A0A096NGN6_PAPAN Loading...

Glyceraldehyde-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A096NGN6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 335 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	54.5	Low	91.5	Very high	230 Å²	230	48.5 Å²	48.5	100%	1.133	27%	0.27	S	S	*	.				0	142.6	0	-78.8	162	169.5	0	0	108.1
2	G	75.4	Confident	92.1	Very high	78 Å²	78	46.9 Å²	46.9	80%	0.804	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-67.1	166.5	176.6	0	0	0	0	0	111.8
3	K	89.3	Confident	92.6	Very high	105 Å²	105	47.8 Å²	47.8	46%	0.457	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-65.5	146.9	173.3	-61.2	171.5	-173	-171.1	0	109.9	G26 D29	K3-G26 WeakPolarHBondContact CD-O 3.32Å; K3-G26 WeakPolarHBondContact CE-O 3.22Å; K3-G26 PolarHBondContact NZ-O 2.83Å; K3-D29 WeakPolarHBondContact CB-OD2 3.39Å; K3-D29 WeakPolarHBondContact CD-OD1 3.48Å; K3-D29 IonicContact NZ-OD1 2.85Å
4	V	95.8	Very high	93	Very high	12 Å²	12	46.8 Å²	46.8	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.5	176.1	65.3	0	0	0	0	110.1	V6 V28 D29 E93 Y94 A332	V4-V6 HydrophobicContact CG1-CG2 4.2Å; V4-V28 HydrophobicContact CG1-CB 3.99Å; V4-V28 HydrophobicContact CG1-CG1 3.57Å; V4-D29 PolarHBondContact O-N 2.97Å; V4-E93 HydrophobicContact CG2-CB 4.49Å; V4-Y94 HydrophobicContact CG1-CD2 4.47Å; V4-Y94 HydrophobicContact CG2-CD1 3.64Å; V4-Y94 HydrophobicContact CG2-CD2 3.86Å; V4-Y94 HydrophobicContact CG2-CE1 3.85Å; V4-Y94 HydrophobicContact CG2-CE2 4.05Å; V4-Y94 HydrophobicContact CG2-CG 3.65Å; V4-A332 HydrophobicContact CB-CB 3.86Å; V4-A332 HydrophobicContact CG1-CB 3.96Å; V4-A332 HydrophobicContact CG2-CB 4.41Å
5	K	98.5	Very high	93.4	Very high	100 Å²	100	43.7 Å²	43.7	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.7	178.3	-68.5	-179.2	178.7	-179	0	110.2	D29 V31 G91 E93 Y94	K5-D29 CarbonylContact C-O 3.55Å; K5-D29 WeakPolarHBondContact CA-O 3.17Å; K5-V31 HydrophobicContact CB-CG1 4Å; K5-V31 HydrophobicContact CB-CG2 3.96Å; K5-V31 HydrophobicContact CD-CG1 4.16Å; K5-V31 HydrophobicContact CG-CG1 3.92Å; K5-G91 WeakPolarHBondContact CB-O 3.35Å; K5-G91 WeakPolarHBondContact CD-O 3.45Å; K5-E93 PolarHBondContact O-N 3.12Å; K5-Y94 PolarHBondContact O-N 2.85Å; K5-Y94 VanDerWaalsContact O-N 3.1Å
6	V	98.9	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134	-167.9	179.6	0	0	0	0	111.2	V4 V28 D29 I30 V31 Y94 V96 M328	V4-V6 HydrophobicContact CG1-CG2 4.2Å; V6-V28 HydrophobicContact CG2-CB 3.83Å; V6-V28 HydrophobicContact CG2-CG1 4.41Å; V6-V28 HydrophobicContact CG2-CG2 4.07Å; V6-D29 PolarHBondContact N-O 3.28Å; V6-I30 HydrophobicContact CB-CD1 3.87Å; V6-I30 HydrophobicContact CG1-CD1 3.86Å; V6-I30 WeakPolarHBondContact O-CA 3.28Å; V6-V31 PolarHBondContact O-N 3.47Å; V6-Y94 CarbonylContact C-O 3.58Å; V6-Y94 VanDerWaalsContact CA-O 3.28Å; V6-Y94 WeakPolarHBondContact CA-O 3.21Å; V6-V96 HydrophobicContact CG1-CG2 3.96Å; V6-M328 HydrophobicContact CB-SD 4.34Å; V6-M328 HydrophobicContact CG1-CE 4.14Å; V6-M328 HydrophobicContact CG1-SD 3.61Å; V6-M328 HydrophobicContact CG2-CE 4.25Å; V6-M328 HydrophobicContact CG2-SD 3.7Å
7	G	98.9	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.8	163.7	0	0	0	0	0	111.4	A32 Y94 V95 V96	G7-A32 CarbonylContact C-O 3.56Å; G7-A32 VanDerWaalsContact CA-O 3.25Å; G7-A32 WeakPolarHBondContact CA-O 3.46Å; G7-Y94 PolarHBondContact N-O 2.85Å; G7-V95 CarbonylContact O-C 3.59Å; G7-V95 WeakPolarHBondContact O-CA 3.13Å; G7-V96 PolarHBondContact O-N 3.34Å
8	V	98.9	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.4	173.8	-179.9	0	0	0	0	109.6	I30 A32 I33 N34 V96	V8-I30 HydrophobicContact CG2-CD1 4.17Å; V8-I30 HydrophobicContact CG2-CG2 4.46Å; V8-A32 PolarHBondContact N-O 3.16Å; V8-I33 HydrophobicContact CB-CG1 4.31Å; V8-I33 CarbonylContact O-C 3.46Å; V8-I33 WeakPolarHBondContact O-CA 3.35Å; V8-N34 PolarHBondContact O-N 2.77Å; V8-V96 HydrophobicContact CG2-CB 4.49Å
9	N	98.9	Very high	94.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.6	171.9	-167.4	34.2	0	0	0	110.3	N34 W87 V95 V96 E97 S98 T99 H111	N9-N34 PolarHBondContact OD1-ND2 3.35Å; N9-W87 HydrophobicContact CB-CZ2 4.19Å; N9-V95 HydrophobicContact CB-CG1 4.36Å; N9-V96 PolarHBondContact N-O 2.96Å; N9-E97 PolarHBondContact ND2-OE2 3.38Å; N9-S98 CarbonylContact O-C 3.56Å; N9-S98 WeakPolarHBondContact O-CA 3.47Å; N9-S98 PolarHBondContact O-N 3Å; N9-S98 PolarHBondContact O-OG 3.41Å; N9-T99 HydrophobicContact CB-CG2 4.36Å; N9-T99 WeakPolarHBondContact ND2-CG2 3.11Å; N9-T99 PolarHBondContact O-N 3.24Å; N9-H111 PolarHBondContact ND2-CE1 3.11Å; N9-H111 PolarHBondContact ND2-NE2 3.15Å
10	G	98.7	Very high	94.8	Very high	5 Å²	5	34.4 Å²	34.4	5%	0.052	19%	0.189	C	C	.	.			trans	83.8	102	-172.6	0	0	0	0	0	112.1	G12 N34 S98	G10-G12 PolarHBondContact O-N 3.38Å; G10-G12 VanDerWaalsContact O-N 3.16Å; G10-N34 PolarHBondContact N-O 3.08Å; G10-S98 PolarHBondContact O-OG 2.86Å
11	F	98.8	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.			trans	-93.4	43.4	-176.8	-157.2	-126.3	0	0	0	112.1	R16 T19 I33 D35 I38 M43 F47 L67	F11-R16 HydrophobicContact CD1-CG 3.76Å; F11-R16 HydrophobicContact CD2-CG 3.86Å; F11-R16 HydrophobicContact CE1-CG 3.69Å; F11-R16 HydrophobicContact CE2-CB 4.37Å; F11-R16 HydrophobicContact CE2-CG 3.77Å; F11-R16 HydrophobicContact CG-CG 3.86Å; F11-R16 HydrophobicContact CZ-CB 4.48Å; F11-R16 HydrophobicContact CZ-CG 3.7Å; F11-R16 WeakPolarHBondContact O-CG 3.36Å; F11-R16 PolarHBondContact O-NH1 3Å; F11-T19 HydrophobicContact CE2-CG2 4.49Å; F11-I33 HydrophobicContact CB-CG2 3.85Å; F11-I33 HydrophobicContact CD1-CG2 4.49Å; F11-I33 HydrophobicContact CD2-CD1 4.01Å; F11-I33 HydrophobicContact CD2-CG1 4.38Å; F11-I33 HydrophobicContact CD2-CG2 3.72Å; F11-I33 HydrophobicContact CE2-CD1 3.54Å; F11-I33 HydrophobicContact CE2-CG1 4.32Å; F11-I33 HydrophobicContact CE2-CG2 4.36Å; F11-I33 HydrophobicContact CG-CG2 3.8Å; F11-I33 HydrophobicContact CZ-CD1 3.86Å; F11-D35 HydrophobicContact CB-CB 4.04Å; F11-D35 PolarHBondContact N-OD2 2.89Å; F11-I38 HydrophobicContact CB-CD1 4.21Å; F11-M43 HydrophobicContact CD1-CB 4.26Å; F11-M43 HydrophobicContact CD1-CG 3.96Å; F11-M43 HydrophobicContact CD1-SD 4.34Å; F11-M43 HydrophobicContact CE1-CB 4.1Å; F11-M43 HydrophobicContact CE1-CG 4.28Å; F11-F47 HydrophobicContact CE1-CB 4.21Å; F11-F47 HydrophobicContact CE1-CD2 4.42Å; F11-F47 HydrophobicContact CE2-CD2 4.5Å; F11-F47 HydrophobicContact CZ-CB 4.25Å; F11-F47 AromaticContact CZ-CD2 3.69Å; F11-F47 HydrophobicContact CZ-CD2 3.69Å; F11-F47 HydrophobicContact CZ-CE2 4.46Å; F11-F47 HydrophobicContact CZ-CG 4.27Å; F11-L67 HydrophobicContact CZ-CD2 4.47Å
12	G	98.4	Very high	97	Very high	29 Å²	29	21.9 Å²	21.9	30%	0.299	13%	0.127	S	C	.	.	S	Bend	trans	-80.2	-155.4	176	0	0	0	0	0	113.3	G10 I14 R16	G10-G12 PolarHBondContact O-N 3.38Å; G10-G12 VanDerWaalsContact O-N 3.16Å; G12-I14 PolarHBondContact O-N 2.76Å; G12-R16 VanDerWaalsContact C-NH1 3.34Å; G12-R16 WeakPolarHBondContact O-CB 3.31Å; G12-R16 VanDerWaalsContact O-CG 3.32Å; G12-R16 WeakPolarHBondContact O-CG 3.31Å; G12-R16 PolarHBondContact O-N 3.36Å; G12-R16 PolarHBondContact O-NH1 2.81Å
13	R	98.7	Very high	98.1	Very high	59 Å²	59	20.3 Å²	20.3	22%	0.223	10%	0.098	C	C	.	.	H	α-helix	trans	-53.2	-57	178.6	-63.3	-59.1	-59.6	154.5	10.3	111.6	L17 D50 T52 H53 E317	R13-L17 WeakPolarHBondContact O-CB 3.49Å; R13-L17 WeakPolarHBondContact O-CD1 3.49Å; R13-L17 VanDerWaalsContact O-CG 3.24Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 2.96Å; R13-L17 VanDerWaalsContact O-N 3.15Å; R13-D50 IonicContact CZ-OD1 3.16Å; R13-D50 IonicContact CZ-OD2 3.67Å; R13-D50 IonicContact NH1-OD1 3.82Å; R13-D50 PolarHBondContact NH1-OD1 3.17Å; R13-D50 IonicContact NH1-OD2 2.74Å; R13-D50 PolarHBondContact NH1-OD2 3.29Å; R13-D50 IonicContact NH2-OD1 3.28Å; R13-D50 PolarHBondContact NH2-OD1 3.41Å; R13-D50 IonicContact NH2-OD2 3.71Å; R13-D50 PolarHBondContact NH2-OD2 3.38Å; R13-T52 PolarHBondContact NH2-OG1 3.03Å; R13-H53 PolarHBondContact NH2-CD2 2.83Å; R13-E317 WeakPolarHBondContact CB-OE1 3.39Å; R13-E317 WeakPolarHBondContact CD-OE1 3.36Å; R13-E317 VanDerWaalsContact CG-OE1 3.23Å; R13-E317 WeakPolarHBondContact CG-OE1 3.24Å; R13-E317 IonicContact CZ-OE1 3.53Å; R13-E317 IonicContact CZ-OE2 3.95Å; R13-E317 VanDerWaalsContact CZ-OE2 3.28Å; R13-E317 VanDerWaalsContact NE-CD 3.31Å; R13-E317 IonicContact NE-OE1 3.05Å; R13-E317 PolarHBondContact NE-OE1 3.43Å; R13-E317 IonicContact NE-OE2 3.18Å; R13-E317 PolarHBondContact NE-OE2 3.33Å; R13-E317 VanDerWaalsContact NE-OE2 3.16Å; R13-E317 IonicContact NH2-OE1 2.72Å; R13-E317 IonicContact NH2-OE2 3.1Å; R13-E317 PolarHBondContact NH2-OE2 2.87Å
14	I	98.8	Very high	98.3	Very high	33 Å²	33	20.8 Å²	20.8	17%	0.169	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-48	-178.6	-58.1	-53.4	0	0	0	111.5	G12 R16 L17 V18 Y320	G12-I14 PolarHBondContact O-N 2.76Å; I14-R16 VanDerWaalsContact C-N 3.32Å; I14-R16 PolarHBondContact O-N 3.16Å; I14-L17 PolarHBondContact O-N 3.28Å; I14-L17 VanDerWaalsContact O-N 3.11Å; I14-V18 HydrophobicContact CG2-CG2 3.82Å; I14-V18 WeakPolarHBondContact O-CB 3.47Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.47Å; I14-V18 PolarHBondContact O-N 2.93Å; I14-Y320 HydrophobicContact CD1-CD1 4.07Å; I14-Y320 HydrophobicContact CG2-CD1 4.32Å; I14-Y320 HydrophobicContact CG2-CE1 4.33Å
15	G	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.7	-42.4	-179.4	0	0	0	0	0	113.7	T19	G15-T19 WeakPolarHBondContact O-CB 2.86Å; G15-T19 PolarHBondContact O-N 3.21Å; G15-T19 VanDerWaalsContact O-N 3.14Å; G15-T19 PolarHBondContact O-OG1 2.87Å
16	R	98.9	Very high	98.1	Very high	18 Å²	18	19 Å²	19	7%	0.068	11%	0.11	C	C	.	.	H	α-helix	trans	-67.5	-41.1	175.4	-68.2	-165.8	-54.6	-85.9	3.9	112.5	F11 G12 I14 T19 R20 M46 F47	F11-R16 HydrophobicContact CD1-CG 3.76Å; F11-R16 HydrophobicContact CD2-CG 3.86Å; F11-R16 HydrophobicContact CE1-CG 3.69Å; F11-R16 HydrophobicContact CE2-CB 4.37Å; F11-R16 HydrophobicContact CE2-CG 3.77Å; F11-R16 HydrophobicContact CG-CG 3.86Å; F11-R16 HydrophobicContact CZ-CB 4.48Å; F11-R16 HydrophobicContact CZ-CG 3.7Å; F11-R16 WeakPolarHBondContact O-CG 3.36Å; F11-R16 PolarHBondContact O-NH1 3Å; G12-R16 VanDerWaalsContact C-NH1 3.34Å; G12-R16 WeakPolarHBondContact O-CB 3.31Å; G12-R16 VanDerWaalsContact O-CG 3.32Å; G12-R16 WeakPolarHBondContact O-CG 3.31Å; G12-R16 PolarHBondContact O-N 3.36Å; G12-R16 PolarHBondContact O-NH1 2.81Å; I14-R16 VanDerWaalsContact C-N 3.32Å; I14-R16 PolarHBondContact O-N 3.16Å; R16-T19 WeakPolarHBondContact O-CB 3.19Å; R16-T19 PolarHBondContact O-N 2.96Å; R16-R20 PolarHBondContact O-N 3.48Å; R16-M46 WeakPolarHBondContact CD-O 3.29Å; R16-M46 PolarHBondContact NE-O 3.45Å; R16-F47 HydrophobicContact CB-CD2 4.35Å
17	L	98.9	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-78.1	-31.2	-176.8	-65.5	172.4	0	0	0	113.1	R13 I14 T19 R20 A21 H53 E317 F318 S321	R13-L17 WeakPolarHBondContact O-CB 3.49Å; R13-L17 WeakPolarHBondContact O-CD1 3.49Å; R13-L17 VanDerWaalsContact O-CG 3.24Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 2.96Å; R13-L17 VanDerWaalsContact O-N 3.15Å; I14-L17 PolarHBondContact O-N 3.28Å; I14-L17 VanDerWaalsContact O-N 3.11Å; L17-T19 VanDerWaalsContact C-N 3.27Å; L17-T19 PolarHBondContact O-N 3.21Å; L17-R20 PolarHBondContact O-N 3.45Å; L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.44Å; L17-A21 PolarHBondContact O-N 2.95Å; L17-H53 WeakPolarHBondContact CD1-NE2 3.36Å; L17-H53 HydrophobicContact CD2-CB 4.37Å; L17-H53 VanDerWaalsContact CD2-CD2 3.48Å; L17-H53 WeakPolarHBondContact CD2-CD2 3.47Å; L17-E317 HydrophobicContact CD1-CB 3.5Å; L17-E317 HydrophobicContact CD1-CG 4.46Å; L17-F318 HydrophobicContact CD2-CD2 4.14Å; L17-F318 HydrophobicContact CD2-CE2 4.3Å; L17-S321 WeakPolarHBondContact CB-OG 3.35Å
18	V	98.9	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-42.3	165.8	169.5	0	0	0	0	109.9	I14 A21 A22 V96 V324 V325 M328	I14-V18 HydrophobicContact CG2-CG2 3.82Å; I14-V18 WeakPolarHBondContact O-CB 3.47Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.47Å; I14-V18 PolarHBondContact O-N 2.93Å; V18-A21 PolarHBondContact O-N 2.9Å; V18-A22 WeakPolarHBondContact O-CB 3.47Å; V18-A22 PolarHBondContact O-N 3.1Å; V18-V96 HydrophobicContact CG1-CG2 4.18Å; V18-V324 HydrophobicContact CG1-CG1 4.27Å; V18-V324 HydrophobicContact CG2-CB 3.96Å; V18-V324 HydrophobicContact CG2-CG1 4.07Å; V18-V324 HydrophobicContact CG2-CG2 4.32Å; V18-V325 HydrophobicContact CG1-CG2 4.13Å; V18-M328 HydrophobicContact CG1-CE 4.27Å
19	T	98.9	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-47.7	174.4	-58.1	0	0	0	0	111.1	F11 G15 R16 L17 A21 A22 F23 I30 F47 I69	F11-T19 HydrophobicContact CE2-CG2 4.49Å; G15-T19 WeakPolarHBondContact O-CB 2.86Å; G15-T19 PolarHBondContact O-N 3.21Å; G15-T19 VanDerWaalsContact O-N 3.14Å; G15-T19 PolarHBondContact O-OG1 2.87Å; R16-T19 WeakPolarHBondContact O-CB 3.19Å; R16-T19 PolarHBondContact O-N 2.96Å; L17-T19 VanDerWaalsContact C-N 3.27Å; L17-T19 PolarHBondContact O-N 3.21Å; T19-A21 PolarHBondContact O-N 3.29Å; T19-A22 PolarHBondContact O-N 3.48Å; T19-F23 HydrophobicContact CG2-CD2 4.01Å; T19-F23 HydrophobicContact CG2-CE2 3.98Å; T19-F23 WeakPolarHBondContact O-CD2 3.15Å; T19-F23 PolarHBondContact O-N 2.92Å; T19-F23 VanDerWaalsContact O-N 3.1Å; T19-I30 HydrophobicContact CG2-CG1 4.17Å; T19-F47 HydrophobicContact CG2-CE2 3.67Å; T19-F47 HydrophobicContact CG2-CZ 3.98Å; T19-I69 HydrophobicContact CG2-CD1 3.94Å
20	R	98.6	Very high	97.8	Very high	14 Å²	14	27.1 Å²	27.1	5%	0.053	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-45.9	174.5	-70.4	-166.7	-179.3	-170.7	-2.1	112.1	R16 L17 A22 F23 N24 F47 H53 G54 F56	R16-R20 PolarHBondContact O-N 3.48Å; L17-R20 PolarHBondContact O-N 3.45Å; R20-A22 VanDerWaalsContact C-N 3.34Å; R20-A22 PolarHBondContact O-N 2.89Å; R20-F23 PolarHBondContact O-N 3.08Å; R20-N24 WeakPolarHBondContact O-CB 3.18Å; R20-N24 VanDerWaalsContact O-CG 3.26Å; R20-N24 PolarHBondContact O-N 2.89Å; R20-F47 HydrophobicContact CG-CE2 3.57Å; R20-F47 HydrophobicContact CG-CZ 3.68Å; R20-F47 PolarHBondContact NH2-O 2.9Å; R20-H53 PolarHBondContact NH1-O 3.34Å; R20-G54 PolarHBondContact NH1-O 3.5Å; R20-G54 PolarHBondContact NH2-O 3.28Å; R20-G54 VanDerWaalsContact NH2-O 3.13Å; R20-F56 HydrophobicContact CG-CD2 4.19Å; R20-F56 HydrophobicContact CG-CE2 4.47Å
21	A	98.4	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-37.6	179.1	0	0	0	0	0	112.4	L17 V18 T19 N24 S25 V325	L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.44Å; L17-A21 PolarHBondContact O-N 2.95Å; V18-A21 PolarHBondContact O-N 2.9Å; T19-A21 PolarHBondContact O-N 3.29Å; A21-N24 PolarHBondContact O-N 3.06Å; A21-S25 VanDerWaalsContact O-CB 3.29Å; A21-S25 WeakPolarHBondContact O-CB 3.49Å; A21-S25 PolarHBondContact O-N 3.13Å; A21-S25 PolarHBondContact O-OG 3.25Å; A21-V325 HydrophobicContact CB-CG2 3.87Å
22	A	98.4	Very high	97.8	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-47.5	174.1	0	0	0	0	0	111.5	V18 T19 R20 N24 G26 V28 I30 V325	V18-A22 WeakPolarHBondContact O-CB 3.47Å; V18-A22 PolarHBondContact O-N 3.1Å; T19-A22 PolarHBondContact O-N 3.48Å; R20-A22 VanDerWaalsContact C-N 3.34Å; R20-A22 PolarHBondContact O-N 2.89Å; A22-N24 PolarHBondContact O-N 3.34Å; A22-G26 WeakPolarHBondContact O-CA 3.48Å; A22-G26 PolarHBondContact O-N 2.93Å; A22-V28 HydrophobicContact CB-CG2 3.55Å; A22-I30 HydrophobicContact CB-CD1 3.84Å; A22-I30 HydrophobicContact CB-CG1 3.76Å; A22-V325 HydrophobicContact CB-CG2 4.43Å
23	F	97.6	Very high	97.8	Very high	46 Å²	46	26.7 Å²	26.7	20%	0.202	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-34.9	177.6	-85	-81.9	0	0	0	113.5	T19 R20 I30 I69 N70 I74	T19-F23 HydrophobicContact CG2-CD2 4.01Å; T19-F23 HydrophobicContact CG2-CE2 3.98Å; T19-F23 WeakPolarHBondContact O-CD2 3.15Å; T19-F23 PolarHBondContact O-N 2.92Å; T19-F23 VanDerWaalsContact O-N 3.1Å; R20-F23 PolarHBondContact O-N 3.08Å; F23-I30 HydrophobicContact CE2-CB 4.4Å; F23-I30 HydrophobicContact CE2-CG1 4.5Å; F23-I69 HydrophobicContact CD1-CG2 3.91Å; F23-I69 HydrophobicContact CD2-CG2 3.87Å; F23-I69 HydrophobicContact CE1-CB 3.95Å; F23-I69 HydrophobicContact CE1-CG2 3.69Å; F23-I69 WeakPolarHBondContact CE1-O 3.4Å; F23-I69 HydrophobicContact CE2-CB 3.82Å; F23-I69 HydrophobicContact CE2-CD1 3.9Å; F23-I69 HydrophobicContact CE2-CG1 4.45Å; F23-I69 HydrophobicContact CE2-CG2 3.67Å; F23-I69 HydrophobicContact CG-CG2 4.01Å; F23-I69 HydrophobicContact CZ-CB 3.5Å; F23-I69 HydrophobicContact CZ-CD1 4.41Å; F23-I69 HydrophobicContact CZ-CG1 4.5Å; F23-I69 HydrophobicContact CZ-CG2 3.59Å; F23-N70 HydrophobicContact CD1-CB 4.27Å; F23-N70 HydrophobicContact CE1-CB 4.26Å; F23-I74 HydrophobicContact CE2-CD1 4.11Å; F23-I74 HydrophobicContact CZ-CD1 4.14Å
24	N	94.7	Very high	97.8	Very high	115 Å²	115	23.9 Å²	23.9	62%	0.615	13%	0.129	S	C	*	.	H	α-helix	trans	-74.6	-40.9	179.1	-71	-7.4	0	0	0	112.6	R20 A21 A22	R20-N24 WeakPolarHBondContact O-CB 3.18Å; R20-N24 VanDerWaalsContact O-CG 3.26Å; R20-N24 PolarHBondContact O-N 2.89Å; A21-N24 PolarHBondContact O-N 3.06Å; A22-N24 PolarHBondContact O-N 3.34Å
25	S	94.2	Very high	97.8	Very high	48 Å²	48	23 Å²	23	34%	0.336	13%	0.125	S	C	.	.	H	α-helix	trans	-85.4	-27.7	-176.1	66.5	0	0	0	0	113.1	A21 K27	A21-S25 VanDerWaalsContact O-CB 3.29Å; A21-S25 WeakPolarHBondContact O-CB 3.49Å; A21-S25 PolarHBondContact O-N 3.13Å; A21-S25 PolarHBondContact O-OG 3.25Å; S25-K27 PolarHBondContact O-N 3.03Å; S25-K27 PolarHBondContact OG-N 3.48Å
26	G	94.4	Very high	97.8	Very high	25 Å²	25	24.7 Å²	24.7	26%	0.258	14%	0.135	S	C	.	.			trans	63.5	16.1	-173.8	0	0	0	0	0	114.1	K3 A22	K3-G26 WeakPolarHBondContact CD-O 3.32Å; K3-G26 WeakPolarHBondContact CE-O 3.22Å; K3-G26 PolarHBondContact NZ-O 2.83Å; A22-G26 WeakPolarHBondContact O-CA 3.48Å; A22-G26 PolarHBondContact O-N 2.93Å
27	K	94.4	Very high	97.8	Very high	102 Å²	102	31 Å²	31	44%	0.443	16%	0.163	S	C	.	.	S	Bend	trans	-76.3	-28	-178.4	-67.5	-179.1	-175.7	-177.6	0	113.5	S25 V325 D326 A329	S25-K27 PolarHBondContact O-N 3.03Å; S25-K27 PolarHBondContact OG-N 3.48Å; K27-V325 HydrophobicContact CB-CG1 4.09Å; K27-V325 HydrophobicContact CD-CG1 4.46Å; K27-D326 IonicContact NZ-OD1 2.71Å; K27-D326 PolarHBondContact NZ-OD1 2.94Å; K27-A329 HydrophobicContact CB-CB 4.11Å; K27-A329 HydrophobicContact CD-CB 4.33Å
28	V	97.8	Very high	97.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.1	-178.3	-52.6	0	0	0	0	109.6	V4 V6 A22 V325 M328	V4-V28 HydrophobicContact CG1-CB 3.99Å; V4-V28 HydrophobicContact CG1-CG1 3.57Å; V6-V28 HydrophobicContact CG2-CB 3.83Å; V6-V28 HydrophobicContact CG2-CG1 4.41Å; V6-V28 HydrophobicContact CG2-CG2 4.07Å; A22-V28 HydrophobicContact CB-CG2 3.55Å; V28-V325 HydrophobicContact CG1-CG1 4.39Å; V28-V325 HydrophobicContact CG2-CG1 4.13Å; V28-M328 HydrophobicContact CG1-CB 4.07Å; V28-M328 HydrophobicContact CG1-CE 4.46Å; V28-M328 HydrophobicContact CG2-CE 4.06Å
29	D	98.3	Very high	97.7	Very high	64 Å²	64	35.2 Å²	35.2	34%	0.342	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.6	178.8	-68.6	-27	0	0	0	110.5	K3 V4 K5 V6 V31	K3-D29 WeakPolarHBondContact CB-OD2 3.39Å; K3-D29 WeakPolarHBondContact CD-OD1 3.48Å; K3-D29 IonicContact NZ-OD1 2.85Å; V4-D29 PolarHBondContact O-N 2.97Å; K5-D29 CarbonylContact C-O 3.55Å; K5-D29 WeakPolarHBondContact CA-O 3.17Å; V6-D29 PolarHBondContact N-O 3.28Å; D29-V31 PolarHBondContact O-N 3.23Å
30	I	98.8	Very high	97.7	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.2	173	-53.7	-54.2	0	0	0	108.6	V6 V8 T19 A22 F23 I33 I74	V6-I30 HydrophobicContact CB-CD1 3.87Å; V6-I30 HydrophobicContact CG1-CD1 3.86Å; V6-I30 WeakPolarHBondContact O-CA 3.28Å; V8-I30 HydrophobicContact CG2-CD1 4.17Å; V8-I30 HydrophobicContact CG2-CG2 4.46Å; T19-I30 HydrophobicContact CG2-CG1 4.17Å; A22-I30 HydrophobicContact CB-CD1 3.84Å; A22-I30 HydrophobicContact CB-CG1 3.76Å; F23-I30 HydrophobicContact CE2-CB 4.4Å; F23-I30 HydrophobicContact CE2-CG1 4.5Å; I30-I33 HydrophobicContact CG2-CD1 4.42Å; I30-I33 HydrophobicContact CG2-CG1 4.19Å; I30-I74 HydrophobicContact CB-CD1 4.39Å; I30-I74 HydrophobicContact CG2-CD1 4.09Å; I30-I74 HydrophobicContact CG2-CG2 4.21Å
31	V	98.8	Very high	97.7	Very high	24 Å²	24	41.8 Å²	41.8	15%	0.145	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-17.5	-177.8	-59.1	0	0	0	0	113.4	K5 V6 D29 T75 A90 A92	K5-V31 HydrophobicContact CB-CG1 4Å; K5-V31 HydrophobicContact CB-CG2 3.96Å; K5-V31 HydrophobicContact CD-CG1 4.16Å; K5-V31 HydrophobicContact CG-CG1 3.92Å; V6-V31 PolarHBondContact O-N 3.47Å; D29-V31 PolarHBondContact O-N 3.23Å; V31-T75 PolarHBondContact O-N 2.87Å; V31-A90 WeakPolarHBondContact CG2-O 3.34Å; V31-A92 HydrophobicContact CG2-CB 3.8Å
32	A	98.9	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.4	178.3	0	0	0	0	0	113.2	G7 V8 T75 F77 W87 A90 A92	G7-A32 CarbonylContact C-O 3.56Å; G7-A32 VanDerWaalsContact CA-O 3.25Å; G7-A32 WeakPolarHBondContact CA-O 3.46Å; V8-A32 PolarHBondContact N-O 3.16Å; A32-T75 CarbonylContact C-O 3.56Å; A32-T75 WeakPolarHBondContact CA-O 3.34Å; A32-F77 HydrophobicContact CB-CD2 4.47Å; A32-F77 HydrophobicContact CB-CE2 4.01Å; A32-W87 HydrophobicContact CB-CE3 3.77Å; A32-W87 HydrophobicContact CB-CZ3 3.59Å; A32-A90 HydrophobicContact CB-CB 3.76Å; A32-A92 HydrophobicContact CB-CB 4.33Å
33	I	98.9	Very high	97.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.5	173.8	-65	164.2	0	0	0	108.9	V8 F11 I30 M43 L67 I74 T75 I76 F77	V8-I33 HydrophobicContact CB-CG1 4.31Å; V8-I33 CarbonylContact O-C 3.46Å; V8-I33 WeakPolarHBondContact O-CA 3.35Å; F11-I33 HydrophobicContact CB-CG2 3.85Å; F11-I33 HydrophobicContact CD1-CG2 4.49Å; F11-I33 HydrophobicContact CD2-CD1 4.01Å; F11-I33 HydrophobicContact CD2-CG1 4.38Å; F11-I33 HydrophobicContact CD2-CG2 3.72Å; F11-I33 HydrophobicContact CE2-CD1 3.54Å; F11-I33 HydrophobicContact CE2-CG1 4.32Å; F11-I33 HydrophobicContact CE2-CG2 4.36Å; F11-I33 HydrophobicContact CG-CG2 3.8Å; F11-I33 HydrophobicContact CZ-CD1 3.86Å; I30-I33 HydrophobicContact CG2-CD1 4.42Å; I30-I33 HydrophobicContact CG2-CG1 4.19Å; I33-M43 HydrophobicContact CG2-CE 4Å; I33-M43 HydrophobicContact CG2-SD 4.14Å; I33-L67 HydrophobicContact CD1-CD2 3.91Å; I33-I74 HydrophobicContact CB-CG2 4.5Å; I33-I74 HydrophobicContact CD1-CD1 4.49Å; I33-I74 HydrophobicContact CD1-CG2 3.89Å; I33-I74 HydrophobicContact CG1-CG2 3.91Å; I33-T75 PolarHBondContact N-O 3.05Å; I33-I76 HydrophobicContact CB-CD1 3.84Å; I33-I76 HydrophobicContact CD1-CD1 4.4Å; I33-I76 CarbonylContact O-C 3.52Å; I33-I76 WeakPolarHBondContact O-CA 3.31Å; I33-F77 PolarHBondContact O-N 3.45Å
34	N	98.9	Very high	97.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126	171.2	-179	69.7	0	0	0	110.9	V8 N9 G10 F77 Q78 E79 I85 W87	V8-N34 PolarHBondContact O-N 2.77Å; N9-N34 PolarHBondContact OD1-ND2 3.35Å; G10-N34 PolarHBondContact N-O 3.08Å; N34-F77 WeakPolarHBondContact CA-O 3.5Å; N34-F77 HydrophobicContact CB-CB 3.99Å; N34-F77 VanDerWaalsContact OD1-CB 3.23Å; N34-F77 WeakPolarHBondContact OD1-CB 3.43Å; N34-F77 PolarHBondContact OD1-O 3.38Å; N34-Q78 PolarHBondContact OD1-N 2.93Å; N34-E79 PolarHBondContact ND2-O 3.47Å; N34-E79 PolarHBondContact OD1-N 3.31Å; N34-E79 PolarHBondContact OD1-O 2.78Å; N34-I85 HydrophobicContact CB-CD1 3.84Å; N34-I85 HydrophobicContact CB-CG1 4.36Å; N34-I85 HydrophobicContact CB-CG2 4.36Å; N34-I85 WeakPolarHBondContact ND2-CD1 3.43Å; N34-W87 HydrophobicContact CB-CH2 3.85Å; N34-W87 HydrophobicContact CB-CZ2 4.31Å
35	D	98.7	Very high	98	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.08	24%	0.237	C	C	.	.			trans	-153.7	115.5	163.8	-159.2	-53.7	0	0	0	111	F11 F37 I38 M43 F77	F11-D35 HydrophobicContact CB-CB 4.04Å; F11-D35 PolarHBondContact N-OD2 2.89Å; D35-F37 PolarHBondContact O-N 3.3Å; D35-F37 WeakPolarHBondContact OD1-CB 3.21Å; D35-F37 PolarHBondContact OD1-N 2.99Å; D35-I38 HydrophobicContact CB-CB 4.24Å; D35-I38 HydrophobicContact CB-CD1 4.26Å; D35-I38 HydrophobicContact CB-CG1 4.29Å; D35-M43 HydrophobicContact CB-CE 3.93Å; D35-F77 PolarHBondContact N-O 3.06Å; D35-F77 VanDerWaalsContact N-O 3.14Å
36	P	98.2	Very high	98.2	Very high	35 Å²	35	46.8 Å²	46.8	23%	0.227	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.7	-178.2	31.7	-36.6	0	0	0	113.9	Q78 R80	P36-Q78 WeakPolarHBondContact CB-O 3.21Å; P36-R80 HydrophobicContact CB-CG 3.58Å; P36-R80 HydrophobicContact CG-CG 3.77Å
37	F	98.4	Very high	98.4	Very high	149 Å²	149	45.7 Å²	45.7	65%	0.654	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	1.1	-177.7	-53.5	-67.8	0	0	0	113.3	D35	D35-F37 PolarHBondContact O-N 3.3Å; D35-F37 WeakPolarHBondContact OD1-CB 3.21Å; D35-F37 PolarHBondContact OD1-N 2.99Å
38	I	98.3	Very high	98.6	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.067	21%	0.206	C	C	.	.			trans	-134.8	112.3	-176.3	-48.5	174	0	0	0	107.9	F11 D35 Y42 M43 M46 Q78	F11-I38 HydrophobicContact CB-CD1 4.21Å; D35-I38 HydrophobicContact CB-CB 4.24Å; D35-I38 HydrophobicContact CB-CD1 4.26Å; D35-I38 HydrophobicContact CB-CG1 4.29Å; I38-Y42 HydrophobicContact CB-CD1 4.49Å; I38-Y42 HydrophobicContact CG2-CD1 3.83Å; I38-Y42 HydrophobicContact CG2-CG 3.95Å; I38-M43 HydrophobicContact CB-CE 4.41Å; I38-M43 HydrophobicContact CB-CG 4.14Å; I38-M43 HydrophobicContact CG2-CB 4.25Å; I38-M43 HydrophobicContact CG2-CG 3.47Å; I38-M43 VanDerWaalsContact CG2-CG 3.47Å; I38-M43 VanDerWaalsContact O-CE 3.31Å; I38-M43 WeakPolarHBondContact O-CE 3.38Å; I38-M46 HydrophobicContact CD1-SD 3.82Å; I38-M46 HydrophobicContact CG1-SD 4.23Å; I38-M46 HydrophobicContact CG2-SD 3.98Å; I38-Q78 PolarHBondContact O-NE2 3.37Å
39	D	98.4	Very high	98.7	Very high	77 Å²	77	48 Å²	48	41%	0.412	23%	0.227	S	C	.	.			trans	-75.9	167	172.6	69.6	77.8	0	0	0	112.2	N41 Y42 M43 Q78	D39-N41 VanDerWaalsContact C-N 3.35Å; D39-N41 PolarHBondContact O-N 2.86Å; D39-N41 PolarHBondContact OD1-N 3.01Å; D39-Y42 CarbonylContact O-C 3.51Å; D39-Y42 WeakPolarHBondContact O-CA 3.22Å; D39-Y42 PolarHBondContact O-N 3.07Å; D39-Y42 PolarHBondContact OD1-N 2.72Å; D39-M43 WeakPolarHBondContact O-CG 3.48Å; D39-M43 PolarHBondContact O-N 3.38Å; D39-Q78 VanDerWaalsContact CA-NE2 3.32Å
40	L	98.6	Very high	98.7	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-55.7	-43.5	-174.7	173.1	60.5	0	0	0	113.5	Y42 M43 V44 A62 L67 I76	L40-Y42 VanDerWaalsContact C-N 3.31Å; L40-M43 WeakPolarHBondContact O-CB 3.49Å; L40-M43 PolarHBondContact O-N 2.95Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.1Å; L40-V44 VanDerWaalsContact O-N 3.08Å; L40-A62 HydrophobicContact CD1-CB 4.23Å; L40-A62 HydrophobicContact CD2-CB 3.77Å; L40-A62 HydrophobicContact CG-CB 3.75Å; L40-L67 HydrophobicContact CD1-CB 3.79Å; L40-L67 HydrophobicContact CD1-CD1 4.14Å; L40-I76 HydrophobicContact CD1-CG1 3.92Å
41	N	98.6	Very high	98.7	Very high	118 Å²	118	51.4 Å²	51.4	63%	0.631	26%	0.255	S	S	*	.	H	α-helix	trans	-69.7	-36.8	179.8	-71.4	-36	0	0	0	110.4	D39 V44 Y45	D39-N41 VanDerWaalsContact C-N 3.35Å; D39-N41 PolarHBondContact O-N 2.86Å; D39-N41 PolarHBondContact OD1-N 3.01Å; N41-V44 WeakPolarHBondContact O-CB 3.1Å; N41-V44 PolarHBondContact O-N 2.92Å; N41-Y45 PolarHBondContact O-N 3.35Å; N41-Y45 VanDerWaalsContact O-N 3.16Å
42	Y	98.8	Very high	98.7	Very high	108 Å²	108	51.9 Å²	51.9	42%	0.424	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-35.4	174.5	-165.5	-161.1	0	0	0	112.3	I38 D39 L40 V44 Y45 M46	I38-Y42 HydrophobicContact CB-CD1 4.49Å; I38-Y42 HydrophobicContact CG2-CD1 3.83Å; I38-Y42 HydrophobicContact CG2-CG 3.95Å; D39-Y42 CarbonylContact O-C 3.51Å; D39-Y42 WeakPolarHBondContact O-CA 3.22Å; D39-Y42 PolarHBondContact O-N 3.07Å; D39-Y42 PolarHBondContact OD1-N 2.72Å; L40-Y42 VanDerWaalsContact C-N 3.31Å; Y42-V44 PolarHBondContact O-N 3.4Å; Y42-Y45 AromaticContact CD2-CD1 3.98Å; Y42-Y45 HydrophobicContact CD2-CD1 3.98Å; Y42-Y45 AromaticContact CE2-CD1 3.84Å; Y42-Y45 HydrophobicContact CE2-CD1 3.84Å; Y42-Y45 HydrophobicContact CE2-CE1 4.36Å; Y42-Y45 PolarHBondContact O-N 2.95Å; Y42-M46 HydrophobicContact CD1-SD 4.29Å; Y42-M46 HydrophobicContact CD2-CG 3.64Å; Y42-M46 HydrophobicContact CD2-SD 4.15Å; Y42-M46 HydrophobicContact CE1-SD 3.92Å; Y42-M46 HydrophobicContact CE2-CG 3.39Å; Y42-M46 HydrophobicContact CE2-SD 3.78Å; Y42-M46 HydrophobicContact CG-CG 4.34Å; Y42-M46 HydrophobicContact CG-SD 4.38Å; Y42-M46 WeakPolarHBondContact O-CB 3.49Å; Y42-M46 WeakPolarHBondContact O-CG 3.38Å; Y42-M46 PolarHBondContact O-N 2.78Å
43	M	98.8	Very high	98.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-43.2	172.3	-70.5	-171.3	-178.5	0	0	111.6	F11 I33 D35 I38 D39 L40 Y45 F47 I76	F11-M43 HydrophobicContact CD1-CB 4.26Å; F11-M43 HydrophobicContact CD1-CG 3.96Å; F11-M43 HydrophobicContact CD1-SD 4.34Å; F11-M43 HydrophobicContact CE1-CB 4.1Å; F11-M43 HydrophobicContact CE1-CG 4.28Å; I33-M43 HydrophobicContact CG2-CE 4Å; I33-M43 HydrophobicContact CG2-SD 4.14Å; D35-M43 HydrophobicContact CB-CE 3.93Å; I38-M43 HydrophobicContact CB-CE 4.41Å; I38-M43 HydrophobicContact CB-CG 4.14Å; I38-M43 HydrophobicContact CG2-CB 4.25Å; I38-M43 HydrophobicContact CG2-CG 3.47Å; I38-M43 VanDerWaalsContact CG2-CG 3.47Å; I38-M43 VanDerWaalsContact O-CE 3.31Å; I38-M43 WeakPolarHBondContact O-CE 3.38Å; D39-M43 WeakPolarHBondContact O-CG 3.48Å; D39-M43 PolarHBondContact O-N 3.38Å; L40-M43 WeakPolarHBondContact O-CB 3.49Å; L40-M43 PolarHBondContact O-N 2.95Å; M43-Y45 VanDerWaalsContact C-N 3.34Å; M43-Y45 PolarHBondContact O-N 2.95Å; M43-F47 WeakPolarHBondContact O-CB 3.39Å; M43-F47 PolarHBondContact O-N 3.27Å; M43-I76 HydrophobicContact CE-CG2 3.67Å; M43-I76 HydrophobicContact SD-CD1 3.63Å; M43-I76 HydrophobicContact SD-CG1 4.14Å; M43-I76 HydrophobicContact SD-CG2 3.82Å
44	V	98.9	Very high	98.6	Very high	28 Å²	28	54.6 Å²	54.6	17%	0.17	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-50.6	174.1	171.4	0	0	0	0	110.1	L40 N41 Y42 F47 Q48 V60 A62 L67	L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.1Å; L40-V44 VanDerWaalsContact O-N 3.08Å; N41-V44 WeakPolarHBondContact O-CB 3.1Å; N41-V44 PolarHBondContact O-N 2.92Å; Y42-V44 PolarHBondContact O-N 3.4Å; V44-F47 PolarHBondContact O-N 2.87Å; V44-Q48 WeakPolarHBondContact O-CB 3.48Å; V44-Q48 PolarHBondContact O-N 2.78Å; V44-V60 HydrophobicContact CB-CG2 4.42Å; V44-V60 HydrophobicContact CG1-CG1 4.4Å; V44-V60 HydrophobicContact CG1-CG2 4.27Å; V44-V60 HydrophobicContact CG2-CG2 4.26Å; V44-A62 HydrophobicContact CG2-CB 4.1Å; V44-L67 HydrophobicContact CB-CD1 4.41Å; V44-L67 HydrophobicContact CG2-CD1 3.47Å; V44-L67 VanDerWaalsContact CG2-CD1 3.47Å
45	Y	98.9	Very high	98.6	Very high	142 Å²	142	60.7 Å²	60.7	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-53.2	180	173.8	-94.4	0	0	0	112.6	N41 Y42 M43 F47 Q48 Y49	N41-Y45 PolarHBondContact O-N 3.35Å; N41-Y45 VanDerWaalsContact O-N 3.16Å; Y42-Y45 AromaticContact CD2-CD1 3.98Å; Y42-Y45 HydrophobicContact CD2-CD1 3.98Å; Y42-Y45 AromaticContact CE2-CD1 3.84Å; Y42-Y45 HydrophobicContact CE2-CD1 3.84Å; Y42-Y45 HydrophobicContact CE2-CE1 4.36Å; Y42-Y45 PolarHBondContact O-N 2.95Å; M43-Y45 VanDerWaalsContact C-N 3.34Å; M43-Y45 PolarHBondContact O-N 2.95Å; Y45-F47 PolarHBondContact O-N 3.46Å; Y45-Q48 PolarHBondContact O-N 2.96Å; Y45-Y49 AromaticContact CD2-CD2 3.69Å; Y45-Y49 HydrophobicContact CD2-CD2 3.69Å; Y45-Y49 HydrophobicContact CD2-CE2 4.09Å; Y45-Y49 AromaticContact CE2-CD2 3.77Å; Y45-Y49 HydrophobicContact CE2-CD2 3.77Å; Y45-Y49 HydrophobicContact CE2-CE2 4.29Å; Y45-Y49 HydrophobicContact CG-CD2 4.43Å; Y45-Y49 PolarHBondContact O-N 3.07Å
46	M	98.8	Very high	98.6	Very high	38 Å²	38	60.7 Å²	60.7	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-26.9	-177.2	-68.3	-169.9	83.5	0	0	113.1	R16 I38 Y42	R16-M46 WeakPolarHBondContact CD-O 3.29Å; R16-M46 PolarHBondContact NE-O 3.45Å; I38-M46 HydrophobicContact CD1-SD 3.82Å; I38-M46 HydrophobicContact CG1-SD 4.23Å; I38-M46 HydrophobicContact CG2-SD 3.98Å; Y42-M46 HydrophobicContact CD1-SD 4.29Å; Y42-M46 HydrophobicContact CD2-CG 3.64Å; Y42-M46 HydrophobicContact CD2-SD 4.15Å; Y42-M46 HydrophobicContact CE1-SD 3.92Å; Y42-M46 HydrophobicContact CE2-CG 3.39Å; Y42-M46 HydrophobicContact CE2-SD 3.78Å; Y42-M46 HydrophobicContact CG-CG 4.34Å; Y42-M46 HydrophobicContact CG-SD 4.38Å; Y42-M46 WeakPolarHBondContact O-CB 3.49Å; Y42-M46 WeakPolarHBondContact O-CG 3.38Å; Y42-M46 PolarHBondContact O-N 2.78Å
47	F	98.8	Very high	98.5	Very high	1 Å²	1	67.9 Å²	67.9	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-81.5	-40.8	174.9	-170.3	-101.2	0	0	0	112.1	F11 R16 T19 R20 M43 V44 Y45 F56 V60 I69	F11-F47 HydrophobicContact CE1-CB 4.21Å; F11-F47 HydrophobicContact CE1-CD2 4.42Å; F11-F47 HydrophobicContact CE2-CD2 4.5Å; F11-F47 HydrophobicContact CZ-CB 4.25Å; F11-F47 AromaticContact CZ-CD2 3.69Å; F11-F47 HydrophobicContact CZ-CD2 3.69Å; F11-F47 HydrophobicContact CZ-CE2 4.46Å; F11-F47 HydrophobicContact CZ-CG 4.27Å; R16-F47 HydrophobicContact CB-CD2 4.35Å; T19-F47 HydrophobicContact CG2-CE2 3.67Å; T19-F47 HydrophobicContact CG2-CZ 3.98Å; R20-F47 HydrophobicContact CG-CE2 3.57Å; R20-F47 HydrophobicContact CG-CZ 3.68Å; R20-F47 PolarHBondContact NH2-O 2.9Å; M43-F47 WeakPolarHBondContact O-CB 3.39Å; M43-F47 PolarHBondContact O-N 3.27Å; V44-F47 PolarHBondContact O-N 2.87Å; Y45-F47 PolarHBondContact O-N 3.46Å; F47-F56 HydrophobicContact CD1-CB 4.49Å; F47-F56 HydrophobicContact CD1-CD1 4.15Å; F47-F56 HydrophobicContact CD1-CG 4.18Å; F47-F56 HydrophobicContact CE1-CB 4.37Å; F47-F56 AromaticContact CE1-CD1 3.61Å; F47-F56 HydrophobicContact CE1-CD1 3.61Å; F47-F56 AromaticContact CE1-CD2 3.76Å; F47-F56 HydrophobicContact CE1-CD2 3.76Å; F47-F56 AromaticContact CE1-CE1 3.7Å; F47-F56 HydrophobicContact CE1-CE1 3.7Å; F47-F56 AromaticContact CE1-CE2 3.86Å; F47-F56 HydrophobicContact CE1-CE2 3.86Å; F47-F56 AromaticContact CE1-CG 3.64Å; F47-F56 HydrophobicContact CE1-CG 3.64Å; F47-F56 AromaticContact CE1-CZ 3.82Å; F47-F56 HydrophobicContact CE1-CZ 3.82Å; F47-F56 HydrophobicContact CZ-CD2 4.01Å; F47-F56 AromaticContact CZ-CE2 3.95Å; F47-F56 HydrophobicContact CZ-CE2 3.95Å; F47-F56 HydrophobicContact CZ-CG 4.34Å; F47-F56 HydrophobicContact CZ-CZ 4.21Å; F47-V60 HydrophobicContact CD1-CB 4.03Å; F47-V60 HydrophobicContact CD1-CG1 4.14Å; F47-V60 HydrophobicContact CD1-CG2 4Å; F47-I69 HydrophobicContact CD1-CD1 4Å; F47-I69 HydrophobicContact CD1-CG1 4.46Å; F47-I69 HydrophobicContact CE1-CD1 3.64Å; F47-I69 HydrophobicContact CE1-CG1 4.18Å; F47-I69 HydrophobicContact CE1-CG2 3.99Å; F47-I69 HydrophobicContact CE2-CD1 4.33Å; F47-I69 HydrophobicContact CG-CD1 4.48Å; F47-I69 HydrophobicContact CZ-CD1 3.82Å; F47-I69 HydrophobicContact CZ-CG2 4.45Å
48	Q	98.8	Very high	98.5	Very high	39 Å²	39	62 Å²	62	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-39.7	179.7	-178.9	59.3	73.3	0	0	112.5	V44 Y45 K55 F56 V60	V44-Q48 WeakPolarHBondContact O-CB 3.48Å; V44-Q48 PolarHBondContact O-N 2.78Å; Y45-Q48 PolarHBondContact O-N 2.96Å; Q48-K55 CarbonylContact O-C 3.57Å; Q48-K55 VanDerWaalsContact O-CA 3.28Å; Q48-K55 WeakPolarHBondContact O-CA 3.33Å; Q48-F56 PolarHBondContact NE2-O 2.93Å; Q48-F56 PolarHBondContact O-N 2.83Å; Q48-V60 HydrophobicContact CB-CG1 3.72Å; Q48-V60 HydrophobicContact CG-CG1 4.33Å; Q48-V60 VanDerWaalsContact OE1-CG1 3.27Å
49	Y	98.8	Very high	98.5	Very high	115 Å²	115	65.8 Å²	65.8	45%	0.451	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.9	-174.1	-58.8	-74.4	0	0	0	111	Y45 K55	Y45-Y49 AromaticContact CD2-CD2 3.69Å; Y45-Y49 HydrophobicContact CD2-CD2 3.69Å; Y45-Y49 HydrophobicContact CD2-CE2 4.09Å; Y45-Y49 AromaticContact CE2-CD2 3.77Å; Y45-Y49 HydrophobicContact CE2-CD2 3.77Å; Y45-Y49 HydrophobicContact CE2-CE2 4.29Å; Y45-Y49 HydrophobicContact CG-CD2 4.43Å; Y45-Y49 PolarHBondContact O-N 3.07Å; Y49-K55 HydrophobicContact CD1-CD 4.26Å; Y49-K55 HydrophobicContact CD1-CG 3.97Å; Y49-K55 HydrophobicContact CE1-CD 4.01Å; Y49-K55 HydrophobicContact CE1-CG 4.23Å
50	D	98.8	Very high	98.5	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.059	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.8	175.2	-163.3	-81.4	0	0	0	110.1	R13 T52 H53 G54	R13-D50 IonicContact CZ-OD1 3.16Å; R13-D50 IonicContact CZ-OD2 3.67Å; R13-D50 IonicContact NH1-OD1 3.82Å; R13-D50 PolarHBondContact NH1-OD1 3.17Å; R13-D50 IonicContact NH1-OD2 2.74Å; R13-D50 PolarHBondContact NH1-OD2 3.29Å; R13-D50 IonicContact NH2-OD1 3.28Å; R13-D50 PolarHBondContact NH2-OD1 3.41Å; R13-D50 IonicContact NH2-OD2 3.71Å; R13-D50 PolarHBondContact NH2-OD2 3.38Å; D50-T52 VanDerWaalsContact C-N 3.25Å; D50-T52 PolarHBondContact O-N 2.88Å; D50-T52 WeakPolarHBondContact OD1-CB 3.28Å; D50-T52 PolarHBondContact OD1-N 3.45Å; D50-H53 IonicContact OD1-CD2 2.66Å; D50-H53 PolarHBondContact OD1-N 3.42Å; D50-G54 WeakPolarHBondContact CB-O 3.38Å; D50-G54 PolarHBondContact N-O 3.14Å; D50-G54 CarbonylContact O-C 3.19Å; D50-G54 WeakPolarHBondContact O-CA 3.34Å; D50-G54 PolarHBondContact O-N 2.9Å
51	S	98.8	Very high	98.5	Very high	131 Å²	131	65.8 Å²	65.8	92%	0.916	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.3	-178.3	-53.5	0	0	0	0	113.2
52	T	98.7	Very high	98.5	Very high	35 Å²	35	62.1 Å²	62.1	22%	0.215	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-49.4	-177.3	-55	0	0	0	0	110.9	R13 D50 N239	R13-T52 PolarHBondContact NH2-OG1 3.03Å; D50-T52 VanDerWaalsContact C-N 3.25Å; D50-T52 PolarHBondContact O-N 2.88Å; D50-T52 WeakPolarHBondContact OD1-CB 3.28Å; D50-T52 PolarHBondContact OD1-N 3.45Å; T52-N239 HydrophobicContact CG2-CB 3.36Å; T52-N239 WeakPolarHBondContact CG2-ND2 3.44Å
53	H	98.6	Very high	98.5	Very high	21 Å²	21	61 Å²	61	10%	0.097	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	16	-171.9	-56.8	-73.3	0	0	0	113.3	R13 L17 R20 D50 N239 S288 D315 E317 F318	R13-H53 PolarHBondContact NH2-CD2 2.83Å; L17-H53 WeakPolarHBondContact CD1-NE2 3.36Å; L17-H53 HydrophobicContact CD2-CB 4.37Å; L17-H53 VanDerWaalsContact CD2-CD2 3.48Å; L17-H53 WeakPolarHBondContact CD2-CD2 3.47Å; R20-H53 PolarHBondContact NH1-O 3.34Å; D50-H53 IonicContact OD1-CD2 2.66Å; D50-H53 PolarHBondContact OD1-N 3.42Å; H53-N239 PolarHBondContact CE1-ND2 3.3Å; H53-S288 PolarHBondContact ND1-OG 2.66Å; H53-D315 IonicContact CE1-OD1 3.81Å; H53-D315 IonicContact CE1-OD2 2.63Å; H53-D315 PolarHBondContact CE1-OD2 3Å; H53-E317 IonicContact NE2-OE2 3.35Å; H53-E317 PolarHBondContact NE2-OE2 3.22Å; H53-F318 AromaticContact CE1-CD2 3.84Å; H53-F318 AromaticContact ND1-CD2 3.76Å
54	G	98.4	Very high	98.4	Very high	35 Å²	35	68.4 Å²	68.4	36%	0.361	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.5	-172.5	177.9	0	0	0	0	0	114.8	R20 D50	R20-G54 PolarHBondContact NH1-O 3.5Å; R20-G54 PolarHBondContact NH2-O 3.28Å; R20-G54 VanDerWaalsContact NH2-O 3.13Å; D50-G54 WeakPolarHBondContact CB-O 3.38Å; D50-G54 PolarHBondContact N-O 3.14Å; D50-G54 CarbonylContact O-C 3.19Å; D50-G54 WeakPolarHBondContact O-CA 3.34Å; D50-G54 PolarHBondContact O-N 2.9Å
55	K	98.4	Very high	98.3	Very high	130 Å²	130	69.9 Å²	69.9	57%	0.565	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	142.2	178.8	-65.2	-173.4	-176.3	-176.4	0	110.4	Q48 Y49 H57	Q48-K55 CarbonylContact O-C 3.57Å; Q48-K55 VanDerWaalsContact O-CA 3.28Å; Q48-K55 WeakPolarHBondContact O-CA 3.33Å; Y49-K55 HydrophobicContact CD1-CD 4.26Å; Y49-K55 HydrophobicContact CD1-CG 3.97Å; Y49-K55 HydrophobicContact CE1-CD 4.01Å; Y49-K55 HydrophobicContact CE1-CG 4.23Å; K55-H57 PolarHBondContact O-CD2 3.14Å; K55-H57 PolarHBondContact O-N 2.87Å
56	F	98.3	Very high	98.3	Very high	14 Å²	14	67 Å²	67	6%	0.061	37%	0.373	C	S	.	.			trans	-65.2	126.9	167	-176.8	-115.2	0	0	0	109.4	R20 F47 Q48 G58 V60 I69	R20-F56 HydrophobicContact CG-CD2 4.19Å; R20-F56 HydrophobicContact CG-CE2 4.47Å; F47-F56 HydrophobicContact CD1-CB 4.49Å; F47-F56 HydrophobicContact CD1-CD1 4.15Å; F47-F56 HydrophobicContact CD1-CG 4.18Å; F47-F56 HydrophobicContact CE1-CB 4.37Å; F47-F56 AromaticContact CE1-CD1 3.61Å; F47-F56 HydrophobicContact CE1-CD1 3.61Å; F47-F56 AromaticContact CE1-CD2 3.76Å; F47-F56 HydrophobicContact CE1-CD2 3.76Å; F47-F56 AromaticContact CE1-CE1 3.7Å; F47-F56 HydrophobicContact CE1-CE1 3.7Å; F47-F56 AromaticContact CE1-CE2 3.86Å; F47-F56 HydrophobicContact CE1-CE2 3.86Å; F47-F56 AromaticContact CE1-CG 3.64Å; F47-F56 HydrophobicContact CE1-CG 3.64Å; F47-F56 AromaticContact CE1-CZ 3.82Å; F47-F56 HydrophobicContact CE1-CZ 3.82Å; F47-F56 HydrophobicContact CZ-CD2 4.01Å; F47-F56 AromaticContact CZ-CE2 3.95Å; F47-F56 HydrophobicContact CZ-CE2 3.95Å; F47-F56 HydrophobicContact CZ-CG 4.34Å; F47-F56 HydrophobicContact CZ-CZ 4.21Å; Q48-F56 PolarHBondContact NE2-O 2.93Å; Q48-F56 PolarHBondContact O-N 2.83Å; F56-G58 VanDerWaalsContact CE1-C 3.47Å; F56-V60 HydrophobicContact CD1-CG1 4.49Å; F56-I69 HydrophobicContact CE1-CG2 3.75Å; F56-I69 HydrophobicContact CZ-CG2 3.77Å
57	H	96.1	Very high	98.3	Very high	187 Å²	187	65.2 Å²	65.2	87%	0.866	36%	0.364	S	S	*	.	S	Bend	trans	-83.3	-12.9	-175.4	-65.4	171.6	0	0	0	114	K55	K55-H57 PolarHBondContact O-CD2 3.14Å; K55-H57 PolarHBondContact O-N 2.87Å
58	G	97.3	Very high	98.3	Very high	26 Å²	26	65.5 Å²	65.5	27%	0.268	37%	0.366	S	S	.	.	S	Bend	trans	-86.2	-166.6	171.7	0	0	0	0	0	112.4	F56 N70	F56-G58 VanDerWaalsContact CE1-C 3.47Å; G58-N70 WeakPolarHBondContact CA-OD1 3.5Å
59	T	98.4	Very high	98.2	Very high	91 Å²	91	63.7 Å²	63.7	56%	0.558	36%	0.357	S	S	*	.			trans	-99.9	136	175.9	60.5	0	0	0	0	110.3	I69 N70	T59-I69 CarbonylContact O-C 3.53Å; T59-I69 VanDerWaalsContact O-CA 3.31Å; T59-I69 WeakPolarHBondContact O-CA 3.23Å; T59-N70 PolarHBondContact N-OD1 3.06Å; T59-N70 PolarHBondContact O-N 3.39Å; T59-N70 WeakPolarHBondContact OG1-CA 3.34Å; T59-N70 PolarHBondContact OG1-N 3.26Å
60	V	98.7	Very high	98.2	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.091	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.4	168.2	55.9	0	0	0	0	109.8	V44 F47 Q48 F56 L67 V68 I69	V44-V60 HydrophobicContact CB-CG2 4.42Å; V44-V60 HydrophobicContact CG1-CG1 4.4Å; V44-V60 HydrophobicContact CG1-CG2 4.27Å; V44-V60 HydrophobicContact CG2-CG2 4.26Å; F47-V60 HydrophobicContact CD1-CB 4.03Å; F47-V60 HydrophobicContact CD1-CG1 4.14Å; F47-V60 HydrophobicContact CD1-CG2 4Å; Q48-V60 HydrophobicContact CB-CG1 3.72Å; Q48-V60 HydrophobicContact CG-CG1 4.33Å; Q48-V60 VanDerWaalsContact OE1-CG1 3.27Å; F56-V60 HydrophobicContact CD1-CG1 4.49Å; V60-L67 HydrophobicContact CG2-CD1 3.56Å; V60-L67 HydrophobicContact CG2-CG 4.28Å; V60-V68 WeakPolarHBondContact CA-O 3.4Å; V60-I69 HydrophobicContact CB-CG1 4.36Å; V60-I69 HydrophobicContact CG2-CG1 4Å
61	K	98.7	Very high	98.2	Very high	97 Å²	97	64 Å²	64	42%	0.422	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.5	178	63.6	175.2	-179	162.3	0	111.4	E63 V68	K61-E63 WeakPolarHBondContact CE-OE2 3.32Å; K61-E63 IonicContact NZ-OE1 3.41Å; K61-E63 PolarHBondContact NZ-OE1 3.31Å; K61-E63 IonicContact NZ-OE2 2.82Å; K61-E63 PolarHBondContact NZ-OE2 2.84Å; K61-V68 HydrophobicContact CG-CB 3.97Å; K61-V68 PolarHBondContact N-O 3.35Å; K61-V68 PolarHBondContact O-N 2.99Å
62	A	98.7	Very high	98.1	Very high	41 Å²	41	60.3 Å²	60.3	34%	0.339	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.5	165.9	0	0	0	0	0	109	L40 V44 K66	L40-A62 HydrophobicContact CD1-CB 4.23Å; L40-A62 HydrophobicContact CD2-CB 3.77Å; L40-A62 HydrophobicContact CG-CB 3.75Å; V44-A62 HydrophobicContact CG2-CB 4.1Å; A62-K66 WeakPolarHBondContact CA-O 3.37Å
63	E	98.5	Very high	98.1	Very high	83 Å²	83	62.4 Å²	62.4	39%	0.388	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	128.2	178.2	-176	166.9	-115.8	0	0	109.6	K61 G65 K66 V68	K61-E63 WeakPolarHBondContact CE-OE2 3.32Å; K61-E63 IonicContact NZ-OE1 3.41Å; K61-E63 PolarHBondContact NZ-OE1 3.31Å; K61-E63 IonicContact NZ-OE2 2.82Å; K61-E63 PolarHBondContact NZ-OE2 2.84Å; E63-G65 VanDerWaalsContact C-N 3.28Å; E63-G65 PolarHBondContact O-N 3.31Å; E63-K66 PolarHBondContact N-O 2.89Å; E63-K66 WeakPolarHBondContact O-CB 3.49Å; E63-K66 PolarHBondContact O-N 2.98Å; E63-V68 HydrophobicContact CB-CG2 3.82Å
64	N	96.9	Very high	98.1	Very high	157 Å²	157	61.4 Å²	61.4	84%	0.84	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.4	178.5	-57.6	-34.7	0	0	0	114.2	K66	N64-K66 PolarHBondContact O-N 3.22Å
65	G	96.8	Very high	98.2	Very high	59 Å²	59	61.4 Å²	61.4	61%	0.608	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	10.4	-178.7	0	0	0	0	0	114.8	E63	E63-G65 VanDerWaalsContact C-N 3.28Å; E63-G65 PolarHBondContact O-N 3.31Å
66	K	98.5	Very high	98.2	Very high	82 Å²	82	56.7 Å²	56.7	36%	0.357	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.2	178.7	-65	-169.7	179.3	-170.8	0	111.4	A62 E63 N64 P73 I74	A62-K66 WeakPolarHBondContact CA-O 3.37Å; E63-K66 PolarHBondContact N-O 2.89Å; E63-K66 WeakPolarHBondContact O-CB 3.49Å; E63-K66 PolarHBondContact O-N 2.98Å; N64-K66 PolarHBondContact O-N 3.22Å; K66-P73 HydrophobicContact CD-CB 3.89Å; K66-I74 WeakPolarHBondContact CA-O 3.47Å; K66-I74 WeakPolarHBondContact CB-O 3.34Å
67	L	98.7	Very high	98.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122	166.9	-175.2	69.3	0	0	0	108	F11 I33 L40 V44 V60 I69 I74 I76	F11-L67 HydrophobicContact CZ-CD2 4.47Å; I33-L67 HydrophobicContact CD1-CD2 3.91Å; L40-L67 HydrophobicContact CD1-CB 3.79Å; L40-L67 HydrophobicContact CD1-CD1 4.14Å; V44-L67 HydrophobicContact CB-CD1 4.41Å; V44-L67 HydrophobicContact CG2-CD1 3.47Å; V44-L67 VanDerWaalsContact CG2-CD1 3.47Å; V60-L67 HydrophobicContact CG2-CD1 3.56Å; V60-L67 HydrophobicContact CG2-CG 4.28Å; L67-I69 HydrophobicContact CD2-CD1 3.87Å; L67-I69 HydrophobicContact CD2-CG1 4.21Å; L67-I69 HydrophobicContact CG-CD1 4.31Å; L67-I69 HydrophobicContact CG-CG1 4.08Å; L67-I74 HydrophobicContact CB-CB 4.32Å; L67-I74 PolarHBondContact N-O 3.27Å; L67-I74 VanDerWaalsContact N-O 3.08Å; L67-I74 WeakPolarHBondContact O-CA 3.48Å; L67-I74 VanDerWaalsContact O-CB 3.31Å; L67-I74 WeakPolarHBondContact O-CB 3.41Å; L67-I74 PolarHBondContact O-N 3.05Å; L67-I76 HydrophobicContact CB-CD1 3.78Å; L67-I76 HydrophobicContact CB-CG1 4.08Å; L67-I76 HydrophobicContact CD2-CD1 4.47Å
68	V	98.8	Very high	98.3	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111	179.4	-177.6	0	0	0	0	108.9	V60 K61 E63 S72 P73	V60-V68 WeakPolarHBondContact CA-O 3.4Å; K61-V68 HydrophobicContact CG-CB 3.97Å; K61-V68 PolarHBondContact N-O 3.35Å; K61-V68 PolarHBondContact O-N 2.99Å; E63-V68 HydrophobicContact CB-CG2 3.82Å; V68-S72 WeakPolarHBondContact CA-O 3.41Å; V68-P73 HydrophobicContact CG2-CB 4.36Å
69	I	98.6	Very high	98.3	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.1	178.3	-58.1	175.4	0	0	0	108.5	T19 F23 F47 F56 T59 V60 L67 G71 S72 I74	T19-I69 HydrophobicContact CG2-CD1 3.94Å; F23-I69 HydrophobicContact CD1-CG2 3.91Å; F23-I69 HydrophobicContact CD2-CG2 3.87Å; F23-I69 HydrophobicContact CE1-CB 3.95Å; F23-I69 HydrophobicContact CE1-CG2 3.69Å; F23-I69 WeakPolarHBondContact CE1-O 3.4Å; F23-I69 HydrophobicContact CE2-CB 3.82Å; F23-I69 HydrophobicContact CE2-CD1 3.9Å; F23-I69 HydrophobicContact CE2-CG1 4.45Å; F23-I69 HydrophobicContact CE2-CG2 3.67Å; F23-I69 HydrophobicContact CG-CG2 4.01Å; F23-I69 HydrophobicContact CZ-CB 3.5Å; F23-I69 HydrophobicContact CZ-CD1 4.41Å; F23-I69 HydrophobicContact CZ-CG1 4.5Å; F23-I69 HydrophobicContact CZ-CG2 3.59Å; F47-I69 HydrophobicContact CD1-CD1 4Å; F47-I69 HydrophobicContact CD1-CG1 4.46Å; F47-I69 HydrophobicContact CE1-CD1 3.64Å; F47-I69 HydrophobicContact CE1-CG1 4.18Å; F47-I69 HydrophobicContact CE1-CG2 3.99Å; F47-I69 HydrophobicContact CE2-CD1 4.33Å; F47-I69 HydrophobicContact CG-CD1 4.48Å; F47-I69 HydrophobicContact CZ-CD1 3.82Å; F47-I69 HydrophobicContact CZ-CG2 4.45Å; F56-I69 HydrophobicContact CE1-CG2 3.75Å; F56-I69 HydrophobicContact CZ-CG2 3.77Å; T59-I69 CarbonylContact O-C 3.53Å; T59-I69 VanDerWaalsContact O-CA 3.31Å; T59-I69 WeakPolarHBondContact O-CA 3.23Å; V60-I69 HydrophobicContact CB-CG1 4.36Å; V60-I69 HydrophobicContact CG2-CG1 4Å; L67-I69 HydrophobicContact CD2-CD1 3.87Å; L67-I69 HydrophobicContact CD2-CG1 4.21Å; L67-I69 HydrophobicContact CG-CD1 4.31Å; L67-I69 HydrophobicContact CG-CG1 4.08Å; I69-G71 PolarHBondContact O-N 3.23Å; I69-G71 VanDerWaalsContact O-N 3.12Å; I69-S72 PolarHBondContact N-O 2.68Å; I69-S72 WeakPolarHBondContact O-CB 3.32Å; I69-S72 PolarHBondContact O-N 3.37Å; I69-I74 HydrophobicContact CB-CD1 4.33Å; I69-I74 HydrophobicContact CD1-CD1 3.63Å; I69-I74 HydrophobicContact CG1-CD1 4Å
70	N	98.1	Very high	98.3	Very high	75 Å²	75	60.4 Å²	60.4	40%	0.401	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.8	-176.8	-65.1	-10.3	0	0	0	113.6	F23 G58 T59 S72	F23-N70 HydrophobicContact CD1-CB 4.27Å; F23-N70 HydrophobicContact CE1-CB 4.26Å; G58-N70 WeakPolarHBondContact CA-OD1 3.5Å; T59-N70 PolarHBondContact N-OD1 3.06Å; T59-N70 PolarHBondContact O-N 3.39Å; T59-N70 WeakPolarHBondContact OG1-CA 3.34Å; T59-N70 PolarHBondContact OG1-N 3.26Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 2.64Å
71	G	98	Very high	98.3	Very high	57 Å²	57	62.7 Å²	62.7	59%	0.588	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-9.8	-177.1	0	0	0	0	0	115.3	I69 P73	I69-G71 PolarHBondContact O-N 3.23Å; I69-G71 VanDerWaalsContact O-N 3.12Å; G71-P73 WeakPolarHBondContact O-CD 3.31Å
72	S	98	Very high	98.3	Very high	55 Å²	55	58.4 Å²	58.4	39%	0.385	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.2	178.8	-62.1	0	0	0	0	111.5	V68 I69 N70	V68-S72 WeakPolarHBondContact CA-O 3.41Å; I69-S72 PolarHBondContact N-O 2.68Å; I69-S72 WeakPolarHBondContact O-CB 3.32Å; I69-S72 PolarHBondContact O-N 3.37Å; N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 2.64Å
73	P	98.4	Very high	98.2	Very high	79 Å²	79	57.9 Å²	57.9	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.6	178.1	31.7	-33.8	0	0	0	112.1	K66 V68 G71	K66-P73 HydrophobicContact CD-CB 3.89Å; V68-P73 HydrophobicContact CG2-CB 4.36Å; G71-P73 WeakPolarHBondContact O-CD 3.31Å
74	I	98.9	Very high	98.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.6	-177.6	-55.5	173.5	0	0	0	108.7	F23 I30 I33 K66 L67 I69 I76	F23-I74 HydrophobicContact CE2-CD1 4.11Å; F23-I74 HydrophobicContact CZ-CD1 4.14Å; I30-I74 HydrophobicContact CB-CD1 4.39Å; I30-I74 HydrophobicContact CG2-CD1 4.09Å; I30-I74 HydrophobicContact CG2-CG2 4.21Å; I33-I74 HydrophobicContact CB-CG2 4.5Å; I33-I74 HydrophobicContact CD1-CD1 4.49Å; I33-I74 HydrophobicContact CD1-CG2 3.89Å; I33-I74 HydrophobicContact CG1-CG2 3.91Å; K66-I74 WeakPolarHBondContact CA-O 3.47Å; K66-I74 WeakPolarHBondContact CB-O 3.34Å; L67-I74 HydrophobicContact CB-CB 4.32Å; L67-I74 PolarHBondContact N-O 3.27Å; L67-I74 VanDerWaalsContact N-O 3.08Å; L67-I74 WeakPolarHBondContact O-CA 3.48Å; L67-I74 VanDerWaalsContact O-CB 3.31Å; L67-I74 WeakPolarHBondContact O-CB 3.41Å; L67-I74 PolarHBondContact O-N 3.05Å; I69-I74 HydrophobicContact CB-CD1 4.33Å; I69-I74 HydrophobicContact CD1-CD1 3.63Å; I69-I74 HydrophobicContact CG1-CD1 4Å; I74-I76 HydrophobicContact CG2-CD1 4.36Å
75	T	98.8	Very high	98.3	Very high	34 Å²	34	52 Å²	52	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.2	176.7	-61	0	0	0	0	110.3	V31 A32 I33 F77 A90	V31-T75 PolarHBondContact O-N 2.87Å; A32-T75 CarbonylContact C-O 3.56Å; A32-T75 WeakPolarHBondContact CA-O 3.34Å; I33-T75 PolarHBondContact N-O 3.05Å; T75-F77 HydrophobicContact CG2-CD2 4.43Å; T75-F77 HydrophobicContact CG2-CE1 4.07Å; T75-F77 HydrophobicContact CG2-CE2 3.81Å; T75-F77 HydrophobicContact CG2-CZ 3.6Å; T75-A90 HydrophobicContact CG2-CB 4.21Å
76	I	98.7	Very high	98.4	Very high	31 Å²	31	54.4 Å²	54.4	16%	0.159	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.6	178.6	-57.6	-51	0	0	0	110.5	I33 L40 M43 L67 I74	I33-I76 HydrophobicContact CB-CD1 3.84Å; I33-I76 HydrophobicContact CD1-CD1 4.4Å; I33-I76 CarbonylContact O-C 3.52Å; I33-I76 WeakPolarHBondContact O-CA 3.31Å; L40-I76 HydrophobicContact CD1-CG1 3.92Å; M43-I76 HydrophobicContact CE-CG2 3.67Å; M43-I76 HydrophobicContact SD-CD1 3.63Å; M43-I76 HydrophobicContact SD-CG1 4.14Å; M43-I76 HydrophobicContact SD-CG2 3.82Å; L67-I76 HydrophobicContact CB-CD1 3.78Å; L67-I76 HydrophobicContact CB-CG1 4.08Å; L67-I76 HydrophobicContact CD2-CD1 4.47Å; I74-I76 HydrophobicContact CG2-CD1 4.36Å
77	F	98.6	Very high	98.4	Very high	36 Å²	36	50.5 Å²	50.5	16%	0.158	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.5	171.3	-58.3	-73.5	0	0	0	110.3	A32 I33 N34 D35 T75 I85 K86 W87 A90	A32-F77 HydrophobicContact CB-CD2 4.47Å; A32-F77 HydrophobicContact CB-CE2 4.01Å; I33-F77 PolarHBondContact O-N 3.45Å; N34-F77 WeakPolarHBondContact CA-O 3.5Å; N34-F77 HydrophobicContact CB-CB 3.99Å; N34-F77 VanDerWaalsContact OD1-CB 3.23Å; N34-F77 WeakPolarHBondContact OD1-CB 3.43Å; N34-F77 PolarHBondContact OD1-O 3.38Å; D35-F77 PolarHBondContact N-O 3.06Å; D35-F77 VanDerWaalsContact N-O 3.14Å; T75-F77 HydrophobicContact CG2-CD2 4.43Å; T75-F77 HydrophobicContact CG2-CE1 4.07Å; T75-F77 HydrophobicContact CG2-CE2 3.81Å; T75-F77 HydrophobicContact CG2-CZ 3.6Å; F77-I85 HydrophobicContact CB-CG2 4.14Å; F77-I85 HydrophobicContact CD1-CG2 4.49Å; F77-I85 HydrophobicContact CD2-CG2 3.53Å; F77-I85 HydrophobicContact CE2-CG2 3.97Å; F77-I85 HydrophobicContact CG-CG2 3.82Å; F77-K86 HydrophobicContact CE1-CB 4.17Å; F77-K86 HydrophobicContact CZ-CB 4.23Å; F77-K86 WeakPolarHBondContact CZ-O 3.41Å; F77-W87 HydrophobicContact CD2-CZ3 4.31Å; F77-W87 HydrophobicContact CE2-CE3 4.33Å; F77-W87 HydrophobicContact CE2-CZ3 4.46Å; F77-A90 HydrophobicContact CE2-CB 4.17Å; F77-A90 HydrophobicContact CZ-CB 4.23Å
78	Q	98.1	Very high	98.4	Very high	101 Å²	101	52.4 Å²	52.4	47%	0.472	28%	0.284	S	S	.	.			trans	-133.5	39.7	178.7	-63.4	-160.3	-62.1	0	0	112	N34 P36 I38 D39	N34-Q78 PolarHBondContact OD1-N 2.93Å; P36-Q78 WeakPolarHBondContact CB-O 3.21Å; I38-Q78 PolarHBondContact O-NE2 3.37Å; D39-Q78 VanDerWaalsContact CA-NE2 3.32Å
79	E	98.5	Very high	98.4	Very high	76 Å²	76	58.8 Å²	58.8	36%	0.355	32%	0.318	S	S	.	.			trans	-87.5	134.5	-177.6	-61.9	-60.3	152.8	0	0	111.3	N34 K84 I85	N34-E79 PolarHBondContact ND2-O 3.47Å; N34-E79 PolarHBondContact OD1-N 3.31Å; N34-E79 PolarHBondContact OD1-O 2.78Å; E79-K84 HydrophobicContact CB-CB 4.42Å; E79-K84 HydrophobicContact CG-CB 4.1Å; E79-I85 HydrophobicContact CB-CG1 3.74Å; E79-I85 HydrophobicContact CG-CG1 4.18Å
80	R	98	Very high	98.3	Very high	184 Å²	184	59.7 Å²	59.7	69%	0.694	33%	0.325	S	S	*	.	S	Bend	trans	-80.5	-29.7	170.1	-68.3	-174.9	176.6	-163.5	0.6	112.7	P36	P36-R80 HydrophobicContact CB-CG 3.58Å; P36-R80 HydrophobicContact CG-CG 3.77Å
81	D	97.9	Very high	98.3	Very high	63 Å²	63	57.3 Å²	57.3	34%	0.337	32%	0.318	S	S	.	.	S	Bend	trans	-95.8	113.8	-179.8	-178.8	-13.1	0	0	0	109.2	S83 K84	D81-S83 PolarHBondContact O-N 3.23Å; D81-S83 VanDerWaalsContact O-N 3.1Å; D81-S83 WeakPolarHBondContact OD1-CB 3.42Å; D81-S83 PolarHBondContact OD1-N 2.81Å; D81-S83 PolarHBondContact OD1-OG 3.38Å; D81-S83 PolarHBondContact OD2-OG 3.48Å; D81-K84 HydrophobicContact CB-CD 4.01Å; D81-K84 HydrophobicContact CB-CG 4.02Å; D81-K84 PolarHBondContact O-N 2.64Å
82	P	97.9	Very high	98.4	Very high	7 Å²	7	54.7 Å²	54.7	5%	0.045	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.1	-175.8	23.7	-33.4	0	0	0	114.2	K84 I85 F102 A110 H111	P82-K84 VanDerWaalsContact C-N 3.32Å; P82-I85 HydrophobicContact CB-CD1 4.41Å; P82-F102 HydrophobicContact CB-CE2 4.46Å; P82-F102 HydrophobicContact CG-CD1 4.04Å; P82-F102 HydrophobicContact CG-CD2 4.25Å; P82-F102 HydrophobicContact CG-CE1 3.79Å; P82-F102 HydrophobicContact CG-CE2 4.02Å; P82-F102 HydrophobicContact CG-CG 4.28Å; P82-F102 HydrophobicContact CG-CZ 3.79Å; P82-A110 HydrophobicContact CB-CB 3.97Å; P82-A110 HydrophobicContact CG-CB 3.64Å; P82-H111 WeakPolarHBondContact CB-CE1 3.45Å; P82-H111 WeakPolarHBondContact CB-ND1 3.24Å; P82-H111 PolarHBondContact O-ND1 2.64Å
83	S	97.9	Very high	98.4	Very high	29 Å²	29	55.4 Å²	55.4	20%	0.203	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.5	176.4	69.3	0	0	0	0	113.6	D81 A110	D81-S83 PolarHBondContact O-N 3.23Å; D81-S83 VanDerWaalsContact O-N 3.1Å; D81-S83 WeakPolarHBondContact OD1-CB 3.42Å; D81-S83 PolarHBondContact OD1-N 2.81Å; D81-S83 PolarHBondContact OD1-OG 3.38Å; D81-S83 PolarHBondContact OD2-OG 3.48Å; S83-A110 WeakPolarHBondContact CA-O 3.49Å
84	K	98.4	Very high	98.4	Very high	117 Å²	117	51.7 Å²	51.7	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.4	-178.3	-63.4	-173.7	-176.5	179.3	0	113.1	E79 D81 P82 K86	E79-K84 HydrophobicContact CB-CB 4.42Å; E79-K84 HydrophobicContact CG-CB 4.1Å; D81-K84 HydrophobicContact CB-CD 4.01Å; D81-K84 HydrophobicContact CB-CG 4.02Å; D81-K84 PolarHBondContact O-N 2.64Å; P82-K84 VanDerWaalsContact C-N 3.32Å; K84-K86 PolarHBondContact O-N 2.99Å
85	I	98.7	Very high	98.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.			trans	-69.1	123.5	-178.3	-50.7	165.2	0	0	0	109.6	N34 F77 E79 P82 W87 G114	N34-I85 HydrophobicContact CB-CD1 3.84Å; N34-I85 HydrophobicContact CB-CG1 4.36Å; N34-I85 HydrophobicContact CB-CG2 4.36Å; N34-I85 WeakPolarHBondContact ND2-CD1 3.43Å; F77-I85 HydrophobicContact CB-CG2 4.14Å; F77-I85 HydrophobicContact CD1-CG2 4.49Å; F77-I85 HydrophobicContact CD2-CG2 3.53Å; F77-I85 HydrophobicContact CE2-CG2 3.97Å; F77-I85 HydrophobicContact CG-CG2 3.82Å; E79-I85 HydrophobicContact CB-CG1 3.74Å; E79-I85 HydrophobicContact CG-CG1 4.18Å; P82-I85 HydrophobicContact CB-CD1 4.41Å; I85-W87 VanDerWaalsContact C-N 3.32Å; I85-W87 HydrophobicContact CB-CD2 4.33Å; I85-W87 HydrophobicContact CB-CZ2 4.12Å; I85-W87 HydrophobicContact CD1-CH2 4.41Å; I85-W87 HydrophobicContact CD1-CZ2 3.59Å; I85-W87 HydrophobicContact CG1-CZ2 4.41Å; I85-W87 HydrophobicContact CG2-CD2 3.57Å; I85-W87 HydrophobicContact CG2-CE3 3.87Å; I85-W87 HydrophobicContact CG2-CG 4.18Å; I85-W87 HydrophobicContact CG2-CH2 3.83Å; I85-W87 HydrophobicContact CG2-CZ2 3.53Å; I85-W87 HydrophobicContact CG2-CZ3 3.99Å; I85-W87 PolarHBondContact O-N 3.46Å; I85-W87 VanDerWaalsContact O-N 3.09Å; I85-G114 WeakPolarHBondContact O-CA 3.43Å
86	K	98.5	Very high	98.4	Very high	110 Å²	110	50.1 Å²	50.1	48%	0.478	25%	0.254	S	S	.	.			trans	-88.3	65.9	-176.8	-55	-58.6	179.8	-176.3	0	111.8	F77 K84 G88 D89 A90	F77-K86 HydrophobicContact CE1-CB 4.17Å; F77-K86 HydrophobicContact CZ-CB 4.23Å; F77-K86 WeakPolarHBondContact CZ-O 3.41Å; K84-K86 PolarHBondContact O-N 2.99Å; K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 2.71Å; K86-D89 HydrophobicContact CB-CB 4.1Å; K86-D89 WeakPolarHBondContact CB-OD2 3.36Å; K86-D89 PolarHBondContact O-N 2.79Å; K86-A90 PolarHBondContact O-N 3.19Å
87	W	98.8	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-41.6	-180	-62.3	123.4	0	0	0	113.2	N9 A32 N34 F77 I85 D89 A90 G91 A92 V95 H111 G114 A116	N9-W87 HydrophobicContact CB-CZ2 4.19Å; A32-W87 HydrophobicContact CB-CE3 3.77Å; A32-W87 HydrophobicContact CB-CZ3 3.59Å; N34-W87 HydrophobicContact CB-CH2 3.85Å; N34-W87 HydrophobicContact CB-CZ2 4.31Å; F77-W87 HydrophobicContact CD2-CZ3 4.31Å; F77-W87 HydrophobicContact CE2-CE3 4.33Å; F77-W87 HydrophobicContact CE2-CZ3 4.46Å; I85-W87 VanDerWaalsContact C-N 3.32Å; I85-W87 HydrophobicContact CB-CD2 4.33Å; I85-W87 HydrophobicContact CB-CZ2 4.12Å; I85-W87 HydrophobicContact CD1-CH2 4.41Å; I85-W87 HydrophobicContact CD1-CZ2 3.59Å; I85-W87 HydrophobicContact CG1-CZ2 4.41Å; I85-W87 HydrophobicContact CG2-CD2 3.57Å; I85-W87 HydrophobicContact CG2-CE3 3.87Å; I85-W87 HydrophobicContact CG2-CG 4.18Å; I85-W87 HydrophobicContact CG2-CH2 3.83Å; I85-W87 HydrophobicContact CG2-CZ2 3.53Å; I85-W87 HydrophobicContact CG2-CZ3 3.99Å; I85-W87 PolarHBondContact O-N 3.46Å; I85-W87 VanDerWaalsContact O-N 3.09Å; W87-D89 VanDerWaalsContact C-N 3.33Å; W87-D89 PolarHBondContact O-N 3.39Å; W87-A90 CarbonylContact O-C 3.52Å; W87-A90 PolarHBondContact O-N 3.35Å; W87-A90 VanDerWaalsContact O-N 3.17Å; W87-G91 PolarHBondContact O-N 2.87Å; W87-A92 HydrophobicContact CB-CB 4.15Å; W87-A92 HydrophobicContact CE3-CB 3.96Å; W87-A92 PolarHBondContact O-N 3.4Å; W87-V95 HydrophobicContact CD2-CG2 3.81Å; W87-V95 HydrophobicContact CE3-CG2 4.41Å; W87-V95 HydrophobicContact CG-CG2 3.93Å; W87-V95 HydrophobicContact CZ2-CG1 3.97Å; W87-V95 HydrophobicContact CZ2-CG2 4.24Å; W87-H111 AromaticContact NE1-CG 3.72Å; W87-H111 AromaticContact NE1-ND1 3.21Å; W87-H111 PolarHBondContact NE1-ND1 3.48Å; W87-G114 WeakPolarHBondContact CB-O 3.47Å; W87-G114 PolarHBondContact N-O 3.5Å; W87-A116 HydrophobicContact CB-CB 4.34Å; W87-A116 HydrophobicContact CG-CB 4.38Å
88	G	98.4	Very high	98.4	Very high	40 Å²	40	47.9 Å²	47.9	41%	0.412	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.2	178.6	0	0	0	0	0	112.9	K86 A90 G91 G114	K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 2.71Å; G88-A90 VanDerWaalsContact C-N 3.27Å; G88-A90 PolarHBondContact O-N 3.35Å; G88-G91 WeakPolarHBondContact O-CA 3.25Å; G88-G91 PolarHBondContact O-N 2.78Å; G88-G114 PolarHBondContact N-O 3.11Å
89	D	98.3	Very high	98.4	Very high	141 Å²	141	45.4 Å²	45.4	75%	0.754	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.7	179.2	-61.6	-5.8	0	0	0	111.8	K86 W87 G91	K86-D89 HydrophobicContact CB-CB 4.1Å; K86-D89 WeakPolarHBondContact CB-OD2 3.36Å; K86-D89 PolarHBondContact O-N 2.79Å; W87-D89 VanDerWaalsContact C-N 3.33Å; W87-D89 PolarHBondContact O-N 3.39Å; D89-G91 VanDerWaalsContact C-N 3.31Å
90	A	98.1	Very high	98.3	Very high	19 Å²	19	44.2 Å²	44.2	16%	0.157	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.1	174	0	0	0	0	0	113.5	V31 A32 T75 F77 K86 W87 G88 A92	V31-A90 WeakPolarHBondContact CG2-O 3.34Å; A32-A90 HydrophobicContact CB-CB 3.76Å; T75-A90 HydrophobicContact CG2-CB 4.21Å; F77-A90 HydrophobicContact CE2-CB 4.17Å; F77-A90 HydrophobicContact CZ-CB 4.23Å; K86-A90 PolarHBondContact O-N 3.19Å; W87-A90 CarbonylContact O-C 3.52Å; W87-A90 PolarHBondContact O-N 3.35Å; W87-A90 VanDerWaalsContact O-N 3.17Å; G88-A90 VanDerWaalsContact C-N 3.27Å; G88-A90 PolarHBondContact O-N 3.35Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 3.46Å
91	G	98	Very high	98.3	Very high	25 Å²	25	39.5 Å²	39.5	26%	0.258	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	20	-176.3	0	0	0	0	0	114.3	K5 W87 G88 D89 E93	K5-G91 WeakPolarHBondContact CB-O 3.35Å; K5-G91 WeakPolarHBondContact CD-O 3.45Å; W87-G91 PolarHBondContact O-N 2.87Å; G88-G91 WeakPolarHBondContact O-CA 3.25Å; G88-G91 PolarHBondContact O-N 2.78Å; D89-G91 VanDerWaalsContact C-N 3.31Å; G91-E93 PolarHBondContact O-N 3.21Å
92	A	98.7	Very high	98.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	23%	0.229	C	C	.	.			trans	-77.4	112.2	176.6	0	0	0	0	0	110.2	V31 A32 W87 A90	V31-A92 HydrophobicContact CG2-CB 3.8Å; A32-A92 HydrophobicContact CB-CB 4.33Å; W87-A92 HydrophobicContact CB-CB 4.15Å; W87-A92 HydrophobicContact CE3-CB 3.96Å; W87-A92 PolarHBondContact O-N 3.4Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 3.46Å
93	E	98.4	Very high	98.3	Very high	71 Å²	71	40 Å²	40	33%	0.332	24%	0.239	S	C	.	.			trans	-89	-40.9	-180	-61.7	-167	148.7	0	0	111.4	V4 K5 G91 K117 R118	V4-E93 HydrophobicContact CG2-CB 4.49Å; K5-E93 PolarHBondContact O-N 3.12Å; G91-E93 PolarHBondContact O-N 3.21Å; E93-K117 HydrophobicContact CB-CD 4.15Å; E93-K117 HydrophobicContact CB-CG 4.41Å; E93-K117 HydrophobicContact CG-CD 4.24Å; E93-K117 WeakPolarHBondContact O-CA 3.38Å; E93-K117 WeakPolarHBondContact O-CB 3.44Å; E93-K117 PolarHBondContact O-N 2.88Å; E93-K117 IonicContact OE1-NZ 3.36Å; E93-K117 PolarHBondContact OE1-NZ 2.85Å; E93-K117 IonicContact OE2-NZ 3.98Å; E93-R118 PolarHBondContact O-N 3.23Å; E93-R118 VanDerWaalsContact O-N 3.11Å
94	Y	98.8	Very high	98.3	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	143.1	178.1	-75	23.4	0	0	0	108.9	V4 K5 V6 G7 R118 I120 M328 M331 A332 E335	V4-Y94 HydrophobicContact CG1-CD2 4.47Å; V4-Y94 HydrophobicContact CG2-CD1 3.64Å; V4-Y94 HydrophobicContact CG2-CD2 3.86Å; V4-Y94 HydrophobicContact CG2-CE1 3.85Å; V4-Y94 HydrophobicContact CG2-CE2 4.05Å; V4-Y94 HydrophobicContact CG2-CG 3.65Å; K5-Y94 PolarHBondContact O-N 2.85Å; K5-Y94 VanDerWaalsContact O-N 3.1Å; V6-Y94 CarbonylContact C-O 3.58Å; V6-Y94 VanDerWaalsContact CA-O 3.28Å; V6-Y94 WeakPolarHBondContact CA-O 3.21Å; G7-Y94 PolarHBondContact N-O 2.85Å; Y94-R118 CarbonylContact C-O 3.58Å; Y94-R118 WeakPolarHBondContact CA-O 3.49Å; Y94-R118 HydrophobicContact CD1-CB 3.82Å; Y94-R118 HydrophobicContact CD1-CG 4.04Å; Y94-R118 HydrophobicContact CE1-CB 3.99Å; Y94-R118 HydrophobicContact CE1-CG 3.71Å; Y94-R118 HydrophobicContact CG-CB 4.14Å; Y94-R118 PolarHBondContact OH-NE 2.78Å; Y94-I120 HydrophobicContact CD2-CD1 4Å; Y94-I120 HydrophobicContact CG-CD1 4.36Å; Y94-M328 HydrophobicContact CD2-CB 4.15Å; Y94-M328 HydrophobicContact CD2-CG 4.17Å; Y94-M331 HydrophobicContact CE2-CB 3.82Å; Y94-M331 HydrophobicContact CE2-CE 4.45Å; Y94-M331 PolarHBondContact OH-O 3.42Å; Y94-A332 HydrophobicContact CE2-CB 4.26Å; Y94-A332 VanDerWaalsContact OH-CA 3.31Å; Y94-A332 WeakPolarHBondContact OH-CA 3.45Å; Y94-A332 PolarHBondContact OH-N 2.91Å; Y94-E335 WeakPolarHBondContact OH-CG 3.29Å; Y94-E335 PolarHBondContact OH-OE1 2.97Å
95	V	98.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129	175.9	175.1	0	0	0	0	110.2	G7 N9 W87 H111 A116 R118 V119 I120	G7-V95 CarbonylContact O-C 3.59Å; G7-V95 WeakPolarHBondContact O-CA 3.13Å; N9-V95 HydrophobicContact CB-CG1 4.36Å; W87-V95 HydrophobicContact CD2-CG2 3.81Å; W87-V95 HydrophobicContact CE3-CG2 4.41Å; W87-V95 HydrophobicContact CG-CG2 3.93Å; W87-V95 HydrophobicContact CZ2-CG1 3.97Å; W87-V95 HydrophobicContact CZ2-CG2 4.24Å; V95-H111 HydrophobicContact CG2-CB 4.48Å; V95-A116 HydrophobicContact CB-CB 4.49Å; V95-A116 HydrophobicContact CG2-CB 3.56Å; V95-R118 PolarHBondContact N-O 3.09Å; V95-V119 CarbonylContact O-C 3.59Å; V95-V119 WeakPolarHBondContact O-CA 3.5Å; V95-I120 PolarHBondContact O-N 3.08Å
96	V	98.9	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	112.5	166.2	179.5	0	0	0	0	108	V6 G7 V8 N9 V18 S98 V324 M328	V6-V96 HydrophobicContact CG1-CG2 3.96Å; G7-V96 PolarHBondContact O-N 3.34Å; V8-V96 HydrophobicContact CG2-CB 4.49Å; N9-V96 PolarHBondContact N-O 2.96Å; V18-V96 HydrophobicContact CG1-CG2 4.18Å; V96-S98 PolarHBondContact O-N 3.35Å; V96-V324 HydrophobicContact CG1-CG1 3.95Å; V96-V324 HydrophobicContact CG2-CG1 3.82Å; V96-M328 HydrophobicContact CG2-CE 3.84Å; V96-M328 HydrophobicContact CG2-SD 3.47Å; V96-M328 WeakPolarHBondContact CG2-SD 3.2Å
97	E	98.9	Very high	98.3	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	99.7	174.2	169.8	42.2	-114.1	0	0	108.9	N9 T99 F102 H111 V119 I120 S122	N9-E97 PolarHBondContact ND2-OE2 3.38Å; E97-T99 VanDerWaalsContact OE1-CB 3.23Å; E97-T99 WeakPolarHBondContact OE1-CB 3.24Å; E97-T99 WeakPolarHBondContact OE1-CG2 3.47Å; E97-T99 PolarHBondContact OE1-N 3.4Å; E97-T99 PolarHBondContact OE1-OG1 2.75Å; E97-F102 HydrophobicContact CG-CB 4.04Å; E97-F102 WeakPolarHBondContact OE2-CD2 3.18Å; E97-H111 IonicContact OE2-CE1 2.67Å; E97-H111 IonicContact OE2-NE2 2.83Å; E97-H111 PolarHBondContact OE2-NE2 2.8Å; E97-H111 VanDerWaalsContact OE2-NE2 3.1Å; E97-V119 HydrophobicContact CB-CG1 3.89Å; E97-I120 PolarHBondContact N-O 3.36Å; E97-S122 PolarHBondContact O-N 2.82Å; E97-S122 PolarHBondContact O-OG 3.16Å
98	S	98.8	Very high	98.3	Very high	17 Å²	17	44.9 Å²	44.9	12%	0.119	27%	0.266	C	S	.	.			trans	-124.8	21.5	-173.6	56.5	0	0	0	0	114.7	N9 G10 V96 S122	N9-S98 CarbonylContact O-C 3.56Å; N9-S98 WeakPolarHBondContact O-CA 3.47Å; N9-S98 PolarHBondContact O-N 3Å; N9-S98 PolarHBondContact O-OG 3.41Å; G10-S98 PolarHBondContact O-OG 2.86Å; V96-S98 PolarHBondContact O-N 3.35Å; S98-S122 VanDerWaalsContact CA-OG 3.23Å; S98-S122 WeakPolarHBondContact CA-OG 3.37Å; S98-S122 WeakPolarHBondContact CB-OG 3.39Å
99	T	98.4	Very high	98.3	Very high	49 Å²	49	43.7 Å²	43.7	30%	0.301	25%	0.254	S	S	.	.	S	Bend	trans	-76.9	-27.5	175	69.8	0	0	0	0	112.4	N9 E97 V101 F102	N9-T99 HydrophobicContact CB-CG2 4.36Å; N9-T99 WeakPolarHBondContact ND2-CG2 3.11Å; N9-T99 PolarHBondContact O-N 3.24Å; E97-T99 VanDerWaalsContact OE1-CB 3.23Å; E97-T99 WeakPolarHBondContact OE1-CB 3.24Å; E97-T99 WeakPolarHBondContact OE1-CG2 3.47Å; E97-T99 PolarHBondContact OE1-N 3.4Å; E97-T99 PolarHBondContact OE1-OG1 2.75Å; T99-V101 VanDerWaalsContact C-N 3.31Å; T99-V101 VanDerWaalsContact OG1-CG2 3.26Å; T99-V101 WeakPolarHBondContact OG1-CG2 3.23Å; T99-V101 PolarHBondContact OG1-N 2.79Å; T99-V101 VanDerWaalsContact OG1-N 3.15Å; T99-F102 HydrophobicContact CG2-CD2 4.24Å; T99-F102 HydrophobicContact CG2-CE2 4.32Å; T99-F102 WeakPolarHBondContact OG1-CD2 3.3Å
100	G	96.2	Very high	98.3	Very high	51 Å²	51	37.6 Å²	37.6	53%	0.526	22%	0.223	S	C	.	.	S	Bend	trans	81.2	0.6	-173.3	0	0	0	0	0	115
101	V	96.9	Very high	98.3	Very high	86 Å²	86	36.7 Å²	36.7	52%	0.521	22%	0.215	S	C	.	.	S	Bend	trans	-109.7	-19.1	-178.5	-59.1	0	0	0	0	114.6	T99	T99-V101 VanDerWaalsContact C-N 3.31Å; T99-V101 VanDerWaalsContact OG1-CG2 3.26Å; T99-V101 WeakPolarHBondContact OG1-CG2 3.23Å; T99-V101 PolarHBondContact OG1-N 2.79Å; T99-V101 VanDerWaalsContact OG1-N 3.15Å
102	F	98.1	Very high	98.4	Very high	40 Å²	40	38.3 Å²	38.3	18%	0.175	22%	0.218	C	C	.	.			trans	-108.5	55.1	-179	-52.2	-65.3	0	0	0	112.2	P82 E97 T99 K107	P82-F102 HydrophobicContact CB-CE2 4.46Å; P82-F102 HydrophobicContact CG-CD1 4.04Å; P82-F102 HydrophobicContact CG-CD2 4.25Å; P82-F102 HydrophobicContact CG-CE1 3.79Å; P82-F102 HydrophobicContact CG-CE2 4.02Å; P82-F102 HydrophobicContact CG-CG 4.28Å; P82-F102 HydrophobicContact CG-CZ 3.79Å; E97-F102 HydrophobicContact CG-CB 4.04Å; E97-F102 WeakPolarHBondContact OE2-CD2 3.18Å; T99-F102 HydrophobicContact CG2-CD2 4.24Å; T99-F102 HydrophobicContact CG2-CE2 4.32Å; T99-F102 WeakPolarHBondContact OG1-CD2 3.3Å; F102-K107 HydrophobicContact CB-CB 3.94Å; F102-K107 HydrophobicContact CD1-CB 4.04Å; F102-K107 HydrophobicContact CD1-CD 4.33Å; F102-K107 HydrophobicContact CD1-CG 4.46Å; F102-K107 HydrophobicContact CG-CB 4.49Å
103	T	98.1	Very high	98.3	Very high	39 Å²	39	45.3 Å²	45.3	24%	0.239	25%	0.25	C	S	.	.			trans	-94.1	2.8	-170.5	60.2	0	0	0	0	115.4	I121 A123 S125	T103-I121 HydrophobicContact CG2-CG2 4.13Å; T103-A123 HydrophobicContact CG2-CB 4.08Å; T103-S125 WeakPolarHBondContact O-CA 3.45Å; T103-S125 VanDerWaalsContact O-CB 3.22Å; T103-S125 WeakPolarHBondContact O-CB 3.4Å; T103-S125 PolarHBondContact O-OG 2.74Å
104	T	98.6	Very high	98.2	Very high	34 Å²	34	42.3 Å²	42.3	21%	0.209	24%	0.239	C	C	.	.	S	Bend	trans	-101.1	157.7	172.7	62.7	0	0	0	0	110.6	E106 K107 A108 D127	T104-E106 VanDerWaalsContact C-N 3.28Å; T104-E106 PolarHBondContact O-N 3.36Å; T104-K107 PolarHBondContact O-N 3.23Å; T104-K107 WeakPolarHBondContact OG1-CB 3.4Å; T104-K107 WeakPolarHBondContact OG1-CG 3.44Å; T104-K107 PolarHBondContact OG1-N 3.15Å; T104-A108 VanDerWaalsContact O-CB 3.29Å; T104-A108 WeakPolarHBondContact O-CB 3.48Å; T104-A108 PolarHBondContact O-N 3.28Å; T104-D127 WeakPolarHBondContact CA-OD1 3.02Å
105	T	98.4	Very high	98.1	Very high	49 Å²	49	44.3 Å²	44.3	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-57.9	-42.1	-179.9	-59.2	0	0	0	0	111.2	G109 D127 A128 I146	T105-G109 WeakPolarHBondContact O-CA 3.36Å; T105-G109 PolarHBondContact O-N 3.41Å; T105-D127 PolarHBondContact N-OD1 2.84Å; T105-D127 PolarHBondContact N-OD2 2.85Å; T105-D127 VanDerWaalsContact OG1-CG 3.23Å; T105-D127 PolarHBondContact OG1-OD1 3.21Å; T105-A128 PolarHBondContact OG1-N 2.92Å; T105-I146 HydrophobicContact CG2-CB 4.41Å; T105-I146 HydrophobicContact CG2-CD1 3.86Å; T105-I146 WeakPolarHBondContact O-CD1 3.12Å
106	E	98.1	Very high	98.1	Very high	169 Å²	169	44.7 Å²	44.7	79%	0.79	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-52.4	175.2	-176.9	-170.8	177.5	0	0	112.1	T104 G109	T104-E106 VanDerWaalsContact C-N 3.28Å; T104-E106 PolarHBondContact O-N 3.36Å; E106-G109 PolarHBondContact O-N 3.38Å
107	K	98.5	Very high	98.1	Very high	108 Å²	108	49.6 Å²	49.6	47%	0.47	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-45.7	-176	-74.9	-176.7	178.7	-174.7	0	112.4	F102 T104 G109 A110	F102-K107 HydrophobicContact CB-CB 3.94Å; F102-K107 HydrophobicContact CD1-CB 4.04Å; F102-K107 HydrophobicContact CD1-CD 4.33Å; F102-K107 HydrophobicContact CD1-CG 4.46Å; F102-K107 HydrophobicContact CG-CB 4.49Å; T104-K107 PolarHBondContact O-N 3.23Å; T104-K107 WeakPolarHBondContact OG1-CB 3.4Å; T104-K107 WeakPolarHBondContact OG1-CG 3.44Å; T104-K107 PolarHBondContact OG1-N 3.15Å; K107-G109 PolarHBondContact O-N 2.98Å; K107-A110 VanDerWaalsContact O-CB 3.31Å; K107-A110 WeakPolarHBondContact O-CB 3.4Å; K107-A110 PolarHBondContact O-N 3.2Å
108	A	98.6	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-31.5	176.1	0	0	0	0	0	111.6	T104 A110 H111 V119 I121 I146	T104-A108 VanDerWaalsContact O-CB 3.29Å; T104-A108 WeakPolarHBondContact O-CB 3.48Å; T104-A108 PolarHBondContact O-N 3.28Å; A108-A110 PolarHBondContact O-N 2.75Å; A108-A110 VanDerWaalsContact O-N 3.16Å; A108-H111 PolarHBondContact O-CD2 2.87Å; A108-H111 PolarHBondContact O-N 2.78Å; A108-V119 HydrophobicContact CB-CG1 4.02Å; A108-I121 HydrophobicContact CB-CD1 3.9Å; A108-I121 HydrophobicContact CB-CG1 4.01Å; A108-I146 HydrophobicContact CB-CD1 4.47Å; A108-I146 HydrophobicContact CB-CG2 3.86Å
109	G	98.4	Very high	98.1	Very high	15 Å²	15	48.8 Å²	48.8	16%	0.155	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-17.9	178.2	0	0	0	0	0	114.4	T105 E106 K107 H111 L112 I146	T105-G109 WeakPolarHBondContact O-CA 3.36Å; T105-G109 PolarHBondContact O-N 3.41Å; E106-G109 PolarHBondContact O-N 3.38Å; K107-G109 PolarHBondContact O-N 2.98Å; G109-H111 PolarHBondContact O-N 3.47Å; G109-L112 VanDerWaalsContact O-CB 3.31Å; G109-L112 WeakPolarHBondContact O-CB 3.32Å; G109-L112 PolarHBondContact O-N 3.29Å; G109-I146 VanDerWaalsContact CA-CD1 3.43Å
110	A	98.5	Very high	98.1	Very high	12 Å²	12	46.4 Å²	46.4	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-55.9	-32.7	172.4	0	0	0	0	0	112.8	P82 S83 K107 A108 L112 Q113	P82-A110 HydrophobicContact CB-CB 3.97Å; P82-A110 HydrophobicContact CG-CB 3.64Å; S83-A110 WeakPolarHBondContact CA-O 3.49Å; K107-A110 VanDerWaalsContact O-CB 3.31Å; K107-A110 WeakPolarHBondContact O-CB 3.4Å; K107-A110 PolarHBondContact O-N 3.2Å; A108-A110 PolarHBondContact O-N 2.75Å; A108-A110 VanDerWaalsContact O-N 3.16Å; A110-L112 PolarHBondContact O-N 3.49Å; A110-Q113 WeakPolarHBondContact O-CB 3.44Å; A110-Q113 PolarHBondContact O-N 2.8Å; A110-Q113 VanDerWaalsContact O-N 3.16Å
111	H	98.8	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-26.2	176.9	-65.7	-46	0	0	0	114.1	N9 P82 W87 V95 E97 A108 G109 Q113 G114 A116 V119	N9-H111 PolarHBondContact ND2-CE1 3.11Å; N9-H111 PolarHBondContact ND2-NE2 3.15Å; P82-H111 WeakPolarHBondContact CB-CE1 3.45Å; P82-H111 WeakPolarHBondContact CB-ND1 3.24Å; P82-H111 PolarHBondContact O-ND1 2.64Å; W87-H111 AromaticContact NE1-CG 3.72Å; W87-H111 AromaticContact NE1-ND1 3.21Å; W87-H111 PolarHBondContact NE1-ND1 3.48Å; V95-H111 HydrophobicContact CG2-CB 4.48Å; E97-H111 IonicContact OE2-CE1 2.67Å; E97-H111 IonicContact OE2-NE2 2.83Å; E97-H111 PolarHBondContact OE2-NE2 2.8Å; E97-H111 VanDerWaalsContact OE2-NE2 3.1Å; A108-H111 PolarHBondContact O-CD2 2.87Å; A108-H111 PolarHBondContact O-N 2.78Å; G109-H111 PolarHBondContact O-N 3.47Å; H111-Q113 PolarHBondContact O-N 2.97Å; H111-G114 PolarHBondContact O-N 3.16Å; H111-G114 VanDerWaalsContact O-N 3.09Å; H111-A116 HydrophobicContact CB-CB 4.35Å; H111-A116 WeakPolarHBondContact O-CB 3.43Å; H111-A116 PolarHBondContact O-N 2.8Å; H111-V119 HydrophobicContact CB-CG2 3.9Å
112	L	98.5	Very high	98.3	Very high	60 Å²	60	40.7 Å²	40.7	31%	0.314	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-30.1	177.3	-54.6	178.7	0	0	0	111.2	G109 A110 G114 G115 A116 V119 K145 I146	G109-L112 VanDerWaalsContact O-CB 3.31Å; G109-L112 WeakPolarHBondContact O-CB 3.32Å; G109-L112 PolarHBondContact O-N 3.29Å; A110-L112 PolarHBondContact O-N 3.49Å; L112-G114 PolarHBondContact O-N 3.03Å; L112-G115 PolarHBondContact O-N 2.9Å; L112-G115 VanDerWaalsContact O-N 3.13Å; L112-A116 VanDerWaalsContact CD2-O 3.27Å; L112-A116 WeakPolarHBondContact CD2-O 3.44Å; L112-V119 HydrophobicContact CD2-CG2 4.07Å; L112-K145 HydrophobicContact CD1-CB 4.23Å; L112-I146 HydrophobicContact CD1-CD1 4.23Å; L112-I146 HydrophobicContact CD1-CG1 4.39Å
113	Q	97.5	Very high	98.3	Very high	148 Å²	148	40 Å²	40	69%	0.692	22%	0.22	S	C	*	.	H	α-helix	trans	-66.7	-28.2	174.4	-53.5	177.9	26.5	0	0	111.9	A110 H111 G115	A110-Q113 WeakPolarHBondContact O-CB 3.44Å; A110-Q113 PolarHBondContact O-N 2.8Å; A110-Q113 VanDerWaalsContact O-N 3.16Å; H111-Q113 PolarHBondContact O-N 2.97Å; Q113-G115 PolarHBondContact O-N 2.81Å
114	G	96.1	Very high	98.2	Very high	8 Å²	8	40.8 Å²	40.8	8%	0.082	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.3	174.5	0	0	0	0	0	114.7	I85 W87 G88 H111 L112	I85-G114 WeakPolarHBondContact O-CA 3.43Å; W87-G114 WeakPolarHBondContact CB-O 3.47Å; W87-G114 PolarHBondContact N-O 3.5Å; G88-G114 PolarHBondContact N-O 3.11Å; H111-G114 PolarHBondContact O-N 3.16Å; H111-G114 VanDerWaalsContact O-N 3.09Å; L112-G114 PolarHBondContact O-N 3.03Å
115	G	97.6	Very high	98.2	Very high	43 Å²	43	39.5 Å²	39.5	44%	0.443	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	4.9	179.6	0	0	0	0	0	115.2	L112 Q113	L112-G115 PolarHBondContact O-N 2.9Å; L112-G115 VanDerWaalsContact O-N 3.13Å; Q113-G115 PolarHBondContact O-N 2.81Å
116	A	98.5	Very high	98	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	24%	0.237	C	C	.	.			trans	-67.6	145.2	170.3	0	0	0	0	0	110.8	W87 V95 H111 L112	W87-A116 HydrophobicContact CB-CB 4.34Å; W87-A116 HydrophobicContact CG-CB 4.38Å; V95-A116 HydrophobicContact CB-CB 4.49Å; V95-A116 HydrophobicContact CG2-CB 3.56Å; H111-A116 HydrophobicContact CB-CB 4.35Å; H111-A116 WeakPolarHBondContact O-CB 3.43Å; H111-A116 PolarHBondContact O-N 2.8Å; L112-A116 VanDerWaalsContact CD2-O 3.27Å; L112-A116 WeakPolarHBondContact CD2-O 3.44Å
117	K	98.3	Very high	98	Very high	104 Å²	104	37.2 Å²	37.2	45%	0.452	22%	0.222	S	C	.	.	S	Bend	trans	-90.5	-35.8	175.7	-62.4	-178.2	179.7	169.6	0	112.4	E93 K145	E93-K117 HydrophobicContact CB-CD 4.15Å; E93-K117 HydrophobicContact CB-CG 4.41Å; E93-K117 HydrophobicContact CG-CD 4.24Å; E93-K117 WeakPolarHBondContact O-CA 3.38Å; E93-K117 WeakPolarHBondContact O-CB 3.44Å; E93-K117 PolarHBondContact O-N 2.88Å; E93-K117 IonicContact OE1-NZ 3.36Å; E93-K117 PolarHBondContact OE1-NZ 2.85Å; E93-K117 IonicContact OE2-NZ 3.98Å; K117-K145 WeakPolarHBondContact O-CD 3.31Å
118	R	98.6	Very high	98	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153	-179.4	-56.8	-164.4	-170.5	-83.5	-3.7	112.7	E93 Y94 V95 Y140 N142 L144 K145 M331 E335	E93-R118 PolarHBondContact O-N 3.23Å; E93-R118 VanDerWaalsContact O-N 3.11Å; Y94-R118 CarbonylContact C-O 3.58Å; Y94-R118 WeakPolarHBondContact CA-O 3.49Å; Y94-R118 HydrophobicContact CD1-CB 3.82Å; Y94-R118 HydrophobicContact CD1-CG 4.04Å; Y94-R118 HydrophobicContact CE1-CB 3.99Å; Y94-R118 HydrophobicContact CE1-CG 3.71Å; Y94-R118 HydrophobicContact CG-CB 4.14Å; Y94-R118 PolarHBondContact OH-NE 2.78Å; V95-R118 PolarHBondContact N-O 3.09Å; R118-Y140 WeakPolarHBondContact CD-OH 3.42Å; R118-Y140 PolarHBondContact NE-OH 2.85Å; R118-Y140 VanDerWaalsContact NE-OH 3.08Å; R118-Y140 PolarHBondContact NH1-OH 2.75Å; R118-N142 VanDerWaalsContact CZ-O 3.27Å; R118-N142 PolarHBondContact NH1-O 2.82Å; R118-N142 PolarHBondContact NH2-O 3.17Å; R118-L144 PolarHBondContact NH1-O 3.08Å; R118-K145 CarbonylContact C-O 3.55Å; R118-K145 VanDerWaalsContact CA-O 3.22Å; R118-K145 WeakPolarHBondContact CA-O 3.48Å; R118-M331 HydrophobicContact CB-CE 4.16Å; R118-M331 VanDerWaalsContact CD-CE 3.45Å; R118-M331 HydrophobicContact CG-CE 4.42Å; R118-E335 IonicContact CZ-OE1 2.94Å; R118-E335 IonicContact CZ-OE2 2.7Å; R118-E335 IonicContact NE-OE1 3.67Å; R118-E335 PolarHBondContact NE-OE1 3.01Å; R118-E335 IonicContact NE-OE2 2.83Å; R118-E335 IonicContact NH2-OE1 3.74Å; R118-E335 PolarHBondContact NH2-OE1 2.88Å; R118-E335 IonicContact NH2-OE2 3.63Å; R118-E335 PolarHBondContact NH2-OE2 2.71Å
119	V	98.9	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.2	176.3	-172.1	0	0	0	0	110.3	V95 E97 A108 H111 L112 K145 I146 V147	V95-V119 CarbonylContact O-C 3.59Å; V95-V119 WeakPolarHBondContact O-CA 3.5Å; E97-V119 HydrophobicContact CB-CG1 3.89Å; A108-V119 HydrophobicContact CB-CG1 4.02Å; H111-V119 HydrophobicContact CB-CG2 3.9Å; L112-V119 HydrophobicContact CD2-CG2 4.07Å; V119-K145 PolarHBondContact N-O 2.88Å; V119-I146 HydrophobicContact CB-CG1 4.28Å; V119-I146 HydrophobicContact CB-CG2 4.36Å; V119-I146 HydrophobicContact CG2-CG1 4.47Å; V119-I146 WeakPolarHBondContact O-CA 3.15Å; V119-V147 PolarHBondContact O-N 3.41Å
120	I	98.9	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	107.3	175.4	-56.1	83	0	0	0	107.4	Y94 V95 E97 S122 V147 N149 V324 L327 M328 M331	Y94-I120 HydrophobicContact CD2-CD1 4Å; Y94-I120 HydrophobicContact CG-CD1 4.36Å; V95-I120 PolarHBondContact O-N 3.08Å; E97-I120 PolarHBondContact N-O 3.36Å; I120-S122 PolarHBondContact O-N 2.66Å; I120-V147 WeakPolarHBondContact CA-O 3.46Å; I120-V147 HydrophobicContact CB-CG2 4.49Å; I120-V147 HydrophobicContact CG1-CG2 4.07Å; I120-V147 HydrophobicContact CG2-CG2 4.45Å; I120-N149 HydrophobicContact CG2-CB 4.27Å; I120-V324 HydrophobicContact CG2-CG1 4.32Å; I120-L327 HydrophobicContact CG2-CD2 3.97Å; I120-M328 HydrophobicContact CD1-CG 3.68Å; I120-M328 HydrophobicContact CD1-SD 4.23Å; I120-M328 HydrophobicContact CG1-CG 3.98Å; I120-M331 HydrophobicContact CD1-CE 4.32Å; I120-M331 HydrophobicContact CD1-SD 4.42Å; I120-M331 HydrophobicContact CG1-CE 4.22Å; I120-M331 HydrophobicContact CG1-SD 3.9Å
121	I	98.9	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.1	176.1	-56.1	169.6	0	0	0	108.4	T103 A108 A123 A128 I146 V147 S148 N149	T103-I121 HydrophobicContact CG2-CG2 4.13Å; A108-I121 HydrophobicContact CB-CD1 3.9Å; A108-I121 HydrophobicContact CB-CG1 4.01Å; I121-A123 HydrophobicContact CG2-CB 4.35Å; I121-A123 WeakPolarHBondContact CG2-O 3.35Å; I121-A123 PolarHBondContact O-N 3.42Å; I121-A123 VanDerWaalsContact O-N 3.07Å; I121-A128 HydrophobicContact CD1-CB 4.06Å; I121-I146 HydrophobicContact CD1-CG2 3.9Å; I121-I146 HydrophobicContact CG1-CG2 4.32Å; I121-V147 PolarHBondContact N-O 3.05Å; I121-S148 WeakPolarHBondContact O-CA 3.47Å; I121-N149 PolarHBondContact O-N 3.38Å
122	S	98.7	Very high	98	Very high	16 Å²	16	34.6 Å²	34.6	11%	0.112	21%	0.21	C	C	.	.	S	Bend	trans	-84.8	35.8	-179.2	90.5	0	0	0	0	112.7	E97 S98 I120 Y320	E97-S122 PolarHBondContact O-N 2.82Å; E97-S122 PolarHBondContact O-OG 3.16Å; S98-S122 VanDerWaalsContact CA-OG 3.23Å; S98-S122 WeakPolarHBondContact CA-OG 3.37Å; S98-S122 WeakPolarHBondContact CB-OG 3.39Å; I120-S122 PolarHBondContact O-N 2.66Å; S122-Y320 VanDerWaalsContact CA-OH 3.24Å; S122-Y320 WeakPolarHBondContact CA-OH 3.38Å; S122-Y320 PolarHBondContact O-OH 3.31Å; S122-Y320 VanDerWaalsContact O-OH 3.12Å
123	A	97.8	Very high	98	Very high	25 Å²	25	32.6 Å²	32.6	21%	0.207	20%	0.2	C	C	.	.	S	Bend	trans	-160	162.9	178.8	0	0	0	0	0	109.5	T103 I121 S125 S148 A150 Y320	T103-A123 HydrophobicContact CG2-CB 4.08Å; I121-A123 HydrophobicContact CG2-CB 4.35Å; I121-A123 WeakPolarHBondContact CG2-O 3.35Å; I121-A123 PolarHBondContact O-N 3.42Å; I121-A123 VanDerWaalsContact O-N 3.07Å; A123-S125 PolarHBondContact O-N 3.41Å; A123-S148 PolarHBondContact O-OG 2.87Å; A123-A150 CarbonylContact C-O 3.51Å; A123-A150 WeakPolarHBondContact CA-O 3.37Å; A123-Y320 PolarHBondContact N-OH 2.87Å
124	P	96.5	Very high	98.1	Very high	57 Å²	57	26.4 Å²	26.4	37%	0.37	18%	0.176	S	C	.	.			trans	-56	138.1	169.7	-24.5	34.8	0	0	0	111.8	M130	P124-M130 HydrophobicContact CB-SD 4.04Å
125	S	97.5	Very high	98.2	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	18%	0.179	C	C	.	.			trans	-106.4	148.1	173.1	-174	0	0	0	0	111.3	T103 A123 D127 A128	T103-S125 WeakPolarHBondContact O-CA 3.45Å; T103-S125 VanDerWaalsContact O-CB 3.22Å; T103-S125 WeakPolarHBondContact O-CB 3.4Å; T103-S125 PolarHBondContact O-OG 2.74Å; A123-S125 PolarHBondContact O-N 3.41Å; S125-D127 VanDerWaalsContact C-N 3.35Å; S125-D127 PolarHBondContact OG-N 3.31Å; S125-D127 PolarHBondContact OG-OD1 2.85Å; S125-D127 VanDerWaalsContact OG-OD1 3.05Å; S125-A128 WeakPolarHBondContact OG-CB 3.37Å; S125-A128 PolarHBondContact OG-N 3.41Å
126	A	95.1	Very high	98.2	Very high	83 Å²	83	25.7 Å²	25.7	69%	0.686	16%	0.161	S	C	*	.	S	Bend	trans	-69.2	-36.8	172.7	0	0	0	0	0	111.5
127	D	97.3	Very high	98.2	Very high	88 Å²	88	26.9 Å²	26.9	47%	0.471	17%	0.165	S	C	.	.	S	Bend	trans	-127.8	-24.4	-166.9	57.3	8.6	0	0	0	114.2	T104 T105 S125	T104-D127 WeakPolarHBondContact CA-OD1 3.02Å; T105-D127 PolarHBondContact N-OD1 2.84Å; T105-D127 PolarHBondContact N-OD2 2.85Å; T105-D127 VanDerWaalsContact OG1-CG 3.23Å; T105-D127 PolarHBondContact OG1-OD1 3.21Å; S125-D127 VanDerWaalsContact C-N 3.35Å; S125-D127 PolarHBondContact OG-N 3.31Å; S125-D127 PolarHBondContact OG-OD1 2.85Å; S125-D127 VanDerWaalsContact OG-OD1 3.05Å
128	A	98.2	Very high	98.2	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	18%	0.178	C	C	.	.	S	Bend	trans	-76.7	143.1	177.7	0	0	0	0	0	111.7	T105 I121 S125 M130 I146	T105-A128 PolarHBondContact OG1-N 2.92Å; I121-A128 HydrophobicContact CD1-CB 4.06Å; S125-A128 WeakPolarHBondContact OG-CB 3.37Å; S125-A128 PolarHBondContact OG-N 3.41Å; A128-M130 PolarHBondContact O-N 3.15Å; A128-I146 HydrophobicContact CB-CG2 4.29Å
129	P	98.2	Very high	98.2	Very high	51 Å²	51	35.4 Å²	35.4	33%	0.331	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-61.4	133.1	176.1	25.8	-33.9	0	0	0	110.7	F131 L144 V147 S148	P129-F131 HydrophobicContact CB-CE2 3.9Å; P129-F131 HydrophobicContact CB-CZ 4.12Å; P129-F131 HydrophobicContact CG-CE2 4.11Å; P129-L144 HydrophobicContact CG-CD1 4.01Å; P129-L144 HydrophobicContact CG-CD2 4.24Å; P129-V147 HydrophobicContact CG-CG1 4.26Å; P129-S148 PolarHBondContact O-N 3.43Å
130	M	98.7	Very high	98.2	Very high	15 Å²	15	36 Å²	36	7%	0.074	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-99.1	135.6	-179.5	-74.5	-169.9	-67.9	0	0	111.2	P124 A128 N136 S148 A150 A216 K219 V220	P124-M130 HydrophobicContact CB-SD 4.04Å; A128-M130 PolarHBondContact O-N 3.15Å; M130-N136 PolarHBondContact O-ND2 3.16Å; M130-S148 CarbonylContact C-O 3.45Å; M130-S148 WeakPolarHBondContact CA-O 3.48Å; M130-S148 WeakPolarHBondContact CG-OG 3.42Å; M130-A150 HydrophobicContact CB-CB 4.38Å; M130-A150 HydrophobicContact CG-CB 4.46Å; M130-A150 HydrophobicContact SD-CB 3.99Å; M130-A216 HydrophobicContact CE-CB 3.85Å; M130-K219 HydrophobicContact CE-CB 4.2Å; M130-K219 HydrophobicContact CE-CD 3.23Å; M130-K219 HydrophobicContact CE-CG 4.31Å; M130-V220 HydrophobicContact CB-CG1 4.3Å
131	F	98.9	Very high	98	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.035	22%	0.224	C	C	.	.			trans	-124	141.8	176.3	-61.1	-78.6	0	0	0	111.1	P129 N136 K139 Y140 L144 V147 S148 N149 L327	P129-F131 HydrophobicContact CB-CE2 3.9Å; P129-F131 HydrophobicContact CB-CZ 4.12Å; P129-F131 HydrophobicContact CG-CE2 4.11Å; F131-N136 WeakPolarHBondContact CA-OD1 3.2Å; F131-K139 HydrophobicContact CE1-CB 4.28Å; F131-Y140 HydrophobicContact CE2-CD2 4.21Å; F131-Y140 HydrophobicContact CZ-CD2 4.31Å; F131-L144 HydrophobicContact CE2-CD1 3.91Å; F131-L144 HydrophobicContact CZ-CD1 3.61Å; F131-V147 HydrophobicContact CD2-CB 3.93Å; F131-V147 HydrophobicContact CD2-CG1 4.14Å; F131-V147 HydrophobicContact CE2-CB 3.95Å; F131-V147 HydrophobicContact CE2-CG1 3.68Å; F131-S148 PolarHBondContact N-O 3.08Å; F131-N149 CarbonylContact O-C 3.56Å; F131-L327 HydrophobicContact CB-CD1 4.06Å; F131-L327 HydrophobicContact CB-CD2 4.41Å
132	V	98.9	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.			trans	-125.4	122.3	169.6	174.1	0	0	0	0	107.4	V135 N136 H137 A150 T154 A158 P159 V220	V132-V135 HydrophobicContact CB-CB 4.09Å; V132-V135 HydrophobicContact CB-CG2 4.25Å; V132-V135 HydrophobicContact CG1-CB 4.09Å; V132-V135 HydrophobicContact CG1-CG2 3.69Å; V132-V135 PolarHBondContact O-N 3.35Å; V132-N136 PolarHBondContact N-OD1 3.3Å; V132-N136 PolarHBondContact O-N 3.47Å; V132-N136 VanDerWaalsContact O-N 3.13Å; V132-N136 PolarHBondContact O-OD1 3.03Å; V132-H137 PolarHBondContact O-N 3.19Å; V132-A150 HydrophobicContact CG2-CB 4.09Å; V132-T154 HydrophobicContact CG2-CG2 4.17Å; V132-A158 HydrophobicContact CG1-CB 4.33Å; V132-P159 HydrophobicContact CG1-CG 4.41Å; V132-V220 HydrophobicContact CG2-CG1 4.19Å; V132-V220 HydrophobicContact CG2-CG2 4.39Å
133	M	98.9	Very high	97.8	Very high	18 Å²	18	46 Å²	46	9%	0.089	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	137.7	177	-63.9	-57.4	-60.3	0	0	110.7	V135 H137 I273 D326 L327 H330	M133-V135 PolarHBondContact O-N 3.16Å; M133-H137 HydrophobicContact CE-CB 4.2Å; M133-H137 WeakPolarHBondContact CE-CD2 3.23Å; M133-H137 HydrophobicContact SD-CB 3.57Å; M133-H137 VanDerWaalsContact SD-CB 3.57Å; M133-I273 HydrophobicContact CB-CD1 4.01Å; M133-D326 HydrophobicContact CE-CB 4.2Å; M133-D326 HydrophobicContact CG-CB 4.08Å; M133-L327 HydrophobicContact CG-CB 4.43Å; M133-L327 HydrophobicContact SD-CB 4.01Å; M133-L327 HydrophobicContact SD-CD1 3.98Å; M133-H330 HydrophobicContact CE-CB 4.02Å; M133-H330 HydrophobicContact SD-CB 4.42Å
134	G	98.6	Very high	97.8	Very high	19 Å²	19	46.7 Å²	46.7	20%	0.196	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	-7.7	-173.4	0	0	0	0	0	115.4	H137 L270	G134-H137 PolarHBondContact N-CE1 2.98Å; G134-H137 VanDerWaalsContact N-CE1 3.35Å; G134-H137 PolarHBondContact N-ND1 2.85Å; G134-L270 VanDerWaalsContact O-CD2 3.29Å; G134-L270 WeakPolarHBondContact O-CD2 3.35Å
135	V	98.8	Very high	97.9	Very high	23 Å²	23	48.7 Å²	48.7	14%	0.139	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-63.6	-178.7	-178.6	0	0	0	0	111.8	V132 M133 A158 P159 K162 V220 I221	V132-V135 HydrophobicContact CB-CB 4.09Å; V132-V135 HydrophobicContact CB-CG2 4.25Å; V132-V135 HydrophobicContact CG1-CB 4.09Å; V132-V135 HydrophobicContact CG1-CG2 3.69Å; V132-V135 PolarHBondContact O-N 3.35Å; M133-V135 PolarHBondContact O-N 3.16Å; V135-A158 HydrophobicContact CG1-CB 4.45Å; V135-A158 HydrophobicContact CG2-CB 4.09Å; V135-P159 HydrophobicContact CG2-CB 4.37Å; V135-P159 HydrophobicContact CG2-CG 3.97Å; V135-K162 HydrophobicContact CG1-CD 4.39Å; V135-V220 HydrophobicContact CG1-CB 4.41Å; V135-V220 HydrophobicContact CG1-CG2 4.3Å; V135-I221 HydrophobicContact CG1-CD1 3.84Å; V135-I221 HydrophobicContact CG1-CG1 3.46Å; V135-I221 VanDerWaalsContact CG1-CG1 3.46Å
136	N	98.8	Very high	97.9	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.07	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	5.8	-175.7	77.9	-39.3	0	0	0	114	M130 F131 V132 E138 K139 V220	M130-N136 PolarHBondContact O-ND2 3.16Å; F131-N136 WeakPolarHBondContact CA-OD1 3.2Å; V132-N136 PolarHBondContact N-OD1 3.3Å; V132-N136 PolarHBondContact O-N 3.47Å; V132-N136 VanDerWaalsContact O-N 3.13Å; V132-N136 PolarHBondContact O-OD1 3.03Å; N136-E138 PolarHBondContact O-N 3.08Å; N136-E138 VanDerWaalsContact O-N 3.13Å; N136-K139 HydrophobicContact CB-CD 4.23Å; N136-K139 VanDerWaalsContact O-CB 3.3Å; N136-K139 WeakPolarHBondContact O-CB 3.44Å; N136-K139 PolarHBondContact O-N 2.89Å; N136-V220 HydrophobicContact CB-CB 4.35Å; N136-V220 WeakPolarHBondContact CB-O 3.43Å
137	H	98.6	Very high	98.1	Very high	32 Å²	32	45.2 Å²	45.2	15%	0.148	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-51.8	-32.6	178.7	67.4	-62	0	0	0	113.9	V132 M133 G134 K139 Y140 H330	V132-H137 PolarHBondContact O-N 3.19Å; M133-H137 HydrophobicContact CE-CB 4.2Å; M133-H137 WeakPolarHBondContact CE-CD2 3.23Å; M133-H137 HydrophobicContact SD-CB 3.57Å; M133-H137 VanDerWaalsContact SD-CB 3.57Å; G134-H137 PolarHBondContact N-CE1 2.98Å; G134-H137 VanDerWaalsContact N-CE1 3.35Å; G134-H137 PolarHBondContact N-ND1 2.85Å; H137-K139 PolarHBondContact O-N 3.4Å; H137-K139 VanDerWaalsContact O-N 3.16Å; H137-Y140 WeakPolarHBondContact O-CB 3.06Å; H137-Y140 PolarHBondContact O-N 2.63Å; H137-H330 AromaticContact CD2-CE1 3.64Å; H137-H330 AromaticContact CD2-CG 3.97Å; H137-H330 AromaticContact CD2-ND1 3.67Å; H137-H330 AromaticContact CD2-NE2 3.94Å; H137-H330 PolarHBondContact O-NE2 2.88Å
138	E	98.3	Very high	98.2	Very high	156 Å²	156	41 Å²	41	73%	0.729	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-65.2	-15.6	175.9	-60.8	-170.6	169.7	0	0	114.6	N136 Y140	N136-E138 PolarHBondContact O-N 3.08Å; N136-E138 VanDerWaalsContact O-N 3.13Å; E138-Y140 PolarHBondContact O-N 2.71Å
139	K	98.1	Very high	98.2	Very high	129 Å²	129	40.8 Å²	40.8	56%	0.561	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-78	-4.1	172.1	-58.8	-175.3	-178.5	175.6	0	112.6	F131 N136 H137	F131-K139 HydrophobicContact CE1-CB 4.28Å; N136-K139 HydrophobicContact CB-CD 4.23Å; N136-K139 VanDerWaalsContact O-CB 3.3Å; N136-K139 WeakPolarHBondContact O-CB 3.44Å; N136-K139 PolarHBondContact O-N 2.89Å; H137-K139 PolarHBondContact O-N 3.4Å; H137-K139 VanDerWaalsContact O-N 3.16Å
140	Y	98.2	Very high	98.2	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.047	20%	0.197	C	C	.	.			trans	-63.8	133	173	171.2	-100.2	0	0	0	110.2	R118 F131 H137 E138 L144 V147 M331 K334	R118-Y140 WeakPolarHBondContact CD-OH 3.42Å; R118-Y140 PolarHBondContact NE-OH 2.85Å; R118-Y140 VanDerWaalsContact NE-OH 3.08Å; R118-Y140 PolarHBondContact NH1-OH 2.75Å; F131-Y140 HydrophobicContact CE2-CD2 4.21Å; F131-Y140 HydrophobicContact CZ-CD2 4.31Å; H137-Y140 WeakPolarHBondContact O-CB 3.06Å; H137-Y140 PolarHBondContact O-N 2.63Å; E138-Y140 PolarHBondContact O-N 2.71Å; Y140-L144 HydrophobicContact CD2-CB 4.44Å; Y140-L144 HydrophobicContact CD2-CD1 4.1Å; Y140-L144 HydrophobicContact CE2-CB 4Å; Y140-L144 HydrophobicContact CE2-CD1 4.47Å; Y140-V147 HydrophobicContact CD2-CG1 4.28Å; Y140-V147 HydrophobicContact CE2-CG1 4.16Å; Y140-M331 HydrophobicContact CD1-CB 4.4Å; Y140-M331 HydrophobicContact CD1-CG 4.01Å; Y140-M331 HydrophobicContact CD2-CG 3.94Å; Y140-M331 HydrophobicContact CE1-CB 3.79Å; Y140-M331 HydrophobicContact CE1-CG 3.75Å; Y140-M331 HydrophobicContact CE2-CB 4.4Å; Y140-M331 HydrophobicContact CE2-CE 3.74Å; Y140-M331 HydrophobicContact CE2-CG 3.68Å; Y140-M331 HydrophobicContact CE2-SD 4.24Å; Y140-M331 HydrophobicContact CG-CG 4.09Å; Y140-K334 HydrophobicContact CD1-CB 4.21Å; Y140-K334 HydrophobicContact CD1-CG 4.18Å; Y140-K334 HydrophobicContact CE1-CB 3.99Å; Y140-K334 HydrophobicContact CE1-CG 4.42Å
141	D	94.7	Very high	98.2	Very high	67 Å²	67	38.3 Å²	38.3	36%	0.358	20%	0.199	S	C	.	.			trans	-120	150.8	169.8	74.9	80.2	0	0	0	110.8	S143 L144	D141-S143 PolarHBondContact O-N 2.66Å; D141-S143 VanDerWaalsContact O-N 3.16Å; D141-S143 WeakPolarHBondContact OD1-CA 3.31Å; D141-S143 WeakPolarHBondContact OD1-CB 3.27Å; D141-S143 PolarHBondContact OD1-N 3.3Å; D141-S143 PolarHBondContact OD1-OG 2.99Å; D141-L144 WeakPolarHBondContact O-CB 3.2Å; D141-L144 PolarHBondContact O-N 2.75Å; D141-L144 VanDerWaalsContact O-N 3.14Å; D141-L144 PolarHBondContact OD1-N 3.49Å; D141-L144 VanDerWaalsContact OD2-CG 3.32Å; D141-L144 WeakPolarHBondContact OD2-CG 3.22Å
142	N	95.6	Very high	98.2	Very high	78 Å²	78	39.1 Å²	39.1	42%	0.417	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2.3	-174.2	71.5	8.8	0	0	0	113.8	R118 L144 K334	R118-N142 VanDerWaalsContact CZ-O 3.27Å; R118-N142 PolarHBondContact NH1-O 2.82Å; R118-N142 PolarHBondContact NH2-O 3.17Å; N142-L144 VanDerWaalsContact C-N 3.32Å; N142-K334 WeakPolarHBondContact CB-O 3.47Å; N142-K334 PolarHBondContact ND2-O 2.89Å; N142-K334 VanDerWaalsContact ND2-O 3.15Å
143	S	97.2	Very high	98.2	Very high	81 Å²	81	39.4 Å²	39.4	57%	0.566	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.6	169.6	85.9	0	0	0	0	111.6	D141 K145	D141-S143 PolarHBondContact O-N 2.66Å; D141-S143 VanDerWaalsContact O-N 3.16Å; D141-S143 WeakPolarHBondContact OD1-CA 3.31Å; D141-S143 WeakPolarHBondContact OD1-CB 3.27Å; D141-S143 PolarHBondContact OD1-N 3.3Å; D141-S143 PolarHBondContact OD1-OG 2.99Å; S143-K145 PolarHBondContact O-N 2.86Å; S143-K145 VanDerWaalsContact O-N 3.15Å
144	L	98.1	Very high	98.2	Very high	39 Å²	39	38.6 Å²	38.6	20%	0.204	20%	0.203	C	C	.	.			trans	-70.4	108	-179.4	-57	178	0	0	0	111.9	R118 P129 F131 Y140 D141 N142 V147	R118-L144 PolarHBondContact NH1-O 3.08Å; P129-L144 HydrophobicContact CG-CD1 4.01Å; P129-L144 HydrophobicContact CG-CD2 4.24Å; F131-L144 HydrophobicContact CE2-CD1 3.91Å; F131-L144 HydrophobicContact CZ-CD1 3.61Å; Y140-L144 HydrophobicContact CD2-CB 4.44Å; Y140-L144 HydrophobicContact CD2-CD1 4.1Å; Y140-L144 HydrophobicContact CE2-CB 4Å; Y140-L144 HydrophobicContact CE2-CD1 4.47Å; D141-L144 WeakPolarHBondContact O-CB 3.2Å; D141-L144 PolarHBondContact O-N 2.75Å; D141-L144 VanDerWaalsContact O-N 3.14Å; D141-L144 PolarHBondContact OD1-N 3.49Å; D141-L144 VanDerWaalsContact OD2-CG 3.32Å; D141-L144 WeakPolarHBondContact OD2-CG 3.22Å; N142-L144 VanDerWaalsContact C-N 3.32Å; L144-V147 HydrophobicContact CB-CG1 3.92Å; L144-V147 HydrophobicContact CD1-CG1 4.36Å
145	K	98.4	Very high	98.2	Very high	99 Å²	99	37.8 Å²	37.8	43%	0.43	19%	0.194	S	C	.	.			trans	-82.8	-28.6	178	-56.4	-57.5	176.6	-173	0	113.2	L112 K117 R118 V119 S143	L112-K145 HydrophobicContact CD1-CB 4.23Å; K117-K145 WeakPolarHBondContact O-CD 3.31Å; R118-K145 CarbonylContact C-O 3.55Å; R118-K145 VanDerWaalsContact CA-O 3.22Å; R118-K145 WeakPolarHBondContact CA-O 3.48Å; V119-K145 PolarHBondContact N-O 2.88Å; S143-K145 PolarHBondContact O-N 2.86Å; S143-K145 VanDerWaalsContact O-N 3.15Å
146	I	98.8	Very high	98.2	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.082	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.8	-175.5	-54.3	175.9	0	0	0	108	T105 A108 G109 L112 V119 I121 A128	T105-I146 HydrophobicContact CG2-CB 4.41Å; T105-I146 HydrophobicContact CG2-CD1 3.86Å; T105-I146 WeakPolarHBondContact O-CD1 3.12Å; A108-I146 HydrophobicContact CB-CD1 4.47Å; A108-I146 HydrophobicContact CB-CG2 3.86Å; G109-I146 VanDerWaalsContact CA-CD1 3.43Å; L112-I146 HydrophobicContact CD1-CD1 4.23Å; L112-I146 HydrophobicContact CD1-CG1 4.39Å; V119-I146 HydrophobicContact CB-CG1 4.28Å; V119-I146 HydrophobicContact CB-CG2 4.36Å; V119-I146 HydrophobicContact CG2-CG1 4.47Å; V119-I146 WeakPolarHBondContact O-CA 3.15Å; I121-I146 HydrophobicContact CD1-CG2 3.9Å; I121-I146 HydrophobicContact CG1-CG2 4.32Å; A128-I146 HydrophobicContact CB-CG2 4.29Å
147	V	98.8	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	163.6	-179	-55.4	0	0	0	0	110.1	V119 I120 I121 P129 F131 Y140 L144 L327 M331	V119-V147 PolarHBondContact O-N 3.41Å; I120-V147 WeakPolarHBondContact CA-O 3.46Å; I120-V147 HydrophobicContact CB-CG2 4.49Å; I120-V147 HydrophobicContact CG1-CG2 4.07Å; I120-V147 HydrophobicContact CG2-CG2 4.45Å; I121-V147 PolarHBondContact N-O 3.05Å; P129-V147 HydrophobicContact CG-CG1 4.26Å; F131-V147 HydrophobicContact CD2-CB 3.93Å; F131-V147 HydrophobicContact CD2-CG1 4.14Å; F131-V147 HydrophobicContact CE2-CB 3.95Å; F131-V147 HydrophobicContact CE2-CG1 3.68Å; Y140-V147 HydrophobicContact CD2-CG1 4.28Å; Y140-V147 HydrophobicContact CE2-CG1 4.16Å; L144-V147 HydrophobicContact CB-CG1 3.92Å; L144-V147 HydrophobicContact CD1-CG1 4.36Å; V147-L327 HydrophobicContact CG2-CD2 4.33Å; V147-M331 HydrophobicContact CG1-CE 4.44Å; V147-M331 HydrophobicContact CG2-CE 3.79Å; V147-M331 HydrophobicContact CG2-SD 3.73Å
148	S	98.8	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	174.3	161.9	0	0	0	0	110.4	I121 A123 P129 M130 F131 A150	I121-S148 WeakPolarHBondContact O-CA 3.47Å; A123-S148 PolarHBondContact O-OG 2.87Å; P129-S148 PolarHBondContact O-N 3.43Å; M130-S148 CarbonylContact C-O 3.45Å; M130-S148 WeakPolarHBondContact CA-O 3.48Å; M130-S148 WeakPolarHBondContact CG-OG 3.42Å; F131-S148 PolarHBondContact N-O 3.08Å; S148-A150 PolarHBondContact O-N 2.74Å; S148-A150 PolarHBondContact OG-N 3.09Å
149	N	98.8	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.			trans	-84.5	22.1	172.2	-167	49.4	0	0	0	112.3	I120 I121 F131 N155 Y320 V324 L327	I120-N149 HydrophobicContact CG2-CB 4.27Å; I121-N149 PolarHBondContact O-N 3.38Å; F131-N149 CarbonylContact O-C 3.56Å; N149-N155 PolarHBondContact O-ND2 3.13Å; N149-Y320 HydrophobicContact CB-CE2 4.48Å; N149-Y320 WeakPolarHBondContact O-CE2 3.42Å; N149-V324 HydrophobicContact CB-CG2 4.23Å; N149-V324 WeakPolarHBondContact ND2-CG2 3.49Å; N149-V324 PolarHBondContact ND2-N 2.81Å; N149-L327 HydrophobicContact CB-CD2 3.93Å
150	A	98.6	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.			trans	53.7	-148.2	-174.1	0	0	0	0	0	112.7	A123 M130 V132 S148 T154 Y320	A123-A150 CarbonylContact C-O 3.51Å; A123-A150 WeakPolarHBondContact CA-O 3.37Å; M130-A150 HydrophobicContact CB-CB 4.38Å; M130-A150 HydrophobicContact CG-CB 4.46Å; M130-A150 HydrophobicContact SD-CB 3.99Å; V132-A150 HydrophobicContact CG2-CB 4.09Å; S148-A150 PolarHBondContact O-N 2.74Å; S148-A150 PolarHBondContact OG-N 3.09Å; A150-T154 HydrophobicContact CB-CG2 4.03Å; A150-Y320 PolarHBondContact O-OH 2.93Å
151	S	98.7	Very high	98.3	Very high	15 Å²	15	20.4 Å²	20.4	11%	0.105	11%	0.113	C	C	.	.			trans	-108.7	164.7	175.1	69.2	0	0	0	0	112.1	T153 T154 N155 Y320	S151-T153 VanDerWaalsContact C-N 3.33Å; S151-T153 PolarHBondContact O-N 2.71Å; S151-T154 PolarHBondContact O-N 3.15Å; S151-T154 WeakPolarHBondContact OG-CB 3.48Å; S151-T154 PolarHBondContact OG-N 3.48Å; S151-T154 PolarHBondContact OG-OG1 3.06Å; S151-N155 PolarHBondContact O-N 2.88Å; S151-N155 PolarHBondContact O-ND2 3.46Å; S151-Y320 VanDerWaalsContact C-CE2 3.5Å
152	C	98.5	Very high	98.5	Very high	25 Å²	25	20.1 Å²	20.1	17%	0.169	11%	0.109	C	C	.	.	H	α-helix	trans	-52.8	-48.6	168.6	50.5	0	0	0	0	112	T154 N155 C156 H179 Y314 N316 Y320	C152-T154 PolarHBondContact O-N 3.1Å; C152-N155 PolarHBondContact O-N 3.07Å; C152-C156 PolarHBondContact O-N 2.89Å; C152-H179 PolarHBondContact SG-NE2 3.49Å; C152-Y314 HydrophobicContact CB-CD2 4.15Å; C152-Y314 HydrophobicContact CB-CE2 3.88Å; C152-N316 HydrophobicContact CB-CB 3.91Å; C152-N316 WeakPolarHBondContact CB-O 3.42Å; C152-Y320 HydrophobicContact CB-CD2 4.19Å; C152-Y320 HydrophobicContact CB-CG 4.3Å
153	T	98.8	Very high	98.7	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-38.4	179	-47.8	0	0	0	0	112.5	S151 C156 L157 M175 T177 A213 V243 Y314	S151-T153 VanDerWaalsContact C-N 3.33Å; S151-T153 PolarHBondContact O-N 2.71Å; T153-C156 PolarHBondContact O-N 2.82Å; T153-L157 WeakPolarHBondContact O-CB 3.19Å; T153-L157 PolarHBondContact O-N 3.4Å; T153-M175 HydrophobicContact CG2-CE 4.36Å; T153-M175 HydrophobicContact CG2-SD 3.58Å; T153-M175 VanDerWaalsContact CG2-SD 3.58Å; T153-T177 HydrophobicContact CG2-CG2 3.9Å; T153-A213 HydrophobicContact CG2-CB 3.84Å; T153-V243 HydrophobicContact CG2-CG2 4Å; T153-Y314 PolarHBondContact OG1-OH 3.15Å
154	T	98.9	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67	-38.9	175.2	-53.4	0	0	0	0	111.3	V132 A150 S151 C152 C156 L157 A158 A213 A216 V217	V132-T154 HydrophobicContact CG2-CG2 4.17Å; A150-T154 HydrophobicContact CB-CG2 4.03Å; S151-T154 PolarHBondContact O-N 3.15Å; S151-T154 WeakPolarHBondContact OG-CB 3.48Å; S151-T154 PolarHBondContact OG-N 3.48Å; S151-T154 PolarHBondContact OG-OG1 3.06Å; C152-T154 PolarHBondContact O-N 3.1Å; T154-C156 VanDerWaalsContact C-N 3.27Å; T154-C156 PolarHBondContact O-N 3.09Å; T154-L157 PolarHBondContact O-N 3.16Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 3.29Å; T154-A213 WeakPolarHBondContact OG1-CA 3.34Å; T154-A213 PolarHBondContact OG1-O 3.28Å; T154-A216 HydrophobicContact CG2-CB 4.16Å; T154-V217 HydrophobicContact CG2-CG2 4.31Å
155	N	98.9	Very high	98.8	Very high	2 Å²	2	12 Å²	12	1%	0.011	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-31	174.2	-84.2	-92.9	0	0	0	112.1	N149 S151 C152 P159 S292	N149-N155 PolarHBondContact O-ND2 3.13Å; S151-N155 PolarHBondContact O-N 2.88Å; S151-N155 PolarHBondContact O-ND2 3.46Å; C152-N155 PolarHBondContact O-N 3.07Å; N155-P159 WeakPolarHBondContact O-CD 3.36Å; N155-P159 VanDerWaalsContact O-CG 3.23Å; N155-P159 WeakPolarHBondContact O-CG 3.22Å; N155-S292 VanDerWaalsContact O-CB 3.28Å; N155-S292 WeakPolarHBondContact O-CB 3.24Å
156	C	98.9	Very high	98.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-73.8	-50.2	172.4	178.1	0	0	0	0	112.5	C152 T153 T154 V243 S292 S293 Y314	C152-C156 PolarHBondContact O-N 2.89Å; T153-C156 PolarHBondContact O-N 2.82Å; T154-C156 VanDerWaalsContact C-N 3.27Å; T154-C156 PolarHBondContact O-N 3.09Å; C156-V243 HydrophobicContact CB-CG2 4.08Å; C156-S292 WeakPolarHBondContact CA-O 3.39Å; C156-S292 WeakPolarHBondContact CB-O 3.37Å; C156-S293 VanDerWaalsContact O-CB 3.24Å; C156-S293 WeakPolarHBondContact O-CB 3.46Å; C156-S293 PolarHBondContact O-OG 2.87Å; C156-Y314 HydrophobicContact CB-CD1 3.61Å; C156-Y314 HydrophobicContact CB-CD2 4.14Å; C156-Y314 HydrophobicContact CB-CE1 4.14Å; C156-Y314 HydrophobicContact CB-CG 3.61Å; C156-Y314 WeakPolarHBondContact SG-CD1 3.49Å
157	L	98.9	Very high	98.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-74	-39.3	-172.5	177.4	62.6	0	0	0	113.2	T153 T154 L160 A161 M175 A214 V217 V243 L245	T153-L157 WeakPolarHBondContact O-CB 3.19Å; T153-L157 PolarHBondContact O-N 3.4Å; T154-L157 PolarHBondContact O-N 3.16Å; L157-L160 PolarHBondContact O-N 3.02Å; L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.23Å; L157-A161 PolarHBondContact O-N 3.18Å; L157-M175 HydrophobicContact CD2-CB 4.15Å; L157-M175 HydrophobicContact CD2-CG 3.97Å; L157-M175 HydrophobicContact CD2-SD 4.06Å; L157-A214 HydrophobicContact CD2-CB 3.91Å; L157-V217 HydrophobicContact CB-CG2 4.26Å; L157-V217 HydrophobicContact CD2-CG2 3.63Å; L157-V217 HydrophobicContact CG-CG2 3.83Å; L157-V243 HydrophobicContact CD1-CG1 4Å; L157-L245 HydrophobicContact CD1-CB 4.1Å; L157-L245 HydrophobicContact CD1-CD1 4.09Å; L157-L245 HydrophobicContact CD1-CD2 3.88Å; L157-L245 HydrophobicContact CD1-CG 4.24Å
158	A	98.9	Very high	98.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-43.4	-170.7	0	0	0	0	0	114.2	V132 V135 T154 L160 A161 K162 V217 V220 I221	V132-A158 HydrophobicContact CG1-CB 4.33Å; V135-A158 HydrophobicContact CG1-CB 4.45Å; V135-A158 HydrophobicContact CG2-CB 4.09Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 3.29Å; A158-L160 PolarHBondContact O-N 3.2Å; A158-A161 PolarHBondContact O-N 3.12Å; A158-K162 WeakPolarHBondContact O-CB 3.4Å; A158-K162 PolarHBondContact O-N 2.97Å; A158-V217 HydrophobicContact CB-CG1 4.31Å; A158-V217 HydrophobicContact CB-CG2 4.29Å; A158-V220 HydrophobicContact CB-CG2 3.97Å; A158-I221 HydrophobicContact CB-CD1 4.44Å; A158-I221 WeakPolarHBondContact O-CD1 3.32Å
159	P	98.9	Very high	98.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61	-43.2	175.2	-23.8	34.8	0	0	0	112.6	V132 V135 N155 K162 V163 L270 I273 L274	V132-P159 HydrophobicContact CG1-CG 4.41Å; V135-P159 HydrophobicContact CG2-CB 4.37Å; V135-P159 HydrophobicContact CG2-CG 3.97Å; N155-P159 WeakPolarHBondContact O-CD 3.36Å; N155-P159 VanDerWaalsContact O-CG 3.23Å; N155-P159 WeakPolarHBondContact O-CG 3.22Å; P159-K162 PolarHBondContact O-N 3.03Å; P159-V163 WeakPolarHBondContact O-CG2 3.48Å; P159-V163 PolarHBondContact O-N 3.34Å; P159-V163 VanDerWaalsContact O-N 3.17Å; P159-L270 HydrophobicContact CB-CD1 4.22Å; P159-I273 HydrophobicContact CB-CG2 4.3Å; P159-I273 HydrophobicContact CG-CG2 3.91Å; P159-L274 HydrophobicContact CB-CB 4.44Å
160	L	98.9	Very high	98.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-50.6	176.1	178.3	63.1	0	0	0	110.9	L157 A158 K162 V163 I164 V262 F295 L310	L157-L160 PolarHBondContact O-N 3.02Å; A158-L160 PolarHBondContact O-N 3.2Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.09Å; L160-V163 PolarHBondContact O-N 3.45Å; L160-I164 HydrophobicContact CD1-CD1 4.5Å; L160-I164 HydrophobicContact CD1-CG1 4.12Å; L160-I164 HydrophobicContact CG-CG1 4.43Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 2.89Å; L160-V262 HydrophobicContact CD1-CG1 4.44Å; L160-V262 HydrophobicContact CD1-CG2 4.07Å; L160-F295 HydrophobicContact CD1-CD2 3.96Å; L160-F295 HydrophobicContact CD2-CD2 4.47Å; L160-L310 HydrophobicContact CD2-CB 4.16Å
161	A	98.9	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-38.3	179	0	0	0	0	0	112.1	L157 A158 I164 H165 I170 V217 L224 L228	L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.23Å; L157-A161 PolarHBondContact O-N 3.18Å; A158-A161 PolarHBondContact O-N 3.12Å; A161-I164 PolarHBondContact O-N 2.72Å; A161-H165 WeakPolarHBondContact O-CB 3.39Å; A161-H165 PolarHBondContact O-N 3.2Å; A161-I170 HydrophobicContact CB-CD1 4.26Å; A161-V217 HydrophobicContact CB-CG1 4.18Å; A161-L224 HydrophobicContact CB-CD1 4Å; A161-L228 HydrophobicContact CB-CD1 4.21Å
162	K	98.9	Very high	98.9	Very high	61 Å²	61	21.9 Å²	21.9	27%	0.265	12%	0.116	S	C	.	.	H	α-helix	trans	-58.2	-53.3	173.8	175.7	168.7	173.1	46.9	0	111.3	V135 A158 P159 L160 I164 H165 D166 I221	V135-K162 HydrophobicContact CG1-CD 4.39Å; A158-K162 WeakPolarHBondContact O-CB 3.4Å; A158-K162 PolarHBondContact O-N 2.97Å; P159-K162 PolarHBondContact O-N 3.03Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.09Å; K162-I164 VanDerWaalsContact C-N 3.33Å; K162-I164 PolarHBondContact O-N 3.1Å; K162-H165 PolarHBondContact O-N 3.41Å; K162-D166 WeakPolarHBondContact CG-OD2 3.39Å; K162-D166 IonicContact NZ-OD1 3.35Å; K162-D166 IonicContact NZ-OD2 3.3Å; K162-D166 PolarHBondContact NZ-OD2 3.02Å; K162-D166 WeakPolarHBondContact O-CB 3.39Å; K162-D166 PolarHBondContact O-N 3.04Å; K162-I221 HydrophobicContact CB-CD1 3.8Å
163	V	98.9	Very high	98.9	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.048	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-45.3	-179.1	174.3	0	0	0	0	111.3	P159 L160 N167 V261 V262 A265 L270 L274	P159-V163 WeakPolarHBondContact O-CG2 3.48Å; P159-V163 PolarHBondContact O-N 3.34Å; P159-V163 VanDerWaalsContact O-N 3.17Å; L160-V163 PolarHBondContact O-N 3.45Å; V163-N167 PolarHBondContact O-N 3.1Å; V163-N167 PolarHBondContact O-ND2 2.66Å; V163-V261 HydrophobicContact CG1-CB 4.48Å; V163-V261 HydrophobicContact CG1-CG2 4.15Å; V163-V262 HydrophobicContact CG1-CG2 4.15Å; V163-A265 HydrophobicContact CB-CB 4.45Å; V163-A265 HydrophobicContact CG1-CB 4.06Å; V163-A265 HydrophobicContact CG2-CB 3.47Å; V163-A265 VanDerWaalsContact CG2-CB 3.47Å; V163-L270 HydrophobicContact CG2-CD1 3.57Å; V163-L274 HydrophobicContact CG2-CD2 3.89Å
164	I	98.9	Very high	98.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-41.8	179.9	-60.2	-59.9	0	0	0	111.2	L160 A161 K162 F168 G169 I170 L249 I258 V262 L310	L160-I164 HydrophobicContact CD1-CD1 4.5Å; L160-I164 HydrophobicContact CD1-CG1 4.12Å; L160-I164 HydrophobicContact CG-CG1 4.43Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 2.89Å; A161-I164 PolarHBondContact O-N 2.72Å; K162-I164 VanDerWaalsContact C-N 3.33Å; K162-I164 PolarHBondContact O-N 3.1Å; I164-F168 HydrophobicContact CD1-CD2 4.47Å; I164-F168 HydrophobicContact CG2-CD2 4.41Å; I164-F168 PolarHBondContact O-N 2.88Å; I164-G169 PolarHBondContact O-N 3.36Å; I164-I170 HydrophobicContact CB-CD1 4.24Å; I164-I170 HydrophobicContact CG2-CD1 4.08Å; I164-I170 HydrophobicContact CG2-CG1 3.9Å; I164-L249 HydrophobicContact CG2-CD2 3.51Å; I164-I258 HydrophobicContact CD1-CG2 3.65Å; I164-V262 HydrophobicContact CD1-CG2 4Å; I164-L310 HydrophobicContact CD1-CD1 3.66Å; I164-L310 HydrophobicContact CG1-CD1 3.61Å; I164-L310 HydrophobicContact CG2-CD1 4.46Å
165	H	98.9	Very high	98.9	Very high	21 Å²	21	26.2 Å²	26.2	10%	0.097	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-49.3	178.8	-167.5	63.6	0	0	0	112.2	A161 K162 N167 G169 I170 E223 L224	A161-H165 WeakPolarHBondContact O-CB 3.39Å; A161-H165 PolarHBondContact O-N 3.2Å; K162-H165 PolarHBondContact O-N 3.41Å; H165-N167 PolarHBondContact O-N 3.21Å; H165-G169 VanDerWaalsContact O-CA 3.29Å; H165-G169 WeakPolarHBondContact O-CA 3.36Å; H165-G169 PolarHBondContact O-N 3.2Å; H165-I170 HydrophobicContact CB-CD1 4.13Å; H165-I170 HydrophobicContact CB-CG1 4.19Å; H165-I170 PolarHBondContact ND1-N 2.88Å; H165-E223 IonicContact CD2-OE2 3.65Å; H165-E223 PolarHBondContact CD2-OE2 3.16Å; H165-E223 IonicContact NE2-OE2 2.8Å; H165-E223 PolarHBondContact NE2-OE2 3.33Å; H165-L224 HydrophobicContact CB-CD1 4.34Å; H165-L224 HydrophobicContact CB-CD2 4.28Å; H165-L224 VanDerWaalsContact ND1-CD2 3.33Å; H165-L224 WeakPolarHBondContact ND1-CD2 3.48Å
166	D	98.8	Very high	98.9	Very high	86 Å²	86	28 Å²	28	46%	0.46	15%	0.149	S	C	.	.	H	α-helix	trans	-59.7	-33.8	-177.4	-67.3	-7	0	0	0	111.8	K162	K162-D166 WeakPolarHBondContact CG-OD2 3.39Å; K162-D166 IonicContact NZ-OD1 3.35Å; K162-D166 IonicContact NZ-OD2 3.3Å; K162-D166 PolarHBondContact NZ-OD2 3.02Å; K162-D166 WeakPolarHBondContact O-CB 3.39Å; K162-D166 PolarHBondContact O-N 3.04Å
167	N	98.8	Very high	98.9	Very high	67 Å²	67	28 Å²	28	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-91.9	-45.6	-176.5	-72.4	-86.4	0	0	0	113.1	V163 H165 V261	V163-N167 PolarHBondContact O-N 3.1Å; V163-N167 PolarHBondContact O-ND2 2.66Å; H165-N167 PolarHBondContact O-N 3.21Å; N167-V261 HydrophobicContact CB-CG1 4.48Å; N167-V261 HydrophobicContact CB-CG2 4.45Å
168	F	98.9	Very high	98.9	Very high	20 Å²	20	30.7 Å²	30.7	9%	0.088	17%	0.166	C	C	.	.	H	α-helix	trans	-117.3	-12	-168.3	-51.5	-63.5	0	0	0	114.2	I164 L249 E250 K251 A253 D257 I258 V261	I164-F168 HydrophobicContact CD1-CD2 4.47Å; I164-F168 HydrophobicContact CG2-CD2 4.41Å; I164-F168 PolarHBondContact O-N 2.88Å; F168-L249 HydrophobicContact CB-CB 4.32Å; F168-L249 HydrophobicContact CB-CD1 4.08Å; F168-L249 HydrophobicContact CB-CD2 4.27Å; F168-L249 HydrophobicContact CB-CG 4.46Å; F168-L249 HydrophobicContact CG-CD1 4.36Å; F168-E250 PolarHBondContact O-N 2.91Å; F168-K251 PolarHBondContact O-N 2.93Å; F168-A253 HydrophobicContact CD1-CB 3.64Å; F168-A253 HydrophobicContact CD2-CB 4.45Å; F168-A253 HydrophobicContact CE1-CB 3.58Å; F168-A253 HydrophobicContact CE2-CB 4.39Å; F168-A253 HydrophobicContact CG-CB 4.09Å; F168-A253 HydrophobicContact CZ-CB 3.98Å; F168-D257 HydrophobicContact CZ-CB 4.42Å; F168-I258 HydrophobicContact CD2-CG1 4.41Å; F168-I258 HydrophobicContact CE2-CB 4.39Å; F168-I258 HydrophobicContact CE2-CG1 3.84Å; F168-I258 HydrophobicContact CZ-CG1 4.21Å; F168-V261 HydrophobicContact CE2-CG2 3.48Å; F168-V261 VanDerWaalsContact CE2-CG2 3.48Å; F168-V261 HydrophobicContact CZ-CG1 4.11Å; F168-V261 HydrophobicContact CZ-CG2 3.78Å
169	G	98.8	Very high	98.9	Very high	8 Å²	8	31 Å²	31	8%	0.082	17%	0.167	C	C	.	.			trans	69.1	132.8	-170.5	0	0	0	0	0	111.3	I164 H165 L249 E250	I164-G169 PolarHBondContact O-N 3.36Å; H165-G169 VanDerWaalsContact O-CA 3.29Å; H165-G169 WeakPolarHBondContact O-CA 3.36Å; H165-G169 PolarHBondContact O-N 3.2Å; G169-L249 CarbonylContact O-C 3.57Å; G169-L249 VanDerWaalsContact O-CA 3.24Å; G169-L249 WeakPolarHBondContact O-CA 3.23Å; G169-E250 PolarHBondContact O-N 2.99Å
170	I	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120	172.1	-63.2	173.4	0	0	0	106.4	A161 I164 H165 L224 K227 L228 C247	A161-I170 HydrophobicContact CB-CD1 4.26Å; I164-I170 HydrophobicContact CB-CD1 4.24Å; I164-I170 HydrophobicContact CG2-CD1 4.08Å; I164-I170 HydrophobicContact CG2-CG1 3.9Å; H165-I170 HydrophobicContact CB-CD1 4.13Å; H165-I170 HydrophobicContact CB-CG1 4.19Å; H165-I170 PolarHBondContact ND1-N 2.88Å; I170-L224 HydrophobicContact CB-CD2 3.81Å; I170-L224 HydrophobicContact CD1-CD1 4.39Å; I170-L224 HydrophobicContact CD1-CD2 4.27Å; I170-L224 HydrophobicContact CG2-CD2 4.26Å; I170-K227 WeakPolarHBondContact O-CD 3.32Å; I170-K227 PolarHBondContact O-NZ 3.09Å; I170-L228 HydrophobicContact CG2-CD2 4.25Å; I170-C247 HydrophobicContact CG2-CB 4.41Å
171	V	98.8	Very high	98.8	Very high	61 Å²	61	32.5 Å²	32.5	37%	0.37	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-52.9	174.4	178.9	0	0	0	0	109	K227 R248 E250	V171-K227 WeakPolarHBondContact O-CD 3.43Å; V171-R248 HydrophobicContact CB-CB 4.27Å; V171-R248 PolarHBondContact N-O 3.15Å; V171-E250 HydrophobicContact CG2-CB 3.97Å
172	E	98.8	Very high	98.8	Very high	95 Å²	95	34.4 Å²	34.4	44%	0.444	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	157	178.4	59.7	-171.6	166	0	0	110.1	K227 C247 R248	E172-K227 CarbonylContact C-O 3.55Å; E172-K227 WeakPolarHBondContact CA-O 3.39Å; E172-C247 WeakPolarHBondContact O-CA 3.43Å; E172-R248 HydrophobicContact CG-CB 4.14Å; E172-R248 HydrophobicContact CG-CG 4.44Å; E172-R248 PolarHBondContact O-N 3.45Å; E172-R248 VanDerWaalsContact OE1-CD 3.29Å; E172-R248 WeakPolarHBondContact OE1-CD 3.49Å; E172-R248 IonicContact OE1-CZ 3.22Å; E172-R248 IonicContact OE1-NE 2.79Å; E172-R248 IonicContact OE1-NH1 3.34Å; E172-R248 PolarHBondContact OE1-NH1 2.92Å
173	G	98.8	Very high	98.7	Very high	9 Å²	9	36.1 Å²	36.1	9%	0.093	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	149	176.5	0	0	0	0	0	114	K227 L228 T229 T246	G173-K227 PolarHBondContact N-O 3.15Å; G173-L228 WeakPolarHBondContact O-CA 3.3Å; G173-T229 PolarHBondContact O-N 2.67Å; G173-T246 CarbonylContact C-O 3.43Å; G173-T246 WeakPolarHBondContact CA-O 3.46Å
174	L	98.8	Very high	98.6	Very high	110 Å²	110	39.7 Å²	39.7	58%	0.576	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119	131.2	175.4	-75.7	171.2	0	0	0	109.5	T229 T246	L174-T229 WeakPolarHBondContact CA-O 3.47Å; L174-T229 HydrophobicContact CD2-CG2 3.51Å; L174-T246 PolarHBondContact N-O 2.9Å; L174-T246 PolarHBondContact O-N 2.8Å
175	M	98.8	Very high	98.5	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.8	179.7	-173.9	-128	62	0	0	110.8	T153 L157 T177 T211 A214 T229 G230 M231 V243 D244	T153-M175 HydrophobicContact CG2-CE 4.36Å; T153-M175 HydrophobicContact CG2-SD 3.58Å; T153-M175 VanDerWaalsContact CG2-SD 3.58Å; L157-M175 HydrophobicContact CD2-CB 4.15Å; L157-M175 HydrophobicContact CD2-CG 3.97Å; L157-M175 HydrophobicContact CD2-SD 4.06Å; M175-T177 HydrophobicContact CE-CG2 3.97Å; M175-T211 HydrophobicContact CE-CG2 4.05Å; M175-A214 HydrophobicContact CB-CB 3.94Å; M175-A214 HydrophobicContact SD-CB 4.3Å; M175-T229 PolarHBondContact N-O 2.87Å; M175-G230 CarbonylContact O-C 3.45Å; M175-G230 WeakPolarHBondContact O-CA 3.42Å; M175-M231 WeakPolarHBondContact CE-O 3.23Å; M175-M231 PolarHBondContact O-N 2.87Å; M175-V243 HydrophobicContact CG-CG1 3.78Å; M175-V243 HydrophobicContact SD-CG1 4.43Å; M175-V243 HydrophobicContact SD-CG2 4.37Å; M175-D244 CarbonylContact C-O 3.49Å; M175-D244 VanDerWaalsContact CA-O 3.29Å; M175-D244 WeakPolarHBondContact CA-O 3.26Å
176	T	98.9	Very high	98.5	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.233	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.6	157.6	-65.3	0	0	0	0	108.1	V178 M231 F233 D244	T176-V178 HydrophobicContact CG2-CG2 4.45Å; T176-M231 WeakPolarHBondContact CA-O 3.33Å; T176-M231 HydrophobicContact CG2-SD 3.85Å; T176-F233 HydrophobicContact CG2-CD2 3.65Å; T176-F233 HydrophobicContact CG2-CE2 3.96Å; T176-D244 PolarHBondContact N-O 2.95Å; T176-D244 PolarHBondContact O-N 3.05Å
177	T	98.9	Very high	98.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.4	164	-172.7	0	0	0	0	109.8	T153 M175 H179 M231 A232 F233 V242 Y314	T153-T177 HydrophobicContact CG2-CG2 3.9Å; M175-T177 HydrophobicContact CE-CG2 3.97Å; T177-H179 HydrophobicContact CG2-CB 4.3Å; T177-M231 PolarHBondContact N-O 2.7Å; T177-A232 HydrophobicContact CG2-CB 3.51Å; T177-A232 CarbonylContact O-C 3.57Å; T177-A232 VanDerWaalsContact O-CA 3.27Å; T177-A232 WeakPolarHBondContact O-CA 3.34Å; T177-F233 PolarHBondContact O-N 2.83Å; T177-V242 CarbonylContact C-O 3.52Å; T177-V242 WeakPolarHBondContact CA-O 3.21Å; T177-V242 WeakPolarHBondContact CB-O 3.37Å; T177-V242 PolarHBondContact OG1-O 3.07Å; T177-Y314 PolarHBondContact OG1-OH 3.36Å
178	V	98.9	Very high	98.4	Very high	57 Å²	57	45.6 Å²	45.6	35%	0.345	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	106.3	168.3	-176.8	0	0	0	0	105.5	T176 V235 S241 V242	T176-V178 HydrophobicContact CG2-CG2 4.45Å; V178-V235 HydrophobicContact CG1-CB 4.25Å; V178-V235 HydrophobicContact CG1-CG1 3.59Å; V178-V235 HydrophobicContact CG1-CG2 3.62Å; V178-S241 WeakPolarHBondContact O-CA 3.4Å; V178-V242 HydrophobicContact CB-CG1 3.72Å; V178-V242 HydrophobicContact CG2-CG1 4.37Å; V178-V242 PolarHBondContact N-O 2.88Å; V178-V242 PolarHBondContact O-N 3.12Å
179	H	98.9	Very high	98.4	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.028	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.4	-161.4	-164.4	-57.1	0	0	0	110.8	C152 T177 F233 R234 V235 S241 Y314	C152-H179 PolarHBondContact SG-NE2 3.49Å; T177-H179 HydrophobicContact CG2-CB 4.3Å; H179-F233 PolarHBondContact N-O 3.4Å; H179-R234 PolarHBondContact CD2-NH1 3.21Å; H179-R234 PolarHBondContact CE1-NH1 3.11Å; H179-R234 PolarHBondContact ND1-NH1 3.16Å; H179-R234 VanDerWaalsContact ND1-NH1 3.15Å; H179-R234 CarbonylContact O-C 3.55Å; H179-R234 VanDerWaalsContact O-CA 3.26Å; H179-R234 WeakPolarHBondContact O-CA 3.5Å; H179-V235 PolarHBondContact O-N 2.51Å; H179-S241 WeakPolarHBondContact CA-OG 3.45Å; H179-S241 PolarHBondContact CE1-OG 2.76Å; H179-S241 VanDerWaalsContact CG-OG 3.28Å; H179-S241 PolarHBondContact ND1-OG 3.46Å; H179-Y314 PolarHBondContact CD2-OH 3.19Å
180	A	98.8	Very high	98.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.299	C	S	.	.			trans	-56.5	159.8	171	0	0	0	0	0	112.6	T237 V240 S241	A180-T237 WeakPolarHBondContact CA-O 3.24Å; A180-T237 WeakPolarHBondContact CA-OG1 3.37Å; A180-T237 WeakPolarHBondContact CB-O 3.11Å; A180-V240 WeakPolarHBondContact CB-O 3.31Å; A180-S241 PolarHBondContact N-OG 3.27Å
181	I	98.4	Very high	98.4	Very high	31 Å²	31	55.7 Å²	55.7	16%	0.159	34%	0.337	C	S	.	.			trans	-62.5	145.9	170.9	-62.4	165.3	0	0	0	109.6	Q185 A202 L203 V235 T237	I181-Q185 HydrophobicContact CG2-CB 4.06Å; I181-A202 HydrophobicContact CD1-CB 3.63Å; I181-A202 WeakPolarHBondContact CD1-O 3.29Å; I181-A202 HydrophobicContact CG1-CB 3.94Å; I181-A202 HydrophobicContact CG2-CB 3.88Å; I181-L203 HydrophobicContact CD1-CD2 4.24Å; I181-V235 WeakPolarHBondContact CG1-O 3.46Å; I181-T237 PolarHBondContact N-O 2.95Å
182	T	98.1	Very high	98.3	Very high	41 Å²	41	54.3 Å²	54.3	25%	0.252	33%	0.33	S	S	.	.			trans	-125.6	172	174.2	76.7	0	0	0	0	110.7	T184 Q185	T182-T184 PolarHBondContact O-N 3.41Å; T182-T184 PolarHBondContact OG1-OG1 3.42Å; T182-T184 VanDerWaalsContact OG1-OG1 3.07Å; T182-Q185 PolarHBondContact O-N 3.16Å; T182-Q185 PolarHBondContact OG1-OE1 2.89Å
183	A	97.5	Very high	98.1	Very high	97 Å²	97	52.9 Å²	52.9	80%	0.802	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.7	-179	0	0	0	0	0	114.9
184	T	95.3	Very high	97.8	Very high	83 Å²	83	62.1 Å²	62.1	51%	0.509	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.6	177.9	62.8	0	0	0	0	113.1	T182 K186	T182-T184 PolarHBondContact O-N 3.41Å; T182-T184 PolarHBondContact OG1-OG1 3.42Å; T182-T184 VanDerWaalsContact OG1-OG1 3.07Å; T184-K186 PolarHBondContact O-NZ 2.72Å
185	Q	98.3	Very high	97.7	Very high	16 Å²	16	61.5 Å²	61.5	8%	0.075	38%	0.375	C	S	.	.	S	Bend	trans	-80.7	171.6	-177.5	-69.5	148.6	-100.3	0	0	111.7	I181 T182 A202 R234	I181-Q185 HydrophobicContact CG2-CB 4.06Å; T182-Q185 PolarHBondContact O-N 3.16Å; T182-Q185 PolarHBondContact OG1-OE1 2.89Å; Q185-A202 HydrophobicContact CB-CB 3.96Å; Q185-R234 VanDerWaalsContact NE2-CB 3.35Å
186	K	98.2	Very high	97.7	Very high	72 Å²	72	71.4 Å²	71.4	31%	0.313	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-114.3	146.6	-175	-56.5	-64.3	174.3	-71.8	0	111.3	T184 V188 P191 A202	T184-K186 PolarHBondContact O-NZ 2.72Å; K186-V188 VanDerWaalsContact C-N 3.35Å; K186-V188 WeakPolarHBondContact CB-O 3.39Å; K186-P191 WeakPolarHBondContact CE-O 3.39Å; K186-A202 WeakPolarHBondContact O-CB 3.49Å; K186-A202 PolarHBondContact O-N 3.43Å
187	T	98.3	Very high	97.6	Very high	113 Å²	113	77 Å²	77	69%	0.693	43%	0.429	S	S	*	.	S	Bend	trans	-63.7	-43.1	177	46.6	0	0	0	0	111.5
188	V	98.4	Very high	97.6	Very high	96 Å²	96	77.6 Å²	77.6	58%	0.582	43%	0.433	S	S	*	.	S	Bend	trans	-128.9	170.9	175.4	-63.5	0	0	0	0	109.9	K186 G190	K186-V188 VanDerWaalsContact C-N 3.35Å; K186-V188 WeakPolarHBondContact CB-O 3.39Å; V188-G190 PolarHBondContact O-N 2.9Å
189	D	98.6	Very high	97.6	Very high	86 Å²	86	75 Å²	75	46%	0.46	42%	0.417	S	S	.	.	S	Bend	trans	-54	123.4	177.7	-74.3	-3	0	0	0	111.6	G199 R200 G201	D189-G199 CarbonylContact C-O 3.57Å; D189-G199 WeakPolarHBondContact CA-O 3.43Å; D189-R200 VanDerWaalsContact OD1-CA 3.24Å; D189-R200 WeakPolarHBondContact OD1-CA 3.45Å; D189-R200 IonicContact OD1-CZ 3.39Å; D189-R200 IonicContact OD1-NE 2.92Å; D189-R200 PolarHBondContact OD1-NE 3.16Å; D189-R200 IonicContact OD1-NH2 3.46Å; D189-R200 IonicContact OD2-CZ 2.64Å; D189-R200 VanDerWaalsContact OD2-CZ 3.3Å; D189-R200 IonicContact OD2-NE 2.78Å; D189-R200 PolarHBondContact OD2-NE 2.97Å; D189-R200 IonicContact OD2-NH2 2.71Å; D189-R200 PolarHBondContact OD2-NH2 3.42Å; D189-G201 PolarHBondContact OD1-N 3.49Å
190	G	98.3	Very high	97.6	Very high	32 Å²	32	80.2 Å²	80.2	33%	0.33	44%	0.437	S	S	.	.			trans	-165.3	177.3	-177.6	0	0	0	0	0	114.6	V188 G199	V188-G190 PolarHBondContact O-N 2.9Å; G190-G199 PolarHBondContact N-O 3.34Å; G190-G199 CarbonylContact O-C 3.53Å; G190-G199 WeakPolarHBondContact O-CA 3.31Å; G190-G199 VanDerWaalsContact O-O 3.13Å
191	P	97.8	Very high	97.6	Very high	122 Å²	122	80.2 Å²	80.2	79%	0.792	44%	0.437	S	S	*	.			trans	-67.9	141.1	-174.6	-20.9	33.6	0	0	0	113.7	K186	K186-P191 WeakPolarHBondContact CE-O 3.39Å
192	S	97.3	Very high	97.6	Very high	32 Å²	32	79 Å²	79	22%	0.224	43%	0.431	C	S	.	.			trans	-140.8	30.6	177.7	-163.5	0	0	0	0	113	K194 L195	S192-K194 PolarHBondContact O-N 2.96Å; S192-K194 VanDerWaalsContact O-N 3.12Å; S192-L195 VanDerWaalsContact CB-O 3.28Å; S192-L195 WeakPolarHBondContact CB-O 3.09Å; S192-L195 PolarHBondContact O-N 3.16Å; S192-L195 PolarHBondContact OG-O 3.35Å
193	G	94.8	Very high	97.5	Very high	65 Å²	65	83.3 Å²	83.3	67%	0.67	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-117.4	-178.5	0	0	0	0	0	112.2	W196	G193-W196 VanDerWaalsContact O-CD1 3.25Å; G193-W196 PolarHBondContact O-NE1 3.09Å
194	K	92.7	Very high	97.6	Very high	203 Å²	203	85.5 Å²	85.5	88%	0.883	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.9	180	-63.1	-174.2	-179.6	-178.6	0	114	S192 W196	S192-K194 PolarHBondContact O-N 2.96Å; S192-K194 VanDerWaalsContact O-N 3.12Å; K194-W196 PolarHBondContact O-N 3.13Å
195	L	96.2	Very high	97.7	Very high	98 Å²	98	83.8 Å²	83.8	51%	0.513	43%	0.433	S	S	.	.			trans	-95.9	67.2	-177.8	-63.8	175.9	0	0	0	110.2	S192 R197 D198	S192-L195 VanDerWaalsContact CB-O 3.28Å; S192-L195 WeakPolarHBondContact CB-O 3.09Å; S192-L195 PolarHBondContact O-N 3.16Å; S192-L195 PolarHBondContact OG-O 3.35Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.14Å; L195-D198 HydrophobicContact CB-CB 4.18Å; L195-D198 PolarHBondContact O-N 2.92Å
196	W	98.3	Very high	97.8	Very high	211 Å²	211	88.5 Å²	88.5	80%	0.799	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-55.1	-40	-168.6	-60.4	-11.8	0	0	0	114	G193 K194 D198 G199	G193-W196 VanDerWaalsContact O-CD1 3.25Å; G193-W196 PolarHBondContact O-NE1 3.09Å; K194-W196 PolarHBondContact O-N 3.13Å; W196-D198 VanDerWaalsContact C-N 3.32Å; W196-D198 PolarHBondContact O-N 3.45Å; W196-G199 PolarHBondContact O-N 3.11Å
197	R	98.6	Very high	97.8	Very high	155 Å²	155	85.3 Å²	85.3	59%	0.585	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-64.7	-35.7	-179.8	-63.6	-177.4	-179.7	175.3	-0.1	112.4	L195 G199 R200 I207 P208	L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.14Å; R197-G199 PolarHBondContact O-N 2.95Å; R197-R200 WeakPolarHBondContact O-CB 3.43Å; R197-R200 WeakPolarHBondContact O-CG 3.44Å; R197-R200 PolarHBondContact O-N 3.15Å; R197-R200 VanDerWaalsContact O-N 3.11Å; R197-I207 HydrophobicContact CB-CG2 3.76Å; R197-I207 WeakPolarHBondContact O-CG2 3.44Å; R197-P208 WeakPolarHBondContact CD-O 3.1Å
198	D	97.9	Very high	97.8	Very high	14 Å²	14	81.8 Å²	81.8	8%	0.075	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-71.6	-11.1	179.8	-64.3	-10.9	0	0	0	112.9	L195 W196 R200	L195-D198 HydrophobicContact CB-CB 4.18Å; L195-D198 PolarHBondContact O-N 2.92Å; W196-D198 VanDerWaalsContact C-N 3.32Å; W196-D198 PolarHBondContact O-N 3.45Å; D198-R200 VanDerWaalsContact C-N 3.33Å
199	G	98.3	Very high	97.8	Very high	2 Å²	2	77.9 Å²	77.9	2%	0.021	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-80	-11	172	0	0	0	0	0	114.1	D189 G190 W196 R197	D189-G199 CarbonylContact C-O 3.57Å; D189-G199 WeakPolarHBondContact CA-O 3.43Å; G190-G199 PolarHBondContact N-O 3.34Å; G190-G199 CarbonylContact O-C 3.53Å; G190-G199 WeakPolarHBondContact O-CA 3.31Å; G190-G199 VanDerWaalsContact O-O 3.13Å; W196-G199 PolarHBondContact O-N 3.11Å; R197-G199 PolarHBondContact O-N 2.95Å
200	R	98.7	Very high	97.7	Very high	116 Å²	116	78.9 Å²	78.9	44%	0.438	42%	0.415	S	S	.	.	S	Bend	trans	-76	151.3	179.2	-57.3	-57.6	-55.5	-74.5	3.7	111.4	D189 R197 D198 A202	D189-R200 VanDerWaalsContact OD1-CA 3.24Å; D189-R200 WeakPolarHBondContact OD1-CA 3.45Å; D189-R200 IonicContact OD1-CZ 3.39Å; D189-R200 IonicContact OD1-NE 2.92Å; D189-R200 PolarHBondContact OD1-NE 3.16Å; D189-R200 IonicContact OD1-NH2 3.46Å; D189-R200 IonicContact OD2-CZ 2.64Å; D189-R200 VanDerWaalsContact OD2-CZ 3.3Å; D189-R200 IonicContact OD2-NE 2.78Å; D189-R200 PolarHBondContact OD2-NE 2.97Å; D189-R200 IonicContact OD2-NH2 2.71Å; D189-R200 PolarHBondContact OD2-NH2 3.42Å; R197-R200 WeakPolarHBondContact O-CB 3.43Å; R197-R200 WeakPolarHBondContact O-CG 3.44Å; R197-R200 PolarHBondContact O-N 3.15Å; R197-R200 VanDerWaalsContact O-N 3.11Å; D198-R200 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 3.28Å; R200-A202 VanDerWaalsContact O-N 3.11Å
201	G	98.6	Very high	97.5	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-53.6	113.8	-177.9	0	0	0	0	0	112.6	D189 L203 Q204 N205	D189-G201 PolarHBondContact OD1-N 3.49Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 2.97Å; G201-Q204 PolarHBondContact O-N 3.41Å; G201-N205 PolarHBondContact O-N 3.31Å; G201-N205 PolarHBondContact O-ND2 3.05Å
202	A	98.5	Very high	97.3	Very high	5 Å²	5	75.9 Å²	75.9	4%	0.041	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.2	-168.3	0	0	0	0	0	113.1	I181 Q185 K186 R200 Q204	I181-A202 HydrophobicContact CD1-CB 3.63Å; I181-A202 WeakPolarHBondContact CD1-O 3.29Å; I181-A202 HydrophobicContact CG1-CB 3.94Å; I181-A202 HydrophobicContact CG2-CB 3.88Å; Q185-A202 HydrophobicContact CB-CB 3.96Å; K186-A202 WeakPolarHBondContact O-CB 3.49Å; K186-A202 PolarHBondContact O-N 3.43Å; R200-A202 PolarHBondContact O-N 3.28Å; R200-A202 VanDerWaalsContact O-N 3.11Å; A202-Q204 PolarHBondContact O-N 2.88Å
203	L	97.4	Very high	97.2	Very high	131 Å²	131	74.4 Å²	74.4	69%	0.686	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11	179.4	-66.2	176.5	0	0	0	113.7	I181 G201	I181-L203 HydrophobicContact CD1-CD2 4.24Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 2.97Å
204	Q	98.4	Very high	97.2	Very high	144 Å²	144	71.3 Å²	71.3	67%	0.673	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-13.7	-169	-64.5	172.9	-53.4	0	0	113.7	G201 A202	G201-Q204 PolarHBondContact O-N 3.41Å; A202-Q204 PolarHBondContact O-N 2.88Å
205	N	98.8	Very high	97.3	Very high	46 Å²	46	68.5 Å²	68.5	25%	0.246	34%	0.344	C	S	.	.			trans	-128.2	147	-164.9	-69.4	-82.1	0	0	0	113	G201 I207	G201-N205 PolarHBondContact O-N 3.31Å; G201-N205 PolarHBondContact O-ND2 3.05Å; N205-I207 HydrophobicContact CB-CD1 4.22Å; N205-I207 HydrophobicContact CB-CG1 3.63Å
206	I	98.9	Very high	97.4	Very high	116 Å²	116	64.2 Å²	64.2	60%	0.595	32%	0.323	S	S	*	.			trans	-87.6	115.2	154.9	-59	174.8	0	0	0	106.4	F233 R234 V235	I206-F233 HydrophobicContact CG2-CB 3.99Å; I206-F233 HydrophobicContact CG2-CD1 3.66Å; I206-F233 HydrophobicContact CG2-CE1 4.47Å; I206-F233 HydrophobicContact CG2-CG 4.11Å; I206-R234 CarbonylContact C-O 3.55Å; I206-R234 WeakPolarHBondContact CA-O 3.31Å; I206-V235 HydrophobicContact CG1-CG1 4.28Å; I206-V235 HydrophobicContact CG2-CG1 4.21Å
207	I	98.8	Very high	97.4	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.3	-169.6	-55.5	173.2	0	0	0	109.4	R197 N205 A209 F233 R234	R197-I207 HydrophobicContact CB-CG2 3.76Å; R197-I207 WeakPolarHBondContact O-CG2 3.44Å; N205-I207 HydrophobicContact CB-CD1 4.22Å; N205-I207 HydrophobicContact CB-CG1 3.63Å; I207-A209 PolarHBondContact O-N 3.13Å; I207-F233 CarbonylContact O-C 3.54Å; I207-F233 WeakPolarHBondContact O-CA 3.16Å; I207-R234 HydrophobicContact CB-CB 4.06Å; I207-R234 HydrophobicContact CB-CG 4.41Å; I207-R234 PolarHBondContact N-O 2.87Å; I207-R234 PolarHBondContact O-N 2.98Å
208	P	98.7	Very high	97.3	Very high	38 Å²	38	47 Å²	47	25%	0.247	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.3	174.9	3.7	6.1	0	0	0	110.9	R197 M231 A232 F233	R197-P208 WeakPolarHBondContact CD-O 3.1Å; P208-M231 HydrophobicContact CB-CE 3.9Å; P208-A232 CarbonylContact C-O 3.57Å; P208-A232 WeakPolarHBondContact CA-O 3.34Å; P208-F233 HydrophobicContact CB-CD1 3.81Å; P208-F233 HydrophobicContact CB-CE1 3.64Å; P208-F233 HydrophobicContact CG-CD1 4.1Å; P208-F233 HydrophobicContact CG-CE1 3.84Å
209	A	98.2	Very high	97.3	Very high	15 Å²	15	52.2 Å²	52.2	12%	0.124	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148	-179	0	0	0	0	0	111.1	I207 A232	I207-A209 PolarHBondContact O-N 3.13Å; A209-A232 HydrophobicContact CB-CB 4.41Å; A209-A232 PolarHBondContact N-O 3.28Å; A209-A232 PolarHBondContact O-N 3.43Å
210	S	96.3	Very high	97.3	Very high	106 Å²	106	52.3 Å²	52.3	74%	0.741	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.2	167.6	58.1	0	0	0	0	110.1
211	T	94.8	Very high	97.3	Very high	38 Å²	38	47.5 Å²	47.5	23%	0.233	26%	0.264	C	S	.	.			trans	-146.4	140.6	172.9	178.1	0	0	0	0	110.8	M175 A213 A232	M175-T211 HydrophobicContact CE-CG2 4.05Å; T211-A213 VanDerWaalsContact C-N 3.3Å; T211-A213 VanDerWaalsContact OG1-CB 3.31Å; T211-A213 WeakPolarHBondContact OG1-CB 3.44Å; T211-A213 PolarHBondContact OG1-N 2.83Å; T211-A213 VanDerWaalsContact OG1-N 3.1Å; T211-A232 HydrophobicContact CG2-CB 4.24Å
212	G	92.8	Very high	97.2	Very high	53 Å²	53	51.1 Å²	51.1	55%	0.546	29%	0.288	S	S	.	.	S	Bend	trans	-85.2	-1	171.6	0	0	0	0	0	113.6	A214 K215 A216	G212-A214 PolarHBondContact O-N 3.18Å; G212-K215 PolarHBondContact O-N 3.46Å; G212-A216 WeakPolarHBondContact O-CB 3.41Å; G212-A216 PolarHBondContact O-N 2.92Å
213	A	94.8	Very high	97.2	Very high	1 Å²	1	57 Å²	57	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-41.9	-167.4	0	0	0	0	0	113.8	T153 T154 T211 A216 V217	T153-A213 HydrophobicContact CG2-CB 3.84Å; T154-A213 WeakPolarHBondContact OG1-CA 3.34Å; T154-A213 PolarHBondContact OG1-O 3.28Å; T211-A213 VanDerWaalsContact C-N 3.3Å; T211-A213 VanDerWaalsContact OG1-CB 3.31Å; T211-A213 WeakPolarHBondContact OG1-CB 3.44Å; T211-A213 PolarHBondContact OG1-N 2.83Å; T211-A213 VanDerWaalsContact OG1-N 3.1Å; A213-A216 WeakPolarHBondContact O-CB 3.33Å; A213-A216 PolarHBondContact O-N 2.83Å; A213-V217 PolarHBondContact O-N 3.05Å
214	A	95.4	Very high	97.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-40.7	176.8	0	0	0	0	0	111.9	L157 M175 G212 A216 V217 T229	L157-A214 HydrophobicContact CD2-CB 3.91Å; M175-A214 HydrophobicContact CB-CB 3.94Å; M175-A214 HydrophobicContact SD-CB 4.3Å; G212-A214 PolarHBondContact O-N 3.18Å; A214-A216 VanDerWaalsContact C-N 3.26Å; A214-A216 PolarHBondContact O-N 3.04Å; A214-V217 VanDerWaalsContact O-CB 3.28Å; A214-V217 WeakPolarHBondContact O-CB 3.25Å; A214-V217 WeakPolarHBondContact O-CG2 3.28Å; A214-V217 PolarHBondContact O-N 3.25Å; A214-V217 VanDerWaalsContact O-N 3.12Å; A214-T229 VanDerWaalsContact CB-C 3.4Å
215	K	96	Very high	97.3	Very high	145 Å²	145	49.2 Å²	49.2	63%	0.63	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-34.9	172.9	-173.5	176.9	-179.1	177.4	0	111.9	G212 V217 G218	G212-K215 PolarHBondContact O-N 3.46Å; K215-V217 PolarHBondContact O-N 2.89Å; K215-G218 PolarHBondContact O-N 2.89Å; K215-G218 VanDerWaalsContact O-N 3.15Å
216	A	96.9	Very high	97.3	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-20.8	177.3	0	0	0	0	0	113.3	M130 T154 G212 A213 A214 G218 K219 V220	M130-A216 HydrophobicContact CE-CB 3.85Å; T154-A216 HydrophobicContact CG2-CB 4.16Å; G212-A216 WeakPolarHBondContact O-CB 3.41Å; G212-A216 PolarHBondContact O-N 2.92Å; A213-A216 WeakPolarHBondContact O-CB 3.33Å; A213-A216 PolarHBondContact O-N 2.83Å; A214-A216 VanDerWaalsContact C-N 3.26Å; A214-A216 PolarHBondContact O-N 3.04Å; A216-G218 PolarHBondContact O-N 2.82Å; A216-K219 WeakPolarHBondContact O-CB 3.23Å; A216-K219 PolarHBondContact O-N 2.95Å; A216-V220 PolarHBondContact O-N 2.9Å
217	V	98.1	Very high	97.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-39.1	171	-179.6	0	0	0	0	110.6	T154 L157 A158 A161 A213 A214 K215 K219 V220 I221 L224 L228	T154-V217 HydrophobicContact CG2-CG2 4.31Å; L157-V217 HydrophobicContact CB-CG2 4.26Å; L157-V217 HydrophobicContact CD2-CG2 3.63Å; L157-V217 HydrophobicContact CG-CG2 3.83Å; A158-V217 HydrophobicContact CB-CG1 4.31Å; A158-V217 HydrophobicContact CB-CG2 4.29Å; A161-V217 HydrophobicContact CB-CG1 4.18Å; A213-V217 PolarHBondContact O-N 3.05Å; A214-V217 VanDerWaalsContact O-CB 3.28Å; A214-V217 WeakPolarHBondContact O-CB 3.25Å; A214-V217 WeakPolarHBondContact O-CG2 3.28Å; A214-V217 PolarHBondContact O-N 3.25Å; A214-V217 VanDerWaalsContact O-N 3.12Å; K215-V217 PolarHBondContact O-N 2.89Å; V217-K219 PolarHBondContact O-N 3.02Å; V217-V220 WeakPolarHBondContact O-CG2 2.97Å; V217-V220 PolarHBondContact O-N 3.42Å; V217-V220 VanDerWaalsContact O-N 3.13Å; V217-I221 HydrophobicContact CG1-CD1 3.9Å; V217-I221 HydrophobicContact CG1-CG1 4.45Å; V217-I221 PolarHBondContact O-N 3.28Å; V217-L224 HydrophobicContact CG1-CD1 4.02Å; V217-L228 HydrophobicContact CB-CD1 4.08Å; V217-L228 HydrophobicContact CG1-CD1 3.76Å
218	G	97	Very high	97.3	Very high	5 Å²	5	48.7 Å²	48.7	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-19.9	175	0	0	0	0	0	114.8	K215 A216 I221 P222	K215-G218 PolarHBondContact O-N 2.89Å; K215-G218 VanDerWaalsContact O-N 3.15Å; A216-G218 PolarHBondContact O-N 2.82Å; G218-I221 WeakPolarHBondContact CA-O 3.33Å; G218-I221 CarbonylContact O-C 3.59Å; G218-P222 WeakPolarHBondContact O-CA 3.48Å
219	K	97.1	Very high	97.2	Very high	123 Å²	123	50.3 Å²	50.3	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-80.7	-35.1	173.8	-69.8	-179.7	166.2	-166.4	0	112.1	M130 A216 V217	M130-K219 HydrophobicContact CE-CB 4.2Å; M130-K219 HydrophobicContact CE-CD 3.23Å; M130-K219 HydrophobicContact CE-CG 4.31Å; A216-K219 WeakPolarHBondContact O-CB 3.23Å; A216-K219 PolarHBondContact O-N 2.95Å; V217-K219 PolarHBondContact O-N 3.02Å
220	V	98.3	Very high	97.2	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-90.2	-25.4	-179.8	-62.3	0	0	0	0	112.6	M130 V132 V135 N136 A158 A216 V217	M130-V220 HydrophobicContact CB-CG1 4.3Å; V132-V220 HydrophobicContact CG2-CG1 4.19Å; V132-V220 HydrophobicContact CG2-CG2 4.39Å; V135-V220 HydrophobicContact CG1-CB 4.41Å; V135-V220 HydrophobicContact CG1-CG2 4.3Å; N136-V220 HydrophobicContact CB-CB 4.35Å; N136-V220 WeakPolarHBondContact CB-O 3.43Å; A158-V220 HydrophobicContact CB-CG2 3.97Å; A216-V220 PolarHBondContact O-N 2.9Å; V217-V220 WeakPolarHBondContact O-CG2 2.97Å; V217-V220 PolarHBondContact O-N 3.42Å; V217-V220 VanDerWaalsContact O-N 3.13Å
221	I	98.6	Very high	97.4	Very high	15 Å²	15	48 Å²	48	8%	0.077	28%	0.281	C	S	.	.	S	Bend	trans	-123.5	87.5	172.4	-53.7	170	0	0	0	107.3	V135 A158 K162 V217 G218 E223 L224	V135-I221 HydrophobicContact CG1-CD1 3.84Å; V135-I221 HydrophobicContact CG1-CG1 3.46Å; V135-I221 VanDerWaalsContact CG1-CG1 3.46Å; A158-I221 HydrophobicContact CB-CD1 4.44Å; A158-I221 WeakPolarHBondContact O-CD1 3.32Å; K162-I221 HydrophobicContact CB-CD1 3.8Å; V217-I221 HydrophobicContact CG1-CD1 3.9Å; V217-I221 HydrophobicContact CG1-CG1 4.45Å; V217-I221 PolarHBondContact O-N 3.28Å; G218-I221 WeakPolarHBondContact CA-O 3.33Å; G218-I221 CarbonylContact O-C 3.59Å; I221-E223 PolarHBondContact O-N 3.45Å; I221-E223 VanDerWaalsContact O-N 3.12Å; I221-L224 HydrophobicContact CB-CB 4.38Å; I221-L224 HydrophobicContact CB-CD1 4.09Å; I221-L224 HydrophobicContact CB-CG 4.31Å; I221-L224 HydrophobicContact CD1-CD1 3.96Å; I221-L224 HydrophobicContact CG2-CB 4.25Å; I221-L224 HydrophobicContact CG2-CD1 3.78Å; I221-L224 HydrophobicContact CG2-CG 3.77Å; I221-L224 PolarHBondContact O-N 2.98Å
222	P	98.3	Very high	97.5	Very high	77 Å²	77	46.3 Å²	46.3	50%	0.5	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.3	-30.7	-174.3	-29.9	37.6	0	0	0	115.1	G218 L224 N225	G218-P222 WeakPolarHBondContact O-CA 3.48Å; P222-L224 PolarHBondContact O-N 2.96Å; P222-N225 WeakPolarHBondContact O-CB 3.47Å; P222-N225 PolarHBondContact O-N 3.18Å
223	E	98.5	Very high	97.8	Very high	129 Å²	129	46.9 Å²	46.9	60%	0.603	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-64.1	-18.5	176.6	-65.2	171.2	-172.9	0	0	113.6	H165 I221 K227	H165-E223 IonicContact CD2-OE2 3.65Å; H165-E223 PolarHBondContact CD2-OE2 3.16Å; H165-E223 IonicContact NE2-OE2 2.8Å; H165-E223 PolarHBondContact NE2-OE2 3.33Å; I221-E223 PolarHBondContact O-N 3.45Å; I221-E223 VanDerWaalsContact O-N 3.12Å; E223-K227 WeakPolarHBondContact O-CE 3.18Å
224	L	98.7	Very high	98	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-99.9	5.1	175.9	-63.2	179.4	0	0	0	113.1	A161 H165 I170 V217 I221 P222 G226 K227 L228	A161-L224 HydrophobicContact CB-CD1 4Å; H165-L224 HydrophobicContact CB-CD1 4.34Å; H165-L224 HydrophobicContact CB-CD2 4.28Å; H165-L224 VanDerWaalsContact ND1-CD2 3.33Å; H165-L224 WeakPolarHBondContact ND1-CD2 3.48Å; I170-L224 HydrophobicContact CB-CD2 3.81Å; I170-L224 HydrophobicContact CD1-CD1 4.39Å; I170-L224 HydrophobicContact CD1-CD2 4.27Å; I170-L224 HydrophobicContact CG2-CD2 4.26Å; V217-L224 HydrophobicContact CG1-CD1 4.02Å; I221-L224 HydrophobicContact CB-CB 4.38Å; I221-L224 HydrophobicContact CB-CD1 4.09Å; I221-L224 HydrophobicContact CB-CG 4.31Å; I221-L224 HydrophobicContact CD1-CD1 3.96Å; I221-L224 HydrophobicContact CG2-CB 4.25Å; I221-L224 HydrophobicContact CG2-CD1 3.78Å; I221-L224 HydrophobicContact CG2-CG 3.77Å; I221-L224 PolarHBondContact O-N 2.98Å; P222-L224 PolarHBondContact O-N 2.96Å; L224-G226 PolarHBondContact O-N 3.44Å; L224-K227 HydrophobicContact CD2-CD 4.21Å; L224-K227 PolarHBondContact O-N 2.84Å; L224-L228 HydrophobicContact CB-CD1 4.36Å; L224-L228 HydrophobicContact CD1-CD1 3.94Å
225	N	98.4	Very high	98.2	Very high	109 Å²	109	50.1 Å²	50.1	58%	0.583	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	126.6	177.6	-171.8	38.9	0	0	0	111	P222 K227	P222-N225 WeakPolarHBondContact O-CB 3.47Å; P222-N225 PolarHBondContact O-N 3.18Å; N225-K227 PolarHBondContact O-N 3.08Å
226	G	98.1	Very high	98.3	Very high	77 Å²	77	46.2 Å²	46.2	79%	0.794	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-7.2	-175.3	0	0	0	0	0	115.4	L224	L224-G226 PolarHBondContact O-N 3.44Å
227	K	98.8	Very high	98.4	Very high	71 Å²	71	48.1 Å²	48.1	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-19.3	-178.3	-58.8	-171	177.4	-178	0	114.2	I170 V171 E172 G173 E223 L224 N225	I170-K227 WeakPolarHBondContact O-CD 3.32Å; I170-K227 PolarHBondContact O-NZ 3.09Å; V171-K227 WeakPolarHBondContact O-CD 3.43Å; E172-K227 CarbonylContact C-O 3.55Å; E172-K227 WeakPolarHBondContact CA-O 3.39Å; G173-K227 PolarHBondContact N-O 3.15Å; E223-K227 WeakPolarHBondContact O-CE 3.18Å; L224-K227 HydrophobicContact CD2-CD 4.21Å; L224-K227 PolarHBondContact O-N 2.84Å; N225-K227 PolarHBondContact O-N 3.08Å
228	L	98.8	Very high	98.4	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.3	-176.7	-64	178.7	0	0	0	111.9	A161 I170 G173 V217 L224 L245	A161-L228 HydrophobicContact CB-CD1 4.21Å; I170-L228 HydrophobicContact CG2-CD2 4.25Å; G173-L228 WeakPolarHBondContact O-CA 3.3Å; V217-L228 HydrophobicContact CB-CD1 4.08Å; V217-L228 HydrophobicContact CG1-CD1 3.76Å; L224-L228 HydrophobicContact CB-CD1 4.36Å; L224-L228 HydrophobicContact CD1-CD1 3.94Å; L228-L245 HydrophobicContact CD2-CD1 4.13Å
229	T	98.6	Very high	98.5	Very high	72 Å²	72	51.7 Å²	51.7	44%	0.442	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	177.5	167.6	-166.9	0	0	0	0	109.7	G173 L174 M175 A214	G173-T229 PolarHBondContact O-N 2.67Å; L174-T229 WeakPolarHBondContact CA-O 3.47Å; L174-T229 HydrophobicContact CD2-CG2 3.51Å; M175-T229 PolarHBondContact N-O 2.87Å; A214-T229 VanDerWaalsContact CB-C 3.4Å
230	G	98.1	Very high	98.6	Very high	17 Å²	17	46 Å²	46	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-175.7	-176.4	0	0	0	0	0	115	M175	M175-G230 CarbonylContact O-C 3.45Å; M175-G230 WeakPolarHBondContact O-CA 3.42Å
231	M	98.6	Very high	98.6	Very high	55 Å²	55	45.9 Å²	45.9	27%	0.271	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	176.1	-179.7	65.9	75.3	67.1	0	0	110.8	M175 T176 T177 P208 F233	M175-M231 WeakPolarHBondContact CE-O 3.23Å; M175-M231 PolarHBondContact O-N 2.87Å; T176-M231 WeakPolarHBondContact CA-O 3.33Å; T176-M231 HydrophobicContact CG2-SD 3.85Å; T177-M231 PolarHBondContact N-O 2.7Å; P208-M231 HydrophobicContact CB-CE 3.9Å; M231-F233 HydrophobicContact CE-CD1 4.08Å; M231-F233 HydrophobicContact CE-CD2 3.77Å; M231-F233 HydrophobicContact CE-CE1 3.82Å; M231-F233 HydrophobicContact CE-CE2 3.46Å; M231-F233 VanDerWaalsContact CE-CE2 3.46Å; M231-F233 HydrophobicContact CE-CG 4.07Å; M231-F233 HydrophobicContact CE-CZ 3.49Å; M231-F233 VanDerWaalsContact CE-CZ 3.49Å; M231-F233 HydrophobicContact SD-CD2 3.7Å; M231-F233 HydrophobicContact SD-CE2 3.44Å; M231-F233 WeakPolarHBondContact SD-CE2 3.24Å; M231-F233 HydrophobicContact SD-CG 4.5Å; M231-F233 HydrophobicContact SD-CZ 4.08Å
232	A	98.8	Very high	98.6	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.5	177.5	0	0	0	0	0	111.7	T177 P208 A209 T211	T177-A232 HydrophobicContact CG2-CB 3.51Å; T177-A232 CarbonylContact O-C 3.57Å; T177-A232 VanDerWaalsContact O-CA 3.27Å; T177-A232 WeakPolarHBondContact O-CA 3.34Å; P208-A232 CarbonylContact C-O 3.57Å; P208-A232 WeakPolarHBondContact CA-O 3.34Å; A209-A232 HydrophobicContact CB-CB 4.41Å; A209-A232 PolarHBondContact N-O 3.28Å; A209-A232 PolarHBondContact O-N 3.43Å; T211-A232 HydrophobicContact CG2-CB 4.24Å
233	F	98.9	Very high	98.7	Very high	66 Å²	66	42.6 Å²	42.6	29%	0.289	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.8	159.7	-69	-80.2	0	0	0	108.3	T176 T177 H179 I206 I207 P208 M231	T176-F233 HydrophobicContact CG2-CD2 3.65Å; T176-F233 HydrophobicContact CG2-CE2 3.96Å; T177-F233 PolarHBondContact O-N 2.83Å; H179-F233 PolarHBondContact N-O 3.4Å; I206-F233 HydrophobicContact CG2-CB 3.99Å; I206-F233 HydrophobicContact CG2-CD1 3.66Å; I206-F233 HydrophobicContact CG2-CE1 4.47Å; I206-F233 HydrophobicContact CG2-CG 4.11Å; I207-F233 CarbonylContact O-C 3.54Å; I207-F233 WeakPolarHBondContact O-CA 3.16Å; P208-F233 HydrophobicContact CB-CD1 3.81Å; P208-F233 HydrophobicContact CB-CE1 3.64Å; P208-F233 HydrophobicContact CG-CD1 4.1Å; P208-F233 HydrophobicContact CG-CE1 3.84Å; M231-F233 HydrophobicContact CE-CD1 4.08Å; M231-F233 HydrophobicContact CE-CD2 3.77Å; M231-F233 HydrophobicContact CE-CE1 3.82Å; M231-F233 HydrophobicContact CE-CE2 3.46Å; M231-F233 VanDerWaalsContact CE-CE2 3.46Å; M231-F233 HydrophobicContact CE-CG 4.07Å; M231-F233 HydrophobicContact CE-CZ 3.49Å; M231-F233 VanDerWaalsContact CE-CZ 3.49Å; M231-F233 HydrophobicContact SD-CD2 3.7Å; M231-F233 HydrophobicContact SD-CE2 3.44Å; M231-F233 WeakPolarHBondContact SD-CE2 3.24Å; M231-F233 HydrophobicContact SD-CG 4.5Å; M231-F233 HydrophobicContact SD-CZ 4.08Å
234	R	98.8	Very high	98.7	Very high	44 Å²	44	38.1 Å²	38.1	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	130.3	167	-46	-67.4	-174.8	178.5	-0.6	108.6	H179 Q185 I206 I207	H179-R234 PolarHBondContact CD2-NH1 3.21Å; H179-R234 PolarHBondContact CE1-NH1 3.11Å; H179-R234 PolarHBondContact ND1-NH1 3.16Å; H179-R234 VanDerWaalsContact ND1-NH1 3.15Å; H179-R234 CarbonylContact O-C 3.55Å; H179-R234 VanDerWaalsContact O-CA 3.26Å; H179-R234 WeakPolarHBondContact O-CA 3.5Å; Q185-R234 VanDerWaalsContact NE2-CB 3.35Å; I206-R234 CarbonylContact C-O 3.55Å; I206-R234 WeakPolarHBondContact CA-O 3.31Å; I207-R234 HydrophobicContact CB-CB 4.06Å; I207-R234 HydrophobicContact CB-CG 4.41Å; I207-R234 PolarHBondContact N-O 2.87Å; I207-R234 PolarHBondContact O-N 2.98Å
235	V	98.8	Very high	98.7	Very high	25 Å²	25	38 Å²	38	15%	0.152	24%	0.235	C	C	.	.			trans	-126.1	157.1	-178.3	-62.7	0	0	0	0	111.7	V178 H179 I181 I206 T237	V178-V235 HydrophobicContact CG1-CB 4.25Å; V178-V235 HydrophobicContact CG1-CG1 3.59Å; V178-V235 HydrophobicContact CG1-CG2 3.62Å; H179-V235 PolarHBondContact O-N 2.51Å; I181-V235 WeakPolarHBondContact CG1-O 3.46Å; I206-V235 HydrophobicContact CG1-CG1 4.28Å; I206-V235 HydrophobicContact CG2-CG1 4.21Å; V235-T237 PolarHBondContact O-N 3.43Å
236	P	98.6	Very high	98.7	Very high	63 Å²	63	34.4 Å²	34.4	41%	0.409	22%	0.217	S	C	.	.	S	Bend	trans	-67.5	58.7	-176.7	-22.2	35.8	0	0	0	116.2
237	T	98.8	Very high	98.8	Very high	47 Å²	47	30.7 Å²	30.7	29%	0.288	18%	0.179	S	C	.	.			trans	-125.3	144.4	169.8	52.5	0	0	0	0	108.6	A180 I181 V235	A180-T237 WeakPolarHBondContact CA-O 3.24Å; A180-T237 WeakPolarHBondContact CA-OG1 3.37Å; A180-T237 WeakPolarHBondContact CB-O 3.11Å; I181-T237 PolarHBondContact N-O 2.95Å; V235-T237 PolarHBondContact O-N 3.43Å
238	A	98.3	Very high	98.8	Very high	73 Å²	73	32.9 Å²	32.9	60%	0.603	19%	0.185	S	C	*	.	S	Bend	trans	-80	-26	-174.4	0	0	0	0	0	113.1
239	N	98.8	Very high	98.8	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.043	18%	0.184	C	C	.	.	S	Bend	trans	-159.6	172.5	179.2	-171.1	33.2	0	0	0	110.1	T52 H53 D315 N316 E317	T52-N239 HydrophobicContact CG2-CB 3.36Å; T52-N239 WeakPolarHBondContact CG2-ND2 3.44Å; H53-N239 PolarHBondContact CE1-ND2 3.3Å; N239-D315 PolarHBondContact ND2-OD1 3.32Å; N239-D315 PolarHBondContact ND2-OD2 3.05Å; N239-D315 PolarHBondContact OD1-OD1 3.12Å; N239-N316 PolarHBondContact OD1-ND2 2.82Å; N239-N316 VanDerWaalsContact OD1-ND2 3.16Å; N239-N316 PolarHBondContact OD1-OD1 2.99Å; N239-E317 WeakPolarHBondContact OD1-CG 3.36Å
240	V	98.8	Very high	98.8	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	19%	0.192	C	C	.	.			trans	67.1	133.9	-173.7	-177.9	0	0	0	0	111.9	A180 S283 F286 W313 D315 N316	A180-V240 WeakPolarHBondContact CB-O 3.31Å; V240-S283 WeakPolarHBondContact CG1-O 3.44Å; V240-S283 WeakPolarHBondContact CG2-O 3.38Å; V240-F286 HydrophobicContact CG1-CB 3.94Å; V240-F286 HydrophobicContact CG1-CD2 4.46Å; V240-F286 HydrophobicContact CG2-CB 4.13Å; V240-W313 HydrophobicContact CG1-CE3 3.93Å; V240-W313 HydrophobicContact CG1-CZ3 4.42Å; V240-D315 HydrophobicContact CG2-CB 4.38Å; V240-N316 VanDerWaalsContact C-OD1 3.3Å; V240-N316 WeakPolarHBondContact CA-OD1 3.29Å; V240-N316 PolarHBondContact N-OD1 3.28Å; V240-N316 VanDerWaalsContact N-OD1 3.11Å
241	S	98.9	Very high	98.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	165.4	-177.4	-63	0	0	0	0	109.6	V178 H179 A180 Y314 N316	V178-S241 WeakPolarHBondContact O-CA 3.4Å; H179-S241 WeakPolarHBondContact CA-OG 3.45Å; H179-S241 PolarHBondContact CE1-OG 2.76Å; H179-S241 VanDerWaalsContact CG-OG 3.28Å; H179-S241 PolarHBondContact ND1-OG 3.46Å; A180-S241 PolarHBondContact N-OG 3.27Å; S241-Y314 VanDerWaalsContact C-CE1 3.47Å; S241-Y314 VanDerWaalsContact CB-CE1 3.41Å; S241-Y314 WeakPolarHBondContact CB-OH 3.14Å; S241-Y314 PolarHBondContact N-O 3.2Å; S241-Y314 WeakPolarHBondContact O-CD1 3.38Å; S241-Y314 PolarHBondContact O-N 2.93Å; S241-N316 PolarHBondContact N-OD1 2.8Å; S241-N316 PolarHBondContact OG-OD1 3.36Å
242	V	98.9	Very high	98.8	Very high	22 Å²	22	41.5 Å²	41.5	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.6	178.6	63.1	0	0	0	0	110.6	T177 V178 I311 S312 W313	T177-V242 CarbonylContact C-O 3.52Å; T177-V242 WeakPolarHBondContact CA-O 3.21Å; T177-V242 WeakPolarHBondContact CB-O 3.37Å; T177-V242 PolarHBondContact OG1-O 3.07Å; V178-V242 HydrophobicContact CB-CG1 3.72Å; V178-V242 HydrophobicContact CG2-CG1 4.37Å; V178-V242 PolarHBondContact N-O 2.88Å; V178-V242 PolarHBondContact O-N 3.12Å; V242-I311 HydrophobicContact CG2-CG2 3.41Å; V242-I311 VanDerWaalsContact CG2-CG2 3.41Å; V242-S312 WeakPolarHBondContact CA-O 3.44Å; V242-W313 HydrophobicContact CB-CD2 4.07Å; V242-W313 HydrophobicContact CB-CE3 3.65Å; V242-W313 HydrophobicContact CB-CH2 4.27Å; V242-W313 HydrophobicContact CB-CZ3 3.74Å; V242-W313 HydrophobicContact CG1-CH2 4.44Å; V242-W313 HydrophobicContact CG1-CZ3 4.14Å; V242-W313 HydrophobicContact CG2-CD2 4.01Å; V242-W313 HydrophobicContact CG2-CE3 4.12Å; V242-W313 HydrophobicContact CG2-CG 4.46Å; V242-W313 HydrophobicContact CG2-CZ2 4.48Å; V242-W313 HydrophobicContact CG2-CZ3 4.37Å
243	V	98.9	Very high	98.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.3	169.7	166.4	0	0	0	0	108.5	T153 C156 L157 M175 L245 I311 S312 Y314	T153-V243 HydrophobicContact CG2-CG2 4Å; C156-V243 HydrophobicContact CB-CG2 4.08Å; L157-V243 HydrophobicContact CD1-CG1 4Å; M175-V243 HydrophobicContact CG-CG1 3.78Å; M175-V243 HydrophobicContact SD-CG1 4.43Å; M175-V243 HydrophobicContact SD-CG2 4.37Å; V243-L245 HydrophobicContact CG1-CB 4.43Å; V243-I311 WeakPolarHBondContact O-CA 2.96Å; V243-S312 PolarHBondContact N-O 2.86Å; V243-S312 PolarHBondContact O-N 3.02Å; V243-Y314 HydrophobicContact CG2-CD1 4.33Å; V243-Y314 HydrophobicContact CG2-CE1 3.76Å
244	D	98.9	Very high	98.8	Very high	35 Å²	35	43.9 Å²	43.9	19%	0.187	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.3	162.4	168.7	-4.9	0	0	0	107.4	M175 T176 T246 K309 I311	M175-D244 CarbonylContact C-O 3.49Å; M175-D244 VanDerWaalsContact CA-O 3.29Å; M175-D244 WeakPolarHBondContact CA-O 3.26Å; T176-D244 PolarHBondContact N-O 2.95Å; T176-D244 PolarHBondContact O-N 3.05Å; D244-T246 PolarHBondContact OD1-OG1 2.97Å; D244-K309 VanDerWaalsContact OD1-CG 3.3Å; D244-K309 WeakPolarHBondContact OD1-CG 3Å; D244-K309 IonicContact OD1-NZ 3.39Å; D244-K309 PolarHBondContact OD1-NZ 2.88Å; D244-K309 IonicContact OD2-NZ 2.68Å; D244-K309 PolarHBondContact OD2-NZ 3.26Å; D244-I311 HydrophobicContact CB-CD1 3.85Å
245	L	98.9	Very high	98.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.9	171.9	174.8	63.8	0	0	0	109.3	L157 L228 V243 C247 K309 L310	L157-L245 HydrophobicContact CD1-CB 4.1Å; L157-L245 HydrophobicContact CD1-CD1 4.09Å; L157-L245 HydrophobicContact CD1-CD2 3.88Å; L157-L245 HydrophobicContact CD1-CG 4.24Å; L228-L245 HydrophobicContact CD2-CD1 4.13Å; V243-L245 HydrophobicContact CG1-CB 4.43Å; L245-C247 HydrophobicContact CD1-CB 4.31Å; L245-C247 HydrophobicContact CD2-CB 4.47Å; L245-C247 HydrophobicContact CG-CB 4.17Å; L245-K309 CarbonylContact O-C 3.52Å; L245-K309 WeakPolarHBondContact O-CA 3.32Å; L245-L310 HydrophobicContact CB-CB 4.48Å; L245-L310 PolarHBondContact N-O 3.49Å; L245-L310 PolarHBondContact O-N 3.39Å
246	T	98.9	Very high	98.8	Very high	32 Å²	32	47.5 Å²	47.5	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.8	167.3	-55.7	0	0	0	0	108.6	G173 L174 D244 F307 V308 K309	G173-T246 CarbonylContact C-O 3.43Å; G173-T246 WeakPolarHBondContact CA-O 3.46Å; L174-T246 PolarHBondContact N-O 2.9Å; L174-T246 PolarHBondContact O-N 2.8Å; D244-T246 PolarHBondContact OD1-OG1 2.97Å; T246-F307 HydrophobicContact CG2-CE1 4.11Å; T246-F307 HydrophobicContact CG2-CE2 3.61Å; T246-F307 HydrophobicContact CG2-CZ 3.35Å; T246-V308 WeakPolarHBondContact CA-O 3.3Å; T246-K309 PolarHBondContact OG1-NZ 2.83Å
247	C	98.9	Very high	98.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.1	-174.3	59.8	0	0	0	0	113.3	I170 E172 L245 F307 V308	I170-C247 HydrophobicContact CG2-CB 4.41Å; E172-C247 WeakPolarHBondContact O-CA 3.43Å; L245-C247 HydrophobicContact CD1-CB 4.31Å; L245-C247 HydrophobicContact CD2-CB 4.47Å; L245-C247 HydrophobicContact CG-CB 4.17Å; C247-F307 WeakPolarHBondContact O-CD2 3.45Å; C247-V308 PolarHBondContact N-O 3.35Å; C247-V308 PolarHBondContact O-N 3.31Å; C247-V308 VanDerWaalsContact O-N 3.14Å
248	R	98.9	Very high	98.8	Very high	117 Å²	117	46 Å²	46	44%	0.442	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.3	168.4	-74.7	179.4	62.5	-151.9	0.4	110.5	V171 E172 H306 F307	V171-R248 HydrophobicContact CB-CB 4.27Å; V171-R248 PolarHBondContact N-O 3.15Å; E172-R248 HydrophobicContact CG-CB 4.14Å; E172-R248 HydrophobicContact CG-CG 4.44Å; E172-R248 PolarHBondContact O-N 3.45Å; E172-R248 VanDerWaalsContact OE1-CD 3.29Å; E172-R248 WeakPolarHBondContact OE1-CD 3.49Å; E172-R248 IonicContact OE1-CZ 3.22Å; E172-R248 IonicContact OE1-NE 2.79Å; E172-R248 IonicContact OE1-NH1 3.34Å; E172-R248 PolarHBondContact OE1-NH1 2.92Å; R248-H306 CarbonylContact C-O 3.5Å; R248-H306 VanDerWaalsContact CA-O 3.23Å; R248-H306 WeakPolarHBondContact CA-O 3.46Å; R248-F307 HydrophobicContact CB-CD2 4.4Å; R248-F307 HydrophobicContact CG-CD2 3.34Å; R248-F307 HydrophobicContact CG-CE2 3.79Å; R248-F307 HydrophobicContact CG-CG 4.33Å
249	L	98.9	Very high	98.8	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.6	-179.3	-52.5	-178.9	0	0	0	111.1	I164 F168 G169 K251 A253 I258 H306 V308	I164-L249 HydrophobicContact CG2-CD2 3.51Å; F168-L249 HydrophobicContact CB-CB 4.32Å; F168-L249 HydrophobicContact CB-CD1 4.08Å; F168-L249 HydrophobicContact CB-CD2 4.27Å; F168-L249 HydrophobicContact CB-CG 4.46Å; F168-L249 HydrophobicContact CG-CD1 4.36Å; G169-L249 CarbonylContact O-C 3.57Å; G169-L249 VanDerWaalsContact O-CA 3.24Å; G169-L249 WeakPolarHBondContact O-CA 3.23Å; L249-K251 WeakPolarHBondContact CB-O 3.44Å; L249-A253 HydrophobicContact CD1-CB 4.04Å; L249-I258 HydrophobicContact CD1-CD1 4.11Å; L249-H306 PolarHBondContact N-O 2.89Å; L249-H306 PolarHBondContact O-ND1 2.79Å; L249-V308 HydrophobicContact CD1-CG2 4.19Å; L249-V308 HydrophobicContact CG-CG2 4.35Å
250	E	98.7	Very high	98.8	Very high	131 Å²	131	50.9 Å²	50.9	61%	0.612	24%	0.243	S	C	*	.	S	Bend	trans	-75.2	-48.5	176.1	-176.9	174.4	-175.6	0	0	110.9	F168 G169 V171 H306	F168-E250 PolarHBondContact O-N 2.91Å; G169-E250 PolarHBondContact O-N 2.99Å; V171-E250 HydrophobicContact CG2-CB 3.97Å; E250-H306 PolarHBondContact O-CE1 2.81Å; E250-H306 VanDerWaalsContact O-CE1 3.22Å; E250-H306 PolarHBondContact O-ND1 2.99Å
251	K	98.7	Very high	98.8	Very high	120 Å²	120	51.8 Å²	51.8	52%	0.522	25%	0.249	S	C	.	.	S	Bend	trans	-90.8	140.4	172.9	-59.1	177.8	-170.8	166	0	110	F168 L249	F168-K251 PolarHBondContact O-N 2.93Å; L249-K251 WeakPolarHBondContact CB-O 3.44Å
252	P	98.7	Very high	98.8	Very high	78 Å²	78	51.7 Å²	51.7	51%	0.506	25%	0.248	S	C	.	.			trans	-65.3	142.9	173.7	27.3	-32.3	0	0	0	110.3	D305 H306	P252-D305 CarbonylContact C-O 3.51Å; P252-D305 WeakPolarHBondContact CA-O 3.26Å; P252-D305 HydrophobicContact CB-CB 3.74Å; P252-H306 VanDerWaalsContact N-CE1 3.34Å
253	A	98.7	Very high	98.8	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.025	26%	0.259	C	S	.	.			trans	-141.9	131.2	175.7	0	0	0	0	0	110.8	F168 L249 I258 D305	F168-A253 HydrophobicContact CD1-CB 3.64Å; F168-A253 HydrophobicContact CD2-CB 4.45Å; F168-A253 HydrophobicContact CE1-CB 3.58Å; F168-A253 HydrophobicContact CE2-CB 4.39Å; F168-A253 HydrophobicContact CG-CB 4.09Å; F168-A253 HydrophobicContact CZ-CB 3.98Å; L249-A253 HydrophobicContact CD1-CB 4.04Å; A253-I258 HydrophobicContact CB-CD1 4.14Å; A253-I258 HydrophobicContact CB-CG1 3.81Å; A253-D305 PolarHBondContact N-O 3.48Å; A253-D305 WeakPolarHBondContact O-CA 3.43Å
254	K	98.8	Very high	98.8	Very high	115 Å²	115	60.8 Å²	60.8	50%	0.5	29%	0.288	S	S	.	.			trans	-70.7	150.3	164.2	-60.1	-58.1	-177.4	-169.9	0	108.7	D256 D257 I258 D305	K254-D256 PolarHBondContact O-N 3.15Å; K254-D257 WeakPolarHBondContact CB-OD2 3.36Å; K254-D257 PolarHBondContact N-OD2 3.26Å; K254-D257 WeakPolarHBondContact O-CB 3.36Å; K254-D257 PolarHBondContact O-N 2.93Å; K254-I258 PolarHBondContact O-N 3.18Å; K254-D305 WeakPolarHBondContact CD-OD1 3.24Å; K254-D305 WeakPolarHBondContact CE-OD2 3.36Å; K254-D305 IonicContact NZ-OD1 2.71Å; K254-D305 PolarHBondContact NZ-OD1 3.21Å; K254-D305 IonicContact NZ-OD2 3.87Å; K254-D305 PolarHBondContact NZ-OD2 3.21Å
255	Y	98.8	Very high	98.8	Very high	40 Å²	40	59.6 Å²	59.6	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-32.2	-176.9	-164.5	-101	0	0	0	112.6	D257 I258 K259 A297 G300 A302 L310	Y255-D257 VanDerWaalsContact C-N 3.35Å; Y255-D257 PolarHBondContact O-N 3.21Å; Y255-I258 HydrophobicContact CD2-CD1 4.41Å; Y255-I258 WeakPolarHBondContact O-CB 3.36Å; Y255-I258 PolarHBondContact O-N 3.46Å; Y255-K259 HydrophobicContact CD1-CD 3.92Å; Y255-K259 HydrophobicContact CD1-CG 4.21Å; Y255-K259 HydrophobicContact CE1-CD 3.97Å; Y255-K259 HydrophobicContact CE1-CG 4.05Å; Y255-K259 WeakPolarHBondContact O-CG 3.3Å; Y255-K259 PolarHBondContact O-N 3.07Å; Y255-A297 WeakPolarHBondContact CE1-O 3.4Å; Y255-G300 WeakPolarHBondContact OH-CA 3.21Å; Y255-A302 HydrophobicContact CD2-CB 4.08Å; Y255-L310 HydrophobicContact CE2-CD2 3.89Å
256	D	98.8	Very high	98.8	Very high	105 Å²	105	60.3 Å²	60.3	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-67	-31.5	172.8	-75.3	-36.5	0	0	0	113.5	K254 K259 K260	K254-D256 PolarHBondContact O-N 3.15Å; D256-K259 WeakPolarHBondContact O-CB 3.16Å; D256-K259 PolarHBondContact O-N 2.71Å; D256-K259 WeakPolarHBondContact OD1-CE 3.32Å; D256-K259 IonicContact OD1-NZ 3.43Å; D256-K259 PolarHBondContact OD1-NZ 3.03Å; D256-K260 WeakPolarHBondContact O-CB 3.39Å; D256-K260 PolarHBondContact O-N 2.83Å
257	D	98.8	Very high	98.8	Very high	77 Å²	77	64.8 Å²	64.8	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-40	173.3	-61.2	-44.1	0	0	0	110.6	F168 K254 Y255 K260 V261	F168-D257 HydrophobicContact CZ-CB 4.42Å; K254-D257 WeakPolarHBondContact CB-OD2 3.36Å; K254-D257 PolarHBondContact N-OD2 3.26Å; K254-D257 WeakPolarHBondContact O-CB 3.36Å; K254-D257 PolarHBondContact O-N 2.93Å; Y255-D257 VanDerWaalsContact C-N 3.35Å; Y255-D257 PolarHBondContact O-N 3.21Å; D257-K260 PolarHBondContact O-N 3.31Å; D257-V261 PolarHBondContact O-N 3.25Å; D257-V261 VanDerWaalsContact O-N 3.07Å
258	I	98.9	Very high	98.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-50.2	173.9	-62.6	173.4	0	0	0	110.1	I164 F168 L249 A253 K254 Y255 K260 V261 V262 V308 L310	I164-I258 HydrophobicContact CD1-CG2 3.65Å; F168-I258 HydrophobicContact CD2-CG1 4.41Å; F168-I258 HydrophobicContact CE2-CB 4.39Å; F168-I258 HydrophobicContact CE2-CG1 3.84Å; F168-I258 HydrophobicContact CZ-CG1 4.21Å; L249-I258 HydrophobicContact CD1-CD1 4.11Å; A253-I258 HydrophobicContact CB-CD1 4.14Å; A253-I258 HydrophobicContact CB-CG1 3.81Å; K254-I258 PolarHBondContact O-N 3.18Å; Y255-I258 HydrophobicContact CD2-CD1 4.41Å; Y255-I258 WeakPolarHBondContact O-CB 3.36Å; Y255-I258 PolarHBondContact O-N 3.46Å; I258-K260 VanDerWaalsContact C-N 3.29Å; I258-K260 PolarHBondContact O-N 2.86Å; I258-V261 VanDerWaalsContact O-CG2 3.27Å; I258-V261 WeakPolarHBondContact O-CG2 3.27Å; I258-V261 PolarHBondContact O-N 2.5Å; I258-V262 HydrophobicContact CG2-CG2 4.38Å; I258-V262 VanDerWaalsContact O-CG2 3.28Å; I258-V262 WeakPolarHBondContact O-CG2 3.41Å; I258-V262 PolarHBondContact O-N 3.44Å; I258-V262 VanDerWaalsContact O-N 3.08Å; I258-V308 HydrophobicContact CD1-CB 4.31Å; I258-V308 HydrophobicContact CD1-CG1 3.79Å; I258-V308 HydrophobicContact CD1-CG2 4.13Å; I258-L310 HydrophobicContact CG2-CD1 4.49Å; I258-L310 HydrophobicContact CG2-CD2 3.88Å
259	K	98.9	Very high	98.7	Very high	40 Å²	40	66.8 Å²	66.8	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-53.8	-46.7	175.5	-77.1	169.3	46.3	-170.7	0	111.7	Y255 D256 V262 K263 Y276 E278 F295 A297	Y255-K259 HydrophobicContact CD1-CD 3.92Å; Y255-K259 HydrophobicContact CD1-CG 4.21Å; Y255-K259 HydrophobicContact CE1-CD 3.97Å; Y255-K259 HydrophobicContact CE1-CG 4.05Å; Y255-K259 WeakPolarHBondContact O-CG 3.3Å; Y255-K259 PolarHBondContact O-N 3.07Å; D256-K259 WeakPolarHBondContact O-CB 3.16Å; D256-K259 PolarHBondContact O-N 2.71Å; D256-K259 WeakPolarHBondContact OD1-CE 3.32Å; D256-K259 IonicContact OD1-NZ 3.43Å; D256-K259 PolarHBondContact OD1-NZ 3.03Å; K259-V262 PolarHBondContact O-N 2.8Å; K259-K263 VanDerWaalsContact O-CB 3.31Å; K259-K263 WeakPolarHBondContact O-CB 3.45Å; K259-K263 PolarHBondContact O-N 2.7Å; K259-Y276 HydrophobicContact CB-CE2 4.2Å; K259-Y276 WeakPolarHBondContact CE-OH 3.42Å; K259-Y276 HydrophobicContact CG-CE2 4.5Å; K259-Y276 WeakPolarHBondContact O-CE2 3.29Å; K259-E278 WeakPolarHBondContact CE-OE1 3.49Å; K259-E278 IonicContact NZ-OE1 2.76Å; K259-E278 PolarHBondContact NZ-OE1 3.01Å; K259-F295 HydrophobicContact CG-CE1 4.21Å; K259-A297 HydrophobicContact CD-CB 4.11Å; K259-A297 HydrophobicContact CG-CB 3.92Å
260	K	98.9	Very high	98.7	Very high	144 Å²	144	67 Å²	67	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-61.2	-47	-177.7	-175.8	-179.6	177.7	-177.2	0	112.3	D256 D257 I258 K263 Q264	D256-K260 WeakPolarHBondContact O-CB 3.39Å; D256-K260 PolarHBondContact O-N 2.83Å; D257-K260 PolarHBondContact O-N 3.31Å; I258-K260 VanDerWaalsContact C-N 3.29Å; I258-K260 PolarHBondContact O-N 2.86Å; K260-K263 PolarHBondContact O-N 3.19Å; K260-Q264 WeakPolarHBondContact O-CB 3.35Å; K260-Q264 PolarHBondContact O-N 3.37Å
261	V	98.9	Very high	98.7	Very high	22 Å²	22	68.4 Å²	68.4	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-35.1	-179.2	-59.1	0	0	0	0	112.1	V163 N167 F168 D257 I258 Q264 A265	V163-V261 HydrophobicContact CG1-CB 4.48Å; V163-V261 HydrophobicContact CG1-CG2 4.15Å; N167-V261 HydrophobicContact CB-CG1 4.48Å; N167-V261 HydrophobicContact CB-CG2 4.45Å; F168-V261 HydrophobicContact CE2-CG2 3.48Å; F168-V261 VanDerWaalsContact CE2-CG2 3.48Å; F168-V261 HydrophobicContact CZ-CG1 4.11Å; F168-V261 HydrophobicContact CZ-CG2 3.78Å; D257-V261 PolarHBondContact O-N 3.25Å; D257-V261 VanDerWaalsContact O-N 3.07Å; I258-V261 VanDerWaalsContact O-CG2 3.27Å; I258-V261 WeakPolarHBondContact O-CG2 3.27Å; I258-V261 PolarHBondContact O-N 2.5Å; V261-Q264 PolarHBondContact O-N 2.91Å; V261-A265 WeakPolarHBondContact O-CB 3.37Å; V261-A265 PolarHBondContact O-N 3.36Å
262	V	98.9	Very high	98.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-44.2	175.6	178	0	0	0	0	110.7	L160 V163 I164 I258 K259 A265 S266 L274 Y276 F295	L160-V262 HydrophobicContact CD1-CG1 4.44Å; L160-V262 HydrophobicContact CD1-CG2 4.07Å; V163-V262 HydrophobicContact CG1-CG2 4.15Å; I164-V262 HydrophobicContact CD1-CG2 4Å; I258-V262 HydrophobicContact CG2-CG2 4.38Å; I258-V262 VanDerWaalsContact O-CG2 3.28Å; I258-V262 WeakPolarHBondContact O-CG2 3.41Å; I258-V262 PolarHBondContact O-N 3.44Å; I258-V262 VanDerWaalsContact O-N 3.08Å; K259-V262 PolarHBondContact O-N 2.8Å; V262-A265 PolarHBondContact O-N 3.28Å; V262-S266 PolarHBondContact O-N 2.95Å; V262-L274 HydrophobicContact CG1-CD2 4.18Å; V262-Y276 HydrophobicContact CB-CD2 4.44Å; V262-Y276 HydrophobicContact CG1-CD2 4.13Å; V262-F295 HydrophobicContact CB-CD1 4.27Å; V262-F295 HydrophobicContact CB-CG 4.49Å; V262-F295 HydrophobicContact CG1-CB 3.57Å; V262-F295 HydrophobicContact CG1-CD1 3.76Å; V262-F295 HydrophobicContact CG1-CD2 4.38Å; V262-F295 HydrophobicContact CG1-CG 3.65Å
263	K	98.9	Very high	98.7	Very high	82 Å²	82	61.4 Å²	61.4	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-59.1	-48.6	174.3	-173.3	173.6	-176.5	172	0	111.5	K259 K260 A265 S266 E267 Y276	K259-K263 VanDerWaalsContact O-CB 3.31Å; K259-K263 WeakPolarHBondContact O-CB 3.45Å; K259-K263 PolarHBondContact O-N 2.7Å; K260-K263 PolarHBondContact O-N 3.19Å; K263-A265 VanDerWaalsContact C-N 3.31Å; K263-A265 PolarHBondContact O-N 3.34Å; K263-S266 PolarHBondContact O-N 3.08Å; K263-S266 VanDerWaalsContact O-N 3.11Å; K263-S266 PolarHBondContact O-OG 3.4Å; K263-E267 WeakPolarHBondContact CE-OE1 3.44Å; K263-E267 PolarHBondContact O-N 3.17Å; K263-Y276 HydrophobicContact CB-CD1 4.04Å; K263-Y276 HydrophobicContact CB-CD2 3.82Å; K263-Y276 HydrophobicContact CB-CE1 4.15Å; K263-Y276 HydrophobicContact CB-CE2 3.94Å; K263-Y276 HydrophobicContact CB-CG 3.87Å; K263-Y276 HydrophobicContact CD-CD1 3.97Å; K263-Y276 HydrophobicContact CD-CE1 3.76Å; K263-Y276 HydrophobicContact CG-CD1 3.84Å; K263-Y276 HydrophobicContact CG-CD2 4.5Å; K263-Y276 HydrophobicContact CG-CE1 4.08Å; K263-Y276 HydrophobicContact CG-CG 4.07Å
264	Q	98.9	Very high	98.7	Very high	130 Å²	130	61.2 Å²	61.2	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-58.6	-41.9	177.2	-176	179.5	-0.7	0	0	112.1	K260 V261 E267 G268	K260-Q264 WeakPolarHBondContact O-CB 3.35Å; K260-Q264 PolarHBondContact O-N 3.37Å; V261-Q264 PolarHBondContact O-N 2.91Å; Q264-E267 PolarHBondContact O-N 3.07Å; Q264-G268 PolarHBondContact O-N 2.98Å
265	A	98.8	Very high	98.7	Very high	10 Å²	10	56.2 Å²	56.2	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-40.3	176.3	0	0	0	0	0	112.2	V163 V261 V262 K263 E267 G268 L270 L274	V163-A265 HydrophobicContact CB-CB 4.45Å; V163-A265 HydrophobicContact CG1-CB 4.06Å; V163-A265 HydrophobicContact CG2-CB 3.47Å; V163-A265 VanDerWaalsContact CG2-CB 3.47Å; V261-A265 WeakPolarHBondContact O-CB 3.37Å; V261-A265 PolarHBondContact O-N 3.36Å; V262-A265 PolarHBondContact O-N 3.28Å; K263-A265 VanDerWaalsContact C-N 3.31Å; K263-A265 PolarHBondContact O-N 3.34Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-E267 PolarHBondContact O-N 3.17Å; A265-G268 CarbonylContact O-C 3.54Å; A265-G268 PolarHBondContact O-N 2.88Å; A265-L270 HydrophobicContact CB-CD1 4.31Å; A265-L270 WeakPolarHBondContact O-CA 3.27Å; A265-L270 WeakPolarHBondContact O-CB 3.33Å; A265-L270 PolarHBondContact O-N 2.95Å; A265-L274 HydrophobicContact CB-CD2 4.27Å
266	S	98.8	Very high	98.7	Very high	15 Å²	15	56.2 Å²	56.2	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-31.1	177.8	76.3	0	0	0	0	113.7	V262 K263 K271 L274 Y276	V262-S266 PolarHBondContact O-N 2.95Å; K263-S266 PolarHBondContact O-N 3.08Å; K263-S266 VanDerWaalsContact O-N 3.11Å; K263-S266 PolarHBondContact O-OG 3.4Å; S266-K271 WeakPolarHBondContact O-CA 3.5Å; S266-K271 WeakPolarHBondContact O-CB 3.44Å; S266-L274 VanDerWaalsContact CA-O 3.23Å; S266-L274 WeakPolarHBondContact CA-O 3.35Å; S266-L274 WeakPolarHBondContact CB-O 3.49Å; S266-Y276 WeakPolarHBondContact OG-CB 3.28Å
267	E	98.6	Very high	98.8	Very high	127 Å²	127	52 Å²	52	59%	0.593	28%	0.275	S	S	*	.	H	α-helix	trans	-88.9	-15.2	178.8	-68.4	171.8	175.1	0	0	112.4	K263 Q264 A265	K263-E267 WeakPolarHBondContact CE-OE1 3.44Å; K263-E267 PolarHBondContact O-N 3.17Å; Q264-E267 PolarHBondContact O-N 3.07Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-E267 PolarHBondContact O-N 3.17Å
268	G	98.5	Very high	98.8	Very high	40 Å²	40	53.3 Å²	53.3	41%	0.412	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-114.2	-177.2	0	0	0	0	0	113.5	Q264 A265 L270 K271	Q264-G268 PolarHBondContact O-N 2.98Å; A265-G268 CarbonylContact O-C 3.54Å; A265-G268 PolarHBondContact O-N 2.88Å; G268-L270 PolarHBondContact O-N 2.83Å; G268-L270 VanDerWaalsContact O-N 3.16Å; G268-K271 WeakPolarHBondContact O-CB 3.31Å; G268-K271 PolarHBondContact O-N 3.45Å; G268-K271 VanDerWaalsContact O-N 3.16Å
269	P	97.9	Very high	98.7	Very high	119 Å²	119	60.1 Å²	60.1	77%	0.773	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	-167	26.7	-36.2	0	0	0	114.8
270	L	98.8	Very high	98.7	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.047	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	16.8	179.7	-63.7	177.4	0	0	0	112.9	G134 P159 V163 A265 G268 G272 I273 L274	G134-L270 VanDerWaalsContact O-CD2 3.29Å; G134-L270 WeakPolarHBondContact O-CD2 3.35Å; P159-L270 HydrophobicContact CB-CD1 4.22Å; V163-L270 HydrophobicContact CG2-CD1 3.57Å; A265-L270 HydrophobicContact CB-CD1 4.31Å; A265-L270 WeakPolarHBondContact O-CA 3.27Å; A265-L270 WeakPolarHBondContact O-CB 3.33Å; A265-L270 PolarHBondContact O-N 2.95Å; G268-L270 PolarHBondContact O-N 2.83Å; G268-L270 VanDerWaalsContact O-N 3.16Å; L270-G272 PolarHBondContact O-N 2.85Å; L270-I273 WeakPolarHBondContact O-CA 3.18Å; L270-I273 WeakPolarHBondContact O-CB 3.48Å; L270-I273 PolarHBondContact O-N 3.28Å; L270-L274 HydrophobicContact CB-CB 3.76Å; L270-L274 HydrophobicContact CD1-CB 4.14Å; L270-L274 HydrophobicContact CD1-CD2 3.84Å; L270-L274 PolarHBondContact O-N 3.5Å
271	K	98.7	Very high	98.7	Very high	161 Å²	161	61.1 Å²	61.1	70%	0.7	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	128.8	177.1	-174.5	174.3	-178.7	174.3	0	111.7	S266 G268 I273	S266-K271 WeakPolarHBondContact O-CA 3.5Å; S266-K271 WeakPolarHBondContact O-CB 3.44Å; G268-K271 WeakPolarHBondContact O-CB 3.31Å; G268-K271 PolarHBondContact O-N 3.45Å; G268-K271 VanDerWaalsContact O-N 3.16Å; K271-I273 PolarHBondContact O-N 3.4Å
272	G	98.3	Very high	98.7	Very high	29 Å²	29	63.9 Å²	63.9	30%	0.299	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-4.7	-175.4	0	0	0	0	0	114.9	L270	L270-G272 PolarHBondContact O-N 2.85Å
273	I	98.9	Very high	98.7	Very high	21 Å²	21	65.6 Å²	65.6	11%	0.108	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-54.1	173.1	-55.4	-63	0	0	0	110.2	M133 P159 L270 K271 S292 S293	M133-I273 HydrophobicContact CB-CD1 4.01Å; P159-I273 HydrophobicContact CB-CG2 4.3Å; P159-I273 HydrophobicContact CG-CG2 3.91Å; L270-I273 WeakPolarHBondContact O-CA 3.18Å; L270-I273 WeakPolarHBondContact O-CB 3.48Å; L270-I273 PolarHBondContact O-N 3.28Å; K271-I273 PolarHBondContact O-N 3.4Å; I273-S292 WeakPolarHBondContact O-CB 3.38Å; I273-S292 PolarHBondContact O-N 3.48Å; I273-S293 PolarHBondContact O-N 3.4Å; I273-S293 VanDerWaalsContact O-N 3.15Å
274	L	98.9	Very high	98.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.7	176	-179.6	61.4	0	0	0	108.9	P159 V163 V262 A265 S266 L270 S293	P159-L274 HydrophobicContact CB-CB 4.44Å; V163-L274 HydrophobicContact CG2-CD2 3.89Å; V262-L274 HydrophobicContact CG1-CD2 4.18Å; A265-L274 HydrophobicContact CB-CD2 4.27Å; S266-L274 VanDerWaalsContact CA-O 3.23Å; S266-L274 WeakPolarHBondContact CA-O 3.35Å; S266-L274 WeakPolarHBondContact CB-O 3.49Å; L270-L274 HydrophobicContact CB-CB 3.76Å; L270-L274 HydrophobicContact CD1-CB 4.14Å; L270-L274 HydrophobicContact CD1-CD2 3.84Å; L270-L274 PolarHBondContact O-N 3.5Å; L274-S293 CarbonylContact C-O 3.53Å; L274-S293 VanDerWaalsContact CA-O 3.25Å; L274-S293 WeakPolarHBondContact CA-O 3.14Å
275	G	98.9	Very high	98.7	Very high	9 Å²	9	63.2 Å²	63.2	9%	0.093	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	167.7	169.2	0	0	0	0	0	112.1	S293 F295	G275-S293 PolarHBondContact N-O 2.91Å; G275-F295 PolarHBondContact O-N 2.6Å
276	Y	98.9	Very high	98.7	Very high	41 Å²	41	63.3 Å²	63.3	16%	0.161	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.4	177.7	176.7	-88.1	0	0	0	109.6	K259 V262 K263 S266 E278 F295 A297	K259-Y276 HydrophobicContact CB-CE2 4.2Å; K259-Y276 WeakPolarHBondContact CE-OH 3.42Å; K259-Y276 HydrophobicContact CG-CE2 4.5Å; K259-Y276 WeakPolarHBondContact O-CE2 3.29Å; V262-Y276 HydrophobicContact CB-CD2 4.44Å; V262-Y276 HydrophobicContact CG1-CD2 4.13Å; K263-Y276 HydrophobicContact CB-CD1 4.04Å; K263-Y276 HydrophobicContact CB-CD2 3.82Å; K263-Y276 HydrophobicContact CB-CE1 4.15Å; K263-Y276 HydrophobicContact CB-CE2 3.94Å; K263-Y276 HydrophobicContact CB-CG 3.87Å; K263-Y276 HydrophobicContact CD-CD1 3.97Å; K263-Y276 HydrophobicContact CD-CE1 3.76Å; K263-Y276 HydrophobicContact CG-CD1 3.84Å; K263-Y276 HydrophobicContact CG-CD2 4.5Å; K263-Y276 HydrophobicContact CG-CE1 4.08Å; K263-Y276 HydrophobicContact CG-CG 4.07Å; S266-Y276 WeakPolarHBondContact OG-CB 3.28Å; Y276-E278 HydrophobicContact CE1-CG 3.77Å; Y276-E278 WeakPolarHBondContact OH-CG 3.35Å; Y276-E278 PolarHBondContact OH-OE1 2.82Å; Y276-F295 AromaticContact CD2-CD1 3.66Å; Y276-F295 HydrophobicContact CD2-CD1 3.66Å; Y276-F295 HydrophobicContact CD2-CE1 4.37Å; Y276-F295 AromaticContact CE2-CD1 3.72Å; Y276-F295 HydrophobicContact CE2-CD1 3.72Å; Y276-F295 AromaticContact CE2-CE1 3.98Å; Y276-F295 HydrophobicContact CE2-CE1 3.98Å; Y276-A297 HydrophobicContact CE2-CB 3.93Å
277	T	98.9	Very high	98.7	Very high	15 Å²	15	66 Å²	66	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146	175.3	-173.3	0	0	0	0	112.3	H279 V281 T294 F295 A297	T277-H279 PolarHBondContact OG1-N 3.45Å; T277-H279 VanDerWaalsContact OG1-N 3.12Å; T277-V281 HydrophobicContact CG2-CG2 4.05Å; T277-T294 HydrophobicContact CG2-CG2 4.17Å; T277-F295 PolarHBondContact N-O 3.41Å; T277-A297 VanDerWaalsContact O-CB 3.3Å; T277-A297 WeakPolarHBondContact O-CB 3.28Å; T277-A297 PolarHBondContact O-N 2.84Å
278	E	98.8	Very high	98.7	Very high	105 Å²	105	62.1 Å²	62.1	49%	0.491	35%	0.348	S	S	.	.			trans	-113.4	1.4	168	-71.2	179.8	148.1	0	0	111.6	K259 Y276 A297	K259-E278 WeakPolarHBondContact CE-OE1 3.49Å; K259-E278 IonicContact NZ-OE1 2.76Å; K259-E278 PolarHBondContact NZ-OE1 3.01Å; Y276-E278 HydrophobicContact CE1-CG 3.77Å; Y276-E278 WeakPolarHBondContact OH-CG 3.35Å; Y276-E278 PolarHBondContact OH-OE1 2.82Å; E278-A297 HydrophobicContact CG-CB 3.8Å
279	H	98.7	Very high	98.7	Very high	143 Å²	143	62.2 Å²	62.2	66%	0.662	34%	0.339	S	S	*	.	S	Bend	trans	-70.6	151.7	176.6	-63.2	-59.2	0	0	0	110.9	T277 V281	T277-H279 PolarHBondContact OG1-N 3.45Å; T277-H279 VanDerWaalsContact OG1-N 3.12Å; H279-V281 HydrophobicContact CB-CG1 3.84Å; H279-V281 PolarHBondContact O-N 3.34Å
280	Q	98.6	Very high	98.8	Very high	176 Å²	176	59.2 Å²	59.2	82%	0.822	32%	0.318	S	S	*	.			trans	-77.7	73.5	174.6	-64.9	-64.7	-60.9	0	0	110
281	V	98.8	Very high	98.8	Very high	29 Å²	29	61.1 Å²	61.1	18%	0.176	33%	0.327	C	S	.	.			trans	-88.4	158.8	-174.9	-66.5	0	0	0	0	112.5	T277 H279 D285 F286 D296	T277-V281 HydrophobicContact CG2-CG2 4.05Å; H279-V281 HydrophobicContact CB-CG1 3.84Å; H279-V281 PolarHBondContact O-N 3.34Å; V281-D285 VanDerWaalsContact CA-OD2 3.32Å; V281-D285 WeakPolarHBondContact CA-OD2 3.46Å; V281-D285 HydrophobicContact CB-CB 4.41Å; V281-D285 HydrophobicContact CG1-CB 4.49Å; V281-F286 HydrophobicContact CB-CE2 3.94Å; V281-F286 HydrophobicContact CB-CZ 4.03Å; V281-F286 HydrophobicContact CG1-CZ 4.43Å; V281-F286 HydrophobicContact CG2-CE2 3.75Å; V281-F286 HydrophobicContact CG2-CZ 3.64Å; V281-D296 WeakPolarHBondContact CG2-OD2 3.22Å
282	V	98.9	Very high	98.8	Very high	80 Å²	80	53.6 Å²	53.6	49%	0.485	30%	0.295	S	S	.	.			trans	-129.7	174.6	170.2	-63.9	0	0	0	0	110.3	S284 D285 F286	V282-S284 VanDerWaalsContact C-N 3.27Å; V282-S284 PolarHBondContact O-N 3.24Å; V282-S284 VanDerWaalsContact O-N 3.16Å; V282-D285 PolarHBondContact N-OD2 3.44Å; V282-D285 WeakPolarHBondContact O-CB 3.34Å; V282-D285 PolarHBondContact O-N 2.78Å; V282-D285 VanDerWaalsContact O-N 3.08Å; V282-F286 WeakPolarHBondContact O-CD2 3.48Å
283	S	98.9	Very high	98.8	Very high	37 Å²	37	52.2 Å²	52.2	26%	0.259	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-54.1	-40.3	-174.5	59.5	0	0	0	0	113.7	V240 D285 F286	V240-S283 WeakPolarHBondContact CG1-O 3.44Å; V240-S283 WeakPolarHBondContact CG2-O 3.38Å; S283-D285 PolarHBondContact O-N 3.42Å; S283-F286 PolarHBondContact O-N 2.9Å; S283-F286 VanDerWaalsContact O-N 3.15Å
284	S	98.8	Very high	98.8	Very high	65 Å²	65	51.7 Å²	51.7	46%	0.455	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-63.8	-23.1	-177.4	51.5	0	0	0	0	114.3	V282 F286 N287	V282-S284 VanDerWaalsContact C-N 3.27Å; V282-S284 PolarHBondContact O-N 3.24Å; V282-S284 VanDerWaalsContact O-N 3.16Å; S284-F286 PolarHBondContact O-N 2.9Å; S284-N287 WeakPolarHBondContact CA-ND2 3.2Å; S284-N287 WeakPolarHBondContact O-CB 3.47Å; S284-N287 PolarHBondContact O-N 3.01Å; S284-N287 PolarHBondContact O-ND2 3Å; S284-N287 VanDerWaalsContact O-ND2 3.08Å
285	D	98.8	Very high	98.8	Very high	96 Å²	96	51.7 Å²	51.7	51%	0.513	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-71.3	-14.6	-179.5	-56.5	-32.5	0	0	0	112.1	V281 V282 S283	V281-D285 VanDerWaalsContact CA-OD2 3.32Å; V281-D285 WeakPolarHBondContact CA-OD2 3.46Å; V281-D285 HydrophobicContact CB-CB 4.41Å; V281-D285 HydrophobicContact CG1-CB 4.49Å; V282-D285 PolarHBondContact N-OD2 3.44Å; V282-D285 WeakPolarHBondContact O-CB 3.34Å; V282-D285 PolarHBondContact O-N 2.78Å; V282-D285 VanDerWaalsContact O-N 3.08Å; S283-D285 PolarHBondContact O-N 3.42Å
286	F	98.9	Very high	98.8	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.053	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-101.9	7.3	177.2	-56.8	-78.5	0	0	0	113.4	V240 V281 V282 S283 S284 S288 D289 T294 W313	V240-F286 HydrophobicContact CG1-CB 3.94Å; V240-F286 HydrophobicContact CG1-CD2 4.46Å; V240-F286 HydrophobicContact CG2-CB 4.13Å; V281-F286 HydrophobicContact CB-CE2 3.94Å; V281-F286 HydrophobicContact CB-CZ 4.03Å; V281-F286 HydrophobicContact CG1-CZ 4.43Å; V281-F286 HydrophobicContact CG2-CE2 3.75Å; V281-F286 HydrophobicContact CG2-CZ 3.64Å; V282-F286 WeakPolarHBondContact O-CD2 3.48Å; S283-F286 PolarHBondContact O-N 2.9Å; S283-F286 VanDerWaalsContact O-N 3.15Å; S284-F286 PolarHBondContact O-N 2.9Å; F286-S288 PolarHBondContact O-N 3.46Å; F286-D289 HydrophobicContact CB-CB 4.25Å; F286-D289 VanDerWaalsContact O-CB 3.24Å; F286-D289 WeakPolarHBondContact O-CB 3.27Å; F286-D289 PolarHBondContact O-N 3.42Å; F286-T294 HydrophobicContact CE1-CG2 3.61Å; F286-T294 HydrophobicContact CZ-CG2 4.3Å; F286-W313 HydrophobicContact CD1-CB 4.06Å; F286-W313 HydrophobicContact CD2-CB 3.69Å; F286-W313 AromaticContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CE3 4.14Å; F286-W313 AromaticContact CD2-CG 3.65Å; F286-W313 HydrophobicContact CD2-CG 3.65Å; F286-W313 HydrophobicContact CE1-CB 3.95Å; F286-W313 HydrophobicContact CE1-CG 4.29Å; F286-W313 HydrophobicContact CE2-CB 3.56Å; F286-W313 AromaticContact CE2-CD1 3.31Å; F286-W313 AromaticContact CE2-CD2 3.53Å; F286-W313 HydrophobicContact CE2-CD2 3.53Å; F286-W313 AromaticContact CE2-CE2 3.87Å; F286-W313 HydrophobicContact CE2-CE3 4.26Å; F286-W313 AromaticContact CE2-CG 3.16Å; F286-W313 HydrophobicContact CE2-CG 3.16Å; F286-W313 AromaticContact CE2-NE1 3.71Å; F286-W313 HydrophobicContact CG-CB 3.91Å; F286-W313 HydrophobicContact CG-CG 4.37Å; F286-W313 HydrophobicContact CZ-CB 3.67Å; F286-W313 AromaticContact CZ-CD1 3.36Å; F286-W313 HydrophobicContact CZ-CD2 4.33Å; F286-W313 AromaticContact CZ-CG 3.51Å; F286-W313 HydrophobicContact CZ-CG 3.51Å
287	N	98.8	Very high	98.8	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	123.7	176.8	-82.6	-45.6	0	0	0	110.8	S284 D289	S284-N287 WeakPolarHBondContact CA-ND2 3.2Å; S284-N287 WeakPolarHBondContact O-CB 3.47Å; S284-N287 PolarHBondContact O-N 3.01Å; S284-N287 PolarHBondContact O-ND2 3Å; S284-N287 VanDerWaalsContact O-ND2 3.08Å; N287-D289 PolarHBondContact O-N 3.2Å
288	S	98.6	Very high	98.8	Very high	45 Å²	45	51.6 Å²	51.6	32%	0.315	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	18.8	-174.8	-37.7	0	0	0	0	114.2	H53 F286 D315 F318	H53-S288 PolarHBondContact ND1-OG 2.66Å; F286-S288 PolarHBondContact O-N 3.46Å; S288-D315 WeakPolarHBondContact CA-OD2 3.34Å; S288-D315 PolarHBondContact N-OD2 3.36Å; S288-F318 VanDerWaalsContact C-CD1 3.48Å; S288-F318 WeakPolarHBondContact O-CD1 3.29Å; S288-F318 WeakPolarHBondContact O-CE1 3.38Å
289	D	98.8	Very high	98.8	Very high	43 Å²	43	49 Å²	49	23%	0.23	29%	0.287	C	S	.	.			trans	-67.3	135.8	169	-173	-70.8	0	0	0	109.7	F286 N287 H291 G319	F286-D289 HydrophobicContact CB-CB 4.25Å; F286-D289 VanDerWaalsContact O-CB 3.24Å; F286-D289 WeakPolarHBondContact O-CB 3.27Å; F286-D289 PolarHBondContact O-N 3.42Å; N287-D289 PolarHBondContact O-N 3.2Å; D289-H291 WeakPolarHBondContact OD1-CA 3.41Å; D289-H291 WeakPolarHBondContact OD1-CB 3.2Å; D289-H291 IonicContact OD1-CG 3.69Å; D289-H291 PolarHBondContact OD1-N 2.79Å; D289-H291 IonicContact OD1-ND1 3.66Å; D289-H291 PolarHBondContact OD1-ND1 2.72Å; D289-H291 IonicContact OD2-ND1 2.77Å; D289-H291 PolarHBondContact OD2-ND1 3.13Å; D289-G319 PolarHBondContact O-N 2.95Å
290	T	98.8	Very high	98.8	Very high	56 Å²	56	42.9 Å²	42.9	34%	0.344	26%	0.262	S	S	.	.			trans	-90.1	-8.4	-174.2	57.9	0	0	0	0	114.2	F318 R323	T290-F318 HydrophobicContact CG2-CD1 3.93Å; T290-F318 HydrophobicContact CG2-CE1 3.73Å; T290-R323 PolarHBondContact O-NH1 2.92Å; T290-R323 PolarHBondContact O-NH2 3.46Å
291	H	98.9	Very high	98.8	Very high	48 Å²	48	39.8 Å²	39.8	22%	0.222	25%	0.25	C	C	.	.			trans	-69.1	153.7	179.1	-61.5	88.6	0	0	0	110.6	D289 G319	D289-H291 WeakPolarHBondContact OD1-CA 3.41Å; D289-H291 WeakPolarHBondContact OD1-CB 3.2Å; D289-H291 IonicContact OD1-CG 3.69Å; D289-H291 PolarHBondContact OD1-N 2.79Å; D289-H291 IonicContact OD1-ND1 3.66Å; D289-H291 PolarHBondContact OD1-ND1 2.72Å; D289-H291 IonicContact OD2-ND1 2.77Å; D289-H291 PolarHBondContact OD2-ND1 3.13Å; H291-G319 WeakPolarHBondContact O-CA 3.28Å
292	S	98.9	Very high	98.8	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	26%	0.256	C	S	.	.	S	Bend	trans	-77.5	-30.8	171	-60.2	0	0	0	0	111.8	N155 C156 I273 Y314 R323	N155-S292 VanDerWaalsContact O-CB 3.28Å; N155-S292 WeakPolarHBondContact O-CB 3.24Å; C156-S292 WeakPolarHBondContact CA-O 3.39Å; C156-S292 WeakPolarHBondContact CB-O 3.37Å; I273-S292 WeakPolarHBondContact O-CB 3.38Å; I273-S292 PolarHBondContact O-N 3.48Å; S292-Y314 VanDerWaalsContact O-CB 3.31Å; S292-Y314 WeakPolarHBondContact O-CB 3.43Å; S292-R323 WeakPolarHBondContact OG-CD 3.14Å; S292-R323 WeakPolarHBondContact OG-CG 3.37Å; S292-R323 PolarHBondContact OG-NH1 3.39Å; S292-R323 VanDerWaalsContact OG-NH1 3.09Å
293	S	98.9	Very high	98.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	131	-170.1	-162.8	0	0	0	0	107.7	C156 I273 L274 G275 S312 W313	C156-S293 VanDerWaalsContact O-CB 3.24Å; C156-S293 WeakPolarHBondContact O-CB 3.46Å; C156-S293 PolarHBondContact O-OG 2.87Å; I273-S293 PolarHBondContact O-N 3.4Å; I273-S293 VanDerWaalsContact O-N 3.15Å; L274-S293 CarbonylContact C-O 3.53Å; L274-S293 VanDerWaalsContact CA-O 3.25Å; L274-S293 WeakPolarHBondContact CA-O 3.14Å; G275-S293 PolarHBondContact N-O 2.91Å; S293-S312 PolarHBondContact OG-OG 3.31Å; S293-W313 CarbonylContact C-O 3.53Å; S293-W313 WeakPolarHBondContact CA-O 3.37Å
294	T	98.9	Very high	98.8	Very high	10 Å²	10	44.7 Å²	44.7	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	108	170.7	-61.8	0	0	0	0	109.5	T277 F286 D296 S312 W313	T277-T294 HydrophobicContact CG2-CG2 4.17Å; F286-T294 HydrophobicContact CE1-CG2 3.61Å; F286-T294 HydrophobicContact CZ-CG2 4.3Å; T294-D296 PolarHBondContact O-N 2.95Å; T294-S312 PolarHBondContact N-OG 3.43Å; T294-S312 VanDerWaalsContact N-OG 3.08Å; T294-S312 CarbonylContact O-C 3.56Å; T294-S312 WeakPolarHBondContact O-CA 3.44Å; T294-S312 PolarHBondContact O-OG 2.77Å; T294-W313 PolarHBondContact N-O 3.38Å; T294-W313 PolarHBondContact O-N 2.8Å
295	F	98.9	Very high	98.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.6	-177.9	177.2	-103.7	0	0	0	111.1	L160 K259 V262 G275 Y276 T277 A297 L310 I311	L160-F295 HydrophobicContact CD1-CD2 3.96Å; L160-F295 HydrophobicContact CD2-CD2 4.47Å; K259-F295 HydrophobicContact CG-CE1 4.21Å; V262-F295 HydrophobicContact CB-CD1 4.27Å; V262-F295 HydrophobicContact CB-CG 4.49Å; V262-F295 HydrophobicContact CG1-CB 3.57Å; V262-F295 HydrophobicContact CG1-CD1 3.76Å; V262-F295 HydrophobicContact CG1-CD2 4.38Å; V262-F295 HydrophobicContact CG1-CG 3.65Å; G275-F295 PolarHBondContact O-N 2.6Å; Y276-F295 AromaticContact CD2-CD1 3.66Å; Y276-F295 HydrophobicContact CD2-CD1 3.66Å; Y276-F295 HydrophobicContact CD2-CE1 4.37Å; Y276-F295 AromaticContact CE2-CD1 3.72Å; Y276-F295 HydrophobicContact CE2-CD1 3.72Å; Y276-F295 AromaticContact CE2-CE1 3.98Å; Y276-F295 HydrophobicContact CE2-CE1 3.98Å; T277-F295 PolarHBondContact N-O 3.41Å; F295-A297 HydrophobicContact CD1-CB 4.21Å; F295-A297 HydrophobicContact CE1-CB 3.79Å; F295-L310 HydrophobicContact CE2-CB 4.05Å; F295-L310 HydrophobicContact CE2-CD2 4.01Å; F295-L310 HydrophobicContact CZ-CD2 4.31Å; F295-I311 VanDerWaalsContact CD2-O 3.29Å; F295-I311 WeakPolarHBondContact CD2-O 3.31Å
296	D	98.9	Very high	98.8	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	101.4	176.7	-170.8	-32.6	0	0	0	109.2	V281 T294 G298 A299 I311 W313	V281-D296 WeakPolarHBondContact CG2-OD2 3.22Å; T294-D296 PolarHBondContact O-N 2.95Å; D296-G298 VanDerWaalsContact C-N 3.26Å; D296-G298 PolarHBondContact O-N 2.83Å; D296-G298 PolarHBondContact OD1-N 2.8Å; D296-A299 HydrophobicContact CB-CB 3.98Å; D296-A299 WeakPolarHBondContact OD1-CB 3.49Å; D296-A299 PolarHBondContact OD1-N 3.48Å; D296-I311 HydrophobicContact CB-CB 4.3Å; D296-I311 HydrophobicContact CB-CG2 4.18Å; D296-I311 PolarHBondContact N-O 2.79Å; D296-W313 PolarHBondContact OD2-NE1 3.13Å
297	A	98.8	Very high	98.8	Very high	8 Å²	8	46.3 Å²	46.3	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-21.7	-177.2	0	0	0	0	0	113.1	Y255 K259 Y276 T277 E278 F295	Y255-A297 WeakPolarHBondContact CE1-O 3.4Å; K259-A297 HydrophobicContact CD-CB 4.11Å; K259-A297 HydrophobicContact CG-CB 3.92Å; Y276-A297 HydrophobicContact CE2-CB 3.93Å; T277-A297 VanDerWaalsContact O-CB 3.3Å; T277-A297 WeakPolarHBondContact O-CB 3.28Å; T277-A297 PolarHBondContact O-N 2.84Å; E278-A297 HydrophobicContact CG-CB 3.8Å; F295-A297 HydrophobicContact CD1-CB 4.21Å; F295-A297 HydrophobicContact CE1-CB 3.79Å
298	G	98.5	Very high	98.8	Very high	47 Å²	47	43 Å²	43	49%	0.485	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-26.3	179.7	0	0	0	0	0	113.2	D296	D296-G298 VanDerWaalsContact C-N 3.26Å; D296-G298 PolarHBondContact O-N 2.83Å; D296-G298 PolarHBondContact OD1-N 2.8Å
299	A	98.8	Very high	98.8	Very high	51 Å²	51	43.8 Å²	43.8	42%	0.421	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-19.5	-174.3	0	0	0	0	0	114.9	D296 I311	D296-A299 HydrophobicContact CB-CB 3.98Å; D296-A299 WeakPolarHBondContact OD1-CB 3.49Å; D296-A299 PolarHBondContact OD1-N 3.48Å; A299-I311 HydrophobicContact CB-CB 3.97Å; A299-I311 HydrophobicContact CB-CG1 3.91Å; A299-I311 HydrophobicContact CB-CG2 4.01Å
300	G	98.7	Very high	98.8	Very high	14 Å²	14	41.8 Å²	41.8	14%	0.144	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	170	176.5	0	0	0	0	0	113.4	Y255 K309	Y255-G300 WeakPolarHBondContact OH-CA 3.21Å; G300-K309 CarbonylContact C-O 3.55Å; G300-K309 VanDerWaalsContact CA-O 3.24Å; G300-K309 WeakPolarHBondContact CA-O 3.29Å
301	I	98.8	Very high	98.8	Very high	110 Å²	110	40 Å²	40	56%	0.564	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-152.8	140.9	-177.1	-169.9	166.5	0	0	0	111	K309	I301-K309 HydrophobicContact CG2-CB 3.96Å; I301-K309 HydrophobicContact CG2-CD 4.32Å; I301-K309 PolarHBondContact N-O 2.91Å; I301-K309 PolarHBondContact O-N 3.48Å
302	A	98.8	Very high	98.8	Very high	38 Å²	38	37.8 Å²	37.8	31%	0.314	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.2	171.5	0	0	0	0	0	110.1	Y255 V308	Y255-A302 HydrophobicContact CD2-CB 4.08Å; A302-V308 HydrophobicContact CB-CG1 3.8Å
303	L	98.6	Very high	98.8	Very high	137 Å²	137	39.4 Å²	39.4	72%	0.717	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	-41.7	168.9	179.6	63.7	0	0	0	110.4	F307	L303-F307 HydrophobicContact CB-CD1 4.06Å; L303-F307 HydrophobicContact CD2-CD1 3.78Å; L303-F307 HydrophobicContact CD2-CE1 4.37Å; L303-F307 PolarHBondContact N-O 2.83Å
304	N	98.7	Very high	98.8	Very high	75 Å²	75	39.7 Å²	39.7	40%	0.401	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	177.5	173.7	60.3	61.2	0	0	0	108.6	H306 F307	N304-H306 PolarHBondContact O-N 3.31Å; N304-H306 WeakPolarHBondContact OD1-CA 3.45Å; N304-H306 PolarHBondContact OD1-N 3.48Å; N304-F307 PolarHBondContact N-O 3.21Å; N304-F307 PolarHBondContact O-N 3.11Å; N304-F307 VanDerWaalsContact O-N 3.13Å; N304-F307 PolarHBondContact OD1-N 2.94Å
305	D	98.8	Very high	98.8	Very high	56 Å²	56	39.3 Å²	39.3	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.7	-174.6	-60.4	-4.1	0	0	0	114.1	P252 A253 K254	P252-D305 CarbonylContact C-O 3.51Å; P252-D305 WeakPolarHBondContact CA-O 3.26Å; P252-D305 HydrophobicContact CB-CB 3.74Å; A253-D305 PolarHBondContact N-O 3.48Å; A253-D305 WeakPolarHBondContact O-CA 3.43Å; K254-D305 WeakPolarHBondContact CD-OD1 3.24Å; K254-D305 WeakPolarHBondContact CE-OD2 3.36Å; K254-D305 IonicContact NZ-OD1 2.71Å; K254-D305 PolarHBondContact NZ-OD1 3.21Å; K254-D305 IonicContact NZ-OD2 3.87Å; K254-D305 PolarHBondContact NZ-OD2 3.21Å
306	H	98.8	Very high	98.8	Very high	76 Å²	76	39.8 Å²	39.8	35%	0.352	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-7.2	178.6	-74.1	-86.9	0	0	0	114.1	R248 L249 E250 P252 N304	R248-H306 CarbonylContact C-O 3.5Å; R248-H306 VanDerWaalsContact CA-O 3.23Å; R248-H306 WeakPolarHBondContact CA-O 3.46Å; L249-H306 PolarHBondContact N-O 2.89Å; L249-H306 PolarHBondContact O-ND1 2.79Å; E250-H306 PolarHBondContact O-CE1 2.81Å; E250-H306 VanDerWaalsContact O-CE1 3.22Å; E250-H306 PolarHBondContact O-ND1 2.99Å; P252-H306 VanDerWaalsContact N-CE1 3.34Å; N304-H306 PolarHBondContact O-N 3.31Å; N304-H306 WeakPolarHBondContact OD1-CA 3.45Å; N304-H306 PolarHBondContact OD1-N 3.48Å
307	F	98.9	Very high	98.8	Very high	74 Å²	74	40 Å²	40	33%	0.325	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	111.7	-174.7	-168.2	-121.8	0	0	0	111.6	T246 C247 R248 L303 N304	T246-F307 HydrophobicContact CG2-CE1 4.11Å; T246-F307 HydrophobicContact CG2-CE2 3.61Å; T246-F307 HydrophobicContact CG2-CZ 3.35Å; C247-F307 WeakPolarHBondContact O-CD2 3.45Å; R248-F307 HydrophobicContact CB-CD2 4.4Å; R248-F307 HydrophobicContact CG-CD2 3.34Å; R248-F307 HydrophobicContact CG-CE2 3.79Å; R248-F307 HydrophobicContact CG-CG 4.33Å; L303-F307 HydrophobicContact CB-CD1 4.06Å; L303-F307 HydrophobicContact CD2-CD1 3.78Å; L303-F307 HydrophobicContact CD2-CE1 4.37Å; L303-F307 PolarHBondContact N-O 2.83Å; N304-F307 PolarHBondContact N-O 3.21Å; N304-F307 PolarHBondContact O-N 3.11Å; N304-F307 VanDerWaalsContact O-N 3.13Å; N304-F307 PolarHBondContact OD1-N 2.94Å
308	V	98.9	Very high	98.8	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.7	-167.8	-58.2	0	0	0	0	111.9	T246 C247 L249 I258 A302 L310	T246-V308 WeakPolarHBondContact CA-O 3.3Å; C247-V308 PolarHBondContact N-O 3.35Å; C247-V308 PolarHBondContact O-N 3.31Å; C247-V308 VanDerWaalsContact O-N 3.14Å; L249-V308 HydrophobicContact CD1-CG2 4.19Å; L249-V308 HydrophobicContact CG-CG2 4.35Å; I258-V308 HydrophobicContact CD1-CB 4.31Å; I258-V308 HydrophobicContact CD1-CG1 3.79Å; I258-V308 HydrophobicContact CD1-CG2 4.13Å; A302-V308 HydrophobicContact CB-CG1 3.8Å; V308-L310 HydrophobicContact CB-CD2 4.4Å; V308-L310 HydrophobicContact CG2-CD1 4.34Å; V308-L310 HydrophobicContact CG2-CD2 4.08Å; V308-L310 HydrophobicContact CG2-CG 4.05Å
309	K	98.9	Very high	98.8	Very high	62 Å²	62	38.4 Å²	38.4	27%	0.27	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.9	169.9	177	175.2	-63.6	-69	0	109	D244 L245 T246 G300 I301 I311	D244-K309 VanDerWaalsContact OD1-CG 3.3Å; D244-K309 WeakPolarHBondContact OD1-CG 3Å; D244-K309 IonicContact OD1-NZ 3.39Å; D244-K309 PolarHBondContact OD1-NZ 2.88Å; D244-K309 IonicContact OD2-NZ 2.68Å; D244-K309 PolarHBondContact OD2-NZ 3.26Å; L245-K309 CarbonylContact O-C 3.52Å; L245-K309 WeakPolarHBondContact O-CA 3.32Å; T246-K309 PolarHBondContact OG1-NZ 2.83Å; G300-K309 CarbonylContact C-O 3.55Å; G300-K309 VanDerWaalsContact CA-O 3.24Å; G300-K309 WeakPolarHBondContact CA-O 3.29Å; I301-K309 HydrophobicContact CG2-CB 3.96Å; I301-K309 HydrophobicContact CG2-CD 4.32Å; I301-K309 PolarHBondContact N-O 2.91Å; I301-K309 PolarHBondContact O-N 3.48Å; K309-I311 HydrophobicContact CD-CD1 4.32Å; K309-I311 HydrophobicContact CG-CD1 4.05Å
310	L	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.1	-176.2	-55.3	-179	0	0	0	109.7	L160 I164 L245 Y255 I258 F295 V308	L160-L310 HydrophobicContact CD2-CB 4.16Å; I164-L310 HydrophobicContact CD1-CD1 3.66Å; I164-L310 HydrophobicContact CG1-CD1 3.61Å; I164-L310 HydrophobicContact CG2-CD1 4.46Å; L245-L310 HydrophobicContact CB-CB 4.48Å; L245-L310 PolarHBondContact N-O 3.49Å; L245-L310 PolarHBondContact O-N 3.39Å; Y255-L310 HydrophobicContact CE2-CD2 3.89Å; I258-L310 HydrophobicContact CG2-CD1 4.49Å; I258-L310 HydrophobicContact CG2-CD2 3.88Å; F295-L310 HydrophobicContact CE2-CB 4.05Å; F295-L310 HydrophobicContact CE2-CD2 4.01Å; F295-L310 HydrophobicContact CZ-CD2 4.31Å; V308-L310 HydrophobicContact CB-CD2 4.4Å; V308-L310 HydrophobicContact CG2-CD1 4.34Å; V308-L310 HydrophobicContact CG2-CD2 4.08Å; V308-L310 HydrophobicContact CG2-CG 4.05Å
311	I	98.9	Very high	98.9	Very high	20 Å²	20	35.8 Å²	35.8	10%	0.103	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.4	-175.6	-55.2	-54.5	0	0	0	109.6	V242 V243 D244 F295 D296 A299 K309	V242-I311 HydrophobicContact CG2-CG2 3.41Å; V242-I311 VanDerWaalsContact CG2-CG2 3.41Å; V243-I311 WeakPolarHBondContact O-CA 2.96Å; D244-I311 HydrophobicContact CB-CD1 3.85Å; F295-I311 VanDerWaalsContact CD2-O 3.29Å; F295-I311 WeakPolarHBondContact CD2-O 3.31Å; D296-I311 HydrophobicContact CB-CB 4.3Å; D296-I311 HydrophobicContact CB-CG2 4.18Å; D296-I311 PolarHBondContact N-O 2.79Å; A299-I311 HydrophobicContact CB-CB 3.97Å; A299-I311 HydrophobicContact CB-CG1 3.91Å; A299-I311 HydrophobicContact CB-CG2 4.01Å; K309-I311 HydrophobicContact CD-CD1 4.32Å; K309-I311 HydrophobicContact CG-CD1 4.05Å
312	S	98.9	Very high	98.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	127.6	174.3	-168.3	0	0	0	0	112.7	V242 V243 S293 T294	V242-S312 WeakPolarHBondContact CA-O 3.44Å; V243-S312 PolarHBondContact N-O 2.86Å; V243-S312 PolarHBondContact O-N 3.02Å; S293-S312 PolarHBondContact OG-OG 3.31Å; T294-S312 PolarHBondContact N-OG 3.43Å; T294-S312 VanDerWaalsContact N-OG 3.08Å; T294-S312 CarbonylContact O-C 3.56Å; T294-S312 WeakPolarHBondContact O-CA 3.44Å; T294-S312 PolarHBondContact O-OG 2.77Å
313	W	98.9	Very high	98.9	Very high	38 Å²	38	30.1 Å²	30.1	14%	0.144	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	154.3	178	-65.3	98.2	0	0	0	111.6	V240 V242 F286 S293 T294 D296	V240-W313 HydrophobicContact CG1-CE3 3.93Å; V240-W313 HydrophobicContact CG1-CZ3 4.42Å; V242-W313 HydrophobicContact CB-CD2 4.07Å; V242-W313 HydrophobicContact CB-CE3 3.65Å; V242-W313 HydrophobicContact CB-CH2 4.27Å; V242-W313 HydrophobicContact CB-CZ3 3.74Å; V242-W313 HydrophobicContact CG1-CH2 4.44Å; V242-W313 HydrophobicContact CG1-CZ3 4.14Å; V242-W313 HydrophobicContact CG2-CD2 4.01Å; V242-W313 HydrophobicContact CG2-CE3 4.12Å; V242-W313 HydrophobicContact CG2-CG 4.46Å; V242-W313 HydrophobicContact CG2-CZ2 4.48Å; V242-W313 HydrophobicContact CG2-CZ3 4.37Å; F286-W313 HydrophobicContact CD1-CB 4.06Å; F286-W313 HydrophobicContact CD2-CB 3.69Å; F286-W313 AromaticContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CE3 4.14Å; F286-W313 AromaticContact CD2-CG 3.65Å; F286-W313 HydrophobicContact CD2-CG 3.65Å; F286-W313 HydrophobicContact CE1-CB 3.95Å; F286-W313 HydrophobicContact CE1-CG 4.29Å; F286-W313 HydrophobicContact CE2-CB 3.56Å; F286-W313 AromaticContact CE2-CD1 3.31Å; F286-W313 AromaticContact CE2-CD2 3.53Å; F286-W313 HydrophobicContact CE2-CD2 3.53Å; F286-W313 AromaticContact CE2-CE2 3.87Å; F286-W313 HydrophobicContact CE2-CE3 4.26Å; F286-W313 AromaticContact CE2-CG 3.16Å; F286-W313 HydrophobicContact CE2-CG 3.16Å; F286-W313 AromaticContact CE2-NE1 3.71Å; F286-W313 HydrophobicContact CG-CB 3.91Å; F286-W313 HydrophobicContact CG-CG 4.37Å; F286-W313 HydrophobicContact CZ-CB 3.67Å; F286-W313 AromaticContact CZ-CD1 3.36Å; F286-W313 HydrophobicContact CZ-CD2 4.33Å; F286-W313 AromaticContact CZ-CG 3.51Å; F286-W313 HydrophobicContact CZ-CG 3.51Å; S293-W313 CarbonylContact C-O 3.53Å; S293-W313 WeakPolarHBondContact CA-O 3.37Å; T294-W313 PolarHBondContact N-O 3.38Å; T294-W313 PolarHBondContact O-N 2.8Å; D296-W313 PolarHBondContact OD2-NE1 3.13Å
314	Y	98.9	Very high	98.9	Very high	6 Å²	6	23.6 Å²	23.6	2%	0.024	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	133.5	171.8	61.6	-71.4	0	0	0	111.1	C152 T153 C156 T177 H179 S241 V243 S292 N316	C152-Y314 HydrophobicContact CB-CD2 4.15Å; C152-Y314 HydrophobicContact CB-CE2 3.88Å; T153-Y314 PolarHBondContact OG1-OH 3.15Å; C156-Y314 HydrophobicContact CB-CD1 3.61Å; C156-Y314 HydrophobicContact CB-CD2 4.14Å; C156-Y314 HydrophobicContact CB-CE1 4.14Å; C156-Y314 HydrophobicContact CB-CG 3.61Å; C156-Y314 WeakPolarHBondContact SG-CD1 3.49Å; T177-Y314 PolarHBondContact OG1-OH 3.36Å; H179-Y314 PolarHBondContact CD2-OH 3.19Å; S241-Y314 VanDerWaalsContact C-CE1 3.47Å; S241-Y314 VanDerWaalsContact CB-CE1 3.41Å; S241-Y314 WeakPolarHBondContact CB-OH 3.14Å; S241-Y314 PolarHBondContact N-O 3.2Å; S241-Y314 WeakPolarHBondContact O-CD1 3.38Å; S241-Y314 PolarHBondContact O-N 2.93Å; V243-Y314 HydrophobicContact CG2-CD1 4.33Å; V243-Y314 HydrophobicContact CG2-CE1 3.76Å; S292-Y314 VanDerWaalsContact O-CB 3.31Å; S292-Y314 WeakPolarHBondContact O-CB 3.43Å; Y314-N316 HydrophobicContact CD2-CB 3.85Å; Y314-N316 HydrophobicContact CE2-CB 3.7Å; Y314-N316 PolarHBondContact O-N 3.17Å; Y314-N316 VanDerWaalsContact O-N 3.09Å
315	D	98.9	Very high	98.9	Very high	2 Å²	2	20 Å²	20	1%	0.011	9%	0.093	C	C	.	.			trans	-71.8	101.6	161.4	-168.5	-42.2	0	0	0	108.2	H53 N239 V240 S288 E317 F318 G319	H53-D315 IonicContact CE1-OD1 3.81Å; H53-D315 IonicContact CE1-OD2 2.63Å; H53-D315 PolarHBondContact CE1-OD2 3Å; N239-D315 PolarHBondContact ND2-OD1 3.32Å; N239-D315 PolarHBondContact ND2-OD2 3.05Å; N239-D315 PolarHBondContact OD1-OD1 3.12Å; V240-D315 HydrophobicContact CG2-CB 4.38Å; S288-D315 WeakPolarHBondContact CA-OD2 3.34Å; S288-D315 PolarHBondContact N-OD2 3.36Å; D315-E317 PolarHBondContact O-N 3.39Å; D315-E317 VanDerWaalsContact O-N 3.15Å; D315-E317 PolarHBondContact OD1-N 3.42Å; D315-F318 HydrophobicContact CB-CB 4.06Å; D315-F318 VanDerWaalsContact CG-CB 3.41Å; D315-F318 PolarHBondContact OD1-N 2.85Å; D315-F318 WeakPolarHBondContact OD2-CB 3.38Å; D315-G319 PolarHBondContact O-N 2.88Å; D315-G319 VanDerWaalsContact O-N 3.09Å
316	N	98.8	Very high	98.9	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.053	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.9	-175.8	49.9	-95.5	0	0	0	113.6	C152 N239 V240 S241 Y314 Y320	C152-N316 HydrophobicContact CB-CB 3.91Å; C152-N316 WeakPolarHBondContact CB-O 3.42Å; N239-N316 PolarHBondContact OD1-ND2 2.82Å; N239-N316 VanDerWaalsContact OD1-ND2 3.16Å; N239-N316 PolarHBondContact OD1-OD1 2.99Å; V240-N316 VanDerWaalsContact C-OD1 3.3Å; V240-N316 WeakPolarHBondContact CA-OD1 3.29Å; V240-N316 PolarHBondContact N-OD1 3.28Å; V240-N316 VanDerWaalsContact N-OD1 3.11Å; S241-N316 PolarHBondContact N-OD1 2.8Å; S241-N316 PolarHBondContact OG-OD1 3.36Å; Y314-N316 HydrophobicContact CD2-CB 3.85Å; Y314-N316 HydrophobicContact CE2-CB 3.7Å; Y314-N316 PolarHBondContact O-N 3.17Å; Y314-N316 VanDerWaalsContact O-N 3.09Å; N316-Y320 WeakPolarHBondContact O-CB 3.2Å
317	E	98.9	Very high	98.9	Very high	13 Å²	13	14.8 Å²	14.8	6%	0.061	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-52.6	175.9	-58.2	-168.1	134.3	0	0	111.3	R13 L17 H53 N239 D315 S321	R13-E317 WeakPolarHBondContact CB-OE1 3.39Å; R13-E317 WeakPolarHBondContact CD-OE1 3.36Å; R13-E317 VanDerWaalsContact CG-OE1 3.23Å; R13-E317 WeakPolarHBondContact CG-OE1 3.24Å; R13-E317 IonicContact CZ-OE1 3.53Å; R13-E317 IonicContact CZ-OE2 3.95Å; R13-E317 VanDerWaalsContact CZ-OE2 3.28Å; R13-E317 VanDerWaalsContact NE-CD 3.31Å; R13-E317 IonicContact NE-OE1 3.05Å; R13-E317 PolarHBondContact NE-OE1 3.43Å; R13-E317 IonicContact NE-OE2 3.18Å; R13-E317 PolarHBondContact NE-OE2 3.33Å; R13-E317 VanDerWaalsContact NE-OE2 3.16Å; R13-E317 IonicContact NH2-OE1 2.72Å; R13-E317 IonicContact NH2-OE2 3.1Å; R13-E317 PolarHBondContact NH2-OE2 2.87Å; L17-E317 HydrophobicContact CD1-CB 3.5Å; L17-E317 HydrophobicContact CD1-CG 4.46Å; H53-E317 IonicContact NE2-OE2 3.35Å; H53-E317 PolarHBondContact NE2-OE2 3.22Å; N239-E317 WeakPolarHBondContact OD1-CG 3.36Å; D315-E317 PolarHBondContact O-N 3.39Å; D315-E317 VanDerWaalsContact O-N 3.15Å; D315-E317 PolarHBondContact OD1-N 3.42Å; E317-S321 VanDerWaalsContact O-CB 3.23Å; E317-S321 WeakPolarHBondContact O-CB 3.49Å; E317-S321 PolarHBondContact O-N 3.1Å; E317-S321 PolarHBondContact O-OG 3.06Å
318	F	98.8	Very high	98.9	Very high	20 Å²	20	11.3 Å²	11.3	9%	0.088	5%	0.052	C	C	.	.	H	α-helix	trans	-79.8	-49.6	-169.7	-149.2	-103.8	0	0	0	113	L17 H53 S288 T290 D315 Y320 S321 N322	L17-F318 HydrophobicContact CD2-CD2 4.14Å; L17-F318 HydrophobicContact CD2-CE2 4.3Å; H53-F318 AromaticContact CE1-CD2 3.84Å; H53-F318 AromaticContact ND1-CD2 3.76Å; S288-F318 VanDerWaalsContact C-CD1 3.48Å; S288-F318 WeakPolarHBondContact O-CD1 3.29Å; S288-F318 WeakPolarHBondContact O-CE1 3.38Å; T290-F318 HydrophobicContact CG2-CD1 3.93Å; T290-F318 HydrophobicContact CG2-CE1 3.73Å; D315-F318 HydrophobicContact CB-CB 4.06Å; D315-F318 VanDerWaalsContact CG-CB 3.41Å; D315-F318 PolarHBondContact OD1-N 2.85Å; D315-F318 WeakPolarHBondContact OD2-CB 3.38Å; F318-Y320 VanDerWaalsContact C-N 3.3Å; F318-Y320 PolarHBondContact O-N 2.67Å; F318-S321 PolarHBondContact O-N 2.76Å; F318-N322 WeakPolarHBondContact CD1-ND2 3.33Å; F318-N322 PolarHBondContact O-N 2.89Å; F318-N322 PolarHBondContact O-ND2 3.04Å
319	G	98.8	Very high	98.8	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-58.6	-45.4	176.5	0	0	0	0	0	111	D289 H291 D315 N322 R323	D289-G319 PolarHBondContact O-N 2.95Å; H291-G319 WeakPolarHBondContact O-CA 3.28Å; D315-G319 PolarHBondContact O-N 2.88Å; D315-G319 VanDerWaalsContact O-N 3.09Å; G319-N322 PolarHBondContact O-N 2.78Å; G319-R323 WeakPolarHBondContact O-CG 3.44Å; G319-R323 PolarHBondContact O-N 3.11Å; G319-R323 VanDerWaalsContact O-N 3.1Å
320	Y	98.9	Very high	98.8	Very high	10 Å²	10	10.8 Å²	10.8	4%	0.039	6%	0.055	C	C	.	.	H	α-helix	trans	-62	-44.6	176.2	-174	-99.8	0	0	0	112.9	I14 S122 A123 N149 A150 S151 C152 N316 F318 N322 R323 V324	I14-Y320 HydrophobicContact CD1-CD1 4.07Å; I14-Y320 HydrophobicContact CG2-CD1 4.32Å; I14-Y320 HydrophobicContact CG2-CE1 4.33Å; S122-Y320 VanDerWaalsContact CA-OH 3.24Å; S122-Y320 WeakPolarHBondContact CA-OH 3.38Å; S122-Y320 PolarHBondContact O-OH 3.31Å; S122-Y320 VanDerWaalsContact O-OH 3.12Å; A123-Y320 PolarHBondContact N-OH 2.87Å; N149-Y320 HydrophobicContact CB-CE2 4.48Å; N149-Y320 WeakPolarHBondContact O-CE2 3.42Å; A150-Y320 PolarHBondContact O-OH 2.93Å; S151-Y320 VanDerWaalsContact C-CE2 3.5Å; C152-Y320 HydrophobicContact CB-CD2 4.19Å; C152-Y320 HydrophobicContact CB-CG 4.3Å; N316-Y320 WeakPolarHBondContact O-CB 3.2Å; F318-Y320 VanDerWaalsContact C-N 3.3Å; F318-Y320 PolarHBondContact O-N 2.67Å; Y320-N322 VanDerWaalsContact C-N 3.31Å; Y320-N322 PolarHBondContact O-N 3.47Å; Y320-R323 WeakPolarHBondContact O-CB 3.38Å; Y320-R323 PolarHBondContact O-N 3.17Å; Y320-R323 VanDerWaalsContact O-N 3.07Å; Y320-V324 HydrophobicContact CD1-CG2 4.24Å; Y320-V324 HydrophobicContact CE1-CG2 3.86Å; Y320-V324 PolarHBondContact O-N 2.98Å
321	S	98.9	Very high	98.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.3	-38.5	178.6	-64.4	0	0	0	0	112.3	L17 E317 F318 R323 V324 V325	L17-S321 WeakPolarHBondContact CB-OG 3.35Å; E317-S321 VanDerWaalsContact O-CB 3.23Å; E317-S321 WeakPolarHBondContact O-CB 3.49Å; E317-S321 PolarHBondContact O-N 3.1Å; E317-S321 PolarHBondContact O-OG 3.06Å; F318-S321 PolarHBondContact O-N 2.76Å; S321-R323 VanDerWaalsContact C-N 3.32Å; S321-R323 PolarHBondContact O-N 3.37Å; S321-V324 PolarHBondContact O-N 2.87Å; S321-V325 PolarHBondContact O-N 2.83Å
322	N	98.9	Very high	98.7	Very high	20 Å²	20	11.2 Å²	11.2	11%	0.107	6%	0.062	C	C	.	.	H	α-helix	trans	-64.6	-36.9	173.4	-78.4	-89.4	0	0	0	111.6	F318 G319 Y320 V324 V325 D326	F318-N322 WeakPolarHBondContact CD1-ND2 3.33Å; F318-N322 PolarHBondContact O-N 2.89Å; F318-N322 PolarHBondContact O-ND2 3.04Å; G319-N322 PolarHBondContact O-N 2.78Å; Y320-N322 VanDerWaalsContact C-N 3.31Å; Y320-N322 PolarHBondContact O-N 3.47Å; N322-V324 VanDerWaalsContact C-N 3.34Å; N322-V324 PolarHBondContact O-N 3.04Å; N322-V325 PolarHBondContact O-N 3.12Å; N322-D326 VanDerWaalsContact O-CG 3.22Å; N322-D326 PolarHBondContact O-N 3.43Å
323	R	98.9	Very high	98.6	Very high	9 Å²	9	15.3 Å²	15.3	3%	0.034	9%	0.09	C	C	.	.	H	α-helix	trans	-64.6	-34.8	173.9	-66.9	-52.6	88.1	65.6	1.3	113.8	T290 S292 G319 Y320 S321 V325 D326 L327	T290-R323 PolarHBondContact O-NH1 2.92Å; T290-R323 PolarHBondContact O-NH2 3.46Å; S292-R323 WeakPolarHBondContact OG-CD 3.14Å; S292-R323 WeakPolarHBondContact OG-CG 3.37Å; S292-R323 PolarHBondContact OG-NH1 3.39Å; S292-R323 VanDerWaalsContact OG-NH1 3.09Å; G319-R323 WeakPolarHBondContact O-CG 3.44Å; G319-R323 PolarHBondContact O-N 3.11Å; G319-R323 VanDerWaalsContact O-N 3.1Å; Y320-R323 WeakPolarHBondContact O-CB 3.38Å; Y320-R323 PolarHBondContact O-N 3.17Å; Y320-R323 VanDerWaalsContact O-N 3.07Å; S321-R323 VanDerWaalsContact C-N 3.32Å; S321-R323 PolarHBondContact O-N 3.37Å; R323-V325 VanDerWaalsContact C-N 3.34Å; R323-D326 IonicContact CZ-OD2 3.14Å; R323-D326 IonicContact NE-OD2 2.89Å; R323-D326 PolarHBondContact NE-OD2 3.03Å; R323-D326 IonicContact NH2-OD2 3.94Å; R323-D326 PolarHBondContact NH2-OD2 3.12Å; R323-D326 PolarHBondContact O-N 3.2Å; R323-L327 VanDerWaalsContact O-CB 3.31Å; R323-L327 WeakPolarHBondContact O-CB 3.39Å; R323-L327 PolarHBondContact O-N 2.71Å
324	V	98.9	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-44.3	173.1	177.4	0	0	0	0	110.2	V18 V96 I120 N149 Y320 S321 N322 L327 M328	V18-V324 HydrophobicContact CG1-CG1 4.27Å; V18-V324 HydrophobicContact CG2-CB 3.96Å; V18-V324 HydrophobicContact CG2-CG1 4.07Å; V18-V324 HydrophobicContact CG2-CG2 4.32Å; V96-V324 HydrophobicContact CG1-CG1 3.95Å; V96-V324 HydrophobicContact CG2-CG1 3.82Å; I120-V324 HydrophobicContact CG2-CG1 4.32Å; N149-V324 HydrophobicContact CB-CG2 4.23Å; N149-V324 WeakPolarHBondContact ND2-CG2 3.49Å; N149-V324 PolarHBondContact ND2-N 2.81Å; Y320-V324 HydrophobicContact CD1-CG2 4.24Å; Y320-V324 HydrophobicContact CE1-CG2 3.86Å; Y320-V324 PolarHBondContact O-N 2.98Å; S321-V324 PolarHBondContact O-N 2.87Å; N322-V324 VanDerWaalsContact C-N 3.34Å; N322-V324 PolarHBondContact O-N 3.04Å; V324-L327 PolarHBondContact O-N 2.8Å; V324-M328 HydrophobicContact CG1-CE 4.18Å; V324-M328 WeakPolarHBondContact O-CG 3.38Å; V324-M328 PolarHBondContact O-N 3.03Å
325	V	98.9	Very high	97.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.9	176.3	0	0	0	0	111.7	V18 A21 A22 K27 V28 S321 N322 R323 L327 M328 A329	V18-V325 HydrophobicContact CG1-CG2 4.13Å; A21-V325 HydrophobicContact CB-CG2 3.87Å; A22-V325 HydrophobicContact CB-CG2 4.43Å; K27-V325 HydrophobicContact CB-CG1 4.09Å; K27-V325 HydrophobicContact CD-CG1 4.46Å; V28-V325 HydrophobicContact CG1-CG1 4.39Å; V28-V325 HydrophobicContact CG2-CG1 4.13Å; S321-V325 PolarHBondContact O-N 2.83Å; N322-V325 PolarHBondContact O-N 3.12Å; R323-V325 VanDerWaalsContact C-N 3.34Å; V325-L327 PolarHBondContact O-N 3.25Å; V325-M328 HydrophobicContact CB-CE 4.49Å; V325-M328 HydrophobicContact CG2-CE 4.2Å; V325-M328 PolarHBondContact O-N 2.98Å; V325-A329 WeakPolarHBondContact O-CB 3.49Å; V325-A329 PolarHBondContact O-N 3.28Å
326	D	98.8	Very high	97.8	Very high	22 Å²	22	24.8 Å²	24.8	12%	0.118	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-40.8	178.3	-68.1	-29.9	0	0	0	112.1	K27 M133 N322 R323 A329 H330	K27-D326 IonicContact NZ-OD1 2.71Å; K27-D326 PolarHBondContact NZ-OD1 2.94Å; M133-D326 HydrophobicContact CE-CB 4.2Å; M133-D326 HydrophobicContact CG-CB 4.08Å; N322-D326 VanDerWaalsContact O-CG 3.22Å; N322-D326 PolarHBondContact O-N 3.43Å; R323-D326 IonicContact CZ-OD2 3.14Å; R323-D326 IonicContact NE-OD2 2.89Å; R323-D326 PolarHBondContact NE-OD2 3.03Å; R323-D326 IonicContact NH2-OD2 3.94Å; R323-D326 PolarHBondContact NH2-OD2 3.12Å; R323-D326 PolarHBondContact O-N 3.2Å; D326-A329 PolarHBondContact O-N 3.46Å; D326-H330 WeakPolarHBondContact O-CB 3.41Å; D326-H330 PolarHBondContact O-N 3.14Å
327	L	98.8	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-44	176.7	-179.5	60.7	0	0	0	111.3	I120 F131 M133 V147 N149 R323 V324 V325 A329 H330 M331	I120-L327 HydrophobicContact CG2-CD2 3.97Å; F131-L327 HydrophobicContact CB-CD1 4.06Å; F131-L327 HydrophobicContact CB-CD2 4.41Å; M133-L327 HydrophobicContact CG-CB 4.43Å; M133-L327 HydrophobicContact SD-CB 4.01Å; M133-L327 HydrophobicContact SD-CD1 3.98Å; V147-L327 HydrophobicContact CG2-CD2 4.33Å; N149-L327 HydrophobicContact CB-CD2 3.93Å; R323-L327 VanDerWaalsContact O-CB 3.31Å; R323-L327 WeakPolarHBondContact O-CB 3.39Å; R323-L327 PolarHBondContact O-N 2.71Å; V324-L327 PolarHBondContact O-N 2.8Å; V325-L327 PolarHBondContact O-N 3.25Å; L327-A329 VanDerWaalsContact C-N 3.34Å; L327-A329 PolarHBondContact O-N 2.94Å; L327-H330 PolarHBondContact O-N 2.85Å; L327-M331 HydrophobicContact CD1-CG 4.16Å; L327-M331 HydrophobicContact CD1-SD 4.15Å; L327-M331 HydrophobicContact CD2-SD 4.47Å; L327-M331 HydrophobicContact CG-CG 4.38Å; L327-M331 HydrophobicContact CG-SD 3.84Å; L327-M331 WeakPolarHBondContact O-CB 3.36Å; L327-M331 WeakPolarHBondContact O-CG 3.47Å; L327-M331 PolarHBondContact O-N 3.39Å
328	M	98.6	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-44.9	175.3	-71.7	-173	-65.8	0	0	111.8	V6 V18 V28 Y94 V96 I120 V324 V325 H330 M331 A332	V6-M328 HydrophobicContact CB-SD 4.34Å; V6-M328 HydrophobicContact CG1-CE 4.14Å; V6-M328 HydrophobicContact CG1-SD 3.61Å; V6-M328 HydrophobicContact CG2-CE 4.25Å; V6-M328 HydrophobicContact CG2-SD 3.7Å; V18-M328 HydrophobicContact CG1-CE 4.27Å; V28-M328 HydrophobicContact CG1-CB 4.07Å; V28-M328 HydrophobicContact CG1-CE 4.46Å; V28-M328 HydrophobicContact CG2-CE 4.06Å; Y94-M328 HydrophobicContact CD2-CB 4.15Å; Y94-M328 HydrophobicContact CD2-CG 4.17Å; V96-M328 HydrophobicContact CG2-CE 3.84Å; V96-M328 HydrophobicContact CG2-SD 3.47Å; V96-M328 WeakPolarHBondContact CG2-SD 3.2Å; I120-M328 HydrophobicContact CD1-CG 3.68Å; I120-M328 HydrophobicContact CD1-SD 4.23Å; I120-M328 HydrophobicContact CG1-CG 3.98Å; V324-M328 HydrophobicContact CG1-CE 4.18Å; V324-M328 WeakPolarHBondContact O-CG 3.38Å; V324-M328 PolarHBondContact O-N 3.03Å; V325-M328 HydrophobicContact CB-CE 4.49Å; V325-M328 HydrophobicContact CG2-CE 4.2Å; V325-M328 PolarHBondContact O-N 2.98Å; M328-H330 VanDerWaalsContact C-N 3.35Å; M328-M331 PolarHBondContact O-N 2.92Å; M328-A332 WeakPolarHBondContact O-CB 3.23Å; M328-A332 PolarHBondContact O-N 3.29Å
329	A	98.1	Very high	97.6	Very high	29 Å²	29	26.6 Å²	26.6	24%	0.24	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-41.4	177.1	0	0	0	0	0	111.8	K27 V325 D326 L327 A332 S333	K27-A329 HydrophobicContact CB-CB 4.11Å; K27-A329 HydrophobicContact CD-CB 4.33Å; V325-A329 WeakPolarHBondContact O-CB 3.49Å; V325-A329 PolarHBondContact O-N 3.28Å; D326-A329 PolarHBondContact O-N 3.46Å; L327-A329 VanDerWaalsContact C-N 3.34Å; L327-A329 PolarHBondContact O-N 2.94Å; A329-A332 PolarHBondContact O-N 3.13Å; A329-S333 PolarHBondContact O-N 2.95Å
330	H	98.4	Very high	97.6	Very high	26 Å²	26	28.2 Å²	28.2	12%	0.12	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-50.1	175	179.2	76	0	0	0	111.6	M133 H137 D326 L327 M328 A332 S333 K334	M133-H330 HydrophobicContact CE-CB 4.02Å; M133-H330 HydrophobicContact SD-CB 4.42Å; H137-H330 AromaticContact CD2-CE1 3.64Å; H137-H330 AromaticContact CD2-CG 3.97Å; H137-H330 AromaticContact CD2-ND1 3.67Å; H137-H330 AromaticContact CD2-NE2 3.94Å; H137-H330 PolarHBondContact O-NE2 2.88Å; D326-H330 WeakPolarHBondContact O-CB 3.41Å; D326-H330 PolarHBondContact O-N 3.14Å; L327-H330 PolarHBondContact O-N 2.85Å; M328-H330 VanDerWaalsContact C-N 3.35Å; H330-A332 VanDerWaalsContact C-N 3.3Å; H330-A332 PolarHBondContact O-N 3.22Å; H330-S333 WeakPolarHBondContact O-CB 3.38Å; H330-S333 PolarHBondContact O-N 3.49Å; H330-S333 PolarHBondContact O-OG 2.96Å; H330-K334 PolarHBondContact O-N 2.91Å
331	M	98.3	Very high	97.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-43.5	178.3	-69	167.5	64.3	0	0	111.3	Y94 R118 I120 Y140 V147 L327 M328 S333 K334	Y94-M331 HydrophobicContact CE2-CB 3.82Å; Y94-M331 HydrophobicContact CE2-CE 4.45Å; Y94-M331 PolarHBondContact OH-O 3.42Å; R118-M331 HydrophobicContact CB-CE 4.16Å; R118-M331 VanDerWaalsContact CD-CE 3.45Å; R118-M331 HydrophobicContact CG-CE 4.42Å; I120-M331 HydrophobicContact CD1-CE 4.32Å; I120-M331 HydrophobicContact CD1-SD 4.42Å; I120-M331 HydrophobicContact CG1-CE 4.22Å; I120-M331 HydrophobicContact CG1-SD 3.9Å; Y140-M331 HydrophobicContact CD1-CB 4.4Å; Y140-M331 HydrophobicContact CD1-CG 4.01Å; Y140-M331 HydrophobicContact CD2-CG 3.94Å; Y140-M331 HydrophobicContact CE1-CB 3.79Å; Y140-M331 HydrophobicContact CE1-CG 3.75Å; Y140-M331 HydrophobicContact CE2-CB 4.4Å; Y140-M331 HydrophobicContact CE2-CE 3.74Å; Y140-M331 HydrophobicContact CE2-CG 3.68Å; Y140-M331 HydrophobicContact CE2-SD 4.24Å; Y140-M331 HydrophobicContact CG-CG 4.09Å; V147-M331 HydrophobicContact CG1-CE 4.44Å; V147-M331 HydrophobicContact CG2-CE 3.79Å; V147-M331 HydrophobicContact CG2-SD 3.73Å; L327-M331 HydrophobicContact CD1-CG 4.16Å; L327-M331 HydrophobicContact CD1-SD 4.15Å; L327-M331 HydrophobicContact CD2-SD 4.47Å; L327-M331 HydrophobicContact CG-CG 4.38Å; L327-M331 HydrophobicContact CG-SD 3.84Å; L327-M331 WeakPolarHBondContact O-CB 3.36Å; L327-M331 WeakPolarHBondContact O-CG 3.47Å; L327-M331 PolarHBondContact O-N 3.39Å; M328-M331 PolarHBondContact O-N 2.92Å; M331-S333 VanDerWaalsContact C-N 3.28Å; M331-S333 PolarHBondContact O-N 3.32Å; M331-K334 PolarHBondContact O-N 3.01Å; M331-K334 VanDerWaalsContact O-N 3.08Å
332	A	97.3	Very high	97.4	Very high	29 Å²	29	31.5 Å²	31.5	24%	0.24	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-30.5	176.5	0	0	0	0	0	113.4	V4 Y94 M328 A329 H330 K334 E335	V4-A332 HydrophobicContact CB-CB 3.86Å; V4-A332 HydrophobicContact CG1-CB 3.96Å; V4-A332 HydrophobicContact CG2-CB 4.41Å; Y94-A332 HydrophobicContact CE2-CB 4.26Å; Y94-A332 VanDerWaalsContact OH-CA 3.31Å; Y94-A332 WeakPolarHBondContact OH-CA 3.45Å; Y94-A332 PolarHBondContact OH-N 2.91Å; M328-A332 WeakPolarHBondContact O-CB 3.23Å; M328-A332 PolarHBondContact O-N 3.29Å; A329-A332 PolarHBondContact O-N 3.13Å; H330-A332 VanDerWaalsContact C-N 3.3Å; H330-A332 PolarHBondContact O-N 3.22Å; A332-K334 PolarHBondContact O-N 2.81Å; A332-E335 PolarHBondContact O-N 3.33Å
333	S	96.6	Very high	97.3	Very high	85 Å²	85	32.4 Å²	32.4	59%	0.594	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.4	174.5	77.7	0	0	0	0	114.2	A329 H330 M331	A329-S333 PolarHBondContact O-N 2.95Å; H330-S333 WeakPolarHBondContact O-CB 3.38Å; H330-S333 PolarHBondContact O-N 3.49Å; H330-S333 PolarHBondContact O-OG 2.96Å; M331-S333 VanDerWaalsContact C-N 3.28Å; M331-S333 PolarHBondContact O-N 3.32Å
334	K	95.3	Very high	97.1	Very high	102 Å²	102	34.3 Å²	34.3	44%	0.443	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	6.1	179.3	-58.4	-62.8	-174.2	178	0	112.7	Y140 N142 H330 M331 A332	Y140-K334 HydrophobicContact CD1-CB 4.21Å; Y140-K334 HydrophobicContact CD1-CG 4.18Å; Y140-K334 HydrophobicContact CE1-CB 3.99Å; Y140-K334 HydrophobicContact CE1-CG 4.42Å; N142-K334 WeakPolarHBondContact CB-O 3.47Å; N142-K334 PolarHBondContact ND2-O 2.89Å; N142-K334 VanDerWaalsContact ND2-O 3.15Å; H330-K334 PolarHBondContact O-N 2.91Å; M331-K334 PolarHBondContact O-N 3.01Å; M331-K334 VanDerWaalsContact O-N 3.08Å; A332-K334 PolarHBondContact O-N 2.81Å
335	E	87.8	Confident	97	Very high	118 Å²	118	37.5 Å²	37.5	55%	0.551	21%	0.21	S	C	*	.			trans	-71.4	0	172.6	-66.8	-73.1	-167.7	0	0	112.3	Y94 R118 A332	Y94-E335 WeakPolarHBondContact OH-CG 3.29Å; Y94-E335 PolarHBondContact OH-OE1 2.97Å; R118-E335 IonicContact CZ-OE1 2.94Å; R118-E335 IonicContact CZ-OE2 2.7Å; R118-E335 IonicContact NE-OE1 3.67Å; R118-E335 PolarHBondContact NE-OE1 3.01Å; R118-E335 IonicContact NE-OE2 2.83Å; R118-E335 IonicContact NH2-OE1 3.74Å; R118-E335 PolarHBondContact NH2-OE1 2.88Å; R118-E335 IonicContact NH2-OE2 3.63Å; R118-E335 PolarHBondContact NH2-OE2 2.71Å; A332-E335 PolarHBondContact O-N 3.33Å

Retrieved 335 of 335 residues in 945.5 ms (Link to these results)

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