A0A096NLF8_PAPAN Loading...

Tudor-interacting repair regulator protein

Key regulator of TP53BP1 required to stabilize TP53BP1 and regulate its recruitment to chromatin. In absence of DNA damage, interacts with the tandem Tudor-like domain of TP53BP1, masking the region that binds histone H4 dimethylated at 'Lys-20' (H4K20me2), thereby preventing TP53BP1 recruitment to chromatin and maintaining TP53BP1 localization to the nucleus. Following DNA damage, ATM-induced phosphorylation of TP53BP1 and subsequent recruitment of RIF1 leads to dissociate NUDT16L1/TIRR from TP53BP1, unmasking the tandem Tudor-like domain and allowing recruitment of TP53BP1 to DNA double strand breaks (DSBs). Binds U8 snoRNA.

AlphaFold DB , UniProt , Accession A0A096NLF8, Species PAPAN (Papio anubis, Olive baboon), Gene NUDT16L1, Length 211 aa.

Structure Viewer

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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	41.8	Very low	71.6	Confident	238 Å²	238	101 Å²	101	100%	1.172	57%	0.566	S	S	*	*				0	118.1	0	-62.4	-178.5	-152.6	0	0	106.1	T3	M1-T3 PolarHBondContact O-N 3.18Å
2	S	39.9	Very low	73.8	Confident	123 Å²	123	94.8 Å²	94.8	86%	0.86	53%	0.53	S	S	*	.			trans	-67	115	177	-171.5	0	0	0	0	107.7	A4	S2-A4 PolarHBondContact O-N 2.84Å; S2-A4 VanDerWaalsContact O-N 3.13Å
3	T	51.1	Low	75.7	Confident	125 Å²	125	91.5 Å²	91.5	77%	0.767	52%	0.517	S	S	*	.			trans	-67	108.8	172.1	46.7	0	0	0	0	106.8	M1 A5	M1-T3 PolarHBondContact O-N 3.18Å; T3-A5 PolarHBondContact O-N 2.72Å
4	A	58.8	Low	77.3	Confident	30 Å²	30	88.8 Å²	88.8	25%	0.248	50%	0.495	C	S	.	.			trans	-59.1	111.9	173	0	0	0	0	0	107.8	S2 A193	S2-A4 PolarHBondContact O-N 2.84Å; S2-A4 VanDerWaalsContact O-N 3.13Å; A4-A193 HydrophobicContact CB-CB 4.09Å
5	A	71.9	Confident	78.7	Confident	87 Å²	87	88.8 Å²	88.8	72%	0.719	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-63.2	139.6	174.2	0	0	0	0	0	108.7	T3	T3-A5 PolarHBondContact O-N 2.72Å
6	V	77.8	Confident	79.9	Confident	28 Å²	28	89.8 Å²	89.8	17%	0.17	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-62.2	127	172.3	176.5	0	0	0	0	107.3	E8 L174 L188 A189	V6-E8 PolarHBondContact O-N 2.88Å; V6-L174 HydrophobicContact CG1-CB 3.82Å; V6-L174 HydrophobicContact CG1-CD1 3.94Å; V6-L174 HydrophobicContact CG1-CG 4.49Å; V6-L188 HydrophobicContact CG2-CB 4.48Å; V6-A189 HydrophobicContact CG2-CB 4.46Å
7	P	79.5	Confident	81	Confident	51 Å²	51	84.5 Å²	84.5	33%	0.331	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-64.7	125.6	179.3	25.7	-34.2	0	0	0	109.2	L174 L192	P7-L174 HydrophobicContact CG-CD1 4.21Å; P7-L192 HydrophobicContact CG-CD2 4.44Å
8	E	85.7	Confident	81.9	Confident	143 Å²	143	82.7 Å²	82.7	67%	0.668	46%	0.456	S	S	*	.			trans	-117.6	127.4	-179.6	-71.4	-173.1	168.6	0	0	109.7	V6	V6-E8 PolarHBondContact O-N 2.88Å
9	L	90	Very high	82.7	Confident	14 Å²	14	88.8 Å²	88.8	7%	0.073	47%	0.472	C	S	.	.			trans	-84.5	152	169.8	-67.4	177.3	0	0	0	109.6	Q11 H100 E103 T168 C171	L9-Q11 PolarHBondContact O-N 2.92Å; L9-H100 HydrophobicContact CB-CB 3.81Å; L9-H100 HydrophobicContact CD1-CB 4.13Å; L9-H100 PolarHBondContact O-CD2 2.87Å; L9-E103 HydrophobicContact CD2-CG 3.69Å; L9-T168 HydrophobicContact CD1-CG2 3.73Å; L9-C171 HydrophobicContact CD1-CB 4.11Å; L9-C171 HydrophobicContact CG-CB 4.02Å
10	K	94.6	Very high	83.5	Confident	156 Å²	156	86.3 Å²	86.3	68%	0.678	46%	0.458	S	S	*	.			trans	-62.9	112.3	176.1	-179.6	171.5	174.7	-177.8	0	110.2	H100 L101	K10-H100 WeakPolarHBondContact O-CA 3.49Å; K10-L101 HydrophobicContact CB-CB 4.45Å; K10-L101 HydrophobicContact CD-CD1 4.03Å; K10-L101 HydrophobicContact CG-CD1 4.24Å; K10-L101 PolarHBondContact O-N 3.3Å
11	Q	96.7	Very high	84	Confident	116 Å²	116	84 Å²	84	54%	0.542	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.2	176.1	-160.3	175.4	-6.7	0	0	110.9	L9 S99	L9-Q11 PolarHBondContact O-N 2.92Å; Q11-S99 WeakPolarHBondContact CA-O 3.32Å; Q11-S99 WeakPolarHBondContact CG-O 3.35Å
12	I	98.2	Very high	86.5	Confident	26 Å²	26	79.7 Å²	79.7	13%	0.133	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.7	174.4	-176	169.8	0	0	0	108.4	E16 A17 L20 S99 L101 V109	I12-E16 HydrophobicContact CD1-CB 3.86Å; I12-E16 HydrophobicContact CG1-CB 3.64Å; I12-A17 HydrophobicContact CD1-CB 4.4Å; I12-A17 HydrophobicContact CG1-CB 4.49Å; I12-A17 HydrophobicContact CG2-CB 4.13Å; I12-L20 HydrophobicContact CD1-CD1 4.3Å; I12-L20 HydrophobicContact CD1-CD2 4.39Å; I12-L20 HydrophobicContact CD1-CG 4.5Å; I12-S99 PolarHBondContact N-O 2.87Å; I12-S99 WeakPolarHBondContact O-CB 3.39Å; I12-L101 HydrophobicContact CB-CD2 4.4Å; I12-L101 HydrophobicContact CB-CG 4.36Å; I12-L101 HydrophobicContact CD1-CD2 4.15Å; I12-L101 HydrophobicContact CG2-CD2 3.89Å; I12-L101 HydrophobicContact CG2-CG 4.14Å; I12-V109 HydrophobicContact CG2-CG2 3.97Å
13	S	98.3	Very high	89.1	Confident	52 Å²	52	76.4 Å²	76.4	36%	0.364	43%	0.43	S	S	.	.			trans	-67.5	155.9	176.3	70.3	0	0	0	0	111.3	V15 E16 A17	S13-V15 VanDerWaalsContact C-N 3.28Å; S13-V15 PolarHBondContact O-N 3.01Å; S13-E16 VanDerWaalsContact CB-OE2 3.31Å; S13-E16 WeakPolarHBondContact CB-OE2 3.49Å; S13-E16 PolarHBondContact N-OE2 3.13Å; S13-E16 VanDerWaalsContact N-OE2 3.14Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E16 VanDerWaalsContact OG-CB 3.3Å; S13-E16 WeakPolarHBondContact OG-CB 3.31Å; S13-E16 WeakPolarHBondContact OG-CG 3.28Å; S13-E16 PolarHBondContact OG-N 3.18Å; S13-E16 VanDerWaalsContact OG-N 3.13Å; S13-E16 PolarHBondContact OG-OE2 3.13Å; S13-A17 WeakPolarHBondContact O-CB 3.43Å; S13-A17 PolarHBondContact O-N 3.31Å
14	R	98.3	Very high	91.3	Very high	54 Å²	54	73.6 Å²	73.6	20%	0.204	41%	0.406	C	S	.	.	H	α-helix	trans	-55.1	-44.9	173.9	-173.2	174.9	168.4	141.1	3.1	111.5	A17 M18 E75 E93 Y96	R14-A17 PolarHBondContact O-N 3.34Å; R14-M18 VanDerWaalsContact O-CG 3.3Å; R14-M18 WeakPolarHBondContact O-CG 3.46Å; R14-M18 PolarHBondContact O-N 2.8Å; R14-E75 IonicContact CZ-OE1 3.7Å; R14-E75 VanDerWaalsContact CZ-OE1 3.23Å; R14-E75 IonicContact NH1-OE1 2.9Å; R14-E75 PolarHBondContact NH1-OE1 3.49Å; R14-E75 VanDerWaalsContact NH2-CD 3.29Å; R14-E75 IonicContact NH2-OE1 3.73Å; R14-E75 PolarHBondContact NH2-OE1 3.14Å; R14-E75 IonicContact NH2-OE2 3.2Å; R14-E75 PolarHBondContact NH2-OE2 3.27Å; R14-E93 IonicContact NH2-OE1 3.14Å; R14-E93 PolarHBondContact NH2-OE1 3.09Å; R14-Y96 HydrophobicContact CB-CE1 3.96Å; R14-Y96 HydrophobicContact CB-CE2 4.38Å; R14-Y96 HydrophobicContact CG-CE1 4.48Å; R14-Y96 HydrophobicContact CG-CE2 4.31Å
15	V	97.9	Very high	93.1	Very high	89 Å²	89	75 Å²	75	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-45.4	-178.1	177.7	0	0	0	0	111.4	S13 M18 R19	S13-V15 VanDerWaalsContact C-N 3.28Å; S13-V15 PolarHBondContact O-N 3.01Å; V15-M18 PolarHBondContact O-N 3.28Å; V15-R19 WeakPolarHBondContact O-CG 3.08Å; V15-R19 PolarHBondContact O-N 2.99Å
16	E	98.4	Very high	94.4	Very high	105 Å²	105	71.2 Å²	71.2	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177	-69.2	162.7	145.1	0	0	111.6	I12 S13 M18 R19 L20	I12-E16 HydrophobicContact CD1-CB 3.86Å; I12-E16 HydrophobicContact CG1-CB 3.64Å; S13-E16 VanDerWaalsContact CB-OE2 3.31Å; S13-E16 WeakPolarHBondContact CB-OE2 3.49Å; S13-E16 PolarHBondContact N-OE2 3.13Å; S13-E16 VanDerWaalsContact N-OE2 3.14Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E16 VanDerWaalsContact OG-CB 3.3Å; S13-E16 WeakPolarHBondContact OG-CB 3.31Å; S13-E16 WeakPolarHBondContact OG-CG 3.28Å; S13-E16 PolarHBondContact OG-N 3.18Å; S13-E16 VanDerWaalsContact OG-N 3.13Å; S13-E16 PolarHBondContact OG-OE2 3.13Å; E16-M18 PolarHBondContact O-N 2.98Å; E16-R19 WeakPolarHBondContact O-CB 3.48Å; E16-R19 PolarHBondContact O-N 3.49Å; E16-L20 PolarHBondContact O-N 3.36Å
17	A	97.9	Very high	95.4	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.3	-39.3	174.5	0	0	0	0	0	111.4	I12 S13 R14 R19 L20 H26 V109	I12-A17 HydrophobicContact CD1-CB 4.4Å; I12-A17 HydrophobicContact CG1-CB 4.49Å; I12-A17 HydrophobicContact CG2-CB 4.13Å; S13-A17 WeakPolarHBondContact O-CB 3.43Å; S13-A17 PolarHBondContact O-N 3.31Å; R14-A17 PolarHBondContact O-N 3.34Å; A17-R19 PolarHBondContact O-N 2.85Å; A17-L20 HydrophobicContact CB-CD1 4.48Å; A17-L20 WeakPolarHBondContact O-CB 3.5Å; A17-L20 WeakPolarHBondContact O-CG 3.37Å; A17-L20 PolarHBondContact O-N 3.01Å; A17-H26 PolarHBondContact O-CE1 2.95Å; A17-V109 HydrophobicContact CB-CG2 4.02Å
18	M	97.5	Very high	96.3	Very high	51 Å²	51	67.8 Å²	67.8	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-69.1	-20.1	177.7	-67.7	-52.2	89.7	0	0	113.8	R14 V15 E16 H26 R69 L74	R14-M18 VanDerWaalsContact O-CG 3.3Å; R14-M18 WeakPolarHBondContact O-CG 3.46Å; R14-M18 PolarHBondContact O-N 2.8Å; V15-M18 PolarHBondContact O-N 3.28Å; E16-M18 PolarHBondContact O-N 2.98Å; M18-H26 VanDerWaalsContact CE-CE1 3.5Å; M18-H26 WeakPolarHBondContact CE-CE1 3.17Å; M18-R69 PolarHBondContact O-NH1 3.3Å; M18-R69 PolarHBondContact O-NH2 3.44Å; M18-R69 VanDerWaalsContact SD-CZ 3.53Å; M18-R69 PolarHBondContact SD-NE 2.8Å; M18-R69 VanDerWaalsContact SD-NE 3.44Å; M18-R69 PolarHBondContact SD-NH2 3.4Å; M18-L74 HydrophobicContact CE-CD1 3.69Å; M18-L74 HydrophobicContact CE-CD2 4.07Å; M18-L74 HydrophobicContact CE-CG 4.2Å; M18-L74 HydrophobicContact SD-CD1 3.96Å; M18-L74 HydrophobicContact SD-CD2 4.34Å; M18-L74 HydrophobicContact SD-CG 4.11Å
19	R	97.7	Very high	96.9	Very high	200 Å²	200	62.4 Å²	62.4	76%	0.755	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.2	175.4	-67.6	173.5	176.7	173.8	-0.8	113.6	V15 E16 A17	V15-R19 WeakPolarHBondContact O-CG 3.08Å; V15-R19 PolarHBondContact O-N 2.99Å; E16-R19 WeakPolarHBondContact O-CB 3.48Å; E16-R19 PolarHBondContact O-N 3.49Å; A17-R19 PolarHBondContact O-N 2.85Å
20	L	97.2	Very high	97.3	Very high	38 Å²	38	61.7 Å²	61.7	20%	0.199	33%	0.331	C	S	.	.	S	Bend	trans	-60.9	139	175.4	-65.1	173.4	0	0	0	110.5	I12 E16 A17 W24 L101 V109	I12-L20 HydrophobicContact CD1-CD1 4.3Å; I12-L20 HydrophobicContact CD1-CD2 4.39Å; I12-L20 HydrophobicContact CD1-CG 4.5Å; E16-L20 PolarHBondContact O-N 3.36Å; A17-L20 HydrophobicContact CB-CD1 4.48Å; A17-L20 WeakPolarHBondContact O-CB 3.5Å; A17-L20 WeakPolarHBondContact O-CG 3.37Å; A17-L20 PolarHBondContact O-N 3.01Å; L20-W24 HydrophobicContact CB-CB 3.93Å; L20-W24 HydrophobicContact CB-CD2 4.38Å; L20-W24 HydrophobicContact CB-CG 3.77Å; L20-W24 HydrophobicContact CD1-CB 4.35Å; L20-W24 HydrophobicContact CD1-CD2 3.83Å; L20-W24 HydrophobicContact CD1-CE3 3.93Å; L20-W24 HydrophobicContact CD1-CG 4.04Å; L20-W24 HydrophobicContact CD2-CD2 4.23Å; L20-W24 HydrophobicContact CD2-CG 4.38Å; L20-W24 HydrophobicContact CD2-CZ2 4.44Å; L20-W24 HydrophobicContact CG-CD2 4.37Å; L20-W24 HydrophobicContact CG-CG 4.28Å; L20-L101 HydrophobicContact CD1-CD2 4.34Å; L20-V109 HydrophobicContact CD1-CB 4.18Å; L20-V109 HydrophobicContact CD1-CG1 4.08Å
21	G	94.9	Very high	97.5	Very high	39 Å²	39	54.3 Å²	54.3	40%	0.402	30%	0.299	S	S	.	.			trans	-68.7	171.8	-178.2	0	0	0	0	0	113.7	G23 W24	G21-G23 PolarHBondContact O-N 3.15Å; G21-W24 WeakPolarHBondContact O-CB 3.48Å; G21-W24 PolarHBondContact O-N 3.05Å
22	P	93.4	Very high	97.6	Very high	146 Å²	146	48.8 Å²	48.8	95%	0.948	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	-172.7	26.5	-36	0	0	0	114.9	W24	P22-W24 PolarHBondContact O-N 3.21Å
23	G	95.1	Very high	97.6	Very high	54 Å²	54	48.6 Å²	48.6	56%	0.557	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	3.9	172.7	0	0	0	0	0	114.6	G21	G21-G23 PolarHBondContact O-N 3.15Å
24	W	97.6	Very high	97.6	Very high	66 Å²	66	46.1 Å²	46.1	25%	0.25	25%	0.253	C	S	.	.			trans	-104.9	125.1	174.2	-75.2	84.5	0	0	0	110.8	L20 G21 P22 H26 L101 R107	L20-W24 HydrophobicContact CB-CB 3.93Å; L20-W24 HydrophobicContact CB-CD2 4.38Å; L20-W24 HydrophobicContact CB-CG 3.77Å; L20-W24 HydrophobicContact CD1-CB 4.35Å; L20-W24 HydrophobicContact CD1-CD2 3.83Å; L20-W24 HydrophobicContact CD1-CE3 3.93Å; L20-W24 HydrophobicContact CD1-CG 4.04Å; L20-W24 HydrophobicContact CD2-CD2 4.23Å; L20-W24 HydrophobicContact CD2-CG 4.38Å; L20-W24 HydrophobicContact CD2-CZ2 4.44Å; L20-W24 HydrophobicContact CG-CD2 4.37Å; L20-W24 HydrophobicContact CG-CG 4.28Å; G21-W24 WeakPolarHBondContact O-CB 3.48Å; G21-W24 PolarHBondContact O-N 3.05Å; P22-W24 PolarHBondContact O-N 3.21Å; W24-H26 PolarHBondContact O-CD2 3.32Å; W24-L101 HydrophobicContact CE3-CD2 4.42Å; W24-L101 HydrophobicContact CH2-CD2 3.96Å; W24-L101 HydrophobicContact CZ3-CD2 3.67Å; W24-R107 WeakPolarHBondContact CA-O 3.49Å; W24-R107 HydrophobicContact CD2-CB 3.69Å; W24-R107 HydrophobicContact CD2-CG 4.47Å; W24-R107 HydrophobicContact CE3-CB 3.72Å; W24-R107 HydrophobicContact CG-CB 4.19Å; W24-R107 HydrophobicContact CH2-CB 4.25Å; W24-R107 HydrophobicContact CH2-CG 4.4Å; W24-R107 HydrophobicContact CZ2-CB 4.25Å; W24-R107 HydrophobicContact CZ2-CG 4.21Å; W24-R107 HydrophobicContact CZ3-CB 3.99Å
25	S	97.5	Very high	97.7	Very high	60 Å²	60	45.9 Å²	45.9	42%	0.42	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	144.9	171.2	-60	0	0	0	0	110.3	R107 V108 V109	S25-R107 PolarHBondContact N-O 2.97Å; S25-V108 WeakPolarHBondContact O-CA 3.33Å; S25-V109 PolarHBondContact O-N 2.82Å
26	H	98.2	Very high	97.7	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.032	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.9	177.1	-69.6	-106.5	0	0	0	109.4	A17 M18 W24 F66 V67 R69 L74 V109 H111	A17-H26 PolarHBondContact O-CE1 2.95Å; M18-H26 VanDerWaalsContact CE-CE1 3.5Å; M18-H26 WeakPolarHBondContact CE-CE1 3.17Å; W24-H26 PolarHBondContact O-CD2 3.32Å; H26-F66 CarbonylContact O-C 3.59Å; H26-F66 WeakPolarHBondContact O-CA 3.43Å; H26-F66 WeakPolarHBondContact O-CD1 3.47Å; H26-V67 PolarHBondContact O-N 2.99Å; H26-R69 HydrophobicContact CB-CG 4.19Å; H26-R69 WeakPolarHBondContact CD2-CD 3.44Å; H26-R69 VanDerWaalsContact CE1-CD 3.45Å; H26-R69 WeakPolarHBondContact CE1-CD 3.41Å; H26-R69 PolarHBondContact CE1-NH1 2.93Å; H26-R69 VanDerWaalsContact CE1-NH1 3.29Å; H26-R69 WeakPolarHBondContact ND1-CD 3.41Å; H26-R69 VanDerWaalsContact NE2-CD 3.34Å; H26-R69 WeakPolarHBondContact NE2-CD 3.38Å; H26-R69 PolarHBondContact NE2-NH1 3.42Å; H26-L74 HydrophobicContact CB-CD2 4.43Å; H26-V109 HydrophobicContact CB-CG1 4.34Å; H26-V109 WeakPolarHBondContact CE1-CG1 3.35Å; H26-V109 WeakPolarHBondContact ND1-CG1 3.36Å; H26-H111 AromaticContact CE1-NE2 3.85Å; H26-H111 AromaticContact CG-NE2 3.82Å; H26-H111 AromaticContact ND1-CD2 3.92Å; H26-H111 AromaticContact ND1-CE1 3.84Å; H26-H111 AromaticContact ND1-NE2 2.9Å; H26-H111 PolarHBondContact ND1-NE2 3.37Å
27	S	97.9	Very high	97.7	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.5	170.9	62.7	0	0	0	0	109.7	G65 V109 A110 H111	S27-G65 CarbonylContact C-O 3.59Å; S27-G65 VanDerWaalsContact CA-O 3.3Å; S27-G65 WeakPolarHBondContact CA-O 3.23Å; S27-V109 PolarHBondContact N-O 3.13Å; S27-V109 PolarHBondContact OG-O 3.28Å; S27-A110 WeakPolarHBondContact OG-CA 3.47Å; S27-H111 WeakPolarHBondContact O-CB 3.3Å; S27-H111 PolarHBondContact O-CD2 2.9Å; S27-H111 PolarHBondContact O-N 2.98Å
28	C	98.5	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.1	176.7	-61.3	0	0	0	0	108.6	G64 G65 V67 L78 H111 Y113	C28-G64 CarbonylContact O-C 3.55Å; C28-G64 VanDerWaalsContact O-CA 3.31Å; C28-G64 WeakPolarHBondContact O-CA 3.47Å; C28-G65 PolarHBondContact N-O 3.46Å; C28-G65 PolarHBondContact O-N 3.46Å; C28-V67 HydrophobicContact CB-CG2 3.91Å; C28-L78 HydrophobicContact CB-CB 3.79Å; C28-L78 HydrophobicContact CB-CD1 3.92Å; C28-L78 HydrophobicContact CB-CD2 4.28Å; C28-L78 HydrophobicContact CB-CG 4.22Å; C28-L78 WeakPolarHBondContact O-CD1 3.12Å; C28-H111 WeakPolarHBondContact CA-O 3.33Å; C28-H111 HydrophobicContact CB-CB 4.5Å; C28-Y113 HydrophobicContact CB-CE2 4.2Å
29	H	98.4	Very high	97.7	Very high	30 Å²	30	46.8 Å²	46.8	14%	0.139	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.3	178.3	-54.6	91	0	0	0	111.2	F62 P63 H111 Y113	H29-F62 HydrophobicContact CB-CB 3.79Å; H29-P63 CarbonylContact C-O 3.6Å; H29-P63 VanDerWaalsContact CA-O 3.29Å; H29-P63 WeakPolarHBondContact CA-O 3.5Å; H29-H111 PolarHBondContact N-O 3.36Å; H29-Y113 PolarHBondContact O-N 3.07Å
30	A	98.6	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.6	-176.7	0	0	0	0	0	112.4	L32 P63 L82 L91 Y113	A30-L32 HydrophobicContact CB-CD2 4.29Å; A30-P63 PolarHBondContact N-O 2.98Å; A30-L82 HydrophobicContact CB-CD1 3.93Å; A30-L82 HydrophobicContact CB-CD2 4.19Å; A30-L91 HydrophobicContact CB-CD1 3.51Å; A30-Y113 CarbonylContact C-O 3.56Å; A30-Y113 WeakPolarHBondContact CA-O 3.5Å
31	M	98.8	Very high	97.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.2	164.1	-179.7	179.9	171.8	0	0	109.2	Y33 V50 F62 L112 Y113 A114 R115 A176 L177 L180 M182	M31-Y33 HydrophobicContact CE-CD1 4.43Å; M31-Y33 HydrophobicContact CE-CG 4.48Å; M31-V50 HydrophobicContact CE-CB 4.34Å; M31-V50 HydrophobicContact CE-CG1 3.76Å; M31-V50 HydrophobicContact CE-CG2 3.57Å; M31-V50 HydrophobicContact CG-CG1 3.78Å; M31-V50 HydrophobicContact SD-CG1 4.41Å; M31-F62 HydrophobicContact CB-CD1 4.29Å; M31-F62 HydrophobicContact CB-CE1 3.88Å; M31-F62 HydrophobicContact CB-CZ 4.17Å; M31-F62 HydrophobicContact CG-CE1 3.87Å; M31-F62 HydrophobicContact CG-CZ 4.17Å; M31-F62 HydrophobicContact SD-CZ 4.43Å; M31-L112 HydrophobicContact CB-CD1 4.44Å; M31-Y113 PolarHBondContact N-O 3.17Å; M31-A114 HydrophobicContact CB-CB 4.33Å; M31-A114 WeakPolarHBondContact O-CA 3.43Å; M31-R115 PolarHBondContact O-N 2.95Å; M31-A176 HydrophobicContact CE-CB 4.35Å; M31-A176 HydrophobicContact SD-CB 3.29Å; M31-A176 WeakPolarHBondContact SD-CB 3.43Å; M31-L177 HydrophobicContact CE-CD2 4.07Å; M31-L180 HydrophobicContact CE-CD1 4.45Å; M31-L180 HydrophobicContact SD-CD1 4.27Å; M31-M182 HydrophobicContact CE-CE 4Å; M31-M182 HydrophobicContact CE-SD 3.58Å; M31-M182 VanDerWaalsContact CE-SD 3.58Å
32	L	98.8	Very high	97.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.4	173.6	-52.8	179	0	0	0	108.7	A30 V50 L51 L86 L89 R115 L117 L122 V125	A30-L32 HydrophobicContact CB-CD2 4.29Å; L32-V50 WeakPolarHBondContact O-CA 3.39Å; L32-L51 HydrophobicContact CB-CD1 4.42Å; L32-L51 PolarHBondContact O-N 3.13Å; L32-L86 HydrophobicContact CD1-CD1 3.65Å; L32-L89 HydrophobicContact CD1-CD2 3.31Å; L32-L89 HydrophobicContact CD2-CD2 3.58Å; L32-L89 HydrophobicContact CG-CD2 4.07Å; L32-R115 HydrophobicContact CD2-CB 4.1Å; L32-L117 HydrophobicContact CB-CD1 4.39Å; L32-L122 HydrophobicContact CB-CD1 3.86Å; L32-V125 HydrophobicContact CD1-CG1 4.05Å
33	Y	98.9	Very high	98.1	Very high	21 Å²	21	44.5 Å²	44.5	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.7	-177	72.4	-81.3	0	0	0	112.7	M31 F48 S49 A114 R115 Q116 L117 L180 M182	M31-Y33 HydrophobicContact CE-CD1 4.43Å; M31-Y33 HydrophobicContact CE-CG 4.48Å; Y33-F48 HydrophobicContact CD2-CD1 4.22Å; Y33-S49 CarbonylContact C-O 3.59Å; Y33-S49 WeakPolarHBondContact CA-O 3.23Å; Y33-S49 WeakPolarHBondContact CB-O 3.25Å; Y33-A114 HydrophobicContact CE1-CB 4.45Å; Y33-R115 WeakPolarHBondContact CD1-O 3.22Å; Y33-R115 PolarHBondContact N-O 3Å; Y33-Q116 HydrophobicContact CD2-CB 4.46Å; Y33-Q116 HydrophobicContact CD2-CG 4.16Å; Y33-Q116 HydrophobicContact CE1-CB 4.02Å; Y33-Q116 HydrophobicContact CE2-CB 3.78Å; Y33-Q116 HydrophobicContact CE2-CG 3.63Å; Y33-Q116 CarbonylContact O-C 3.55Å; Y33-Q116 WeakPolarHBondContact O-CA 3.24Å; Y33-Q116 PolarHBondContact OH-OE1 3.42Å; Y33-L117 PolarHBondContact O-N 2.77Å; Y33-L180 HydrophobicContact CE1-CD1 3.83Å; Y33-M182 HydrophobicContact CD2-CE 3.47Å; Y33-M182 VanDerWaalsContact CD2-CE 3.47Å; Y33-M182 HydrophobicContact CD2-SD 3.79Å; Y33-M182 HydrophobicContact CE2-CE 4.13Å; Y33-M182 HydrophobicContact CE2-SD 3.92Å; Y33-M182 HydrophobicContact CG-CE 3.86Å; Y33-M182 HydrophobicContact CG-SD 4.13Å
34	A	98.9	Very high	98.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.7	175.4	0	0	0	0	0	111.2	F48 S49 L117 L119 L122	A34-F48 CarbonylContact O-C 3.47Å; A34-F48 VanDerWaalsContact O-CA 3.23Å; A34-F48 WeakPolarHBondContact O-CA 3.38Å; A34-F48 WeakPolarHBondContact O-CB 3.48Å; A34-S49 PolarHBondContact N-O 3.21Å; A34-S49 PolarHBondContact O-N 3.3Å; A34-L117 WeakPolarHBondContact CA-O 3.31Å; A34-L117 WeakPolarHBondContact CB-O 3.43Å; A34-L119 HydrophobicContact CB-CB 4.34Å; A34-L119 HydrophobicContact CB-CD1 4.17Å; A34-L122 HydrophobicContact CB-CB 4Å; A34-L122 HydrophobicContact CB-CD2 3.87Å; A34-L122 HydrophobicContact CB-CG 4.44Å
35	A	98.8	Very high	98.2	Very high	50 Å²	50	43.3 Å²	43.3	41%	0.413	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.1	165.3	0	0	0	0	0	109.1	F48	A35-F48 HydrophobicContact CB-CD1 4.28Å; A35-F48 HydrophobicContact CB-CE1 4.21Å
36	N	98.6	Very high	98.3	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.064	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	101.9	-177.5	-171	-22.3	0	0	0	109.8	G38 M46 R47 S49 L119	N36-G38 PolarHBondContact O-N 3.07Å; N36-G38 PolarHBondContact OD1-N 2.96Å; N36-M46 HydrophobicContact CB-CB 4.11Å; N36-M46 PolarHBondContact ND2-SD 3.32Å; N36-M46 WeakPolarHBondContact OD1-CE 3.33Å; N36-R47 PolarHBondContact N-O 3.18Å; N36-R47 PolarHBondContact O-N 3.05Å; N36-S49 PolarHBondContact ND2-OG 3.29Å; N36-L119 HydrophobicContact CB-CD1 4.25Å; N36-L119 HydrophobicContact CB-CD2 4.42Å
37	P	98.2	Very high	98.3	Very high	119 Å²	119	47.6 Å²	47.6	77%	0.773	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	-9.4	-178.5	32.2	-35.7	0	0	0	113
38	G	98	Very high	98.3	Very high	25 Å²	25	49.3 Å²	49.3	26%	0.258	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	160.6	-177.5	0	0	0	0	0	112.8	N36 M46	N36-G38 PolarHBondContact O-N 3.07Å; N36-G38 PolarHBondContact OD1-N 2.96Å; G38-M46 VanDerWaalsContact CA-CE 3.41Å; G38-M46 WeakPolarHBondContact O-CB 3.38Å; G38-M46 PolarHBondContact O-N 3.17Å
39	Q	98.3	Very high	98.3	Very high	107 Å²	107	49.6 Å²	49.6	50%	0.5	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.6	179.5	-59.2	-174.5	5.4	0	0	110.1	F41 G42 I44	Q39-F41 PolarHBondContact O-N 3.19Å; Q39-G42 PolarHBondContact O-N 2.96Å; Q39-G42 VanDerWaalsContact OE1-C 3.31Å; Q39-G42 PolarHBondContact OE1-O 3.18Å; Q39-I44 CarbonylContact C-O 3.58Å; Q39-I44 VanDerWaalsContact CA-O 3.28Å; Q39-I44 WeakPolarHBondContact CA-O 3.4Å
40	L	97.9	Very high	98.3	Very high	42 Å²	42	48.1 Å²	48.1	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.3	171.7	179.8	70.3	0	0	0	109.2	G42 R43 I44 Y148	L40-G42 PolarHBondContact O-N 3.43Å; L40-G42 VanDerWaalsContact O-N 3.13Å; L40-R43 PolarHBondContact O-N 3.03Å; L40-I44 HydrophobicContact CB-CB 4.23Å; L40-I44 PolarHBondContact N-O 2.75Å; L40-I44 PolarHBondContact O-N 2.92Å; L40-Y148 HydrophobicContact CD2-CD2 4.37Å; L40-Y148 HydrophobicContact CD2-CE1 4.08Å; L40-Y148 HydrophobicContact CD2-CE2 3.6Å; L40-Y148 VanDerWaalsContact CD2-CZ 3.44Å; L40-Y148 WeakPolarHBondContact CD2-OH 3.41Å
41	F	97.6	Very high	98.4	Very high	135 Å²	135	48.1 Å²	48.1	59%	0.592	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	27.4	-175.5	-47.8	-49.7	0	0	0	113.9	Q39 R43 I44	Q39-F41 PolarHBondContact O-N 3.19Å; F41-R43 HydrophobicContact CB-CG 4.36Å; F41-R43 PolarHBondContact O-N 3.49Å; F41-R43 VanDerWaalsContact O-N 3.13Å; F41-I44 HydrophobicContact CD2-CD1 4.49Å
42	G	97.6	Very high	98.4	Very high	60 Å²	60	48.1 Å²	48.1	62%	0.619	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	17	-179	0	0	0	0	0	114.9	Q39 L40	Q39-G42 PolarHBondContact O-N 2.96Å; Q39-G42 VanDerWaalsContact OE1-C 3.31Å; Q39-G42 PolarHBondContact OE1-O 3.18Å; L40-G42 PolarHBondContact O-N 3.43Å; L40-G42 VanDerWaalsContact O-N 3.13Å
43	R	97.4	Very high	98.3	Very high	139 Å²	139	48.5 Å²	48.5	53%	0.525	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147	-15.2	-174.6	70.1	-168.4	173.2	95.3	-4.7	116	L40 F41	L40-R43 PolarHBondContact O-N 3.03Å; F41-R43 HydrophobicContact CB-CG 4.36Å; F41-R43 PolarHBondContact O-N 3.49Å; F41-R43 VanDerWaalsContact O-N 3.13Å
44	I	98.2	Very high	98.3	Very high	20 Å²	20	50.6 Å²	50.6	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	105.1	-178.7	-53	-178.4	0	0	0	108.5	Q39 L40 F41 M46 Y148 Q150	Q39-I44 CarbonylContact C-O 3.58Å; Q39-I44 VanDerWaalsContact CA-O 3.28Å; Q39-I44 WeakPolarHBondContact CA-O 3.4Å; L40-I44 HydrophobicContact CB-CB 4.23Å; L40-I44 PolarHBondContact N-O 2.75Å; L40-I44 PolarHBondContact O-N 2.92Å; F41-I44 HydrophobicContact CD2-CD1 4.49Å; I44-M46 PolarHBondContact O-N 3.42Å; I44-Y148 HydrophobicContact CG2-CD2 4.04Å; I44-Y148 HydrophobicContact CG2-CG 3.79Å; I44-Q150 HydrophobicContact CD1-CG 4.07Å
45	P	98.2	Very high	98.3	Very high	74 Å²	74	52.9 Å²	52.9	48%	0.481	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	129.4	178.4	-20.7	31.3	0	0	0	111.5	R47	P45-R47 HydrophobicContact CB-CG 4.3Å
46	M	98.2	Very high	98.2	Very high	51 Å²	51	56.2 Å²	56.2	25%	0.251	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-29.9	177.7	-69.9	-171.2	-88.5	0	0	112.4	N36 G38 I44 F48	N36-M46 HydrophobicContact CB-CB 4.11Å; N36-M46 PolarHBondContact ND2-SD 3.32Å; N36-M46 WeakPolarHBondContact OD1-CE 3.33Å; G38-M46 VanDerWaalsContact CA-CE 3.41Å; G38-M46 WeakPolarHBondContact O-CB 3.38Å; G38-M46 PolarHBondContact O-N 3.17Å; I44-M46 PolarHBondContact O-N 3.42Å; M46-F48 PolarHBondContact O-N 2.92Å
47	R	98	Very high	98.2	Very high	107 Å²	107	59 Å²	59	40%	0.404	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.5	-71	179.5	-51.1	176.3	65.6	-139	-8	112.4	N36 P45 M182	N36-R47 PolarHBondContact N-O 3.18Å; N36-R47 PolarHBondContact O-N 3.05Å; P45-R47 HydrophobicContact CB-CG 4.3Å; R47-M182 VanDerWaalsContact CZ-O 3.31Å; R47-M182 PolarHBondContact NH1-O 2.91Å; R47-M182 PolarHBondContact NH2-O 3.05Å
48	F	98.8	Very high	98.2	Very high	42 Å²	42	55.3 Å²	55.3	18%	0.184	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156	175.8	-58.8	-91	0	0	0	110.7	Y33 A34 A35 M46 L147 M182	Y33-F48 HydrophobicContact CD2-CD1 4.22Å; A34-F48 CarbonylContact O-C 3.47Å; A34-F48 VanDerWaalsContact O-CA 3.23Å; A34-F48 WeakPolarHBondContact O-CA 3.38Å; A34-F48 WeakPolarHBondContact O-CB 3.48Å; A35-F48 HydrophobicContact CB-CD1 4.28Å; A35-F48 HydrophobicContact CB-CE1 4.21Å; M46-F48 PolarHBondContact O-N 2.92Å; F48-L147 HydrophobicContact CB-CD1 3.86Å; F48-M182 HydrophobicContact CB-CE 3.43Å; F48-M182 VanDerWaalsContact CB-CE 3.43Å; F48-M182 HydrophobicContact CD1-CE 3.84Å; F48-M182 HydrophobicContact CD2-CB 4.06Å; F48-M182 HydrophobicContact CD2-CE 4.02Å; F48-M182 HydrophobicContact CD2-CG 4.29Å; F48-M182 HydrophobicContact CE2-CB 4.09Å; F48-M182 HydrophobicContact CE2-CG 4.21Å; F48-M182 HydrophobicContact CG-CE 3.52Å; F48-M182 HydrophobicContact CZ-CG 4.38Å
49	S	98.8	Very high	98.2	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.8	166.1	-67.5	0	0	0	0	108.7	Y33 A34 N36 L122	Y33-S49 CarbonylContact C-O 3.59Å; Y33-S49 WeakPolarHBondContact CA-O 3.23Å; Y33-S49 WeakPolarHBondContact CB-O 3.25Å; A34-S49 PolarHBondContact N-O 3.21Å; A34-S49 PolarHBondContact O-N 3.3Å; N36-S49 PolarHBondContact ND2-OG 3.29Å; S49-L122 WeakPolarHBondContact O-CD2 3.47Å
50	V	98.9	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.8	177.8	-179.8	0	0	0	0	107.7	M31 L32 F62 R144 V145 L147 L173 L177 M182	M31-V50 HydrophobicContact CE-CB 4.34Å; M31-V50 HydrophobicContact CE-CG1 3.76Å; M31-V50 HydrophobicContact CE-CG2 3.57Å; M31-V50 HydrophobicContact CG-CG1 3.78Å; M31-V50 HydrophobicContact SD-CG1 4.41Å; L32-V50 WeakPolarHBondContact O-CA 3.39Å; V50-F62 HydrophobicContact CG1-CE1 4.1Å; V50-R144 CarbonylContact O-C 3.55Å; V50-R144 VanDerWaalsContact O-CA 3.31Å; V50-R144 WeakPolarHBondContact O-CA 3.42Å; V50-V145 HydrophobicContact CB-CB 4.01Å; V50-V145 HydrophobicContact CB-CG2 3.84Å; V50-V145 HydrophobicContact CG1-CG2 4.1Å; V50-V145 PolarHBondContact O-N 2.99Å; V50-L147 HydrophobicContact CG2-CD1 4.3Å; V50-L173 HydrophobicContact CG1-CD1 4.32Å; V50-L177 HydrophobicContact CG2-CD2 4.4Å; V50-M182 HydrophobicContact CG2-CE 3.77Å
51	L	98.8	Very high	98.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.4	174.9	-64.6	178.9	0	0	0	111.4	L32 L122 V125 E126 L142 R144	L32-L51 HydrophobicContact CB-CD1 4.42Å; L32-L51 PolarHBondContact O-N 3.13Å; L51-L122 HydrophobicContact CD1-CD1 3.61Å; L51-L122 HydrophobicContact CD1-CG 3.87Å; L51-L122 HydrophobicContact CD2-CG 4.43Å; L51-L122 HydrophobicContact CG-CD1 3.76Å; L51-L122 HydrophobicContact CG-CD2 4.28Å; L51-L122 HydrophobicContact CG-CG 3.92Å; L51-V125 HydrophobicContact CD1-CB 4.21Å; L51-V125 HydrophobicContact CD1-CG1 3.79Å; L51-E126 HydrophobicContact CD1-CG 4.24Å; L51-E126 HydrophobicContact CD2-CG 3.72Å; L51-E126 WeakPolarHBondContact CD2-OE1 3.42Å; L51-L142 HydrophobicContact CD1-CD1 4.29Å; L51-R144 HydrophobicContact CD2-CG 3.98Å
52	M	98.8	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	174.6	162.1	-65.8	-166.2	80	0	0	108.6	G61 F62 L142 V143 V145 F160 F165 A169 L173	M52-G61 CarbonylContact C-O 3.54Å; M52-G61 WeakPolarHBondContact CA-O 3.44Å; M52-G61 WeakPolarHBondContact CB-O 3.24Å; M52-F62 HydrophobicContact CE-CD1 4.42Å; M52-F62 HydrophobicContact CE-CD2 4.39Å; M52-F62 HydrophobicContact CE-CE1 4.36Å; M52-F62 HydrophobicContact CE-CE2 4.33Å; M52-F62 HydrophobicContact CE-CG 4.43Å; M52-F62 HydrophobicContact CE-CZ 4.32Å; M52-F62 HydrophobicContact CG-CD1 3.99Å; M52-F62 HydrophobicContact CG-CE1 3.76Å; M52-F62 HydrophobicContact CG-CZ 4.44Å; M52-F62 HydrophobicContact SD-CE1 4.37Å; M52-F62 HydrophobicContact SD-CZ 4.48Å; M52-L142 WeakPolarHBondContact O-CA 3.48Å; M52-V143 HydrophobicContact CB-CG2 4.03Å; M52-V143 PolarHBondContact N-O 3.18Å; M52-V143 PolarHBondContact O-N 3.5Å; M52-V145 HydrophobicContact CG-CG2 3.77Å; M52-V145 HydrophobicContact SD-CG2 3.94Å; M52-F160 HydrophobicContact SD-CE1 3.9Å; M52-F160 HydrophobicContact SD-CZ 3.74Å; M52-F165 HydrophobicContact CE-CD1 3.99Å; M52-F165 HydrophobicContact CE-CE1 4.02Å; M52-F165 HydrophobicContact SD-CE1 3.96Å; M52-A169 HydrophobicContact CE-CB 4.14Å; M52-L173 HydrophobicContact SD-CD2 3.93Å
53	Q	98.3	Very high	98.3	Very high	9 Å²	9	41 Å²	41	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.6	-179.6	73.1	-173.2	32.7	0	0	112.1	R55 L60 G61 V139 G141 L142	Q53-R55 HydrophobicContact CG-CG 4.42Å; Q53-L60 WeakPolarHBondContact O-CA 3.42Å; Q53-G61 PolarHBondContact N-O 3.49Å; Q53-G61 PolarHBondContact O-N 2.84Å; Q53-V139 HydrophobicContact CB-CG1 4.08Å; Q53-V139 HydrophobicContact CG-CG1 4.4Å; Q53-G141 CarbonylContact C-O 3.5Å; Q53-G141 WeakPolarHBondContact CA-O 3.31Å; Q53-L142 HydrophobicContact CB-CD2 3.56Å
54	M	98.6	Very high	98.2	Very high	64 Å²	64	34.9 Å²	34.9	32%	0.315	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126	162.4	-177.6	60.5	71.9	0	0	108.6	L60 L140 G141	M54-L60 HydrophobicContact CE-CD2 3.99Å; M54-L140 HydrophobicContact CB-CB 4.1Å; M54-L140 HydrophobicContact CG-CB 3.82Å; M54-L140 HydrophobicContact CG-CD1 4.1Å; M54-L140 HydrophobicContact CG-CG 4.4Å; M54-L140 PolarHBondContact O-N 2.77Å; M54-G141 PolarHBondContact N-O 2.82Å
55	R	98.3	Very high	98.1	Very high	49 Å²	49	34.6 Å²	34.6	19%	0.185	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	165.1	178.8	-68.2	165	48.4	74.6	5	111.3	Q53 D57 G58 L59 L140	Q53-R55 HydrophobicContact CG-CG 4.42Å; R55-D57 WeakPolarHBondContact CB-OD1 3.1Å; R55-D57 IonicContact CZ-OD2 3.78Å; R55-D57 IonicContact NE-OD1 2.64Å; R55-D57 PolarHBondContact NE-OD1 2.79Å; R55-D57 IonicContact NE-OD2 3.16Å; R55-D57 PolarHBondContact NE-OD2 2.91Å; R55-D57 VanDerWaalsContact NE-OD2 3.14Å; R55-D57 IonicContact NH2-OD2 3.33Å; R55-D57 PolarHBondContact NH2-OD2 2.91Å; R55-D57 PolarHBondContact O-N 3.48Å; R55-D57 VanDerWaalsContact O-N 3.13Å; R55-G58 PolarHBondContact O-N 2.92Å; R55-L59 WeakPolarHBondContact CB-O 3.48Å; R55-L59 PolarHBondContact N-O 3.01Å; R55-L140 WeakPolarHBondContact O-CD1 3.45Å
56	F	97.1	Very high	98.1	Very high	120 Å²	120	37.6 Å²	37.6	53%	0.526	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.5	174.3	70.9	-90.3	0	0	0	114.5	G58 L137 E138	F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 2.83Å; F56-L137 WeakPolarHBondContact CB-O 3.47Å; F56-E138 HydrophobicContact CD1-CB 4.31Å; F56-E138 PolarHBondContact N-O 2.9Å
57	D	97.6	Very high	98	Very high	69 Å²	69	35.6 Å²	35.6	37%	0.369	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	7.5	179.3	57	15.7	0	0	0	113.4	R55 L59	R55-D57 WeakPolarHBondContact CB-OD1 3.1Å; R55-D57 IonicContact CZ-OD2 3.78Å; R55-D57 IonicContact NE-OD1 2.64Å; R55-D57 PolarHBondContact NE-OD1 2.79Å; R55-D57 IonicContact NE-OD2 3.16Å; R55-D57 PolarHBondContact NE-OD2 2.91Å; R55-D57 VanDerWaalsContact NE-OD2 3.14Å; R55-D57 IonicContact NH2-OD2 3.33Å; R55-D57 PolarHBondContact NH2-OD2 2.91Å; R55-D57 PolarHBondContact O-N 3.48Å; R55-D57 VanDerWaalsContact O-N 3.13Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 3.17Å; D57-L59 WeakPolarHBondContact OD1-CB 3.09Å; D57-L59 PolarHBondContact OD1-N 3.24Å
58	G	98.2	Very high	97.9	Very high	42 Å²	42	33.1 Å²	33.1	43%	0.433	18%	0.175	S	C	.	.	S	Bend	trans	76.2	11.2	178.2	0	0	0	0	0	114.3	R55 F56	R55-G58 PolarHBondContact O-N 2.92Å; F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 2.83Å
59	L	98.4	Very high	97.7	Very high	54 Å²	54	35.5 Å²	35.5	28%	0.283	18%	0.183	S	C	.	.			trans	-104.9	149.3	178.7	-56.9	178.8	0	0	0	112.1	R55 D57 A164 V166	R55-L59 WeakPolarHBondContact CB-O 3.48Å; R55-L59 PolarHBondContact N-O 3.01Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 3.17Å; D57-L59 WeakPolarHBondContact OD1-CB 3.09Å; D57-L59 PolarHBondContact OD1-N 3.24Å; L59-A164 HydrophobicContact CD2-CB 3.55Å; L59-V166 HydrophobicContact CB-CG2 3.97Å; L59-V166 HydrophobicContact CD1-CG2 4.1Å
60	L	98.8	Very high	97.5	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.4	168.8	-66.9	178	0	0	0	111.2	Q53 M54 V143 F160 N163 A164 F165 V166	Q53-L60 WeakPolarHBondContact O-CA 3.42Å; M54-L60 HydrophobicContact CE-CD2 3.99Å; L60-V143 HydrophobicContact CD2-CG2 3.99Å; L60-F160 HydrophobicContact CD1-CE2 3.92Å; L60-F160 HydrophobicContact CD1-CZ 3.94Å; L60-N163 HydrophobicContact CD1-CB 3.68Å; L60-A164 PolarHBondContact N-O 2.91Å; L60-F165 HydrophobicContact CB-CD1 3.62Å; L60-F165 HydrophobicContact CB-CE1 3.79Å; L60-F165 HydrophobicContact CB-CG 4.2Å; L60-F165 HydrophobicContact CD1-CD1 4.43Å; L60-F165 HydrophobicContact CD1-CE1 3.85Å; L60-F165 HydrophobicContact CD1-CE2 4.43Å; L60-F165 HydrophobicContact CD1-CZ 3.85Å; L60-F165 WeakPolarHBondContact O-CA 3.45Å; L60-V166 PolarHBondContact O-N 3.4Å
61	G	98.4	Very high	97.3	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	174.7	176.7	0	0	0	0	0	112.8	M52 Q53	M52-G61 CarbonylContact C-O 3.54Å; M52-G61 WeakPolarHBondContact CA-O 3.44Å; M52-G61 WeakPolarHBondContact CB-O 3.24Å; Q53-G61 PolarHBondContact N-O 3.49Å; Q53-G61 PolarHBondContact O-N 2.84Å
62	F	98.6	Very high	97.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	27%	0.269	C	S	.	.			trans	-84.1	151.7	169.4	-74.9	-63.4	0	0	0	110.8	H29 M31 V50 M52 L112 A169 Q172 L173	H29-F62 HydrophobicContact CB-CB 3.79Å; M31-F62 HydrophobicContact CB-CD1 4.29Å; M31-F62 HydrophobicContact CB-CE1 3.88Å; M31-F62 HydrophobicContact CB-CZ 4.17Å; M31-F62 HydrophobicContact CG-CE1 3.87Å; M31-F62 HydrophobicContact CG-CZ 4.17Å; M31-F62 HydrophobicContact SD-CZ 4.43Å; V50-F62 HydrophobicContact CG1-CE1 4.1Å; M52-F62 HydrophobicContact CE-CD1 4.42Å; M52-F62 HydrophobicContact CE-CD2 4.39Å; M52-F62 HydrophobicContact CE-CE1 4.36Å; M52-F62 HydrophobicContact CE-CE2 4.33Å; M52-F62 HydrophobicContact CE-CG 4.43Å; M52-F62 HydrophobicContact CE-CZ 4.32Å; M52-F62 HydrophobicContact CG-CD1 3.99Å; M52-F62 HydrophobicContact CG-CE1 3.76Å; M52-F62 HydrophobicContact CG-CZ 4.44Å; M52-F62 HydrophobicContact SD-CE1 4.37Å; M52-F62 HydrophobicContact SD-CZ 4.48Å; F62-L112 HydrophobicContact CD2-CD1 4.23Å; F62-L112 HydrophobicContact CE2-CD1 4.42Å; F62-A169 HydrophobicContact CD2-CB 4.37Å; F62-Q172 HydrophobicContact CD2-CB 4.35Å; F62-Q172 HydrophobicContact CE2-CB 3.95Å; F62-L173 HydrophobicContact CE2-CB 4.11Å; F62-L173 HydrophobicContact CZ-CB 3.89Å; F62-L173 HydrophobicContact CZ-CD1 3.92Å
63	P	97.7	Very high	97.2	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.019	29%	0.286	C	S	.	.	S	Bend	trans	-55.5	136.6	167.2	-23.7	33.1	0	0	0	112	H29 A30 L82 L86	H29-P63 CarbonylContact C-O 3.6Å; H29-P63 VanDerWaalsContact CA-O 3.29Å; H29-P63 WeakPolarHBondContact CA-O 3.5Å; A30-P63 PolarHBondContact N-O 2.98Å; P63-L82 HydrophobicContact CB-CD2 3.61Å; P63-L86 HydrophobicContact CB-CD1 3.7Å; P63-L86 HydrophobicContact CB-CD2 4.29Å; P63-L86 HydrophobicContact CB-CG 4.1Å; P63-L86 HydrophobicContact CG-CD1 3.96Å; P63-L86 HydrophobicContact CG-CD2 4.12Å; P63-L86 HydrophobicContact CG-CG 4.4Å
64	G	96.6	Very high	97.2	Very high	11 Å²	11	59.8 Å²	59.8	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.6	-166	-175.6	0	0	0	0	0	112.1	C28	C28-G64 CarbonylContact O-C 3.55Å; C28-G64 VanDerWaalsContact O-CA 3.31Å; C28-G64 WeakPolarHBondContact O-CA 3.47Å
65	G	95.9	Very high	97.2	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-164	-176.4	0	0	0	0	0	113.3	S27 C28	S27-G65 CarbonylContact C-O 3.59Å; S27-G65 VanDerWaalsContact CA-O 3.3Å; S27-G65 WeakPolarHBondContact CA-O 3.23Å; C28-G65 PolarHBondContact N-O 3.46Å; C28-G65 PolarHBondContact O-N 3.46Å
66	F	96.6	Very high	97.1	Very high	136 Å²	136	58.4 Å²	58.4	60%	0.596	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	142.9	177.7	-73.8	-73.6	0	0	0	112.1	H26 V108	H26-F66 CarbonylContact O-C 3.59Å; H26-F66 WeakPolarHBondContact O-CA 3.43Å; H26-F66 WeakPolarHBondContact O-CD1 3.47Å; F66-V108 HydrophobicContact CE1-CG1 3.75Å; F66-V108 HydrophobicContact CE1-CG2 4.16Å; F66-V108 HydrophobicContact CZ-CG1 4.42Å; F66-V108 HydrophobicContact CZ-CG2 4.41Å
67	V	96.9	Very high	97.2	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	177.2	175.7	0	0	0	0	109.3	H26 C28 R69 W72	H26-V67 PolarHBondContact O-N 2.99Å; C28-V67 HydrophobicContact CB-CG2 3.91Å; V67-R69 PolarHBondContact O-N 3.47Å; V67-W72 HydrophobicContact CG1-CB 4.34Å
68	D	95.5	Very high	97.2	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.294	24%	0.242	S	C	.	.			trans	-81.6	98.1	173.1	-166.6	-20.8	0	0	0	110.7	R70 F71 W72	D68-R70 PolarHBondContact O-N 2.9Å; D68-R70 VanDerWaalsContact O-N 3.1Å; D68-R70 VanDerWaalsContact OD1-CB 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 3.2Å; D68-R70 WeakPolarHBondContact OD1-CG 3.35Å; D68-R70 IonicContact OD1-CZ 2.74Å; D68-R70 PolarHBondContact OD1-N 2.82Å; D68-R70 VanDerWaalsContact OD1-N 3.09Å; D68-R70 IonicContact OD1-NE 2.68Å; D68-R70 PolarHBondContact OD1-NE 3.17Å; D68-R70 IonicContact OD1-NH2 3.41Å; D68-R70 IonicContact OD2-CZ 4Å; D68-R70 IonicContact OD2-NE 3.32Å; D68-R70 PolarHBondContact OD2-NE 3.06Å; D68-R70 IonicContact OD2-NH2 3.52Å; D68-R70 PolarHBondContact OD2-NH2 2.89Å; D68-F71 HydrophobicContact CB-CD2 4.1Å; D68-F71 VanDerWaalsContact CG-CD2 3.48Å; D68-F71 PolarHBondContact O-N 3.32Å; D68-F71 VanDerWaalsContact O-N 3.11Å; D68-F71 WeakPolarHBondContact OD2-CD2 3.33Å; D68-F71 VanDerWaalsContact OD2-CE2 3.28Å; D68-F71 WeakPolarHBondContact OD2-CE2 3.27Å; D68-W72 PolarHBondContact O-N 3.15Å
69	R	95.3	Very high	97.1	Very high	92 Å²	92	48.3 Å²	48.3	35%	0.347	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.1	-178.3	-73.8	-175.3	63.8	-141.6	-4.5	114.9	M18 H26 V67 F71 W72 L74	M18-R69 PolarHBondContact O-NH1 3.3Å; M18-R69 PolarHBondContact O-NH2 3.44Å; M18-R69 VanDerWaalsContact SD-CZ 3.53Å; M18-R69 PolarHBondContact SD-NE 2.8Å; M18-R69 VanDerWaalsContact SD-NE 3.44Å; M18-R69 PolarHBondContact SD-NH2 3.4Å; H26-R69 HydrophobicContact CB-CG 4.19Å; H26-R69 WeakPolarHBondContact CD2-CD 3.44Å; H26-R69 VanDerWaalsContact CE1-CD 3.45Å; H26-R69 WeakPolarHBondContact CE1-CD 3.41Å; H26-R69 PolarHBondContact CE1-NH1 2.93Å; H26-R69 VanDerWaalsContact CE1-NH1 3.29Å; H26-R69 WeakPolarHBondContact ND1-CD 3.41Å; H26-R69 VanDerWaalsContact NE2-CD 3.34Å; H26-R69 WeakPolarHBondContact NE2-CD 3.38Å; H26-R69 PolarHBondContact NE2-NH1 3.42Å; V67-R69 PolarHBondContact O-N 3.47Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-W72 WeakPolarHBondContact CA-O 3.39Å; R69-L74 HydrophobicContact CG-CD2 4.21Å
70	R	94.4	Very high	96.9	Very high	196 Å²	196	52.3 Å²	52.3	74%	0.74	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-26.5	173.3	-61	173.5	-67	178.3	0.4	111.8	D68	D68-R70 PolarHBondContact O-N 2.9Å; D68-R70 VanDerWaalsContact O-N 3.1Å; D68-R70 VanDerWaalsContact OD1-CB 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 3.2Å; D68-R70 WeakPolarHBondContact OD1-CG 3.35Å; D68-R70 IonicContact OD1-CZ 2.74Å; D68-R70 PolarHBondContact OD1-N 2.82Å; D68-R70 VanDerWaalsContact OD1-N 3.09Å; D68-R70 IonicContact OD1-NE 2.68Å; D68-R70 PolarHBondContact OD1-NE 3.17Å; D68-R70 IonicContact OD1-NH2 3.41Å; D68-R70 IonicContact OD2-CZ 4Å; D68-R70 IonicContact OD2-NE 3.32Å; D68-R70 PolarHBondContact OD2-NE 3.06Å; D68-R70 IonicContact OD2-NH2 3.52Å; D68-R70 PolarHBondContact OD2-NH2 2.89Å
71	F	95.3	Very high	96.6	Very high	141 Å²	141	53.1 Å²	53.1	62%	0.618	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-26	-173.6	-55.8	-66.9	0	0	0	113.1	D68 R69	D68-F71 HydrophobicContact CB-CD2 4.1Å; D68-F71 VanDerWaalsContact CG-CD2 3.48Å; D68-F71 PolarHBondContact O-N 3.32Å; D68-F71 VanDerWaalsContact O-N 3.11Å; D68-F71 WeakPolarHBondContact OD2-CD2 3.33Å; D68-F71 VanDerWaalsContact OD2-CE2 3.28Å; D68-F71 WeakPolarHBondContact OD2-CE2 3.27Å; R69-F71 VanDerWaalsContact C-N 3.3Å
72	W	96.6	Very high	96.4	Very high	131 Å²	131	53.1 Å²	53.1	50%	0.496	24%	0.241	S	C	.	.			trans	-132.6	147.2	-170.6	-52.6	104.4	0	0	0	112.4	V67 D68 R69 D76	V67-W72 HydrophobicContact CG1-CB 4.34Å; D68-W72 PolarHBondContact O-N 3.15Å; R69-W72 WeakPolarHBondContact CA-O 3.39Å; W72-D76 HydrophobicContact CB-CB 4.46Å; W72-D76 HydrophobicContact CE3-CB 4.14Å
73	S	97.8	Very high	96	Very high	51 Å²	51	54.8 Å²	54.8	36%	0.357	26%	0.258	S	S	.	.			trans	-64.4	166.4	159.7	72.3	0	0	0	0	110.3	E75 D76 G77	S73-E75 VanDerWaalsContact C-N 3.33Å; S73-E75 PolarHBondContact O-N 3.42Å; S73-D76 VanDerWaalsContact OG-CB 3.27Å; S73-D76 WeakPolarHBondContact OG-CB 3.39Å; S73-D76 PolarHBondContact OG-N 2.98Å; S73-D76 PolarHBondContact OG-OD2 3.16Å; S73-G77 PolarHBondContact O-N 3.49Å
74	L	98.3	Very high	95.4	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-46.2	176.3	-63.7	-175.8	0	0	0	111	M18 H26 R69 L78 Y113	M18-L74 HydrophobicContact CE-CD1 3.69Å; M18-L74 HydrophobicContact CE-CD2 4.07Å; M18-L74 HydrophobicContact CE-CG 4.2Å; M18-L74 HydrophobicContact SD-CD1 3.96Å; M18-L74 HydrophobicContact SD-CD2 4.34Å; M18-L74 HydrophobicContact SD-CG 4.11Å; H26-L74 HydrophobicContact CB-CD2 4.43Å; R69-L74 HydrophobicContact CG-CD2 4.21Å; L74-L78 VanDerWaalsContact O-CB 3.25Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 3.41Å; L74-Y113 VanDerWaalsContact CB-OH 3.31Å; L74-Y113 WeakPolarHBondContact CB-OH 3.38Å
75	E	98.4	Very high	94.5	Very high	14 Å²	14	56.2 Å²	56.2	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-42.7	-179.6	-71.1	68.4	-154.6	0	0	112.1	R14 S73 L78 N79 E93 Y113	R14-E75 IonicContact CZ-OE1 3.7Å; R14-E75 VanDerWaalsContact CZ-OE1 3.23Å; R14-E75 IonicContact NH1-OE1 2.9Å; R14-E75 PolarHBondContact NH1-OE1 3.49Å; R14-E75 VanDerWaalsContact NH2-CD 3.29Å; R14-E75 IonicContact NH2-OE1 3.73Å; R14-E75 PolarHBondContact NH2-OE1 3.14Å; R14-E75 IonicContact NH2-OE2 3.2Å; R14-E75 PolarHBondContact NH2-OE2 3.27Å; S73-E75 VanDerWaalsContact C-N 3.33Å; S73-E75 PolarHBondContact O-N 3.42Å; E75-L78 PolarHBondContact O-N 3.41Å; E75-N79 VanDerWaalsContact O-CB 3.25Å; E75-N79 WeakPolarHBondContact O-CB 3.39Å; E75-N79 PolarHBondContact O-N 2.98Å; E75-N79 PolarHBondContact O-ND2 2.86Å; E75-E93 HydrophobicContact CG-CG 4.09Å; E75-Y113 VanDerWaalsContact CD-OH 3.25Å; E75-Y113 HydrophobicContact CG-CE1 4.02Å; E75-Y113 WeakPolarHBondContact OE1-CE1 3.38Å; E75-Y113 VanDerWaalsContact OE1-CZ 3.25Å; E75-Y113 PolarHBondContact OE1-OH 3.02Å
76	D	97.7	Very high	94.1	Very high	71 Å²	71	55.7 Å²	55.7	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-42.4	178.1	-67.4	-43	0	0	0	111.3	W72 S73 N79 R80 R90	W72-D76 HydrophobicContact CB-CB 4.46Å; W72-D76 HydrophobicContact CE3-CB 4.14Å; S73-D76 VanDerWaalsContact OG-CB 3.27Å; S73-D76 WeakPolarHBondContact OG-CB 3.39Å; S73-D76 PolarHBondContact OG-N 2.98Å; S73-D76 PolarHBondContact OG-OD2 3.16Å; D76-N79 PolarHBondContact O-N 3.41Å; D76-R80 WeakPolarHBondContact O-CB 3.31Å; D76-R80 PolarHBondContact O-N 3.32Å; D76-R90 IonicContact OD1-NH2 3.59Å
77	G	97.4	Very high	93.4	Very high	3 Å²	3	50 Å²	50	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-46	175.1	0	0	0	0	0	112.3	S73 R80 V81	S73-G77 PolarHBondContact O-N 3.49Å; G77-R80 PolarHBondContact O-N 3.38Å; G77-V81 WeakPolarHBondContact O-CG2 3.41Å; G77-V81 PolarHBondContact O-N 2.92Å
78	L	97.6	Very high	92.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-53.1	175.4	176.4	58	0	0	0	111.1	C28 L74 E75 R80 V81 L82 L91 Y113	C28-L78 HydrophobicContact CB-CB 3.79Å; C28-L78 HydrophobicContact CB-CD1 3.92Å; C28-L78 HydrophobicContact CB-CD2 4.28Å; C28-L78 HydrophobicContact CB-CG 4.22Å; C28-L78 WeakPolarHBondContact O-CD1 3.12Å; L74-L78 VanDerWaalsContact O-CB 3.25Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 3.41Å; E75-L78 PolarHBondContact O-N 3.41Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 2.95Å; L78-V81 PolarHBondContact O-N 3.36Å; L78-L82 HydrophobicContact CD1-CD1 3.89Å; L78-L82 HydrophobicContact CD1-CD2 4.13Å; L78-L82 HydrophobicContact CD1-CG 3.8Å; L78-L82 HydrophobicContact CD2-CD1 4.48Å; L78-L82 HydrophobicContact CG-CD1 3.86Å; L78-L82 HydrophobicContact CG-CG 4.14Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 3.44Å; L78-L91 HydrophobicContact CD2-CB 4.47Å; L78-L91 HydrophobicContact CD2-CD1 3.98Å; L78-Y113 HydrophobicContact CD2-CD1 4.12Å; L78-Y113 HydrophobicContact CD2-CD2 3.35Å; L78-Y113 HydrophobicContact CD2-CE1 4.46Å; L78-Y113 HydrophobicContact CD2-CE2 3.77Å; L78-Y113 HydrophobicContact CD2-CG 3.57Å
79	N	97.5	Very high	92.1	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-32.8	-177.6	-73.7	-39.6	0	0	0	112.7	E75 D76 G83 R90 L91	E75-N79 VanDerWaalsContact O-CB 3.25Å; E75-N79 WeakPolarHBondContact O-CB 3.39Å; E75-N79 PolarHBondContact O-N 2.98Å; E75-N79 PolarHBondContact O-ND2 2.86Å; D76-N79 PolarHBondContact O-N 3.41Å; N79-G83 PolarHBondContact O-N 3.26Å; N79-R90 VanDerWaalsContact OD1-CA 3.3Å; N79-R90 WeakPolarHBondContact OD1-CA 3.44Å; N79-L91 PolarHBondContact ND2-O 2.92Å; N79-L91 PolarHBondContact OD1-N 3.18Å
80	R	94.7	Very high	92	Very high	139 Å²	139	58.9 Å²	58.9	53%	0.525	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-46.9	172.5	-175	-164.4	155.9	-69.7	-0	111	D76 G77 L78 G83 L84	D76-R80 WeakPolarHBondContact O-CB 3.31Å; D76-R80 PolarHBondContact O-N 3.32Å; G77-R80 PolarHBondContact O-N 3.38Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 2.95Å; R80-G83 PolarHBondContact O-N 3.24Å; R80-L84 WeakPolarHBondContact O-CG 3.49Å; R80-L84 PolarHBondContact O-N 3.45Å
81	V	92.1	Very high	92.1	Very high	25 Å²	25	49.7 Å²	49.7	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-70	-43.4	180	179.4	0	0	0	0	111.1	G77 L78 G83 L84 G85	G77-V81 WeakPolarHBondContact O-CG2 3.41Å; G77-V81 PolarHBondContact O-N 2.92Å; L78-V81 PolarHBondContact O-N 3.36Å; V81-G83 VanDerWaalsContact C-N 3.25Å; V81-G83 PolarHBondContact O-N 2.77Å; V81-L84 PolarHBondContact O-N 2.67Å; V81-L84 VanDerWaalsContact O-N 3.09Å; V81-G85 PolarHBondContact O-N 2.73Å; V81-G85 VanDerWaalsContact O-N 3.13Å
82	L	93.7	Very high	92.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-34.8	175.1	-63.4	-176	0	0	0	112.1	A30 P63 L78 L84 G85 L86 G87 L91	A30-L82 HydrophobicContact CB-CD1 3.93Å; A30-L82 HydrophobicContact CB-CD2 4.19Å; P63-L82 HydrophobicContact CB-CD2 3.61Å; L78-L82 HydrophobicContact CD1-CD1 3.89Å; L78-L82 HydrophobicContact CD1-CD2 4.13Å; L78-L82 HydrophobicContact CD1-CG 3.8Å; L78-L82 HydrophobicContact CD2-CD1 4.48Å; L78-L82 HydrophobicContact CG-CD1 3.86Å; L78-L82 HydrophobicContact CG-CG 4.14Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 3.44Å; L82-L84 PolarHBondContact O-N 2.92Å; L82-G85 PolarHBondContact O-N 2.66Å; L82-L86 HydrophobicContact CD2-CD1 3.95Å; L82-L86 WeakPolarHBondContact O-CA 3.41Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 2.64Å; L82-G87 PolarHBondContact O-N 3.38Å; L82-L91 HydrophobicContact CD1-CD1 3.81Å; L82-L91 HydrophobicContact CD1-CG 4.19Å
83	G	90.3	Very high	92.4	Very high	36 Å²	36	46.2 Å²	46.2	37%	0.371	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-30.1	175.2	0	0	0	0	0	113.9	N79 R80 V81 G87	N79-G83 PolarHBondContact O-N 3.26Å; R80-G83 PolarHBondContact O-N 3.24Å; V81-G83 VanDerWaalsContact C-N 3.25Å; V81-G83 PolarHBondContact O-N 2.77Å; G83-G87 WeakPolarHBondContact CA-O 3.31Å
84	L	84.9	Confident	92.4	Very high	39 Å²	39	48.2 Å²	48.2	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-83.6	-34.9	177.6	-60	172.1	0	0	0	112.5	R80 V81 L82 S132 R133 D134	R80-L84 WeakPolarHBondContact O-CG 3.49Å; R80-L84 PolarHBondContact O-N 3.45Å; V81-L84 PolarHBondContact O-N 2.67Å; V81-L84 VanDerWaalsContact O-N 3.09Å; L82-L84 PolarHBondContact O-N 2.92Å; L84-S132 WeakPolarHBondContact O-CB 3.36Å; L84-S132 PolarHBondContact O-OG 2.89Å; L84-R133 PolarHBondContact O-N 2.98Å; L84-R133 VanDerWaalsContact O-N 3.14Å; L84-D134 WeakPolarHBondContact CB-OD2 3.44Å; L84-D134 PolarHBondContact O-N 3.05Å
85	G	77.4	Confident	92.4	Very high	5 Å²	5	48.7 Å²	48.7	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-95.2	-25.4	-176.1	0	0	0	0	0	116.3	V81 L82 S132	V81-G85 PolarHBondContact O-N 2.73Å; V81-G85 VanDerWaalsContact O-N 3.13Å; L82-G85 PolarHBondContact O-N 2.66Å; G85-S132 PolarHBondContact O-OG 2.96Å
86	L	87.4	Confident	92.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-16.9	-173.3	-58.9	-177.7	0	0	0	113.8	L32 P63 L82 V125 S128 A129 L142	L32-L86 HydrophobicContact CD1-CD1 3.65Å; P63-L86 HydrophobicContact CB-CD1 3.7Å; P63-L86 HydrophobicContact CB-CD2 4.29Å; P63-L86 HydrophobicContact CB-CG 4.1Å; P63-L86 HydrophobicContact CG-CD1 3.96Å; P63-L86 HydrophobicContact CG-CD2 4.12Å; P63-L86 HydrophobicContact CG-CG 4.4Å; L82-L86 HydrophobicContact CD2-CD1 3.95Å; L82-L86 WeakPolarHBondContact O-CA 3.41Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 2.64Å; L86-V125 HydrophobicContact CB-CG1 4.23Å; L86-V125 HydrophobicContact CD1-CG1 4.16Å; L86-V125 HydrophobicContact CD2-CG1 4.01Å; L86-V125 HydrophobicContact CG-CG1 4.38Å; L86-S128 WeakPolarHBondContact O-CB 3.14Å; L86-S128 PolarHBondContact O-OG 3.26Å; L86-A129 HydrophobicContact CD2-CB 3.99Å; L86-L142 HydrophobicContact CD2-CD1 3.85Å; L86-L142 HydrophobicContact CD2-CD2 4.02Å; L86-L142 HydrophobicContact CD2-CG 4.49Å
87	G	82.4	Confident	92.5	Very high	18 Å²	18	49.3 Å²	49.3	19%	0.186	27%	0.272	C	S	.	.	S	Bend	trans	85.6	-134.7	-177.3	0	0	0	0	0	113.8	L82 G83 L89 S128	L82-G87 PolarHBondContact O-N 3.38Å; G83-G87 WeakPolarHBondContact CA-O 3.31Å; G87-L89 VanDerWaalsContact C-N 3.33Å; G87-L89 PolarHBondContact O-N 3.03Å; G87-S128 WeakPolarHBondContact CA-OG 3.48Å
88	C	78.1	Confident	92.5	Very high	144 Å²	144	49.2 Å²	49.2	97%	0.973	27%	0.271	S	S	*	.	S	Bend	trans	-80.2	68.6	-166.3	-66.7	0	0	0	0	114
89	L	86.2	Confident	92.6	Very high	22 Å²	22	49.2 Å²	49.2	12%	0.115	27%	0.271	C	S	.	.			trans	-127.7	132.4	170.2	-176.5	72.7	0	0	0	110.1	L32 G87	L32-L89 HydrophobicContact CD1-CD2 3.31Å; L32-L89 HydrophobicContact CD2-CD2 3.58Å; L32-L89 HydrophobicContact CG-CD2 4.07Å; G87-L89 VanDerWaalsContact C-N 3.33Å; G87-L89 PolarHBondContact O-N 3.03Å
90	R	93.9	Very high	92.6	Very high	175 Å²	175	49 Å²	49	66%	0.66	27%	0.27	S	S	*	.			trans	-126.3	127.8	174.5	-63.6	-170.4	72.2	138.3	1.2	111.6	D76 N79	D76-R90 IonicContact OD1-NH2 3.59Å; N79-R90 VanDerWaalsContact OD1-CA 3.3Å; N79-R90 WeakPolarHBondContact OD1-CA 3.44Å
91	L	97.4	Very high	92.7	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	25%	0.252	C	S	.	.			trans	-102.5	160.4	173.8	-58	-178.4	0	0	0	110.4	A30 L78 N79 L82 D95 R115	A30-L91 HydrophobicContact CB-CD1 3.51Å; L78-L91 HydrophobicContact CD2-CB 4.47Å; L78-L91 HydrophobicContact CD2-CD1 3.98Å; N79-L91 PolarHBondContact ND2-O 2.92Å; N79-L91 PolarHBondContact OD1-N 3.18Å; L82-L91 HydrophobicContact CD1-CD1 3.81Å; L82-L91 HydrophobicContact CD1-CG 4.19Å; L91-D95 WeakPolarHBondContact CA-OD2 3.43Å; L91-D95 HydrophobicContact CB-CB 4.35Å; L91-D95 HydrophobicContact CD2-CB 4.4Å; L91-R115 HydrophobicContact CD2-CB 3.75Å; L91-R115 HydrophobicContact CD2-CG 4.19Å
92	T	98.3	Very high	92.7	Very high	68 Å²	68	44 Å²	44	42%	0.417	25%	0.254	S	S	.	.			trans	-133.7	176.5	-174.5	65.9	0	0	0	0	109.9	A94 D95	T92-A94 PolarHBondContact O-N 3.19Å; T92-A94 PolarHBondContact OG1-N 2.88Å; T92-D95 PolarHBondContact N-OD2 3.36Å; T92-D95 WeakPolarHBondContact O-CB 3.32Å; T92-D95 PolarHBondContact O-N 3.03Å; T92-D95 PolarHBondContact OG1-OD2 2.87Å; T92-D95 VanDerWaalsContact OG1-OD2 3.05Å
93	E	98.2	Very high	92.2	Very high	132 Å²	132	50.3 Å²	50.3	62%	0.617	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-59.6	-27.9	174.7	-60.8	-167.9	166.9	0	0	112.9	R14 E75 D95 Y96	R14-E93 IonicContact NH2-OE1 3.14Å; R14-E93 PolarHBondContact NH2-OE1 3.09Å; E75-E93 HydrophobicContact CG-CG 4.09Å; E93-D95 PolarHBondContact O-N 3.21Å; E93-Y96 VanDerWaalsContact O-CB 3.22Å; E93-Y96 WeakPolarHBondContact O-CB 3.22Å; E93-Y96 PolarHBondContact O-N 3.24Å; E93-Y96 VanDerWaalsContact O-N 3.09Å
94	A	98.3	Very high	91.7	Very high	93 Å²	93	51.4 Å²	51.4	77%	0.769	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.4	-17.8	177	0	0	0	0	0	113.1	T92	T92-A94 PolarHBondContact O-N 3.19Å; T92-A94 PolarHBondContact OG1-N 2.88Å
95	D	98.6	Very high	91.7	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.08	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-93.4	-6	178.3	-50.8	-59.9	0	0	0	112.4	L91 T92 E93 L97 Y113 A114 R115	L91-D95 WeakPolarHBondContact CA-OD2 3.43Å; L91-D95 HydrophobicContact CB-CB 4.35Å; L91-D95 HydrophobicContact CD2-CB 4.4Å; T92-D95 PolarHBondContact N-OD2 3.36Å; T92-D95 WeakPolarHBondContact O-CB 3.32Å; T92-D95 PolarHBondContact O-N 3.03Å; T92-D95 PolarHBondContact OG1-OD2 2.87Å; T92-D95 VanDerWaalsContact OG1-OD2 3.05Å; E93-D95 PolarHBondContact O-N 3.21Å; D95-L97 PolarHBondContact O-N 2.81Å; D95-Y113 HydrophobicContact CB-CD1 4.08Å; D95-Y113 CarbonylContact O-C 3.59Å; D95-Y113 WeakPolarHBondContact O-CA 3.49Å; D95-Y113 WeakPolarHBondContact O-CB 3.39Å; D95-A114 PolarHBondContact O-N 3.49Å; D95-R115 IonicContact OD1-CZ 2.77Å; D95-R115 IonicContact OD1-NE 4Å; D95-R115 PolarHBondContact OD1-NE 2.79Å; D95-R115 IonicContact OD1-NH2 2.67Å; D95-R115 PolarHBondContact OD1-NH2 2.89Å; D95-R115 IonicContact OD2-CZ 2.85Å; D95-R115 IonicContact OD2-NE 3.23Å; D95-R115 IonicContact OD2-NH2 2.77Å; D95-R115 PolarHBondContact OD2-NH2 3.41Å
96	Y	98.8	Very high	92.3	Very high	53 Å²	53	62.4 Å²	62.4	21%	0.208	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	127.6	178.8	171.2	-93	0	0	0	110.2	R14 E93 S98 S99 Y113	R14-Y96 HydrophobicContact CB-CE1 3.96Å; R14-Y96 HydrophobicContact CB-CE2 4.38Å; R14-Y96 HydrophobicContact CG-CE1 4.48Å; R14-Y96 HydrophobicContact CG-CE2 4.31Å; E93-Y96 VanDerWaalsContact O-CB 3.22Å; E93-Y96 WeakPolarHBondContact O-CB 3.22Å; E93-Y96 PolarHBondContact O-N 3.24Å; E93-Y96 VanDerWaalsContact O-N 3.09Å; Y96-S98 WeakPolarHBondContact CE2-O 3.48Å; Y96-S99 WeakPolarHBondContact OH-CB 3.39Å; Y96-S99 PolarHBondContact OH-N 2.83Å; Y96-S99 PolarHBondContact OH-OG 3.41Å; Y96-Y113 HydrophobicContact CD2-CE1 4.32Å; Y96-Y113 HydrophobicContact CD2-CE2 4.32Å
97	L	98.6	Very high	92.7	Very high	46 Å²	46	69.8 Å²	69.8	24%	0.241	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-48.2	-177.8	-173	62.5	0	0	0	112.5	D95 L112 A114 F175 A176 V179 L180	D95-L97 PolarHBondContact O-N 2.81Å; L97-L112 WeakPolarHBondContact CA-O 3.12Å; L97-L112 WeakPolarHBondContact CB-O 3.29Å; L97-L112 HydrophobicContact CD2-CD2 4.06Å; L97-L112 PolarHBondContact N-O 3.38Å; L97-A114 HydrophobicContact CB-CB 4.36Å; L97-A114 HydrophobicContact CD2-CB 3.91Å; L97-F175 HydrophobicContact CD2-CE1 4.2Å; L97-F175 HydrophobicContact CG-CE1 4.13Å; L97-A176 HydrophobicContact CD2-CB 3.81Å; L97-V179 HydrophobicContact CD1-CG2 4.02Å; L97-V179 HydrophobicContact CD2-CG2 4.08Å; L97-V179 HydrophobicContact CG-CG2 4.34Å; L97-L180 HydrophobicContact CD1-CD2 4.07Å; L97-L180 HydrophobicContact CD2-CD1 4.28Å; L97-L180 HydrophobicContact CD2-CD2 4.48Å; L97-L180 HydrophobicContact CD2-CG 4.33Å
98	S	98.5	Very high	93.4	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.007	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	165.7	-175.6	59.6	0	0	0	0	113.8	Y96 H100 H111 L112 F175	Y96-S98 WeakPolarHBondContact CE2-O 3.48Å; S98-H100 PolarHBondContact OG-CE1 3.18Å; S98-H100 PolarHBondContact OG-ND1 3.15Å; S98-H111 WeakPolarHBondContact O-CA 3.42Å; S98-L112 PolarHBondContact N-O 2.81Å; S98-L112 PolarHBondContact O-N 2.67Å; S98-F175 WeakPolarHBondContact OG-CE1 3.29Å
99	S	98.5	Very high	94.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.5	166.3	-55.4	0	0	0	0	109.8	Q11 I12 Y96 A110 H111	Q11-S99 WeakPolarHBondContact CA-O 3.32Å; Q11-S99 WeakPolarHBondContact CG-O 3.35Å; I12-S99 PolarHBondContact N-O 2.87Å; I12-S99 WeakPolarHBondContact O-CB 3.39Å; Y96-S99 WeakPolarHBondContact OH-CB 3.39Å; Y96-S99 PolarHBondContact OH-N 2.83Å; Y96-S99 PolarHBondContact OH-OG 3.41Å; S99-A110 WeakPolarHBondContact CA-O 3.38Å; S99-H111 PolarHBondContact OG-CE1 2.91Å; S99-H111 PolarHBondContact OG-ND1 3.35Å
100	H	97.9	Very high	94.9	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.046	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.3	177.8	-63.2	92.4	0	0	0	110.8	L9 K10 S98 V109 A110	L9-H100 HydrophobicContact CB-CB 3.81Å; L9-H100 HydrophobicContact CD1-CB 4.13Å; L9-H100 PolarHBondContact O-CD2 2.87Å; K10-H100 WeakPolarHBondContact O-CA 3.49Å; S98-H100 PolarHBondContact OG-CE1 3.18Å; S98-H100 PolarHBondContact OG-ND1 3.15Å; H100-V109 CarbonylContact O-C 3.56Å; H100-V109 WeakPolarHBondContact O-CA 3.06Å; H100-A110 PolarHBondContact N-O 3.27Å; H100-A110 PolarHBondContact O-N 3.36Å
101	L	96.5	Very high	95.2	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.1	168.7	-55.5	179.3	0	0	0	108.2	K10 I12 L20 W24 V109	K10-L101 HydrophobicContact CB-CB 4.45Å; K10-L101 HydrophobicContact CD-CD1 4.03Å; K10-L101 HydrophobicContact CG-CD1 4.24Å; K10-L101 PolarHBondContact O-N 3.3Å; I12-L101 HydrophobicContact CB-CD2 4.4Å; I12-L101 HydrophobicContact CB-CG 4.36Å; I12-L101 HydrophobicContact CD1-CD2 4.15Å; I12-L101 HydrophobicContact CG2-CD2 3.89Å; I12-L101 HydrophobicContact CG2-CG 4.14Å; L20-L101 HydrophobicContact CD1-CD2 4.34Å; W24-L101 HydrophobicContact CE3-CD2 4.42Å; W24-L101 HydrophobicContact CH2-CD2 3.96Å; W24-L101 HydrophobicContact CZ3-CD2 3.67Å; L101-V109 HydrophobicContact CD2-CB 4.26Å; L101-V109 HydrophobicContact CD2-CG2 4.36Å
102	T	92.8	Very high	95.2	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.184	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-77.2	155.7	-179.2	67.6	0	0	0	0	111.3	V108 A110 T168	T102-V108 HydrophobicContact CG2-CB 3.91Å; T102-V108 HydrophobicContact CG2-CG1 4.07Å; T102-V108 PolarHBondContact N-O 2.65Å; T102-V108 WeakPolarHBondContact OG1-CB 3.05Å; T102-V108 PolarHBondContact OG1-O 3.48Å; T102-A110 HydrophobicContact CG2-CB 4.07Å; T102-T168 HydrophobicContact CG2-CG2 4.17Å; T102-T168 WeakPolarHBondContact CG2-OG1 3.37Å
103	E	83.4	Confident	95.2	Very high	134 Å²	134	50 Å²	50	63%	0.626	27%	0.273	S	S	*	.	S	Bend	trans	-77.1	154.1	168.9	-67.8	170.4	-169.1	0	0	111.3	L9	L9-E103 HydrophobicContact CD2-CG 3.69Å
104	G	79.5	Confident	95.3	Very high	59 Å²	59	44.4 Å²	44.4	61%	0.608	25%	0.25	S	C	*	.	S	Bend	trans	114	179.3	173.9	0	0	0	0	0	114.9	H106	G104-H106 VanDerWaalsContact C-N 3.28Å; G104-H106 PolarHBondContact O-N 3.43Å
105	P	84.4	Confident	95.3	Very high	126 Å²	126	43.4 Å²	43.4	82%	0.818	23%	0.226	S	C	*	.	S	Bend	trans	-72.2	-22.4	-175.7	29.3	-35.2	0	0	0	112.9
106	H	91.1	Very high	95.3	Very high	148 Å²	148	47.8 Å²	47.8	69%	0.685	25%	0.246	S	C	*	.	S	Bend	trans	-86.1	134.6	178.9	-63.5	-68.1	0	0	0	111.2	G104 V108	G104-H106 VanDerWaalsContact C-N 3.28Å; G104-H106 PolarHBondContact O-N 3.43Å; H106-V108 HydrophobicContact CB-CG2 4.22Å; H106-V108 PolarHBondContact O-N 2.94Å
107	R	95.4	Very high	95.3	Very high	158 Å²	158	46 Å²	46	60%	0.596	24%	0.24	S	C	*	.			trans	-82.8	92.3	177.8	-67.7	178.1	-174.6	173.4	1.1	109.7	W24 S25	W24-R107 WeakPolarHBondContact CA-O 3.49Å; W24-R107 HydrophobicContact CD2-CB 3.69Å; W24-R107 HydrophobicContact CD2-CG 4.47Å; W24-R107 HydrophobicContact CE3-CB 3.72Å; W24-R107 HydrophobicContact CG-CB 4.19Å; W24-R107 HydrophobicContact CH2-CB 4.25Å; W24-R107 HydrophobicContact CH2-CG 4.4Å; W24-R107 HydrophobicContact CZ2-CB 4.25Å; W24-R107 HydrophobicContact CZ2-CG 4.21Å; W24-R107 HydrophobicContact CZ3-CB 3.99Å; S25-R107 PolarHBondContact N-O 2.97Å
108	V	97.3	Very high	95.3	Very high	15 Å²	15	46.9 Å²	46.9	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.4	177.1	-172.9	0	0	0	0	110.5	S25 F66 T102 H106	S25-V108 WeakPolarHBondContact O-CA 3.33Å; F66-V108 HydrophobicContact CE1-CG1 3.75Å; F66-V108 HydrophobicContact CE1-CG2 4.16Å; F66-V108 HydrophobicContact CZ-CG1 4.42Å; F66-V108 HydrophobicContact CZ-CG2 4.41Å; T102-V108 HydrophobicContact CG2-CB 3.91Å; T102-V108 HydrophobicContact CG2-CG1 4.07Å; T102-V108 PolarHBondContact N-O 2.65Å; T102-V108 WeakPolarHBondContact OG1-CB 3.05Å; T102-V108 PolarHBondContact OG1-O 3.48Å; H106-V108 HydrophobicContact CB-CG2 4.22Å; H106-V108 PolarHBondContact O-N 2.94Å
109	V	97.9	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.5	163.1	59.3	0	0	0	0	109.3	I12 A17 L20 S25 H26 S27 H100 L101	I12-V109 HydrophobicContact CG2-CG2 3.97Å; A17-V109 HydrophobicContact CB-CG2 4.02Å; L20-V109 HydrophobicContact CD1-CB 4.18Å; L20-V109 HydrophobicContact CD1-CG1 4.08Å; S25-V109 PolarHBondContact O-N 2.82Å; H26-V109 HydrophobicContact CB-CG1 4.34Å; H26-V109 WeakPolarHBondContact CE1-CG1 3.35Å; H26-V109 WeakPolarHBondContact ND1-CG1 3.36Å; S27-V109 PolarHBondContact N-O 3.13Å; S27-V109 PolarHBondContact OG-O 3.28Å; H100-V109 CarbonylContact O-C 3.56Å; H100-V109 WeakPolarHBondContact O-CA 3.06Å; L101-V109 HydrophobicContact CD2-CB 4.26Å; L101-V109 HydrophobicContact CD2-CG2 4.36Å
110	A	98.2	Very high	95.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112	-179.1	0	0	0	0	0	110.3	S27 S99 H100 T102 T168	S27-A110 WeakPolarHBondContact OG-CA 3.47Å; S99-A110 WeakPolarHBondContact CA-O 3.38Å; H100-A110 PolarHBondContact N-O 3.27Å; H100-A110 PolarHBondContact O-N 3.36Å; T102-A110 HydrophobicContact CG2-CB 4.07Å; A110-T168 HydrophobicContact CB-CG2 3.49Å; A110-T168 VanDerWaalsContact CB-CG2 3.49Å
111	H	98.6	Very high	95.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.6	173.9	-53.9	-70.6	0	0	0	109.4	H26 S27 C28 H29 S98 S99 Y113	H26-H111 AromaticContact CE1-NE2 3.85Å; H26-H111 AromaticContact CG-NE2 3.82Å; H26-H111 AromaticContact ND1-CD2 3.92Å; H26-H111 AromaticContact ND1-CE1 3.84Å; H26-H111 AromaticContact ND1-NE2 2.9Å; H26-H111 PolarHBondContact ND1-NE2 3.37Å; S27-H111 WeakPolarHBondContact O-CB 3.3Å; S27-H111 PolarHBondContact O-CD2 2.9Å; S27-H111 PolarHBondContact O-N 2.98Å; C28-H111 WeakPolarHBondContact CA-O 3.33Å; C28-H111 HydrophobicContact CB-CB 4.5Å; H29-H111 PolarHBondContact N-O 3.36Å; S98-H111 WeakPolarHBondContact O-CA 3.42Å; S99-H111 PolarHBondContact OG-CE1 2.91Å; S99-H111 PolarHBondContact OG-ND1 3.35Å; H111-Y113 HydrophobicContact CB-CE2 4.04Å
112	L	98.8	Very high	95.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132	176.8	-174.7	64.1	0	0	0	109.5	M31 F62 L97 S98 Q172 F175 A176	M31-L112 HydrophobicContact CB-CD1 4.44Å; F62-L112 HydrophobicContact CD2-CD1 4.23Å; F62-L112 HydrophobicContact CE2-CD1 4.42Å; L97-L112 WeakPolarHBondContact CA-O 3.12Å; L97-L112 WeakPolarHBondContact CB-O 3.29Å; L97-L112 HydrophobicContact CD2-CD2 4.06Å; L97-L112 PolarHBondContact N-O 3.38Å; S98-L112 PolarHBondContact N-O 2.81Å; S98-L112 PolarHBondContact O-N 2.67Å; L112-Q172 HydrophobicContact CB-CG 4.49Å; L112-Q172 HydrophobicContact CD1-CB 4.32Å; L112-Q172 HydrophobicContact CD1-CG 4.48Å; L112-Q172 HydrophobicContact CD2-CB 3.87Å; L112-Q172 HydrophobicContact CD2-CG 4.08Å; L112-F175 HydrophobicContact CD2-CD1 4.47Å; L112-A176 HydrophobicContact CD2-CB 4.03Å
113	Y	98.8	Very high	95.6	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.1	170.6	-65.6	-106.4	0	0	0	108.7	C28 H29 A30 M31 L74 E75 L78 D95 Y96 H111	C28-Y113 HydrophobicContact CB-CE2 4.2Å; H29-Y113 PolarHBondContact O-N 3.07Å; A30-Y113 CarbonylContact C-O 3.56Å; A30-Y113 WeakPolarHBondContact CA-O 3.5Å; M31-Y113 PolarHBondContact N-O 3.17Å; L74-Y113 VanDerWaalsContact CB-OH 3.31Å; L74-Y113 WeakPolarHBondContact CB-OH 3.38Å; E75-Y113 VanDerWaalsContact CD-OH 3.25Å; E75-Y113 HydrophobicContact CG-CE1 4.02Å; E75-Y113 WeakPolarHBondContact OE1-CE1 3.38Å; E75-Y113 VanDerWaalsContact OE1-CZ 3.25Å; E75-Y113 PolarHBondContact OE1-OH 3.02Å; L78-Y113 HydrophobicContact CD2-CD1 4.12Å; L78-Y113 HydrophobicContact CD2-CD2 3.35Å; L78-Y113 HydrophobicContact CD2-CE1 4.46Å; L78-Y113 HydrophobicContact CD2-CE2 3.77Å; L78-Y113 HydrophobicContact CD2-CG 3.57Å; D95-Y113 HydrophobicContact CB-CD1 4.08Å; D95-Y113 CarbonylContact O-C 3.59Å; D95-Y113 WeakPolarHBondContact O-CA 3.49Å; D95-Y113 WeakPolarHBondContact O-CB 3.39Å; Y96-Y113 HydrophobicContact CD2-CE1 4.32Å; Y96-Y113 HydrophobicContact CD2-CE2 4.32Å; H111-Y113 HydrophobicContact CB-CE2 4.04Å
114	A	98.8	Very high	96.3	Very high	15 Å²	15	57.1 Å²	57.1	12%	0.124	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.1	176.6	0	0	0	0	0	110.7	M31 Y33 D95 L97 L180	M31-A114 HydrophobicContact CB-CB 4.33Å; M31-A114 WeakPolarHBondContact O-CA 3.43Å; Y33-A114 HydrophobicContact CE1-CB 4.45Å; D95-A114 PolarHBondContact O-N 3.49Å; L97-A114 HydrophobicContact CB-CB 4.36Å; L97-A114 HydrophobicContact CD2-CB 3.91Å; A114-L180 HydrophobicContact CB-CD1 3.85Å
115	R	98.6	Very high	97.2	Very high	71 Å²	71	55 Å²	55	27%	0.268	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.7	177.3	174.3	65.3	71.3	84.6	4.4	109.9	M31 L32 Y33 L91 D95 L117	M31-R115 PolarHBondContact O-N 2.95Å; L32-R115 HydrophobicContact CD2-CB 4.1Å; Y33-R115 WeakPolarHBondContact CD1-O 3.22Å; Y33-R115 PolarHBondContact N-O 3Å; L91-R115 HydrophobicContact CD2-CB 3.75Å; L91-R115 HydrophobicContact CD2-CG 4.19Å; D95-R115 IonicContact OD1-CZ 2.77Å; D95-R115 IonicContact OD1-NE 4Å; D95-R115 PolarHBondContact OD1-NE 2.79Å; D95-R115 IonicContact OD1-NH2 2.67Å; D95-R115 PolarHBondContact OD1-NH2 2.89Å; D95-R115 IonicContact OD2-CZ 2.85Å; D95-R115 IonicContact OD2-NE 3.23Å; D95-R115 IonicContact OD2-NH2 2.77Å; D95-R115 PolarHBondContact OD2-NH2 3.41Å; R115-L117 HydrophobicContact CG-CD2 3.71Å; R115-L117 HydrophobicContact CG-CG 4.21Å
116	Q	98.7	Very high	97.8	Very high	107 Å²	107	51 Å²	51	50%	0.5	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.5	165.5	-165.7	168.3	-18.5	0	0	109.9	Y33	Y33-Q116 HydrophobicContact CD2-CB 4.46Å; Y33-Q116 HydrophobicContact CD2-CG 4.16Å; Y33-Q116 HydrophobicContact CE1-CB 4.02Å; Y33-Q116 HydrophobicContact CE2-CB 3.78Å; Y33-Q116 HydrophobicContact CE2-CG 3.63Å; Y33-Q116 CarbonylContact O-C 3.55Å; Y33-Q116 WeakPolarHBondContact O-CA 3.24Å; Y33-Q116 PolarHBondContact OH-OE1 3.42Å
117	L	98.4	Very high	98.1	Very high	17 Å²	17	48 Å²	48	9%	0.089	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	166.8	174.5	-61	178.7	0	0	0	109.3	L32 Y33 A34 R115 Q121 L122 V125	L32-L117 HydrophobicContact CB-CD1 4.39Å; Y33-L117 PolarHBondContact O-N 2.77Å; A34-L117 WeakPolarHBondContact CA-O 3.31Å; A34-L117 WeakPolarHBondContact CB-O 3.43Å; R115-L117 HydrophobicContact CG-CD2 3.71Å; R115-L117 HydrophobicContact CG-CG 4.21Å; L117-Q121 HydrophobicContact CB-CB 3.93Å; L117-L122 HydrophobicContact CD1-CD1 3.93Å; L117-V125 HydrophobicContact CD1-CG2 4.21Å
118	T	98.6	Very high	98.2	Very high	64 Å²	64	42.3 Å²	42.3	39%	0.393	22%	0.22	S	C	.	.			trans	-70.7	162.1	159.6	83.9	0	0	0	0	110	E120 Q121 L122	T118-E120 VanDerWaalsContact CB-OE2 3.25Å; T118-E120 WeakPolarHBondContact CB-OE2 3.21Å; T118-E120 PolarHBondContact O-N 3.3Å; T118-E120 PolarHBondContact OG1-N 3.09Å; T118-E120 PolarHBondContact OG1-OE2 2.9Å; T118-Q121 PolarHBondContact O-N 2.83Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.13Å; T118-Q121 PolarHBondContact OG1-N 2.65Å; T118-L122 PolarHBondContact O-N 2.96Å
119	L	98.6	Very high	98.1	Very high	36 Å²	36	41.9 Å²	41.9	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-33	-179.8	-170.1	62.4	0	0	0	111.7	A34 N36 L122 H123	A34-L119 HydrophobicContact CB-CB 4.34Å; A34-L119 HydrophobicContact CB-CD1 4.17Å; N36-L119 HydrophobicContact CB-CD1 4.25Å; N36-L119 HydrophobicContact CB-CD2 4.42Å; L119-L122 PolarHBondContact O-N 3.14Å; L119-H123 WeakPolarHBondContact O-CB 3.3Å; L119-H123 PolarHBondContact O-N 3.13Å
120	E	98.3	Very high	98	Very high	133 Å²	133	45.4 Å²	45.4	62%	0.621	24%	0.239	S	C	*	.	H	α-helix	trans	-67.5	-42.7	175.5	-56.7	69.9	-149.1	0	0	110.9	T118 H123 A124	T118-E120 VanDerWaalsContact CB-OE2 3.25Å; T118-E120 WeakPolarHBondContact CB-OE2 3.21Å; T118-E120 PolarHBondContact O-N 3.3Å; T118-E120 PolarHBondContact OG1-N 3.09Å; T118-E120 PolarHBondContact OG1-OE2 2.9Å; E120-H123 PolarHBondContact O-N 3.46Å; E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 3.03Å
121	Q	97.9	Very high	97.9	Very high	99 Å²	99	52.9 Å²	52.9	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-42.2	174.3	-73.8	173.7	-21.2	0	0	111.5	L117 T118 H123 A124 V125	L117-Q121 HydrophobicContact CB-CB 3.93Å; T118-Q121 PolarHBondContact O-N 2.83Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.13Å; T118-Q121 PolarHBondContact OG1-N 2.65Å; Q121-H123 VanDerWaalsContact C-N 3.29Å; Q121-H123 PolarHBondContact O-N 3.43Å; Q121-A124 WeakPolarHBondContact O-CB 3.16Å; Q121-A124 PolarHBondContact O-N 3.32Å; Q121-V125 WeakPolarHBondContact O-CG2 3.46Å; Q121-V125 PolarHBondContact O-N 3.3Å
122	L	98.4	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-39.4	175.9	-161.7	74.5	0	0	0	111.2	L32 A34 S49 L51 L117 T118 L119 V125 E126	L32-L122 HydrophobicContact CB-CD1 3.86Å; A34-L122 HydrophobicContact CB-CB 4Å; A34-L122 HydrophobicContact CB-CD2 3.87Å; A34-L122 HydrophobicContact CB-CG 4.44Å; S49-L122 WeakPolarHBondContact O-CD2 3.47Å; L51-L122 HydrophobicContact CD1-CD1 3.61Å; L51-L122 HydrophobicContact CD1-CG 3.87Å; L51-L122 HydrophobicContact CD2-CG 4.43Å; L51-L122 HydrophobicContact CG-CD1 3.76Å; L51-L122 HydrophobicContact CG-CD2 4.28Å; L51-L122 HydrophobicContact CG-CG 3.92Å; L117-L122 HydrophobicContact CD1-CD1 3.93Å; T118-L122 PolarHBondContact O-N 2.96Å; L119-L122 PolarHBondContact O-N 3.14Å; L122-V125 WeakPolarHBondContact O-CB 3.5Å; L122-V125 PolarHBondContact O-N 3.47Å; L122-E126 PolarHBondContact O-N 2.98Å
123	H	98.4	Very high	97.5	Very high	98 Å²	98	63.4 Å²	63.4	45%	0.454	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-38.4	174.3	-177.7	-141.4	0	0	0	112.6	L119 E120 Q121 V125 E126 I127	L119-H123 WeakPolarHBondContact O-CB 3.3Å; L119-H123 PolarHBondContact O-N 3.13Å; E120-H123 PolarHBondContact O-N 3.46Å; Q121-H123 VanDerWaalsContact C-N 3.29Å; Q121-H123 PolarHBondContact O-N 3.43Å; H123-V125 PolarHBondContact O-N 3.2Å; H123-E126 WeakPolarHBondContact CA-OE2 3.41Å; H123-E126 IonicContact CD2-OE2 2.89Å; H123-E126 WeakPolarHBondContact O-CB 3.37Å; H123-E126 PolarHBondContact O-N 3.03Å; H123-I127 WeakPolarHBondContact O-CG1 3.4Å; H123-I127 PolarHBondContact O-N 2.97Å
124	A	97.4	Very high	97.2	Very high	53 Å²	53	64.5 Å²	64.5	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-34.1	174	0	0	0	0	0	112.2	E120 Q121 I127 S128	E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 3.03Å; Q121-A124 WeakPolarHBondContact O-CB 3.16Å; Q121-A124 PolarHBondContact O-N 3.32Å; A124-I127 PolarHBondContact O-N 3.26Å; A124-S128 WeakPolarHBondContact O-CB 3.43Å; A124-S128 PolarHBondContact O-N 3.06Å
125	V	97.8	Very high	97	Very high	14 Å²	14	67.4 Å²	67.4	9%	0.085	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-42.7	171.2	172.1	0	0	0	0	111.2	L32 L51 L86 L117 Q121 L122 H123 I127 S128 A129	L32-V125 HydrophobicContact CD1-CG1 4.05Å; L51-V125 HydrophobicContact CD1-CB 4.21Å; L51-V125 HydrophobicContact CD1-CG1 3.79Å; L86-V125 HydrophobicContact CB-CG1 4.23Å; L86-V125 HydrophobicContact CD1-CG1 4.16Å; L86-V125 HydrophobicContact CD2-CG1 4.01Å; L86-V125 HydrophobicContact CG-CG1 4.38Å; L117-V125 HydrophobicContact CD1-CG2 4.21Å; Q121-V125 WeakPolarHBondContact O-CG2 3.46Å; Q121-V125 PolarHBondContact O-N 3.3Å; L122-V125 WeakPolarHBondContact O-CB 3.5Å; L122-V125 PolarHBondContact O-N 3.47Å; H123-V125 PolarHBondContact O-N 3.2Å; V125-I127 PolarHBondContact O-N 3.23Å; V125-S128 PolarHBondContact O-N 3.35Å; V125-A129 VanDerWaalsContact O-CB 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.43Å; V125-A129 PolarHBondContact O-N 3.35Å
126	E	98.2	Very high	96.9	Very high	42 Å²	42	66.5 Å²	66.5	20%	0.196	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176.4	-66.3	169.3	138.5	0	0	112.4	L51 L122 H123 S128 A129 V130 L142 R144	L51-E126 HydrophobicContact CD1-CG 4.24Å; L51-E126 HydrophobicContact CD2-CG 3.72Å; L51-E126 WeakPolarHBondContact CD2-OE1 3.42Å; L122-E126 PolarHBondContact O-N 2.98Å; H123-E126 WeakPolarHBondContact CA-OE2 3.41Å; H123-E126 IonicContact CD2-OE2 2.89Å; H123-E126 WeakPolarHBondContact O-CB 3.37Å; H123-E126 PolarHBondContact O-N 3.03Å; E126-S128 VanDerWaalsContact C-N 3.35Å; E126-A129 PolarHBondContact O-N 3.04Å; E126-V130 PolarHBondContact O-N 2.95Å; E126-L142 HydrophobicContact CG-CD1 4.21Å; E126-R144 WeakPolarHBondContact OE1-CG 3.48Å; E126-R144 IonicContact OE1-CZ 3.35Å; E126-R144 IonicContact OE1-NE 3.24Å; E126-R144 PolarHBondContact OE1-NE 3.37Å; E126-R144 IonicContact OE1-NH2 2.66Å; E126-R144 IonicContact OE2-CZ 3.7Å; E126-R144 IonicContact OE2-NE 3.75Å; E126-R144 PolarHBondContact OE2-NE 3.29Å; E126-R144 IonicContact OE2-NH2 3.68Å; E126-R144 PolarHBondContact OE2-NH2 2.83Å
127	I	97.1	Very high	96.8	Very high	86 Å²	86	67 Å²	67	44%	0.441	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-43.4	174.7	-64.8	166.5	0	0	0	110.6	H123 A124 V125 A129 V130 H131	H123-I127 WeakPolarHBondContact O-CG1 3.4Å; H123-I127 PolarHBondContact O-N 2.97Å; A124-I127 PolarHBondContact O-N 3.26Å; V125-I127 PolarHBondContact O-N 3.23Å; I127-A129 VanDerWaalsContact C-N 3.35Å; I127-V130 WeakPolarHBondContact O-CG1 3.3Å; I127-H131 PolarHBondContact O-CD2 3Å
128	S	96.7	Very high	96.7	Very high	39 Å²	39	71.6 Å²	71.6	27%	0.273	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-36.5	179	-179.1	0	0	0	0	112.1	L86 G87 A124 V125 E126 V130 H131 S132	L86-S128 WeakPolarHBondContact O-CB 3.14Å; L86-S128 PolarHBondContact O-OG 3.26Å; G87-S128 WeakPolarHBondContact CA-OG 3.48Å; A124-S128 WeakPolarHBondContact O-CB 3.43Å; A124-S128 PolarHBondContact O-N 3.06Å; V125-S128 PolarHBondContact O-N 3.35Å; E126-S128 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 2.78Å; S128-H131 CarbonylContact O-C 3.55Å; S128-H131 PolarHBondContact O-N 3.32Å; S128-S132 PolarHBondContact O-N 2.54Å
129	A	95.9	Very high	96.6	Very high	5 Å²	5	69 Å²	69	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-35.2	-178.2	0	0	0	0	0	113.5	L86 V125 E126 I127 H131 S132 L142	L86-A129 HydrophobicContact CD2-CB 3.99Å; V125-A129 VanDerWaalsContact O-CB 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.43Å; V125-A129 PolarHBondContact O-N 3.35Å; E126-A129 PolarHBondContact O-N 3.04Å; I127-A129 VanDerWaalsContact C-N 3.35Å; A129-H131 PolarHBondContact O-N 2.98Å; A129-S132 WeakPolarHBondContact O-CB 3.22Å; A129-S132 PolarHBondContact O-N 2.85Å; A129-S132 PolarHBondContact O-OG 2.81Å; A129-L142 HydrophobicContact CB-CD1 3.44Å; A129-L142 VanDerWaalsContact CB-CD1 3.44Å; A129-L142 HydrophobicContact CB-CG 3.88Å
130	V	96.4	Very high	96.6	Very high	75 Å²	75	71.5 Å²	71.5	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-69.7	-19.5	177.1	77.9	0	0	0	0	112.7	E126 I127 S128 H135	E126-V130 PolarHBondContact O-N 2.95Å; I127-V130 WeakPolarHBondContact O-CG1 3.3Å; S128-V130 PolarHBondContact O-N 2.78Å; V130-H135 PolarHBondContact O-CD2 2.84Å
131	H	95.9	Very high	96.5	Very high	156 Å²	156	66 Å²	66	72%	0.722	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	6.8	175.5	-61.5	-59.9	0	0	0	112.9	I127 S128 A129	I127-H131 PolarHBondContact O-CD2 3Å; S128-H131 CarbonylContact O-C 3.55Å; S128-H131 PolarHBondContact O-N 3.32Å; A129-H131 PolarHBondContact O-N 2.98Å
132	S	94	Very high	96.6	Very high	18 Å²	18	63.2 Å²	63.2	13%	0.126	34%	0.337	C	S	.	.	S	Bend	trans	-75.2	163.7	-176.4	93.1	0	0	0	0	111.7	L84 G85 S128 A129 D134 H135	L84-S132 WeakPolarHBondContact O-CB 3.36Å; L84-S132 PolarHBondContact O-OG 2.89Å; G85-S132 PolarHBondContact O-OG 2.96Å; S128-S132 PolarHBondContact O-N 2.54Å; A129-S132 WeakPolarHBondContact O-CB 3.22Å; A129-S132 PolarHBondContact O-N 2.85Å; A129-S132 PolarHBondContact O-OG 2.81Å; S132-D134 VanDerWaalsContact C-N 3.32Å; S132-D134 PolarHBondContact O-N 2.77Å; S132-H135 PolarHBondContact O-N 2.87Å; S132-H135 PolarHBondContact OG-N 2.81Å
133	R	93.8	Very high	96.6	Very high	204 Å²	204	65.7 Å²	65.7	77%	0.77	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.1	-178.2	-67.7	-176.3	179.9	-174.8	-0.9	112.6	L84 H135	L84-R133 PolarHBondContact O-N 2.98Å; L84-R133 VanDerWaalsContact O-N 3.14Å; R133-H135 VanDerWaalsContact C-N 3.33Å
134	D	93.3	Very high	96.6	Very high	22 Å²	22	65 Å²	65	12%	0.118	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.7	-175.9	-63.5	-12.6	0	0	0	113	L84 S132 G136 L137 E138 V139	L84-D134 WeakPolarHBondContact CB-OD2 3.44Å; L84-D134 PolarHBondContact O-N 3.05Å; S132-D134 VanDerWaalsContact C-N 3.32Å; S132-D134 PolarHBondContact O-N 2.77Å; D134-G136 PolarHBondContact O-N 2.95Å; D134-L137 PolarHBondContact O-N 3.48Å; D134-E138 HydrophobicContact CB-CB 4.42Å; D134-E138 PolarHBondContact O-N 3.44Å; D134-V139 HydrophobicContact CB-CG2 4.14Å; D134-V139 PolarHBondContact O-N 3.32Å; D134-V139 VanDerWaalsContact O-N 3.1Å
135	H	95.3	Very high	96.7	Very high	77 Å²	77	62.7 Å²	62.7	36%	0.356	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-63.2	122.9	175.9	-173	73.4	0	0	0	110.7	V130 S132 R133 L137 V139	V130-H135 PolarHBondContact O-CD2 2.84Å; S132-H135 PolarHBondContact O-N 2.87Å; S132-H135 PolarHBondContact OG-N 2.81Å; R133-H135 VanDerWaalsContact C-N 3.33Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-V139 WeakPolarHBondContact CA-O 3.17Å
136	G	95.8	Very high	96.7	Very high	52 Å²	52	63.2 Å²	63.2	54%	0.536	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	2.3	-175.1	0	0	0	0	0	114.5	D134 V139	D134-G136 PolarHBondContact O-N 2.95Å; G136-V139 PolarHBondContact N-O 3.27Å
137	L	96.5	Very high	96.7	Very high	118 Å²	118	61.6 Å²	61.6	62%	0.618	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-99.7	174.4	-60.9	176.9	0	0	0	109.6	F56 D134 H135 V139	F56-L137 WeakPolarHBondContact CB-O 3.47Å; D134-L137 PolarHBondContact O-N 3.48Å; H135-L137 VanDerWaalsContact C-N 3.29Å; L137-V139 VanDerWaalsContact C-N 3.29Å; L137-V139 PolarHBondContact O-N 3.35Å
138	E	95.6	Very high	96.8	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.2	178.8	-65.1	-168.7	-165	0	0	112.7	F56 D134	F56-E138 HydrophobicContact CD1-CB 4.31Å; F56-E138 PolarHBondContact N-O 2.9Å; D134-E138 HydrophobicContact CB-CB 4.42Å; D134-E138 PolarHBondContact O-N 3.44Å
139	V	97.1	Very high	96.9	Very high	9 Å²	9	61 Å²	61	6%	0.055	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118	-177.8	-174.9	0	0	0	0	110.2	Q53 D134 H135 G136 L137	Q53-V139 HydrophobicContact CB-CG1 4.08Å; Q53-V139 HydrophobicContact CG-CG1 4.4Å; D134-V139 HydrophobicContact CB-CG2 4.14Å; D134-V139 PolarHBondContact O-N 3.32Å; D134-V139 VanDerWaalsContact O-N 3.1Å; H135-V139 WeakPolarHBondContact CA-O 3.17Å; G136-V139 PolarHBondContact N-O 3.27Å; L137-V139 VanDerWaalsContact C-N 3.29Å; L137-V139 PolarHBondContact O-N 3.35Å
140	L	98.1	Very high	97	Very high	89 Å²	89	63.7 Å²	63.7	47%	0.466	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-4.9	-176.5	-55.3	-175.5	0	0	0	113.6	M54 R55	M54-L140 HydrophobicContact CB-CB 4.1Å; M54-L140 HydrophobicContact CG-CB 3.82Å; M54-L140 HydrophobicContact CG-CD1 4.1Å; M54-L140 HydrophobicContact CG-CG 4.4Å; M54-L140 PolarHBondContact O-N 2.77Å; R55-L140 WeakPolarHBondContact O-CD1 3.45Å
141	G	97.9	Very high	97	Very high	18 Å²	18	68.7 Å²	68.7	19%	0.186	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	148	174.5	0	0	0	0	0	113	Q53 M54	Q53-G141 CarbonylContact C-O 3.5Å; Q53-G141 WeakPolarHBondContact CA-O 3.31Å; M54-G141 PolarHBondContact N-O 2.82Å
142	L	98.4	Very high	97	Very high	40 Å²	40	65.6 Å²	65.6	21%	0.209	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	149.6	173.7	-61.9	-169.8	0	0	0	111.5	L51 M52 Q53 L86 E126 A129	L51-L142 HydrophobicContact CD1-CD1 4.29Å; M52-L142 WeakPolarHBondContact O-CA 3.48Å; Q53-L142 HydrophobicContact CB-CD2 3.56Å; L86-L142 HydrophobicContact CD2-CD1 3.85Å; L86-L142 HydrophobicContact CD2-CD2 4.02Å; L86-L142 HydrophobicContact CD2-CG 4.49Å; E126-L142 HydrophobicContact CG-CD1 4.21Å; A129-L142 HydrophobicContact CB-CD1 3.44Å; A129-L142 VanDerWaalsContact CB-CD1 3.44Å; A129-L142 HydrophobicContact CB-CG 3.88Å
143	V	98.8	Very high	97.2	Very high	52 Å²	52	73.9 Å²	73.9	32%	0.315	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.1	173.6	-62	0	0	0	0	110	M52 L60 F160	M52-V143 HydrophobicContact CB-CG2 4.03Å; M52-V143 PolarHBondContact N-O 3.18Å; M52-V143 PolarHBondContact O-N 3.5Å; L60-V143 HydrophobicContact CD2-CG2 3.99Å; V143-F160 HydrophobicContact CG2-CE2 4.19Å
144	R	98.9	Very high	97.3	Very high	84 Å²	84	66.4 Å²	66.4	32%	0.317	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.2	168.8	-66.8	-174.5	-179.1	-160.2	4.4	110.3	V50 L51 E126 P146	V50-R144 CarbonylContact O-C 3.55Å; V50-R144 VanDerWaalsContact O-CA 3.31Å; V50-R144 WeakPolarHBondContact O-CA 3.42Å; L51-R144 HydrophobicContact CD2-CG 3.98Å; E126-R144 WeakPolarHBondContact OE1-CG 3.48Å; E126-R144 IonicContact OE1-CZ 3.35Å; E126-R144 IonicContact OE1-NE 3.24Å; E126-R144 PolarHBondContact OE1-NE 3.37Å; E126-R144 IonicContact OE1-NH2 2.66Å; E126-R144 IonicContact OE2-CZ 3.7Å; E126-R144 IonicContact OE2-NE 3.75Å; E126-R144 PolarHBondContact OE2-NE 3.29Å; E126-R144 IonicContact OE2-NH2 3.68Å; E126-R144 PolarHBondContact OE2-NH2 2.83Å; R144-P146 WeakPolarHBondContact O-CD 3.42Å
145	V	98.9	Very high	97.5	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.018	33%	0.333	C	S	.	.			trans	-73.8	121.8	174.7	-174.6	0	0	0	0	110.1	V50 M52 L147 F157 F160 L173	V50-V145 HydrophobicContact CB-CB 4.01Å; V50-V145 HydrophobicContact CB-CG2 3.84Å; V50-V145 HydrophobicContact CG1-CG2 4.1Å; V50-V145 PolarHBondContact O-N 2.99Å; M52-V145 HydrophobicContact CG-CG2 3.77Å; M52-V145 HydrophobicContact SD-CG2 3.94Å; V145-L147 HydrophobicContact CB-CD2 4.44Å; V145-L147 HydrophobicContact CG1-CD2 3.67Å; V145-L147 HydrophobicContact CG1-CG 4.42Å; V145-L147 PolarHBondContact O-N 3.11Å; V145-F157 HydrophobicContact CG1-CD2 3.94Å; V145-F157 HydrophobicContact CG1-CE2 3.83Å; V145-F160 HydrophobicContact CB-CE1 4.26Å; V145-F160 HydrophobicContact CB-CZ 4.32Å; V145-F160 HydrophobicContact CG1-CD1 3.76Å; V145-F160 HydrophobicContact CG1-CE1 3.71Å; V145-F160 HydrophobicContact CG1-CG 4.33Å; V145-F160 HydrophobicContact CG1-CZ 4.25Å; V145-F160 HydrophobicContact CG2-CE1 3.82Å; V145-F160 HydrophobicContact CG2-CE2 4.42Å; V145-F160 HydrophobicContact CG2-CZ 3.7Å; V145-L173 HydrophobicContact CG1-CD2 4.4Å; V145-L173 HydrophobicContact CG2-CD1 4.42Å
146	P	98.6	Very high	97.7	Very high	26 Å²	26	62.3 Å²	62.3	17%	0.169	32%	0.321	C	S	.	.			trans	-83.7	94.6	178.2	32.2	-32.3	0	0	0	110.4	R144 Y148 F157 F160	R144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-Y148 HydrophobicContact CB-CD1 4.25Å; P146-Y148 HydrophobicContact CB-CE1 3.59Å; P146-Y148 HydrophobicContact CB-CE2 4.21Å; P146-Y148 PolarHBondContact O-N 2.89Å; P146-F157 WeakPolarHBondContact O-CA 3.35Å; P146-F157 WeakPolarHBondContact O-CB 3.5Å; P146-F157 PolarHBondContact O-N 3.29Å; P146-F160 HydrophobicContact CG-CB 3.85Å; P146-F160 HydrophobicContact CG-CD2 4.38Å; P146-F160 HydrophobicContact CG-CG 4.31Å
147	L	98.7	Very high	97.8	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	30%	0.296	C	S	.	.			trans	-76.9	4.7	-176.2	-60.8	-179.7	0	0	0	115.2	F48 V50 V145 F157 L177 M182 M183	F48-L147 HydrophobicContact CB-CD1 3.86Å; V50-L147 HydrophobicContact CG2-CD1 4.3Å; V145-L147 HydrophobicContact CB-CD2 4.44Å; V145-L147 HydrophobicContact CG1-CD2 3.67Å; V145-L147 HydrophobicContact CG1-CG 4.42Å; V145-L147 PolarHBondContact O-N 3.11Å; L147-F157 HydrophobicContact CD2-CD2 3.95Å; L147-F157 HydrophobicContact CD2-CE2 3.78Å; L147-F157 HydrophobicContact CD2-CZ 4.27Å; L147-L177 HydrophobicContact CD1-CD2 3.79Å; L147-L177 HydrophobicContact CD2-CD1 3.76Å; L147-L177 HydrophobicContact CD2-CD2 3.82Å; L147-L177 HydrophobicContact CD2-CG 4.47Å; L147-L177 HydrophobicContact CG-CD2 4.49Å; L147-M182 HydrophobicContact CD1-CE 4.29Å; L147-M183 HydrophobicContact CB-CE 3.86Å; L147-M183 HydrophobicContact CD2-CE 3.88Å; L147-M183 HydrophobicContact CG-CE 4.36Å; L147-M183 WeakPolarHBondContact O-CE 3.38Å
148	Y	98.3	Very high	97.9	Very high	50 Å²	50	54.3 Å²	54.3	20%	0.196	27%	0.267	C	S	.	.			trans	-92.2	157.6	173.8	56.7	-97.3	0	0	0	111.1	L40 I44 P146 Q150 G156 F157	L40-Y148 HydrophobicContact CD2-CD2 4.37Å; L40-Y148 HydrophobicContact CD2-CE1 4.08Å; L40-Y148 HydrophobicContact CD2-CE2 3.6Å; L40-Y148 VanDerWaalsContact CD2-CZ 3.44Å; L40-Y148 WeakPolarHBondContact CD2-OH 3.41Å; I44-Y148 HydrophobicContact CG2-CD2 4.04Å; I44-Y148 HydrophobicContact CG2-CG 3.79Å; P146-Y148 HydrophobicContact CB-CD1 4.25Å; P146-Y148 HydrophobicContact CB-CE1 3.59Å; P146-Y148 HydrophobicContact CB-CE2 4.21Å; P146-Y148 PolarHBondContact O-N 2.89Å; Y148-Q150 HydrophobicContact CD2-CG 4.31Å; Y148-Q150 HydrophobicContact CE2-CG 4.28Å; Y148-G156 CarbonylContact O-C 3.55Å; Y148-G156 WeakPolarHBondContact O-CA 3.49Å; Y148-F157 PolarHBondContact O-N 3.22Å
149	T	98.5	Very high	98.1	Very high	64 Å²	64	51.6 Å²	51.6	39%	0.393	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-119.7	129.8	169	-55.6	0	0	0	0	109.2	G155 P158	T149-G155 CarbonylContact C-O 3.43Å; T149-G155 WeakPolarHBondContact CA-O 3.18Å; T149-P158 HydrophobicContact CG2-CG 3.88Å
150	Q	98.1	Very high	98.1	Very high	60 Å²	60	52 Å²	52	28%	0.28	26%	0.257	S	S	.	.			trans	-75.9	172.3	178.6	-67.3	-176.8	-33.3	0	0	111.9	I44 Y148 D152 R153 G155	I44-Q150 HydrophobicContact CD1-CG 4.07Å; Y148-Q150 HydrophobicContact CD2-CG 4.31Å; Y148-Q150 HydrophobicContact CE2-CG 4.28Å; Q150-D152 WeakPolarHBondContact CB-OD1 3.47Å; Q150-D152 PolarHBondContact O-N 3.33Å; Q150-R153 PolarHBondContact O-N 3Å; Q150-G155 PolarHBondContact N-O 3.4Å
151	K	97	Very high	98.1	Very high	181 Å²	181	47.8 Å²	47.8	79%	0.787	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.2	-176	-71.3	-172.6	174	-176	0	113.8	R153	K151-R153 PolarHBondContact O-N 3.3Å
152	D	96.5	Very high	98.1	Very high	91 Å²	91	47.8 Å²	47.8	49%	0.487	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-2.5	174.8	66.8	-6.1	0	0	0	113.3	Q150 V154 G155	Q150-D152 WeakPolarHBondContact CB-OD1 3.47Å; Q150-D152 PolarHBondContact O-N 3.33Å; D152-V154 HydrophobicContact CB-CG2 4.2Å; D152-V154 PolarHBondContact O-N 3.03Å; D152-V154 PolarHBondContact OD1-N 3.05Å; D152-V154 WeakPolarHBondContact OD2-CG2 3.33Å; D152-G155 PolarHBondContact OD1-N 3Å; D152-G155 PolarHBondContact OD2-N 3.23Å
153	R	96.3	Very high	98.1	Very high	191 Å²	191	49.6 Å²	49.6	72%	0.721	24%	0.242	S	C	*	.	S	Bend	trans	64.9	6.9	-178.7	-52	-175.9	-178.2	-176.3	-0.5	114.9	Q150 K151	Q150-R153 PolarHBondContact O-N 3Å; K151-R153 PolarHBondContact O-N 3.3Å
154	V	96.6	Very high	98.1	Very high	48 Å²	48	49.9 Å²	49.9	29%	0.291	25%	0.25	S	C	.	.	S	Bend	trans	-127.5	-32.9	-178.9	-64.4	0	0	0	0	113.1	D152 N159	D152-V154 HydrophobicContact CB-CG2 4.2Å; D152-V154 PolarHBondContact O-N 3.03Å; D152-V154 PolarHBondContact OD1-N 3.05Å; D152-V154 WeakPolarHBondContact OD2-CG2 3.33Å; V154-N159 WeakPolarHBondContact O-CB 3.33Å; V154-N159 PolarHBondContact O-N 3.13Å; V154-N159 PolarHBondContact O-ND2 3.48Å; V154-N159 PolarHBondContact O-OD1 3.03Å
155	G	98.3	Very high	98	Very high	2 Å²	2	47 Å²	47	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	136.1	178.4	0	0	0	0	0	112.5	T149 Q150 D152	T149-G155 CarbonylContact C-O 3.43Å; T149-G155 WeakPolarHBondContact CA-O 3.18Å; Q150-G155 PolarHBondContact N-O 3.4Å; D152-G155 PolarHBondContact OD1-N 3Å; D152-G155 PolarHBondContact OD2-N 3.23Å
156	G	98.5	Very high	97.8	Very high	11 Å²	11	49 Å²	49	11%	0.113	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	92	-125.8	-174.5	0	0	0	0	0	112.3	Y148 N159 F160	Y148-G156 CarbonylContact O-C 3.55Å; Y148-G156 WeakPolarHBondContact O-CA 3.49Å; G156-N159 PolarHBondContact O-N 3.27Å; G156-F160 PolarHBondContact O-N 2.68Å
157	F	98.7	Very high	96.7	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-44.4	-169.6	-165.7	-134.5	0	0	0	114.2	V145 P146 L147 Y148 N159 F160 L161 L173 L174 L177 M183 L188 A191	V145-F157 HydrophobicContact CG1-CD2 3.94Å; V145-F157 HydrophobicContact CG1-CE2 3.83Å; P146-F157 WeakPolarHBondContact O-CA 3.35Å; P146-F157 WeakPolarHBondContact O-CB 3.5Å; P146-F157 PolarHBondContact O-N 3.29Å; L147-F157 HydrophobicContact CD2-CD2 3.95Å; L147-F157 HydrophobicContact CD2-CE2 3.78Å; L147-F157 HydrophobicContact CD2-CZ 4.27Å; Y148-F157 PolarHBondContact O-N 3.22Å; F157-N159 PolarHBondContact O-N 3.14Å; F157-F160 WeakPolarHBondContact O-CB 3.41Å; F157-F160 PolarHBondContact O-N 2.96Å; F157-F160 VanDerWaalsContact O-N 3.17Å; F157-L161 HydrophobicContact CD1-CD1 4.07Å; F157-L161 HydrophobicContact CD2-CG 4.23Å; F157-L161 HydrophobicContact CE1-CD1 3.68Å; F157-L161 HydrophobicContact CE1-CG 4.29Å; F157-L161 HydrophobicContact CE2-CD1 4.21Å; F157-L161 HydrophobicContact CE2-CD2 3.9Å; F157-L161 HydrophobicContact CE2-CG 3.92Å; F157-L161 HydrophobicContact CG-CD1 4.48Å; F157-L161 HydrophobicContact CZ-CD1 3.76Å; F157-L161 HydrophobicContact CZ-CD2 3.91Å; F157-L161 HydrophobicContact CZ-CG 3.96Å; F157-L161 WeakPolarHBondContact O-CG 3.44Å; F157-L161 PolarHBondContact O-N 2.92Å; F157-L173 HydrophobicContact CE2-CD2 4.38Å; F157-L174 HydrophobicContact CZ-CD2 4.08Å; F157-L177 HydrophobicContact CE1-CD1 4.48Å; F157-L177 HydrophobicContact CE2-CD1 4.15Å; F157-L177 HydrophobicContact CZ-CD1 3.64Å; F157-M183 HydrophobicContact CD1-CE 3.71Å; F157-M183 HydrophobicContact CD1-SD 3.91Å; F157-M183 HydrophobicContact CE1-CE 3.73Å; F157-M183 HydrophobicContact CE1-SD 3.64Å; F157-M183 HydrophobicContact CG-CE 4.33Å; F157-M183 HydrophobicContact CZ-CE 4.33Å; F157-L188 HydrophobicContact CE1-CD2 3.96Å; F157-L188 HydrophobicContact CZ-CD2 4.19Å; F157-A191 HydrophobicContact CD1-CB 3.45Å; F157-A191 VanDerWaalsContact CD1-CB 3.45Å; F157-A191 HydrophobicContact CE1-CB 3.9Å; F157-A191 HydrophobicContact CG-CB 4.42Å
158	P	98.6	Very high	96.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-43.4	178.2	-21	33.3	0	0	0	112.5	T149 F160 L161 S162 A191 A194 A195	T149-P158 HydrophobicContact CG2-CG 3.88Å; P158-F160 VanDerWaalsContact C-N 3.31Å; P158-F160 PolarHBondContact O-N 3.26Å; P158-L161 PolarHBondContact O-N 3.33Å; P158-S162 PolarHBondContact O-N 2.91Å; P158-S162 VanDerWaalsContact O-N 3.09Å; P158-A191 HydrophobicContact CG-CB 4.12Å; P158-A194 HydrophobicContact CB-CB 3.9Å; P158-A194 HydrophobicContact CG-CB 4.31Å; P158-A195 WeakPolarHBondContact O-CB 3.48Å
159	N	98.6	Very high	96.4	Very high	55 Å²	55	49.2 Å²	49.2	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-41.1	173.4	-82.5	-12.8	0	0	0	111.7	V154 G156 F157 S162 N163 K198	V154-N159 WeakPolarHBondContact O-CB 3.33Å; V154-N159 PolarHBondContact O-N 3.13Å; V154-N159 PolarHBondContact O-ND2 3.48Å; V154-N159 PolarHBondContact O-OD1 3.03Å; G156-N159 PolarHBondContact O-N 3.27Å; F157-N159 PolarHBondContact O-N 3.14Å; N159-S162 WeakPolarHBondContact O-CB 3.48Å; N159-S162 PolarHBondContact O-N 3.17Å; N159-S162 VanDerWaalsContact O-N 3.13Å; N159-S162 PolarHBondContact O-OG 3.43Å; N159-N163 PolarHBondContact O-ND2 2.89Å; N159-K198 WeakPolarHBondContact OD1-CD 3.42Å; N159-K198 WeakPolarHBondContact OD1-CE 3.37Å
160	F	98.8	Very high	96.3	Very high	18 Å²	18	47.8 Å²	47.8	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-47	175.2	-177.8	-93.7	0	0	0	111.7	M52 L60 V143 V145 P146 G156 F157 P158 S162 N163 F165 L173	M52-F160 HydrophobicContact SD-CE1 3.9Å; M52-F160 HydrophobicContact SD-CZ 3.74Å; L60-F160 HydrophobicContact CD1-CE2 3.92Å; L60-F160 HydrophobicContact CD1-CZ 3.94Å; V143-F160 HydrophobicContact CG2-CE2 4.19Å; V145-F160 HydrophobicContact CB-CE1 4.26Å; V145-F160 HydrophobicContact CB-CZ 4.32Å; V145-F160 HydrophobicContact CG1-CD1 3.76Å; V145-F160 HydrophobicContact CG1-CE1 3.71Å; V145-F160 HydrophobicContact CG1-CG 4.33Å; V145-F160 HydrophobicContact CG1-CZ 4.25Å; V145-F160 HydrophobicContact CG2-CE1 3.82Å; V145-F160 HydrophobicContact CG2-CE2 4.42Å; V145-F160 HydrophobicContact CG2-CZ 3.7Å; P146-F160 HydrophobicContact CG-CB 3.85Å; P146-F160 HydrophobicContact CG-CD2 4.38Å; P146-F160 HydrophobicContact CG-CG 4.31Å; G156-F160 PolarHBondContact O-N 2.68Å; F157-F160 WeakPolarHBondContact O-CB 3.41Å; F157-F160 PolarHBondContact O-N 2.96Å; F157-F160 VanDerWaalsContact O-N 3.17Å; P158-F160 VanDerWaalsContact C-N 3.31Å; P158-F160 PolarHBondContact O-N 3.26Å; F160-S162 PolarHBondContact O-N 2.86Å; F160-N163 WeakPolarHBondContact CA-ND2 3.39Å; F160-N163 WeakPolarHBondContact O-CB 3.48Å; F160-N163 PolarHBondContact O-N 3.36Å; F160-N163 VanDerWaalsContact O-N 3.15Å; F160-N163 PolarHBondContact O-ND2 3.5Å; F160-F165 HydrophobicContact CD1-CE1 4.41Å; F160-F165 AromaticContact CD1-CZ 3.83Å; F160-F165 HydrophobicContact CD1-CZ 3.83Å; F160-F165 AromaticContact CE1-CE1 3.63Å; F160-F165 HydrophobicContact CE1-CE1 3.63Å; F160-F165 AromaticContact CE1-CZ 3.5Å; F160-F165 HydrophobicContact CE1-CZ 3.5Å; F160-F165 AromaticContact CZ-CE1 4Å; F160-F165 HydrophobicContact CZ-CE1 4Å; F160-F165 HydrophobicContact CZ-CZ 4.06Å; F160-F165 WeakPolarHBondContact O-CE2 3.44Å; F160-F165 VanDerWaalsContact O-CZ 3.32Å; F160-F165 WeakPolarHBondContact O-CZ 3.16Å; F160-L173 HydrophobicContact CE1-CD2 3.95Å
161	L	98.3	Very high	96.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-15.9	177.1	-68.6	179	0	0	0	113.8	F157 P158 N163 K170 L173 L174 A191 L192 A195	F157-L161 HydrophobicContact CD1-CD1 4.07Å; F157-L161 HydrophobicContact CD2-CG 4.23Å; F157-L161 HydrophobicContact CE1-CD1 3.68Å; F157-L161 HydrophobicContact CE1-CG 4.29Å; F157-L161 HydrophobicContact CE2-CD1 4.21Å; F157-L161 HydrophobicContact CE2-CD2 3.9Å; F157-L161 HydrophobicContact CE2-CG 3.92Å; F157-L161 HydrophobicContact CG-CD1 4.48Å; F157-L161 HydrophobicContact CZ-CD1 3.76Å; F157-L161 HydrophobicContact CZ-CD2 3.91Å; F157-L161 HydrophobicContact CZ-CG 3.96Å; F157-L161 WeakPolarHBondContact O-CG 3.44Å; F157-L161 PolarHBondContact O-N 2.92Å; P158-L161 PolarHBondContact O-N 3.33Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-K170 PolarHBondContact O-NZ 3.49Å; L161-L173 HydrophobicContact CD2-CD2 4.29Å; L161-L174 HydrophobicContact CD1-CD2 4.19Å; L161-L174 HydrophobicContact CD2-CD2 4.07Å; L161-A191 HydrophobicContact CD1-CB 4.08Å; L161-L192 HydrophobicContact CD1-CB 4.49Å; L161-A195 HydrophobicContact CB-CB 3.73Å
162	S	97.8	Very high	96.3	Very high	18 Å²	18	37.1 Å²	37.1	13%	0.126	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.1	175.7	78.4	0	0	0	0	114.4	P158 N159 F160 K198 Q199	P158-S162 PolarHBondContact O-N 2.91Å; P158-S162 VanDerWaalsContact O-N 3.09Å; N159-S162 WeakPolarHBondContact O-CB 3.48Å; N159-S162 PolarHBondContact O-N 3.17Å; N159-S162 VanDerWaalsContact O-N 3.13Å; N159-S162 PolarHBondContact O-OG 3.43Å; F160-S162 PolarHBondContact O-N 2.86Å; S162-K198 PolarHBondContact OG-NZ 3.14Å; S162-Q199 PolarHBondContact O-NE2 2.86Å
163	N	98.5	Very high	96.4	Very high	79 Å²	79	32.8 Å²	32.8	42%	0.422	18%	0.18	S	C	.	.	S	Bend	trans	-69.1	170.2	172.2	-71.3	-69.7	0	0	0	112.2	L60 N159 F160 L161 F165	L60-N163 HydrophobicContact CD1-CB 3.68Å; N159-N163 PolarHBondContact O-ND2 2.89Å; F160-N163 WeakPolarHBondContact CA-ND2 3.39Å; F160-N163 WeakPolarHBondContact O-CB 3.48Å; F160-N163 PolarHBondContact O-N 3.36Å; F160-N163 VanDerWaalsContact O-N 3.15Å; F160-N163 PolarHBondContact O-ND2 3.5Å; L161-N163 VanDerWaalsContact C-N 3.33Å; N163-F165 HydrophobicContact CB-CE2 3.93Å; N163-F165 HydrophobicContact CB-CZ 4.4Å; N163-F165 WeakPolarHBondContact O-CD2 3.3Å; N163-F165 WeakPolarHBondContact O-CE2 3.25Å
164	A	98.1	Very high	96.5	Very high	58 Å²	58	23.7 Å²	23.7	48%	0.479	15%	0.146	S	C	.	.			trans	-81.5	127.2	170.4	0	0	0	0	0	110.2	L59 L60	L59-A164 HydrophobicContact CD2-CB 3.55Å; L60-A164 PolarHBondContact N-O 2.91Å
165	F	97.6	Very high	96.5	Very high	22 Å²	22	23.5 Å²	23.5	10%	0.096	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-120.5	154.2	178.7	-67.6	-98.5	0	0	0	109.4	M52 L60 F160 N163 S167 K170	M52-F165 HydrophobicContact CE-CD1 3.99Å; M52-F165 HydrophobicContact CE-CE1 4.02Å; M52-F165 HydrophobicContact SD-CE1 3.96Å; L60-F165 HydrophobicContact CB-CD1 3.62Å; L60-F165 HydrophobicContact CB-CE1 3.79Å; L60-F165 HydrophobicContact CB-CG 4.2Å; L60-F165 HydrophobicContact CD1-CD1 4.43Å; L60-F165 HydrophobicContact CD1-CE1 3.85Å; L60-F165 HydrophobicContact CD1-CE2 4.43Å; L60-F165 HydrophobicContact CD1-CZ 3.85Å; L60-F165 WeakPolarHBondContact O-CA 3.45Å; F160-F165 HydrophobicContact CD1-CE1 4.41Å; F160-F165 AromaticContact CD1-CZ 3.83Å; F160-F165 HydrophobicContact CD1-CZ 3.83Å; F160-F165 AromaticContact CE1-CE1 3.63Å; F160-F165 HydrophobicContact CE1-CE1 3.63Å; F160-F165 AromaticContact CE1-CZ 3.5Å; F160-F165 HydrophobicContact CE1-CZ 3.5Å; F160-F165 AromaticContact CZ-CE1 4Å; F160-F165 HydrophobicContact CZ-CE1 4Å; F160-F165 HydrophobicContact CZ-CZ 4.06Å; F160-F165 WeakPolarHBondContact O-CE2 3.44Å; F160-F165 VanDerWaalsContact O-CZ 3.32Å; F160-F165 WeakPolarHBondContact O-CZ 3.16Å; N163-F165 HydrophobicContact CB-CE2 3.93Å; N163-F165 HydrophobicContact CB-CZ 4.4Å; N163-F165 WeakPolarHBondContact O-CD2 3.3Å; N163-F165 WeakPolarHBondContact O-CE2 3.25Å; F165-S167 PolarHBondContact O-N 2.88Å; F165-K170 HydrophobicContact CB-CB 3.84Å; F165-K170 HydrophobicContact CD1-CB 4.24Å; F165-K170 HydrophobicContact CD2-CB 4.33Å; F165-K170 HydrophobicContact CD2-CD 3.87Å; F165-K170 HydrophobicContact CD2-CG 4.32Å; F165-K170 HydrophobicContact CE2-CD 4.34Å; F165-K170 HydrophobicContact CG-CB 3.89Å; F165-K170 HydrophobicContact CG-CD 4.29Å; F165-K170 HydrophobicContact CG-CG 4.34Å
166	V	94.1	Very high	96.6	Very high	45 Å²	45	23.4 Å²	23.4	27%	0.273	14%	0.141	S	C	.	.			trans	-58.4	123.2	153.6	179.4	0	0	0	0	106.7	L59 L60 T168 A169 K170	L59-V166 HydrophobicContact CB-CG2 3.97Å; L59-V166 HydrophobicContact CD1-CG2 4.1Å; L60-V166 PolarHBondContact O-N 3.4Å; V166-T168 VanDerWaalsContact C-N 3.25Å; V166-T168 PolarHBondContact O-N 2.76Å; V166-T168 VanDerWaalsContact O-N 3.11Å; V166-A169 HydrophobicContact CB-CB 4.14Å; V166-A169 WeakPolarHBondContact O-CA 3.42Å; V166-A169 WeakPolarHBondContact O-CB 3.42Å; V166-A169 PolarHBondContact O-N 3.32Å; V166-K170 PolarHBondContact O-N 2.68Å
167	S	74.9	Confident	96.6	Very high	64 Å²	64	22.9 Å²	22.9	45%	0.448	14%	0.135	S	C	.	.	H	α-helix	trans	-44.1	-51.9	-172.2	167	0	0	0	0	112.2	F165 A169 K170 C171	F165-S167 PolarHBondContact O-N 2.88Å; S167-A169 VanDerWaalsContact C-N 3.32Å; S167-A169 PolarHBondContact O-N 3.31Å; S167-K170 PolarHBondContact O-N 2.99Å; S167-C171 PolarHBondContact O-N 3.47Å
168	T	94	Very high	96.5	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-36.8	179	-50.3	0	0	0	0	114	L9 T102 A110 V166 K170 C171 Q172	L9-T168 HydrophobicContact CD1-CG2 3.73Å; T102-T168 HydrophobicContact CG2-CG2 4.17Å; T102-T168 WeakPolarHBondContact CG2-OG1 3.37Å; A110-T168 HydrophobicContact CB-CG2 3.49Å; A110-T168 VanDerWaalsContact CB-CG2 3.49Å; V166-T168 VanDerWaalsContact C-N 3.25Å; V166-T168 PolarHBondContact O-N 2.76Å; V166-T168 VanDerWaalsContact O-N 3.11Å; T168-K170 PolarHBondContact O-N 2.98Å; T168-C171 PolarHBondContact O-N 2.86Å; T168-Q172 HydrophobicContact CG2-CG 4.18Å; T168-Q172 VanDerWaalsContact O-CB 3.31Å; T168-Q172 WeakPolarHBondContact O-CB 3.4Å; T168-Q172 VanDerWaalsContact O-CG 3.24Å; T168-Q172 WeakPolarHBondContact O-CG 3.27Å; T168-Q172 PolarHBondContact O-N 3.45Å
169	A	97	Very high	96.5	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-35.6	-177.3	0	0	0	0	0	112.3	M52 F62 V166 S167 L173	M52-A169 HydrophobicContact CE-CB 4.14Å; F62-A169 HydrophobicContact CD2-CB 4.37Å; V166-A169 HydrophobicContact CB-CB 4.14Å; V166-A169 WeakPolarHBondContact O-CA 3.42Å; V166-A169 WeakPolarHBondContact O-CB 3.42Å; V166-A169 PolarHBondContact O-N 3.32Å; S167-A169 VanDerWaalsContact C-N 3.32Å; S167-A169 PolarHBondContact O-N 3.31Å; A169-L173 WeakPolarHBondContact O-CB 3.35Å; A169-L173 PolarHBondContact O-N 2.88Å
170	K	97.3	Very high	96.5	Very high	34 Å²	34	28.6 Å²	28.6	15%	0.148	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-44.8	175.5	-172.3	171.8	177	173.4	0	111.2	L161 F165 V166 S167 T168 L173 L174	L161-K170 PolarHBondContact O-NZ 3.49Å; F165-K170 HydrophobicContact CB-CB 3.84Å; F165-K170 HydrophobicContact CD1-CB 4.24Å; F165-K170 HydrophobicContact CD2-CB 4.33Å; F165-K170 HydrophobicContact CD2-CD 3.87Å; F165-K170 HydrophobicContact CD2-CG 4.32Å; F165-K170 HydrophobicContact CE2-CD 4.34Å; F165-K170 HydrophobicContact CG-CB 3.89Å; F165-K170 HydrophobicContact CG-CD 4.29Å; F165-K170 HydrophobicContact CG-CG 4.34Å; V166-K170 PolarHBondContact O-N 2.68Å; S167-K170 PolarHBondContact O-N 2.99Å; T168-K170 PolarHBondContact O-N 2.98Å; K170-L173 PolarHBondContact O-N 3.05Å; K170-L174 HydrophobicContact CG-CD1 4.45Å; K170-L174 WeakPolarHBondContact O-CG 3.25Å; K170-L174 PolarHBondContact O-N 2.97Å; K170-L174 VanDerWaalsContact O-N 3.15Å
171	C	96.4	Very high	96.5	Very high	14 Å²	14	34.6 Å²	34.6	10%	0.095	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-45	175.8	-58.3	0	0	0	0	111.2	L9 S167 T168 L173 L174 F175	L9-C171 HydrophobicContact CD1-CB 4.11Å; L9-C171 HydrophobicContact CG-CB 4.02Å; S167-C171 PolarHBondContact O-N 3.47Å; T168-C171 PolarHBondContact O-N 2.86Å; C171-L173 VanDerWaalsContact C-N 3.34Å; C171-L173 PolarHBondContact O-N 2.86Å; C171-L174 PolarHBondContact O-N 2.85Å; C171-F175 VanDerWaalsContact O-CB 3.27Å; C171-F175 WeakPolarHBondContact O-CB 3.45Å; C171-F175 PolarHBondContact O-N 2.93Å
172	Q	97.8	Very high	96.5	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-40.4	176.2	-79.2	177.8	-32.4	0	0	112.8	F62 L112 T168 A176	F62-Q172 HydrophobicContact CD2-CB 4.35Å; F62-Q172 HydrophobicContact CE2-CB 3.95Å; L112-Q172 HydrophobicContact CB-CG 4.49Å; L112-Q172 HydrophobicContact CD1-CB 4.32Å; L112-Q172 HydrophobicContact CD1-CG 4.48Å; L112-Q172 HydrophobicContact CD2-CB 3.87Å; L112-Q172 HydrophobicContact CD2-CG 4.08Å; T168-Q172 HydrophobicContact CG2-CG 4.18Å; T168-Q172 VanDerWaalsContact O-CB 3.31Å; T168-Q172 WeakPolarHBondContact O-CB 3.4Å; T168-Q172 VanDerWaalsContact O-CG 3.24Å; T168-Q172 WeakPolarHBondContact O-CG 3.27Å; T168-Q172 PolarHBondContact O-N 3.45Å; Q172-A176 VanDerWaalsContact O-CB 3.23Å; Q172-A176 WeakPolarHBondContact O-CB 3.36Å; Q172-A176 PolarHBondContact O-N 2.98Å
173	L	98.5	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-51.3	176.3	175.2	65.4	0	0	0	111.1	V50 M52 F62 V145 F157 F160 L161 A169 K170 C171 A176 L177	V50-L173 HydrophobicContact CG1-CD1 4.32Å; M52-L173 HydrophobicContact SD-CD2 3.93Å; F62-L173 HydrophobicContact CE2-CB 4.11Å; F62-L173 HydrophobicContact CZ-CB 3.89Å; F62-L173 HydrophobicContact CZ-CD1 3.92Å; V145-L173 HydrophobicContact CG1-CD2 4.4Å; V145-L173 HydrophobicContact CG2-CD1 4.42Å; F157-L173 HydrophobicContact CE2-CD2 4.38Å; F160-L173 HydrophobicContact CE1-CD2 3.95Å; L161-L173 HydrophobicContact CD2-CD2 4.29Å; A169-L173 WeakPolarHBondContact O-CB 3.35Å; A169-L173 PolarHBondContact O-N 2.88Å; K170-L173 PolarHBondContact O-N 3.05Å; C171-L173 VanDerWaalsContact C-N 3.34Å; C171-L173 PolarHBondContact O-N 2.86Å; L173-A176 PolarHBondContact O-N 3.28Å; L173-L177 HydrophobicContact CD1-CD1 3.92Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.42Å
174	L	97.9	Very high	96.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-42.8	-178.4	-62.1	172.8	0	0	0	111.3	V6 P7 F157 L161 K170 C171 K178 L188 L192	V6-L174 HydrophobicContact CG1-CB 3.82Å; V6-L174 HydrophobicContact CG1-CD1 3.94Å; V6-L174 HydrophobicContact CG1-CG 4.49Å; P7-L174 HydrophobicContact CG-CD1 4.21Å; F157-L174 HydrophobicContact CZ-CD2 4.08Å; L161-L174 HydrophobicContact CD1-CD2 4.19Å; L161-L174 HydrophobicContact CD2-CD2 4.07Å; K170-L174 HydrophobicContact CG-CD1 4.45Å; K170-L174 WeakPolarHBondContact O-CG 3.25Å; K170-L174 PolarHBondContact O-N 2.97Å; K170-L174 VanDerWaalsContact O-N 3.15Å; C171-L174 PolarHBondContact O-N 2.85Å; L174-K178 PolarHBondContact O-N 2.86Å; L174-L188 HydrophobicContact CD2-CD2 3.84Å; L174-L188 WeakPolarHBondContact O-CD1 3.36Å; L174-L192 HydrophobicContact CD1-CD1 4.41Å; L174-L192 HydrophobicContact CD1-CD2 4.29Å
175	F	97.9	Very high	96.3	Very high	44 Å²	44	34.8 Å²	34.8	19%	0.193	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-52.9	174.2	171	-95	0	0	0	111.6	L97 S98 L112 C171 L177 K178 V179	L97-F175 HydrophobicContact CD2-CE1 4.2Å; L97-F175 HydrophobicContact CG-CE1 4.13Å; S98-F175 WeakPolarHBondContact OG-CE1 3.29Å; L112-F175 HydrophobicContact CD2-CD1 4.47Å; C171-F175 VanDerWaalsContact O-CB 3.27Å; C171-F175 WeakPolarHBondContact O-CB 3.45Å; C171-F175 PolarHBondContact O-N 2.93Å; F175-L177 PolarHBondContact O-N 2.94Å; F175-K178 WeakPolarHBondContact O-CB 3.31Å; F175-K178 PolarHBondContact O-N 3.28Å; F175-V179 HydrophobicContact CD1-CG2 4.2Å; F175-V179 HydrophobicContact CD2-CG1 4.17Å; F175-V179 HydrophobicContact CE1-CG1 4.34Å; F175-V179 HydrophobicContact CE1-CG2 3.77Å; F175-V179 HydrophobicContact CE2-CG1 3.73Å; F175-V179 HydrophobicContact CZ-CG1 3.82Å; F175-V179 HydrophobicContact CZ-CG2 4.02Å; F175-V179 WeakPolarHBondContact O-CG2 3.3Å; F175-V179 PolarHBondContact O-N 3.33Å
176	A	98.5	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-40	-176.1	0	0	0	0	0	112.3	M31 L97 L112 Q172 L173 K178 V179 L180	M31-A176 HydrophobicContact CE-CB 4.35Å; M31-A176 HydrophobicContact SD-CB 3.29Å; M31-A176 WeakPolarHBondContact SD-CB 3.43Å; L97-A176 HydrophobicContact CD2-CB 3.81Å; L112-A176 HydrophobicContact CD2-CB 4.03Å; Q172-A176 VanDerWaalsContact O-CB 3.23Å; Q172-A176 WeakPolarHBondContact O-CB 3.36Å; Q172-A176 PolarHBondContact O-N 2.98Å; L173-A176 PolarHBondContact O-N 3.28Å; A176-K178 PolarHBondContact O-N 3Å; A176-V179 PolarHBondContact O-N 3.44Å; A176-L180 HydrophobicContact CB-CD1 4.26Å; A176-L180 WeakPolarHBondContact O-CB 3.39Å; A176-L180 VanDerWaalsContact O-CG 3.24Å; A176-L180 WeakPolarHBondContact O-CG 3.34Å; A176-L180 PolarHBondContact O-N 3.46Å
177	L	98.6	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-35.4	175.3	-71.7	172.3	0	0	0	112.7	M31 V50 L147 F157 L173 F175 M182 M183 L188	M31-L177 HydrophobicContact CE-CD2 4.07Å; V50-L177 HydrophobicContact CG2-CD2 4.4Å; L147-L177 HydrophobicContact CD1-CD2 3.79Å; L147-L177 HydrophobicContact CD2-CD1 3.76Å; L147-L177 HydrophobicContact CD2-CD2 3.82Å; L147-L177 HydrophobicContact CD2-CG 4.47Å; L147-L177 HydrophobicContact CG-CD2 4.49Å; F157-L177 HydrophobicContact CE1-CD1 4.48Å; F157-L177 HydrophobicContact CE2-CD1 4.15Å; F157-L177 HydrophobicContact CZ-CD1 3.64Å; L173-L177 HydrophobicContact CD1-CD1 3.92Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.42Å; F175-L177 PolarHBondContact O-N 2.94Å; L177-M182 HydrophobicContact CD2-CB 3.89Å; L177-M182 HydrophobicContact CD2-CE 4.06Å; L177-M182 HydrophobicContact CD2-SD 4.01Å; L177-M182 PolarHBondContact O-N 3.01Å; L177-M183 HydrophobicContact CB-CB 4.33Å; L177-M183 PolarHBondContact O-N 2.92Å; L177-L188 HydrophobicContact CB-CD1 4.35Å; L177-L188 HydrophobicContact CB-CD2 3.91Å; L177-L188 HydrophobicContact CD1-CD2 3.82Å
178	K	97.8	Very high	97.4	Very high	70 Å²	70	40.2 Å²	40.2	30%	0.304	20%	0.203	S	C	.	.	H	α-helix	trans	-70.7	-59.7	175.2	178.1	179.1	173.3	175.6	0	111.2	L174 F175 A176 L180 N181 E185 L188	L174-K178 PolarHBondContact O-N 2.86Å; F175-K178 WeakPolarHBondContact O-CB 3.31Å; F175-K178 PolarHBondContact O-N 3.28Å; A176-K178 PolarHBondContact O-N 3Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.92Å; K178-N181 PolarHBondContact O-N 3Å; K178-E185 HydrophobicContact CD-CB 4.45Å; K178-E185 HydrophobicContact CD-CG 4.46Å; K178-E185 WeakPolarHBondContact CE-OE2 3.38Å; K178-E185 IonicContact NZ-OE1 2.88Å; K178-E185 PolarHBondContact NZ-OE1 3.29Å; K178-E185 IonicContact NZ-OE2 2.98Å; K178-E185 PolarHBondContact NZ-OE2 3.21Å; K178-L188 HydrophobicContact CB-CD1 3.75Å
179	V	98.2	Very high	97.6	Very high	62 Å²	62	40.7 Å²	40.7	38%	0.376	21%	0.209	S	C	.	.	H	α-helix	trans	-71.4	-22.9	-171.1	-56.6	0	0	0	0	113.6	L97 F175 A176 N181	L97-V179 HydrophobicContact CD1-CG2 4.02Å; L97-V179 HydrophobicContact CD2-CG2 4.08Å; L97-V179 HydrophobicContact CG-CG2 4.34Å; F175-V179 HydrophobicContact CD1-CG2 4.2Å; F175-V179 HydrophobicContact CD2-CG1 4.17Å; F175-V179 HydrophobicContact CE1-CG1 4.34Å; F175-V179 HydrophobicContact CE1-CG2 3.77Å; F175-V179 HydrophobicContact CE2-CG1 3.73Å; F175-V179 HydrophobicContact CZ-CG1 3.82Å; F175-V179 HydrophobicContact CZ-CG2 4.02Å; F175-V179 WeakPolarHBondContact O-CG2 3.3Å; F175-V179 PolarHBondContact O-N 3.33Å; A176-V179 PolarHBondContact O-N 3.44Å; V179-N181 VanDerWaalsContact C-N 3.28Å
180	L	98.4	Very high	97.6	Very high	45 Å²	45	45 Å²	45	24%	0.236	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8	172.7	-59.2	173.2	0	0	0	112.9	M31 Y33 L97 A114 A176 K178 M182	M31-L180 HydrophobicContact CE-CD1 4.45Å; M31-L180 HydrophobicContact SD-CD1 4.27Å; Y33-L180 HydrophobicContact CE1-CD1 3.83Å; L97-L180 HydrophobicContact CD1-CD2 4.07Å; L97-L180 HydrophobicContact CD2-CD1 4.28Å; L97-L180 HydrophobicContact CD2-CD2 4.48Å; L97-L180 HydrophobicContact CD2-CG 4.33Å; A114-L180 HydrophobicContact CB-CD1 3.85Å; A176-L180 HydrophobicContact CB-CD1 4.26Å; A176-L180 WeakPolarHBondContact O-CB 3.39Å; A176-L180 VanDerWaalsContact O-CG 3.24Å; A176-L180 WeakPolarHBondContact O-CG 3.34Å; A176-L180 PolarHBondContact O-N 3.46Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.92Å; L180-M182 HydrophobicContact CB-CG 3.97Å; L180-M182 HydrophobicContact CB-SD 4.07Å; L180-M182 HydrophobicContact CD1-SD 4.19Å; L180-M182 PolarHBondContact O-N 3.22Å; L180-M182 VanDerWaalsContact O-N 3.15Å
181	N	98.2	Very high	97.6	Very high	144 Å²	144	43.6 Å²	43.6	77%	0.77	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	30.2	179.6	-59.9	-60.3	0	0	0	114.2	K178 V179	K178-N181 PolarHBondContact O-N 3Å; V179-N181 VanDerWaalsContact C-N 3.28Å
182	M	98.5	Very high	97.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-83.5	-32.4	179	-61.2	174.5	71.2	0	0	111.1	M31 Y33 R47 F48 V50 L147 L177 L180	M31-M182 HydrophobicContact CE-CE 4Å; M31-M182 HydrophobicContact CE-SD 3.58Å; M31-M182 VanDerWaalsContact CE-SD 3.58Å; Y33-M182 HydrophobicContact CD2-CE 3.47Å; Y33-M182 VanDerWaalsContact CD2-CE 3.47Å; Y33-M182 HydrophobicContact CD2-SD 3.79Å; Y33-M182 HydrophobicContact CE2-CE 4.13Å; Y33-M182 HydrophobicContact CE2-SD 3.92Å; Y33-M182 HydrophobicContact CG-CE 3.86Å; Y33-M182 HydrophobicContact CG-SD 4.13Å; R47-M182 VanDerWaalsContact CZ-O 3.31Å; R47-M182 PolarHBondContact NH1-O 2.91Å; R47-M182 PolarHBondContact NH2-O 3.05Å; F48-M182 HydrophobicContact CB-CE 3.43Å; F48-M182 VanDerWaalsContact CB-CE 3.43Å; F48-M182 HydrophobicContact CD1-CE 3.84Å; F48-M182 HydrophobicContact CD2-CB 4.06Å; F48-M182 HydrophobicContact CD2-CE 4.02Å; F48-M182 HydrophobicContact CD2-CG 4.29Å; F48-M182 HydrophobicContact CE2-CB 4.09Å; F48-M182 HydrophobicContact CE2-CG 4.21Å; F48-M182 HydrophobicContact CG-CE 3.52Å; F48-M182 HydrophobicContact CZ-CG 4.38Å; V50-M182 HydrophobicContact CG2-CE 3.77Å; L147-M182 HydrophobicContact CD1-CE 4.29Å; L177-M182 HydrophobicContact CD2-CB 3.89Å; L177-M182 HydrophobicContact CD2-CE 4.06Å; L177-M182 HydrophobicContact CD2-SD 4.01Å; L177-M182 PolarHBondContact O-N 3.01Å; L180-M182 HydrophobicContact CB-CG 3.97Å; L180-M182 HydrophobicContact CB-SD 4.07Å; L180-M182 HydrophobicContact CD1-SD 4.19Å; L180-M182 PolarHBondContact O-N 3.22Å; L180-M182 VanDerWaalsContact O-N 3.15Å
183	M	97.9	Very high	97.6	Very high	11 Å²	11	44.9 Å²	44.9	5%	0.054	23%	0.234	C	C	.	.	S	Bend	trans	-142	134.6	177.1	-166.4	174	-62.2	0	0	111.2	L147 F157 L177 K187 L188	L147-M183 HydrophobicContact CB-CE 3.86Å; L147-M183 HydrophobicContact CD2-CE 3.88Å; L147-M183 HydrophobicContact CG-CE 4.36Å; L147-M183 WeakPolarHBondContact O-CE 3.38Å; F157-M183 HydrophobicContact CD1-CE 3.71Å; F157-M183 HydrophobicContact CD1-SD 3.91Å; F157-M183 HydrophobicContact CE1-CE 3.73Å; F157-M183 HydrophobicContact CE1-SD 3.64Å; F157-M183 HydrophobicContact CG-CE 4.33Å; F157-M183 HydrophobicContact CZ-CE 4.33Å; L177-M183 HydrophobicContact CB-CB 4.33Å; L177-M183 PolarHBondContact O-N 2.92Å; M183-K187 HydrophobicContact CG-CB 3.77Å; M183-K187 HydrophobicContact SD-CB 4.08Å; M183-L188 HydrophobicContact CB-CD2 4Å; M183-L188 HydrophobicContact CB-CG 4.08Å; M183-L188 HydrophobicContact CG-CD2 4.04Å; M183-L188 HydrophobicContact CG-CG 3.98Å; M183-L188 HydrophobicContact SD-CD2 3.48Å; M183-L188 WeakPolarHBondContact SD-CD2 3.43Å; M183-L188 HydrophobicContact SD-CG 3.89Å
184	P	97	Very high	97.6	Very high	63 Å²	63	46 Å²	46	41%	0.409	24%	0.244	S	C	.	.			trans	-59.7	147	171.3	-22.5	33.4	0	0	0	111.8	E186 K187 L188	P184-E186 VanDerWaalsContact C-N 3.27Å; P184-E186 WeakPolarHBondContact CB-OE2 3.45Å; P184-E186 PolarHBondContact O-N 3.18Å; P184-K187 HydrophobicContact CB-CB 4.47Å; P184-K187 HydrophobicContact CB-CG 4.31Å; P184-K187 HydrophobicContact CG-CG 4.32Å; P184-K187 WeakPolarHBondContact O-CB 3.3Å; P184-K187 PolarHBondContact O-N 3.42Å; P184-L188 PolarHBondContact O-N 3.18Å
185	E	95.6	Very high	97.5	Very high	83 Å²	83	46 Å²	46	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-38.4	-179.4	178	162	-153.7	0	0	112.3	K178 K187 L188 A189	K178-E185 HydrophobicContact CD-CB 4.45Å; K178-E185 HydrophobicContact CD-CG 4.46Å; K178-E185 WeakPolarHBondContact CE-OE2 3.38Å; K178-E185 IonicContact NZ-OE1 2.88Å; K178-E185 PolarHBondContact NZ-OE1 3.29Å; K178-E185 IonicContact NZ-OE2 2.98Å; K178-E185 PolarHBondContact NZ-OE2 3.21Å; E185-K187 PolarHBondContact O-N 3.17Å; E185-L188 WeakPolarHBondContact O-CB 3.46Å; E185-L188 PolarHBondContact O-N 3.2Å; E185-A189 PolarHBondContact O-N 2.94Å
186	E	95.9	Very high	97.4	Very high	138 Å²	138	47.1 Å²	47.1	65%	0.645	25%	0.254	S	S	*	.	H	α-helix	trans	-62.7	-35.6	178	-56.3	75.3	-163.5	0	0	111.2	P184 E190	P184-E186 VanDerWaalsContact C-N 3.27Å; P184-E186 WeakPolarHBondContact CB-OE2 3.45Å; P184-E186 PolarHBondContact O-N 3.18Å; E186-E190 VanDerWaalsContact O-CB 3.31Å; E186-E190 WeakPolarHBondContact O-CB 3.23Å; E186-E190 PolarHBondContact O-N 3.31Å
187	K	97.1	Very high	97.3	Very high	106 Å²	106	51.1 Å²	51.1	46%	0.461	27%	0.273	S	S	.	.	H	α-helix	trans	-75.5	-33.5	178	-68.6	-67.9	167.8	-162.6	0	112.3	M183 P184 E185 E190 A191	M183-K187 HydrophobicContact CG-CB 3.77Å; M183-K187 HydrophobicContact SD-CB 4.08Å; P184-K187 HydrophobicContact CB-CB 4.47Å; P184-K187 HydrophobicContact CB-CG 4.31Å; P184-K187 HydrophobicContact CG-CG 4.32Å; P184-K187 WeakPolarHBondContact O-CB 3.3Å; P184-K187 PolarHBondContact O-N 3.42Å; E185-K187 PolarHBondContact O-N 3.17Å; K187-E190 WeakPolarHBondContact CD-OE2 3.46Å; K187-E190 IonicContact NZ-OE2 2.72Å; K187-E190 PolarHBondContact NZ-OE2 3.44Å; K187-A191 WeakPolarHBondContact O-CB 3.13Å; K187-A191 PolarHBondContact O-N 3.13Å
188	L	97.6	Very high	97.2	Very high	2 Å²	2	55 Å²	55	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-47	171	-67.1	168.6	0	0	0	110.7	V6 F157 L174 L177 K178 M183 P184 E185 A191 L192	V6-L188 HydrophobicContact CG2-CB 4.48Å; F157-L188 HydrophobicContact CE1-CD2 3.96Å; F157-L188 HydrophobicContact CZ-CD2 4.19Å; L174-L188 HydrophobicContact CD2-CD2 3.84Å; L174-L188 WeakPolarHBondContact O-CD1 3.36Å; L177-L188 HydrophobicContact CB-CD1 4.35Å; L177-L188 HydrophobicContact CB-CD2 3.91Å; L177-L188 HydrophobicContact CD1-CD2 3.82Å; K178-L188 HydrophobicContact CB-CD1 3.75Å; M183-L188 HydrophobicContact CB-CD2 4Å; M183-L188 HydrophobicContact CB-CG 4.08Å; M183-L188 HydrophobicContact CG-CD2 4.04Å; M183-L188 HydrophobicContact CG-CG 3.98Å; M183-L188 HydrophobicContact SD-CD2 3.48Å; M183-L188 WeakPolarHBondContact SD-CD2 3.43Å; M183-L188 HydrophobicContact SD-CG 3.89Å; P184-L188 PolarHBondContact O-N 3.18Å; E185-L188 WeakPolarHBondContact O-CB 3.46Å; E185-L188 PolarHBondContact O-N 3.2Å; L188-A191 PolarHBondContact O-N 3.47Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.42Å
189	A	96.5	Very high	97.1	Very high	28 Å²	28	55.6 Å²	55.6	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-43.5	177.3	0	0	0	0	0	112.3	V6 E185 L192 A193	V6-A189 HydrophobicContact CG2-CB 4.46Å; E185-A189 PolarHBondContact O-N 2.94Å; A189-L192 PolarHBondContact O-N 3.09Å; A189-A193 WeakPolarHBondContact O-CB 3.33Å; A189-A193 PolarHBondContact O-N 3.29Å
190	E	97	Very high	97	Very high	96 Å²	96	58.2 Å²	58.2	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-49.2	175.8	-176.1	-175.6	170.4	0	0	111.6	E186 K187 L192 A193 A194	E186-E190 VanDerWaalsContact O-CB 3.31Å; E186-E190 WeakPolarHBondContact O-CB 3.23Å; E186-E190 PolarHBondContact O-N 3.31Å; K187-E190 WeakPolarHBondContact CD-OE2 3.46Å; K187-E190 IonicContact NZ-OE2 2.72Å; K187-E190 PolarHBondContact NZ-OE2 3.44Å; E190-L192 PolarHBondContact O-N 3.44Å; E190-A193 PolarHBondContact O-N 3.33Å; E190-A194 PolarHBondContact O-N 3.48Å
191	A	98	Very high	96.8	Very high	4 Å²	4	61.2 Å²	61.2	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-38.5	-179.4	0	0	0	0	0	112.4	F157 P158 L161 K187 L188 A194 A195	F157-A191 HydrophobicContact CD1-CB 3.45Å; F157-A191 VanDerWaalsContact CD1-CB 3.45Å; F157-A191 HydrophobicContact CE1-CB 3.9Å; F157-A191 HydrophobicContact CG-CB 4.42Å; P158-A191 HydrophobicContact CG-CB 4.12Å; L161-A191 HydrophobicContact CD1-CB 4.08Å; K187-A191 WeakPolarHBondContact O-CB 3.13Å; K187-A191 PolarHBondContact O-N 3.13Å; L188-A191 PolarHBondContact O-N 3.47Å; A191-A194 PolarHBondContact O-N 3.22Å; A191-A195 WeakPolarHBondContact O-CB 3.38Å; A191-A195 PolarHBondContact O-N 2.97Å
192	L	97.3	Very high	96.6	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-44.7	176.7	-176.5	65.1	0	0	0	111.6	P7 L161 L174 L188 A189 E190 A194 A195 T196	P7-L192 HydrophobicContact CG-CD2 4.44Å; L161-L192 HydrophobicContact CD1-CB 4.49Å; L174-L192 HydrophobicContact CD1-CD1 4.41Å; L174-L192 HydrophobicContact CD1-CD2 4.29Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.42Å; A189-L192 PolarHBondContact O-N 3.09Å; E190-L192 PolarHBondContact O-N 3.44Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 3.19Å; L192-A195 WeakPolarHBondContact O-CB 3.11Å; L192-A195 PolarHBondContact O-N 3.46Å; L192-A195 VanDerWaalsContact O-N 3.14Å; L192-T196 PolarHBondContact O-N 3.44Å; L192-T196 PolarHBondContact O-OG1 3.06Å
193	A	97	Very high	96.4	Very high	36 Å²	36	61.6 Å²	61.6	30%	0.298	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-43.4	176.4	0	0	0	0	0	111.6	A4 A189 E190 A195 T196 E197	A4-A193 HydrophobicContact CB-CB 4.09Å; A189-A193 WeakPolarHBondContact O-CB 3.33Å; A189-A193 PolarHBondContact O-N 3.29Å; E190-A193 PolarHBondContact O-N 3.33Å; A193-A195 PolarHBondContact O-N 2.98Å; A193-T196 PolarHBondContact O-N 2.83Å; A193-E197 WeakPolarHBondContact O-CB 3.47Å; A193-E197 PolarHBondContact O-N 3.11Å
194	A	97.7	Very high	96.3	Very high	25 Å²	25	66 Å²	66	21%	0.207	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-39.3	174.9	0	0	0	0	0	112.6	P158 E190 A191 L192 K198	P158-A194 HydrophobicContact CB-CB 3.9Å; P158-A194 HydrophobicContact CG-CB 4.31Å; E190-A194 PolarHBondContact O-N 3.48Å; A191-A194 PolarHBondContact O-N 3.22Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 3.19Å; A194-K198 WeakPolarHBondContact O-CB 3.12Å; A194-K198 PolarHBondContact O-N 3.23Å
195	A	97.4	Very high	96.1	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-45.4	176	0	0	0	0	0	112.2	P158 L161 A191 L192 A193 K198 Q199	P158-A195 WeakPolarHBondContact O-CB 3.48Å; L161-A195 HydrophobicContact CB-CB 3.73Å; A191-A195 WeakPolarHBondContact O-CB 3.38Å; A191-A195 PolarHBondContact O-N 2.97Å; L192-A195 WeakPolarHBondContact O-CB 3.11Å; L192-A195 PolarHBondContact O-N 3.46Å; L192-A195 VanDerWaalsContact O-N 3.14Å; A193-A195 PolarHBondContact O-N 2.98Å; A195-K198 PolarHBondContact O-N 3.1Å; A195-Q199 WeakPolarHBondContact O-CG 3.33Å; A195-Q199 PolarHBondContact O-N 3.2Å
196	T	95.9	Very high	95.9	Very high	68 Å²	68	74.7 Å²	74.7	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-45.1	177.8	-59.9	0	0	0	0	111.5	L192 A193 K198 Q199 K200	L192-T196 PolarHBondContact O-N 3.44Å; L192-T196 PolarHBondContact O-OG1 3.06Å; A193-T196 PolarHBondContact O-N 2.83Å; T196-K198 VanDerWaalsContact C-N 3.3Å; T196-K198 PolarHBondContact O-N 2.82Å; T196-Q199 PolarHBondContact O-N 3Å; T196-K200 PolarHBondContact O-N 3.13Å
197	E	96.4	Very high	95.5	Very high	84 Å²	84	72.9 Å²	72.9	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-38.7	177.7	-174	62.6	-167.5	0	0	111.6	A193 K200 K201	A193-E197 WeakPolarHBondContact O-CB 3.47Å; A193-E197 PolarHBondContact O-N 3.11Å; E197-K200 PolarHBondContact O-N 3.09Å; E197-K201 HydrophobicContact CG-CD 4.41Å; E197-K201 WeakPolarHBondContact O-CG 3.15Å; E197-K201 PolarHBondContact O-N 2.9Å; E197-K201 WeakPolarHBondContact OE1-CE 3.44Å; E197-K201 IonicContact OE1-NZ 2.75Å
198	K	96.1	Very high	94.4	Very high	82 Å²	82	73.6 Å²	73.6	36%	0.357	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-45.7	173.5	173.4	177.5	173.9	-75.5	0	111.9	N159 S162 A194 A195 T196 K200 K201 A202	N159-K198 WeakPolarHBondContact OD1-CD 3.42Å; N159-K198 WeakPolarHBondContact OD1-CE 3.37Å; S162-K198 PolarHBondContact OG-NZ 3.14Å; A194-K198 WeakPolarHBondContact O-CB 3.12Å; A194-K198 PolarHBondContact O-N 3.23Å; A195-K198 PolarHBondContact O-N 3.1Å; T196-K198 VanDerWaalsContact C-N 3.3Å; T196-K198 PolarHBondContact O-N 2.82Å; K198-K200 VanDerWaalsContact C-N 3.35Å; K198-K201 PolarHBondContact O-N 2.74Å; K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 3.14Å
199	Q	95.6	Very high	93.2	Very high	82 Å²	82	78.1 Å²	78.1	38%	0.383	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-43.8	178.4	-72.6	175.5	-38.3	0	0	111.2	S162 A195 T196 A202 L203	S162-Q199 PolarHBondContact O-NE2 2.86Å; A195-Q199 WeakPolarHBondContact O-CG 3.33Å; A195-Q199 PolarHBondContact O-N 3.2Å; T196-Q199 PolarHBondContact O-N 3Å; Q199-A202 PolarHBondContact O-N 3.46Å; Q199-L203 PolarHBondContact O-N 3.45Å
200	K	95.4	Very high	91.6	Very high	117 Å²	117	82.7 Å²	82.7	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-58.8	-51.4	176.1	-173.9	-178.2	176.3	-167.8	0	111.8	T196 E197 K198 A202 L203 E204	T196-K200 PolarHBondContact O-N 3.13Å; E197-K200 PolarHBondContact O-N 3.09Å; K198-K200 VanDerWaalsContact C-N 3.35Å; K200-A202 VanDerWaalsContact C-N 3.27Å; K200-A202 PolarHBondContact O-N 3.46Å; K200-L203 PolarHBondContact O-N 3.1Å; K200-L203 VanDerWaalsContact O-N 3.13Å; K200-E204 WeakPolarHBondContact CE-OE1 3.33Å; K200-E204 IonicContact NZ-OE1 3.38Å; K200-E204 WeakPolarHBondContact O-CG 3.28Å; K200-E204 PolarHBondContact O-N 3.23Å
201	K	94.5	Very high	89.3	Confident	107 Å²	107	87 Å²	87	47%	0.465	49%	0.494	S	S	.	.	H	α-helix	trans	-61.7	-33.3	177.4	-73.3	178.9	-179.7	171.4	0	113.3	E197 K198 K205	E197-K201 HydrophobicContact CG-CD 4.41Å; E197-K201 WeakPolarHBondContact O-CG 3.15Å; E197-K201 PolarHBondContact O-N 2.9Å; E197-K201 WeakPolarHBondContact OE1-CE 3.44Å; E197-K201 IonicContact OE1-NZ 2.75Å; K198-K201 PolarHBondContact O-N 2.74Å; K201-K205 WeakPolarHBondContact O-CG 3.39Å; K201-K205 PolarHBondContact O-N 3.38Å
202	A	94.8	Very high	88.9	Confident	49 Å²	49	91.2 Å²	91.2	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-41.1	175.9	0	0	0	0	0	111.3	K198 Q199 K200 K205 L206	K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 3.14Å; Q199-A202 PolarHBondContact O-N 3.46Å; K200-A202 VanDerWaalsContact C-N 3.27Å; K200-A202 PolarHBondContact O-N 3.46Å; A202-K205 PolarHBondContact O-N 3.34Å; A202-L206 WeakPolarHBondContact O-CG 3.31Å
203	L	94.6	Very high	88.5	Confident	104 Å²	104	95.5 Å²	95.5	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-67.6	-44.2	176.6	-175.6	61.1	0	0	0	111.9	Q199 K200 K205 L206 L207	Q199-L203 PolarHBondContact O-N 3.45Å; K200-L203 PolarHBondContact O-N 3.1Å; K200-L203 VanDerWaalsContact O-N 3.13Å; L203-K205 PolarHBondContact O-N 3.01Å; L203-L206 PolarHBondContact O-N 3.3Å; L203-L207 HydrophobicContact CD1-CD1 4.41Å; L203-L207 HydrophobicContact CD1-CG 4.32Å; L203-L207 HydrophobicContact CG-CD1 3.95Å; L203-L207 HydrophobicContact CG-CG 4.32Å; L203-L207 WeakPolarHBondContact O-CG 3.46Å; L203-L207 PolarHBondContact O-N 2.87Å
204	E	94.6	Very high	88	Confident	104 Å²	104	98.8 Å²	98.8	49%	0.486	56%	0.556	S	S	.	*	H	α-helix	trans	-56.9	-34.1	176.8	-73.4	171	175.6	0	0	112.9	K200 L206	K200-E204 WeakPolarHBondContact CE-OE1 3.33Å; K200-E204 IonicContact NZ-OE1 3.38Å; K200-E204 WeakPolarHBondContact O-CG 3.28Å; K200-E204 PolarHBondContact O-N 3.23Å; E204-L206 VanDerWaalsContact C-N 3.33Å
205	K	93.6	Very high	87.4	Confident	184 Å²	184	103.2 Å²	103.2	80%	0.8	58%	0.576	S	S	*	*	H	α-helix	trans	-72.8	-23.4	176.6	-74.9	179.1	179.2	-172	0	114.2	K201 A202 L203	K201-K205 WeakPolarHBondContact O-CG 3.39Å; K201-K205 PolarHBondContact O-N 3.38Å; A202-K205 PolarHBondContact O-N 3.34Å; L203-K205 PolarHBondContact O-N 3.01Å
206	L	91.4	Very high	86.8	Confident	144 Å²	144	109.6 Å²	109.6	75%	0.754	61%	0.612	S	S	*	*	H	α-helix	trans	-93.1	-22.9	-179.5	-67.1	171.3	0	0	0	111.9	A202 L203 E204	A202-L206 WeakPolarHBondContact O-CG 3.31Å; L203-L206 PolarHBondContact O-N 3.3Å; E204-L206 VanDerWaalsContact C-N 3.33Å
207	L	86.6	Confident	86.2	Confident	101 Å²	101	112.4 Å²	112.4	53%	0.529	63%	0.625	S	S	.	*	S	Bend	trans	-77.6	134	174.8	-67.6	171.7	0	0	0	109.7	L203	L203-L207 HydrophobicContact CD1-CD1 4.41Å; L203-L207 HydrophobicContact CD1-CG 4.32Å; L203-L207 HydrophobicContact CG-CD1 3.95Å; L203-L207 HydrophobicContact CG-CG 4.32Å; L203-L207 WeakPolarHBondContact O-CG 3.46Å; L203-L207 PolarHBondContact O-N 2.87Å
208	P	74	Confident	85.5	Confident	120 Å²	120	114.4 Å²	114.4	78%	0.779	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-60.2	142.5	174.4	23.8	-30.7	0	0	0	109.9	S210	P208-S210 PolarHBondContact O-N 2.68Å; P208-S210 VanDerWaalsContact O-N 3.14Å
209	A	72.8	Confident	84.6	Confident	97 Å²	97	116.9 Å²	116.9	80%	0.802	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-57.5	122.6	172.4	0	0	0	0	0	108	S211	A209-S211 PolarHBondContact O-N 3.33Å
210	S	64	Low	83.7	Confident	125 Å²	125	119.8 Å²	119.8	87%	0.874	69%	0.687	S	S	*	*			trans	-58.1	108.3	174.9	42.4	0	0	0	0	108.6	P208	P208-S210 PolarHBondContact O-N 2.68Å; P208-S210 VanDerWaalsContact O-N 3.14Å
211	S	48.8	Very low	82.7	Confident	186 Å²	186	120.1 Å²	120.1	100%	1.301	70%	0.704	S	S	*	*			trans	-72.5	0	170.2	54.2	0	0	0	0	111.4	A209	A209-S211 PolarHBondContact O-N 3.33Å

Retrieved 211 of 211 residues in 151 ms (Link to these results)

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