A0A077ZMH7_TRITR Loading...

fructose-bisphosphate aldolase

AlphaFold DB , UniProt , Accession A0A077ZMH7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.4	Low	84	Confident	202 Å²	202	85.5 Å²	85.5	100%	0.995	42%	0.422	S	S	*	.				0	120.2	0	-84.1	173.3	-172.4	0	0	107.8	K3	M1-K3 PolarHBondContact O-N 2.64Å
2	S	61.1	Low	85.2	Confident	59 Å²	59	79.2 Å²	79.2	41%	0.413	39%	0.392	S	S	.	.			trans	-61.3	116.6	171.7	-54.5	0	0	0	0	108.5
3	K	80.6	Confident	86.2	Confident	143 Å²	143	73.5 Å²	73.5	62%	0.622	36%	0.364	S	S	*	.			trans	-89.4	139.3	178.2	-59.1	178.2	-179.7	175.5	0	108.4	M1 F5 D6 F7	M1-K3 PolarHBondContact O-N 2.64Å; K3-F5 PolarHBondContact O-N 3.47Å; K3-D6 WeakPolarHBondContact CB-OD2 3.27Å; K3-D6 PolarHBondContact N-OD2 3.45Å; K3-D6 VanDerWaalsContact O-CB 3.26Å; K3-D6 WeakPolarHBondContact O-CB 3.14Å; K3-D6 PolarHBondContact O-N 3.2Å; K3-F7 WeakPolarHBondContact O-CD2 3.33Å; K3-F7 WeakPolarHBondContact O-CE2 3.42Å
4	I	85.1	Confident	87	Confident	18 Å²	18	69.6 Å²	69.6	9%	0.092	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-52.4	-44	-178.4	-71.6	159.7	0	0	0	111.5	D6 F7 V8 V21 V24 F30 P56 P104	I4-D6 PolarHBondContact O-N 3.09Å; I4-D6 VanDerWaalsContact O-N 3.1Å; I4-F7 PolarHBondContact O-N 3.23Å; I4-V8 HydrophobicContact CG2-CG2 3.44Å; I4-V8 VanDerWaalsContact CG2-CG2 3.44Å; I4-V8 WeakPolarHBondContact O-CG2 3.25Å; I4-V8 PolarHBondContact O-N 3.45Å; I4-V8 VanDerWaalsContact O-N 3.09Å; I4-V21 HydrophobicContact CG2-CG2 3.86Å; I4-V24 HydrophobicContact CD1-CG1 4.46Å; I4-V24 HydrophobicContact CG1-CB 4.26Å; I4-V24 HydrophobicContact CG1-CG1 3.83Å; I4-F30 HydrophobicContact CD1-CE1 4.49Å; I4-F30 HydrophobicContact CD1-CE2 4.02Å; I4-F30 HydrophobicContact CD1-CZ 3.49Å; I4-F30 VanDerWaalsContact CD1-CZ 3.49Å; I4-F30 HydrophobicContact CG1-CZ 4.46Å; I4-P56 HydrophobicContact CD1-CG 3.49Å; I4-P56 VanDerWaalsContact CD1-CG 3.49Å; I4-P56 HydrophobicContact CG2-CB 4.41Å; I4-P56 HydrophobicContact CG2-CG 4.12Å; I4-P104 HydrophobicContact CG2-CG 4.4Å
5	F	86.3	Confident	87.6	Confident	83 Å²	83	66.3 Å²	66.3	36%	0.364	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-63.8	-12.9	178.7	-70.1	-96.4	0	0	0	114.8	K3 K54 P104	K3-F5 PolarHBondContact O-N 3.47Å; F5-K54 VanDerWaalsContact CE2-O 3.3Å; F5-K54 WeakPolarHBondContact CE2-O 3.28Å; F5-P104 VanDerWaalsContact CE1-CD 3.41Å; F5-P104 HydrophobicContact CE1-CG 4.1Å; F5-P104 HydrophobicContact CE2-CG 4.49Å; F5-P104 HydrophobicContact CZ-CG 4.03Å
6	D	87	Confident	88.1	Confident	105 Å²	105	70.9 Å²	70.9	56%	0.561	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-75.5	-17.3	174.4	-55.8	-27.2	0	0	0	111.5	K3 I4	K3-D6 WeakPolarHBondContact CB-OD2 3.27Å; K3-D6 PolarHBondContact N-OD2 3.45Å; K3-D6 VanDerWaalsContact O-CB 3.26Å; K3-D6 WeakPolarHBondContact O-CB 3.14Å; K3-D6 PolarHBondContact O-N 3.2Å; I4-D6 PolarHBondContact O-N 3.09Å; I4-D6 VanDerWaalsContact O-N 3.1Å
7	F	88.2	Confident	88.6	Confident	94 Å²	94	70.3 Å²	70.3	41%	0.412	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-33.5	-173.1	-45.7	-80	0	0	0	113.3	K3 I4 K20	K3-F7 WeakPolarHBondContact O-CD2 3.33Å; K3-F7 WeakPolarHBondContact O-CE2 3.42Å; I4-F7 PolarHBondContact O-N 3.23Å; F7-K20 HydrophobicContact CB-CG 4.2Å; F7-K20 HydrophobicContact CG-CG 4.48Å
8	V	92.6	Very high	89.1	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.024	34%	0.34	C	S	.	.			trans	-111.8	138.7	-178.3	-56.8	0	0	0	0	111.7	I4 I13 D17 V21 P104	I4-V8 HydrophobicContact CG2-CG2 3.44Å; I4-V8 VanDerWaalsContact CG2-CG2 3.44Å; I4-V8 WeakPolarHBondContact O-CG2 3.25Å; I4-V8 PolarHBondContact O-N 3.45Å; I4-V8 VanDerWaalsContact O-N 3.09Å; V8-I13 HydrophobicContact CB-CG2 4.28Å; V8-D17 HydrophobicContact CG1-CB 3.7Å; V8-V21 HydrophobicContact CG1-CG2 4.01Å; V8-V21 HydrophobicContact CG2-CG2 4.14Å; V8-P104 HydrophobicContact CG2-CB 3.66Å; V8-P104 HydrophobicContact CG2-CG 3.93Å
9	K	93.8	Very high	89.5	Confident	168 Å²	168	67.6 Å²	67.6	73%	0.73	34%	0.344	S	S	*	.			trans	-85	155.5	178.1	-65.3	-177.1	-178	178.1	0	110.8
10	P	96.4	Very high	89.8	Confident	61 Å²	61	67.3 Å²	67.3	40%	0.396	34%	0.34	S	S	.	.	S	Bend	trans	-51.9	152.4	166	-28.8	37.8	0	0	0	113.1
11	G	98	Very high	90.2	Very high	3 Å²	3	64.1 Å²	64.1	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.6	-176.5	-175.8	0	0	0	0	0	112.4	I13 V103 P104 V105	G11-I13 PolarHBondContact O-N 2.98Å; G11-V103 PolarHBondContact N-O 3.16Å; G11-P104 WeakPolarHBondContact O-CA 3.49Å; G11-V105 PolarHBondContact O-N 3.36Å
12	V	98.6	Very high	92.1	Very high	10 Å²	10	57.4 Å²	57.4	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.5	174.4	177.1	0	0	0	0	109.3	V94 H95 V105 L107 S140	V12-V94 HydrophobicContact CG2-CG1 3.75Å; V12-H95 VanDerWaalsContact CB-CE1 3.49Å; V12-H95 WeakPolarHBondContact CB-CE1 3.41Å; V12-H95 HydrophobicContact CG2-CB 4.48Å; V12-V105 CarbonylContact C-O 3.57Å; V12-V105 VanDerWaalsContact CA-O 3.29Å; V12-V105 WeakPolarHBondContact CA-O 3.31Å; V12-L107 HydrophobicContact CG1-CB 3.75Å; V12-L107 HydrophobicContact CG2-CB 4.29Å; V12-L107 HydrophobicContact CG2-CD2 4.42Å; V12-S140 WeakPolarHBondContact CG1-OG 3.23Å
13	I	98	Very high	93.8	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	29%	0.288	C	S	.	.			trans	-97.5	147.1	-178.3	65.7	169.3	0	0	0	111.1	V8 G11 D17 V18 V21 P104 V105 I106 S140	V8-I13 HydrophobicContact CB-CG2 4.28Å; G11-I13 PolarHBondContact O-N 2.98Å; I13-D17 HydrophobicContact CB-CB 3.89Å; I13-D17 HydrophobicContact CD1-CB 4.39Å; I13-D17 HydrophobicContact CG2-CB 4.46Å; I13-V18 HydrophobicContact CD1-CG2 4.46Å; I13-V18 HydrophobicContact CG1-CG2 4.11Å; I13-V21 HydrophobicContact CD1-CB 4.37Å; I13-V21 HydrophobicContact CD1-CG2 3.59Å; I13-P104 HydrophobicContact CG2-CB 3.97Å; I13-V105 PolarHBondContact N-O 3.03Å; I13-I106 HydrophobicContact CD1-CD1 4.38Å; I13-I106 HydrophobicContact CD1-CG1 3.74Å; I13-I106 HydrophobicContact CG1-CG1 3.76Å; I13-S140 WeakPolarHBondContact O-CB 3.32Å; I13-S140 PolarHBondContact O-OG 3.4Å
14	T	97.4	Very high	94.4	Very high	20 Å²	20	51.7 Å²	51.7	12%	0.123	26%	0.259	C	S	.	.			trans	-144	164.7	-172.6	60.4	0	0	0	0	110.4	D16 D17 P137	T14-D16 PolarHBondContact O-N 3.49Å; T14-D17 PolarHBondContact O-N 3.08Å; T14-P137 HydrophobicContact CG2-CG 3.63Å
15	G	95.9	Very high	94.9	Very high	20 Å²	20	51.2 Å²	51.2	21%	0.206	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-131.1	175	0	0	0	0	0	113.8	D17 V18 Q19 G169	G15-D17 PolarHBondContact O-N 2.98Å; G15-V18 WeakPolarHBondContact O-CB 3.48Å; G15-V18 PolarHBondContact O-N 3.01Å; G15-V18 VanDerWaalsContact O-N 3.1Å; G15-Q19 PolarHBondContact O-N 3.16Å; G15-G169 WeakPolarHBondContact CA-O 3.34Å; G15-G169 PolarHBondContact N-O 3.45Å
16	D	95.7	Very high	95.4	Very high	139 Å²	139	54.3 Å²	54.3	74%	0.743	27%	0.271	S	S	*	.	H	α-helix	trans	-59.7	-28.2	-176.2	-67.3	-17.3	0	0	0	113.4	T14 V18 Q19 K20	T14-D16 PolarHBondContact O-N 3.49Å; D16-V18 VanDerWaalsContact C-N 3.33Å; D16-V18 PolarHBondContact O-N 3.32Å; D16-Q19 PolarHBondContact O-N 3.39Å; D16-K20 WeakPolarHBondContact O-CB 3.36Å; D16-K20 PolarHBondContact O-N 3.4Å
17	D	96.8	Very high	95.8	Very high	61 Å²	61	54.4 Å²	54.4	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-40.2	177.4	-74.1	-13.9	0	0	0	111.2	V8 I13 T14 G15 K20 V21	V8-D17 HydrophobicContact CG1-CB 3.7Å; I13-D17 HydrophobicContact CB-CB 3.89Å; I13-D17 HydrophobicContact CD1-CB 4.39Å; I13-D17 HydrophobicContact CG2-CB 4.46Å; T14-D17 PolarHBondContact O-N 3.08Å; G15-D17 PolarHBondContact O-N 2.98Å; D17-K20 PolarHBondContact O-N 2.72Å; D17-V21 WeakPolarHBondContact O-CG2 3.49Å; D17-V21 PolarHBondContact O-N 3.27Å
18	V	97.6	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-46.9	175.2	176.2	0	0	0	0	109.9	I13 G15 D16 K20 V21 F22 I106	I13-V18 HydrophobicContact CD1-CG2 4.46Å; I13-V18 HydrophobicContact CG1-CG2 4.11Å; G15-V18 WeakPolarHBondContact O-CB 3.48Å; G15-V18 PolarHBondContact O-N 3.01Å; G15-V18 VanDerWaalsContact O-N 3.1Å; D16-V18 VanDerWaalsContact C-N 3.33Å; D16-V18 PolarHBondContact O-N 3.32Å; V18-K20 VanDerWaalsContact C-N 3.29Å; V18-K20 PolarHBondContact O-N 2.97Å; V18-V21 PolarHBondContact O-N 3.4Å; V18-F22 HydrophobicContact CG1-CD2 3.94Å; V18-F22 HydrophobicContact CG1-CE2 3.46Å; V18-F22 VanDerWaalsContact CG1-CE2 3.46Å; V18-F22 HydrophobicContact CG1-CZ 4.02Å; V18-F22 PolarHBondContact O-N 2.99Å; V18-I106 HydrophobicContact CG1-CD1 4.19Å; V18-I106 HydrophobicContact CG2-CG1 4.38Å
19	Q	96.1	Very high	96.2	Very high	89 Å²	89	59.6 Å²	59.6	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-37.8	179.1	-60.5	-55.7	-42	0	0	111.6	G15 D16 F22 Q23 T171	G15-Q19 PolarHBondContact O-N 3.16Å; D16-Q19 PolarHBondContact O-N 3.39Å; Q19-F22 PolarHBondContact O-N 2.92Å; Q19-Q23 WeakPolarHBondContact O-CB 3.33Å; Q19-Q23 PolarHBondContact O-N 2.97Å; Q19-T171 PolarHBondContact NE2-OG1 2.98Å
20	K	95.9	Very high	96.3	Very high	61 Å²	61	55.4 Å²	55.4	27%	0.265	28%	0.282	S	S	.	.	H	α-helix	trans	-66.3	-42.4	177.1	-171.6	54.8	171	175	0	111.9	F7 D16 D17 V18 Q23 V24	F7-K20 HydrophobicContact CB-CG 4.2Å; F7-K20 HydrophobicContact CG-CG 4.48Å; D16-K20 WeakPolarHBondContact O-CB 3.36Å; D16-K20 PolarHBondContact O-N 3.4Å; D17-K20 PolarHBondContact O-N 2.72Å; V18-K20 VanDerWaalsContact C-N 3.29Å; V18-K20 PolarHBondContact O-N 2.97Å; K20-Q23 WeakPolarHBondContact O-CB 3.42Å; K20-Q23 PolarHBondContact O-N 2.9Å; K20-V24 WeakPolarHBondContact O-CG2 3.3Å; K20-V24 PolarHBondContact O-N 3.27Å
21	V	96.9	Very high	96.4	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-47.1	174.7	169.2	0	0	0	0	110.7	I4 V8 I13 D17 V18 Q23 V24 A25 L32 P56 I106	I4-V21 HydrophobicContact CG2-CG2 3.86Å; V8-V21 HydrophobicContact CG1-CG2 4.01Å; V8-V21 HydrophobicContact CG2-CG2 4.14Å; I13-V21 HydrophobicContact CD1-CB 4.37Å; I13-V21 HydrophobicContact CD1-CG2 3.59Å; D17-V21 WeakPolarHBondContact O-CG2 3.49Å; D17-V21 PolarHBondContact O-N 3.27Å; V18-V21 PolarHBondContact O-N 3.4Å; V21-Q23 PolarHBondContact O-N 3.33Å; V21-V24 PolarHBondContact O-N 2.85Å; V21-A25 WeakPolarHBondContact O-CB 3.26Å; V21-A25 PolarHBondContact O-N 3.42Å; V21-L32 HydrophobicContact CG1-CD1 3.59Å; V21-P56 HydrophobicContact CG1-CG 4.43Å; V21-I106 HydrophobicContact CG1-CD1 4.26Å
22	F	96.6	Very high	96.3	Very high	62 Å²	62	58.1 Å²	58.1	27%	0.272	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-35.8	176.9	-66.8	-33.4	0	0	0	113.2	V18 Q19 A25 K26 L32 I106	V18-F22 HydrophobicContact CG1-CD2 3.94Å; V18-F22 HydrophobicContact CG1-CE2 3.46Å; V18-F22 VanDerWaalsContact CG1-CE2 3.46Å; V18-F22 HydrophobicContact CG1-CZ 4.02Å; V18-F22 PolarHBondContact O-N 2.99Å; Q19-F22 PolarHBondContact O-N 2.92Å; F22-A25 PolarHBondContact O-N 3.4Å; F22-K26 WeakPolarHBondContact O-CE 3.42Å; F22-K26 WeakPolarHBondContact O-CG 3.15Å; F22-K26 PolarHBondContact O-N 3.49Å; F22-L32 HydrophobicContact CD1-CD1 4.09Å; F22-L32 HydrophobicContact CE1-CD1 3.93Å; F22-I106 HydrophobicContact CE1-CD1 3.98Å; F22-I106 HydrophobicContact CZ-CD1 4.08Å
23	Q	95.4	Very high	96.3	Very high	78 Å²	78	61.3 Å²	61.3	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-51.2	173.2	179.8	-176.4	20.6	0	0	110.6	Q19 K20 V21 A25 K26 E27	Q19-Q23 WeakPolarHBondContact O-CB 3.33Å; Q19-Q23 PolarHBondContact O-N 2.97Å; K20-Q23 WeakPolarHBondContact O-CB 3.42Å; K20-Q23 PolarHBondContact O-N 2.9Å; V21-Q23 PolarHBondContact O-N 3.33Å; Q23-A25 VanDerWaalsContact C-N 3.31Å; Q23-A25 PolarHBondContact O-N 3Å; Q23-K26 PolarHBondContact O-N 3.1Å; Q23-E27 HydrophobicContact CG-CG 4.41Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.19Å; Q23-E27 PolarHBondContact NE2-OE1 2.94Å; Q23-E27 WeakPolarHBondContact O-CB 3.36Å; Q23-E27 WeakPolarHBondContact O-CG 3.17Å; Q23-E27 PolarHBondContact O-N 3.48Å
24	V	94.8	Very high	96.4	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-39.6	179.4	174.5	0	0	0	0	111.2	I4 K20 V21 E27 N28 F30	I4-V24 HydrophobicContact CD1-CG1 4.46Å; I4-V24 HydrophobicContact CG1-CB 4.26Å; I4-V24 HydrophobicContact CG1-CG1 3.83Å; K20-V24 WeakPolarHBondContact O-CG2 3.3Å; K20-V24 PolarHBondContact O-N 3.27Å; V21-V24 PolarHBondContact O-N 2.85Å; V24-E27 PolarHBondContact O-N 3.49Å; V24-N28 WeakPolarHBondContact O-CB 3.44Å; V24-N28 PolarHBondContact O-N 2.85Å; V24-N28 PolarHBondContact O-ND2 3.48Å; V24-F30 HydrophobicContact CG1-CE1 4.23Å; V24-F30 HydrophobicContact CG1-CZ 4.27Å
25	A	95.5	Very high	96.4	Very high	8 Å²	8	64.9 Å²	64.9	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-47.7	175.2	0	0	0	0	0	112.5	V21 F22 Q23 N28 N29 F30	V21-A25 WeakPolarHBondContact O-CB 3.26Å; V21-A25 PolarHBondContact O-N 3.42Å; F22-A25 PolarHBondContact O-N 3.4Å; Q23-A25 VanDerWaalsContact C-N 3.31Å; Q23-A25 PolarHBondContact O-N 3Å; A25-N28 CarbonylContact O-C 3.57Å; A25-N28 PolarHBondContact O-N 3.28Å; A25-N29 PolarHBondContact O-N 3.26Å; A25-F30 HydrophobicContact CB-CD2 3.96Å; A25-F30 HydrophobicContact CB-CE1 4.31Å; A25-F30 HydrophobicContact CB-CE2 3.49Å; A25-F30 VanDerWaalsContact CB-CE2 3.49Å; A25-F30 HydrophobicContact CB-CZ 3.69Å; A25-F30 PolarHBondContact O-N 3.06Å; A25-F30 VanDerWaalsContact O-N 3.1Å
26	K	96.2	Very high	96.6	Very high	149 Å²	149	67.4 Å²	67.4	65%	0.648	36%	0.361	S	S	*	.	H	α-helix	trans	-63.6	-46.6	176.4	-74.1	177.5	-74.1	-175	0	112.3	F22 Q23 N28 N29	F22-K26 WeakPolarHBondContact O-CE 3.42Å; F22-K26 WeakPolarHBondContact O-CG 3.15Å; F22-K26 PolarHBondContact O-N 3.49Å; Q23-K26 PolarHBondContact O-N 3.1Å; K26-N28 PolarHBondContact O-N 3.05Å; K26-N29 PolarHBondContact O-N 3.19Å
27	E	95.7	Very high	96.7	Very high	107 Å²	107	60.8 Å²	60.8	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-28.8	180	-74	171.8	-174.8	0	0	112.9	Q23 V24	Q23-E27 HydrophobicContact CG-CG 4.41Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.19Å; Q23-E27 PolarHBondContact NE2-OE1 2.94Å; Q23-E27 WeakPolarHBondContact O-CB 3.36Å; Q23-E27 WeakPolarHBondContact O-CG 3.17Å; Q23-E27 PolarHBondContact O-N 3.48Å; V24-E27 PolarHBondContact O-N 3.49Å
28	N	94.1	Very high	96.8	Very high	55 Å²	55	61 Å²	61	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	10.8	-175.7	-62.8	-92.5	0	0	0	113.4	V24 A25 K26 F30	V24-N28 WeakPolarHBondContact O-CB 3.44Å; V24-N28 PolarHBondContact O-N 2.85Å; V24-N28 PolarHBondContact O-ND2 3.48Å; A25-N28 CarbonylContact O-C 3.57Å; A25-N28 PolarHBondContact O-N 3.28Å; K26-N28 PolarHBondContact O-N 3.05Å; N28-F30 HydrophobicContact CB-CD1 3.78Å; N28-F30 HydrophobicContact CB-CE1 3.84Å; N28-F30 PolarHBondContact O-N 3.39Å
29	N	95.9	Very high	96.9	Very high	152 Å²	152	61.9 Å²	61.9	81%	0.813	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	46.4	176	-57.7	-61.3	0	0	0	114.7	A25 K26	A25-N29 PolarHBondContact O-N 3.26Å; K26-N29 PolarHBondContact O-N 3.19Å
30	F	95.4	Very high	97	Very high	80 Å²	80	61 Å²	61	35%	0.351	34%	0.339	S	S	.	.			trans	-124.6	161	170.2	69.7	-97.8	0	0	0	111.4	I4 V24 A25 N28 L32	I4-F30 HydrophobicContact CD1-CE1 4.49Å; I4-F30 HydrophobicContact CD1-CE2 4.02Å; I4-F30 HydrophobicContact CD1-CZ 3.49Å; I4-F30 VanDerWaalsContact CD1-CZ 3.49Å; I4-F30 HydrophobicContact CG1-CZ 4.46Å; V24-F30 HydrophobicContact CG1-CE1 4.23Å; V24-F30 HydrophobicContact CG1-CZ 4.27Å; A25-F30 HydrophobicContact CB-CD2 3.96Å; A25-F30 HydrophobicContact CB-CE1 4.31Å; A25-F30 HydrophobicContact CB-CE2 3.49Å; A25-F30 VanDerWaalsContact CB-CE2 3.49Å; A25-F30 HydrophobicContact CB-CZ 3.69Å; A25-F30 PolarHBondContact O-N 3.06Å; A25-F30 VanDerWaalsContact O-N 3.1Å; N28-F30 HydrophobicContact CB-CD1 3.78Å; N28-F30 HydrophobicContact CB-CE1 3.84Å; N28-F30 PolarHBondContact O-N 3.39Å; F30-L32 HydrophobicContact CE2-CD2 3.96Å
31	A	97.2	Very high	97.1	Very high	89 Å²	89	64.4 Å²	64.4	74%	0.736	36%	0.36	S	S	*	.			trans	-112.7	161.9	173.1	0	0	0	0	0	110.5
32	L	97.4	Very high	97.2	Very high	31 Å²	31	66 Å²	66	16%	0.162	37%	0.371	C	S	.	.			trans	-103.4	133.5	174.7	-61.6	168.5	0	0	0	108.9	V21 F22 F30 A34 P56 I58 I106	V21-L32 HydrophobicContact CG1-CD1 3.59Å; F22-L32 HydrophobicContact CD1-CD1 4.09Å; F22-L32 HydrophobicContact CE1-CD1 3.93Å; F30-L32 HydrophobicContact CE2-CD2 3.96Å; L32-A34 PolarHBondContact O-N 2.95Å; L32-P56 HydrophobicContact CD2-CB 4.18Å; L32-P56 HydrophobicContact CD2-CG 3.48Å; L32-P56 VanDerWaalsContact CD2-CG 3.48Å; L32-I58 HydrophobicContact CB-CD1 3.9Å; L32-I58 HydrophobicContact CB-CG1 4.47Å; L32-I58 HydrophobicContact CD1-CD1 4.32Å; L32-I106 HydrophobicContact CD1-CD1 4.13Å
33	P	98.5	Very high	97.3	Very high	77 Å²	77	63.1 Å²	63.1	50%	0.5	36%	0.358	S	S	.	.			trans	-69.5	131.7	169	27.9	-30.3	0	0	0	110	V35 V57 I58	P33-V35 HydrophobicContact CB-CG2 4.31Å; P33-V57 HydrophobicContact CG-CG2 4.29Å; P33-I58 PolarHBondContact O-N 3.49Å
34	A	98.8	Very high	97.5	Very high	46 Å²	46	61.6 Å²	61.6	38%	0.38	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.9	169	0	0	0	0	0	109.4	L32 I58 Q60	L32-A34 PolarHBondContact O-N 2.95Å; A34-I58 WeakPolarHBondContact CA-O 3.2Å; A34-I58 HydrophobicContact CB-CB 3.7Å; A34-I58 HydrophobicContact CB-CD1 4.05Å; A34-I58 HydrophobicContact CB-CG2 3.61Å; A34-Q60 VanDerWaalsContact CB-OE1 3.25Å
35	V	98.9	Very high	97.7	Very high	55 Å²	55	63.8 Å²	63.8	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117	-166.4	-169.5	0	0	0	0	110.3	P33 C37 V46 I58 Q60	P33-V35 HydrophobicContact CB-CG2 4.31Å; V35-C37 PolarHBondContact O-N 3.19Å; V35-V46 HydrophobicContact CB-CG1 4.42Å; V35-V46 HydrophobicContact CB-CG2 3.68Å; V35-V46 HydrophobicContact CG1-CG2 3.54Å; V35-V46 HydrophobicContact CG2-CG1 4.42Å; V35-V46 HydrophobicContact CG2-CG2 4.14Å; V35-I58 PolarHBondContact N-O 2.91Å; V35-Q60 PolarHBondContact O-N 3.1Å
36	N	98.9	Very high	97.9	Very high	72 Å²	72	64.1 Å²	64.1	39%	0.385	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	124.9	173.5	-71.8	82.8	0	0	0	110.7	Q60 D110	N36-Q60 CarbonylContact C-O 3.57Å; N36-Q60 VanDerWaalsContact CA-O 3.29Å; N36-Q60 WeakPolarHBondContact CA-O 3.4Å; N36-Q60 HydrophobicContact CB-CG 4.42Å; N36-Q60 PolarHBondContact OD1-NE2 3.24Å; N36-D110 PolarHBondContact ND2-OD2 2.9Å
37	C	98.9	Very high	98	Very high	1 Å²	1	57 Å²	57	1%	0.007	34%	0.342	C	S	.	.			trans	-114.7	149.2	176.9	-67.8	0	0	0	0	110.9	V35 I43 V59 Q60 F61	V35-C37 PolarHBondContact O-N 3.19Å; C37-I43 HydrophobicContact CB-CG1 3.64Å; C37-V59 HydrophobicContact CB-CG1 4.28Å; C37-Q60 PolarHBondContact N-O 3.09Å; C37-F61 HydrophobicContact CB-CD1 4.13Å; C37-F61 HydrophobicContact CB-CE1 3.84Å
38	V	98.8	Very high	98.1	Very high	65 Å²	65	55.9 Å²	55.9	39%	0.394	34%	0.336	S	S	.	.			trans	-131.8	3.6	-176.1	-58.5	0	0	0	0	112.8	S42 F68 I69	V38-S42 PolarHBondContact N-OG 3.43Å; V38-F68 HydrophobicContact CB-CB 4.46Å; V38-F68 HydrophobicContact CB-CD1 4.03Å; V38-F68 HydrophobicContact CB-CG 4.42Å; V38-F68 HydrophobicContact CG2-CD1 4.42Å; V38-F68 WeakPolarHBondContact O-CD1 3.42Å; V38-I69 VanDerWaalsContact O-CG1 3.26Å; V38-I69 WeakPolarHBondContact O-CG1 3.42Å
39	G	98.6	Very high	98.3	Very high	19 Å²	19	57.1 Å²	57.1	20%	0.196	35%	0.346	C	S	.	.	S	Bend	trans	173.7	174.9	-177.8	0	0	0	0	0	111.2	D41 S42 I43	G39-D41 VanDerWaalsContact C-N 3.29Å; G39-D41 PolarHBondContact O-N 3.03Å; G39-S42 PolarHBondContact N-OG 3.3Å; G39-S42 VanDerWaalsContact N-OG 3.1Å; G39-S42 PolarHBondContact O-N 3.44Å; G39-S42 PolarHBondContact O-OG 3.19Å; G39-I43 WeakPolarHBondContact O-CG1 3.36Å; G39-I43 PolarHBondContact O-N 3.17Å
40	T	98.7	Very high	98.5	Very high	69 Å²	69	50.1 Å²	50.1	42%	0.423	31%	0.31	S	S	.	.	H	α-helix	trans	-57	-40.8	-178	48	0	0	0	0	112.2	S42 I43 N44	T40-S42 PolarHBondContact O-N 3.24Å; T40-I43 PolarHBondContact O-N 3.39Å; T40-N44 VanDerWaalsContact O-CB 3.23Å; T40-N44 WeakPolarHBondContact O-CB 3.41Å; T40-N44 PolarHBondContact O-N 3.03Å; T40-N44 PolarHBondContact O-ND2 2.98Å; T40-N44 PolarHBondContact O-OD1 3.48Å
41	D	98.8	Very high	98.6	Very high	134 Å²	134	47.9 Å²	47.9	72%	0.717	31%	0.306	S	S	*	.	H	α-helix	trans	-58.3	-48.5	178.4	-58.7	-73.7	0	0	0	112.5	G39 N44 A45	G39-D41 VanDerWaalsContact C-N 3.29Å; G39-D41 PolarHBondContact O-N 3.03Å; D41-N44 PolarHBondContact O-N 3.31Å; D41-A45 WeakPolarHBondContact O-CB 3.36Å; D41-A45 PolarHBondContact O-N 3.41Å
42	S	98.9	Very high	98.6	Very high	33 Å²	33	50.4 Å²	50.4	23%	0.231	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-40.5	177.5	54	0	0	0	0	112.7	V38 G39 T40 A45 V46	V38-S42 PolarHBondContact N-OG 3.43Å; G39-S42 PolarHBondContact N-OG 3.3Å; G39-S42 VanDerWaalsContact N-OG 3.1Å; G39-S42 PolarHBondContact O-N 3.44Å; G39-S42 PolarHBondContact O-OG 3.19Å; T40-S42 PolarHBondContact O-N 3.24Å; S42-A45 PolarHBondContact O-N 3.19Å; S42-V46 WeakPolarHBondContact O-CG2 3.34Å; S42-V46 PolarHBondContact O-N 3.13Å
43	I	98.9	Very high	98.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-47.7	176.6	-64.6	165.5	0	0	0	109.7	C37 G39 T40 A45 V46 L47 F61 V94	C37-I43 HydrophobicContact CB-CG1 3.64Å; G39-I43 WeakPolarHBondContact O-CG1 3.36Å; G39-I43 PolarHBondContact O-N 3.17Å; T40-I43 PolarHBondContact O-N 3.39Å; I43-A45 VanDerWaalsContact C-N 3.33Å; I43-A45 PolarHBondContact O-N 3Å; I43-V46 PolarHBondContact O-N 3.25Å; I43-L47 HydrophobicContact CG2-CD1 3.91Å; I43-L47 HydrophobicContact CG2-CG 4.21Å; I43-L47 WeakPolarHBondContact O-CG 3.37Å; I43-L47 PolarHBondContact O-N 3.28Å; I43-F61 HydrophobicContact CD1-CE1 3.97Å; I43-F61 HydrophobicContact CD1-CZ 4.08Å; I43-F61 HydrophobicContact CG1-CE1 4.24Å; I43-V94 HydrophobicContact CD1-CG2 4.24Å; I43-V94 HydrophobicContact CG1-CG2 4.45Å; I43-V94 HydrophobicContact CG2-CG2 3.67Å
44	N	98.7	Very high	98.4	Very high	46 Å²	46	57.9 Å²	57.9	25%	0.246	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-42.2	-178.7	-66.6	-12	0	0	0	111.2	T40 D41 V46 L47 E48 H93	T40-N44 VanDerWaalsContact O-CB 3.23Å; T40-N44 WeakPolarHBondContact O-CB 3.41Å; T40-N44 PolarHBondContact O-N 3.03Å; T40-N44 PolarHBondContact O-ND2 2.98Å; T40-N44 PolarHBondContact O-OD1 3.48Å; D41-N44 PolarHBondContact O-N 3.31Å; N44-V46 VanDerWaalsContact C-N 3.3Å; N44-V46 PolarHBondContact O-N 3.36Å; N44-L47 PolarHBondContact O-N 3.03Å; N44-E48 VanDerWaalsContact O-CB 3.25Å; N44-E48 WeakPolarHBondContact O-CB 3.31Å; N44-E48 PolarHBondContact O-N 2.8Å; N44-H93 PolarHBondContact OD1-NE2 3.45Å
45	A	98.9	Very high	98.2	Very high	49 Å²	49	57.4 Å²	57.4	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-39.4	176.8	0	0	0	0	0	112.4	D41 S42 I43 T49	D41-A45 WeakPolarHBondContact O-CB 3.36Å; D41-A45 PolarHBondContact O-N 3.41Å; S42-A45 PolarHBondContact O-N 3.19Å; I43-A45 VanDerWaalsContact C-N 3.33Å; I43-A45 PolarHBondContact O-N 3Å; A45-T49 VanDerWaalsContact O-CB 3.27Å; A45-T49 WeakPolarHBondContact O-CB 3.49Å; A45-T49 PolarHBondContact O-N 3.04Å; A45-T49 PolarHBondContact O-OG1 2.84Å
46	V	98.9	Very high	98.1	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-49.2	176.3	173.9	0	0	0	0	111	V35 S42 I43 N44 E48 T49 A50 V57 V59	V35-V46 HydrophobicContact CB-CG1 4.42Å; V35-V46 HydrophobicContact CB-CG2 3.68Å; V35-V46 HydrophobicContact CG1-CG2 3.54Å; V35-V46 HydrophobicContact CG2-CG1 4.42Å; V35-V46 HydrophobicContact CG2-CG2 4.14Å; S42-V46 WeakPolarHBondContact O-CG2 3.34Å; S42-V46 PolarHBondContact O-N 3.13Å; I43-V46 PolarHBondContact O-N 3.25Å; N44-V46 VanDerWaalsContact C-N 3.3Å; N44-V46 PolarHBondContact O-N 3.36Å; V46-E48 PolarHBondContact O-N 3.2Å; V46-T49 PolarHBondContact O-N 2.89Å; V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 2.79Å; V46-V57 HydrophobicContact CG1-CB 4.36Å; V46-V57 HydrophobicContact CG1-CG1 3.97Å; V46-V57 HydrophobicContact CG1-CG2 3.5Å; V46-V57 VanDerWaalsContact CG1-CG2 3.5Å; V46-V59 HydrophobicContact CB-CG2 4.42Å; V46-V59 HydrophobicContact CG1-CG2 3.75Å
47	L	98.8	Very high	98.1	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-44.2	179.7	-63.6	179.5	0	0	0	112	I43 N44 A50 A51 V59 M97 A98 Y101 V105	I43-L47 HydrophobicContact CG2-CD1 3.91Å; I43-L47 HydrophobicContact CG2-CG 4.21Å; I43-L47 WeakPolarHBondContact O-CG 3.37Å; I43-L47 PolarHBondContact O-N 3.28Å; N44-L47 PolarHBondContact O-N 3.03Å; L47-A50 PolarHBondContact O-N 3.09Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.35Å; L47-V59 HydrophobicContact CD2-CG2 4.47Å; L47-M97 HydrophobicContact CD1-CB 3.58Å; L47-A98 HydrophobicContact CD2-CB 4.33Å; L47-Y101 HydrophobicContact CB-CD1 4.19Å; L47-Y101 HydrophobicContact CB-CD2 3.57Å; L47-Y101 HydrophobicContact CB-CE1 4.42Å; L47-Y101 HydrophobicContact CB-CE2 3.83Å; L47-Y101 HydrophobicContact CB-CG 3.76Å; L47-Y101 HydrophobicContact CD1-CD2 3.83Å; L47-Y101 HydrophobicContact CD1-CE2 4.07Å; L47-Y101 HydrophobicContact CG-CD2 4.32Å; L47-V105 HydrophobicContact CD2-CG2 3.53Å
48	E	98.7	Very high	98.1	Very high	83 Å²	83	52.9 Å²	52.9	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-43.8	177.3	-172.7	-173.8	176.4	0	0	111.4	N44 V46 A51 K52 Y101	N44-E48 VanDerWaalsContact O-CB 3.25Å; N44-E48 WeakPolarHBondContact O-CB 3.31Å; N44-E48 PolarHBondContact O-N 2.8Å; V46-E48 PolarHBondContact O-N 3.2Å; E48-A51 PolarHBondContact O-N 3.27Å; E48-K52 VanDerWaalsContact CD-NZ 3.33Å; E48-K52 HydrophobicContact CG-CD 4.34Å; E48-K52 WeakPolarHBondContact O-CG 3.49Å; E48-K52 PolarHBondContact O-N 2.9Å; E48-K52 WeakPolarHBondContact OE1-CE 3.46Å; E48-K52 IonicContact OE1-NZ 2.64Å; E48-K52 PolarHBondContact OE1-NZ 3.21Å; E48-Y101 VanDerWaalsContact CA-CE1 3.46Å; E48-Y101 HydrophobicContact CB-CD1 4.5Å; E48-Y101 HydrophobicContact CB-CE1 3.71Å; E48-Y101 HydrophobicContact CG-CE1 4.23Å
49	T	98.8	Very high	98.1	Very high	81 Å²	81	49.8 Å²	49.8	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-47.2	178.4	-60.3	0	0	0	0	110.9	A45 V46 A51 K52 V53	A45-T49 VanDerWaalsContact O-CB 3.27Å; A45-T49 WeakPolarHBondContact O-CB 3.49Å; A45-T49 PolarHBondContact O-N 3.04Å; A45-T49 PolarHBondContact O-OG1 2.84Å; V46-T49 PolarHBondContact O-N 2.89Å; T49-A51 VanDerWaalsContact C-N 3.31Å; T49-A51 PolarHBondContact O-N 2.87Å; T49-K52 WeakPolarHBondContact O-CB 3.36Å; T49-K52 PolarHBondContact O-N 3.41Å; T49-K52 VanDerWaalsContact O-N 3.16Å; T49-V53 WeakPolarHBondContact O-CG2 3.47Å; T49-V53 PolarHBondContact O-N 3.16Å
50	A	98.3	Very high	98.1	Very high	6 Å²	6	49.7 Å²	49.7	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-40.2	178.3	0	0	0	0	0	112.2	V46 L47 V53 K54 A55 V57 V103	V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 2.79Å; L47-A50 PolarHBondContact O-N 3.09Å; A50-V53 PolarHBondContact O-N 3.48Å; A50-K54 WeakPolarHBondContact O-CA 3.29Å; A50-K54 PolarHBondContact O-N 3.39Å; A50-A55 PolarHBondContact O-N 3.26Å; A50-A55 VanDerWaalsContact O-N 3.1Å; A50-V57 HydrophobicContact CB-CB 3.84Å; A50-V57 HydrophobicContact CB-CG1 3.63Å; A50-V103 HydrophobicContact CB-CG1 3.68Å; A50-V103 HydrophobicContact CB-CG2 4.15Å
51	A	97.6	Very high	98.1	Very high	33 Å²	33	46.4 Å²	46.4	27%	0.273	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-45.2	174.2	0	0	0	0	0	111.9	L47 E48 T49 V53 K54 Y101 V103	L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.35Å; E48-A51 PolarHBondContact O-N 3.27Å; T49-A51 VanDerWaalsContact C-N 3.31Å; T49-A51 PolarHBondContact O-N 2.87Å; A51-V53 PolarHBondContact O-N 3.16Å; A51-K54 PolarHBondContact O-N 2.92Å; A51-Y101 HydrophobicContact CB-CD1 4.07Å; A51-V103 VanDerWaalsContact CA-CG2 3.49Å; A51-V103 HydrophobicContact CB-CG2 3.65Å
52	K	98	Very high	98.1	Very high	142 Å²	142	41.7 Å²	41.7	62%	0.617	24%	0.235	S	C	*	.	H	α-helix	trans	-60.5	-42.8	178.1	-76.4	173	-178	167.9	0	112.3	E48 T49 K54	E48-K52 VanDerWaalsContact CD-NZ 3.33Å; E48-K52 HydrophobicContact CG-CD 4.34Å; E48-K52 WeakPolarHBondContact O-CG 3.49Å; E48-K52 PolarHBondContact O-N 2.9Å; E48-K52 WeakPolarHBondContact OE1-CE 3.46Å; E48-K52 IonicContact OE1-NZ 2.64Å; E48-K52 PolarHBondContact OE1-NZ 3.21Å; T49-K52 WeakPolarHBondContact O-CB 3.36Å; T49-K52 PolarHBondContact O-N 3.41Å; T49-K52 VanDerWaalsContact O-N 3.16Å; K52-K54 VanDerWaalsContact C-N 3.34Å
53	V	96.6	Very high	98.1	Very high	95 Å²	95	41.5 Å²	41.5	58%	0.576	23%	0.231	S	C	*	.	H	α-helix	trans	-86.9	-3.5	-179.8	-54.5	0	0	0	0	113.6	T49 A50 A51 A55	T49-V53 WeakPolarHBondContact O-CG2 3.47Å; T49-V53 PolarHBondContact O-N 3.16Å; A50-V53 PolarHBondContact O-N 3.48Å; A51-V53 PolarHBondContact O-N 3.16Å; V53-A55 HydrophobicContact CG2-CB 3.76Å; V53-A55 PolarHBondContact O-N 2.8Å
54	K	94.2	Very high	98.1	Very high	170 Å²	170	43.6 Å²	43.6	74%	0.739	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	48.8	-178.8	-54.7	179.4	-177.7	179.6	0	112.4	F5 A50 A51 K52	F5-K54 VanDerWaalsContact CE2-O 3.3Å; F5-K54 WeakPolarHBondContact CE2-O 3.28Å; A50-K54 WeakPolarHBondContact O-CA 3.29Å; A50-K54 PolarHBondContact O-N 3.39Å; A51-K54 PolarHBondContact O-N 2.92Å; K52-K54 VanDerWaalsContact C-N 3.34Å
55	A	95.4	Very high	98.1	Very high	35 Å²	35	41.6 Å²	41.6	29%	0.289	24%	0.243	S	C	.	.			trans	-128	150.8	-179.3	0	0	0	0	0	111.4	A50 V53	A50-A55 PolarHBondContact O-N 3.26Å; A50-A55 VanDerWaalsContact O-N 3.1Å; V53-A55 HydrophobicContact CG2-CB 3.76Å; V53-A55 PolarHBondContact O-N 2.8Å
56	P	96.9	Very high	98.1	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.052	22%	0.224	C	C	.	.			trans	-61.6	158.3	161.1	29.8	-37.8	0	0	0	111.1	I4 V21 L32 P104	I4-P56 HydrophobicContact CD1-CG 3.49Å; I4-P56 VanDerWaalsContact CD1-CG 3.49Å; I4-P56 HydrophobicContact CG2-CB 4.41Å; I4-P56 HydrophobicContact CG2-CG 4.12Å; V21-P56 HydrophobicContact CG1-CG 4.43Å; L32-P56 HydrophobicContact CD2-CB 4.18Å; L32-P56 HydrophobicContact CD2-CG 3.48Å; L32-P56 VanDerWaalsContact CD2-CG 3.48Å; P56-P104 VanDerWaalsContact CA-O 3.31Å; P56-P104 WeakPolarHBondContact CA-O 3.41Å; P56-P104 HydrophobicContact CB-CG 3.98Å
57	V	98.5	Very high	98.1	Very high	6 Å²	6	40 Å²	40	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.5	177.1	67.1	0	0	0	0	111	P33 V46 A50 V103 P104 V105 I106	P33-V57 HydrophobicContact CG-CG2 4.29Å; V46-V57 HydrophobicContact CG1-CB 4.36Å; V46-V57 HydrophobicContact CG1-CG1 3.97Å; V46-V57 HydrophobicContact CG1-CG2 3.5Å; V46-V57 VanDerWaalsContact CG1-CG2 3.5Å; A50-V57 HydrophobicContact CB-CB 3.84Å; A50-V57 HydrophobicContact CB-CG1 3.63Å; V57-V103 HydrophobicContact CG1-CG1 4.17Å; V57-P104 PolarHBondContact N-O 2.94Å; V57-V105 HydrophobicContact CG1-CG2 4.08Å; V57-V105 WeakPolarHBondContact O-CA 3.3Å; V57-I106 PolarHBondContact O-N 3.1Å
58	I	98.9	Very high	98.1	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.8	167.2	-62.6	153.5	0	0	0	108.2	L32 P33 A34 V35 Q60 I106 H108	L32-I58 HydrophobicContact CB-CD1 3.9Å; L32-I58 HydrophobicContact CB-CG1 4.47Å; L32-I58 HydrophobicContact CD1-CD1 4.32Å; P33-I58 PolarHBondContact O-N 3.49Å; A34-I58 WeakPolarHBondContact CA-O 3.2Å; A34-I58 HydrophobicContact CB-CB 3.7Å; A34-I58 HydrophobicContact CB-CD1 4.05Å; A34-I58 HydrophobicContact CB-CG2 3.61Å; V35-I58 PolarHBondContact N-O 2.91Å; I58-Q60 HydrophobicContact CG2-CB 4.49Å; I58-I106 CarbonylContact C-O 3.57Å; I58-I106 VanDerWaalsContact CA-O 3.25Å; I58-I106 WeakPolarHBondContact CA-O 3.4Å; I58-I106 HydrophobicContact CB-CB 4.4Å; I58-I106 HydrophobicContact CG1-CB 3.69Å; I58-I106 HydrophobicContact CG1-CD1 4.05Å; I58-I106 HydrophobicContact CG1-CG1 4.39Å; I58-I106 HydrophobicContact CG1-CG2 3.97Å; I58-I106 HydrophobicContact CG2-CG2 4.46Å; I58-H108 HydrophobicContact CG2-CB 3.7Å
59	V	98.9	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.9	167	172	0	0	0	0	106.8	C37 V46 L47 F61 V94 V105 I106 L107 H108	C37-V59 HydrophobicContact CB-CG1 4.28Å; V46-V59 HydrophobicContact CB-CG2 4.42Å; V46-V59 HydrophobicContact CG1-CG2 3.75Å; L47-V59 HydrophobicContact CD2-CG2 4.47Å; V59-F61 HydrophobicContact CG1-CE1 4.16Å; V59-F61 HydrophobicContact CG1-CZ 4.22Å; V59-V94 HydrophobicContact CG1-CG2 3.93Å; V59-V105 HydrophobicContact CB-CG1 4.09Å; V59-V105 HydrophobicContact CG2-CG1 3.82Å; V59-I106 PolarHBondContact N-O 2.8Å; V59-L107 HydrophobicContact CB-CD1 4.21Å; V59-L107 HydrophobicContact CG1-CD1 4.08Å; V59-H108 PolarHBondContact O-N 2.77Å
60	Q	98.9	Very high	98.1	Very high	18 Å²	18	40.5 Å²	40.5	8%	0.084	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.8	-179.8	74.2	-178	33.9	0	0	113.5	A34 V35 N36 C37 I58 H108 D110	A34-Q60 VanDerWaalsContact CB-OE1 3.25Å; V35-Q60 PolarHBondContact O-N 3.1Å; N36-Q60 CarbonylContact C-O 3.57Å; N36-Q60 VanDerWaalsContact CA-O 3.29Å; N36-Q60 WeakPolarHBondContact CA-O 3.4Å; N36-Q60 HydrophobicContact CB-CG 4.42Å; N36-Q60 PolarHBondContact OD1-NE2 3.24Å; C37-Q60 PolarHBondContact N-O 3.09Å; I58-Q60 HydrophobicContact CG2-CB 4.49Å; Q60-H108 VanDerWaalsContact CA-O 3.3Å; Q60-H108 WeakPolarHBondContact CA-O 3.38Å; Q60-H108 HydrophobicContact CB-CB 3.99Å; Q60-D110 PolarHBondContact NE2-OD1 2.93Å; Q60-D110 PolarHBondContact NE2-OD2 3.33Å; Q60-D110 VanDerWaalsContact NE2-OD2 3.17Å
61	F	98.9	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.4	170.6	-51.7	-52.3	0	0	0	109.2	C37 I43 V59 A66 I69 A87 V94 L107 H108 T109 D110 W119 F139	C37-F61 HydrophobicContact CB-CD1 4.13Å; C37-F61 HydrophobicContact CB-CE1 3.84Å; I43-F61 HydrophobicContact CD1-CE1 3.97Å; I43-F61 HydrophobicContact CD1-CZ 4.08Å; I43-F61 HydrophobicContact CG1-CE1 4.24Å; V59-F61 HydrophobicContact CG1-CE1 4.16Å; V59-F61 HydrophobicContact CG1-CZ 4.22Å; F61-A66 HydrophobicContact CB-CB 4.19Å; F61-I69 HydrophobicContact CD1-CD1 3.58Å; F61-I69 HydrophobicContact CE1-CD1 3.52Å; F61-I69 HydrophobicContact CG-CD1 4.29Å; F61-I69 HydrophobicContact CZ-CD1 4.19Å; F61-A87 HydrophobicContact CD2-CB 4.4Å; F61-V94 HydrophobicContact CZ-CG2 4.21Å; F61-L107 HydrophobicContact CE2-CD1 3.82Å; F61-L107 HydrophobicContact CZ-CD1 4.16Å; F61-H108 PolarHBondContact N-O 3.11Å; F61-H108 VanDerWaalsContact N-O 3.11Å; F61-T109 CarbonylContact O-C 3.59Å; F61-T109 VanDerWaalsContact O-CA 3.29Å; F61-T109 WeakPolarHBondContact O-CA 3.26Å; F61-D110 PolarHBondContact O-N 3.42Å; F61-W119 WeakPolarHBondContact O-CH2 3.42Å; F61-F139 AromaticContact CD2-CE1 3.8Å; F61-F139 HydrophobicContact CD2-CE1 3.8Å; F61-F139 HydrophobicContact CD2-CZ 4.08Å; F61-F139 HydrophobicContact CE2-CE1 4.06Å; F61-F139 HydrophobicContact CE2-CZ 4.28Å
62	S	98.9	Very high	98	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	27%	0.268	C	S	.	.			trans	-77.6	163	162.5	64.4	0	0	0	0	110.3	G64 G65 A66	S62-G64 PolarHBondContact O-N 3.48Å; S62-G65 PolarHBondContact O-N 3.13Å; S62-G65 PolarHBondContact OG-N 3.1Å; S62-G65 VanDerWaalsContact OG-N 3.11Å; S62-A66 WeakPolarHBondContact O-CB 3.46Å; S62-A66 PolarHBondContact O-N 3.01Å
63	N	98.7	Very high	97.9	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-53	-42.7	176.8	179.1	-88.3	0	0	0	111.8	S67 Q80 A83 L116 W119	N63-S67 WeakPolarHBondContact O-CB 3.18Å; N63-S67 PolarHBondContact O-N 3.31Å; N63-S67 PolarHBondContact O-OG 3.05Å; N63-Q80 PolarHBondContact ND2-OE1 3.04Å; N63-A83 WeakPolarHBondContact ND2-CB 3.48Å; N63-L116 HydrophobicContact CB-CD1 4.03Å; N63-W119 HydrophobicContact CB-CD2 4.25Å; N63-W119 HydrophobicContact CB-CE3 3.79Å; N63-W119 HydrophobicContact CB-CH2 4.09Å; N63-W119 HydrophobicContact CB-CZ3 3.7Å
64	G	98.4	Very high	97.9	Very high	47 Å²	47	43.5 Å²	43.5	49%	0.485	26%	0.262	S	S	.	.	H	α-helix	trans	-68.1	-41.3	174.7	0	0	0	0	0	113.4	S62 S67 F68	S62-G64 PolarHBondContact O-N 3.48Å; G64-S67 PolarHBondContact O-N 2.89Å; G64-F68 PolarHBondContact O-N 3.06Å
65	G	98.7	Very high	98	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-42.9	177.3	0	0	0	0	0	112.6	S62 F68 I69	S62-G65 PolarHBondContact O-N 3.13Å; S62-G65 PolarHBondContact OG-N 3.1Å; S62-G65 VanDerWaalsContact OG-N 3.11Å; G65-F68 WeakPolarHBondContact O-CB 3.25Å; G65-F68 PolarHBondContact O-N 2.86Å; G65-F68 VanDerWaalsContact O-N 3.16Å; G65-I69 WeakPolarHBondContact O-CG1 3.33Å; G65-I69 PolarHBondContact O-N 2.98Å
66	A	98.9	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-47.6	172.8	0	0	0	0	0	111.4	F61 S62 F68 I69 A70 A83 G86 A87 W119	F61-A66 HydrophobicContact CB-CB 4.19Å; S62-A66 WeakPolarHBondContact O-CB 3.46Å; S62-A66 PolarHBondContact O-N 3.01Å; A66-F68 PolarHBondContact O-N 3.45Å; A66-I69 WeakPolarHBondContact O-CB 3.43Å; A66-I69 PolarHBondContact O-N 3.42Å; A66-I69 VanDerWaalsContact O-N 3.1Å; A66-A70 PolarHBondContact O-N 3.39Å; A66-A70 VanDerWaalsContact O-N 3.13Å; A66-A83 HydrophobicContact CB-CB 4.3Å; A66-A83 WeakPolarHBondContact CB-O 3.38Å; A66-G86 VanDerWaalsContact O-CA 3.29Å; A66-G86 WeakPolarHBondContact O-CA 3.46Å; A66-A87 HydrophobicContact CB-CB 3.78Å; A66-W119 HydrophobicContact CB-CZ2 4.03Å
67	S	98.5	Very high	97.8	Very high	30 Å²	30	52.9 Å²	52.9	21%	0.21	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-33.9	175.4	-61	0	0	0	0	112.5	N63 G64 A70 G71 A83	N63-S67 WeakPolarHBondContact O-CB 3.18Å; N63-S67 PolarHBondContact O-N 3.31Å; N63-S67 PolarHBondContact O-OG 3.05Å; G64-S67 PolarHBondContact O-N 2.89Å; S67-A70 PolarHBondContact O-N 3.4Å; S67-G71 PolarHBondContact O-N 2.83Å; S67-A83 WeakPolarHBondContact OG-CB 3.27Å; S67-A83 PolarHBondContact OG-N 2.97Å
68	F	98.7	Very high	97.6	Very high	109 Å²	109	56.4 Å²	56.4	48%	0.478	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-40	175.8	-166.8	-81.8	0	0	0	112	V38 G64 G65 A66 A70 G71 K72	V38-F68 HydrophobicContact CB-CB 4.46Å; V38-F68 HydrophobicContact CB-CD1 4.03Å; V38-F68 HydrophobicContact CB-CG 4.42Å; V38-F68 HydrophobicContact CG2-CD1 4.42Å; V38-F68 WeakPolarHBondContact O-CD1 3.42Å; G64-F68 PolarHBondContact O-N 3.06Å; G65-F68 WeakPolarHBondContact O-CB 3.25Å; G65-F68 PolarHBondContact O-N 2.86Å; G65-F68 VanDerWaalsContact O-N 3.16Å; A66-F68 PolarHBondContact O-N 3.45Å; F68-A70 VanDerWaalsContact C-N 3.3Å; F68-A70 PolarHBondContact O-N 2.99Å; F68-G71 WeakPolarHBondContact O-CA 3.25Å; F68-G71 PolarHBondContact O-N 3.3Å; F68-K72 HydrophobicContact CD2-CG 4.43Å
69	I	98.8	Very high	97.4	Very high	35 Å²	35	59.7 Å²	59.7	18%	0.179	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-40.9	174.7	-66.5	167.8	0	0	0	111	V38 F61 G65 A66 G71 G86	V38-I69 VanDerWaalsContact O-CG1 3.26Å; V38-I69 WeakPolarHBondContact O-CG1 3.42Å; F61-I69 HydrophobicContact CD1-CD1 3.58Å; F61-I69 HydrophobicContact CE1-CD1 3.52Å; F61-I69 HydrophobicContact CG-CD1 4.29Å; F61-I69 HydrophobicContact CZ-CD1 4.19Å; G65-I69 WeakPolarHBondContact O-CG1 3.33Å; G65-I69 PolarHBondContact O-N 2.98Å; A66-I69 WeakPolarHBondContact O-CB 3.43Å; A66-I69 PolarHBondContact O-N 3.42Å; A66-I69 VanDerWaalsContact O-N 3.1Å; I69-G71 PolarHBondContact O-N 2.86Å; I69-G86 VanDerWaalsContact CG2-O 3.27Å; I69-G86 WeakPolarHBondContact CG2-O 3.4Å
70	A	98.5	Very high	97.4	Very high	31 Å²	31	62.3 Å²	62.3	26%	0.256	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-18.3	174.8	0	0	0	0	0	113.4	A66 S67 F68 V74 A82	A66-A70 PolarHBondContact O-N 3.39Å; A66-A70 VanDerWaalsContact O-N 3.13Å; S67-A70 PolarHBondContact O-N 3.4Å; F68-A70 VanDerWaalsContact C-N 3.3Å; F68-A70 PolarHBondContact O-N 2.99Å; A70-V74 HydrophobicContact CB-CB 4.49Å; A70-V74 HydrophobicContact CB-CG1 3.89Å; A70-A82 WeakPolarHBondContact CB-O 3.48Å
71	G	98.1	Very high	97.4	Very high	29 Å²	29	61.7 Å²	61.7	30%	0.299	36%	0.364	S	S	.	.			trans	88.1	130.7	-172.8	0	0	0	0	0	112	S67 F68 I69 G73 V74	S67-G71 PolarHBondContact O-N 2.83Å; F68-G71 WeakPolarHBondContact O-CA 3.25Å; F68-G71 PolarHBondContact O-N 3.3Å; I69-G71 PolarHBondContact O-N 2.86Å; G71-G73 PolarHBondContact O-N 2.97Å; G71-V74 WeakPolarHBondContact O-CB 3.5Å; G71-V74 VanDerWaalsContact O-CG1 3.31Å; G71-V74 WeakPolarHBondContact O-CG1 3.47Å; G71-V74 PolarHBondContact O-N 3.1Å
72	K	95.7	Very high	97.3	Very high	183 Å²	183	62.9 Å²	62.9	80%	0.796	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.7	-178.9	-68.8	-171.6	176.2	-176.5	0	115	F68	F68-K72 HydrophobicContact CD2-CG 4.43Å
73	G	97.3	Very high	97.3	Very high	72 Å²	72	61.2 Å²	61.2	74%	0.742	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.6	177.6	0	0	0	0	0	114.5	G71 K75	G71-G73 PolarHBondContact O-N 2.97Å; G73-K75 PolarHBondContact O-N 2.95Å
74	V	96.7	Very high	97.3	Very high	55 Å²	55	60.9 Å²	60.9	33%	0.333	36%	0.36	S	S	.	.			trans	-65.1	134.2	179.4	80.3	0	0	0	0	109.8	A70 G71 A82 L85	A70-V74 HydrophobicContact CB-CB 4.49Å; A70-V74 HydrophobicContact CB-CG1 3.89Å; G71-V74 WeakPolarHBondContact O-CB 3.5Å; G71-V74 VanDerWaalsContact O-CG1 3.31Å; G71-V74 WeakPolarHBondContact O-CG1 3.47Å; G71-V74 PolarHBondContact O-N 3.1Å; V74-A82 HydrophobicContact CG1-CB 3.41Å; V74-A82 VanDerWaalsContact CG1-CB 3.41Å; V74-L85 HydrophobicContact CG2-CD1 4.43Å
75	K	95.4	Very high	97.3	Very high	200 Å²	200	63 Å²	63	87%	0.87	36%	0.36	S	S	*	.			trans	-104.3	137.5	173.9	-63.4	-176.6	-178	179.8	0	108.5	G73	G73-K75 PolarHBondContact O-N 2.95Å
76	S	94.1	Very high	97.3	Very high	51 Å²	51	62.9 Å²	62.9	36%	0.357	36%	0.359	S	S	.	.			trans	-139.1	136.1	174	175.2	0	0	0	0	108.9	V78 G81	S76-V78 PolarHBondContact OG-N 3.39Å; S76-V78 VanDerWaalsContact OG-N 3.08Å; S76-V78 PolarHBondContact OG-O 3.41Å; S76-G81 WeakPolarHBondContact OG-CA 3.24Å
77	D	94.8	Very high	97.3	Very high	159 Å²	159	62.9 Å²	62.9	85%	0.85	36%	0.359	S	S	*	.	S	Bend	trans	-85	-16.5	168.8	57.9	-20.2	0	0	0	112.4
78	V	94.5	Very high	97.4	Very high	81 Å²	81	63.3 Å²	63.3	49%	0.491	36%	0.358	S	S	.	.	S	Bend	trans	-82.1	134.6	173.8	-173.8	0	0	0	0	110.6	S76 Q80 G81	S76-V78 PolarHBondContact OG-N 3.39Å; S76-V78 VanDerWaalsContact OG-N 3.08Å; S76-V78 PolarHBondContact OG-O 3.41Å; V78-Q80 PolarHBondContact O-N 2.96Å; V78-G81 PolarHBondContact O-N 3.27Å
79	P	95	Very high	97.4	Very high	87 Å²	87	61.4 Å²	61.4	57%	0.565	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	133.2	169.8	-26.4	34.9	0	0	0	111.5	G81 P118	P79-G81 PolarHBondContact O-N 2.92Å; P79-P118 HydrophobicContact CB-CB 4.12Å
80	Q	97.8	Very high	97.4	Very high	55 Å²	55	59.8 Å²	59.8	26%	0.257	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	11.9	-177.6	-53.2	-60.9	-39.8	0	0	115.1	N63 V78 A82 A83 I84 P118 W119	N63-Q80 PolarHBondContact ND2-OE1 3.04Å; V78-Q80 PolarHBondContact O-N 2.96Å; Q80-A82 VanDerWaalsContact C-N 3.3Å; Q80-A82 PolarHBondContact O-N 3.02Å; Q80-A83 WeakPolarHBondContact O-CA 3.2Å; Q80-A83 WeakPolarHBondContact O-CB 3.47Å; Q80-A83 PolarHBondContact O-N 2.81Å; Q80-I84 HydrophobicContact CB-CD1 4.32Å; Q80-I84 HydrophobicContact CB-CG1 4.46Å; Q80-I84 WeakPolarHBondContact O-CG1 3.31Å; Q80-I84 PolarHBondContact O-N 3.39Å; Q80-P118 HydrophobicContact CG-CB 4.17Å; Q80-W119 HydrophobicContact CB-CB 3.76Å; Q80-W119 HydrophobicContact CB-CG 4.5Å; Q80-W119 HydrophobicContact CG-CB 3.9Å
81	G	98.1	Very high	97.4	Very high	5 Å²	5	58.3 Å²	58.3	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-30.1	-170.6	0	0	0	0	0	115.2	S76 V78 P79 I84 L85	S76-G81 WeakPolarHBondContact OG-CA 3.24Å; V78-G81 PolarHBondContact O-N 3.27Å; P79-G81 PolarHBondContact O-N 2.92Å; G81-I84 PolarHBondContact O-N 3.44Å; G81-L85 WeakPolarHBondContact O-CB 3.35Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 2.88Å
82	A	98.3	Very high	97.4	Very high	26 Å²	26	61.4 Å²	61.4	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-46.9	171	0	0	0	0	0	111.7	A70 V74 Q80 G86	A70-A82 WeakPolarHBondContact CB-O 3.48Å; V74-A82 HydrophobicContact CG1-CB 3.41Å; V74-A82 VanDerWaalsContact CG1-CB 3.41Å; Q80-A82 VanDerWaalsContact C-N 3.3Å; Q80-A82 PolarHBondContact O-N 3.02Å; A82-G86 PolarHBondContact O-N 2.57Å
83	A	98.7	Very high	97.6	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-38.9	176.9	0	0	0	0	0	111.7	N63 A66 S67 Q80 A87 W119	N63-A83 WeakPolarHBondContact ND2-CB 3.48Å; A66-A83 HydrophobicContact CB-CB 4.3Å; A66-A83 WeakPolarHBondContact CB-O 3.38Å; S67-A83 WeakPolarHBondContact OG-CB 3.27Å; S67-A83 PolarHBondContact OG-N 2.97Å; Q80-A83 WeakPolarHBondContact O-CA 3.2Å; Q80-A83 WeakPolarHBondContact O-CB 3.47Å; Q80-A83 PolarHBondContact O-N 2.81Å; A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 3.27Å; A83-W119 HydrophobicContact CB-CD2 4.4Å; A83-W119 HydrophobicContact CB-CG 4.08Å; A83-W119 PolarHBondContact O-NE1 3.23Å
84	I	98.8	Very high	97.6	Very high	20 Å²	20	51.6 Å²	51.6	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-54.4	176.6	-64.2	164.3	0	0	0	110	Q80 G81 G86 A87 I88 L123	Q80-I84 HydrophobicContact CB-CD1 4.32Å; Q80-I84 HydrophobicContact CB-CG1 4.46Å; Q80-I84 WeakPolarHBondContact O-CG1 3.31Å; Q80-I84 PolarHBondContact O-N 3.39Å; G81-I84 PolarHBondContact O-N 3.44Å; I84-G86 VanDerWaalsContact C-N 3.35Å; I84-G86 PolarHBondContact O-N 3.39Å; I84-A87 PolarHBondContact O-N 3.39Å; I84-I88 HydrophobicContact CG2-CD1 3.72Å; I84-I88 WeakPolarHBondContact O-CD1 3.37Å; I84-I88 VanDerWaalsContact O-CG1 3.25Å; I84-I88 WeakPolarHBondContact O-CG1 3.43Å; I84-I88 PolarHBondContact O-N 3.47Å; I84-L123 HydrophobicContact CG2-CD2 4.26Å
85	L	98.6	Very high	97.7	Very high	93 Å²	93	50.8 Å²	50.8	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-44.1	-178.6	-72.3	169.6	0	0	0	112.1	V74 G81 I88 S89	V74-L85 HydrophobicContact CG2-CD1 4.43Å; G81-L85 WeakPolarHBondContact O-CB 3.35Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 2.88Å; L85-I88 PolarHBondContact O-N 2.94Å; L85-S89 WeakPolarHBondContact O-CB 3.37Å; L85-S89 PolarHBondContact O-N 3.32Å
86	G	98.8	Very high	97.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-72.3	-37.9	-177.6	0	0	0	0	0	113.3	A66 I69 A82 I84 S89 G90	A66-G86 VanDerWaalsContact O-CA 3.29Å; A66-G86 WeakPolarHBondContact O-CA 3.46Å; I69-G86 VanDerWaalsContact CG2-O 3.27Å; I69-G86 WeakPolarHBondContact CG2-O 3.4Å; A82-G86 PolarHBondContact O-N 2.57Å; I84-G86 VanDerWaalsContact C-N 3.35Å; I84-G86 PolarHBondContact O-N 3.39Å; G86-S89 PolarHBondContact O-N 3.04Å; G86-G90 PolarHBondContact O-N 2.82Å
87	A	98.9	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-42.4	172.3	0	0	0	0	0	111.2	F61 A66 A83 I84 G90 A91 L123 F139	F61-A87 HydrophobicContact CD2-CB 4.4Å; A66-A87 HydrophobicContact CB-CB 3.78Å; A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 3.27Å; I84-A87 PolarHBondContact O-N 3.39Å; A87-G90 PolarHBondContact O-N 3.41Å; A87-A91 VanDerWaalsContact O-CB 3.24Å; A87-A91 WeakPolarHBondContact O-CB 3.34Å; A87-A91 PolarHBondContact O-N 3.42Å; A87-L123 HydrophobicContact CB-CD1 4.06Å; A87-L123 HydrophobicContact CB-CD2 3.72Å; A87-F139 HydrophobicContact CB-CZ 3.95Å; A87-F139 WeakPolarHBondContact O-CZ 3.22Å
88	I	98.9	Very high	98.2	Very high	38 Å²	38	39.4 Å²	39.4	20%	0.195	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-45.7	175.3	-67.8	165.2	0	0	0	111.1	I84 L85 A91 H92 L123 A126 L138	I84-I88 HydrophobicContact CG2-CD1 3.72Å; I84-I88 WeakPolarHBondContact O-CD1 3.37Å; I84-I88 VanDerWaalsContact O-CG1 3.25Å; I84-I88 WeakPolarHBondContact O-CG1 3.43Å; I84-I88 PolarHBondContact O-N 3.47Å; L85-I88 PolarHBondContact O-N 2.94Å; I88-A91 WeakPolarHBondContact O-CB 3.42Å; I88-A91 PolarHBondContact O-N 3.41Å; I88-H92 PolarHBondContact O-CD2 2.93Å; I88-H92 PolarHBondContact O-N 2.92Å; I88-L123 HydrophobicContact CG1-CD2 4Å; I88-A126 HydrophobicContact CD1-CB 3.54Å; I88-A126 HydrophobicContact CG1-CB 3.98Å; I88-L138 HydrophobicContact CB-CD2 4.43Å; I88-L138 HydrophobicContact CG1-CD2 4.06Å; I88-L138 HydrophobicContact CG2-CD2 4.26Å
89	S	98.8	Very high	98.3	Very high	70 Å²	70	41.6 Å²	41.6	49%	0.49	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-46.7	177.9	-179.7	0	0	0	0	111.9	L85 G86 A91 H92 H93	L85-S89 WeakPolarHBondContact O-CB 3.37Å; L85-S89 PolarHBondContact O-N 3.32Å; G86-S89 PolarHBondContact O-N 3.04Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-A91 PolarHBondContact O-N 2.97Å; S89-H92 PolarHBondContact O-N 3.29Å; S89-H93 PolarHBondContact O-N 2.97Å
90	G	98.9	Very high	98.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-41.6	175.2	0	0	0	0	0	112.3	G86 A87 H93 V94	G86-G90 PolarHBondContact O-N 2.82Å; A87-G90 PolarHBondContact O-N 3.41Å; G90-H93 WeakPolarHBondContact O-CB 3.48Å; G90-H93 PolarHBondContact O-N 3.4Å; G90-V94 WeakPolarHBondContact O-CG2 3.19Å; G90-V94 PolarHBondContact O-N 3.1Å
91	A	98.9	Very high	98.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-48.2	177.6	0	0	0	0	0	112	A87 I88 S89 H93 V94 H95 L107 L138 F139	A87-A91 VanDerWaalsContact O-CB 3.24Å; A87-A91 WeakPolarHBondContact O-CB 3.34Å; A87-A91 PolarHBondContact O-N 3.42Å; I88-A91 WeakPolarHBondContact O-CB 3.42Å; I88-A91 PolarHBondContact O-N 3.41Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-A91 PolarHBondContact O-N 2.97Å; A91-H93 VanDerWaalsContact C-N 3.29Å; A91-H93 PolarHBondContact O-N 3.32Å; A91-V94 PolarHBondContact O-N 3.34Å; A91-V94 VanDerWaalsContact O-N 3.13Å; A91-H95 PolarHBondContact O-CD2 2.81Å; A91-H95 VanDerWaalsContact O-CD2 3.27Å; A91-H95 PolarHBondContact O-N 3.19Å; A91-L107 HydrophobicContact CB-CD2 3.57Å; A91-L138 HydrophobicContact CB-CD1 3.85Å; A91-L138 HydrophobicContact CB-CD2 4.18Å; A91-L138 HydrophobicContact CB-CG 3.83Å; A91-F139 HydrophobicContact CB-CE1 4.36Å; A91-F139 HydrophobicContact CB-CE2 3.89Å; A91-F139 HydrophobicContact CB-CZ 3.74Å
92	H	98.7	Very high	98.3	Very high	94 Å²	94	45.8 Å²	45.8	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-61	-37.6	177.4	-75.7	-56.3	0	0	0	112.8	I88 S89 H95 Q96	I88-H92 PolarHBondContact O-CD2 2.93Å; I88-H92 PolarHBondContact O-N 2.92Å; S89-H92 PolarHBondContact O-N 3.29Å; H92-H95 PolarHBondContact O-N 3.26Å; H92-Q96 WeakPolarHBondContact O-CB 3.2Å; H92-Q96 PolarHBondContact O-N 3.46Å
93	H	98.8	Very high	98.2	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-44.2	173.4	-175.2	74.4	0	0	0	111.9	N44 S89 G90 A91 Q96 M97	N44-H93 PolarHBondContact OD1-NE2 3.45Å; S89-H93 PolarHBondContact O-N 2.97Å; G90-H93 WeakPolarHBondContact O-CB 3.48Å; G90-H93 PolarHBondContact O-N 3.4Å; A91-H93 VanDerWaalsContact C-N 3.29Å; A91-H93 PolarHBondContact O-N 3.32Å; H93-Q96 PolarHBondContact O-N 3.25Å; H93-M97 WeakPolarHBondContact O-CB 3.36Å; H93-M97 WeakPolarHBondContact O-CG 3.35Å; H93-M97 PolarHBondContact O-N 3.42Å
94	V	98.9	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-46.7	177.5	178.4	0	0	0	0	111.2	V12 I43 V59 F61 G90 A91 Q96 M97 A98 V105 L107	V12-V94 HydrophobicContact CG2-CG1 3.75Å; I43-V94 HydrophobicContact CD1-CG2 4.24Å; I43-V94 HydrophobicContact CG1-CG2 4.45Å; I43-V94 HydrophobicContact CG2-CG2 3.67Å; V59-V94 HydrophobicContact CG1-CG2 3.93Å; F61-V94 HydrophobicContact CZ-CG2 4.21Å; G90-V94 WeakPolarHBondContact O-CG2 3.19Å; G90-V94 PolarHBondContact O-N 3.1Å; A91-V94 PolarHBondContact O-N 3.34Å; A91-V94 VanDerWaalsContact O-N 3.13Å; V94-Q96 VanDerWaalsContact C-N 3.32Å; V94-Q96 PolarHBondContact O-N 3.24Å; V94-M97 PolarHBondContact O-N 3.29Å; V94-A98 HydrophobicContact CG1-CB 4.46Å; V94-A98 WeakPolarHBondContact O-CB 3.36Å; V94-A98 PolarHBondContact O-N 3.33Å; V94-V105 HydrophobicContact CG1-CB 4.43Å; V94-V105 HydrophobicContact CG1-CG1 3.81Å; V94-L107 HydrophobicContact CB-CD1 4.16Å; V94-L107 HydrophobicContact CB-CD2 4.38Å; V94-L107 HydrophobicContact CG1-CD1 4.16Å; V94-L107 HydrophobicContact CG2-CD1 3.95Å
95	H	98.3	Very high	98.2	Very high	38 Å²	38	43.6 Å²	43.6	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-54.2	-48.7	176.2	-87.5	-84.5	0	0	0	111.6	V12 A91 H92 M97 L138	V12-H95 VanDerWaalsContact CB-CE1 3.49Å; V12-H95 WeakPolarHBondContact CB-CE1 3.41Å; V12-H95 HydrophobicContact CG2-CB 4.48Å; A91-H95 PolarHBondContact O-CD2 2.81Å; A91-H95 VanDerWaalsContact O-CD2 3.27Å; A91-H95 PolarHBondContact O-N 3.19Å; H92-H95 PolarHBondContact O-N 3.26Å; H95-M97 PolarHBondContact O-N 2.95Å; H95-L138 PolarHBondContact NE2-O 2.85Å
96	Q	97.6	Very high	98.2	Very high	118 Å²	118	39.2 Å²	39.2	55%	0.551	20%	0.198	S	C	*	.	H	α-helix	trans	-62.9	-44.1	-179.9	-173.8	64.7	44.3	0	0	112.1	H92 H93 V94 H100	H92-Q96 WeakPolarHBondContact O-CB 3.2Å; H92-Q96 PolarHBondContact O-N 3.46Å; H93-Q96 PolarHBondContact O-N 3.25Å; V94-Q96 VanDerWaalsContact C-N 3.32Å; V94-Q96 PolarHBondContact O-N 3.24Å; Q96-H100 PolarHBondContact NE2-NE2 3.39Å; Q96-H100 PolarHBondContact O-CD2 3.29Å
97	M	98.6	Very high	98.2	Very high	52 Å²	52	39.2 Å²	39.2	26%	0.256	20%	0.198	S	C	.	.	H	α-helix	trans	-87.1	-34	-169.4	-64.6	-51.5	-58.5	0	0	113.5	L47 H93 V94 H95 E99 H100 Y101	L47-M97 HydrophobicContact CD1-CB 3.58Å; H93-M97 WeakPolarHBondContact O-CB 3.36Å; H93-M97 WeakPolarHBondContact O-CG 3.35Å; H93-M97 PolarHBondContact O-N 3.42Å; V94-M97 PolarHBondContact O-N 3.29Å; H95-M97 PolarHBondContact O-N 2.95Å; M97-E99 VanDerWaalsContact C-N 3.28Å; M97-E99 PolarHBondContact O-N 2.81Å; M97-H100 PolarHBondContact O-N 3.33Å; M97-Y101 HydrophobicContact CB-CD2 4.26Å; M97-Y101 HydrophobicContact CB-CE2 4.36Å; M97-Y101 HydrophobicContact CE-CD2 4.43Å; M97-Y101 HydrophobicContact CE-CE2 3.92Å; M97-Y101 WeakPolarHBondContact O-CD2 3.16Å; M97-Y101 PolarHBondContact O-N 3.47Å
98	A	98.4	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-38.3	-175.4	0	0	0	0	0	112.8	L47 V94 Y101 G102 V103 V105	L47-A98 HydrophobicContact CD2-CB 4.33Å; V94-A98 HydrophobicContact CG1-CB 4.46Å; V94-A98 WeakPolarHBondContact O-CB 3.36Å; V94-A98 PolarHBondContact O-N 3.33Å; A98-Y101 PolarHBondContact O-N 2.92Å; A98-G102 PolarHBondContact O-N 2.94Å; A98-V103 PolarHBondContact O-N 3.25Å; A98-V105 HydrophobicContact CB-CB 4.21Å; A98-V105 HydrophobicContact CB-CG2 3.65Å
99	E	96.1	Very high	98.2	Very high	127 Å²	127	37.5 Å²	37.5	59%	0.593	19%	0.189	S	C	*	.	H	α-helix	trans	-61.6	-43.7	174.9	-66.2	-171.7	175	0	0	111.8	M97 G102	M97-E99 VanDerWaalsContact C-N 3.28Å; M97-E99 PolarHBondContact O-N 2.81Å; E99-G102 PolarHBondContact O-N 3.47Å; E99-G102 VanDerWaalsContact O-N 3.09Å
100	H	97.6	Very high	98.2	Very high	134 Å²	134	35.1 Å²	35.1	62%	0.62	17%	0.171	S	C	*	.	H	α-helix	trans	-73	-29.3	-179.2	-67.2	-57	0	0	0	113.7	Q96 M97 G102	Q96-H100 PolarHBondContact NE2-NE2 3.39Å; Q96-H100 PolarHBondContact O-CD2 3.29Å; M97-H100 PolarHBondContact O-N 3.33Å; H100-G102 PolarHBondContact O-N 2.96Å
101	Y	98	Very high	98.2	Very high	70 Å²	70	39.2 Å²	39.2	28%	0.275	19%	0.19	S	C	.	.	H	α-helix	trans	-73.5	-14.2	169.5	-83.9	-81.7	0	0	0	112.6	L47 E48 A51 M97 A98 V103	L47-Y101 HydrophobicContact CB-CD1 4.19Å; L47-Y101 HydrophobicContact CB-CD2 3.57Å; L47-Y101 HydrophobicContact CB-CE1 4.42Å; L47-Y101 HydrophobicContact CB-CE2 3.83Å; L47-Y101 HydrophobicContact CB-CG 3.76Å; L47-Y101 HydrophobicContact CD1-CD2 3.83Å; L47-Y101 HydrophobicContact CD1-CE2 4.07Å; L47-Y101 HydrophobicContact CG-CD2 4.32Å; E48-Y101 VanDerWaalsContact CA-CE1 3.46Å; E48-Y101 HydrophobicContact CB-CD1 4.5Å; E48-Y101 HydrophobicContact CB-CE1 3.71Å; E48-Y101 HydrophobicContact CG-CE1 4.23Å; A51-Y101 HydrophobicContact CB-CD1 4.07Å; M97-Y101 HydrophobicContact CB-CD2 4.26Å; M97-Y101 HydrophobicContact CB-CE2 4.36Å; M97-Y101 HydrophobicContact CE-CD2 4.43Å; M97-Y101 HydrophobicContact CE-CE2 3.92Å; M97-Y101 WeakPolarHBondContact O-CD2 3.16Å; M97-Y101 PolarHBondContact O-N 3.47Å; A98-Y101 PolarHBondContact O-N 2.92Å; Y101-V103 VanDerWaalsContact C-N 3.32Å
102	G	96.5	Very high	98.2	Very high	31 Å²	31	39.2 Å²	39.2	32%	0.32	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	27.3	-177.7	0	0	0	0	0	112.8	A98 E99 H100	A98-G102 PolarHBondContact O-N 2.94Å; E99-G102 PolarHBondContact O-N 3.47Å; E99-G102 VanDerWaalsContact O-N 3.09Å; H100-G102 PolarHBondContact O-N 2.96Å
103	V	96.4	Very high	98.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.178	C	C	.	.			trans	-116.1	132	-172.7	178.1	0	0	0	0	110.8	G11 A50 A51 V57 A98 Y101 V105	G11-V103 PolarHBondContact N-O 3.16Å; A50-V103 HydrophobicContact CB-CG1 3.68Å; A50-V103 HydrophobicContact CB-CG2 4.15Å; A51-V103 VanDerWaalsContact CA-CG2 3.49Å; A51-V103 HydrophobicContact CB-CG2 3.65Å; V57-V103 HydrophobicContact CG1-CG1 4.17Å; A98-V103 PolarHBondContact O-N 3.25Å; Y101-V103 VanDerWaalsContact C-N 3.32Å; V103-V105 HydrophobicContact CB-CG2 4.43Å; V103-V105 HydrophobicContact CG1-CG2 4Å
104	P	97.6	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.1	165.9	27.3	-29.9	0	0	0	110.3	I4 F5 V8 G11 I13 P56 V57	I4-P104 HydrophobicContact CG2-CG 4.4Å; F5-P104 VanDerWaalsContact CE1-CD 3.41Å; F5-P104 HydrophobicContact CE1-CG 4.1Å; F5-P104 HydrophobicContact CE2-CG 4.49Å; F5-P104 HydrophobicContact CZ-CG 4.03Å; V8-P104 HydrophobicContact CG2-CB 3.66Å; V8-P104 HydrophobicContact CG2-CG 3.93Å; G11-P104 WeakPolarHBondContact O-CA 3.49Å; I13-P104 HydrophobicContact CG2-CB 3.97Å; P56-P104 VanDerWaalsContact CA-O 3.31Å; P56-P104 WeakPolarHBondContact CA-O 3.41Å; P56-P104 HydrophobicContact CB-CG 3.98Å; V57-P104 PolarHBondContact N-O 2.94Å
105	V	98.7	Very high	98.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.7	-176.4	180	0	0	0	0	110	G11 V12 I13 L47 V57 V59 V94 A98 V103	G11-V105 PolarHBondContact O-N 3.36Å; V12-V105 CarbonylContact C-O 3.57Å; V12-V105 VanDerWaalsContact CA-O 3.29Å; V12-V105 WeakPolarHBondContact CA-O 3.31Å; I13-V105 PolarHBondContact N-O 3.03Å; L47-V105 HydrophobicContact CD2-CG2 3.53Å; V57-V105 HydrophobicContact CG1-CG2 4.08Å; V57-V105 WeakPolarHBondContact O-CA 3.3Å; V59-V105 HydrophobicContact CB-CG1 4.09Å; V59-V105 HydrophobicContact CG2-CG1 3.82Å; V94-V105 HydrophobicContact CG1-CB 4.43Å; V94-V105 HydrophobicContact CG1-CG1 3.81Å; A98-V105 HydrophobicContact CB-CB 4.21Å; A98-V105 HydrophobicContact CB-CG2 3.65Å; V103-V105 HydrophobicContact CB-CG2 4.43Å; V103-V105 HydrophobicContact CG1-CG2 4Å
106	I	98.8	Very high	98.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116.4	163.8	-63	171.7	0	0	0	106.4	I13 V18 V21 F22 L32 V57 I58 V59	I13-I106 HydrophobicContact CD1-CD1 4.38Å; I13-I106 HydrophobicContact CD1-CG1 3.74Å; I13-I106 HydrophobicContact CG1-CG1 3.76Å; V18-I106 HydrophobicContact CG1-CD1 4.19Å; V18-I106 HydrophobicContact CG2-CG1 4.38Å; V21-I106 HydrophobicContact CG1-CD1 4.26Å; F22-I106 HydrophobicContact CE1-CD1 3.98Å; F22-I106 HydrophobicContact CZ-CD1 4.08Å; L32-I106 HydrophobicContact CD1-CD1 4.13Å; V57-I106 PolarHBondContact O-N 3.1Å; I58-I106 CarbonylContact C-O 3.57Å; I58-I106 VanDerWaalsContact CA-O 3.25Å; I58-I106 WeakPolarHBondContact CA-O 3.4Å; I58-I106 HydrophobicContact CB-CB 4.4Å; I58-I106 HydrophobicContact CG1-CB 3.69Å; I58-I106 HydrophobicContact CG1-CD1 4.05Å; I58-I106 HydrophobicContact CG1-CG1 4.39Å; I58-I106 HydrophobicContact CG1-CG2 3.97Å; I58-I106 HydrophobicContact CG2-CG2 4.46Å; V59-I106 PolarHBondContact N-O 2.8Å
107	L	98.9	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.4	179.2	-176.9	60.7	0	0	0	109.8	V12 V59 F61 A91 V94 F139 S140 S141	V12-L107 HydrophobicContact CG1-CB 3.75Å; V12-L107 HydrophobicContact CG2-CB 4.29Å; V12-L107 HydrophobicContact CG2-CD2 4.42Å; V59-L107 HydrophobicContact CB-CD1 4.21Å; V59-L107 HydrophobicContact CG1-CD1 4.08Å; F61-L107 HydrophobicContact CE2-CD1 3.82Å; F61-L107 HydrophobicContact CZ-CD1 4.16Å; A91-L107 HydrophobicContact CB-CD2 3.57Å; V94-L107 HydrophobicContact CB-CD1 4.16Å; V94-L107 HydrophobicContact CB-CD2 4.38Å; V94-L107 HydrophobicContact CG1-CD1 4.16Å; V94-L107 HydrophobicContact CG2-CD1 3.95Å; L107-F139 HydrophobicContact CD1-CE1 4.29Å; L107-F139 HydrophobicContact CD2-CD1 4.1Å; L107-F139 HydrophobicContact CD2-CE1 4.16Å; L107-F139 HydrophobicContact CG-CD1 3.67Å; L107-F139 HydrophobicContact CG-CE1 3.86Å; L107-F139 HydrophobicContact CG-CG 4.47Å; L107-S140 PolarHBondContact N-OG 2.97Å; L107-S140 WeakPolarHBondContact O-CA 3.45Å; L107-S140 VanDerWaalsContact O-CB 3.31Å; L107-S140 WeakPolarHBondContact O-CB 3.29Å; L107-S140 PolarHBondContact O-N 2.86Å; L107-S141 PolarHBondContact O-N 3.02Å
108	H	99	Very high	98.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.8	-166.2	-175	59.2	0	0	0	112.9	I58 V59 Q60 F61 S141 M143 E173	I58-H108 HydrophobicContact CG2-CB 3.7Å; V59-H108 PolarHBondContact O-N 2.77Å; Q60-H108 VanDerWaalsContact CA-O 3.3Å; Q60-H108 WeakPolarHBondContact CA-O 3.38Å; Q60-H108 HydrophobicContact CB-CB 3.99Å; F61-H108 PolarHBondContact N-O 3.11Å; F61-H108 VanDerWaalsContact N-O 3.11Å; H108-S141 WeakPolarHBondContact CA-O 3.34Å; H108-S141 PolarHBondContact ND1-O 2.69Å; H108-S141 PolarHBondContact ND1-OG 3.13Å; H108-M143 PolarHBondContact CE1-N 3.22Å; H108-E173 IonicContact CE1-OE2 3.82Å; H108-E173 IonicContact NE2-OE2 3.33Å
109	T	98.9	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.9	164.7	65.8	0	0	0	0	110.8	F61 W119 L123 F139 S141 H142 M143	F61-T109 CarbonylContact O-C 3.59Å; F61-T109 VanDerWaalsContact O-CA 3.29Å; F61-T109 WeakPolarHBondContact O-CA 3.26Å; T109-W119 HydrophobicContact CG2-CH2 4.3Å; T109-W119 HydrophobicContact CG2-CZ2 4.15Å; T109-L123 HydrophobicContact CG2-CD1 3.73Å; T109-F139 HydrophobicContact CG2-CD1 3.79Å; T109-F139 HydrophobicContact CG2-CE1 3.56Å; T109-F139 HydrophobicContact CG2-CZ 4.09Å; T109-S141 PolarHBondContact N-O 2.86Å; T109-H142 WeakPolarHBondContact CG2-ND1 3.29Å; T109-H142 WeakPolarHBondContact OG1-CA 3.5Å; T109-H142 PolarHBondContact OG1-ND1 3.39Å; T109-M143 VanDerWaalsContact O-CB 3.22Å; T109-M143 WeakPolarHBondContact O-CB 3.27Å; T109-M143 PolarHBondContact O-N 3.17Å
110	D	98.7	Very high	98.3	Very high	19 Å²	19	34.1 Å²	34.1	10%	0.102	17%	0.171	C	C	.	.			trans	-78.8	-178	-175.3	-153.7	0.5	0	0	0	112.5	N36 Q60 F61 C112	N36-D110 PolarHBondContact ND2-OD2 2.9Å; Q60-D110 PolarHBondContact NE2-OD1 2.93Å; Q60-D110 PolarHBondContact NE2-OD2 3.33Å; Q60-D110 VanDerWaalsContact NE2-OD2 3.17Å; F61-D110 PolarHBondContact O-N 3.42Å; D110-C112 PolarHBondContact O-N 3.46Å
111	H	98.7	Very high	98.3	Very high	88 Å²	88	30.3 Å²	30.3	41%	0.407	16%	0.156	S	C	.	.			trans	-24.5	118.1	-177.5	-62	69.6	0	0	0	115.5	M143 D145 E175	H111-M143 HydrophobicContact CB-SD 4.33Å; H111-M143 PolarHBondContact N-SD 2.76Å; H111-D145 HydrophobicContact CB-CB 4.39Å; H111-D145 IonicContact CD2-OD2 3.13Å; H111-D145 PolarHBondContact CD2-OD2 3.48Å; H111-E175 IonicContact CD2-OE2 3.68Å; H111-E175 PolarHBondContact CD2-OE2 2.97Å; H111-E175 IonicContact NE2-OE2 2.69Å; H111-E175 PolarHBondContact NE2-OE2 3.17Å
112	C	98.8	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.			trans	-126.8	92.1	174.9	-178.2	0	0	0	0	110.8	D110 L116 W119 I120 M143 D145	D110-C112 PolarHBondContact O-N 3.46Å; C112-L116 PolarHBondContact SG-O 3.24Å; C112-W119 HydrophobicContact CB-CE3 4.31Å; C112-W119 HydrophobicContact CB-CZ3 4.37Å; C112-I120 HydrophobicContact CB-CD1 4.37Å; C112-I120 HydrophobicContact CB-CG1 3.89Å; C112-I120 VanDerWaalsContact SG-CG1 3.51Å; C112-M143 VanDerWaalsContact CB-O 3.31Å; C112-M143 WeakPolarHBondContact CB-O 3.18Å; C112-D145 PolarHBondContact O-N 3.26Å; C112-D145 VanDerWaalsContact O-N 3.13Å
113	A	98.2	Very high	98.5	Very high	23 Å²	23	26.2 Å²	26.2	19%	0.19	13%	0.134	C	C	.	.			trans	-62.5	163	171.4	0	0	0	0	0	112.7	K115 L116 L117 D145	A113-K115 HydrophobicContact CB-CG 4.44Å; A113-K115 PolarHBondContact O-N 2.87Å; A113-K115 VanDerWaalsContact O-N 3.08Å; A113-L116 WeakPolarHBondContact O-CA 3.42Å; A113-L116 WeakPolarHBondContact O-CB 3.29Å; A113-L116 PolarHBondContact O-N 3.39Å; A113-L117 PolarHBondContact O-N 3.35Å; A113-D145 VanDerWaalsContact CA-O 3.25Å; A113-D145 WeakPolarHBondContact CA-O 3.34Å
114	K	98.1	Very high	98.6	Very high	74 Å²	74	26.1 Å²	26.1	32%	0.322	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-49.3	-41.4	-179.1	-162.1	170.9	-174.4	179.2	0	113.7	L116 L117 L146 E149 E153	K114-L116 PolarHBondContact O-N 2.74Å; K114-L117 HydrophobicContact CG-CD1 4.22Å; K114-L117 WeakPolarHBondContact O-CG 3.3Å; K114-L117 PolarHBondContact O-N 3.29Å; K114-L146 HydrophobicContact CB-CD2 3.7Å; K114-L146 HydrophobicContact CG-CD2 4.31Å; K114-E149 VanDerWaalsContact CD-CD 3.43Å; K114-E149 HydrophobicContact CD-CG 4.08Å; K114-E149 WeakPolarHBondContact CD-OE1 3.46Å; K114-E149 IonicContact NZ-OE1 3.48Å; K114-E149 IonicContact NZ-OE2 2.72Å; K114-E149 PolarHBondContact NZ-OE2 2.99Å; K114-E153 WeakPolarHBondContact CE-OE1 3.49Å; K114-E153 VanDerWaalsContact NZ-CD 3.26Å; K114-E153 IonicContact NZ-OE1 3.78Å; K114-E153 PolarHBondContact NZ-OE1 3.11Å; K114-E153 IonicContact NZ-OE2 3.37Å; K114-E153 PolarHBondContact NZ-OE2 2.89Å
115	K	97.5	Very high	98.6	Very high	171 Å²	171	29.8 Å²	29.8	74%	0.743	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-66.9	-17.1	177.6	71.2	-171.7	175.8	-164.5	0	114.6	A113	A113-K115 HydrophobicContact CB-CG 4.44Å; A113-K115 PolarHBondContact O-N 2.87Å; A113-K115 VanDerWaalsContact O-N 3.08Å
116	L	98.4	Very high	98.6	Very high	30 Å²	30	30.7 Å²	30.7	16%	0.157	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-101.9	-4.1	-178.7	-59.2	-178.5	0	0	0	112.8	N63 C112 A113 K114 P118 W119	N63-L116 HydrophobicContact CB-CD1 4.03Å; C112-L116 PolarHBondContact SG-O 3.24Å; A113-L116 WeakPolarHBondContact O-CA 3.42Å; A113-L116 WeakPolarHBondContact O-CB 3.29Å; A113-L116 PolarHBondContact O-N 3.39Å; K114-L116 PolarHBondContact O-N 2.74Å; L116-P118 VanDerWaalsContact C-N 3.25Å; L116-P118 VanDerWaalsContact O-N 3.07Å; L116-W119 WeakPolarHBondContact O-CA 3.21Å; L116-W119 WeakPolarHBondContact O-CB 3.35Å; L116-W119 PolarHBondContact O-N 2.84Å
117	L	98.6	Very high	98.6	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-48.7	-35.4	-180	-71.3	175	0	0	0	115.3	A113 K114 W119 I120 D121 I144 I157 Y161	A113-L117 PolarHBondContact O-N 3.35Å; K114-L117 HydrophobicContact CG-CD1 4.22Å; K114-L117 WeakPolarHBondContact O-CG 3.3Å; K114-L117 PolarHBondContact O-N 3.29Å; L117-W119 PolarHBondContact O-N 3Å; L117-I120 PolarHBondContact O-N 3.44Å; L117-D121 PolarHBondContact O-N 2.76Å; L117-I144 HydrophobicContact CD2-CD1 4.35Å; L117-I144 HydrophobicContact CD2-CG1 4.48Å; L117-I144 HydrophobicContact CD2-CG2 4.45Å; L117-I157 HydrophobicContact CD1-CG2 4.31Å; L117-Y161 HydrophobicContact CD1-CE2 4.36Å; L117-Y161 HydrophobicContact CD2-CE2 3.79Å
118	P	98.5	Very high	98.6	Very high	52 Å²	52	34 Å²	34	34%	0.338	18%	0.177	S	C	.	.	H	α-helix	trans	-56.5	-23.6	173.2	-27.9	36.5	0	0	0	114.7	P79 Q80 L116 G122	P79-P118 HydrophobicContact CB-CB 4.12Å; Q80-P118 HydrophobicContact CG-CB 4.17Å; L116-P118 VanDerWaalsContact C-N 3.25Å; L116-P118 VanDerWaalsContact O-N 3.07Å; P118-G122 PolarHBondContact O-N 3.45Å; P118-G122 VanDerWaalsContact O-N 3.13Å
119	W	98.8	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-52.4	172.3	179.1	35.6	0	0	0	111.1	F61 N63 A66 Q80 A83 T109 C112 L116 L117 D121 G122 L123	F61-W119 WeakPolarHBondContact O-CH2 3.42Å; N63-W119 HydrophobicContact CB-CD2 4.25Å; N63-W119 HydrophobicContact CB-CE3 3.79Å; N63-W119 HydrophobicContact CB-CH2 4.09Å; N63-W119 HydrophobicContact CB-CZ3 3.7Å; A66-W119 HydrophobicContact CB-CZ2 4.03Å; Q80-W119 HydrophobicContact CB-CB 3.76Å; Q80-W119 HydrophobicContact CB-CG 4.5Å; Q80-W119 HydrophobicContact CG-CB 3.9Å; A83-W119 HydrophobicContact CB-CD2 4.4Å; A83-W119 HydrophobicContact CB-CG 4.08Å; A83-W119 PolarHBondContact O-NE1 3.23Å; T109-W119 HydrophobicContact CG2-CH2 4.3Å; T109-W119 HydrophobicContact CG2-CZ2 4.15Å; C112-W119 HydrophobicContact CB-CE3 4.31Å; C112-W119 HydrophobicContact CB-CZ3 4.37Å; L116-W119 WeakPolarHBondContact O-CA 3.21Å; L116-W119 WeakPolarHBondContact O-CB 3.35Å; L116-W119 PolarHBondContact O-N 2.84Å; L117-W119 PolarHBondContact O-N 3Å; W119-D121 VanDerWaalsContact C-N 3.31Å; W119-D121 PolarHBondContact O-N 3.2Å; W119-G122 PolarHBondContact O-N 3.37Å; W119-L123 HydrophobicContact CD2-CD1 4.47Å; W119-L123 HydrophobicContact CZ2-CD1 4.2Å; W119-L123 WeakPolarHBondContact O-CG 3.35Å; W119-L123 PolarHBondContact O-N 3.4Å
120	I	98.8	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-38.8	177.9	-63.4	-58.6	0	0	0	110.5	C112 L117 G122 L123 L124 H142 Y161	C112-I120 HydrophobicContact CB-CD1 4.37Å; C112-I120 HydrophobicContact CB-CG1 3.89Å; C112-I120 VanDerWaalsContact SG-CG1 3.51Å; L117-I120 PolarHBondContact O-N 3.44Å; I120-G122 VanDerWaalsContact C-N 3.34Å; I120-G122 PolarHBondContact O-N 3.14Å; I120-L123 HydrophobicContact CD1-CD1 4.45Å; I120-L123 PolarHBondContact O-N 2.83Å; I120-L123 VanDerWaalsContact O-N 3.15Å; I120-L124 HydrophobicContact CG2-CD1 3.9Å; I120-L124 HydrophobicContact CG2-CG 4.11Å; I120-L124 WeakPolarHBondContact O-CB 3.37Å; I120-L124 VanDerWaalsContact O-CG 3.32Å; I120-L124 WeakPolarHBondContact O-CG 3.06Å; I120-L124 PolarHBondContact O-N 3.07Å; I120-H142 HydrophobicContact CD1-CB 3.99Å; I120-Y161 HydrophobicContact CG2-CD1 4.07Å; I120-Y161 HydrophobicContact CG2-CE1 3.91Å
121	D	98.7	Very high	98.6	Very high	54 Å²	54	45.6 Å²	45.6	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-48.6	175.3	-65.2	-30.1	0	0	0	111.6	L117 W119 L123 L124 D125 Y161	L117-D121 PolarHBondContact O-N 2.76Å; W119-D121 VanDerWaalsContact C-N 3.31Å; W119-D121 PolarHBondContact O-N 3.2Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 3.29Å; D121-L124 PolarHBondContact O-N 3.08Å; D121-D125 PolarHBondContact O-N 3.15Å; D121-Y161 VanDerWaalsContact OD1-CE1 3.23Å; D121-Y161 WeakPolarHBondContact OD1-CE1 3.4Å; D121-Y161 PolarHBondContact OD1-OH 3.32Å; D121-Y161 PolarHBondContact OD2-OH 2.79Å
122	G	98.7	Very high	98.6	Very high	14 Å²	14	45.7 Å²	45.7	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-32.2	177.5	0	0	0	0	0	113.9	P118 W119 I120 A126	P118-G122 PolarHBondContact O-N 3.45Å; P118-G122 VanDerWaalsContact O-N 3.13Å; W119-G122 PolarHBondContact O-N 3.37Å; I120-G122 VanDerWaalsContact C-N 3.34Å; I120-G122 PolarHBondContact O-N 3.14Å; G122-A126 PolarHBondContact O-N 2.86Å
123	L	98.9	Very high	98.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-72.6	-35.4	174.2	-66.6	-174.7	0	0	0	112.6	I84 A87 I88 T109 W119 I120 D121 A126 G127 F139	I84-L123 HydrophobicContact CG2-CD2 4.26Å; A87-L123 HydrophobicContact CB-CD1 4.06Å; A87-L123 HydrophobicContact CB-CD2 3.72Å; I88-L123 HydrophobicContact CG1-CD2 4Å; T109-L123 HydrophobicContact CG2-CD1 3.73Å; W119-L123 HydrophobicContact CD2-CD1 4.47Å; W119-L123 HydrophobicContact CZ2-CD1 4.2Å; W119-L123 WeakPolarHBondContact O-CG 3.35Å; W119-L123 PolarHBondContact O-N 3.4Å; I120-L123 HydrophobicContact CD1-CD1 4.45Å; I120-L123 PolarHBondContact O-N 2.83Å; I120-L123 VanDerWaalsContact O-N 3.15Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 3.29Å; L123-A126 PolarHBondContact O-N 2.8Å; L123-G127 PolarHBondContact O-N 3.06Å; L123-F139 HydrophobicContact CD1-CE2 4.38Å; L123-F139 HydrophobicContact CD2-CE2 4.2Å
124	L	98.9	Very high	98.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-40.4	173.8	-69.1	176.2	0	0	0	111.2	I120 D121 A126 G127 E128 Y161 R164 M165 M170	I120-L124 HydrophobicContact CG2-CD1 3.9Å; I120-L124 HydrophobicContact CG2-CG 4.11Å; I120-L124 WeakPolarHBondContact O-CB 3.37Å; I120-L124 VanDerWaalsContact O-CG 3.32Å; I120-L124 WeakPolarHBondContact O-CG 3.06Å; I120-L124 PolarHBondContact O-N 3.07Å; D121-L124 PolarHBondContact O-N 3.08Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.16Å; L124-G127 CarbonylContact O-C 3.57Å; L124-G127 PolarHBondContact O-N 3.3Å; L124-G127 VanDerWaalsContact O-N 3.14Å; L124-E128 WeakPolarHBondContact O-CB 3.16Å; L124-E128 VanDerWaalsContact O-CG 3.26Å; L124-E128 WeakPolarHBondContact O-CG 3.39Å; L124-E128 PolarHBondContact O-N 3.17Å; L124-Y161 HydrophobicContact CD1-CD1 3.76Å; L124-Y161 HydrophobicContact CD1-CE1 4.03Å; L124-R164 VanDerWaalsContact CB-CZ 3.49Å; L124-R164 HydrophobicContact CD1-CG 4.38Å; L124-M165 HydrophobicContact CD1-CG 4.29Å; L124-M165 HydrophobicContact CD2-CG 3.67Å; L124-M170 HydrophobicContact CD2-SD 4.08Å
125	D	98.7	Very high	98.4	Very high	76 Å²	76	51.1 Å²	51.1	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-58.4	-42.5	173.3	-71.9	-2.3	0	0	0	111.7	D121 K129 R164	D121-D125 PolarHBondContact O-N 3.15Å; D125-K129 WeakPolarHBondContact O-CG 3.43Å; D125-K129 PolarHBondContact O-N 2.88Å; D125-R164 IonicContact OD1-CZ 2.83Å; D125-R164 IonicContact OD1-NH1 2.63Å; D125-R164 IonicContact OD1-NH2 3.82Å; D125-R164 PolarHBondContact OD1-NH2 3.5Å
126	A	98.6	Very high	98.4	Very high	20 Å²	20	48.1 Å²	48.1	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-40.7	175	0	0	0	0	0	112	I88 G122 L123 L124 K129 H130 L138	I88-A126 HydrophobicContact CD1-CB 3.54Å; I88-A126 HydrophobicContact CG1-CB 3.98Å; G122-A126 PolarHBondContact O-N 2.86Å; L123-A126 PolarHBondContact O-N 2.8Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.16Å; A126-K129 PolarHBondContact O-N 3.49Å; A126-H130 WeakPolarHBondContact O-CB 3.05Å; A126-H130 PolarHBondContact O-N 3.29Å; A126-L138 HydrophobicContact CB-CD2 4.48Å
127	G	98.7	Very high	98.4	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-41.2	177.9	0	0	0	0	0	112.9	L123 L124 H130 F131	L123-G127 PolarHBondContact O-N 3.06Å; L124-G127 CarbonylContact O-C 3.57Å; L124-G127 PolarHBondContact O-N 3.3Å; L124-G127 VanDerWaalsContact O-N 3.14Å; G127-H130 PolarHBondContact O-N 3.33Å; G127-F131 WeakPolarHBondContact O-CB 3.08Å; G127-F131 PolarHBondContact O-N 3Å
128	E	98.8	Very high	98.4	Very high	67 Å²	67	46 Å²	46	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-41	176.6	-73.5	166.5	174	0	0	111.7	L124 H130 F131 A132 R164 I168	L124-E128 WeakPolarHBondContact O-CB 3.16Å; L124-E128 VanDerWaalsContact O-CG 3.26Å; L124-E128 WeakPolarHBondContact O-CG 3.39Å; L124-E128 PolarHBondContact O-N 3.17Å; E128-H130 VanDerWaalsContact C-N 3.35Å; E128-F131 PolarHBondContact O-N 3.39Å; E128-A132 PolarHBondContact O-N 3.3Å; E128-R164 IonicContact OE1-CZ 2.86Å; E128-R164 IonicContact OE1-NE 3.74Å; E128-R164 PolarHBondContact OE1-NE 3.04Å; E128-R164 IonicContact OE1-NH2 3.9Å; E128-R164 PolarHBondContact OE1-NH2 3.39Å; E128-R164 VanDerWaalsContact OE1-NH2 3.13Å; E128-R164 IonicContact OE2-CZ 3.39Å; E128-R164 IonicContact OE2-NE 3.39Å; E128-R164 IonicContact OE2-NH2 3.47Å; E128-R164 PolarHBondContact OE2-NH2 3.19Å; E128-I168 HydrophobicContact CG-CD1 4.19Å; E128-I168 HydrophobicContact CG-CG2 4.43Å
129	K	98.7	Very high	98.4	Very high	157 Å²	157	43.5 Å²	43.5	68%	0.683	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-42.5	172.4	-70.1	172.5	-170.3	172.8	0	111.5	D125 A126 F131 A132 A133	D125-K129 WeakPolarHBondContact O-CG 3.43Å; D125-K129 PolarHBondContact O-N 2.88Å; A126-K129 PolarHBondContact O-N 3.49Å; K129-F131 VanDerWaalsContact C-N 3.35Å; K129-A132 PolarHBondContact O-N 2.92Å; K129-A133 PolarHBondContact O-N 2.87Å
130	H	98.6	Very high	98.4	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.181	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-40.8	176.4	-168.9	74.5	0	0	0	111.7	A126 G127 E128 A133 T134 K136 L138	A126-H130 WeakPolarHBondContact O-CB 3.05Å; A126-H130 PolarHBondContact O-N 3.29Å; G127-H130 PolarHBondContact O-N 3.33Å; E128-H130 VanDerWaalsContact C-N 3.35Å; H130-A133 PolarHBondContact O-N 3.37Å; H130-T134 WeakPolarHBondContact O-CB 3.41Å; H130-T134 WeakPolarHBondContact O-CG2 3.34Å; H130-T134 PolarHBondContact O-N 2.94Å; H130-T134 PolarHBondContact O-OG1 3.03Å; H130-K136 CarbonylContact C-O 3.6Å; H130-K136 PolarHBondContact CD2-O 3Å; H130-L138 HydrophobicContact CB-CB 4.05Å
131	F	98.5	Very high	98.4	Very high	70 Å²	70	43.9 Å²	43.9	31%	0.307	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.6	-174.1	-92.6	0	0	0	112	G127 E128 K129 A133 T134 G135 K136 I168	G127-F131 WeakPolarHBondContact O-CB 3.08Å; G127-F131 PolarHBondContact O-N 3Å; E128-F131 PolarHBondContact O-N 3.39Å; K129-F131 VanDerWaalsContact C-N 3.35Å; F131-A133 PolarHBondContact O-N 3.47Å; F131-T134 PolarHBondContact O-N 3.02Å; F131-G135 VanDerWaalsContact CE2-O 3.28Å; F131-G135 WeakPolarHBondContact CE2-O 3.41Å; F131-G135 VanDerWaalsContact O-CA 3.3Å; F131-G135 WeakPolarHBondContact O-CA 3.26Å; F131-G135 PolarHBondContact O-N 3.06Å; F131-K136 WeakPolarHBondContact CA-O 3.34Å; F131-K136 PolarHBondContact N-O 3.08Å; F131-I168 HydrophobicContact CB-CB 4.27Å; F131-I168 HydrophobicContact CB-CG2 3.99Å; F131-I168 HydrophobicContact CD1-CB 4.3Å; F131-I168 HydrophobicContact CD1-CG2 3.68Å; F131-I168 HydrophobicContact CD2-CB 3.74Å; F131-I168 HydrophobicContact CD2-CG2 4.05Å; F131-I168 HydrophobicContact CE1-CG2 4.15Å; F131-I168 HydrophobicContact CE2-CB 4.14Å; F131-I168 HydrophobicContact CE2-CG2 4.5Å; F131-I168 HydrophobicContact CG-CB 3.84Å; F131-I168 HydrophobicContact CG-CG2 3.63Å
132	A	98.6	Very high	98.4	Very high	89 Å²	89	41.4 Å²	41.4	74%	0.736	25%	0.248	S	C	*	.	H	α-helix	trans	-60.5	-31.9	175.6	0	0	0	0	0	112.9	E128 K129	E128-A132 PolarHBondContact O-N 3.3Å; K129-A132 PolarHBondContact O-N 2.92Å
133	A	98.1	Very high	98.4	Very high	85 Å²	85	41 Å²	41	70%	0.702	24%	0.243	S	C	*	.	H	α-helix	trans	-86	-30.9	-179.5	0	0	0	0	0	114.1	K129 H130 F131	K129-A133 PolarHBondContact O-N 2.87Å; H130-A133 PolarHBondContact O-N 3.37Å; F131-A133 PolarHBondContact O-N 3.47Å
134	T	96.9	Very high	98.4	Very high	75 Å²	75	41 Å²	41	46%	0.46	24%	0.243	S	C	.	.	H	α-helix	trans	-123.7	-14.7	-167.4	68.8	0	0	0	0	114.6	H130 F131 K136	H130-T134 WeakPolarHBondContact O-CB 3.41Å; H130-T134 WeakPolarHBondContact O-CG2 3.34Å; H130-T134 PolarHBondContact O-N 2.94Å; H130-T134 PolarHBondContact O-OG1 3.03Å; F131-T134 PolarHBondContact O-N 3.02Å; T134-K136 PolarHBondContact O-N 2.99Å; T134-K136 PolarHBondContact OG1-N 2.8Å; T134-K136 VanDerWaalsContact OG1-N 3.16Å; T134-K136 PolarHBondContact OG1-O 3.13Å; T134-K136 VanDerWaalsContact OG1-O 3.09Å
135	G	97	Very high	98.4	Very high	51 Å²	51	42.2 Å²	42.2	53%	0.526	25%	0.249	S	C	.	.	S	Bend	trans	74.5	7.7	-170.2	0	0	0	0	0	114.6	F131	F131-G135 VanDerWaalsContact CE2-O 3.28Å; F131-G135 WeakPolarHBondContact CE2-O 3.41Å; F131-G135 VanDerWaalsContact O-CA 3.3Å; F131-G135 WeakPolarHBondContact O-CA 3.26Å; F131-G135 PolarHBondContact O-N 3.06Å
136	K	96.8	Very high	98.4	Very high	109 Å²	109	38.7 Å²	38.7	47%	0.474	23%	0.23	S	C	.	.	S	Bend	trans	-132.3	146.3	177.6	-66.1	-175.9	179.5	-176	0	111.3	H130 F131 T134	H130-K136 CarbonylContact C-O 3.6Å; H130-K136 PolarHBondContact CD2-O 3Å; F131-K136 WeakPolarHBondContact CA-O 3.34Å; F131-K136 PolarHBondContact N-O 3.08Å; T134-K136 PolarHBondContact O-N 2.99Å; T134-K136 PolarHBondContact OG1-N 2.8Å; T134-K136 VanDerWaalsContact OG1-N 3.16Å; T134-K136 PolarHBondContact OG1-O 3.13Å; T134-K136 VanDerWaalsContact OG1-O 3.09Å
137	P	98.2	Very high	98.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.013	23%	0.229	C	C	.	.			trans	-71.7	156.3	175.4	31.3	-35.5	0	0	0	110.8	T14 F139 I168 M170	T14-P137 HydrophobicContact CG2-CG 3.63Å; P137-F139 WeakPolarHBondContact CB-O 3.41Å; P137-F139 WeakPolarHBondContact CG-O 3.43Å; P137-I168 HydrophobicContact CB-CD1 4.17Å; P137-I168 HydrophobicContact CB-CG1 4.41Å; P137-I168 WeakPolarHBondContact CD-O 3.1Å; P137-I168 WeakPolarHBondContact CG-O 3.48Å; P137-M170 HydrophobicContact CB-CG 3.43Å; P137-M170 VanDerWaalsContact CB-CG 3.43Å; P137-M170 HydrophobicContact CB-SD 3.73Å; P137-M170 HydrophobicContact CG-CG 3.62Å
138	L	98.7	Very high	98.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	-68.1	-38	178.5	-177.8	61.6	0	0	0	111.9	I88 A91 H95 A126 H130	I88-L138 HydrophobicContact CB-CD2 4.43Å; I88-L138 HydrophobicContact CG1-CD2 4.06Å; I88-L138 HydrophobicContact CG2-CD2 4.26Å; A91-L138 HydrophobicContact CB-CD1 3.85Å; A91-L138 HydrophobicContact CB-CD2 4.18Å; A91-L138 HydrophobicContact CB-CG 3.83Å; H95-L138 PolarHBondContact NE2-O 2.85Å; A126-L138 HydrophobicContact CB-CD2 4.48Å; H130-L138 HydrophobicContact CB-CB 4.05Å
139	F	98.9	Very high	98.2	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	26%	0.261	C	S	.	.			trans	-109.8	151.1	175.4	-76	-94.3	0	0	0	110.2	F61 A87 A91 L107 T109 L123 P137 H142 M170	F61-F139 AromaticContact CD2-CE1 3.8Å; F61-F139 HydrophobicContact CD2-CE1 3.8Å; F61-F139 HydrophobicContact CD2-CZ 4.08Å; F61-F139 HydrophobicContact CE2-CE1 4.06Å; F61-F139 HydrophobicContact CE2-CZ 4.28Å; A87-F139 HydrophobicContact CB-CZ 3.95Å; A87-F139 WeakPolarHBondContact O-CZ 3.22Å; A91-F139 HydrophobicContact CB-CE1 4.36Å; A91-F139 HydrophobicContact CB-CE2 3.89Å; A91-F139 HydrophobicContact CB-CZ 3.74Å; L107-F139 HydrophobicContact CD1-CE1 4.29Å; L107-F139 HydrophobicContact CD2-CD1 4.1Å; L107-F139 HydrophobicContact CD2-CE1 4.16Å; L107-F139 HydrophobicContact CG-CD1 3.67Å; L107-F139 HydrophobicContact CG-CE1 3.86Å; L107-F139 HydrophobicContact CG-CG 4.47Å; T109-F139 HydrophobicContact CG2-CD1 3.79Å; T109-F139 HydrophobicContact CG2-CE1 3.56Å; T109-F139 HydrophobicContact CG2-CZ 4.09Å; L123-F139 HydrophobicContact CD1-CE2 4.38Å; L123-F139 HydrophobicContact CD2-CE2 4.2Å; P137-F139 WeakPolarHBondContact CB-O 3.41Å; P137-F139 WeakPolarHBondContact CG-O 3.43Å; F139-H142 AromaticContact CD2-CE1 3.72Å; F139-H142 AromaticContact CG-CE1 3.53Å; F139-M170 HydrophobicContact CB-CE 3.66Å; F139-M170 WeakPolarHBondContact O-CE 3.49Å
140	S	98.8	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-76.5	-38.9	172.9	-50.2	0	0	0	0	111.3	V12 I13 L107 T171	V12-S140 WeakPolarHBondContact CG1-OG 3.23Å; I13-S140 WeakPolarHBondContact O-CB 3.32Å; I13-S140 PolarHBondContact O-OG 3.4Å; L107-S140 PolarHBondContact N-OG 2.97Å; L107-S140 WeakPolarHBondContact O-CA 3.45Å; L107-S140 VanDerWaalsContact O-CB 3.31Å; L107-S140 WeakPolarHBondContact O-CB 3.29Å; L107-S140 PolarHBondContact O-N 2.86Å; S140-T171 PolarHBondContact O-N 3.29Å; S140-T171 VanDerWaalsContact O-N 3.08Å
141	S	98.9	Very high	98.2	Very high	8 Å²	8	44 Å²	44	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.8	-178	53.1	0	0	0	0	113.2	L107 H108 T109 T171	L107-S141 PolarHBondContact O-N 3.02Å; H108-S141 WeakPolarHBondContact CA-O 3.34Å; H108-S141 PolarHBondContact ND1-O 2.69Å; H108-S141 PolarHBondContact ND1-OG 3.13Å; T109-S141 PolarHBondContact N-O 2.86Å; S141-T171 WeakPolarHBondContact CA-O 3.1Å; S141-T171 WeakPolarHBondContact CB-O 3.49Å
142	H	98.9	Very high	98.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.3	168.9	-68.7	-48.1	0	0	0	109.7	T109 I120 F139 M165 M170 T171 E173	T109-H142 WeakPolarHBondContact CG2-ND1 3.29Å; T109-H142 WeakPolarHBondContact OG1-CA 3.5Å; T109-H142 PolarHBondContact OG1-ND1 3.39Å; I120-H142 HydrophobicContact CD1-CB 3.99Å; F139-H142 AromaticContact CD2-CE1 3.72Å; F139-H142 AromaticContact CG-CE1 3.53Å; H142-M165 HydrophobicContact CB-CE 3.83Å; H142-M170 WeakPolarHBondContact CD2-CE 3.32Å; H142-M170 WeakPolarHBondContact NE2-CE 3.32Å; H142-T171 PolarHBondContact N-O 2.72Å; H142-E173 PolarHBondContact O-N 2.85Å
143	M	98.9	Very high	98.1	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.1	169.4	-173.2	-174.4	-175	0	0	110.4	H108 T109 H111 C112 D145 E173 E175	H108-M143 PolarHBondContact CE1-N 3.22Å; T109-M143 VanDerWaalsContact O-CB 3.22Å; T109-M143 WeakPolarHBondContact O-CB 3.27Å; T109-M143 PolarHBondContact O-N 3.17Å; H111-M143 HydrophobicContact CB-SD 4.33Å; H111-M143 PolarHBondContact N-SD 2.76Å; C112-M143 VanDerWaalsContact CB-O 3.31Å; C112-M143 WeakPolarHBondContact CB-O 3.18Å; M143-D145 HydrophobicContact CE-CB 4.23Å; M143-E173 WeakPolarHBondContact CA-O 3.5Å; M143-E173 HydrophobicContact CB-CB 4.17Å; M143-E173 HydrophobicContact CB-CG 4.46Å; M143-E173 HydrophobicContact CG-CB 4.24Å; M143-E173 HydrophobicContact CG-CG 4.07Å; M143-E175 HydrophobicContact CE-CB 3.86Å; M143-E175 HydrophobicContact CE-CG 4.42Å; M143-E175 WeakPolarHBondContact CE-OE2 3.49Å
144	I	98.9	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.8	165.8	-70	177.1	0	0	0	107.7	L117 L146 C158 Y161 L172 E173 I174 E175	L117-I144 HydrophobicContact CD2-CD1 4.35Å; L117-I144 HydrophobicContact CD2-CG1 4.48Å; L117-I144 HydrophobicContact CD2-CG2 4.45Å; I144-L146 HydrophobicContact CG2-CD1 3.76Å; I144-L146 HydrophobicContact CG2-CD2 4.24Å; I144-L146 HydrophobicContact CG2-CG 3.56Å; I144-C158 VanDerWaalsContact CG2-SG 3.56Å; I144-Y161 HydrophobicContact CD1-CD1 3.91Å; I144-Y161 HydrophobicContact CD1-CD2 3.43Å; I144-Y161 VanDerWaalsContact CD1-CD2 3.43Å; I144-Y161 HydrophobicContact CD1-CE2 4.08Å; I144-Y161 HydrophobicContact CD1-CG 3.33Å; I144-L172 HydrophobicContact CB-CD1 4.21Å; I144-L172 HydrophobicContact CD1-CD1 3.9Å; I144-L172 HydrophobicContact CG1-CD1 3.91Å; I144-E173 PolarHBondContact N-O 3.4Å; I144-I174 WeakPolarHBondContact O-CA 3.36Å; I144-E175 PolarHBondContact O-N 2.72Å
145	D	98.6	Very high	98.2	Very high	25 Å²	25	43 Å²	43	13%	0.134	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	96	179.4	170.1	19.8	0	0	0	108.6	H111 C112 A113 M143 S147 E175	H111-D145 HydrophobicContact CB-CB 4.39Å; H111-D145 IonicContact CD2-OD2 3.13Å; H111-D145 PolarHBondContact CD2-OD2 3.48Å; C112-D145 PolarHBondContact O-N 3.26Å; C112-D145 VanDerWaalsContact O-N 3.13Å; A113-D145 VanDerWaalsContact CA-O 3.25Å; A113-D145 WeakPolarHBondContact CA-O 3.34Å; M143-D145 HydrophobicContact CE-CB 4.23Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 3.46Å; D145-S147 PolarHBondContact OD1-OG 3.12Å; D145-E175 HydrophobicContact CB-CB 4.15Å
146	L	98.4	Very high	98.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.225	C	C	.	.			trans	-112.1	32.9	173.6	-56.4	176.4	0	0	0	110	K114 I144 E148 E149 N154 I157	K114-L146 HydrophobicContact CB-CD2 3.7Å; K114-L146 HydrophobicContact CG-CD2 4.31Å; I144-L146 HydrophobicContact CG2-CD1 3.76Å; I144-L146 HydrophobicContact CG2-CD2 4.24Å; I144-L146 HydrophobicContact CG2-CG 3.56Å; L146-E148 PolarHBondContact O-N 3.38Å; L146-E149 HydrophobicContact CB-CB 4.29Å; L146-E149 HydrophobicContact CB-CG 4Å; L146-E149 HydrophobicContact CD2-CG 4.38Å; L146-E149 WeakPolarHBondContact O-CB 3.2Å; L146-E149 PolarHBondContact O-N 2.82Å; L146-N154 HydrophobicContact CB-CB 3.91Å; L146-N154 PolarHBondContact O-ND2 3.25Å; L146-I157 HydrophobicContact CD1-CB 3.68Å; L146-I157 HydrophobicContact CD1-CD1 3.95Å; L146-I157 HydrophobicContact CD1-CG1 4.4Å; L146-I157 HydrophobicContact CD1-CG2 3.67Å
147	S	98.1	Very high	98.4	Very high	21 Å²	21	41.4 Å²	41.4	15%	0.147	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.8	-176.9	62.3	0	0	0	0	113.7	D145 T179	D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 3.46Å; D145-S147 PolarHBondContact OD1-OG 3.12Å; S147-T179 VanDerWaalsContact O-CG2 3.32Å; S147-T179 WeakPolarHBondContact O-CG2 3.37Å
148	E	97.2	Very high	98.4	Very high	167 Å²	167	41.6 Å²	41.6	78%	0.78	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.9	172.6	-61.2	-174.6	161.7	0	0	113.5	L146	L146-E148 PolarHBondContact O-N 3.38Å
149	E	97.7	Very high	98.4	Very high	48 Å²	48	44.6 Å²	44.6	22%	0.224	23%	0.231	C	C	.	.	S	Bend	trans	-95.2	161.8	178.7	-49.8	-69.4	160.1	0	0	110.7	K114 L146 L151 T179	K114-E149 VanDerWaalsContact CD-CD 3.43Å; K114-E149 HydrophobicContact CD-CG 4.08Å; K114-E149 WeakPolarHBondContact CD-OE1 3.46Å; K114-E149 IonicContact NZ-OE1 3.48Å; K114-E149 IonicContact NZ-OE2 2.72Å; K114-E149 PolarHBondContact NZ-OE2 2.99Å; L146-E149 HydrophobicContact CB-CB 4.29Å; L146-E149 HydrophobicContact CB-CG 4Å; L146-E149 HydrophobicContact CD2-CG 4.38Å; L146-E149 WeakPolarHBondContact O-CB 3.2Å; L146-E149 PolarHBondContact O-N 2.82Å; E149-L151 PolarHBondContact O-N 3.47Å; E149-T179 VanDerWaalsContact O-CG2 3.24Å; E149-T179 WeakPolarHBondContact O-CG2 3.33Å
150	S	97.7	Very high	98.4	Very high	56 Å²	56	50.2 Å²	50.2	39%	0.392	26%	0.256	S	S	.	.			trans	-56.2	143.4	175.9	74	0	0	0	0	111.5	Q152 E153 N154	S150-Q152 PolarHBondContact O-N 3.39Å; S150-Q152 VanDerWaalsContact O-N 3.09Å; S150-E153 PolarHBondContact O-N 2.97Å; S150-E153 WeakPolarHBondContact OG-CB 3.41Å; S150-E153 PolarHBondContact OG-N 3.39Å; S150-N154 WeakPolarHBondContact O-CB 3.31Å; S150-N154 PolarHBondContact O-N 3.25Å
151	L	98	Very high	98.4	Very high	105 Å²	105	51.6 Å²	51.6	55%	0.55	26%	0.261	S	S	.	.	H	α-helix	trans	-51.3	-39.4	179	178.5	62.5	0	0	0	112.3	E149 I155 L176	E149-L151 PolarHBondContact O-N 3.47Å; L151-I155 HydrophobicContact CD1-CD1 4.46Å; L151-I155 HydrophobicContact CD1-CG1 3.96Å; L151-I155 HydrophobicContact CG-CG1 4.47Å; L151-I155 WeakPolarHBondContact O-CB 3.06Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.08Å; L151-L176 HydrophobicContact CD1-CD1 4.23Å; L151-L176 HydrophobicContact CD1-CD2 3.77Å
152	Q	98.1	Very high	98.4	Very high	155 Å²	155	55.1 Å²	55.1	72%	0.724	28%	0.279	S	S	*	.	H	α-helix	trans	-64.2	-47	178.6	-177.1	170.8	0.4	0	0	112	S150 E156	S150-Q152 PolarHBondContact O-N 3.39Å; S150-Q152 VanDerWaalsContact O-N 3.09Å; Q152-E156 WeakPolarHBondContact O-CB 3.39Å; Q152-E156 PolarHBondContact O-N 3.27Å
153	E	98.2	Very high	98.4	Very high	69 Å²	69	60.6 Å²	60.6	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-67.6	-41.8	179.2	-178.8	168	-162.7	0	0	111.9	K114 S150 I155 E156 I157	K114-E153 WeakPolarHBondContact CE-OE1 3.49Å; K114-E153 VanDerWaalsContact NZ-CD 3.26Å; K114-E153 IonicContact NZ-OE1 3.78Å; K114-E153 PolarHBondContact NZ-OE1 3.11Å; K114-E153 IonicContact NZ-OE2 3.37Å; K114-E153 PolarHBondContact NZ-OE2 2.89Å; S150-E153 PolarHBondContact O-N 2.97Å; S150-E153 WeakPolarHBondContact OG-CB 3.41Å; S150-E153 PolarHBondContact OG-N 3.39Å; E153-I155 PolarHBondContact O-N 3.39Å; E153-E156 PolarHBondContact O-N 3.33Å; E153-I157 HydrophobicContact CG-CD1 3.76Å; E153-I157 HydrophobicContact CG-CG1 4.4Å; E153-I157 WeakPolarHBondContact O-CG1 3.43Å; E153-I157 PolarHBondContact O-N 2.96Å
154	N	98.5	Very high	98.4	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.011	31%	0.314	C	S	.	.	H	α-helix	trans	-54.5	-55.2	174.8	179.4	-28.7	0	0	0	110.6	L146 S150 E156 I157 C158 E175	L146-N154 HydrophobicContact CB-CB 3.91Å; L146-N154 PolarHBondContact O-ND2 3.25Å; S150-N154 WeakPolarHBondContact O-CB 3.31Å; S150-N154 PolarHBondContact O-N 3.25Å; N154-E156 VanDerWaalsContact C-N 3.33Å; N154-E156 PolarHBondContact O-N 2.78Å; N154-I157 PolarHBondContact O-N 3.33Å; N154-C158 VanDerWaalsContact O-CB 3.27Å; N154-C158 WeakPolarHBondContact O-CB 3.24Å; N154-C158 PolarHBondContact O-N 2.65Å; N154-C158 PolarHBondContact O-SG 3.42Å; N154-C158 PolarHBondContact OD1-SG 2.96Å; N154-C158 VanDerWaalsContact OD1-SG 3.32Å; N154-E175 PolarHBondContact ND2-O 3.27Å
155	I	98.5	Very high	98.4	Very high	71 Å²	71	63.1 Å²	63.1	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-37.9	-179.5	-64.2	-61.4	0	0	0	111.6	L151 E153 S159 I174 L176	L151-I155 HydrophobicContact CD1-CD1 4.46Å; L151-I155 HydrophobicContact CD1-CG1 3.96Å; L151-I155 HydrophobicContact CG-CG1 4.47Å; L151-I155 WeakPolarHBondContact O-CB 3.06Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.08Å; E153-I155 PolarHBondContact O-N 3.39Å; I155-S159 VanDerWaalsContact O-CB 3.25Å; I155-S159 WeakPolarHBondContact O-CB 3.35Å; I155-S159 PolarHBondContact O-N 3.39Å; I155-S159 PolarHBondContact O-OG 3.13Å; I155-I174 HydrophobicContact CD1-CD1 4.02Å; I155-L176 HydrophobicContact CD1-CD2 4.09Å
156	E	98.6	Very high	98.3	Very high	101 Å²	101	65.2 Å²	65.2	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-48	177.9	-171.8	-174.2	156	0	0	111.8	Q152 E153 N154 K160	Q152-E156 WeakPolarHBondContact O-CB 3.39Å; Q152-E156 PolarHBondContact O-N 3.27Å; E153-E156 PolarHBondContact O-N 3.33Å; N154-E156 VanDerWaalsContact C-N 3.33Å; N154-E156 PolarHBondContact O-N 2.78Å; E156-K160 WeakPolarHBondContact O-CG 3.25Å; E156-K160 PolarHBondContact O-N 3.06Å; E156-K160 IonicContact OE1-NZ 2.72Å; E156-K160 PolarHBondContact OE1-NZ 2.61Å
157	I	98.7	Very high	98.3	Very high	27 Å²	27	71.7 Å²	71.7	14%	0.138	36%	0.358	C	S	.	.	H	α-helix	trans	-67.8	-48.7	-179.9	-65.7	170.7	0	0	0	110.1	L117 L146 E153 N154 S159 K160 Y161	L117-I157 HydrophobicContact CD1-CG2 4.31Å; L146-I157 HydrophobicContact CD1-CB 3.68Å; L146-I157 HydrophobicContact CD1-CD1 3.95Å; L146-I157 HydrophobicContact CD1-CG1 4.4Å; L146-I157 HydrophobicContact CD1-CG2 3.67Å; E153-I157 HydrophobicContact CG-CD1 3.76Å; E153-I157 HydrophobicContact CG-CG1 4.4Å; E153-I157 WeakPolarHBondContact O-CG1 3.43Å; E153-I157 PolarHBondContact O-N 2.96Å; N154-I157 PolarHBondContact O-N 3.33Å; I157-S159 VanDerWaalsContact C-N 3.25Å; I157-S159 PolarHBondContact O-N 3.49Å; I157-K160 WeakPolarHBondContact O-CB 3.23Å; I157-K160 PolarHBondContact O-N 2.95Å; I157-K160 VanDerWaalsContact O-N 3.1Å; I157-Y161 HydrophobicContact CG2-CD2 3.83Å; I157-Y161 HydrophobicContact CG2-CE2 3.79Å; I157-Y161 WeakPolarHBondContact O-CD2 3.16Å; I157-Y161 PolarHBondContact O-N 3.5Å; I157-Y161 VanDerWaalsContact O-N 3.15Å
158	C	98.8	Very high	98.3	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.034	35%	0.354	C	S	.	.	H	α-helix	trans	-57.4	-38.7	178.7	-73.2	0	0	0	0	112.1	I144 N154 K160 Y161 L162 L172 I174	I144-C158 VanDerWaalsContact CG2-SG 3.56Å; N154-C158 VanDerWaalsContact O-CB 3.27Å; N154-C158 WeakPolarHBondContact O-CB 3.24Å; N154-C158 PolarHBondContact O-N 2.65Å; N154-C158 PolarHBondContact O-SG 3.42Å; N154-C158 PolarHBondContact OD1-SG 2.96Å; N154-C158 VanDerWaalsContact OD1-SG 3.32Å; C158-K160 PolarHBondContact O-N 3.46Å; C158-Y161 PolarHBondContact O-N 2.84Å; C158-L162 WeakPolarHBondContact O-CB 3.38Å; C158-L162 PolarHBondContact O-N 3.31Å; C158-L172 HydrophobicContact CB-CD2 4.09Å; C158-L172 VanDerWaalsContact O-CD2 3.24Å; C158-L172 WeakPolarHBondContact O-CD2 3.33Å; C158-I174 HydrophobicContact CB-CG2 3.82Å
159	S	98.7	Very high	98.4	Very high	65 Å²	65	64.8 Å²	64.8	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-39	177.5	-61.7	0	0	0	0	112.6	I155 I157 L162 E163	I155-S159 VanDerWaalsContact O-CB 3.25Å; I155-S159 WeakPolarHBondContact O-CB 3.35Å; I155-S159 PolarHBondContact O-N 3.39Å; I155-S159 PolarHBondContact O-OG 3.13Å; I157-S159 VanDerWaalsContact C-N 3.25Å; I157-S159 PolarHBondContact O-N 3.49Å; S159-L162 PolarHBondContact O-N 3.27Å; S159-E163 PolarHBondContact O-N 3.1Å
160	K	98.8	Very high	98.4	Very high	119 Å²	119	63 Å²	63	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175.9	-68	170.4	-173	165.8	0	111.4	E156 I157 C158 E163 R164	E156-K160 WeakPolarHBondContact O-CG 3.25Å; E156-K160 PolarHBondContact O-N 3.06Å; E156-K160 IonicContact OE1-NZ 2.72Å; E156-K160 PolarHBondContact OE1-NZ 2.61Å; I157-K160 WeakPolarHBondContact O-CB 3.23Å; I157-K160 PolarHBondContact O-N 2.95Å; I157-K160 VanDerWaalsContact O-N 3.1Å; C158-K160 PolarHBondContact O-N 3.46Å; K160-E163 PolarHBondContact O-N 3.15Å; K160-R164 PolarHBondContact O-N 2.97Å
161	Y	98.8	Very high	98.4	Very high	29 Å²	29	61.7 Å²	61.7	11%	0.114	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-42.5	174.9	-83.8	-80.5	0	0	0	112.1	L117 I120 D121 L124 I144 I157 C158 E163 R164 M165	L117-Y161 HydrophobicContact CD1-CE2 4.36Å; L117-Y161 HydrophobicContact CD2-CE2 3.79Å; I120-Y161 HydrophobicContact CG2-CD1 4.07Å; I120-Y161 HydrophobicContact CG2-CE1 3.91Å; D121-Y161 VanDerWaalsContact OD1-CE1 3.23Å; D121-Y161 WeakPolarHBondContact OD1-CE1 3.4Å; D121-Y161 PolarHBondContact OD1-OH 3.32Å; D121-Y161 PolarHBondContact OD2-OH 2.79Å; L124-Y161 HydrophobicContact CD1-CD1 3.76Å; L124-Y161 HydrophobicContact CD1-CE1 4.03Å; I144-Y161 HydrophobicContact CD1-CD1 3.91Å; I144-Y161 HydrophobicContact CD1-CD2 3.43Å; I144-Y161 VanDerWaalsContact CD1-CD2 3.43Å; I144-Y161 HydrophobicContact CD1-CE2 4.08Å; I144-Y161 HydrophobicContact CD1-CG 3.33Å; I157-Y161 HydrophobicContact CG2-CD2 3.83Å; I157-Y161 HydrophobicContact CG2-CE2 3.79Å; I157-Y161 WeakPolarHBondContact O-CD2 3.16Å; I157-Y161 PolarHBondContact O-N 3.5Å; I157-Y161 VanDerWaalsContact O-N 3.15Å; C158-Y161 PolarHBondContact O-N 2.84Å; Y161-E163 VanDerWaalsContact C-N 3.3Å; Y161-E163 PolarHBondContact O-N 2.82Å; Y161-R164 PolarHBondContact O-N 3.35Å; Y161-R164 VanDerWaalsContact O-N 3.12Å; Y161-M165 WeakPolarHBondContact O-CB 3.27Å; Y161-M165 VanDerWaalsContact O-CG 3.27Å; Y161-M165 WeakPolarHBondContact O-CG 3.26Å; Y161-M165 PolarHBondContact O-N 3.34Å
162	L	98.7	Very high	98.5	Very high	83 Å²	83	58 Å²	58	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-39.2	175.9	-178.6	60	0	0	0	111.8	C158 S159 R164 M165 S166 L172	C158-L162 WeakPolarHBondContact O-CB 3.38Å; C158-L162 PolarHBondContact O-N 3.31Å; S159-L162 PolarHBondContact O-N 3.27Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.94Å; L162-M165 PolarHBondContact O-N 3.01Å; L162-S166 WeakPolarHBondContact O-CB 3.25Å; L162-S166 PolarHBondContact O-N 3.48Å; L162-S166 PolarHBondContact O-OG 2.91Å; L162-L172 HydrophobicContact CB-CD2 3.91Å; L162-L172 HydrophobicContact CD1-CB 3.97Å
163	E	98.7	Very high	98.5	Very high	116 Å²	116	55.1 Å²	55.1	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-42.6	174.4	-168.3	-164.9	147.7	0	0	111.7	S159 K160 Y161 S166 K167	S159-E163 PolarHBondContact O-N 3.1Å; K160-E163 PolarHBondContact O-N 3.15Å; Y161-E163 VanDerWaalsContact C-N 3.3Å; Y161-E163 PolarHBondContact O-N 2.82Å; E163-S166 PolarHBondContact O-OG 3.27Å; E163-K167 WeakPolarHBondContact O-CG 3.48Å; E163-K167 IonicContact OE1-NZ 3.86Å; E163-K167 PolarHBondContact OE1-NZ 2.89Å
164	R	98.6	Very high	98.5	Very high	60 Å²	60	55.2 Å²	55.2	23%	0.226	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-47.5	175.9	-175.2	173.7	177.3	-166.2	3.4	111.7	L124 D125 E128 K160 Y161 L162 K167	L124-R164 VanDerWaalsContact CB-CZ 3.49Å; L124-R164 HydrophobicContact CD1-CG 4.38Å; D125-R164 IonicContact OD1-CZ 2.83Å; D125-R164 IonicContact OD1-NH1 2.63Å; D125-R164 IonicContact OD1-NH2 3.82Å; D125-R164 PolarHBondContact OD1-NH2 3.5Å; E128-R164 IonicContact OE1-CZ 2.86Å; E128-R164 IonicContact OE1-NE 3.74Å; E128-R164 PolarHBondContact OE1-NE 3.04Å; E128-R164 IonicContact OE1-NH2 3.9Å; E128-R164 PolarHBondContact OE1-NH2 3.39Å; E128-R164 VanDerWaalsContact OE1-NH2 3.13Å; E128-R164 IonicContact OE2-CZ 3.39Å; E128-R164 IonicContact OE2-NE 3.39Å; E128-R164 IonicContact OE2-NH2 3.47Å; E128-R164 PolarHBondContact OE2-NH2 3.19Å; K160-R164 PolarHBondContact O-N 2.97Å; Y161-R164 PolarHBondContact O-N 3.35Å; Y161-R164 VanDerWaalsContact O-N 3.12Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.94Å; R164-K167 WeakPolarHBondContact O-CB 3.48Å; R164-K167 PolarHBondContact O-N 2.68Å
165	M	98.7	Very high	98.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-38.1	-177.3	-74.4	171.8	71.5	0	0	113.2	L124 H142 Y161 L162 K167 I168 G169 M170 T171 L172	L124-M165 HydrophobicContact CD1-CG 4.29Å; L124-M165 HydrophobicContact CD2-CG 3.67Å; H142-M165 HydrophobicContact CB-CE 3.83Å; Y161-M165 WeakPolarHBondContact O-CB 3.27Å; Y161-M165 VanDerWaalsContact O-CG 3.27Å; Y161-M165 WeakPolarHBondContact O-CG 3.26Å; Y161-M165 PolarHBondContact O-N 3.34Å; L162-M165 PolarHBondContact O-N 3.01Å; M165-K167 PolarHBondContact O-N 3.25Å; M165-I168 WeakPolarHBondContact O-CG1 3.48Å; M165-I168 PolarHBondContact O-N 2.94Å; M165-I168 VanDerWaalsContact O-N 3.16Å; M165-G169 PolarHBondContact O-N 2.83Å; M165-M170 HydrophobicContact CB-CB 3.94Å; M165-M170 HydrophobicContact CE-CB 4.02Å; M165-M170 HydrophobicContact CE-CE 4.2Å; M165-M170 HydrophobicContact CG-CB 4.4Å; M165-M170 PolarHBondContact O-N 2.63Å; M165-T171 WeakPolarHBondContact CE-O 3.24Å; M165-L172 HydrophobicContact CE-CB 3.97Å; M165-L172 HydrophobicContact CE-CD1 4.11Å; M165-L172 HydrophobicContact SD-CB 4.11Å; M165-L172 HydrophobicContact SD-CD1 3.8Å; M165-L172 HydrophobicContact SD-CG 4.43Å
166	S	97.9	Very high	98.5	Very high	68 Å²	68	59.5 Å²	59.5	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-29.7	179.5	61.4	0	0	0	0	113	L162 E163 I168 G169	L162-S166 WeakPolarHBondContact O-CB 3.25Å; L162-S166 PolarHBondContact O-N 3.48Å; L162-S166 PolarHBondContact O-OG 2.91Å; E163-S166 PolarHBondContact O-OG 3.27Å; S166-I168 PolarHBondContact O-N 3.47Å; S166-G169 PolarHBondContact O-N 3.09Å
167	K	98.3	Very high	98.3	Very high	139 Å²	139	56.9 Å²	56.9	60%	0.604	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.9	177.1	-67.5	168.5	-173.4	170	0	113.3	E163 R164 M165	E163-K167 WeakPolarHBondContact O-CG 3.48Å; E163-K167 IonicContact OE1-NZ 3.86Å; E163-K167 PolarHBondContact OE1-NZ 2.89Å; R164-K167 WeakPolarHBondContact O-CB 3.48Å; R164-K167 PolarHBondContact O-N 2.68Å; M165-K167 PolarHBondContact O-N 3.25Å
168	I	98.2	Very high	97.9	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.062	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	16.6	179.4	60.3	172.1	0	0	0	112.5	E128 F131 P137 M165 S166 M170	E128-I168 HydrophobicContact CG-CD1 4.19Å; E128-I168 HydrophobicContact CG-CG2 4.43Å; F131-I168 HydrophobicContact CB-CB 4.27Å; F131-I168 HydrophobicContact CB-CG2 3.99Å; F131-I168 HydrophobicContact CD1-CB 4.3Å; F131-I168 HydrophobicContact CD1-CG2 3.68Å; F131-I168 HydrophobicContact CD2-CB 3.74Å; F131-I168 HydrophobicContact CD2-CG2 4.05Å; F131-I168 HydrophobicContact CE1-CG2 4.15Å; F131-I168 HydrophobicContact CE2-CB 4.14Å; F131-I168 HydrophobicContact CE2-CG2 4.5Å; F131-I168 HydrophobicContact CG-CB 3.84Å; F131-I168 HydrophobicContact CG-CG2 3.63Å; P137-I168 HydrophobicContact CB-CD1 4.17Å; P137-I168 HydrophobicContact CB-CG1 4.41Å; P137-I168 WeakPolarHBondContact CD-O 3.1Å; P137-I168 WeakPolarHBondContact CG-O 3.48Å; M165-I168 WeakPolarHBondContact O-CG1 3.48Å; M165-I168 PolarHBondContact O-N 2.94Å; M165-I168 VanDerWaalsContact O-N 3.16Å; S166-I168 PolarHBondContact O-N 3.47Å; I168-M170 HydrophobicContact CD1-CG 4.15Å; I168-M170 HydrophobicContact CD1-SD 3.55Å; I168-M170 VanDerWaalsContact CD1-SD 3.55Å; I168-M170 HydrophobicContact CG1-CG 3.99Å; I168-M170 HydrophobicContact CG1-SD 4.04Å; I168-M170 PolarHBondContact O-N 3Å
169	G	97.3	Very high	96.7	Very high	31 Å²	31	68.5 Å²	68.5	32%	0.32	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	30.2	174.2	0	0	0	0	0	114.8	G15 M165 S166	G15-G169 WeakPolarHBondContact CA-O 3.34Å; G15-G169 PolarHBondContact N-O 3.45Å; M165-G169 PolarHBondContact O-N 2.83Å; S166-G169 PolarHBondContact O-N 3.09Å
170	M	98.6	Very high	96.6	Very high	11 Å²	11	68.7 Å²	68.7	5%	0.054	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-92.8	152.7	175.6	-70.2	-177.4	70.7	0	0	112.4	L124 P137 F139 H142 M165 I168	L124-M170 HydrophobicContact CD2-SD 4.08Å; P137-M170 HydrophobicContact CB-CG 3.43Å; P137-M170 VanDerWaalsContact CB-CG 3.43Å; P137-M170 HydrophobicContact CB-SD 3.73Å; P137-M170 HydrophobicContact CG-CG 3.62Å; F139-M170 HydrophobicContact CB-CE 3.66Å; F139-M170 WeakPolarHBondContact O-CE 3.49Å; H142-M170 WeakPolarHBondContact CD2-CE 3.32Å; H142-M170 WeakPolarHBondContact NE2-CE 3.32Å; M165-M170 HydrophobicContact CB-CB 3.94Å; M165-M170 HydrophobicContact CE-CB 4.02Å; M165-M170 HydrophobicContact CE-CE 4.2Å; M165-M170 HydrophobicContact CG-CB 4.4Å; M165-M170 PolarHBondContact O-N 2.63Å; I168-M170 HydrophobicContact CD1-CG 4.15Å; I168-M170 HydrophobicContact CD1-SD 3.55Å; I168-M170 VanDerWaalsContact CD1-SD 3.55Å; I168-M170 HydrophobicContact CG1-CG 3.99Å; I168-M170 HydrophobicContact CG1-SD 4.04Å; I168-M170 PolarHBondContact O-N 3Å
171	T	98.5	Very high	96.5	Very high	28 Å²	28	66 Å²	66	17%	0.172	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.9	172.9	-60.4	0	0	0	0	110.4	Q19 S140 S141 H142 M165	Q19-T171 PolarHBondContact NE2-OG1 2.98Å; S140-T171 PolarHBondContact O-N 3.29Å; S140-T171 VanDerWaalsContact O-N 3.08Å; S141-T171 WeakPolarHBondContact CA-O 3.1Å; S141-T171 WeakPolarHBondContact CB-O 3.49Å; H142-T171 PolarHBondContact N-O 2.72Å; M165-T171 WeakPolarHBondContact CE-O 3.24Å
172	L	98.7	Very high	96.4	Very high	26 Å²	26	68.1 Å²	68.1	14%	0.136	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.3	172.5	179.8	65.6	0	0	0	109.9	I144 C158 L162 M165 I174	I144-L172 HydrophobicContact CB-CD1 4.21Å; I144-L172 HydrophobicContact CD1-CD1 3.9Å; I144-L172 HydrophobicContact CG1-CD1 3.91Å; C158-L172 HydrophobicContact CB-CD2 4.09Å; C158-L172 VanDerWaalsContact O-CD2 3.24Å; C158-L172 WeakPolarHBondContact O-CD2 3.33Å; L162-L172 HydrophobicContact CB-CD2 3.91Å; L162-L172 HydrophobicContact CD1-CB 3.97Å; M165-L172 HydrophobicContact CE-CB 3.97Å; M165-L172 HydrophobicContact CE-CD1 4.11Å; M165-L172 HydrophobicContact SD-CB 4.11Å; M165-L172 HydrophobicContact SD-CD1 3.8Å; M165-L172 HydrophobicContact SD-CG 4.43Å; L172-I174 HydrophobicContact CD2-CG2 3.73Å; L172-I174 HydrophobicContact CG-CG2 3.75Å
173	E	98.8	Very high	96.2	Very high	95 Å²	95	67.2 Å²	67.2	44%	0.444	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138	163	-176.3	170.8	137.7	0	0	108.9	H108 H142 M143 I144	H108-E173 IonicContact CE1-OE2 3.82Å; H108-E173 IonicContact NE2-OE2 3.33Å; H142-E173 PolarHBondContact O-N 2.85Å; M143-E173 WeakPolarHBondContact CA-O 3.5Å; M143-E173 HydrophobicContact CB-CB 4.17Å; M143-E173 HydrophobicContact CB-CG 4.46Å; M143-E173 HydrophobicContact CG-CB 4.24Å; M143-E173 HydrophobicContact CG-CG 4.07Å; I144-E173 PolarHBondContact N-O 3.4Å
174	I	98.6	Very high	96.1	Very high	71 Å²	71	64.1 Å²	64.1	36%	0.364	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.2	178.1	69.6	173.3	0	0	0	110	I144 I155 C158 L172 L176	I144-I174 WeakPolarHBondContact O-CA 3.36Å; I155-I174 HydrophobicContact CD1-CD1 4.02Å; C158-I174 HydrophobicContact CB-CG2 3.82Å; L172-I174 HydrophobicContact CD2-CG2 3.73Å; L172-I174 HydrophobicContact CG-CG2 3.75Å; I174-L176 HydrophobicContact CD1-CD2 4.3Å
175	E	98.7	Very high	95.9	Very high	64 Å²	64	64.4 Å²	64.4	30%	0.299	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.5	174.2	-167.9	171.2	178.1	0	0	111.4	H111 M143 I144 D145 N154	H111-E175 IonicContact CD2-OE2 3.68Å; H111-E175 PolarHBondContact CD2-OE2 2.97Å; H111-E175 IonicContact NE2-OE2 2.69Å; H111-E175 PolarHBondContact NE2-OE2 3.17Å; M143-E175 HydrophobicContact CE-CB 3.86Å; M143-E175 HydrophobicContact CE-CG 4.42Å; M143-E175 WeakPolarHBondContact CE-OE2 3.49Å; I144-E175 PolarHBondContact O-N 2.72Å; D145-E175 HydrophobicContact CB-CB 4.15Å; N154-E175 PolarHBondContact ND2-O 3.27Å
176	L	97.7	Very high	95.7	Very high	100 Å²	100	69 Å²	69	52%	0.524	41%	0.407	S	S	.	.			trans	-119	129.4	178.8	-55.5	-177.7	0	0	0	109.2	L151 I155 I174	L151-L176 HydrophobicContact CD1-CD1 4.23Å; L151-L176 HydrophobicContact CD1-CD2 3.77Å; I155-L176 HydrophobicContact CD1-CD2 4.09Å; I174-L176 HydrophobicContact CD1-CD2 4.3Å
177	G	94.2	Very high	95.6	Very high	46 Å²	46	69.1 Å²	69.1	47%	0.474	40%	0.402	S	S	.	.			trans	-112.7	-163.1	179.4	0	0	0	0	0	113.4
178	C	90.3	Very high	95.3	Very high	140 Å²	140	63.3 Å²	63.3	95%	0.946	39%	0.385	S	S	*	.			trans	-113.8	119.5	168.8	-62.7	0	0	0	0	108.9
179	T	74.4	Confident	95.1	Very high	135 Å²	135	67.9 Å²	67.9	83%	0.828	42%	0.415	S	S	*	.			trans	-126.8	0	-179.2	61.7	0	0	0	0	111.8	S147 E149	S147-T179 VanDerWaalsContact O-CG2 3.32Å; S147-T179 WeakPolarHBondContact O-CG2 3.37Å; E149-T179 VanDerWaalsContact O-CG2 3.24Å; E149-T179 WeakPolarHBondContact O-CG2 3.33Å

Retrieved 179 of 179 residues in 75.3 ms (Link to these results)

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