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Adenylate kinase 2

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP¹. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism (By similarity).

AlphaFold DB , UniProt , Accession A0A3Q0KGQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 239 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	58.4	Low	224 Å²	224	123.7 Å²	123.7	100%	1.103	56%	0.563	S	S	*	*				0	-33.2	0	-137.1	-178	-71.5	0	0	113.6
2	L	52.5	Low	57.9	Low	152 Å²	152	126 Å²	126	80%	0.796	56%	0.564	S	S	*	*	H	α-helix	trans	-74	-30.6	179.9	-77.3	162.4	0	0	0	115.5	D4	L2-D4 VanDerWaalsContact C-N 3.29Å; L2-D4 PolarHBondContact O-N 3.34Å
3	Y	51.4	Low	57.7	Low	222 Å²	222	125.1 Å²	125.1	87%	0.871	55%	0.554	S	S	*	*	H	α-helix	trans	-67.1	-25.6	-178.5	-93.9	-90.2	0	0	0	114.1	S7	Y3-S7 PolarHBondContact O-OG 2.9Å
4	D	69.2	Low	57.7	Low	109 Å²	109	121.2 Å²	121.2	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-88.4	-29.1	-178.3	-164.6	23.8	0	0	0	112.6	L2 S7 W8	L2-D4 VanDerWaalsContact C-N 3.29Å; L2-D4 PolarHBondContact O-N 3.34Å; D4-S7 WeakPolarHBondContact CA-OG 3.48Å; D4-S7 PolarHBondContact O-OG 3.49Å; D4-W8 WeakPolarHBondContact O-CB 3.24Å; D4-W8 PolarHBondContact O-N 2.97Å
5	F	70.8	Confident	57.3	Low	125 Å²	125	114.3 Å²	114.3	55%	0.548	51%	0.513	S	S	.	.	H	α-helix	trans	-66	-41.7	176	-174.8	-100.2	0	0	0	111.7	W8 Y9	F5-W8 HydrophobicContact CD2-CE3 4.05Å; F5-W8 HydrophobicContact CD2-CZ3 4.26Å; F5-W8 AromaticContact CE2-CE3 3.99Å; F5-W8 HydrophobicContact CE2-CE3 3.99Å; F5-W8 AromaticContact CE2-CZ3 3.75Å; F5-W8 HydrophobicContact CE2-CZ3 3.75Å; F5-W8 HydrophobicContact CZ-CZ3 4.47Å; F5-Y9 HydrophobicContact CE1-CD2 4.46Å; F5-Y9 HydrophobicContact CE1-CG 4.37Å; F5-Y9 HydrophobicContact CZ-CD2 4.27Å; F5-Y9 WeakPolarHBondContact O-CA 3.13Å; F5-Y9 WeakPolarHBondContact O-CB 3.1Å; F5-Y9 PolarHBondContact O-N 3.29Å
6	A	67.1	Low	57	Low	37 Å²	37	113.1 Å²	113.1	31%	0.306	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-39	-178.7	0	0	0	0	0	112.8	R10	A6-R10 WeakPolarHBondContact O-CB 3Å; A6-R10 VanDerWaalsContact O-CG 3.24Å; A6-R10 WeakPolarHBondContact O-CG 3.45Å; A6-R10 PolarHBondContact O-N 2.75Å; A6-R10 PolarHBondContact O-NE 2.92Å
7	S	58.4	Low	57.3	Low	37 Å²	37	111.2 Å²	111.2	26%	0.259	53%	0.528	S	S	.	.	H	α-helix	trans	-71.5	-43.4	175.4	51.6	0	0	0	0	111.8	Y3 D4 R11	Y3-S7 PolarHBondContact O-OG 2.9Å; D4-S7 WeakPolarHBondContact CA-OG 3.48Å; D4-S7 PolarHBondContact O-OG 3.49Å; S7-R11 WeakPolarHBondContact O-CB 3.32Å; S7-R11 PolarHBondContact O-N 3.41Å
8	W	61.7	Low	58.3	Low	122 Å²	122	109.7 Å²	109.7	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-44.1	171.9	176.6	84.7	0	0	0	112	D4 F5 R11 W12	D4-W8 WeakPolarHBondContact O-CB 3.24Å; D4-W8 PolarHBondContact O-N 2.97Å; F5-W8 HydrophobicContact CD2-CE3 4.05Å; F5-W8 HydrophobicContact CD2-CZ3 4.26Å; F5-W8 AromaticContact CE2-CE3 3.99Å; F5-W8 HydrophobicContact CE2-CE3 3.99Å; F5-W8 AromaticContact CE2-CZ3 3.75Å; F5-W8 HydrophobicContact CE2-CZ3 3.75Å; F5-W8 HydrophobicContact CZ-CZ3 4.47Å; W8-R11 CarbonylContact O-C 3.5Å; W8-R11 PolarHBondContact O-N 2.8Å; W8-W12 VanDerWaalsContact O-CB 3.23Å; W8-W12 WeakPolarHBondContact O-CB 3.37Å; W8-W12 PolarHBondContact O-N 3.46Å
9	Y	57.3	Low	59.9	Low	90 Å²	90	108.8 Å²	108.8	35%	0.353	51%	0.51	S	S	.	.	H	α-helix	trans	-69.1	-39.2	179.6	-176	-104.4	0	0	0	112.2	F5 W12 R13	F5-Y9 HydrophobicContact CE1-CD2 4.46Å; F5-Y9 HydrophobicContact CE1-CG 4.37Å; F5-Y9 HydrophobicContact CZ-CD2 4.27Å; F5-Y9 WeakPolarHBondContact O-CA 3.13Å; F5-Y9 WeakPolarHBondContact O-CB 3.1Å; F5-Y9 PolarHBondContact O-N 3.29Å; Y9-W12 HydrophobicContact CD2-CE3 4.13Å; Y9-W12 HydrophobicContact CE2-CE3 4.06Å; Y9-W12 HydrophobicContact CE2-CZ3 4.07Å; Y9-W12 PolarHBondContact O-N 3.4Å; Y9-R13 WeakPolarHBondContact O-CB 3.12Å; Y9-R13 PolarHBondContact O-N 3.36Å
10	R	53.2	Low	61.7	Low	116 Å²	116	103.7 Å²	103.7	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-46.2	171.1	-78.6	-173.4	-68	-101.4	0.3	111.4	A6 W12 R13 F14 E16	A6-R10 WeakPolarHBondContact O-CB 3Å; A6-R10 VanDerWaalsContact O-CG 3.24Å; A6-R10 WeakPolarHBondContact O-CG 3.45Å; A6-R10 PolarHBondContact O-N 2.75Å; A6-R10 PolarHBondContact O-NE 2.92Å; R10-W12 PolarHBondContact O-N 2.75Å; R10-R13 PolarHBondContact O-N 2.96Å; R10-F14 HydrophobicContact CB-CD2 4.1Å; R10-F14 HydrophobicContact CB-CE2 4.47Å; R10-F14 HydrophobicContact CG-CD2 4.29Å; R10-F14 HydrophobicContact CG-CE2 4.17Å; R10-F14 VanDerWaalsContact O-CB 3.25Å; R10-F14 WeakPolarHBondContact O-CB 3.25Å; R10-F14 VanDerWaalsContact O-CD2 3.26Å; R10-F14 WeakPolarHBondContact O-CD2 3.26Å; R10-F14 PolarHBondContact O-N 2.61Å; R10-E16 VanDerWaalsContact CB-OE2 3.28Å; R10-E16 WeakPolarHBondContact CB-OE2 3.23Å
11	R	51.9	Low	63.4	Low	127 Å²	127	98.8 Å²	98.8	48%	0.479	46%	0.464	S	S	.	.	H	α-helix	trans	-60.3	-40.8	173.6	168.9	163.1	53.8	151.8	3.1	113.6	S7 W8 G15 E16	S7-R11 WeakPolarHBondContact O-CB 3.32Å; S7-R11 PolarHBondContact O-N 3.41Å; W8-R11 CarbonylContact O-C 3.5Å; W8-R11 PolarHBondContact O-N 2.8Å; R11-G15 CarbonylContact O-C 3.59Å; R11-G15 VanDerWaalsContact O-CA 3.27Å; R11-G15 WeakPolarHBondContact O-CA 3.27Å; R11-G15 PolarHBondContact O-N 3.48Å; R11-E16 HydrophobicContact CB-CB 4.15Å; R11-E16 WeakPolarHBondContact CD-O 3.18Å; R11-E16 WeakPolarHBondContact CG-O 3.28Å; R11-E16 PolarHBondContact O-N 2.64Å
12	W	52.1	Low	65.7	Low	151 Å²	151	88.1 Å²	88.1	57%	0.572	41%	0.411	S	S	*	.	H	α-helix	trans	-70.7	-44	177.2	-178.1	83.9	0	0	0	112.3	W8 Y9 R10	W8-W12 VanDerWaalsContact O-CB 3.23Å; W8-W12 WeakPolarHBondContact O-CB 3.37Å; W8-W12 PolarHBondContact O-N 3.46Å; Y9-W12 HydrophobicContact CD2-CE3 4.13Å; Y9-W12 HydrophobicContact CE2-CE3 4.06Å; Y9-W12 HydrophobicContact CE2-CZ3 4.07Å; Y9-W12 PolarHBondContact O-N 3.4Å; R10-W12 PolarHBondContact O-N 2.75Å
13	R	55.1	Low	67.9	Low	114 Å²	114	80.9 Å²	80.9	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-77.3	-30.6	-176.8	-173.3	-179.2	161.9	101.7	1.6	113.2	Y9 R10	Y9-R13 WeakPolarHBondContact O-CB 3.12Å; Y9-R13 PolarHBondContact O-N 3.36Å; R10-R13 PolarHBondContact O-N 2.96Å
14	F	57.5	Low	70.2	Confident	71 Å²	71	70.4 Å²	70.4	31%	0.311	33%	0.332	S	S	.	.	H	α-helix	trans	-117.2	-2.1	-172.6	-55.2	-56.5	0	0	0	114.8	R10 E16	R10-F14 HydrophobicContact CB-CD2 4.1Å; R10-F14 HydrophobicContact CB-CE2 4.47Å; R10-F14 HydrophobicContact CG-CD2 4.29Å; R10-F14 HydrophobicContact CG-CE2 4.17Å; R10-F14 VanDerWaalsContact O-CB 3.25Å; R10-F14 WeakPolarHBondContact O-CB 3.25Å; R10-F14 VanDerWaalsContact O-CD2 3.26Å; R10-F14 WeakPolarHBondContact O-CD2 3.26Å; R10-F14 PolarHBondContact O-N 2.61Å; F14-E16 VanDerWaalsContact C-N 3.3Å; F14-E16 HydrophobicContact CB-CG 4.18Å; F14-E16 PolarHBondContact O-N 3.25Å
15	G	52.2	Low	71.5	Confident	18 Å²	18	65.6 Å²	65.6	19%	0.186	31%	0.306	C	S	.	.			trans	72.4	17.9	-177.4	0	0	0	0	0	114.3	R11 G17 K18	R11-G15 CarbonylContact O-C 3.59Å; R11-G15 VanDerWaalsContact O-CA 3.27Å; R11-G15 WeakPolarHBondContact O-CA 3.27Å; R11-G15 PolarHBondContact O-N 3.48Å; G15-G17 PolarHBondContact O-N 3.25Å; G15-K18 PolarHBondContact O-N 2.98Å
16	E	51.6	Low	72.8	Confident	94 Å²	94	60 Å²	60	44%	0.439	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	102.3	-178.8	-56.8	178.3	157	0	0	110.6	R10 R11 F14	R10-E16 VanDerWaalsContact CB-OE2 3.28Å; R10-E16 WeakPolarHBondContact CB-OE2 3.23Å; R11-E16 HydrophobicContact CB-CB 4.15Å; R11-E16 WeakPolarHBondContact CD-O 3.18Å; R11-E16 WeakPolarHBondContact CG-O 3.28Å; R11-E16 PolarHBondContact O-N 2.64Å; F14-E16 VanDerWaalsContact C-N 3.3Å; F14-E16 HydrophobicContact CB-CG 4.18Å; F14-E16 PolarHBondContact O-N 3.25Å
17	G	62.4	Low	74.1	Confident	82 Å²	82	58.9 Å²	58.9	85%	0.845	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.6	-19.7	-178.8	0	0	0	0	0	114.9	G15	G15-G17 PolarHBondContact O-N 3.25Å
18	K	75.7	Confident	75.7	Confident	83 Å²	83	58 Å²	58	36%	0.361	27%	0.267	S	S	.	.	S	Bend	trans	-84.5	130.9	168.2	-78.8	-165.8	171.2	-164	0	109.4	G15 I20 L235	G15-K18 PolarHBondContact O-N 2.98Å; K18-I20 PolarHBondContact O-N 2.84Å; K18-L235 HydrophobicContact CB-CD2 4.37Å; K18-L235 HydrophobicContact CD-CD2 4.08Å
19	R	89.3	Confident	77.1	Confident	93 Å²	93	52.8 Å²	52.8	35%	0.351	25%	0.251	S	S	.	.			trans	-63.5	130.4	172.2	-171.7	-173.7	169	110.6	10.6	109	D21 C96 K97 L100	R19-D21 VanDerWaalsContact CD-OD2 3.23Å; R19-D21 WeakPolarHBondContact CD-OD2 3.45Å; R19-D21 VanDerWaalsContact CG-OD2 3.28Å; R19-D21 WeakPolarHBondContact CG-OD2 3.45Å; R19-D21 IonicContact CZ-OD1 3.7Å; R19-D21 IonicContact CZ-OD2 3.65Å; R19-D21 IonicContact NE-OD1 2.81Å; R19-D21 PolarHBondContact NE-OD1 3.47Å; R19-D21 VanDerWaalsContact NE-OD1 3.1Å; R19-D21 IonicContact NE-OD2 3.32Å; R19-D21 PolarHBondContact NE-OD2 3.4Å; R19-D21 IonicContact NH2-OD1 3.16Å; R19-D21 PolarHBondContact NH2-OD1 2.85Å; R19-C96 PolarHBondContact NH2-O 2.95Å; R19-K97 PolarHBondContact NH1-O 3.37Å; R19-L100 VanDerWaalsContact NH2-CD1 3.35Å
20	I	94.7	Very high	78.8	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.6	178.5	-67.1	170.2	0	0	0	108.2	K18 L22 Y43 I45 G99 L100 L127 V231 L235	K18-I20 PolarHBondContact O-N 2.84Å; I20-L22 HydrophobicContact CG2-CD1 3.7Å; I20-L22 HydrophobicContact CG2-CD2 4.42Å; I20-L22 HydrophobicContact CG2-CG 3.71Å; I20-Y43 HydrophobicContact CD1-CD1 3.4Å; I20-Y43 VanDerWaalsContact CD1-CD1 3.4Å; I20-Y43 HydrophobicContact CD1-CE1 3.91Å; I20-Y43 HydrophobicContact CD1-CG 3.77Å; I20-I45 HydrophobicContact CB-CG2 4.32Å; I20-I45 HydrophobicContact CG2-CD1 4.18Å; I20-G99 CarbonylContact O-C 3.6Å; I20-G99 VanDerWaalsContact O-CA 3.22Å; I20-G99 WeakPolarHBondContact O-CA 3.42Å; I20-L100 PolarHBondContact O-N 2.86Å; I20-L100 VanDerWaalsContact O-N 3.09Å; I20-L127 HydrophobicContact CG2-CD2 4.13Å; I20-V231 HydrophobicContact CD1-CG1 4.27Å; I20-L235 HydrophobicContact CD1-CD1 3.96Å; I20-L235 HydrophobicContact CG1-CD1 4.23Å; I20-L235 HydrophobicContact CG1-CD2 4.37Å
21	D	97.4	Very high	80.6	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	175.2	-56.8	-83.1	0	0	0	109.5	R19 L100 I124 L126 L127	R19-D21 VanDerWaalsContact CD-OD2 3.23Å; R19-D21 WeakPolarHBondContact CD-OD2 3.45Å; R19-D21 VanDerWaalsContact CG-OD2 3.28Å; R19-D21 WeakPolarHBondContact CG-OD2 3.45Å; R19-D21 IonicContact CZ-OD1 3.7Å; R19-D21 IonicContact CZ-OD2 3.65Å; R19-D21 IonicContact NE-OD1 2.81Å; R19-D21 PolarHBondContact NE-OD1 3.47Å; R19-D21 VanDerWaalsContact NE-OD1 3.1Å; R19-D21 IonicContact NE-OD2 3.32Å; R19-D21 PolarHBondContact NE-OD2 3.4Å; R19-D21 IonicContact NH2-OD1 3.16Å; R19-D21 PolarHBondContact NH2-OD1 2.85Å; D21-L100 CarbonylContact C-O 3.53Å; D21-L100 VanDerWaalsContact CA-O 3.25Å; D21-L100 WeakPolarHBondContact CA-O 3.37Å; D21-L100 HydrophobicContact CB-CB 4.32Å; D21-L100 WeakPolarHBondContact OD1-CB 3.48Å; D21-L100 VanDerWaalsContact OD1-CD1 3.31Å; D21-L100 WeakPolarHBondContact OD1-CD1 3.43Å; D21-L100 WeakPolarHBondContact OD1-CG 3.29Å; D21-L100 PolarHBondContact OD1-N 2.94Å; D21-I124 HydrophobicContact CB-CG2 4.11Å; D21-I124 VanDerWaalsContact CG-CG2 3.4Å; D21-I124 VanDerWaalsContact OD2-CG2 3.27Å; D21-I124 WeakPolarHBondContact OD2-CG2 3.49Å; D21-L126 HydrophobicContact CB-CD1 4.25Å; D21-L126 WeakPolarHBondContact O-CD1 3.43Å; D21-L127 WeakPolarHBondContact O-CB 3.37Å; D21-L127 PolarHBondContact O-N 3.36Å
22	L	98.5	Very high	82.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.8	-171.3	-67	171.7	0	0	0	111.5	I20 I39 L100 L101 F102 L127 A128 L130 V231	I20-L22 HydrophobicContact CG2-CD1 3.7Å; I20-L22 HydrophobicContact CG2-CD2 4.42Å; I20-L22 HydrophobicContact CG2-CG 3.71Å; L22-I39 HydrophobicContact CD1-CG2 3.96Å; L22-L100 PolarHBondContact N-O 3.04Å; L22-L101 HydrophobicContact CB-CD1 3.66Å; L22-L101 HydrophobicContact CD1-CD1 4.36Å; L22-L101 WeakPolarHBondContact O-CA 3.5Å; L22-F102 WeakPolarHBondContact O-CD2 3.3Å; L22-F102 PolarHBondContact O-N 3.23Å; L22-L127 HydrophobicContact CD2-CB 4.32Å; L22-L127 HydrophobicContact CD2-CD2 4.18Å; L22-L127 HydrophobicContact CD2-CG 4.47Å; L22-A128 WeakPolarHBondContact CA-O 3.32Å; L22-A128 HydrophobicContact CD2-CB 3.84Å; L22-L130 HydrophobicContact CD1-CD1 4.26Å; L22-L130 HydrophobicContact CD2-CD1 4.44Å; L22-L130 HydrophobicContact CD2-CG 4.43Å; L22-V231 HydrophobicContact CD1-CG2 4.09Å; L22-V231 HydrophobicContact CD2-CG2 4.44Å
23	V	98.7	Very high	84.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.4	169.6	164.9	0	0	0	0	109.2	I25 F102 L115 L126 A128 A129 L130 Y205	V23-I25 HydrophobicContact CG1-CD1 4.18Å; V23-I25 HydrophobicContact CG1-CG1 3.76Å; V23-F102 HydrophobicContact CG2-CB 4.02Å; V23-F102 HydrophobicContact CG2-CD2 3.82Å; V23-F102 HydrophobicContact CG2-CG 4.25Å; V23-L115 HydrophobicContact CG2-CD2 3.73Å; V23-L126 HydrophobicContact CB-CD2 4.46Å; V23-L126 HydrophobicContact CG2-CD1 3.79Å; V23-L126 HydrophobicContact CG2-CD2 3.84Å; V23-L126 HydrophobicContact CG2-CG 4.47Å; V23-A128 PolarHBondContact N-O 3.44Å; V23-A129 HydrophobicContact CB-CB 4.19Å; V23-A129 HydrophobicContact CG1-CB 4.32Å; V23-A129 CarbonylContact O-C 3.43Å; V23-A129 WeakPolarHBondContact O-CA 3.25Å; V23-L130 PolarHBondContact O-N 3.16Å; V23-Y205 HydrophobicContact CG1-CE2 4.23Å
24	L	98.6	Very high	86.3	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.4	173.7	-54.5	-173.1	0	0	0	110.9	K32 A36 I39 L101 F102 D103 L130 F132	L24-K32 HydrophobicContact CB-CD 4.09Å; L24-K32 HydrophobicContact CB-CG 4.23Å; L24-K32 HydrophobicContact CD1-CB 4.45Å; L24-A36 HydrophobicContact CD1-CB 3.6Å; L24-I39 HydrophobicContact CD2-CD1 4.15Å; L24-L101 HydrophobicContact CD1-CD1 4.06Å; L24-L101 HydrophobicContact CD1-CD2 4.44Å; L24-L101 HydrophobicContact CD1-CG 4.35Å; L24-L101 HydrophobicContact CD2-CD1 3.8Å; L24-L101 HydrophobicContact CG-CD1 3.74Å; L24-L101 HydrophobicContact CG-CG 4.42Å; L24-F102 PolarHBondContact N-O 2.84Å; L24-D103 HydrophobicContact CD1-CB 4.43Å; L24-L130 HydrophobicContact CD2-CB 3.88Å; L24-L130 HydrophobicContact CD2-CD1 3.8Å; L24-L130 HydrophobicContact CD2-CG 4.24Å; L24-F132 HydrophobicContact CD2-CE2 4.11Å
25	I	98.2	Very high	88.1	Confident	8 Å²	8	27.2 Å²	27.2	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.5	179.6	-51.9	177.5	0	0	0	109.3	V23 K32 A129 L130 E131 F132 Y194 V198 I201 L202 Y205	V23-I25 HydrophobicContact CG1-CD1 4.18Å; V23-I25 HydrophobicContact CG1-CG1 3.76Å; I25-K32 VanDerWaalsContact C-CD 3.48Å; I25-A129 HydrophobicContact CD1-CB 3.92Å; I25-L130 PolarHBondContact N-O 3.14Å; I25-L130 VanDerWaalsContact O-O 3.11Å; I25-E131 CarbonylContact O-C 3.02Å; I25-E131 WeakPolarHBondContact O-CA 3.39Å; I25-F132 PolarHBondContact O-N 2.72Å; I25-Y194 HydrophobicContact CG2-CE2 4.46Å; I25-V198 HydrophobicContact CG2-CG2 3.94Å; I25-I201 HydrophobicContact CD1-CG2 3.81Å; I25-L202 HydrophobicContact CD1-CD2 4.18Å; I25-L202 HydrophobicContact CG2-CD2 3.97Å; I25-Y205 HydrophobicContact CD1-CD2 3.64Å; I25-Y205 HydrophobicContact CD1-CE2 3.84Å
26	G	96.4	Very high	90.2	Very high	8 Å²	8	26.4 Å²	26.4	8%	0.082	17%	0.167	C	C	.	.			trans	159.4	162	177.9	0	0	0	0	0	111.5	K32 Y194	G26-K32 VanDerWaalsContact C-NZ 3.26Å; G26-K32 WeakPolarHBondContact O-CE 3.35Å; G26-K32 PolarHBondContact O-NZ 2.81Å; G26-Y194 VanDerWaalsContact C-CZ 3.44Å; G26-Y194 WeakPolarHBondContact CA-OH 3.39Å; G26-Y194 WeakPolarHBondContact O-CE2 3.35Å
27	P	94.8	Very high	92.1	Very high	12 Å²	12	24.4 Å²	24.4	8%	0.078	16%	0.161	C	C	.	.			trans	-68.3	159.7	-177	28.2	-33.6	0	0	0	111.5	G29 S30 K32 L134 L139 L191 Y194	P27-G29 PolarHBondContact O-N 3.15Å; P27-S30 WeakPolarHBondContact O-CB 3.47Å; P27-S30 PolarHBondContact O-N 3.17Å; P27-S30 VanDerWaalsContact O-N 3.16Å; P27-S30 PolarHBondContact O-OG 3.07Å; P27-S30 VanDerWaalsContact O-OG 3.07Å; P27-K32 PolarHBondContact O-NZ 3.48Å; P27-L134 HydrophobicContact CG-CD2 3.67Å; P27-L139 HydrophobicContact CB-CD1 3.79Å; P27-L139 HydrophobicContact CG-CD1 3.73Å; P27-L139 HydrophobicContact CG-CD2 4.17Å; P27-L191 HydrophobicContact CB-CD2 4.05Å; P27-Y194 HydrophobicContact CB-CD1 3.67Å; P27-Y194 HydrophobicContact CB-CE1 3.66Å; P27-Y194 HydrophobicContact CB-CE2 4.5Å; P27-Y194 HydrophobicContact CB-CG 4.1Å; P27-Y194 WeakPolarHBondContact CD-OH 3.14Å; P27-Y194 HydrophobicContact CG-CE1 4.13Å; P27-Y194 VanDerWaalsContact N-CZ 3.28Å
28	P	91.9	Very high	93.7	Very high	20 Å²	20	23.2 Å²	23.2	13%	0.13	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.1	139	161.8	-27.1	32.7	0	0	0	111.4	S30 L139 I143 L187 R190 L191	P28-S30 VanDerWaalsContact C-N 3.26Å; P28-S30 PolarHBondContact O-N 3.26Å; P28-L139 WeakPolarHBondContact O-CD2 3.31Å; P28-I143 VanDerWaalsContact C-CD1 3.43Å; P28-I143 HydrophobicContact CB-CD1 3.61Å; P28-L187 HydrophobicContact CB-CD1 3.94Å; P28-R190 HydrophobicContact CB-CB 4.49Å; P28-R190 HydrophobicContact CG-CB 3.67Å; P28-L191 HydrophobicContact CG-CD2 4.43Å
29	G	90.7	Very high	94.7	Very high	11 Å²	11	19.2 Å²	19.2	11%	0.113	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-2	178.5	0	0	0	0	0	115.5	P27 G31 R142 I143	P27-G29 PolarHBondContact O-N 3.15Å; G29-G31 PolarHBondContact O-N 2.99Å; G29-G31 VanDerWaalsContact O-N 3.1Å; G29-R142 VanDerWaalsContact O-CD 3.3Å; G29-R142 WeakPolarHBondContact O-CD 3.46Å; G29-I143 VanDerWaalsContact CA-CG1 3.44Å
30	S	93.4	Very high	94.9	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	10%	0.104	C	C	.	.	S	Bend	trans	-71.4	-0.7	-179.3	76.7	0	0	0	0	116.2	P27 P28 K32 F132 L134	P27-S30 WeakPolarHBondContact O-CB 3.47Å; P27-S30 PolarHBondContact O-N 3.17Å; P27-S30 VanDerWaalsContact O-N 3.16Å; P27-S30 PolarHBondContact O-OG 3.07Å; P27-S30 VanDerWaalsContact O-OG 3.07Å; P28-S30 VanDerWaalsContact C-N 3.26Å; P28-S30 PolarHBondContact O-N 3.26Å; S30-K32 WeakPolarHBondContact OG-CG 3.37Å; S30-K32 PolarHBondContact OG-NZ 3.35Å; S30-F132 WeakPolarHBondContact O-CD1 3.34Å; S30-L134 VanDerWaalsContact CB-CD2 3.47Å
31	G	91.8	Very high	94.9	Very high	27 Å²	27	22.8 Å²	22.8	28%	0.278	14%	0.138	S	C	.	.	S	Bend	trans	81.7	6.3	-176.4	0	0	0	0	0	115.3	G29 G33 T34 Q35	G29-G31 PolarHBondContact O-N 2.99Å; G29-G31 VanDerWaalsContact O-N 3.1Å; G31-G33 PolarHBondContact O-N 2.92Å; G31-T34 WeakPolarHBondContact O-CB 3.34Å; G31-T34 PolarHBondContact O-N 3.37Å; G31-Q35 PolarHBondContact O-N 3.43Å
32	K	94.5	Very high	94.7	Very high	23 Å²	23	26.8 Å²	26.8	10%	0.1	15%	0.153	C	C	.	.	H	α-helix	trans	-51	-53.8	177.5	-78.3	177.6	-42.2	-63.8	0	113.3	L24 I25 G26 P27 S30 T34 Q35 A36 F132	L24-K32 HydrophobicContact CB-CD 4.09Å; L24-K32 HydrophobicContact CB-CG 4.23Å; L24-K32 HydrophobicContact CD1-CB 4.45Å; I25-K32 VanDerWaalsContact C-CD 3.48Å; G26-K32 VanDerWaalsContact C-NZ 3.26Å; G26-K32 WeakPolarHBondContact O-CE 3.35Å; G26-K32 PolarHBondContact O-NZ 2.81Å; P27-K32 PolarHBondContact O-NZ 3.48Å; S30-K32 WeakPolarHBondContact OG-CG 3.37Å; S30-K32 PolarHBondContact OG-NZ 3.35Å; K32-T34 VanDerWaalsContact C-N 3.28Å; K32-T34 PolarHBondContact O-N 3.32Å; K32-Q35 CarbonylContact O-C 3.54Å; K32-Q35 PolarHBondContact O-N 2.99Å; K32-Q35 VanDerWaalsContact O-N 3.09Å; K32-A36 WeakPolarHBondContact O-CB 3.11Å; K32-A36 PolarHBondContact O-N 3.37Å; K32-F132 HydrophobicContact CD-CD2 4.34Å; K32-F132 HydrophobicContact CG-CB 4.26Å; K32-F132 HydrophobicContact CG-CD1 4.08Å; K32-F132 HydrophobicContact CG-CD2 3.64Å; K32-F132 HydrophobicContact CG-CE1 4.34Å; K32-F132 HydrophobicContact CG-CE2 3.97Å; K32-F132 HydrophobicContact CG-CG 3.73Å; K32-F132 HydrophobicContact CG-CZ 4.3Å
33	G	91.9	Very high	94.5	Very high	33 Å²	33	28.5 Å²	28.5	34%	0.34	16%	0.16	S	C	.	.	H	α-helix	trans	-59.9	-38.2	-178.7	0	0	0	0	0	112.8	G31 A36 V37	G31-G33 PolarHBondContact O-N 2.92Å; G33-A36 WeakPolarHBondContact O-CB 3.43Å; G33-A36 PolarHBondContact O-N 2.93Å; G33-V37 PolarHBondContact O-N 3.49Å
34	T	91.7	Very high	94.3	Very high	44 Å²	44	33.9 Å²	33.9	27%	0.27	19%	0.189	S	C	.	.	H	α-helix	trans	-62.6	-45.6	174.3	-52.5	0	0	0	0	111.7	G31 K32 A36 V220	G31-T34 WeakPolarHBondContact O-CB 3.34Å; G31-T34 PolarHBondContact O-N 3.37Å; K32-T34 VanDerWaalsContact C-N 3.28Å; K32-T34 PolarHBondContact O-N 3.32Å; T34-A36 VanDerWaalsContact C-N 3.32Å; T34-V220 HydrophobicContact CG2-CG1 3.88Å; T34-V220 HydrophobicContact CG2-CG2 4.25Å
35	Q	95.2	Very high	94.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-32.6	175.1	-65.7	-54.9	-27.7	0	0	112.1	G31 K32 V37 K38 I39 F132 V220 V223 F224 I227	G31-Q35 PolarHBondContact O-N 3.43Å; K32-Q35 CarbonylContact O-C 3.54Å; K32-Q35 PolarHBondContact O-N 2.99Å; K32-Q35 VanDerWaalsContact O-N 3.09Å; Q35-V37 VanDerWaalsContact C-N 3.34Å; Q35-V37 PolarHBondContact O-N 3.32Å; Q35-K38 PolarHBondContact O-N 3.47Å; Q35-K38 VanDerWaalsContact O-N 3.16Å; Q35-I39 HydrophobicContact CB-CD1 4.16Å; Q35-I39 WeakPolarHBondContact O-CB 3.49Å; Q35-I39 WeakPolarHBondContact O-CD1 3.22Å; Q35-I39 WeakPolarHBondContact O-CG1 3.45Å; Q35-I39 PolarHBondContact O-N 3.49Å; Q35-F132 HydrophobicContact CB-CE1 3.97Å; Q35-F132 HydrophobicContact CB-CZ 3.73Å; Q35-F132 HydrophobicContact CG-CE1 3.52Å; Q35-F132 HydrophobicContact CG-CZ 3.76Å; Q35-V220 PolarHBondContact NE2-O 3.49Å; Q35-V223 HydrophobicContact CG-CG1 3.89Å; Q35-F224 VanDerWaalsContact OE1-CB 3.24Å; Q35-I227 HydrophobicContact CB-CD1 4.03Å; Q35-I227 HydrophobicContact CG-CD1 3.87Å
36	A	96	Very high	94.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-43.9	-176.5	0	0	0	0	0	111.6	L24 K32 G33 T34 K38 I39 A40 H47 L101 D103	L24-A36 HydrophobicContact CD1-CB 3.6Å; K32-A36 WeakPolarHBondContact O-CB 3.11Å; K32-A36 PolarHBondContact O-N 3.37Å; G33-A36 WeakPolarHBondContact O-CB 3.43Å; G33-A36 PolarHBondContact O-N 2.93Å; T34-A36 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.49Å; A36-I39 PolarHBondContact O-N 3.46Å; A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.28Å; A36-A40 PolarHBondContact O-N 2.93Å; A36-H47 WeakPolarHBondContact CB-NE2 3.32Å; A36-L101 HydrophobicContact CB-CD2 3.84Å; A36-L101 WeakPolarHBondContact O-CD2 3.5Å; A36-D103 HydrophobicContact CB-CB 4.25Å
37	V	93.1	Very high	94	Very high	52 Å²	52	37.1 Å²	37.1	32%	0.315	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-48.4	174.4	176.7	0	0	0	0	110.8	G33 Q35 I39 A40 E41	G33-V37 PolarHBondContact O-N 3.49Å; Q35-V37 VanDerWaalsContact C-N 3.34Å; Q35-V37 PolarHBondContact O-N 3.32Å; V37-I39 PolarHBondContact O-N 2.68Å; V37-A40 PolarHBondContact O-N 3.18Å; V37-E41 WeakPolarHBondContact O-CB 3.43Å; V37-E41 PolarHBondContact O-N 3.33Å
38	K	94.5	Very high	94.1	Very high	57 Å²	57	37 Å²	37	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-41.2	178.5	-75.4	175.2	155.9	-88.5	0	112.8	Q35 A36 R42 V220 N221 F224	Q35-K38 PolarHBondContact O-N 3.47Å; Q35-K38 VanDerWaalsContact O-N 3.16Å; A36-K38 PolarHBondContact O-N 3.49Å; K38-R42 WeakPolarHBondContact O-CB 3.46Å; K38-R42 PolarHBondContact O-N 3Å; K38-V220 HydrophobicContact CD-CG1 4.25Å; K38-N221 PolarHBondContact NZ-OD1 3.23Å; K38-F224 HydrophobicContact CB-CD2 3.71Å; K38-F224 HydrophobicContact CB-CE1 4.42Å; K38-F224 HydrophobicContact CB-CE2 3.52Å; K38-F224 HydrophobicContact CB-CG 4.26Å; K38-F224 HydrophobicContact CB-CZ 3.89Å; K38-F224 HydrophobicContact CD-CB 4.25Å; K38-F224 HydrophobicContact CD-CD1 4.38Å; K38-F224 HydrophobicContact CD-CD2 4.2Å; K38-F224 HydrophobicContact CD-CG 4.02Å
39	I	96.4	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-49.1	179	-67.6	163.2	0	0	0	109.9	L22 L24 Q35 A36 V37 E41 R42 Y43 I45 L101 F224 I227	L22-I39 HydrophobicContact CD1-CG2 3.96Å; L24-I39 HydrophobicContact CD2-CD1 4.15Å; Q35-I39 HydrophobicContact CB-CD1 4.16Å; Q35-I39 WeakPolarHBondContact O-CB 3.49Å; Q35-I39 WeakPolarHBondContact O-CD1 3.22Å; Q35-I39 WeakPolarHBondContact O-CG1 3.45Å; Q35-I39 PolarHBondContact O-N 3.49Å; A36-I39 PolarHBondContact O-N 3.46Å; V37-I39 PolarHBondContact O-N 2.68Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 2.79Å; I39-R42 PolarHBondContact O-N 2.93Å; I39-Y43 HydrophobicContact CG2-CD2 3.81Å; I39-Y43 HydrophobicContact CG2-CE2 4.18Å; I39-Y43 VanDerWaalsContact O-CD2 3.32Å; I39-Y43 WeakPolarHBondContact O-CD2 3.27Å; I39-Y43 PolarHBondContact O-N 3.05Å; I39-I45 HydrophobicContact CG2-CD1 4.14Å; I39-L101 HydrophobicContact CB-CD2 3.89Å; I39-L101 HydrophobicContact CG2-CD1 4.07Å; I39-L101 HydrophobicContact CG2-CD2 3.8Å; I39-F224 HydrophobicContact CG1-CD2 4.42Å; I39-F224 HydrophobicContact CG1-CE2 4.02Å; I39-I227 HydrophobicContact CD1-CD1 4.22Å; I39-I227 HydrophobicContact CD1-CG2 3.92Å; I39-I227 HydrophobicContact CG1-CG2 4.01Å
40	A	95.1	Very high	94.4	Very high	13 Å²	13	36.3 Å²	36.3	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-46.2	-179.8	0	0	0	0	0	111.6	A36 V37 N44 I45 H47 L101	A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.28Å; A36-A40 PolarHBondContact O-N 2.93Å; V37-A40 PolarHBondContact O-N 3.18Å; A40-N44 WeakPolarHBondContact O-CA 3.47Å; A40-N44 PolarHBondContact O-N 3.45Å; A40-I45 WeakPolarHBondContact CB-O 3.44Å; A40-I45 PolarHBondContact O-N 2.92Å; A40-H47 HydrophobicContact CB-CB 3.92Å; A40-L101 HydrophobicContact CB-CD2 4.23Å
41	E	93.5	Very high	94.3	Very high	160 Å²	160	36.6 Å²	36.6	75%	0.748	20%	0.199	S	C	*	.	H	α-helix	trans	-63.3	-48.6	175.5	-176.1	179	-168.8	0	0	111.8	V37 I39 Y43 N44	V37-E41 WeakPolarHBondContact O-CB 3.43Å; V37-E41 PolarHBondContact O-N 3.33Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 2.79Å; E41-Y43 VanDerWaalsContact C-N 3.33Å; E41-Y43 PolarHBondContact O-N 3.22Å; E41-N44 PolarHBondContact O-N 2.94Å
42	R	94.5	Very high	94.3	Very high	86 Å²	86	37.9 Å²	37.9	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-37.6	-174.8	176.2	63.9	-173.5	110.2	-10	114.1	K38 I39 F224	K38-R42 WeakPolarHBondContact O-CB 3.46Å; K38-R42 PolarHBondContact O-N 3Å; I39-R42 PolarHBondContact O-N 2.93Å; R42-F224 HydrophobicContact CB-CZ 3.75Å; R42-F224 HydrophobicContact CG-CZ 3.97Å
43	Y	94.4	Very high	94.3	Very high	37 Å²	37	38 Å²	38	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-104.7	-0.6	-177.2	-61.3	-64	0	0	0	113.1	I20 I39 E41 I45 V231	I20-Y43 HydrophobicContact CD1-CD1 3.4Å; I20-Y43 VanDerWaalsContact CD1-CD1 3.4Å; I20-Y43 HydrophobicContact CD1-CE1 3.91Å; I20-Y43 HydrophobicContact CD1-CG 3.77Å; I39-Y43 HydrophobicContact CG2-CD2 3.81Å; I39-Y43 HydrophobicContact CG2-CE2 4.18Å; I39-Y43 VanDerWaalsContact O-CD2 3.32Å; I39-Y43 WeakPolarHBondContact O-CD2 3.27Å; I39-Y43 PolarHBondContact O-N 3.05Å; E41-Y43 VanDerWaalsContact C-N 3.33Å; E41-Y43 PolarHBondContact O-N 3.22Å; Y43-I45 VanDerWaalsContact C-N 3.34Å; Y43-I45 WeakPolarHBondContact O-CG2 3.4Å; Y43-I45 PolarHBondContact O-N 3.38Å; Y43-V231 HydrophobicContact CE1-CG1 4.21Å; Y43-V231 HydrophobicContact CE2-CG1 4.24Å
44	N	94	Very high	94.4	Very high	112 Å²	112	37.2 Å²	37.2	60%	0.599	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	50.2	-176.6	-171.1	32.1	0	0	0	112.5	A40 E41 N98	A40-N44 WeakPolarHBondContact O-CA 3.47Å; A40-N44 PolarHBondContact O-N 3.45Å; E41-N44 PolarHBondContact O-N 2.94Å; N44-N98 PolarHBondContact ND2-ND2 3.16Å; N44-N98 VanDerWaalsContact ND2-ND2 3.16Å; N44-N98 WeakPolarHBondContact O-CB 3.44Å
45	I	95.7	Very high	94.4	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.051	19%	0.188	C	C	.	.			trans	-116.8	155.6	-178.3	62.9	176.4	0	0	0	111.6	I20 I39 A40 Y43 H47 L101	I20-I45 HydrophobicContact CB-CG2 4.32Å; I20-I45 HydrophobicContact CG2-CD1 4.18Å; I39-I45 HydrophobicContact CG2-CD1 4.14Å; A40-I45 WeakPolarHBondContact CB-O 3.44Å; A40-I45 PolarHBondContact O-N 2.92Å; Y43-I45 VanDerWaalsContact C-N 3.34Å; Y43-I45 WeakPolarHBondContact O-CG2 3.4Å; Y43-I45 PolarHBondContact O-N 3.38Å; I45-H47 PolarHBondContact O-N 3.34Å; I45-L101 HydrophobicContact CD1-CB 3.92Å; I45-L101 HydrophobicContact CG1-CB 4.28Å
46	C	95.9	Very high	94.3	Very high	16 Å²	16	41.1 Å²	41.1	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.3	-174.1	-168.7	0	0	0	0	111.6	L48 E95 C96 G99 L100 L101	C46-L48 PolarHBondContact O-N 3.5Å; C46-E95 WeakPolarHBondContact CB-O 3.12Å; C46-C96 HydrophobicContact CB-CB 3.67Å; C46-C96 WeakPolarHBondContact CB-SG 3.05Å; C46-C96 VanDerWaalsContact SG-CA 3.51Å; C46-C96 WeakPolarHBondContact SG-CB 3.13Å; C46-C96 PolarHBondContact SG-N 2.91Å; C46-C96 CovalentContact SG-SG 2.07Å; C46-C96 PolarHBondContact SG-SG 2.76Å; C46-G99 WeakPolarHBondContact CB-O 3.48Å; C46-G99 PolarHBondContact N-O 3.34Å; C46-L100 HydrophobicContact CB-CD2 4.27Å; C46-L101 PolarHBondContact O-N 3.2Å
47	H	95.7	Very high	94.3	Very high	60 Å²	60	42.4 Å²	42.4	28%	0.278	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	101.6	176.2	-177.3	-159.1	0	0	0	110.8	A36 A40 I45 S49 D103	A36-H47 WeakPolarHBondContact CB-NE2 3.32Å; A40-H47 HydrophobicContact CB-CB 3.92Å; I45-H47 PolarHBondContact O-N 3.34Å; H47-S49 PolarHBondContact O-N 3.4Å; H47-D103 IonicContact CE1-OD2 3.8Å; H47-D103 VanDerWaalsContact NE2-CB 3.28Å; H47-D103 WeakPolarHBondContact NE2-CB 3.22Å; H47-D103 IonicContact NE2-OD2 2.72Å; H47-D103 PolarHBondContact NE2-OD2 3Å; H47-D103 VanDerWaalsContact NE2-OD2 3.09Å
48	L	96.7	Very high	94.4	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	86.9	174.8	-66.9	-178.1	0	0	0	110.1	C46 I87 K90 L100 L101 F102 D103	C46-L48 PolarHBondContact O-N 3.5Å; L48-I87 HydrophobicContact CB-CD1 4.3Å; L48-K90 HydrophobicContact CD2-CB 3.74Å; L48-L100 HydrophobicContact CD1-CD2 3.85Å; L48-L101 PolarHBondContact N-O 2.78Å; L48-F102 HydrophobicContact CB-CD1 4.27Å; L48-F102 HydrophobicContact CD1-CD1 4.13Å; L48-F102 HydrophobicContact CD1-CE1 3.68Å; L48-F102 HydrophobicContact CD1-CZ 4.37Å; L48-D103 PolarHBondContact O-N 2.65Å
49	S	94.7	Very high	94.3	Very high	10 Å²	10	43 Å²	43	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.1	174.2	-173.9	0	0	0	0	111.8	H47 G51 D52 I53 D103	H47-S49 PolarHBondContact O-N 3.4Å; S49-G51 PolarHBondContact O-N 2.92Å; S49-D52 VanDerWaalsContact CB-OD2 3.26Å; S49-D52 WeakPolarHBondContact CB-OD2 3.5Å; S49-D52 PolarHBondContact O-N 2.93Å; S49-D52 PolarHBondContact OG-N 3.18Å; S49-D52 PolarHBondContact OG-OD2 2.85Å; S49-I53 WeakPolarHBondContact O-CG1 3.28Å; S49-I53 PolarHBondContact O-N 3.13Å; S49-D103 WeakPolarHBondContact CA-O 3.48Å
50	T	94.2	Very high	94.3	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-33.4	174.9	52.5	0	0	0	0	112	D52 I53 L54 V83 I87 D103 G104 F105	T50-D52 PolarHBondContact O-N 3.28Å; T50-I53 PolarHBondContact O-N 3.06Å; T50-L54 WeakPolarHBondContact O-CB 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.2Å; T50-L54 PolarHBondContact O-N 3.05Å; T50-V83 HydrophobicContact CG2-CG1 3.68Å; T50-I87 HydrophobicContact CG2-CD1 3.81Å; T50-I87 HydrophobicContact CG2-CG1 4.11Å; T50-D103 PolarHBondContact N-O 3.2Å; T50-D103 VanDerWaalsContact N-O 3.15Å; T50-D103 PolarHBondContact OG1-O 3.41Å; T50-G104 PolarHBondContact OG1-O 3.1Å; T50-F105 HydrophobicContact CG2-CB 3.57Å; T50-F105 HydrophobicContact CG2-CD2 4.11Å; T50-F105 HydrophobicContact CG2-CG 4.1Å
51	G	91.4	Very high	94.3	Very high	8 Å²	8	48.1 Å²	48.1	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-43.6	176.3	0	0	0	0	0	112.2	S49 R55	S49-G51 PolarHBondContact O-N 2.92Å; G51-R55 WeakPolarHBondContact O-CB 3.21Å; G51-R55 WeakPolarHBondContact O-CG 3.24Å; G51-R55 PolarHBondContact O-N 3.22Å; G51-R55 PolarHBondContact O-NE 2.82Å; G51-R55 PolarHBondContact O-NH2 3.4Å
52	D	91.6	Very high	94.4	Very high	55 Å²	55	42.8 Å²	42.8	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-72.9	-39	-179.2	-64	-32.8	0	0	0	111.5	S49 T50 L54 R55 A56 R179	S49-D52 VanDerWaalsContact CB-OD2 3.26Å; S49-D52 WeakPolarHBondContact CB-OD2 3.5Å; S49-D52 PolarHBondContact O-N 2.93Å; S49-D52 PolarHBondContact OG-N 3.18Å; S49-D52 PolarHBondContact OG-OD2 2.85Å; T50-D52 PolarHBondContact O-N 3.28Å; D52-L54 PolarHBondContact O-N 3.33Å; D52-R55 PolarHBondContact O-N 3.34Å; D52-R55 IonicContact OD1-CZ 2.77Å; D52-R55 IonicContact OD1-NE 3.52Å; D52-R55 PolarHBondContact OD1-NE 3.17Å; D52-R55 IonicContact OD1-NH2 2.84Å; D52-R55 PolarHBondContact OD1-NH2 2.98Å; D52-A56 WeakPolarHBondContact O-CB 3.44Å; D52-A56 PolarHBondContact O-N 3.1Å; D52-R179 IonicContact OD1-NH2 2.91Å
53	I	93.9	Very high	94.5	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-49.7	172.9	-65	165.5	0	0	0	110.5	S49 T50 R55 A56 I57 L86 I87 K90	S49-I53 WeakPolarHBondContact O-CG1 3.28Å; S49-I53 PolarHBondContact O-N 3.13Å; T50-I53 PolarHBondContact O-N 3.06Å; I53-R55 PolarHBondContact O-N 2.82Å; I53-A56 PolarHBondContact O-N 3.36Å; I53-I57 HydrophobicContact CG2-CD1 4.02Å; I53-I57 WeakPolarHBondContact O-CG1 3.23Å; I53-I57 PolarHBondContact O-N 2.89Å; I53-L86 HydrophobicContact CG2-CB 4.25Å; I53-L86 HydrophobicContact CG2-CD1 4.01Å; I53-L86 HydrophobicContact CG2-CD2 4.14Å; I53-L86 HydrophobicContact CG2-CG 4.37Å; I53-I87 HydrophobicContact CD1-CD1 4.48Å; I53-K90 HydrophobicContact CD1-CG 4.16Å
54	L	94.7	Very high	94.6	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-38.3	179.9	-68.4	172.9	0	0	0	112	T50 D52 I57 I58 V68 V78 L86	T50-L54 WeakPolarHBondContact O-CB 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.2Å; T50-L54 PolarHBondContact O-N 3.05Å; D52-L54 PolarHBondContact O-N 3.33Å; L54-I57 PolarHBondContact O-N 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.41Å; L54-I58 PolarHBondContact O-N 3.44Å; L54-V68 HydrophobicContact CB-CG1 4.14Å; L54-V68 HydrophobicContact CD2-CG1 3.94Å; L54-V68 HydrophobicContact CD2-CG2 4.44Å; L54-V78 HydrophobicContact CD1-CB 4.31Å; L54-V78 HydrophobicContact CD1-CG2 3.84Å; L54-V78 HydrophobicContact CD2-CB 4.43Å; L54-V78 HydrophobicContact CD2-CG1 4.31Å; L54-V78 HydrophobicContact CD2-CG2 4.07Å; L54-L86 HydrophobicContact CD2-CD1 3.95Å
55	R	92.3	Very high	94.7	Very high	65 Å²	65	41.2 Å²	41.2	25%	0.245	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-39.9	174.3	-81.3	-178.6	-75.7	-82.5	-1.8	112.6	G51 D52 I53 I57 I58 A59 R179	G51-R55 WeakPolarHBondContact O-CB 3.21Å; G51-R55 WeakPolarHBondContact O-CG 3.24Å; G51-R55 PolarHBondContact O-N 3.22Å; G51-R55 PolarHBondContact O-NE 2.82Å; G51-R55 PolarHBondContact O-NH2 3.4Å; D52-R55 PolarHBondContact O-N 3.34Å; D52-R55 IonicContact OD1-CZ 2.77Å; D52-R55 IonicContact OD1-NE 3.52Å; D52-R55 PolarHBondContact OD1-NE 3.17Å; D52-R55 IonicContact OD1-NH2 2.84Å; D52-R55 PolarHBondContact OD1-NH2 2.98Å; I53-R55 PolarHBondContact O-N 2.82Å; R55-I57 VanDerWaalsContact C-N 3.31Å; R55-I57 PolarHBondContact O-N 3.47Å; R55-I58 PolarHBondContact O-N 2.98Å; R55-A59 WeakPolarHBondContact O-CB 3.41Å; R55-A59 PolarHBondContact O-N 3.09Å; R55-R179 VanDerWaalsContact NH2-CZ 3.25Å
56	A	92.9	Very high	94.7	Very high	64 Å²	64	46.5 Å²	46.5	53%	0.529	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-38.8	174.2	0	0	0	0	0	111.6	D52 I53 A59 S60	D52-A56 WeakPolarHBondContact O-CB 3.44Å; D52-A56 PolarHBondContact O-N 3.1Å; I53-A56 PolarHBondContact O-N 3.36Å; A56-A59 PolarHBondContact O-N 3.03Å; A56-S60 PolarHBondContact O-N 3.05Å; A56-S60 VanDerWaalsContact O-N 3.08Å
57	I	95.1	Very high	94.8	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.138	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-42.2	174.7	-66.1	165.8	0	0	0	111.1	I53 L54 R55 S60 L64 G65 L86	I53-I57 HydrophobicContact CG2-CD1 4.02Å; I53-I57 WeakPolarHBondContact O-CG1 3.23Å; I53-I57 PolarHBondContact O-N 2.89Å; L54-I57 PolarHBondContact O-N 3.27Å; R55-I57 VanDerWaalsContact C-N 3.31Å; R55-I57 PolarHBondContact O-N 3.47Å; I57-S60 WeakPolarHBondContact O-CB 3.31Å; I57-S60 PolarHBondContact O-N 3.16Å; I57-S60 PolarHBondContact O-OG 3.48Å; I57-L64 HydrophobicContact CG2-CD2 4.21Å; I57-L64 HydrophobicContact CG2-CG 4.1Å; I57-G65 WeakPolarHBondContact O-CA 3.33Å; I57-L86 HydrophobicContact CD1-CD1 3.58Å; I57-L86 HydrophobicContact CD1-CD2 3.65Å; I57-L86 HydrophobicContact CD1-CG 4.28Å
58	I	95	Very high	94.8	Very high	33 Å²	33	48.6 Å²	48.6	17%	0.169	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-48.4	173.5	-67	165.3	0	0	0	110.6	L54 R55 S60 G61 V68 Q69	L54-I58 WeakPolarHBondContact O-CG1 3.41Å; L54-I58 PolarHBondContact O-N 3.44Å; R55-I58 PolarHBondContact O-N 2.98Å; I58-S60 PolarHBondContact O-N 3.4Å; I58-S60 VanDerWaalsContact O-N 3.16Å; I58-G61 PolarHBondContact O-N 3.42Å; I58-G61 VanDerWaalsContact O-N 3.08Å; I58-V68 HydrophobicContact CD1-CG1 3.99Å; I58-V68 HydrophobicContact CG1-CB 4.29Å; I58-V68 HydrophobicContact CG1-CG1 3.82Å; I58-Q69 HydrophobicContact CD1-CB 4.25Å; I58-Q69 HydrophobicContact CG1-CB 4Å; I58-Q69 HydrophobicContact CG2-CB 3.94Å; I58-Q69 HydrophobicContact CG2-CG 4.01Å
59	A	93.3	Very high	94.7	Very high	88 Å²	88	51.5 Å²	51.5	73%	0.727	30%	0.298	S	S	*	.	H	α-helix	trans	-62.9	-22.1	-178.8	0	0	0	0	0	113.5	R55 A56 G61	R55-A59 WeakPolarHBondContact O-CB 3.41Å; R55-A59 PolarHBondContact O-N 3.09Å; A56-A59 PolarHBondContact O-N 3.03Å; A59-G61 PolarHBondContact O-N 3.38Å
60	S	95.5	Very high	94.8	Very high	76 Å²	76	59.1 Å²	59.1	53%	0.531	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.6	174.9	76.8	0	0	0	0	114.1	A56 I57 I58 S62	A56-S60 PolarHBondContact O-N 3.05Å; A56-S60 VanDerWaalsContact O-N 3.08Å; I57-S60 WeakPolarHBondContact O-CB 3.31Å; I57-S60 PolarHBondContact O-N 3.16Å; I57-S60 PolarHBondContact O-OG 3.48Å; I58-S60 PolarHBondContact O-N 3.4Å; I58-S60 VanDerWaalsContact O-N 3.16Å; S60-S62 PolarHBondContact O-N 2.92Å; S60-S62 WeakPolarHBondContact OG-CB 3.49Å; S60-S62 PolarHBondContact OG-N 2.93Å; S60-S62 PolarHBondContact OG-OG 3.14Å
61	G	94.7	Very high	94.8	Very high	46 Å²	46	61.9 Å²	61.9	47%	0.474	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	2.5	-176.3	0	0	0	0	0	115.2	I58 A59 Q66	I58-G61 PolarHBondContact O-N 3.42Å; I58-G61 VanDerWaalsContact O-N 3.08Å; A59-G61 PolarHBondContact O-N 3.38Å; G61-Q66 PolarHBondContact O-NE2 3.47Å
62	S	97	Very high	94.9	Very high	47 Å²	47	62.6 Å²	62.6	33%	0.329	35%	0.346	S	S	.	.			trans	-60.4	160.2	178.8	62.5	0	0	0	0	112.9	S60 L64 G65 Q66	S60-S62 PolarHBondContact O-N 2.92Å; S60-S62 WeakPolarHBondContact OG-CB 3.49Å; S60-S62 PolarHBondContact OG-N 2.93Å; S60-S62 PolarHBondContact OG-OG 3.14Å; S62-L64 PolarHBondContact O-N 3.37Å; S62-G65 CarbonylContact O-C 3.56Å; S62-G65 WeakPolarHBondContact O-CA 3.25Å; S62-G65 PolarHBondContact O-N 2.94Å; S62-G65 PolarHBondContact OG-N 3.16Å; S62-G65 VanDerWaalsContact OG-N 3.09Å; S62-Q66 WeakPolarHBondContact O-CG 3.49Å; S62-Q66 PolarHBondContact O-N 3.21Å
63	E	96.9	Very high	94.9	Very high	129 Å²	129	63.1 Å²	63.1	60%	0.603	35%	0.347	S	S	*	.	H	α-helix	trans	-56.7	-40.1	175.5	-166.5	-164.5	151.5	0	0	111.8	Q66 K67	E63-Q66 PolarHBondContact O-N 2.85Å; E63-K67 WeakPolarHBondContact O-CG 3.33Å; E63-K67 PolarHBondContact O-N 2.81Å; E63-K67 VanDerWaalsContact O-N 3.15Å; E63-K67 VanDerWaalsContact OE1-CE 3.27Å; E63-K67 WeakPolarHBondContact OE1-CE 3.41Å; E63-K67 IonicContact OE1-NZ 2.65Å; E63-K67 PolarHBondContact OE1-NZ 3.46Å
64	L	94.9	Very high	94.8	Very high	73 Å²	73	64.5 Å²	64.5	38%	0.382	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-43.9	172.2	179.2	62.1	0	0	0	111.2	I57 S62 Q66 K67 V68 I82	I57-L64 HydrophobicContact CG2-CD2 4.21Å; I57-L64 HydrophobicContact CG2-CG 4.1Å; S62-L64 PolarHBondContact O-N 3.37Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 2.79Å; L64-K67 PolarHBondContact O-N 2.85Å; L64-V68 HydrophobicContact CD1-CG2 4.11Å; L64-V68 HydrophobicContact CG-CG2 4.31Å; L64-V68 WeakPolarHBondContact O-CB 3.39Å; L64-V68 VanDerWaalsContact O-CG2 3.3Å; L64-V68 WeakPolarHBondContact O-CG2 3.28Å; L64-V68 PolarHBondContact O-N 3.34Å; L64-I82 HydrophobicContact CD1-CD1 4.15Å
65	G	96.8	Very high	94.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-55.1	-45.5	174.8	0	0	0	0	0	113.2	I57 S62 V68 Q69	I57-G65 WeakPolarHBondContact O-CA 3.33Å; S62-G65 CarbonylContact O-C 3.56Å; S62-G65 WeakPolarHBondContact O-CA 3.25Å; S62-G65 PolarHBondContact O-N 2.94Å; S62-G65 PolarHBondContact OG-N 3.16Å; S62-G65 VanDerWaalsContact OG-N 3.09Å; G65-V68 PolarHBondContact O-N 2.84Å; G65-Q69 WeakPolarHBondContact O-CB 3.45Å; G65-Q69 PolarHBondContact O-N 2.95Å
66	Q	96.8	Very high	94.8	Very high	121 Å²	121	61.2 Å²	61.2	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-64.6	-41.4	177.9	-64.8	173.2	18.9	0	0	112.1	G61 S62 E63 L64 Q69 K70	G61-Q66 PolarHBondContact O-NE2 3.47Å; S62-Q66 WeakPolarHBondContact O-CG 3.49Å; S62-Q66 PolarHBondContact O-N 3.21Å; E63-Q66 PolarHBondContact O-N 2.85Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 2.79Å; Q66-Q69 PolarHBondContact O-N 3.27Å; Q66-K70 PolarHBondContact O-N 2.99Å
67	K	96.1	Very high	94.9	Very high	119 Å²	119	60.4 Å²	60.4	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-46.4	175.2	-69.9	174.2	-173.4	168.7	0	111.3	E63 L64 Q69 K70 I71	E63-K67 WeakPolarHBondContact O-CG 3.33Å; E63-K67 PolarHBondContact O-N 2.81Å; E63-K67 VanDerWaalsContact O-N 3.15Å; E63-K67 VanDerWaalsContact OE1-CE 3.27Å; E63-K67 WeakPolarHBondContact OE1-CE 3.41Å; E63-K67 IonicContact OE1-NZ 2.65Å; E63-K67 PolarHBondContact OE1-NZ 3.46Å; L64-K67 PolarHBondContact O-N 2.85Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 PolarHBondContact O-N 2.75Å; K67-K70 PolarHBondContact O-N 2.8Å; K67-I71 WeakPolarHBondContact O-CG1 3.44Å; K67-I71 PolarHBondContact O-N 2.87Å
68	V	96.4	Very high	94.9	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-40.7	177.4	168.4	0	0	0	0	111.1	L54 I58 L64 G65 I71 T72 V78	L54-V68 HydrophobicContact CB-CG1 4.14Å; L54-V68 HydrophobicContact CD2-CG1 3.94Å; L54-V68 HydrophobicContact CD2-CG2 4.44Å; I58-V68 HydrophobicContact CD1-CG1 3.99Å; I58-V68 HydrophobicContact CG1-CB 4.29Å; I58-V68 HydrophobicContact CG1-CG1 3.82Å; L64-V68 HydrophobicContact CD1-CG2 4.11Å; L64-V68 HydrophobicContact CG-CG2 4.31Å; L64-V68 WeakPolarHBondContact O-CB 3.39Å; L64-V68 VanDerWaalsContact O-CG2 3.3Å; L64-V68 WeakPolarHBondContact O-CG2 3.28Å; L64-V68 PolarHBondContact O-N 3.34Å; G65-V68 PolarHBondContact O-N 2.84Å; V68-I71 PolarHBondContact O-N 2.82Å; V68-T72 HydrophobicContact CG1-CG2 4.13Å; V68-T72 WeakPolarHBondContact O-CB 3.16Å; V68-T72 WeakPolarHBondContact O-CG2 3.38Å; V68-T72 PolarHBondContact O-N 3.19Å; V68-T72 PolarHBondContact O-OG1 2.94Å; V68-V78 HydrophobicContact CG1-CG2 3.95Å; V68-V78 HydrophobicContact CG2-CG1 4.31Å; V68-V78 HydrophobicContact CG2-CG2 4.28Å
69	Q	95.7	Very high	95	Very high	70 Å²	70	60.6 Å²	60.6	33%	0.327	34%	0.342	S	S	.	.	H	α-helix	trans	-57.8	-52.6	177.4	-174.9	174	7.8	0	0	111.1	I58 G65 Q66 K67 I71 T72 E73	I58-Q69 HydrophobicContact CD1-CB 4.25Å; I58-Q69 HydrophobicContact CG1-CB 4Å; I58-Q69 HydrophobicContact CG2-CB 3.94Å; I58-Q69 HydrophobicContact CG2-CG 4.01Å; G65-Q69 WeakPolarHBondContact O-CB 3.45Å; G65-Q69 PolarHBondContact O-N 2.95Å; Q66-Q69 PolarHBondContact O-N 3.27Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 PolarHBondContact O-N 2.75Å; Q69-I71 VanDerWaalsContact C-N 3.27Å; Q69-I71 PolarHBondContact O-N 2.88Å; Q69-T72 PolarHBondContact O-N 3.14Å; Q69-T72 PolarHBondContact O-OG1 3.09Å; Q69-E73 HydrophobicContact CG-CG 4.06Å; Q69-E73 VanDerWaalsContact CG-OE1 3.31Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.25Å; Q69-E73 PolarHBondContact NE2-OE1 3.08Å; Q69-E73 WeakPolarHBondContact O-CB 3.41Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 3.46Å
70	K	95.1	Very high	95.1	Very high	170 Å²	170	58.1 Å²	58.1	74%	0.739	32%	0.317	S	S	*	.	H	α-helix	trans	-57.5	-39.6	179.9	-173	177.4	-178.7	178.5	0	112.8	Q66 K67	Q66-K70 PolarHBondContact O-N 2.99Å; K67-K70 PolarHBondContact O-N 2.8Å
71	I	95.4	Very high	95.1	Very high	65 Å²	65	59.1 Å²	59.1	33%	0.333	32%	0.316	S	S	.	.	H	α-helix	trans	-67.1	-52	178.4	-66.2	166.5	0	0	0	110.4	K67 V68 Q69 S74 G76 L77 V78	K67-I71 WeakPolarHBondContact O-CG1 3.44Å; K67-I71 PolarHBondContact O-N 2.87Å; V68-I71 PolarHBondContact O-N 2.82Å; Q69-I71 VanDerWaalsContact C-N 3.27Å; Q69-I71 PolarHBondContact O-N 2.88Å; I71-S74 PolarHBondContact O-N 3.14Å; I71-S74 PolarHBondContact O-OG 3.49Å; I71-G76 PolarHBondContact O-N 2.86Å; I71-L77 WeakPolarHBondContact CG2-O 3.24Å; I71-V78 HydrophobicContact CG2-CG2 4.35Å
72	T	93.1	Very high	95.1	Very high	22 Å²	22	59.6 Å²	59.6	14%	0.135	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-36.9	-173.1	52.9	0	0	0	0	113	V68 Q69 S74 G75 V78	V68-T72 HydrophobicContact CG1-CG2 4.13Å; V68-T72 WeakPolarHBondContact O-CB 3.16Å; V68-T72 WeakPolarHBondContact O-CG2 3.38Å; V68-T72 PolarHBondContact O-N 3.19Å; V68-T72 PolarHBondContact O-OG1 2.94Å; Q69-T72 PolarHBondContact O-N 3.14Å; Q69-T72 PolarHBondContact O-OG1 3.09Å; T72-S74 PolarHBondContact O-N 2.95Å; T72-G75 WeakPolarHBondContact O-CA 3.43Å; T72-G75 PolarHBondContact O-N 3.16Å; T72-V78 HydrophobicContact CG2-CG2 3.95Å
73	E	92.1	Very high	95.1	Very high	67 Å²	67	57.8 Å²	57.8	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-29.1	174.8	-75.2	-177	171.6	0	0	112.7	Q69 G75 A186	Q69-E73 HydrophobicContact CG-CG 4.06Å; Q69-E73 VanDerWaalsContact CG-OE1 3.31Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.25Å; Q69-E73 PolarHBondContact NE2-OE1 3.08Å; Q69-E73 WeakPolarHBondContact O-CB 3.41Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 3.46Å; E73-G75 PolarHBondContact O-N 3.09Å; E73-A186 WeakPolarHBondContact O-CB 3.38Å
74	S	92	Very high	95.1	Very high	54 Å²	54	52.3 Å²	52.3	38%	0.378	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8	172.4	81.5	0	0	0	0	113.3	I71 T72 G76 K189	I71-S74 PolarHBondContact O-N 3.14Å; I71-S74 PolarHBondContact O-OG 3.49Å; T72-S74 PolarHBondContact O-N 2.95Å; S74-G76 PolarHBondContact OG-N 3.45Å; S74-K189 WeakPolarHBondContact O-CD 3.48Å; S74-K189 PolarHBondContact OG-NZ 3.18Å; S74-K189 VanDerWaalsContact OG-NZ 3.13Å
75	G	91.6	Very high	95.1	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	11.7	-171.3	0	0	0	0	0	114.8	T72 E73	T72-G75 WeakPolarHBondContact O-CA 3.43Å; T72-G75 PolarHBondContact O-N 3.16Å; E73-G75 PolarHBondContact O-N 3.09Å
76	G	94.2	Very high	95	Very high	11 Å²	11	54.9 Å²	54.9	11%	0.113	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-79.2	165.7	179.8	0	0	0	0	0	113.8	I71 S74	I71-G76 PolarHBondContact O-N 2.86Å; S74-G76 PolarHBondContact OG-N 3.45Å
77	L	94.9	Very high	95	Very high	46 Å²	46	49.1 Å²	49.1	24%	0.241	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-90.4	133.7	172.2	-60.7	-177.9	0	0	0	110.4	I71 R107 T108 E193	I71-L77 WeakPolarHBondContact CG2-O 3.24Å; L77-R107 HydrophobicContact CD1-CB 4.15Å; L77-R107 HydrophobicContact CD2-CB 4.25Å; L77-R107 VanDerWaalsContact CD2-CD 3.46Å; L77-T108 HydrophobicContact CD1-CG2 4.06Å; L77-E193 HydrophobicContact CD1-CB 4.48Å; L77-E193 HydrophobicContact CG-CB 4.42Å
78	V	96	Very high	95	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.036	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.9	147.8	165	-179.2	0	0	0	0	108.2	L54 V68 I71 T72 I82 V83	L54-V78 HydrophobicContact CD1-CB 4.31Å; L54-V78 HydrophobicContact CD1-CG2 3.84Å; L54-V78 HydrophobicContact CD2-CB 4.43Å; L54-V78 HydrophobicContact CD2-CG1 4.31Å; L54-V78 HydrophobicContact CD2-CG2 4.07Å; V68-V78 HydrophobicContact CG1-CG2 3.95Å; V68-V78 HydrophobicContact CG2-CG1 4.31Å; V68-V78 HydrophobicContact CG2-CG2 4.28Å; I71-V78 HydrophobicContact CG2-CG2 4.35Å; T72-V78 HydrophobicContact CG2-CG2 3.95Å; V78-I82 HydrophobicContact CG1-CB 3.95Å; V78-I82 HydrophobicContact CG1-CD1 4.21Å; V78-I82 HydrophobicContact CG1-CG2 3.8Å; V78-V83 HydrophobicContact CB-CG2 3.92Å; V78-V83 HydrophobicContact CG1-CG2 4.06Å
79	S	96.1	Very high	94.9	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-57.8	147.2	-174.8	61.6	0	0	0	0	112.8	D81 I82 V83	S79-D81 VanDerWaalsContact C-N 3.26Å; S79-D81 PolarHBondContact O-N 3.4Å; S79-I82 PolarHBondContact O-N 3.28Å; S79-I82 WeakPolarHBondContact OG-CD1 3.11Å; S79-I82 WeakPolarHBondContact OG-CG1 3.22Å; S79-V83 WeakPolarHBondContact O-CG2 3.31Å; S79-V83 PolarHBondContact O-N 2.72Å; S79-V83 VanDerWaalsContact O-N 3.11Å
80	D	96.7	Very high	94.8	Very high	37 Å²	37	52.8 Å²	52.8	20%	0.198	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-37.2	-176.6	-69.5	-13.1	0	0	0	112.2	V83 C84 T108 E110 Q111	D80-V83 PolarHBondContact O-N 3.25Å; D80-C84 WeakPolarHBondContact O-CB 3.46Å; D80-C84 PolarHBondContact O-N 3.37Å; D80-C84 PolarHBondContact O-SG 3.49Å; D80-T108 VanDerWaalsContact CG-OG1 3.24Å; D80-T108 WeakPolarHBondContact OD1-CG2 3.38Å; D80-T108 PolarHBondContact OD1-OG1 3.31Å; D80-T108 PolarHBondContact OD2-OG1 3.49Å; D80-E110 WeakPolarHBondContact OD2-CB 3.45Å; D80-Q111 HydrophobicContact CB-CG 4.08Å; D80-Q111 WeakPolarHBondContact OD1-CG 3.5Å; D80-Q111 PolarHBondContact OD1-NE2 3.35Å
81	D	95.4	Very high	94.8	Very high	97 Å²	97	45.1 Å²	45.1	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-51	178	-62.2	-29.1	0	0	0	111.8	S79 V83 C84 D85 K114	S79-D81 VanDerWaalsContact C-N 3.26Å; S79-D81 PolarHBondContact O-N 3.4Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 2.8Å; D81-C84 PolarHBondContact O-N 3.38Å; D81-D85 WeakPolarHBondContact O-CB 3.19Å; D81-D85 VanDerWaalsContact O-CG 3.25Å; D81-D85 PolarHBondContact O-N 3.11Å; D81-K114 IonicContact OD1-NZ 3.33Å; D81-K114 PolarHBondContact OD1-NZ 3.44Å
82	I	95	Very high	94.6	Very high	56 Å²	56	47.3 Å²	47.3	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-45.8	179.2	-66.5	172.7	0	0	0	110.2	L64 V78 S79 L86	L64-I82 HydrophobicContact CD1-CD1 4.15Å; V78-I82 HydrophobicContact CG1-CB 3.95Å; V78-I82 HydrophobicContact CG1-CD1 4.21Å; V78-I82 HydrophobicContact CG1-CG2 3.8Å; S79-I82 PolarHBondContact O-N 3.28Å; S79-I82 WeakPolarHBondContact OG-CD1 3.11Å; S79-I82 WeakPolarHBondContact OG-CG1 3.22Å; I82-L86 HydrophobicContact CG2-CD1 3.97Å; I82-L86 WeakPolarHBondContact O-CD1 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.47Å; I82-L86 PolarHBondContact O-N 3.07Å; I82-L86 VanDerWaalsContact O-N 3.1Å
83	V	96.6	Very high	94.6	Very high	8 Å²	8	48 Å²	48	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-41.8	-177.4	179.4	0	0	0	0	111.4	T50 V78 S79 D80 D81 L86 I87 F105	T50-V83 HydrophobicContact CG2-CG1 3.68Å; V78-V83 HydrophobicContact CB-CG2 3.92Å; V78-V83 HydrophobicContact CG1-CG2 4.06Å; S79-V83 WeakPolarHBondContact O-CG2 3.31Å; S79-V83 PolarHBondContact O-N 2.72Å; S79-V83 VanDerWaalsContact O-N 3.11Å; D80-V83 PolarHBondContact O-N 3.25Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 2.8Å; V83-L86 PolarHBondContact O-N 2.98Å; V83-I87 WeakPolarHBondContact O-CG1 3.26Å; V83-I87 PolarHBondContact O-N 3.05Å; V83-I87 VanDerWaalsContact O-N 3.07Å; V83-F105 HydrophobicContact CG1-CD2 3.55Å; V83-F105 HydrophobicContact CG1-CE2 3.73Å
84	C	96.5	Very high	94.6	Very high	14 Å²	14	49.6 Å²	49.6	10%	0.095	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-40.4	178.5	-68.1	0	0	0	0	111.7	D80 D81 L86 I87 A88 K114	D80-C84 WeakPolarHBondContact O-CB 3.46Å; D80-C84 PolarHBondContact O-N 3.37Å; D80-C84 PolarHBondContact O-SG 3.49Å; D81-C84 PolarHBondContact O-N 3.38Å; C84-L86 PolarHBondContact O-N 3.27Å; C84-I87 PolarHBondContact O-N 2.97Å; C84-A88 WeakPolarHBondContact O-CB 3.35Å; C84-A88 PolarHBondContact O-N 2.07Å; C84-K114 HydrophobicContact CB-CD 4.11Å; C84-K114 VanDerWaalsContact SG-CD 3.51Å
85	D	95.5	Very high	94.6	Very high	98 Å²	98	53.1 Å²	53.1	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-42.2	176.4	-72.9	-12.5	0	0	0	111.5	D81 I87 A88 Q89	D81-D85 WeakPolarHBondContact O-CB 3.19Å; D81-D85 VanDerWaalsContact O-CG 3.25Å; D81-D85 PolarHBondContact O-N 3.11Å; D85-I87 VanDerWaalsContact C-N 3.35Å; D85-I87 PolarHBondContact O-N 3.49Å; D85-A88 PolarHBondContact O-N 2.93Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.34Å; D85-Q89 PolarHBondContact O-N 3.08Å
86	L	95	Very high	94.7	Very high	29 Å²	29	53.2 Å²	53.2	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175.8	-71.9	169.7	0	0	0	112	I53 L54 I57 I82 V83 C84 K90	I53-L86 HydrophobicContact CG2-CB 4.25Å; I53-L86 HydrophobicContact CG2-CD1 4.01Å; I53-L86 HydrophobicContact CG2-CD2 4.14Å; I53-L86 HydrophobicContact CG2-CG 4.37Å; L54-L86 HydrophobicContact CD2-CD1 3.95Å; I57-L86 HydrophobicContact CD1-CD1 3.58Å; I57-L86 HydrophobicContact CD1-CD2 3.65Å; I57-L86 HydrophobicContact CD1-CG 4.28Å; I82-L86 HydrophobicContact CG2-CD1 3.97Å; I82-L86 WeakPolarHBondContact O-CD1 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.47Å; I82-L86 PolarHBondContact O-N 3.07Å; I82-L86 VanDerWaalsContact O-N 3.1Å; V83-L86 PolarHBondContact O-N 2.98Å; C84-L86 PolarHBondContact O-N 3.27Å; L86-K90 WeakPolarHBondContact O-CG 3.04Å; L86-K90 PolarHBondContact O-N 2.91Å
87	I	96.2	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-45.4	175.5	-69.6	-64.4	0	0	0	110.8	L48 T50 I53 V83 C84 D85 Q89 K90 I91 F102 F105 L118	L48-I87 HydrophobicContact CB-CD1 4.3Å; T50-I87 HydrophobicContact CG2-CD1 3.81Å; T50-I87 HydrophobicContact CG2-CG1 4.11Å; I53-I87 HydrophobicContact CD1-CD1 4.48Å; V83-I87 WeakPolarHBondContact O-CG1 3.26Å; V83-I87 PolarHBondContact O-N 3.05Å; V83-I87 VanDerWaalsContact O-N 3.07Å; C84-I87 PolarHBondContact O-N 2.97Å; D85-I87 VanDerWaalsContact C-N 3.35Å; D85-I87 PolarHBondContact O-N 3.49Å; I87-Q89 VanDerWaalsContact C-N 3.26Å; I87-Q89 PolarHBondContact O-N 2.85Å; I87-K90 PolarHBondContact O-N 2.8Å; I87-K90 VanDerWaalsContact O-N 3.17Å; I87-I91 WeakPolarHBondContact O-CB 3.42Å; I87-I91 PolarHBondContact O-N 3.31Å; I87-F102 HydrophobicContact CG2-CD1 4.41Å; I87-F102 HydrophobicContact CG2-CE1 3.83Å; I87-F105 HydrophobicContact CG1-CD1 4.16Å; I87-F105 HydrophobicContact CG1-CD2 4.32Å; I87-F105 HydrophobicContact CG1-CE1 4.17Å; I87-F105 HydrophobicContact CG1-CE2 4.34Å; I87-F105 HydrophobicContact CG1-CG 4.23Å; I87-F105 HydrophobicContact CG1-CZ 4.28Å; I87-F105 HydrophobicContact CG2-CE1 4.19Å; I87-L118 HydrophobicContact CG2-CD2 4Å
88	A	95.3	Very high	94.4	Very high	26 Å²	26	60.8 Å²	60.8	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-32.1	179.7	0	0	0	0	0	113.1	C84 D85 I91 L118	C84-A88 WeakPolarHBondContact O-CB 3.35Å; C84-A88 PolarHBondContact O-N 2.07Å; D85-A88 PolarHBondContact O-N 2.93Å; A88-I91 WeakPolarHBondContact O-CG2 3.3Å; A88-L118 HydrophobicContact CB-CD1 3.79Å; A88-L118 HydrophobicContact CB-CD2 4.28Å
89	Q	93.9	Very high	94.4	Very high	139 Å²	139	60.5 Å²	60.5	65%	0.65	32%	0.32	S	S	*	.	H	α-helix	trans	-72.2	-42.2	173.9	-71.6	173	39.1	0	0	112.3	D85 I87	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.34Å; D85-Q89 PolarHBondContact O-N 3.08Å; I87-Q89 VanDerWaalsContact C-N 3.26Å; I87-Q89 PolarHBondContact O-N 2.85Å
90	K	94.5	Very high	94.5	Very high	104 Å²	104	57.7 Å²	57.7	45%	0.452	30%	0.3	S	S	.	.	H	α-helix	trans	-78.6	-28.5	-175.6	-70.7	-68.7	-173.1	179.2	0	114	L48 I53 L86 I87 N92 S93	L48-K90 HydrophobicContact CD2-CB 3.74Å; I53-K90 HydrophobicContact CD1-CG 4.16Å; L86-K90 WeakPolarHBondContact O-CG 3.04Å; L86-K90 PolarHBondContact O-N 2.91Å; I87-K90 PolarHBondContact O-N 2.8Å; I87-K90 VanDerWaalsContact O-N 3.17Å; K90-N92 PolarHBondContact O-N 2.95Å; K90-N92 VanDerWaalsContact O-N 3.09Å; K90-S93 WeakPolarHBondContact O-CB 3.33Å; K90-S93 PolarHBondContact O-N 3.39Å; K90-S93 PolarHBondContact O-OG 3.47Å
91	I	95	Very high	94.5	Very high	9 Å²	9	56 Å²	56	5%	0.046	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.5	-176.3	-158.7	172.9	0	0	0	113.4	I87 A88 C96 L100 F102 L118 L119 I124	I87-I91 WeakPolarHBondContact O-CB 3.42Å; I87-I91 PolarHBondContact O-N 3.31Å; A88-I91 WeakPolarHBondContact O-CG2 3.3Å; I91-C96 VanDerWaalsContact O-CB 3.26Å; I91-C96 WeakPolarHBondContact O-CB 3.43Å; I91-L100 HydrophobicContact CD1-CD1 3.59Å; I91-L100 HydrophobicContact CG1-CD1 3.56Å; I91-L100 HydrophobicContact CG1-CD2 3.87Å; I91-L100 HydrophobicContact CG1-CG 4.4Å; I91-F102 HydrophobicContact CD1-CZ 4.18Å; I91-L118 HydrophobicContact CD1-CD2 3.92Å; I91-L118 HydrophobicContact CD1-CG 4.41Å; I91-L118 HydrophobicContact CG2-CD2 4.46Å; I91-L119 HydrophobicContact CD1-CD2 3.78Å; I91-I124 HydrophobicContact CD1-CD1 4.36Å
92	N	90.2	Very high	94.7	Very high	111 Å²	111	51.3 Å²	51.3	59%	0.594	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.8	-179.3	-65	-23.5	0	0	0	113.2	K90 R122	K90-N92 PolarHBondContact O-N 2.95Å; K90-N92 VanDerWaalsContact O-N 3.09Å; N92-R122 PolarHBondContact OD1-NE 3.36Å
93	S	93.2	Very high	94.8	Very high	36 Å²	36	49.4 Å²	49.4	25%	0.252	26%	0.257	S	S	.	.	S	Bend	trans	-67.3	148.5	-179.2	-54.9	0	0	0	0	111.5	K90 E95 C96	K90-S93 WeakPolarHBondContact O-CB 3.33Å; K90-S93 PolarHBondContact O-N 3.39Å; K90-S93 PolarHBondContact O-OG 3.47Å; S93-E95 WeakPolarHBondContact CB-OE2 3.43Å; S93-E95 PolarHBondContact O-N 2.95Å; S93-E95 VanDerWaalsContact O-N 3.08Å; S93-C96 WeakPolarHBondContact O-CB 3.01Å; S93-C96 PolarHBondContact O-N 3.41Å
94	P	92.8	Very high	94.6	Very high	101 Å²	101	49.6 Å²	49.6	66%	0.656	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-55.6	-28.8	-175.9	-27.5	36	0	0	0	114.9	C96 K97	P94-C96 PolarHBondContact O-N 3.05Å; P94-K97 WeakPolarHBondContact O-CB 3.25Å; P94-K97 WeakPolarHBondContact O-CD 3.47Å; P94-K97 VanDerWaalsContact O-CG 3.24Å; P94-K97 WeakPolarHBondContact O-CG 3.44Å; P94-K97 PolarHBondContact O-N 3.47Å
95	E	92	Very high	94.6	Very high	128 Å²	128	49 Å²	49	60%	0.598	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.6	-27.4	177.8	-56.6	79.7	-174.7	0	0	112	C46 S93 K97	C46-E95 WeakPolarHBondContact CB-O 3.12Å; S93-E95 WeakPolarHBondContact CB-OE2 3.43Å; S93-E95 PolarHBondContact O-N 2.95Å; S93-E95 VanDerWaalsContact O-N 3.08Å; E95-K97 VanDerWaalsContact C-N 3.3Å; E95-K97 PolarHBondContact O-N 2.84Å
96	C	94.9	Very high	94.8	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.02	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-84.2	4.2	-178	-78	0	0	0	0	114.4	R19 C46 I91 S93 P94 N98 L100	R19-C96 PolarHBondContact NH2-O 2.95Å; C46-C96 HydrophobicContact CB-CB 3.67Å; C46-C96 WeakPolarHBondContact CB-SG 3.05Å; C46-C96 VanDerWaalsContact SG-CA 3.51Å; C46-C96 WeakPolarHBondContact SG-CB 3.13Å; C46-C96 PolarHBondContact SG-N 2.91Å; C46-C96 CovalentContact SG-SG 2.07Å; C46-C96 PolarHBondContact SG-SG 2.76Å; I91-C96 VanDerWaalsContact O-CB 3.26Å; I91-C96 WeakPolarHBondContact O-CB 3.43Å; S93-C96 WeakPolarHBondContact O-CB 3.01Å; S93-C96 PolarHBondContact O-N 3.41Å; P94-C96 PolarHBondContact O-N 3.05Å; C96-N98 PolarHBondContact O-N 3.23Å; C96-L100 HydrophobicContact CB-CD2 3.52Å; C96-L100 WeakPolarHBondContact SG-CD2 3.44Å
97	K	90.8	Very high	94.9	Very high	150 Å²	150	47.8 Å²	47.8	65%	0.652	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-67.1	-34	179.6	75.1	-175.5	-178.4	179.5	0	113.9	R19 P94 E95	R19-K97 PolarHBondContact NH1-O 3.37Å; P94-K97 WeakPolarHBondContact O-CB 3.25Å; P94-K97 WeakPolarHBondContact O-CD 3.47Å; P94-K97 VanDerWaalsContact O-CG 3.24Å; P94-K97 WeakPolarHBondContact O-CG 3.44Å; P94-K97 PolarHBondContact O-N 3.47Å; E95-K97 VanDerWaalsContact C-N 3.3Å; E95-K97 PolarHBondContact O-N 2.84Å
98	N	90.6	Very high	95	Very high	66 Å²	66	48.5 Å²	48.5	35%	0.353	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-89.7	-9.8	-172.6	-70.2	-21.4	0	0	0	113.2	N44 C96	N44-N98 PolarHBondContact ND2-ND2 3.16Å; N44-N98 VanDerWaalsContact ND2-ND2 3.16Å; N44-N98 WeakPolarHBondContact O-CB 3.44Å; C96-N98 PolarHBondContact O-N 3.23Å
99	G	96	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.4	171.8	-176.4	0	0	0	0	0	111.7	I20 C46	I20-G99 CarbonylContact O-C 3.6Å; I20-G99 VanDerWaalsContact O-CA 3.22Å; I20-G99 WeakPolarHBondContact O-CA 3.42Å; C46-G99 WeakPolarHBondContact CB-O 3.48Å; C46-G99 PolarHBondContact N-O 3.34Å
100	L	97.9	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140	-171.3	-60.8	167.2	0	0	0	110.5	R19 I20 D21 L22 C46 L48 I91 C96 F102 L119 I124	R19-L100 VanDerWaalsContact NH2-CD1 3.35Å; I20-L100 PolarHBondContact O-N 2.86Å; I20-L100 VanDerWaalsContact O-N 3.09Å; D21-L100 CarbonylContact C-O 3.53Å; D21-L100 VanDerWaalsContact CA-O 3.25Å; D21-L100 WeakPolarHBondContact CA-O 3.37Å; D21-L100 HydrophobicContact CB-CB 4.32Å; D21-L100 WeakPolarHBondContact OD1-CB 3.48Å; D21-L100 VanDerWaalsContact OD1-CD1 3.31Å; D21-L100 WeakPolarHBondContact OD1-CD1 3.43Å; D21-L100 WeakPolarHBondContact OD1-CG 3.29Å; D21-L100 PolarHBondContact OD1-N 2.94Å; L22-L100 PolarHBondContact N-O 3.04Å; C46-L100 HydrophobicContact CB-CD2 4.27Å; L48-L100 HydrophobicContact CD1-CD2 3.85Å; I91-L100 HydrophobicContact CD1-CD1 3.59Å; I91-L100 HydrophobicContact CG1-CD1 3.56Å; I91-L100 HydrophobicContact CG1-CD2 3.87Å; I91-L100 HydrophobicContact CG1-CG 4.4Å; C96-L100 HydrophobicContact CB-CD2 3.52Å; C96-L100 WeakPolarHBondContact SG-CD2 3.44Å; L100-F102 HydrophobicContact CB-CD2 4.4Å; L100-F102 HydrophobicContact CB-CE2 3.75Å; L100-F102 HydrophobicContact CB-CZ 4Å; L100-F102 HydrophobicContact CD1-CE2 4.07Å; L100-F102 HydrophobicContact CD1-CZ 3.74Å; L100-F102 HydrophobicContact CG-CZ 4.38Å; L100-L119 HydrophobicContact CD1-CD2 3.95Å; L100-I124 HydrophobicContact CD1-CD1 4.04Å; L100-I124 HydrophobicContact CD1-CG2 4.39Å
101	L	98.3	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	104.9	170.3	-178	64.6	0	0	0	108.9	L22 L24 A36 I39 A40 I45 C46 L48 D103	L22-L101 HydrophobicContact CB-CD1 3.66Å; L22-L101 HydrophobicContact CD1-CD1 4.36Å; L22-L101 WeakPolarHBondContact O-CA 3.5Å; L24-L101 HydrophobicContact CD1-CD1 4.06Å; L24-L101 HydrophobicContact CD1-CD2 4.44Å; L24-L101 HydrophobicContact CD1-CG 4.35Å; L24-L101 HydrophobicContact CD2-CD1 3.8Å; L24-L101 HydrophobicContact CG-CD1 3.74Å; L24-L101 HydrophobicContact CG-CG 4.42Å; A36-L101 HydrophobicContact CB-CD2 3.84Å; A36-L101 WeakPolarHBondContact O-CD2 3.5Å; I39-L101 HydrophobicContact CB-CD2 3.89Å; I39-L101 HydrophobicContact CG2-CD1 4.07Å; I39-L101 HydrophobicContact CG2-CD2 3.8Å; A40-L101 HydrophobicContact CB-CD2 4.23Å; I45-L101 HydrophobicContact CD1-CB 3.92Å; I45-L101 HydrophobicContact CG1-CB 4.28Å; C46-L101 PolarHBondContact O-N 3.2Å; L48-L101 PolarHBondContact N-O 2.78Å; L101-D103 PolarHBondContact O-N 2.79Å
102	F	98.4	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.4	177.4	-58.8	-82	0	0	0	109.8	L22 V23 L24 L48 I87 I91 L100 F105 L115 L119	L22-F102 WeakPolarHBondContact O-CD2 3.3Å; L22-F102 PolarHBondContact O-N 3.23Å; V23-F102 HydrophobicContact CG2-CB 4.02Å; V23-F102 HydrophobicContact CG2-CD2 3.82Å; V23-F102 HydrophobicContact CG2-CG 4.25Å; L24-F102 PolarHBondContact N-O 2.84Å; L48-F102 HydrophobicContact CB-CD1 4.27Å; L48-F102 HydrophobicContact CD1-CD1 4.13Å; L48-F102 HydrophobicContact CD1-CE1 3.68Å; L48-F102 HydrophobicContact CD1-CZ 4.37Å; I87-F102 HydrophobicContact CG2-CD1 4.41Å; I87-F102 HydrophobicContact CG2-CE1 3.83Å; I91-F102 HydrophobicContact CD1-CZ 4.18Å; L100-F102 HydrophobicContact CB-CD2 4.4Å; L100-F102 HydrophobicContact CB-CE2 3.75Å; L100-F102 HydrophobicContact CB-CZ 4Å; L100-F102 HydrophobicContact CD1-CE2 4.07Å; L100-F102 HydrophobicContact CD1-CZ 3.74Å; L100-F102 HydrophobicContact CG-CZ 4.38Å; F102-F105 WeakPolarHBondContact CB-O 3.38Å; F102-F105 HydrophobicContact CD1-CD1 4.06Å; F102-L115 HydrophobicContact CD1-CD1 4.24Å; F102-L115 HydrophobicContact CD1-CD2 4.48Å; F102-L115 HydrophobicContact CD2-CD1 4.44Å; F102-L115 HydrophobicContact CD2-CD2 4.14Å; F102-L115 HydrophobicContact CE1-CD1 3.65Å; F102-L115 HydrophobicContact CE2-CD1 3.89Å; F102-L115 HydrophobicContact CE2-CD2 4.32Å; F102-L115 HydrophobicContact CG-CD2 4.22Å; F102-L115 HydrophobicContact CZ-CD1 3.44Å; F102-L115 VanDerWaalsContact CZ-CD1 3.44Å; F102-L119 HydrophobicContact CE2-CD1 4.38Å; F102-L119 HydrophobicContact CE2-CD2 4.26Å; F102-L119 HydrophobicContact CZ-CD2 4.02Å
103	D	96.6	Very high	96	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.4	178.5	178.5	23.2	0	0	0	110.6	L24 A36 H47 L48 S49 T50 L101 F105	L24-D103 HydrophobicContact CD1-CB 4.43Å; A36-D103 HydrophobicContact CB-CB 4.25Å; H47-D103 IonicContact CE1-OD2 3.8Å; H47-D103 VanDerWaalsContact NE2-CB 3.28Å; H47-D103 WeakPolarHBondContact NE2-CB 3.22Å; H47-D103 IonicContact NE2-OD2 2.72Å; H47-D103 PolarHBondContact NE2-OD2 3Å; H47-D103 VanDerWaalsContact NE2-OD2 3.09Å; L48-D103 PolarHBondContact O-N 2.65Å; S49-D103 WeakPolarHBondContact CA-O 3.48Å; T50-D103 PolarHBondContact N-O 3.2Å; T50-D103 VanDerWaalsContact N-O 3.15Å; T50-D103 PolarHBondContact OG1-O 3.41Å; L101-D103 PolarHBondContact O-N 2.79Å; D103-F105 PolarHBondContact O-N 2.91Å
104	G	93.1	Very high	96.3	Very high	12 Å²	12	42.4 Å²	42.4	12%	0.124	21%	0.207	C	C	.	.	S	Bend	trans	71.2	19.7	-175.1	0	0	0	0	0	113.7	T50 R107	T50-G104 PolarHBondContact OG1-O 3.1Å; G104-R107 VanDerWaalsContact O-CG 3.27Å; G104-R107 WeakPolarHBondContact O-CG 3.42Å; G104-R107 PolarHBondContact O-NE 2.88Å
105	F	97.2	Very high	96.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	18%	0.176	C	C	.	.			trans	-147.7	133.2	174.1	-177	-99.2	0	0	0	109.7	T50 V83 I87 F102 D103 Q111 L115	T50-F105 HydrophobicContact CG2-CB 3.57Å; T50-F105 HydrophobicContact CG2-CD2 4.11Å; T50-F105 HydrophobicContact CG2-CG 4.1Å; V83-F105 HydrophobicContact CG1-CD2 3.55Å; V83-F105 HydrophobicContact CG1-CE2 3.73Å; I87-F105 HydrophobicContact CG1-CD1 4.16Å; I87-F105 HydrophobicContact CG1-CD2 4.32Å; I87-F105 HydrophobicContact CG1-CE1 4.17Å; I87-F105 HydrophobicContact CG1-CE2 4.34Å; I87-F105 HydrophobicContact CG1-CG 4.23Å; I87-F105 HydrophobicContact CG1-CZ 4.28Å; I87-F105 HydrophobicContact CG2-CE1 4.19Å; F102-F105 WeakPolarHBondContact CB-O 3.38Å; F102-F105 HydrophobicContact CD1-CD1 4.06Å; D103-F105 PolarHBondContact O-N 2.91Å; F105-Q111 HydrophobicContact CD2-CB 4.19Å; F105-Q111 HydrophobicContact CD2-CG 4.24Å; F105-Q111 VanDerWaalsContact CD2-OE1 3.27Å; F105-Q111 HydrophobicContact CE2-CB 3.58Å; F105-Q111 HydrophobicContact CE2-CG 3.63Å; F105-Q111 HydrophobicContact CZ-CB 4.01Å; F105-Q111 HydrophobicContact CZ-CG 4.43Å; F105-L115 HydrophobicContact CD1-CD2 4.01Å; F105-L115 HydrophobicContact CE1-CB 3.73Å; F105-L115 HydrophobicContact CE1-CD1 3.99Å; F105-L115 HydrophobicContact CE1-CD2 3.86Å; F105-L115 HydrophobicContact CE1-CG 4.05Å; F105-L115 HydrophobicContact CZ-CB 4.31Å
106	P	98.1	Very high	96.8	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.052	15%	0.154	C	C	.	.			cis	-77.6	158	-0.5	34.3	-36	0	0	0	113.1	Q111 A112 I201 Y205	P106-Q111 HydrophobicContact CB-CB 3.55Å; P106-A112 HydrophobicContact CB-CB 3.91Å; P106-A112 HydrophobicContact CG-CB 3.7Å; P106-I201 HydrophobicContact CG-CG2 3.9Å; P106-Y205 HydrophobicContact CG-CE2 3.94Å; P106-Y205 WeakPolarHBondContact CG-OH 3.34Å
107	R	97.4	Very high	96.9	Very high	94 Å²	94	36.1 Å²	36.1	36%	0.355	17%	0.172	S	C	.	.			trans	-118.9	-7.7	170.4	-62.2	-172.3	-174.3	-169.9	4.5	113.5	L77 G104 N197 I201	L77-R107 HydrophobicContact CD1-CB 4.15Å; L77-R107 HydrophobicContact CD2-CB 4.25Å; L77-R107 VanDerWaalsContact CD2-CD 3.46Å; G104-R107 VanDerWaalsContact O-CG 3.27Å; G104-R107 WeakPolarHBondContact O-CG 3.42Å; G104-R107 PolarHBondContact O-NE 2.88Å; R107-N197 WeakPolarHBondContact O-CB 3.45Å; R107-I201 VanDerWaalsContact C-CD1 3.45Å
108	T	98.1	Very high	97.2	Very high	15 Å²	15	30.3 Å²	30.3	9%	0.092	15%	0.148	C	C	.	.	S	Bend	trans	-131.1	159.6	171.8	73.2	0	0	0	0	109.1	L77 D80 E110 Q111 A112	L77-T108 HydrophobicContact CD1-CG2 4.06Å; D80-T108 VanDerWaalsContact CG-OG1 3.24Å; D80-T108 WeakPolarHBondContact OD1-CG2 3.38Å; D80-T108 PolarHBondContact OD1-OG1 3.31Å; D80-T108 PolarHBondContact OD2-OG1 3.49Å; T108-E110 PolarHBondContact O-N 3.16Å; T108-E110 PolarHBondContact OG1-N 2.9Å; T108-Q111 PolarHBondContact O-N 3.38Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.3Å; T108-Q111 PolarHBondContact OG1-N 2.92Å; T108-Q111 VanDerWaalsContact OG1-N 3.08Å; T108-A112 PolarHBondContact O-N 3.31Å; T108-A112 VanDerWaalsContact O-N 3.13Å
109	I	98	Very high	97.5	Very high	54 Å²	54	27.2 Å²	27.2	28%	0.277	13%	0.131	S	C	.	.	H	α-helix	trans	-62.6	-32.3	174.2	-175.3	56.4	0	0	0	112.1	A112 K113 P200 F204	I109-A112 HydrophobicContact CD1-CB 4.41Å; I109-A112 WeakPolarHBondContact O-CB 3.36Å; I109-A112 PolarHBondContact O-N 3.09Å; I109-K113 WeakPolarHBondContact O-CG 3.28Å; I109-K113 PolarHBondContact O-N 3.1Å; I109-P200 HydrophobicContact CB-CB 4.08Å; I109-P200 HydrophobicContact CD1-CB 4.47Å; I109-P200 HydrophobicContact CG1-CB 4.33Å; I109-F204 HydrophobicContact CD1-CB 3.66Å; I109-F204 HydrophobicContact CD1-CD2 4.16Å; I109-F204 HydrophobicContact CD1-CG 3.93Å
110	E	98.1	Very high	97.5	Very high	81 Å²	81	34 Å²	34	38%	0.379	16%	0.157	S	C	.	.	H	α-helix	trans	-67.5	-42.7	177.8	-174.7	56.4	-150.3	0	0	111.1	D80 T108 A112 K113 K114	D80-E110 WeakPolarHBondContact OD2-CB 3.45Å; T108-E110 PolarHBondContact O-N 3.16Å; T108-E110 PolarHBondContact OG1-N 2.9Å; E110-A112 VanDerWaalsContact C-N 3.28Å; E110-A112 PolarHBondContact O-N 3.46Å; E110-K113 PolarHBondContact O-N 3.31Å; E110-K114 HydrophobicContact CG-CD 4.41Å; E110-K114 WeakPolarHBondContact O-CB 3.32Å; E110-K114 WeakPolarHBondContact O-CG 3.48Å; E110-K114 PolarHBondContact O-N 3.46Å; E110-K114 VanDerWaalsContact OE1-CE 3.25Å; E110-K114 WeakPolarHBondContact OE1-CE 3.48Å
111	Q	98.4	Very high	97.4	Very high	4 Å²	4	40 Å²	40	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-40.9	170.6	-71.3	177.8	13.4	0	0	112	D80 F105 P106 T108 K114 L115	D80-Q111 HydrophobicContact CB-CG 4.08Å; D80-Q111 WeakPolarHBondContact OD1-CG 3.5Å; D80-Q111 PolarHBondContact OD1-NE2 3.35Å; F105-Q111 HydrophobicContact CD2-CB 4.19Å; F105-Q111 HydrophobicContact CD2-CG 4.24Å; F105-Q111 VanDerWaalsContact CD2-OE1 3.27Å; F105-Q111 HydrophobicContact CE2-CB 3.58Å; F105-Q111 HydrophobicContact CE2-CG 3.63Å; F105-Q111 HydrophobicContact CZ-CB 4.01Å; F105-Q111 HydrophobicContact CZ-CG 4.43Å; P106-Q111 HydrophobicContact CB-CB 3.55Å; T108-Q111 PolarHBondContact O-N 3.38Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.3Å; T108-Q111 PolarHBondContact OG1-N 2.92Å; T108-Q111 VanDerWaalsContact OG1-N 3.08Å; Q111-K114 PolarHBondContact O-N 2.87Å; Q111-L115 VanDerWaalsContact O-CB 3.31Å; Q111-L115 WeakPolarHBondContact O-CB 3.48Å; Q111-L115 PolarHBondContact O-N 3.09Å
112	A	98.5	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-42.5	179.7	0	0	0	0	0	112.1	P106 T108 I109 E110 L115 D116 I201 F204 Y205	P106-A112 HydrophobicContact CB-CB 3.91Å; P106-A112 HydrophobicContact CG-CB 3.7Å; T108-A112 PolarHBondContact O-N 3.31Å; T108-A112 VanDerWaalsContact O-N 3.13Å; I109-A112 HydrophobicContact CD1-CB 4.41Å; I109-A112 WeakPolarHBondContact O-CB 3.36Å; I109-A112 PolarHBondContact O-N 3.09Å; E110-A112 VanDerWaalsContact C-N 3.28Å; E110-A112 PolarHBondContact O-N 3.46Å; A112-L115 PolarHBondContact O-N 2.95Å; A112-D116 PolarHBondContact O-N 2.82Å; A112-I201 HydrophobicContact CB-CG2 4.46Å; A112-F204 HydrophobicContact CB-CD1 3.85Å; A112-F204 HydrophobicContact CB-CE1 4.05Å; A112-Y205 HydrophobicContact CB-CE2 4.43Å
113	K	98.3	Very high	96.9	Very high	99 Å²	99	52.9 Å²	52.9	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-45.8	175.8	-70.6	174.8	178.4	177.9	0	112.2	I109 E110 L115 D116 N117 F204	I109-K113 WeakPolarHBondContact O-CG 3.28Å; I109-K113 PolarHBondContact O-N 3.1Å; E110-K113 PolarHBondContact O-N 3.31Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 PolarHBondContact O-N 2.88Å; K113-D116 PolarHBondContact O-N 3.42Å; K113-N117 PolarHBondContact O-N 2.93Å; K113-F204 HydrophobicContact CG-CE2 4.1Å; K113-F204 HydrophobicContact CG-CZ 4.35Å
114	K	97.8	Very high	96.8	Very high	59 Å²	59	53.2 Å²	53.2	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-40.2	176.7	-74.6	-177.5	176.3	-174.9	0	111.5	D81 C84 E110 Q111 N117 L118	D81-K114 IonicContact OD1-NZ 3.33Å; D81-K114 PolarHBondContact OD1-NZ 3.44Å; C84-K114 HydrophobicContact CB-CD 4.11Å; C84-K114 VanDerWaalsContact SG-CD 3.51Å; E110-K114 HydrophobicContact CG-CD 4.41Å; E110-K114 WeakPolarHBondContact O-CB 3.32Å; E110-K114 WeakPolarHBondContact O-CG 3.48Å; E110-K114 PolarHBondContact O-N 3.46Å; E110-K114 VanDerWaalsContact OE1-CE 3.25Å; E110-K114 WeakPolarHBondContact OE1-CE 3.48Å; Q111-K114 PolarHBondContact O-N 2.87Å; K114-N117 PolarHBondContact O-N 3.06Å; K114-L118 VanDerWaalsContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CB 3.34Å; K114-L118 PolarHBondContact O-N 2.95Å
115	L	98.1	Very high	96.8	Very high	1 Å²	1	58 Å²	58	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-49	173.6	179	55	0	0	0	111.5	V23 F102 F105 Q111 A112 K113 N117 L118 L119	V23-L115 HydrophobicContact CG2-CD2 3.73Å; F102-L115 HydrophobicContact CD1-CD1 4.24Å; F102-L115 HydrophobicContact CD1-CD2 4.48Å; F102-L115 HydrophobicContact CD2-CD1 4.44Å; F102-L115 HydrophobicContact CD2-CD2 4.14Å; F102-L115 HydrophobicContact CE1-CD1 3.65Å; F102-L115 HydrophobicContact CE2-CD1 3.89Å; F102-L115 HydrophobicContact CE2-CD2 4.32Å; F102-L115 HydrophobicContact CG-CD2 4.22Å; F102-L115 HydrophobicContact CZ-CD1 3.44Å; F102-L115 VanDerWaalsContact CZ-CD1 3.44Å; F105-L115 HydrophobicContact CD1-CD2 4.01Å; F105-L115 HydrophobicContact CE1-CB 3.73Å; F105-L115 HydrophobicContact CE1-CD1 3.99Å; F105-L115 HydrophobicContact CE1-CD2 3.86Å; F105-L115 HydrophobicContact CE1-CG 4.05Å; F105-L115 HydrophobicContact CZ-CB 4.31Å; Q111-L115 VanDerWaalsContact O-CB 3.31Å; Q111-L115 WeakPolarHBondContact O-CB 3.48Å; Q111-L115 PolarHBondContact O-N 3.09Å; A112-L115 PolarHBondContact O-N 2.95Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 PolarHBondContact O-N 2.88Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 2.92Å; L115-L118 WeakPolarHBondContact O-CB 3.31Å; L115-L118 PolarHBondContact O-N 3.03Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-L119 HydrophobicContact CD1-CD1 3.96Å; L115-L119 HydrophobicContact CD1-CD2 4.17Å; L115-L119 HydrophobicContact CD1-CG 3.8Å; L115-L119 HydrophobicContact CG-CD1 4.07Å; L115-L119 HydrophobicContact CG-CG 4.3Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 3.05Å
116	D	97.6	Very high	96.8	Very high	24 Å²	24	58 Å²	58	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-41	-179	-164.6	75.6	0	0	0	111.9	A112 K113 L119 R120 F204 K210	A112-D116 PolarHBondContact O-N 2.82Å; K113-D116 PolarHBondContact O-N 3.42Å; D116-L119 PolarHBondContact O-N 2.8Å; D116-R120 VanDerWaalsContact O-CB 3.32Å; D116-R120 WeakPolarHBondContact O-CB 3.38Å; D116-R120 PolarHBondContact O-N 3.32Å; D116-R120 IonicContact OD2-CZ 3.36Å; D116-R120 IonicContact OD2-NH2 3.61Å; D116-R120 PolarHBondContact OD2-NH2 2.87Å; D116-F204 HydrophobicContact CB-CE1 4.29Å; D116-F204 HydrophobicContact CB-CZ 4.01Å; D116-K210 IonicContact OD1-NZ 2.68Å
117	N	97.7	Very high	96.7	Very high	74 Å²	74	57.9 Å²	57.9	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-47.9	172.6	-68.3	-20.9	0	0	0	111.8	K113 K114 L115 L119 R120 D121	K113-N117 PolarHBondContact O-N 2.93Å; K114-N117 PolarHBondContact O-N 3.06Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 2.92Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 PolarHBondContact O-N 2.65Å; N117-R120 PolarHBondContact O-N 3.19Å; N117-R120 VanDerWaalsContact O-N 3.14Å; N117-R120 PolarHBondContact OD1-NH1 3.37Å; N117-D121 VanDerWaalsContact O-CG 3.22Å; N117-D121 PolarHBondContact O-N 2.76Å
118	L	96.7	Very high	96.8	Very high	28 Å²	28	53.4 Å²	53.4	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-40.4	179.5	-173.9	78.1	0	0	0	112.6	I87 A88 I91 K114 L115 R122	I87-L118 HydrophobicContact CG2-CD2 4Å; A88-L118 HydrophobicContact CB-CD1 3.79Å; A88-L118 HydrophobicContact CB-CD2 4.28Å; I91-L118 HydrophobicContact CD1-CD2 3.92Å; I91-L118 HydrophobicContact CD1-CG 4.41Å; I91-L118 HydrophobicContact CG2-CD2 4.46Å; K114-L118 VanDerWaalsContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CB 3.34Å; K114-L118 PolarHBondContact O-N 2.95Å; L115-L118 WeakPolarHBondContact O-CB 3.31Å; L115-L118 PolarHBondContact O-N 3.03Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L118-R122 PolarHBondContact O-NH1 2.93Å; L118-R122 VanDerWaalsContact O-NH1 3.1Å
119	L	96.5	Very high	96.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-70.5	-43.4	176.4	-66.4	-177.9	0	0	0	111.2	I91 L100 F102 L115 D116 N117 D121 R122 Q123 I124 L126	I91-L119 HydrophobicContact CD1-CD2 3.78Å; L100-L119 HydrophobicContact CD1-CD2 3.95Å; F102-L119 HydrophobicContact CE2-CD1 4.38Å; F102-L119 HydrophobicContact CE2-CD2 4.26Å; F102-L119 HydrophobicContact CZ-CD2 4.02Å; L115-L119 HydrophobicContact CD1-CD1 3.96Å; L115-L119 HydrophobicContact CD1-CD2 4.17Å; L115-L119 HydrophobicContact CD1-CG 3.8Å; L115-L119 HydrophobicContact CG-CD1 4.07Å; L115-L119 HydrophobicContact CG-CG 4.3Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 3.05Å; D116-L119 PolarHBondContact O-N 2.8Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 PolarHBondContact O-N 2.65Å; L119-D121 PolarHBondContact O-N 2.86Å; L119-R122 CarbonylContact O-C 3.54Å; L119-R122 PolarHBondContact O-N 3.48Å; L119-R122 VanDerWaalsContact O-N 3.08Å; L119-Q123 PolarHBondContact O-N 3.32Å; L119-Q123 VanDerWaalsContact O-N 3.09Å; L119-I124 HydrophobicContact CB-CB 4.21Å; L119-I124 HydrophobicContact CD2-CB 3.97Å; L119-I124 HydrophobicContact CD2-CD1 4.15Å; L119-I124 HydrophobicContact CD2-CG2 3.8Å; L119-I124 PolarHBondContact O-N 2.67Å; L119-L126 HydrophobicContact CD1-CB 3.95Å; L119-L126 HydrophobicContact CD1-CD1 4.18Å
120	R	96	Very high	96.8	Very high	141 Å²	141	50.1 Å²	50.1	53%	0.532	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-44.7	177.7	-168	-174.3	-55	122.1	2.5	112.1	D116 N117 R122 Q123	D116-R120 VanDerWaalsContact O-CB 3.32Å; D116-R120 WeakPolarHBondContact O-CB 3.38Å; D116-R120 PolarHBondContact O-N 3.32Å; D116-R120 IonicContact OD2-CZ 3.36Å; D116-R120 IonicContact OD2-NH2 3.61Å; D116-R120 PolarHBondContact OD2-NH2 2.87Å; N117-R120 PolarHBondContact O-N 3.19Å; N117-R120 VanDerWaalsContact O-N 3.14Å; N117-R120 PolarHBondContact OD1-NH1 3.37Å; R120-R122 PolarHBondContact O-N 3.2Å; R120-R122 VanDerWaalsContact O-N 3.14Å; R120-Q123 PolarHBondContact O-N 2.91Å
121	D	96.2	Very high	96.8	Very high	127 Å²	127	46.9 Å²	46.9	68%	0.679	22%	0.216	S	C	*	.	H	α-helix	trans	-61.2	-23.1	177.9	-65.8	-16.1	0	0	0	112.6	N117 L119	N117-D121 VanDerWaalsContact O-CG 3.22Å; N117-D121 PolarHBondContact O-N 2.76Å; L119-D121 PolarHBondContact O-N 2.86Å
122	R	93.9	Very high	96.8	Very high	81 Å²	81	46.8 Å²	46.8	31%	0.306	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	5.5	177.1	-71.1	170.5	178.5	67.5	-3.8	113.5	N92 L118 L119 R120 I124	N92-R122 PolarHBondContact OD1-NE 3.36Å; L118-R122 PolarHBondContact O-NH1 2.93Å; L118-R122 VanDerWaalsContact O-NH1 3.1Å; L119-R122 CarbonylContact O-C 3.54Å; L119-R122 PolarHBondContact O-N 3.48Å; L119-R122 VanDerWaalsContact O-N 3.08Å; R120-R122 PolarHBondContact O-N 3.2Å; R120-R122 VanDerWaalsContact O-N 3.14Å; R122-I124 HydrophobicContact CB-CD1 3.62Å; R122-I124 HydrophobicContact CB-CG1 3.84Å; R122-I124 HydrophobicContact CG-CD1 4.47Å; R122-I124 PolarHBondContact O-N 3.16Å
123	Q	93.5	Very high	96.7	Very high	189 Å²	189	51.2 Å²	51.2	88%	0.883	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	32.4	-174.8	-54.1	179.6	-48.4	0	0	112.8	L119 R120	L119-Q123 PolarHBondContact O-N 3.32Å; L119-Q123 VanDerWaalsContact O-N 3.09Å; R120-Q123 PolarHBondContact O-N 2.91Å
124	I	94.1	Very high	96.4	Very high	22 Å²	22	47.6 Å²	47.6	11%	0.113	22%	0.22	C	C	.	.			trans	-92.6	127.5	176.6	-62.6	166.5	0	0	0	108.5	D21 I91 L100 L119 R122	D21-I124 HydrophobicContact CB-CG2 4.11Å; D21-I124 VanDerWaalsContact CG-CG2 3.4Å; D21-I124 VanDerWaalsContact OD2-CG2 3.27Å; D21-I124 WeakPolarHBondContact OD2-CG2 3.49Å; I91-I124 HydrophobicContact CD1-CD1 4.36Å; L100-I124 HydrophobicContact CD1-CD1 4.04Å; L100-I124 HydrophobicContact CD1-CG2 4.39Å; L119-I124 HydrophobicContact CB-CB 4.21Å; L119-I124 HydrophobicContact CD2-CB 3.97Å; L119-I124 HydrophobicContact CD2-CD1 4.15Å; L119-I124 HydrophobicContact CD2-CG2 3.8Å; L119-I124 PolarHBondContact O-N 2.67Å; R122-I124 HydrophobicContact CB-CD1 3.62Å; R122-I124 HydrophobicContact CB-CG1 3.84Å; R122-I124 HydrophobicContact CG-CD1 4.47Å; R122-I124 PolarHBondContact O-N 3.16Å
125	H	92.9	Very high	95.9	Very high	112 Å²	112	48.4 Å²	48.4	52%	0.519	23%	0.227	S	C	.	.			trans	-95.1	121.3	175.2	-173.4	75.9	0	0	0	110.6	L127 E238	H125-L127 PolarHBondContact O-N 3.42Å; H125-E238 IonicContact CD2-OE1 3.48Å; H125-E238 PolarHBondContact CD2-OE1 3.26Å; H125-E238 IonicContact NE2-OE1 3.8Å; H125-E238 PolarHBondContact NE2-OE1 2.68Å
126	L	96.8	Very high	95.2	Very high	3 Å²	3	53 Å²	53	2%	0.016	26%	0.257	C	S	.	.			trans	-76.7	112.6	172.3	-172.4	74.4	0	0	0	110.1	D21 V23 L119 Y205 K210	D21-L126 HydrophobicContact CB-CD1 4.25Å; D21-L126 WeakPolarHBondContact O-CD1 3.43Å; V23-L126 HydrophobicContact CB-CD2 4.46Å; V23-L126 HydrophobicContact CG2-CD1 3.79Å; V23-L126 HydrophobicContact CG2-CD2 3.84Å; V23-L126 HydrophobicContact CG2-CG 4.47Å; L119-L126 HydrophobicContact CD1-CB 3.95Å; L119-L126 HydrophobicContact CD1-CD1 4.18Å; L126-Y205 HydrophobicContact CD2-CD1 4.09Å; L126-Y205 HydrophobicContact CD2-CE1 3.5Å; L126-Y205 VanDerWaalsContact CD2-CE1 3.5Å; L126-K210 HydrophobicContact CB-CD 4.36Å; L126-K210 HydrophobicContact CD2-CD 4.32Å; L126-K210 WeakPolarHBondContact O-CD 3.49Å; L126-K210 VanDerWaalsContact O-CE 3.28Å; L126-K210 WeakPolarHBondContact O-CE 3.46Å
127	L	97	Very high	94.6	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.276	C	S	.	.			trans	-64.5	-50.1	-178.8	177.8	68	0	0	0	111.8	I20 D21 L22 H125 V231 K234 L235 E238	I20-L127 HydrophobicContact CG2-CD2 4.13Å; D21-L127 WeakPolarHBondContact O-CB 3.37Å; D21-L127 PolarHBondContact O-N 3.36Å; L22-L127 HydrophobicContact CD2-CB 4.32Å; L22-L127 HydrophobicContact CD2-CD2 4.18Å; L22-L127 HydrophobicContact CD2-CG 4.47Å; H125-L127 PolarHBondContact O-N 3.42Å; L127-V231 HydrophobicContact CD2-CG1 4.13Å; L127-K234 HydrophobicContact CD1-CB 4.04Å; L127-K234 HydrophobicContact CD1-CG 3.56Å; L127-K234 HydrophobicContact CG-CB 4.3Å; L127-K234 HydrophobicContact CG-CG 3.89Å; L127-L235 HydrophobicContact CD1-CD2 3.93Å; L127-L235 HydrophobicContact CD1-CG 4.23Å; L127-L235 HydrophobicContact CD2-CD2 3.86Å; L127-L235 HydrophobicContact CD2-CG 3.85Å; L127-E238 HydrophobicContact CD1-CG 4.42Å; L127-E238 VanDerWaalsContact CD1-OE1 3.22Å; L127-E238 WeakPolarHBondContact CD1-OE1 3.15Å
128	A	98	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	154.7	-178.3	0	0	0	0	0	113.9	L22 V23 L130 K210 L212	L22-A128 WeakPolarHBondContact CA-O 3.32Å; L22-A128 HydrophobicContact CD2-CB 3.84Å; V23-A128 PolarHBondContact N-O 3.44Å; A128-L130 HydrophobicContact CB-CD2 4.15Å; A128-K210 CarbonylContact C-O 3.55Å; A128-K210 VanDerWaalsContact CA-O 3.25Å; A128-K210 WeakPolarHBondContact CA-O 3.41Å; A128-K210 WeakPolarHBondContact CB-O 3.42Å; A128-L212 HydrophobicContact CB-CD1 3.73Å; A128-L212 HydrophobicContact CB-CG 4.1Å
129	A	98.6	Very high	93.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.8	161.3	0	0	0	0	0	109.1	V23 I25 Y205 K210 L211 L212	V23-A129 HydrophobicContact CB-CB 4.19Å; V23-A129 HydrophobicContact CG1-CB 4.32Å; V23-A129 CarbonylContact O-C 3.43Å; V23-A129 WeakPolarHBondContact O-CA 3.25Å; I25-A129 HydrophobicContact CD1-CB 3.92Å; A129-Y205 HydrophobicContact CB-CD1 4Å; A129-Y205 HydrophobicContact CB-CD2 3.64Å; A129-Y205 HydrophobicContact CB-CE1 4.49Å; A129-Y205 HydrophobicContact CB-CE2 4.16Å; A129-Y205 HydrophobicContact CB-CG 3.54Å; A129-K210 PolarHBondContact N-O 3.03Å; A129-L211 HydrophobicContact CB-CD1 4.41Å; A129-L212 PolarHBondContact O-N 3.01Å
130	L	98.7	Very high	93	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104.1	-173.7	-62.7	-171.9	0	0	0	110.2	L22 V23 L24 I25 A128 F132 L212 I214 I227	L22-L130 HydrophobicContact CD1-CD1 4.26Å; L22-L130 HydrophobicContact CD2-CD1 4.44Å; L22-L130 HydrophobicContact CD2-CG 4.43Å; V23-L130 PolarHBondContact O-N 3.16Å; L24-L130 HydrophobicContact CD2-CB 3.88Å; L24-L130 HydrophobicContact CD2-CD1 3.8Å; L24-L130 HydrophobicContact CD2-CG 4.24Å; I25-L130 PolarHBondContact N-O 3.14Å; I25-L130 VanDerWaalsContact O-O 3.11Å; A128-L130 HydrophobicContact CB-CD2 4.15Å; L130-F132 HydrophobicContact CB-CE2 4.35Å; L130-L212 WeakPolarHBondContact CA-O 3.48Å; L130-L212 HydrophobicContact CD2-CB 3.9Å; L130-L212 HydrophobicContact CD2-CD1 4.04Å; L130-L212 HydrophobicContact CD2-CG 4.46Å; L130-I214 HydrophobicContact CB-CD1 3.66Å; L130-I214 HydrophobicContact CD1-CD1 4.23Å; L130-I214 HydrophobicContact CD2-CD1 4.32Å; L130-I214 HydrophobicContact CG-CD1 4.28Å; L130-I227 HydrophobicContact CD1-CG2 4Å
131	E	98.5	Very high	92.4	Very high	13 Å²	13	57.9 Å²	57.9	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117	177.6	-176.6	-169.2	-174.5	0	0	111.4	I25 K133 L202 L211 L212 R213 I214	I25-E131 CarbonylContact O-C 3.02Å; I25-E131 WeakPolarHBondContact O-CA 3.39Å; E131-K133 HydrophobicContact CG-CG 4.13Å; E131-K133 PolarHBondContact O-N 3.14Å; E131-K133 WeakPolarHBondContact OE1-CE 3.36Å; E131-K133 IonicContact OE1-NZ 3.53Å; E131-K133 WeakPolarHBondContact OE2-CE 3.5Å; E131-K133 IonicContact OE2-NZ 2.82Å; E131-L202 HydrophobicContact CB-CD2 4.03Å; E131-L202 HydrophobicContact CG-CD2 3.8Å; E131-L202 VanDerWaalsContact OE1-CD1 3.29Å; E131-L202 WeakPolarHBondContact OE1-CD1 3.45Å; E131-L211 HydrophobicContact CB-CD1 3.99Å; E131-L212 PolarHBondContact N-O 3.11Å; E131-R213 HydrophobicContact CB-CG 4.36Å; E131-R213 WeakPolarHBondContact OE2-CD 3.49Å; E131-R213 WeakPolarHBondContact OE2-CG 3.18Å; E131-R213 IonicContact OE2-CZ 2.92Å; E131-R213 IonicContact OE2-NE 3.91Å; E131-R213 PolarHBondContact OE2-NE 3.08Å; E131-I214 PolarHBondContact O-N 3.27Å
132	F	97.8	Very high	92	Very high	2 Å²	2	54 Å²	54	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.1	175.3	-77.1	-117	0	0	0	110.3	L24 I25 S30 K32 Q35 L130 I214 A216 V223 I227	L24-F132 HydrophobicContact CD2-CE2 4.11Å; I25-F132 PolarHBondContact O-N 2.72Å; S30-F132 WeakPolarHBondContact O-CD1 3.34Å; K32-F132 HydrophobicContact CD-CD2 4.34Å; K32-F132 HydrophobicContact CG-CB 4.26Å; K32-F132 HydrophobicContact CG-CD1 4.08Å; K32-F132 HydrophobicContact CG-CD2 3.64Å; K32-F132 HydrophobicContact CG-CE1 4.34Å; K32-F132 HydrophobicContact CG-CE2 3.97Å; K32-F132 HydrophobicContact CG-CG 3.73Å; K32-F132 HydrophobicContact CG-CZ 4.3Å; Q35-F132 HydrophobicContact CB-CE1 3.97Å; Q35-F132 HydrophobicContact CB-CZ 3.73Å; Q35-F132 HydrophobicContact CG-CE1 3.52Å; Q35-F132 HydrophobicContact CG-CZ 3.76Å; L130-F132 HydrophobicContact CB-CE2 4.35Å; F132-I214 HydrophobicContact CD2-CD1 4.03Å; F132-I214 HydrophobicContact CE2-CD1 3.66Å; F132-I214 HydrophobicContact CZ-CD1 4.13Å; F132-A216 HydrophobicContact CB-CB 4.1Å; F132-A216 HydrophobicContact CD1-CB 3.79Å; F132-A216 HydrophobicContact CG-CB 4.38Å; F132-V223 HydrophobicContact CE1-CG1 4.16Å; F132-I227 HydrophobicContact CE1-CD1 4.34Å; F132-I227 HydrophobicContact CZ-CD1 3.73Å
133	K	95.4	Very high	91.7	Very high	94 Å²	94	50.2 Å²	50.2	41%	0.409	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.7	176.4	-65.5	-164.2	171.7	-168.9	0	111.4	E131 I214 A216	E131-K133 HydrophobicContact CG-CG 4.13Å; E131-K133 PolarHBondContact O-N 3.14Å; E131-K133 WeakPolarHBondContact OE1-CE 3.36Å; E131-K133 IonicContact OE1-NZ 3.53Å; E131-K133 WeakPolarHBondContact OE2-CE 3.5Å; E131-K133 IonicContact OE2-NZ 2.82Å; K133-I214 PolarHBondContact N-O 3.4Å; K133-A216 WeakPolarHBondContact O-CA 3.16Å; K133-A216 WeakPolarHBondContact O-CB 3.44Å; K133-A216 PolarHBondContact O-N 3.22Å
134	L	91.6	Very high	91.3	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.115	22%	0.223	C	C	.	.			trans	-154.4	164.4	174.7	69.3	176.4	0	0	0	110.8	P27 S30 P136 I138 L139 A216 N217	P27-L134 HydrophobicContact CG-CD2 3.67Å; S30-L134 VanDerWaalsContact CB-CD2 3.47Å; L134-P136 WeakPolarHBondContact O-CD 3.33Å; L134-I138 HydrophobicContact CB-CD1 4.38Å; L134-I138 HydrophobicContact CD1-CD1 4Å; L134-I138 HydrophobicContact CD1-CG1 4.19Å; L134-L139 HydrophobicContact CD1-CD2 3.44Å; L134-L139 VanDerWaalsContact CD1-CD2 3.44Å; L134-L139 HydrophobicContact CD2-CD2 3.86Å; L134-L139 HydrophobicContact CG-CD2 3.66Å; L134-A216 HydrophobicContact CB-CB 4.2Å; L134-N217 WeakPolarHBondContact CA-OD1 3.46Å; L134-N217 WeakPolarHBondContact CB-OD1 3.37Å
135	D	88.6	Confident	91.1	Very high	77 Å²	77	42.6 Å²	42.6	41%	0.412	22%	0.22	S	C	.	.			trans	-61.1	125.9	173.7	-175.3	-9.2	0	0	0	110.4	S137 I138 N217	D135-S137 PolarHBondContact O-N 3Å; D135-S137 VanDerWaalsContact OD1-CB 3.31Å; D135-S137 WeakPolarHBondContact OD1-CB 3.31Å; D135-S137 PolarHBondContact OD1-N 3.37Å; D135-S137 PolarHBondContact OD1-OG 3.16Å; D135-S137 PolarHBondContact OD2-OG 2.84Å; D135-I138 HydrophobicContact CB-CG1 4.4Å; D135-I138 WeakPolarHBondContact O-CG1 3.43Å; D135-I138 PolarHBondContact O-N 3.35Å; D135-N217 PolarHBondContact N-OD1 3.36Å
136	P	83.7	Confident	91.1	Very high	98 Å²	98	38.9 Å²	38.9	64%	0.636	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-54.8	-30	172.1	-27	36.4	0	0	0	114	L134 I138 L139	L134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-I138 PolarHBondContact O-N 3.2Å; P136-I138 VanDerWaalsContact O-N 3.16Å; P136-L139 HydrophobicContact CB-CD1 4.42Å; P136-L139 WeakPolarHBondContact O-CB 3.11Å; P136-L139 WeakPolarHBondContact O-CG 3.42Å; P136-L139 PolarHBondContact O-N 2.68Å; P136-L139 VanDerWaalsContact O-N 3.08Å
137	S	83.6	Confident	91	Very high	77 Å²	77	39 Å²	39	54%	0.538	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-62.4	-24.2	-176.1	80.1	0	0	0	0	113.7	D135	D135-S137 PolarHBondContact O-N 3Å; D135-S137 VanDerWaalsContact OD1-CB 3.31Å; D135-S137 WeakPolarHBondContact OD1-CB 3.31Å; D135-S137 PolarHBondContact OD1-N 3.37Å; D135-S137 PolarHBondContact OD1-OG 3.16Å; D135-S137 PolarHBondContact OD2-OG 2.84Å
138	I	84.2	Confident	90.7	Very high	42 Å²	42	39.2 Å²	39.2	22%	0.215	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-92.5	-8.9	179.4	63.6	168.3	0	0	0	113.4	L134 D135 P136 R142	L134-I138 HydrophobicContact CB-CD1 4.38Å; L134-I138 HydrophobicContact CD1-CD1 4Å; L134-I138 HydrophobicContact CD1-CG1 4.19Å; D135-I138 HydrophobicContact CB-CG1 4.4Å; D135-I138 WeakPolarHBondContact O-CG1 3.43Å; D135-I138 PolarHBondContact O-N 3.35Å; P136-I138 PolarHBondContact O-N 3.2Å; P136-I138 VanDerWaalsContact O-N 3.16Å; I138-R142 WeakPolarHBondContact O-CB 3.4Å; I138-R142 VanDerWaalsContact O-CG 3.29Å; I138-R142 WeakPolarHBondContact O-CG 3.45Å; I138-R142 PolarHBondContact O-N 3.35Å; I138-R142 VanDerWaalsContact O-N 3.15Å
139	L	88.3	Confident	90.4	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-68.9	-44.5	-174.1	-62.8	-178.3	0	0	0	113.2	P27 P28 L134 P136 R142 I143 L191	P27-L139 HydrophobicContact CB-CD1 3.79Å; P27-L139 HydrophobicContact CG-CD1 3.73Å; P27-L139 HydrophobicContact CG-CD2 4.17Å; P28-L139 WeakPolarHBondContact O-CD2 3.31Å; L134-L139 HydrophobicContact CD1-CD2 3.44Å; L134-L139 VanDerWaalsContact CD1-CD2 3.44Å; L134-L139 HydrophobicContact CD2-CD2 3.86Å; L134-L139 HydrophobicContact CG-CD2 3.66Å; P136-L139 HydrophobicContact CB-CD1 4.42Å; P136-L139 WeakPolarHBondContact O-CB 3.11Å; P136-L139 WeakPolarHBondContact O-CG 3.42Å; P136-L139 PolarHBondContact O-N 2.68Å; P136-L139 VanDerWaalsContact O-N 3.08Å; L139-R142 PolarHBondContact O-N 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.07Å; L139-L191 HydrophobicContact CD1-CD2 3.58Å
140	E	84.5	Confident	89.9	Confident	102 Å²	102	46 Å²	46	48%	0.477	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-50	-179.8	-176.2	170.4	-168.5	0	0	111.2	R142 I143 C144 L187	E140-R142 VanDerWaalsContact C-N 3.26Å; E140-R142 PolarHBondContact O-N 3Å; E140-I143 PolarHBondContact O-N 2.87Å; E140-I143 VanDerWaalsContact O-N 3.15Å; E140-C144 PolarHBondContact O-N 3.16Å; E140-L187 HydrophobicContact CB-CD2 4.01Å; E140-L187 HydrophobicContact CG-CD2 4.09Å
141	K	85.3	Confident	89.3	Confident	146 Å²	146	50.3 Å²	50.3	64%	0.635	27%	0.274	S	S	*	.	H	α-helix	trans	-56.6	-40.6	175.6	-66.9	-177.1	-179.1	177.3	0	112.1	I143 H157 F160	K141-I143 VanDerWaalsContact C-N 3.31Å; K141-I143 PolarHBondContact O-N 2.91Å; K141-H157 PolarHBondContact O-CE1 3.03Å; K141-H157 PolarHBondContact O-NE2 3.02Å; K141-F160 HydrophobicContact CB-CE2 4.38Å; K141-F160 HydrophobicContact CB-CZ 4.49Å
142	R	87.8	Confident	88.6	Confident	46 Å²	46	51.9 Å²	51.9	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-22.1	-179	-81.3	-178	175.5	-170.9	1.2	114.6	G29 I138 L139 E140 H157 F160 A216	G29-R142 VanDerWaalsContact O-CD 3.3Å; G29-R142 WeakPolarHBondContact O-CD 3.46Å; I138-R142 WeakPolarHBondContact O-CB 3.4Å; I138-R142 VanDerWaalsContact O-CG 3.29Å; I138-R142 WeakPolarHBondContact O-CG 3.45Å; I138-R142 PolarHBondContact O-N 3.35Å; I138-R142 VanDerWaalsContact O-N 3.15Å; L139-R142 PolarHBondContact O-N 3.26Å; E140-R142 VanDerWaalsContact C-N 3.26Å; E140-R142 PolarHBondContact O-N 3Å; R142-H157 VanDerWaalsContact CA-NE2 3.26Å; R142-H157 WeakPolarHBondContact CA-NE2 3.27Å; R142-H157 PolarHBondContact O-CD2 3.15Å; R142-H157 PolarHBondContact O-NE2 2.78Å; R142-F160 HydrophobicContact CB-CE2 4.46Å; R142-F160 HydrophobicContact CG-CD2 3.84Å; R142-F160 HydrophobicContact CG-CE2 3.6Å; R142-F160 HydrophobicContact CG-CZ 4.26Å; R142-A216 PolarHBondContact NH1-O 2.9Å
143	I	86.4	Confident	88	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-98.2	-43.1	-173.8	-69.4	169.9	0	0	0	110.8	P28 G29 L139 E140 K141 G145 R146 D182 L187	P28-I143 VanDerWaalsContact C-CD1 3.43Å; P28-I143 HydrophobicContact CB-CD1 3.61Å; G29-I143 VanDerWaalsContact CA-CG1 3.44Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.07Å; E140-I143 PolarHBondContact O-N 2.87Å; E140-I143 VanDerWaalsContact O-N 3.15Å; K141-I143 VanDerWaalsContact C-N 3.31Å; K141-I143 PolarHBondContact O-N 2.91Å; I143-G145 VanDerWaalsContact C-N 3.29Å; I143-G145 PolarHBondContact O-N 3.44Å; I143-R146 WeakPolarHBondContact O-CB 3.42Å; I143-R146 PolarHBondContact O-N 2.74Å; I143-R146 VanDerWaalsContact O-N 3.16Å; I143-D182 HydrophobicContact CG2-CB 4.02Å; I143-D182 WeakPolarHBondContact CG2-OD1 3.45Å; I143-L187 HydrophobicContact CB-CD2 4.13Å; I143-L187 HydrophobicContact CD1-CD1 3.12Å; I143-L187 HydrophobicContact CD1-CD2 3.82Å; I143-L187 HydrophobicContact CD1-CG 4.08Å; I143-L187 HydrophobicContact CG1-CD1 4.44Å; I143-L187 HydrophobicContact CG2-CD1 4.44Å; I143-L187 HydrophobicContact CG2-CD2 4.31Å
144	C	85	Confident	87.6	Confident	47 Å²	47	51.8 Å²	51.8	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-33.7	-178.4	-65.8	0	0	0	0	112.4	E140 R146	E140-C144 PolarHBondContact O-N 3.16Å; C144-R146 VanDerWaalsContact C-N 3.31Å; C144-R146 PolarHBondContact O-N 2.74Å
145	G	90	Very high	87.6	Confident	4 Å²	4	51.9 Å²	51.9	4%	0.041	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	14.5	176.4	0	0	0	0	0	114.5	I143 H157 E158	I143-G145 VanDerWaalsContact C-N 3.29Å; I143-G145 PolarHBondContact O-N 3.44Å; G145-H157 CarbonylContact O-C 3.58Å; G145-H157 VanDerWaalsContact O-CA 3.24Å; G145-H157 WeakPolarHBondContact O-CA 3.26Å; G145-E158 WeakPolarHBondContact CA-OE2 3.31Å; G145-E158 WeakPolarHBondContact O-CG 3.29Å; G145-E158 PolarHBondContact O-N 3.48Å
146	R	92.8	Very high	87.7	Confident	35 Å²	35	48.9 Å²	48.9	13%	0.132	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.9	-173	-163.9	171	63	156.6	5.8	111.9	I143 C144 F148 H178 R179 D182	I143-R146 WeakPolarHBondContact O-CB 3.42Å; I143-R146 PolarHBondContact O-N 2.74Å; I143-R146 VanDerWaalsContact O-N 3.16Å; C144-R146 VanDerWaalsContact C-N 3.31Å; C144-R146 PolarHBondContact O-N 2.74Å; R146-F148 HydrophobicContact CB-CE2 4.26Å; R146-F148 HydrophobicContact CG-CD2 4.4Å; R146-F148 HydrophobicContact CG-CE2 3.45Å; R146-F148 VanDerWaalsContact CG-CE2 3.45Å; R146-F148 HydrophobicContact CG-CZ 3.53Å; R146-F148 VanDerWaalsContact CZ-CZ 3.43Å; R146-H178 PolarHBondContact O-ND1 3.32Å; R146-H178 VanDerWaalsContact O-ND1 3.16Å; R146-R179 VanDerWaalsContact NH2-NH1 3.2Å; R146-D182 IonicContact CZ-OD1 3.61Å; R146-D182 IonicContact CZ-OD2 2.68Å; R146-D182 IonicContact NE-OD1 3.49Å; R146-D182 IonicContact NE-OD2 2.92Å; R146-D182 PolarHBondContact NE-OD2 3.45Å; R146-D182 IonicContact NH2-OD1 3.3Å; R146-D182 PolarHBondContact NH2-OD1 2.85Å; R146-D182 IonicContact NH2-OD2 3.79Å; R146-D182 PolarHBondContact NH2-OD2 3.11Å
147	L	94.6	Very high	88.1	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.6	-177.8	-59	176.1	0	0	0	110.5	S155 Y156 E158 P163 M167 L176 H178	L147-S155 CarbonylContact O-C 3.58Å; L147-S155 VanDerWaalsContact O-CA 3.31Å; L147-S155 WeakPolarHBondContact O-CA 3.47Å; L147-S155 PolarHBondContact O-OG 2.85Å; L147-Y156 PolarHBondContact N-O 3.47Å; L147-Y156 PolarHBondContact O-N 2.88Å; L147-E158 HydrophobicContact CD1-CG 4.13Å; L147-E158 HydrophobicContact CG-CG 4.34Å; L147-P163 HydrophobicContact CD1-CG 4.41Å; L147-M167 HydrophobicContact CD1-SD 4Å; L147-M167 HydrophobicContact CD2-CE 4.18Å; L147-M167 HydrophobicContact CD2-SD 3.57Å; L147-M167 VanDerWaalsContact CD2-SD 3.57Å; L147-M167 HydrophobicContact CG-SD 4.43Å; L147-L176 HydrophobicContact CB-CB 4.29Å; L147-L176 HydrophobicContact CB-CD1 4.17Å; L147-L176 HydrophobicContact CD1-CD1 4.15Å; L147-H178 WeakPolarHBondContact CD2-CE1 3.38Å; L147-H178 WeakPolarHBondContact CD2-NE2 3.35Å
148	F	91.5	Very high	88.5	Confident	11 Å²	11	46 Å²	46	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.5	-178.3	-67.2	-82.5	0	0	0	112.9	R146 R154 S155 L176 V177 R179	R146-F148 HydrophobicContact CB-CE2 4.26Å; R146-F148 HydrophobicContact CG-CD2 4.4Å; R146-F148 HydrophobicContact CG-CE2 3.45Å; R146-F148 VanDerWaalsContact CG-CE2 3.45Å; R146-F148 HydrophobicContact CG-CZ 3.53Å; R146-F148 VanDerWaalsContact CZ-CZ 3.43Å; F148-R154 WeakPolarHBondContact CA-O 3.33Å; F148-S155 WeakPolarHBondContact CE1-OG 3.45Å; F148-L176 CarbonylContact O-C 3.54Å; F148-L176 WeakPolarHBondContact O-CA 3.33Å; F148-V177 PolarHBondContact N-O 3.3Å; F148-V177 PolarHBondContact O-N 3.03Å; F148-R179 HydrophobicContact CD2-CG 3.56Å; F148-R179 HydrophobicContact CE2-CG 3.65Å; F148-R179 VanDerWaalsContact CE2-CZ 3.47Å; F148-R179 HydrophobicContact CG-CG 4.43Å; F148-R179 VanDerWaalsContact CZ-NE 3.34Å
149	H	92.5	Very high	88.7	Confident	9 Å²	9	50.2 Å²	50.2	4%	0.042	27%	0.269	C	S	.	.			trans	-90.1	110.9	161.1	-179.7	-147.8	0	0	0	109.2	A151 S152 G153 R154 D169 T172 D174 L176	H149-A151 PolarHBondContact O-N 3.49Å; H149-S152 PolarHBondContact ND1-OG 3.36Å; H149-S152 PolarHBondContact O-N 3.05Å; H149-G153 PolarHBondContact O-N 3.13Å; H149-R154 HydrophobicContact CB-CB 4.42Å; H149-R154 PolarHBondContact N-O 3.25Å; H149-R154 PolarHBondContact ND1-NH2 3.44Å; H149-R154 VanDerWaalsContact ND1-NH2 3.14Å; H149-D169 HydrophobicContact CB-CB 4.11Å; H149-D169 IonicContact CG-OD1 3.4Å; H149-D169 IonicContact ND1-OD1 3.28Å; H149-D169 IonicContact ND1-OD2 3.21Å; H149-T172 PolarHBondContact CE1-OG1 3.31Å; H149-D174 IonicContact CE1-OD2 3.79Å; H149-D174 PolarHBondContact CE1-OD2 3.22Å; H149-D174 WeakPolarHBondContact NE2-CB 3.34Å; H149-D174 IonicContact NE2-OD2 3.97Å; H149-D174 PolarHBondContact NE2-OD2 3.14Å; H149-D174 VanDerWaalsContact NE2-OD2 3.16Å; H149-L176 HydrophobicContact CB-CD2 3.68Å
150	L	86.5	Confident	88.5	Confident	134 Å²	134	55.5 Å²	55.5	70%	0.702	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-41.1	-172	-69.8	177.6	0	0	0	113.9	V177	L150-V177 HydrophobicContact CD1-CG1 4.44Å; L150-V177 HydrophobicContact CD1-CG2 4.1Å; L150-V177 HydrophobicContact CD2-CG2 3.66Å; L150-V177 HydrophobicContact CG-CG2 3.68Å
151	A	85.7	Confident	88.6	Confident	90 Å²	90	54.5 Å²	54.5	74%	0.744	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-30.4	-174.1	0	0	0	0	0	113.1	H149	H149-A151 PolarHBondContact O-N 3.49Å
152	S	85.5	Confident	88.9	Confident	45 Å²	45	50.9 Å²	50.9	32%	0.315	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-15.4	-175	69.7	0	0	0	0	114.8	H149 R154	H149-S152 PolarHBondContact ND1-OG 3.36Å; H149-S152 PolarHBondContact O-N 3.05Å; S152-R154 VanDerWaalsContact CB-NH1 3.29Å; S152-R154 PolarHBondContact O-N 3.03Å; S152-R154 WeakPolarHBondContact OG-CB 3.19Å; S152-R154 WeakPolarHBondContact OG-CG 3.2Å; S152-R154 PolarHBondContact OG-N 3.46Å; S152-R154 PolarHBondContact OG-NE 2.93Å; S152-R154 PolarHBondContact OG-NH1 3.1Å; S152-R154 PolarHBondContact OG-NH2 3.23Å
153	G	83.5	Confident	89.3	Confident	27 Å²	27	49.5 Å²	49.5	28%	0.278	28%	0.278	S	S	.	.			trans	72.6	-3.2	-171	0	0	0	0	0	114.7	H149 S155	H149-G153 PolarHBondContact O-N 3.13Å; G153-S155 PolarHBondContact O-N 2.91Å
154	R	88.6	Confident	89.8	Confident	67 Å²	67	57.8 Å²	57.8	25%	0.253	31%	0.314	S	S	.	.			trans	-54.5	137.2	174.6	-75.4	-174.6	-67.4	-86.5	0.5	110.2	F148 H149 S152 Y156 D169	F148-R154 WeakPolarHBondContact CA-O 3.33Å; H149-R154 HydrophobicContact CB-CB 4.42Å; H149-R154 PolarHBondContact N-O 3.25Å; H149-R154 PolarHBondContact ND1-NH2 3.44Å; H149-R154 VanDerWaalsContact ND1-NH2 3.14Å; S152-R154 VanDerWaalsContact CB-NH1 3.29Å; S152-R154 PolarHBondContact O-N 3.03Å; S152-R154 WeakPolarHBondContact OG-CB 3.19Å; S152-R154 WeakPolarHBondContact OG-CG 3.2Å; S152-R154 PolarHBondContact OG-N 3.46Å; S152-R154 PolarHBondContact OG-NE 2.93Å; S152-R154 PolarHBondContact OG-NH1 3.1Å; S152-R154 PolarHBondContact OG-NH2 3.23Å; R154-Y156 HydrophobicContact CB-CE2 4.2Å; R154-D169 IonicContact CZ-OD1 3.4Å; R154-D169 IonicContact CZ-OD2 3.18Å; R154-D169 IonicContact NE-OD1 3.56Å; R154-D169 PolarHBondContact NE-OD1 2.67Å; R154-D169 IonicContact NE-OD2 3.4Å; R154-D169 PolarHBondContact NE-OD2 3.25Å; R154-D169 IonicContact NH2-OD1 2.67Å; R154-D169 PolarHBondContact NH2-OD1 3.28Å; R154-D169 IonicContact NH2-OD2 2.65Å; R154-D169 PolarHBondContact NH2-OD2 3.49Å
155	S	89.9	Confident	90.4	Very high	25 Å²	25	59.4 Å²	59.4	18%	0.175	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.9	-177.5	-172.7	0	0	0	0	110.7	L147 F148 G153	L147-S155 CarbonylContact O-C 3.58Å; L147-S155 VanDerWaalsContact O-CA 3.31Å; L147-S155 WeakPolarHBondContact O-CA 3.47Å; L147-S155 PolarHBondContact O-OG 2.85Å; F148-S155 WeakPolarHBondContact CE1-OG 3.45Å; G153-S155 PolarHBondContact O-N 2.91Å
156	Y	91.8	Very high	90.7	Very high	14 Å²	14	64.4 Å²	64.4	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	171.7	172.9	-56.8	-98.1	0	0	0	108.9	L147 R154 N161 P163 D169 D170 L176	L147-Y156 PolarHBondContact N-O 3.47Å; L147-Y156 PolarHBondContact O-N 2.88Å; R154-Y156 HydrophobicContact CB-CE2 4.2Å; Y156-N161 WeakPolarHBondContact CA-O 3.05Å; Y156-N161 WeakPolarHBondContact CB-O 3.24Å; Y156-P163 HydrophobicContact CD1-CB 3.84Å; Y156-P163 HydrophobicContact CE1-CB 4.19Å; Y156-P163 HydrophobicContact CG-CB 4.28Å; Y156-D169 HydrophobicContact CE2-CB 4.48Å; Y156-D169 VanDerWaalsContact CE2-OD1 3.25Å; Y156-D169 WeakPolarHBondContact CE2-OD1 3.33Å; Y156-D169 VanDerWaalsContact OH-CG 3.31Å; Y156-D169 PolarHBondContact OH-OD1 3.05Å; Y156-D170 HydrophobicContact CE1-CB 4.14Å; Y156-D170 WeakPolarHBondContact CE1-OD2 3.48Å; Y156-D170 PolarHBondContact OH-N 3.19Å; Y156-L176 HydrophobicContact CD2-CD1 3.55Å; Y156-L176 HydrophobicContact CD2-CD2 3.64Å; Y156-L176 HydrophobicContact CD2-CG 4.27Å; Y156-L176 HydrophobicContact CE2-CD1 4.09Å; Y156-L176 HydrophobicContact CE2-CD2 3.64Å; Y156-L176 HydrophobicContact CG-CD1 3.89Å
157	H	92.4	Very high	90.9	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.065	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.7	171.9	-171.4	-62.2	0	0	0	109.9	K141 R142 G145 L159 F160 N161 P162	K141-H157 PolarHBondContact O-CE1 3.03Å; K141-H157 PolarHBondContact O-NE2 3.02Å; R142-H157 VanDerWaalsContact CA-NE2 3.26Å; R142-H157 WeakPolarHBondContact CA-NE2 3.27Å; R142-H157 PolarHBondContact O-CD2 3.15Å; R142-H157 PolarHBondContact O-NE2 2.78Å; G145-H157 CarbonylContact O-C 3.58Å; G145-H157 VanDerWaalsContact O-CA 3.24Å; G145-H157 WeakPolarHBondContact O-CA 3.26Å; H157-L159 PolarHBondContact ND1-N 2.88Å; H157-L159 PolarHBondContact O-N 2.88Å; H157-F160 HydrophobicContact CB-CB 4.3Å; H157-F160 AromaticContact CD2-CD2 3.74Å; H157-F160 AromaticContact CE1-CD2 3.48Å; H157-F160 VanDerWaalsContact CE1-CD2 3.48Å; H157-F160 WeakPolarHBondContact CE1-CD2 3.29Å; H157-F160 AromaticContact CE1-CE2 3.78Å; H157-F160 AromaticContact CG-CD2 3.75Å; H157-F160 AromaticContact ND1-CD2 3.6Å; H157-F160 PolarHBondContact ND1-N 3.25Å; H157-F160 AromaticContact NE2-CD2 3.55Å; H157-F160 AromaticContact NE2-CE2 3.83Å; H157-N161 PolarHBondContact N-O 3.48Å; H157-N161 CarbonylContact O-C 3.6Å; H157-N161 PolarHBondContact O-N 3.22Å; H157-N161 VanDerWaalsContact O-O 3.12Å; H157-P162 WeakPolarHBondContact O-CA 3.3Å
158	E	91.9	Very high	91.1	Very high	100 Å²	100	67.6 Å²	67.6	47%	0.467	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-17.1	179.9	-67.3	175.2	164.6	0	0	116.1	G145 L147 H178	G145-E158 WeakPolarHBondContact CA-OE2 3.31Å; G145-E158 WeakPolarHBondContact O-CG 3.29Å; G145-E158 PolarHBondContact O-N 3.48Å; L147-E158 HydrophobicContact CD1-CG 4.13Å; L147-E158 HydrophobicContact CG-CG 4.34Å; E158-H178 IonicContact OE1-CE1 2.8Å; E158-H178 PolarHBondContact OE1-CE1 3.16Å; E158-H178 VanDerWaalsContact OE1-CE1 3.3Å; E158-H178 IonicContact OE1-NE2 3.91Å
159	L	87.6	Confident	91.3	Very high	131 Å²	131	67.1 Å²	67.1	69%	0.686	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	-50.7	-171.4	-62.2	177.4	0	0	0	111.6	H157	H157-L159 PolarHBondContact ND1-N 2.88Å; H157-L159 PolarHBondContact O-N 2.88Å
160	F	84.5	Confident	91.5	Very high	114 Å²	114	69.2 Å²	69.2	50%	0.5	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-25.1	-172.6	-59.5	-71.4	0	0	0	114.2	K141 R142 H157	K141-F160 HydrophobicContact CB-CE2 4.38Å; K141-F160 HydrophobicContact CB-CZ 4.49Å; R142-F160 HydrophobicContact CB-CE2 4.46Å; R142-F160 HydrophobicContact CG-CD2 3.84Å; R142-F160 HydrophobicContact CG-CE2 3.6Å; R142-F160 HydrophobicContact CG-CZ 4.26Å; H157-F160 HydrophobicContact CB-CB 4.3Å; H157-F160 AromaticContact CD2-CD2 3.74Å; H157-F160 AromaticContact CE1-CD2 3.48Å; H157-F160 VanDerWaalsContact CE1-CD2 3.48Å; H157-F160 WeakPolarHBondContact CE1-CD2 3.29Å; H157-F160 AromaticContact CE1-CE2 3.78Å; H157-F160 AromaticContact CG-CD2 3.75Å; H157-F160 AromaticContact ND1-CD2 3.6Å; H157-F160 PolarHBondContact ND1-N 3.25Å; H157-F160 AromaticContact NE2-CD2 3.55Å; H157-F160 AromaticContact NE2-CE2 3.83Å
161	N	86.3	Confident	91.9	Very high	81 Å²	81	68.8 Å²	68.8	43%	0.433	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-154.6	64.8	178.2	-174.1	45.3	0	0	0	108.9	Y156 H157	Y156-N161 WeakPolarHBondContact CA-O 3.05Å; Y156-N161 WeakPolarHBondContact CB-O 3.24Å; H157-N161 PolarHBondContact N-O 3.48Å; H157-N161 CarbonylContact O-C 3.6Å; H157-N161 PolarHBondContact O-N 3.22Å; H157-N161 VanDerWaalsContact O-O 3.12Å
162	P	92.5	Very high	92.4	Very high	71 Å²	71	67.9 Å²	67.9	46%	0.461	37%	0.366	S	S	.	.			trans	-67.2	145.4	-174.2	28.3	-34.5	0	0	0	110.4	H157	H157-P162 WeakPolarHBondContact O-CA 3.3Å
163	P	95.6	Very high	92.9	Very high	16 Å²	16	68.1 Å²	68.1	10%	0.104	38%	0.376	C	S	.	.			trans	-62.9	152.9	167.8	31.7	-35.8	0	0	0	109.7	L147 Y156 V165 V168 L176	L147-P163 HydrophobicContact CD1-CG 4.41Å; Y156-P163 HydrophobicContact CD1-CB 3.84Å; Y156-P163 HydrophobicContact CE1-CB 4.19Å; Y156-P163 HydrophobicContact CG-CB 4.28Å; P163-V165 WeakPolarHBondContact CB-O 3.47Å; P163-V165 VanDerWaalsContact CG-O 3.3Å; P163-V165 WeakPolarHBondContact CG-O 3.34Å; P163-V165 PolarHBondContact O-N 3.5Å; P163-V168 WeakPolarHBondContact CB-O 3.26Å; P163-L176 HydrophobicContact CB-CD1 3.91Å; P163-L176 HydrophobicContact CG-CD1 3.88Å
164	K	97	Very high	93.6	Very high	174 Å²	174	70.5 Å²	70.5	76%	0.757	38%	0.382	S	S	*	.	S	Bend	trans	-58.8	-37.1	176.7	-66.9	170.8	-174.9	172.2	0	111.7	D170	K164-D170 VanDerWaalsContact CB-OD1 3.3Å; K164-D170 WeakPolarHBondContact CB-OD1 3.43Å; K164-D170 HydrophobicContact CD-CB 4.39Å; K164-D170 WeakPolarHBondContact CG-OD1 3.4Å; K164-D170 PolarHBondContact N-OD1 3.15Å
165	V	97.4	Very high	94	Very high	81 Å²	81	76.7 Å²	76.7	49%	0.491	41%	0.406	S	S	.	.	S	Bend	trans	-117.8	129.5	173.5	177.6	0	0	0	0	108.1	P163 M167 V168	P163-V165 WeakPolarHBondContact CB-O 3.47Å; P163-V165 VanDerWaalsContact CG-O 3.3Å; P163-V165 WeakPolarHBondContact CG-O 3.34Å; P163-V165 PolarHBondContact O-N 3.5Å; V165-M167 PolarHBondContact O-N 3.29Å; V165-V168 HydrophobicContact CB-CB 4.01Å; V165-V168 HydrophobicContact CB-CG2 4.33Å; V165-V168 HydrophobicContact CG1-CB 4.1Å; V165-V168 HydrophobicContact CG1-CG2 3.85Å; V165-V168 PolarHBondContact O-N 3.49Å; V165-V168 VanDerWaalsContact O-N 3.14Å
166	P	96.9	Very high	94.3	Very high	110 Å²	110	75.5 Å²	75.5	71%	0.714	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.8	-178.6	-28.4	35.1	0	0	0	112.5	V168	P166-V168 PolarHBondContact O-N 2.85Å
167	M	97	Very high	94.4	Very high	61 Å²	61	76.9 Å²	76.9	30%	0.3	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	21	177.7	-59.8	-61.8	-75.9	0	0	115.8	L147 V165 R175 L176	L147-M167 HydrophobicContact CD1-SD 4Å; L147-M167 HydrophobicContact CD2-CE 4.18Å; L147-M167 HydrophobicContact CD2-SD 3.57Å; L147-M167 VanDerWaalsContact CD2-SD 3.57Å; L147-M167 HydrophobicContact CG-SD 4.43Å; V165-M167 PolarHBondContact O-N 3.29Å; M167-R175 WeakPolarHBondContact O-CA 3.36Å; M167-L176 WeakPolarHBondContact CE-O 3.45Å; M167-L176 PolarHBondContact O-N 2.9Å
168	V	97.8	Very high	94.4	Very high	45 Å²	45	80.3 Å²	80.3	27%	0.273	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-124.3	135.1	179.6	175.3	0	0	0	0	110.3	P163 V165 P166 D174	P163-V168 WeakPolarHBondContact CB-O 3.26Å; V165-V168 HydrophobicContact CB-CB 4.01Å; V165-V168 HydrophobicContact CB-CG2 4.33Å; V165-V168 HydrophobicContact CG1-CB 4.1Å; V165-V168 HydrophobicContact CG1-CG2 3.85Å; V165-V168 PolarHBondContact O-N 3.49Å; V165-V168 VanDerWaalsContact O-N 3.14Å; P166-V168 PolarHBondContact O-N 2.85Å; V168-D174 CarbonylContact C-O 3.52Å; V168-D174 WeakPolarHBondContact CA-O 3.3Å
169	D	97	Very high	94.2	Very high	1 Å²	1	77.6 Å²	77.6	1%	0.005	41%	0.408	C	S	.	.			trans	-69.5	129.2	174.2	-178.6	77.7	0	0	0	110.9	H149 R154 Y156 I171 T172 G173 D174 L176	H149-D169 HydrophobicContact CB-CB 4.11Å; H149-D169 IonicContact CG-OD1 3.4Å; H149-D169 IonicContact ND1-OD1 3.28Å; H149-D169 IonicContact ND1-OD2 3.21Å; R154-D169 IonicContact CZ-OD1 3.4Å; R154-D169 IonicContact CZ-OD2 3.18Å; R154-D169 IonicContact NE-OD1 3.56Å; R154-D169 PolarHBondContact NE-OD1 2.67Å; R154-D169 IonicContact NE-OD2 3.4Å; R154-D169 PolarHBondContact NE-OD2 3.25Å; R154-D169 IonicContact NH2-OD1 2.67Å; R154-D169 PolarHBondContact NH2-OD1 3.28Å; R154-D169 IonicContact NH2-OD2 2.65Å; R154-D169 PolarHBondContact NH2-OD2 3.49Å; Y156-D169 HydrophobicContact CE2-CB 4.48Å; Y156-D169 VanDerWaalsContact CE2-OD1 3.25Å; Y156-D169 WeakPolarHBondContact CE2-OD1 3.33Å; Y156-D169 VanDerWaalsContact OH-CG 3.31Å; Y156-D169 PolarHBondContact OH-OD1 3.05Å; D169-I171 PolarHBondContact O-N 3.48Å; D169-I171 VanDerWaalsContact O-N 3.11Å; D169-I171 WeakPolarHBondContact OD2-CB 3.38Å; D169-I171 PolarHBondContact OD2-N 3.17Å; D169-T172 PolarHBondContact OD2-N 3.18Å; D169-T172 PolarHBondContact OD2-OG1 2.98Å; D169-G173 WeakPolarHBondContact O-CA 3.46Å; D169-G173 PolarHBondContact O-N 3.3Å; D169-D174 PolarHBondContact N-O 2.87Å; D169-L176 HydrophobicContact CB-CD2 3.92Å
170	D	96.2	Very high	94.1	Very high	52 Å²	52	74.4 Å²	74.4	28%	0.278	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.2	-174.9	-73.1	-17.3	0	0	0	114.6	Y156 K164	Y156-D170 HydrophobicContact CE1-CB 4.14Å; Y156-D170 WeakPolarHBondContact CE1-OD2 3.48Å; Y156-D170 PolarHBondContact OH-N 3.19Å; K164-D170 VanDerWaalsContact CB-OD1 3.3Å; K164-D170 WeakPolarHBondContact CB-OD1 3.43Å; K164-D170 HydrophobicContact CD-CB 4.39Å; K164-D170 WeakPolarHBondContact CG-OD1 3.4Å; K164-D170 PolarHBondContact N-OD1 3.15Å
171	I	94.9	Very high	94.1	Very high	126 Å²	126	70 Å²	70	65%	0.646	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-47.5	-175.4	-54.9	-59.9	0	0	0	111.3	D169	D169-I171 PolarHBondContact O-N 3.48Å; D169-I171 VanDerWaalsContact O-N 3.11Å; D169-I171 WeakPolarHBondContact OD2-CB 3.38Å; D169-I171 PolarHBondContact OD2-N 3.17Å
172	T	96.8	Very high	94	Very high	70 Å²	70	66.9 Å²	66.9	43%	0.429	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-18.6	-175.5	60.8	0	0	0	0	113.6	H149 D169 D174	H149-T172 PolarHBondContact CE1-OG1 3.31Å; D169-T172 PolarHBondContact OD2-N 3.18Å; D169-T172 PolarHBondContact OD2-OG1 2.98Å; T172-D174 WeakPolarHBondContact CB-OD2 3.47Å; T172-D174 PolarHBondContact O-N 3.47Å; T172-D174 WeakPolarHBondContact OG1-CB 3.3Å; T172-D174 VanDerWaalsContact OG1-CG 3.28Å; T172-D174 PolarHBondContact OG1-N 3.29Å; T172-D174 PolarHBondContact OG1-OD2 2.83Å
173	G	96	Very high	93.6	Very high	50 Å²	50	68.5 Å²	68.5	52%	0.515	36%	0.362	S	S	.	.			trans	76.6	4.1	-172	0	0	0	0	0	113.9	D169	D169-G173 WeakPolarHBondContact O-CA 3.46Å; D169-G173 PolarHBondContact O-N 3.3Å
174	D	97.1	Very high	93.1	Very high	78 Å²	78	70.2 Å²	70.2	42%	0.417	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-72	158.2	178.8	-66.3	-45.7	0	0	0	112	H149 V168 D169 T172	H149-D174 IonicContact CE1-OD2 3.79Å; H149-D174 PolarHBondContact CE1-OD2 3.22Å; H149-D174 WeakPolarHBondContact NE2-CB 3.34Å; H149-D174 IonicContact NE2-OD2 3.97Å; H149-D174 PolarHBondContact NE2-OD2 3.14Å; H149-D174 VanDerWaalsContact NE2-OD2 3.16Å; V168-D174 CarbonylContact C-O 3.52Å; V168-D174 WeakPolarHBondContact CA-O 3.3Å; D169-D174 PolarHBondContact N-O 2.87Å; T172-D174 WeakPolarHBondContact CB-OD2 3.47Å; T172-D174 PolarHBondContact O-N 3.47Å; T172-D174 WeakPolarHBondContact OG1-CB 3.3Å; T172-D174 VanDerWaalsContact OG1-CG 3.28Å; T172-D174 PolarHBondContact OG1-N 3.29Å; T172-D174 PolarHBondContact OG1-OD2 2.83Å
175	R	97	Very high	92.7	Very high	197 Å²	197	68.1 Å²	68.1	74%	0.743	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-69	135	178.7	-176.5	172.9	179.1	-178.9	2.4	111.8	M167	M167-R175 WeakPolarHBondContact O-CA 3.36Å
176	L	96.9	Very high	92.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-84.3	153.3	169.1	-56.4	178.4	0	0	0	111.5	L147 F148 H149 Y156 P163 M167 D169	L147-L176 HydrophobicContact CB-CB 4.29Å; L147-L176 HydrophobicContact CB-CD1 4.17Å; L147-L176 HydrophobicContact CD1-CD1 4.15Å; F148-L176 CarbonylContact O-C 3.54Å; F148-L176 WeakPolarHBondContact O-CA 3.33Å; H149-L176 HydrophobicContact CB-CD2 3.68Å; Y156-L176 HydrophobicContact CD2-CD1 3.55Å; Y156-L176 HydrophobicContact CD2-CD2 3.64Å; Y156-L176 HydrophobicContact CD2-CG 4.27Å; Y156-L176 HydrophobicContact CE2-CD1 4.09Å; Y156-L176 HydrophobicContact CE2-CD2 3.64Å; Y156-L176 HydrophobicContact CG-CD1 3.89Å; P163-L176 HydrophobicContact CB-CD1 3.91Å; P163-L176 HydrophobicContact CG-CD1 3.88Å; M167-L176 WeakPolarHBondContact CE-O 3.45Å; M167-L176 PolarHBondContact O-N 2.9Å; D169-L176 HydrophobicContact CB-CD2 3.92Å
177	V	94.6	Very high	92	Very high	43 Å²	43	59.2 Å²	59.2	26%	0.261	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-132.4	152.5	177.8	-56.8	0	0	0	0	111.6	F148 L150	F148-V177 PolarHBondContact N-O 3.3Å; F148-V177 PolarHBondContact O-N 3.03Å; L150-V177 HydrophobicContact CD1-CG1 4.44Å; L150-V177 HydrophobicContact CD1-CG2 4.1Å; L150-V177 HydrophobicContact CD2-CG2 3.66Å; L150-V177 HydrophobicContact CG-CG2 3.68Å
178	H	91.8	Very high	91.7	Very high	86 Å²	86	63.1 Å²	63.1	40%	0.398	33%	0.325	S	S	.	.			trans	-79.7	155.8	160.4	-64.2	-88.3	0	0	0	109.7	R146 L147 E158	R146-H178 PolarHBondContact O-ND1 3.32Å; R146-H178 VanDerWaalsContact O-ND1 3.16Å; L147-H178 WeakPolarHBondContact CD2-CE1 3.38Å; L147-H178 WeakPolarHBondContact CD2-NE2 3.35Å; E158-H178 IonicContact OE1-CE1 2.8Å; E158-H178 PolarHBondContact OE1-CE1 3.16Å; E158-H178 VanDerWaalsContact OE1-CE1 3.3Å; E158-H178 IonicContact OE1-NE2 3.91Å
179	R	88.4	Confident	91.4	Very high	43 Å²	43	64.9 Å²	64.9	16%	0.162	33%	0.329	C	S	.	.			trans	-86.6	144.7	170.7	-62.2	177.4	171.5	166.5	-4.6	110.3	D52 R55 R146 F148 D181 D182	D52-R179 IonicContact OD1-NH2 2.91Å; R55-R179 VanDerWaalsContact NH2-CZ 3.25Å; R146-R179 VanDerWaalsContact NH2-NH1 3.2Å; F148-R179 HydrophobicContact CD2-CG 3.56Å; F148-R179 HydrophobicContact CE2-CG 3.65Å; F148-R179 VanDerWaalsContact CE2-CZ 3.47Å; F148-R179 HydrophobicContact CG-CG 4.43Å; F148-R179 VanDerWaalsContact CZ-NE 3.34Å; R179-D181 WeakPolarHBondContact CB-OD1 3.24Å; R179-D181 PolarHBondContact O-N 3.08Å; R179-D182 HydrophobicContact CB-CB 4.39Å; R179-D182 PolarHBondContact O-N 3.41Å; R179-D182 VanDerWaalsContact O-N 3.15Å
180	S	84.5	Confident	91.2	Very high	63 Å²	63	66.2 Å²	66.2	44%	0.441	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.6	178.1	56.2	0	0	0	0	113.3	K183	S180-K183 VanDerWaalsContact O-CE 3.3Å; S180-K183 WeakPolarHBondContact O-CE 3.43Å
181	D	83.7	Confident	91.1	Very high	23 Å²	23	65.6 Å²	65.6	12%	0.123	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.9	177.9	72.2	-43.2	0	0	0	114.3	R179 K183 R190	R179-D181 WeakPolarHBondContact CB-OD1 3.24Å; R179-D181 PolarHBondContact O-N 3.08Å; D181-K183 PolarHBondContact O-N 3.25Å; D181-R190 PolarHBondContact O-NH1 2.72Å; D181-R190 IonicContact OD2-CZ 3.97Å; D181-R190 IonicContact OD2-NH1 3.91Å; D181-R190 PolarHBondContact OD2-NH1 3.05Å
182	D	85	Confident	91	Very high	15 Å²	15	66.2 Å²	66.2	8%	0.08	33%	0.325	C	S	.	.			trans	-92.3	38.7	173.9	-74.1	-16.1	0	0	0	111.9	I143 R146 R179 R190	I143-D182 HydrophobicContact CG2-CB 4.02Å; I143-D182 WeakPolarHBondContact CG2-OD1 3.45Å; R146-D182 IonicContact CZ-OD1 3.61Å; R146-D182 IonicContact CZ-OD2 2.68Å; R146-D182 IonicContact NE-OD1 3.49Å; R146-D182 IonicContact NE-OD2 2.92Å; R146-D182 PolarHBondContact NE-OD2 3.45Å; R146-D182 IonicContact NH2-OD1 3.3Å; R146-D182 PolarHBondContact NH2-OD1 2.85Å; R146-D182 IonicContact NH2-OD2 3.79Å; R146-D182 PolarHBondContact NH2-OD2 3.11Å; R179-D182 HydrophobicContact CB-CB 4.39Å; R179-D182 PolarHBondContact O-N 3.41Å; R179-D182 VanDerWaalsContact O-N 3.15Å; D182-R190 IonicContact OD1-CZ 3.76Å; D182-R190 IonicContact OD1-NH1 2.68Å; D182-R190 PolarHBondContact OD1-NH1 2.84Å
183	K	84.5	Confident	90.9	Very high	105 Å²	105	64.7 Å²	64.7	46%	0.457	31%	0.313	S	S	.	.	S	Bend	trans	-90.3	147.7	171.6	-62.4	173.7	-174.4	171	0	110.8	S180 D181 E185 A186 L187	S180-K183 VanDerWaalsContact O-CE 3.3Å; S180-K183 WeakPolarHBondContact O-CE 3.43Å; D181-K183 PolarHBondContact O-N 3.25Å; K183-E185 VanDerWaalsContact C-N 3.27Å; K183-E185 PolarHBondContact O-N 3.31Å; K183-A186 HydrophobicContact CB-CB 4.39Å; K183-A186 PolarHBondContact O-N 3.33Å; K183-L187 WeakPolarHBondContact O-CB 3.41Å; K183-L187 PolarHBondContact O-N 3.21Å
184	P	85.3	Confident	90.9	Very high	51 Å²	51	64.5 Å²	64.5	33%	0.331	30%	0.297	S	S	.	.	H	α-helix	trans	-53.2	-39.7	177.9	-27.4	35.4	0	0	0	114.2	L187 K188	P184-L187 WeakPolarHBondContact O-CB 3.43Å; P184-L187 PolarHBondContact O-N 3.08Å; P184-K188 WeakPolarHBondContact O-CG 3.42Å; P184-K188 PolarHBondContact O-N 3.27Å
185	E	88.3	Confident	90.8	Very high	131 Å²	131	65.8 Å²	65.8	61%	0.612	30%	0.304	S	S	*	.	H	α-helix	trans	-68.2	-45.6	-179.2	-59.9	69.9	-148.8	0	0	111.6	K183 L187 K188 K189	K183-E185 VanDerWaalsContact C-N 3.27Å; K183-E185 PolarHBondContact O-N 3.31Å; E185-L187 VanDerWaalsContact C-N 3.27Å; E185-L187 PolarHBondContact O-N 3.48Å; E185-K188 PolarHBondContact O-N 3.21Å; E185-K189 PolarHBondContact O-N 3.18Å
186	A	89.9	Confident	90.8	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-38.1	175.6	0	0	0	0	0	110.7	E73 K183 K189 R190	E73-A186 WeakPolarHBondContact O-CB 3.38Å; K183-A186 HydrophobicContact CB-CB 4.39Å; K183-A186 PolarHBondContact O-N 3.33Å; A186-K189 PolarHBondContact O-N 3.15Å; A186-R190 WeakPolarHBondContact O-CB 3.44Å; A186-R190 WeakPolarHBondContact O-CD 3.18Å; A186-R190 WeakPolarHBondContact O-CG 3.38Å; A186-R190 PolarHBondContact O-N 2.74Å
187	L	89	Confident	90.8	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-49.2	175.9	175.2	55.7	0	0	0	112.2	P28 E140 I143 K183 P184 E185 K189 R190 L191	P28-L187 HydrophobicContact CB-CD1 3.94Å; E140-L187 HydrophobicContact CB-CD2 4.01Å; E140-L187 HydrophobicContact CG-CD2 4.09Å; I143-L187 HydrophobicContact CB-CD2 4.13Å; I143-L187 HydrophobicContact CD1-CD1 3.12Å; I143-L187 HydrophobicContact CD1-CD2 3.82Å; I143-L187 HydrophobicContact CD1-CG 4.08Å; I143-L187 HydrophobicContact CG1-CD1 4.44Å; I143-L187 HydrophobicContact CG2-CD1 4.44Å; I143-L187 HydrophobicContact CG2-CD2 4.31Å; K183-L187 WeakPolarHBondContact O-CB 3.41Å; K183-L187 PolarHBondContact O-N 3.21Å; P184-L187 WeakPolarHBondContact O-CB 3.43Å; P184-L187 PolarHBondContact O-N 3.08Å; E185-L187 VanDerWaalsContact C-N 3.27Å; E185-L187 PolarHBondContact O-N 3.48Å; L187-K189 PolarHBondContact O-N 3.33Å; L187-R190 PolarHBondContact O-N 3.37Å; L187-L191 HydrophobicContact CD1-CD1 3.93Å; L187-L191 HydrophobicContact CD1-CD2 4.36Å; L187-L191 HydrophobicContact CD1-CG 3.78Å; L187-L191 HydrophobicContact CD2-CD1 4.5Å; L187-L191 HydrophobicContact CG-CD1 3.95Å; L187-L191 HydrophobicContact CG-CG 4.28Å; L187-L191 PolarHBondContact O-N 2.93Å
188	K	90.4	Very high	91	Very high	143 Å²	143	63 Å²	63	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-53.3	-44.6	178.8	-73.9	175.6	-177.7	176.5	0	111.4	P184 E185 L191 Y192	P184-K188 WeakPolarHBondContact O-CG 3.42Å; P184-K188 PolarHBondContact O-N 3.27Å; E185-K188 PolarHBondContact O-N 3.21Å; K188-L191 PolarHBondContact O-N 3.41Å; K188-Y192 WeakPolarHBondContact O-CB 3.32Å; K188-Y192 PolarHBondContact O-N 3.43Å
189	K	92.8	Very high	91.3	Very high	82 Å²	82	61.8 Å²	61.8	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-41.3	176	-164.1	-176.6	-173.6	177.1	0	112.5	S74 E185 A186 L187 L191 Y192 E193	S74-K189 WeakPolarHBondContact O-CD 3.48Å; S74-K189 PolarHBondContact OG-NZ 3.18Å; S74-K189 VanDerWaalsContact OG-NZ 3.13Å; E185-K189 PolarHBondContact O-N 3.18Å; A186-K189 PolarHBondContact O-N 3.15Å; L187-K189 PolarHBondContact O-N 3.33Å; K189-L191 VanDerWaalsContact C-N 3.3Å; K189-L191 PolarHBondContact O-N 2.65Å; K189-Y192 PolarHBondContact O-N 3.46Å; K189-E193 HydrophobicContact CG-CG 4.47Å; K189-E193 WeakPolarHBondContact O-CG 3.46Å; K189-E193 PolarHBondContact O-N 2.77Å
190	R	92.8	Very high	91.8	Very high	29 Å²	29	62.6 Å²	62.6	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-36.2	177.4	-70	164.4	63	-168.9	-3.7	112.4	P28 D181 D182 A186 L187 Y194	P28-R190 HydrophobicContact CB-CB 4.49Å; P28-R190 HydrophobicContact CG-CB 3.67Å; D181-R190 PolarHBondContact O-NH1 2.72Å; D181-R190 IonicContact OD2-CZ 3.97Å; D181-R190 IonicContact OD2-NH1 3.91Å; D181-R190 PolarHBondContact OD2-NH1 3.05Å; D182-R190 IonicContact OD1-CZ 3.76Å; D182-R190 IonicContact OD1-NH1 2.68Å; D182-R190 PolarHBondContact OD1-NH1 2.84Å; A186-R190 WeakPolarHBondContact O-CB 3.44Å; A186-R190 WeakPolarHBondContact O-CD 3.18Å; A186-R190 WeakPolarHBondContact O-CG 3.38Å; A186-R190 PolarHBondContact O-N 2.74Å; L187-R190 PolarHBondContact O-N 3.37Å; R190-Y194 WeakPolarHBondContact O-CB 3.42Å; R190-Y194 PolarHBondContact O-N 2.68Å; R190-Y194 VanDerWaalsContact O-N 3.08Å
191	L	92.6	Very high	92.4	Very high	38 Å²	38	59.8 Å²	59.8	20%	0.199	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-46.8	173.9	-69.9	171.3	0	0	0	110.9	P27 P28 L139 L187 K188 K189 E193 Y194 D195	P27-L191 HydrophobicContact CB-CD2 4.05Å; P28-L191 HydrophobicContact CG-CD2 4.43Å; L139-L191 HydrophobicContact CD1-CD2 3.58Å; L187-L191 HydrophobicContact CD1-CD1 3.93Å; L187-L191 HydrophobicContact CD1-CD2 4.36Å; L187-L191 HydrophobicContact CD1-CG 3.78Å; L187-L191 HydrophobicContact CD2-CD1 4.5Å; L187-L191 HydrophobicContact CG-CD1 3.95Å; L187-L191 HydrophobicContact CG-CG 4.28Å; L187-L191 PolarHBondContact O-N 2.93Å; K188-L191 PolarHBondContact O-N 3.41Å; K189-L191 VanDerWaalsContact C-N 3.3Å; K189-L191 PolarHBondContact O-N 2.65Å; L191-E193 PolarHBondContact O-N 2.84Å; L191-Y194 WeakPolarHBondContact O-CB 3.35Å; L191-Y194 PolarHBondContact O-N 2.92Å; L191-Y194 VanDerWaalsContact O-N 3.11Å; L191-D195 PolarHBondContact O-N 2.93Å
192	Y	93.6	Very high	93.1	Very high	140 Å²	140	59.7 Å²	59.7	55%	0.549	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-47.1	175.1	173.7	-97.4	0	0	0	112.7	K188 K189 Y194 D195 K196	K188-Y192 WeakPolarHBondContact O-CB 3.32Å; K188-Y192 PolarHBondContact O-N 3.43Å; K189-Y192 PolarHBondContact O-N 3.46Å; Y192-Y194 VanDerWaalsContact C-N 3.32Å; Y192-Y194 PolarHBondContact O-N 3.16Å; Y192-D195 PolarHBondContact O-N 3.33Å; Y192-K196 HydrophobicContact CE1-CD 4.33Å; Y192-K196 VanDerWaalsContact O-CB 3.27Å; Y192-K196 WeakPolarHBondContact O-CB 3.25Å; Y192-K196 PolarHBondContact O-N 3.38Å
193	E	95	Very high	93.8	Very high	38 Å²	38	65 Å²	65	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-37.3	176.5	-71.1	-60	155.5	0	0	112	L77 K189 L191 N197	L77-E193 HydrophobicContact CD1-CB 4.48Å; L77-E193 HydrophobicContact CG-CB 4.42Å; K189-E193 HydrophobicContact CG-CG 4.47Å; K189-E193 WeakPolarHBondContact O-CG 3.46Å; K189-E193 PolarHBondContact O-N 2.77Å; L191-E193 PolarHBondContact O-N 2.84Å; E193-N197 WeakPolarHBondContact O-CB 3.22Å; E193-N197 PolarHBondContact O-N 2.85Å; E193-N197 PolarHBondContact O-ND2 3.37Å; E193-N197 PolarHBondContact OE2-ND2 3.44Å
194	Y	95.7	Very high	94.5	Very high	45 Å²	45	61.8 Å²	61.8	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-53.1	174.6	172	-96.2	0	0	0	111.3	I25 G26 P27 R190 L191 Y192 K196 N197 V198	I25-Y194 HydrophobicContact CG2-CE2 4.46Å; G26-Y194 VanDerWaalsContact C-CZ 3.44Å; G26-Y194 WeakPolarHBondContact CA-OH 3.39Å; G26-Y194 WeakPolarHBondContact O-CE2 3.35Å; P27-Y194 HydrophobicContact CB-CD1 3.67Å; P27-Y194 HydrophobicContact CB-CE1 3.66Å; P27-Y194 HydrophobicContact CB-CE2 4.5Å; P27-Y194 HydrophobicContact CB-CG 4.1Å; P27-Y194 WeakPolarHBondContact CD-OH 3.14Å; P27-Y194 HydrophobicContact CG-CE1 4.13Å; P27-Y194 VanDerWaalsContact N-CZ 3.28Å; R190-Y194 WeakPolarHBondContact O-CB 3.42Å; R190-Y194 PolarHBondContact O-N 2.68Å; R190-Y194 VanDerWaalsContact O-N 3.08Å; L191-Y194 WeakPolarHBondContact O-CB 3.35Å; L191-Y194 PolarHBondContact O-N 2.92Å; L191-Y194 VanDerWaalsContact O-N 3.11Å; Y192-Y194 VanDerWaalsContact C-N 3.32Å; Y192-Y194 PolarHBondContact O-N 3.16Å; Y194-K196 VanDerWaalsContact C-N 3.28Å; Y194-K196 PolarHBondContact O-N 3.3Å; Y194-N197 PolarHBondContact O-N 3.41Å; Y194-N197 VanDerWaalsContact O-N 3.11Å; Y194-V198 HydrophobicContact CD1-CG1 4.34Å; Y194-V198 HydrophobicContact CD2-CB 4.2Å; Y194-V198 HydrophobicContact CD2-CG2 4.46Å; Y194-V198 HydrophobicContact CE1-CB 4.19Å; Y194-V198 HydrophobicContact CE1-CG1 3.96Å; Y194-V198 HydrophobicContact CE1-CG2 4.33Å; Y194-V198 HydrophobicContact CE2-CB 3.84Å; Y194-V198 HydrophobicContact CE2-CG1 4.5Å; Y194-V198 HydrophobicContact CE2-CG2 3.64Å; Y194-V198 VanDerWaalsContact O-CB 3.24Å; Y194-V198 WeakPolarHBondContact O-CB 3.34Å; Y194-V198 WeakPolarHBondContact O-CG1 3.42Å; Y194-V198 PolarHBondContact O-N 3.11Å
195	D	95.1	Very high	95.1	Very high	106 Å²	106	59.4 Å²	59.4	57%	0.567	29%	0.287	S	S	*	.	H	α-helix	trans	-60.6	-39.2	-177.1	-68.9	-22.8	0	0	0	111.7	L191 Y192 N197	L191-D195 PolarHBondContact O-N 2.93Å; Y192-D195 PolarHBondContact O-N 3.33Å; D195-N197 VanDerWaalsContact C-N 3.35Å; D195-N197 PolarHBondContact O-N 3.07Å
196	K	96.7	Very high	95.6	Very high	131 Å²	131	57.6 Å²	57.6	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-62.9	-37.8	176.5	-179.9	-179.5	174.6	-170.5	0	113.2	Y192 Y194	Y192-K196 HydrophobicContact CE1-CD 4.33Å; Y192-K196 VanDerWaalsContact O-CB 3.27Å; Y192-K196 WeakPolarHBondContact O-CB 3.25Å; Y192-K196 PolarHBondContact O-N 3.38Å; Y194-K196 VanDerWaalsContact C-N 3.28Å; Y194-K196 PolarHBondContact O-N 3.3Å
197	N	97.6	Very high	96	Very high	32 Å²	32	61.6 Å²	61.6	17%	0.171	31%	0.306	C	S	.	.	H	α-helix	trans	-104.7	-18.2	-169	-69.7	-73.5	0	0	0	114.2	R107 E193 Y194 D195 P200 I201	R107-N197 WeakPolarHBondContact O-CB 3.45Å; E193-N197 WeakPolarHBondContact O-CB 3.22Å; E193-N197 PolarHBondContact O-N 2.85Å; E193-N197 PolarHBondContact O-ND2 3.37Å; E193-N197 PolarHBondContact OE2-ND2 3.44Å; Y194-N197 PolarHBondContact O-N 3.41Å; Y194-N197 VanDerWaalsContact O-N 3.11Å; D195-N197 VanDerWaalsContact C-N 3.35Å; D195-N197 PolarHBondContact O-N 3.07Å; N197-P200 WeakPolarHBondContact O-CD 3.33Å; N197-I201 WeakPolarHBondContact O-CD1 3.42Å; N197-I201 WeakPolarHBondContact O-CG1 3.41Å
198	V	97.7	Very high	96.3	Very high	17 Å²	17	64.1 Å²	64.1	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-70.2	-40.6	-168.9	67.5	0	0	0	0	113.1	I25 Y194 I201 L202	I25-V198 HydrophobicContact CG2-CG2 3.94Å; Y194-V198 HydrophobicContact CD1-CG1 4.34Å; Y194-V198 HydrophobicContact CD2-CB 4.2Å; Y194-V198 HydrophobicContact CD2-CG2 4.46Å; Y194-V198 HydrophobicContact CE1-CB 4.19Å; Y194-V198 HydrophobicContact CE1-CG1 3.96Å; Y194-V198 HydrophobicContact CE1-CG2 4.33Å; Y194-V198 HydrophobicContact CE2-CB 3.84Å; Y194-V198 HydrophobicContact CE2-CG1 4.5Å; Y194-V198 HydrophobicContact CE2-CG2 3.64Å; Y194-V198 VanDerWaalsContact O-CB 3.24Å; Y194-V198 WeakPolarHBondContact O-CB 3.34Å; Y194-V198 WeakPolarHBondContact O-CG1 3.42Å; Y194-V198 PolarHBondContact O-N 3.11Å; V198-I201 WeakPolarHBondContact O-CB 3.35Å; V198-I201 PolarHBondContact O-N 3.3Å; V198-L202 HydrophobicContact CG2-CD1 3.75Å; V198-L202 HydrophobicContact CG2-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CG 3.74Å; V198-L202 WeakPolarHBondContact O-CG 3.16Å; V198-L202 PolarHBondContact O-N 3.16Å
199	A	98.3	Very high	96.6	Very high	62 Å²	62	63 Å²	63	51%	0.512	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-45.7	-173.3	0	0	0	0	0	113.3	I201 L202 H203	A199-I201 VanDerWaalsContact C-N 3.31Å; A199-I201 PolarHBondContact O-N 3.35Å; A199-L202 PolarHBondContact O-N 3.28Å; A199-H203 WeakPolarHBondContact O-CB 3.42Å; A199-H203 PolarHBondContact O-N 3.46Å
200	P	98.5	Very high	96.9	Very high	59 Å²	59	60.2 Å²	60.2	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-37.4	172.2	-27.1	35.6	0	0	0	114.3	I109 N197 F204	I109-P200 HydrophobicContact CB-CB 4.08Å; I109-P200 HydrophobicContact CD1-CB 4.47Å; I109-P200 HydrophobicContact CG1-CB 4.33Å; N197-P200 WeakPolarHBondContact O-CD 3.33Å; P200-F204 WeakPolarHBondContact O-CB 3.16Å; P200-F204 PolarHBondContact O-N 2.91Å
201	I	98.6	Very high	97.1	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-44.5	179.4	-60	168.6	0	0	0	110.3	I25 P106 R107 A112 N197 V198 A199 F204 Y205	I25-I201 HydrophobicContact CD1-CG2 3.81Å; P106-I201 HydrophobicContact CG-CG2 3.9Å; R107-I201 VanDerWaalsContact C-CD1 3.45Å; A112-I201 HydrophobicContact CB-CG2 4.46Å; N197-I201 WeakPolarHBondContact O-CD1 3.42Å; N197-I201 WeakPolarHBondContact O-CG1 3.41Å; V198-I201 WeakPolarHBondContact O-CB 3.35Å; V198-I201 PolarHBondContact O-N 3.3Å; A199-I201 VanDerWaalsContact C-N 3.31Å; A199-I201 PolarHBondContact O-N 3.35Å; I201-F204 WeakPolarHBondContact O-CB 3.5Å; I201-F204 PolarHBondContact O-N 3.31Å; I201-Y205 HydrophobicContact CG2-CD2 3.89Å; I201-Y205 HydrophobicContact CG2-CE2 3.67Å; I201-Y205 VanDerWaalsContact O-CD2 3.31Å; I201-Y205 WeakPolarHBondContact O-CD2 3.2Å; I201-Y205 PolarHBondContact O-N 3.5Å; I201-Y205 VanDerWaalsContact O-N 3.16Å
202	L	98.6	Very high	97.4	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-47.3	177	-64.6	176.3	0	0	0	110.6	I25 E131 V198 A199 F204 Y205 E206 L211	I25-L202 HydrophobicContact CD1-CD2 4.18Å; I25-L202 HydrophobicContact CG2-CD2 3.97Å; E131-L202 HydrophobicContact CB-CD2 4.03Å; E131-L202 HydrophobicContact CG-CD2 3.8Å; E131-L202 VanDerWaalsContact OE1-CD1 3.29Å; E131-L202 WeakPolarHBondContact OE1-CD1 3.45Å; V198-L202 HydrophobicContact CG2-CD1 3.75Å; V198-L202 HydrophobicContact CG2-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CG 3.74Å; V198-L202 WeakPolarHBondContact O-CG 3.16Å; V198-L202 PolarHBondContact O-N 3.16Å; A199-L202 PolarHBondContact O-N 3.28Å; L202-F204 VanDerWaalsContact C-N 3.28Å; L202-F204 PolarHBondContact O-N 2.98Å; L202-Y205 PolarHBondContact O-N 3.03Å; L202-E206 VanDerWaalsContact O-CB 3.25Å; L202-E206 WeakPolarHBondContact O-CB 3.27Å; L202-E206 PolarHBondContact O-N 3.08Å; L202-L211 HydrophobicContact CB-CD2 4.14Å; L202-L211 HydrophobicContact CD2-CD1 3.75Å; L202-L211 HydrophobicContact CD2-CD2 4.22Å
203	H	98.6	Very high	97.6	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.588	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-40.1	177	-178.3	64.9	0	0	0	112.2	A199 Y205 E206 S207	A199-H203 WeakPolarHBondContact O-CB 3.42Å; A199-H203 PolarHBondContact O-N 3.46Å; H203-Y205 PolarHBondContact O-N 3.33Å; H203-E206 PolarHBondContact O-N 2.91Å; H203-S207 WeakPolarHBondContact O-CB 3.49Å; H203-S207 PolarHBondContact O-N 3.49Å; H203-S207 PolarHBondContact O-OG 3.1Å
204	F	98.7	Very high	97.8	Very high	38 Å²	38	56.3 Å²	56.3	17%	0.167	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-40.2	177.5	178.1	-102	0	0	0	113.4	I109 A112 K113 D116 P200 I201 L202 S207 Q208	I109-F204 HydrophobicContact CD1-CB 3.66Å; I109-F204 HydrophobicContact CD1-CD2 4.16Å; I109-F204 HydrophobicContact CD1-CG 3.93Å; A112-F204 HydrophobicContact CB-CD1 3.85Å; A112-F204 HydrophobicContact CB-CE1 4.05Å; K113-F204 HydrophobicContact CG-CE2 4.1Å; K113-F204 HydrophobicContact CG-CZ 4.35Å; D116-F204 HydrophobicContact CB-CE1 4.29Å; D116-F204 HydrophobicContact CB-CZ 4.01Å; P200-F204 WeakPolarHBondContact O-CB 3.16Å; P200-F204 PolarHBondContact O-N 2.91Å; I201-F204 WeakPolarHBondContact O-CB 3.5Å; I201-F204 PolarHBondContact O-N 3.31Å; L202-F204 VanDerWaalsContact C-N 3.28Å; L202-F204 PolarHBondContact O-N 2.98Å; F204-S207 PolarHBondContact O-OG 2.92Å; F204-S207 VanDerWaalsContact O-OG 3.05Å; F204-Q208 WeakPolarHBondContact O-CG 3.46Å; F204-Q208 PolarHBondContact O-NE2 2.98Å
205	Y	98.5	Very high	97.8	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-82.6	-28.7	176.5	-70	-61.4	0	0	0	113.2	V23 I25 P106 A112 L126 A129 I201 L202 H203 Q208 N209 K210 L211	V23-Y205 HydrophobicContact CG1-CE2 4.23Å; I25-Y205 HydrophobicContact CD1-CD2 3.64Å; I25-Y205 HydrophobicContact CD1-CE2 3.84Å; P106-Y205 HydrophobicContact CG-CE2 3.94Å; P106-Y205 WeakPolarHBondContact CG-OH 3.34Å; A112-Y205 HydrophobicContact CB-CE2 4.43Å; L126-Y205 HydrophobicContact CD2-CD1 4.09Å; L126-Y205 HydrophobicContact CD2-CE1 3.5Å; L126-Y205 VanDerWaalsContact CD2-CE1 3.5Å; A129-Y205 HydrophobicContact CB-CD1 4Å; A129-Y205 HydrophobicContact CB-CD2 3.64Å; A129-Y205 HydrophobicContact CB-CE1 4.49Å; A129-Y205 HydrophobicContact CB-CE2 4.16Å; A129-Y205 HydrophobicContact CB-CG 3.54Å; I201-Y205 HydrophobicContact CG2-CD2 3.89Å; I201-Y205 HydrophobicContact CG2-CE2 3.67Å; I201-Y205 VanDerWaalsContact O-CD2 3.31Å; I201-Y205 WeakPolarHBondContact O-CD2 3.2Å; I201-Y205 PolarHBondContact O-N 3.5Å; I201-Y205 VanDerWaalsContact O-N 3.16Å; L202-Y205 PolarHBondContact O-N 3.03Å; H203-Y205 PolarHBondContact O-N 3.33Å; Y205-Q208 PolarHBondContact O-N 3.45Å; Y205-N209 PolarHBondContact O-N 3Å; Y205-K210 PolarHBondContact O-N 3.45Å; Y205-L211 PolarHBondContact O-N 3.25Å
206	E	98.2	Very high	97.8	Very high	93 Å²	93	52.7 Å²	52.7	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-42.5	175.4	-168.4	165.2	-119.5	0	0	111.2	L202 H203 Q208 N209 L211 R213	L202-E206 VanDerWaalsContact O-CB 3.25Å; L202-E206 WeakPolarHBondContact O-CB 3.27Å; L202-E206 PolarHBondContact O-N 3.08Å; H203-E206 PolarHBondContact O-N 2.91Å; E206-Q208 PolarHBondContact O-N 3.35Å; E206-Q208 VanDerWaalsContact O-N 3.14Å; E206-N209 PolarHBondContact O-N 3.28Å; E206-L211 HydrophobicContact CB-CB 4.09Å; E206-L211 HydrophobicContact CB-CD2 3.91Å; E206-L211 HydrophobicContact CG-CD2 4.35Å; E206-R213 IonicContact OE1-CZ 3.1Å; E206-R213 IonicContact OE1-NH1 3.66Å; E206-R213 PolarHBondContact OE1-NH1 3.4Å; E206-R213 IonicContact OE1-NH2 3.61Å; E206-R213 PolarHBondContact OE1-NH2 2.86Å; E206-R213 IonicContact OE2-NH2 3.05Å
207	S	98.2	Very high	97.6	Very high	85 Å²	85	50.2 Å²	50.2	59%	0.594	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	176.5	68.8	0	0	0	0	113.8	H203 F204	H203-S207 WeakPolarHBondContact O-CB 3.49Å; H203-S207 PolarHBondContact O-N 3.49Å; H203-S207 PolarHBondContact O-OG 3.1Å; F204-S207 PolarHBondContact O-OG 2.92Å; F204-S207 VanDerWaalsContact O-OG 3.05Å
208	Q	97	Very high	97.3	Very high	56 Å²	56	52.5 Å²	52.5	26%	0.262	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.8	175	-64.2	176.6	51.2	0	0	113.2	F204 Y205 E206 K210	F204-Q208 WeakPolarHBondContact O-CG 3.46Å; F204-Q208 PolarHBondContact O-NE2 2.98Å; Y205-Q208 PolarHBondContact O-N 3.45Å; E206-Q208 PolarHBondContact O-N 3.35Å; E206-Q208 VanDerWaalsContact O-N 3.14Å; Q208-K210 HydrophobicContact CB-CB 4.49Å; Q208-K210 HydrophobicContact CB-CD 3.98Å; Q208-K210 HydrophobicContact CB-CG 4.08Å; Q208-K210 PolarHBondContact O-N 3.35Å
209	N	96.9	Very high	97	Very high	119 Å²	119	56.1 Å²	56.1	64%	0.636	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	31.9	-173.5	-167	37.6	0	0	0	113.6	Y205 E206 K234	Y205-N209 PolarHBondContact O-N 3Å; E206-N209 PolarHBondContact O-N 3.28Å; N209-K234 WeakPolarHBondContact O-CE 3.32Å; N209-K234 PolarHBondContact O-NZ 3.43Å
210	K	97.6	Very high	96.6	Very high	23 Å²	23	56 Å²	56	10%	0.1	29%	0.288	C	S	.	.			trans	-106.7	-14.6	-178.9	-70.2	175.2	-177.3	166.4	0	113.4	D116 L126 A128 A129 Y205 Q208 L212	D116-K210 IonicContact OD1-NZ 2.68Å; L126-K210 HydrophobicContact CB-CD 4.36Å; L126-K210 HydrophobicContact CD2-CD 4.32Å; L126-K210 WeakPolarHBondContact O-CD 3.49Å; L126-K210 VanDerWaalsContact O-CE 3.28Å; L126-K210 WeakPolarHBondContact O-CE 3.46Å; A128-K210 CarbonylContact C-O 3.55Å; A128-K210 VanDerWaalsContact CA-O 3.25Å; A128-K210 WeakPolarHBondContact CA-O 3.41Å; A128-K210 WeakPolarHBondContact CB-O 3.42Å; A129-K210 PolarHBondContact N-O 3.03Å; Y205-K210 PolarHBondContact O-N 3.45Å; Q208-K210 HydrophobicContact CB-CB 4.49Å; Q208-K210 HydrophobicContact CB-CD 3.98Å; Q208-K210 HydrophobicContact CB-CG 4.08Å; Q208-K210 PolarHBondContact O-N 3.35Å; K210-L212 PolarHBondContact O-N 2.86Å
211	L	98.5	Very high	96.4	Very high	21 Å²	21	58.2 Å²	58.2	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121	-175.1	-175.7	65.5	0	0	0	112	A129 E131 L202 Y205 E206 R213	A129-L211 HydrophobicContact CB-CD1 4.41Å; E131-L211 HydrophobicContact CB-CD1 3.99Å; L202-L211 HydrophobicContact CB-CD2 4.14Å; L202-L211 HydrophobicContact CD2-CD1 3.75Å; L202-L211 HydrophobicContact CD2-CD2 4.22Å; Y205-L211 PolarHBondContact O-N 3.25Å; E206-L211 HydrophobicContact CB-CB 4.09Å; E206-L211 HydrophobicContact CB-CD2 3.91Å; E206-L211 HydrophobicContact CG-CD2 4.35Å; L211-R213 VanDerWaalsContact CD2-NH2 3.33Å
212	L	98.4	Very high	96.3	Very high	28 Å²	28	61.8 Å²	61.8	15%	0.147	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142	171.7	-55.7	178.3	0	0	0	109.8	A128 A129 L130 E131 K210 L230 K234	A128-L212 HydrophobicContact CB-CD1 3.73Å; A128-L212 HydrophobicContact CB-CG 4.1Å; A129-L212 PolarHBondContact O-N 3.01Å; L130-L212 WeakPolarHBondContact CA-O 3.48Å; L130-L212 HydrophobicContact CD2-CB 3.9Å; L130-L212 HydrophobicContact CD2-CD1 4.04Å; L130-L212 HydrophobicContact CD2-CG 4.46Å; E131-L212 PolarHBondContact N-O 3.11Å; K210-L212 PolarHBondContact O-N 2.86Å; L212-L230 HydrophobicContact CD1-CB 4.17Å; L212-K234 HydrophobicContact CD1-CB 4.25Å; L212-K234 HydrophobicContact CD1-CD 4.27Å; L212-K234 HydrophobicContact CD1-CG 4.43Å; L212-K234 HydrophobicContact CD2-CD 4.41Å
213	R	98.2	Very high	96.2	Very high	110 Å²	110	61 Å²	61	42%	0.415	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.9	-173.1	-61.5	-176.6	165.7	105.6	-3.3	111.3	E131 E206 L211	E131-R213 HydrophobicContact CB-CG 4.36Å; E131-R213 WeakPolarHBondContact OE2-CD 3.49Å; E131-R213 WeakPolarHBondContact OE2-CG 3.18Å; E131-R213 IonicContact OE2-CZ 2.92Å; E131-R213 IonicContact OE2-NE 3.91Å; E131-R213 PolarHBondContact OE2-NE 3.08Å; E206-R213 IonicContact OE1-CZ 3.1Å; E206-R213 IonicContact OE1-NH1 3.66Å; E206-R213 PolarHBondContact OE1-NH1 3.4Å; E206-R213 IonicContact OE1-NH2 3.61Å; E206-R213 PolarHBondContact OE1-NH2 2.86Å; E206-R213 IonicContact OE2-NH2 3.05Å; L211-R213 VanDerWaalsContact CD2-NH2 3.33Å
214	I	97.8	Very high	96.1	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.4	-175.7	-60.9	154.2	0	0	0	109.3	L130 E131 F132 K133 A216 V223 I227 L230	L130-I214 HydrophobicContact CB-CD1 3.66Å; L130-I214 HydrophobicContact CD1-CD1 4.23Å; L130-I214 HydrophobicContact CD2-CD1 4.32Å; L130-I214 HydrophobicContact CG-CD1 4.28Å; E131-I214 PolarHBondContact O-N 3.27Å; F132-I214 HydrophobicContact CD2-CD1 4.03Å; F132-I214 HydrophobicContact CE2-CD1 3.66Å; F132-I214 HydrophobicContact CZ-CD1 4.13Å; K133-I214 PolarHBondContact N-O 3.4Å; I214-A216 PolarHBondContact O-N 3.44Å; I214-V223 HydrophobicContact CG2-CG1 3.8Å; I214-I227 HydrophobicContact CD1-CD1 3.98Å; I214-I227 HydrophobicContact CD1-CG1 3.53Å; I214-I227 HydrophobicContact CG1-CG1 4.03Å; I214-I227 HydrophobicContact CG2-CG1 4.29Å; I214-L230 HydrophobicContact CG1-CD1 3.76Å
215	N	96.5	Very high	96.1	Very high	72 Å²	72	57 Å²	57	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	96	170.9	-178.7	3.6	0	0	0	110.4	N217	N215-N217 VanDerWaalsContact C-N 3.28Å; N215-N217 PolarHBondContact O-N 3.44Å; N215-N217 VanDerWaalsContact OD1-CB 3.31Å; N215-N217 WeakPolarHBondContact OD1-CB 3.15Å; N215-N217 PolarHBondContact OD1-N 2.76Å; N215-N217 VanDerWaalsContact OD1-N 3.16Å; N215-N217 PolarHBondContact OD1-ND2 3.22Å
216	A	95.2	Very high	96.1	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.025	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	10.8	-179.1	0	0	0	0	0	114.3	F132 K133 L134 R142 I214 K218	F132-A216 HydrophobicContact CB-CB 4.1Å; F132-A216 HydrophobicContact CD1-CB 3.79Å; F132-A216 HydrophobicContact CG-CB 4.38Å; K133-A216 WeakPolarHBondContact O-CA 3.16Å; K133-A216 WeakPolarHBondContact O-CB 3.44Å; K133-A216 PolarHBondContact O-N 3.22Å; L134-A216 HydrophobicContact CB-CB 4.2Å; R142-A216 PolarHBondContact NH1-O 2.9Å; I214-A216 PolarHBondContact O-N 3.44Å; A216-K218 VanDerWaalsContact C-N 3.32Å
217	N	92.5	Very high	96.1	Very high	79 Å²	79	54.2 Å²	54.2	42%	0.422	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.7	168.4	-62.5	-67.6	0	0	0	112.6	L134 D135 N215	L134-N217 WeakPolarHBondContact CA-OD1 3.46Å; L134-N217 WeakPolarHBondContact CB-OD1 3.37Å; D135-N217 PolarHBondContact N-OD1 3.36Å; N215-N217 VanDerWaalsContact C-N 3.28Å; N215-N217 PolarHBondContact O-N 3.44Å; N215-N217 VanDerWaalsContact OD1-CB 3.31Å; N215-N217 WeakPolarHBondContact OD1-CB 3.15Å; N215-N217 PolarHBondContact OD1-N 2.76Å; N215-N217 VanDerWaalsContact OD1-N 3.16Å; N215-N217 PolarHBondContact OD1-ND2 3.22Å
218	K	91.7	Very high	96.1	Very high	80 Å²	80	52.7 Å²	52.7	35%	0.348	27%	0.268	S	S	.	.	S	Bend	trans	-72	170.2	-179.8	-54.3	-178.9	-175.3	176	0	111.5	A216 Q222 V223 D226	A216-K218 VanDerWaalsContact C-N 3.32Å; K218-Q222 HydrophobicContact CB-CB 4.21Å; K218-Q222 HydrophobicContact CB-CG 4.28Å; K218-Q222 HydrophobicContact CD-CB 4.42Å; K218-Q222 HydrophobicContact CD-CG 3.62Å; K218-V223 HydrophobicContact CB-CG2 3.9Å; K218-D226 IonicContact NZ-OD1 2.64Å; K218-D226 IonicContact NZ-OD2 3.72Å; K218-D226 PolarHBondContact NZ-OD2 2.93Å
219	D	90.7	Very high	96.1	Very high	93 Å²	93	54.2 Å²	54.2	50%	0.497	28%	0.275	S	S	.	.			trans	-62.9	156.6	172.5	72.7	86.9	0	0	0	111.7	N221 Q222 V223	D219-N221 PolarHBondContact O-N 3.15Å; D219-N221 WeakPolarHBondContact OD1-CA 3.33Å; D219-N221 WeakPolarHBondContact OD1-CB 3.35Å; D219-N221 PolarHBondContact OD1-N 3.36Å; D219-Q222 PolarHBondContact O-N 3.16Å; D219-Q222 PolarHBondContact OD1-N 3Å; D219-Q222 WeakPolarHBondContact OD2-CB 3.43Å; D219-V223 WeakPolarHBondContact O-CG2 3.43Å; D219-V223 PolarHBondContact O-N 3.16Å
220	V	90	Very high	96.1	Very high	61 Å²	61	50.9 Å²	50.9	37%	0.37	26%	0.257	S	S	.	.	H	α-helix	trans	-56.6	-35.4	-174.9	164.9	0	0	0	0	112.7	T34 Q35 K38 F224	T34-V220 HydrophobicContact CG2-CG1 3.88Å; T34-V220 HydrophobicContact CG2-CG2 4.25Å; Q35-V220 PolarHBondContact NE2-O 3.49Å; K38-V220 HydrophobicContact CD-CG1 4.25Å; V220-F224 WeakPolarHBondContact O-CB 3.45Å; V220-F224 PolarHBondContact O-N 2.58Å; V220-F224 VanDerWaalsContact O-N 3.13Å
221	N	93.9	Very high	96	Very high	104 Å²	104	49.8 Å²	49.8	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-79.2	-37.6	-177.3	-68.2	-40.9	0	0	0	111.5	K38 D219 F224 S225	K38-N221 PolarHBondContact NZ-OD1 3.23Å; D219-N221 PolarHBondContact O-N 3.15Å; D219-N221 WeakPolarHBondContact OD1-CA 3.33Å; D219-N221 WeakPolarHBondContact OD1-CB 3.35Å; D219-N221 PolarHBondContact OD1-N 3.36Å; N221-F224 WeakPolarHBondContact O-CB 3.33Å; N221-F224 PolarHBondContact O-N 3.25Å; N221-S225 PolarHBondContact O-N 3.27Å
222	Q	96.2	Very high	95.8	Very high	80 Å²	80	54.3 Å²	54.3	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-42.1	173.9	-172.4	60.5	59.4	0	0	111.9	K218 D219 F224 S225 D226	K218-Q222 HydrophobicContact CB-CB 4.21Å; K218-Q222 HydrophobicContact CB-CG 4.28Å; K218-Q222 HydrophobicContact CD-CB 4.42Å; K218-Q222 HydrophobicContact CD-CG 3.62Å; D219-Q222 PolarHBondContact O-N 3.16Å; D219-Q222 PolarHBondContact OD1-N 3Å; D219-Q222 WeakPolarHBondContact OD2-CB 3.43Å; Q222-F224 PolarHBondContact O-N 2.82Å; Q222-S225 WeakPolarHBondContact O-CB 2.92Å; Q222-S225 PolarHBondContact O-N 2.93Å; Q222-D226 PolarHBondContact NE2-OD1 3.08Å; Q222-D226 VanDerWaalsContact O-CG 3.29Å; Q222-D226 PolarHBondContact O-N 3.26Å
223	V	96.5	Very high	95.6	Very high	5 Å²	5	56 Å²	56	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-42.3	172.2	173.6	0	0	0	0	110.4	Q35 F132 I214 K218 D219 D226 I227	Q35-V223 HydrophobicContact CG-CG1 3.89Å; F132-V223 HydrophobicContact CE1-CG1 4.16Å; I214-V223 HydrophobicContact CG2-CG1 3.8Å; K218-V223 HydrophobicContact CB-CG2 3.9Å; D219-V223 WeakPolarHBondContact O-CG2 3.43Å; D219-V223 PolarHBondContact O-N 3.16Å; V223-D226 PolarHBondContact O-N 3.18Å; V223-I227 HydrophobicContact CG1-CD1 3.93Å; V223-I227 WeakPolarHBondContact O-CD1 3.4Å; V223-I227 VanDerWaalsContact O-CG1 3.28Å; V223-I227 WeakPolarHBondContact O-CG1 3.3Å; V223-I227 PolarHBondContact O-N 3.13Å
224	F	97.7	Very high	95.4	Very high	23 Å²	23	51.6 Å²	51.6	10%	0.101	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-42.9	178	-172.9	-122.8	0	0	0	112.4	Q35 K38 I39 R42 V220 N221 Q222 D226 I227 Q228	Q35-F224 VanDerWaalsContact OE1-CB 3.24Å; K38-F224 HydrophobicContact CB-CD2 3.71Å; K38-F224 HydrophobicContact CB-CE1 4.42Å; K38-F224 HydrophobicContact CB-CE2 3.52Å; K38-F224 HydrophobicContact CB-CG 4.26Å; K38-F224 HydrophobicContact CB-CZ 3.89Å; K38-F224 HydrophobicContact CD-CB 4.25Å; K38-F224 HydrophobicContact CD-CD1 4.38Å; K38-F224 HydrophobicContact CD-CD2 4.2Å; K38-F224 HydrophobicContact CD-CG 4.02Å; I39-F224 HydrophobicContact CG1-CD2 4.42Å; I39-F224 HydrophobicContact CG1-CE2 4.02Å; R42-F224 HydrophobicContact CB-CZ 3.75Å; R42-F224 HydrophobicContact CG-CZ 3.97Å; V220-F224 WeakPolarHBondContact O-CB 3.45Å; V220-F224 PolarHBondContact O-N 2.58Å; V220-F224 VanDerWaalsContact O-N 3.13Å; N221-F224 WeakPolarHBondContact O-CB 3.33Å; N221-F224 PolarHBondContact O-N 3.25Å; Q222-F224 PolarHBondContact O-N 2.82Å; F224-D226 VanDerWaalsContact C-N 3.32Å; F224-D226 PolarHBondContact O-N 3.35Å; F224-I227 WeakPolarHBondContact O-CB 3.46Å; F224-I227 PolarHBondContact O-N 3.5Å; F224-Q228 HydrophobicContact CE1-CG 4.27Å; F224-Q228 HydrophobicContact CE2-CG 4.37Å; F224-Q228 HydrophobicContact CZ-CG 4.16Å; F224-Q228 WeakPolarHBondContact O-CG 3.4Å; F224-Q228 PolarHBondContact O-N 3.3Å
225	S	98.1	Very high	95.2	Very high	57 Å²	57	52 Å²	52	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-42.8	175.3	-172.1	0	0	0	0	111.8	N221 Q222 I227 Q228 E229	N221-S225 PolarHBondContact O-N 3.27Å; Q222-S225 WeakPolarHBondContact O-CB 2.92Å; Q222-S225 PolarHBondContact O-N 2.93Å; S225-I227 VanDerWaalsContact C-N 3.33Å; S225-I227 PolarHBondContact O-N 3.3Å; S225-Q228 PolarHBondContact O-N 3.32Å; S225-E229 PolarHBondContact O-N 2.95Å
226	D	98.2	Very high	94.9	Very high	35 Å²	35	51.2 Å²	51.2	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-40.8	177.1	-65.8	-3.4	0	0	0	111.2	K218 Q222 V223 F224 Q228 E229 L230	K218-D226 IonicContact NZ-OD1 2.64Å; K218-D226 IonicContact NZ-OD2 3.72Å; K218-D226 PolarHBondContact NZ-OD2 2.93Å; Q222-D226 PolarHBondContact NE2-OD1 3.08Å; Q222-D226 VanDerWaalsContact O-CG 3.29Å; Q222-D226 PolarHBondContact O-N 3.26Å; V223-D226 PolarHBondContact O-N 3.18Å; F224-D226 VanDerWaalsContact C-N 3.32Å; F224-D226 PolarHBondContact O-N 3.35Å; D226-Q228 PolarHBondContact O-N 3.39Å; D226-E229 PolarHBondContact O-N 3.42Å; D226-L230 WeakPolarHBondContact O-CB 3.3Å; D226-L230 WeakPolarHBondContact O-CG 3.35Å; D226-L230 PolarHBondContact O-N 3.23Å
227	I	98.3	Very high	94.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-43.6	175.4	-70.1	164.2	0	0	0	110.9	Q35 I39 L130 F132 I214 V223 F224 S225 E229 L230 V231	Q35-I227 HydrophobicContact CB-CD1 4.03Å; Q35-I227 HydrophobicContact CG-CD1 3.87Å; I39-I227 HydrophobicContact CD1-CD1 4.22Å; I39-I227 HydrophobicContact CD1-CG2 3.92Å; I39-I227 HydrophobicContact CG1-CG2 4.01Å; L130-I227 HydrophobicContact CD1-CG2 4Å; F132-I227 HydrophobicContact CE1-CD1 4.34Å; F132-I227 HydrophobicContact CZ-CD1 3.73Å; I214-I227 HydrophobicContact CD1-CD1 3.98Å; I214-I227 HydrophobicContact CD1-CG1 3.53Å; I214-I227 HydrophobicContact CG1-CG1 4.03Å; I214-I227 HydrophobicContact CG2-CG1 4.29Å; V223-I227 HydrophobicContact CG1-CD1 3.93Å; V223-I227 WeakPolarHBondContact O-CD1 3.4Å; V223-I227 VanDerWaalsContact O-CG1 3.28Å; V223-I227 WeakPolarHBondContact O-CG1 3.3Å; V223-I227 PolarHBondContact O-N 3.13Å; F224-I227 WeakPolarHBondContact O-CB 3.46Å; F224-I227 PolarHBondContact O-N 3.5Å; S225-I227 VanDerWaalsContact C-N 3.33Å; S225-I227 PolarHBondContact O-N 3.3Å; I227-E229 VanDerWaalsContact C-N 3.3Å; I227-E229 PolarHBondContact O-N 2.74Å; I227-L230 PolarHBondContact O-N 3.32Å; I227-V231 HydrophobicContact CG2-CG2 4.21Å; I227-V231 WeakPolarHBondContact O-CB 3.43Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.39Å; I227-V231 PolarHBondContact O-N 3.01Å
228	Q	97.5	Very high	93.9	Very high	54 Å²	54	56.4 Å²	56.4	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-41.7	178	-69.4	177.5	-59.1	0	0	111.8	F224 S225 D226 R232	F224-Q228 HydrophobicContact CE1-CG 4.27Å; F224-Q228 HydrophobicContact CE2-CG 4.37Å; F224-Q228 HydrophobicContact CZ-CG 4.16Å; F224-Q228 WeakPolarHBondContact O-CG 3.4Å; F224-Q228 PolarHBondContact O-N 3.3Å; S225-Q228 PolarHBondContact O-N 3.32Å; D226-Q228 PolarHBondContact O-N 3.39Å; Q228-R232 VanDerWaalsContact O-CB 3.3Å; Q228-R232 WeakPolarHBondContact O-CB 3.48Å; Q228-R232 PolarHBondContact O-N 2.89Å
229	E	97.5	Very high	92.3	Very high	87 Å²	87	61.9 Å²	61.9	41%	0.407	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-46	177.1	-172.4	57.1	-134.9	0	0	112.2	S225 D226 I227 R232 T233	S225-E229 PolarHBondContact O-N 2.95Å; D226-E229 PolarHBondContact O-N 3.42Å; I227-E229 VanDerWaalsContact C-N 3.3Å; I227-E229 PolarHBondContact O-N 2.74Å; E229-R232 PolarHBondContact O-N 3.32Å; E229-R232 IonicContact OE1-CZ 3.64Å; E229-R232 IonicContact OE1-NE 3.76Å; E229-R232 PolarHBondContact OE1-NE 2.88Å; E229-R232 IonicContact OE1-NH2 3.09Å; E229-R232 PolarHBondContact OE1-NH2 2.95Å; E229-R232 IonicContact OE2-CZ 3.35Å; E229-R232 IonicContact OE2-NE 3.13Å; E229-R232 IonicContact OE2-NH1 3.48Å; E229-R232 IonicContact OE2-NH2 2.61Å; E229-R232 PolarHBondContact OE2-NH2 3.45Å; E229-T233 WeakPolarHBondContact O-CB 3.33Å; E229-T233 PolarHBondContact O-N 3.31Å; E229-T233 PolarHBondContact O-OG1 2.89Å
230	L	97.2	Very high	92.4	Very high	49 Å²	49	60.3 Å²	60.3	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-47.2	177.8	-76.1	172.5	0	0	0	112	L212 I214 D226 I227 R232 T233 K234	L212-L230 HydrophobicContact CD1-CB 4.17Å; I214-L230 HydrophobicContact CG1-CD1 3.76Å; D226-L230 WeakPolarHBondContact O-CB 3.3Å; D226-L230 WeakPolarHBondContact O-CG 3.35Å; D226-L230 PolarHBondContact O-N 3.23Å; I227-L230 PolarHBondContact O-N 3.32Å; L230-R232 PolarHBondContact O-N 3.25Å; L230-T233 PolarHBondContact O-N 3.18Å; L230-K234 WeakPolarHBondContact O-CB 3.31Å; L230-K234 PolarHBondContact O-N 3.25Å
231	V	95.6	Very high	92.5	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-43.8	177.7	170.5	0	0	0	0	110.7	I20 L22 Y43 L127 I227 T233 K234 L235	I20-V231 HydrophobicContact CD1-CG1 4.27Å; L22-V231 HydrophobicContact CD1-CG2 4.09Å; L22-V231 HydrophobicContact CD2-CG2 4.44Å; Y43-V231 HydrophobicContact CE1-CG1 4.21Å; Y43-V231 HydrophobicContact CE2-CG1 4.24Å; L127-V231 HydrophobicContact CD2-CG1 4.13Å; I227-V231 HydrophobicContact CG2-CG2 4.21Å; I227-V231 WeakPolarHBondContact O-CB 3.43Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.39Å; I227-V231 PolarHBondContact O-N 3.01Å; V231-T233 PolarHBondContact O-N 3.49Å; V231-K234 PolarHBondContact O-N 3.15Å; V231-L235 HydrophobicContact CG1-CD1 3.97Å; V231-L235 WeakPolarHBondContact O-CG 3.36Å; V231-L235 PolarHBondContact O-N 3.3Å
232	R	94.1	Very high	92.5	Very high	115 Å²	115	57.8 Å²	57.8	43%	0.434	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.9	-176.2	-177.8	71.9	-177.5	5.7	112	Q228 E229 L230 L235 A236	Q228-R232 VanDerWaalsContact O-CB 3.3Å; Q228-R232 WeakPolarHBondContact O-CB 3.48Å; Q228-R232 PolarHBondContact O-N 2.89Å; E229-R232 PolarHBondContact O-N 3.32Å; E229-R232 IonicContact OE1-CZ 3.64Å; E229-R232 IonicContact OE1-NE 3.76Å; E229-R232 PolarHBondContact OE1-NE 2.88Å; E229-R232 IonicContact OE1-NH2 3.09Å; E229-R232 PolarHBondContact OE1-NH2 2.95Å; E229-R232 IonicContact OE2-CZ 3.35Å; E229-R232 IonicContact OE2-NE 3.13Å; E229-R232 IonicContact OE2-NH1 3.48Å; E229-R232 IonicContact OE2-NH2 2.61Å; E229-R232 PolarHBondContact OE2-NH2 3.45Å; L230-R232 PolarHBondContact O-N 3.25Å; R232-L235 PolarHBondContact O-N 2.82Å; R232-A236 PolarHBondContact O-N 3.4Å
233	T	94.7	Very high	92.2	Very high	64 Å²	64	56.5 Å²	56.5	39%	0.393	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-47	178.4	-57.7	0	0	0	0	110.3	E229 L230 V231 L235 A236 E237	E229-T233 WeakPolarHBondContact O-CB 3.33Å; E229-T233 PolarHBondContact O-N 3.31Å; E229-T233 PolarHBondContact O-OG1 2.89Å; L230-T233 PolarHBondContact O-N 3.18Å; V231-T233 PolarHBondContact O-N 3.49Å; T233-L235 PolarHBondContact O-N 3.42Å; T233-A236 WeakPolarHBondContact O-CB 3.49Å; T233-A236 PolarHBondContact O-N 2.82Å; T233-E237 PolarHBondContact O-N 3.36Å
234	K	94.2	Very high	92	Very high	17 Å²	17	59.8 Å²	59.8	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-42.1	179.1	-161.9	72.9	-169.4	162.3	0	113	L127 N209 L212 L230 V231 A236 E237	L127-K234 HydrophobicContact CD1-CB 4.04Å; L127-K234 HydrophobicContact CD1-CG 3.56Å; L127-K234 HydrophobicContact CG-CB 4.3Å; L127-K234 HydrophobicContact CG-CG 3.89Å; N209-K234 WeakPolarHBondContact O-CE 3.32Å; N209-K234 PolarHBondContact O-NZ 3.43Å; L212-K234 HydrophobicContact CD1-CB 4.25Å; L212-K234 HydrophobicContact CD1-CD 4.27Å; L212-K234 HydrophobicContact CD1-CG 4.43Å; L212-K234 HydrophobicContact CD2-CD 4.41Å; L230-K234 WeakPolarHBondContact O-CB 3.31Å; L230-K234 PolarHBondContact O-N 3.25Å; V231-K234 PolarHBondContact O-N 3.15Å; K234-A236 PolarHBondContact O-N 2.92Å; K234-E237 WeakPolarHBondContact CD-OE2 3.44Å; K234-E237 IonicContact NZ-OE2 2.86Å; K234-E237 PolarHBondContact NZ-OE2 3.29Å; K234-E237 WeakPolarHBondContact O-CB 3.27Å; K234-E237 PolarHBondContact O-N 2.94Å; K234-E237 VanDerWaalsContact O-N 3.15Å
235	L	92.1	Very high	91.6	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-23.4	175.8	-75.4	168.6	0	0	0	113.8	K18 I20 L127 V231 R232 T233	K18-L235 HydrophobicContact CB-CD2 4.37Å; K18-L235 HydrophobicContact CD-CD2 4.08Å; I20-L235 HydrophobicContact CD1-CD1 3.96Å; I20-L235 HydrophobicContact CG1-CD1 4.23Å; I20-L235 HydrophobicContact CG1-CD2 4.37Å; L127-L235 HydrophobicContact CD1-CD2 3.93Å; L127-L235 HydrophobicContact CD1-CG 4.23Å; L127-L235 HydrophobicContact CD2-CD2 3.86Å; L127-L235 HydrophobicContact CD2-CG 3.85Å; V231-L235 HydrophobicContact CG1-CD1 3.97Å; V231-L235 WeakPolarHBondContact O-CG 3.36Å; V231-L235 PolarHBondContact O-N 3.3Å; R232-L235 PolarHBondContact O-N 2.82Å; T233-L235 PolarHBondContact O-N 3.42Å
236	A	90.7	Very high	91.1	Very high	55 Å²	55	62.6 Å²	62.6	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-81.7	-26.9	176.2	0	0	0	0	0	112.6	R232 T233 K234	R232-A236 PolarHBondContact O-N 3.4Å; T233-A236 WeakPolarHBondContact O-CB 3.49Å; T233-A236 PolarHBondContact O-N 2.82Å; K234-A236 PolarHBondContact O-N 2.92Å
237	E	88.4	Confident	90.6	Very high	108 Å²	108	64.7 Å²	64.7	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-71.1	-26.6	175.1	-66.7	172.6	-170.4	0	0	113.1	T233 K234 K239	T233-E237 PolarHBondContact O-N 3.36Å; K234-E237 WeakPolarHBondContact CD-OE2 3.44Å; K234-E237 IonicContact NZ-OE2 2.86Å; K234-E237 PolarHBondContact NZ-OE2 3.29Å; K234-E237 WeakPolarHBondContact O-CB 3.27Å; K234-E237 PolarHBondContact O-N 2.94Å; K234-E237 VanDerWaalsContact O-N 3.15Å; E237-K239 PolarHBondContact O-N 3.09Å
238	E	78	Confident	89.9	Confident	83 Å²	83	70.1 Å²	70.1	39%	0.388	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	14.8	176.4	-62.9	-175.3	166.4	0	0	113.9	H125 L127	H125-E238 IonicContact CD2-OE1 3.48Å; H125-E238 PolarHBondContact CD2-OE1 3.26Å; H125-E238 IonicContact NE2-OE1 3.8Å; H125-E238 PolarHBondContact NE2-OE1 2.68Å; L127-E238 HydrophobicContact CD1-CG 4.42Å; L127-E238 VanDerWaalsContact CD1-OE1 3.22Å; L127-E238 WeakPolarHBondContact CD1-OE1 3.15Å
239	K	59.4	Low	89.3	Confident	194 Å²	194	71.5 Å²	71.5	84%	0.843	35%	0.349	S	S	*	.			trans	-108.7	0	177.8	-68.3	-178	-179.7	175.5	0	110.4	E237	E237-K239 PolarHBondContact O-N 3.09Å

Retrieved 239 of 239 residues in 104.8 ms (Link to these results)

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