98.1	Very high	97.1	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	21%	0.211	C	C	.	.			trans	-68.6	129	170.9	-60.5	0	0	0	0	111	V7 Y72 P73 V77 F78 T108	V7-T75 HydrophobicContact CB-CG2 4.02Å; V7-T75 HydrophobicContact CG2-CG2 3.76Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.07Å; Y72-T75 WeakPolarHBondContact O-CB 3.33Å; Y72-T75 PolarHBondContact O-N 3.49Å; Y72-T75 PolarHBondContact O-OG1 3.47Å; P73-T75 VanDerWaalsContact C-N 3.25Å; P73-T75 PolarHBondContact O-N 3.05Å; T75-V77 WeakPolarHBondContact CG2-O 3.47Å; T75-F78 HydrophobicContact CG2-CD1 4.13Å; T75-F78 HydrophobicContact CG2-CD2 3.81Å; T75-F78 HydrophobicContact CG2-CE1 3.95Å; T75-F78 HydrophobicContact CG2-CE2 3.6Å; T75-F78 HydrophobicContact CG2-CG 4.07Å; T75-F78 HydrophobicContact CG2-CZ 3.68Å; T75-T108 HydrophobicContact CG2-CG2 3.96Å; T75-T108 WeakPolarHBondContact O-CG2 3.39Å; T75-T108 PolarHBondContact O-OG1 3.41Å
76	D	97.8	Very high	97.3	Very high	67 Å²	67	41.5 Å²	41.5	36%	0.358	21%	0.208	S	C	.	.	S	Bend	trans	-88.1	-32.8	176.5	-59.6	-57.3	0	0	0	111.8	I4 K5 Q74 P109 A176	I4-D76 WeakPolarHBondContact CA-OD2 3.38Å; I4-D76 HydrophobicContact CG2-CB 4.18Å; K5-D76 PolarHBondContact N-OD2 3.19Å; K5-D76 PolarHBondContact O-N 2.89Å; Q74-D76 PolarHBondContact O-N 2.97Å; D76-P109 WeakPolarHBondContact O-CD 3.35Å; D76-P109 WeakPolarHBondContact O-CG 3.3Å; D76-A176 HydrophobicContact CB-CB 4.02Å
77	V	98.5	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	144.9	176	63.4	0	0	0	0	111.8	K5 C6 V7 T75 P109 A172 A175 A176	K5-V77 PolarHBondContact O-N 3.01Å; C6-V77 WeakPolarHBondContact CA-O 3.5Å; C6-V77 HydrophobicContact CB-CG1 3.89Å; V7-V77 PolarHBondContact N-O 3.1Å; V7-V77 VanDerWaalsContact N-O 3.08Å; T75-V77 WeakPolarHBondContact CG2-O 3.47Å; V77-P109 WeakPolarHBondContact CA-O 3.41Å; V77-A172 HydrophobicContact CG1-CB 4.15Å; V77-A172 HydrophobicContact CG2-CB 4.37Å; V77-A175 HydrophobicContact CG2-CB 4.18Å; V77-A176 HydrophobicContact CB-CB 4.13Å; V77-A176 HydrophobicContact CG1-CB 4.13Å
78	F	98.8	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.6	170.1	-71.3	-85.7	0	0	0	112.3	V7 V9 Y72 T75 I101 C105 T108 P109 F110 L111	V7-F78 HydrophobicContact CB-CD1 3.74Å; V7-F78 HydrophobicContact CB-CE1 3.71Å; V7-F78 HydrophobicContact CG1-CD1 4.03Å; V7-F78 HydrophobicContact CG1-CE1 3.85Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 CarbonylContact O-C 3.46Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V9-F78 HydrophobicContact CG1-CD1 4.45Å; Y72-F78 AromaticContact CD1-CE1 3.63Å; Y72-F78 HydrophobicContact CD1-CE1 3.63Å; Y72-F78 HydrophobicContact CD1-CZ 4.03Å; Y72-F78 AromaticContact CE1-CE1 3.88Å; Y72-F78 HydrophobicContact CE1-CE1 3.88Å; Y72-F78 HydrophobicContact CG-CE1 4.15Å; Y72-F78 HydrophobicContact CG-CZ 4.09Å; T75-F78 HydrophobicContact CG2-CD1 4.13Å; T75-F78 HydrophobicContact CG2-CD2 3.81Å; T75-F78 HydrophobicContact CG2-CE1 3.95Å; T75-F78 HydrophobicContact CG2-CE2 3.6Å; T75-F78 HydrophobicContact CG2-CG 4.07Å; T75-F78 HydrophobicContact CG2-CZ 3.68Å; F78-I101 HydrophobicContact CB-CD1 4.03Å; F78-I101 HydrophobicContact CD1-CB 4.44Å; F78-I101 HydrophobicContact CD1-CG2 3.85Å; F78-I101 HydrophobicContact CD2-CB 4.3Å; F78-I101 HydrophobicContact CD2-CD1 4.28Å; F78-I101 HydrophobicContact CE1-CB 4.41Å; F78-I101 HydrophobicContact CE1-CG2 3.9Å; F78-I101 HydrophobicContact CE2-CB 4.29Å; F78-I101 HydrophobicContact CG-CB 4.39Å; F78-I101 HydrophobicContact CG-CD1 4.14Å; F78-I101 HydrophobicContact CG-CG2 4.2Å; F78-I101 HydrophobicContact CZ-CB 4.33Å; F78-I101 HydrophobicContact CZ-CG2 4.31Å; F78-C105 HydrophobicContact CE2-CB 3.64Å; F78-C105 HydrophobicContact CZ-CB 4.05Å; F78-T108 HydrophobicContact CD2-CG2 3.52Å; F78-T108 HydrophobicContact CE2-CG2 3.57Å; F78-P109 PolarHBondContact N-O 2.94Å; F78-F110 HydrophobicContact CB-CB 3.74Å; F78-F110 CarbonylContact O-C 3.6Å; F78-F110 WeakPolarHBondContact O-CA 3.32Å; F78-L111 PolarHBondContact O-N 3.27Å
79	L	98.9	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.6	160.4	-60.8	-175.6	0	0	0	108.4	V7 V8 V9 L19 L111 V113 V168 F169 A172	V7-L79 PolarHBondContact O-N 3.25Å; V8-L79 HydrophobicContact CB-CB 4.47Å; V8-L79 HydrophobicContact CG1-CB 4.12Å; V8-L79 HydrophobicContact CG2-CB 4.25Å; V8-L79 HydrophobicContact CG2-CD1 4.07Å; V8-L79 HydrophobicContact CG2-CG 4.47Å; V9-L79 PolarHBondContact N-O 2.69Å; L19-L79 HydrophobicContact CD2-CD1 4.17Å; L79-L111 HydrophobicContact CD2-CB 3.9Å; L79-L111 HydrophobicContact CD2-CD1 3.92Å; L79-L111 HydrophobicContact CD2-CG 4.14Å; L79-V113 HydrophobicContact CB-CG2 4.05Å; L79-V113 HydrophobicContact CD2-CG2 3.89Å; L79-V113 HydrophobicContact CG-CG2 4.42Å; L79-V168 HydrophobicContact CD1-CG1 3.77Å; L79-V168 HydrophobicContact CD2-CG1 4.1Å; L79-F169 HydrophobicContact CD1-CE1 4.17Å; L79-A172 HydrophobicContact CD2-CB 3.9Å
80	V	98.9	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	103.4	174.5	-175.7	0	0	0	0	108.1	V9 V93 W97 V98 I101 F110 L111 V113	V9-V80 HydrophobicContact CG2-CB 4.4Å; V9-V80 HydrophobicContact CG2-CG1 4.48Å; V9-V80 HydrophobicContact CG2-CG2 3.94Å; V80-V93 HydrophobicContact CG1-CG1 3.97Å; V80-V93 HydrophobicContact CG1-CG2 4.32Å; V80-W97 HydrophobicContact CG1-CB 3.74Å; V80-W97 HydrophobicContact CG1-CG 4.48Å; V80-V98 HydrophobicContact CG1-CG2 4.42Å; V80-I101 HydrophobicContact CG2-CD1 3.61Å; V80-F110 HydrophobicContact CB-CD2 4.32Å; V80-F110 HydrophobicContact CG2-CB 4.24Å; V80-F110 HydrophobicContact CG2-CD2 3.69Å; V80-F110 HydrophobicContact CG2-CE2 4.42Å; V80-F110 HydrophobicContact CG2-CG 4.24Å; V80-L111 PolarHBondContact N-O 3.13Å; V80-V113 PolarHBondContact O-N 2.91Å
81	C	98.9	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.8	-173.4	-63.5	0	0	0	0	112.2	V8 V9 G10 V14 K16 V113 T115	V8-C81 VanDerWaalsContact CG1-SG 3.58Å; V9-C81 WeakPolarHBondContact O-CB 3.39Å; V9-C81 PolarHBondContact O-N 3.27Å; G10-C81 WeakPolarHBondContact CA-O 3.22Å; V14-C81 HydrophobicContact CG2-CB 3.95Å; K16-C81 HydrophobicContact CG-CB 4.02Å; C81-V113 WeakPolarHBondContact CA-O 3.47Å; C81-T115 HydrophobicContact CB-CG2 4.16Å
82	F	98.9	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	163.3	162.9	73.7	-84.2	0	0	0	109.2	F90 V93 L112 V113 T115 I137 A142 Y154	F82-F90 HydrophobicContact CD1-CD2 4.05Å; F82-F90 HydrophobicContact CD2-CB 3.84Å; F82-F90 AromaticContact CD2-CD2 3.61Å; F82-F90 HydrophobicContact CD2-CD2 3.61Å; F82-F90 HydrophobicContact CD2-CG 4.18Å; F82-F90 AromaticContact CE1-CD2 3.94Å; F82-F90 HydrophobicContact CE1-CD2 3.94Å; F82-F90 HydrophobicContact CE1-CE2 4.19Å; F82-F90 HydrophobicContact CE2-CB 4.38Å; F82-F90 AromaticContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CE2 4.18Å; F82-F90 HydrophobicContact CE2-CG 4.3Å; F82-F90 HydrophobicContact CG-CB 4.31Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 AromaticContact CZ-CD2 3.69Å; F82-F90 HydrophobicContact CZ-CD2 3.69Å; F82-F90 AromaticContact CZ-CE2 3.95Å; F82-F90 HydrophobicContact CZ-CE2 3.95Å; F82-V93 HydrophobicContact CB-CG2 3.9Å; F82-V93 HydrophobicContact CD1-CG2 4.26Å; F82-V93 HydrophobicContact CG-CG2 4.38Å; F82-L112 HydrophobicContact CD1-CD1 3.78Å; F82-L112 HydrophobicContact CD1-CG 4.21Å; F82-L112 HydrophobicContact CE1-CD1 3.97Å; F82-L112 HydrophobicContact CE1-CD2 4.15Å; F82-L112 HydrophobicContact CE1-CG 3.88Å; F82-V113 WeakPolarHBondContact CD1-O 3.16Å; F82-V113 PolarHBondContact N-O 2.63Å; F82-T115 WeakPolarHBondContact O-CB 3.18Å; F82-T115 PolarHBondContact O-N 3.41Å; F82-T115 PolarHBondContact O-OG1 2.7Å; F82-I137 HydrophobicContact CE2-CB 4.06Å; F82-I137 HydrophobicContact CE2-CG1 4.25Å; F82-I137 HydrophobicContact CE2-CG2 3.86Å; F82-I137 HydrophobicContact CZ-CG2 4.29Å; F82-A142 HydrophobicContact CE1-CB 4.26Å; F82-A142 HydrophobicContact CZ-CB 3.69Å; F82-Y154 AromaticContact CE1-CE2 3.78Å; F82-Y154 HydrophobicContact CE1-CE2 3.78Å; F82-Y154 AromaticContact CZ-CE2 3.9Å; F82-Y154 HydrophobicContact CZ-CE2 3.9Å
83	S	98.8	Very high	98.4	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.9	173.7	163	0	0	0	0	111	V85 S86 S89 T115 Q116	S83-V85 PolarHBondContact O-N 3.32Å; S83-V85 VanDerWaalsContact OG-CG2 3.29Å; S83-V85 WeakPolarHBondContact OG-CG2 3.47Å; S83-V85 PolarHBondContact OG-N 3.48Å; S83-V85 VanDerWaalsContact OG-N 3.17Å; S83-S86 PolarHBondContact O-N 3.12Å; S83-S86 PolarHBondContact OG-N 2.98Å; S83-S89 PolarHBondContact N-OG 2.87Å; S83-T115 WeakPolarHBondContact CA-OG1 3.44Å; S83-Q116 PolarHBondContact OG-OE1 3.01Å
84	S	98.6	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.2	176.2	62.8	0	0	0	0	113.4	T115 Q116 I117 P136 I137	S84-T115 WeakPolarHBondContact CB-O 3.05Å; S84-T115 PolarHBondContact N-O 2.86Å; S84-T115 PolarHBondContact OG-O 2.57Å; S84-T115 VanDerWaalsContact OG-O 3.13Å; S84-Q116 PolarHBondContact OG-O 2.71Å; S84-Q116 VanDerWaalsContact OG-O 3.1Å; S84-I117 WeakPolarHBondContact OG-CA 3.5Å; S84-P136 CarbonylContact O-C 3.5Å; S84-P136 WeakPolarHBondContact O-CA 3.4Å; S84-I137 PolarHBondContact O-N 3Å
85	V	98.4	Very high	98.6	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.115	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	15.5	179.2	-62.7	0	0	0	0	112.9	S83 L119 T125 L129 P136	S83-V85 PolarHBondContact O-N 3.32Å; S83-V85 VanDerWaalsContact OG-CG2 3.29Å; S83-V85 WeakPolarHBondContact OG-CG2 3.47Å; S83-V85 PolarHBondContact OG-N 3.48Å; S83-V85 VanDerWaalsContact OG-N 3.17Å; V85-L119 HydrophobicContact CB-CB 4.43Å; V85-L119 HydrophobicContact CG1-CB 3.74Å; V85-L119 WeakPolarHBondContact CG1-O 3.44Å; V85-L119 HydrophobicContact CG2-CB 3.91Å; V85-L119 HydrophobicContact CG2-CD1 3.92Å; V85-T125 HydrophobicContact CB-CG2 3.66Å; V85-T125 HydrophobicContact CG1-CG2 3.66Å; V85-T125 HydrophobicContact CG2-CG2 4.08Å; V85-L129 HydrophobicContact CB-CD1 4.14Å; V85-P136 HydrophobicContact CG1-CB 4.37Å
86	S	98.4	Very high	98.6	Very high	34 Å²	34	32.7 Å²	32.7	24%	0.238	17%	0.166	C	C	.	.			trans	-127.2	93	172	178	0	0	0	0	110.4	S83 S88 S89 F90	S83-S86 PolarHBondContact O-N 3.12Å; S83-S86 PolarHBondContact OG-N 2.98Å; S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 3.36Å; S86-S88 PolarHBondContact OG-OG 2.91Å; S86-S89 WeakPolarHBondContact CB-OG 3.42Å; S86-S89 PolarHBondContact O-N 2.87Å; S86-S89 VanDerWaalsContact O-N 3.08Å; S86-S89 PolarHBondContact O-OG 2.9Å; S86-S89 PolarHBondContact OG-N 3.46Å; S86-S89 PolarHBondContact OG-OG 3.33Å; S86-F90 PolarHBondContact O-N 2.98Å
87	P	98.4	Very high	98.6	Very high	14 Å²	14	29.5 Å²	29.5	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-34.6	179.8	-27.9	36.8	0	0	0	114.4	S89 F90 E91 L129 Q134 I137	P87-S89 VanDerWaalsContact C-N 3.35Å; P87-S89 PolarHBondContact O-N 3.16Å; P87-F90 WeakPolarHBondContact O-CB 3.45Å; P87-F90 PolarHBondContact O-N 2.85Å; P87-E91 PolarHBondContact O-N 3.2Å; P87-L129 HydrophobicContact CG-CD2 4.37Å; P87-Q134 HydrophobicContact CG-CB 4.12Å; P87-Q134 HydrophobicContact CG-CG 4.23Å; P87-I137 HydrophobicContact CB-CD1 4.18Å; P87-I137 HydrophobicContact CG-CD1 4.34Å
88	S	98.3	Very high	98.6	Very high	55 Å²	55	30.1 Å²	30.1	39%	0.385	15%	0.153	S	C	.	.	H	α-helix	trans	-62.8	-41	175	56.4	0	0	0	0	112	S86 F90 E91 N92	S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 3.36Å; S86-S88 PolarHBondContact OG-OG 2.91Å; S88-F90 PolarHBondContact O-N 2.79Å; S88-E91 PolarHBondContact O-N 2.9Å; S88-N92 WeakPolarHBondContact O-CB 3.26Å; S88-N92 VanDerWaalsContact O-CG 3.29Å; S88-N92 PolarHBondContact O-N 3.46Å; S88-N92 PolarHBondContact O-ND2 3.06Å
89	S	98.8	Very high	98.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-30	177	76.1	0	0	0	0	112.6	D11 S83 S86 P87 V93	D11-S89 WeakPolarHBondContact OD2-CA 3.2Å; S83-S89 PolarHBondContact N-OG 2.87Å; S86-S89 WeakPolarHBondContact CB-OG 3.42Å; S86-S89 PolarHBondContact O-N 2.87Å; S86-S89 VanDerWaalsContact O-N 3.08Å; S86-S89 PolarHBondContact O-OG 2.9Å; S86-S89 PolarHBondContact OG-N 3.46Å; S86-S89 PolarHBondContact OG-OG 3.33Å; P87-S89 VanDerWaalsContact C-N 3.35Å; P87-S89 PolarHBondContact O-N 3.16Å; S89-V93 WeakPolarHBondContact O-CG2 3.47Å; S89-V93 PolarHBondContact O-N 2.9Å
90	F	98.8	Very high	98.6	Very high	23 Å²	23	34.6 Å²	34.6	10%	0.101	18%	0.179	C	C	.	.	H	α-helix	trans	-73.1	-40.2	176	-178.7	-109.5	0	0	0	112.1	F82 S86 P87 S88 V93 I137 M141 A142 L145	F82-F90 HydrophobicContact CD1-CD2 4.05Å; F82-F90 HydrophobicContact CD2-CB 3.84Å; F82-F90 AromaticContact CD2-CD2 3.61Å; F82-F90 HydrophobicContact CD2-CD2 3.61Å; F82-F90 HydrophobicContact CD2-CG 4.18Å; F82-F90 AromaticContact CE1-CD2 3.94Å; F82-F90 HydrophobicContact CE1-CD2 3.94Å; F82-F90 HydrophobicContact CE1-CE2 4.19Å; F82-F90 HydrophobicContact CE2-CB 4.38Å; F82-F90 AromaticContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CE2 4.18Å; F82-F90 HydrophobicContact CE2-CG 4.3Å; F82-F90 HydrophobicContact CG-CB 4.31Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 AromaticContact CZ-CD2 3.69Å; F82-F90 HydrophobicContact CZ-CD2 3.69Å; F82-F90 AromaticContact CZ-CE2 3.95Å; F82-F90 HydrophobicContact CZ-CE2 3.95Å; S86-F90 PolarHBondContact O-N 2.98Å; P87-F90 WeakPolarHBondContact O-CB 3.45Å; P87-F90 PolarHBondContact O-N 2.85Å; S88-F90 PolarHBondContact O-N 2.79Å; F90-V93 WeakPolarHBondContact O-CB 3.34Å; F90-V93 PolarHBondContact O-N 2.83Å; F90-I137 HydrophobicContact CB-CD1 4.06Å; F90-I137 HydrophobicContact CB-CG1 3.94Å; F90-I137 HydrophobicContact CD1-CD1 3.86Å; F90-I137 HydrophobicContact CD1-CG1 4.35Å; F90-I137 HydrophobicContact CD1-CG2 4.33Å; F90-I137 HydrophobicContact CD2-CG2 3.96Å; F90-I137 HydrophobicContact CE1-CG2 4.32Å; F90-I137 HydrophobicContact CE2-CG2 3.94Å; F90-I137 HydrophobicContact CG-CD1 4.03Å; F90-I137 HydrophobicContact CG-CG1 4.02Å; F90-I137 HydrophobicContact CG-CG2 4.14Å; F90-I137 HydrophobicContact CZ-CG2 4.12Å; F90-M141 HydrophobicContact CE1-CE 4.36Å; F90-M141 HydrophobicContact CZ-CB 4.35Å; F90-A142 HydrophobicContact CE2-CB 3.81Å; F90-A142 HydrophobicContact CZ-CB 4.33Å; F90-L145 HydrophobicContact CD2-CD2 3.86Å; F90-L145 HydrophobicContact CE1-CD2 4.06Å; F90-L145 HydrophobicContact CE2-CB 4.02Å; F90-L145 HydrophobicContact CE2-CD2 3.35Å; F90-L145 HydrophobicContact CE2-CG 4.31Å; F90-L145 HydrophobicContact CG-CD2 4.42Å; F90-L145 HydrophobicContact CZ-CB 3.66Å; F90-L145 HydrophobicContact CZ-CD2 3.47Å; F90-L145 VanDerWaalsContact CZ-CD2 3.47Å; F90-L145 HydrophobicContact CZ-CG 4.16Å
91	E	98.6	Very high	98.6	Very high	113 Å²	113	34.7 Å²	34.7	53%	0.528	18%	0.18	S	C	.	.	H	α-helix	trans	-63.2	-44.9	173.5	-70.1	170.2	175.9	0	0	111.1	P87 S88 V93 K94 E95	P87-E91 PolarHBondContact O-N 3.2Å; S88-E91 PolarHBondContact O-N 2.9Å; E91-V93 PolarHBondContact O-N 2.81Å; E91-V93 VanDerWaalsContact O-N 3.07Å; E91-K94 PolarHBondContact O-N 3.1Å; E91-E95 PolarHBondContact O-N 2.95Å
92	N	98.8	Very high	98.5	Very high	46 Å²	46	38 Å²	38	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-21.1	179.1	-75	-21.5	0	0	0	114	D11 S88 K94 E95 K96 W97	D11-N92 WeakPolarHBondContact OD1-CB 3.3Å; D11-N92 PolarHBondContact OD1-ND2 2.9Å; D11-N92 PolarHBondContact OD2-ND2 3.24Å; S88-N92 WeakPolarHBondContact O-CB 3.26Å; S88-N92 VanDerWaalsContact O-CG 3.29Å; S88-N92 PolarHBondContact O-N 3.46Å; S88-N92 PolarHBondContact O-ND2 3.06Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 3.26Å; N92-E95 PolarHBondContact O-N 2.58Å; N92-K96 WeakPolarHBondContact O-CA 3.24Å; N92-K96 WeakPolarHBondContact O-CB 3.44Å; N92-K96 PolarHBondContact O-N 2.7Å; N92-W97 VanDerWaalsContact O-CD1 3.27Å; N92-W97 PolarHBondContact O-N 3.06Å
93	V	98.8	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-54.8	-48.6	171.1	174	0	0	0	0	110.5	V80 F82 S89 F90 E91 V98 L112 L145 L149	V80-V93 HydrophobicContact CG1-CG1 3.97Å; V80-V93 HydrophobicContact CG1-CG2 4.32Å; F82-V93 HydrophobicContact CB-CG2 3.9Å; F82-V93 HydrophobicContact CD1-CG2 4.26Å; F82-V93 HydrophobicContact CG-CG2 4.38Å; S89-V93 WeakPolarHBondContact O-CG2 3.47Å; S89-V93 PolarHBondContact O-N 2.9Å; F90-V93 WeakPolarHBondContact O-CB 3.34Å; F90-V93 PolarHBondContact O-N 2.83Å; E91-V93 PolarHBondContact O-N 2.81Å; E91-V93 VanDerWaalsContact O-N 3.07Å; V93-V98 HydrophobicContact CG1-CG2 3.95Å; V93-V98 WeakPolarHBondContact O-CB 3.44Å; V93-V98 WeakPolarHBondContact O-CG2 3.31Å; V93-V98 PolarHBondContact O-N 2.96Å; V93-L112 HydrophobicContact CB-CD1 4.44Å; V93-L112 HydrophobicContact CG1-CD1 3.6Å; V93-L112 HydrophobicContact CG2-CD1 3.99Å; V93-L145 HydrophobicContact CB-CD2 4.1Å; V93-L145 HydrophobicContact CG1-CD2 4.04Å; V93-L149 HydrophobicContact CG1-CD1 3.6Å
94	K	98.5	Very high	98.5	Very high	134 Å²	134	49.1 Å²	49.1	58%	0.583	25%	0.251	S	S	*	.	I	π-helix	trans	-79.4	-36.5	-178.1	176.9	177.9	176.7	-169.2	0	112	E91 N92 P99 L145 L149	E91-K94 PolarHBondContact O-N 3.1Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 3.26Å; K94-P99 VanDerWaalsContact O-CD 3.27Å; K94-P99 WeakPolarHBondContact O-CD 3.26Å; K94-P99 WeakPolarHBondContact O-CG 3.09Å; K94-L145 HydrophobicContact CB-CD1 4.36Å; K94-L149 HydrophobicContact CB-CD1 4.37Å; K94-L149 HydrophobicContact CB-CD2 4.33Å; K94-L149 HydrophobicContact CG-CD2 4.12Å
95	E	98.3	Very high	98.4	Very high	140 Å²	140	50 Å²	50	65%	0.654	26%	0.257	S	S	*	.	I	π-helix	trans	-83.4	-30.6	-171.5	-62	-172.6	169.2	0	0	112.9	E91 N92	E91-E95 PolarHBondContact O-N 2.95Å; N92-E95 PolarHBondContact O-N 2.58Å
96	K	98.3	Very high	98.2	Very high	38 Å²	38	53.8 Å²	53.8	17%	0.165	28%	0.282	C	S	.	.	I	π-helix	trans	-125.1	-62.2	-174.4	179.7	174.2	179.9	162.8	0	112.9	D65 N92 P99 E100	D65-K96 WeakPolarHBondContact OD1-CE 2.87Å; D65-K96 IonicContact OD1-NZ 3.65Å; D65-K96 PolarHBondContact OD1-NZ 2.88Å; D65-K96 IonicContact OD2-NZ 2.63Å; D65-K96 PolarHBondContact OD2-NZ 2.93Å; N92-K96 WeakPolarHBondContact O-CA 3.24Å; N92-K96 WeakPolarHBondContact O-CB 3.44Å; N92-K96 PolarHBondContact O-N 2.7Å; K96-P99 WeakPolarHBondContact O-CD 3.45Å; K96-E100 VanDerWaalsContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 PolarHBondContact O-N 2.83Å
97	W	98.7	Very high	98	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-69.5	-47.9	-161.9	-62	111.8	0	0	0	114	V9 G10 D11 R68 V80 N92 E100 I101	V9-W97 HydrophobicContact CB-CE3 3.88Å; V9-W97 HydrophobicContact CB-CZ3 4.21Å; V9-W97 HydrophobicContact CG2-CE3 4.27Å; G10-W97 VanDerWaalsContact CA-CE2 3.41Å; G10-W97 WeakPolarHBondContact O-CH2 3.34Å; G10-W97 VanDerWaalsContact O-CZ2 3.24Å; G10-W97 WeakPolarHBondContact O-CZ2 3.5Å; D11-W97 PolarHBondContact OD1-NE1 2.91Å; R68-W97 VanDerWaalsContact CZ-CZ3 3.46Å; V80-W97 HydrophobicContact CG1-CB 3.74Å; V80-W97 HydrophobicContact CG1-CG 4.48Å; N92-W97 VanDerWaalsContact O-CD1 3.27Å; N92-W97 PolarHBondContact O-N 3.06Å; W97-E100 PolarHBondContact O-N 2.77Å; W97-I101 PolarHBondContact O-N 3.22Å
98	V	98.6	Very high	98	Very high	12 Å²	12	61.7 Å²	61.7	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-45.2	177.1	173	0	0	0	0	111.7	V80 V93 E100 I101 T102 F110 L149	V80-V98 HydrophobicContact CG1-CG2 4.42Å; V93-V98 HydrophobicContact CG1-CG2 3.95Å; V93-V98 WeakPolarHBondContact O-CB 3.44Å; V93-V98 WeakPolarHBondContact O-CG2 3.31Å; V93-V98 PolarHBondContact O-N 2.96Å; V98-E100 VanDerWaalsContact C-N 3.31Å; V98-E100 PolarHBondContact O-N 3.05Å; V98-I101 WeakPolarHBondContact O-CG1 3.38Å; V98-T102 WeakPolarHBondContact O-CB 3.37Å; V98-T102 PolarHBondContact O-N 2.92Å; V98-T102 PolarHBondContact O-OG1 3.36Å; V98-F110 HydrophobicContact CG1-CE1 4.42Å; V98-F110 HydrophobicContact CG1-CZ 4.08Å; V98-F110 HydrophobicContact CG2-CD2 4.46Å; V98-F110 HydrophobicContact CG2-CE2 3.72Å; V98-F110 HydrophobicContact CG2-CZ 3.88Å; V98-L149 HydrophobicContact CB-CD1 4.42Å; V98-L149 HydrophobicContact CG2-CD1 3.88Å
99	P	98.6	Very high	98	Very high	64 Å²	64	59.9 Å²	59.9	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-53.8	-44.3	170.8	-29.1	35.5	0	0	0	113.8	K94 K96 T102 H103	K94-P99 VanDerWaalsContact O-CD 3.27Å; K94-P99 WeakPolarHBondContact O-CD 3.26Å; K94-P99 WeakPolarHBondContact O-CG 3.09Å; K96-P99 WeakPolarHBondContact O-CD 3.45Å; P99-T102 PolarHBondContact O-N 3.47Å; P99-H103 WeakPolarHBondContact O-CB 3.09Å; P99-H103 PolarHBondContact O-N 2.89Å
100	E	98.6	Very high	98	Very high	30 Å²	30	60.7 Å²	60.7	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-53.2	-179	-173	179.2	120.6	0	0	112	R68 Y72 K96 W97 V98 T102 H103 H104	R68-E100 WeakPolarHBondContact CD-OE1 3.28Å; R68-E100 IonicContact CZ-OE1 3.01Å; R68-E100 IonicContact NH1-OE1 2.91Å; R68-E100 PolarHBondContact NH1-OE1 3.01Å; R68-E100 IonicContact NH1-OE2 3.15Å; R68-E100 PolarHBondContact NH1-OE2 3.21Å; Y72-E100 HydrophobicContact CE2-CG 4.24Å; Y72-E100 PolarHBondContact OH-OE1 3.32Å; K96-E100 VanDerWaalsContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 PolarHBondContact O-N 2.83Å; W97-E100 PolarHBondContact O-N 2.77Å; V98-E100 VanDerWaalsContact C-N 3.31Å; V98-E100 PolarHBondContact O-N 3.05Å; E100-T102 VanDerWaalsContact C-N 3.27Å; E100-T102 PolarHBondContact O-N 3.04Å; E100-H103 WeakPolarHBondContact O-CB 3.47Å; E100-H103 PolarHBondContact O-N 2.87Å; E100-H104 PolarHBondContact O-CD2 2.91Å; E100-H104 PolarHBondContact O-N 3.34Å
101	I	98.4	Very high	98	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-31.7	179.5	68	174.3	0	0	0	111.7	V9 F78 V80 W97 V98 C105 F110	V9-I101 HydrophobicContact CG1-CG2 4.46Å; V9-I101 HydrophobicContact CG2-CG2 4.03Å; F78-I101 HydrophobicContact CB-CD1 4.03Å; F78-I101 HydrophobicContact CD1-CB 4.44Å; F78-I101 HydrophobicContact CD1-CG2 3.85Å; F78-I101 HydrophobicContact CD2-CB 4.3Å; F78-I101 HydrophobicContact CD2-CD1 4.28Å; F78-I101 HydrophobicContact CE1-CB 4.41Å; F78-I101 HydrophobicContact CE1-CG2 3.9Å; F78-I101 HydrophobicContact CE2-CB 4.29Å; F78-I101 HydrophobicContact CG-CB 4.39Å; F78-I101 HydrophobicContact CG-CD1 4.14Å; F78-I101 HydrophobicContact CG-CG2 4.2Å; F78-I101 HydrophobicContact CZ-CB 4.33Å; F78-I101 HydrophobicContact CZ-CG2 4.31Å; V80-I101 HydrophobicContact CG2-CD1 3.61Å; W97-I101 PolarHBondContact O-N 3.22Å; V98-I101 WeakPolarHBondContact O-CG1 3.38Å; I101-C105 CarbonylContact O-C 3.56Å; I101-C105 VanDerWaalsContact O-CA 3.31Å; I101-C105 WeakPolarHBondContact O-CA 3.34Å; I101-C105 WeakPolarHBondContact O-CB 3.13Å; I101-C105 PolarHBondContact O-N 3.26Å; I101-F110 HydrophobicContact CD1-CB 3.82Å; I101-F110 HydrophobicContact CD1-CD1 4.13Å; I101-F110 HydrophobicContact CD1-CD2 4.38Å; I101-F110 HydrophobicContact CD1-CG 3.87Å
102	T	97.9	Very high	98	Very high	70 Å²	70	54.2 Å²	54.2	43%	0.429	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-35.4	177.3	-57.4	0	0	0	0	111.3	V98 P99 E100 P106	V98-T102 WeakPolarHBondContact O-CB 3.37Å; V98-T102 PolarHBondContact O-N 2.92Å; V98-T102 PolarHBondContact O-OG1 3.36Å; P99-T102 PolarHBondContact O-N 3.47Å; E100-T102 VanDerWaalsContact C-N 3.27Å; E100-T102 PolarHBondContact O-N 3.04Å; T102-P106 VanDerWaalsContact O-CA 3.26Å; T102-P106 WeakPolarHBondContact O-CA 3.5Å; T102-P106 WeakPolarHBondContact O-CB 3.44Å
103	H	97.9	Very high	98	Very high	149 Å²	149	52 Å²	52	69%	0.69	26%	0.262	S	S	*	.	H	α-helix	trans	-63.7	-45.6	176.1	178	71.5	0	0	0	111.7	P99 E100	P99-H103 WeakPolarHBondContact O-CB 3.09Å; P99-H103 PolarHBondContact O-N 2.89Å; E100-H103 WeakPolarHBondContact O-CB 3.47Å; E100-H103 PolarHBondContact O-N 2.87Å
104	H	97.9	Very high	98	Very high	87 Å²	87	52 Å²	52	40%	0.403	26%	0.262	S	S	.	.	H	α-helix	trans	-85.4	-32.8	-176.8	-70.9	-70.8	0	0	0	113.9	Y72 E100	Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.86Å; Y72-H104 AromaticContact CD2-CG 3.81Å; Y72-H104 HydrophobicContact CE2-CB 4.39Å; Y72-H104 AromaticContact CE2-CD2 3.86Å; E100-H104 PolarHBondContact O-CD2 2.91Å; E100-H104 PolarHBondContact O-N 3.34Å
105	C	97.1	Very high	98	Very high	18 Å²	18	45.9 Å²	45.9	12%	0.122	24%	0.236	C	C	.	.			trans	-138.3	65.7	-171.9	-63.3	0	0	0	0	111.5	Y72 F78 I101 K107 T108	Y72-C105 PolarHBondContact O-SG 3.22Å; F78-C105 HydrophobicContact CE2-CB 3.64Å; F78-C105 HydrophobicContact CZ-CB 4.05Å; I101-C105 CarbonylContact O-C 3.56Å; I101-C105 VanDerWaalsContact O-CA 3.31Å; I101-C105 WeakPolarHBondContact O-CA 3.34Å; I101-C105 WeakPolarHBondContact O-CB 3.13Å; I101-C105 PolarHBondContact O-N 3.26Å; C105-K107 PolarHBondContact O-N 3.05Å; C105-T108 PolarHBondContact O-N 2.56Å; C105-T108 VanDerWaalsContact O-N 3.1Å
106	P	95.3	Very high	98	Very high	99 Å²	99	41.7 Å²	41.7	64%	0.643	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.6	-167.5	24.6	-36.1	0	0	0	115.9	T102	T102-P106 VanDerWaalsContact O-CA 3.26Å; T102-P106 WeakPolarHBondContact O-CA 3.5Å; T102-P106 WeakPolarHBondContact O-CB 3.44Å
107	K	93.8	Very high	98	Very high	181 Å²	181	40.5 Å²	40.5	79%	0.787	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-5.6	-178.8	-63	-176.7	-177.5	177.1	0	113.2	C105	C105-K107 PolarHBondContact O-N 3.05Å
108	T	97.6	Very high	98	Very high	32 Å²	32	43 Å²	43	20%	0.196	23%	0.225	C	C	.	.			trans	-79.3	127.6	-175.5	-58.9	0	0	0	0	108.9	T75 F78 C105	T75-T108 HydrophobicContact CG2-CG2 3.96Å; T75-T108 WeakPolarHBondContact O-CG2 3.39Å; T75-T108 PolarHBondContact O-OG1 3.41Å; F78-T108 HydrophobicContact CD2-CG2 3.52Å; F78-T108 HydrophobicContact CE2-CG2 3.57Å; C105-T108 PolarHBondContact O-N 2.56Å; C105-T108 VanDerWaalsContact O-N 3.1Å
109	P	98.1	Very high	97.9	Very high	17 Å²	17	44.9 Å²	44.9	11%	0.11	23%	0.234	C	C	.	.			trans	-65.4	155.7	177.1	27.5	-34.3	0	0	0	111.1	D76 V77 F78 V152 A175 P179	D76-P109 WeakPolarHBondContact O-CD 3.35Å; D76-P109 WeakPolarHBondContact O-CG 3.3Å; V77-P109 WeakPolarHBondContact CA-O 3.41Å; F78-P109 PolarHBondContact N-O 2.94Å; P109-V152 HydrophobicContact CB-CG2 3.56Å; P109-A175 WeakPolarHBondContact CG-O 3.43Å; P109-P179 HydrophobicContact CG-CB 4.45Å
110	F	98.8	Very high	97.8	Very high	18 Å²	18	43.6 Å²	43.6	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.1	173.9	74.4	-83.9	0	0	0	112	F78 V80 V98 I101 L149 A151 V152	F78-F110 HydrophobicContact CB-CB 3.74Å; F78-F110 CarbonylContact O-C 3.6Å; F78-F110 WeakPolarHBondContact O-CA 3.32Å; V80-F110 HydrophobicContact CB-CD2 4.32Å; V80-F110 HydrophobicContact CG2-CB 4.24Å; V80-F110 HydrophobicContact CG2-CD2 3.69Å; V80-F110 HydrophobicContact CG2-CE2 4.42Å; V80-F110 HydrophobicContact CG2-CG 4.24Å; V98-F110 HydrophobicContact CG1-CE1 4.42Å; V98-F110 HydrophobicContact CG1-CZ 4.08Å; V98-F110 HydrophobicContact CG2-CD2 4.46Å; V98-F110 HydrophobicContact CG2-CE2 3.72Å; V98-F110 HydrophobicContact CG2-CZ 3.88Å; I101-F110 HydrophobicContact CD1-CB 3.82Å; I101-F110 HydrophobicContact CD1-CD1 4.13Å; I101-F110 HydrophobicContact CD1-CD2 4.38Å; I101-F110 HydrophobicContact CD1-CG 3.87Å; F110-L149 HydrophobicContact CZ-CB 4.12Å; F110-L149 WeakPolarHBondContact CZ-O 3.41Å; F110-A151 HydrophobicContact CD2-CB 3.98Å; F110-A151 HydrophobicContact CE2-CB 3.47Å; F110-A151 VanDerWaalsContact CE2-CB 3.47Å; F110-A151 HydrophobicContact CZ-CB 3.81Å; F110-V152 PolarHBondContact O-N 2.86Å
111	L	98.8	Very high	97.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.9	167.4	-57.6	-171.3	0	0	0	110.1	F78 L79 V80 V113 V152 K153 V155 E171 A172 A175	F78-L111 PolarHBondContact O-N 3.27Å; L79-L111 HydrophobicContact CD2-CB 3.9Å; L79-L111 HydrophobicContact CD2-CD1 3.92Å; L79-L111 HydrophobicContact CD2-CG 4.14Å; V80-L111 PolarHBondContact N-O 3.13Å; L111-V113 HydrophobicContact CB-CG2 4.24Å; L111-V152 HydrophobicContact CD2-CB 3.88Å; L111-V152 HydrophobicContact CD2-CG1 4.44Å; L111-K153 HydrophobicContact CD2-CB 3.8Å; L111-V155 HydrophobicContact CD1-CG2 4.37Å; L111-E171 HydrophobicContact CD1-CB 3.72Å; L111-A172 HydrophobicContact CD1-CB 4Å; L111-A175 HydrophobicContact CD2-CB 4.34Å
112	L	98.9	Very high	97.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125	163.7	-176.5	63.9	0	0	0	108.5	F82 V93 A142 L145 A146 A151 K153 Y154 V155	F82-L112 HydrophobicContact CD1-CD1 3.78Å; F82-L112 HydrophobicContact CD1-CG 4.21Å; F82-L112 HydrophobicContact CE1-CD1 3.97Å; F82-L112 HydrophobicContact CE1-CD2 4.15Å; F82-L112 HydrophobicContact CE1-CG 3.88Å; V93-L112 HydrophobicContact CB-CD1 4.44Å; V93-L112 HydrophobicContact CG1-CD1 3.6Å; V93-L112 HydrophobicContact CG2-CD1 3.99Å; L112-A142 WeakPolarHBondContact CD2-O 3.41Å; L112-L145 HydrophobicContact CD2-CB 4.32Å; L112-L145 HydrophobicContact CD2-CD2 4.32Å; L112-L145 HydrophobicContact CD2-CG 4.42Å; L112-A146 HydrophobicContact CB-CB 4.12Å; L112-A146 HydrophobicContact CD2-CB 3.86Å; L112-A151 HydrophobicContact CB-CB 4.24Å; L112-K153 PolarHBondContact N-O 3.2Å; L112-Y154 HydrophobicContact CB-CD2 4.1Å; L112-Y154 HydrophobicContact CD2-CD2 3.98Å; L112-Y154 HydrophobicContact CD2-CE2 4.46Å; L112-Y154 HydrophobicContact CG-CD2 3.9Å; L112-Y154 HydrophobicContact CG-CE2 4.37Å; L112-Y154 WeakPolarHBondContact O-CA 3.44Å; L112-Y154 WeakPolarHBondContact O-CD2 3.44Å; L112-V155 PolarHBondContact O-N 3.22Å
113	V	98.9	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.1	-174.9	-172.7	0	0	0	0	110.7	L79 V80 C81 F82 L111 T115 V155 V168	L79-V113 HydrophobicContact CB-CG2 4.05Å; L79-V113 HydrophobicContact CD2-CG2 3.89Å; L79-V113 HydrophobicContact CG-CG2 4.42Å; V80-V113 PolarHBondContact O-N 2.91Å; C81-V113 WeakPolarHBondContact CA-O 3.47Å; F82-V113 WeakPolarHBondContact CD1-O 3.16Å; F82-V113 PolarHBondContact N-O 2.63Å; L111-V113 HydrophobicContact CB-CG2 4.24Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; V113-V155 CarbonylContact C-O 3.43Å; V113-V155 WeakPolarHBondContact CA-O 3.27Å; V113-V155 HydrophobicContact CB-CG2 4.38Å; V113-V155 HydrophobicContact CG1-CG2 4.31Å; V113-V155 HydrophobicContact CG2-CG2 3.87Å; V113-V168 HydrophobicContact CG1-CG1 4.12Å; V113-V168 HydrophobicContact CG1-CG2 4.08Å; V113-V168 HydrophobicContact CG2-CG1 4.07Å
114	G	98.8	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.7	169.3	0	0	0	0	0	110.5	V155 E156 C157	G114-V155 PolarHBondContact N-O 3.18Å; G114-E156 CarbonylContact O-C 3.52Å; G114-E156 VanDerWaalsContact O-CA 3.31Å; G114-E156 WeakPolarHBondContact O-CA 3.37Å; G114-C157 PolarHBondContact O-N 2.62Å
115	T	98.8	Very high	97.4	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	168.7	-178.5	64.9	0	0	0	0	111.5	V14 C81 F82 S83 S84 V113 I117 C157	V14-T115 WeakPolarHBondContact O-CB 3.42Å; V14-T115 PolarHBondContact O-OG1 3.13Å; C81-T115 HydrophobicContact CB-CG2 4.16Å; F82-T115 WeakPolarHBondContact O-CB 3.18Å; F82-T115 PolarHBondContact O-N 3.41Å; F82-T115 PolarHBondContact O-OG1 2.7Å; S83-T115 WeakPolarHBondContact CA-OG1 3.44Å; S84-T115 WeakPolarHBondContact CB-O 3.05Å; S84-T115 PolarHBondContact N-O 2.86Å; S84-T115 PolarHBondContact OG-O 2.57Å; S84-T115 VanDerWaalsContact OG-O 3.13Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; T115-I117 VanDerWaalsContact C-N 3.26Å; T115-I117 PolarHBondContact O-N 2.86Å; T115-C157 CarbonylContact C-O 3.38Å; T115-C157 WeakPolarHBondContact CA-O 3.19Å
116	Q	98.3	Very high	97.4	Very high	52 Å²	52	46.6 Å²	46.6	24%	0.243	26%	0.255	C	S	.	.			trans	60.4	32	174.2	-58	174.9	-22.7	0	0	113.8	A13 S83 S84 D118 L119 C157	A13-Q116 PolarHBondContact O-NE2 3Å; A13-Q116 VanDerWaalsContact O-NE2 3.13Å; S83-Q116 PolarHBondContact OG-OE1 3.01Å; S84-Q116 PolarHBondContact OG-O 2.71Å; S84-Q116 VanDerWaalsContact OG-O 3.1Å; Q116-D118 PolarHBondContact O-N 2.89Å; Q116-D118 VanDerWaalsContact O-N 3.12Å; Q116-L119 HydrophobicContact CB-CD1 4.14Å; Q116-L119 HydrophobicContact CB-CG 4.44Å; Q116-L119 WeakPolarHBondContact O-CB 3.39Å; Q116-L119 PolarHBondContact O-N 3.4Å; Q116-C157 PolarHBondContact N-O 3.11Å
117	I	98.4	Very high	97.5	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.072	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.6	-177.6	68	179.6	0	0	0	113.9	S84 T115 L119 R120 E156 C157 R163	S84-I117 WeakPolarHBondContact OG-CA 3.5Å; T115-I117 VanDerWaalsContact C-N 3.26Å; T115-I117 PolarHBondContact O-N 2.86Å; I117-L119 PolarHBondContact O-N 3.05Å; I117-R120 WeakPolarHBondContact O-CB 3.34Å; I117-R120 PolarHBondContact O-N 2.98Å; I117-E156 HydrophobicContact CD1-CB 4.21Å; I117-E156 HydrophobicContact CG2-CB 3.94Å; I117-E156 HydrophobicContact CG2-CG 4.23Å; I117-C157 PolarHBondContact N-O 2.93Å; I117-R163 HydrophobicContact CD1-CG 4.26Å
118	D	97.6	Very high	97.7	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.273	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.5	-25.8	171	53	-74.8	0	0	0	112.6	Q116 S158 T161	Q116-D118 PolarHBondContact O-N 2.89Å; Q116-D118 VanDerWaalsContact O-N 3.12Å; D118-S158 WeakPolarHBondContact CB-OG 3.34Å; D118-S158 WeakPolarHBondContact OD1-CB 3.39Å; D118-S158 PolarHBondContact OD1-OG 2.88Å; D118-T161 HydrophobicContact CB-CG2 4.05Å
119	L	97.8	Very high	97.7	Very high	52 Å²	52	44 Å²	44	27%	0.272	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-86.4	-10.8	178.3	-57.5	-178.2	0	0	0	113.2	V85 Q116 I117 D121 D122 T125	V85-L119 HydrophobicContact CB-CB 4.43Å; V85-L119 HydrophobicContact CG1-CB 3.74Å; V85-L119 WeakPolarHBondContact CG1-O 3.44Å; V85-L119 HydrophobicContact CG2-CB 3.91Å; V85-L119 HydrophobicContact CG2-CD1 3.92Å; Q116-L119 HydrophobicContact CB-CD1 4.14Å; Q116-L119 HydrophobicContact CB-CG 4.44Å; Q116-L119 WeakPolarHBondContact O-CB 3.39Å; Q116-L119 PolarHBondContact O-N 3.4Å; I117-L119 PolarHBondContact O-N 3.05Å; L119-D121 VanDerWaalsContact C-N 3.27Å; L119-D121 PolarHBondContact O-N 3.05Å; L119-D122 HydrophobicContact CD2-CB 4.47Å; L119-D122 PolarHBondContact O-N 2.77Å; L119-T125 HydrophobicContact CB-CG2 4.28Å
120	R	97	Very high	97.6	Very high	38 Å²	38	46.1 Å²	46.1	14%	0.143	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-39.9	-175.7	-178.5	-178.1	-69.8	138.3	-0.9	112.1	I117 V126 P136 I137 E156	I117-R120 WeakPolarHBondContact O-CB 3.34Å; I117-R120 PolarHBondContact O-N 2.98Å; R120-V126 WeakPolarHBondContact O-CG2 3.49Å; R120-P136 HydrophobicContact CG-CB 3.83Å; R120-P136 WeakPolarHBondContact O-CG 3.29Å; R120-I137 PolarHBondContact NE-O 3.45Å; R120-E156 IonicContact CZ-OE1 3.23Å; R120-E156 IonicContact CZ-OE2 2.71Å; R120-E156 IonicContact NH1-OE1 3.9Å; R120-E156 IonicContact NH1-OE2 2.95Å; R120-E156 PolarHBondContact NH1-OE2 2.89Å; R120-E156 IonicContact NH2-OE1 3.55Å; R120-E156 PolarHBondContact NH2-OE1 3.31Å; R120-E156 IonicContact NH2-OE2 2.69Å; R120-E156 PolarHBondContact NH2-OE2 3.15Å; R120-E156 VanDerWaalsContact NH2-OE2 3.15Å
121	D	94	Very high	97.5	Very high	135 Å²	135	52.1 Å²	52.1	72%	0.722	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	5.4	-179.1	-56.9	-45.9	0	0	0	112.4	L119 P123	L119-D121 VanDerWaalsContact C-N 3.27Å; L119-D121 PolarHBondContact O-N 3.05Å; D121-P123 WeakPolarHBondContact O-CD 3.47Å
122	D	97.3	Very high	97.4	Very high	50 Å²	50	57.7 Å²	57.7	27%	0.267	31%	0.308	S	S	.	.			trans	-67	119.4	177.1	170.5	60.4	0	0	0	110	L119 S124 T125 V126	L119-D122 HydrophobicContact CD2-CB 4.47Å; L119-D122 PolarHBondContact O-N 2.77Å; D122-S124 PolarHBondContact O-N 3.39Å; D122-S124 VanDerWaalsContact O-N 3.16Å; D122-S124 WeakPolarHBondContact OD2-CB 3.22Å; D122-S124 PolarHBondContact OD2-N 2.7Å; D122-S124 PolarHBondContact OD2-OG 2.92Å; D122-T125 PolarHBondContact O-N 3.36Å; D122-T125 VanDerWaalsContact O-N 3.07Å; D122-T125 WeakPolarHBondContact OD2-CB 3.42Å; D122-T125 PolarHBondContact OD2-N 2.7Å; D122-T125 PolarHBondContact OD2-OG1 2.97Å; D122-V126 WeakPolarHBondContact O-CG2 3.33Å; D122-V126 PolarHBondContact O-N 3.42Å
123	P	97.3	Very high	97.3	Very high	101 Å²	101	67.3 Å²	67.3	66%	0.656	35%	0.35	S	S	*	.	H	α-helix	trans	-56.3	-38.5	-175.1	-27.6	35.2	0	0	0	113.3	D121 E127	D121-P123 WeakPolarHBondContact O-CD 3.47Å; P123-E127 WeakPolarHBondContact O-CB 3.43Å; P123-E127 PolarHBondContact O-N 3.35Å
124	S	97.3	Very high	97.2	Very high	55 Å²	55	70.9 Å²	70.9	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-67.9	-38.2	-178.5	89.3	0	0	0	0	111.8	D122 K128	D122-S124 PolarHBondContact O-N 3.39Å; D122-S124 VanDerWaalsContact O-N 3.16Å; D122-S124 WeakPolarHBondContact OD2-CB 3.22Å; D122-S124 PolarHBondContact OD2-N 2.7Å; D122-S124 PolarHBondContact OD2-OG 2.92Å; S124-K128 WeakPolarHBondContact O-CD 3.32Å; S124-K128 VanDerWaalsContact O-CG 3.22Å; S124-K128 WeakPolarHBondContact O-CG 3.46Å; S124-K128 PolarHBondContact O-N 3.03Å; S124-K128 VanDerWaalsContact O-N 3.11Å
125	T	96.6	Very high	97.2	Very high	20 Å²	20	79 Å²	79	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-72.2	-44.3	178.9	-59.2	0	0	0	0	110.9	V85 L119 D122 E127 K128 L129	V85-T125 HydrophobicContact CB-CG2 3.66Å; V85-T125 HydrophobicContact CG1-CG2 3.66Å; V85-T125 HydrophobicContact CG2-CG2 4.08Å; L119-T125 HydrophobicContact CB-CG2 4.28Å; D122-T125 PolarHBondContact O-N 3.36Å; D122-T125 VanDerWaalsContact O-N 3.07Å; D122-T125 WeakPolarHBondContact OD2-CB 3.42Å; D122-T125 PolarHBondContact OD2-N 2.7Å; D122-T125 PolarHBondContact OD2-OG1 2.97Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 3.39Å; T125-K128 PolarHBondContact O-N 3.12Å; T125-L129 HydrophobicContact CG2-CD1 4.28Å; T125-L129 PolarHBondContact O-N 2.71Å
126	V	96.8	Very high	97.1	Very high	59 Å²	59	80.1 Å²	80.1	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-44.1	175.7	174.4	0	0	0	0	111	R120 D122 L129 A130 P136	R120-V126 WeakPolarHBondContact O-CG2 3.49Å; D122-V126 WeakPolarHBondContact O-CG2 3.33Å; D122-V126 PolarHBondContact O-N 3.42Å; V126-L129 PolarHBondContact O-N 3.1Å; V126-A130 WeakPolarHBondContact O-CB 3.07Å; V126-A130 PolarHBondContact O-N 3.13Å; V126-P136 HydrophobicContact CG2-CG 4.16Å
127	E	97.6	Very high	97.2	Very high	110 Å²	110	78 Å²	78	51%	0.514	40%	0.399	S	S	.	.	H	α-helix	trans	-63.2	-42.7	177.6	-165.6	-162.6	147.5	0	0	112	P123 T125 A130 K131	P123-E127 WeakPolarHBondContact O-CB 3.43Å; P123-E127 PolarHBondContact O-N 3.35Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 3.39Å; E127-A130 PolarHBondContact O-N 2.92Å; E127-K131 WeakPolarHBondContact O-CG 3.31Å; E127-K131 PolarHBondContact O-N 2.94Å; E127-K131 WeakPolarHBondContact OE1-CE 3.5Å; E127-K131 IonicContact OE1-NZ 2.8Å; E127-K131 PolarHBondContact OE1-NZ 3.36Å
128	K	97	Very high	97.2	Very high	134 Å²	134	78.9 Å²	78.9	58%	0.583	41%	0.407	S	S	*	.	H	α-helix	trans	-61.1	-44.9	176.6	-75.1	168.7	-171.9	169.5	0	112	S124 T125 K131	S124-K128 WeakPolarHBondContact O-CD 3.32Å; S124-K128 VanDerWaalsContact O-CG 3.22Å; S124-K128 WeakPolarHBondContact O-CG 3.46Å; S124-K128 PolarHBondContact O-N 3.03Å; S124-K128 VanDerWaalsContact O-N 3.11Å; T125-K128 PolarHBondContact O-N 3.12Å; K128-K131 PolarHBondContact O-N 3.23Å
129	L	96.9	Very high	97.2	Very high	14 Å²	14	78.3 Å²	78.3	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-64.5	-42.2	176.7	-73.6	169.8	0	0	0	111.4	V85 P87 T125 V126 K131 N132 K133 Q134 P136	V85-L129 HydrophobicContact CB-CD1 4.14Å; P87-L129 HydrophobicContact CG-CD2 4.37Å; T125-L129 HydrophobicContact CG2-CD1 4.28Å; T125-L129 PolarHBondContact O-N 2.71Å; V126-L129 PolarHBondContact O-N 3.1Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 2.85Å; L129-N132 CarbonylContact O-C 3.42Å; L129-N132 WeakPolarHBondContact O-CA 3.35Å; L129-N132 PolarHBondContact O-N 2.87Å; L129-K133 PolarHBondContact O-N 3.05Å; L129-Q134 CarbonylContact C-O 3.26Å; L129-Q134 VanDerWaalsContact C-O 3.26Å; L129-Q134 HydrophobicContact CB-CB 4.23Å; L129-Q134 HydrophobicContact CD2-CB 3.98Å; L129-Q134 PolarHBondContact O-N 3.3Å; L129-P136 HydrophobicContact CD1-CB 4.47Å; L129-P136 HydrophobicContact CD1-CG 3.81Å
130	A	97.1	Very high	97.2	Very high	61 Å²	61	81.8 Å²	81.8	50%	0.504	42%	0.421	S	S	.	.	H	α-helix	trans	-60.7	-36.8	178.3	0	0	0	0	0	112.6	V126 E127 N132 K133 Q134	V126-A130 WeakPolarHBondContact O-CB 3.07Å; V126-A130 PolarHBondContact O-N 3.13Å; E127-A130 PolarHBondContact O-N 2.92Å; A130-N132 PolarHBondContact O-N 2.96Å; A130-K133 PolarHBondContact O-N 3.17Å; A130-Q134 PolarHBondContact N-O 2.88Å
131	K	97.3	Very high	97.3	Very high	144 Å²	144	84.5 Å²	84.5	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-58.3	-31.9	173.3	-73.7	171.2	-176.7	166.1	0	112.6	E127 K128 L129	E127-K131 WeakPolarHBondContact O-CG 3.31Å; E127-K131 PolarHBondContact O-N 2.94Å; E127-K131 WeakPolarHBondContact OE1-CE 3.5Å; E127-K131 IonicContact OE1-NZ 2.8Å; E127-K131 PolarHBondContact OE1-NZ 3.36Å; K128-K131 PolarHBondContact O-N 3.23Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 2.85Å
132	N	95.8	Very high	97.5	Very high	116 Å²	116	78.1 Å²	78.1	62%	0.62	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	13.5	175.8	-64.2	-25.3	0	0	0	113.3	L129 A130 Q134	L129-N132 CarbonylContact O-C 3.42Å; L129-N132 WeakPolarHBondContact O-CA 3.35Å; L129-N132 PolarHBondContact O-N 2.87Å; A130-N132 PolarHBondContact O-N 2.96Å; N132-Q134 PolarHBondContact O-N 3.5Å
133	K	97.1	Very high	97.6	Very high	203 Å²	203	80 Å²	80	88%	0.883	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	26.8	-175.5	-54.4	177.7	-179.3	176.6	0	113.7	L129 A130	L129-K133 PolarHBondContact O-N 3.05Å; A130-K133 PolarHBondContact O-N 3.17Å
134	Q	97.3	Very high	97.6	Very high	75 Å²	75	80.6 Å²	80.6	35%	0.35	40%	0.402	S	S	.	.			trans	-107.7	165.2	178.9	-75.6	178.3	-30.1	0	0	110.7	P87 L129 A130 N132	P87-Q134 HydrophobicContact CG-CB 4.12Å; P87-Q134 HydrophobicContact CG-CG 4.23Å; L129-Q134 CarbonylContact C-O 3.26Å; L129-Q134 VanDerWaalsContact C-O 3.26Å; L129-Q134 HydrophobicContact CB-CB 4.23Å; L129-Q134 HydrophobicContact CD2-CB 3.98Å; L129-Q134 PolarHBondContact O-N 3.3Å; A130-Q134 PolarHBondContact N-O 2.88Å; N132-Q134 PolarHBondContact O-N 3.5Å
135	K	97.5	Very high	97.7	Very high	171 Å²	171	79 Å²	79	74%	0.743	39%	0.388	S	S	*	.			trans	-135.5	154.9	173.4	-65.8	-175.9	-179	-178.5	0	109.4
136	P	98.3	Very high	97.8	Very high	28 Å²	28	78.2 Å²	78.2	18%	0.182	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-54.2	148.9	167.7	-23.4	33	0	0	0	111.5	S84 V85 R120 V126 L129 S138	S84-P136 CarbonylContact O-C 3.5Å; S84-P136 WeakPolarHBondContact O-CA 3.4Å; V85-P136 HydrophobicContact CG1-CB 4.37Å; R120-P136 HydrophobicContact CG-CB 3.83Å; R120-P136 WeakPolarHBondContact O-CG 3.29Å; V126-P136 HydrophobicContact CG2-CG 4.16Å; L129-P136 HydrophobicContact CD1-CB 4.47Å; L129-P136 HydrophobicContact CD1-CG 3.81Å; P136-S138 PolarHBondContact O-N 3.02Å
137	I	98.6	Very high	97.9	Very high	6 Å²	6	82.8 Å²	82.8	3%	0.031	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-72.6	125.1	176.3	-55.3	-54.9	0	0	0	109.2	F82 S84 P87 F90 R120 M141 A142	F82-I137 HydrophobicContact CE2-CB 4.06Å; F82-I137 HydrophobicContact CE2-CG1 4.25Å; F82-I137 HydrophobicContact CE2-CG2 3.86Å; F82-I137 HydrophobicContact CZ-CG2 4.29Å; S84-I137 PolarHBondContact O-N 3Å; P87-I137 HydrophobicContact CB-CD1 4.18Å; P87-I137 HydrophobicContact CG-CD1 4.34Å; F90-I137 HydrophobicContact CB-CD1 4.06Å; F90-I137 HydrophobicContact CB-CG1 3.94Å; F90-I137 HydrophobicContact CD1-CD1 3.86Å; F90-I137 HydrophobicContact CD1-CG1 4.35Å; F90-I137 HydrophobicContact CD1-CG2 4.33Å; F90-I137 HydrophobicContact CD2-CG2 3.96Å; F90-I137 HydrophobicContact CE1-CG2 4.32Å; F90-I137 HydrophobicContact CE2-CG2 3.94Å; F90-I137 HydrophobicContact CG-CD1 4.03Å; F90-I137 HydrophobicContact CG-CG1 4.02Å; F90-I137 HydrophobicContact CG-CG2 4.14Å; F90-I137 HydrophobicContact CZ-CG2 4.12Å; R120-I137 PolarHBondContact NE-O 3.45Å; I137-M141 HydrophobicContact CD1-CE 4.34Å; I137-M141 HydrophobicContact CG2-CB 4.28Å; I137-A142 HydrophobicContact CG2-CB 4.22Å
138	S	98.3	Very high	97.9	Very high	34 Å²	34	82.2 Å²	82.2	24%	0.238	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-80	151.9	176.5	91.8	0	0	0	0	111	P136 E140 M141 A142	P136-S138 PolarHBondContact O-N 3.02Å; S138-E140 WeakPolarHBondContact CB-OE2 3.35Å; S138-E140 PolarHBondContact O-N 3.29Å; S138-E140 PolarHBondContact OG-N 3.31Å; S138-E140 PolarHBondContact OG-OE2 3.47Å; S138-M141 PolarHBondContact O-N 3.5Å; S138-M141 PolarHBondContact OG-N 3.18Å; S138-A142 PolarHBondContact O-N 3.47Å
139	P	98.3	Very high	98	Very high	39 Å²	39	77.3 Å²	77.3	25%	0.253	38%	0.376	S	S	.	.	H	α-helix	trans	-54.4	-39.3	175.4	-26.2	35.2	0	0	0	112.6	M141 A142 E143	P139-M141 PolarHBondContact O-N 3.28Å; P139-A142 PolarHBondContact O-N 2.73Å; P139-E143 WeakPolarHBondContact O-CB 3.41Å; P139-E143 WeakPolarHBondContact O-CG 3.48Å; P139-E143 PolarHBondContact O-N 3.08Å
140	E	98.6	Very high	98	Very high	124 Å²	124	85.3 Å²	85.3	58%	0.579	41%	0.41	S	S	*	.	H	α-helix	trans	-65.8	-38.4	-177.5	-54.6	74	-159.8	0	0	112.2	S138 K144	S138-E140 WeakPolarHBondContact CB-OE2 3.35Å; S138-E140 PolarHBondContact O-N 3.29Å; S138-E140 PolarHBondContact OG-N 3.31Å; S138-E140 PolarHBondContact OG-OE2 3.47Å; E140-K144 WeakPolarHBondContact O-CB 3.38Å; E140-K144 PolarHBondContact O-N 3.4Å
141	M	98.4	Very high	98	Very high	96 Å²	96	83.2 Å²	83.2	47%	0.473	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-44.9	174.7	-70.9	176.9	62.8	0	0	110.7	F90 I137 S138 P139 K144 L145	F90-M141 HydrophobicContact CE1-CE 4.36Å; F90-M141 HydrophobicContact CZ-CB 4.35Å; I137-M141 HydrophobicContact CD1-CE 4.34Å; I137-M141 HydrophobicContact CG2-CB 4.28Å; S138-M141 PolarHBondContact O-N 3.5Å; S138-M141 PolarHBondContact OG-N 3.18Å; P139-M141 PolarHBondContact O-N 3.28Å; M141-K144 PolarHBondContact O-N 2.91Å; M141-L145 PolarHBondContact O-N 3.29Å
142	A	98.6	Very high	98.1	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-71.8	-38.8	-177.9	0	0	0	0	0	112.9	F82 F90 L112 I137 S138 P139 K144 L145 A146 Y154	F82-A142 HydrophobicContact CE1-CB 4.26Å; F82-A142 HydrophobicContact CZ-CB 3.69Å; F90-A142 HydrophobicContact CE2-CB 3.81Å; F90-A142 HydrophobicContact CZ-CB 4.33Å; L112-A142 WeakPolarHBondContact CD2-O 3.41Å; I137-A142 HydrophobicContact CG2-CB 4.22Å; S138-A142 PolarHBondContact O-N 3.47Å; P139-A142 PolarHBondContact O-N 2.73Å; A142-K144 VanDerWaalsContact C-N 3.32Å; A142-K144 PolarHBondContact O-N 3.38Å; A142-L145 PolarHBondContact O-N 3.46Å; A142-A146 WeakPolarHBondContact O-CB 3.32Å; A142-A146 PolarHBondContact O-N 3.12Å; A142-Y154 HydrophobicContact CB-CD1 4.25Å; A142-Y154 HydrophobicContact CB-CD2 4.07Å; A142-Y154 HydrophobicContact CB-CE1 3.65Å; A142-Y154 HydrophobicContact CB-CE2 3.48Å; A142-Y154 VanDerWaalsContact CB-CE2 3.48Å; A142-Y154 HydrophobicContact CB-CG 4.41Å; A142-Y154 VanDerWaalsContact CB-OH 3.28Å; A142-Y154 WeakPolarHBondContact CB-OH 3.45Å
143	E	98.7	Very high	98.2	Very high	89 Å²	89	78 Å²	78	42%	0.416	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-42	170.4	-76.7	-174.6	-172.8	0	0	112.3	P139 L145 A146 R147 Y154	P139-E143 WeakPolarHBondContact O-CB 3.41Å; P139-E143 WeakPolarHBondContact O-CG 3.48Å; P139-E143 PolarHBondContact O-N 3.08Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-A146 PolarHBondContact O-N 3.49Å; E143-R147 WeakPolarHBondContact O-CG 3.49Å; E143-R147 PolarHBondContact O-N 3.48Å; E143-R147 IonicContact OE2-NH1 3.05Å; E143-Y154 HydrophobicContact CB-CD1 4.48Å; E143-Y154 HydrophobicContact CG-CD1 3.6Å; E143-Y154 HydrophobicContact CG-CE1 4.35Å; E143-Y154 HydrophobicContact CG-CG 4.39Å
144	K	98.7	Very high	98.2	Very high	115 Å²	115	69.7 Å²	69.7	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-46	175.1	-178.2	-177.8	178	-64.5	0	110.6	E140 M141 A142 A146 R147 D148	E140-K144 WeakPolarHBondContact O-CB 3.38Å; E140-K144 PolarHBondContact O-N 3.4Å; M141-K144 PolarHBondContact O-N 2.91Å; A142-K144 VanDerWaalsContact C-N 3.32Å; A142-K144 PolarHBondContact O-N 3.38Å; K144-A146 PolarHBondContact O-N 3.39Å; K144-R147 PolarHBondContact O-N 3.23Å; K144-D148 IonicContact NZ-OD2 2.83Å; K144-D148 PolarHBondContact NZ-OD2 3.01Å; K144-D148 WeakPolarHBondContact O-CB 3.34Å; K144-D148 VanDerWaalsContact O-CG 3.22Å; K144-D148 PolarHBondContact O-N 2.87Å
145	L	98.6	Very high	98.3	Very high	20 Å²	20	66.4 Å²	66.4	11%	0.105	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-43.4	177.6	-174.6	65.6	0	0	0	111.9	F90 V93 K94 L112 M141 A142 E143 R147 D148 L149	F90-L145 HydrophobicContact CD2-CD2 3.86Å; F90-L145 HydrophobicContact CE1-CD2 4.06Å; F90-L145 HydrophobicContact CE2-CB 4.02Å; F90-L145 HydrophobicContact CE2-CD2 3.35Å; F90-L145 HydrophobicContact CE2-CG 4.31Å; F90-L145 HydrophobicContact CG-CD2 4.42Å; F90-L145 HydrophobicContact CZ-CB 3.66Å; F90-L145 HydrophobicContact CZ-CD2 3.47Å; F90-L145 VanDerWaalsContact CZ-CD2 3.47Å; F90-L145 HydrophobicContact CZ-CG 4.16Å; V93-L145 HydrophobicContact CB-CD2 4.1Å; V93-L145 HydrophobicContact CG1-CD2 4.04Å; K94-L145 HydrophobicContact CB-CD1 4.36Å; L112-L145 HydrophobicContact CD2-CB 4.32Å; L112-L145 HydrophobicContact CD2-CD2 4.32Å; L112-L145 HydrophobicContact CD2-CG 4.42Å; M141-L145 PolarHBondContact O-N 3.29Å; A142-L145 PolarHBondContact O-N 3.46Å; E143-L145 VanDerWaalsContact C-N 3.34Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 3.07Å; L145-D148 PolarHBondContact O-N 3.41Å; L145-L149 HydrophobicContact CD1-CD1 3.73Å; L145-L149 HydrophobicContact CD1-CG 3.95Å; L145-L149 HydrophobicContact CD2-CD1 4.21Å; L145-L149 HydrophobicContact CG-CD1 3.69Å; L145-L149 HydrophobicContact CG-CG 4.2Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.4Å; L145-L149 PolarHBondContact O-N 3Å
146	A	98.6	Very high	98.4	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-43.8	176.7	0	0	0	0	0	112	L112 A142 E143 K144 L149 K150 A151	L112-A146 HydrophobicContact CB-CB 4.12Å; L112-A146 HydrophobicContact CD2-CB 3.86Å; A142-A146 WeakPolarHBondContact O-CB 3.32Å; A142-A146 PolarHBondContact O-N 3.12Å; E143-A146 PolarHBondContact O-N 3.49Å; K144-A146 PolarHBondContact O-N 3.39Å; A146-L149 PolarHBondContact O-N 2.94Å; A146-K150 PolarHBondContact O-N 2.94Å; A146-A151 HydrophobicContact CB-CB 4.03Å; A146-A151 PolarHBondContact O-N 3.09Å
147	R	98.3	Very high	98.4	Very high	155 Å²	155	59 Å²	59	59%	0.585	28%	0.283	S	S	*	.	H	α-helix	trans	-63.7	-47.6	174.3	-71.6	-172.5	-65.5	-92.6	1	112.1	E143 K144 L145 L149 K150	E143-R147 WeakPolarHBondContact O-CG 3.49Å; E143-R147 PolarHBondContact O-N 3.48Å; E143-R147 IonicContact OE2-NH1 3.05Å; K144-R147 PolarHBondContact O-N 3.23Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 3.07Å; R147-L149 PolarHBondContact O-N 3.03Å; R147-K150 PolarHBondContact O-N 3Å; R147-K150 VanDerWaalsContact O-N 3.12Å
148	D	98.2	Very high	98.4	Very high	97 Å²	97	58.7 Å²	58.7	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-36.1	-179.2	-70.1	-14.3	0	0	0	111.4	K144 L145	K144-D148 IonicContact NZ-OD2 2.83Å; K144-D148 PolarHBondContact NZ-OD2 3.01Å; K144-D148 WeakPolarHBondContact O-CB 3.34Å; K144-D148 VanDerWaalsContact O-CG 3.22Å; K144-D148 PolarHBondContact O-N 2.87Å; L145-D148 PolarHBondContact O-N 3.41Å
149	L	98	Very high	98.3	Very high	32 Å²	32	57.6 Å²	57.6	17%	0.168	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.2	179.2	-61	180	0	0	0	114.1	V93 K94 V98 F110 L145 A146 R147 A151	V93-L149 HydrophobicContact CG1-CD1 3.6Å; K94-L149 HydrophobicContact CB-CD1 4.37Å; K94-L149 HydrophobicContact CB-CD2 4.33Å; K94-L149 HydrophobicContact CG-CD2 4.12Å; V98-L149 HydrophobicContact CB-CD1 4.42Å; V98-L149 HydrophobicContact CG2-CD1 3.88Å; F110-L149 HydrophobicContact CZ-CB 4.12Å; F110-L149 WeakPolarHBondContact CZ-O 3.41Å; L145-L149 HydrophobicContact CD1-CD1 3.73Å; L145-L149 HydrophobicContact CD1-CG 3.95Å; L145-L149 HydrophobicContact CD2-CD1 4.21Å; L145-L149 HydrophobicContact CG-CD1 3.69Å; L145-L149 HydrophobicContact CG-CG 4.2Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.4Å; L145-L149 PolarHBondContact O-N 3Å; A146-L149 PolarHBondContact O-N 2.94Å; R147-L149 PolarHBondContact O-N 3.03Å; L149-A151 VanDerWaalsContact C-N 3.27Å; L149-A151 PolarHBondContact O-N 3.02Å
150	K	97.3	Very high	98.2	Very high	182 Å²	182	60.4 Å²	60.4	79%	0.791	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	36.1	-177.4	-50.1	176.2	-176.9	176.5	0	113.4	A146 R147	A146-K150 PolarHBondContact O-N 2.94Å; R147-K150 PolarHBondContact O-N 3Å; R147-K150 VanDerWaalsContact O-N 3.12Å
151	A	98.2	Very high	98.1	Very high	16 Å²	16	58.5 Å²	58.5	13%	0.132	28%	0.284	C	S	.	.			trans	-60.2	148.3	165.9	0	0	0	0	0	109.4	F110 L112 A146 L149 K153	F110-A151 HydrophobicContact CD2-CB 3.98Å; F110-A151 HydrophobicContact CE2-CB 3.47Å; F110-A151 VanDerWaalsContact CE2-CB 3.47Å; F110-A151 HydrophobicContact CZ-CB 3.81Å; L112-A151 HydrophobicContact CB-CB 4.24Å; A146-A151 HydrophobicContact CB-CB 4.03Å; A146-A151 PolarHBondContact O-N 3.09Å; L149-A151 VanDerWaalsContact C-N 3.27Å; L149-A151 PolarHBondContact O-N 3.02Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.15Å
152	V	97.9	Very high	98	Very high	61 Å²	61	57.8 Å²	57.8	37%	0.37	28%	0.279	S	S	.	.	S	Bend	trans	-63.2	-41.2	176.3	-178.1	0	0	0	0	110.2	P109 F110 L111 A175 P180	P109-V152 HydrophobicContact CB-CG2 3.56Å; F110-V152 PolarHBondContact O-N 2.86Å; L111-V152 HydrophobicContact CD2-CB 3.88Å; L111-V152 HydrophobicContact CD2-CG1 4.44Å; V152-A175 HydrophobicContact CB-CB 4.28Å; V152-A175 HydrophobicContact CG1-CB 4Å; V152-A175 HydrophobicContact CG2-CB 4.27Å; V152-P180 HydrophobicContact CG2-CG 3.9Å
153	K	98.2	Very high	98	Very high	90 Å²	90	66.4 Å²	66.4	39%	0.391	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	156	176.4	-150.6	172.6	-172.9	166.6	0	111.7	L111 L112 A151 V155 E171	L111-K153 HydrophobicContact CD2-CB 3.8Å; L112-K153 PolarHBondContact N-O 3.2Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.15Å; K153-V155 HydrophobicContact CD-CG1 4.31Å; K153-V155 HydrophobicContact CG-CG1 4.49Å; K153-E171 HydrophobicContact CD-CG 4.06Å; K153-E171 WeakPolarHBondContact CD-OE2 3.38Å; K153-E171 IonicContact NZ-OE1 3.54Å; K153-E171 PolarHBondContact NZ-OE1 2.96Å; K153-E171 IonicContact NZ-OE2 3.43Å; K153-E171 PolarHBondContact NZ-OE2 3.45Å
154	Y	98.8	Very high	97.9	Very high	29 Å²	29	63.6 Å²	63.6	11%	0.114	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.1	160.5	175.9	-123.1	0	0	0	109.9	F82 L112 A142 E143 E156	F82-Y154 AromaticContact CE1-CE2 3.78Å; F82-Y154 HydrophobicContact CE1-CE2 3.78Å; F82-Y154 AromaticContact CZ-CE2 3.9Å; F82-Y154 HydrophobicContact CZ-CE2 3.9Å; L112-Y154 HydrophobicContact CB-CD2 4.1Å; L112-Y154 HydrophobicContact CD2-CD2 3.98Å; L112-Y154 HydrophobicContact CD2-CE2 4.46Å; L112-Y154 HydrophobicContact CG-CD2 3.9Å; L112-Y154 HydrophobicContact CG-CE2 4.37Å; L112-Y154 WeakPolarHBondContact O-CA 3.44Å; L112-Y154 WeakPolarHBondContact O-CD2 3.44Å; A142-Y154 HydrophobicContact CB-CD1 4.25Å; A142-Y154 HydrophobicContact CB-CD2 4.07Å; A142-Y154 HydrophobicContact CB-CE1 3.65Å; A142-Y154 HydrophobicContact CB-CE2 3.48Å; A142-Y154 VanDerWaalsContact CB-CE2 3.48Å; A142-Y154 HydrophobicContact CB-CG 4.41Å; A142-Y154 VanDerWaalsContact CB-OH 3.28Å; A142-Y154 WeakPolarHBondContact CB-OH 3.45Å; E143-Y154 HydrophobicContact CB-CD1 4.48Å; E143-Y154 HydrophobicContact CG-CD1 3.6Å; E143-Y154 HydrophobicContact CG-CE1 4.35Å; E143-Y154 HydrophobicContact CG-CG 4.39Å; Y154-E156 HydrophobicContact CE1-CG 3.58Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.41Å; Y154-E156 HydrophobicContact CE2-CG 4.16Å; Y154-E156 WeakPolarHBondContact OH-CG 3.46Å; Y154-E156 PolarHBondContact OH-OE1 2.81Å
155	V	98.7	Very high	97.8	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.4	175	-68.1	0	0	0	0	110.7	L111 L112 V113 G114 K153 V168 E171	L111-V155 HydrophobicContact CD1-CG2 4.37Å; L112-V155 PolarHBondContact O-N 3.22Å; V113-V155 CarbonylContact C-O 3.43Å; V113-V155 WeakPolarHBondContact CA-O 3.27Å; V113-V155 HydrophobicContact CB-CG2 4.38Å; V113-V155 HydrophobicContact CG1-CG2 4.31Å; V113-V155 HydrophobicContact CG2-CG2 3.87Å; G114-V155 PolarHBondContact N-O 3.18Å; K153-V155 HydrophobicContact CD-CG1 4.31Å; K153-V155 HydrophobicContact CG-CG1 4.49Å; V155-V168 HydrophobicContact CB-CG2 4.35Å; V155-V168 HydrophobicContact CG2-CB 4.33Å; V155-V168 HydrophobicContact CG2-CG1 4.28Å; V155-V168 HydrophobicContact CG2-CG2 3.88Å; V155-E171 HydrophobicContact CG1-CB 4.32Å; V155-E171 HydrophobicContact CG1-CG 4.03Å
156	E	98.6	Very high	97.6	Very high	41 Å²	41	63.6 Å²	63.6	19%	0.192	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.8	179.3	-73.6	-167	167.6	0	0	111.6	G114 I117 R120 Y154	G114-E156 CarbonylContact O-C 3.52Å; G114-E156 VanDerWaalsContact O-CA 3.31Å; G114-E156 WeakPolarHBondContact O-CA 3.37Å; I117-E156 HydrophobicContact CD1-CB 4.21Å; I117-E156 HydrophobicContact CG2-CB 3.94Å; I117-E156 HydrophobicContact CG2-CG 4.23Å; R120-E156 IonicContact CZ-OE1 3.23Å; R120-E156 IonicContact CZ-OE2 2.71Å; R120-E156 IonicContact NH1-OE1 3.9Å; R120-E156 IonicContact NH1-OE2 2.95Å; R120-E156 PolarHBondContact NH1-OE2 2.89Å; R120-E156 IonicContact NH2-OE1 3.55Å; R120-E156 PolarHBondContact NH2-OE1 3.31Å; R120-E156 IonicContact NH2-OE2 2.69Å; R120-E156 PolarHBondContact NH2-OE2 3.15Å; R120-E156 VanDerWaalsContact NH2-OE2 3.15Å; Y154-E156 HydrophobicContact CE1-CG 3.58Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.41Å; Y154-E156 HydrophobicContact CE2-CG 4.16Å; Y154-E156 WeakPolarHBondContact OH-CG 3.46Å; Y154-E156 PolarHBondContact OH-OE1 2.81Å
157	C	98.6	Very high	97.6	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.007	32%	0.322	C	S	.	.			trans	-151.7	159.7	175.2	72.6	0	0	0	0	113.9	L19 G114 T115 Q116 I117 R163 V168	L19-C157 HydrophobicContact CD1-CB 4.49Å; L19-C157 WeakPolarHBondContact CD1-SG 3.35Å; G114-C157 PolarHBondContact O-N 2.62Å; T115-C157 CarbonylContact C-O 3.38Å; T115-C157 WeakPolarHBondContact CA-O 3.19Å; Q116-C157 PolarHBondContact N-O 3.11Å; I117-C157 PolarHBondContact N-O 2.93Å; C157-R163 CarbonylContact C-O 3.58Å; C157-R163 WeakPolarHBondContact CA-O 3.39Å; C157-R163 WeakPolarHBondContact CB-O 3.39Å; C157-V168 HydrophobicContact CB-CG2 3.79Å
158	S	98.3	Very high	97.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.			trans	-121.5	116.2	163.2	167.1	0	0	0	0	107.3	D118 L160 T161 Q162 R163	D118-S158 WeakPolarHBondContact CB-OG 3.34Å; D118-S158 WeakPolarHBondContact OD1-CB 3.39Å; D118-S158 PolarHBondContact OD1-OG 2.88Å; S158-L160 PolarHBondContact O-N 3.35Å; S158-L160 PolarHBondContact OG-N 3.16Å; S158-T161 WeakPolarHBondContact CB-OG1 3.5Å; S158-T161 PolarHBondContact OG-N 3.23Å; S158-T161 PolarHBondContact OG-OG1 2.52Å; S158-Q162 CarbonylContact O-C 3.54Å; S158-Q162 WeakPolarHBondContact O-CA 3.22Å; S158-Q162 PolarHBondContact O-N 2.69Å; S158-R163 PolarHBondContact N-O 2.84Å; S158-R163 PolarHBondContact O-N 3.26Å
159	A	97.3	Very high	97.5	Very high	12 Å²	12	54.7 Å²	54.7	10%	0.099	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31	172.7	0	0	0	0	0	111.3	C18 S22 F28	C18-A159 HydrophobicContact CB-CB 4Å; S22-A159 PolarHBondContact OG-O 3.07Å; S22-A159 VanDerWaalsContact OG-O 3.11Å; F28-A159 HydrophobicContact CD2-CB 4.07Å; F28-A159 HydrophobicContact CE2-CB 3.96Å
160	L	95.8	Very high	97.4	Very high	97 Å²	97	55.7 Å²	55.7	51%	0.508	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-48.6	-179.6	179	62.6	0	0	0	112.2	F28 S158	F28-L160 HydrophobicContact CB-CD1 4.33Å; F28-L160 HydrophobicContact CD1-CD1 3.95Å; F28-L160 VanDerWaalsContact CD2-CA 3.46Å; F28-L160 HydrophobicContact CD2-CB 4.07Å; F28-L160 HydrophobicContact CD2-CD1 4.25Å; F28-L160 HydrophobicContact CE1-CD1 4.31Å; F28-L160 HydrophobicContact CE2-CB 4.06Å; F28-L160 HydrophobicContact CG-CD1 3.91Å; S158-L160 PolarHBondContact O-N 3.35Å; S158-L160 PolarHBondContact OG-N 3.16Å
161	T	96.4	Very high	97.4	Very high	84 Å²	84	48.7 Å²	48.7	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.8	-178.6	65.1	0	0	0	0	112.9	D118 S158 R163	D118-T161 HydrophobicContact CB-CG2 4.05Å; S158-T161 WeakPolarHBondContact CB-OG1 3.5Å; S158-T161 PolarHBondContact OG-N 3.23Å; S158-T161 PolarHBondContact OG-OG1 2.52Å; T161-R163 PolarHBondContact O-N 3.24Å; T161-R163 WeakPolarHBondContact OG1-CB 3.34Å; T161-R163 PolarHBondContact OG1-N 2.82Å
162	Q	96.1	Very high	97.4	Very high	81 Å²	81	48 Å²	48	38%	0.379	24%	0.239	S	C	.	.			trans	58.9	7.3	-171.8	-57.9	179.8	-13.3	0	0	114.9	N26 S158 G164 L165	N26-Q162 PolarHBondContact O-NE2 3.34Å; S158-Q162 CarbonylContact O-C 3.54Å; S158-Q162 WeakPolarHBondContact O-CA 3.22Å; S158-Q162 PolarHBondContact O-N 2.69Å; Q162-G164 PolarHBondContact O-N 3.2Å; Q162-L165 HydrophobicContact CB-CD2 4.28Å; Q162-L165 HydrophobicContact CG-CD2 4.11Å; Q162-L165 WeakPolarHBondContact O-CB 3.45Å; Q162-L165 PolarHBondContact O-N 3.23Å
163	R	98	Very high	97.3	Very high	182 Å²	182	45.5 Å²	45.5	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	126	175.7	-176.3	177.9	178.1	-177.9	-0.4	109.6	I117 C157 S158 T161 L165	I117-R163 HydrophobicContact CD1-CG 4.26Å; C157-R163 CarbonylContact C-O 3.58Å; C157-R163 WeakPolarHBondContact CA-O 3.39Å; C157-R163 WeakPolarHBondContact CB-O 3.39Å; S158-R163 PolarHBondContact N-O 2.84Å; S158-R163 PolarHBondContact O-N 3.26Å; T161-R163 PolarHBondContact O-N 3.24Å; T161-R163 WeakPolarHBondContact OG1-CB 3.34Å; T161-R163 PolarHBondContact OG1-N 2.82Å; R163-L165 PolarHBondContact O-N 2.99Å; R163-L165 VanDerWaalsContact O-N 3.13Å
164	G	97.8	Very high	97.1	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-3.6	177.6	0	0	0	0	0	115.3	Q162 K166 N167 V168	Q162-G164 PolarHBondContact O-N 3.2Å; G164-K166 PolarHBondContact O-N 3.27Å; G164-N167 WeakPolarHBondContact O-CB 3.36Å; G164-N167 PolarHBondContact O-N 3.38Å; G164-V168 PolarHBondContact O-N 3.43Å
165	L	96.3	Very high	97	Very high	7 Å²	7	44 Å²	44	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-52.2	-172.1	-176.8	62.4	0	0	0	112.6	L19 S22 Q162 R163 N167 V168 F169	L19-L165 HydrophobicContact CD1-CD1 3.35Å; L19-L165 HydrophobicContact CG-CD1 4.18Å; S22-L165 VanDerWaalsContact OG-CD2 3.3Å; S22-L165 WeakPolarHBondContact OG-CD2 3.26Å; Q162-L165 HydrophobicContact CB-CD2 4.28Å; Q162-L165 HydrophobicContact CG-CD2 4.11Å; Q162-L165 WeakPolarHBondContact O-CB 3.45Å; Q162-L165 PolarHBondContact O-N 3.23Å; R163-L165 PolarHBondContact O-N 2.99Å; R163-L165 VanDerWaalsContact O-N 3.13Å; L165-N167 VanDerWaalsContact C-N 3.27Å; L165-N167 PolarHBondContact O-N 3.39Å; L165-V168 WeakPolarHBondContact O-CB 3.44Å; L165-V168 PolarHBondContact O-N 3.39Å; L165-F169 HydrophobicContact CD1-CE2 3.98Å; L165-F169 VanDerWaalsContact O-CD2 3.27Å; L165-F169 WeakPolarHBondContact O-CD2 3.45Å
166	K	95.1	Very high	96.8	Very high	128 Å²	128	44.7 Å²	44.7	56%	0.557	23%	0.228	S	C	*	.	H	α-helix	trans	-59	-40.5	177.3	-170.2	-170.3	-178.7	-57.9	0	111.9	G164 V168 F169 D170	G164-K166 PolarHBondContact O-N 3.27Å; K166-V168 VanDerWaalsContact C-N 3.28Å; K166-V168 PolarHBondContact O-N 2.79Å; K166-F169 PolarHBondContact O-N 3.23Å; K166-F169 VanDerWaalsContact O-N 3.15Å; K166-D170 IonicContact NZ-OD1 2.62Å; K166-D170 PolarHBondContact NZ-OD1 3.5Å; K166-D170 IonicContact NZ-OD2 2.87Å; K166-D170 PolarHBondContact NZ-OD2 2.89Å; K166-D170 PolarHBondContact O-N 2.86Å
167	N	97.4	Very high	96.5	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-34.9	-178.4	-173.6	76.5	0	0	0	112.2	G164 L165 F169 E171	G164-N167 WeakPolarHBondContact O-CB 3.36Å; G164-N167 PolarHBondContact O-N 3.38Å; L165-N167 VanDerWaalsContact C-N 3.27Å; L165-N167 PolarHBondContact O-N 3.39Å; N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 PolarHBondContact O-N 3.05Å; N167-E171 WeakPolarHBondContact O-CB 3.28Å; N167-E171 WeakPolarHBondContact O-CG 3.37Å; N167-E171 PolarHBondContact O-N 3.21Å
168	V	98.4	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-47.1	175.1	176.1	0	0	0	0	111.1	L19 L79 V113 V155 C157 G164 L165 K166 A172	L19-V168 HydrophobicContact CD2-CG1 4.47Å; L79-V168 HydrophobicContact CD1-CG1 3.77Å; L79-V168 HydrophobicContact CD2-CG1 4.1Å; V113-V168 HydrophobicContact CG1-CG1 4.12Å; V113-V168 HydrophobicContact CG1-CG2 4.08Å; V113-V168 HydrophobicContact CG2-CG1 4.07Å; V155-V168 HydrophobicContact CB-CG2 4.35Å; V155-V168 HydrophobicContact CG2-CB 4.33Å; V155-V168 HydrophobicContact CG2-CG1 4.28Å; V155-V168 HydrophobicContact CG2-CG2 3.88Å; C157-V168 HydrophobicContact CB-CG2 3.79Å; G164-V168 PolarHBondContact O-N 3.43Å; L165-V168 WeakPolarHBondContact O-CB 3.44Å; L165-V168 PolarHBondContact O-N 3.39Å; K166-V168 VanDerWaalsContact C-N 3.28Å; K166-V168 PolarHBondContact O-N 2.79Å; V168-A172 WeakPolarHBondContact O-CB 3.47Å; V168-A172 PolarHBondContact O-N 3.45Å; V168-A172 VanDerWaalsContact O-N 3.12Å
169	F	97	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-79.3	-34.8	-176.3	-62.1	-80.7	0	0	0	112.7	L19 L20 Y23 L53 L55 L79 L165 K166 N167 E171 A172 I173	L19-F169 HydrophobicContact CD1-CE2 4.25Å; L19-F169 HydrophobicContact CD1-CZ 4.47Å; L19-F169 HydrophobicContact CD2-CZ 4.22Å; L19-F169 HydrophobicContact CG-CE2 4.16Å; L19-F169 HydrophobicContact CG-CZ 3.9Å; L20-F169 HydrophobicContact CD2-CE1 3.79Å; L20-F169 HydrophobicContact CD2-CZ 3.84Å; Y23-F169 AromaticContact CD1-CD1 3.98Å; Y23-F169 HydrophobicContact CD1-CD1 3.98Å; Y23-F169 AromaticContact CD1-CD2 3.68Å; Y23-F169 HydrophobicContact CD1-CD2 3.68Å; Y23-F169 AromaticContact CD1-CE1 3.96Å; Y23-F169 HydrophobicContact CD1-CE1 3.96Å; Y23-F169 AromaticContact CD1-CE2 3.68Å; Y23-F169 HydrophobicContact CD1-CE2 3.68Å; Y23-F169 AromaticContact CD1-CG 3.83Å; Y23-F169 HydrophobicContact CD1-CG 3.83Å; Y23-F169 AromaticContact CD1-CZ 3.79Å; Y23-F169 HydrophobicContact CD1-CZ 3.79Å; Y23-F169 HydrophobicContact CD2-CB 4.48Å; Y23-F169 AromaticContact CD2-CD2 3.29Å; Y23-F169 HydrophobicContact CD2-CD2 3.29Å; Y23-F169 AromaticContact CD2-CE2 3.66Å; Y23-F169 HydrophobicContact CD2-CE2 3.66Å; Y23-F169 AromaticContact CD2-CG 4Å; Y23-F169 HydrophobicContact CD2-CG 4Å; Y23-F169 HydrophobicContact CE1-CB 4.05Å; Y23-F169 AromaticContact CE1-CD1 3.91Å; Y23-F169 HydrophobicContact CE1-CD1 3.91Å; Y23-F169 AromaticContact CE1-CD2 3.92Å; Y23-F169 HydrophobicContact CE1-CD2 3.92Å; Y23-F169 HydrophobicContact CE1-CE1 4.33Å; Y23-F169 HydrophobicContact CE1-CE2 4.36Å; Y23-F169 AromaticContact CE1-CG 3.66Å; Y23-F169 HydrophobicContact CE1-CG 3.66Å; Y23-F169 HydrophobicContact CE2-CB 3.86Å; Y23-F169 AromaticContact CE2-CD2 3.56Å; Y23-F169 HydrophobicContact CE2-CD2 3.56Å; Y23-F169 HydrophobicContact CE2-CE2 4.35Å; Y23-F169 AromaticContact CE2-CG 3.85Å; Y23-F169 HydrophobicContact CE2-CG 3.85Å; Y23-F169 HydrophobicContact CG-CD1 4.48Å; Y23-F169 AromaticContact CG-CD2 3.34Å; Y23-F169 HydrophobicContact CG-CD2 3.34Å; Y23-F169 HydrophobicContact CG-CE1 4.39Å; Y23-F169 AromaticContact CG-CE2 3.26Å; Y23-F169 HydrophobicContact CG-CE2 3.26Å; Y23-F169 AromaticContact CG-CG 3.98Å; Y23-F169 HydrophobicContact CG-CG 3.98Å; Y23-F169 AromaticContact CG-CZ 3.8Å; Y23-F169 HydrophobicContact CG-CZ 3.8Å; Y23-F169 AromaticContact CZ-CD2 3.87Å; Y23-F169 AromaticContact CZ-CG 3.68Å; L53-F169 HydrophobicContact CD2-CB 4.33Å; L53-F169 HydrophobicContact CD2-CD1 4.06Å; L55-F169 HydrophobicContact CD1-CE1 4.32Å; L55-F169 HydrophobicContact CD2-CD1 3.86Å; L55-F169 HydrophobicContact CD2-CE1 3.58Å; L79-F169 HydrophobicContact CD1-CE1 4.17Å; L165-F169 HydrophobicContact CD1-CE2 3.98Å; L165-F169 VanDerWaalsContact O-CD2 3.27Å; L165-F169 WeakPolarHBondContact O-CD2 3.45Å; K166-F169 PolarHBondContact O-N 3.23Å; K166-F169 VanDerWaalsContact O-N 3.15Å; N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 PolarHBondContact O-N 3.05Å; F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 2.94Å; F169-A172 PolarHBondContact O-N 3.39Å; F169-I173 WeakPolarHBondContact O-CB 3.15Å; F169-I173 WeakPolarHBondContact O-CD1 3.14Å; F169-I173 WeakPolarHBondContact O-CG1 3.35Å; F169-I173 PolarHBondContact O-N 3.31Å
170	D	95.5	Very high	93.7	Very high	53 Å²	53	59.7 Å²	59.7	28%	0.283	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-46.9	172.9	-68.6	-17.2	0	0	0	110.8	K166 A172 I173 L174	K166-D170 IonicContact NZ-OD1 2.62Å; K166-D170 PolarHBondContact NZ-OD1 3.5Å; K166-D170 IonicContact NZ-OD2 2.87Å; K166-D170 PolarHBondContact NZ-OD2 2.89Å; K166-D170 PolarHBondContact O-N 2.86Å; D170-A172 VanDerWaalsContact C-N 3.34Å; D170-A172 PolarHBondContact O-N 3.06Å; D170-I173 PolarHBondContact O-N 3.22Å; D170-L174 WeakPolarHBondContact O-CG 3.34Å; D170-L174 PolarHBondContact O-N 3.32Å
171	E	97.6	Very high	92.4	Very high	36 Å²	36	64.2 Å²	64.2	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-32.9	178.2	-64.1	-71	168.3	0	0	112.2	L111 K153 V155 N167 F169 L174 A175	L111-E171 HydrophobicContact CD1-CB 3.72Å; K153-E171 HydrophobicContact CD-CG 4.06Å; K153-E171 WeakPolarHBondContact CD-OE2 3.38Å; K153-E171 IonicContact NZ-OE1 3.54Å; K153-E171 PolarHBondContact NZ-OE1 2.96Å; K153-E171 IonicContact NZ-OE2 3.43Å; K153-E171 PolarHBondContact NZ-OE2 3.45Å; V155-E171 HydrophobicContact CG1-CB 4.32Å; V155-E171 HydrophobicContact CG1-CG 4.03Å; N167-E171 WeakPolarHBondContact O-CB 3.28Å; N167-E171 WeakPolarHBondContact O-CG 3.37Å; N167-E171 PolarHBondContact O-N 3.21Å; F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 2.94Å; E171-L174 PolarHBondContact O-N 3.38Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 2.71Å
172	A	97.4	Very high	90.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.7	-42.9	177	0	0	0	0	0	111.2	V77 L79 L111 V168 F169 D170 A175 A176	V77-A172 HydrophobicContact CG1-CB 4.15Å; V77-A172 HydrophobicContact CG2-CB 4.37Å; L79-A172 HydrophobicContact CD2-CB 3.9Å; L111-A172 HydrophobicContact CD1-CB 4Å; V168-A172 WeakPolarHBondContact O-CB 3.47Å; V168-A172 PolarHBondContact O-N 3.45Å; V168-A172 VanDerWaalsContact O-N 3.12Å; F169-A172 PolarHBondContact O-N 3.39Å; D170-A172 VanDerWaalsContact C-N 3.34Å; D170-A172 PolarHBondContact O-N 3.06Å; A172-A175 PolarHBondContact O-N 2.64Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 3.34Å
173	I	95.6	Very high	88.5	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.046	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-48.4	174	-73.2	163.3	0	0	0	110.2	I4 V44 I46 L53 F169 D170 A175 A176 L177	I4-I173 HydrophobicContact CD1-CB 4.49Å; I4-I173 HydrophobicContact CD1-CG1 4.35Å; I4-I173 HydrophobicContact CD1-CG2 4Å; V44-I173 HydrophobicContact CB-CD1 4.42Å; V44-I173 HydrophobicContact CG1-CD1 4.4Å; V44-I173 HydrophobicContact CG2-CD1 3.88Å; I46-I173 HydrophobicContact CD1-CG2 3.22Å; I46-I173 HydrophobicContact CG1-CG2 4.11Å; L53-I173 HydrophobicContact CD1-CG1 4.25Å; L53-I173 HydrophobicContact CD2-CD1 4.2Å; L53-I173 HydrophobicContact CD2-CG1 4.33Å; F169-I173 WeakPolarHBondContact O-CB 3.15Å; F169-I173 WeakPolarHBondContact O-CD1 3.14Å; F169-I173 WeakPolarHBondContact O-CG1 3.35Å; F169-I173 PolarHBondContact O-N 3.31Å; D170-I173 PolarHBondContact O-N 3.22Å; I173-A175 VanDerWaalsContact C-N 3.34Å; I173-A175 PolarHBondContact O-N 3.05Å; I173-A176 PolarHBondContact O-N 3.32Å; I173-L177 HydrophobicContact CG2-CD1 4.02Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 2.93Å
174	L	94.9	Very high	86.1	Confident	84 Å²	84	73.1 Å²	73.1	44%	0.44	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-45.4	177.6	-71.3	171.9	0	0	0	111.3	D170 E171 A176 L177 E178	D170-L174 WeakPolarHBondContact O-CG 3.34Å; D170-L174 PolarHBondContact O-N 3.32Å; E171-L174 PolarHBondContact O-N 3.38Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 3.33Å; L174-L177 PolarHBondContact O-N 3.48Å; L174-E178 PolarHBondContact O-N 3.46Å
175	A	95.8	Very high	83.8	Confident	3 Å²	3	81.5 Å²	81.5	3%	0.025	40%	0.399	C	S	.	.	H	α-helix	trans	-62.5	-32.3	177.6	0	0	0	0	0	113.2	V77 P109 L111 V152 E171 A172 I173 P179	V77-A175 HydrophobicContact CG2-CB 4.18Å; P109-A175 WeakPolarHBondContact CG-O 3.43Å; L111-A175 HydrophobicContact CD2-CB 4.34Å; V152-A175 HydrophobicContact CB-CB 4.28Å; V152-A175 HydrophobicContact CG1-CB 4Å; V152-A175 HydrophobicContact CG2-CB 4.27Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 2.71Å; A172-A175 PolarHBondContact O-N 2.64Å; I173-A175 VanDerWaalsContact C-N 3.34Å; I173-A175 PolarHBondContact O-N 3.05Å; A175-P179 WeakPolarHBondContact O-CA 3.36Å
176	A	95	Very high	81.5	Confident	21 Å²	21	92.7 Å²	92.7	17%	0.174	44%	0.441	C	S	.	.	H	α-helix	trans	-73.7	-39.3	176.4	0	0	0	0	0	112.7	I4 D76 V77 A172 I173 L174	I4-A176 HydrophobicContact CG2-CB 3.63Å; D76-A176 HydrophobicContact CB-CB 4.02Å; V77-A176 HydrophobicContact CB-CB 4.13Å; V77-A176 HydrophobicContact CG1-CB 4.13Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 3.34Å; I173-A176 PolarHBondContact O-N 3.32Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 3.33Å
177	L	91.7	Very high	79.2	Confident	63 Å²	63	95.9 Å²	95.9	33%	0.33	46%	0.455	S	S	.	.	H	α-helix	trans	-81.1	-33.5	-178	-66.9	179.3	0	0	0	113.1	I4 I46 Y51 I173 L174 P179	I4-L177 HydrophobicContact CD1-CD1 4.43Å; I4-L177 HydrophobicContact CD1-CD2 4.05Å; I4-L177 HydrophobicContact CD1-CG 4.09Å; I46-L177 HydrophobicContact CD1-CD1 3.74Å; I46-L177 HydrophobicContact CG2-CD1 3.93Å; Y51-L177 HydrophobicContact CE1-CD2 3.86Å; I173-L177 HydrophobicContact CG2-CD1 4.02Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 2.93Å; L174-L177 PolarHBondContact O-N 3.48Å; L177-P179 VanDerWaalsContact C-CD 3.42Å; L177-P179 WeakPolarHBondContact O-CD 3.37Å
178	E	87.6	Confident	76.7	Confident	153 Å²	153	98.3 Å²	98.3	72%	0.715	48%	0.475	S	S	*	.	S	Bend	trans	-123.6	67.1	-179.5	-63.1	-177.5	-175.4	0	0	110.2	L174	L174-E178 PolarHBondContact O-N 3.46Å
179	P	75.9	Confident	74.4	Confident	75 Å²	75	103 Å²	103	49%	0.487	51%	0.507	S	S	.	.			trans	-63.6	136.6	-178.1	25.3	-32.7	0	0	0	110.2	P109 A175 L177 E181	P109-P179 HydrophobicContact CG-CB 4.45Å; A175-P179 WeakPolarHBondContact O-CA 3.36Å; L177-P179 VanDerWaalsContact C-CD 3.42Å; L177-P179 WeakPolarHBondContact O-CD 3.37Å; P179-E181 PolarHBondContact O-N 3.37Å
180	P	72.8	Confident	72.1	Confident	79 Å²	79	110.9 Å²	110.9	51%	0.513	55%	0.548	S	S	.	.			trans	-58.6	136.6	-179.2	19.5	-29.6	0	0	0	111.2	V152 T182	V152-P180 HydrophobicContact CG2-CG 3.9Å; P180-T182 PolarHBondContact O-N 3.46Å
181	E	68.4	Low	70	Confident	191 Å²	191	121.1 Å²	121.1	89%	0.893	59%	0.591	S	S	*	*			trans	-57.4	115.2	-178.6	-68.4	-167.1	165.5	0	0	110.9	P179 Q183	P179-E181 PolarHBondContact O-N 3.37Å; E181-Q183 PolarHBondContact O-N 3.03Å
182	T	58.8	Low	68.6	Low	109 Å²	109	125.4 Å²	125.4	67%	0.669	61%	0.612	S	S	*	*			trans	-64	112.7	170.1	44.7	0	0	0	0	108.7	P180 R184	P180-T182 PolarHBondContact O-N 3.46Å; T182-R184 PolarHBondContact O-N 2.99Å
183	Q	51.5	Low	67.1	Low	191 Å²	191	131.9 Å²	131.9	89%	0.893	64%	0.644	S	S	*	*			trans	-51.6	108.8	172.6	-70	-173.8	1.4	0	0	109.2	E181 K185	E181-Q183 PolarHBondContact O-N 3.03Å; Q183-K185 PolarHBondContact O-N 3.25Å
184	R	47.4	Very low	65.5	Low	234 Å²	234	138.8 Å²	138.8	88%	0.883	68%	0.677	S	S	*	*			trans	-56.8	114.2	171.9	-94	178.9	164.4	178.1	-3.2	107.5	T182 R186	T182-R184 PolarHBondContact O-N 2.99Å; R184-R186 PolarHBondContact O-N 2.94Å
185	K	50.1	Low	63.8	Low	205 Å²	205	142 Å²	142	89%	0.891	69%	0.691	S	S	*	*			trans	-53	112.2	165.8	-75.4	-173.8	177.6	-178.6	0	107	Q183 K187	Q183-K185 PolarHBondContact O-N 3.25Å; K185-K187 PolarHBondContact O-N 3.22Å; K185-K187 VanDerWaalsContact O-N 3.09Å
186	R	47.4	Very low	61.8	Low	242 Å²	242	150.7 Å²	150.7	91%	0.913	73%	0.733	S	S	*	*			trans	-55.7	118.7	169.9	-75.1	-177.7	170.1	-174.2	-3.1	106.3	R184 C188	R184-R186 PolarHBondContact O-N 2.94Å; R186-C188 PolarHBondContact O-N 3.26Å
187	K	47.4	Very low	59.5	Low	196 Å²	196	159.3 Å²	159.3	85%	0.852	77%	0.77	S	S	*	*			trans	-58.9	110.3	167.3	-77.6	-175.5	175.1	-176.9	0	106	K185 C189	K185-K187 PolarHBondContact O-N 3.22Å; K185-K187 VanDerWaalsContact O-N 3.09Å; K187-C189 PolarHBondContact O-N 2.98Å
188	C	44.8	Very low	57.2	Low	120 Å²	120	166.2 Å²	166.2	81%	0.811	80%	0.802	S	S	*	*			trans	-63.7	103.3	163.9	-111.2	0	0	0	0	106.4	R186 L190	R186-C188 PolarHBondContact O-N 3.26Å; C188-L190 PolarHBondContact O-N 2.8Å; C188-L190 VanDerWaalsContact O-N 3.15Å
189	C	49.7	Very low	54.9	Low	98 Å²	98	167.2 Å²	167.2	66%	0.662	81%	0.809	S	S	*	*			trans	-69.8	101.9	160.1	-64.5	0	0	0	0	106.2	K187 F191	K187-C189 PolarHBondContact O-N 2.98Å; C189-F191 HydrophobicContact CB-CE2 4.2Å; C189-F191 PolarHBondContact O-N 2.88Å
190	L	48.8	Very low	53.2	Low	166 Å²	166	174.9 Å²	174.9	87%	0.869	84%	0.835	S	S	*	*			trans	-71.4	114	160.6	-71.6	163.5	0	0	0	105.8	C188	C188-L190 PolarHBondContact O-N 2.8Å; C188-L190 VanDerWaalsContact O-N 3.15Å
191	F	50.9	Low	51.4	Low	268 Å²	268	183.6 Å²	183.6	100%	1.175	87%	0.865	S	S	*	*			trans	-83.8	0	164.8	-75.1	-84.5	0	0	0	109.2	C189	C189-F191 HydrophobicContact CB-CE2 4.2Å; C189-F191 PolarHBondContact O-N 2.88Å

Retrieved 191 of 191 residues in 105.9 ms (Link to these results)

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