A0A3Q0KBE1_SCHMA Loading...

Actin binding LIM protein family member 2-related

AlphaFold DB , UniProt , Accession A0A3Q0KBE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,004 aa.

						>A0A3Q0KBE1_SCHMA|A0A3Q0KBE1
MVKVYCTVCHKRCKGDVLKIEQQFVHYKCFQCIKCCKNLKQGGFFVKDQNFYCPNDYQTQFGVRCETCQGYVEGEVVTVLGKTFHTHCFRCTTCRRLFNSGERTTIVDGSYYCMSCSSNLTNGDVLHKTVGSNNRDGSAAAATVTNGSNGVCSTSSSPSSNSPSSKSDQFNPLSLSTSGHQSQTLPTIRTSPTPIHHPVNHIDDSNTQNHNHYQQNLISDANLKSFPSLNDQLSVQIHENGCSIPGSEYHKQKLEEHGMGPVTIDTLLSTTPGQTISPNSFTPSACERRICPPGVDYGRQYPISYLQLAEQGFTAIMSSEELNPNMSNENIGHRSRSLARSNNFSSSHYTPSHQHVSRRDVVRSATSNSMPFRRLNDTELQKQVNGCSPSKLPSYSGTSISVGVSNTPISLTGRPKRDMYVRQRQLSPGSSSLGSGLMGFRRSERMNSSTLPPGLENIRQSTGRYSCRSTPNVTGKRGMTQLAESLVRPRVDRTASPPSATLYWSEARRLASFPNARLPDSNSLPAIDRYDFPAPPSPAVVMIDKRREKRMTGVQSIGVDSRNGTLRNGTMTSVDTDWTDRDPVLNAKLDRIDAEIETLKRLGESSGITAALIQELEASKLHVHETDLDPISASRSPNANVEPGYKTRYRRHGYTSPSRDTRRDRRSGHNLSYRLEYSSTGGRSGTIPSFPSRYDHEYAVRQHGQYMRSTYSAPRPGYTSGILYGRAVSLPRPFIGVENGDTLLDQSTLSGHVPVASSGIRGSLSTTLRTIPSRHSYHPGGHSNHSGEAINGPDRTVTVSESLNTNFIENESRPIGFHDGLGSLTTSGLSMDGFMAESGDDITITSPHNGYFLKSRTVAGLPSSVTGLRPVGLPPHHPYHHHHYKSSSSAMRRGRTSTPAPATGGSGMGYLTDPDLLDIDAYPSVQSWLRPIASSSKYEKSFKIYPYEVLKSSSNQLLKGVDRTQLECYLSTDEFERLFNMCPEAFQRLPEWKRNDLKKKLDLL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.7	Low	82	Confident	124 Å²	124	90.1 Å²	90.1	61%	0.611	45%	0.452	S	S	*	.				0	80.1	0	-50.4	-161	-165.8	0	0	107.8	P261 V262 T263	M1-P261 HydrophobicContact CE-CB 4.48Å; M1-P261 HydrophobicContact CE-CG 4.2Å; M1-P261 WeakPolarHBondContact CE-O 3.49Å; M1-P261 HydrophobicContact CG-CB 3.92Å; M1-P261 HydrophobicContact SD-CB 4.02Å; M1-P261 HydrophobicContact SD-CG 4.01Å; M1-V262 VanDerWaalsContact N-C 3.29Å; M1-V262 PolarHBondContact N-O 3Å; M1-T263 HydrophobicContact CB-CG2 3.87Å; M1-T263 HydrophobicContact CG-CG2 4.14Å; M1-T263 VanDerWaalsContact N-CA 3.32Å
2	V	71.3	Confident	82.5	Confident	134 Å²	134	94.7 Å²	94.7	81%	0.812	46%	0.46	S	S	*	.			trans	-65.1	135	166.3	178.4	0	0	0	0	107.1	V4	V2-V4 PolarHBondContact O-N 3.34Å; V2-V4 VanDerWaalsContact O-N 3.14Å
3	K	78.9	Confident	82.7	Confident	143 Å²	143	89.1 Å²	89.1	62%	0.622	44%	0.436	S	S	*	.			trans	-75.5	102.8	177.1	-71.4	172	-177.1	165	0	108	Y5	K3-Y5 HydrophobicContact CB-CE2 3.74Å; K3-Y5 WeakPolarHBondContact O-CD2 3.43Å; K3-Y5 WeakPolarHBondContact O-CE2 3.42Å
4	V	85.9	Confident	82.5	Confident	42 Å²	42	95.9 Å²	95.9	26%	0.255	46%	0.462	S	S	.	.			trans	-81	134.3	178.9	-179.7	0	0	0	0	110.4	V2 R12 C13 V17 F24	V2-V4 PolarHBondContact O-N 3.34Å; V2-V4 VanDerWaalsContact O-N 3.14Å; V4-R12 WeakPolarHBondContact O-CA 3.37Å; V4-C13 HydrophobicContact CB-CB 4.27Å; V4-C13 HydrophobicContact CG1-CB 3.94Å; V4-C13 PolarHBondContact O-N 3.3Å; V4-V17 HydrophobicContact CG1-CG1 4.38Å; V4-F24 HydrophobicContact CG1-CB 3.39Å; V4-F24 HydrophobicContact CG1-CD1 3.67Å; V4-F24 HydrophobicContact CG1-CD2 3.76Å; V4-F24 HydrophobicContact CG1-CE1 4.33Å; V4-F24 HydrophobicContact CG1-CE2 4.42Å; V4-F24 HydrophobicContact CG1-CG 3.33Å
5	Y	89.2	Confident	82.2	Confident	100 Å²	100	94 Å²	94	39%	0.392	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-124.2	146.2	178	-62.4	-93.3	0	0	0	109.7	K3 H10 R12	K3-Y5 HydrophobicContact CB-CE2 3.74Å; K3-Y5 WeakPolarHBondContact O-CD2 3.43Å; K3-Y5 WeakPolarHBondContact O-CE2 3.42Å; Y5-H10 WeakPolarHBondContact CD1-O 3.24Å; Y5-R12 HydrophobicContact CD1-CB 4.47Å; Y5-R12 HydrophobicContact CD1-CG 3.61Å; Y5-R12 HydrophobicContact CE1-CG 3.26Å; Y5-R12 PolarHBondContact OH-NE 2.78Å; Y5-R12 VanDerWaalsContact OH-NE 3.09Å; Y5-R12 PolarHBondContact OH-NH2 2.88Å; Y5-R12 VanDerWaalsContact OH-NH2 3.12Å
6	C	89.6	Confident	82	Confident	1 Å²	1	95.3 Å²	95.3	1%	0.007	49%	0.486	C	S	.	.			trans	-77	130.9	178	179.3	0	0	0	0	110.8	V8 C9 H10 K11 F24 H26	C6-V8 VanDerWaalsContact C-N 3.32Å; C6-V8 PolarHBondContact O-N 3.34Å; C6-C9 VanDerWaalsContact SG-SG 3.68Å; C6-H10 WeakPolarHBondContact O-CA 3.41Å; C6-H10 PolarHBondContact O-N 3.19Å; C6-K11 PolarHBondContact N-O 3.12Å; C6-F24 CarbonylContact C-O 3.47Å; C6-F24 VanDerWaalsContact CA-O 3.27Å; C6-F24 WeakPolarHBondContact CA-O 3.5Å; C6-H26 WeakPolarHBondContact CB-CE1 3.44Å; C6-H26 WeakPolarHBondContact CB-ND1 3.39Å; C6-H26 PolarHBondContact SG-ND1 3.11Å; C6-H26 VanDerWaalsContact SG-ND1 3.37Å
7	T	85.7	Confident	82.2	Confident	43 Å²	43	92.9 Å²	92.9	26%	0.264	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-27.4	-179.9	53.2	0	0	0	0	113.5	H10 Q23 F24	T7-H10 PolarHBondContact O-CE1 2.94Å; T7-Q23 VanDerWaalsContact CB-OE1 3.28Å; T7-Q23 HydrophobicContact CG2-CB 3.84Å; T7-Q23 HydrophobicContact CG2-CG 3.93Å; T7-Q23 PolarHBondContact OG1-OE1 3.04Å; T7-F24 PolarHBondContact N-O 3.46Å
8	V	84.9	Confident	82.3	Confident	69 Å²	69	88.2 Å²	88.2	42%	0.418	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-32.3	-179	-179.2	0	0	0	0	113.6	C6 V25 C29 F51	C6-V8 VanDerWaalsContact C-N 3.32Å; C6-V8 PolarHBondContact O-N 3.34Å; V8-V25 HydrophobicContact CG2-CG1 3.94Å; V8-C29 HydrophobicContact CB-CB 3.91Å; V8-C29 HydrophobicContact CG1-CB 4.07Å; V8-C29 HydrophobicContact CG2-CB 4.28Å; V8-F51 HydrophobicContact CG2-CD2 3.97Å; V8-F51 HydrophobicContact CG2-CE2 3.57Å
9	C	88	Confident	82.5	Confident	39 Å²	39	90.4 Å²	90.4	26%	0.264	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	3.1	-172.5	77.9	0	0	0	0	114.9	C6 K11 H26	C6-C9 VanDerWaalsContact SG-SG 3.68Å; C9-K11 PolarHBondContact O-N 2.75Å; C9-H26 VanDerWaalsContact SG-CE1 3.51Å; C9-H26 PolarHBondContact SG-ND1 3.38Å; C9-H26 VanDerWaalsContact SG-ND1 3.35Å
10	H	85.6	Confident	82.5	Confident	143 Å²	143	86.4 Å²	86.4	66%	0.662	44%	0.438	S	S	*	.			trans	54.3	1.1	178	-48.9	-51.6	0	0	0	116.9	Y5 C6 T7	Y5-H10 WeakPolarHBondContact CD1-O 3.24Å; C6-H10 WeakPolarHBondContact O-CA 3.41Å; C6-H10 PolarHBondContact O-N 3.19Å; T7-H10 PolarHBondContact O-CE1 2.94Å
11	K	88.3	Confident	82.2	Confident	153 Å²	153	86.5 Å²	86.5	67%	0.665	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-74.7	147.4	174.4	-67.9	163.3	-172	176.8	0	110.1	C6 C9 H26	C6-K11 PolarHBondContact N-O 3.12Å; C9-K11 PolarHBondContact O-N 2.75Å; K11-H26 PolarHBondContact O-CE1 3.15Å
12	R	87.7	Confident	83.2	Confident	145 Å²	145	87.8 Å²	87.8	55%	0.547	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-57.6	139.4	175.7	-73	-179.2	-176.9	142.9	10	111	V4 Y5 H26	V4-R12 WeakPolarHBondContact O-CA 3.37Å; Y5-R12 HydrophobicContact CD1-CB 4.47Å; Y5-R12 HydrophobicContact CD1-CG 3.61Å; Y5-R12 HydrophobicContact CE1-CG 3.26Å; Y5-R12 PolarHBondContact OH-NE 2.78Å; Y5-R12 VanDerWaalsContact OH-NE 3.09Å; Y5-R12 PolarHBondContact OH-NH2 2.88Å; Y5-R12 VanDerWaalsContact OH-NH2 3.12Å; R12-H26 PolarHBondContact O-NE2 3.41Å; R12-H26 VanDerWaalsContact O-NE2 3.15Å
13	C	85.1	Confident	83.7	Confident	22 Å²	22	83.7 Å²	83.7	15%	0.149	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-78.2	132.6	173.6	-61.9	0	0	0	0	110.3	V4 V17	V4-C13 HydrophobicContact CB-CB 4.27Å; V4-C13 HydrophobicContact CG1-CB 3.94Å; V4-C13 PolarHBondContact O-N 3.3Å; C13-V17 HydrophobicContact CB-CB 4.4Å; C13-V17 HydrophobicContact CB-CG1 3.85Å; C13-V17 HydrophobicContact CB-CG2 3.59Å
14	K	80.2	Confident	84.2	Confident	185 Å²	185	80.1 Å²	80.1	80%	0.804	40%	0.398	S	S	*	.			trans	-137.4	136.3	176	-66.6	-174.1	178.9	-175.4	0	107.3
15	G	78.7	Confident	84.3	Confident	67 Å²	67	78.1 Å²	78.1	69%	0.691	39%	0.386	S	S	*	.	S	Bend	trans	70.3	-150.7	-169.4	0	0	0	0	0	111.5	V17	G15-V17 VanDerWaalsContact O-CG2 3.27Å; G15-V17 WeakPolarHBondContact O-CG2 3.36Å
16	D	78	Confident	84.3	Confident	115 Å²	115	75.1 Å²	75.1	62%	0.615	38%	0.376	S	S	*	.			trans	-71	133.5	-171.2	-47.4	-58.1	0	0	0	112.9
17	V	85.3	Confident	84	Confident	54 Å²	54	80.3 Å²	80.3	33%	0.327	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130	-173.9	-159	0	0	0	0	109.1	V4 C13 G15 K19 F24 V25	V4-V17 HydrophobicContact CG1-CG1 4.38Å; C13-V17 HydrophobicContact CB-CB 4.4Å; C13-V17 HydrophobicContact CB-CG1 3.85Å; C13-V17 HydrophobicContact CB-CG2 3.59Å; G15-V17 VanDerWaalsContact O-CG2 3.27Å; G15-V17 WeakPolarHBondContact O-CG2 3.36Å; V17-K19 PolarHBondContact O-N 3.45Å; V17-F24 HydrophobicContact CG1-CB 3.91Å; V17-F24 HydrophobicContact CG1-CD1 4.07Å; V17-F24 HydrophobicContact CG1-CG 4.48Å; V17-V25 WeakPolarHBondContact CG1-O 3.4Å
18	L	85.2	Confident	84	Confident	8 Å²	8	86.9 Å²	86.9	4%	0.042	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.4	172.2	-61	170.9	0	0	0	107.5	F24 V25 Y27 F30 K40 L254	L18-F24 CarbonylContact O-C 3.6Å; L18-F24 WeakPolarHBondContact O-CA 3.29Å; L18-V25 PolarHBondContact N-O 2.92Å; L18-V25 PolarHBondContact O-N 3.39Å; L18-Y27 HydrophobicContact CD1-CD2 4.43Å; L18-Y27 HydrophobicContact CD2-CD2 3.76Å; L18-Y27 HydrophobicContact CG-CD2 4.19Å; L18-F30 HydrophobicContact CD1-CB 3.4Å; L18-F30 HydrophobicContact CD1-CD1 3.48Å; L18-F30 VanDerWaalsContact CD1-CD1 3.48Å; L18-F30 HydrophobicContact CD1-CE1 4.42Å; L18-F30 HydrophobicContact CD1-CG 3.67Å; L18-K40 HydrophobicContact CD1-CG 4.44Å; L18-L254 HydrophobicContact CD2-CD1 3.86Å; L18-L254 HydrophobicContact CD2-CD2 3.52Å; L18-L254 HydrophobicContact CD2-CG 4.37Å
19	K	86	Confident	84.1	Confident	130 Å²	130	84.8 Å²	84.8	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.2	170.4	-177.7	-176	171.4	-173.7	0	108.2	V17 E21 Q23 F24	V17-K19 PolarHBondContact O-N 3.45Å; K19-E21 WeakPolarHBondContact CE-O 3.09Å; K19-Q23 WeakPolarHBondContact CA-O 3.3Å; K19-F24 HydrophobicContact CB-CD1 4.11Å; K19-F24 HydrophobicContact CB-CE1 4.02Å; K19-F24 HydrophobicContact CD-CE1 4.09Å; K19-F24 HydrophobicContact CD-CZ 4.3Å; K19-F24 HydrophobicContact CG-CD1 4.25Å; K19-F24 HydrophobicContact CG-CE1 3.89Å; K19-F24 HydrophobicContact CG-CZ 4.31Å
20	I	81.2	Confident	84.1	Confident	10 Å²	10	83.3 Å²	83.3	5%	0.051	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	106.8	177.6	-61.8	172.4	0	0	0	105.6	Q22 Q23 V25 F30 F44 F51	I20-Q22 PolarHBondContact O-N 3.45Å; I20-Q23 PolarHBondContact N-O 3.12Å; I20-Q23 WeakPolarHBondContact O-CA 3.06Å; I20-Q23 PolarHBondContact O-N 2.84Å; I20-V25 HydrophobicContact CD1-CG2 4.28Å; I20-F30 HydrophobicContact CD1-CD2 3.62Å; I20-F30 HydrophobicContact CD1-CE2 3.33Å; I20-F30 HydrophobicContact CD1-CG 4.44Å; I20-F30 HydrophobicContact CD1-CZ 3.93Å; I20-F44 HydrophobicContact CD1-CE2 4.2Å; I20-F44 HydrophobicContact CD1-CZ 4.28Å; I20-F44 HydrophobicContact CG1-CZ 4.33Å; I20-F44 HydrophobicContact CG2-CE2 3.76Å; I20-F44 HydrophobicContact CG2-CZ 3.91Å; I20-F51 HydrophobicContact CD1-CD1 4.46Å; I20-F51 HydrophobicContact CD1-CE1 3.7Å; I20-F51 HydrophobicContact CD1-CZ 4.19Å
21	E	77.1	Confident	84.2	Confident	89 Å²	89	80.2 Å²	80.2	42%	0.416	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-100.9	-171.9	-61.4	150.6	-139.3	0	0	113.2	K19 H250	K19-E21 WeakPolarHBondContact CE-O 3.09Å; E21-H250 WeakPolarHBondContact CG-NE2 3.22Å; E21-H250 IonicContact OE1-CD2 3.36Å; E21-H250 IonicContact OE1-NE2 2.64Å
22	Q	75.4	Confident	84.4	Confident	151 Å²	151	72.9 Å²	72.9	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-9.8	176.6	-54.7	-172.5	23.6	0	0	112.5	I20 N568	I20-Q22 PolarHBondContact O-N 3.45Å; Q22-N568 PolarHBondContact OE1-ND2 3.45Å
23	Q	82.6	Confident	84.4	Confident	49 Å²	49	70 Å²	70	23%	0.229	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	156.2	177.4	-59.6	-158.9	14	0	0	112	T7 K19 I20	T7-Q23 VanDerWaalsContact CB-OE1 3.28Å; T7-Q23 HydrophobicContact CG2-CB 3.84Å; T7-Q23 HydrophobicContact CG2-CG 3.93Å; T7-Q23 PolarHBondContact OG1-OE1 3.04Å; K19-Q23 WeakPolarHBondContact CA-O 3.3Å; I20-Q23 PolarHBondContact N-O 3.12Å; I20-Q23 WeakPolarHBondContact O-CA 3.06Å; I20-Q23 PolarHBondContact O-N 2.84Å
24	F	87.6	Confident	84.5	Confident	68 Å²	68	74.3 Å²	74.3	30%	0.298	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	175.4	-66.2	-88.5	0	0	0	109.3	V4 C6 T7 V17 L18 K19	V4-F24 HydrophobicContact CG1-CB 3.39Å; V4-F24 HydrophobicContact CG1-CD1 3.67Å; V4-F24 HydrophobicContact CG1-CD2 3.76Å; V4-F24 HydrophobicContact CG1-CE1 4.33Å; V4-F24 HydrophobicContact CG1-CE2 4.42Å; V4-F24 HydrophobicContact CG1-CG 3.33Å; C6-F24 CarbonylContact C-O 3.47Å; C6-F24 VanDerWaalsContact CA-O 3.27Å; C6-F24 WeakPolarHBondContact CA-O 3.5Å; T7-F24 PolarHBondContact N-O 3.46Å; V17-F24 HydrophobicContact CG1-CB 3.91Å; V17-F24 HydrophobicContact CG1-CD1 4.07Å; V17-F24 HydrophobicContact CG1-CG 4.48Å; L18-F24 CarbonylContact O-C 3.6Å; L18-F24 WeakPolarHBondContact O-CA 3.29Å; K19-F24 HydrophobicContact CB-CD1 4.11Å; K19-F24 HydrophobicContact CB-CE1 4.02Å; K19-F24 HydrophobicContact CD-CE1 4.09Å; K19-F24 HydrophobicContact CD-CZ 4.3Å; K19-F24 HydrophobicContact CG-CD1 4.25Å; K19-F24 HydrophobicContact CG-CE1 3.89Å; K19-F24 HydrophobicContact CG-CZ 4.31Å
25	V	88.9	Confident	85	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.9	-175	-169.7	0	0	0	0	109.6	V8 V17 L18 I20 C29 F30 F51	V8-V25 HydrophobicContact CG2-CG1 3.94Å; V17-V25 WeakPolarHBondContact CG1-O 3.4Å; L18-V25 PolarHBondContact N-O 2.92Å; L18-V25 PolarHBondContact O-N 3.39Å; I20-V25 HydrophobicContact CD1-CG2 4.28Å; V25-C29 HydrophobicContact CG1-CB 3.66Å; V25-F30 HydrophobicContact CG1-CB 4.02Å; V25-F51 HydrophobicContact CG2-CE2 4.08Å; V25-F51 HydrophobicContact CG2-CZ 3.8Å
26	H	88.7	Confident	85.3	Confident	37 Å²	37	67.7 Å²	67.7	17%	0.171	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	147.6	172.1	-61.4	108.3	0	0	0	110.9	C6 C9 K11 R12 K28 C29 F30	C6-H26 WeakPolarHBondContact CB-CE1 3.44Å; C6-H26 WeakPolarHBondContact CB-ND1 3.39Å; C6-H26 PolarHBondContact SG-ND1 3.11Å; C6-H26 VanDerWaalsContact SG-ND1 3.37Å; C9-H26 VanDerWaalsContact SG-CE1 3.51Å; C9-H26 PolarHBondContact SG-ND1 3.38Å; C9-H26 VanDerWaalsContact SG-ND1 3.35Å; K11-H26 PolarHBondContact O-CE1 3.15Å; R12-H26 PolarHBondContact O-NE2 3.41Å; R12-H26 VanDerWaalsContact O-NE2 3.15Å; H26-K28 PolarHBondContact O-N 3.4Å; H26-C29 HydrophobicContact CB-CB 4.28Å; H26-C29 PolarHBondContact O-N 2.94Å; H26-F30 PolarHBondContact O-N 2.82Å
27	Y	84.6	Confident	85.6	Confident	109 Å²	109	68.3 Å²	68.3	43%	0.427	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-0.3	173	-160.7	-81.5	0	0	0	114	L18 K40	L18-Y27 HydrophobicContact CD1-CD2 4.43Å; L18-Y27 HydrophobicContact CD2-CD2 3.76Å; L18-Y27 HydrophobicContact CG-CD2 4.19Å; Y27-K40 HydrophobicContact CD1-CD 3.69Å; Y27-K40 HydrophobicContact CD2-CD 3.52Å; Y27-K40 HydrophobicContact CD2-CG 4.4Å; Y27-K40 HydrophobicContact CE1-CD 3.05Å; Y27-K40 HydrophobicContact CE1-CG 4.43Å; Y27-K40 HydrophobicContact CE2-CD 2.85Å; Y27-K40 HydrophobicContact CE2-CG 4.08Å; Y27-K40 HydrophobicContact CG-CD 3.88Å; Y27-K40 WeakPolarHBondContact OH-CD 3.41Å; Y27-K40 WeakPolarHBondContact OH-CE 3.33Å; Y27-K40 PolarHBondContact OH-NZ 2.83Å
28	K	85.4	Confident	85.6	Confident	181 Å²	181	71 Å²	71	79%	0.787	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-12.1	169.6	-66.2	-171	177.9	-172.8	0	115.1	H26	H26-K28 PolarHBondContact O-N 3.4Å
29	C	86.4	Confident	85.6	Confident	26 Å²	26	71 Å²	71	18%	0.176	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-12.4	178.9	-67	0	0	0	0	112.4	V8 V25 H26 Q31	V8-C29 HydrophobicContact CB-CB 3.91Å; V8-C29 HydrophobicContact CG1-CB 4.07Å; V8-C29 HydrophobicContact CG2-CB 4.28Å; V25-C29 HydrophobicContact CG1-CB 3.66Å; H26-C29 HydrophobicContact CB-CB 4.28Å; H26-C29 PolarHBondContact O-N 2.94Å; C29-Q31 VanDerWaalsContact C-N 3.26Å; C29-Q31 PolarHBondContact O-N 2.83Å
30	F	87.4	Confident	84.9	Confident	8 Å²	8	66.9 Å²	66.9	4%	0.035	32%	0.32	C	S	.	.			trans	-84.2	68.3	178.2	-173.4	-124.8	0	0	0	111.8	L18 I20 V25 H26 L39 K40 F44 F51	L18-F30 HydrophobicContact CD1-CB 3.4Å; L18-F30 HydrophobicContact CD1-CD1 3.48Å; L18-F30 VanDerWaalsContact CD1-CD1 3.48Å; L18-F30 HydrophobicContact CD1-CE1 4.42Å; L18-F30 HydrophobicContact CD1-CG 3.67Å; I20-F30 HydrophobicContact CD1-CD2 3.62Å; I20-F30 HydrophobicContact CD1-CE2 3.33Å; I20-F30 HydrophobicContact CD1-CG 4.44Å; I20-F30 HydrophobicContact CD1-CZ 3.93Å; V25-F30 HydrophobicContact CG1-CB 4.02Å; H26-F30 PolarHBondContact O-N 2.82Å; F30-L39 HydrophobicContact CD1-CB 3.78Å; F30-L39 HydrophobicContact CD2-CB 4.25Å; F30-L39 HydrophobicContact CD2-CD1 4.35Å; F30-L39 HydrophobicContact CE1-CB 3.41Å; F30-L39 VanDerWaalsContact CE1-CB 3.41Å; F30-L39 HydrophobicContact CE2-CB 3.88Å; F30-L39 HydrophobicContact CE2-CD1 4.06Å; F30-L39 HydrophobicContact CG-CB 4.21Å; F30-L39 HydrophobicContact CZ-CB 3.46Å; F30-L39 VanDerWaalsContact CZ-CB 3.46Å; F30-L39 HydrophobicContact CZ-CD1 4.42Å; F30-L39 PolarHBondContact O-N 3.12Å; F30-K40 HydrophobicContact CD1-CG 4.38Å; F30-F44 HydrophobicContact CE2-CB 4.5Å; F30-F44 HydrophobicContact CE2-CD1 4.34Å; F30-F44 AromaticContact CE2-CD2 3.97Å; F30-F44 HydrophobicContact CE2-CD2 3.97Å; F30-F44 HydrophobicContact CE2-CE2 4.26Å; F30-F44 HydrophobicContact CE2-CG 4.01Å; F30-F44 HydrophobicContact CZ-CB 4.21Å; F30-F44 AromaticContact CZ-CD1 3.59Å; F30-F44 HydrophobicContact CZ-CD1 3.59Å; F30-F44 HydrophobicContact CZ-CD2 4.04Å; F30-F44 AromaticContact CZ-CE1 3.87Å; F30-F44 HydrophobicContact CZ-CE1 3.87Å; F30-F44 HydrophobicContact CZ-CE2 4.3Å; F30-F44 AromaticContact CZ-CG 3.67Å; F30-F44 HydrophobicContact CZ-CG 3.67Å; F30-F44 HydrophobicContact CZ-CZ 4.22Å; F30-F51 HydrophobicContact CD2-CD1 4.02Å; F30-F51 HydrophobicContact CD2-CE1 4.31Å; F30-F51 HydrophobicContact CD2-CG 4.25Å; F30-F51 AromaticContact CE2-CD1 3.77Å; F30-F51 HydrophobicContact CE2-CD1 3.77Å; F30-F51 HydrophobicContact CE2-CE1 4.15Å; F30-F51 HydrophobicContact CE2-CG 4.36Å
31	Q	89.4	Confident	84.4	Confident	77 Å²	77	75.5 Å²	75.5	36%	0.36	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-123.7	152.7	177.2	64.8	-177.2	41.9	0	0	109.8	C29 I33 K37	C29-Q31 VanDerWaalsContact C-N 3.26Å; C29-Q31 PolarHBondContact O-N 2.83Å; Q31-I33 PolarHBondContact O-N 3.2Å; Q31-K37 CarbonylContact C-O 3.54Å; Q31-K37 WeakPolarHBondContact CA-O 3.36Å
32	C	91.5	Very high	84.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.362	C	S	.	.			trans	-66.2	133.9	171.6	-179	0	0	0	0	110.8	K34 C36 K37 L39 F51 C53 D56	C32-K34 PolarHBondContact O-N 3.43Å; C32-K34 PolarHBondContact SG-N 3.06Å; C32-K34 VanDerWaalsContact SG-N 3.39Å; C32-C36 WeakPolarHBondContact O-CA 3.29Å; C32-C36 PolarHBondContact O-N 3.01Å; C32-K37 PolarHBondContact N-O 2.83Å; C32-L39 HydrophobicContact CB-CD1 4.43Å; C32-L39 HydrophobicContact CB-CD2 4.29Å; C32-L39 HydrophobicContact CB-CG 4.47Å; C32-F51 WeakPolarHBondContact CA-O 3.46Å; C32-C53 HydrophobicContact CB-CB 4.08Å; C32-C53 PolarHBondContact SG-N 3.26Å; C32-D56 PolarHBondContact SG-OD2 2.95Å
33	I	87.8	Confident	84.4	Confident	85 Å²	85	67.4 Å²	67.4	44%	0.436	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.4	178.9	-60.9	-166.1	0	0	0	112.8	Q31 N50 F51	Q31-I33 PolarHBondContact O-N 3.2Å; I33-N50 HydrophobicContact CD1-CB 3.62Å; I33-N50 WeakPolarHBondContact CD1-OD1 3.38Å; I33-F51 PolarHBondContact N-O 3.44Å; I33-F51 VanDerWaalsContact N-O 3.07Å
34	K	88.1	Confident	84.6	Confident	112 Å²	112	65.9 Å²	65.9	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-57.6	-177.2	-64.7	-75.3	150.4	151.7	0	112.7	C32 Y52 D56	C32-K34 PolarHBondContact O-N 3.43Å; C32-K34 PolarHBondContact SG-N 3.06Å; C32-K34 VanDerWaalsContact SG-N 3.39Å; K34-Y52 HydrophobicContact CG-CD1 4.28Å; K34-Y52 HydrophobicContact CG-CE1 4.15Å; K34-D56 HydrophobicContact CB-CB 3.91Å; K34-D56 HydrophobicContact CG-CB 4.32Å
35	C	89.5	Confident	84.6	Confident	37 Å²	37	63.3 Å²	63.3	25%	0.25	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	1.6	-178.7	71.1	0	0	0	0	115.7	K37 D56	C35-K37 HydrophobicContact CB-CD 4.3Å; C35-K37 HydrophobicContact CB-CG 4.27Å; C35-K37 PolarHBondContact O-N 3.08Å; C35-K37 WeakPolarHBondContact SG-CD 3.21Å; C35-K37 WeakPolarHBondContact SG-CG 3.26Å; C35-D56 WeakPolarHBondContact CB-OD2 3.47Å; C35-D56 PolarHBondContact N-OD2 3.42Å; C35-D56 PolarHBondContact SG-OD2 3.31Å
36	C	85.6	Confident	84.5	Confident	76 Å²	76	65.9 Å²	65.9	51%	0.514	34%	0.338	S	S	.	.			trans	55.1	11.1	-177	-65	0	0	0	0	116.2	C32	C32-C36 WeakPolarHBondContact O-CA 3.29Å; C32-C36 PolarHBondContact O-N 3.01Å
37	K	84.2	Confident	84.2	Confident	127 Å²	127	67.5 Å²	67.5	55%	0.552	34%	0.344	S	S	*	.			trans	-70.5	137.4	177.8	-65	172.6	-165.5	163	0	110.7	Q31 C32 C35 L39	Q31-K37 CarbonylContact C-O 3.54Å; Q31-K37 WeakPolarHBondContact CA-O 3.36Å; C32-K37 PolarHBondContact N-O 2.83Å; C35-K37 HydrophobicContact CB-CD 4.3Å; C35-K37 HydrophobicContact CB-CG 4.27Å; C35-K37 PolarHBondContact O-N 3.08Å; C35-K37 WeakPolarHBondContact SG-CD 3.21Å; C35-K37 WeakPolarHBondContact SG-CG 3.26Å; K37-L39 PolarHBondContact O-N 3.07Å
38	N	84.2	Confident	84.2	Confident	111 Å²	111	67.9 Å²	67.9	59%	0.594	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-63	123.2	173.4	-66.8	-74.9	0	0	0	110.3	K40	N38-K40 VanDerWaalsContact C-N 3.3Å; N38-K40 PolarHBondContact O-N 3.46Å
39	L	85.5	Confident	83.9	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.037	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-83.8	-4.5	-173.8	-68.7	168	0	0	0	113.6	F30 C32 K37 Q41 G42 F44 F51 C53	F30-L39 HydrophobicContact CD1-CB 3.78Å; F30-L39 HydrophobicContact CD2-CB 4.25Å; F30-L39 HydrophobicContact CD2-CD1 4.35Å; F30-L39 HydrophobicContact CE1-CB 3.41Å; F30-L39 VanDerWaalsContact CE1-CB 3.41Å; F30-L39 HydrophobicContact CE2-CB 3.88Å; F30-L39 HydrophobicContact CE2-CD1 4.06Å; F30-L39 HydrophobicContact CG-CB 4.21Å; F30-L39 HydrophobicContact CZ-CB 3.46Å; F30-L39 VanDerWaalsContact CZ-CB 3.46Å; F30-L39 HydrophobicContact CZ-CD1 4.42Å; F30-L39 PolarHBondContact O-N 3.12Å; C32-L39 HydrophobicContact CB-CD1 4.43Å; C32-L39 HydrophobicContact CB-CD2 4.29Å; C32-L39 HydrophobicContact CB-CG 4.47Å; K37-L39 PolarHBondContact O-N 3.07Å; L39-Q41 PolarHBondContact O-N 3.24Å; L39-G42 PolarHBondContact O-N 3.37Å; L39-G42 VanDerWaalsContact O-N 3.15Å; L39-F44 HydrophobicContact CB-CB 4.25Å; L39-F44 HydrophobicContact CD1-CB 4.05Å; L39-F44 HydrophobicContact CD2-CB 4.16Å; L39-F44 HydrophobicContact CG-CB 4.38Å; L39-F51 HydrophobicContact CD1-CB 3.68Å; L39-C53 HydrophobicContact CD2-CB 3.66Å
40	K	72.8	Confident	83.9	Confident	44 Å²	44	67.5 Å²	67.5	19%	0.191	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-48.1	-23.4	-177	-79	-157.5	-178.8	-165.1	0	116.7	L18 Y27 F30 N38 L254	L18-K40 HydrophobicContact CD1-CG 4.44Å; Y27-K40 HydrophobicContact CD1-CD 3.69Å; Y27-K40 HydrophobicContact CD2-CD 3.52Å; Y27-K40 HydrophobicContact CD2-CG 4.4Å; Y27-K40 HydrophobicContact CE1-CD 3.05Å; Y27-K40 HydrophobicContact CE1-CG 4.43Å; Y27-K40 HydrophobicContact CE2-CD 2.85Å; Y27-K40 HydrophobicContact CE2-CG 4.08Å; Y27-K40 HydrophobicContact CG-CD 3.88Å; Y27-K40 WeakPolarHBondContact OH-CD 3.41Å; Y27-K40 WeakPolarHBondContact OH-CE 3.33Å; Y27-K40 PolarHBondContact OH-NZ 2.83Å; F30-K40 HydrophobicContact CD1-CG 4.38Å; N38-K40 VanDerWaalsContact C-N 3.3Å; N38-K40 PolarHBondContact O-N 3.46Å; K40-L254 HydrophobicContact CB-CD1 4.47Å
41	Q	69.4	Low	83.9	Confident	192 Å²	192	67.3 Å²	67.3	90%	0.897	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-121	-2.6	-173.5	-67.9	177.1	-13.2	0	0	113.8	L39	L39-Q41 PolarHBondContact O-N 3.24Å
42	G	70.6	Confident	84	Confident	45 Å²	45	64.3 Å²	64.3	46%	0.464	34%	0.339	S	S	.	.	S	Bend	trans	-110.2	170.1	-178.8	0	0	0	0	0	112.5	L39	L39-G42 PolarHBondContact O-N 3.37Å; L39-G42 VanDerWaalsContact O-N 3.15Å
43	G	82.1	Confident	83.9	Confident	24 Å²	24	64.8 Å²	64.8	25%	0.247	34%	0.342	C	S	.	.			trans	-64.8	148.2	152.7	0	0	0	0	0	109.2	P54	G43-P54 VanDerWaalsContact O-CD 3.27Å; G43-P54 WeakPolarHBondContact O-CD 3.23Å; G43-P54 WeakPolarHBondContact O-CG 3.46Å
44	F	87.7	Confident	84	Confident	17 Å²	17	62.7 Å²	62.7	8%	0.075	33%	0.334	C	S	.	.			trans	-135.2	154.1	176.3	63	-82.9	0	0	0	108.9	I20 F30 L39 V46 F51 Y52	I20-F44 HydrophobicContact CD1-CE2 4.2Å; I20-F44 HydrophobicContact CD1-CZ 4.28Å; I20-F44 HydrophobicContact CG1-CZ 4.33Å; I20-F44 HydrophobicContact CG2-CE2 3.76Å; I20-F44 HydrophobicContact CG2-CZ 3.91Å; F30-F44 HydrophobicContact CE2-CB 4.5Å; F30-F44 HydrophobicContact CE2-CD1 4.34Å; F30-F44 AromaticContact CE2-CD2 3.97Å; F30-F44 HydrophobicContact CE2-CD2 3.97Å; F30-F44 HydrophobicContact CE2-CE2 4.26Å; F30-F44 HydrophobicContact CE2-CG 4.01Å; F30-F44 HydrophobicContact CZ-CB 4.21Å; F30-F44 AromaticContact CZ-CD1 3.59Å; F30-F44 HydrophobicContact CZ-CD1 3.59Å; F30-F44 HydrophobicContact CZ-CD2 4.04Å; F30-F44 AromaticContact CZ-CE1 3.87Å; F30-F44 HydrophobicContact CZ-CE1 3.87Å; F30-F44 HydrophobicContact CZ-CE2 4.3Å; F30-F44 AromaticContact CZ-CG 3.67Å; F30-F44 HydrophobicContact CZ-CG 3.67Å; F30-F44 HydrophobicContact CZ-CZ 4.22Å; L39-F44 HydrophobicContact CB-CB 4.25Å; L39-F44 HydrophobicContact CD1-CB 4.05Å; L39-F44 HydrophobicContact CD2-CB 4.16Å; L39-F44 HydrophobicContact CG-CB 4.38Å; F44-V46 HydrophobicContact CD2-CG2 3.98Å; F44-V46 HydrophobicContact CE2-CG2 3.86Å; F44-F51 HydrophobicContact CD2-CD1 4.31Å; F44-Y52 WeakPolarHBondContact CA-O 3.43Å
45	F	86.5	Confident	84	Confident	14 Å²	14	62.5 Å²	62.5	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136	174	-65.1	-79.9	0	0	0	109.2	Y52 P54 Y57 Y249	F45-Y52 PolarHBondContact N-O 3.18Å; F45-Y52 PolarHBondContact O-N 2.99Å; F45-P54 HydrophobicContact CE2-CB 4.04Å; F45-P54 HydrophobicContact CE2-CG 4.33Å; F45-Y57 HydrophobicContact CB-CD1 4.35Å; F45-Y57 HydrophobicContact CB-CD2 3.29Å; F45-Y57 HydrophobicContact CB-CE2 3.71Å; F45-Y57 HydrophobicContact CB-CG 3.65Å; F45-Y57 HydrophobicContact CD1-CD1 4.41Å; F45-Y57 HydrophobicContact CD1-CE1 4.46Å; F45-Y57 AromaticContact CD2-CD1 3.95Å; F45-Y57 HydrophobicContact CD2-CD1 3.95Å; F45-Y57 HydrophobicContact CD2-CD2 4.26Å; F45-Y57 AromaticContact CD2-CG 3.68Å; F45-Y57 HydrophobicContact CD2-CG 3.68Å; F45-Y57 HydrophobicContact CE2-CD1 4.34Å; F45-Y57 HydrophobicContact CE2-CG 4.47Å; F45-Y57 AromaticContact CG-CD1 3.98Å; F45-Y57 HydrophobicContact CG-CD1 3.98Å; F45-Y57 AromaticContact CG-CD2 3.84Å; F45-Y57 HydrophobicContact CG-CD2 3.84Å; F45-Y57 HydrophobicContact CG-CE1 4.4Å; F45-Y57 HydrophobicContact CG-CE2 4.23Å; F45-Y57 AromaticContact CG-CG 3.7Å; F45-Y57 HydrophobicContact CG-CG 3.7Å; F45-Y249 HydrophobicContact CE1-CD2 4.07Å; F45-Y249 HydrophobicContact CE1-CE2 4.25Å; F45-Y249 HydrophobicContact CE1-CG 4.39Å; F45-Y249 AromaticContact CZ-CD2 3.93Å; F45-Y249 HydrophobicContact CZ-CD2 3.93Å; F45-Y249 HydrophobicContact CZ-CE1 4.26Å; F45-Y249 AromaticContact CZ-CE2 3.66Å; F45-Y249 HydrophobicContact CZ-CE2 3.66Å; F45-Y249 HydrophobicContact CZ-CG 4.35Å; F45-Y249 AromaticContact CZ-CZ 3.82Å
46	V	87.7	Confident	84.1	Confident	55 Å²	55	62.3 Å²	62.3	33%	0.333	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.5	172.5	-173.2	0	0	0	0	107.5	F44 N50 F51	F44-V46 HydrophobicContact CD2-CG2 3.98Å; F44-V46 HydrophobicContact CE2-CG2 3.86Å; V46-N50 WeakPolarHBondContact CA-O 3.32Å; V46-F51 HydrophobicContact CG2-CD1 3.9Å; V46-F51 HydrophobicContact CG2-CE1 3.76Å
47	K	83.1	Confident	84.3	Confident	71 Å²	71	59.9 Å²	59.9	31%	0.309	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132.9	171.9	179.3	171.5	175.2	-178.6	0	108.8	Q49 N50 Y52 Y57 F61	K47-Q49 PolarHBondContact O-N 3.4Å; K47-N50 PolarHBondContact N-O 3.12Å; K47-N50 WeakPolarHBondContact O-CA 3.47Å; K47-N50 VanDerWaalsContact O-CB 3.31Å; K47-N50 WeakPolarHBondContact O-CB 3.35Å; K47-N50 PolarHBondContact O-N 3.11Å; K47-Y52 HydrophobicContact CB-CE2 4.23Å; K47-Y57 HydrophobicContact CB-CE2 4.15Å; K47-Y57 HydrophobicContact CD-CE2 4.28Å; K47-F61 HydrophobicContact CD-CD1 4.18Å; K47-F61 HydrophobicContact CD-CD2 4.03Å; K47-F61 HydrophobicContact CD-CE1 4.05Å; K47-F61 HydrophobicContact CD-CE2 3.9Å; K47-F61 HydrophobicContact CD-CG 4.16Å; K47-F61 HydrophobicContact CD-CZ 3.9Å; K47-F61 VanDerWaalsContact NZ-CD1 3.26Å
48	D	84.1	Confident	84.5	Confident	117 Å²	117	56.5 Å²	56.5	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	40.1	179.8	-45.7	-34	0	0	0	112.6	N50	D48-N50 PolarHBondContact O-N 2.91Å; D48-N50 VanDerWaalsContact O-N 3.11Å; D48-N50 PolarHBondContact O-ND2 3.15Å
49	Q	78.5	Confident	84.7	Confident	138 Å²	138	55.7 Å²	55.7	65%	0.645	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	2.6	-172.3	-50.7	-176.9	44.1	0	0	115.9	K47	K47-Q49 PolarHBondContact O-N 3.4Å
50	N	85.5	Confident	84.8	Confident	60 Å²	60	59.5 Å²	59.5	32%	0.321	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.8	-179.8	-65.6	-51.5	0	0	0	111.8	I33 V46 K47 D48 Y52	I33-N50 HydrophobicContact CD1-CB 3.62Å; I33-N50 WeakPolarHBondContact CD1-OD1 3.38Å; V46-N50 WeakPolarHBondContact CA-O 3.32Å; K47-N50 PolarHBondContact N-O 3.12Å; K47-N50 WeakPolarHBondContact O-CA 3.47Å; K47-N50 VanDerWaalsContact O-CB 3.31Å; K47-N50 WeakPolarHBondContact O-CB 3.35Å; K47-N50 PolarHBondContact O-N 3.11Å; D48-N50 PolarHBondContact O-N 2.91Å; D48-N50 VanDerWaalsContact O-N 3.11Å; D48-N50 PolarHBondContact O-ND2 3.15Å; N50-Y52 HydrophobicContact CB-CD2 4.45Å; N50-Y52 HydrophobicContact CB-CE2 3.58Å
51	F	88.5	Confident	85.4	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.3	180	-61	-79	0	0	0	111.6	V8 I20 V25 F30 C32 I33 L39 F44 V46	V8-F51 HydrophobicContact CG2-CD2 3.97Å; V8-F51 HydrophobicContact CG2-CE2 3.57Å; I20-F51 HydrophobicContact CD1-CD1 4.46Å; I20-F51 HydrophobicContact CD1-CE1 3.7Å; I20-F51 HydrophobicContact CD1-CZ 4.19Å; V25-F51 HydrophobicContact CG2-CE2 4.08Å; V25-F51 HydrophobicContact CG2-CZ 3.8Å; F30-F51 HydrophobicContact CD2-CD1 4.02Å; F30-F51 HydrophobicContact CD2-CE1 4.31Å; F30-F51 HydrophobicContact CD2-CG 4.25Å; F30-F51 AromaticContact CE2-CD1 3.77Å; F30-F51 HydrophobicContact CE2-CD1 3.77Å; F30-F51 HydrophobicContact CE2-CE1 4.15Å; F30-F51 HydrophobicContact CE2-CG 4.36Å; C32-F51 WeakPolarHBondContact CA-O 3.46Å; I33-F51 PolarHBondContact N-O 3.44Å; I33-F51 VanDerWaalsContact N-O 3.07Å; L39-F51 HydrophobicContact CD1-CB 3.68Å; F44-F51 HydrophobicContact CD2-CD1 4.31Å; V46-F51 HydrophobicContact CG2-CD1 3.9Å; V46-F51 HydrophobicContact CG2-CE1 3.76Å
52	Y	90.5	Very high	86.2	Confident	15 Å²	15	52.7 Å²	52.7	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.3	-179.9	-61.7	-90.9	0	0	0	111.9	K34 F44 F45 K47 N50 Y57 F61	K34-Y52 HydrophobicContact CG-CD1 4.28Å; K34-Y52 HydrophobicContact CG-CE1 4.15Å; F44-Y52 WeakPolarHBondContact CA-O 3.43Å; F45-Y52 PolarHBondContact N-O 3.18Å; F45-Y52 PolarHBondContact O-N 2.99Å; K47-Y52 HydrophobicContact CB-CE2 4.23Å; N50-Y52 HydrophobicContact CB-CD2 4.45Å; N50-Y52 HydrophobicContact CB-CE2 3.58Å; Y52-Y57 HydrophobicContact CD2-CD2 4.36Å; Y52-Y57 HydrophobicContact CG-CD2 4.38Å; Y52-F61 HydrophobicContact CD1-CE2 4.31Å; Y52-F61 HydrophobicContact CD2-CE2 4.27Å; Y52-F61 AromaticContact CE1-CE2 3.93Å; Y52-F61 HydrophobicContact CE1-CE2 3.93Å; Y52-F61 HydrophobicContact CE1-CZ 4.39Å; Y52-F61 AromaticContact CE2-CE2 3.88Å; Y52-F61 HydrophobicContact CE2-CE2 3.88Å; Y52-F61 HydrophobicContact CE2-CZ 4.39Å; Y52-F61 HydrophobicContact CG-CE2 4.47Å; Y52-F61 AromaticContact CZ-CE2 3.71Å; Y52-F61 AromaticContact CZ-CZ 3.98Å
53	C	91	Very high	87.1	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.068	28%	0.283	C	S	.	.			trans	-78.5	160.8	164.1	90.9	0	0	0	0	110	C32 L39 N55 D56 Y57	C32-C53 HydrophobicContact CB-CB 4.08Å; C32-C53 PolarHBondContact SG-N 3.26Å; L39-C53 HydrophobicContact CD2-CB 3.66Å; C53-N55 VanDerWaalsContact C-N 3.35Å; C53-N55 PolarHBondContact O-N 3.46Å; C53-D56 PolarHBondContact O-N 3.07Å; C53-D56 PolarHBondContact SG-OD2 3.31Å; C53-Y57 WeakPolarHBondContact O-CB 3.4Å; C53-Y57 PolarHBondContact O-N 3.49Å
54	P	88.4	Confident	87.5	Confident	41 Å²	41	58.4 Å²	58.4	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-57.8	-44.8	-173.7	-26.5	37.2	0	0	0	113.1	G43 F45 D56 Y57 Q58	G43-P54 VanDerWaalsContact O-CD 3.27Å; G43-P54 WeakPolarHBondContact O-CD 3.23Å; G43-P54 WeakPolarHBondContact O-CG 3.46Å; F45-P54 HydrophobicContact CE2-CB 4.04Å; F45-P54 HydrophobicContact CE2-CG 4.33Å; P54-D56 PolarHBondContact O-N 3.16Å; P54-Y57 PolarHBondContact O-N 3.05Å; P54-Q58 VanDerWaalsContact O-CB 3.24Å; P54-Q58 WeakPolarHBondContact O-CB 3.32Å; P54-Q58 PolarHBondContact O-N 3.3Å
55	N	89	Confident	87.7	Confident	108 Å²	108	57.7 Å²	57.7	58%	0.578	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-43.3	179.8	-55.2	43.4	0	0	0	112	C53 T59	C53-N55 VanDerWaalsContact C-N 3.35Å; C53-N55 PolarHBondContact O-N 3.46Å; N55-T59 VanDerWaalsContact O-CB 3.31Å; N55-T59 WeakPolarHBondContact O-CB 3.28Å; N55-T59 PolarHBondContact O-N 3Å; N55-T59 PolarHBondContact O-OG1 2.67Å
56	D	91	Very high	87.7	Confident	32 Å²	32	62 Å²	62	17%	0.171	32%	0.315	C	S	.	.	H	α-helix	trans	-72.9	-39.3	-179.3	-62.2	-35.8	0	0	0	111.1	C32 K34 C35 C53 P54 T59 Q60	C32-D56 PolarHBondContact SG-OD2 2.95Å; K34-D56 HydrophobicContact CB-CB 3.91Å; K34-D56 HydrophobicContact CG-CB 4.32Å; C35-D56 WeakPolarHBondContact CB-OD2 3.47Å; C35-D56 PolarHBondContact N-OD2 3.42Å; C35-D56 PolarHBondContact SG-OD2 3.31Å; C53-D56 PolarHBondContact O-N 3.07Å; C53-D56 PolarHBondContact SG-OD2 3.31Å; P54-D56 PolarHBondContact O-N 3.16Å; D56-T59 PolarHBondContact O-N 3.22Å; D56-Q60 WeakPolarHBondContact O-CB 3.48Å; D56-Q60 VanDerWaalsContact O-CG 3.29Å; D56-Q60 WeakPolarHBondContact O-CG 3.42Å; D56-Q60 PolarHBondContact O-N 2.89Å
57	Y	90.2	Very high	87.7	Confident	25 Å²	25	62.9 Å²	62.9	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-48.3	174.3	-175.3	-87	0	0	0	110.7	F45 K47 Y52 C53 P54 T59 Q60 F61 G246	F45-Y57 HydrophobicContact CB-CD1 4.35Å; F45-Y57 HydrophobicContact CB-CD2 3.29Å; F45-Y57 HydrophobicContact CB-CE2 3.71Å; F45-Y57 HydrophobicContact CB-CG 3.65Å; F45-Y57 HydrophobicContact CD1-CD1 4.41Å; F45-Y57 HydrophobicContact CD1-CE1 4.46Å; F45-Y57 AromaticContact CD2-CD1 3.95Å; F45-Y57 HydrophobicContact CD2-CD1 3.95Å; F45-Y57 HydrophobicContact CD2-CD2 4.26Å; F45-Y57 AromaticContact CD2-CG 3.68Å; F45-Y57 HydrophobicContact CD2-CG 3.68Å; F45-Y57 HydrophobicContact CE2-CD1 4.34Å; F45-Y57 HydrophobicContact CE2-CG 4.47Å; F45-Y57 AromaticContact CG-CD1 3.98Å; F45-Y57 HydrophobicContact CG-CD1 3.98Å; F45-Y57 AromaticContact CG-CD2 3.84Å; F45-Y57 HydrophobicContact CG-CD2 3.84Å; F45-Y57 HydrophobicContact CG-CE1 4.4Å; F45-Y57 HydrophobicContact CG-CE2 4.23Å; F45-Y57 AromaticContact CG-CG 3.7Å; F45-Y57 HydrophobicContact CG-CG 3.7Å; K47-Y57 HydrophobicContact CB-CE2 4.15Å; K47-Y57 HydrophobicContact CD-CE2 4.28Å; Y52-Y57 HydrophobicContact CD2-CD2 4.36Å; Y52-Y57 HydrophobicContact CG-CD2 4.38Å; C53-Y57 WeakPolarHBondContact O-CB 3.4Å; C53-Y57 PolarHBondContact O-N 3.49Å; P54-Y57 PolarHBondContact O-N 3.05Å; Y57-T59 VanDerWaalsContact C-N 3.33Å; Y57-T59 PolarHBondContact O-N 2.85Å; Y57-Q60 PolarHBondContact O-N 2.93Å; Y57-F61 AromaticContact CD2-CD2 3.61Å; Y57-F61 HydrophobicContact CD2-CD2 3.61Å; Y57-F61 HydrophobicContact CD2-CE2 4.19Å; Y57-F61 HydrophobicContact CE1-CB 4.26Å; Y57-F61 AromaticContact CE2-CD2 3.7Å; Y57-F61 HydrophobicContact CE2-CD2 3.7Å; Y57-F61 HydrophobicContact CE2-CE2 4.37Å; Y57-F61 HydrophobicContact CE2-CG 4.45Å; Y57-F61 HydrophobicContact CG-CD2 4.13Å; Y57-F61 WeakPolarHBondContact O-CA 3.4Å; Y57-F61 WeakPolarHBondContact O-CB 3.35Å; Y57-F61 PolarHBondContact O-N 3.07Å; Y57-G246 PolarHBondContact OH-O 2.85Å
58	Q	89.3	Confident	88	Confident	56 Å²	56	62.6 Å²	62.6	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-37.9	176.5	-177.8	170.6	68.7	0	0	112	P54 G62 Y71 E73	P54-Q58 VanDerWaalsContact O-CB 3.24Å; P54-Q58 WeakPolarHBondContact O-CB 3.32Å; P54-Q58 PolarHBondContact O-N 3.3Å; Q58-G62 WeakPolarHBondContact O-CA 3.31Å; Q58-G62 PolarHBondContact O-N 3.38Å; Q58-Y71 HydrophobicContact CG-CD1 3.81Å; Q58-Y71 HydrophobicContact CG-CD2 3.47Å; Q58-Y71 VanDerWaalsContact CG-CD2 3.47Å; Q58-Y71 HydrophobicContact CG-CE1 4.25Å; Q58-Y71 HydrophobicContact CG-CE2 3.95Å; Q58-Y71 HydrophobicContact CG-CG 3.4Å; Q58-Y71 WeakPolarHBondContact O-CE1 3.33Å; Q58-E73 PolarHBondContact NE2-OE1 3.28Å
59	T	87.7	Confident	88.1	Confident	94 Å²	94	63.9 Å²	63.9	58%	0.577	33%	0.329	S	S	*	.	H	α-helix	trans	-71.8	-31.7	177.5	-55.2	0	0	0	0	113	N55 D56 Y57	N55-T59 VanDerWaalsContact O-CB 3.31Å; N55-T59 WeakPolarHBondContact O-CB 3.28Å; N55-T59 PolarHBondContact O-N 3Å; N55-T59 PolarHBondContact O-OG1 2.67Å; D56-T59 PolarHBondContact O-N 3.22Å; Y57-T59 VanDerWaalsContact C-N 3.33Å; Y57-T59 PolarHBondContact O-N 2.85Å
60	Q	86.8	Confident	88.5	Confident	87 Å²	87	58.7 Å²	58.7	41%	0.407	31%	0.313	S	S	.	.	H	α-helix	trans	-90.2	-30	-179.7	-67.5	-126.5	-92.8	0	0	114.2	D56 Y57	D56-Q60 WeakPolarHBondContact O-CB 3.48Å; D56-Q60 VanDerWaalsContact O-CG 3.29Å; D56-Q60 WeakPolarHBondContact O-CG 3.42Å; D56-Q60 PolarHBondContact O-N 2.89Å; Y57-Q60 PolarHBondContact O-N 2.93Å
61	F	86.9	Confident	88.7	Confident	66 Å²	66	59.5 Å²	59.5	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-136.2	0.2	-168.8	-50.1	-61.3	0	0	0	113.9	K47 Y52 Y57	K47-F61 HydrophobicContact CD-CD1 4.18Å; K47-F61 HydrophobicContact CD-CD2 4.03Å; K47-F61 HydrophobicContact CD-CE1 4.05Å; K47-F61 HydrophobicContact CD-CE2 3.9Å; K47-F61 HydrophobicContact CD-CG 4.16Å; K47-F61 HydrophobicContact CD-CZ 3.9Å; K47-F61 VanDerWaalsContact NZ-CD1 3.26Å; Y52-F61 HydrophobicContact CD1-CE2 4.31Å; Y52-F61 HydrophobicContact CD2-CE2 4.27Å; Y52-F61 AromaticContact CE1-CE2 3.93Å; Y52-F61 HydrophobicContact CE1-CE2 3.93Å; Y52-F61 HydrophobicContact CE1-CZ 4.39Å; Y52-F61 AromaticContact CE2-CE2 3.88Å; Y52-F61 HydrophobicContact CE2-CE2 3.88Å; Y52-F61 HydrophobicContact CE2-CZ 4.39Å; Y52-F61 HydrophobicContact CG-CE2 4.47Å; Y52-F61 AromaticContact CZ-CE2 3.71Å; Y52-F61 AromaticContact CZ-CZ 3.98Å; Y57-F61 AromaticContact CD2-CD2 3.61Å; Y57-F61 HydrophobicContact CD2-CD2 3.61Å; Y57-F61 HydrophobicContact CD2-CE2 4.19Å; Y57-F61 HydrophobicContact CE1-CB 4.26Å; Y57-F61 AromaticContact CE2-CD2 3.7Å; Y57-F61 HydrophobicContact CE2-CD2 3.7Å; Y57-F61 HydrophobicContact CE2-CE2 4.37Å; Y57-F61 HydrophobicContact CE2-CG 4.45Å; Y57-F61 HydrophobicContact CG-CD2 4.13Å; Y57-F61 WeakPolarHBondContact O-CA 3.4Å; Y57-F61 WeakPolarHBondContact O-CB 3.35Å; Y57-F61 PolarHBondContact O-N 3.07Å
62	G	85.5	Confident	88.6	Confident	27 Å²	27	60 Å²	60	28%	0.278	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-72.4	127	-179.8	0	0	0	0	0	112.5	Q58	Q58-G62 WeakPolarHBondContact O-CA 3.31Å; Q58-G62 PolarHBondContact O-N 3.38Å
63	V	89	Confident	88.1	Confident	43 Å²	43	65.4 Å²	65.4	26%	0.261	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-66.6	130.8	170.8	172.7	0	0	0	0	109.4	Y71 V72 T83 I244	V63-Y71 CarbonylContact O-C 3.56Å; V63-Y71 VanDerWaalsContact O-CA 3.32Å; V63-Y71 WeakPolarHBondContact O-CA 3.35Å; V63-V72 PolarHBondContact O-N 3.01Å; V63-T83 VanDerWaalsContact CG1-CB 3.5Å; V63-T83 HydrophobicContact CG1-CG2 3.52Å; V63-T83 VanDerWaalsContact CG1-OG1 3.29Å; V63-T83 WeakPolarHBondContact CG1-OG1 3.34Å; V63-I244 HydrophobicContact CB-CD1 4.23Å; V63-I244 HydrophobicContact CG2-CD1 3.91Å
64	R	90.3	Very high	87.6	Confident	147 Å²	147	68.4 Å²	68.4	56%	0.555	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-101.8	149.6	178.6	-68.5	-175	-68.7	157.1	-0.1	111.4	Q69 Y71 T83	R64-Q69 WeakPolarHBondContact CD-O 3.42Å; R64-Y71 HydrophobicContact CG-CD1 3.59Å; R64-Y71 HydrophobicContact CG-CE1 3.6Å; R64-Y71 HydrophobicContact CG-CG 4.49Å; R64-T83 PolarHBondContact O-OG1 2.81Å
65	C	91.7	Very high	87.3	Confident	2 Å²	2	74 Å²	74	1%	0.014	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-81.3	129.6	173.5	177.1	0	0	0	0	110.8	T67 Q69 G70 V72 T83 H85 C88	C65-T67 VanDerWaalsContact C-N 3.3Å; C65-T67 PolarHBondContact O-N 3.38Å; C65-Q69 WeakPolarHBondContact O-CA 3.27Å; C65-Q69 PolarHBondContact O-N 3.46Å; C65-G70 PolarHBondContact N-O 3.06Å; C65-V72 HydrophobicContact CB-CG2 3.89Å; C65-T83 WeakPolarHBondContact CA-O 3.45Å; C65-H85 VanDerWaalsContact CB-CE1 3.4Å; C65-H85 WeakPolarHBondContact CB-CE1 3.34Å; C65-H85 WeakPolarHBondContact CB-ND1 3.35Å; C65-H85 PolarHBondContact SG-ND1 3.46Å; C65-H85 VanDerWaalsContact SG-ND1 3.41Å; C65-C88 VanDerWaalsContact SG-CB 3.52Å
66	E	87.3	Confident	87.1	Confident	105 Å²	105	70.2 Å²	70.2	49%	0.491	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-40.8	177.9	-172.5	81.8	150.4	0	0	112.1	K82 T83 F84	E66-K82 HydrophobicContact CG-CD 4.12Å; E66-K82 WeakPolarHBondContact OE1-CD 3.4Å; E66-K82 WeakPolarHBondContact OE1-CE 3.43Å; E66-K82 IonicContact OE1-NZ 2.74Å; E66-K82 PolarHBondContact OE1-NZ 2.99Å; E66-T83 PolarHBondContact N-O 3.36Å; E66-T83 VanDerWaalsContact N-O 3.13Å; E66-F84 HydrophobicContact CB-CD1 4.32Å; E66-F84 HydrophobicContact CB-CE1 3.65Å; E66-F84 HydrophobicContact CB-CZ 3.98Å; E66-F84 HydrophobicContact CG-CE1 4.37Å
67	T	87	Confident	86.9	Confident	72 Å²	72	70 Å²	70	44%	0.442	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-32	-173.4	-49.2	0	0	0	0	114.1	C65 F84 C88	C65-T67 VanDerWaalsContact C-N 3.3Å; C65-T67 PolarHBondContact O-N 3.38Å; T67-F84 VanDerWaalsContact OG1-CD1 3.28Å; T67-F84 WeakPolarHBondContact OG1-CD1 3.28Å; T67-F84 WeakPolarHBondContact OG1-CE1 3.29Å; T67-C88 HydrophobicContact CG2-CB 4.47Å
68	C	90	Very high	86.7	Confident	65 Å²	65	72.8 Å²	72.8	44%	0.439	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-0.6	-172.2	78	0	0	0	0	114.6	G70 H85 C88	C68-G70 PolarHBondContact O-N 3.31Å; C68-H85 PolarHBondContact SG-CE1 3Å; C68-H85 PolarHBondContact SG-ND1 3.21Å; C68-C88 VanDerWaalsContact SG-SG 3.67Å
69	Q	86.9	Confident	86.4	Confident	144 Å²	144	70.4 Å²	70.4	67%	0.673	39%	0.386	S	S	*	.			trans	59.5	-9.1	179.5	-55	-175.1	7.1	0	0	116.9	R64 C65	R64-Q69 WeakPolarHBondContact CD-O 3.42Å; C65-Q69 WeakPolarHBondContact O-CA 3.27Å; C65-Q69 PolarHBondContact O-N 3.46Å
70	G	86.9	Confident	86.2	Confident	30 Å²	30	72.2 Å²	72.2	31%	0.309	39%	0.391	S	S	.	.	S	Bend	trans	-66.8	155.1	170.9	0	0	0	0	0	112.9	C65 C68	C65-G70 PolarHBondContact N-O 3.06Å; C68-G70 PolarHBondContact O-N 3.31Å
71	Y	88.7	Confident	86	Confident	77 Å²	77	71.9 Å²	71.9	30%	0.302	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-68.5	142.8	178.3	-57.8	-73.5	0	0	0	111.8	Q58 V63 R64 H85	Q58-Y71 HydrophobicContact CG-CD1 3.81Å; Q58-Y71 HydrophobicContact CG-CD2 3.47Å; Q58-Y71 VanDerWaalsContact CG-CD2 3.47Å; Q58-Y71 HydrophobicContact CG-CE1 4.25Å; Q58-Y71 HydrophobicContact CG-CE2 3.95Å; Q58-Y71 HydrophobicContact CG-CG 3.4Å; Q58-Y71 WeakPolarHBondContact O-CE1 3.33Å; V63-Y71 CarbonylContact O-C 3.56Å; V63-Y71 VanDerWaalsContact O-CA 3.32Å; V63-Y71 WeakPolarHBondContact O-CA 3.35Å; R64-Y71 HydrophobicContact CG-CD1 3.59Å; R64-Y71 HydrophobicContact CG-CE1 3.6Å; R64-Y71 HydrophobicContact CG-CG 4.49Å; Y71-H85 PolarHBondContact O-NE2 3.48Å
72	V	86	Confident	86	Confident	14 Å²	14	72.9 Å²	72.9	9%	0.085	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-96.1	121.6	178.1	-160.2	0	0	0	0	109.7	V63 C65 V76	V63-V72 PolarHBondContact O-N 3.01Å; C65-V72 HydrophobicContact CB-CG2 3.89Å; V72-V76 HydrophobicContact CB-CG2 4.2Å; V72-V76 HydrophobicContact CG1-CB 4.23Å; V72-V76 HydrophobicContact CG1-CG1 4.13Å; V72-V76 HydrophobicContact CG1-CG2 3.63Å
73	E	80.1	Confident	86.2	Confident	128 Å²	128	73.3 Å²	73.3	60%	0.598	41%	0.412	S	S	*	.			trans	-116.6	138.6	175.5	-65.9	-179	-165.7	0	0	109.5	Q58	Q58-E73 PolarHBondContact NE2-OE1 3.28Å
74	G	81.1	Confident	86.2	Confident	73 Å²	73	71.3 Å²	71.3	75%	0.753	40%	0.4	S	S	*	.	S	Bend	trans	79.7	-126.8	-179.9	0	0	0	0	0	113.1
75	E	81.1	Confident	86.3	Confident	160 Å²	160	65.6 Å²	65.6	75%	0.748	38%	0.38	S	S	*	.	S	Bend	trans	-74.4	124.7	-176.3	-67.9	173.8	177.8	0	0	111.5	T86	E75-T86 HydrophobicContact CB-CG2 3.96Å
76	V	85.7	Confident	86.1	Confident	28 Å²	28	68.7 Å²	68.7	17%	0.17	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	-177.2	-170.6	0	0	0	0	109.5	V72 T78 T83 I244	V72-V76 HydrophobicContact CB-CG2 4.2Å; V72-V76 HydrophobicContact CG1-CB 4.23Å; V72-V76 HydrophobicContact CG1-CG1 4.13Å; V72-V76 HydrophobicContact CG1-CG2 3.63Å; V76-T78 HydrophobicContact CG1-CG2 4.16Å; V76-T83 HydrophobicContact CG1-CG2 4.05Å; V76-I244 HydrophobicContact CG2-CD1 3.84Å
77	V	86.1	Confident	86.1	Confident	27 Å²	27	68.9 Å²	68.9	16%	0.164	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.7	170.6	-173	0	0	0	0	108	V79 F84 T86 F89	V77-V79 HydrophobicContact CG1-CG2 4.06Å; V77-F84 HydrophobicContact CB-CB 4.45Å; V77-F84 PolarHBondContact N-O 3.4Å; V77-F84 PolarHBondContact O-N 3Å; V77-T86 HydrophobicContact CG2-CG2 4.09Å; V77-F89 HydrophobicContact CB-CB 4.26Å; V77-F89 HydrophobicContact CB-CG 4.39Å; V77-F89 HydrophobicContact CG1-CB 4.26Å; V77-F89 HydrophobicContact CG1-CD1 3.71Å; V77-F89 HydrophobicContact CG1-CD2 4.45Å; V77-F89 HydrophobicContact CG1-CE1 4.22Å; V77-F89 HydrophobicContact CG1-CG 3.87Å; V77-F89 HydrophobicContact CG2-CB 4.43Å
78	T	87.4	Confident	86.2	Confident	83 Å²	83	66 Å²	66	51%	0.509	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.1	-179.7	46.5	0	0	0	0	110.6	V76 K82 T83	V76-T78 HydrophobicContact CG1-CG2 4.16Å; T78-K82 WeakPolarHBondContact CA-O 3.33Å; T78-T83 HydrophobicContact CG2-CG2 3.9Å
79	V	83.1	Confident	86.1	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.036	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	121.4	-177.1	-177.4	0	0	0	0	109.6	V77 G81 K82 F84 F89 I106 Y111	V77-V79 HydrophobicContact CG1-CG2 4.06Å; V79-G81 PolarHBondContact O-N 3.39Å; V79-K82 PolarHBondContact N-O 3.49Å; V79-K82 WeakPolarHBondContact O-CB 3.38Å; V79-K82 PolarHBondContact O-N 2.73Å; V79-F84 HydrophobicContact CB-CE2 4.42Å; V79-F89 HydrophobicContact CB-CE2 4.29Å; V79-F89 HydrophobicContact CG2-CD2 4.42Å; V79-F89 HydrophobicContact CG2-CE1 4.28Å; V79-F89 HydrophobicContact CG2-CE2 3.73Å; V79-F89 HydrophobicContact CG2-CZ 3.68Å; V79-I106 HydrophobicContact CG1-CD1 3.62Å; V79-Y111 HydrophobicContact CB-CE1 4.42Å; V79-Y111 HydrophobicContact CG1-CE1 3.84Å
80	L	82.7	Confident	86.3	Confident	133 Å²	133	62 Å²	62	70%	0.696	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	40.7	-175.3	-56.7	-176.4	0	0	0	113.4	K82 I106	L80-K82 PolarHBondContact O-N 3.15Å; L80-I106 HydrophobicContact CD1-CD1 3.55Å; L80-I106 HydrophobicContact CD1-CG2 4.47Å; L80-I106 HydrophobicContact CG-CD1 3.89Å
81	G	83	Confident	86.5	Confident	80 Å²	80	60.6 Å²	60.6	83%	0.825	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-9.1	-178	0	0	0	0	0	115.5	V79	V79-G81 PolarHBondContact O-N 3.39Å
82	K	87.1	Confident	86.4	Confident	87 Å²	87	60.6 Å²	60.6	38%	0.378	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.2	174.1	-62	-168.2	177.7	-164.2	0	111.5	E66 T78 V79 L80 F84	E66-K82 HydrophobicContact CG-CD 4.12Å; E66-K82 WeakPolarHBondContact OE1-CD 3.4Å; E66-K82 WeakPolarHBondContact OE1-CE 3.43Å; E66-K82 IonicContact OE1-NZ 2.74Å; E66-K82 PolarHBondContact OE1-NZ 2.99Å; T78-K82 WeakPolarHBondContact CA-O 3.33Å; V79-K82 PolarHBondContact N-O 3.49Å; V79-K82 WeakPolarHBondContact O-CB 3.38Å; V79-K82 PolarHBondContact O-N 2.73Å; L80-K82 PolarHBondContact O-N 3.15Å; K82-F84 HydrophobicContact CB-CE2 3.67Å; K82-F84 HydrophobicContact CB-CZ 3.95Å
83	T	89.7	Confident	86.5	Confident	35 Å²	35	64.3 Å²	64.3	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.4	-174.9	40.9	0	0	0	0	111.6	V63 R64 C65 E66 V76 T78	V63-T83 VanDerWaalsContact CG1-CB 3.5Å; V63-T83 HydrophobicContact CG1-CG2 3.52Å; V63-T83 VanDerWaalsContact CG1-OG1 3.29Å; V63-T83 WeakPolarHBondContact CG1-OG1 3.34Å; R64-T83 PolarHBondContact O-OG1 2.81Å; C65-T83 WeakPolarHBondContact CA-O 3.45Å; E66-T83 PolarHBondContact N-O 3.36Å; E66-T83 VanDerWaalsContact N-O 3.13Å; V76-T83 HydrophobicContact CG1-CG2 4.05Å; T78-T83 HydrophobicContact CG2-CG2 3.9Å
84	F	89.1	Confident	86.9	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.009	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.5	-178.2	-58.8	-87.4	0	0	0	111.4	E66 T67 V77 V79 K82 F89 Y111	E66-F84 HydrophobicContact CB-CD1 4.32Å; E66-F84 HydrophobicContact CB-CE1 3.65Å; E66-F84 HydrophobicContact CB-CZ 3.98Å; E66-F84 HydrophobicContact CG-CE1 4.37Å; T67-F84 VanDerWaalsContact OG1-CD1 3.28Å; T67-F84 WeakPolarHBondContact OG1-CD1 3.28Å; T67-F84 WeakPolarHBondContact OG1-CE1 3.29Å; V77-F84 HydrophobicContact CB-CB 4.45Å; V77-F84 PolarHBondContact N-O 3.4Å; V77-F84 PolarHBondContact O-N 3Å; V79-F84 HydrophobicContact CB-CE2 4.42Å; K82-F84 HydrophobicContact CB-CE2 3.67Å; K82-F84 HydrophobicContact CB-CZ 3.95Å; F84-F89 HydrophobicContact CB-CB 4.07Å; F84-F89 HydrophobicContact CB-CD2 4.43Å; F84-F89 HydrophobicContact CD1-CD2 4.49Å; F84-F89 AromaticContact CD2-CD2 3.94Å; F84-F89 HydrophobicContact CD2-CD2 3.94Å; F84-F89 HydrophobicContact CD2-CE2 4.49Å; F84-F89 HydrophobicContact CE2-CD2 4.35Å; F84-F89 HydrophobicContact CG-CD2 4.03Å; F84-Y111 HydrophobicContact CE1-CE2 4.09Å; F84-Y111 HydrophobicContact CE2-CE2 4.35Å; F84-Y111 AromaticContact CZ-CE2 3.61Å; F84-Y111 HydrophobicContact CZ-CE2 3.61Å; F84-Y111 AromaticContact CZ-CZ 3.66Å; F84-Y111 WeakPolarHBondContact CZ-OH 3.38Å
85	H	91.1	Very high	87.2	Confident	26 Å²	26	66.8 Å²	66.8	12%	0.12	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	148.5	158.3	-54.6	92.6	0	0	0	110.1	C65 C68 Y71 H87 C88 F89	C65-H85 VanDerWaalsContact CB-CE1 3.4Å; C65-H85 WeakPolarHBondContact CB-CE1 3.34Å; C65-H85 WeakPolarHBondContact CB-ND1 3.35Å; C65-H85 PolarHBondContact SG-ND1 3.46Å; C65-H85 VanDerWaalsContact SG-ND1 3.41Å; C68-H85 PolarHBondContact SG-CE1 3Å; C68-H85 PolarHBondContact SG-ND1 3.21Å; Y71-H85 PolarHBondContact O-NE2 3.48Å; H85-H87 WeakPolarHBondContact CB-CE1 3.32Å; H85-H87 AromaticContact CD2-CE1 3.82Å; H85-H87 AromaticContact CG-CE1 3.5Å; H85-H87 AromaticContact CG-NE2 3.94Å; H85-H87 PolarHBondContact O-N 3.12Å; H85-H87 VanDerWaalsContact O-N 3.14Å; H85-C88 HydrophobicContact CB-CB 4.05Å; H85-C88 WeakPolarHBondContact O-CA 3.41Å; H85-C88 WeakPolarHBondContact O-CB 3.29Å; H85-C88 PolarHBondContact O-N 3.07Å; H85-F89 PolarHBondContact O-N 2.79Å
86	T	87.8	Confident	87.4	Confident	68 Å²	68	63.8 Å²	63.8	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-37.7	172.3	52.7	0	0	0	0	113.6	E75 V77	E75-T86 HydrophobicContact CB-CG2 3.96Å; V77-T86 HydrophobicContact CG2-CG2 4.09Å
87	H	87.1	Confident	87.5	Confident	108 Å²	108	66.5 Å²	66.5	50%	0.5	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.5	177.6	67.9	-98.8	0	0	0	114.6	H85	H85-H87 WeakPolarHBondContact CB-CE1 3.32Å; H85-H87 AromaticContact CD2-CE1 3.82Å; H85-H87 AromaticContact CG-CE1 3.5Å; H85-H87 AromaticContact CG-NE2 3.94Å; H85-H87 PolarHBondContact O-N 3.12Å; H85-H87 VanDerWaalsContact O-N 3.14Å
88	C	88.6	Confident	87.4	Confident	11 Å²	11	66.2 Å²	66.2	7%	0.074	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-26.6	176.3	-80.6	0	0	0	0	112.2	C65 T67 C68 H85 R90	C65-C88 VanDerWaalsContact SG-CB 3.52Å; T67-C88 HydrophobicContact CG2-CB 4.47Å; C68-C88 VanDerWaalsContact SG-SG 3.67Å; H85-C88 HydrophobicContact CB-CB 4.05Å; H85-C88 WeakPolarHBondContact O-CA 3.41Å; H85-C88 WeakPolarHBondContact O-CB 3.29Å; H85-C88 PolarHBondContact O-N 3.07Å; C88-R90 PolarHBondContact O-N 2.9Å
89	F	88.5	Confident	87.1	Confident	6 Å²	6	67.3 Å²	67.3	3%	0.026	35%	0.352	C	S	.	.			trans	-76.6	88.1	175.1	-162.3	-114.1	0	0	0	110.6	V77 V79 F84 H85 F98 T104 Y111 I237	V77-F89 HydrophobicContact CB-CB 4.26Å; V77-F89 HydrophobicContact CB-CG 4.39Å; V77-F89 HydrophobicContact CG1-CB 4.26Å; V77-F89 HydrophobicContact CG1-CD1 3.71Å; V77-F89 HydrophobicContact CG1-CD2 4.45Å; V77-F89 HydrophobicContact CG1-CE1 4.22Å; V77-F89 HydrophobicContact CG1-CG 3.87Å; V77-F89 HydrophobicContact CG2-CB 4.43Å; V79-F89 HydrophobicContact CB-CE2 4.29Å; V79-F89 HydrophobicContact CG2-CD2 4.42Å; V79-F89 HydrophobicContact CG2-CE1 4.28Å; V79-F89 HydrophobicContact CG2-CE2 3.73Å; V79-F89 HydrophobicContact CG2-CZ 3.68Å; F84-F89 HydrophobicContact CB-CB 4.07Å; F84-F89 HydrophobicContact CB-CD2 4.43Å; F84-F89 HydrophobicContact CD1-CD2 4.49Å; F84-F89 AromaticContact CD2-CD2 3.94Å; F84-F89 HydrophobicContact CD2-CD2 3.94Å; F84-F89 HydrophobicContact CD2-CE2 4.49Å; F84-F89 HydrophobicContact CE2-CD2 4.35Å; F84-F89 HydrophobicContact CG-CD2 4.03Å; H85-F89 PolarHBondContact O-N 2.79Å; F89-F98 HydrophobicContact CD1-CB 4.14Å; F89-F98 AromaticContact CD1-CD2 3.3Å; F89-F98 HydrophobicContact CD1-CD2 3.3Å; F89-F98 AromaticContact CD1-CE2 4Å; F89-F98 HydrophobicContact CD1-CE2 4Å; F89-F98 HydrophobicContact CD1-CG 4.09Å; F89-F98 HydrophobicContact CE1-CB 4.08Å; F89-F98 AromaticContact CE1-CD2 3.26Å; F89-F98 HydrophobicContact CE1-CD2 3.26Å; F89-F98 AromaticContact CE1-CE2 3.77Å; F89-F98 HydrophobicContact CE1-CE2 3.77Å; F89-F98 AromaticContact CE1-CG 3.85Å; F89-F98 HydrophobicContact CE1-CG 3.85Å; F89-F98 HydrophobicContact CE2-CE2 4.32Å; F89-F98 AromaticContact CG-CD2 3.98Å; F89-F98 HydrophobicContact CG-CD2 3.98Å; F89-F98 HydrophobicContact CG-CE2 4.35Å; F89-F98 AromaticContact CZ-CD2 3.91Å; F89-F98 HydrophobicContact CZ-CD2 3.91Å; F89-F98 AromaticContact CZ-CE2 3.92Å; F89-F98 HydrophobicContact CZ-CE2 3.92Å; F89-F98 WeakPolarHBondContact O-CD2 3.37Å; F89-T104 HydrophobicContact CE1-CG2 4.19Å; F89-T104 HydrophobicContact CZ-CG2 4.38Å; F89-Y111 AromaticContact CE2-CD1 3.49Å; F89-Y111 HydrophobicContact CE2-CD1 3.49Å; F89-Y111 VanDerWaalsContact CE2-CD1 3.49Å; F89-Y111 HydrophobicContact CE2-CD2 4.24Å; F89-Y111 AromaticContact CE2-CE1 3.83Å; F89-Y111 HydrophobicContact CE2-CE1 3.83Å; F89-Y111 AromaticContact CE2-CG 3.75Å; F89-Y111 HydrophobicContact CE2-CG 3.75Å; F89-Y111 AromaticContact CZ-CD1 3.92Å; F89-Y111 HydrophobicContact CZ-CD1 3.92Å; F89-Y111 HydrophobicContact CZ-CE1 4.47Å; F89-Y111 HydrophobicContact CZ-CG 4.35Å; F89-I237 HydrophobicContact CD1-CD1 4.25Å; F89-I237 HydrophobicContact CE1-CD1 3.79Å; F89-I237 HydrophobicContact CE1-CG1 4.49Å
90	R	90.9	Very high	86.7	Confident	119 Å²	119	70.4 Å²	70.4	45%	0.449	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-138.6	152.7	-175.5	71.1	-170.7	174.5	-168.3	-5.2	111.2	C88 R96 L97	C88-R90 PolarHBondContact O-N 2.9Å; R90-R96 WeakPolarHBondContact CA-O 3.42Å; R90-L97 HydrophobicContact CB-CD2 4.07Å
91	C	91.1	Very high	86.2	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.007	36%	0.359	C	S	.	.			trans	-64.6	135.1	178	175.5	0	0	0	0	112	T93 C94 R95 R96 F98 Y111 C113 C116	C91-T93 PolarHBondContact O-N 3.4Å; C91-C94 VanDerWaalsContact CB-SG 3.53Å; C91-C94 VanDerWaalsContact SG-SG 3.7Å; C91-R95 WeakPolarHBondContact O-CA 3.38Å; C91-R95 PolarHBondContact O-N 3.28Å; C91-R96 PolarHBondContact N-O 3.49Å; C91-F98 HydrophobicContact CB-CE1 4.13Å; C91-F98 HydrophobicContact CB-CZ 3.9Å; C91-Y111 CarbonylContact C-O 3.55Å; C91-Y111 VanDerWaalsContact CA-O 3.29Å; C91-Y111 WeakPolarHBondContact CA-O 3.46Å; C91-C113 HydrophobicContact CB-CB 4.08Å; C91-C113 PolarHBondContact SG-N 3.47Å; C91-C116 PolarHBondContact SG-SG 3.19Å
92	T	86.9	Confident	86	Confident	77 Å²	77	63.7 Å²	63.7	47%	0.472	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-50.1	177.6	-45.6	0	0	0	0	112.1	Y111	T92-Y111 PolarHBondContact N-O 2.99Å; T92-Y111 PolarHBondContact OG1-N 2.86Å; T92-Y111 PolarHBondContact OG1-O 3.43Å
93	T	87.2	Confident	85.8	Confident	93 Å²	93	65.7 Å²	65.7	57%	0.571	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-56	-175.2	-36.6	0	0	0	0	113.6	C91 Y112	C91-T93 PolarHBondContact O-N 3.4Å; T93-Y112 WeakPolarHBondContact OG1-CD1 3.43Å; T93-Y112 WeakPolarHBondContact OG1-CE1 3.25Å
94	C	89.6	Confident	85.4	Confident	62 Å²	62	64 Å²	64	42%	0.419	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.4	-172.4	72.2	0	0	0	0	114.7	C91 R96 C116	C91-C94 VanDerWaalsContact CB-SG 3.53Å; C91-C94 VanDerWaalsContact SG-SG 3.7Å; C94-R96 PolarHBondContact O-N 2.84Å; C94-C116 PolarHBondContact SG-SG 2.94Å
95	R	86.7	Confident	85.2	Confident	190 Å²	190	64.7 Å²	64.7	72%	0.717	33%	0.327	S	S	*	.			trans	57.3	5.1	-177.2	-57	-177.9	179.9	-176.2	-0	116.3	C91	C91-R95 WeakPolarHBondContact O-CA 3.38Å; C91-R95 PolarHBondContact O-N 3.28Å
96	R	85.7	Confident	84.9	Confident	97 Å²	97	65.5 Å²	65.5	37%	0.366	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.3	139.8	173.2	-166	-179.8	52.7	82.2	-10.9	110.4	R90 C91 C94 E102	R90-R96 WeakPolarHBondContact CA-O 3.42Å; C91-R96 PolarHBondContact N-O 3.49Å; C94-R96 PolarHBondContact O-N 2.84Å; R96-E102 IonicContact CZ-OE1 2.68Å; R96-E102 IonicContact CZ-OE2 3.17Å; R96-E102 IonicContact NH1-OE1 2.66Å; R96-E102 IonicContact NH1-OE2 3.68Å; R96-E102 PolarHBondContact NH1-OE2 2.82Å; R96-E102 VanDerWaalsContact NH2-CD 3.32Å; R96-E102 IonicContact NH2-OE1 3.78Å; R96-E102 PolarHBondContact NH2-OE1 2.9Å; R96-E102 IonicContact NH2-OE2 2.74Å; R96-E102 PolarHBondContact NH2-OE2 2.66Å; R96-E102 VanDerWaalsContact NH2-OE2 3.17Å
97	L	87	Confident	84.9	Confident	85 Å²	85	65.1 Å²	65.1	45%	0.445	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-65.8	146	168	-57.7	179.2	0	0	0	109.9	R90	R90-L97 HydrophobicContact CB-CD2 4.07Å
98	F	85.4	Confident	84.5	Confident	21 Å²	21	67.8 Å²	67.8	9%	0.092	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-82.9	135.7	175.7	-58	-80.5	0	0	0	110.5	F89 C91 T104 C113 I237	F89-F98 HydrophobicContact CD1-CB 4.14Å; F89-F98 AromaticContact CD1-CD2 3.3Å; F89-F98 HydrophobicContact CD1-CD2 3.3Å; F89-F98 AromaticContact CD1-CE2 4Å; F89-F98 HydrophobicContact CD1-CE2 4Å; F89-F98 HydrophobicContact CD1-CG 4.09Å; F89-F98 HydrophobicContact CE1-CB 4.08Å; F89-F98 AromaticContact CE1-CD2 3.26Å; F89-F98 HydrophobicContact CE1-CD2 3.26Å; F89-F98 AromaticContact CE1-CE2 3.77Å; F89-F98 HydrophobicContact CE1-CE2 3.77Å; F89-F98 AromaticContact CE1-CG 3.85Å; F89-F98 HydrophobicContact CE1-CG 3.85Å; F89-F98 HydrophobicContact CE2-CE2 4.32Å; F89-F98 AromaticContact CG-CD2 3.98Å; F89-F98 HydrophobicContact CG-CD2 3.98Å; F89-F98 HydrophobicContact CG-CE2 4.35Å; F89-F98 AromaticContact CZ-CD2 3.91Å; F89-F98 HydrophobicContact CZ-CD2 3.91Å; F89-F98 AromaticContact CZ-CE2 3.92Å; F89-F98 HydrophobicContact CZ-CE2 3.92Å; F89-F98 WeakPolarHBondContact O-CD2 3.37Å; C91-F98 HydrophobicContact CB-CE1 4.13Å; C91-F98 HydrophobicContact CB-CZ 3.9Å; F98-T104 HydrophobicContact CB-CG2 4.13Å; F98-T104 HydrophobicContact CD1-CG2 3.29Å; F98-T104 HydrophobicContact CD2-CG2 4.29Å; F98-T104 HydrophobicContact CE1-CG2 3.54Å; F98-T104 HydrophobicContact CE2-CG2 4.49Å; F98-T104 HydrophobicContact CG-CG2 3.66Å; F98-T104 HydrophobicContact CZ-CG2 4.14Å; F98-C113 HydrophobicContact CE1-CB 4.23Å; F98-I237 HydrophobicContact CB-CD1 3.51Å; F98-I237 HydrophobicContact CG-CD1 4.46Å
99	N	80.1	Confident	84.1	Confident	106 Å²	106	69.4 Å²	69.4	57%	0.567	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-82.3	153.6	178.7	-68.6	29	0	0	0	110.7	G101 E102	N99-G101 PolarHBondContact O-N 3.09Å; N99-E102 HydrophobicContact CB-CB 4.34Å; N99-E102 PolarHBondContact N-OE2 2.86Å; N99-E102 WeakPolarHBondContact O-CB 3.45Å; N99-E102 PolarHBondContact O-N 3.16Å
100	S	74.4	Confident	84	Confident	72 Å²	72	70.6 Å²	70.6	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	130.8	167.3	-54.4	0	0	0	0	111.1	E102 E239	S100-E102 PolarHBondContact O-N 3.19Å; S100-E239 WeakPolarHBondContact CB-OE1 3.33Å; S100-E239 PolarHBondContact OG-OE1 2.69Å
101	G	73.5	Confident	83.8	Confident	36 Å²	36	66 Å²	66	37%	0.371	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-2.4	-176	0	0	0	0	0	115.9	N99 I237	N99-G101 PolarHBondContact O-N 3.09Å; G101-I237 WeakPolarHBondContact CA-O 3.4Å; G101-I237 PolarHBondContact N-O 2.65Å
102	E	79.1	Confident	83.7	Confident	36 Å²	36	67.4 Å²	67.4	17%	0.168	36%	0.363	C	S	.	.			trans	-69.6	139.2	174.9	-169.9	174	-179.4	0	0	111.2	R96 N99 S100	R96-E102 IonicContact CZ-OE1 2.68Å; R96-E102 IonicContact CZ-OE2 3.17Å; R96-E102 IonicContact NH1-OE1 2.66Å; R96-E102 IonicContact NH1-OE2 3.68Å; R96-E102 PolarHBondContact NH1-OE2 2.82Å; R96-E102 VanDerWaalsContact NH2-CD 3.32Å; R96-E102 IonicContact NH2-OE1 3.78Å; R96-E102 PolarHBondContact NH2-OE1 2.9Å; R96-E102 IonicContact NH2-OE2 2.74Å; R96-E102 PolarHBondContact NH2-OE2 2.66Å; R96-E102 VanDerWaalsContact NH2-OE2 3.17Å; N99-E102 HydrophobicContact CB-CB 4.34Å; N99-E102 PolarHBondContact N-OE2 2.86Å; N99-E102 WeakPolarHBondContact O-CB 3.45Å; N99-E102 PolarHBondContact O-N 3.16Å; S100-E102 PolarHBondContact O-N 3.19Å
103	R	81.3	Confident	83.9	Confident	128 Å²	128	63.9 Å²	63.9	48%	0.483	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.5	174	-73.1	-167.7	-59	146.8	1.2	110.4	M114 V235	R103-M114 HydrophobicContact CB-CE 3.6Å; R103-V235 WeakPolarHBondContact CA-O 3.49Å
104	T	82.7	Confident	83.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.4	175.1	73.5	0	0	0	0	110.5	F89 F98 S234 V235 I237	F89-T104 HydrophobicContact CE1-CG2 4.19Å; F89-T104 HydrophobicContact CZ-CG2 4.38Å; F98-T104 HydrophobicContact CB-CG2 4.13Å; F98-T104 HydrophobicContact CD1-CG2 3.29Å; F98-T104 HydrophobicContact CD2-CG2 4.29Å; F98-T104 HydrophobicContact CE1-CG2 3.54Å; F98-T104 HydrophobicContact CE2-CG2 4.49Å; F98-T104 HydrophobicContact CG-CG2 3.66Å; F98-T104 HydrophobicContact CZ-CG2 4.14Å; T104-S234 WeakPolarHBondContact O-CA 3.41Å; T104-V235 PolarHBondContact N-O 3.24Å; T104-V235 PolarHBondContact O-N 3.25Å; T104-I237 HydrophobicContact CG2-CD1 4.18Å; T104-I237 HydrophobicContact CG2-CG1 4.49Å
105	T	84.4	Confident	83.5	Confident	16 Å²	16	63.3 Å²	63.3	10%	0.098	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.7	169.8	66.8	0	0	0	0	110.3	Y112 S117	T105-Y112 PolarHBondContact N-O 2.97Å; T105-Y112 VanDerWaalsContact N-O 3.16Å; T105-Y112 PolarHBondContact O-N 2.99Å; T105-S117 WeakPolarHBondContact OG1-CB 3.29Å
106	I	85.6	Confident	83.5	Confident	43 Å²	43	54.7 Å²	54.7	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.9	-176.5	-54.2	173.7	0	0	0	108	V79 L80 S110 Y111 V235	V79-I106 HydrophobicContact CG1-CD1 3.62Å; L80-I106 HydrophobicContact CD1-CD1 3.55Å; L80-I106 HydrophobicContact CD1-CG2 4.47Å; L80-I106 HydrophobicContact CG-CD1 3.89Å; I106-S110 WeakPolarHBondContact CA-O 3.11Å; I106-Y111 HydrophobicContact CD1-CD1 4.21Å; I106-Y111 HydrophobicContact CD1-CE1 3.87Å; I106-Y111 HydrophobicContact CG1-CD1 3.83Å; I106-Y111 HydrophobicContact CG1-CE1 3.93Å; I106-Y111 HydrophobicContact CG2-CE1 4.23Å; I106-V235 HydrophobicContact CD1-CG2 3.91Å
107	V	86.3	Confident	83.4	Confident	60 Å²	60	50.5 Å²	50.5	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.8	175.4	-169.1	0	0	0	0	107.6	G109 S110 Y112	V107-G109 PolarHBondContact O-N 2.96Å; V107-G109 VanDerWaalsContact O-N 3.16Å; V107-S110 PolarHBondContact N-O 2.67Å; V107-S110 WeakPolarHBondContact O-CA 3.5Å; V107-S110 PolarHBondContact O-N 3.33Å; V107-S110 PolarHBondContact O-OG 3.06Å; V107-Y112 HydrophobicContact CB-CD2 4.37Å; V107-Y112 HydrophobicContact CB-CE2 3.89Å; V107-Y112 HydrophobicContact CG2-CD2 4.19Å; V107-Y112 HydrophobicContact CG2-CE2 4.16Å
108	D	79.6	Confident	83	Confident	164 Å²	164	48.7 Å²	48.7	88%	0.877	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	41.4	179.8	-53.6	-31.5	0	0	0	114.5	S110	D108-S110 PolarHBondContact O-N 2.97Å
109	G	79.9	Confident	82.4	Confident	46 Å²	46	53.3 Å²	53.3	47%	0.474	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	6.2	-179.4	0	0	0	0	0	115.1	V107 Y111	V107-G109 PolarHBondContact O-N 2.96Å; V107-G109 VanDerWaalsContact O-N 3.16Å; G109-Y111 VanDerWaalsContact O-CE2 3.31Å; G109-Y111 WeakPolarHBondContact O-CE2 3.45Å
110	S	85.5	Confident	81.8	Confident	30 Å²	30	51.8 Å²	51.8	21%	0.21	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.9	177.4	74.9	0	0	0	0	111.8	I106 V107 D108 Y112	I106-S110 WeakPolarHBondContact CA-O 3.11Å; V107-S110 PolarHBondContact N-O 2.67Å; V107-S110 WeakPolarHBondContact O-CA 3.5Å; V107-S110 PolarHBondContact O-N 3.33Å; V107-S110 PolarHBondContact O-OG 3.06Å; D108-S110 PolarHBondContact O-N 2.97Å; S110-Y112 WeakPolarHBondContact OG-CE2 3.47Å; S110-Y112 PolarHBondContact OG-OH 3.35Å
111	Y	88	Confident	81.2	Confident	22 Å²	22	52.2 Å²	52.2	9%	0.086	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.8	-162.7	-55.6	-84.3	0	0	0	111.8	V79 F84 F89 C91 T92 I106 G109	V79-Y111 HydrophobicContact CB-CE1 4.42Å; V79-Y111 HydrophobicContact CG1-CE1 3.84Å; F84-Y111 HydrophobicContact CE1-CE2 4.09Å; F84-Y111 HydrophobicContact CE2-CE2 4.35Å; F84-Y111 AromaticContact CZ-CE2 3.61Å; F84-Y111 HydrophobicContact CZ-CE2 3.61Å; F84-Y111 AromaticContact CZ-CZ 3.66Å; F84-Y111 WeakPolarHBondContact CZ-OH 3.38Å; F89-Y111 AromaticContact CE2-CD1 3.49Å; F89-Y111 HydrophobicContact CE2-CD1 3.49Å; F89-Y111 VanDerWaalsContact CE2-CD1 3.49Å; F89-Y111 HydrophobicContact CE2-CD2 4.24Å; F89-Y111 AromaticContact CE2-CE1 3.83Å; F89-Y111 HydrophobicContact CE2-CE1 3.83Å; F89-Y111 AromaticContact CE2-CG 3.75Å; F89-Y111 HydrophobicContact CE2-CG 3.75Å; F89-Y111 AromaticContact CZ-CD1 3.92Å; F89-Y111 HydrophobicContact CZ-CD1 3.92Å; F89-Y111 HydrophobicContact CZ-CE1 4.47Å; F89-Y111 HydrophobicContact CZ-CG 4.35Å; C91-Y111 CarbonylContact C-O 3.55Å; C91-Y111 VanDerWaalsContact CA-O 3.29Å; C91-Y111 WeakPolarHBondContact CA-O 3.46Å; T92-Y111 PolarHBondContact N-O 2.99Å; T92-Y111 PolarHBondContact OG1-N 2.86Å; T92-Y111 PolarHBondContact OG1-O 3.43Å; I106-Y111 HydrophobicContact CD1-CD1 4.21Å; I106-Y111 HydrophobicContact CD1-CE1 3.87Å; I106-Y111 HydrophobicContact CG1-CD1 3.83Å; I106-Y111 HydrophobicContact CG1-CE1 3.93Å; I106-Y111 HydrophobicContact CG2-CE1 4.23Å; G109-Y111 VanDerWaalsContact O-CE2 3.31Å; G109-Y111 WeakPolarHBondContact O-CE2 3.45Å
112	Y	89.8	Confident	80.5	Confident	32 Å²	32	57 Å²	57	13%	0.125	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.1	-175.7	-60.2	-88.7	0	0	0	112.7	T93 T105 V107 S110 C116 L120	T93-Y112 WeakPolarHBondContact OG1-CD1 3.43Å; T93-Y112 WeakPolarHBondContact OG1-CE1 3.25Å; T105-Y112 PolarHBondContact N-O 2.97Å; T105-Y112 VanDerWaalsContact N-O 3.16Å; T105-Y112 PolarHBondContact O-N 2.99Å; V107-Y112 HydrophobicContact CB-CD2 4.37Å; V107-Y112 HydrophobicContact CB-CE2 3.89Å; V107-Y112 HydrophobicContact CG2-CD2 4.19Å; V107-Y112 HydrophobicContact CG2-CE2 4.16Å; S110-Y112 WeakPolarHBondContact OG-CE2 3.47Å; S110-Y112 PolarHBondContact OG-OH 3.35Å; Y112-C116 HydrophobicContact CD1-CB 4.44Å; Y112-L120 HydrophobicContact CD1-CD1 3.78Å; Y112-L120 HydrophobicContact CD1-CD2 3.99Å; Y112-L120 HydrophobicContact CD2-CD2 4.24Å; Y112-L120 HydrophobicContact CE1-CD1 3.73Å; Y112-L120 HydrophobicContact CE1-CD2 3.61Å; Y112-L120 HydrophobicContact CE1-CG 4.35Å; Y112-L120 HydrophobicContact CE2-CD2 3.88Å; Y112-L120 HydrophobicContact CG-CD2 4.29Å
113	C	89.3	Confident	79	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.02	33%	0.331	C	S	.	.			trans	-70.8	158.9	171.2	88.6	0	0	0	0	111.1	C91 F98 S115 C116 S117	C91-C113 HydrophobicContact CB-CB 4.08Å; C91-C113 PolarHBondContact SG-N 3.47Å; F98-C113 HydrophobicContact CE1-CB 4.23Å; C113-S115 VanDerWaalsContact C-N 3.29Å; C113-S115 PolarHBondContact O-N 2.9Å; C113-C116 HydrophobicContact CB-CB 4.02Å; C113-C116 WeakPolarHBondContact CB-SG 3.32Å; C113-C116 CarbonylContact O-C 3.53Å; C113-C116 WeakPolarHBondContact O-CA 3.4Å; C113-C116 VanDerWaalsContact O-CB 3.22Å; C113-C116 WeakPolarHBondContact O-CB 3.4Å; C113-C116 PolarHBondContact O-N 3.28Å; C113-C116 WeakPolarHBondContact SG-CB 3.27Å; C113-C116 PolarHBondContact SG-N 3.05Å; C113-C116 CovalentContact SG-SG 2.06Å; C113-C116 PolarHBondContact SG-SG 2.96Å; C113-S117 PolarHBondContact O-N 3.45Å; C113-S117 PolarHBondContact O-OG 3.04Å
114	M	84.7	Confident	77.4	Confident	61 Å²	61	59.8 Å²	59.8	30%	0.3	35%	0.354	S	S	.	.	H	α-helix	trans	-56.1	-41	179	-177.8	54.8	48.4	0	0	113.1	R103 C116 S117 S118	R103-M114 HydrophobicContact CB-CE 3.6Å; M114-C116 PolarHBondContact O-N 3.26Å; M114-S117 PolarHBondContact O-OG 2.92Å; M114-S118 PolarHBondContact O-N 2.91Å; M114-S118 PolarHBondContact O-OG 2.67Å
115	S	84.4	Confident	75.6	Confident	82 Å²	82	65.8 Å²	65.8	57%	0.573	39%	0.39	S	S	*	.	H	α-helix	trans	-74.6	-6.5	175.3	-41	0	0	0	0	114.1	C113 S118 N119	C113-S115 VanDerWaalsContact C-N 3.29Å; C113-S115 PolarHBondContact O-N 2.9Å; S115-S118 VanDerWaalsContact C-OG 3.32Å; S115-S118 PolarHBondContact O-OG 3.18Å; S115-N119 PolarHBondContact O-ND2 2.98Å; S115-N119 PolarHBondContact O-OD1 2.93Å
116	C	86.6	Confident	73.6	Confident	8 Å²	8	72.2 Å²	72.2	5%	0.054	42%	0.423	C	S	.	.	H	α-helix	trans	-103.4	-41.8	-177.5	-52.5	0	0	0	0	109.4	C91 C94 Y112 C113 M114 S118 N119 L120	C91-C116 PolarHBondContact SG-SG 3.19Å; C94-C116 PolarHBondContact SG-SG 2.94Å; Y112-C116 HydrophobicContact CD1-CB 4.44Å; C113-C116 HydrophobicContact CB-CB 4.02Å; C113-C116 WeakPolarHBondContact CB-SG 3.32Å; C113-C116 CarbonylContact O-C 3.53Å; C113-C116 WeakPolarHBondContact O-CA 3.4Å; C113-C116 VanDerWaalsContact O-CB 3.22Å; C113-C116 WeakPolarHBondContact O-CB 3.4Å; C113-C116 PolarHBondContact O-N 3.28Å; C113-C116 WeakPolarHBondContact SG-CB 3.27Å; C113-C116 PolarHBondContact SG-N 3.05Å; C113-C116 CovalentContact SG-SG 2.06Å; C113-C116 PolarHBondContact SG-SG 2.96Å; M114-C116 PolarHBondContact O-N 3.26Å; C116-S118 VanDerWaalsContact C-N 3.33Å; C116-N119 WeakPolarHBondContact O-CB 3.19Å; C116-N119 PolarHBondContact O-N 2.79Å; C116-L120 VanDerWaalsContact O-CD1 3.3Å; C116-L120 WeakPolarHBondContact O-CD1 3.41Å; C116-L120 PolarHBondContact O-N 3.42Å
117	S	84.5	Confident	71.5	Confident	9 Å²	9	77.8 Å²	77.8	6%	0.063	45%	0.448	C	S	.	.	H	α-helix	trans	-61.8	-40.6	173.8	64	0	0	0	0	111.4	T105 C113 M114 N119 L120 T121	T105-S117 WeakPolarHBondContact OG1-CB 3.29Å; C113-S117 PolarHBondContact O-N 3.45Å; C113-S117 PolarHBondContact O-OG 3.04Å; M114-S117 PolarHBondContact O-OG 2.92Å; S117-N119 PolarHBondContact O-N 3.16Å; S117-N119 VanDerWaalsContact O-N 3.11Å; S117-L120 PolarHBondContact O-N 3.15Å; S117-L120 VanDerWaalsContact O-N 3.07Å; S117-T121 WeakPolarHBondContact O-CG2 3.37Å; S117-T121 PolarHBondContact O-N 3.22Å; S117-T121 PolarHBondContact O-OG1 3.18Å
118	S	77	Confident	69.3	Low	48 Å²	48	84.7 Å²	84.7	34%	0.336	47%	0.473	S	S	.	.	H	α-helix	trans	-58.6	-21.6	172.6	60.1	0	0	0	0	114.1	M114 S115 C116 T121 N122	M114-S118 PolarHBondContact O-N 2.91Å; M114-S118 PolarHBondContact O-OG 2.67Å; S115-S118 VanDerWaalsContact C-OG 3.32Å; S115-S118 PolarHBondContact O-OG 3.18Å; C116-S118 VanDerWaalsContact C-N 3.33Å; S118-T121 PolarHBondContact O-OG1 3Å; S118-N122 PolarHBondContact O-ND2 2.86Å
119	N	74	Confident	67.4	Low	117 Å²	117	81.9 Å²	81.9	63%	0.626	46%	0.462	S	S	*	.	H	α-helix	trans	-93	-25.7	178.3	-61.4	-0.9	0	0	0	111.5	S115 C116 S117	S115-N119 PolarHBondContact O-ND2 2.98Å; S115-N119 PolarHBondContact O-OD1 2.93Å; C116-N119 WeakPolarHBondContact O-CB 3.19Å; C116-N119 PolarHBondContact O-N 2.79Å; S117-N119 PolarHBondContact O-N 3.16Å; S117-N119 VanDerWaalsContact O-N 3.11Å
120	L	67.2	Low	65.3	Low	75 Å²	75	87 Å²	87	39%	0.393	48%	0.484	S	S	.	.	H	α-helix	trans	-72	-37.7	170.1	-89.9	74	0	0	0	111.6	Y112 C116 S117 N122	Y112-L120 HydrophobicContact CD1-CD1 3.78Å; Y112-L120 HydrophobicContact CD1-CD2 3.99Å; Y112-L120 HydrophobicContact CD2-CD2 4.24Å; Y112-L120 HydrophobicContact CE1-CD1 3.73Å; Y112-L120 HydrophobicContact CE1-CD2 3.61Å; Y112-L120 HydrophobicContact CE1-CG 4.35Å; Y112-L120 HydrophobicContact CE2-CD2 3.88Å; Y112-L120 HydrophobicContact CG-CD2 4.29Å; C116-L120 VanDerWaalsContact O-CD1 3.3Å; C116-L120 WeakPolarHBondContact O-CD1 3.41Å; C116-L120 PolarHBondContact O-N 3.42Å; S117-L120 PolarHBondContact O-N 3.15Å; S117-L120 VanDerWaalsContact O-N 3.07Å; L120-N122 PolarHBondContact O-N 3.15Å; L120-N122 VanDerWaalsContact O-N 3.09Å
121	T	62.7	Low	62.7	Low	81 Å²	81	88.5 Å²	88.5	50%	0.497	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	1.7	-178.7	56.6	0	0	0	0	114.9	S117 S118	S117-T121 WeakPolarHBondContact O-CG2 3.37Å; S117-T121 PolarHBondContact O-N 3.22Å; S117-T121 PolarHBondContact O-OG1 3.18Å; S118-T121 PolarHBondContact O-OG1 3Å
122	N	57.8	Low	60.3	Low	137 Å²	137	92.5 Å²	92.5	73%	0.733	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	17.2	-170.4	-79	-67.2	0	0	0	113.9	S118 L120	S118-N122 PolarHBondContact O-ND2 2.86Å; L120-N122 PolarHBondContact O-N 3.15Å; L120-N122 VanDerWaalsContact O-N 3.09Å
123	G	47.9	Very low	57.6	Low	41 Å²	41	97.7 Å²	97.7	42%	0.423	57%	0.565	S	S	.	*			trans	-171.2	90.4	179.2	0	0	0	0	0	116.6	V125	G123-V125 PolarHBondContact O-N 3.07Å
124	D	46.7	Very low	55	Low	181 Å²	181	104.1 Å²	104.1	97%	0.968	60%	0.599	S	S	*	*			trans	-68.8	62	154.1	-72.2	-56.3	0	0	0	110.4
125	V	45.8	Very low	52.9	Low	125 Å²	125	111 Å²	111	76%	0.758	62%	0.622	S	S	*	*			trans	-132	111.1	-175.4	-176.9	0	0	0	0	111.5	G123	G123-V125 PolarHBondContact O-N 3.07Å
126	L	42.1	Very low	50.6	Low	151 Å²	151	114.6 Å²	114.6	79%	0.791	64%	0.635	S	S	*	*			trans	77.5	94.4	161.4	-144.5	73.3	0	0	0	118.1	K128	L126-K128 PolarHBondContact O-N 3.02Å
127	H	42	Very low	48.3	Very low	160 Å²	160	118.1 Å²	118.1	74%	0.741	67%	0.672	S	S	*	*			trans	-30	123.8	143	-77.1	-142.3	0	0	0	113.1	T129	H127-T129 HydrophobicContact CB-CG2 4.23Å; H127-T129 WeakPolarHBondContact ND1-CG2 3.5Å
128	K	40.1	Very low	46.1	Very low	205 Å²	205	124 Å²	124	89%	0.891	71%	0.713	S	S	*	*			trans	-115	84.3	140.5	-91	-169.2	172	-177.6	0	109.3	L126	L126-K128 PolarHBondContact O-N 3.02Å
129	T	39.2	Very low	44.3	Very low	105 Å²	105	126.6 Å²	126.6	64%	0.644	74%	0.737	S	S	*	*			trans	-56.1	143.5	175.4	40.5	0	0	0	0	112	H127 G131	H127-T129 HydrophobicContact CB-CG2 4.23Å; H127-T129 WeakPolarHBondContact ND1-CG2 3.5Å; T129-G131 PolarHBondContact O-N 3.06Å
130	V	35.2	Very low	42.4	Very low	155 Å²	155	125.7 Å²	125.7	94%	0.939	75%	0.747	S	S	*	*			trans	-55.7	125	156.1	177.2	0	0	0	0	108.2
131	G	31.1	Very low	40.9	Very low	60 Å²	60	127.1 Å²	127.1	62%	0.619	77%	0.769	S	S	*	*			trans	171.2	112.4	178.5	0	0	0	0	0	115.5	T129	T129-G131 PolarHBondContact O-N 3.06Å
132	S	38.7	Very low	39.8	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	78%	0.78	S	S	*	*			trans	50.9	102.7	142.4	-55.3	0	0	0	0	121.3
133	N	33.1	Very low	38.8	Very low	142 Å²	142	126.7 Å²	126.7	76%	0.759	78%	0.78	S	S	*	*				57.6	123.9	117.8	-53.1	-16.8	0	0	0	121.8
134	N	35.2	Very low	38.6	Very low	138 Å²	138	130.6 Å²	130.6	74%	0.738	80%	0.796	S	S	*	*			trans	80.2	134.1	136.4	-78.8	-24.5	0	0	0	122.4
135	R	38.9	Very low	38.3	Very low	206 Å²	206	127.6 Å²	127.6	78%	0.777	78%	0.784	S	S	*	*			trans	81.2	108.9	149.4	-66.1	164.6	-173.4	178.8	1.3	120
136	D	37.6	Very low	37.9	Very low	157 Å²	157	129.1 Å²	129.1	84%	0.84	79%	0.788	S	S	*	*				48.3	129.5	114.8	-38	-32	0	0	0	120.3
137	G	37.5	Very low	37.6	Very low	81 Å²	81	124.7 Å²	124.7	84%	0.835	78%	0.778	S	S	*	*			trans	154.1	104.3	160.3	0	0	0	0	0	115.4
138	S	38	Very low	37.9	Very low	133 Å²	133	122 Å²	122	93%	0.93	78%	0.777	S	S	*	*			trans	-73.7	141.5	173.3	-54.6	0	0	0	0	112.7
139	A	40	Very low	37.7	Very low	102 Å²	102	120.1 Å²	120.1	84%	0.843	78%	0.777	S	S	*	*			trans	-148.1	141.3	158.6	0	0	0	0	0	109.9
140	A	34.1	Very low	37.6	Very low	99 Å²	99	118.1 Å²	118.1	82%	0.818	78%	0.778	S	S	*	*			trans	-146.9	150.8	-173.7	0	0	0	0	0	113
141	A	35.4	Very low	37.5	Very low	104 Å²	104	117.4 Å²	117.4	86%	0.86	77%	0.774	S	S	*	*			trans	63.2	166.5	176.6	0	0	0	0	0	114.4
142	A	38.7	Very low	37.4	Very low	88 Å²	88	119.6 Å²	119.6	73%	0.727	78%	0.778	S	S	*	*			cis	-158.1	166.9	8	0	0	0	0	0	107.1
143	T	37.9	Very low	36.9	Very low	122 Å²	122	119.4 Å²	119.4	75%	0.748	78%	0.777	S	S	*	*			cis	170.2	147.5	-0.5	-105.2	0	0	0	0	109.4
144	V	42.7	Very low	37	Very low	123 Å²	123	119.1 Å²	119.1	75%	0.745	78%	0.781	S	S	*	*			trans	40.2	132.1	150.9	171.7	0	0	0	0	120.8
145	T	40.3	Very low	36.7	Very low	117 Å²	117	117.5 Å²	117.5	72%	0.718	78%	0.78	S	S	*	*			cis	-147.7	-120.2	-21.7	35.4	0	0	0	0	108.4
146	N	39	Very low	36.3	Very low	158 Å²	158	113.1 Å²	113.1	85%	0.845	78%	0.781	S	S	*	*			cis	-159.4	162.9	-3	-159	-9.6	0	0	0	110.2
147	G	35.1	Very low	36.2	Very low	57 Å²	57	111 Å²	111	59%	0.588	78%	0.778	S	S	*	*			trans	144.7	64.4	169.2	0	0	0	0	0	119.4
148	S	47.4	Very low	36.1	Very low	103 Å²	103	112.5 Å²	112.5	72%	0.72	77%	0.773	S	S	*	*			trans	62.3	138.8	158.5	62.2	0	0	0	0	121.4
149	N	37.8	Very low	35.7	Very low	166 Å²	166	110.9 Å²	110.9	89%	0.888	76%	0.762	S	S	*	*			trans	62.1	113	165.6	-53.5	-11.9	0	0	0	116.9
150	G	36.5	Very low	35.1	Very low	64 Å²	64	110.7 Å²	110.7	66%	0.66	76%	0.755	S	S	*	*			cis	151.6	58.3	2.7	0	0	0	0	0	111.5
151	V	32.8	Very low	35.1	Very low	140 Å²	140	113.8 Å²	113.8	85%	0.848	76%	0.757	S	S	*	*				38.5	140.5	76.5	-66	0	0	0	0	115.8
152	C	28.4	Very low	35	Very low	105 Å²	105	114 Å²	114	71%	0.709	75%	0.752	S	S	*	*			cis	-172.6	-151.6	-17.5	59.4	0	0	0	0	108.3
153	S	29.3	Very low	35	Very low	102 Å²	102	115.2 Å²	115.2	71%	0.713	75%	0.753	S	S	*	*			trans	77.4	157.1	167.3	-56	0	0	0	0	115.3
154	T	34.9	Very low	34.8	Very low	137 Å²	137	114.8 Å²	114.8	84%	0.84	76%	0.755	S	S	*	*			cis	-123.5	140.2	16	50.3	0	0	0	0	115.4
155	S	29	Very low	34.5	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	75%	0.75	S	S	*	*			trans	-94.7	-164.1	165.6	55	0	0	0	0	111.8
156	S	30.5	Very low	34.4	Very low	113 Å²	113	116.9 Å²	116.9	79%	0.79	76%	0.755	S	S	*	*			trans	85.9	125	160.7	70	0	0	0	0	119.8
157	S	34.9	Very low	34.2	Very low	113 Å²	113	113.7 Å²	113.7	79%	0.79	75%	0.746	S	S	*	*			trans	-69.9	166.4	157.7	-30.7	0	0	0	0	110.7
158	P	36.4	Very low	34.4	Very low	113 Å²	113	117.2 Å²	117.2	73%	0.734	75%	0.751	S	S	*	*				-149	171.4	116.9	38.9	-23.8	0	0	0	116.3
159	S	28.2	Very low	34	Very low	98 Å²	98	119.1 Å²	119.1	69%	0.685	75%	0.749	S	S	*	*			trans	47.3	114.6	144	62.6	0	0	0	0	121.4
160	S	29	Very low	33.7	Very low	99 Å²	99	119 Å²	119	69%	0.692	74%	0.741	S	S	*	*				-3.3	133.1	128.9	54.6	0	0	0	0	118.6
161	N	32.9	Very low	33.6	Very low	164 Å²	164	123 Å²	123	88%	0.877	75%	0.747	S	S	*	*				-161.1	139.6	127.9	-101	-31.3	0	0	0	114.4
162	S	32.8	Very low	33.8	Very low	108 Å²	108	121.6 Å²	121.6	76%	0.755	74%	0.74	S	S	*	*			trans	-42.9	163.1	163.9	-60	0	0	0	0	114.7
163	P	38.8	Very low	33.8	Very low	114 Å²	114	123.9 Å²	123.9	74%	0.74	75%	0.745	S	S	*	*			cis	-154	173.7	48.1	43.8	-22.9	0	0	0	121.1
164	S	34.8	Very low	33.8	Very low	112 Å²	112	124 Å²	124	78%	0.783	75%	0.746	S	S	*	*			trans	71.4	142.5	156	-60.1	0	0	0	0	118.8
165	S	35.5	Very low	33.5	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	74%	0.743	S	S	*	*			cis	-171.7	157.6	-15	56.6	0	0	0	0	110
166	K	38	Very low	33.4	Very low	192 Å²	192	124.1 Å²	124.1	84%	0.835	74%	0.74	S	S	*	*			trans	77.7	112	175.5	-53.4	175.6	-175.2	-179.9	0	113.6
167	S	36.2	Very low	33.4	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	74%	0.737	S	S	*	*				70.6	131	60.8	77.7	0	0	0	0	113.3
168	D	37.9	Very low	33.4	Very low	132 Å²	132	124.4 Å²	124.4	71%	0.706	74%	0.737	S	S	*	*			cis	-173.1	172.9	0.6	-106.5	-9.2	0	0	0	108.6
169	Q	39.8	Very low	33.4	Very low	143 Å²	143	122.3 Å²	122.3	67%	0.668	74%	0.736	S	S	*	*			cis	-156.8	-163.9	4.7	-130.1	168.9	63.8	0	0	112.4
170	F	32	Very low	33.9	Very low	164 Å²	164	125.1 Å²	125.1	72%	0.719	74%	0.737	S	S	*	*			trans	-31.2	139.5	173.4	-58.6	-76.9	0	0	0	121.5
171	N	33.9	Very low	34.4	Very low	148 Å²	148	128.3 Å²	128.3	79%	0.791	74%	0.741	S	S	*	*				166.3	145.7	93.3	-100	-34.3	0	0	0	115.1
172	P	36.4	Very low	34.6	Very low	109 Å²	109	124.5 Å²	124.5	71%	0.708	73%	0.728	S	S	*	*			trans	-110.1	-175.8	164.1	38.1	-28	0	0	0	113.9
173	L	29	Very low	34.9	Very low	154 Å²	154	127 Å²	127	81%	0.806	73%	0.728	S	S	*	*			trans	91.8	101.9	165	-56.8	173	0	0	0	120.8
174	S	28.5	Very low	34.8	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	73%	0.727	S	S	*	*				80.6	161.8	122.3	78.5	0	0	0	0	123
175	L	28.1	Very low	34.7	Very low	149 Å²	149	129.4 Å²	129.4	78%	0.78	73%	0.729	S	S	*	*			trans	79.8	93.6	162.4	-96.2	66.9	0	0	0	122.1
176	S	27.3	Very low	34.8	Very low	95 Å²	95	130.4 Å²	130.4	66%	0.664	73%	0.733	S	S	*	*				77.3	151.5	117.2	60.4	0	0	0	0	124.7
177	T	30.6	Very low	34.3	Very low	121 Å²	121	127 Å²	127	74%	0.742	73%	0.729	S	S	*	*			trans	81.4	96.5	151.5	27.1	0	0	0	0	122.2
178	S	34.3	Very low	34.3	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	74%	0.741	S	S	*	*				58.4	128.8	125.5	60.1	0	0	0	0	122.2
179	G	37.5	Very low	33.9	Very low	69 Å²	69	134.5 Å²	134.5	71%	0.711	74%	0.744	S	S	*	*			trans	-169.5	36.7	176.8	0	0	0	0	0	119.4
180	H	38.9	Very low	33.5	Very low	156 Å²	156	132.1 Å²	132.1	72%	0.722	74%	0.74	S	S	*	*			trans	59.6	125.2	161.1	-63.9	-94.5	0	0	0	121.7
181	Q	38.5	Very low	33.5	Very low	166 Å²	166	129.5 Å²	129.5	78%	0.776	74%	0.742	S	S	*	*				57.5	142.4	125.9	-60.5	172.4	15.7	0	0	119.4
182	S	37.1	Very low	34	Very low	85 Å²	85	127.9 Å²	127.9	59%	0.594	74%	0.739	S	S	*	*			cis	-173.4	164.3	-0.5	-90.9	0	0	0	0	106
183	Q	40.8	Very low	33.9	Very low	161 Å²	161	129.4 Å²	129.4	75%	0.752	75%	0.747	S	S	*	*			cis	-169.2	176	-12.4	-105.5	177.8	79.9	0	0	105.6
184	T	35.4	Very low	34.2	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	75%	0.745	S	S	*	*			cis	-134.9	-124.6	8.1	-30.8	0	0	0	0	110.9
185	L	33.6	Very low	34.6	Very low	158 Å²	158	131.1 Å²	131.1	83%	0.827	75%	0.753	S	S	*	*			trans	-157.4	174.5	-171	-85.3	170.4	0	0	0	109.2
186	P	38.1	Very low	34.7	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	75%	0.75	S	S	*	*			cis	-127	176.3	-2.2	23.7	-0.1	0	0	0	115.4
187	T	27.3	Very low	35.2	Very low	121 Å²	121	134.5 Å²	134.5	74%	0.742	75%	0.754	S	S	*	*			trans	-139.8	151.1	165.8	-75.7	0	0	0	0	108	R189	T187-R189 HydrophobicContact CG2-CB 4.2Å
188	I	35.8	Very low	35.5	Very low	173 Å²	173	134.7 Å²	134.7	89%	0.887	76%	0.757	S	S	*	*			trans	-118.8	129	166.9	-61.2	-179.1	0	0	0	108.7
189	R	29	Very low	35.5	Very low	207 Å²	207	135.2 Å²	135.2	78%	0.781	76%	0.755	S	S	*	*			trans	-156.5	147.1	-170.4	-154.8	-168.7	-177.9	-128.9	5.6	111	T187	T187-R189 HydrophobicContact CG2-CB 4.2Å
190	T	32	Very low	35.4	Very low	94 Å²	94	139.9 Å²	139.9	58%	0.577	76%	0.764	S	S	*	*			trans	53.7	97.4	150.9	41.8	0	0	0	0	121.1
191	S	31.3	Very low	34.9	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	76%	0.761	S	S	*	*				68	-169.5	110.5	75.8	0	0	0	0	118.8
192	P	43.9	Very low	34.9	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	77%	0.765	S	S	*	*				-136	164.6	-118.6	38.5	-16.9	0	0	0	118.2
193	T	34.5	Very low	34.6	Very low	142 Å²	142	140.2 Å²	140.2	87%	0.871	76%	0.763	S	S	*	*			trans	-160	154.4	155.8	24.5	0	0	0	0	112.4
194	P	35.9	Very low	34.3	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	77%	0.768	S	S	*	*			trans	-104.2	162.7	179.5	39.8	-34	0	0	0	114.6
195	I	36.6	Very low	34.1	Very low	176 Å²	176	139 Å²	139	90%	0.903	77%	0.765	S	S	*	*			trans	-136.3	158.5	166.2	-61.6	-177.1	0	0	0	108.8
196	H	31.4	Very low	33.9	Very low	153 Å²	153	138.7 Å²	138.7	71%	0.708	76%	0.764	S	S	*	*			trans	-124.7	-177.8	-163.4	-157.2	-100.6	0	0	0	112.5
197	H	36.9	Very low	33.7	Very low	161 Å²	161	139.4 Å²	139.4	75%	0.745	77%	0.767	S	S	*	*			trans	80.6	159.8	171.2	-44	-79.5	0	0	0	117.4
198	P	37.4	Very low	33.9	Very low	125 Å²	125	141.8 Å²	141.8	81%	0.812	77%	0.769	S	S	*	*				-135.1	-174.5	-56.2	40.4	-25.6	0	0	0	114.3
199	V	33.6	Very low	33.8	Very low	122 Å²	122	140.8 Å²	140.8	74%	0.739	77%	0.766	S	S	*	*			trans	-64.1	152.1	-177.6	177.2	0	0	0	0	114.3
200	N	35.1	Very low	33.9	Very low	168 Å²	168	138.4 Å²	138.4	90%	0.898	76%	0.763	S	S	*	*			trans	-138.2	144.1	144.8	-105.3	-22.2	0	0	0	110.7
201	H	29.5	Very low	33.9	Very low	141 Å²	141	140.7 Å²	140.7	65%	0.653	77%	0.772	S	S	*	*			trans	-107.5	137.4	-179.3	-135.3	-94.7	0	0	0	108.8	D203	H201-D203 IonicContact CE1-OD1 3.46Å; H201-D203 PolarHBondContact CE1-OD1 3.02Å; H201-D203 IonicContact CE1-OD2 3.34Å; H201-D203 PolarHBondContact CE1-OD2 3.08Å; H201-D203 IonicContact CG-OD2 3.96Å; H201-D203 IonicContact ND1-OD1 3.6Å; H201-D203 IonicContact ND1-OD2 2.74Å; H201-D203 PolarHBondContact ND1-OD2 3.07Å
202	I	37.1	Very low	33.9	Very low	167 Å²	167	142.6 Å²	142.6	86%	0.856	77%	0.769	S	S	*	*			trans	-142.1	118.5	156.6	-58.7	-176.9	0	0	0	107
203	D	30.7	Very low	33.4	Very low	106 Å²	106	144.3 Å²	144.3	57%	0.567	76%	0.761	S	S	*	*			trans	-94.1	150.5	169.8	-54.2	-94.1	0	0	0	109.1	H201	H201-D203 IonicContact CE1-OD1 3.46Å; H201-D203 PolarHBondContact CE1-OD1 3.02Å; H201-D203 IonicContact CE1-OD2 3.34Å; H201-D203 PolarHBondContact CE1-OD2 3.08Å; H201-D203 IonicContact CG-OD2 3.96Å; H201-D203 IonicContact ND1-OD1 3.6Å; H201-D203 IonicContact ND1-OD2 2.74Å; H201-D203 PolarHBondContact ND1-OD2 3.07Å
204	D	35.8	Very low	33.5	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	75%	0.751	S	S	*	*				173.9	121	126.7	-92.4	-25.5	0	0	0	114
205	S	30.4	Very low	33.4	Very low	94 Å²	94	145.6 Å²	145.6	66%	0.657	75%	0.747	S	S	*	*			trans	22.8	144.3	149.8	71.6	0	0	0	0	124.2
206	N	28.7	Very low	33.1	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	72%	0.723	S	S	*	*			trans	71.1	146.9	150.6	-80	-36.7	0	0	0	118.1
207	T	35.1	Very low	33.1	Very low	128 Å²	128	140.2 Å²	140.2	79%	0.785	73%	0.725	S	S	*	*			cis	-130	177.8	5.1	42.3	0	0	0	0	113.2
208	Q	31.6	Very low	32.9	Very low	170 Å²	170	137.2 Å²	137.2	79%	0.794	71%	0.713	S	S	*	*			trans	-74	145.5	-178.3	-55.5	146.8	-29.1	0	0	113.9
209	N	32.8	Very low	32.5	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	71%	0.71	S	S	*	*				-167	165.2	109.6	-112.6	-66.7	0	0	0	115.6
210	H	31.4	Very low	32.6	Very low	158 Å²	158	137.7 Å²	137.7	73%	0.731	71%	0.713	S	S	*	*			trans	-84.7	157.4	-172.8	-73.7	-105.9	0	0	0	114.4
211	N	32.2	Very low	32.4	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	71%	0.709	S	S	*	*				-178.7	143.7	106.4	-93.2	-40.7	0	0	0	115.6
212	H	32.1	Very low	32.5	Very low	148 Å²	148	134.9 Å²	134.9	69%	0.685	72%	0.717	S	S	*	*			trans	60.2	151.1	168.6	-76.6	-73.1	0	0	0	118.9
213	Y	32.7	Very low	32.2	Very low	149 Å²	149	134.9 Å²	134.9	58%	0.584	72%	0.717	S	S	*	*			cis	-138	144.8	9.8	-153.5	-93.3	0	0	0	111.8	N804	Y213-N804 WeakPolarHBondContact CE1-ND2 3.35Å; Y213-N804 PolarHBondContact OH-ND2 2.6Å; Y213-N804 PolarHBondContact OH-OD1 3.16Å
214	Q	35.7	Very low	32.4	Very low	139 Å²	139	138.9 Å²	138.9	65%	0.65	73%	0.73	S	S	*	*			trans	-77.4	141.2	-179.5	-81.3	163.4	-44.7	0	0	111.7
215	Q	34	Very low	32.1	Very low	149 Å²	149	136.3 Å²	136.3	70%	0.696	72%	0.724	S	S	*	*				56.5	133.3	73.4	-74	-178.4	-24	0	0	115
216	N	32	Very low	31.9	Very low	74 Å²	74	141.6 Å²	141.6	40%	0.396	74%	0.736	S	S	.	*				-146.8	131.1	115.5	-99.8	1.4	0	0	0	108.4	F807	N216-F807 HydrophobicContact CB-CD2 4.29Å; N216-F807 HydrophobicContact CB-CE2 3.75Å
217	L	29.6	Very low	32	Very low	141 Å²	141	139.9 Å²	139.9	74%	0.738	73%	0.733	S	S	*	*			trans	-110	149.1	163.9	-76.1	151.8	0	0	0	106.3
218	I	32.9	Very low	31.5	Very low	99 Å²	99	139.1 Å²	139.1	51%	0.508	73%	0.733	S	S	.	*			trans	-104.6	125.4	156.7	-58.6	-167	0	0	0	107	F807 I808	I218-F807 HydrophobicContact CD1-CB 4.04Å; I218-F807 HydrophobicContact CD1-CD2 3.81Å; I218-F807 HydrophobicContact CD1-CG 4.16Å; I218-F807 HydrophobicContact CG1-CD2 3.64Å; I218-F807 HydrophobicContact CG1-CE2 3.94Å; I218-F807 HydrophobicContact CG1-CG 4.43Å; I218-I808 HydrophobicContact CD1-CD1 3.78Å; I218-I808 HydrophobicContact CG1-CD1 4.4Å
219	S	30	Very low	31.6	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	73%	0.729	S	S	*	*			trans	-132.9	80.1	-177.5	59.9	0	0	0	0	109.5	A221	S219-A221 PolarHBondContact O-N 2.91Å
220	D	35.2	Very low	31.3	Very low	149 Å²	149	138 Å²	138	80%	0.797	73%	0.732	S	S	*	*			trans	-84.6	104.5	172.6	-82.7	-55.7	0	0	0	110.6	N222	D220-N222 PolarHBondContact O-N 2.98Å
221	A	32.1	Very low	31.4	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	73%	0.729	S	S	*	*			trans	-76.6	117.1	171.2	0	0	0	0	0	109.8	S219	S219-A221 PolarHBondContact O-N 2.91Å
222	N	31.7	Very low	31.6	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	73%	0.725	S	S	*	*			trans	-130.1	109.4	167.3	-137.1	-51.4	0	0	0	111	D220 K224	D220-N222 PolarHBondContact O-N 2.98Å; N222-K224 PolarHBondContact O-N 2.73Å
223	L	29.7	Very low	32.1	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	73%	0.728	S	S	*	*			trans	-76.8	115.4	-170.3	-72.5	161.4	0	0	0	111.3
224	K	34.4	Very low	32.5	Very low	190 Å²	190	131.8 Å²	131.8	83%	0.826	72%	0.718	S	S	*	*			trans	-127.7	82.5	161.3	-75	-171	176.7	176.6	0	111.7	N222	N222-K224 PolarHBondContact O-N 2.73Å
225	S	30.2	Very low	33.1	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	70%	0.7	S	S	*	*			trans	37	100.9	146.3	58.3	0	0	0	0	117.8	P227	S225-P227 WeakPolarHBondContact O-CD 3.38Å
226	F	25.6	Very low	33.5	Very low	205 Å²	205	125.9 Å²	125.9	90%	0.899	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.9	160.6	-64.1	-89.3	0	0	0	111.1
227	P	30.8	Very low	34.3	Very low	116 Å²	116	124 Å²	124	75%	0.753	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-78	125.1	147.8	31.6	-27.7	0	0	0	108.5	S225 L229	S225-P227 WeakPolarHBondContact O-CD 3.38Å; P227-L229 PolarHBondContact O-N 2.9Å
228	S	26	Very low	34.6	Very low	112 Å²	112	123 Å²	123	78%	0.783	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-78.4	116.6	174.5	-178.2	0	0	0	0	110
229	L	32.3	Very low	34.6	Very low	136 Å²	136	125.9 Å²	125.9	71%	0.712	69%	0.685	S	S	*	*			trans	-141.8	133.1	167.1	-79.6	179.9	0	0	0	111	P227 D231	P227-L229 PolarHBondContact O-N 2.9Å; L229-D231 PolarHBondContact O-N 3.48Å
230	N	27.8	Very low	34.9	Very low	163 Å²	163	126.3 Å²	126.3	87%	0.872	68%	0.679	S	S	*	*			trans	-85.6	76	176.6	-68.2	-28.2	0	0	0	110.1
231	D	31.9	Very low	34.8	Very low	125 Å²	125	122.8 Å²	122.8	67%	0.668	68%	0.678	S	S	*	*			trans	-106.4	132.2	-178.5	-86	-57.1	0	0	0	113.7	L229 L233	L229-D231 PolarHBondContact O-N 3.48Å; D231-L233 PolarHBondContact O-N 3.32Å; D231-L233 VanDerWaalsContact O-N 3.1Å
232	Q	37.2	Very low	34.7	Very low	145 Å²	145	122.2 Å²	122.2	68%	0.678	67%	0.667	S	S	*	*			trans	-79	94.8	-172.2	-62.4	177	11.3	0	0	111.2	S234	Q232-S234 PolarHBondContact O-N 3.2Å
233	L	43	Very low	34.7	Very low	144 Å²	144	120.3 Å²	120.3	75%	0.754	67%	0.666	S	S	*	*			trans	-64.7	93	175.8	-73	173.5	0	0	0	111.9	D231 V235	D231-L233 PolarHBondContact O-N 3.32Å; D231-L233 VanDerWaalsContact O-N 3.1Å; L233-V235 PolarHBondContact O-N 3.33Å
234	S	40.7	Very low	34.9	Very low	52 Å²	52	115.8 Å²	115.8	36%	0.364	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.6	103	171.4	66.5	0	0	0	0	110.9	T104 Q232	T104-S234 WeakPolarHBondContact O-CA 3.41Å; Q232-S234 PolarHBondContact O-N 3.2Å
235	V	48.8	Very low	34.8	Very low	45 Å²	45	113 Å²	113	27%	0.273	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.5	126.8	171.9	-178.5	0	0	0	0	108.8	R103 T104 I106 L233	R103-V235 WeakPolarHBondContact CA-O 3.49Å; T104-V235 PolarHBondContact N-O 3.24Å; T104-V235 PolarHBondContact O-N 3.25Å; I106-V235 HydrophobicContact CD1-CG2 3.91Å; L233-V235 PolarHBondContact O-N 3.33Å
236	Q	41.6	Very low	34.9	Very low	120 Å²	120	109.9 Å²	109.9	56%	0.561	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.9	119.4	175.6	-178.3	174.6	-8.4	0	0	109.6	H238	Q236-H238 PolarHBondContact O-N 2.66Å
237	I	48.1	Very low	35.4	Very low	33 Å²	33	103.8 Å²	103.8	17%	0.169	61%	0.61	C	S	.	*			trans	-72.9	111.6	-176.1	-52.6	173.7	0	0	0	109.8	F89 F98 G101 T104	F89-I237 HydrophobicContact CD1-CD1 4.25Å; F89-I237 HydrophobicContact CE1-CD1 3.79Å; F89-I237 HydrophobicContact CE1-CG1 4.49Å; F98-I237 HydrophobicContact CB-CD1 3.51Å; F98-I237 HydrophobicContact CG-CD1 4.46Å; G101-I237 WeakPolarHBondContact CA-O 3.4Å; G101-I237 PolarHBondContact N-O 2.65Å; T104-I237 HydrophobicContact CG2-CD1 4.18Å; T104-I237 HydrophobicContact CG2-CG1 4.49Å
238	H	36	Very low	35.6	Very low	122 Å²	122	104.9 Å²	104.9	57%	0.565	61%	0.605	S	S	*	*			trans	-91.5	136.5	175.5	-112.1	-105.9	0	0	0	111.5	Q236 N240	Q236-H238 PolarHBondContact O-N 2.66Å; H238-N240 PolarHBondContact O-N 3.34Å
239	E	33.4	Very low	36.1	Very low	158 Å²	158	106.6 Å²	106.6	74%	0.738	60%	0.595	S	S	*	*			trans	-76.7	54.1	173.5	-63.8	-173.6	154.1	0	0	111.9	S100	S100-E239 WeakPolarHBondContact CB-OE1 3.33Å; S100-E239 PolarHBondContact OG-OE1 2.69Å
240	N	36.3	Very low	36.6	Very low	116 Å²	116	103.8 Å²	103.8	62%	0.62	58%	0.578	S	S	*	*			trans	-94.5	108	170.4	-69.9	14.8	0	0	0	107.5	H238 C242	H238-N240 PolarHBondContact O-N 3.34Å; N240-C242 VanDerWaalsContact C-N 3.26Å; N240-C242 PolarHBondContact O-N 2.85Å
241	G	33.4	Very low	37.1	Very low	75 Å²	75	104.9 Å²	104.9	77%	0.773	58%	0.575	S	S	*	*			trans	-67.8	78.7	178	0	0	0	0	0	112.4	S243	G241-S243 PolarHBondContact O-N 3.43Å
242	C	29.2	Very low	37.6	Very low	87 Å²	87	103.8 Å²	103.8	59%	0.588	57%	0.566	S	S	*	*			trans	-65.2	81.1	173.7	-77.3	0	0	0	0	110.8	N240 I244	N240-C242 VanDerWaalsContact C-N 3.26Å; N240-C242 PolarHBondContact O-N 2.85Å; C242-I244 PolarHBondContact O-N 3.16Å; C242-I244 VanDerWaalsContact O-N 3.14Å
243	S	31.5	Very low	37.6	Very low	112 Å²	112	104.7 Å²	104.7	78%	0.783	57%	0.568	S	S	*	*			trans	-58.3	113.9	167.6	-60.2	0	0	0	0	108.4	G241 P245	G241-S243 PolarHBondContact O-N 3.43Å; S243-P245 WeakPolarHBondContact O-CD 3.41Å
244	I	35.4	Very low	37.4	Very low	71 Å²	71	101.9 Å²	101.9	36%	0.364	55%	0.553	S	S	.	*			trans	-60.1	125.8	176.4	-66	167	0	0	0	108.2	V63 V76 C242 G246	V63-I244 HydrophobicContact CB-CD1 4.23Å; V63-I244 HydrophobicContact CG2-CD1 3.91Å; V76-I244 HydrophobicContact CG2-CD1 3.84Å; C242-I244 PolarHBondContact O-N 3.16Å; C242-I244 VanDerWaalsContact O-N 3.14Å; I244-G246 PolarHBondContact O-N 3.08Å
245	P	31.3	Very low	37.1	Very low	133 Å²	133	106.5 Å²	106.5	86%	0.864	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	95.9	176.9	27.7	-33.5	0	0	0	109.8	S243	S243-P245 WeakPolarHBondContact O-CD 3.41Å
246	G	33.1	Very low	36.4	Very low	37 Å²	37	110.8 Å²	110.8	38%	0.381	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	172.3	-27.1	176.9	0	0	0	0	0	116.8	Y57 I244 E248	Y57-G246 PolarHBondContact OH-O 2.85Å; I244-G246 PolarHBondContact O-N 3.08Å; G246-E248 PolarHBondContact O-N 3.26Å
247	S	35.1	Very low	36.2	Very low	78 Å²	78	114.7 Å²	114.7	55%	0.545	60%	0.604	S	S	.	*			trans	-99.3	63.5	-169.7	66.4	0	0	0	0	114.9	Y249	S247-Y249 PolarHBondContact O-N 3.47Å
248	E	36.2	Very low	35.5	Very low	139 Å²	139	116 Å²	116	65%	0.65	63%	0.625	S	S	*	*			trans	-71	98.7	163	-76.4	-162.5	107.7	0	0	110.1	G246 H250	G246-E248 PolarHBondContact O-N 3.26Å; E248-H250 PolarHBondContact O-N 2.64Å
249	Y	35.2	Very low	35.5	Very low	147 Å²	147	119.7 Å²	119.7	58%	0.576	65%	0.645	S	S	*	*			trans	-77.8	65.9	-176.9	-123.9	-74.3	0	0	0	111.6	F45 S247 K251	F45-Y249 HydrophobicContact CE1-CD2 4.07Å; F45-Y249 HydrophobicContact CE1-CE2 4.25Å; F45-Y249 HydrophobicContact CE1-CG 4.39Å; F45-Y249 AromaticContact CZ-CD2 3.93Å; F45-Y249 HydrophobicContact CZ-CD2 3.93Å; F45-Y249 HydrophobicContact CZ-CE1 4.26Å; F45-Y249 AromaticContact CZ-CE2 3.66Å; F45-Y249 HydrophobicContact CZ-CE2 3.66Å; F45-Y249 HydrophobicContact CZ-CG 4.35Å; F45-Y249 AromaticContact CZ-CZ 3.82Å; S247-Y249 PolarHBondContact O-N 3.47Å; Y249-K251 VanDerWaalsContact C-N 3.33Å; Y249-K251 PolarHBondContact O-N 3.48Å
250	H	43.3	Very low	35.4	Very low	77 Å²	77	115.6 Å²	115.6	36%	0.356	65%	0.646	S	S	.	*			trans	-78.5	74.1	-164.8	-138	48.7	0	0	0	114.4	E21 E248 Q252	E21-H250 WeakPolarHBondContact CG-NE2 3.22Å; E21-H250 IonicContact OE1-CD2 3.36Å; E21-H250 IonicContact OE1-NE2 2.64Å; E248-H250 PolarHBondContact O-N 2.64Å; H250-Q252 PolarHBondContact CD2-NE2 2.78Å; H250-Q252 PolarHBondContact NE2-NE2 3.17Å; H250-Q252 VanDerWaalsContact NE2-NE2 3.14Å; H250-Q252 PolarHBondContact O-N 3.4Å
251	K	38.9	Very low	35.4	Very low	186 Å²	186	114.3 Å²	114.3	81%	0.809	64%	0.644	S	S	*	*			trans	-79.2	58.2	-177.6	-160.8	173	-175.8	173.1	0	112.7	Y249 K253	Y249-K251 VanDerWaalsContact C-N 3.33Å; Y249-K251 PolarHBondContact O-N 3.48Å; K251-K253 PolarHBondContact O-N 2.62Å
252	Q	42.5	Very low	35.6	Very low	102 Å²	102	116.7 Å²	116.7	48%	0.477	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-70.4	121.6	173.4	-66.9	-165.7	3.2	0	0	110.7	H250 L254	H250-Q252 PolarHBondContact CD2-NE2 2.78Å; H250-Q252 PolarHBondContact NE2-NE2 3.17Å; H250-Q252 VanDerWaalsContact NE2-NE2 3.14Å; H250-Q252 PolarHBondContact O-N 3.4Å; Q252-L254 PolarHBondContact O-N 3.07Å
253	K	36.3	Very low	35.7	Very low	165 Å²	165	116.6 Å²	116.6	72%	0.717	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-74.7	118.6	174.2	-178	-167.5	173.6	-154.4	0	108.8	K251 E255	K251-K253 PolarHBondContact O-N 2.62Å; K253-E255 HydrophobicContact CD-CG 4.28Å; K253-E255 WeakPolarHBondContact CE-OE1 3.45Å; K253-E255 HydrophobicContact CG-CG 4.41Å; K253-E255 IonicContact NZ-OE1 2.71Å; K253-E255 PolarHBondContact NZ-OE1 3.36Å; K253-E255 PolarHBondContact O-N 2.9Å
254	L	38.5	Very low	36.1	Very low	85 Å²	85	118.7 Å²	118.7	45%	0.445	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-69.6	118.2	172.6	-84	164	0	0	0	110.1	L18 K40 Q252	L18-L254 HydrophobicContact CD2-CD1 3.86Å; L18-L254 HydrophobicContact CD2-CD2 3.52Å; L18-L254 HydrophobicContact CD2-CG 4.37Å; K40-L254 HydrophobicContact CB-CD1 4.47Å; Q252-L254 PolarHBondContact O-N 3.07Å
255	E	35.1	Very low	35.9	Very low	148 Å²	148	120.1 Å²	120.1	69%	0.692	65%	0.649	S	S	*	*			trans	-111.1	113.2	169.7	-63	-167.9	153.6	0	0	108.3	K253	K253-E255 HydrophobicContact CD-CG 4.28Å; K253-E255 WeakPolarHBondContact CE-OE1 3.45Å; K253-E255 HydrophobicContact CG-CG 4.41Å; K253-E255 IonicContact NZ-OE1 2.71Å; K253-E255 PolarHBondContact NZ-OE1 3.36Å; K253-E255 PolarHBondContact O-N 2.9Å
256	E	33.3	Very low	36	Very low	136 Å²	136	118 Å²	118	64%	0.636	63%	0.634	S	S	*	*			trans	-85.4	112.1	-178.6	-62.7	-175.8	134.4	0	0	110.6
257	H	38.5	Very low	35.9	Very low	202 Å²	202	123 Å²	123	94%	0.935	65%	0.651	S	S	*	*			trans	-153.6	138.9	151	-79	-37.7	0	0	0	109.2
258	G	33.7	Very low	35.8	Very low	60 Å²	60	126 Å²	126	62%	0.619	66%	0.66	S	S	*	*			trans	-125.7	-155.9	-166.9	0	0	0	0	0	115.6
259	M	34.5	Very low	35.4	Very low	200 Å²	200	124.3 Å²	124.3	99%	0.985	66%	0.664	S	S	*	*			trans	73.4	130.5	-179.4	-72.9	-69.8	-164	0	0	118.9
260	G	32.6	Very low	35.4	Very low	72 Å²	72	122.3 Å²	122.3	74%	0.742	67%	0.667	S	S	*	*			trans	105.2	102.7	147.9	0	0	0	0	0	117.6
261	P	35.6	Very low	35.2	Very low	89 Å²	89	124.3 Å²	124.3	58%	0.578	69%	0.685	S	S	*	*			trans	-108.5	139.7	177.8	38.1	-29.8	0	0	0	113.6	M1	M1-P261 HydrophobicContact CE-CB 4.48Å; M1-P261 HydrophobicContact CE-CG 4.2Å; M1-P261 WeakPolarHBondContact CE-O 3.49Å; M1-P261 HydrophobicContact CG-CB 3.92Å; M1-P261 HydrophobicContact SD-CB 4.02Å; M1-P261 HydrophobicContact SD-CG 4.01Å
262	V	37.1	Very low	35	Very low	125 Å²	125	121.9 Å²	121.9	76%	0.758	69%	0.688	S	S	*	*			trans	-138.7	152.4	169.8	-174.6	0	0	0	0	110.5	M1	M1-V262 VanDerWaalsContact N-C 3.29Å; M1-V262 PolarHBondContact N-O 3Å
263	T	32.6	Very low	34.5	Very low	85 Å²	85	120.2 Å²	120.2	52%	0.521	70%	0.698	S	S	.	*			trans	-101.2	140.3	169.7	31.8	0	0	0	0	111	M1	M1-T263 HydrophobicContact CB-CG2 3.87Å; M1-T263 HydrophobicContact CG-CG2 4.14Å; M1-T263 VanDerWaalsContact N-CA 3.32Å
264	I	39.9	Very low	34.5	Very low	156 Å²	156	121.9 Å²	121.9	80%	0.8	71%	0.708	S	S	*	*			trans	-178.1	149	136.1	-94.4	149.2	0	0	0	107.1
265	D	30.9	Very low	34.1	Very low	100 Å²	100	124.3 Å²	124.3	54%	0.535	73%	0.727	S	S	.	*			trans	-89.5	158.7	173.1	-39.3	-59.1	0	0	0	110.7	R562	D265-R562 IonicContact OD2-CZ 2.65Å; D265-R562 IonicContact OD2-NE 2.69Å; D265-R562 PolarHBondContact OD2-NE 2.86Å; D265-R562 VanDerWaalsContact OD2-NE 3.08Å; D265-R562 IonicContact OD2-NH2 2.66Å; D265-R562 PolarHBondContact OD2-NH2 3.49Å
266	T	32.2	Very low	33.9	Very low	90 Å²	90	125.1 Å²	125.1	55%	0.552	73%	0.734	S	S	*	*			trans	73.5	168.6	169.9	-25.6	0	0	0	0	114.2
267	L	32.5	Very low	33.9	Very low	140 Å²	140	123.6 Å²	123.6	73%	0.733	74%	0.739	S	S	*	*			trans	82.8	115.6	175.2	-52.7	-173.6	0	0	0	118.3
268	L	32	Very low	33.6	Very low	143 Å²	143	120 Å²	120	75%	0.749	73%	0.733	S	S	*	*			trans	62.8	145.1	145.5	-77.7	64.3	0	0	0	116.8
269	S	28.4	Very low	33.6	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	74%	0.743	S	S	*	*			cis	69.7	149.1	42.8	-154.9	0	0	0	0	114.1
270	T	34.5	Very low	33.4	Very low	105 Å²	105	120.2 Å²	120.2	64%	0.644	73%	0.733	S	S	*	*			trans	52.2	89.7	171.3	49.7	0	0	0	0	118.4
271	T	39.6	Very low	33.5	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	74%	0.741	S	S	*	*				40.1	128.2	122.4	56.7	0	0	0	0	120.9
272	P	35.4	Very low	33.3	Very low	135 Å²	135	128.3 Å²	128.3	88%	0.877	75%	0.749	S	S	*	*				-73.3	139.1	128.6	33.5	-30.2	0	0	0	109.2
273	G	32.3	Very low	33.1	Very low	67 Å²	67	128.7 Å²	128.7	69%	0.691	75%	0.754	S	S	*	*			cis	127.7	17.4	3.7	0	0	0	0	0	114.7
274	Q	35.2	Very low	33.2	Very low	200 Å²	200	129.6 Å²	129.6	94%	0.935	76%	0.764	S	S	*	*			trans	-111	110.5	161.8	-71.2	-160.2	0.1	0	0	110.1
275	T	29.9	Very low	32.8	Very low	136 Å²	136	126.8 Å²	126.8	83%	0.834	76%	0.764	S	S	*	*			trans	-87	116.4	-178	47.3	0	0	0	0	110.9
276	I	32	Very low	32.7	Very low	164 Å²	164	127.5 Å²	127.5	84%	0.841	78%	0.776	S	S	*	*			trans	-125.1	112.3	152.9	-60.4	-176	0	0	0	108.8
277	S	33.1	Very low	32.9	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	79%	0.79	S	S	*	*			trans	6.9	125	161.5	-52.2	0	0	0	0	119.6	N279	S277-N279 PolarHBondContact O-N 2.93Å
278	P	32.5	Very low	32.9	Very low	125 Å²	125	135 Å²	135	81%	0.812	79%	0.792	S	S	*	*			trans	-79.3	120.2	173.4	32.2	-32.7	0	0	0	112.1
279	N	32.5	Very low	32.8	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	80%	0.799	S	S	*	*			trans	-172.6	164.9	145.3	-98.4	-36.1	0	0	0	110.3	S277	S277-N279 PolarHBondContact O-N 2.93Å
280	S	31.7	Very low	33.2	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	79%	0.794	S	S	*	*			trans	50.5	73.7	173.8	56.9	0	0	0	0	117
281	F	33.3	Very low	33.1	Very low	208 Å²	208	140.7 Å²	140.7	91%	0.912	80%	0.799	S	S	*	*			trans	-116.5	117.5	142.4	-107.4	-85.5	0	0	0	109.3	P283	F281-P283 WeakPolarHBondContact O-CD 3.46Å
282	T	32.4	Very low	33	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	79%	0.793	S	S	*	*			trans	-77.6	121.7	179.5	47	0	0	0	0	110.6	S284	T282-S284 PolarHBondContact O-N 3.33Å; T282-S284 VanDerWaalsContact O-N 3.08Å
283	P	31.4	Very low	33.2	Very low	132 Å²	132	139.1 Å²	139.1	86%	0.857	79%	0.791	S	S	*	*			trans	-77.8	96.3	177.1	31.1	-33.3	0	0	0	110.4	F281	F281-P283 WeakPolarHBondContact O-CD 3.46Å
284	S	34.8	Very low	33.5	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	79%	0.794	S	S	*	*			trans	-107.1	151.4	171.8	-164	0	0	0	0	111.1	T282 C286	T282-S284 PolarHBondContact O-N 3.33Å; T282-S284 VanDerWaalsContact O-N 3.08Å; S284-C286 VanDerWaalsContact C-N 3.31Å; S284-C286 PolarHBondContact O-N 3.48Å
285	A	31.8	Very low	33.6	Very low	97 Å²	97	133.7 Å²	133.7	80%	0.802	77%	0.772	S	S	*	*			trans	54.8	29.1	174.8	0	0	0	0	0	117.6	E287	A285-E287 PolarHBondContact O-N 3.04Å
286	C	30.2	Very low	34.1	Very low	114 Å²	114	133.9 Å²	133.9	77%	0.77	77%	0.768	S	S	*	*			trans	-72.4	85.9	151.1	-98.3	0	0	0	0	108.8	S284 R288	S284-C286 VanDerWaalsContact C-N 3.31Å; S284-C286 PolarHBondContact O-N 3.48Å; C286-R288 WeakPolarHBondContact O-CG 3.35Å; C286-R288 PolarHBondContact O-N 2.81Å
287	E	34.8	Very low	34.1	Very low	182 Å²	182	136.6 Å²	136.6	85%	0.85	77%	0.77	S	S	*	*			trans	-58.8	95.6	175.4	-172.2	87.2	-104.5	0	0	109.7	A285 R289	A285-E287 PolarHBondContact O-N 3.04Å; E287-R289 PolarHBondContact O-N 2.86Å
288	R	32.8	Very low	34.3	Very low	205 Å²	205	134.9 Å²	134.9	77%	0.774	77%	0.769	S	S	*	*			trans	-72	102.8	-174.9	-59.4	178.6	176.4	157.9	-2.6	109.5	C286 I290	C286-R288 WeakPolarHBondContact O-CG 3.35Å; C286-R288 PolarHBondContact O-N 2.81Å; R288-I290 HydrophobicContact CB-CD1 4.15Å; R288-I290 HydrophobicContact CB-CG1 3.9Å; R288-I290 PolarHBondContact O-N 3.03Å
289	R	31	Very low	34.6	Very low	241 Å²	241	138 Å²	138	91%	0.909	76%	0.764	S	S	*	*			trans	-67.3	73.1	154.7	-70.7	-167.7	179.8	-164.9	0.6	109.7	E287 C291	E287-R289 PolarHBondContact O-N 2.86Å; R289-C291 PolarHBondContact O-N 2.78Å; R289-C291 VanDerWaalsContact O-N 3.1Å
290	I	36.3	Very low	35	Very low	120 Å²	120	137.9 Å²	137.9	62%	0.615	76%	0.759	S	S	*	*			trans	-60.4	109.2	164.4	-71	161.2	0	0	0	105.9	R288	R288-I290 HydrophobicContact CB-CD1 4.15Å; R288-I290 HydrophobicContact CB-CG1 3.9Å; R288-I290 PolarHBondContact O-N 3.03Å
291	C	31.9	Very low	35.2	Very low	110 Å²	110	140.6 Å²	140.6	74%	0.743	75%	0.753	S	S	*	*			trans	-58.5	132.8	164.3	-63.4	0	0	0	0	107.4	R289	R289-C291 PolarHBondContact O-N 2.78Å; R289-C291 VanDerWaalsContact O-N 3.1Å
292	P	37.4	Very low	35.6	Very low	94 Å²	94	134.6 Å²	134.6	61%	0.61	73%	0.734	S	S	*	*			trans	-59.4	127.3	-175.9	22.2	-32.2	0	0	0	110.1	G294 V295	P292-G294 PolarHBondContact O-N 2.92Å; P292-V295 HydrophobicContact CG-CG2 4.08Å
293	P	40	Very low	36.3	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	109.7	177.8	27.2	-33	0	0	0	109.1
294	G	37.7	Very low	37.6	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	147.9	-6.7	-179.7	0	0	0	0	0	116.3	P292 D296	P292-G294 PolarHBondContact O-N 2.92Å; G294-D296 PolarHBondContact O-N 2.84Å; G294-D296 VanDerWaalsContact O-N 3.15Å
295	V	39	Very low	38.3	Very low	80 Å²	80	133 Å²	133	49%	0.485	70%	0.703	S	S	.	*			trans	-87.2	82.6	179.7	-163.2	0	0	0	0	111.6	P292 Y297	P292-V295 HydrophobicContact CG-CG2 4.08Å; V295-Y297 HydrophobicContact CB-CD2 4.34Å; V295-Y297 HydrophobicContact CB-CE2 3.97Å; V295-Y297 HydrophobicContact CG1-CD2 3.78Å; V295-Y297 HydrophobicContact CG1-CE1 4.14Å; V295-Y297 HydrophobicContact CG1-CE2 3.34Å; V295-Y297 HydrophobicContact CG1-CG 4.35Å; V295-Y297 WeakPolarHBondContact O-CD2 3.37Å; V295-Y297 PolarHBondContact O-N 3.11Å
296	D	39	Very low	39.4	Very low	140 Å²	140	132.5 Å²	132.5	75%	0.749	69%	0.686	S	S	*	*			trans	-70	89.5	170.5	-91.7	-37.2	0	0	0	111.1	G294 G298	G294-D296 PolarHBondContact O-N 2.84Å; G294-D296 VanDerWaalsContact O-N 3.15Å; D296-G298 PolarHBondContact O-N 3.15Å
297	Y	32.8	Very low	40.8	Very low	222 Å²	222	132.4 Å²	132.4	87%	0.871	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	66.4	169.3	-72.2	-78	0	0	0	111.6	V295	V295-Y297 HydrophobicContact CB-CD2 4.34Å; V295-Y297 HydrophobicContact CB-CE2 3.97Å; V295-Y297 HydrophobicContact CG1-CD2 3.78Å; V295-Y297 HydrophobicContact CG1-CE1 4.14Å; V295-Y297 HydrophobicContact CG1-CE2 3.34Å; V295-Y297 HydrophobicContact CG1-CG 4.35Å; V295-Y297 WeakPolarHBondContact O-CD2 3.37Å; V295-Y297 PolarHBondContact O-N 3.11Å
298	G	36.5	Very low	42	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.8	24.2	-179.9	0	0	0	0	0	119.1	D296	D296-G298 PolarHBondContact O-N 3.15Å
299	R	39.8	Very low	42.9	Very low	191 Å²	191	120.8 Å²	120.8	72%	0.721	64%	0.641	S	S	*	*			trans	-151.9	83.3	172.5	-100.1	161.5	-158.3	-81.1	-1.6	112.2
300	Q	41.5	Very low	44.4	Very low	151 Å²	151	117.2 Å²	117.2	71%	0.706	64%	0.635	S	S	*	*			trans	-151.8	38.4	172.4	-131.5	143.5	89.1	0	0	113.5
301	Y	34.5	Very low	45.8	Very low	169 Å²	169	117.4 Å²	117.4	66%	0.663	63%	0.633	S	S	*	*	S	Bend	trans	-75.6	146.7	154.3	-75.9	-87.7	0	0	0	109	Y305	Y301-Y305 HydrophobicContact CD1-CD1 4.11Å; Y301-Y305 HydrophobicContact CD1-CG 4.23Å
302	P	42.8	Very low	46.4	Very low	81 Å²	81	115 Å²	115	53%	0.526	63%	0.626	S	S	.	*			trans	-61.2	145.4	170.6	27.5	-34.1	0	0	0	110.2	S304 Y305	P302-S304 PolarHBondContact O-N 2.94Å; P302-S304 VanDerWaalsContact O-N 3.09Å; P302-Y305 WeakPolarHBondContact O-CB 3.45Å; P302-Y305 PolarHBondContact O-N 2.91Å
303	I	46.7	Very low	46.6	Very low	137 Å²	137	117.3 Å²	117.3	70%	0.703	63%	0.627	S	S	*	*	H	α-helix	trans	-56	-33.8	-171.4	-65.2	171.6	0	0	0	112.2	Y305 L306 Q307	I303-Y305 PolarHBondContact O-N 3.16Å; I303-L306 PolarHBondContact O-N 2.72Å; I303-L306 VanDerWaalsContact O-N 3.16Å; I303-Q307 PolarHBondContact O-N 2.85Å
304	S	58.5	Low	46.8	Very low	73 Å²	73	116.8 Å²	116.8	51%	0.51	62%	0.622	S	S	.	*	H	α-helix	trans	-53.3	-34.3	174	52.7	0	0	0	0	114	P302 Q307 L308	P302-S304 PolarHBondContact O-N 2.94Å; P302-S304 VanDerWaalsContact O-N 3.09Å; S304-Q307 PolarHBondContact O-N 2.79Å; S304-L308 WeakPolarHBondContact O-CG 3.49Å; S304-L308 PolarHBondContact O-N 3.36Å
305	Y	49.1	Very low	46.6	Very low	118 Å²	118	116.9 Å²	116.9	46%	0.463	62%	0.615	S	S	.	*	H	α-helix	trans	-76.3	-32.8	-178.2	-145.5	-86	0	0	0	112.4	Y301 P302 I303 A309 A315	Y301-Y305 HydrophobicContact CD1-CD1 4.11Å; Y301-Y305 HydrophobicContact CD1-CG 4.23Å; P302-Y305 WeakPolarHBondContact O-CB 3.45Å; P302-Y305 PolarHBondContact O-N 2.91Å; I303-Y305 PolarHBondContact O-N 3.16Å; Y305-A309 PolarHBondContact O-N 3.42Å; Y305-A315 HydrophobicContact CE1-CB 4.49Å; Y305-A315 WeakPolarHBondContact OH-CB 3.26Å
306	L	55.2	Low	46.7	Very low	85 Å²	85	119.8 Å²	119.8	45%	0.445	63%	0.627	S	S	.	*	H	α-helix	trans	-70.3	-40.9	171.3	-80.4	168.4	0	0	0	111	I303 L308 A309 E310	I303-L306 PolarHBondContact O-N 2.72Å; I303-L306 VanDerWaalsContact O-N 3.16Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 3.33Å; L306-A309 WeakPolarHBondContact O-CB 3.46Å; L306-A309 PolarHBondContact O-N 3.17Å; L306-A309 VanDerWaalsContact O-N 3.16Å; L306-E310 PolarHBondContact O-N 3.1Å
307	Q	60.8	Low	46.2	Very low	113 Å²	113	121.5 Å²	121.5	53%	0.528	63%	0.633	S	S	.	*	H	α-helix	trans	-69.8	-30.8	-178.7	-159.6	163.9	3.4	0	0	112.7	I303 S304 Q311	I303-Q307 PolarHBondContact O-N 2.85Å; S304-Q307 PolarHBondContact O-N 2.79Å; Q307-Q311 WeakPolarHBondContact O-CG 3.23Å; Q307-Q311 PolarHBondContact O-N 2.76Å; Q307-Q311 VanDerWaalsContact O-N 3.12Å
308	L	58.2	Low	46.2	Very low	81 Å²	81	115.6 Å²	115.6	42%	0.424	62%	0.624	S	S	.	*	H	α-helix	trans	-67.6	-39.2	168.6	-74.8	168.1	0	0	0	112.5	S304 L306 Q311 G312 F313	S304-L308 WeakPolarHBondContact O-CG 3.49Å; S304-L308 PolarHBondContact O-N 3.36Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 3.33Å; L308-Q311 CarbonylContact O-C 3.5Å; L308-Q311 PolarHBondContact O-N 3Å; L308-G312 PolarHBondContact O-N 2.75Å; L308-F313 HydrophobicContact CD2-CD2 4.23Å; L308-F313 PolarHBondContact O-N 3.18Å
309	A	53.4	Low	46	Very low	62 Å²	62	117.9 Å²	117.9	51%	0.512	63%	0.629	S	S	.	*	H	α-helix	trans	-67.4	-36.7	175.3	0	0	0	0	0	112.3	Y305 L306 Q311 G312	Y305-A309 PolarHBondContact O-N 3.42Å; L306-A309 WeakPolarHBondContact O-CB 3.46Å; L306-A309 PolarHBondContact O-N 3.17Å; L306-A309 VanDerWaalsContact O-N 3.16Å; A309-Q311 VanDerWaalsContact C-N 3.25Å; A309-Q311 PolarHBondContact O-N 2.89Å; A309-G312 PolarHBondContact O-N 3.08Å; A309-G312 VanDerWaalsContact O-N 3.07Å
310	E	61.7	Low	46	Very low	166 Å²	166	114.4 Å²	114.4	78%	0.776	62%	0.621	S	S	*	*	H	α-helix	trans	-68.4	-23.1	171.8	-72.2	-179.5	168.6	0	0	112.9	L306 G312	L306-E310 PolarHBondContact O-N 3.1Å; E310-G312 VanDerWaalsContact C-N 3.32Å
311	Q	64.9	Low	45.8	Very low	124 Å²	124	116 Å²	116	58%	0.579	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	2	169.4	-72.3	177.5	-8.6	0	0	113.7	Q307 L308 A309 F313	Q307-Q311 WeakPolarHBondContact O-CG 3.23Å; Q307-Q311 PolarHBondContact O-N 2.76Å; Q307-Q311 VanDerWaalsContact O-N 3.12Å; L308-Q311 CarbonylContact O-C 3.5Å; L308-Q311 PolarHBondContact O-N 3Å; A309-Q311 VanDerWaalsContact C-N 3.25Å; A309-Q311 PolarHBondContact O-N 2.89Å; Q311-F313 HydrophobicContact CB-CD2 3.88Å; Q311-F313 HydrophobicContact CB-CE2 4.14Å
312	G	44.8	Very low	45.9	Very low	58 Å²	58	115.3 Å²	115.3	60%	0.598	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.1	6	175.4	0	0	0	0	0	115.7	L308 A309 E310 T314	L308-G312 PolarHBondContact O-N 2.75Å; A309-G312 PolarHBondContact O-N 3.08Å; A309-G312 VanDerWaalsContact O-N 3.07Å; E310-G312 VanDerWaalsContact C-N 3.32Å; G312-T314 PolarHBondContact O-N 3.01Å
313	F	42.7	Very low	45.5	Very low	143 Å²	143	118 Å²	118	63%	0.627	65%	0.645	S	S	*	*			trans	-77.5	106.8	177.6	-70.7	-79.1	0	0	0	111.2	L308 Q311	L308-F313 HydrophobicContact CD2-CD2 4.23Å; L308-F313 PolarHBondContact O-N 3.18Å; Q311-F313 HydrophobicContact CB-CD2 3.88Å; Q311-F313 HydrophobicContact CB-CE2 4.14Å
314	T	42.8	Very low	45.1	Very low	118 Å²	118	116.1 Å²	116.1	72%	0.724	64%	0.642	S	S	*	*			trans	-76.1	124.8	169.2	51	0	0	0	0	110.3	G312 I316	G312-T314 PolarHBondContact O-N 3.01Å; T314-I316 PolarHBondContact O-N 3.49Å
315	A	34.7	Very low	43.9	Very low	73 Å²	73	119.5 Å²	119.5	60%	0.603	65%	0.654	S	S	*	*			trans	-73.8	85.2	179.4	0	0	0	0	0	112.3	Y305	Y305-A315 HydrophobicContact CE1-CB 4.49Å; Y305-A315 WeakPolarHBondContact OH-CB 3.26Å
316	I	39.7	Very low	43.2	Very low	142 Å²	142	121 Å²	121	73%	0.728	67%	0.667	S	S	*	*			trans	-135.8	151	162.8	-52.3	179.1	0	0	0	105.9	T314	T314-I316 PolarHBondContact O-N 3.49Å
317	M	29.7	Very low	42.1	Very low	176 Å²	176	121.8 Å²	121.8	87%	0.867	68%	0.68	S	S	*	*	S	Bend	trans	81.1	151.4	-178.4	-52	-173.5	68.1	0	0	116.9
318	S	31.3	Very low	40.8	Very low	98 Å²	98	122.6 Å²	122.6	69%	0.685	69%	0.688	S	S	*	*			trans	-47.8	153.4	-173.3	-44.6	0	0	0	0	116.3	E320	S318-E320 VanDerWaalsContact C-N 3.3Å; S318-E320 PolarHBondContact O-N 3.46Å
319	S	33.3	Very low	39.6	Very low	116 Å²	116	126.1 Å²	126.1	81%	0.811	70%	0.702	S	S	*	*	S	Bend	trans	-96	48.5	163.3	-66.5	0	0	0	0	111.7
320	E	40.5	Very low	38.7	Very low	119 Å²	119	128.7 Å²	128.7	56%	0.556	71%	0.707	S	S	*	*			trans	-131.1	159.2	169.7	-69.3	-175.1	149.4	0	0	108.3	S318 Y420	S318-E320 VanDerWaalsContact C-N 3.3Å; S318-E320 PolarHBondContact O-N 3.46Å; E320-Y420 WeakPolarHBondContact OE1-CE2 3.4Å; E320-Y420 VanDerWaalsContact OE1-CZ 3.25Å; E320-Y420 PolarHBondContact OE1-OH 3.24Å
321	E	36.5	Very low	37.5	Very low	185 Å²	185	128.3 Å²	128.3	86%	0.864	71%	0.709	S	S	*	*			trans	71.5	151.8	-168.2	-54.1	-165.9	166.6	0	0	117.1
322	L	36	Very low	36.2	Very low	153 Å²	153	124.8 Å²	124.8	80%	0.801	71%	0.706	S	S	*	*			trans	59.4	117.4	-171.5	-48.2	176.9	0	0	0	114.6
323	N	34.1	Very low	35.9	Very low	138 Å²	138	129.8 Å²	129.8	74%	0.738	71%	0.713	S	S	*	*			cis	-173.9	175.7	0.5	-115.8	-11.6	0	0	0	107.3
324	P	38.7	Very low	35.5	Very low	98 Å²	98	133.2 Å²	133.2	64%	0.636	72%	0.722	S	S	*	*			cis	-131.1	170.2	-45.8	38	-23.7	0	0	0	111.6
325	N	33	Very low	35.1	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	72%	0.72	S	S	*	*			trans	-179.9	156.2	135.2	-102.8	-29.4	0	0	0	113.9
326	M	34.3	Very low	35	Very low	148 Å²	148	140 Å²	140	73%	0.729	73%	0.733	S	S	*	*			trans	71.7	113.7	171.5	-56.4	-55.9	103.9	0	0	117.8
327	S	33.4	Very low	34.8	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	73%	0.733	S	S	*	*			trans	45.7	136.5	136.3	63.2	0	0	0	0	121.3
328	N	32.3	Very low	35	Very low	130 Å²	130	137.5 Å²	137.5	70%	0.695	73%	0.733	S	S	*	*			cis	-165.1	145.7	-8.2	-129.5	31.2	0	0	0	108
329	E	34	Very low	35.2	Very low	155 Å²	155	137.1 Å²	137.1	72%	0.724	74%	0.735	S	S	*	*			trans	62.5	152.7	155	-68.9	177.5	-152.3	0	0	117.8
330	N	35.1	Very low	35	Very low	116 Å²	116	142.9 Å²	142.9	62%	0.62	74%	0.739	S	S	*	*			cis	-151.3	151.5	-3.2	-128.4	-35.4	0	0	0	110.9
331	I	36.3	Very low	34.7	Very low	158 Å²	158	141.7 Å²	141.7	81%	0.81	74%	0.744	S	S	*	*			trans	60.6	129.5	157.9	-54.2	157.1	0	0	0	117.9
332	G	36.5	Very low	34.4	Very low	50 Å²	50	139.5 Å²	139.5	52%	0.515	74%	0.738	S	S	.	*			cis	161.9	130	-9.9	0	0	0	0	0	115
333	H	38.3	Very low	34.3	Very low	164 Å²	164	138.3 Å²	138.3	76%	0.759	73%	0.732	S	S	*	*			trans	67.9	157.9	154	-46.3	-68.4	0	0	0	119.7
334	R	35.3	Very low	34.2	Very low	214 Å²	214	140.4 Å²	140.4	81%	0.808	74%	0.735	S	S	*	*			cis	-156.3	121.7	-30.7	-111	175	-178.8	176.7	2.3	110
335	S	34.3	Very low	34	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	74%	0.736	S	S	*	*				41.7	121.3	117.7	-50.7	0	0	0	0	122.9
336	R	33.2	Very low	33.9	Very low	236 Å²	236	138.3 Å²	138.3	89%	0.891	74%	0.735	S	S	*	*			trans	65.5	127	142.1	-56.5	171.3	177.9	-175.2	-0.8	119.4
337	S	34.9	Very low	33.8	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	73%	0.731	S	S	*	*				172.5	140.7	96.1	-74.1	0	0	0	0	115.5
338	L	33.4	Very low	33.9	Very low	163 Å²	163	138.5 Å²	138.5	85%	0.853	73%	0.732	S	S	*	*			trans	44.5	121.4	138.7	-59.1	173.4	0	0	0	122.8
339	A	35.6	Very low	33.9	Very low	89 Å²	89	143 Å²	143	74%	0.736	74%	0.741	S	S	*	*				78	127.1	125.1	0	0	0	0	0	122.8
340	R	29.9	Very low	33.8	Very low	238 Å²	238	141.4 Å²	141.4	90%	0.898	74%	0.742	S	S	*	*			trans	65	114.7	140.7	-84.9	-170.6	172.6	-168.2	-2.5	120.9
341	S	32.6	Very low	34	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	75%	0.747	S	S	*	*				72.2	131.4	128	64.9	0	0	0	0	121.3
342	N	31	Very low	33.9	Very low	139 Å²	139	138.6 Å²	138.6	74%	0.743	74%	0.743	S	S	*	*			trans	81.3	143.5	143.5	-70.1	13.2	0	0	0	120.2
343	N	33.6	Very low	34	Very low	128 Å²	128	143.4 Å²	143.4	68%	0.684	75%	0.751	S	S	*	*			trans	86.5	111.4	146.4	-67.5	-3.3	0	0	0	121.3
344	F	33.3	Very low	34.1	Very low	182 Å²	182	142.3 Å²	142.3	80%	0.798	75%	0.747	S	S	*	*				66.9	130.5	128.1	-78.1	-92.8	0	0	0	122.2
345	S	33.9	Very low	34.1	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	74%	0.741	S	S	*	*			trans	75.6	107.6	136.6	-61.5	0	0	0	0	121.9
346	S	31.5	Very low	34.4	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	74%	0.744	S	S	*	*				62.1	105	111.8	-51.5	0	0	0	0	121.7
347	S	31.5	Very low	34.3	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	73%	0.734	S	S	*	*				88.2	155.3	112.1	71.3	0	0	0	0	122.5
348	H	34.3	Very low	34.3	Very low	160 Å²	160	139.7 Å²	139.7	74%	0.741	74%	0.74	S	S	*	*			trans	72.8	109.3	173.2	-46.8	-71.5	0	0	0	117.8
349	Y	33.4	Very low	34.5	Very low	226 Å²	226	142.8 Å²	142.8	89%	0.886	74%	0.741	S	S	*	*				-159.5	147.1	86.9	-116.8	-92.1	0	0	0	112.3
350	T	32.4	Very low	34.5	Very low	121 Å²	121	146.1 Å²	146.1	74%	0.742	75%	0.746	S	S	*	*			trans	-134.3	166.5	165.9	58.6	0	0	0	0	107.6
351	P	39	Very low	34.8	Very low	110 Å²	110	141.2 Å²	141.2	71%	0.714	74%	0.742	S	S	*	*				-157.8	160.3	99.5	39.5	-21	0	0	0	117.6
352	S	34.7	Very low	34.9	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	75%	0.748	S	S	*	*			trans	60.1	151.7	150.8	-54.4	0	0	0	0	119.7
353	H	38.6	Very low	35	Very low	151 Å²	151	146.4 Å²	146.4	70%	0.699	75%	0.751	S	S	*	*			cis	-135.3	140.6	22	-97.4	-107.6	0	0	0	113.4
354	Q	38.9	Very low	34.9	Very low	141 Å²	141	145.8 Å²	145.8	66%	0.659	76%	0.757	S	S	*	*			trans	50.5	146.4	134.6	-70.4	167.9	-28.2	0	0	121.7
355	H	36.5	Very low	35	Very low	147 Å²	147	140.8 Å²	140.8	68%	0.681	75%	0.749	S	S	*	*			cis	-159.4	146	8	-120.6	-54.1	0	0	0	111.8
356	V	39.8	Very low	34.9	Very low	123 Å²	123	142.8 Å²	142.8	75%	0.745	76%	0.757	S	S	*	*			trans	50.9	125.2	154.8	-162.6	0	0	0	0	119.5
357	S	30.7	Very low	35.1	Very low	98 Å²	98	141.9 Å²	141.9	69%	0.685	75%	0.751	S	S	*	*			cis	81.5	91.2	5.7	178.2	0	0	0	0	120.9
358	R	36.4	Very low	35.2	Very low	229 Å²	229	144.4 Å²	144.4	86%	0.864	76%	0.758	S	S	*	*			trans	164.3	133.2	140.4	-90.2	160	-170.2	-158.4	2.4	108.8
359	R	36.7	Very low	35.5	Very low	228 Å²	228	142.1 Å²	142.1	86%	0.86	76%	0.759	S	S	*	*				54.3	110.6	72.3	-78.3	-170.1	-178.2	163	1.5	113.6
360	D	35.6	Very low	35.4	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	76%	0.759	S	S	*	*				-166.9	174.3	96.9	-91.3	-28.8	0	0	0	112.5
361	V	35.4	Very low	35.7	Very low	136 Å²	136	139 Å²	139	82%	0.824	76%	0.756	S	S	*	*			trans	-87.5	141.5	-177.8	174.5	0	0	0	0	110.4
362	V	36.5	Very low	35.3	Very low	126 Å²	126	142 Å²	142	76%	0.764	76%	0.758	S	S	*	*			trans	-175.6	148.3	136.6	139.4	0	0	0	0	113.6
363	R	32.8	Very low	35	Very low	214 Å²	214	145.7 Å²	145.7	81%	0.808	76%	0.756	S	S	*	*			trans	-16.8	148.9	168.1	-60.2	167.5	171.3	147	-4	120.1
364	S	32	Very low	34.6	Very low	115 Å²	115	147 Å²	147	80%	0.804	75%	0.754	S	S	*	*				20.6	143.7	120	-26.2	0	0	0	0	118.7
365	A	33.5	Very low	34.2	Very low	78 Å²	78	146 Å²	146	65%	0.645	75%	0.753	S	S	*	*			cis	-168.6	-178	29.2	0	0	0	0	0	111.4
366	T	32.7	Very low	33.9	Very low	135 Å²	135	144.7 Å²	144.7	83%	0.828	75%	0.751	S	S	*	*			trans	64	144.1	150.8	43.1	0	0	0	0	118.4
367	S	35.1	Very low	33.4	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	75%	0.75	S	S	*	*			cis	-173.2	152	2.8	40.5	0	0	0	0	113.6
368	N	34.4	Very low	33.5	Very low	146 Å²	146	146.4 Å²	146.4	78%	0.781	75%	0.753	S	S	*	*			trans	70.7	162.6	141.3	-62.3	-6	0	0	0	121.9
369	S	39.4	Very low	33.2	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	74%	0.744	S	S	*	*			trans	54.9	82.9	166.1	40.7	0	0	0	0	115.1
370	M	31.6	Very low	33	Very low	180 Å²	180	137.6 Å²	137.6	89%	0.887	74%	0.735	S	S	*	*				56.4	131.6	63.9	-74	-72.2	152.4	0	0	115.1
371	P	38.9	Very low	32.9	Very low	102 Å²	102	136 Å²	136	66%	0.662	72%	0.722	S	S	*	*			trans	-89.8	161.3	-170.6	37.8	-36.5	0	0	0	112.7
372	F	30.1	Very low	32.9	Very low	173 Å²	173	137 Å²	137	76%	0.759	72%	0.716	S	S	*	*			trans	-165.6	136.1	153.3	-98.6	-42.1	0	0	0	112.3
373	R	29.8	Very low	32.8	Very low	181 Å²	181	138.6 Å²	138.6	68%	0.683	72%	0.715	S	S	*	*			trans	69.1	154.8	137.8	-63.6	173.2	-172.1	-130.3	-0.6	117
374	R	29.3	Very low	32.8	Very low	178 Å²	178	133.6 Å²	133.6	67%	0.672	71%	0.707	S	S	*	*			cis	-172.1	161.2	-18.3	-114.6	174.8	170.8	-145.4	0.3	107.9
375	L	30.1	Very low	32.8	Very low	122 Å²	122	135.5 Å²	135.5	64%	0.639	71%	0.709	S	S	*	*			trans	65.6	149.1	144.7	-99	63.6	0	0	0	120
376	N	31.2	Very low	32.8	Very low	118 Å²	118	135.4 Å²	135.4	63%	0.631	72%	0.715	S	S	*	*			trans	71.3	126.1	153.4	-62.3	18.6	0	0	0	116
377	D	28.4	Very low	32.6	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	72%	0.715	S	S	*	*				71.5	151	50.4	-60.9	-53.8	0	0	0	112.4
378	T	32.7	Very low	32.4	Very low	121 Å²	121	135.8 Å²	135.8	74%	0.742	72%	0.722	S	S	*	*			trans	71.1	141.3	-173.9	80.7	0	0	0	0	114.9
379	E	31.2	Very low	32.5	Very low	145 Å²	145	134.1 Å²	134.1	68%	0.678	72%	0.719	S	S	*	*			cis	-162.2	149.5	-9.9	-120.7	175.9	99.2	0	0	111.6
380	L	32.2	Very low	32.1	Very low	126 Å²	126	133.4 Å²	133.4	66%	0.66	71%	0.714	S	S	*	*			trans	61.8	176.1	154.6	-51.4	165.6	0	0	0	115.4
381	Q	32.6	Very low	32.2	Very low	124 Å²	124	134.7 Å²	134.7	58%	0.579	72%	0.715	S	S	*	*			cis	-149.3	152.3	-0.8	-166.9	73.1	90	0	0	110.3
382	K	37.5	Very low	31.8	Very low	159 Å²	159	137.2 Å²	137.2	69%	0.691	72%	0.722	S	S	*	*			trans	71	125	160	-83.1	145.1	-171.5	174.9	0	116
383	Q	33.5	Very low	32.2	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.743	72%	0.723	S	S	*	*				74.2	144.4	53.4	-69.8	173.3	-10.4	0	0	113.6
384	V	32.3	Very low	32.2	Very low	108 Å²	108	130.7 Å²	130.7	66%	0.655	72%	0.722	S	S	*	*			cis	-170.5	157.2	-21.5	75	0	0	0	0	108.3
385	N	32.9	Very low	32.5	Very low	156 Å²	156	132.9 Å²	132.9	83%	0.834	73%	0.732	S	S	*	*			trans	62.3	159.4	165.3	-62.2	-18.1	0	0	0	118.9
386	G	33	Very low	32.7	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	73%	0.731	S	S	*	*			trans	147	94.7	152.1	0	0	0	0	0	116.6
387	C	28.8	Very low	32.8	Very low	124 Å²	124	129.1 Å²	129.1	84%	0.838	74%	0.737	S	S	*	*			trans	-52.1	159.9	-176.9	-58.1	0	0	0	0	118.8
388	S	29.9	Very low	33.1	Very low	106 Å²	106	130 Å²	130	74%	0.741	75%	0.747	S	S	*	*			trans	-32	153.7	148.1	52.3	0	0	0	0	115.3
389	P	37.9	Very low	33	Very low	111 Å²	111	129.6 Å²	129.6	72%	0.721	75%	0.75	S	S	*	*				-156.6	164.2	65.1	43.8	-23.4	0	0	0	120.9
390	S	29.4	Very low	33.1	Very low	96 Å²	96	131 Å²	131	67%	0.671	76%	0.76	S	S	*	*			trans	40.1	126.8	143.2	68.6	0	0	0	0	122.7
391	K	34.5	Very low	33	Very low	207 Å²	207	129.9 Å²	129.9	90%	0.9	76%	0.762	S	S	*	*				-178.5	161.1	107.8	-98.1	165.4	-177.2	176.9	0	113.7
392	L	30.9	Very low	32.9	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	78%	0.777	S	S	*	*			trans	-89.1	163.6	174.9	-71	157.8	0	0	0	111.2
393	P	37.6	Very low	32.7	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	78%	0.78	S	S	*	*				-132.4	152	88.5	18.5	1.9	0	0	0	112.9
394	S	30.3	Very low	32.6	Very low	97 Å²	97	126 Å²	126	68%	0.678	79%	0.786	S	S	*	*			cis	101	90.4	18.4	81.2	0	0	0	0	116.8
395	Y	35.6	Very low	32.7	Very low	224 Å²	224	126.2 Å²	126.2	88%	0.878	79%	0.792	S	S	*	*			trans	-159.1	106.8	149.4	-140.2	-109.3	0	0	0	107.1
396	S	34.6	Very low	32.7	Very low	89 Å²	89	125.8 Å²	125.8	62%	0.622	79%	0.79	S	S	*	*				42	128.5	84.7	62.2	0	0	0	0	115
397	G	33	Very low	32.8	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	80%	0.795	S	S	*	*			cis	136.3	121	-5.2	0	0	0	0	0	112.4
398	T	34.5	Very low	33.1	Very low	156 Å²	156	128.8 Å²	128.8	96%	0.957	79%	0.791	S	S	*	*			trans	-153.2	134.8	165.6	14.2	0	0	0	0	109.9
399	S	31.7	Very low	33.3	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	80%	0.798	S	S	*	*			trans	-106.7	135.8	-178.4	50.8	0	0	0	0	111.9
400	I	32.2	Very low	33	Very low	175 Å²	175	131.2 Å²	131.2	90%	0.897	80%	0.795	S	S	*	*			trans	-134.6	138.2	151.2	-58.4	-176.9	0	0	0	107
401	S	30	Very low	33.4	Very low	101 Å²	101	134.6 Å²	134.6	71%	0.706	81%	0.805	S	S	*	*			trans	-140.7	158	-179.5	57.2	0	0	0	0	111.2
402	V	30.8	Very low	33.3	Very low	145 Å²	145	131.3 Å²	131.3	88%	0.879	80%	0.803	S	S	*	*			trans	66.6	118.3	172.5	-166.1	0	0	0	0	116.2
403	G	33	Very low	33.5	Very low	73 Å²	73	127.6 Å²	127.6	75%	0.753	80%	0.802	S	S	*	*			trans	177.4	96.7	171.2	0	0	0	0	0	111.5
404	V	31.7	Very low	33.4	Very low	144 Å²	144	133.3 Å²	133.3	87%	0.873	81%	0.808	S	S	*	*			trans	-88.1	121	-172.2	177.4	0	0	0	0	111.8
405	S	34.1	Very low	33.7	Very low	112 Å²	112	135 Å²	135	78%	0.783	82%	0.817	S	S	*	*			trans	-164.5	161.3	152.5	49.4	0	0	0	0	110.9
406	N	32.5	Very low	33.8	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	82%	0.818	S	S	*	*			trans	-98.3	171.2	-170.4	-65.5	-48.8	0	0	0	113.3
407	T	35.5	Very low	33.8	Very low	144 Å²	144	141.3 Å²	141.3	88%	0.883	83%	0.831	S	S	*	*			trans	106.8	152.2	168.8	69.8	0	0	0	0	116.7
408	P	35	Very low	33.8	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	83%	0.832	S	S	*	*			trans	-114.6	164.2	-146.4	41.8	-34.6	0	0	0	116.8
409	I	35.1	Very low	33.8	Very low	172 Å²	172	145.7 Å²	145.7	88%	0.882	83%	0.828	S	S	*	*			trans	-134	156.9	167.5	-65.4	-176.3	0	0	0	109.8
410	S	31.6	Very low	33.8	Very low	96 Å²	96	148.9 Å²	148.9	67%	0.671	82%	0.824	S	S	*	*			trans	-127.9	-179.7	-171	-65.3	0	0	0	0	113.3
411	L	36.5	Very low	34	Very low	167 Å²	167	145.4 Å²	145.4	87%	0.874	81%	0.81	S	S	*	*			trans	77.6	155.4	171.8	-42.1	176.4	0	0	0	114
412	T	34.1	Very low	34	Very low	139 Å²	139	151.9 Å²	151.9	85%	0.853	82%	0.819	S	S	*	*			cis	-136	158.6	9.3	50.5	0	0	0	0	111.3
413	G	35.2	Very low	34.1	Very low	76 Å²	76	152.1 Å²	152.1	78%	0.784	81%	0.811	S	S	*	*			trans	170.1	2	166.4	0	0	0	0	0	123.3
414	R	34.8	Very low	34.1	Very low	241 Å²	241	160.1 Å²	160.1	91%	0.909	82%	0.818	S	S	*	*	S	Bend	trans	-139.6	150.5	175.3	-73	-166.9	178	-174.6	-0.6	112.5
415	P	36.7	Very low	34.1	Very low	133 Å²	133	159.4 Å²	159.4	86%	0.864	81%	0.805	S	S	*	*			trans	-78	157.9	-164.4	30.5	-36.7	0	0	0	114.8
416	K	37.6	Very low	33.9	Very low	209 Å²	209	162.5 Å²	162.5	91%	0.909	81%	0.812	S	S	*	*			trans	-106	119.8	176.1	-77.6	-177.4	173.3	-179.5	0	112.1
417	R	34.4	Very low	33.7	Very low	236 Å²	236	159.8 Å²	159.8	89%	0.891	81%	0.805	S	S	*	*			trans	-163.1	129.9	154.9	-91.5	178.5	-179	141.3	-0.6	105.2
418	D	33.5	Very low	33.9	Very low	142 Å²	142	159.2 Å²	159.2	76%	0.759	80%	0.804	S	S	*	*			cis	-132	154	4.1	-67.8	-47.2	0	0	0	112.2
419	M	33.8	Very low	33.8	Very low	177 Å²	177	157 Å²	157	87%	0.872	80%	0.802	S	S	*	*			trans	-138.9	104	164	-82	-157.7	75.1	0	0	110.8
420	Y	32.1	Very low	33.7	Very low	181 Å²	181	153.7 Å²	153.7	71%	0.71	79%	0.794	S	S	*	*			trans	-133.3	105.2	165	-91.9	-75	0	0	0	107.3	E320	E320-Y420 WeakPolarHBondContact OE1-CE2 3.4Å; E320-Y420 VanDerWaalsContact OE1-CZ 3.25Å; E320-Y420 PolarHBondContact OE1-OH 3.24Å
421	V	36	Very low	33.9	Very low	102 Å²	102	154.6 Å²	154.6	62%	0.618	80%	0.8	S	S	*	*				60.9	108.2	71.8	-177.6	0	0	0	0	113
422	R	31.2	Very low	33.9	Very low	236 Å²	236	151.2 Å²	151.2	89%	0.891	79%	0.79	S	S	*	*			trans	-134.2	75.5	145.3	-77.4	-161.7	178.2	-161.1	-0.2	110.1
423	Q	32.4	Very low	34	Very low	151 Å²	151	152.8 Å²	152.8	71%	0.706	79%	0.793	S	S	*	*			trans	-87.5	119.4	165.1	-171.7	176.2	2.2	0	0	108.8
424	R	32	Very low	33.7	Very low	241 Å²	241	152.6 Å²	152.6	91%	0.909	79%	0.791	S	S	*	*			trans	-130.9	111.8	156.9	-67	-173.3	-179.3	-168.6	-1.1	105.3
425	Q	31.3	Very low	33.7	Very low	128 Å²	128	146.9 Å²	146.9	60%	0.598	79%	0.788	S	S	*	*				56.5	75.7	58.6	-63.3	-70.5	2.8	0	0	112.4	S427	Q425-S427 PolarHBondContact OE1-OG 2.98Å
426	L	31.4	Very low	33.3	Very low	178 Å²	178	144.3 Å²	144.3	93%	0.932	79%	0.786	S	S	*	*			trans	-131.9	89	143.8	-78.5	-178.3	0	0	0	107.9
427	S	28.3	Very low	33.1	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	78%	0.781	S	S	*	*			trans	-88.3	176.4	166.4	-57.4	0	0	0	0	109.1	Q425	Q425-S427 PolarHBondContact OE1-OG 2.98Å
428	P	39.1	Very low	33	Very low	133 Å²	133	137.9 Å²	137.9	86%	0.864	78%	0.775	S	S	*	*				-132.5	167.5	-56	37.6	-24.7	0	0	0	112.1
429	G	33.6	Very low	32.8	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	78%	0.78	S	S	*	*			trans	179.2	158.1	158.9	0	0	0	0	0	111.6
430	S	32.9	Very low	32.7	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	78%	0.78	S	S	*	*			cis	177.6	139.9	-16.1	41.2	0	0	0	0	105.7
431	S	35.1	Very low	32.6	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	79%	0.788	S	S	*	*			trans	57.9	152.7	-177.7	41.6	0	0	0	0	116.1
432	S	37.3	Very low	32.2	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	80%	0.802	S	S	*	*			cis	160.2	132.4	-35.6	51.5	0	0	0	0	106.8
433	L	35.6	Very low	32.3	Very low	173 Å²	173	139.3 Å²	139.3	91%	0.906	80%	0.796	S	S	*	*			trans	65.4	109.7	158.5	-57.7	172.3	0	0	0	119.4
434	G	29.1	Very low	32.4	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	80%	0.795	S	S	*	*			trans	69.8	174.8	151.9	0	0	0	0	0	116.8
435	S	34.1	Very low	32.9	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	78%	0.784	S	S	*	*			cis	-166.3	158.1	-20.5	-97.9	0	0	0	0	107	L437	S435-L437 PolarHBondContact O-N 2.81Å; S435-L437 VanDerWaalsContact O-N 3.09Å
436	G	28.2	Very low	33.5	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	79%	0.788	S	S	*	*			trans	-75.4	94.7	172.1	0	0	0	0	0	112
437	L	34.1	Very low	33.8	Very low	155 Å²	155	134.5 Å²	134.5	81%	0.812	78%	0.778	S	S	*	*			trans	-161.7	147.4	155.1	-134.8	76.1	0	0	0	113	S435	S435-L437 PolarHBondContact O-N 2.81Å; S435-L437 VanDerWaalsContact O-N 3.09Å
438	M	32.5	Very low	34.4	Very low	155 Å²	155	134.6 Å²	134.6	76%	0.764	78%	0.778	S	S	*	*			trans	19.3	118.1	164.4	-60	-54.5	167.9	0	0	120.1
439	G	28.9	Very low	34.3	Very low	84 Å²	84	132 Å²	132	87%	0.866	76%	0.764	S	S	*	*			trans	-76.8	154	168.9	0	0	0	0	0	113.9
440	F	32.7	Very low	34.2	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.873	77%	0.766	S	S	*	*			trans	-117.2	133.6	173.7	-81.8	-90.1	0	0	0	112.1
441	R	28.5	Very low	34.5	Very low	234 Å²	234	138.2 Å²	138.2	88%	0.883	78%	0.776	S	S	*	*			trans	-96.5	136.6	163.6	-65.9	178.2	178.2	-116.3	6.9	109.5
442	R	28.7	Very low	35.1	Very low	241 Å²	241	137.3 Å²	137.3	91%	0.909	77%	0.767	S	S	*	*			trans	-173	134.2	131	-91.1	137.7	-162.8	-104.1	5	107.5
443	S	32.2	Very low	35.3	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	76%	0.759	S	S	*	*			cis	91.8	108.4	28.3	-173.8	0	0	0	0	113.6
444	E	36.1	Very low	35.3	Very low	148 Å²	148	131.1 Å²	131.1	69%	0.692	75%	0.747	S	S	*	*			trans	-145.7	147.4	156.9	-67.5	-141.3	149.9	0	0	107.6
445	R	41.8	Very low	35.5	Very low	177 Å²	177	134 Å²	134	67%	0.668	74%	0.744	S	S	*	*			cis	-165.3	143.5	-11.5	-116.4	-177.6	-149	-145.5	12.6	109.5
446	M	42.9	Very low	35.3	Very low	140 Å²	140	135 Å²	135	69%	0.69	74%	0.736	S	S	*	*			trans	63.8	149.9	157.6	-48.2	-63.1	177.7	0	0	118.9
447	N	38.3	Very low	35.4	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	72%	0.724	S	S	*	*			cis	-165.5	144.3	-27.1	-110.9	0.5	0	0	0	111.4
448	S	40.7	Very low	35.3	Very low	90 Å²	90	134.9 Å²	134.9	63%	0.629	72%	0.716	S	S	*	*			trans	66.2	153.9	153.1	-41.7	0	0	0	0	118.8
449	S	37	Very low	35.3	Very low	80 Å²	80	136 Å²	136	56%	0.559	71%	0.712	S	S	*	*			cis	-150.5	146.2	8	-32.6	0	0	0	0	113.8	P452	S449-P452 WeakPolarHBondContact O-CD 3.38Å
450	T	31.3	Very low	35.7	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	71%	0.707	S	S	*	*	S	Bend	trans	55.2	85.4	143.4	-41.9	0	0	0	0	121.7
451	L	40.8	Very low	35.7	Very low	176 Å²	176	134.4 Å²	134.4	92%	0.921	69%	0.694	S	S	*	*	S	Bend	cis	-117.8	62.8	-24	-70.6	168.8	0	0	0	111.7
452	P	47.2	Very low	35.9	Very low	95 Å²	95	129.2 Å²	129.2	62%	0.617	69%	0.688	S	S	*	*			trans	-116	-105.1	172.3	32.3	-7	0	0	0	106.5	S449	S449-P452 WeakPolarHBondContact O-CD 3.38Å
453	P	40.6	Very low	35.9	Very low	75 Å²	75	121.1 Å²	121.1	49%	0.487	68%	0.679	S	S	.	*				-105.5	-173.3	-59.8	23.8	-0.8	0	0	0	110.6
454	G	36.4	Very low	36	Very low	64 Å²	64	127.1 Å²	127.1	66%	0.66	69%	0.685	S	S	*	*			cis	-90.7	166.3	-21.6	0	0	0	0	0	110.7
455	L	32.4	Very low	35.8	Very low	131 Å²	131	131 Å²	131	69%	0.686	70%	0.695	S	S	*	*			cis	50.7	94.4	42.3	-58.1	-177	0	0	0	111.1
456	E	29.9	Very low	35.4	Very low	144 Å²	144	127.1 Å²	127.1	67%	0.673	70%	0.695	S	S	*	*				98.4	-174.4	99.8	-80.5	178.4	158.6	0	0	108.7
457	N	31.4	Very low	34.8	Very low	105 Å²	105	125.1 Å²	125.1	56%	0.561	69%	0.694	S	S	*	*			trans	71.2	133.6	141.2	-70.2	-39.6	0	0	0	117.4
458	I	30.8	Very low	34.7	Very low	126 Å²	126	129.1 Å²	129.1	65%	0.646	70%	0.699	S	S	*	*			cis	-133.9	124.7	29.5	-110.7	116.3	0	0	0	112.1
459	R	33.2	Very low	34.5	Very low	179 Å²	179	130 Å²	130	68%	0.675	71%	0.705	S	S	*	*			trans	48	145.4	133.2	-47	166	-169.1	158.3	4	119.9
460	Q	37.8	Very low	34.9	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	72%	0.718	S	S	*	*			cis	-104.9	136.8	-9.6	-71.1	85.6	14	0	0	109.2
461	S	31	Very low	35.4	Very low	84 Å²	84	131.7 Å²	131.7	59%	0.587	71%	0.714	S	S	*	*			cis	69.8	144.4	41.4	89.3	0	0	0	0	114.4
462	T	33.5	Very low	35.2	Very low	125 Å²	125	130.2 Å²	130.2	77%	0.767	71%	0.707	S	S	*	*			trans	42.7	109.6	152.1	53.9	0	0	0	0	117.5
463	G	29.7	Very low	35	Very low	70 Å²	70	131.4 Å²	131.4	72%	0.722	71%	0.712	S	S	*	*			cis	74.1	136.4	33.7	0	0	0	0	0	111.6
464	R	33.6	Very low	35	Very low	235 Å²	235	134.2 Å²	134.2	89%	0.887	73%	0.728	S	S	*	*			trans	81	77.9	-175.8	-53.2	-178.1	179.1	-170.7	0.8	117.5
465	Y	32.3	Very low	35.5	Very low	231 Å²	231	133.9 Å²	133.9	91%	0.906	73%	0.725	S	S	*	*				-120.4	123.2	118.6	-71.9	-79.3	0	0	0	104.6
466	S	31.8	Very low	36.3	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	73%	0.73	S	S	*	*			cis	58.9	108	45.9	-153	0	0	0	0	110.1
467	C	32.3	Very low	37.4	Very low	99 Å²	99	139.1 Å²	139.1	67%	0.669	73%	0.734	S	S	*	*				-144.4	146.3	59.7	-71.1	0	0	0	0	115.1
468	R	35.8	Very low	38.4	Very low	217 Å²	217	136.5 Å²	136.5	82%	0.819	73%	0.732	S	S	*	*			trans	54.2	120.4	132.6	-60.4	171.1	-172.5	-96.6	0.1	120
469	S	35.6	Very low	39.2	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	74%	0.738	S	S	*	*				58.2	128.3	117.5	-48.4	0	0	0	0	119.4
470	T	44.6	Very low	40.3	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	72%	0.723	S	S	*	*			cis	-139.9	-146.9	7.7	56.6	0	0	0	0	111.4
471	P	43.4	Very low	41.1	Very low	109 Å²	109	130.6 Å²	130.6	71%	0.708	72%	0.716	S	S	*	*			trans	-122.8	-175.3	-135.2	35.1	-10.4	0	0	0	116
472	N	37	Very low	42.2	Very low	144 Å²	144	131.9 Å²	131.9	77%	0.77	72%	0.715	S	S	*	*			trans	25.9	139	149.1	-84.9	-19.6	0	0	0	121.2
473	V	42.4	Very low	43.2	Very low	120 Å²	120	128.1 Å²	128.1	73%	0.727	70%	0.697	S	S	*	*			cis	-134.3	123.4	27.9	175.4	0	0	0	0	112.1	G475	V473-G475 VanDerWaalsContact C-N 3.28Å; V473-G475 PolarHBondContact O-N 2.73Å
474	T	40.3	Very low	44.3	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	69%	0.688	S	S	*	*			trans	28.7	36.8	158	65.6	0	0	0	0	120.8
475	G	47	Very low	45.1	Very low	57 Å²	57	122.6 Å²	122.6	59%	0.588	67%	0.671	S	S	*	*			trans	-77.3	150.4	170.6	0	0	0	0	0	113.6	V473	V473-G475 VanDerWaalsContact C-N 3.28Å; V473-G475 PolarHBondContact O-N 2.73Å
476	K	50.2	Low	46	Very low	181 Å²	181	118.5 Å²	118.5	79%	0.787	66%	0.664	S	S	*	*	S	Bend	trans	52	60.8	159.5	-58.3	177.5	-178.6	174.5	0	116.5	T480	K476-T480 PolarHBondContact O-OG1 2.95Å; K476-T480 VanDerWaalsContact O-OG1 3.12Å
477	R	52.8	Low	47.2	Very low	204 Å²	204	119.7 Å²	119.7	77%	0.77	67%	0.667	S	S	*	*	S	Bend	trans	-108.4	-28.7	153.5	-74.9	-166.3	178	-163.8	-0.3	115.1	T480 Q481	R477-T480 WeakPolarHBondContact CA-OG1 3.28Å; R477-T480 PolarHBondContact O-OG1 3.43Å; R477-Q481 WeakPolarHBondContact O-CB 3.39Å; R477-Q481 WeakPolarHBondContact O-CG 3.41Å; R477-Q481 PolarHBondContact O-N 3.21Å
478	G	50.9	Low	47.7	Very low	51 Å²	51	123.9 Å²	123.9	53%	0.526	67%	0.669	S	S	.	*	H	α-helix	trans	-65.4	-51.4	176.4	0	0	0	0	0	113.7	T480 Q481 L482	G478-T480 VanDerWaalsContact C-N 3.32Å; G478-T480 PolarHBondContact O-N 3.36Å; G478-Q481 PolarHBondContact O-N 3.01Å; G478-L482 PolarHBondContact O-N 2.99Å
479	M	48.9	Very low	47.8	Very low	153 Å²	153	119 Å²	119	75%	0.754	67%	0.665	S	S	*	*	H	α-helix	trans	-67.7	-28	177.3	-81.1	178.1	70.6	0	0	113.6	A483	M479-A483 WeakPolarHBondContact O-CB 3.17Å; M479-A483 PolarHBondContact O-N 2.75Å
480	T	56.6	Low	47.6	Very low	61 Å²	61	125 Å²	125	37%	0.374	67%	0.671	S	S	.	*	H	α-helix	trans	-80.1	-32.6	175.9	51.1	0	0	0	0	112.2	K476 R477 G478 L482 A483 E484	K476-T480 PolarHBondContact O-OG1 2.95Å; K476-T480 VanDerWaalsContact O-OG1 3.12Å; R477-T480 WeakPolarHBondContact CA-OG1 3.28Å; R477-T480 PolarHBondContact O-OG1 3.43Å; G478-T480 VanDerWaalsContact C-N 3.32Å; G478-T480 PolarHBondContact O-N 3.36Å; T480-L482 VanDerWaalsContact C-N 3.31Å; T480-A483 CarbonylContact O-C 3.57Å; T480-A483 PolarHBondContact O-N 2.69Å; T480-E484 WeakPolarHBondContact O-CB 3.35Å; T480-E484 WeakPolarHBondContact O-CG 3.46Å; T480-E484 PolarHBondContact O-N 2.88Å
481	Q	53.8	Low	47.6	Very low	131 Å²	131	125 Å²	125	61%	0.612	67%	0.671	S	S	*	*	H	α-helix	trans	-67.2	-32.6	168.6	-75.7	179.2	-14.6	0	0	112.2	R477 G478 S485	R477-Q481 WeakPolarHBondContact O-CB 3.39Å; R477-Q481 WeakPolarHBondContact O-CG 3.41Å; R477-Q481 PolarHBondContact O-N 3.21Å; G478-Q481 PolarHBondContact O-N 3.01Å; Q481-S485 WeakPolarHBondContact O-CB 3.22Å; Q481-S485 PolarHBondContact O-N 3.13Å; Q481-S485 PolarHBondContact O-OG 3.37Å
482	L	53.5	Low	47.1	Very low	111 Å²	111	124.9 Å²	124.9	58%	0.581	66%	0.664	S	S	*	*	H	α-helix	trans	-67.9	-39.8	167.2	-79	167	0	0	0	112.3	G478 T480 S485 L486	G478-L482 PolarHBondContact O-N 2.99Å; T480-L482 VanDerWaalsContact C-N 3.31Å; L482-S485 PolarHBondContact O-N 3.38Å; L482-S485 PolarHBondContact O-OG 3.07Å; L482-L486 WeakPolarHBondContact O-CD1 3.37Å; L482-L486 VanDerWaalsContact O-CG 3.26Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 2.81Å; L482-L486 VanDerWaalsContact O-N 3.12Å
483	A	55.4	Low	47.2	Very low	46 Å²	46	130.2 Å²	130.2	38%	0.38	67%	0.673	S	S	.	*	H	α-helix	trans	-66.1	-41.3	174.6	0	0	0	0	0	112.1	M479 T480 L486 V487	M479-A483 WeakPolarHBondContact O-CB 3.17Å; M479-A483 PolarHBondContact O-N 2.75Å; T480-A483 CarbonylContact O-C 3.57Å; T480-A483 PolarHBondContact O-N 2.69Å; A483-L486 CarbonylContact O-C 3.56Å; A483-L486 WeakPolarHBondContact O-CA 3.25Å; A483-L486 PolarHBondContact O-N 3.01Å; A483-L486 VanDerWaalsContact O-N 3.12Å; A483-V487 VanDerWaalsContact O-CB 3.3Å; A483-V487 WeakPolarHBondContact O-CB 3.44Å; A483-V487 VanDerWaalsContact O-CG2 3.29Å; A483-V487 WeakPolarHBondContact O-CG2 3.46Å; A483-V487 PolarHBondContact O-N 2.84Å
484	E	51.8	Low	47.1	Very low	112 Å²	112	130.3 Å²	130.3	52%	0.523	68%	0.675	S	S	.	*	H	α-helix	trans	-68.9	-30.5	174.8	-74.3	-175.5	92.7	0	0	112.3	T480 L486 V487 R488	T480-E484 WeakPolarHBondContact O-CB 3.35Å; T480-E484 WeakPolarHBondContact O-CG 3.46Å; T480-E484 PolarHBondContact O-N 2.88Å; E484-L486 PolarHBondContact O-N 2.85Å; E484-V487 PolarHBondContact O-N 3.26Å; E484-R488 VanDerWaalsContact O-CB 3.29Å; E484-R488 WeakPolarHBondContact O-CB 3.25Å; E484-R488 WeakPolarHBondContact O-CG 3.41Å; E484-R488 PolarHBondContact O-N 2.83Å
485	S	51.4	Low	47.4	Very low	78 Å²	78	127.4 Å²	127.4	55%	0.545	66%	0.664	S	S	.	*	H	α-helix	trans	-71.5	-20.1	170.5	76.5	0	0	0	0	113.1	Q481 L482	Q481-S485 WeakPolarHBondContact O-CB 3.22Å; Q481-S485 PolarHBondContact O-N 3.13Å; Q481-S485 PolarHBondContact O-OG 3.37Å; L482-S485 PolarHBondContact O-N 3.38Å; L482-S485 PolarHBondContact O-OG 3.07Å
486	L	51	Low	47.6	Very low	145 Å²	145	127.4 Å²	127.4	76%	0.759	66%	0.655	S	S	*	*	H	α-helix	trans	-93.6	-18.4	173.8	-68.8	167.2	0	0	0	114	L482 A483 E484	L482-L486 WeakPolarHBondContact O-CD1 3.37Å; L482-L486 VanDerWaalsContact O-CG 3.26Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 2.81Å; L482-L486 VanDerWaalsContact O-N 3.12Å; A483-L486 CarbonylContact O-C 3.56Å; A483-L486 WeakPolarHBondContact O-CA 3.25Å; A483-L486 PolarHBondContact O-N 3.01Å; A483-L486 VanDerWaalsContact O-N 3.12Å; E484-L486 PolarHBondContact O-N 2.85Å
487	V	56.7	Low	47.8	Very low	119 Å²	119	122.2 Å²	122.2	72%	0.721	64%	0.64	S	S	*	*	H	α-helix	trans	-113.4	-13.6	-175.9	174.9	0	0	0	0	113.1	A483 E484	A483-V487 VanDerWaalsContact O-CB 3.3Å; A483-V487 WeakPolarHBondContact O-CB 3.44Å; A483-V487 VanDerWaalsContact O-CG2 3.29Å; A483-V487 WeakPolarHBondContact O-CG2 3.46Å; A483-V487 PolarHBondContact O-N 2.84Å; E484-V487 PolarHBondContact O-N 3.26Å
488	R	42.1	Very low	48.1	Very low	187 Å²	187	117.4 Å²	117.4	71%	0.706	64%	0.635	S	S	*	*	S	Bend	trans	-51.4	136	161	-89.2	171.1	178.8	-112.5	-5.3	108.9	E484 R490	E484-R488 VanDerWaalsContact O-CB 3.29Å; E484-R488 WeakPolarHBondContact O-CB 3.25Å; E484-R488 WeakPolarHBondContact O-CG 3.41Å; E484-R488 PolarHBondContact O-N 2.83Å; R488-R490 PolarHBondContact O-N 3.12Å
489	P	38.9	Very low	49	Very low	113 Å²	113	118.8 Å²	118.8	73%	0.734	64%	0.637	S	S	*	*			trans	-50.9	140	174.1	-25.7	33.8	0	0	0	109.8	V491	P489-V491 PolarHBondContact O-N 2.83Å
490	R	31.7	Very low	49.9	Very low	235 Å²	235	112.5 Å²	112.5	89%	0.887	61%	0.609	S	S	*	*			trans	-63.4	97.5	164	-73.2	-172.6	175.9	114.2	2.6	106.6	R488 D492	R488-R490 PolarHBondContact O-N 3.12Å; R490-D492 PolarHBondContact O-N 2.94Å; R490-D492 VanDerWaalsContact O-N 3.12Å
491	V	43	Very low	50.8	Low	134 Å²	134	113.3 Å²	113.3	81%	0.812	61%	0.614	S	S	*	*			trans	-57.3	117.5	161	177.9	0	0	0	0	105.1	P489 R493	P489-V491 PolarHBondContact O-N 2.83Å; V491-R493 PolarHBondContact O-N 3.19Å
492	D	33.8	Very low	51.9	Low	107 Å²	107	112.2 Å²	112.2	57%	0.572	61%	0.612	S	S	*	*			trans	-60	110.7	-162.8	-84	-46.8	0	0	0	111.6	R490 T494 A495	R490-D492 PolarHBondContact O-N 2.94Å; R490-D492 VanDerWaalsContact O-N 3.12Å; D492-T494 WeakPolarHBondContact CB-OG1 3.09Å; D492-T494 PolarHBondContact O-N 2.85Å; D492-T494 PolarHBondContact OD1-OG1 2.97Å; D492-A495 WeakPolarHBondContact O-CB 3.22Å; D492-A495 PolarHBondContact O-N 3.43Å
493	R	38.6	Very low	53	Low	255 Å²	255	113.7 Å²	113.7	96%	0.962	61%	0.611	S	S	*	*	S	Bend	trans	-67	-6.4	162.6	-85.6	-173.3	167.5	-176	-4.3	111.8	V491 A495	V491-R493 PolarHBondContact O-N 3.19Å; R493-A495 PolarHBondContact O-N 2.93Å
494	T	41.4	Very low	53.9	Low	123 Å²	123	119.1 Å²	119.1	76%	0.755	62%	0.622	S	S	*	*			trans	-80.9	39	160.9	49.5	0	0	0	0	112.4	D492	D492-T494 WeakPolarHBondContact CB-OG1 3.09Å; D492-T494 PolarHBondContact O-N 2.85Å; D492-T494 PolarHBondContact OD1-OG1 2.97Å
495	A	45.5	Very low	55.1	Low	72 Å²	72	116.3 Å²	116.3	60%	0.595	61%	0.614	S	S	*	*			trans	-125.7	62.4	168.6	0	0	0	0	0	109.7	D492 R493	D492-A495 WeakPolarHBondContact O-CB 3.22Å; D492-A495 PolarHBondContact O-N 3.43Å; R493-A495 PolarHBondContact O-N 2.93Å
496	S	51.4	Low	56.3	Low	57 Å²	57	117.3 Å²	117.3	40%	0.399	61%	0.61	S	S	.	*			trans	-54.9	135.6	149.9	61.1	0	0	0	0	107
497	P	54.4	Low	57.5	Low	72 Å²	72	112.4 Å²	112.4	47%	0.468	59%	0.591	S	S	.	*			trans	-55.4	157.4	-172.3	22.8	-34.1	0	0	0	111.2	S499 A500 T501	P497-S499 PolarHBondContact O-N 2.59Å; P497-S499 VanDerWaalsContact O-N 3.08Å; P497-A500 HydrophobicContact CG-CB 3.85Å; P497-A500 WeakPolarHBondContact O-CA 3.17Å; P497-A500 WeakPolarHBondContact O-CB 3.39Å; P497-A500 PolarHBondContact O-N 3.19Å; P497-T501 PolarHBondContact O-N 3.22Å
498	P	59.8	Low	58.5	Low	104 Å²	104	113.5 Å²	113.5	68%	0.675	58%	0.582	S	S	*	*	H	α-helix	trans	-54.8	-32.9	179.5	20.3	-31.7	0	0	0	111.9	A500 T501 L502	P498-A500 PolarHBondContact O-N 3.01Å; P498-T501 PolarHBondContact O-N 2.7Å; P498-L502 WeakPolarHBondContact O-CB 3.09Å; P498-L502 VanDerWaalsContact O-CG 3.27Å; P498-L502 WeakPolarHBondContact O-CG 3.39Å; P498-L502 PolarHBondContact O-N 3.34Å
499	S	69.1	Low	60.1	Low	79 Å²	79	112 Å²	112	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-59.2	-38.6	169.6	53.2	0	0	0	0	114.2	P497 Y503	P497-S499 PolarHBondContact O-N 2.59Å; P497-S499 VanDerWaalsContact O-N 3.08Å; S499-Y503 VanDerWaalsContact O-CB 3.25Å; S499-Y503 WeakPolarHBondContact O-CB 3.48Å; S499-Y503 PolarHBondContact O-N 3.05Å
500	A	68.6	Low	61.9	Low	22 Å²	22	108.6 Å²	108.6	18%	0.182	55%	0.552	C	S	.	*	H	α-helix	trans	-73.7	-35.4	174.7	0	0	0	0	0	112	P497 P498 L502 Y503 W504	P497-A500 HydrophobicContact CG-CB 3.85Å; P497-A500 WeakPolarHBondContact O-CA 3.17Å; P497-A500 WeakPolarHBondContact O-CB 3.39Å; P497-A500 PolarHBondContact O-N 3.19Å; P498-A500 PolarHBondContact O-N 3.01Å; A500-L502 VanDerWaalsContact C-N 3.33Å; A500-Y503 PolarHBondContact O-N 3.42Å; A500-W504 WeakPolarHBondContact O-CB 3.48Å; A500-W504 PolarHBondContact O-N 3.09Å
501	T	74.9	Confident	64.1	Low	78 Å²	78	101.3 Å²	101.3	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-65.5	-40	173	-55.6	0	0	0	0	111	P497 P498 S505	P497-T501 PolarHBondContact O-N 3.22Å; P498-T501 PolarHBondContact O-N 2.7Å; T501-S505 WeakPolarHBondContact O-CB 3.5Å; T501-S505 PolarHBondContact O-N 2.76Å
502	L	77.2	Confident	65.7	Low	108 Å²	108	99.1 Å²	99.1	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-50.8	171.1	-72.8	168	0	0	0	110.8	P498 A500 W504 S505 E506	P498-L502 WeakPolarHBondContact O-CB 3.09Å; P498-L502 VanDerWaalsContact O-CG 3.27Å; P498-L502 WeakPolarHBondContact O-CG 3.39Å; P498-L502 PolarHBondContact O-N 3.34Å; A500-L502 VanDerWaalsContact C-N 3.33Å; L502-W504 PolarHBondContact O-N 3.02Å; L502-S505 CarbonylContact O-C 3.58Å; L502-S505 WeakPolarHBondContact O-CA 3.36Å; L502-S505 WeakPolarHBondContact O-CB 3.41Å; L502-S505 PolarHBondContact O-N 3.16Å; L502-S505 PolarHBondContact O-OG 3.24Å; L502-E506 WeakPolarHBondContact O-CB 3.32Å; L502-E506 PolarHBondContact O-N 3.06Å
503	Y	75.3	Confident	67.6	Low	142 Å²	142	97.3 Å²	97.3	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-55.5	-44.8	175.9	-175.5	-93.4	0	0	0	112.8	S499 A500 S505 E506 A507	S499-Y503 VanDerWaalsContact O-CB 3.25Å; S499-Y503 WeakPolarHBondContact O-CB 3.48Å; S499-Y503 PolarHBondContact O-N 3.05Å; A500-Y503 PolarHBondContact O-N 3.42Å; Y503-S505 VanDerWaalsContact C-N 3.27Å; Y503-S505 PolarHBondContact O-N 3.23Å; Y503-E506 PolarHBondContact O-N 3.39Å; Y503-A507 VanDerWaalsContact O-CB 3.26Å; Y503-A507 WeakPolarHBondContact O-CB 3.27Å; Y503-A507 PolarHBondContact O-N 2.8Å
504	W	75.9	Confident	69.2	Low	160 Å²	160	90.9 Å²	90.9	61%	0.606	51%	0.511	S	S	*	.	H	α-helix	trans	-70.7	-17.7	173.8	-69.1	123.2	0	0	0	113.7	A500 L502 R508	A500-W504 WeakPolarHBondContact O-CB 3.48Å; A500-W504 PolarHBondContact O-N 3.09Å; L502-W504 PolarHBondContact O-N 3.02Å; W504-R508 WeakPolarHBondContact O-CG 3.39Å; W504-R508 PolarHBondContact O-NE 3.47Å
505	S	76.2	Confident	70.7	Confident	52 Å²	52	91.6 Å²	91.6	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-84.9	-35.3	170.1	79.6	0	0	0	0	112	T501 L502 Y503 R508 R509	T501-S505 WeakPolarHBondContact O-CB 3.5Å; T501-S505 PolarHBondContact O-N 2.76Å; L502-S505 CarbonylContact O-C 3.58Å; L502-S505 WeakPolarHBondContact O-CA 3.36Å; L502-S505 WeakPolarHBondContact O-CB 3.41Å; L502-S505 PolarHBondContact O-N 3.16Å; L502-S505 PolarHBondContact O-OG 3.24Å; Y503-S505 VanDerWaalsContact C-N 3.27Å; Y503-S505 PolarHBondContact O-N 3.23Å; S505-R508 WeakPolarHBondContact O-CB 3.48Å; S505-R508 PolarHBondContact O-N 2.91Å; S505-R509 WeakPolarHBondContact O-CB 3.23Å; S505-R509 PolarHBondContact O-N 3.3Å
506	E	76.8	Confident	71.9	Confident	100 Å²	100	90.9 Å²	90.9	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-73.2	-47.4	178.8	-169.8	131.9	-122.2	0	0	110.5	L502 Y503 R508 R509 L510	L502-E506 WeakPolarHBondContact O-CB 3.32Å; L502-E506 PolarHBondContact O-N 3.06Å; Y503-E506 PolarHBondContact O-N 3.39Å; E506-R508 PolarHBondContact O-N 2.93Å; E506-R509 CarbonylContact O-C 3.55Å; E506-R509 WeakPolarHBondContact O-CA 3.26Å; E506-R509 WeakPolarHBondContact O-CB 2.95Å; E506-R509 PolarHBondContact O-N 2.74Å; E506-L510 HydrophobicContact CG-CD1 4.17Å; E506-L510 HydrophobicContact CG-CG 4.44Å; E506-L510 WeakPolarHBondContact O-CB 3.17Å; E506-L510 VanDerWaalsContact O-CG 3.32Å; E506-L510 WeakPolarHBondContact O-CG 3.47Å; E506-L510 PolarHBondContact O-N 2.84Å
507	A	77.1	Confident	72.8	Confident	42 Å²	42	96.3 Å²	96.3	35%	0.347	52%	0.516	S	S	.	.	H	α-helix	trans	-55.9	-37.1	169.7	0	0	0	0	0	112.3	Y503 A511	Y503-A507 VanDerWaalsContact O-CB 3.26Å; Y503-A507 WeakPolarHBondContact O-CB 3.27Å; Y503-A507 PolarHBondContact O-N 2.8Å; A507-A511 WeakPolarHBondContact O-CB 3.21Å; A507-A511 PolarHBondContact O-N 2.95Å
508	R	76	Confident	73.6	Confident	141 Å²	141	97 Å²	97	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-68.6	-33.8	172.2	-83.9	-176.2	-71.5	163.4	-1.9	113.1	W504 S505 E506	W504-R508 WeakPolarHBondContact O-CG 3.39Å; W504-R508 PolarHBondContact O-NE 3.47Å; S505-R508 WeakPolarHBondContact O-CB 3.48Å; S505-R508 PolarHBondContact O-N 2.91Å; E506-R508 PolarHBondContact O-N 2.93Å
509	R	75.7	Confident	73.9	Confident	157 Å²	157	96 Å²	96	59%	0.592	51%	0.509	S	S	*	.	H	α-helix	trans	-75.9	-31	177.1	-167.6	-176.8	-160.5	160.4	5.3	112.8	S505 E506 S512 F513	S505-R509 WeakPolarHBondContact O-CB 3.23Å; S505-R509 PolarHBondContact O-N 3.3Å; E506-R509 CarbonylContact O-C 3.55Å; E506-R509 WeakPolarHBondContact O-CA 3.26Å; E506-R509 WeakPolarHBondContact O-CB 2.95Å; E506-R509 PolarHBondContact O-N 2.74Å; R509-S512 PolarHBondContact O-OG 3.07Å; R509-F513 VanDerWaalsContact O-CD2 3.23Å; R509-F513 WeakPolarHBondContact O-CD2 3.19Å; R509-F513 WeakPolarHBondContact O-CE2 3.12Å
510	L	78.3	Confident	73.9	Confident	41 Å²	41	98.3 Å²	98.3	22%	0.215	52%	0.515	C	S	.	.	H	α-helix	trans	-80.5	-35.1	175.9	-65.1	177.4	0	0	0	111.1	E506 S512 F513 L518	E506-L510 HydrophobicContact CG-CD1 4.17Å; E506-L510 HydrophobicContact CG-CG 4.44Å; E506-L510 WeakPolarHBondContact O-CB 3.17Å; E506-L510 VanDerWaalsContact O-CG 3.32Å; E506-L510 WeakPolarHBondContact O-CG 3.47Å; E506-L510 PolarHBondContact O-N 2.84Å; L510-S512 PolarHBondContact O-N 2.97Å; L510-S512 VanDerWaalsContact O-N 3.14Å; L510-F513 PolarHBondContact O-N 3.25Å; L510-L518 HydrophobicContact CD2-CD1 3.61Å; L510-L518 HydrophobicContact CD2-CG 4.28Å
511	A	76.6	Confident	74.1	Confident	82 Å²	82	103.2 Å²	103.2	68%	0.678	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.3	177.1	0	0	0	0	0	115.2	A507 F513	A507-A511 WeakPolarHBondContact O-CB 3.21Å; A507-A511 PolarHBondContact O-N 2.95Å; A511-F513 VanDerWaalsContact C-N 3.34Å
512	S	76.1	Confident	74.1	Confident	88 Å²	88	106.9 Å²	106.9	62%	0.615	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-7.4	168.3	48.8	0	0	0	0	114	R509 L510	R509-S512 PolarHBondContact O-OG 3.07Å; L510-S512 PolarHBondContact O-N 2.97Å; L510-S512 VanDerWaalsContact O-N 3.14Å
513	F	74.2	Confident	73.7	Confident	69 Å²	69	104.2 Å²	104.2	30%	0.303	56%	0.555	S	S	.	*	S	Bend	trans	-109.2	135.2	175.2	-57.9	-74	0	0	0	110.1	R509 L510 A511 N515 A516 R517 L518 P519	R509-F513 VanDerWaalsContact O-CD2 3.23Å; R509-F513 WeakPolarHBondContact O-CD2 3.19Å; R509-F513 WeakPolarHBondContact O-CE2 3.12Å; L510-F513 PolarHBondContact O-N 3.25Å; A511-F513 VanDerWaalsContact C-N 3.34Å; F513-N515 PolarHBondContact O-N 3.27Å; F513-N515 VanDerWaalsContact O-N 3.09Å; F513-A516 PolarHBondContact O-N 3.31Å; F513-R517 VanDerWaalsContact CB-O 3.28Å; F513-R517 WeakPolarHBondContact CB-O 3.43Å; F513-L518 HydrophobicContact CE2-CD2 4.48Å; F513-L518 HydrophobicContact CE2-CG 4.12Å; F513-P519 HydrophobicContact CE1-CG 4.2Å
514	P	73.6	Confident	73.2	Confident	120 Å²	120	105.1 Å²	105.1	78%	0.779	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-24	-170.6	24.1	-34.5	0	0	0	114.3
515	N	72.8	Confident	72.5	Confident	137 Å²	137	102.9 Å²	102.9	73%	0.733	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	11.2	-179.8	-65.9	-12.4	0	0	0	113.5	F513 R517	F513-N515 PolarHBondContact O-N 3.27Å; F513-N515 VanDerWaalsContact O-N 3.09Å; N515-R517 PolarHBondContact O-N 3Å
516	A	70.7	Confident	71.7	Confident	58 Å²	58	104.5 Å²	104.5	48%	0.479	59%	0.591	S	S	.	*	S	Bend	trans	52.6	24	-177.9	0	0	0	0	0	115.8	F513	F513-A516 PolarHBondContact O-N 3.31Å
517	R	69.7	Low	71	Confident	170 Å²	170	107.3 Å²	107.3	64%	0.642	61%	0.607	S	S	*	*	S	Bend	trans	-124.5	150.5	169.6	-67.9	-174.4	176.6	-172.1	-1.9	108.5	F513 N515	F513-R517 VanDerWaalsContact CB-O 3.28Å; F513-R517 WeakPolarHBondContact CB-O 3.43Å; N515-R517 PolarHBondContact O-N 3Å
518	L	71.9	Confident	69.9	Low	87 Å²	87	110.3 Å²	110.3	46%	0.455	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-66.5	147.3	165.8	-65.9	99.5	0	0	0	109	L510 F513 D520	L510-L518 HydrophobicContact CD2-CD1 3.61Å; L510-L518 HydrophobicContact CD2-CG 4.28Å; F513-L518 HydrophobicContact CE2-CD2 4.48Å; F513-L518 HydrophobicContact CE2-CG 4.12Å; L518-D520 PolarHBondContact O-N 3.13Å
519	P	65.5	Low	68.9	Low	83 Å²	83	112.8 Å²	112.8	54%	0.539	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-66.2	121.3	171.8	26.5	-32.8	0	0	0	110.2	F513 S523	F513-P519 HydrophobicContact CE1-CG 4.2Å; P519-S523 WeakPolarHBondContact CA-OG 3.31Å; P519-S523 WeakPolarHBondContact CB-OG 3.49Å
520	D	69.7	Low	68	Low	127 Å²	127	114.3 Å²	114.3	68%	0.679	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-60.2	153.3	168.1	-66	-49.9	0	0	0	110.1	L518 N522 S523	L518-D520 PolarHBondContact O-N 3.13Å; D520-N522 PolarHBondContact O-N 3.14Å; D520-S523 PolarHBondContact N-OG 3.16Å; D520-S523 WeakPolarHBondContact O-CB 3.28Å; D520-S523 PolarHBondContact O-N 2.93Å; D520-S523 PolarHBondContact O-OG 2.89Å
521	S	72.4	Confident	67.2	Low	125 Å²	125	119 Å²	119	87%	0.874	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-13.9	-177.3	56.4	0	0	0	0	115
522	N	73.6	Confident	65.8	Low	155 Å²	155	123.9 Å²	123.9	83%	0.829	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-2.5	175.1	-64.7	2.9	0	0	0	113.2	D520	D520-N522 PolarHBondContact O-N 3.14Å
523	S	69.4	Low	65.1	Low	53 Å²	53	124.4 Å²	124.4	37%	0.371	67%	0.667	S	S	.	*	S	Bend	trans	-76.1	138.8	176.2	67.5	0	0	0	0	110.4	P519 D520	P519-S523 WeakPolarHBondContact CA-OG 3.31Å; P519-S523 WeakPolarHBondContact CB-OG 3.49Å; D520-S523 PolarHBondContact N-OG 3.16Å; D520-S523 WeakPolarHBondContact O-CB 3.28Å; D520-S523 PolarHBondContact O-N 2.93Å; D520-S523 PolarHBondContact O-OG 2.89Å
524	L	66	Low	64.6	Low	161 Å²	161	124.9 Å²	124.9	84%	0.843	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-62.2	139	177.5	-67.7	174.1	0	0	0	109.8	A526	L524-A526 PolarHBondContact O-N 3.02Å
525	P	61.4	Low	64.4	Low	113 Å²	113	124.7 Å²	124.7	73%	0.734	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-57.6	136.1	172.6	26.1	-33.9	0	0	0	109	I527	P525-I527 PolarHBondContact O-N 3.4Å
526	A	59.1	Low	64.4	Low	85 Å²	85	121 Å²	121	70%	0.702	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-55.5	131.2	175.1	0	0	0	0	0	109.1	L524 D528	L524-A526 PolarHBondContact O-N 3.02Å; A526-D528 VanDerWaalsContact C-N 3.27Å; A526-D528 PolarHBondContact O-N 3.29Å
527	I	60.8	Low	64.4	Low	159 Å²	159	121.1 Å²	121.1	82%	0.815	66%	0.663	S	S	*	*			trans	-70.7	92.5	175	-58.1	176.6	0	0	0	106.9	P525 R529	P525-I527 PolarHBondContact O-N 3.4Å; I527-R529 PolarHBondContact O-N 3.49Å
528	D	55.4	Low	64.7	Low	105 Å²	105	118 Å²	118	56%	0.561	67%	0.665	S	S	*	*			trans	-71.4	92.1	-178	-151.9	-6.4	0	0	0	108.8	A526 Y530	A526-D528 VanDerWaalsContact C-N 3.27Å; A526-D528 PolarHBondContact O-N 3.29Å; D528-Y530 HydrophobicContact CB-CD2 4.1Å; D528-Y530 HydrophobicContact CB-CE2 3.75Å; D528-Y530 VanDerWaalsContact O-CD2 3.31Å; D528-Y530 WeakPolarHBondContact O-CD2 3.45Å; D528-Y530 PolarHBondContact O-N 3.14Å; D528-Y530 PolarHBondContact OD2-OH 2.74Å; D528-Y530 VanDerWaalsContact OD2-OH 3.13Å
529	R	54.7	Low	64.7	Low	194 Å²	194	116.8 Å²	116.8	73%	0.732	67%	0.668	S	S	*	*			trans	-73.4	77.9	177.5	-89.6	-176.4	160.2	172.7	-5.5	109.3	I527 D531 F532	I527-R529 PolarHBondContact O-N 3.49Å; R529-D531 PolarHBondContact O-N 3.12Å; R529-F532 PolarHBondContact O-N 3.09Å
530	Y	56.9	Low	65.1	Low	188 Å²	188	115.6 Å²	115.6	74%	0.737	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-15.6	177.4	-81.7	-74.5	0	0	0	114.4	D528 F532	D528-Y530 HydrophobicContact CB-CD2 4.1Å; D528-Y530 HydrophobicContact CB-CE2 3.75Å; D528-Y530 VanDerWaalsContact O-CD2 3.31Å; D528-Y530 WeakPolarHBondContact O-CD2 3.45Å; D528-Y530 PolarHBondContact O-N 3.14Å; D528-Y530 PolarHBondContact OD2-OH 2.74Å; D528-Y530 VanDerWaalsContact OD2-OH 3.13Å; Y530-F532 VanDerWaalsContact C-N 3.31Å; Y530-F532 PolarHBondContact O-N 3.39Å
531	D	60.9	Low	65.5	Low	140 Å²	140	112.7 Å²	112.7	75%	0.749	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-6.7	-176.3	-54.1	-63.4	0	0	0	115.7	R529	R529-D531 PolarHBondContact O-N 3.12Å
532	F	48.1	Very low	65.4	Low	184 Å²	184	112.3 Å²	112.3	81%	0.807	63%	0.631	S	S	*	*			trans	-123.5	94.2	176	-91.9	-87.4	0	0	0	112.6	R529 Y530 A534	R529-F532 PolarHBondContact O-N 3.09Å; Y530-F532 VanDerWaalsContact C-N 3.31Å; Y530-F532 PolarHBondContact O-N 3.39Å; F532-A534 PolarHBondContact O-N 2.97Å
533	P	60.8	Low	65.4	Low	99 Å²	99	109.9 Å²	109.9	64%	0.643	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-64.1	120.4	171	26.7	-33.3	0	0	0	109.5
534	A	63.3	Low	65.6	Low	80 Å²	80	111 Å²	111	66%	0.661	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-52	136.4	-179.4	0	0	0	0	0	111.3	F532	F532-A534 PolarHBondContact O-N 2.97Å
535	P	69.3	Low	66.1	Low	115 Å²	115	109.1 Å²	109.1	75%	0.747	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58	136.9	-175.4	22.7	-33.3	0	0	0	110.2	S537	P535-S537 PolarHBondContact O-N 3.14Å
536	P	72	Confident	66.7	Low	60 Å²	60	111.5 Å²	111.5	39%	0.39	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-56.6	129.9	-177.4	23.1	-33.2	0	0	0	109.8	V540 V541	P536-V540 HydrophobicContact CB-CB 4.21Å; P536-V540 HydrophobicContact CB-CG1 3.9Å; P536-V541 HydrophobicContact CB-CG2 3.92Å; P536-V541 HydrophobicContact CG-CG2 3.71Å; P536-V541 WeakPolarHBondContact O-CG2 3.4Å
537	S	72.4	Confident	67.3	Low	60 Å²	60	110 Å²	110	42%	0.42	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-55.6	150.4	-178.1	72.9	0	0	0	0	110.9	P535 A539 V540 V541	P535-S537 PolarHBondContact O-N 3.14Å; S537-A539 PolarHBondContact O-N 3.05Å; S537-V540 WeakPolarHBondContact O-CA 3.42Å; S537-V540 WeakPolarHBondContact O-CB 3.44Å; S537-V540 PolarHBondContact O-N 2.86Å; S537-V541 PolarHBondContact O-N 3.35Å; S537-V541 VanDerWaalsContact O-N 3.07Å
538	P	75.6	Confident	67.7	Low	105 Å²	105	107.9 Å²	107.9	68%	0.682	56%	0.561	S	S	*	*	H	α-helix	trans	-54.6	-26.6	-179.5	-29	36.1	0	0	0	114	M542	P538-M542 VanDerWaalsContact O-CB 3.22Å; P538-M542 WeakPolarHBondContact O-CB 3.44Å; P538-M542 WeakPolarHBondContact O-CG 3.27Å; P538-M542 PolarHBondContact O-N 3.23Å
539	A	71.6	Confident	68.4	Low	62 Å²	62	109.9 Å²	109.9	51%	0.512	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-43.7	172.2	0	0	0	0	0	112.8	S537 M542 I543	S537-A539 PolarHBondContact O-N 3.05Å; A539-M542 PolarHBondContact O-N 3.06Å; A539-I543 WeakPolarHBondContact O-CB 3.45Å; A539-I543 WeakPolarHBondContact O-CD1 3.43Å; A539-I543 WeakPolarHBondContact O-CG1 3.33Å; A539-I543 PolarHBondContact O-N 3.26Å
540	V	74.8	Confident	69.1	Low	58 Å²	58	107.1 Å²	107.1	35%	0.352	56%	0.555	S	S	.	*	H	α-helix	trans	-63.4	-51.9	175.3	172.3	0	0	0	0	109.9	P536 S537 M542 I543 D544	P536-V540 HydrophobicContact CB-CB 4.21Å; P536-V540 HydrophobicContact CB-CG1 3.9Å; S537-V540 WeakPolarHBondContact O-CA 3.42Å; S537-V540 WeakPolarHBondContact O-CB 3.44Å; S537-V540 PolarHBondContact O-N 2.86Å; V540-M542 PolarHBondContact O-N 3.17Å; V540-I543 WeakPolarHBondContact O-CA 3.49Å; V540-I543 WeakPolarHBondContact O-CB 3.18Å; V540-I543 PolarHBondContact O-N 3.13Å; V540-D544 VanDerWaalsContact CG1-OD2 3.25Å; V540-D544 WeakPolarHBondContact CG1-OD2 3.46Å; V540-D544 PolarHBondContact O-N 3.46Å
541	V	76.3	Confident	69.3	Low	65 Å²	65	104 Å²	104	39%	0.394	55%	0.548	S	S	.	.	H	α-helix	trans	-55.9	-39.2	177.5	-179	0	0	0	0	112.1	P536 S537 K545	P536-V541 HydrophobicContact CB-CG2 3.92Å; P536-V541 HydrophobicContact CG-CG2 3.71Å; P536-V541 WeakPolarHBondContact O-CG2 3.4Å; S537-V541 PolarHBondContact O-N 3.35Å; S537-V541 VanDerWaalsContact O-N 3.07Å; V541-K545 WeakPolarHBondContact O-CB 3.42Å; V541-K545 PolarHBondContact O-N 3.06Å
542	M	71.1	Confident	69.4	Low	118 Å²	118	101.4 Å²	101.4	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-75	-24.8	177.2	-73.4	-75.7	-81.2	0	0	114	P538 A539 V540 R546	P538-M542 VanDerWaalsContact O-CB 3.22Å; P538-M542 WeakPolarHBondContact O-CB 3.44Å; P538-M542 WeakPolarHBondContact O-CG 3.27Å; P538-M542 PolarHBondContact O-N 3.23Å; A539-M542 PolarHBondContact O-N 3.06Å; V540-M542 PolarHBondContact O-N 3.17Å; M542-R546 VanDerWaalsContact O-CB 3.23Å; M542-R546 WeakPolarHBondContact O-CB 3.21Å; M542-R546 PolarHBondContact O-N 3.19Å
543	I	73.7	Confident	69.6	Low	103 Å²	103	94.6 Å²	94.6	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-75	-47	171.6	-73.8	163.3	0	0	0	109.7	A539 V540 R546 R547	A539-I543 WeakPolarHBondContact O-CB 3.45Å; A539-I543 WeakPolarHBondContact O-CD1 3.43Å; A539-I543 WeakPolarHBondContact O-CG1 3.33Å; A539-I543 PolarHBondContact O-N 3.26Å; V540-I543 WeakPolarHBondContact O-CA 3.49Å; V540-I543 WeakPolarHBondContact O-CB 3.18Å; V540-I543 PolarHBondContact O-N 3.13Å; I543-R546 CarbonylContact O-C 3.49Å; I543-R546 WeakPolarHBondContact O-CA 3.02Å; I543-R546 WeakPolarHBondContact O-CB 3.31Å; I543-R546 PolarHBondContact O-N 3.02Å; I543-R546 VanDerWaalsContact O-N 3.11Å; I543-R547 PolarHBondContact O-N 3.39Å
544	D	73.8	Confident	69.2	Low	77 Å²	77	95.1 Å²	95.1	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-46.8	-179.3	-63.5	-27.5	0	0	0	110.7	V540 R546 R547 E548	V540-D544 VanDerWaalsContact CG1-OD2 3.25Å; V540-D544 WeakPolarHBondContact CG1-OD2 3.46Å; V540-D544 PolarHBondContact O-N 3.46Å; D544-R546 PolarHBondContact O-N 3.34Å; D544-R547 CarbonylContact O-C 3.55Å; D544-R547 WeakPolarHBondContact O-CA 3.41Å; D544-R547 WeakPolarHBondContact O-CB 3.36Å; D544-R547 PolarHBondContact O-N 3.16Å; D544-E548 WeakPolarHBondContact O-CB 3.48Å; D544-E548 PolarHBondContact O-N 3.11Å
545	K	75.7	Confident	68.3	Low	121 Å²	121	97.9 Å²	97.9	53%	0.526	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-20.7	173.7	-163.7	157.5	-164.9	156.9	0	113.7	V541 K549	V541-K545 WeakPolarHBondContact O-CB 3.42Å; V541-K545 PolarHBondContact O-N 3.06Å; K545-K549 WeakPolarHBondContact O-CB 3.5Å; K545-K549 VanDerWaalsContact O-CG 3.26Å; K545-K549 WeakPolarHBondContact O-CG 3.08Å; K545-K549 PolarHBondContact O-N 3.09Å
546	R	73.9	Confident	66.9	Low	164 Å²	164	97.2 Å²	97.2	62%	0.619	52%	0.518	S	S	*	.	H	α-helix	trans	-86.6	-15.4	169.9	-173.1	-176.7	-64.2	175.8	-0.2	112.5	M542 I543 D544 R550	M542-R546 VanDerWaalsContact O-CB 3.23Å; M542-R546 WeakPolarHBondContact O-CB 3.21Å; M542-R546 PolarHBondContact O-N 3.19Å; I543-R546 CarbonylContact O-C 3.49Å; I543-R546 WeakPolarHBondContact O-CA 3.02Å; I543-R546 WeakPolarHBondContact O-CB 3.31Å; I543-R546 PolarHBondContact O-N 3.02Å; I543-R546 VanDerWaalsContact O-N 3.11Å; D544-R546 PolarHBondContact O-N 3.34Å; R546-R550 PolarHBondContact O-NE 3.22Å
547	R	72.2	Confident	65.4	Low	54 Å²	54	101.4 Å²	101.4	20%	0.204	54%	0.536	C	S	.	.	H	α-helix	trans	-89.3	-47.3	173.9	-165.2	-178.7	-172.5	-159.7	7.8	111	I543 D544 K549 R550 M551 D629 G653	I543-R547 PolarHBondContact O-N 3.39Å; D544-R547 CarbonylContact O-C 3.55Å; D544-R547 WeakPolarHBondContact O-CA 3.41Å; D544-R547 WeakPolarHBondContact O-CB 3.36Å; D544-R547 PolarHBondContact O-N 3.16Å; R547-K549 VanDerWaalsContact C-N 3.3Å; R547-K549 PolarHBondContact O-N 2.97Å; R547-R550 CarbonylContact O-C 3.51Å; R547-R550 WeakPolarHBondContact O-CA 2.95Å; R547-R550 WeakPolarHBondContact O-CB 3.23Å; R547-R550 PolarHBondContact O-N 3.2Å; R547-M551 WeakPolarHBondContact O-CG 3.29Å; R547-M551 PolarHBondContact O-N 2.92Å; R547-D629 IonicContact CZ-OD2 3.84Å; R547-D629 IonicContact NH1-OD2 2.65Å; R547-D629 PolarHBondContact NH1-OD2 3.03Å; R547-D629 IonicContact NH2-OD2 2.73Å; R547-D629 PolarHBondContact NH2-OD2 3.44Å; R547-G653 PolarHBondContact NH2-O 2.71Å
548	E	68.4	Low	63.6	Low	114 Å²	114	102 Å²	102	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-48	-50.2	168	-179.5	-170.9	-146.8	0	0	111.2	D544 R550 M551 T552	D544-E548 WeakPolarHBondContact O-CB 3.48Å; D544-E548 PolarHBondContact O-N 3.11Å; E548-R550 PolarHBondContact O-N 2.81Å; E548-R550 VanDerWaalsContact O-N 3.16Å; E548-M551 PolarHBondContact O-N 3Å; E548-M551 VanDerWaalsContact O-N 3.15Å; E548-T552 PolarHBondContact O-N 2.96Å; E548-T552 PolarHBondContact O-OG1 2.92Å
549	K	71.7	Confident	61.9	Low	146 Å²	146	103.3 Å²	103.3	64%	0.635	56%	0.556	S	S	*	*	H	α-helix	trans	-61.4	-18.6	173.8	-79.8	-174.7	174.6	-165	0	115.5	K545 R547 T552 G553	K545-K549 WeakPolarHBondContact O-CB 3.5Å; K545-K549 VanDerWaalsContact O-CG 3.26Å; K545-K549 WeakPolarHBondContact O-CG 3.08Å; K545-K549 PolarHBondContact O-N 3.09Å; R547-K549 VanDerWaalsContact C-N 3.3Å; R547-K549 PolarHBondContact O-N 2.97Å; K549-T552 WeakPolarHBondContact CA-OG1 3.21Å; K549-G553 WeakPolarHBondContact O-CA 3.48Å; K549-G553 PolarHBondContact O-N 3.33Å; K549-G553 VanDerWaalsContact O-N 3.17Å
550	R	68.5	Low	59.9	Low	137 Å²	137	107 Å²	107	52%	0.517	57%	0.567	S	S	.	*	H	α-helix	trans	-92	-34.1	172.7	-76.4	-178.6	-70.4	152	2.8	112.5	R546 R547 E548 V554	R546-R550 PolarHBondContact O-NE 3.22Å; R547-R550 CarbonylContact O-C 3.51Å; R547-R550 WeakPolarHBondContact O-CA 2.95Å; R547-R550 WeakPolarHBondContact O-CB 3.23Å; R547-R550 PolarHBondContact O-N 3.2Å; E548-R550 PolarHBondContact O-N 2.81Å; E548-R550 VanDerWaalsContact O-N 3.16Å; R550-V554 WeakPolarHBondContact O-CG2 3.39Å
551	M	60.6	Low	58.3	Low	122 Å²	122	109.1 Å²	109.1	60%	0.601	59%	0.585	S	S	*	*	H	α-helix	trans	-62.9	-49.9	171.9	-59.8	-61.8	-114.4	0	0	110.4	R547 E548	R547-M551 WeakPolarHBondContact O-CG 3.29Å; R547-M551 PolarHBondContact O-N 2.92Å; E548-M551 PolarHBondContact O-N 3Å; E548-M551 VanDerWaalsContact O-N 3.15Å
552	T	63.2	Low	56.4	Low	85 Å²	85	114.5 Å²	114.5	52%	0.521	60%	0.598	S	S	.	*	H	α-helix	trans	-69.9	-42.3	177.5	50.1	0	0	0	0	112.9	E548 K549 V554 Q555	E548-T552 PolarHBondContact O-N 2.96Å; E548-T552 PolarHBondContact O-OG1 2.92Å; K549-T552 WeakPolarHBondContact CA-OG1 3.21Å; T552-V554 PolarHBondContact O-N 2.84Å; T552-Q555 PolarHBondContact O-N 3.37Å
553	G	52.6	Low	54.7	Low	42 Å²	42	116.9 Å²	116.9	43%	0.433	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-2.9	-177.3	0	0	0	0	0	116.4	K549	K549-G553 WeakPolarHBondContact O-CA 3.48Å; K549-G553 PolarHBondContact O-N 3.33Å; K549-G553 VanDerWaalsContact O-N 3.17Å
554	V	51.5	Low	52.7	Low	110 Å²	110	115 Å²	115	67%	0.667	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-22.8	171.7	171	0	0	0	0	112	R550 T552	R550-V554 WeakPolarHBondContact O-CG2 3.39Å; T552-V554 PolarHBondContact O-N 2.84Å
555	Q	44.9	Very low	50.9	Low	137 Å²	137	118.2 Å²	118.2	64%	0.64	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-14.3	-178.2	-64.9	-175	1.2	0	0	113.6	T552 I557	T552-Q555 PolarHBondContact O-N 3.37Å; Q555-I557 PolarHBondContact O-N 3.24Å
556	S	40.9	Very low	48.8	Very low	101 Å²	101	119.1 Å²	119.1	71%	0.706	65%	0.652	S	S	*	*			trans	-81.2	33.6	-178.4	67.4	0	0	0	0	114.3
557	I	40.7	Very low	47	Very low	149 Å²	149	123.1 Å²	123.1	76%	0.764	67%	0.667	S	S	*	*	S	Bend	trans	-123.7	89.7	175.1	-55.7	-178	0	0	0	109	Q555	Q555-I557 PolarHBondContact O-N 3.24Å
558	G	34.5	Very low	45.1	Very low	71 Å²	71	126.5 Å²	126.5	73%	0.732	69%	0.689	S	S	*	*	S	Bend	trans	88.4	59.1	153.7	0	0	0	0	0	118.5
559	V	39.3	Very low	43.4	Very low	133 Å²	133	124 Å²	124	81%	0.806	69%	0.694	S	S	*	*			trans	-138.9	90.3	147.9	-168.9	0	0	0	0	110
560	D	30	Very low	41.5	Very low	139 Å²	139	122.9 Å²	122.9	74%	0.743	70%	0.7	S	S	*	*			trans	-83.5	107.5	162.4	-79.9	-51.7	0	0	0	108.5
561	S	39.7	Very low	39.8	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	72%	0.72	S	S	*	*			trans	-149.8	133.5	169.9	-78.8	0	0	0	0	111.1
562	R	36.3	Very low	38.6	Very low	179 Å²	179	125.4 Å²	125.4	68%	0.675	73%	0.726	S	S	*	*			trans	-84.2	165	179.7	-70	177.5	165.1	107.7	-4.9	110.4	D265	D265-R562 IonicContact OD2-CZ 2.65Å; D265-R562 IonicContact OD2-NE 2.69Å; D265-R562 PolarHBondContact OD2-NE 2.86Å; D265-R562 VanDerWaalsContact OD2-NE 3.08Å; D265-R562 IonicContact OD2-NH2 2.66Å; D265-R562 PolarHBondContact OD2-NH2 3.49Å
563	N	36.6	Very low	37.1	Very low	167 Å²	167	126.4 Å²	126.4	89%	0.893	74%	0.737	S	S	*	*			trans	78.8	130.6	-169.7	-47.8	-25.5	0	0	0	112.7
564	G	31.4	Very low	36.3	Very low	65 Å²	65	130 Å²	130	67%	0.67	75%	0.75	S	S	*	*			cis	174.1	176.6	-7.2	0	0	0	0	0	113.9
565	T	35.5	Very low	35.5	Very low	143 Å²	143	131.6 Å²	131.6	88%	0.877	76%	0.755	S	S	*	*			trans	70.8	121.1	162.8	-46.2	0	0	0	0	117.3
566	L	32.6	Very low	35	Very low	140 Å²	140	131.4 Å²	131.4	73%	0.733	76%	0.763	S	S	*	*			trans	-63.6	152.7	170	-71.9	64.8	0	0	0	111.2
567	R	35.3	Very low	34.6	Very low	249 Å²	249	132.8 Å²	132.8	94%	0.94	76%	0.763	S	S	*	*			trans	-146.2	83.6	136.8	-116.3	173.4	-172.6	-125.4	-0.7	111.8	G569	R567-G569 PolarHBondContact O-N 3.32Å
568	N	32	Very low	34.2	Very low	125 Å²	125	138.3 Å²	138.3	67%	0.668	77%	0.774	S	S	*	*			trans	-67.9	120.7	156.9	-66	11	0	0	0	106.5	Q22	Q22-N568 PolarHBondContact OE1-ND2 3.45Å
569	G	33.8	Very low	34.7	Very low	62 Å²	62	140.4 Å²	140.4	64%	0.639	77%	0.773	S	S	*	*			trans	-135.7	100.9	-171.5	0	0	0	0	0	112.5	R567 M571	R567-G569 PolarHBondContact O-N 3.32Å; G569-M571 PolarHBondContact O-N 2.86Å
570	T	32.1	Very low	35	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	78%	0.779	S	S	*	*			trans	-10.9	111.6	158.2	-50.6	0	0	0	0	116.2	T572	T570-T572 HydrophobicContact CG2-CG2 3.77Å; T570-T572 PolarHBondContact O-N 2.87Å
571	M	32.8	Very low	36.1	Very low	192 Å²	192	139.9 Å²	139.9	95%	0.946	76%	0.759	S	S	*	*			trans	-84.9	80.4	162.1	-64.2	-147.5	80.3	0	0	110.2	G569	G569-M571 PolarHBondContact O-N 2.86Å
572	T	35.1	Very low	37.1	Very low	119 Å²	119	140.6 Å²	140.6	73%	0.73	76%	0.755	S	S	*	*			trans	-76.9	161.7	159	31.7	0	0	0	0	110.5	T570	T570-T572 HydrophobicContact CG2-CG2 3.77Å; T570-T572 PolarHBondContact O-N 2.87Å
573	S	32.4	Very low	38.8	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	75%	0.753	S	S	*	*	S	Bend	trans	-75.1	167.2	-170.1	50.7	0	0	0	0	115.4
574	V	36	Very low	40.6	Very low	117 Å²	117	132 Å²	132	71%	0.709	73%	0.73	S	S	*	*			trans	80.4	98.3	166	-167.1	0	0	0	0	115.9
575	D	33.1	Very low	42.6	Very low	144 Å²	144	130.4 Å²	130.4	77%	0.77	71%	0.706	S	S	*	*			trans	37.5	94.4	135	-46.8	-32.9	0	0	0	119.5
576	T	35	Very low	44.6	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	68%	0.68	S	S	*	*			trans	-163.7	143.9	133.3	4.3	0	0	0	0	114.1
577	D	32.6	Very low	47	Very low	130 Å²	130	121.9 Å²	121.9	70%	0.695	66%	0.662	S	S	*	*			trans	51.7	119.8	156.4	-61.8	-8.9	0	0	0	123	T579	D577-T579 PolarHBondContact O-N 2.94Å
578	W	33.1	Very low	49.3	Very low	265 Å²	265	115.4 Å²	115.4	100%	1.004	64%	0.641	S	S	*	*			trans	-79.2	70.2	-179.2	-67.8	76	0	0	0	113.4
579	T	43.8	Very low	51.8	Low	116 Å²	116	111.1 Å²	111.1	71%	0.712	62%	0.618	S	S	*	*			trans	-116.5	5	-178	58.4	0	0	0	0	116.2	D577 R581	D577-T579 PolarHBondContact O-N 2.94Å; T579-R581 PolarHBondContact O-N 3.15Å
580	D	45	Very low	54.3	Low	174 Å²	174	113 Å²	113	93%	0.93	61%	0.613	S	S	*	*			trans	-75.5	77.4	175.3	-158.7	16.5	0	0	0	111.2
581	R	53.3	Low	57	Low	86 Å²	86	116.2 Å²	116.2	33%	0.325	61%	0.611	S	S	.	*			trans	-84.4	136	178.8	-78.8	-87.2	165.1	171.8	-5.5	110.2	T579 N586 H624	T579-R581 PolarHBondContact O-N 3.15Å; R581-N586 WeakPolarHBondContact CB-OD1 3.13Å; R581-N586 PolarHBondContact O-ND2 2.81Å; R581-H624 PolarHBondContact NH1-NE2 3.2Å; R581-H624 PolarHBondContact NH2-CE1 3.21Å; R581-H624 PolarHBondContact NH2-NE2 3.11Å
582	D	62.3	Low	59.7	Low	118 Å²	118	108 Å²	108	63%	0.631	57%	0.571	S	S	*	*			trans	-39.3	123.4	171.1	-98.4	-49.2	0	0	0	111.2	V584 L585 N586	D582-V584 PolarHBondContact O-N 3.49Å; D582-V584 VanDerWaalsContact O-N 3.12Å; D582-L585 HydrophobicContact CB-CB 3.91Å; D582-L585 WeakPolarHBondContact O-CA 3.47Å; D582-L585 WeakPolarHBondContact O-CB 3.27Å; D582-L585 PolarHBondContact O-N 2.99Å; D582-N586 PolarHBondContact O-N 2.86Å; D582-N586 VanDerWaalsContact O-N 3.13Å
583	P	71.2	Confident	62.3	Low	97 Å²	97	105.2 Å²	105.2	63%	0.63	55%	0.552	S	S	*	*	H	α-helix	trans	-63.3	-24.8	-178	23.6	-33.2	0	0	0	112.3	L585 A587	P583-L585 VanDerWaalsContact C-N 3.3Å; P583-A587 WeakPolarHBondContact O-CB 3.18Å; P583-A587 PolarHBondContact O-N 2.72Å
584	V	73.2	Confident	65.1	Low	68 Å²	68	102.5 Å²	102.5	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-71.2	-23.7	172.5	-176.4	0	0	0	0	112.3	D582 K588	D582-V584 PolarHBondContact O-N 3.49Å; D582-V584 VanDerWaalsContact O-N 3.12Å; V584-K588 WeakPolarHBondContact O-CG 3.34Å
585	L	74.1	Confident	67.6	Low	32 Å²	32	101.9 Å²	101.9	17%	0.168	53%	0.525	C	S	.	.	H	α-helix	trans	-79.7	-46.7	173.2	-154.4	84.7	0	0	0	110.6	D582 P583 A587 K588 L589 V623	D582-L585 HydrophobicContact CB-CB 3.91Å; D582-L585 WeakPolarHBondContact O-CA 3.47Å; D582-L585 WeakPolarHBondContact O-CB 3.27Å; D582-L585 PolarHBondContact O-N 2.99Å; P583-L585 VanDerWaalsContact C-N 3.3Å; L585-A587 PolarHBondContact O-N 2.94Å; L585-K588 WeakPolarHBondContact O-CA 3.41Å; L585-K588 WeakPolarHBondContact O-CB 3.32Å; L585-K588 PolarHBondContact O-N 3.3Å; L585-L589 HydrophobicContact CG-CD1 4.24Å; L585-L589 VanDerWaalsContact O-CD1 3.25Å; L585-L589 WeakPolarHBondContact O-CD1 3.45Å; L585-L589 PolarHBondContact O-N 3.25Å; L585-L589 VanDerWaalsContact O-N 3.07Å; L585-V623 HydrophobicContact CD1-CG1 3.76Å; L585-V623 HydrophobicContact CG-CG1 3.9Å
586	N	78	Confident	70.2	Confident	62 Å²	62	95.6 Å²	95.6	33%	0.332	49%	0.491	S	S	.	.	H	α-helix	trans	-59.2	-49.5	178.6	-59.5	-17.2	0	0	0	110.2	R581 D582 K588 L589 D590	R581-N586 WeakPolarHBondContact CB-OD1 3.13Å; R581-N586 PolarHBondContact O-ND2 2.81Å; D582-N586 PolarHBondContact O-N 2.86Å; D582-N586 VanDerWaalsContact O-N 3.13Å; N586-K588 PolarHBondContact O-N 3.5Å; N586-L589 WeakPolarHBondContact O-CA 3.22Å; N586-L589 PolarHBondContact O-N 2.66Å; N586-D590 PolarHBondContact O-N 3.26Å
587	A	82.5	Confident	72.8	Confident	43 Å²	43	93.9 Å²	93.9	36%	0.355	47%	0.474	S	S	.	.	H	α-helix	trans	-63.6	-5.3	175.4	0	0	0	0	0	115.4	P583 L585 R591	P583-A587 WeakPolarHBondContact O-CB 3.18Å; P583-A587 PolarHBondContact O-N 2.72Å; L585-A587 PolarHBondContact O-N 2.94Å; A587-R591 WeakPolarHBondContact O-CD 3.42Å; A587-R591 WeakPolarHBondContact O-CG 3.11Å; A587-R591 PolarHBondContact O-NE 3.45Å
588	K	83	Confident	75.5	Confident	113 Å²	113	90.9 Å²	90.9	49%	0.491	46%	0.46	S	S	.	.	H	α-helix	trans	-93.5	-42.1	165.1	-73.2	173.9	179.2	179.9	0	112	V584 L585 N586 D590 R591 I592 V623	V584-K588 WeakPolarHBondContact O-CG 3.34Å; L585-K588 WeakPolarHBondContact O-CA 3.41Å; L585-K588 WeakPolarHBondContact O-CB 3.32Å; L585-K588 PolarHBondContact O-N 3.3Å; N586-K588 PolarHBondContact O-N 3.5Å; K588-D590 VanDerWaalsContact C-N 3.34Å; K588-R591 PolarHBondContact O-N 3.13Å; K588-I592 WeakPolarHBondContact O-CG1 3.06Å; K588-I592 PolarHBondContact O-N 3.14Å; K588-V623 HydrophobicContact CB-CG1 4.3Å
589	L	86	Confident	78.1	Confident	35 Å²	35	79.1 Å²	79.1	18%	0.183	42%	0.417	C	S	.	.	H	α-helix	trans	-58.5	-47.9	172.6	-86.3	79.9	0	0	0	110.4	L585 N586 R591 I592 D593 K620 V623	L585-L589 HydrophobicContact CG-CD1 4.24Å; L585-L589 VanDerWaalsContact O-CD1 3.25Å; L585-L589 WeakPolarHBondContact O-CD1 3.45Å; L585-L589 PolarHBondContact O-N 3.25Å; L585-L589 VanDerWaalsContact O-N 3.07Å; N586-L589 WeakPolarHBondContact O-CA 3.22Å; N586-L589 PolarHBondContact O-N 2.66Å; L589-R591 PolarHBondContact O-N 3Å; L589-R591 VanDerWaalsContact O-N 3.16Å; L589-I592 PolarHBondContact O-N 2.74Å; L589-D593 PolarHBondContact O-N 3.02Å; L589-K620 HydrophobicContact CG-CG 4.42Å; L589-V623 HydrophobicContact CD1-CB 4.34Å; L589-V623 HydrophobicContact CD1-CG1 3.6Å
590	D	86.3	Confident	80.2	Confident	101 Å²	101	77.4 Å²	77.4	54%	0.54	40%	0.4	S	S	.	.	H	α-helix	trans	-56.7	-34.5	-178.9	-55.9	-29	0	0	0	112.5	N586 K588 A594	N586-D590 PolarHBondContact O-N 3.26Å; K588-D590 VanDerWaalsContact C-N 3.34Å; D590-A594 VanDerWaalsContact O-CB 3.29Å; D590-A594 WeakPolarHBondContact O-CB 3.42Å; D590-A594 PolarHBondContact O-N 3.29Å
591	R	89	Confident	82.2	Confident	189 Å²	189	77.5 Å²	77.5	71%	0.713	39%	0.387	S	S	*	.	H	α-helix	trans	-73	-43.6	176.6	-69.5	176.3	-172.7	-158.6	-0.9	112.2	A587 K588 L589 D593 A594 E595	A587-R591 WeakPolarHBondContact O-CD 3.42Å; A587-R591 WeakPolarHBondContact O-CG 3.11Å; A587-R591 PolarHBondContact O-NE 3.45Å; K588-R591 PolarHBondContact O-N 3.13Å; L589-R591 PolarHBondContact O-N 3Å; L589-R591 VanDerWaalsContact O-N 3.16Å; R591-D593 VanDerWaalsContact C-N 3.33Å; R591-A594 PolarHBondContact O-N 3.47Å; R591-E595 WeakPolarHBondContact O-CB 3.37Å; R591-E595 PolarHBondContact O-N 2.91Å
592	I	88.6	Confident	83.4	Confident	19 Å²	19	79.9 Å²	79.9	10%	0.097	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-42.7	177.4	-67.2	163	0	0	0	109.8	K588 L589 E595 I596 L616 K620 V623	K588-I592 WeakPolarHBondContact O-CG1 3.06Å; K588-I592 PolarHBondContact O-N 3.14Å; L589-I592 PolarHBondContact O-N 2.74Å; I592-E595 PolarHBondContact O-N 3.15Å; I592-I596 HydrophobicContact CG2-CD1 3.85Å; I592-I596 VanDerWaalsContact O-CG1 3.28Å; I592-I596 WeakPolarHBondContact O-CG1 3.49Å; I592-I596 PolarHBondContact O-N 2.94Å; I592-L616 HydrophobicContact CG2-CB 4.23Å; I592-L616 HydrophobicContact CG2-CD2 4.49Å; I592-K620 HydrophobicContact CG2-CB 4.47Å; I592-V623 HydrophobicContact CD1-CG2 3.77Å
593	D	90.4	Very high	84.1	Confident	62 Å²	62	75.3 Å²	75.3	33%	0.332	39%	0.386	S	S	.	.	H	α-helix	trans	-68.6	-37.8	179.2	-72.4	-21.3	0	0	0	112.2	L589 R591 E597 K620	L589-D593 PolarHBondContact O-N 3.02Å; R591-D593 VanDerWaalsContact C-N 3.33Å; D593-E597 PolarHBondContact O-N 2.87Å; D593-K620 WeakPolarHBondContact OD1-CE 3.07Å; D593-K620 IonicContact OD1-NZ 3.72Å; D593-K620 PolarHBondContact OD1-NZ 3.04Å; D593-K620 IonicContact OD2-NZ 2.73Å; D593-K620 PolarHBondContact OD2-NZ 2.65Å
594	A	89.9	Confident	84.2	Confident	50 Å²	50	76.6 Å²	76.6	41%	0.413	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-40.2	170.8	0	0	0	0	0	112.5	D590 R591 E597 T598	D590-A594 VanDerWaalsContact O-CB 3.29Å; D590-A594 WeakPolarHBondContact O-CB 3.42Å; D590-A594 PolarHBondContact O-N 3.29Å; R591-A594 PolarHBondContact O-N 3.47Å; A594-E597 PolarHBondContact O-N 2.7Å; A594-T598 WeakPolarHBondContact O-CG2 3.48Å; A594-T598 PolarHBondContact O-N 3.31Å
595	E	88.5	Confident	84.2	Confident	104 Å²	104	79.2 Å²	79.2	49%	0.486	41%	0.405	S	S	.	.	H	α-helix	trans	-65.3	-45	177.1	-165.2	173.1	175.6	0	0	111.2	R591 I592 E597 T598 L599 L616	R591-E595 WeakPolarHBondContact O-CB 3.37Å; R591-E595 PolarHBondContact O-N 2.91Å; I592-E595 PolarHBondContact O-N 3.15Å; E595-E597 VanDerWaalsContact C-N 3.31Å; E595-E597 PolarHBondContact O-N 3.46Å; E595-T598 PolarHBondContact O-N 2.9Å; E595-T598 VanDerWaalsContact O-N 3.15Å; E595-T598 PolarHBondContact O-OG1 3.27Å; E595-L599 PolarHBondContact O-N 2.85Å; E595-L616 HydrophobicContact CB-CD1 4.07Å; E595-L616 HydrophobicContact CG-CD1 3.72Å
596	I	89.4	Confident	84.5	Confident	11 Å²	11	80.1 Å²	80.1	6%	0.056	41%	0.414	C	S	.	.	H	α-helix	trans	-56.4	-43.8	170.9	-69.6	164.9	0	0	0	110.8	I592 T598 L599 K600 I613 L616 E617	I592-I596 HydrophobicContact CG2-CD1 3.85Å; I592-I596 VanDerWaalsContact O-CG1 3.28Å; I592-I596 WeakPolarHBondContact O-CG1 3.49Å; I592-I596 PolarHBondContact O-N 2.94Å; I596-T598 PolarHBondContact O-N 3.24Å; I596-L599 PolarHBondContact O-N 3.28Å; I596-K600 HydrophobicContact CG2-CD 4.01Å; I596-K600 HydrophobicContact CG2-CG 4.46Å; I596-K600 WeakPolarHBondContact O-CG 3.36Å; I596-K600 PolarHBondContact O-N 3.48Å; I596-I613 HydrophobicContact CG2-CG2 4.28Å; I596-L616 HydrophobicContact CD1-CB 3.97Å; I596-L616 HydrophobicContact CG1-CB 3.69Å; I596-L616 HydrophobicContact CG1-CD1 4Å; I596-E617 HydrophobicContact CD1-CG 3.78Å
597	E	89.7	Confident	84.8	Confident	97 Å²	97	80 Å²	80	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-40.7	177.6	-153.6	-159.1	169.5	0	0	112	D593 A594 E595 L599 K600 R601	D593-E597 PolarHBondContact O-N 2.87Å; A594-E597 PolarHBondContact O-N 2.7Å; E595-E597 VanDerWaalsContact C-N 3.31Å; E595-E597 PolarHBondContact O-N 3.46Å; E597-L599 PolarHBondContact O-N 2.89Å; E597-K600 PolarHBondContact O-N 3.02Å; E597-R601 VanDerWaalsContact CD-CZ 3.49Å; E597-R601 VanDerWaalsContact O-CG 3.29Å; E597-R601 WeakPolarHBondContact O-CG 3.42Å; E597-R601 PolarHBondContact O-N 3.01Å; E597-R601 IonicContact OE1-CZ 3.27Å; E597-R601 VanDerWaalsContact OE1-CZ 3.27Å; E597-R601 IonicContact OE1-NE 3.18Å; E597-R601 PolarHBondContact OE1-NE 3.07Å; E597-R601 IonicContact OE1-NH2 2.67Å; E597-R601 PolarHBondContact OE1-NH2 3.32Å; E597-R601 IonicContact OE2-CZ 3.51Å; E597-R601 IonicContact OE2-NE 3.94Å; E597-R601 IonicContact OE2-NH2 2.91Å; E597-R601 PolarHBondContact OE2-NH2 3.32Å
598	T	88.4	Confident	84.9	Confident	66 Å²	66	84 Å²	84	41%	0.405	44%	0.442	S	S	.	.	H	α-helix	trans	-63.9	-39.5	175.2	61.9	0	0	0	0	112.6	A594 E595 I596 R601 L602	A594-T598 WeakPolarHBondContact O-CG2 3.48Å; A594-T598 PolarHBondContact O-N 3.31Å; E595-T598 PolarHBondContact O-N 2.9Å; E595-T598 VanDerWaalsContact O-N 3.15Å; E595-T598 PolarHBondContact O-OG1 3.27Å; I596-T598 PolarHBondContact O-N 3.24Å; T598-R601 PolarHBondContact O-N 3.36Å; T598-L602 WeakPolarHBondContact O-CG 3.33Å; T598-L602 PolarHBondContact O-N 3.14Å
599	L	87.2	Confident	85.1	Confident	19 Å²	19	79.3 Å²	79.3	10%	0.099	42%	0.423	C	S	.	.	H	α-helix	trans	-67.1	-37.2	176.6	-69.4	169.1	0	0	0	112.3	E595 I596 E597 L602 G603 T609 L612 I613 L616	E595-L599 PolarHBondContact O-N 2.85Å; I596-L599 PolarHBondContact O-N 3.28Å; E597-L599 PolarHBondContact O-N 2.89Å; L599-L602 PolarHBondContact O-N 2.93Å; L599-G603 PolarHBondContact O-N 3.41Å; L599-T609 HydrophobicContact CD2-CG2 4.25Å; L599-L612 HydrophobicContact CD1-CB 3.74Å; L599-L612 HydrophobicContact CD2-CB 4.38Å; L599-L612 HydrophobicContact CD2-CD1 4.08Å; L599-I613 HydrophobicContact CB-CD1 3.95Å; L599-I613 HydrophobicContact CB-CG1 3.69Å; L599-I613 HydrophobicContact CD1-CG1 4.01Å; L599-L616 HydrophobicContact CD1-CD1 3.5Å; L599-L616 VanDerWaalsContact CD1-CD1 3.5Å
600	K	88.9	Confident	85.2	Confident	80 Å²	80	79.9 Å²	79.9	35%	0.348	43%	0.433	S	S	.	.	H	α-helix	trans	-64.9	-43.2	174	-69.8	-180	174.3	172.4	0	111.4	I596 E597 L602 G603 E604 I613 E617	I596-K600 HydrophobicContact CG2-CD 4.01Å; I596-K600 HydrophobicContact CG2-CG 4.46Å; I596-K600 WeakPolarHBondContact O-CG 3.36Å; I596-K600 PolarHBondContact O-N 3.48Å; E597-K600 PolarHBondContact O-N 3.02Å; K600-L602 VanDerWaalsContact C-N 3.3Å; K600-L602 PolarHBondContact O-N 3.2Å; K600-G603 PolarHBondContact O-N 2.78Å; K600-G603 VanDerWaalsContact O-N 3.07Å; K600-E604 HydrophobicContact CB-CG 4.03Å; K600-E604 VanDerWaalsContact CD-OE1 3.31Å; K600-E604 WeakPolarHBondContact CD-OE1 3.34Å; K600-E604 HydrophobicContact CG-CG 4Å; K600-E604 VanDerWaalsContact CG-OE1 3.27Å; K600-E604 WeakPolarHBondContact CG-OE1 3.25Å; K600-I613 HydrophobicContact CG-CD1 3.69Å; K600-E617 IonicContact NZ-OE1 2.99Å
601	R	86.3	Confident	85.2	Confident	176 Å²	176	77.6 Å²	77.6	66%	0.664	43%	0.428	S	S	*	.	H	α-helix	trans	-63.4	-29.9	173.8	-68.7	170.7	-175.1	179.7	2.2	113.6	E597 T598 G603	E597-R601 VanDerWaalsContact CD-CZ 3.49Å; E597-R601 VanDerWaalsContact O-CG 3.29Å; E597-R601 WeakPolarHBondContact O-CG 3.42Å; E597-R601 PolarHBondContact O-N 3.01Å; E597-R601 IonicContact OE1-CZ 3.27Å; E597-R601 VanDerWaalsContact OE1-CZ 3.27Å; E597-R601 IonicContact OE1-NE 3.18Å; E597-R601 PolarHBondContact OE1-NE 3.07Å; E597-R601 IonicContact OE1-NH2 2.67Å; E597-R601 PolarHBondContact OE1-NH2 3.32Å; E597-R601 IonicContact OE2-CZ 3.51Å; E597-R601 IonicContact OE2-NE 3.94Å; E597-R601 IonicContact OE2-NH2 2.91Å; E597-R601 PolarHBondContact OE2-NH2 3.32Å; T598-R601 PolarHBondContact O-N 3.36Å; R601-G603 PolarHBondContact O-N 3.06Å
602	L	78.6	Confident	85.2	Confident	135 Å²	135	72 Å²	72	71%	0.707	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-7	174.3	-72.4	169.9	0	0	0	113.8	T598 L599 K600 T609	T598-L602 WeakPolarHBondContact O-CG 3.33Å; T598-L602 PolarHBondContact O-N 3.14Å; L599-L602 PolarHBondContact O-N 2.93Å; K600-L602 VanDerWaalsContact C-N 3.3Å; K600-L602 PolarHBondContact O-N 3.2Å; L602-T609 HydrophobicContact CB-CG2 4.49Å
603	G	77	Confident	85.2	Confident	22 Å²	22	71.8 Å²	71.8	23%	0.227	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	114	107.8	173.1	0	0	0	0	0	112.7	L599 K600 R601 S605 S606 T609	L599-G603 PolarHBondContact O-N 3.41Å; K600-G603 PolarHBondContact O-N 2.78Å; K600-G603 VanDerWaalsContact O-N 3.07Å; R601-G603 PolarHBondContact O-N 3.06Å; G603-S605 PolarHBondContact O-N 3.17Å; G603-S605 VanDerWaalsContact O-N 3.11Å; G603-S606 PolarHBondContact O-N 3.33Å; G603-T609 PolarHBondContact O-OG1 2.79Å
604	E	72.3	Confident	85.1	Confident	125 Å²	125	75.7 Å²	75.7	58%	0.584	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.5	175.9	-57.6	-174.9	143.4	0	0	113.8	K600	K600-E604 HydrophobicContact CB-CG 4.03Å; K600-E604 VanDerWaalsContact CD-OE1 3.31Å; K600-E604 WeakPolarHBondContact CD-OE1 3.34Å; K600-E604 HydrophobicContact CG-CG 4Å; K600-E604 VanDerWaalsContact CG-OE1 3.27Å; K600-E604 WeakPolarHBondContact CG-OE1 3.25Å
605	S	73.8	Confident	85	Confident	122 Å²	122	79.9 Å²	79.9	85%	0.853	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9	-178.2	55.1	0	0	0	0	115	G603	G603-S605 PolarHBondContact O-N 3.17Å; G603-S605 VanDerWaalsContact O-N 3.11Å
606	S	80.8	Confident	85.1	Confident	51 Å²	51	76.1 Å²	76.1	36%	0.357	42%	0.421	S	S	.	.	S	Bend	trans	-84.8	128.3	174.3	177	0	0	0	0	110.6	G603 I608 T609 A610	G603-S606 PolarHBondContact O-N 3.33Å; S606-I608 PolarHBondContact O-N 2.95Å; S606-I608 PolarHBondContact OG-N 3.43Å; S606-T609 WeakPolarHBondContact CB-OG1 3.44Å; S606-T609 PolarHBondContact O-N 3.28Å; S606-T609 VanDerWaalsContact O-N 3.15Å; S606-T609 PolarHBondContact O-OG1 2.94Å; S606-A610 PolarHBondContact O-N 2.96Å
607	G	84.1	Confident	85	Confident	61 Å²	61	79.9 Å²	79.9	63%	0.629	44%	0.438	S	S	*	.	H	α-helix	trans	-59.3	-21.8	176.7	0	0	0	0	0	113.6	A611	G607-A611 WeakPolarHBondContact O-CB 3.43Å; G607-A611 PolarHBondContact O-N 2.9Å
608	I	84.8	Confident	84.8	Confident	125 Å²	125	77.4 Å²	77.4	64%	0.641	44%	0.435	S	S	*	.	H	α-helix	trans	-78	-45.6	176.5	-56.9	174.9	0	0	0	111	S606 A611 L612	S606-I608 PolarHBondContact O-N 2.95Å; S606-I608 PolarHBondContact OG-N 3.43Å; I608-A611 PolarHBondContact O-N 2.73Å; I608-L612 HydrophobicContact CG2-CD1 4.13Å; I608-L612 WeakPolarHBondContact O-CG 3.26Å; I608-L612 PolarHBondContact O-N 2.86Å
609	T	87	Confident	84.5	Confident	15 Å²	15	76 Å²	76	9%	0.092	43%	0.428	C	S	.	.	H	α-helix	trans	-67.2	-39.6	177.1	51	0	0	0	0	110.7	L599 L602 G603 S606 A611 L612 I613	L599-T609 HydrophobicContact CD2-CG2 4.25Å; L602-T609 HydrophobicContact CB-CG2 4.49Å; G603-T609 PolarHBondContact O-OG1 2.79Å; S606-T609 WeakPolarHBondContact CB-OG1 3.44Å; S606-T609 PolarHBondContact O-N 3.28Å; S606-T609 VanDerWaalsContact O-N 3.15Å; S606-T609 PolarHBondContact O-OG1 2.94Å; T609-A611 PolarHBondContact O-N 2.95Å; T609-L612 PolarHBondContact O-N 3.08Å; T609-I613 WeakPolarHBondContact O-CB 3.31Å; T609-I613 WeakPolarHBondContact O-CD1 3.22Å; T609-I613 VanDerWaalsContact O-CG1 3.23Å; T609-I613 WeakPolarHBondContact O-CG1 3.42Å; T609-I613 PolarHBondContact O-N 3.39Å
610	A	87.5	Confident	84.4	Confident	47 Å²	47	78.3 Å²	78.3	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-43.6	173.8	0	0	0	0	0	112.6	S606 I613 Q614	S606-A610 PolarHBondContact O-N 2.96Å; A610-I613 PolarHBondContact O-N 3.45Å; A610-Q614 WeakPolarHBondContact O-CB 3.21Å; A610-Q614 PolarHBondContact O-N 3.03Å
611	A	87.2	Confident	83.7	Confident	53 Å²	53	80.9 Å²	80.9	44%	0.438	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-41.5	176.1	0	0	0	0	0	112.6	G607 I608 T609 Q614 E615	G607-A611 WeakPolarHBondContact O-CB 3.43Å; G607-A611 PolarHBondContact O-N 2.9Å; I608-A611 PolarHBondContact O-N 2.73Å; T609-A611 PolarHBondContact O-N 2.95Å; A611-Q614 PolarHBondContact O-N 3.2Å; A611-E615 PolarHBondContact O-N 2.86Å
612	L	88.3	Confident	82.8	Confident	72 Å²	72	78.1 Å²	78.1	38%	0.377	45%	0.448	S	S	.	.	H	α-helix	trans	-66.8	-39.6	176.6	-70.6	169.6	0	0	0	112.3	L599 I608 T609 Q614 E615 L616	L599-L612 HydrophobicContact CD1-CB 3.74Å; L599-L612 HydrophobicContact CD2-CB 4.38Å; L599-L612 HydrophobicContact CD2-CD1 4.08Å; I608-L612 HydrophobicContact CG2-CD1 4.13Å; I608-L612 WeakPolarHBondContact O-CG 3.26Å; I608-L612 PolarHBondContact O-N 2.86Å; T609-L612 PolarHBondContact O-N 3.08Å; L612-Q614 VanDerWaalsContact C-N 3.34Å; L612-E615 PolarHBondContact O-N 3.37Å; L612-L616 WeakPolarHBondContact O-CB 3.38Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.46Å
613	I	89.2	Confident	82.2	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.077	42%	0.423	C	S	.	.	H	α-helix	trans	-60.6	-45.4	172.5	-70.4	162.4	0	0	0	109.8	I596 L599 K600 T609 A610 E615 L616 E617	I596-I613 HydrophobicContact CG2-CG2 4.28Å; L599-I613 HydrophobicContact CB-CD1 3.95Å; L599-I613 HydrophobicContact CB-CG1 3.69Å; L599-I613 HydrophobicContact CD1-CG1 4.01Å; K600-I613 HydrophobicContact CG-CD1 3.69Å; T609-I613 WeakPolarHBondContact O-CB 3.31Å; T609-I613 WeakPolarHBondContact O-CD1 3.22Å; T609-I613 VanDerWaalsContact O-CG1 3.23Å; T609-I613 WeakPolarHBondContact O-CG1 3.42Å; T609-I613 PolarHBondContact O-N 3.39Å; A610-I613 PolarHBondContact O-N 3.45Å; I613-E615 VanDerWaalsContact C-N 3.34Å; I613-E615 PolarHBondContact O-N 3.35Å; I613-L616 PolarHBondContact O-N 3.34Å; I613-E617 HydrophobicContact CG2-CG 4.27Å; I613-E617 WeakPolarHBondContact O-CB 3.45Å; I613-E617 WeakPolarHBondContact O-CG 3.45Å; I613-E617 PolarHBondContact O-N 2.86Å
614	Q	88	Confident	81.3	Confident	143 Å²	143	77.1 Å²	77.1	67%	0.668	44%	0.436	S	S	*	.	H	α-helix	trans	-62.7	-37.6	177.6	-169.3	177.7	18.6	0	0	112.6	A610 A611 L612 A618	A610-Q614 WeakPolarHBondContact O-CB 3.21Å; A610-Q614 PolarHBondContact O-N 3.03Å; A611-Q614 PolarHBondContact O-N 3.2Å; L612-Q614 VanDerWaalsContact C-N 3.34Å; Q614-A618 VanDerWaalsContact O-CB 3.28Å; Q614-A618 WeakPolarHBondContact O-CB 3.21Å; Q614-A618 PolarHBondContact O-N 3.47Å
615	E	88.8	Confident	80.5	Confident	139 Å²	139	74.2 Å²	74.2	65%	0.65	42%	0.422	S	S	*	.	H	α-helix	trans	-68.9	-40.7	175.3	-173.4	166.1	-161.9	0	0	112.1	A611 L612 I613 A618 S619	A611-E615 PolarHBondContact O-N 2.86Å; L612-E615 PolarHBondContact O-N 3.37Å; I613-E615 VanDerWaalsContact C-N 3.34Å; I613-E615 PolarHBondContact O-N 3.35Å; E615-A618 PolarHBondContact O-N 2.91Å; E615-S619 PolarHBondContact O-N 3.23Å
616	L	89.3	Confident	79.7	Confident	24 Å²	24	72.1 Å²	72.1	13%	0.126	40%	0.404	C	S	.	.	H	α-helix	trans	-68.4	-41.3	175.8	-73.1	169.7	0	0	0	112.6	I592 E595 I596 L599 L612 I613 A618 S619 K620	I592-L616 HydrophobicContact CG2-CB 4.23Å; I592-L616 HydrophobicContact CG2-CD2 4.49Å; E595-L616 HydrophobicContact CB-CD1 4.07Å; E595-L616 HydrophobicContact CG-CD1 3.72Å; I596-L616 HydrophobicContact CD1-CB 3.97Å; I596-L616 HydrophobicContact CG1-CB 3.69Å; I596-L616 HydrophobicContact CG1-CD1 4Å; L599-L616 HydrophobicContact CD1-CD1 3.5Å; L599-L616 VanDerWaalsContact CD1-CD1 3.5Å; L612-L616 WeakPolarHBondContact O-CB 3.38Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.46Å; I613-L616 PolarHBondContact O-N 3.34Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-S619 WeakPolarHBondContact O-CA 3.19Å; L616-S619 WeakPolarHBondContact O-CB 3.35Å; L616-S619 PolarHBondContact O-N 3.5Å; L616-S619 PolarHBondContact O-OG 3.44Å; L616-K620 PolarHBondContact O-N 3Å
617	E	87.6	Confident	78.4	Confident	91 Å²	91	74.3 Å²	74.3	43%	0.425	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-39.8	173.2	-72.6	178.8	176.1	0	0	111	I596 K600 I613 S619 K620	I596-E617 HydrophobicContact CD1-CG 3.78Å; K600-E617 IonicContact NZ-OE1 2.99Å; I613-E617 HydrophobicContact CG2-CG 4.27Å; I613-E617 WeakPolarHBondContact O-CB 3.45Å; I613-E617 WeakPolarHBondContact O-CG 3.45Å; I613-E617 PolarHBondContact O-N 2.86Å; E617-S619 VanDerWaalsContact C-N 3.3Å; E617-S619 PolarHBondContact O-N 3.06Å; E617-K620 WeakPolarHBondContact O-CB 3.25Å; E617-K620 PolarHBondContact O-N 3.1Å
618	A	85.5	Confident	76.8	Confident	45 Å²	45	75 Å²	75	37%	0.372	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-30.6	170.6	0	0	0	0	0	112.9	Q614 E615 L616 H622	Q614-A618 VanDerWaalsContact O-CB 3.28Å; Q614-A618 WeakPolarHBondContact O-CB 3.21Å; Q614-A618 PolarHBondContact O-N 3.47Å; E615-A618 PolarHBondContact O-N 2.91Å; L616-A618 VanDerWaalsContact C-N 3.34Å; A618-H622 PolarHBondContact O-ND1 3.37Å
619	S	83.1	Confident	75.4	Confident	37 Å²	37	70.1 Å²	70.1	26%	0.259	38%	0.376	S	S	.	.	H	α-helix	trans	-68.7	-35.3	173.6	90.3	0	0	0	0	112	E615 L616 E617 L621 H622 V623	E615-S619 PolarHBondContact O-N 3.23Å; L616-S619 WeakPolarHBondContact O-CA 3.19Å; L616-S619 WeakPolarHBondContact O-CB 3.35Å; L616-S619 PolarHBondContact O-N 3.5Å; L616-S619 PolarHBondContact O-OG 3.44Å; E617-S619 VanDerWaalsContact C-N 3.3Å; E617-S619 PolarHBondContact O-N 3.06Å; S619-L621 VanDerWaalsContact C-N 3.29Å; S619-L621 PolarHBondContact O-N 2.79Å; S619-H622 CarbonylContact O-C 3.47Å; S619-H622 WeakPolarHBondContact O-CA 3.36Å; S619-H622 WeakPolarHBondContact O-CB 3.44Å; S619-H622 PolarHBondContact O-N 3.09Å; S619-V623 PolarHBondContact O-N 3.14Å
620	K	84.4	Confident	73.9	Confident	67 Å²	67	72.2 Å²	72.2	29%	0.291	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-39	177.8	-163.2	173.2	-171.1	169.9	0	112	L589 I592 D593 L616 E617 H622 V623 H624	L589-K620 HydrophobicContact CG-CG 4.42Å; I592-K620 HydrophobicContact CG2-CB 4.47Å; D593-K620 WeakPolarHBondContact OD1-CE 3.07Å; D593-K620 IonicContact OD1-NZ 3.72Å; D593-K620 PolarHBondContact OD1-NZ 3.04Å; D593-K620 IonicContact OD2-NZ 2.73Å; D593-K620 PolarHBondContact OD2-NZ 2.65Å; L616-K620 PolarHBondContact O-N 3Å; E617-K620 WeakPolarHBondContact O-CB 3.25Å; E617-K620 PolarHBondContact O-N 3.1Å; K620-H622 VanDerWaalsContact C-N 3.34Å; K620-H622 PolarHBondContact O-N 3.33Å; K620-V623 PolarHBondContact O-N 3.09Å; K620-H624 PolarHBondContact O-N 3.15Å
621	L	74.9	Confident	72.4	Confident	133 Å²	133	74.7 Å²	74.7	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-62.4	-38.3	172.3	-61.7	176.3	0	0	0	112.4	S619 H624 E625	S619-L621 VanDerWaalsContact C-N 3.29Å; S619-L621 PolarHBondContact O-N 2.79Å; L621-H624 WeakPolarHBondContact O-CB 3.49Å; L621-H624 PolarHBondContact O-N 2.98Å; L621-E625 PolarHBondContact O-N 2.94Å
622	H	67	Low	71.1	Confident	119 Å²	119	74.3 Å²	74.3	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-73.3	-27.4	177.4	-73.2	91.6	0	0	0	113.6	A618 S619 K620 H624 E625	A618-H622 PolarHBondContact O-ND1 3.37Å; S619-H622 CarbonylContact O-C 3.47Å; S619-H622 WeakPolarHBondContact O-CA 3.36Å; S619-H622 WeakPolarHBondContact O-CB 3.44Å; S619-H622 PolarHBondContact O-N 3.09Å; K620-H622 VanDerWaalsContact C-N 3.34Å; K620-H622 PolarHBondContact O-N 3.33Å; H622-H624 VanDerWaalsContact C-N 3.25Å; H622-E625 IonicContact CD2-OE2 3.89Å; H622-E625 PolarHBondContact O-N 3.07Å
623	V	66.2	Low	69.7	Low	30 Å²	30	72.1 Å²	72.1	18%	0.182	38%	0.382	C	S	.	.	H	α-helix	trans	-69.8	-27.5	169.4	-178.2	0	0	0	0	111	L585 K588 L589 I592 S619 K620 E625	L585-V623 HydrophobicContact CD1-CG1 3.76Å; L585-V623 HydrophobicContact CG-CG1 3.9Å; K588-V623 HydrophobicContact CB-CG1 4.3Å; L589-V623 HydrophobicContact CD1-CB 4.34Å; L589-V623 HydrophobicContact CD1-CG1 3.6Å; I592-V623 HydrophobicContact CD1-CG2 3.77Å; S619-V623 PolarHBondContact O-N 3.14Å; K620-V623 PolarHBondContact O-N 3.09Å; V623-E625 VanDerWaalsContact C-N 3.34Å
624	H	58.2	Low	68.3	Low	106 Å²	106	76 Å²	76	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-78.8	-15.6	176.8	-141.8	-102.9	0	0	0	114	R581 K620 L621 H622 T626	R581-H624 PolarHBondContact NH1-NE2 3.2Å; R581-H624 PolarHBondContact NH2-CE1 3.21Å; R581-H624 PolarHBondContact NH2-NE2 3.11Å; K620-H624 PolarHBondContact O-N 3.15Å; L621-H624 WeakPolarHBondContact O-CB 3.49Å; L621-H624 PolarHBondContact O-N 2.98Å; H622-H624 VanDerWaalsContact C-N 3.25Å; H624-T626 VanDerWaalsContact C-N 3.31Å; H624-T626 PolarHBondContact O-N 3.38Å
625	E	55.8	Low	66.8	Low	63 Å²	63	76.5 Å²	76.5	29%	0.294	41%	0.406	S	S	.	.	S	Bend	trans	-70.8	85.4	168.8	-170	-170.6	169.5	0	0	109.1	L621 H622 V623 D627 K646 R651	L621-E625 PolarHBondContact O-N 2.94Å; H622-E625 IonicContact CD2-OE2 3.89Å; H622-E625 PolarHBondContact O-N 3.07Å; V623-E625 VanDerWaalsContact C-N 3.34Å; E625-D627 PolarHBondContact O-N 3.12Å; E625-K646 WeakPolarHBondContact OE1-CD 3.17Å; E625-K646 WeakPolarHBondContact OE1-CE 3.36Å; E625-K646 IonicContact OE1-NZ 2.82Å; E625-K646 PolarHBondContact OE1-NZ 2.78Å; E625-K646 IonicContact OE2-NZ 2.66Å; E625-K646 PolarHBondContact OE2-NZ 3.14Å; E625-R651 IonicContact OE1-CZ 2.66Å; E625-R651 IonicContact OE1-NH2 2.72Å; E625-R651 PolarHBondContact OE1-NH2 2.74Å; E625-R651 IonicContact OE2-NH2 3.67Å; E625-R651 PolarHBondContact OE2-NH2 3.11Å
626	T	55.2	Low	65	Low	79 Å²	79	72.8 Å²	72.8	49%	0.485	40%	0.396	S	S	.	.			trans	-51.1	132.8	178.5	45	0	0	0	0	110.3	H624 L628	H624-T626 VanDerWaalsContact C-N 3.31Å; H624-T626 PolarHBondContact O-N 3.38Å; T626-L628 PolarHBondContact O-N 2.88Å
627	D	54.3	Low	62.9	Low	96 Å²	96	78 Å²	78	51%	0.513	43%	0.431	S	S	.	.			trans	-78.9	58.1	-168.8	-132.4	-7.5	0	0	0	110.4	E625 D629 R651 Y654	E625-D627 PolarHBondContact O-N 3.12Å; D627-D629 PolarHBondContact O-N 2.85Å; D627-R651 IonicContact OD1-CZ 3.51Å; D627-R651 IonicContact OD1-NE 3.84Å; D627-R651 IonicContact OD1-NH1 3.76Å; D627-R651 PolarHBondContact OD1-NH1 2.91Å; D627-R651 IonicContact OD2-NH1 2.9Å; D627-Y654 VanDerWaalsContact C-OH 3.3Å; D627-Y654 WeakPolarHBondContact CB-OH 3.19Å; D627-Y654 PolarHBondContact O-OH 3.27Å; D627-Y654 PolarHBondContact OD1-OH 3.02Å
628	L	51.6	Low	61	Low	77 Å²	77	78.3 Å²	78.3	40%	0.403	44%	0.435	S	S	.	.			trans	-62.9	126.7	179.4	-67.1	174.6	0	0	0	109.2	T626 A633	T626-L628 PolarHBondContact O-N 2.88Å; L628-A633 HydrophobicContact CB-CB 4.45Å
629	D	55.1	Low	59.6	Low	21 Å²	21	80.9 Å²	80.9	11%	0.112	46%	0.457	C	S	.	.			trans	-61.2	141.1	165.2	-164.3	-58.7	0	0	0	108.8	R547 D627 I631 S632 A633 Y654	R547-D629 IonicContact CZ-OD2 3.84Å; R547-D629 IonicContact NH1-OD2 2.65Å; R547-D629 PolarHBondContact NH1-OD2 3.03Å; R547-D629 IonicContact NH2-OD2 2.73Å; R547-D629 PolarHBondContact NH2-OD2 3.44Å; D627-D629 PolarHBondContact O-N 2.85Å; D629-I631 HydrophobicContact CB-CB 4.35Å; D629-I631 PolarHBondContact O-N 3.42Å; D629-I631 VanDerWaalsContact OD1-CB 3.29Å; D629-I631 WeakPolarHBondContact OD1-CB 3.31Å; D629-I631 VanDerWaalsContact OD1-CG1 3.32Å; D629-I631 WeakPolarHBondContact OD1-CG1 3.06Å; D629-I631 PolarHBondContact OD1-N 2.86Å; D629-S632 PolarHBondContact N-OG 3.39Å; D629-S632 PolarHBondContact O-N 2.82Å; D629-S632 PolarHBondContact O-OG 3.15Å; D629-S632 VanDerWaalsContact O-OG 3.07Å; D629-A633 PolarHBondContact O-N 3.15Å; D629-Y654 VanDerWaalsContact CA-CE1 3.43Å; D629-Y654 HydrophobicContact CB-CD1 3.82Å; D629-Y654 HydrophobicContact CB-CE1 3.82Å; D629-Y654 WeakPolarHBondContact OD2-CD1 3.48Å
630	P	54	Low	58.6	Low	60 Å²	60	86.2 Å²	86.2	39%	0.39	48%	0.483	S	S	.	.	H	α-helix	trans	-48.8	-27.1	166.1	17.2	-30.7	0	0	0	113.4	S634	P630-S634 VanDerWaalsContact O-CB 3.28Å; P630-S634 WeakPolarHBondContact O-CB 3.49Å; P630-S634 PolarHBondContact O-N 3.22Å; P630-S634 PolarHBondContact O-OG 2.99Å
631	I	57.4	Low	57.2	Low	99 Å²	99	87.7 Å²	87.7	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-45.4	170.5	-63.8	171.5	0	0	0	112.3	D629 S634 R635	D629-I631 HydrophobicContact CB-CB 4.35Å; D629-I631 PolarHBondContact O-N 3.42Å; D629-I631 VanDerWaalsContact OD1-CB 3.29Å; D629-I631 WeakPolarHBondContact OD1-CB 3.31Å; D629-I631 VanDerWaalsContact OD1-CG1 3.32Å; D629-I631 WeakPolarHBondContact OD1-CG1 3.06Å; D629-I631 PolarHBondContact OD1-N 2.86Å; I631-S634 PolarHBondContact O-N 2.91Å; I631-S634 PolarHBondContact O-OG 3.05Å; I631-R635 WeakPolarHBondContact O-CG 3.27Å; I631-R635 PolarHBondContact O-N 3.03Å
632	S	60.3	Low	56.2	Low	44 Å²	44	88.9 Å²	88.9	31%	0.308	50%	0.499	S	S	.	.	H	α-helix	trans	-76.3	-33	177.7	56.9	0	0	0	0	112.6	D629 S634 R635 S636	D629-S632 PolarHBondContact N-OG 3.39Å; D629-S632 PolarHBondContact O-N 2.82Å; D629-S632 PolarHBondContact O-OG 3.15Å; D629-S632 VanDerWaalsContact O-OG 3.07Å; S632-S634 VanDerWaalsContact C-N 3.34Å; S632-R635 CarbonylContact O-C 3.59Å; S632-R635 PolarHBondContact O-N 3.28Å; S632-S636 PolarHBondContact O-N 3.48Å; S632-S636 PolarHBondContact O-OG 3.41Å
633	A	58	Low	55.5	Low	26 Å²	26	85.4 Å²	85.4	22%	0.215	49%	0.487	C	S	.	.	H	α-helix	trans	-59.8	-43.8	168.5	0	0	0	0	0	111.1	L628 D629 R635 S636 P643	L628-A633 HydrophobicContact CB-CB 4.45Å; D629-A633 PolarHBondContact O-N 3.15Å; A633-R635 PolarHBondContact O-N 2.9Å; A633-S636 WeakPolarHBondContact O-CB 3.34Å; A633-S636 PolarHBondContact O-N 3.31Å; A633-S636 VanDerWaalsContact O-N 3.16Å; A633-P643 HydrophobicContact CB-CB 4.33Å; A633-P643 HydrophobicContact CB-CG 4.29Å
634	S	59.4	Low	54.9	Low	98 Å²	98	87.2 Å²	87.2	69%	0.685	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-2.9	173.4	73.5	0	0	0	0	115.3	P630 I631 S632	P630-S634 VanDerWaalsContact O-CB 3.28Å; P630-S634 WeakPolarHBondContact O-CB 3.49Å; P630-S634 PolarHBondContact O-N 3.22Å; P630-S634 PolarHBondContact O-OG 2.99Å; I631-S634 PolarHBondContact O-N 2.91Å; I631-S634 PolarHBondContact O-OG 3.05Å; S632-S634 VanDerWaalsContact C-N 3.34Å
635	R	56.1	Low	54.5	Low	152 Å²	152	90.8 Å²	90.8	57%	0.574	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	1.4	176.9	-76.3	176.1	157.9	-104	-7.1	113.2	I631 S632 A633 P637	I631-R635 WeakPolarHBondContact O-CG 3.27Å; I631-R635 PolarHBondContact O-N 3.03Å; S632-R635 CarbonylContact O-C 3.59Å; S632-R635 PolarHBondContact O-N 3.28Å; A633-R635 PolarHBondContact O-N 2.9Å; R635-P637 VanDerWaalsContact O-CD 3.27Å; R635-P637 WeakPolarHBondContact O-CD 3.45Å
636	S	52.9	Low	54.5	Low	62 Å²	62	92.1 Å²	92.1	43%	0.434	53%	0.527	S	S	.	.			trans	-83.7	110.8	-179.7	-61	0	0	0	0	109.7	S632 A633 N638	S632-S636 PolarHBondContact O-N 3.48Å; S632-S636 PolarHBondContact O-OG 3.41Å; A633-S636 WeakPolarHBondContact O-CB 3.34Å; A633-S636 PolarHBondContact O-N 3.31Å; A633-S636 VanDerWaalsContact O-N 3.16Å; S636-N638 PolarHBondContact O-N 3.33Å; S636-N638 VanDerWaalsContact O-N 3.16Å
637	P	44.8	Very low	54.5	Low	134 Å²	134	92.5 Å²	92.5	87%	0.87	53%	0.529	S	S	*	.			trans	-77.8	3.1	-170.8	-16.1	32.7	0	0	0	115.2	R635 A639	R635-P637 VanDerWaalsContact O-CD 3.27Å; R635-P637 WeakPolarHBondContact O-CD 3.45Å; P637-A639 PolarHBondContact O-N 2.84Å; P637-A639 VanDerWaalsContact O-N 3.13Å
638	N	48.1	Very low	54.3	Low	96 Å²	96	94.4 Å²	94.4	51%	0.513	53%	0.529	S	S	.	.			trans	-84.4	91.6	-169.1	-170.2	2.5	0	0	0	111.8	S636 N640 V641	S636-N638 PolarHBondContact O-N 3.33Å; S636-N638 VanDerWaalsContact O-N 3.16Å; N638-N640 PolarHBondContact O-N 3.29Å; N638-N640 PolarHBondContact OD1-N 2.91Å; N638-V641 PolarHBondContact O-N 3.02Å
639	A	55.6	Low	54.4	Low	100 Å²	100	99.7 Å²	99.7	83%	0.826	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.1	179.5	0	0	0	0	0	115	P637	P637-A639 PolarHBondContact O-N 2.84Å; P637-A639 VanDerWaalsContact O-N 3.13Å
640	N	60.8	Low	54.5	Low	148 Å²	148	108 Å²	108	79%	0.791	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-2.8	-177.7	-63.7	-6.7	0	0	0	113.9	N638	N638-N640 PolarHBondContact O-N 3.29Å; N638-N640 PolarHBondContact OD1-N 2.91Å
641	V	56.4	Low	54.3	Low	98 Å²	98	108.9 Å²	108.9	59%	0.594	57%	0.57	S	S	*	*			trans	-139.9	106.8	-179	-176.2	0	0	0	0	111	N638 P643	N638-V641 PolarHBondContact O-N 3.02Å; V641-P643 WeakPolarHBondContact O-CD 3.39Å
642	E	54.4	Low	54.1	Low	159 Å²	159	111.7 Å²	111.7	74%	0.743	58%	0.581	S	S	*	*			trans	-72.7	124.5	170.8	-69	-167.4	167.7	0	0	111.4	G644	E642-G644 PolarHBondContact O-N 2.59Å
643	P	50.7	Low	54	Low	46 Å²	46	112.3 Å²	112.3	30%	0.299	60%	0.595	S	S	.	*			trans	-70.7	127.5	173.4	-18	32.6	0	0	0	111.3	A633 V641 Y645	A633-P643 HydrophobicContact CB-CB 4.33Å; A633-P643 HydrophobicContact CB-CG 4.29Å; V641-P643 WeakPolarHBondContact O-CD 3.39Å; P643-Y645 PolarHBondContact O-N 2.86Å
644	G	54.6	Low	53.7	Low	67 Å²	67	112.5 Å²	112.5	69%	0.691	59%	0.59	S	S	*	*			trans	-56.8	105.2	-176.6	0	0	0	0	0	114.2	E642 K646	E642-G644 PolarHBondContact O-N 2.59Å; G644-K646 PolarHBondContact O-N 2.78Å
645	Y	50.1	Low	53.5	Low	181 Å²	181	109.9 Å²	109.9	71%	0.71	57%	0.57	S	S	*	*			trans	-68.8	91.4	-170.6	-55.7	-73.4	0	0	0	114.2	P643	P643-Y645 PolarHBondContact O-N 2.86Å
646	K	55.8	Low	53	Low	91 Å²	91	106.1 Å²	106.1	40%	0.396	57%	0.567	S	S	.	*			trans	-90.6	123.1	165	-71.1	170.1	-174.7	170.2	0	109.5	E625 G644	E625-K646 WeakPolarHBondContact OE1-CD 3.17Å; E625-K646 WeakPolarHBondContact OE1-CE 3.36Å; E625-K646 IonicContact OE1-NZ 2.82Å; E625-K646 PolarHBondContact OE1-NZ 2.78Å; E625-K646 IonicContact OE2-NZ 2.66Å; E625-K646 PolarHBondContact OE2-NZ 3.14Å; G644-K646 PolarHBondContact O-N 2.78Å
647	T	53.9	Low	52.8	Low	88 Å²	88	106.7 Å²	106.7	54%	0.54	57%	0.569	S	S	.	*			trans	-55.9	144.4	-176.4	58.8	0	0	0	0	112.1	Y649 R650	T647-Y649 PolarHBondContact O-N 2.89Å; T647-R650 WeakPolarHBondContact O-CB 3.32Å; T647-R650 PolarHBondContact O-N 2.94Å
648	R	50.6	Low	53	Low	135 Å²	135	105.4 Å²	105.4	51%	0.509	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50	-28.9	-179.8	-172.9	-177.3	-69.9	174.6	-1.1	114.4	R650 T655	R648-R650 VanDerWaalsContact C-N 3.35Å; R648-T655 HydrophobicContact CG-CG2 4.27Å
649	Y	53.1	Low	53.1	Low	189 Å²	189	110.4 Å²	110.4	74%	0.741	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-5	178.7	-56.3	-68.5	0	0	0	114.8	T647	T647-Y649 PolarHBondContact O-N 2.89Å
650	R	57.3	Low	52.5	Low	196 Å²	196	109.6 Å²	109.6	74%	0.74	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-23	-176.9	-129.6	175.5	-177.7	176.7	-0.2	113.8	T647 R648	T647-R650 WeakPolarHBondContact O-CB 3.32Å; T647-R650 PolarHBondContact O-N 2.94Å; R648-R650 VanDerWaalsContact C-N 3.35Å
651	R	50	Low	51.7	Low	78 Å²	78	108.4 Å²	108.4	29%	0.294	56%	0.555	S	S	.	*			trans	-120.5	106.6	171.8	-68.1	-169.1	-171.7	-122.9	-5.2	109.9	E625 D627 G653 Y654	E625-R651 IonicContact OE1-CZ 2.66Å; E625-R651 IonicContact OE1-NH2 2.72Å; E625-R651 PolarHBondContact OE1-NH2 2.74Å; E625-R651 IonicContact OE2-NH2 3.67Å; E625-R651 PolarHBondContact OE2-NH2 3.11Å; D627-R651 IonicContact OD1-CZ 3.51Å; D627-R651 IonicContact OD1-NE 3.84Å; D627-R651 IonicContact OD1-NH1 3.76Å; D627-R651 PolarHBondContact OD1-NH1 2.91Å; D627-R651 IonicContact OD2-NH1 2.9Å; R651-G653 PolarHBondContact O-N 3.04Å; R651-G653 VanDerWaalsContact O-N 3.15Å; R651-Y654 HydrophobicContact CB-CD2 3.88Å; R651-Y654 HydrophobicContact CB-CE2 4.35Å; R651-Y654 PolarHBondContact O-N 2.87Å
652	H	54.1	Low	51.1	Low	157 Å²	157	114.8 Å²	114.8	73%	0.727	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-64.5	-16.7	-176.1	-71.2	-65.3	0	0	0	115.1	Y654 T655	H652-Y654 PolarHBondContact O-N 3.01Å; H652-Y654 VanDerWaalsContact O-N 3.16Å; H652-T655 PolarHBondContact O-OG1 3.07Å
653	G	57	Low	50.5	Low	58 Å²	58	116.9 Å²	116.9	60%	0.598	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-67.5	-9	177.9	0	0	0	0	0	116	R547 R651	R547-G653 PolarHBondContact NH2-O 2.71Å; R651-G653 PolarHBondContact O-N 3.04Å; R651-G653 VanDerWaalsContact O-N 3.15Å
654	Y	53	Low	49.8	Very low	30 Å²	30	121.6 Å²	121.6	12%	0.118	59%	0.592	C	S	.	*	G	3₁₀ helix	trans	-119.9	-1.1	-172.3	-60.1	-89.1	0	0	0	113.7	D627 D629 R651 H652	D627-Y654 VanDerWaalsContact C-OH 3.3Å; D627-Y654 WeakPolarHBondContact CB-OH 3.19Å; D627-Y654 PolarHBondContact O-OH 3.27Å; D627-Y654 PolarHBondContact OD1-OH 3.02Å; D629-Y654 VanDerWaalsContact CA-CE1 3.43Å; D629-Y654 HydrophobicContact CB-CD1 3.82Å; D629-Y654 HydrophobicContact CB-CE1 3.82Å; D629-Y654 WeakPolarHBondContact OD2-CD1 3.48Å; R651-Y654 HydrophobicContact CB-CD2 3.88Å; R651-Y654 HydrophobicContact CB-CE2 4.35Å; R651-Y654 PolarHBondContact O-N 2.87Å; H652-Y654 PolarHBondContact O-N 3.01Å; H652-Y654 VanDerWaalsContact O-N 3.16Å
655	T	54.4	Low	48.9	Very low	43 Å²	43	130 Å²	130	26%	0.264	60%	0.603	S	S	.	*	S	Bend	trans	-74.1	136.9	176.4	31.8	0	0	0	0	112	R648 H652	R648-T655 HydrophobicContact CG-CG2 4.27Å; H652-T655 PolarHBondContact O-OG1 3.07Å
656	S	44.9	Very low	48.2	Very low	72 Å²	72	132.8 Å²	132.8	50%	0.503	61%	0.612	S	S	.	*			trans	-61.7	135.1	-178.6	-47.2	0	0	0	0	111.3	S658	S656-S658 PolarHBondContact O-N 3.5Å
657	P	49.2	Very low	47.4	Very low	74 Å²	74	133.7 Å²	133.7	48%	0.481	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-61.2	0	-170.1	-27.7	35.7	0	0	0	118.1	R659 D660	P657-R659 PolarHBondContact O-N 3.16Å; P657-D660 PolarHBondContact O-N 3.36Å
658	S	49.9	Very low	46.3	Very low	107 Å²	107	133 Å²	133	75%	0.748	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-67.8	-3.2	-172.7	-43.9	0	0	0	0	115.2	S656	S656-S658 PolarHBondContact O-N 3.5Å
659	R	48.2	Very low	45.6	Very low	202 Å²	202	135.3 Å²	135.3	76%	0.762	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-111.4	-25	178	-76.3	-179.1	63.2	149	-4.2	114.7	P657	P657-R659 PolarHBondContact O-N 3.16Å
660	D	43.4	Very low	44.7	Very low	83 Å²	83	134.1 Å²	134.1	44%	0.444	66%	0.663	S	S	.	*	G	3₁₀ helix	trans	-86	-18.6	-167.6	-51.1	-42.5	0	0	0	112.9	P657 R662 R663	P657-D660 PolarHBondContact O-N 3.36Å; D660-R662 PolarHBondContact O-N 2.95Å; D660-R663 PolarHBondContact O-N 2.93Å; D660-R663 VanDerWaalsContact O-N 3.08Å
661	T	44.4	Very low	43.4	Very low	122 Å²	122	133.5 Å²	133.5	75%	0.748	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-60.5	2.6	172.3	57.8	0	0	0	0	114.9
662	R	43.2	Very low	42.6	Very low	232 Å²	232	135.3 Å²	135.3	88%	0.875	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-126.9	6.5	176.1	-72.7	-167.2	172.8	-156.8	-0.5	115.4	D660	D660-R662 PolarHBondContact O-N 2.95Å
663	R	42.1	Very low	41.5	Very low	204 Å²	204	137.5 Å²	137.5	77%	0.77	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-40.9	179.8	-75.5	-167.3	168.7	-160.4	-6.3	115.7	D660 R665	D660-R663 PolarHBondContact O-N 2.93Å; D660-R663 VanDerWaalsContact O-N 3.08Å; R663-R665 PolarHBondContact O-N 3.47Å
664	D	37.5	Very low	40.3	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	71%	0.712	S	S	*	*			trans	-86.1	65.4	-170.8	-59.9	-29.3	0	0	0	113.2
665	R	35.4	Very low	39.3	Very low	244 Å²	244	148.5 Å²	148.5	92%	0.921	73%	0.732	S	S	*	*			trans	-122.1	48.2	162.2	-113.1	-167.5	-177.9	-164.4	1.7	110.5	R663	R663-R665 PolarHBondContact O-N 3.47Å
666	R	35.8	Very low	38.3	Very low	238 Å²	238	155 Å²	155	90%	0.898	76%	0.759	S	S	*	*			trans	-128	97.9	165.2	-69.7	-170.3	-179.3	-112.9	-2	109
667	S	38.8	Very low	37.6	Very low	111 Å²	111	160.9 Å²	160.9	78%	0.776	77%	0.772	S	S	*	*			trans	-61.3	153.6	164.2	-164.3	0	0	0	0	109.4	H669	S667-H669 PolarHBondContact O-N 3.34Å
668	G	30.2	Very low	36.8	Very low	74 Å²	74	162.5 Å²	162.5	76%	0.763	79%	0.785	S	S	*	*			trans	-59.4	125	-173.3	0	0	0	0	0	113
669	H	35.8	Very low	36.1	Very low	182 Å²	182	162 Å²	162	84%	0.843	78%	0.782	S	S	*	*			trans	-119.3	133.9	157.6	-83	-90.1	0	0	0	107.8	S667	S667-H669 PolarHBondContact O-N 3.34Å
670	N	34	Very low	35.4	Very low	165 Å²	165	159.1 Å²	159.1	88%	0.882	79%	0.787	S	S	*	*			trans	-64	150.1	-177.8	-75.9	-36.9	0	0	0	112	S672	N670-S672 PolarHBondContact O-N 2.93Å
671	L	30.8	Very low	35	Very low	182 Å²	182	159.1 Å²	159.1	95%	0.953	81%	0.807	S	S	*	*			trans	-62.8	122.6	178.3	-74.1	156.5	0	0	0	111.1
672	S	33.2	Very low	34.3	Very low	117 Å²	117	156.9 Å²	156.9	82%	0.818	81%	0.808	S	S	*	*			trans	-135.9	153.6	148	71.6	0	0	0	0	109.2	N670	N670-S672 PolarHBondContact O-N 2.93Å
673	Y	30.7	Very low	33.9	Very low	202 Å²	202	158.1 Å²	158.1	79%	0.792	81%	0.813	S	S	*	*			trans	-90.3	126.3	-156.8	167.4	-85.1	0	0	0	113.3	L675	Y673-L675 HydrophobicContact CD2-CD1 4.26Å; Y673-L675 HydrophobicContact CE2-CD1 3.73Å
674	R	31.5	Very low	33.4	Very low	214 Å²	214	154.7 Å²	154.7	81%	0.808	82%	0.82	S	S	*	*			trans	-160.5	131.1	140.2	-147	173.3	178.4	107.4	-0.8	111.5
675	L	31.5	Very low	33.3	Very low	106 Å²	106	151.5 Å²	151.5	56%	0.555	82%	0.821	S	S	*	*			trans	-84.6	151.6	166.3	-79.6	71	0	0	0	109.7	Y673	Y673-L675 HydrophobicContact CD2-CD1 4.26Å; Y673-L675 HydrophobicContact CE2-CD1 3.73Å
676	E	33.7	Very low	33.2	Very low	178 Å²	178	146.6 Å²	146.6	83%	0.832	82%	0.819	S	S	*	*			trans	-152.3	169.2	134.6	-119.1	163.8	-118.6	0	0	110.8
677	Y	30.6	Very low	33.1	Very low	196 Å²	196	143.3 Å²	143.3	77%	0.769	82%	0.817	S	S	*	*			trans	-101.9	173.2	-146.7	-98.3	-105.7	0	0	0	116.3
678	S	32.9	Very low	32.8	Very low	109 Å²	109	143.3 Å²	143.3	76%	0.762	81%	0.814	S	S	*	*			trans	92.3	118	161.3	-46.1	0	0	0	0	115.5
679	S	33.5	Very low	32.8	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	81%	0.814	S	S	*	*			cis	95.9	119.3	31.6	-63.9	0	0	0	0	114.4
680	T	35	Very low	32.3	Very low	140 Å²	140	145.7 Å²	145.7	86%	0.859	82%	0.815	S	S	*	*			trans	59.5	135.9	145.3	57.1	0	0	0	0	121.4
681	G	33.5	Very low	32.4	Very low	84 Å²	84	143.1 Å²	143.1	87%	0.866	81%	0.808	S	S	*	*			trans	92.7	119.5	143	0	0	0	0	0	115.8
682	G	30	Very low	32.2	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	80%	0.797	S	S	*	*			trans	-106.7	151.7	162.2	0	0	0	0	0	110.8
683	R	34.4	Very low	32	Very low	258 Å²	258	143.5 Å²	143.5	97%	0.974	80%	0.795	S	S	*	*			trans	-161.5	154.8	154.6	-109.5	165.6	-167.3	-138	0.8	110.4
684	S	32.8	Very low	32.1	Very low	132 Å²	132	143.9 Å²	143.9	92%	0.923	80%	0.796	S	S	*	*			trans	-77.6	145.8	-177.1	-44.7	0	0	0	0	112.1
685	G	35	Very low	32.1	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	78%	0.784	S	S	*	*			trans	-175.6	122.5	170.4	0	0	0	0	0	111.8
686	T	34.4	Very low	32	Very low	141 Å²	141	140.1 Å²	140.1	87%	0.865	79%	0.788	S	S	*	*			trans	-108.7	118.7	-172.2	48.7	0	0	0	0	112.8
687	I	32.4	Very low	31.9	Very low	169 Å²	169	140.1 Å²	140.1	87%	0.867	79%	0.788	S	S	*	*			trans	-136.3	144.5	160.4	-67	-172.1	0	0	0	107.3
688	P	32.9	Very low	31.9	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	79%	0.786	S	S	*	*			trans	-116.2	176	-145	42.6	-34.9	0	0	0	117.2
689	S	30.5	Very low	31.9	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	78%	0.779	S	S	*	*			trans	83.4	109.6	153.3	-60.6	0	0	0	0	120.8
690	F	26.2	Very low	31.8	Very low	199 Å²	199	139.1 Å²	139.1	87%	0.873	78%	0.781	S	S	*	*			trans	-30.6	172	151.7	-52.3	-82.6	0	0	0	118.3
691	P	34.1	Very low	31.7	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	78%	0.778	S	S	*	*			cis	-142	153	-40.1	37.2	-20.6	0	0	0	114.8
692	S	27.5	Very low	31.9	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	77%	0.774	S	S	*	*			trans	-162.7	146.4	159.9	-93.5	0	0	0	0	110.5
693	R	28.2	Very low	32	Very low	202 Å²	202	152 Å²	152	76%	0.762	78%	0.779	S	S	*	*				42	128.9	93.4	-54.5	178.4	173.7	176.9	-4.1	112.2
694	Y	33.4	Very low	31.9	Very low	210 Å²	210	143 Å²	143	82%	0.824	77%	0.766	S	S	*	*			cis	-106.5	145.9	23.8	-90	-121	0	0	0	112.1
695	D	31.8	Very low	32.1	Very low	102 Å²	102	145.6 Å²	145.6	55%	0.545	76%	0.764	S	S	.	*				66.8	120.7	63	-61	-63.5	0	0	0	110.8
696	H	30.1	Very low	32.1	Very low	139 Å²	139	151.5 Å²	151.5	64%	0.644	76%	0.763	S	S	*	*				70.6	99.4	66.3	-159	-8.6	0	0	0	111.7	Y698	H696-Y698 AromaticContact CE1-CD2 3.62Å; H696-Y698 AromaticContact CE1-CE2 3.24Å; H696-Y698 WeakPolarHBondContact CE1-CE2 3.21Å; H696-Y698 AromaticContact ND1-CD2 3.67Å; H696-Y698 AromaticContact ND1-CE2 3.75Å
697	E	30.9	Very low	32	Very low	177 Å²	177	152.6 Å²	152.6	83%	0.827	76%	0.761	S	S	*	*			trans	-162.2	124.4	137	-97.8	-176	131.1	0	0	106.7
698	Y	31	Very low	32	Very low	189 Å²	189	155.8 Å²	155.8	74%	0.741	76%	0.762	S	S	*	*				68.6	148.8	78.4	-78.7	-77.6	0	0	0	112.1	H696	H696-Y698 AromaticContact CE1-CD2 3.62Å; H696-Y698 AromaticContact CE1-CE2 3.24Å; H696-Y698 WeakPolarHBondContact CE1-CE2 3.21Å; H696-Y698 AromaticContact ND1-CD2 3.67Å; H696-Y698 AromaticContact ND1-CE2 3.75Å
699	A	31.6	Very low	32	Very low	74 Å²	74	155 Å²	155	61%	0.612	76%	0.759	S	S	*	*			cis	-157.5	173.9	24.1	0	0	0	0	0	114.2
700	V	32.9	Very low	32.2	Very low	118 Å²	118	154.9 Å²	154.9	72%	0.715	75%	0.754	S	S	*	*			trans	63.7	112.2	136.7	162.1	0	0	0	0	115.9
701	R	32.6	Very low	32.6	Very low	213 Å²	213	155.5 Å²	155.5	80%	0.804	75%	0.752	S	S	*	*			cis	-151.7	162.6	36.9	-68.5	-176.9	-179.1	174.6	-0.8	110.8
702	Q	37.3	Very low	32.7	Very low	165 Å²	165	155.9 Å²	155.9	77%	0.771	76%	0.757	S	S	*	*			cis	-150	144.6	-2.1	-129.6	157.4	-8.2	0	0	110
703	H	32.3	Very low	33.2	Very low	192 Å²	192	155.3 Å²	155.3	89%	0.889	76%	0.759	S	S	*	*			trans	-66.3	158.6	158	-68.6	-103.3	0	0	0	108.8
704	G	32.2	Very low	33.9	Very low	68 Å²	68	151.8 Å²	151.8	70%	0.701	76%	0.762	S	S	*	*			cis	144.3	154.4	10.4	0	0	0	0	0	108.1	Y706	G704-Y706 PolarHBondContact O-N 3.48Å
705	Q	36.8	Very low	34.1	Very low	188 Å²	188	152.9 Å²	152.9	88%	0.879	77%	0.765	S	S	*	*	S	Bend	trans	-74.2	123.6	-171.5	-75.6	177.3	-25.2	0	0	112.8
706	Y	34.7	Very low	34.6	Very low	201 Å²	201	154 Å²	154	79%	0.788	78%	0.778	S	S	*	*			trans	57.3	118.7	143.5	-80.2	-80.5	0	0	0	121.3	G704	G704-Y706 PolarHBondContact O-N 3.48Å
707	M	33.6	Very low	34.9	Very low	164 Å²	164	150.4 Å²	150.4	81%	0.808	78%	0.778	S	S	*	*			trans	95.3	130.8	147.7	-61.3	-59	-173.1	0	0	121.3
708	R	32.6	Very low	35.2	Very low	237 Å²	237	152 Å²	152	89%	0.894	78%	0.778	S	S	*	*			trans	77.1	90.7	154.4	-90.7	-178	168.8	-179.7	-3.4	121.2
709	S	32.5	Very low	35.5	Very low	93 Å²	93	148.9 Å²	148.9	65%	0.65	78%	0.779	S	S	*	*				85.3	119.2	109.4	-150.9	0	0	0	0	121.2
710	T	33.9	Very low	35.8	Very low	105 Å²	105	150.7 Å²	150.7	64%	0.644	79%	0.787	S	S	*	*			trans	70.6	109.5	135.7	48.5	0	0	0	0	123
711	Y	34.9	Very low	36	Very low	212 Å²	212	148.1 Å²	148.1	83%	0.831	78%	0.784	S	S	*	*			trans	76.8	118.7	132.1	-67.3	-56.7	0	0	0	124
712	S	35.9	Very low	36.1	Very low	119 Å²	119	145 Å²	145	83%	0.832	78%	0.782	S	S	*	*			trans	86.3	148.6	134.5	-60	0	0	0	0	121.6
713	A	37.8	Very low	36	Very low	93 Å²	93	144 Å²	144	77%	0.769	78%	0.781	S	S	*	*			trans	-112.4	-169	-177.1	0	0	0	0	0	110.7
714	P	42.5	Very low	36.3	Very low	128 Å²	128	143.7 Å²	143.7	83%	0.831	77%	0.773	S	S	*	*			cis	-145.3	-168.2	46.1	40.6	-17.5	0	0	0	117.1
715	R	38	Very low	36.5	Very low	233 Å²	233	143.6 Å²	143.6	88%	0.879	77%	0.773	S	S	*	*			trans	-85.1	178.3	172.9	-58.8	171.9	166.5	165	-8.4	112.5
716	P	42	Very low	36.5	Very low	127 Å²	127	145.2 Å²	145.2	83%	0.825	77%	0.771	S	S	*	*				-153.9	162.9	93.4	39.2	-21.1	0	0	0	119.2
717	G	36.2	Very low	36.6	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	77%	0.767	S	S	*	*			trans	99.6	171.1	154.3	0	0	0	0	0	119.2
718	Y	37.3	Very low	36.8	Very low	211 Å²	211	138.1 Å²	138.1	83%	0.827	77%	0.766	S	S	*	*			cis	-170.2	120.4	-27.8	-108.3	-57.5	0	0	0	112.6
719	T	38.6	Very low	37.1	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	75%	0.754	S	S	*	*			trans	44.5	153.9	141.8	49.5	0	0	0	0	123.7
720	S	37.9	Very low	37.3	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	76%	0.764	S	S	*	*			cis	-176.4	169.4	-7.4	48	0	0	0	0	112.1
721	G	36	Very low	37.7	Very low	64 Å²	64	134.8 Å²	134.8	66%	0.66	77%	0.767	S	S	*	*			trans	110.1	96.5	164.6	0	0	0	0	0	114.7
722	I	35.1	Very low	37.7	Very low	148 Å²	148	136.1 Å²	136.1	76%	0.759	77%	0.771	S	S	*	*			cis	79.4	122	43.3	-44.5	159	0	0	0	113.7
723	L	36.3	Very low	38	Very low	143 Å²	143	134.9 Å²	134.9	75%	0.749	76%	0.76	S	S	*	*				154.2	115.7	127.4	-77.7	174.4	0	0	0	114.3
724	Y	37.6	Very low	37.9	Very low	186 Å²	186	139.6 Å²	139.6	73%	0.729	76%	0.763	S	S	*	*			trans	41.5	146.9	151.3	-64.2	-93.5	0	0	0	124
725	G	37.5	Very low	37.6	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	76%	0.763	S	S	*	*			cis	154.3	167.7	-13.2	0	0	0	0	0	116.2
726	R	36.7	Very low	37.6	Very low	221 Å²	221	133.2 Å²	133.2	83%	0.834	75%	0.754	S	S	*	*			trans	63	148.5	156.9	-71.9	176.7	172.2	152	-3.8	118.4
727	A	36.3	Very low	37.5	Very low	87 Å²	87	134 Å²	134	72%	0.719	76%	0.756	S	S	*	*			cis	-149.2	-178.6	-12	0	0	0	0	0	107
728	V	37.6	Very low	37.6	Very low	129 Å²	129	138.5 Å²	138.5	78%	0.782	76%	0.76	S	S	*	*			cis	-157.2	132.8	44.5	168.7	0	0	0	0	110.5
729	S	39.2	Very low	37.7	Very low	92 Å²	92	135.2 Å²	135.2	64%	0.643	76%	0.757	S	S	*	*			trans	-23.9	159.7	155.3	47.3	0	0	0	0	119.3
730	L	36.5	Very low	37.8	Very low	165 Å²	165	132.8 Å²	132.8	86%	0.864	76%	0.757	S	S	*	*				-159.4	172.7	64.2	-81.2	167.2	0	0	0	114.4
731	P	41.2	Very low	37.7	Very low	109 Å²	109	134.8 Å²	134.8	71%	0.708	76%	0.759	S	S	*	*			trans	-132	172.3	-162.2	45.4	-31.3	0	0	0	118
732	R	35.4	Very low	37.9	Very low	240 Å²	240	137.8 Å²	137.8	91%	0.906	76%	0.764	S	S	*	*			trans	30.7	176.9	140.7	-99.7	-169.7	169.5	-176.9	-3.8	122.1
733	P	41.9	Very low	38	Very low	92 Å²	92	137.4 Å²	137.4	60%	0.597	76%	0.763	S	S	*	*			cis	-142.9	-176.3	13.3	43.5	-23.4	0	0	0	120
734	F	35.4	Very low	38.2	Very low	193 Å²	193	137.3 Å²	137.3	85%	0.846	76%	0.762	S	S	*	*			trans	68.9	168.6	154.2	-71	-50.9	0	0	0	119.4
735	I	37.9	Very low	38.1	Very low	159 Å²	159	134.2 Å²	134.2	82%	0.815	76%	0.759	S	S	*	*			cis	-148.1	165.7	6.3	-148.3	165.1	0	0	0	113.9
736	G	37.7	Very low	38.1	Very low	68 Å²	68	138.7 Å²	138.7	70%	0.701	76%	0.762	S	S	*	*			trans	88.2	168	155	0	0	0	0	0	118.9
737	V	38.7	Very low	38	Very low	144 Å²	144	133.4 Å²	133.4	87%	0.873	76%	0.758	S	S	*	*			cis	-160.8	-173.4	-23.7	92.9	0	0	0	0	111
738	E	39.5	Very low	37.9	Very low	156 Å²	156	135 Å²	135	73%	0.729	76%	0.76	S	S	*	*			trans	-142.3	164.1	-158.4	-74.2	-176.1	-93	0	0	112.1
739	N	38.3	Very low	37.8	Very low	142 Å²	142	136 Å²	136	76%	0.759	76%	0.76	S	S	*	*			cis	-164.6	175.7	-10.5	-88.5	-17.4	0	0	0	109.4
740	G	40.4	Very low	37.5	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	77%	0.768	S	S	*	*			trans	176.4	146.6	169.2	0	0	0	0	0	117.2
741	D	36.9	Very low	37.4	Very low	153 Å²	153	132.6 Å²	132.6	82%	0.818	76%	0.761	S	S	*	*			trans	-130.2	-179.5	-163.1	-82.4	-63.9	0	0	0	116.3
742	T	39.5	Very low	37.2	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	77%	0.771	S	S	*	*			trans	92.8	152.1	157.5	74.4	0	0	0	0	120.1
743	L	37.7	Very low	37.3	Very low	140 Å²	140	131.6 Å²	131.6	73%	0.733	77%	0.765	S	S	*	*			cis	-168	156.7	-24.3	-104.1	172.7	0	0	0	110.8
744	L	40	Very low	37.3	Very low	141 Å²	141	132.6 Å²	132.6	74%	0.738	77%	0.772	S	S	*	*			trans	64.4	157.3	152.8	-67	162.1	0	0	0	119.4
745	D	35.9	Very low	37.4	Very low	122 Å²	122	130 Å²	130	65%	0.652	77%	0.771	S	S	*	*			cis	-145	-166.3	-7	-144.8	-21.9	0	0	0	113.5
746	Q	37.9	Very low	37.3	Very low	160 Å²	160	126.6 Å²	126.6	75%	0.748	77%	0.767	S	S	*	*			trans	-115.5	164.6	-156.9	-57.8	153.9	81.9	0	0	117.7
747	S	34	Very low	37.4	Very low	110 Å²	110	128.6 Å²	128.6	77%	0.769	77%	0.77	S	S	*	*			trans	73.7	167.6	144.6	76.3	0	0	0	0	118.9
748	T	35.3	Very low	37.5	Very low	122 Å²	122	127.8 Å²	127.8	75%	0.748	77%	0.771	S	S	*	*			cis	-140	157.5	10	46.4	0	0	0	0	116
749	L	34.6	Very low	37.4	Very low	149 Å²	149	123.6 Å²	123.6	78%	0.78	77%	0.769	S	S	*	*			trans	-19.7	139.9	163.9	-72.6	77.2	0	0	0	124.6
750	S	33.2	Very low	37.6	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	78%	0.777	S	S	*	*				66.6	142.8	125	77	0	0	0	0	125
751	G	33.7	Very low	37.5	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	79%	0.786	S	S	*	*			trans	164.6	95.7	153.5	0	0	0	0	0	120.7
752	H	38.2	Very low	37.5	Very low	198 Å²	198	129.7 Å²	129.7	92%	0.917	78%	0.78	S	S	*	*			trans	64.2	168.5	148.6	-83	-92.1	0	0	0	124.3
753	V	36.8	Very low	37.5	Very low	129 Å²	129	129.2 Å²	129.2	78%	0.782	78%	0.783	S	S	*	*			trans	-152.1	135.5	-165.6	166.7	0	0	0	0	109.9
754	P	42.1	Very low	37.5	Very low	114 Å²	114	130.2 Å²	130.2	74%	0.74	79%	0.788	S	S	*	*				-152.7	138.3	123.1	37.8	-19.2	0	0	0	115.9
755	V	36.7	Very low	37.2	Very low	137 Å²	137	128.3 Å²	128.3	83%	0.83	79%	0.786	S	S	*	*				82.1	146.7	95.8	178.2	0	0	0	0	117
756	A	36.9	Very low	37.1	Very low	89 Å²	89	128.1 Å²	128.1	74%	0.736	79%	0.79	S	S	*	*			trans	75.8	149.4	169.3	0	0	0	0	0	117.5
757	S	38.9	Very low	37.1	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	79%	0.791	S	S	*	*			cis	-162.4	171.5	-9.2	-111.2	0	0	0	0	112.3
758	S	40.2	Very low	37.1	Very low	128 Å²	128	128.4 Å²	128.4	90%	0.895	79%	0.791	S	S	*	*			trans	70.7	146	167.4	-52.9	0	0	0	0	118
759	G	38.2	Very low	37.1	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	80%	0.797	S	S	*	*			cis	140.3	122	-15.7	0	0	0	0	0	115.1
760	I	41.9	Very low	37	Very low	181 Å²	181	131.5 Å²	131.5	93%	0.928	79%	0.791	S	S	*	*			trans	-178.8	156	142.8	-96.2	157.2	0	0	0	110.5
761	R	38.6	Very low	37.2	Very low	247 Å²	247	133.6 Å²	133.6	93%	0.932	79%	0.792	S	S	*	*			trans	-97.5	164.1	-174.6	-58.1	171	179.6	176	-1.5	111
762	G	37.3	Very low	37.4	Very low	68 Å²	68	135.3 Å²	135.3	70%	0.701	79%	0.79	S	S	*	*			cis	150.3	177.1	-2.7	0	0	0	0	0	112.1
763	S	39	Very low	37.1	Very low	117 Å²	117	130.8 Å²	130.8	82%	0.818	78%	0.781	S	S	*	*			trans	69.9	146.8	167.6	-60.9	0	0	0	0	118.6
764	L	37.6	Very low	36.9	Very low	161 Å²	161	136.5 Å²	136.5	84%	0.843	79%	0.789	S	S	*	*			cis	-153.7	161.9	-10.9	-116.8	171.6	0	0	0	111.8
765	S	35.3	Very low	36.5	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	79%	0.79	S	S	*	*			trans	-82.4	134.8	-179	-66.1	0	0	0	0	112.4
766	T	33.2	Very low	36.4	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	79%	0.791	S	S	*	*				84.4	154.2	89.6	-52.4	0	0	0	0	114.5
767	T	38.2	Very low	36.2	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	79%	0.792	S	S	*	*			trans	81.7	151.3	178.4	74.1	0	0	0	0	116.5
768	L	33.4	Very low	36.1	Very low	149 Å²	149	146.6 Å²	146.6	78%	0.78	80%	0.795	S	S	*	*			cis	-179.4	159	-46.1	-112.2	171.9	0	0	0	107.8
769	R	34.8	Very low	36	Very low	227 Å²	227	146.3 Å²	146.3	86%	0.857	79%	0.79	S	S	*	*			trans	75.2	155.9	170.2	-57.1	-178.5	-171.7	-150.3	0.5	117.4
770	T	34.1	Very low	35.7	Very low	109 Å²	109	147 Å²	147	67%	0.669	80%	0.797	S	S	*	*			cis	-168.8	133.2	-26.1	-90.7	0	0	0	0	110.5
771	I	35.9	Very low	35.4	Very low	161 Å²	161	141.4 Å²	141.4	83%	0.826	78%	0.784	S	S	*	*			trans	71.2	153	158.9	-79.5	166	0	0	0	119.1
772	P	37.9	Very low	35.4	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	78%	0.781	S	S	*	*			trans	-133.8	-166.6	-156.4	42.4	-22.8	0	0	0	115.9
773	S	31.6	Very low	35.2	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	78%	0.776	S	S	*	*			trans	105.8	117.5	155.4	-42.6	0	0	0	0	117.9
774	R	33.8	Very low	34.8	Very low	249 Å²	249	140.9 Å²	140.9	94%	0.94	78%	0.775	S	S	*	*				-177.2	166	108.7	-97.8	172.7	-176.9	-141.9	-1.2	112.8
775	H	33.4	Very low	34.8	Very low	168 Å²	168	142.8 Å²	142.8	78%	0.778	78%	0.779	S	S	*	*			trans	-63.3	154.6	178.1	-72.3	-111.4	0	0	0	113.9
776	S	34.7	Very low	34.7	Very low	121 Å²	121	144 Å²	144	85%	0.846	79%	0.787	S	S	*	*				-167.3	164.3	116.7	-80.7	0	0	0	0	112.4
777	Y	33.3	Very low	34.8	Very low	195 Å²	195	141.6 Å²	141.6	77%	0.765	79%	0.787	S	S	*	*			trans	-95	144.9	-177.7	-70.9	-119.6	0	0	0	111.6
778	H	36.8	Very low	34.7	Very low	177 Å²	177	144.9 Å²	144.9	82%	0.819	79%	0.793	S	S	*	*				174	161.9	104.6	-101	-83.9	0	0	0	112.5
779	P	38.4	Very low	34.7	Very low	121 Å²	121	142 Å²	142	79%	0.786	79%	0.791	S	S	*	*			trans	-115.6	170.1	-174.2	41.7	-31.9	0	0	0	114.8
780	G	31.3	Very low	35	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	78%	0.784	S	S	*	*			trans	160.3	141.8	158.7	0	0	0	0	0	116.4
781	G	34.7	Very low	35.2	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	79%	0.794	S	S	*	*			trans	90.9	138.9	166.2	0	0	0	0	0	116.8
782	H	38.5	Very low	35.3	Very low	187 Å²	187	136 Å²	136	87%	0.866	79%	0.789	S	S	*	*			cis	-148.4	159.8	-8	-96	-79.2	0	0	0	112.8
783	S	34	Very low	35.9	Very low	87 Å²	87	136.5 Å²	136.5	61%	0.608	79%	0.792	S	S	*	*			trans	-32.4	130.5	167.2	38.6	0	0	0	0	116.1
784	N	30.7	Very low	36.2	Very low	148 Å²	148	138.1 Å²	138.1	79%	0.791	79%	0.792	S	S	*	*				72.8	121.7	80.5	-62.1	-9.3	0	0	0	115.1
785	H	37.4	Very low	36.5	Very low	201 Å²	201	138.2 Å²	138.2	93%	0.931	79%	0.793	S	S	*	*			trans	-136.1	147.5	148.9	-89.7	-80.6	0	0	0	108.8
786	S	32.7	Very low	36.5	Very low	124 Å²	124	136.3 Å²	136.3	87%	0.867	79%	0.793	S	S	*	*			trans	-152.1	140.8	-170.9	54.5	0	0	0	0	111.5
787	G	36.3	Very low	36.7	Very low	70 Å²	70	136.3 Å²	136.3	72%	0.722	79%	0.788	S	S	*	*			trans	146.7	145.6	179.4	0	0	0	0	0	110.3
788	E	35.8	Very low	36.7	Very low	194 Å²	194	132.9 Å²	132.9	91%	0.907	79%	0.787	S	S	*	*			cis	-145.6	-177.2	-4	-95.7	173.4	106.1	0	0	109.8
789	A	33.4	Very low	36.7	Very low	89 Å²	89	130.6 Å²	130.6	74%	0.736	79%	0.786	S	S	*	*			trans	-75.8	-174.5	177.7	0	0	0	0	0	112.4
790	I	41.1	Very low	36.5	Very low	138 Å²	138	128.9 Å²	128.9	71%	0.708	78%	0.777	S	S	*	*				-177.2	132.9	80.4	-79.9	151.5	0	0	0	109.2
791	N	37.9	Very low	36.7	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	77%	0.773	S	S	*	*			trans	52.3	158.3	159.2	-55.3	-11.9	0	0	0	120
792	G	38.7	Very low	36.7	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	78%	0.776	S	S	*	*			cis	-165.4	-179.5	0.1	0	0	0	0	0	111.8
793	P	49.2	Very low	36.6	Very low	115 Å²	115	132 Å²	132	75%	0.747	77%	0.767	S	S	*	*			trans	-125.4	-169	-149.3	43.9	-32.4	0	0	0	118.4
794	D	37.6	Very low	36.4	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	76%	0.762	S	S	*	*			trans	84.7	119.9	155.6	-61.4	-24.9	0	0	0	122.8
795	R	40.2	Very low	36.5	Very low	250 Å²	250	130.6 Å²	130.6	94%	0.943	76%	0.757	S	S	*	*				-165.7	160.1	103.1	-99.6	172.7	-174.8	-152.1	-1.4	113.2
796	T	34	Very low	36.3	Very low	129 Å²	129	126.2 Å²	126.2	79%	0.791	74%	0.741	S	S	*	*			trans	-135.5	-154.7	-164	54.5	0	0	0	0	112.6
797	V	38	Very low	36.1	Very low	121 Å²	121	125.7 Å²	125.7	73%	0.733	72%	0.723	S	S	*	*			trans	88	100.9	-175.6	-176	0	0	0	0	112.4
798	T	33.2	Very low	35.9	Very low	123 Å²	123	127.5 Å²	127.5	76%	0.755	72%	0.715	S	S	*	*				66.5	143.2	68.1	70.1	0	0	0	0	113.3
799	V	36.8	Very low	35.6	Very low	129 Å²	129	126.3 Å²	126.3	78%	0.782	71%	0.709	S	S	*	*			cis	-146.1	-178.1	46.4	169.2	0	0	0	0	112
800	S	34.1	Very low	35.6	Very low	85 Å²	85	129.4 Å²	129.4	59%	0.594	71%	0.714	S	S	*	*			trans	-66.5	-175.3	177.5	48	0	0	0	0	114.8
801	E	36.8	Very low	35.1	Very low	163 Å²	163	130.8 Å²	130.8	76%	0.762	72%	0.717	S	S	*	*			cis	-160.2	135.9	25.7	-136.9	135	-101.6	0	0	113.3
802	S	34.9	Very low	35	Very low	104 Å²	104	128 Å²	128	73%	0.727	71%	0.711	S	S	*	*				50.2	142.8	122.1	-48.6	0	0	0	0	126.7
803	L	35.5	Very low	34.6	Very low	130 Å²	130	135.9 Å²	135.9	68%	0.681	72%	0.719	S	S	*	*			trans	90.3	108.9	154.8	-55.6	-176.3	0	0	0	122.4
804	N	31	Very low	33.7	Very low	94 Å²	94	136.4 Å²	136.4	50%	0.503	72%	0.722	S	S	.	*				28.7	137.1	128.4	-50.9	-11.4	0	0	0	120.8	Y213	Y213-N804 WeakPolarHBondContact CE1-ND2 3.35Å; Y213-N804 PolarHBondContact OH-ND2 2.6Å; Y213-N804 PolarHBondContact OH-OD1 3.16Å
805	T	32.3	Very low	33.4	Very low	112 Å²	112	137.9 Å²	137.9	69%	0.687	73%	0.728	S	S	*	*				-168.8	170.8	65.7	31	0	0	0	0	112.8
806	N	32.4	Very low	33	Very low	109 Å²	109	128.7 Å²	128.7	58%	0.583	71%	0.712	S	S	*	*			trans	-90.7	152.2	-179.3	-36.5	-76.7	0	0	0	113.2
807	F	29.5	Very low	32.7	Very low	112 Å²	112	131.7 Å²	131.7	49%	0.491	71%	0.714	S	S	.	*				167.7	154.5	97.6	-97.9	-48.5	0	0	0	117.4	N216 I218	N216-F807 HydrophobicContact CB-CD2 4.29Å; N216-F807 HydrophobicContact CB-CE2 3.75Å; I218-F807 HydrophobicContact CD1-CB 4.04Å; I218-F807 HydrophobicContact CD1-CD2 3.81Å; I218-F807 HydrophobicContact CD1-CG 4.16Å; I218-F807 HydrophobicContact CG1-CD2 3.64Å; I218-F807 HydrophobicContact CG1-CE2 3.94Å; I218-F807 HydrophobicContact CG1-CG 4.43Å
808	I	31.8	Very low	32.4	Very low	109 Å²	109	133.5 Å²	133.5	56%	0.559	71%	0.714	S	S	*	*			trans	61.6	109.3	142.2	-71.5	156.9	0	0	0	121.2	I218	I218-I808 HydrophobicContact CD1-CD1 3.78Å; I218-I808 HydrophobicContact CG1-CD1 4.4Å
809	E	28.6	Very low	32.4	Very low	168 Å²	168	133.8 Å²	133.8	79%	0.785	71%	0.711	S	S	*	*			trans	10.3	132.2	131.9	-55.4	167.7	147.7	0	0	120
810	N	33	Very low	32.2	Very low	154 Å²	154	131 Å²	131	82%	0.824	71%	0.708	S	S	*	*				-160.6	139.5	123.6	-107.2	-27.7	0	0	0	114.8
811	E	32	Very low	32.2	Very low	168 Å²	168	134.9 Å²	134.9	79%	0.785	72%	0.721	S	S	*	*			trans	21.6	128.4	156	-54.6	-159.9	140.7	0	0	124.5
812	S	35	Very low	31.9	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	72%	0.724	S	S	*	*				96.6	125.3	126.8	78.4	0	0	0	0	123.3
813	R	30.9	Very low	31.7	Very low	234 Å²	234	131 Å²	131	88%	0.883	73%	0.725	S	S	*	*			trans	68.8	128.8	147.1	-72	-178.4	170	-178.5	-2.6	121.6
814	P	30.8	Very low	31.5	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	73%	0.73	S	S	*	*			trans	-97.4	130.8	173.5	36.3	-31.6	0	0	0	114.1
815	I	31.4	Very low	31.6	Very low	171 Å²	171	133 Å²	133	88%	0.877	74%	0.739	S	S	*	*			trans	-152.4	143.8	167.7	-49	177.5	0	0	0	106.4
816	G	30.8	Very low	31.7	Very low	57 Å²	57	133.4 Å²	133.4	59%	0.588	74%	0.742	S	S	*	*			cis	156.7	117.6	-9	0	0	0	0	0	112.8
817	F	29	Very low	31.6	Very low	192 Å²	192	134.4 Å²	134.4	84%	0.842	76%	0.758	S	S	*	*			trans	58	138.7	159.4	-70.5	-94.3	0	0	0	123
818	H	31.3	Very low	31.9	Very low	158 Å²	158	132.8 Å²	132.8	73%	0.731	77%	0.773	S	S	*	*			trans	67.6	161.5	148.9	-84.3	-131.3	0	0	0	118.5
819	D	32.3	Very low	32	Very low	129 Å²	129	136.1 Å²	136.1	69%	0.69	79%	0.791	S	S	*	*			cis	-146.5	173.2	0.8	-142.2	-45.3	0	0	0	111.1
820	G	33.5	Very low	32.4	Very low	70 Å²	70	133.1 Å²	133.1	72%	0.722	79%	0.788	S	S	*	*			trans	-180	30.6	-177.7	0	0	0	0	0	123.1
821	L	33.5	Very low	32.8	Very low	167 Å²	167	133.3 Å²	133.3	87%	0.874	79%	0.786	S	S	*	*			trans	12.3	117.6	152.6	-56.9	170.1	0	0	0	119.4
822	G	30.8	Very low	33.1	Very low	79 Å²	79	131.1 Å²	131.1	81%	0.814	78%	0.78	S	S	*	*				116.5	167.6	93.4	0	0	0	0	0	111.5
823	S	29.9	Very low	33.2	Very low	107 Å²	107	129.5 Å²	129.5	75%	0.748	78%	0.78	S	S	*	*			cis	-165.4	172.5	-5.8	-173	0	0	0	0	109
824	L	31.2	Very low	33.5	Very low	153 Å²	153	126 Å²	126	80%	0.801	77%	0.771	S	S	*	*			trans	70.8	154.7	170.5	-45.4	-179.9	0	0	0	115.4
825	T	33.3	Very low	33.9	Very low	112 Å²	112	127.6 Å²	127.6	69%	0.687	77%	0.77	S	S	*	*			cis	-160.9	168.4	-4.8	4.4	0	0	0	0	112.5
826	T	34.9	Very low	34.2	Very low	121 Å²	121	122.9 Å²	122.9	74%	0.742	76%	0.756	S	S	*	*			trans	58.9	109	149.9	51.4	0	0	0	0	122.4
827	S	29.6	Very low	34.5	Very low	131 Å²	131	129.1 Å²	129.1	92%	0.916	77%	0.77	S	S	*	*			trans	7.4	137.8	130.1	-40.8	0	0	0	0	121.7
828	G	37.6	Very low	34.9	Very low	78 Å²	78	125.5 Å²	125.5	80%	0.804	77%	0.769	S	S	*	*			trans	-159.6	140.3	160.7	0	0	0	0	0	112
829	L	31.9	Very low	35.2	Very low	179 Å²	179	120.9 Å²	120.9	94%	0.937	76%	0.763	S	S	*	*			trans	-116.8	-175	-174.8	-69.2	170.1	0	0	0	112
830	S	38.1	Very low	35.5	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	77%	0.77	S	S	*	*			trans	104.9	106	170.7	-149.1	0	0	0	0	113.5
831	M	41	Very low	35.5	Very low	158 Å²	158	125.5 Å²	125.5	78%	0.778	77%	0.771	S	S	*	*				71.9	143.5	81.3	-70.5	179.8	125.9	0	0	114
832	D	39.1	Very low	35.6	Very low	122 Å²	122	123.6 Å²	123.6	65%	0.652	76%	0.761	S	S	*	*			cis	-156	169.9	2.6	-120.7	-12.2	0	0	0	111.7
833	G	37.3	Very low	35.4	Very low	71 Å²	71	125.7 Å²	125.7	73%	0.732	76%	0.758	S	S	*	*			trans	-167.9	8.2	-174.1	0	0	0	0	0	123.7
834	F	36.5	Very low	35.5	Very low	159 Å²	159	127.4 Å²	127.4	70%	0.697	76%	0.757	S	S	*	*			trans	40.7	115	157.9	-80.4	-106.8	0	0	0	123.6
835	M	38.1	Very low	35.5	Very low	161 Å²	161	126.4 Å²	126.4	79%	0.793	76%	0.758	S	S	*	*				73.8	147.4	127.2	-62.7	-51.8	164.2	0	0	122.3
836	A	38.6	Very low	35.3	Very low	72 Å²	72	126.7 Å²	126.7	60%	0.595	76%	0.764	S	S	*	*			cis	-158.7	160.1	-6.5	0	0	0	0	0	112.9
837	E	36.6	Very low	35.5	Very low	188 Å²	188	126.6 Å²	126.6	88%	0.879	77%	0.766	S	S	*	*			trans	49.3	143.3	146.4	-69.6	168.4	-167.2	0	0	121.5
838	S	38.5	Very low	35.6	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	77%	0.765	S	S	*	*			cis	-155	171.7	-1.5	44.6	0	0	0	0	110.7
839	G	37.5	Very low	35.5	Very low	60 Å²	60	132.4 Å²	132.4	62%	0.619	76%	0.761	S	S	*	*			trans	-88.8	-156.9	-172.2	0	0	0	0	0	116.2
840	D	37.2	Very low	35.5	Very low	156 Å²	156	126.9 Å²	126.9	83%	0.834	75%	0.748	S	S	*	*			cis	-155.3	177.1	3.5	-91.2	-50.7	0	0	0	111.5
841	D	35.3	Very low	35.2	Very low	140 Å²	140	130.3 Å²	130.3	75%	0.749	75%	0.746	S	S	*	*			trans	77.6	120.1	154.3	-81.5	-18.5	0	0	0	125.1
842	I	33.7	Very low	34.9	Very low	128 Å²	128	131.6 Å²	131.6	66%	0.656	75%	0.748	S	S	*	*				78.2	84	128.7	-58.8	167.4	0	0	0	121
843	T	27.8	Very low	34.5	Very low	123 Å²	123	133 Å²	133	76%	0.755	75%	0.754	S	S	*	*			trans	70	172.1	133.7	67.2	0	0	0	0	123
844	I	30.7	Very low	34.4	Very low	143 Å²	143	139.3 Å²	139.3	73%	0.733	76%	0.762	S	S	*	*			trans	91	92	163	-56.7	177.6	0	0	0	119.1
845	T	32.1	Very low	34.2	Very low	131 Å²	131	137.1 Å²	137.1	80%	0.804	77%	0.766	S	S	*	*			trans	55.1	154	141	64.9	0	0	0	0	123.6
846	S	29.6	Very low	34	Very low	119 Å²	119	141 Å²	141	83%	0.832	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.5	145.9	-177.5	-38.7	0	0	0	0	116.2
847	P	39	Very low	33.8	Very low	119 Å²	119	144 Å²	144	77%	0.773	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-102.7	135.4	154.9	34.5	-28	0	0	0	112.5
848	H	31	Very low	33.8	Very low	195 Å²	195	141.2 Å²	141.2	90%	0.903	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.6	151.3	154.4	-84.5	-94.3	0	0	0	109.5
849	N	36.1	Very low	33.8	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	78%	0.78	S	S	*	*			trans	-139.6	132	163.5	-133.2	-9.8	0	0	0	109.5	Y851	N849-Y851 WeakPolarHBondContact OD1-CE2 3.3Å; N849-Y851 PolarHBondContact OD1-OH 3.34Å; N849-Y851 VanDerWaalsContact OD1-OH 3.11Å
850	G	31.4	Very low	33.7	Very low	64 Å²	64	141.6 Å²	141.6	66%	0.66	79%	0.791	S	S	*	*			trans	-155.5	122.6	-170	0	0	0	0	0	113.4
851	Y	32.9	Very low	33.7	Very low	177 Å²	177	142 Å²	142	69%	0.694	79%	0.792	S	S	*	*			trans	-151.9	150	-174.4	-60.1	-65.5	0	0	0	108.6	N849	N849-Y851 WeakPolarHBondContact OD1-CE2 3.3Å; N849-Y851 PolarHBondContact OD1-OH 3.34Å; N849-Y851 VanDerWaalsContact OD1-OH 3.11Å
852	F	33.1	Very low	33.8	Very low	184 Å²	184	140.8 Å²	140.8	81%	0.807	79%	0.792	S	S	*	*			cis	-150.4	150	-6.6	-132.7	-64.7	0	0	0	108.4
853	L	30.9	Very low	34	Very low	152 Å²	152	140 Å²	140	80%	0.796	80%	0.798	S	S	*	*			trans	-85.7	144.9	174.3	-85.3	161.7	0	0	0	112.9
854	K	36	Very low	34.2	Very low	204 Å²	204	139.1 Å²	139.1	89%	0.887	80%	0.796	S	S	*	*			trans	-163.4	131.7	147.1	-111.2	149.6	-172.2	167.8	0	113.1
855	S	31.6	Very low	34.6	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	80%	0.803	S	S	*	*			trans	-115.6	149.1	173	-47.5	0	0	0	0	109.7
856	R	35.1	Very low	34.9	Very low	242 Å²	242	138.7 Å²	138.7	91%	0.913	80%	0.8	S	S	*	*			trans	-153.8	144.4	162.8	-139.6	174.6	-174.3	-172.5	0.7	111.9
857	T	33.5	Very low	35.2	Very low	137 Å²	137	136.1 Å²	136.1	84%	0.84	79%	0.792	S	S	*	*			trans	-133.1	135.6	-172.2	-45.7	0	0	0	0	109.1
858	V	38	Very low	35	Very low	128 Å²	128	138 Å²	138	78%	0.776	80%	0.795	S	S	*	*			trans	-147.8	122.7	173.8	-161	0	0	0	0	112.3
859	A	37.2	Very low	35.3	Very low	103 Å²	103	139.9 Å²	139.9	85%	0.851	79%	0.794	S	S	*	*			trans	40.3	141.5	153.3	0	0	0	0	0	123.8
860	G	35.9	Very low	35.4	Very low	81 Å²	81	139 Å²	139	84%	0.835	80%	0.796	S	S	*	*			trans	163.1	67	165.6	0	0	0	0	0	116.8
861	L	36.5	Very low	35.8	Very low	166 Å²	166	143.4 Å²	143.4	87%	0.869	81%	0.81	S	S	*	*			trans	-103.7	170	170	-88.1	172.1	0	0	0	110
862	P	37.5	Very low	35.9	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	81%	0.81	S	S	*	*			cis	-117.6	-149.3	25.2	23.5	3.6	0	0	0	112.2
863	S	37.6	Very low	36	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	81%	0.814	S	S	*	*			cis	-156.5	177.9	20.2	-59.1	0	0	0	0	112.7
864	S	33.6	Very low	36.3	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	81%	0.81	S	S	*	*			trans	-143.3	136.5	-173.3	59	0	0	0	0	115.7
865	V	38.1	Very low	36.5	Very low	143 Å²	143	130.7 Å²	130.7	87%	0.867	80%	0.799	S	S	*	*			trans	-149.3	118.3	154.7	-173.9	0	0	0	0	105.6
866	T	37.7	Very low	36.6	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	80%	0.801	S	S	*	*			cis	97	111.4	32.4	-53.2	0	0	0	0	113.1
867	G	35.9	Very low	36.4	Very low	64 Å²	64	130.5 Å²	130.5	66%	0.66	80%	0.796	S	S	*	*			trans	134.1	109.3	-177.8	0	0	0	0	0	110.5
868	L	36	Very low	36.6	Very low	159 Å²	159	128.4 Å²	128.4	83%	0.832	79%	0.785	S	S	*	*			cis	64.2	126.4	45	-49	177	0	0	0	111.7
869	R	36.2	Very low	36.3	Very low	234 Å²	234	132.3 Å²	132.3	88%	0.883	79%	0.787	S	S	*	*			cis	-154.7	165.5	10.8	-125.5	-179.1	-175.9	-179.9	1.9	111.1
870	P	39.3	Very low	36.1	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	78%	0.782	S	S	*	*			trans	-115	139.9	-176.7	38.2	-27.7	0	0	0	116.3
871	V	38.8	Very low	35.9	Very low	156 Å²	156	138.8 Å²	138.8	95%	0.945	78%	0.777	S	S	*	*			trans	-157.2	146.3	162	-172.7	0	0	0	0	106.5
872	G	35.5	Very low	35.7	Very low	68 Å²	68	137.7 Å²	137.7	70%	0.701	77%	0.767	S	S	*	*			cis	-177.1	176.2	-4.7	0	0	0	0	0	112.4
873	L	35.7	Very low	35.4	Very low	169 Å²	169	139.7 Å²	139.7	89%	0.885	77%	0.767	S	S	*	*			trans	-76.6	178.6	177.5	-119.4	71.4	0	0	0	112
874	P	36.8	Very low	35.1	Very low	111 Å²	111	143.9 Å²	143.9	72%	0.721	77%	0.766	S	S	*	*			cis	-137.9	-128.3	-3.8	38.8	-12.6	0	0	0	113.9
875	P	39.8	Very low	35.2	Very low	101 Å²	101	148.5 Å²	148.5	66%	0.656	77%	0.774	S	S	*	*			trans	-140.5	-155	-134.3	39.1	-10.7	0	0	0	117.2
876	H	35	Very low	35	Very low	179 Å²	179	146.6 Å²	146.6	83%	0.829	77%	0.766	S	S	*	*			trans	102.4	129.7	159.3	-69	-68.8	0	0	0	121.7
877	H	30.4	Very low	35	Very low	171 Å²	171	146.8 Å²	146.8	79%	0.792	77%	0.773	S	S	*	*			trans	-57.4	178.2	154.8	-117.1	-97.7	0	0	0	112.4
878	P	38.3	Very low	35.1	Very low	94 Å²	94	149.3 Å²	149.3	61%	0.61	78%	0.78	S	S	*	*			cis	-147.1	-178.2	3.6	42.9	-23.5	0	0	0	118.7
879	Y	30.2	Very low	35.2	Very low	209 Å²	209	147.4 Å²	147.4	82%	0.82	78%	0.78	S	S	*	*			trans	67.1	165.3	141.2	-83.2	-57.7	0	0	0	123.5
880	H	33.9	Very low	35.2	Very low	164 Å²	164	140.8 Å²	140.8	76%	0.759	78%	0.775	S	S	*	*			trans	66.3	136	-179.5	-69.7	-87.9	0	0	0	117.1
881	H	30.4	Very low	35.2	Very low	156 Å²	156	142.4 Å²	142.4	72%	0.722	78%	0.775	S	S	*	*			cis	89.5	137.4	27.3	-144.6	-88.1	0	0	0	114.3
882	H	33.5	Very low	35.2	Very low	143 Å²	143	145.9 Å²	145.9	66%	0.662	77%	0.771	S	S	*	*			trans	83.1	107.9	-178.3	-66	-81.4	0	0	0	120.9
883	H	31.1	Very low	35.1	Very low	156 Å²	156	154.7 Å²	154.7	72%	0.722	78%	0.783	S	S	*	*				41	133.8	114.3	-83.1	-77.2	0	0	0	123.1
884	Y	30.2	Very low	35.2	Very low	201 Å²	201	150.1 Å²	150.1	79%	0.788	78%	0.776	S	S	*	*			trans	61.9	114.2	144.5	-80	-65.8	0	0	0	121
885	K	35.8	Very low	35	Very low	200 Å²	200	156.2 Å²	156.2	87%	0.87	79%	0.785	S	S	*	*				-166.6	154.3	122.4	-95.6	143.5	-175.6	176.4	0	107.2
886	S	33.9	Very low	34.9	Very low	102 Å²	102	157.8 Å²	157.8	71%	0.713	79%	0.793	S	S	*	*			cis	164.6	111.9	-18.9	-92.2	0	0	0	0	103.8
887	S	38.5	Very low	35.2	Very low	127 Å²	127	154.5 Å²	154.5	89%	0.888	79%	0.79	S	S	*	*			trans	-149.8	97.6	166.2	-88.8	0	0	0	0	111
888	S	37.3	Very low	35.4	Very low	117 Å²	117	152.9 Å²	152.9	82%	0.818	79%	0.792	S	S	*	*			trans	-7.1	126.5	163.8	-49.2	0	0	0	0	120
889	S	38.3	Very low	35.6	Very low	120 Å²	120	154.3 Å²	154.3	84%	0.839	80%	0.801	S	S	*	*				-169.6	111.5	123.9	-83.3	0	0	0	0	114.5
890	A	36.8	Very low	35.9	Very low	94 Å²	94	148.9 Å²	148.9	78%	0.777	80%	0.8	S	S	*	*			trans	52.5	130.9	137.6	0	0	0	0	0	124.3
891	M	38.5	Very low	36.1	Very low	153 Å²	153	147.4 Å²	147.4	75%	0.754	81%	0.805	S	S	*	*			trans	87.6	95.1	147.5	-63.5	-61.1	172.7	0	0	123.8
892	R	39.3	Very low	36.4	Very low	228 Å²	228	144 Å²	144	86%	0.86	80%	0.804	S	S	*	*			trans	81.4	169.9	131.9	-65.3	179.6	-174	-103.3	-2.2	120
893	R	32.6	Very low	36.6	Very low	254 Å²	254	144.1 Å²	144.1	96%	0.958	82%	0.815	S	S	*	*			trans	-146.3	155.6	-149.7	-64	176.9	173.8	175.8	-2.6	113.9
894	G	37.8	Very low	36.8	Very low	72 Å²	72	140.9 Å²	140.9	74%	0.742	82%	0.824	S	S	*	*			trans	141.6	115.3	165.8	0	0	0	0	0	110
895	R	33.3	Very low	37	Very low	240 Å²	240	135.1 Å²	135.1	91%	0.906	83%	0.826	S	S	*	*			cis	96.2	139	22.5	-154	-177.5	-147.5	-140.1	6	113.2
896	T	38.7	Very low	37	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	83%	0.83	S	S	*	*			trans	78.6	145.8	-170.4	72.8	0	0	0	0	114.4
897	S	40.4	Very low	37	Very low	111 Å²	111	131 Å²	131	78%	0.776	83%	0.834	S	S	*	*			cis	-165	152.5	-20.3	42.2	0	0	0	0	111.5
898	T	35.3	Very low	37	Very low	136 Å²	136	133.2 Å²	133.2	83%	0.834	83%	0.832	S	S	*	*			trans	-90.4	157.8	178.1	-25.2	0	0	0	0	112.9
899	P	40.7	Very low	36.8	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	83%	0.83	S	S	*	*			trans	-136.1	175.7	134.6	37.3	-24.8	0	0	0	114.3
900	A	37	Very low	36.5	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	83%	0.828	S	S	*	*			trans	-128	171.3	-172.6	0	0	0	0	0	112
901	P	38	Very low	36.6	Very low	133 Å²	133	138.3 Å²	138.3	86%	0.864	83%	0.831	S	S	*	*			trans	-98.6	173	-161.3	38.7	-36.8	0	0	0	116.7
902	A	38.1	Very low	36.5	Very low	85 Å²	85	137.2 Å²	137.2	70%	0.702	83%	0.833	S	S	*	*			trans	-139.9	116.4	177.1	0	0	0	0	0	108.6
903	T	36.1	Very low	36.4	Very low	146 Å²	146	134.1 Å²	134.1	90%	0.896	83%	0.834	S	S	*	*				78.3	122.2	78.2	59.3	0	0	0	0	116.7
904	G	35.7	Very low	36.5	Very low	88 Å²	88	127 Å²	127	91%	0.907	82%	0.82	S	S	*	*			trans	107.3	137	173.8	0	0	0	0	0	113.4
905	G	34.9	Very low	36.4	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	83%	0.829	S	S	*	*			cis	-159.1	175.3	-1.8	0	0	0	0	0	111.9
906	S	34.9	Very low	36.8	Very low	139 Å²	139	127.1 Å²	127.1	97%	0.972	82%	0.821	S	S	*	*			trans	-89.5	154	-162.5	-49.9	0	0	0	0	116.6
907	G	35.4	Very low	36.7	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	82%	0.822	S	S	*	*			trans	-158.1	148.7	167.1	0	0	0	0	0	111.2
908	M	37.2	Very low	36.5	Very low	172 Å²	172	129.6 Å²	129.6	85%	0.847	82%	0.82	S	S	*	*			trans	-92.7	148	-169.5	-60.8	179.1	74.3	0	0	113.9
909	G	33.9	Very low	36.7	Very low	75 Å²	75	129.2 Å²	129.2	77%	0.773	81%	0.812	S	S	*	*			trans	-178.7	119.3	167.6	0	0	0	0	0	112
910	Y	31.7	Very low	36.5	Very low	202 Å²	202	131.5 Å²	131.5	79%	0.792	82%	0.817	S	S	*	*			trans	-82.1	130.8	-175.4	-50	-94.5	0	0	0	112.1
911	L	38.9	Very low	36.9	Very low	161 Å²	161	130.7 Å²	130.7	84%	0.843	81%	0.811	S	S	*	*			trans	-176.5	146.4	146	-103.2	155.4	0	0	0	112.5
912	T	35.9	Very low	36.9	Very low	131 Å²	131	135.1 Å²	135.1	80%	0.804	81%	0.812	S	S	*	*			trans	54.8	105	164.8	51	0	0	0	0	119.6
913	D	37.1	Very low	37.2	Very low	162 Å²	162	136.4 Å²	136.4	87%	0.866	81%	0.813	S	S	*	*			trans	-74.1	172.4	159.6	-102	-45.6	0	0	0	112.2
914	P	36.1	Very low	37.8	Very low	104 Å²	104	132.6 Å²	132.6	68%	0.675	79%	0.792	S	S	*	*			trans	-101.2	144.8	-141.7	36.7	-38.1	0	0	0	117.5
915	D	35.5	Very low	38.5	Very low	172 Å²	172	134.9 Å²	134.9	92%	0.92	79%	0.788	S	S	*	*			trans	-79.1	113.7	153.7	-88.6	-43	0	0	0	110
916	L	40.6	Very low	39.2	Very low	143 Å²	143	137.5 Å²	137.5	75%	0.749	78%	0.779	S	S	*	*			trans	-136.7	119.5	174.3	-165.8	92.4	0	0	0	110.4
917	L	37.7	Very low	39.9	Very low	160 Å²	160	134.1 Å²	134.1	84%	0.838	76%	0.755	S	S	*	*	S	Bend	trans	81.3	143.3	173.7	-46.2	-177.6	0	0	0	118.8
918	D	35.2	Very low	40.6	Very low	137 Å²	137	140 Å²	140	73%	0.733	75%	0.754	S	S	*	*			trans	79.1	167.2	153.1	-136	-20	0	0	0	119.6
919	I	39.6	Very low	41.4	Very low	128 Å²	128	137.2 Å²	137.2	66%	0.656	74%	0.741	S	S	*	*			trans	76.2	72.5	-172.3	-43.6	176.2	0	0	0	114.5
920	D	37.5	Very low	42.2	Very low	171 Å²	171	143 Å²	143	91%	0.914	74%	0.74	S	S	*	*			trans	-138.7	21.9	158.3	-138.1	-4.1	0	0	0	112.4
921	A	44.3	Very low	42.7	Very low	79 Å²	79	138.9 Å²	138.9	65%	0.653	74%	0.738	S	S	*	*			trans	-132.3	34	-160.1	0	0	0	0	0	116.3
922	Y	39.2	Very low	43.2	Very low	226 Å²	226	137.5 Å²	137.5	89%	0.886	73%	0.73	S	S	*	*			trans	-156.2	120.4	157.6	-112.1	-73.6	0	0	0	112.7
923	P	44.6	Very low	43.6	Very low	111 Å²	111	135.6 Å²	135.6	72%	0.721	73%	0.727	S	S	*	*			trans	-79	124.4	176.2	30.6	-33	0	0	0	111.2
924	S	48.4	Very low	43.7	Very low	67 Å²	67	132.7 Å²	132.7	47%	0.469	72%	0.72	S	S	.	*			trans	-75.8	161.2	173.1	76.1	0	0	0	0	112.2	Q926 S927	S924-Q926 PolarHBondContact O-N 3.1Å; S924-S927 PolarHBondContact O-N 3.36Å; S924-S927 VanDerWaalsContact O-N 3.16Å; S924-S927 PolarHBondContact O-OG 2.81Å
925	V	50.2	Low	43.9	Very low	136 Å²	136	132.8 Å²	132.8	82%	0.824	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-4.7	-170.2	-169.8	0	0	0	0	113.5	W928	V925-W928 PolarHBondContact O-NE1 3.33Å; V925-W928 VanDerWaalsContact O-NE1 3.11Å
926	Q	50	Low	43.9	Very low	135 Å²	135	129.1 Å²	129.1	63%	0.631	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	12.3	-178.5	-67.7	149.2	-35.5	0	0	113.4	S924 W928 L929	S924-Q926 PolarHBondContact O-N 3.1Å; Q926-W928 PolarHBondContact O-N 3.22Å; Q926-L929 HydrophobicContact CB-CD1 4.05Å; Q926-L929 HydrophobicContact CG-CD1 4.4Å; Q926-L929 PolarHBondContact O-N 2.81Å
927	S	48.5	Very low	43.9	Very low	68 Å²	68	130.2 Å²	130.2	48%	0.476	71%	0.71	S	S	.	*	G	3₁₀ helix	trans	-52.6	-29.8	-178.8	45.7	0	0	0	0	114.7	S924 L929 R930	S924-S927 PolarHBondContact O-N 3.36Å; S924-S927 VanDerWaalsContact O-N 3.16Å; S924-S927 PolarHBondContact O-OG 2.81Å; S927-L929 VanDerWaalsContact C-N 3.26Å; S927-L929 PolarHBondContact O-N 2.73Å; S927-R930 PolarHBondContact O-N 2.88Å
928	W	51.1	Low	44	Very low	201 Å²	201	133.6 Å²	133.6	76%	0.761	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-71.4	-8.7	177.9	56.3	-84.3	0	0	0	115.2	V925 Q926	V925-W928 PolarHBondContact O-NE1 3.33Å; V925-W928 VanDerWaalsContact O-NE1 3.11Å; Q926-W928 PolarHBondContact O-N 3.22Å
929	L	53.3	Low	44.2	Very low	112 Å²	112	136.7 Å²	136.7	59%	0.586	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-94.1	-8.6	173.1	-69.7	109.1	0	0	0	113.9	Q926 S927	Q926-L929 HydrophobicContact CB-CD1 4.05Å; Q926-L929 HydrophobicContact CG-CD1 4.4Å; Q926-L929 PolarHBondContact O-N 2.81Å; S927-L929 VanDerWaalsContact C-N 3.26Å; S927-L929 PolarHBondContact O-N 2.73Å
930	R	50.1	Low	44.9	Very low	196 Å²	196	136.6 Å²	136.6	74%	0.74	72%	0.718	S	S	*	*	S	Bend	trans	-83.9	132	177.3	-67.1	-168.1	179.8	-151.6	-0.9	110.1	S927 I932	S927-R930 PolarHBondContact O-N 2.88Å; R930-I932 PolarHBondContact O-N 3.31Å
931	P	43.5	Very low	46.1	Very low	116 Å²	116	134.1 Å²	134.1	75%	0.753	71%	0.714	S	S	*	*			trans	-55	131.7	163	-22	33.2	0	0	0	109.2	A933	P931-A933 PolarHBondContact O-N 3.45Å
932	I	49.7	Very low	47.2	Very low	133 Å²	133	133.6 Å²	133.6	68%	0.682	70%	0.697	S	S	*	*			trans	-69	99	170.6	-59.9	173.6	0	0	0	106.4	R930 S934	R930-I932 PolarHBondContact O-N 3.31Å; I932-S934 PolarHBondContact O-N 2.89Å
933	A	43.8	Very low	49.1	Very low	90 Å²	90	129.8 Å²	129.8	74%	0.744	69%	0.685	S	S	*	*			trans	-54.8	132.6	166.1	0	0	0	0	0	107.9	P931 S935	P931-A933 PolarHBondContact O-N 3.45Å; A933-S935 PolarHBondContact O-N 3.31Å; A933-S935 VanDerWaalsContact O-N 3.11Å
934	S	39.3	Very low	50.9	Low	101 Å²	101	130.1 Å²	130.1	71%	0.706	68%	0.68	S	S	*	*			trans	-57	118.3	-163.3	43.5	0	0	0	0	112.1	I932 S936	I932-S934 PolarHBondContact O-N 2.89Å; S934-S936 PolarHBondContact O-N 3.31Å; S934-S936 PolarHBondContact O-OG 3.42Å; S934-S936 VanDerWaalsContact O-OG 3.12Å
935	S	40.2	Very low	52.5	Low	106 Å²	106	129.8 Å²	129.8	74%	0.741	67%	0.669	S	S	*	*			trans	-69.8	73.7	175.6	178	0	0	0	0	110	A933 K937	A933-S935 PolarHBondContact O-N 3.31Å; A933-S935 VanDerWaalsContact O-N 3.11Å; S935-K937 PolarHBondContact O-N 3.47Å
936	S	35.9	Very low	54	Low	95 Å²	95	126.5 Å²	126.5	66%	0.664	65%	0.65	S	S	*	*			trans	-77.2	55	-173.2	40.5	0	0	0	0	112.4	S934	S934-S936 PolarHBondContact O-N 3.31Å; S934-S936 PolarHBondContact O-OG 3.42Å; S934-S936 VanDerWaalsContact O-OG 3.12Å
937	K	40.2	Very low	55.4	Low	166 Å²	166	121.9 Å²	121.9	72%	0.722	63%	0.627	S	S	*	*	S	Bend	trans	-149.4	133.6	161.8	-84.3	106.2	-170.9	178.1	0	108.7	S935	S935-K937 PolarHBondContact O-N 3.47Å
938	Y	39.8	Very low	56.9	Low	231 Å²	231	124 Å²	124	91%	0.906	63%	0.629	S	S	*	*			trans	70.7	71.1	-178	-54	-75.4	0	0	0	116.8	K940	Y938-K940 PolarHBondContact O-N 2.89Å
939	E	39.8	Very low	58.4	Low	202 Å²	202	115.9 Å²	115.9	94%	0.944	60%	0.602	S	S	*	*			trans	-64.9	97.5	150.2	-70.6	-173.5	127.1	0	0	109.5	S941	E939-S941 PolarHBondContact O-N 2.97Å
940	K	54.3	Low	59.6	Low	126 Å²	126	111 Å²	111	55%	0.548	58%	0.577	S	S	.	*			trans	-85.5	103.4	169.2	-173.3	-175.4	176.4	-164.8	0	107.3	Y938 F942 D962	Y938-K940 PolarHBondContact O-N 2.89Å; K940-F942 HydrophobicContact CD-CZ 4.35Å; K940-F942 WeakPolarHBondContact O-CD2 3.13Å; K940-F942 WeakPolarHBondContact O-CE2 3.4Å; K940-F942 PolarHBondContact O-N 3.01Å; K940-D962 IonicContact NZ-OD2 3.37Å; K940-D962 PolarHBondContact NZ-OD2 3.2Å
941	S	61.2	Low	61	Low	119 Å²	119	103.9 Å²	103.9	83%	0.832	55%	0.551	S	S	*	*			trans	-65.9	103.7	179.6	45.5	0	0	0	0	111.3	E939	E939-S941 PolarHBondContact O-N 2.97Å
942	F	68.1	Low	62.2	Low	68 Å²	68	102 Å²	102	30%	0.298	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-72.5	147.8	174.4	-67.2	-87	0	0	0	110.6	K940 C968 Y969	K940-F942 HydrophobicContact CD-CZ 4.35Å; K940-F942 WeakPolarHBondContact O-CD2 3.13Å; K940-F942 WeakPolarHBondContact O-CE2 3.4Å; K940-F942 PolarHBondContact O-N 3.01Å; F942-C968 WeakPolarHBondContact CB-O 3.47Å; F942-C968 HydrophobicContact CD1-CB 3.83Å; F942-C968 HydrophobicContact CD2-CB 3.81Å; F942-C968 HydrophobicContact CE1-CB 3.79Å; F942-C968 HydrophobicContact CE2-CB 3.77Å; F942-C968 HydrophobicContact CG-CB 3.84Å; F942-C968 WeakPolarHBondContact CG-O 3.32Å; F942-C968 HydrophobicContact CZ-CB 3.76Å; F942-Y969 HydrophobicContact CD1-CD1 4.33Å; F942-Y969 HydrophobicContact CD1-CD2 4.12Å; F942-Y969 AromaticContact CD1-CE1 3.91Å; F942-Y969 HydrophobicContact CD1-CE1 3.91Å; F942-Y969 AromaticContact CD1-CE2 3.67Å; F942-Y969 HydrophobicContact CD1-CE2 3.67Å; F942-Y969 HydrophobicContact CD1-CG 4.44Å; F942-Y969 AromaticContact CD1-CZ 3.57Å; F942-Y969 AromaticContact CE1-CE2 3.88Å; F942-Y969 HydrophobicContact CE1-CE2 3.88Å; F942-Y969 AromaticContact CE1-CZ 3.96Å
943	K	79	Confident	63	Low	146 Å²	146	99.6 Å²	99.6	64%	0.635	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-85.2	126.4	172.4	-70.1	-176.1	178.7	-177.4	0	108.8	Y945 Y969	K943-Y945 HydrophobicContact CB-CD2 4.33Å; K943-Y945 HydrophobicContact CB-CE2 3.71Å; K943-Y945 VanDerWaalsContact O-CD2 3.25Å; K943-Y945 WeakPolarHBondContact O-CD2 3.44Å; K943-Y969 WeakPolarHBondContact O-CD1 3.21Å
944	I	83	Confident	64	Low	119 Å²	119	96.9 Å²	96.9	61%	0.61	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-72.7	130.4	175.4	-63.7	173.2	0	0	0	109.2	Y969	I944-Y969 CarbonylContact C-O 3.48Å; I944-Y969 WeakPolarHBondContact CA-O 3.43Å
945	Y	80.8	Confident	65	Low	60 Å²	60	100 Å²	100	24%	0.235	52%	0.52	C	S	.	.			trans	-129.9	140.6	173.3	-69.8	-83.2	0	0	0	108.9	K943 L950 L958 V961 Y969	K943-Y945 HydrophobicContact CB-CD2 4.33Å; K943-Y945 HydrophobicContact CB-CE2 3.71Å; K943-Y945 VanDerWaalsContact O-CD2 3.25Å; K943-Y945 WeakPolarHBondContact O-CD2 3.44Å; Y945-L950 WeakPolarHBondContact O-CD1 3.24Å; Y945-L958 HydrophobicContact CD1-CD1 3.81Å; Y945-L958 HydrophobicContact CD1-CD2 4.21Å; Y945-L958 HydrophobicContact CD2-CD1 4.05Å; Y945-L958 HydrophobicContact CE1-CD1 3.97Å; Y945-L958 HydrophobicContact CE1-CD2 3.79Å; Y945-L958 HydrophobicContact CE2-CD1 4.19Å; Y945-L958 HydrophobicContact CG-CD1 3.87Å; Y945-V961 HydrophobicContact CD2-CG2 4.4Å; Y945-V961 HydrophobicContact CE2-CG2 3.88Å; Y945-Y969 HydrophobicContact CD2-CD1 4.08Å; Y945-Y969 HydrophobicContact CE2-CD1 4.19Å; Y945-Y969 PolarHBondContact N-O 3.45Å
946	P	81.8	Confident	66.1	Low	66 Å²	66	100.8 Å²	100.8	43%	0.429	51%	0.512	S	S	.	.			trans	-68.4	150.5	178	28.8	-34.4	0	0	0	111.6	E948 V949 E974	P946-E948 PolarHBondContact O-N 3.39Å; P946-E948 VanDerWaalsContact O-N 3.09Å; P946-V949 HydrophobicContact CG-CG2 4.04Å; P946-V949 PolarHBondContact O-N 3.34Å; P946-E974 VanDerWaalsContact CA-OE1 3.25Å; P946-E974 WeakPolarHBondContact CA-OE1 3.31Å
947	Y	80.9	Confident	67.2	Low	38 Å²	38	103.1 Å²	103.1	15%	0.149	52%	0.516	C	S	.	.	H	α-helix	trans	-47.2	-41.9	-176.1	176.8	-142.2	0	0	0	114.3	V949 L950 K951 E974 L978 L1001 L1003	Y947-V949 PolarHBondContact O-N 3.1Å; Y947-V949 VanDerWaalsContact O-N 3.15Å; Y947-L950 PolarHBondContact O-N 2.94Å; Y947-L950 VanDerWaalsContact O-N 3.1Å; Y947-K951 HydrophobicContact CD2-CG 4.14Å; Y947-K951 HydrophobicContact CE2-CD 4.34Å; Y947-K951 VanDerWaalsContact CE2-CE 3.46Å; Y947-K951 HydrophobicContact CE2-CG 3.85Å; Y947-K951 PolarHBondContact O-N 2.93Å; Y947-E974 PolarHBondContact N-OE1 3.01Å; Y947-L978 HydrophobicContact CD1-CD1 3.91Å; Y947-L978 HydrophobicContact CD1-CD2 3.65Å; Y947-L978 HydrophobicContact CD1-CG 4.42Å; Y947-L978 HydrophobicContact CD2-CD1 3.58Å; Y947-L978 HydrophobicContact CE1-CD1 4.23Å; Y947-L978 HydrophobicContact CE1-CD2 3.42Å; Y947-L978 VanDerWaalsContact CE1-CD2 3.42Å; Y947-L978 HydrophobicContact CE1-CG 4.49Å; Y947-L978 HydrophobicContact CE2-CD1 3.95Å; Y947-L978 HydrophobicContact CE2-CD2 4.37Å; Y947-L978 HydrophobicContact CG-CD1 3.56Å; Y947-L978 HydrophobicContact CG-CD2 4.2Å; Y947-L1001 HydrophobicContact CE2-CB 4.16Å; Y947-L1001 WeakPolarHBondContact CE2-O 3.42Å; Y947-L1001 WeakPolarHBondContact OH-CA 3.4Å; Y947-L1001 PolarHBondContact OH-O 2.85Å; Y947-L1001 VanDerWaalsContact OH-O 3.14Å; Y947-L1003 HydrophobicContact CD2-CD2 4.34Å; Y947-L1003 HydrophobicContact CE2-CD1 4.47Å; Y947-L1003 HydrophobicContact CE2-CD2 4.3Å; Y947-L1003 HydrophobicContact CE2-CG 4.31Å
948	E	79.3	Confident	68.3	Low	112 Å²	112	97.2 Å²	97.2	52%	0.523	49%	0.492	S	S	.	.	H	α-helix	trans	-56.6	-31.7	-177.9	-76.7	51	-112.6	0	0	113.5	P946 K951	P946-E948 PolarHBondContact O-N 3.39Å; P946-E948 VanDerWaalsContact O-N 3.09Å; E948-K951 IonicContact OE1-NZ 2.75Å; E948-K951 PolarHBondContact OE1-NZ 3.43Å
949	V	81.8	Confident	69.4	Low	32 Å²	32	96 Å²	96	19%	0.194	49%	0.492	C	S	.	.	H	α-helix	trans	-88.5	-25	-177.3	-172.8	0	0	0	0	111.5	P946 Y947 S954 Q956 L958	P946-V949 HydrophobicContact CG-CG2 4.04Å; P946-V949 PolarHBondContact O-N 3.34Å; Y947-V949 PolarHBondContact O-N 3.1Å; Y947-V949 VanDerWaalsContact O-N 3.15Å; V949-S954 WeakPolarHBondContact O-CB 3.47Å; V949-S954 PolarHBondContact O-OG 3.27Å; V949-Q956 HydrophobicContact CG1-CB 4.3Å; V949-Q956 VanDerWaalsContact CG1-OE1 3.3Å; V949-L958 HydrophobicContact CG1-CD1 3.94Å; V949-L958 HydrophobicContact CG1-CD2 3.98Å; V949-L958 HydrophobicContact CG1-CG 4.13Å
950	L	78.5	Confident	70.8	Confident	10 Å²	10	89.9 Å²	89.9	5%	0.052	48%	0.482	C	S	.	.	H	α-helix	trans	-85.5	-18.7	-177.6	-67.1	172.7	0	0	0	114.1	Y945 Y947 L958 V961 L966 L970 L1003	Y945-L950 WeakPolarHBondContact O-CD1 3.24Å; Y947-L950 PolarHBondContact O-N 2.94Å; Y947-L950 VanDerWaalsContact O-N 3.1Å; L950-L958 HydrophobicContact CD2-CD1 3.98Å; L950-V961 HydrophobicContact CD2-CG1 4.33Å; L950-L966 HydrophobicContact CD2-CD2 4.34Å; L950-L966 WeakPolarHBondContact O-CD1 3.33Å; L950-L970 HydrophobicContact CD1-CD2 4.06Å; L950-L970 HydrophobicContact CD1-CG 3.8Å; L950-L1003 HydrophobicContact CB-CD2 3.9Å
951	K	80.1	Confident	71.6	Confident	45 Å²	45	85 Å²	85	20%	0.196	46%	0.463	C	S	.	.	S	Bend	trans	-55.3	144.2	175.5	-72.3	160.4	-176.7	163.8	0	112.1	Y947 E948 S953 S954 D1002	Y947-K951 HydrophobicContact CD2-CG 4.14Å; Y947-K951 HydrophobicContact CE2-CD 4.34Å; Y947-K951 VanDerWaalsContact CE2-CE 3.46Å; Y947-K951 HydrophobicContact CE2-CG 3.85Å; Y947-K951 PolarHBondContact O-N 2.93Å; E948-K951 IonicContact OE1-NZ 2.75Å; E948-K951 PolarHBondContact OE1-NZ 3.43Å; K951-S953 PolarHBondContact O-N 2.97Å; K951-S954 WeakPolarHBondContact O-CB 3.41Å; K951-S954 PolarHBondContact O-N 2.91Å; K951-D1002 CarbonylContact C-O 3.45Å; K951-D1002 WeakPolarHBondContact CA-O 3.14Å
952	S	68.9	Low	72.1	Confident	77 Å²	77	82.5 Å²	82.5	54%	0.538	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.4	176.8	59.5	0	0	0	0	113.3	S954 D1002 L1004	S952-S954 VanDerWaalsContact C-N 3.35Å; S952-D1002 WeakPolarHBondContact CB-O 3.49Å; S952-D1002 PolarHBondContact N-O 3.33Å; S952-D1002 PolarHBondContact OG-O 3.35Å; S952-L1004 WeakPolarHBondContact CB-OXT 3.47Å; S952-L1004 PolarHBondContact OG-OXT 3.34Å; S952-L1004 VanDerWaalsContact OG-OXT 3.05Å
953	S	66.3	Low	72.3	Confident	83 Å²	83	88.5 Å²	88.5	58%	0.58	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.8	169	52	0	0	0	0	114.8	K951	K951-S953 PolarHBondContact O-N 2.97Å
954	S	65.4	Low	71.9	Confident	33 Å²	33	86.5 Å²	86.5	23%	0.231	46%	0.461	C	S	.	.			trans	-73.7	122.2	172.3	170.6	0	0	0	0	111.1	V949 K951 S952 Q956	V949-S954 WeakPolarHBondContact O-CB 3.47Å; V949-S954 PolarHBondContact O-OG 3.27Å; K951-S954 WeakPolarHBondContact O-CB 3.41Å; K951-S954 PolarHBondContact O-N 2.91Å; S952-S954 VanDerWaalsContact C-N 3.35Å; S954-Q956 PolarHBondContact O-N 2.92Å; S954-Q956 PolarHBondContact OG-N 3.3Å
955	N	60.1	Low	71.6	Confident	165 Å²	165	84.9 Å²	84.9	88%	0.882	45%	0.451	S	S	*	.			trans	-76.4	4.7	173.8	-71.3	-56	0	0	0	113.3	L957	N955-L957 PolarHBondContact O-N 2.94Å
956	Q	63.3	Low	71.6	Confident	123 Å²	123	82.8 Å²	82.8	58%	0.575	44%	0.443	S	S	*	.			trans	-93.5	102.5	-171.9	-159.7	165.2	39	0	0	111.7	V949 S954 L958	V949-Q956 HydrophobicContact CG1-CB 4.3Å; V949-Q956 VanDerWaalsContact CG1-OE1 3.3Å; S954-Q956 PolarHBondContact O-N 2.92Å; S954-Q956 PolarHBondContact OG-N 3.3Å; Q956-L958 PolarHBondContact O-N 3.18Å
957	L	57.9	Low	71.5	Confident	144 Å²	144	80.7 Å²	80.7	75%	0.754	43%	0.428	S	S	*	.			trans	-70.1	84.5	-177.9	-66.4	175.2	0	0	0	112.8	N955 K959	N955-L957 PolarHBondContact O-N 2.94Å; L957-K959 PolarHBondContact O-N 3.17Å
958	L	64.3	Low	71.6	Confident	43 Å²	43	80.8 Å²	80.8	23%	0.225	43%	0.434	C	S	.	.			trans	-66.1	101.1	173.5	-61.2	-174	0	0	0	111.5	Y945 V949 L950 Q956 G960 V961	Y945-L958 HydrophobicContact CD1-CD1 3.81Å; Y945-L958 HydrophobicContact CD1-CD2 4.21Å; Y945-L958 HydrophobicContact CD2-CD1 4.05Å; Y945-L958 HydrophobicContact CE1-CD1 3.97Å; Y945-L958 HydrophobicContact CE1-CD2 3.79Å; Y945-L958 HydrophobicContact CE2-CD1 4.19Å; Y945-L958 HydrophobicContact CG-CD1 3.87Å; V949-L958 HydrophobicContact CG1-CD1 3.94Å; V949-L958 HydrophobicContact CG1-CD2 3.98Å; V949-L958 HydrophobicContact CG1-CG 4.13Å; L950-L958 HydrophobicContact CD2-CD1 3.98Å; Q956-L958 PolarHBondContact O-N 3.18Å; L958-G960 PolarHBondContact O-N 2.74Å; L958-V961 HydrophobicContact CB-CB 4.04Å; L958-V961 HydrophobicContact CB-CG2 3.54Å; L958-V961 HydrophobicContact CD1-CG2 3.89Å; L958-V961 HydrophobicContact CG-CG2 4.39Å; L958-V961 PolarHBondContact O-N 3.32Å
959	K	61.7	Low	71.7	Confident	206 Å²	206	76 Å²	76	90%	0.896	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	120.4	177.7	-64.8	178.3	-179	176.1	0	110.6	L957	L957-K959 PolarHBondContact O-N 3.17Å
960	G	69.7	Low	71.7	Confident	72 Å²	72	75 Å²	75	74%	0.742	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	15.6	179.1	0	0	0	0	0	115.3	L958 Y969	L958-G960 PolarHBondContact O-N 2.74Å; G960-Y969 PolarHBondContact O-OH 2.88Å
961	V	72.6	Confident	72	Confident	23 Å²	23	75.7 Å²	75.7	14%	0.139	41%	0.41	C	S	.	.			trans	-95.9	119.5	170.7	174.7	0	0	0	0	110	Y945 L950 L958 R963 L966 Y969	Y945-V961 HydrophobicContact CD2-CG2 4.4Å; Y945-V961 HydrophobicContact CE2-CG2 3.88Å; L950-V961 HydrophobicContact CD2-CG1 4.33Å; L958-V961 HydrophobicContact CB-CB 4.04Å; L958-V961 HydrophobicContact CB-CG2 3.54Å; L958-V961 HydrophobicContact CD1-CG2 3.89Å; L958-V961 HydrophobicContact CG-CG2 4.39Å; L958-V961 PolarHBondContact O-N 3.32Å; V961-R963 PolarHBondContact O-N 2.92Å; V961-R963 VanDerWaalsContact O-N 3.14Å; V961-L966 HydrophobicContact CG1-CD2 3.44Å; V961-L966 VanDerWaalsContact CG1-CD2 3.44Å; V961-Y969 WeakPolarHBondContact CA-OH 3.37Å; V961-Y969 HydrophobicContact CB-CE1 4.14Å; V961-Y969 HydrophobicContact CG1-CD1 4.13Å; V961-Y969 HydrophobicContact CG1-CD2 3.97Å; V961-Y969 HydrophobicContact CG1-CE1 4.07Å; V961-Y969 HydrophobicContact CG1-CE2 3.91Å; V961-Y969 HydrophobicContact CG1-CG 4.07Å; V961-Y969 HydrophobicContact CG2-CD1 3.95Å; V961-Y969 HydrophobicContact CG2-CE1 3.75Å
962	D	71	Confident	72.2	Confident	67 Å²	67	77.9 Å²	77.9	36%	0.358	43%	0.428	S	S	.	.			trans	-73.8	100.3	179.9	-73	-42.7	0	0	0	109.7	K940 T964 Q965 Y969	K940-D962 IonicContact NZ-OD2 3.37Å; K940-D962 PolarHBondContact NZ-OD2 3.2Å; D962-T964 PolarHBondContact O-N 2.91Å; D962-Q965 CarbonylContact O-C 3.52Å; D962-Q965 PolarHBondContact O-N 3.05Å; D962-Y969 HydrophobicContact CB-CE2 4.31Å; D962-Y969 PolarHBondContact N-OH 2.87Å
963	R	71.4	Confident	73	Confident	195 Å²	195	78.3 Å²	78.3	74%	0.736	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-16.8	-176.1	-81.7	-177	164.1	178.7	-7.7	115.7	V961	V961-R963 PolarHBondContact O-N 2.92Å; V961-R963 VanDerWaalsContact O-N 3.14Å
964	T	71.9	Confident	73.9	Confident	103 Å²	103	76 Å²	76	63%	0.632	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.7	175	49.6	0	0	0	0	113.4	D962 K998	D962-T964 PolarHBondContact O-N 2.91Å; T964-K998 PolarHBondContact O-NZ 3.09Å
965	Q	75.8	Confident	75	Confident	85 Å²	85	74.7 Å²	74.7	40%	0.397	39%	0.394	S	S	.	.			trans	-129.8	33.7	-172.7	-66	-170.5	-11.8	0	0	112.9	D962 E967 C968 Y969	D962-Q965 CarbonylContact O-C 3.52Å; D962-Q965 PolarHBondContact O-N 3.05Å; Q965-E967 WeakPolarHBondContact CA-OE2 3.29Å; Q965-E967 PolarHBondContact O-N 2.88Å; Q965-C968 WeakPolarHBondContact O-CB 3.49Å; Q965-C968 PolarHBondContact O-N 2.92Å; Q965-Y969 WeakPolarHBondContact O-CD2 3.37Å
966	L	80.3	Confident	76.3	Confident	16 Å²	16	71.4 Å²	71.4	8%	0.084	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-55.6	-25.3	179.3	-60	-174.2	0	0	0	113.5	L950 V961 C968 Y969 L1003	L950-L966 HydrophobicContact CD2-CD2 4.34Å; L950-L966 WeakPolarHBondContact O-CD1 3.33Å; V961-L966 HydrophobicContact CG1-CD2 3.44Å; V961-L966 VanDerWaalsContact CG1-CD2 3.44Å; L966-C968 PolarHBondContact O-N 2.84Å; L966-Y969 PolarHBondContact O-N 2.8Å; L966-Y969 VanDerWaalsContact O-N 3.09Å; L966-L1003 HydrophobicContact CB-CD2 4.38Å; L966-L1003 HydrophobicContact CD1-CB 4.36Å; L966-L1003 HydrophobicContact CD1-CD2 4.21Å
967	E	80.6	Confident	77.4	Confident	23 Å²	23	73.6 Å²	73.6	11%	0.107	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-56.4	-29.7	171.5	63.8	-91.6	-136	0	0	113.9	Q965 Y969 F975 F986 K998	Q965-E967 WeakPolarHBondContact CA-OE2 3.29Å; Q965-E967 PolarHBondContact O-N 2.88Å; E967-Y969 VanDerWaalsContact C-N 3.29Å; E967-Y969 PolarHBondContact O-N 3.14Å; E967-F975 HydrophobicContact CB-CD2 4.28Å; E967-F975 HydrophobicContact CB-CE2 3.78Å; E967-F986 HydrophobicContact CB-CE1 4.04Å; E967-F986 HydrophobicContact CG-CD1 4.33Å; E967-F986 HydrophobicContact CG-CE1 3.78Å; E967-K998 WeakPolarHBondContact OE1-CE 3.14Å; E967-K998 IonicContact OE1-NZ 3.25Å; E967-K998 PolarHBondContact OE1-NZ 2.96Å; E967-K998 WeakPolarHBondContact OE2-CE 3.49Å; E967-K998 IonicContact OE2-NZ 3.48Å; E967-K998 PolarHBondContact OE2-NZ 3.06Å
968	C	81.9	Confident	78.8	Confident	39 Å²	39	68.8 Å²	68.8	26%	0.264	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-82.4	-7.7	-179	-60.7	0	0	0	0	112.9	F942 Q965 L966	F942-C968 WeakPolarHBondContact CB-O 3.47Å; F942-C968 HydrophobicContact CD1-CB 3.83Å; F942-C968 HydrophobicContact CD2-CB 3.81Å; F942-C968 HydrophobicContact CE1-CB 3.79Å; F942-C968 HydrophobicContact CE2-CB 3.77Å; F942-C968 HydrophobicContact CG-CB 3.84Å; F942-C968 WeakPolarHBondContact CG-O 3.32Å; F942-C968 HydrophobicContact CZ-CB 3.76Å; Q965-C968 WeakPolarHBondContact O-CB 3.49Å; Q965-C968 PolarHBondContact O-N 2.92Å; L966-C968 PolarHBondContact O-N 2.84Å
969	Y	82.3	Confident	79.9	Confident	11 Å²	11	67.1 Å²	67.1	4%	0.043	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-103.4	-4.3	179.2	-64.6	-96.8	0	0	0	112.8	F942 K943 I944 Y945 G960 V961 D962 Q965 L966 E967	F942-Y969 HydrophobicContact CD1-CD1 4.33Å; F942-Y969 HydrophobicContact CD1-CD2 4.12Å; F942-Y969 AromaticContact CD1-CE1 3.91Å; F942-Y969 HydrophobicContact CD1-CE1 3.91Å; F942-Y969 AromaticContact CD1-CE2 3.67Å; F942-Y969 HydrophobicContact CD1-CE2 3.67Å; F942-Y969 HydrophobicContact CD1-CG 4.44Å; F942-Y969 AromaticContact CD1-CZ 3.57Å; F942-Y969 AromaticContact CE1-CE2 3.88Å; F942-Y969 HydrophobicContact CE1-CE2 3.88Å; F942-Y969 AromaticContact CE1-CZ 3.96Å; K943-Y969 WeakPolarHBondContact O-CD1 3.21Å; I944-Y969 CarbonylContact C-O 3.48Å; I944-Y969 WeakPolarHBondContact CA-O 3.43Å; Y945-Y969 HydrophobicContact CD2-CD1 4.08Å; Y945-Y969 HydrophobicContact CE2-CD1 4.19Å; Y945-Y969 PolarHBondContact N-O 3.45Å; G960-Y969 PolarHBondContact O-OH 2.88Å; V961-Y969 WeakPolarHBondContact CA-OH 3.37Å; V961-Y969 HydrophobicContact CB-CE1 4.14Å; V961-Y969 HydrophobicContact CG1-CD1 4.13Å; V961-Y969 HydrophobicContact CG1-CD2 3.97Å; V961-Y969 HydrophobicContact CG1-CE1 4.07Å; V961-Y969 HydrophobicContact CG1-CE2 3.91Å; V961-Y969 HydrophobicContact CG1-CG 4.07Å; V961-Y969 HydrophobicContact CG2-CD1 3.95Å; V961-Y969 HydrophobicContact CG2-CE1 3.75Å; D962-Y969 HydrophobicContact CB-CE2 4.31Å; D962-Y969 PolarHBondContact N-OH 2.87Å; Q965-Y969 WeakPolarHBondContact O-CD2 3.37Å; L966-Y969 PolarHBondContact O-N 2.8Å; L966-Y969 VanDerWaalsContact O-N 3.09Å; E967-Y969 VanDerWaalsContact C-N 3.29Å; E967-Y969 PolarHBondContact O-N 3.14Å
970	L	82.5	Confident	81	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.063	34%	0.336	C	S	.	.	S	Bend	trans	-80.8	155.3	170.5	-78.2	155	0	0	0	110.8	L950 E974 F975 L978 F979 L1003	L950-L970 HydrophobicContact CD1-CD2 4.06Å; L950-L970 HydrophobicContact CD1-CG 3.8Å; L970-E974 HydrophobicContact CD2-CB 3.93Å; L970-F975 HydrophobicContact CB-CB 4.44Å; L970-F975 HydrophobicContact CD1-CD2 4.49Å; L970-L978 HydrophobicContact CD1-CD1 4.23Å; L970-L978 HydrophobicContact CD2-CD1 3.93Å; L970-F979 HydrophobicContact CD1-CE2 4.1Å; L970-L1003 HydrophobicContact CD1-CD1 3.98Å
971	S	83.9	Confident	81.8	Confident	24 Å²	24	63.1 Å²	63.1	17%	0.168	31%	0.312	C	S	.	.			trans	-68.7	157.7	165.3	64.9	0	0	0	0	110.9	D973 E974 F975	S971-D973 VanDerWaalsContact C-N 3.26Å; S971-D973 PolarHBondContact O-N 3.1Å; S971-E974 WeakPolarHBondContact CB-OE2 3.48Å; S971-E974 PolarHBondContact N-OE2 2.91Å; S971-E974 PolarHBondContact O-N 3.16Å; S971-E974 WeakPolarHBondContact OG-CB 3.32Å; S971-E974 WeakPolarHBondContact OG-CG 3.49Å; S971-E974 PolarHBondContact OG-N 2.69Å; S971-E974 VanDerWaalsContact OG-N 3.16Å; S971-E974 PolarHBondContact OG-OE2 3.41Å; S971-F975 VanDerWaalsContact O-CB 3.26Å; S971-F975 WeakPolarHBondContact O-CB 3.48Å; S971-F975 PolarHBondContact O-N 3.02Å
972	T	83.8	Confident	82.5	Confident	92 Å²	92	64.2 Å²	64.2	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-55.3	-44.1	174.6	42.6	0	0	0	0	111.8	F975 E976	T972-F975 WeakPolarHBondContact O-CB 3.39Å; T972-F975 PolarHBondContact O-N 3.44Å; T972-E976 WeakPolarHBondContact O-CG 3.49Å; T972-E976 PolarHBondContact O-N 3.41Å
973	D	86.8	Confident	83.2	Confident	85 Å²	85	63.1 Å²	63.1	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-45.9	178.9	-78.2	50	0	0	0	113.2	S971 R977	S971-D973 VanDerWaalsContact C-N 3.26Å; S971-D973 PolarHBondContact O-N 3.1Å; D973-R977 WeakPolarHBondContact O-CB 3.29Å; D973-R977 VanDerWaalsContact O-CD 3.3Å; D973-R977 WeakPolarHBondContact O-CD 3.4Å; D973-R977 WeakPolarHBondContact O-CG 3.36Å; D973-R977 PolarHBondContact O-N 2.87Å; D973-R977 VanDerWaalsContact O-N 3.1Å; D973-R977 IonicContact OD2-CZ 2.91Å; D973-R977 IonicContact OD2-NH2 3.41Å; D973-R977 PolarHBondContact OD2-NH2 2.68Å
974	E	85.4	Confident	83.9	Confident	36 Å²	36	59.2 Å²	59.2	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-68.5	-39.7	175	-70.8	167.1	107.9	0	0	111.1	P946 Y947 L970 S971 E976 R977 L978	P946-E974 VanDerWaalsContact CA-OE1 3.25Å; P946-E974 WeakPolarHBondContact CA-OE1 3.31Å; Y947-E974 PolarHBondContact N-OE1 3.01Å; L970-E974 HydrophobicContact CD2-CB 3.93Å; S971-E974 WeakPolarHBondContact CB-OE2 3.48Å; S971-E974 PolarHBondContact N-OE2 2.91Å; S971-E974 PolarHBondContact O-N 3.16Å; S971-E974 WeakPolarHBondContact OG-CB 3.32Å; S971-E974 WeakPolarHBondContact OG-CG 3.49Å; S971-E974 PolarHBondContact OG-N 2.69Å; S971-E974 VanDerWaalsContact OG-N 3.16Å; S971-E974 PolarHBondContact OG-OE2 3.41Å; E974-E976 PolarHBondContact O-N 2.88Å; E974-R977 PolarHBondContact O-N 3.26Å; E974-L978 WeakPolarHBondContact O-CB 3.14Å; E974-L978 WeakPolarHBondContact O-CG 3.18Å; E974-L978 PolarHBondContact O-N 2.99Å
975	F	88.3	Confident	84.6	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-50.1	177.2	-173.9	-84.4	0	0	0	110.9	E967 L970 S971 T972 R977 L978 F979 M981 P983 F986	E967-F975 HydrophobicContact CB-CD2 4.28Å; E967-F975 HydrophobicContact CB-CE2 3.78Å; L970-F975 HydrophobicContact CB-CB 4.44Å; L970-F975 HydrophobicContact CD1-CD2 4.49Å; S971-F975 VanDerWaalsContact O-CB 3.26Å; S971-F975 WeakPolarHBondContact O-CB 3.48Å; S971-F975 PolarHBondContact O-N 3.02Å; T972-F975 WeakPolarHBondContact O-CB 3.39Å; T972-F975 PolarHBondContact O-N 3.44Å; F975-R977 PolarHBondContact O-N 3.13Å; F975-L978 PolarHBondContact O-N 3.46Å; F975-F979 HydrophobicContact CD1-CD2 4.32Å; F975-F979 AromaticContact CD2-CD2 3.5Å; F975-F979 HydrophobicContact CD2-CD2 3.5Å; F975-F979 AromaticContact CD2-CE2 3.65Å; F975-F979 HydrophobicContact CD2-CE2 3.65Å; F975-F979 HydrophobicContact CD2-CG 4.42Å; F975-F979 HydrophobicContact CE1-CB 3.91Å; F975-F979 HydrophobicContact CE1-CD2 4.08Å; F975-F979 HydrophobicContact CE1-CG 4.14Å; F975-F979 HydrophobicContact CE2-CB 4.45Å; F975-F979 HydrophobicContact CE2-CD1 4.38Å; F975-F979 AromaticContact CE2-CD2 3.19Å; F975-F979 HydrophobicContact CE2-CD2 3.19Å; F975-F979 HydrophobicContact CE2-CE1 4.47Å; F975-F979 AromaticContact CE2-CE2 3.32Å; F975-F979 HydrophobicContact CE2-CE2 3.32Å; F975-F979 AromaticContact CE2-CG 3.77Å; F975-F979 HydrophobicContact CE2-CG 3.77Å; F975-F979 AromaticContact CE2-CZ 3.97Å; F975-F979 HydrophobicContact CE2-CZ 3.97Å; F975-F979 HydrophobicContact CG-CD2 4.03Å; F975-F979 HydrophobicContact CZ-CB 3.85Å; F975-F979 HydrophobicContact CZ-CD1 4.2Å; F975-F979 AromaticContact CZ-CD2 3.49Å; F975-F979 HydrophobicContact CZ-CD2 3.49Å; F975-F979 VanDerWaalsContact CZ-CD2 3.49Å; F975-F979 HydrophobicContact CZ-CE2 4.03Å; F975-F979 AromaticContact CZ-CG 3.58Å; F975-F979 HydrophobicContact CZ-CG 3.58Å; F975-F979 WeakPolarHBondContact O-CB 3.45Å; F975-F979 WeakPolarHBondContact O-CD2 3.35Å; F975-F979 PolarHBondContact O-N 2.83Å; F975-M981 WeakPolarHBondContact CD1-O 3.35Å; F975-M981 HydrophobicContact CE1-CG 4.35Å; F975-M981 WeakPolarHBondContact CE1-O 3.48Å; F975-P983 HydrophobicContact CD1-CB 4.26Å; F975-P983 HydrophobicContact CD1-CG 3.66Å; F975-P983 HydrophobicContact CE1-CB 4.35Å; F975-P983 HydrophobicContact CE1-CG 4.21Å; F975-P983 HydrophobicContact CG-CG 4.07Å; F975-F986 HydrophobicContact CE1-CB 3.93Å; F975-F986 HydrophobicContact CE1-CG 4.45Å; F975-F986 HydrophobicContact CE2-CD1 4.3Å; F975-F986 HydrophobicContact CE2-CG 4.3Å; F975-F986 HydrophobicContact CZ-CB 3.47Å; F975-F986 VanDerWaalsContact CZ-CB 3.47Å; F975-F986 AromaticContact CZ-CD1 3.93Å; F975-F986 HydrophobicContact CZ-CD1 3.93Å; F975-F986 AromaticContact CZ-CD2 3.92Å; F975-F986 HydrophobicContact CZ-CD2 3.92Å; F975-F986 AromaticContact CZ-CG 3.53Å; F975-F986 HydrophobicContact CZ-CG 3.53Å
976	E	87.4	Confident	85.2	Confident	96 Å²	96	51.9 Å²	51.9	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-37.9	179	-71.6	-171.1	171.6	0	0	112.3	T972 E974 L978 N980 C982	T972-E976 WeakPolarHBondContact O-CG 3.49Å; T972-E976 PolarHBondContact O-N 3.41Å; E974-E976 PolarHBondContact O-N 2.88Å; E976-L978 PolarHBondContact O-N 2.81Å; E976-N980 WeakPolarHBondContact O-CA 3.32Å; E976-N980 PolarHBondContact O-N 3.21Å; E976-C982 WeakPolarHBondContact OE1-CA 3.34Å; E976-C982 WeakPolarHBondContact OE1-CB 3.19Å
977	R	86.9	Confident	85.5	Confident	170 Å²	170	56.9 Å²	56.9	64%	0.642	29%	0.294	S	S	*	.	H	α-helix	trans	-66.7	-31.1	175.4	-71.7	166.7	-164.6	150.2	15.2	113.9	D973 E974 F975	D973-R977 WeakPolarHBondContact O-CB 3.29Å; D973-R977 VanDerWaalsContact O-CD 3.3Å; D973-R977 WeakPolarHBondContact O-CD 3.4Å; D973-R977 WeakPolarHBondContact O-CG 3.36Å; D973-R977 PolarHBondContact O-N 2.87Å; D973-R977 VanDerWaalsContact O-N 3.1Å; D973-R977 IonicContact OD2-CZ 2.91Å; D973-R977 IonicContact OD2-NH2 3.41Å; D973-R977 PolarHBondContact OD2-NH2 2.68Å; E974-R977 PolarHBondContact O-N 3.26Å; F975-R977 PolarHBondContact O-N 3.13Å
978	L	86.5	Confident	85.9	Confident	42 Å²	42	63.5 Å²	63.5	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-91	-40.8	-177.2	-66.6	172.2	0	0	0	112.9	Y947 L970 E974 F975 E976 L1001	Y947-L978 HydrophobicContact CD1-CD1 3.91Å; Y947-L978 HydrophobicContact CD1-CD2 3.65Å; Y947-L978 HydrophobicContact CD1-CG 4.42Å; Y947-L978 HydrophobicContact CD2-CD1 3.58Å; Y947-L978 HydrophobicContact CE1-CD1 4.23Å; Y947-L978 HydrophobicContact CE1-CD2 3.42Å; Y947-L978 VanDerWaalsContact CE1-CD2 3.42Å; Y947-L978 HydrophobicContact CE1-CG 4.49Å; Y947-L978 HydrophobicContact CE2-CD1 3.95Å; Y947-L978 HydrophobicContact CE2-CD2 4.37Å; Y947-L978 HydrophobicContact CG-CD1 3.56Å; Y947-L978 HydrophobicContact CG-CD2 4.2Å; L970-L978 HydrophobicContact CD1-CD1 4.23Å; L970-L978 HydrophobicContact CD2-CD1 3.93Å; E974-L978 WeakPolarHBondContact O-CB 3.14Å; E974-L978 WeakPolarHBondContact O-CG 3.18Å; E974-L978 PolarHBondContact O-N 2.99Å; F975-L978 PolarHBondContact O-N 3.46Å; E976-L978 PolarHBondContact O-N 2.81Å; L978-L1001 HydrophobicContact CB-CD1 3.92Å; L978-L1001 HydrophobicContact CB-CD2 4.19Å; L978-L1001 HydrophobicContact CD2-CD2 4.23Å
979	F	86.7	Confident	86.1	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-95.9	-11.3	-177.1	-68	-90.5	0	0	0	113.5	L970 F975 M981 F986 L997 L1001 L1003	L970-F979 HydrophobicContact CD1-CE2 4.1Å; F975-F979 HydrophobicContact CD1-CD2 4.32Å; F975-F979 AromaticContact CD2-CD2 3.5Å; F975-F979 HydrophobicContact CD2-CD2 3.5Å; F975-F979 AromaticContact CD2-CE2 3.65Å; F975-F979 HydrophobicContact CD2-CE2 3.65Å; F975-F979 HydrophobicContact CD2-CG 4.42Å; F975-F979 HydrophobicContact CE1-CB 3.91Å; F975-F979 HydrophobicContact CE1-CD2 4.08Å; F975-F979 HydrophobicContact CE1-CG 4.14Å; F975-F979 HydrophobicContact CE2-CB 4.45Å; F975-F979 HydrophobicContact CE2-CD1 4.38Å; F975-F979 AromaticContact CE2-CD2 3.19Å; F975-F979 HydrophobicContact CE2-CD2 3.19Å; F975-F979 HydrophobicContact CE2-CE1 4.47Å; F975-F979 AromaticContact CE2-CE2 3.32Å; F975-F979 HydrophobicContact CE2-CE2 3.32Å; F975-F979 AromaticContact CE2-CG 3.77Å; F975-F979 HydrophobicContact CE2-CG 3.77Å; F975-F979 AromaticContact CE2-CZ 3.97Å; F975-F979 HydrophobicContact CE2-CZ 3.97Å; F975-F979 HydrophobicContact CG-CD2 4.03Å; F975-F979 HydrophobicContact CZ-CB 3.85Å; F975-F979 HydrophobicContact CZ-CD1 4.2Å; F975-F979 AromaticContact CZ-CD2 3.49Å; F975-F979 HydrophobicContact CZ-CD2 3.49Å; F975-F979 VanDerWaalsContact CZ-CD2 3.49Å; F975-F979 HydrophobicContact CZ-CE2 4.03Å; F975-F979 AromaticContact CZ-CG 3.58Å; F975-F979 HydrophobicContact CZ-CG 3.58Å; F975-F979 WeakPolarHBondContact O-CB 3.45Å; F975-F979 WeakPolarHBondContact O-CD2 3.35Å; F975-F979 PolarHBondContact O-N 2.83Å; F979-M981 HydrophobicContact CB-CG 4.04Å; F979-M981 VanDerWaalsContact O-CE 3.22Å; F979-M981 WeakPolarHBondContact O-CE 3.28Å; F979-M981 PolarHBondContact O-N 3.44Å; F979-F986 AromaticContact CD1-CD2 3.79Å; F979-F986 HydrophobicContact CD1-CD2 3.79Å; F979-F986 AromaticContact CD1-CE2 3.54Å; F979-F986 HydrophobicContact CD1-CE2 3.54Å; F979-F986 HydrophobicContact CD1-CZ 4.4Å; F979-F986 HydrophobicContact CE1-CD2 4.08Å; F979-F986 AromaticContact CE1-CE2 3.39Å; F979-F986 HydrophobicContact CE1-CE2 3.39Å; F979-F986 AromaticContact CE1-CZ 3.85Å; F979-F986 HydrophobicContact CE1-CZ 3.85Å; F979-F986 HydrophobicContact CG-CD2 4.45Å; F979-F986 HydrophobicContact CZ-CE2 4.28Å; F979-F986 HydrophobicContact CZ-CZ 4.37Å; F979-L997 HydrophobicContact CD1-CB 3.93Å; F979-L997 HydrophobicContact CD1-CD1 4.45Å; F979-L997 HydrophobicContact CE1-CB 3.87Å; F979-L1001 HydrophobicContact CD1-CD1 3.9Å; F979-L1001 HydrophobicContact CD2-CD1 3.95Å; F979-L1001 HydrophobicContact CE1-CD1 3.59Å; F979-L1001 HydrophobicContact CE2-CD1 3.65Å; F979-L1001 HydrophobicContact CG-CD1 4.09Å; F979-L1001 HydrophobicContact CZ-CD1 3.47Å; F979-L1001 VanDerWaalsContact CZ-CD1 3.47Å; F979-L1003 HydrophobicContact CE2-CD1 4.16Å; F979-L1003 HydrophobicContact CZ-CD1 3.91Å
980	N	86.2	Confident	86.4	Confident	144 Å²	144	65.9 Å²	65.9	77%	0.77	33%	0.333	S	S	*	.	S	Bend	trans	54.2	33	-174.6	-64.7	-52.5	0	0	0	113.5	E976	E976-N980 WeakPolarHBondContact O-CA 3.32Å; E976-N980 PolarHBondContact O-N 3.21Å
981	M	85.4	Confident	86.5	Confident	50 Å²	50	71.4 Å²	71.4	25%	0.246	36%	0.358	C	S	.	.	S	Bend	trans	-159.1	154.8	177.3	68.4	-171	77.7	0	0	110	F975 F979 A985 F986 L989 L997	F975-M981 WeakPolarHBondContact CD1-O 3.35Å; F975-M981 HydrophobicContact CE1-CG 4.35Å; F975-M981 WeakPolarHBondContact CE1-O 3.48Å; F979-M981 HydrophobicContact CB-CG 4.04Å; F979-M981 VanDerWaalsContact O-CE 3.22Å; F979-M981 WeakPolarHBondContact O-CE 3.28Å; F979-M981 PolarHBondContact O-N 3.44Å; M981-A985 HydrophobicContact CB-CB 4.11Å; M981-A985 HydrophobicContact CG-CB 4.46Å; M981-F986 HydrophobicContact CG-CB 4.22Å; M981-F986 HydrophobicContact SD-CB 3.9Å; M981-F986 HydrophobicContact SD-CD2 4.14Å; M981-L989 HydrophobicContact CE-CD1 4.11Å; M981-L989 HydrophobicContact SD-CD1 3.74Å; M981-L997 HydrophobicContact CE-CD1 3.79Å; M981-L997 HydrophobicContact SD-CD1 4.48Å
982	C	86.9	Confident	86.7	Confident	47 Å²	47	78.5 Å²	78.5	32%	0.318	38%	0.381	S	S	.	.			trans	-69.5	156.5	175.1	64.8	0	0	0	0	112.2	E976 E984 A985 F986	E976-C982 WeakPolarHBondContact OE1-CA 3.34Å; E976-C982 WeakPolarHBondContact OE1-CB 3.19Å; C982-E984 PolarHBondContact O-N 3.4Å; C982-E984 VanDerWaalsContact O-N 3.16Å; C982-A985 WeakPolarHBondContact O-CB 3.37Å; C982-A985 PolarHBondContact O-N 3.34Å; C982-F986 PolarHBondContact O-N 3.31Å; C982-F986 VanDerWaalsContact O-N 3.15Å
983	P	86	Confident	87	Confident	44 Å²	44	78.6 Å²	78.6	29%	0.286	37%	0.374	S	S	.	.	H	α-helix	trans	-54.9	-35.8	-178.4	-27.9	34.9	0	0	0	114.1	F975 F986 Q987	F975-P983 HydrophobicContact CD1-CB 4.26Å; F975-P983 HydrophobicContact CD1-CG 3.66Å; F975-P983 HydrophobicContact CE1-CB 4.35Å; F975-P983 HydrophobicContact CE1-CG 4.21Å; F975-P983 HydrophobicContact CG-CG 4.07Å; P983-F986 PolarHBondContact O-N 2.98Å; P983-Q987 WeakPolarHBondContact O-CG 3.34Å; P983-Q987 PolarHBondContact O-N 2.84Å
984	E	85.4	Confident	87.1	Confident	112 Å²	112	77.6 Å²	77.6	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-65.9	-42	176.1	-53.5	-176.7	178.2	0	0	112.9	C982 F986 Q987 R988	C982-E984 PolarHBondContact O-N 3.4Å; C982-E984 VanDerWaalsContact O-N 3.16Å; E984-F986 PolarHBondContact O-N 3.38Å; E984-Q987 PolarHBondContact O-N 3.49Å; E984-R988 VanDerWaalsContact O-CG 3.31Å; E984-R988 WeakPolarHBondContact O-CG 3.16Å; E984-R988 PolarHBondContact O-N 3.26Å; E984-R988 IonicContact OE2-CZ 2.87Å; E984-R988 VanDerWaalsContact OE2-CZ 3.25Å; E984-R988 IonicContact OE2-NH1 3.87Å; E984-R988 PolarHBondContact OE2-NH1 3.22Å; E984-R988 IonicContact OE2-NH2 3.08Å; E984-R988 PolarHBondContact OE2-NH2 2.82Å
985	A	86.8	Confident	87.2	Confident	33 Å²	33	77.7 Å²	77.7	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-36.1	178.4	0	0	0	0	0	110.6	M981 C982 R988	M981-A985 HydrophobicContact CB-CB 4.11Å; M981-A985 HydrophobicContact CG-CB 4.46Å; C982-A985 WeakPolarHBondContact O-CB 3.37Å; C982-A985 PolarHBondContact O-N 3.34Å; A985-R988 PolarHBondContact O-N 2.06Å
986	F	89.5	Confident	87.3	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-45.4	171.6	-177.2	-100.1	0	0	0	112.5	E967 F975 F979 M981 C982 P983 E984 R988 L989 R994 L997 K998	E967-F986 HydrophobicContact CB-CE1 4.04Å; E967-F986 HydrophobicContact CG-CD1 4.33Å; E967-F986 HydrophobicContact CG-CE1 3.78Å; F975-F986 HydrophobicContact CE1-CB 3.93Å; F975-F986 HydrophobicContact CE1-CG 4.45Å; F975-F986 HydrophobicContact CE2-CD1 4.3Å; F975-F986 HydrophobicContact CE2-CG 4.3Å; F975-F986 HydrophobicContact CZ-CB 3.47Å; F975-F986 VanDerWaalsContact CZ-CB 3.47Å; F975-F986 AromaticContact CZ-CD1 3.93Å; F975-F986 HydrophobicContact CZ-CD1 3.93Å; F975-F986 AromaticContact CZ-CD2 3.92Å; F975-F986 HydrophobicContact CZ-CD2 3.92Å; F975-F986 AromaticContact CZ-CG 3.53Å; F975-F986 HydrophobicContact CZ-CG 3.53Å; F979-F986 AromaticContact CD1-CD2 3.79Å; F979-F986 HydrophobicContact CD1-CD2 3.79Å; F979-F986 AromaticContact CD1-CE2 3.54Å; F979-F986 HydrophobicContact CD1-CE2 3.54Å; F979-F986 HydrophobicContact CD1-CZ 4.4Å; F979-F986 HydrophobicContact CE1-CD2 4.08Å; F979-F986 AromaticContact CE1-CE2 3.39Å; F979-F986 HydrophobicContact CE1-CE2 3.39Å; F979-F986 AromaticContact CE1-CZ 3.85Å; F979-F986 HydrophobicContact CE1-CZ 3.85Å; F979-F986 HydrophobicContact CG-CD2 4.45Å; F979-F986 HydrophobicContact CZ-CE2 4.28Å; F979-F986 HydrophobicContact CZ-CZ 4.37Å; M981-F986 HydrophobicContact CG-CB 4.22Å; M981-F986 HydrophobicContact SD-CB 3.9Å; M981-F986 HydrophobicContact SD-CD2 4.14Å; C982-F986 PolarHBondContact O-N 3.31Å; C982-F986 VanDerWaalsContact O-N 3.15Å; P983-F986 PolarHBondContact O-N 2.98Å; E984-F986 PolarHBondContact O-N 3.38Å; F986-R988 PolarHBondContact O-N 3.42Å; F986-L989 HydrophobicContact CD2-CD1 4.37Å; F986-L989 VanDerWaalsContact O-CB 3.29Å; F986-L989 WeakPolarHBondContact O-CB 3.15Å; F986-L989 PolarHBondContact O-N 3.17Å; F986-R994 HydrophobicContact CD1-CG 3.98Å; F986-R994 HydrophobicContact CD2-CG 4.12Å; F986-R994 HydrophobicContact CE1-CB 3.99Å; F986-R994 HydrophobicContact CE1-CG 3.66Å; F986-R994 HydrophobicContact CE2-CB 3.98Å; F986-R994 HydrophobicContact CE2-CG 3.82Å; F986-R994 HydrophobicContact CG-CG 4.2Å; F986-R994 HydrophobicContact CZ-CB 3.55Å; F986-R994 HydrophobicContact CZ-CG 3.59Å; F986-R994 VanDerWaalsContact O-CD 3.23Å; F986-R994 WeakPolarHBondContact O-CD 3.1Å; F986-R994 WeakPolarHBondContact O-CG 3.43Å; F986-L997 HydrophobicContact CD2-CD1 3.99Å; F986-L997 HydrophobicContact CE2-CB 4Å; F986-L997 HydrophobicContact CE2-CD1 3.9Å; F986-K998 HydrophobicContact CZ-CG 4.33Å
987	Q	86.2	Confident	87.4	Confident	120 Å²	120	77.3 Å²	77.3	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-60.5	-31.5	176.8	-72.5	-179.5	19.2	0	0	113	P983 E984 L989	P983-Q987 WeakPolarHBondContact O-CG 3.34Å; P983-Q987 PolarHBondContact O-N 2.84Å; E984-Q987 PolarHBondContact O-N 3.49Å; Q987-L989 PolarHBondContact O-N 3.36Å
988	R	88.5	Confident	87.4	Confident	163 Å²	163	69.4 Å²	69.4	62%	0.615	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.3	172.9	-67.2	166	-174.9	122.2	7.1	113.7	E984 A985 F986	E984-R988 VanDerWaalsContact O-CG 3.31Å; E984-R988 WeakPolarHBondContact O-CG 3.16Å; E984-R988 PolarHBondContact O-N 3.26Å; E984-R988 IonicContact OE2-CZ 2.87Å; E984-R988 VanDerWaalsContact OE2-CZ 3.25Å; E984-R988 IonicContact OE2-NH1 3.87Å; E984-R988 PolarHBondContact OE2-NH1 3.22Å; E984-R988 IonicContact OE2-NH2 3.08Å; E984-R988 PolarHBondContact OE2-NH2 2.82Å; A985-R988 PolarHBondContact O-N 2.06Å; F986-R988 PolarHBondContact O-N 3.42Å
989	L	87.6	Confident	87.4	Confident	32 Å²	32	73 Å²	73	17%	0.168	35%	0.351	C	S	.	.	S	Bend	trans	-82.1	143.2	177	-60.6	-179.3	0	0	0	112.6	M981 F986 Q987 K993 R994 L997	M981-L989 HydrophobicContact CE-CD1 4.11Å; M981-L989 HydrophobicContact SD-CD1 3.74Å; F986-L989 HydrophobicContact CD2-CD1 4.37Å; F986-L989 VanDerWaalsContact O-CB 3.29Å; F986-L989 WeakPolarHBondContact O-CB 3.15Å; F986-L989 PolarHBondContact O-N 3.17Å; Q987-L989 PolarHBondContact O-N 3.36Å; L989-K993 HydrophobicContact CD1-CD 4.38Å; L989-K993 HydrophobicContact CD1-CG 4.32Å; L989-K993 HydrophobicContact CD2-CD 4.12Å; L989-R994 HydrophobicContact CB-CG 3.91Å; L989-R994 PolarHBondContact O-NE 2.97Å; L989-R994 VanDerWaalsContact O-NE 3.17Å; L989-L997 HydrophobicContact CD1-CD1 3.56Å
990	P	87.1	Confident	87.5	Confident	68 Å²	68	80.3 Å²	80.3	44%	0.442	38%	0.382	S	S	.	.			trans	-51.7	145	169.8	-27.8	35.5	0	0	0	112.6	W992 K993 R994	P990-W992 VanDerWaalsContact C-N 3.3Å; P990-W992 HydrophobicContact CB-CG 4.47Å; P990-W992 PolarHBondContact O-N 3.3Å; P990-K993 WeakPolarHBondContact O-CA 3.22Å; P990-K993 WeakPolarHBondContact O-CB 3.41Å; P990-K993 PolarHBondContact O-N 2.88Å; P990-R994 PolarHBondContact O-N 3.35Å
991	E	85.6	Confident	87.3	Confident	128 Å²	128	74.5 Å²	74.5	60%	0.598	35%	0.351	S	S	*	.	H	α-helix	trans	-56.1	-41.6	-173.4	-162.2	-158.9	135.7	0	0	113	K993 R994 N995	E991-K993 VanDerWaalsContact C-N 3.28Å; E991-K993 PolarHBondContact O-N 3.16Å; E991-R994 PolarHBondContact O-N 2.92Å; E991-N995 WeakPolarHBondContact O-CB 3.31Å; E991-N995 PolarHBondContact O-N 3.21Å; E991-N995 PolarHBondContact O-ND2 2.94Å; E991-N995 PolarHBondContact OE1-ND2 3Å
992	W	87.7	Confident	87.1	Confident	172 Å²	172	76.1 Å²	76.1	65%	0.652	36%	0.361	S	S	*	.	H	α-helix	trans	-58.5	-40.1	175.8	67.4	-97.3	0	0	0	112.2	P990 N995 D996	P990-W992 VanDerWaalsContact C-N 3.3Å; P990-W992 HydrophobicContact CB-CG 4.47Å; P990-W992 PolarHBondContact O-N 3.3Å; W992-N995 PolarHBondContact O-N 3.44Å; W992-D996 WeakPolarHBondContact O-CB 3.14Å; W992-D996 VanDerWaalsContact O-CG 3.29Å; W992-D996 PolarHBondContact O-N 2.9Å
993	K	89.1	Confident	86.7	Confident	95 Å²	95	73.9 Å²	73.9	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-75.3	-34	-179.9	-171.2	174.2	171.7	-175.7	0	111.7	L989 P990 E991 L997	L989-K993 HydrophobicContact CD1-CD 4.38Å; L989-K993 HydrophobicContact CD1-CG 4.32Å; L989-K993 HydrophobicContact CD2-CD 4.12Å; P990-K993 WeakPolarHBondContact O-CA 3.22Å; P990-K993 WeakPolarHBondContact O-CB 3.41Å; P990-K993 PolarHBondContact O-N 2.88Å; E991-K993 VanDerWaalsContact C-N 3.28Å; E991-K993 PolarHBondContact O-N 3.16Å; K993-L997 WeakPolarHBondContact O-CG 3.19Å; K993-L997 PolarHBondContact O-N 3.47Å; K993-L997 VanDerWaalsContact O-N 3.08Å
994	R	90.5	Very high	85.9	Confident	64 Å²	64	76.8 Å²	76.8	24%	0.242	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-46.9	167.6	-75.7	-165.9	-86.6	138.8	-1	111.2	F986 L989 P990 E991 D996 L997 K998	F986-R994 HydrophobicContact CD1-CG 3.98Å; F986-R994 HydrophobicContact CD2-CG 4.12Å; F986-R994 HydrophobicContact CE1-CB 3.99Å; F986-R994 HydrophobicContact CE1-CG 3.66Å; F986-R994 HydrophobicContact CE2-CB 3.98Å; F986-R994 HydrophobicContact CE2-CG 3.82Å; F986-R994 HydrophobicContact CG-CG 4.2Å; F986-R994 HydrophobicContact CZ-CB 3.55Å; F986-R994 HydrophobicContact CZ-CG 3.59Å; F986-R994 VanDerWaalsContact O-CD 3.23Å; F986-R994 WeakPolarHBondContact O-CD 3.1Å; F986-R994 WeakPolarHBondContact O-CG 3.43Å; L989-R994 HydrophobicContact CB-CG 3.91Å; L989-R994 PolarHBondContact O-NE 2.97Å; L989-R994 VanDerWaalsContact O-NE 3.17Å; P990-R994 PolarHBondContact O-N 3.35Å; E991-R994 PolarHBondContact O-N 2.92Å; R994-D996 PolarHBondContact O-N 3.36Å; R994-L997 PolarHBondContact O-N 3.29Å; R994-K998 WeakPolarHBondContact O-CG 3.29Å; R994-K998 PolarHBondContact O-N 2.89Å
995	N	87.4	Confident	85.9	Confident	37 Å²	37	75 Å²	75	20%	0.198	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-37.8	179.8	-67.2	-17.5	0	0	0	111.8	E991 W992 L997 K998 K999 L1004	E991-N995 WeakPolarHBondContact O-CB 3.31Å; E991-N995 PolarHBondContact O-N 3.21Å; E991-N995 PolarHBondContact O-ND2 2.94Å; E991-N995 PolarHBondContact OE1-ND2 3Å; W992-N995 PolarHBondContact O-N 3.44Å; N995-L997 VanDerWaalsContact C-N 3.32Å; N995-L997 PolarHBondContact O-N 2.77Å; N995-K998 PolarHBondContact O-N 2.66Å; N995-K999 VanDerWaalsContact O-CG 3.31Å; N995-K999 WeakPolarHBondContact O-CG 3.34Å; N995-K999 PolarHBondContact O-N 3.11Å; N995-L1004 HydrophobicContact CB-CD1 3.87Å
996	D	89.2	Confident	85.8	Confident	62 Å²	62	77.2 Å²	77.2	33%	0.332	35%	0.354	S	S	.	.	H	α-helix	trans	-70.8	-24.1	174.3	-71.8	-16.3	0	0	0	113.6	W992 R994 K999 K1000	W992-D996 WeakPolarHBondContact O-CB 3.14Å; W992-D996 VanDerWaalsContact O-CG 3.29Å; W992-D996 PolarHBondContact O-N 2.9Å; R994-D996 PolarHBondContact O-N 3.36Å; D996-K999 IonicContact OD1-NZ 3.84Å; D996-K999 PolarHBondContact OD1-NZ 3.19Å; D996-K1000 WeakPolarHBondContact O-CG 3.48Å; D996-K1000 PolarHBondContact O-N 3Å
997	L	89.1	Confident	85.6	Confident	31 Å²	31	81.4 Å²	81.4	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-74.7	-42.3	168	-73.7	168.7	0	0	0	111.5	F979 M981 F986 L989 K993 R994 N995 K999 K1000	F979-L997 HydrophobicContact CD1-CB 3.93Å; F979-L997 HydrophobicContact CD1-CD1 4.45Å; F979-L997 HydrophobicContact CE1-CB 3.87Å; M981-L997 HydrophobicContact CE-CD1 3.79Å; M981-L997 HydrophobicContact SD-CD1 4.48Å; F986-L997 HydrophobicContact CD2-CD1 3.99Å; F986-L997 HydrophobicContact CE2-CB 4Å; F986-L997 HydrophobicContact CE2-CD1 3.9Å; L989-L997 HydrophobicContact CD1-CD1 3.56Å; K993-L997 WeakPolarHBondContact O-CG 3.19Å; K993-L997 PolarHBondContact O-N 3.47Å; K993-L997 VanDerWaalsContact O-N 3.08Å; R994-L997 PolarHBondContact O-N 3.29Å; N995-L997 VanDerWaalsContact C-N 3.32Å; N995-L997 PolarHBondContact O-N 2.77Å; L997-K999 PolarHBondContact O-N 3.03Å; L997-K1000 WeakPolarHBondContact O-CB 3.3Å; L997-K1000 PolarHBondContact O-N 2.73Å; L997-K1000 VanDerWaalsContact O-N 3.13Å
998	K	87.5	Confident	85.6	Confident	4 Å²	4	79.1 Å²	79.1	2%	0.017	36%	0.362	C	S	.	.	H	α-helix	trans	-58.9	-44.4	173.8	-66.5	174.7	-163.4	-170.3	0	112.1	T964 E967 F986 R994 N995 K1000 L1001 D1002 L1003 L1004	T964-K998 PolarHBondContact O-NZ 3.09Å; E967-K998 WeakPolarHBondContact OE1-CE 3.14Å; E967-K998 IonicContact OE1-NZ 3.25Å; E967-K998 PolarHBondContact OE1-NZ 2.96Å; E967-K998 WeakPolarHBondContact OE2-CE 3.49Å; E967-K998 IonicContact OE2-NZ 3.48Å; E967-K998 PolarHBondContact OE2-NZ 3.06Å; F986-K998 HydrophobicContact CZ-CG 4.33Å; R994-K998 WeakPolarHBondContact O-CG 3.29Å; R994-K998 PolarHBondContact O-N 2.89Å; N995-K998 PolarHBondContact O-N 2.66Å; K998-K1000 PolarHBondContact O-N 3.42Å; K998-L1001 CarbonylContact O-C 3.53Å; K998-L1001 PolarHBondContact O-N 3.28Å; K998-D1002 PolarHBondContact O-N 3.39Å; K998-L1003 HydrophobicContact CB-CB 4.01Å; K998-L1003 HydrophobicContact CG-CB 4.41Å; K998-L1003 PolarHBondContact O-N 3.46Å; K998-L1004 HydrophobicContact CB-CD1 3.9Å; K998-L1004 HydrophobicContact CB-CG 3.85Å; K998-L1004 HydrophobicContact CD-CD1 4.24Å; K998-L1004 HydrophobicContact CD-CG 4.17Å
999	K	86.9	Confident	85.4	Confident	116 Å²	116	73.9 Å²	73.9	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-27.2	175.2	-71.8	172.7	-161	159.8	0	114	N995 D996 L997 L1001 L1004	N995-K999 VanDerWaalsContact O-CG 3.31Å; N995-K999 WeakPolarHBondContact O-CG 3.34Å; N995-K999 PolarHBondContact O-N 3.11Å; D996-K999 IonicContact OD1-NZ 3.84Å; D996-K999 PolarHBondContact OD1-NZ 3.19Å; L997-K999 PolarHBondContact O-N 3.03Å; K999-L1001 PolarHBondContact O-N 3.07Å; K999-L1004 HydrophobicContact CG-CB 4.27Å; K999-L1004 HydrophobicContact CG-CD1 4.14Å
1000	K	87.8	Confident	85.3	Confident	162 Å²	162	76.7 Å²	76.7	70%	0.704	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.2	176.6	-74	170.1	-178	179.7	0	113.4	D996 L997 K998	D996-K1000 WeakPolarHBondContact O-CG 3.48Å; D996-K1000 PolarHBondContact O-N 3Å; L997-K1000 WeakPolarHBondContact O-CB 3.3Å; L997-K1000 PolarHBondContact O-N 2.73Å; L997-K1000 VanDerWaalsContact O-N 3.13Å; K998-K1000 PolarHBondContact O-N 3.42Å
1001	L	82.2	Confident	85.1	Confident	22 Å²	22	77.3 Å²	77.3	12%	0.115	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	12.9	-176.9	-61.5	171.3	0	0	0	111.3	Y947 L978 F979 K998 K999 L1003	Y947-L1001 HydrophobicContact CE2-CB 4.16Å; Y947-L1001 WeakPolarHBondContact CE2-O 3.42Å; Y947-L1001 WeakPolarHBondContact OH-CA 3.4Å; Y947-L1001 PolarHBondContact OH-O 2.85Å; Y947-L1001 VanDerWaalsContact OH-O 3.14Å; L978-L1001 HydrophobicContact CB-CD1 3.92Å; L978-L1001 HydrophobicContact CB-CD2 4.19Å; L978-L1001 HydrophobicContact CD2-CD2 4.23Å; F979-L1001 HydrophobicContact CD1-CD1 3.9Å; F979-L1001 HydrophobicContact CD2-CD1 3.95Å; F979-L1001 HydrophobicContact CE1-CD1 3.59Å; F979-L1001 HydrophobicContact CE2-CD1 3.65Å; F979-L1001 HydrophobicContact CG-CD1 4.09Å; F979-L1001 HydrophobicContact CZ-CD1 3.47Å; F979-L1001 VanDerWaalsContact CZ-CD1 3.47Å; K998-L1001 CarbonylContact O-C 3.53Å; K998-L1001 PolarHBondContact O-N 3.28Å; K999-L1001 PolarHBondContact O-N 3.07Å; L1001-L1003 HydrophobicContact CB-CD1 3.97Å; L1001-L1003 HydrophobicContact CB-CG 4.03Å; L1001-L1003 HydrophobicContact CD1-CD1 4.24Å; L1001-L1003 PolarHBondContact O-N 2.74Å; L1001-L1003 VanDerWaalsContact O-N 3.14Å
1002	D	82.2	Confident	85.1	Confident	84 Å²	84	73.4 Å²	73.4	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.3	-171.9	-57.7	-22.8	0	0	0	113.3	K951 S952 K998 L1004	K951-D1002 CarbonylContact C-O 3.45Å; K951-D1002 WeakPolarHBondContact CA-O 3.14Å; S952-D1002 WeakPolarHBondContact CB-O 3.49Å; S952-D1002 PolarHBondContact N-O 3.33Å; S952-D1002 PolarHBondContact OG-O 3.35Å; K998-D1002 PolarHBondContact O-N 3.39Å; D1002-L1004 VanDerWaalsContact C-N 3.33Å
1003	L	78.3	Confident	84.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.307	C	S	.	.			trans	-96.3	20.9	176.4	-65.1	173.3	0	0	0	112.6	Y947 L950 L966 L970 F979 K998 L1001	Y947-L1003 HydrophobicContact CD2-CD2 4.34Å; Y947-L1003 HydrophobicContact CE2-CD1 4.47Å; Y947-L1003 HydrophobicContact CE2-CD2 4.3Å; Y947-L1003 HydrophobicContact CE2-CG 4.31Å; L950-L1003 HydrophobicContact CB-CD2 3.9Å; L966-L1003 HydrophobicContact CB-CD2 4.38Å; L966-L1003 HydrophobicContact CD1-CB 4.36Å; L966-L1003 HydrophobicContact CD1-CD2 4.21Å; L970-L1003 HydrophobicContact CD1-CD1 3.98Å; F979-L1003 HydrophobicContact CE2-CD1 4.16Å; F979-L1003 HydrophobicContact CZ-CD1 3.91Å; K998-L1003 HydrophobicContact CB-CB 4.01Å; K998-L1003 HydrophobicContact CG-CB 4.41Å; K998-L1003 PolarHBondContact O-N 3.46Å; L1001-L1003 HydrophobicContact CB-CD1 3.97Å; L1001-L1003 HydrophobicContact CB-CG 4.03Å; L1001-L1003 HydrophobicContact CD1-CD1 4.24Å; L1001-L1003 PolarHBondContact O-N 2.74Å; L1001-L1003 VanDerWaalsContact O-N 3.14Å
1004	L	68.1	Low	84.5	Confident	105 Å²	105	62.5 Å²	62.5	55%	0.55	30%	0.298	S	S	.	.			trans	-145.7	0	170	-82.1	177	0	0	0	109.6	S952 N995 K998 K999 D1002	S952-L1004 WeakPolarHBondContact CB-OXT 3.47Å; S952-L1004 PolarHBondContact OG-OXT 3.34Å; S952-L1004 VanDerWaalsContact OG-OXT 3.05Å; N995-L1004 HydrophobicContact CB-CD1 3.87Å; K998-L1004 HydrophobicContact CB-CD1 3.9Å; K998-L1004 HydrophobicContact CB-CG 3.85Å; K998-L1004 HydrophobicContact CD-CD1 4.24Å; K998-L1004 HydrophobicContact CD-CG 4.17Å; K999-L1004 HydrophobicContact CG-CB 4.27Å; K999-L1004 HydrophobicContact CG-CD1 4.14Å; D1002-L1004 VanDerWaalsContact C-N 3.33Å

Retrieved 1,004 of 1,004 residues in 1600.7 ms (Link to these results)

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