A0A5K4FDR6_SCHMA Loading...

Ricin B-type lectin domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FDR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 aa.

						>A0A5K4FDR6_SCHMA|A0A5K4FDR6
MHLCNSNSLHLDIIWIKAKVHTFLYSLYSSTSSQSILLSSSLSLPTSSSSSSFLSSTISKIFFKLFSLLRSLVRFNDILVTNYLGFYVICIKCLLRLCLIRYRTIMTNKDVRNYRYFKNNHRIQLSSRRHAHFHKHLSWYKGIKTVSDHLNSSKNMNYETTISDTVHNECINAECNSRKHFRSYSYRTISSESSSHRFEYTIQYYAIFLYILFALSNVQCINGKPTSLSINGTFAETSSSIYSSNMSSSGISPNSSLSPPSLIISSNHTTEASSVDDLMIQHLDLSTFQTSSSTHSNRKVPITNVFMRSHRSRRSLSFYMSNLDTSPLFLTPFAQNHPMKARFLSIDNNGTIKLVKSFKDTSALITISIIAEWSTPMNKDSLLKLLKPRDGSRVILRKFAKNICICMHLNGTVYTERIINQTLTDNCEWHLRVSRHGIGFEHQLTEDDITDESQQHSLLNPSNNAKIYDGRSPTLNVIDEKSYTIASGWTHQLWQPEATWQVYGFQPKGLLAVIEKQRNSSGFQRFVSMDKESFNQSDVNNTSTISPSSSSNTVKIGSQKMLVLEAPAYYFNTLHHKAKLKHCSMLKSKLVKLVQTELLMSLQTLDKYRQAFQKFTLLIYKHSMTNHKYNINKVASNTVAELLDQWLMLLDYKWRQTIRLTYKADSVSNYQVDNCSLSFKSSFEINTVGNDSDDRILVKFYETQLKTKIYYDLFEIVQDIVQWTDEQKQHWLQNPRVIKLFHYLHIKCPSSKRLRQASFILRRYLPNYSPEVIHPKNNFHFGLMGSLEPETFKKFLAHDIKSANKLIDRAVYMKFEEYYFWPILRHVNTKAIMEHSIFFENDVRNEIKQMPSNSMCYRLFMRNWKFYRENDSSRSCLK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.6	Very low	34.7	Very low	207 Å²	207	109.3 Å²	109.3	100%	1.02	58%	0.583	S	S	*	*				0	-47.8	0	-138.1	168.6	163.8	0	0	113.3	L3 C4 N5	M1-L3 PolarHBondContact O-N 3.26Å; M1-C4 PolarHBondContact O-N 2.95Å; M1-N5 PolarHBondContact O-N 2.83Å
2	H	25.6	Very low	35.5	Very low	155 Å²	155	103.1 Å²	103.1	72%	0.718	55%	0.55	S	S	*	*	H	α-helix	trans	-55.5	-32.3	173.8	-93	-70.1	0	0	0	114.6	S6	H2-S6 PolarHBondContact O-N 3.26Å; H2-S6 VanDerWaalsContact O-N 3.07Å
3	L	31.7	Very low	36.3	Very low	135 Å²	135	100.9 Å²	100.9	71%	0.707	54%	0.537	S	S	*	.	H	α-helix	trans	-76.2	-26.4	175.2	-90.2	151.3	0	0	0	114.6	M1 S6 N7	M1-L3 PolarHBondContact O-N 3.26Å; L3-S6 WeakPolarHBondContact CA-OG 3.42Å; L3-S6 PolarHBondContact O-OG 3.46Å; L3-S6 VanDerWaalsContact O-OG 3.11Å; L3-N7 PolarHBondContact O-N 2.97Å
4	C	31.8	Very low	37	Very low	94 Å²	94	100.1 Å²	100.1	64%	0.635	53%	0.532	S	S	*	.	H	α-helix	trans	-72.6	-35.1	176.2	-73.7	0	0	0	0	111.5	M1 S8	M1-C4 PolarHBondContact O-N 2.95Å; C4-S8 PolarHBondContact O-N 3.4Å
5	N	30.6	Very low	38	Very low	102 Å²	102	99.9 Å²	99.9	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-85.7	-24.9	176.6	-85.3	-9.6	0	0	0	113.8	M1 N7 S8 L9	M1-N5 PolarHBondContact O-N 2.83Å; N5-N7 PolarHBondContact O-N 3.24Å; N5-S8 PolarHBondContact O-N 3.39Å; N5-S8 PolarHBondContact O-OG 3.04Å; N5-L9 VanDerWaalsContact O-CB 3.28Å; N5-L9 WeakPolarHBondContact O-CB 3.46Å; N5-L9 PolarHBondContact O-N 3.16Å
6	S	34.1	Very low	38.3	Very low	55 Å²	55	96.4 Å²	96.4	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-34.8	168.1	67.8	0	0	0	0	110.9	H2 L3 L9 H10	H2-S6 PolarHBondContact O-N 3.26Å; H2-S6 VanDerWaalsContact O-N 3.07Å; L3-S6 WeakPolarHBondContact CA-OG 3.42Å; L3-S6 PolarHBondContact O-OG 3.46Å; L3-S6 VanDerWaalsContact O-OG 3.11Å; S6-L9 PolarHBondContact O-N 3.15Å; S6-H10 WeakPolarHBondContact O-CB 3.5Å; S6-H10 PolarHBondContact O-N 3.4Å
7	N	36.9	Very low	38.7	Very low	101 Å²	101	100.1 Å²	100.1	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-42.1	173.5	-79.8	-15.4	0	0	0	112.6	L3 N5 L11	L3-N7 PolarHBondContact O-N 2.97Å; N5-N7 PolarHBondContact O-N 3.24Å; N7-L11 VanDerWaalsContact O-CB 3.28Å; N7-L11 WeakPolarHBondContact O-CB 3.41Å; N7-L11 WeakPolarHBondContact O-CD1 3.46Å; N7-L11 WeakPolarHBondContact O-CG 3.38Å; N7-L11 PolarHBondContact O-N 3.12Å
8	S	38.9	Very low	39.3	Very low	51 Å²	51	97.3 Å²	97.3	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-39.6	175.7	82	0	0	0	0	111.7	C4 N5 L11 D12	C4-S8 PolarHBondContact O-N 3.4Å; N5-S8 PolarHBondContact O-N 3.39Å; N5-S8 PolarHBondContact O-OG 3.04Å; S8-L11 WeakPolarHBondContact O-CB 3.48Å; S8-L11 PolarHBondContact O-N 3.48Å; S8-D12 WeakPolarHBondContact O-CB 3.21Å; S8-D12 PolarHBondContact O-N 3.09Å
9	L	37.2	Very low	39.8	Very low	66 Å²	66	95.8 Å²	95.8	35%	0.346	50%	0.497	S	S	.	.	H	α-helix	trans	-72.4	-35.5	179.6	-156.3	133.5	0	0	0	112.2	N5 S6 D12 I13 L68	N5-L9 VanDerWaalsContact O-CB 3.28Å; N5-L9 WeakPolarHBondContact O-CB 3.46Å; N5-L9 PolarHBondContact O-N 3.16Å; S6-L9 PolarHBondContact O-N 3.15Å; L9-D12 PolarHBondContact O-N 3.41Å; L9-I13 HydrophobicContact CD2-CD1 3.81Å; L9-I13 HydrophobicContact CD2-CG1 4.47Å; L9-I13 VanDerWaalsContact O-CG1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 2.92Å; L9-L68 HydrophobicContact CD1-CD2 3.97Å
10	H	44.6	Very low	40.1	Very low	122 Å²	122	94.2 Å²	94.2	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-68.6	-37.7	172.3	-160.9	-60.1	0	0	0	110.9	S6 I14	S6-H10 WeakPolarHBondContact O-CB 3.5Å; S6-H10 PolarHBondContact O-N 3.4Å; H10-I14 VanDerWaalsContact ND1-CD1 3.25Å; H10-I14 WeakPolarHBondContact ND1-CD1 3.48Å; H10-I14 WeakPolarHBondContact O-CB 3.03Å; H10-I14 WeakPolarHBondContact O-CD1 3.48Å; H10-I14 WeakPolarHBondContact O-CG1 2.96Å; H10-I14 PolarHBondContact O-N 3.15Å
11	L	47.1	Very low	40.4	Very low	114 Å²	114	95.8 Å²	95.8	60%	0.597	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-41.1	171.1	-76.6	164.7	0	0	0	111.4	N7 S8 I14 W15	N7-L11 VanDerWaalsContact O-CB 3.28Å; N7-L11 WeakPolarHBondContact O-CB 3.41Å; N7-L11 WeakPolarHBondContact O-CD1 3.46Å; N7-L11 WeakPolarHBondContact O-CG 3.38Å; N7-L11 PolarHBondContact O-N 3.12Å; S8-L11 WeakPolarHBondContact O-CB 3.48Å; S8-L11 PolarHBondContact O-N 3.48Å; L11-I14 PolarHBondContact O-N 3.39Å; L11-W15 VanDerWaalsContact O-CB 3.3Å; L11-W15 WeakPolarHBondContact O-CB 3.34Å; L11-W15 PolarHBondContact O-N 2.89Å
12	D	44.3	Very low	41.4	Very low	35 Å²	35	90 Å²	90	19%	0.187	47%	0.472	C	S	.	.	H	α-helix	trans	-69.3	-39	177.5	-79.1	-32.3	0	0	0	112.1	S8 L9 W15 I16 K64 L68	S8-D12 WeakPolarHBondContact O-CB 3.21Å; S8-D12 PolarHBondContact O-N 3.09Å; L9-D12 PolarHBondContact O-N 3.41Å; D12-W15 CarbonylContact O-C 3.58Å; D12-W15 WeakPolarHBondContact O-CB 3.48Å; D12-W15 PolarHBondContact O-N 2.89Å; D12-I16 WeakPolarHBondContact O-CB 3.39Å; D12-I16 VanDerWaalsContact O-CG1 3.28Å; D12-I16 WeakPolarHBondContact O-CG1 3.33Å; D12-I16 PolarHBondContact O-N 2.78Å; D12-K64 WeakPolarHBondContact OD1-CE 3.5Å; D12-K64 IonicContact OD1-NZ 2.75Å; D12-L68 HydrophobicContact CB-CD1 4.44Å
13	I	45.1	Very low	42.2	Very low	75 Å²	75	85.7 Å²	85.7	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-43	172.6	-70.4	169.9	0	0	0	110.7	L9 W15 I16 K17	L9-I13 HydrophobicContact CD2-CD1 3.81Å; L9-I13 HydrophobicContact CD2-CG1 4.47Å; L9-I13 VanDerWaalsContact O-CG1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 2.92Å; I13-W15 VanDerWaalsContact C-N 3.26Å; I13-W15 PolarHBondContact O-N 3.49Å; I13-I16 PolarHBondContact O-N 3.34Å; I13-K17 VanDerWaalsContact O-CB 3.27Å; I13-K17 WeakPolarHBondContact O-CB 3.43Å; I13-K17 PolarHBondContact O-N 3.3Å
14	I	46.2	Very low	42.8	Very low	89 Å²	89	84.4 Å²	84.4	46%	0.456	45%	0.445	S	S	.	.	H	α-helix	trans	-59.2	-42.4	173.4	-71.9	166.7	0	0	0	109.9	H10 L11 K17 A18	H10-I14 VanDerWaalsContact ND1-CD1 3.25Å; H10-I14 WeakPolarHBondContact ND1-CD1 3.48Å; H10-I14 WeakPolarHBondContact O-CB 3.03Å; H10-I14 WeakPolarHBondContact O-CD1 3.48Å; H10-I14 WeakPolarHBondContact O-CG1 2.96Å; H10-I14 PolarHBondContact O-N 3.15Å; L11-I14 PolarHBondContact O-N 3.39Å; I14-K17 PolarHBondContact O-N 2.83Å; I14-A18 WeakPolarHBondContact O-CB 3.26Å; I14-A18 PolarHBondContact O-N 3.12Å
15	W	52	Low	43.4	Very low	97 Å²	97	87.1 Å²	87.1	37%	0.367	44%	0.443	S	S	.	.	H	α-helix	trans	-67.7	-44.7	179.9	-171.6	90.6	0	0	0	112.5	L11 D12 I13 K17 A18 K19	L11-W15 VanDerWaalsContact O-CB 3.3Å; L11-W15 WeakPolarHBondContact O-CB 3.34Å; L11-W15 PolarHBondContact O-N 2.89Å; D12-W15 CarbonylContact O-C 3.58Å; D12-W15 WeakPolarHBondContact O-CB 3.48Å; D12-W15 PolarHBondContact O-N 2.89Å; I13-W15 VanDerWaalsContact C-N 3.26Å; I13-W15 PolarHBondContact O-N 3.49Å; W15-K17 VanDerWaalsContact C-N 3.34Å; W15-K17 PolarHBondContact O-N 3.28Å; W15-A18 PolarHBondContact O-N 2.94Å; W15-K19 HydrophobicContact CD2-CG 4.07Å; W15-K19 HydrophobicContact CE3-CG 4.05Å; W15-K19 HydrophobicContact CH2-CD 4.31Å; W15-K19 HydrophobicContact CH2-CG 3.79Å; W15-K19 HydrophobicContact CZ2-CD 4.21Å; W15-K19 VanDerWaalsContact CZ2-CE 3.46Å; W15-K19 HydrophobicContact CZ2-CG 3.79Å; W15-K19 HydrophobicContact CZ3-CG 3.91Å; W15-K19 WeakPolarHBondContact O-CB 3.44Å; W15-K19 PolarHBondContact O-N 3.28Å
16	I	43.8	Very low	44	Very low	45 Å²	45	85 Å²	85	23%	0.231	44%	0.436	C	S	.	.	H	α-helix	trans	-60.2	-46.4	174.5	-69.4	167.2	0	0	0	109.6	D12 I13 A18 K19 V20	D12-I16 WeakPolarHBondContact O-CB 3.39Å; D12-I16 VanDerWaalsContact O-CG1 3.28Å; D12-I16 WeakPolarHBondContact O-CG1 3.33Å; D12-I16 PolarHBondContact O-N 2.78Å; I13-I16 PolarHBondContact O-N 3.34Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-A18 PolarHBondContact O-N 3.47Å; I16-K19 PolarHBondContact O-N 3.16Å; I16-V20 HydrophobicContact CG2-CG2 4.29Å; I16-V20 WeakPolarHBondContact O-CB 3.43Å; I16-V20 VanDerWaalsContact O-CG2 3.31Å; I16-V20 WeakPolarHBondContact O-CG2 3.43Å; I16-V20 PolarHBondContact O-N 3.44Å
17	K	44.4	Very low	44.2	Very low	159 Å²	159	85.7 Å²	85.7	69%	0.691	44%	0.435	S	S	*	.	H	α-helix	trans	-59.2	-43.1	176.1	-175.4	180	-179.9	-179	0	111.6	I13 I14 W15 H21	I13-K17 VanDerWaalsContact O-CB 3.27Å; I13-K17 WeakPolarHBondContact O-CB 3.43Å; I13-K17 PolarHBondContact O-N 3.3Å; I14-K17 PolarHBondContact O-N 2.83Å; W15-K17 VanDerWaalsContact C-N 3.34Å; W15-K17 PolarHBondContact O-N 3.28Å; K17-H21 VanDerWaalsContact O-CB 3.3Å; K17-H21 WeakPolarHBondContact O-CB 3.29Å; K17-H21 PolarHBondContact O-N 3.49Å
18	A	49	Very low	44.4	Very low	49 Å²	49	88.7 Å²	88.7	41%	0.405	44%	0.44	S	S	.	.	H	α-helix	trans	-65	-43.2	177	0	0	0	0	0	111.8	I14 W15 I16 H21 T22	I14-A18 WeakPolarHBondContact O-CB 3.26Å; I14-A18 PolarHBondContact O-N 3.12Å; W15-A18 PolarHBondContact O-N 2.94Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-A18 PolarHBondContact O-N 3.47Å; A18-H21 PolarHBondContact O-N 3.27Å; A18-T22 WeakPolarHBondContact O-CB 3.35Å; A18-T22 PolarHBondContact O-N 3.18Å; A18-T22 PolarHBondContact O-OG1 3.31Å
19	K	50.3	Low	44.3	Very low	69 Å²	69	88.3 Å²	88.3	30%	0.3	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-43.9	177.2	-85.6	-74	-177.2	-176.2	0	112.5	W15 I16 T22 F23	W15-K19 HydrophobicContact CD2-CG 4.07Å; W15-K19 HydrophobicContact CE3-CG 4.05Å; W15-K19 HydrophobicContact CH2-CD 4.31Å; W15-K19 HydrophobicContact CH2-CG 3.79Å; W15-K19 HydrophobicContact CZ2-CD 4.21Å; W15-K19 VanDerWaalsContact CZ2-CE 3.46Å; W15-K19 HydrophobicContact CZ2-CG 3.79Å; W15-K19 HydrophobicContact CZ3-CG 3.91Å; W15-K19 WeakPolarHBondContact O-CB 3.44Å; W15-K19 PolarHBondContact O-N 3.28Å; I16-K19 PolarHBondContact O-N 3.16Å; K19-T22 PolarHBondContact O-N 3.28Å; K19-F23 WeakPolarHBondContact O-CB 3.36Å; K19-F23 PolarHBondContact O-N 3.24Å
20	V	45.1	Very low	44.2	Very low	64 Å²	64	87.5 Å²	87.5	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-42.9	175.3	172.4	0	0	0	0	110.7	I16 F23 L24	I16-V20 HydrophobicContact CG2-CG2 4.29Å; I16-V20 WeakPolarHBondContact O-CB 3.43Å; I16-V20 VanDerWaalsContact O-CG2 3.31Å; I16-V20 WeakPolarHBondContact O-CG2 3.43Å; I16-V20 PolarHBondContact O-N 3.44Å; V20-F23 PolarHBondContact O-N 3.44Å; V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.48Å; V20-L24 PolarHBondContact O-N 3.46Å
21	H	45.4	Very low	43.7	Very low	127 Å²	127	85.9 Å²	85.9	59%	0.588	44%	0.436	S	S	*	.	H	α-helix	trans	-63	-43.3	175.6	-174.2	-82.8	0	0	0	111.9	K17 A18 F23 L24 Y25	K17-H21 VanDerWaalsContact O-CB 3.3Å; K17-H21 WeakPolarHBondContact O-CB 3.29Å; K17-H21 PolarHBondContact O-N 3.49Å; A18-H21 PolarHBondContact O-N 3.27Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 3.37Å; H21-L24 PolarHBondContact O-N 3.42Å; H21-Y25 VanDerWaalsContact O-CB 3.28Å; H21-Y25 WeakPolarHBondContact O-CB 3.42Å; H21-Y25 PolarHBondContact O-N 3.2Å
22	T	45.5	Very low	43	Very low	86 Å²	86	83.2 Å²	83.2	53%	0.528	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-41.9	177.2	-49.6	0	0	0	0	110.9	A18 K19 Y25 S26	A18-T22 WeakPolarHBondContact O-CB 3.35Å; A18-T22 PolarHBondContact O-N 3.18Å; A18-T22 PolarHBondContact O-OG1 3.31Å; K19-T22 PolarHBondContact O-N 3.28Å; T22-Y25 PolarHBondContact O-N 3.36Å; T22-S26 WeakPolarHBondContact O-CB 3.48Å; T22-S26 PolarHBondContact O-N 3.01Å
23	F	42.7	Very low	42.3	Very low	65 Å²	65	84 Å²	84	29%	0.285	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-53.3	175.1	173.6	-102.2	0	0	0	111.5	K19 V20 H21 Y25 S26 L27 L54	K19-F23 WeakPolarHBondContact O-CB 3.36Å; K19-F23 PolarHBondContact O-N 3.24Å; V20-F23 PolarHBondContact O-N 3.44Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 3.37Å; F23-Y25 VanDerWaalsContact C-N 3.26Å; F23-Y25 PolarHBondContact O-N 3.01Å; F23-S26 PolarHBondContact O-N 3.3Å; F23-S26 VanDerWaalsContact O-N 3.08Å; F23-S26 PolarHBondContact O-OG 2.73Å; F23-L27 HydrophobicContact CD1-CD1 4.44Å; F23-L27 HydrophobicContact CE1-CD1 3.6Å; F23-L27 HydrophobicContact CE2-CD1 3.83Å; F23-L27 HydrophobicContact CZ-CD1 3.25Å; F23-L27 WeakPolarHBondContact O-CB 3.23Å; F23-L27 PolarHBondContact O-N 3.49Å; F23-L54 HydrophobicContact CE2-CD1 3.99Å; F23-L54 HydrophobicContact CZ-CD1 4.14Å
24	L	45	Very low	41.6	Very low	107 Å²	107	85.7 Å²	85.7	56%	0.56	44%	0.441	S	S	*	.	H	α-helix	trans	-57.8	-39.7	178	-73	171	0	0	0	111.8	V20 H21 L27 Y28	V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.48Å; V20-L24 PolarHBondContact O-N 3.46Å; H21-L24 PolarHBondContact O-N 3.42Å; L24-L27 PolarHBondContact O-N 3.24Å; L24-Y28 WeakPolarHBondContact O-CB 3.39Å; L24-Y28 PolarHBondContact O-N 3.16Å
25	Y	44.4	Very low	40.9	Very low	151 Å²	151	85.6 Å²	85.6	59%	0.592	45%	0.449	S	S	*	.	H	α-helix	trans	-68.8	-38.7	176.5	-161.7	-90.8	0	0	0	112.4	H21 T22 F23 L27 S29	H21-Y25 VanDerWaalsContact O-CB 3.28Å; H21-Y25 WeakPolarHBondContact O-CB 3.42Å; H21-Y25 PolarHBondContact O-N 3.2Å; T22-Y25 PolarHBondContact O-N 3.36Å; F23-Y25 VanDerWaalsContact C-N 3.26Å; F23-Y25 PolarHBondContact O-N 3.01Å; Y25-L27 VanDerWaalsContact C-N 3.33Å; Y25-S29 VanDerWaalsContact O-CB 3.31Å; Y25-S29 WeakPolarHBondContact O-CB 3.29Å; Y25-S29 PolarHBondContact O-N 3.35Å; Y25-S29 PolarHBondContact O-OG 3.13Å
26	S	41.8	Very low	39.8	Very low	57 Å²	57	87 Å²	87	40%	0.399	46%	0.462	S	S	.	.	H	α-helix	trans	-66.9	-36	175.1	80.7	0	0	0	0	112	T22 F23 S29 S30	T22-S26 WeakPolarHBondContact O-CB 3.48Å; T22-S26 PolarHBondContact O-N 3.01Å; F23-S26 PolarHBondContact O-N 3.3Å; F23-S26 VanDerWaalsContact O-N 3.08Å; F23-S26 PolarHBondContact O-OG 2.73Å; S26-S29 CarbonylContact O-C 3.52Å; S26-S29 PolarHBondContact O-N 3.31Å; S26-S30 WeakPolarHBondContact O-CB 3.29Å; S26-S30 PolarHBondContact O-N 3.42Å; S26-S30 PolarHBondContact O-OG 2.96Å
27	L	38.5	Very low	39	Very low	70 Å²	70	90.4 Å²	90.4	37%	0.366	48%	0.48	S	S	.	.	H	α-helix	trans	-74.8	-38	-179.8	-145.4	145.6	0	0	0	110.7	F23 L24 Y25 S30 T31	F23-L27 HydrophobicContact CD1-CD1 4.44Å; F23-L27 HydrophobicContact CE1-CD1 3.6Å; F23-L27 HydrophobicContact CE2-CD1 3.83Å; F23-L27 HydrophobicContact CZ-CD1 3.25Å; F23-L27 WeakPolarHBondContact O-CB 3.23Å; F23-L27 PolarHBondContact O-N 3.49Å; L24-L27 PolarHBondContact O-N 3.24Å; Y25-L27 VanDerWaalsContact C-N 3.33Å; L27-S30 WeakPolarHBondContact CA-OG 3.21Å; L27-S30 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-OG 3.07Å; L27-S30 VanDerWaalsContact O-OG 3.05Å; L27-T31 WeakPolarHBondContact O-CB 3.4Å; L27-T31 WeakPolarHBondContact O-CG2 3.31Å; L27-T31 PolarHBondContact O-N 3.03Å; L27-T31 PolarHBondContact O-OG1 2.93Å
28	Y	41.1	Very low	38.1	Very low	164 Å²	164	90.4 Å²	90.4	64%	0.643	49%	0.487	S	S	*	.	H	α-helix	trans	-62.3	-43	167.8	-176	-100.4	0	0	0	111.6	L24 T31 S32	L24-Y28 WeakPolarHBondContact O-CB 3.39Å; L24-Y28 PolarHBondContact O-N 3.16Å; Y28-T31 WeakPolarHBondContact CA-OG1 3.44Å; Y28-T31 PolarHBondContact O-OG1 2.88Å; Y28-T31 VanDerWaalsContact O-OG1 3.05Å; Y28-S32 WeakPolarHBondContact O-CB 3.47Å; Y28-S32 PolarHBondContact O-N 3.45Å
29	S	37.5	Very low	37.1	Very low	43 Å²	43	93.4 Å²	93.4	30%	0.301	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-34.8	178.3	-60.3	0	0	0	0	112.6	Y25 S26 S33	Y25-S29 VanDerWaalsContact O-CB 3.31Å; Y25-S29 WeakPolarHBondContact O-CB 3.29Å; Y25-S29 PolarHBondContact O-N 3.35Å; Y25-S29 PolarHBondContact O-OG 3.13Å; S26-S29 CarbonylContact O-C 3.52Å; S26-S29 PolarHBondContact O-N 3.31Å; S29-S33 VanDerWaalsContact O-CB 3.22Å; S29-S33 WeakPolarHBondContact O-CB 3.4Å; S29-S33 PolarHBondContact O-N 3.48Å; S29-S33 PolarHBondContact O-OG 3.4Å
30	S	34.1	Very low	35.9	Very low	49 Å²	49	93.7 Å²	93.7	34%	0.343	52%	0.515	S	S	.	.	H	α-helix	trans	-72.4	-41	177.7	70	0	0	0	0	111.5	S26 L27 S32 S33 Q34	S26-S30 WeakPolarHBondContact O-CB 3.29Å; S26-S30 PolarHBondContact O-N 3.42Å; S26-S30 PolarHBondContact O-OG 2.96Å; L27-S30 WeakPolarHBondContact CA-OG 3.21Å; L27-S30 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-OG 3.07Å; L27-S30 VanDerWaalsContact O-OG 3.05Å; S30-S32 VanDerWaalsContact C-N 3.34Å; S30-S33 WeakPolarHBondContact CA-OG 3.41Å; S30-S33 PolarHBondContact O-N 2.85Å; S30-S33 PolarHBondContact O-OG 2.83Å; S30-Q34 WeakPolarHBondContact O-CB 3.34Å; S30-Q34 PolarHBondContact O-N 3.42Å
31	T	34.1	Very low	35	Very low	88 Å²	88	95.6 Å²	95.6	54%	0.54	53%	0.532	S	S	.	.	H	α-helix	trans	-66.9	-33.8	173.3	48.1	0	0	0	0	112.3	L27 Y28	L27-T31 WeakPolarHBondContact O-CB 3.4Å; L27-T31 WeakPolarHBondContact O-CG2 3.31Å; L27-T31 PolarHBondContact O-N 3.03Å; L27-T31 PolarHBondContact O-OG1 2.93Å; Y28-T31 WeakPolarHBondContact CA-OG1 3.44Å; Y28-T31 PolarHBondContact O-OG1 2.88Å; Y28-T31 VanDerWaalsContact O-OG1 3.05Å
32	S	33.1	Very low	34	Very low	58 Å²	58	98.2 Å²	98.2	41%	0.406	55%	0.549	S	S	.	.	H	α-helix	trans	-80.6	-21.4	175.4	101.5	0	0	0	0	114.4	Y28 S30 S35	Y28-S32 WeakPolarHBondContact O-CB 3.47Å; Y28-S32 PolarHBondContact O-N 3.45Å; S30-S32 VanDerWaalsContact C-N 3.34Å; S32-S35 PolarHBondContact O-OG 2.59Å
33	S	30.3	Very low	33	Very low	51 Å²	51	98.4 Å²	98.4	36%	0.357	55%	0.554	S	S	.	*	H	α-helix	trans	-93.2	-27.8	179.1	54	0	0	0	0	112.8	S29 S30 S35 I36 L37	S29-S33 VanDerWaalsContact O-CB 3.22Å; S29-S33 WeakPolarHBondContact O-CB 3.4Å; S29-S33 PolarHBondContact O-N 3.48Å; S29-S33 PolarHBondContact O-OG 3.4Å; S30-S33 WeakPolarHBondContact CA-OG 3.41Å; S30-S33 PolarHBondContact O-N 2.85Å; S30-S33 PolarHBondContact O-OG 2.83Å; S33-S35 VanDerWaalsContact C-N 3.29Å; S33-S35 PolarHBondContact O-N 3.45Å; S33-I36 WeakPolarHBondContact O-CB 3.42Å; S33-I36 PolarHBondContact O-N 3.42Å; S33-L37 PolarHBondContact O-N 3.35Å
34	Q	29.1	Very low	32	Very low	111 Å²	111	103.2 Å²	103.2	52%	0.519	58%	0.582	S	S	.	*	H	α-helix	trans	-74.8	-16.2	174.3	-76.7	-173.5	-14.5	0	0	113.8	S30 I36	S30-Q34 WeakPolarHBondContact O-CB 3.34Å; S30-Q34 PolarHBondContact O-N 3.42Å; Q34-I36 PolarHBondContact O-N 2.99Å
35	S	31.2	Very low	31	Very low	88 Å²	88	103.9 Å²	103.9	62%	0.615	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-17.1	164.8	63	0	0	0	0	112.7	S32 S33	S32-S35 PolarHBondContact O-OG 2.59Å; S33-S35 VanDerWaalsContact C-N 3.29Å; S33-S35 PolarHBondContact O-N 3.45Å
36	I	30.1	Very low	30.1	Very low	126 Å²	126	102.7 Å²	102.7	65%	0.646	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-29.4	-178.8	-59.1	175.4	0	0	0	111.5	S33 Q34	S33-I36 WeakPolarHBondContact O-CB 3.42Å; S33-I36 PolarHBondContact O-N 3.42Å; Q34-I36 PolarHBondContact O-N 2.99Å
37	L	25.7	Very low	29.3	Very low	117 Å²	117	105.2 Å²	105.2	61%	0.613	62%	0.619	S	S	*	*	S	Bend	trans	-89.6	4.1	-176.2	-90.9	156.9	0	0	0	115.7	S33 S39	S33-L37 PolarHBondContact O-N 3.35Å; L37-S39 PolarHBondContact O-N 3.33Å
38	L	25.5	Very low	28.9	Very low	158 Å²	158	105.6 Å²	105.6	83%	0.827	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	13.5	178.6	-96.9	156.4	0	0	0	114.7
39	S	27.7	Very low	28.4	Very low	113 Å²	113	102.5 Å²	102.5	79%	0.79	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-1.9	176.7	50	0	0	0	0	115.2	L37	L37-S39 PolarHBondContact O-N 3.33Å
40	S	25.1	Very low	28.1	Very low	74 Å²	74	104.5 Å²	104.5	52%	0.517	64%	0.644	S	S	.	*	S	Bend	trans	-115.8	102.9	178.1	58.5	0	0	0	0	112.2
41	S	26.3	Very low	27.9	Very low	105 Å²	105	105.7 Å²	105.7	73%	0.734	65%	0.652	S	S	*	*			trans	39.7	117.2	152.9	56.1	0	0	0	0	119.5	S43	S41-S43 PolarHBondContact O-N 3.41Å
42	L	25.2	Very low	28	Very low	181 Å²	181	104.5 Å²	104.5	95%	0.948	65%	0.647	S	S	*	*			trans	-45.1	103.5	158.9	-97.8	77.9	0	0	0	111.5
43	S	23.8	Very low	28.1	Very low	90 Å²	90	109 Å²	109	63%	0.629	66%	0.66	S	S	*	*			trans	-144.7	106.1	144.8	58.8	0	0	0	0	105.4	S41 P45	S41-S43 PolarHBondContact O-N 3.41Å; S43-P45 WeakPolarHBondContact O-CD 3.49Å; S43-P45 WeakPolarHBondContact O-CG 3.46Å
44	L	22.7	Very low	28.3	Very low	167 Å²	167	110.4 Å²	110.4	87%	0.874	66%	0.663	S	S	*	*			trans	-41.7	107.1	175.9	-100.9	73.8	0	0	0	109.9	T46	L44-T46 PolarHBondContact O-N 3.43Å
45	P	23.5	Very low	28.7	Very low	120 Å²	120	109 Å²	109	78%	0.779	67%	0.665	S	S	*	*			trans	-87.3	107	162.1	7.1	14.9	0	0	0	104.6	S43 S47	S43-P45 WeakPolarHBondContact O-CD 3.49Å; S43-P45 WeakPolarHBondContact O-CG 3.46Å; P45-S47 PolarHBondContact O-N 3.27Å; P45-S47 VanDerWaalsContact O-N 3.07Å
46	T	24.8	Very low	29.3	Very low	126 Å²	126	107.1 Å²	107.1	77%	0.773	65%	0.652	S	S	*	*			trans	-37	117.3	170.3	41.9	0	0	0	0	110.6	L44 S48	L44-T46 PolarHBondContact O-N 3.43Å; T46-S48 PolarHBondContact O-N 3.14Å; T46-S48 VanDerWaalsContact O-N 3.15Å
47	S	27	Very low	30.1	Very low	111 Å²	111	102.1 Å²	102.1	78%	0.776	63%	0.627	S	S	*	*	S	Bend	trans	-54.6	106	-179.5	47.8	0	0	0	0	112.5	P45	P45-S47 PolarHBondContact O-N 3.27Å; P45-S47 VanDerWaalsContact O-N 3.07Å
48	S	29.5	Very low	30.9	Very low	78 Å²	78	99.3 Å²	99.3	55%	0.545	61%	0.612	S	S	.	*			trans	-147.7	-10.7	164.2	61.7	0	0	0	0	115	T46 S52	T46-S48 PolarHBondContact O-N 3.14Å; T46-S48 VanDerWaalsContact O-N 3.15Å; S48-S52 WeakPolarHBondContact O-CB 3.29Å; S48-S52 PolarHBondContact O-N 3.34Å; S48-S52 PolarHBondContact O-OG 2.98Å
49	S	29.8	Very low	31.9	Very low	98 Å²	98	94.7 Å²	94.7	69%	0.685	59%	0.594	S	S	*	*	H	α-helix	trans	-85.5	-32	-173.6	56.8	0	0	0	0	115.2	S52	S49-S52 PolarHBondContact O-OG 3.43Å
50	S	32.2	Very low	33	Very low	86 Å²	86	94.6 Å²	94.6	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-89.9	-33.4	179.4	55.1	0	0	0	0	113.6	L54	S50-L54 PolarHBondContact O-N 3.46Å
51	S	30.3	Very low	34.1	Very low	73 Å²	73	93.1 Å²	93.1	51%	0.51	57%	0.565	S	S	.	*	H	α-helix	trans	-72.4	-33.1	176	60.4	0	0	0	0	112.6	F53 L54 S55	S51-F53 VanDerWaalsContact C-N 3.33Å; S51-F53 PolarHBondContact O-N 3.41Å; S51-L54 WeakPolarHBondContact O-CB 3.35Å; S51-L54 PolarHBondContact O-N 3.35Å; S51-S55 PolarHBondContact O-N 3.12Å
52	S	34.3	Very low	35.1	Very low	64 Å²	64	92.7 Å²	92.7	45%	0.448	55%	0.55	S	S	.	.	H	α-helix	trans	-65.2	-35.4	177.3	58.5	0	0	0	0	112.5	S48 S49 S56	S48-S52 WeakPolarHBondContact O-CB 3.29Å; S48-S52 PolarHBondContact O-N 3.34Å; S48-S52 PolarHBondContact O-OG 2.98Å; S49-S52 PolarHBondContact O-OG 3.43Å; S52-S56 VanDerWaalsContact O-CB 3.23Å; S52-S56 WeakPolarHBondContact O-CB 3.13Å; S52-S56 PolarHBondContact O-N 3.42Å
53	F	36	Very low	36.4	Very low	151 Å²	151	91.7 Å²	91.7	66%	0.662	54%	0.538	S	S	*	.	H	α-helix	trans	-67.7	-38.3	174.5	-117.9	-84	0	0	0	112.5	S51 T57	S51-F53 VanDerWaalsContact C-N 3.33Å; S51-F53 PolarHBondContact O-N 3.41Å; F53-T57 WeakPolarHBondContact O-CB 3.26Å; F53-T57 PolarHBondContact O-N 3.45Å; F53-T57 PolarHBondContact O-OG1 2.81Å
54	L	33.9	Very low	37.6	Very low	82 Å²	82	91.6 Å²	91.6	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-51.2	176.3	-146.2	104.9	0	0	0	110.4	F23 S50 S51 T57 I58	F23-L54 HydrophobicContact CE2-CD1 3.99Å; F23-L54 HydrophobicContact CZ-CD1 4.14Å; S50-L54 PolarHBondContact O-N 3.46Å; S51-L54 WeakPolarHBondContact O-CB 3.35Å; S51-L54 PolarHBondContact O-N 3.35Å; L54-T57 PolarHBondContact O-N 3.02Å; L54-I58 HydrophobicContact CD2-CD1 3.71Å; L54-I58 HydrophobicContact CG-CD1 3.88Å; L54-I58 VanDerWaalsContact O-CB 3.28Å; L54-I58 WeakPolarHBondContact O-CB 3.13Å; L54-I58 WeakPolarHBondContact O-CD1 3.39Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.03Å
55	S	37.6	Very low	38.9	Very low	80 Å²	80	87.2 Å²	87.2	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-61.5	-45.1	178.1	178.9	0	0	0	0	112.1	S51 T57 S59	S51-S55 PolarHBondContact O-N 3.12Å; S55-T57 PolarHBondContact O-N 3.24Å; S55-S59 WeakPolarHBondContact O-CA 3.5Å; S55-S59 WeakPolarHBondContact O-CB 3.5Å; S55-S59 PolarHBondContact O-N 3.15Å
56	S	44.6	Very low	40.1	Very low	50 Å²	50	88.1 Å²	88.1	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-42.1	179.1	-175.7	0	0	0	0	112.7	S52 K60	S52-S56 VanDerWaalsContact O-CB 3.23Å; S52-S56 WeakPolarHBondContact O-CB 3.13Å; S52-S56 PolarHBondContact O-N 3.42Å; S56-K60 WeakPolarHBondContact O-CB 3.19Å; S56-K60 WeakPolarHBondContact O-CD 3.27Å; S56-K60 WeakPolarHBondContact O-CG 3.4Å; S56-K60 PolarHBondContact O-N 3.43Å; S56-K60 PolarHBondContact OG-NZ 3.15Å
57	T	46	Very low	41.3	Very low	20 Å²	20	85.7 Å²	85.7	12%	0.123	48%	0.483	C	S	.	.	H	α-helix	trans	-74.3	-42.3	-177.4	-50.2	0	0	0	0	111	F53 L54 S55 K60 I61	F53-T57 WeakPolarHBondContact O-CB 3.26Å; F53-T57 PolarHBondContact O-N 3.45Å; F53-T57 PolarHBondContact O-OG1 2.81Å; L54-T57 PolarHBondContact O-N 3.02Å; S55-T57 PolarHBondContact O-N 3.24Å; T57-K60 PolarHBondContact O-N 3.28Å; T57-I61 HydrophobicContact CG2-CD1 4.14Å; T57-I61 VanDerWaalsContact O-CG1 3.28Å; T57-I61 WeakPolarHBondContact O-CG1 3.31Å; T57-I61 PolarHBondContact O-N 3.11Å
58	I	43.4	Very low	42.3	Very low	58 Å²	58	82.2 Å²	82.2	30%	0.297	46%	0.456	S	S	.	.	H	α-helix	trans	-63.9	-46.1	174.8	-67.6	169.8	0	0	0	110	L54 K60 I61 F62	L54-I58 HydrophobicContact CD2-CD1 3.71Å; L54-I58 HydrophobicContact CG-CD1 3.88Å; L54-I58 VanDerWaalsContact O-CB 3.28Å; L54-I58 WeakPolarHBondContact O-CB 3.13Å; L54-I58 WeakPolarHBondContact O-CD1 3.39Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.03Å; I58-K60 PolarHBondContact O-N 2.99Å; I58-I61 PolarHBondContact O-N 3.19Å; I58-F62 HydrophobicContact CG2-CD2 3.65Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-F62 WeakPolarHBondContact O-CB 3.47Å; I58-F62 PolarHBondContact O-N 3.24Å
59	S	45.9	Very low	43.1	Very low	62 Å²	62	82.7 Å²	82.7	43%	0.434	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-44.3	175.7	178.8	0	0	0	0	111.5	S55 I61 F62 F63	S55-S59 WeakPolarHBondContact O-CA 3.5Å; S55-S59 WeakPolarHBondContact O-CB 3.5Å; S55-S59 PolarHBondContact O-N 3.15Å; S59-I61 PolarHBondContact O-N 3.08Å; S59-F62 PolarHBondContact O-N 3.05Å; S59-F63 VanDerWaalsContact O-CB 3.29Å; S59-F63 WeakPolarHBondContact O-CB 3.49Å; S59-F63 PolarHBondContact O-N 3.14Å
60	K	50.4	Low	43.8	Very low	111 Å²	111	87.3 Å²	87.3	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-40.9	175.6	-78.1	168.6	-178.8	164.7	0	112.9	S56 T57 I58 K64	S56-K60 WeakPolarHBondContact O-CB 3.19Å; S56-K60 WeakPolarHBondContact O-CD 3.27Å; S56-K60 WeakPolarHBondContact O-CG 3.4Å; S56-K60 PolarHBondContact O-N 3.43Å; S56-K60 PolarHBondContact OG-NZ 3.15Å; T57-K60 PolarHBondContact O-N 3.28Å; I58-K60 PolarHBondContact O-N 2.99Å; K60-K64 VanDerWaalsContact O-CB 3.32Å; K60-K64 WeakPolarHBondContact O-CB 3.22Å; K60-K64 PolarHBondContact O-N 3.32Å; K60-K64 VanDerWaalsContact O-N 3.08Å
61	I	49.2	Very low	44.5	Very low	43 Å²	43	86.7 Å²	86.7	22%	0.221	45%	0.45	C	S	.	.	H	α-helix	trans	-65.6	-47.1	176.1	-70.2	166.9	0	0	0	109.8	T57 I58 S59 K64 L65	T57-I61 HydrophobicContact CG2-CD1 4.14Å; T57-I61 VanDerWaalsContact O-CG1 3.28Å; T57-I61 WeakPolarHBondContact O-CG1 3.31Å; T57-I61 PolarHBondContact O-N 3.11Å; I58-I61 PolarHBondContact O-N 3.19Å; S59-I61 PolarHBondContact O-N 3.08Å; I61-K64 PolarHBondContact O-N 3.37Å; I61-L65 HydrophobicContact CG2-CD1 3.65Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 PolarHBondContact O-N 3.45Å
62	F	46.7	Very low	45	Very low	95 Å²	95	86.1 Å²	86.1	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-48.6	175.9	-100.9	-84.6	0	0	0	112	I58 S59 K64 L65 F66 F208	I58-F62 HydrophobicContact CG2-CD2 3.65Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-F62 WeakPolarHBondContact O-CB 3.47Å; I58-F62 PolarHBondContact O-N 3.24Å; S59-F62 PolarHBondContact O-N 3.05Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 3.45Å; F62-L65 PolarHBondContact O-N 2.9Å; F62-F66 VanDerWaalsContact O-CB 3.22Å; F62-F66 WeakPolarHBondContact O-CB 3.24Å; F62-F66 PolarHBondContact O-N 3.46Å; F62-F208 HydrophobicContact CE2-CZ 4.13Å
63	F	52.5	Low	45.3	Very low	161 Å²	161	87.8 Å²	87.8	71%	0.706	45%	0.448	S	S	*	.	H	α-helix	trans	-62.5	-39	-178.6	-146	-83.2	0	0	0	111.3	S59 S67	S59-F63 VanDerWaalsContact O-CB 3.29Å; S59-F63 WeakPolarHBondContact O-CB 3.49Å; S59-F63 PolarHBondContact O-N 3.14Å; F63-S67 VanDerWaalsContact O-CB 3.22Å; F63-S67 WeakPolarHBondContact O-CB 3.24Å; F63-S67 PolarHBondContact O-N 2.81Å
64	K	50.4	Low	45.9	Very low	88 Å²	88	91.2 Å²	91.2	38%	0.383	46%	0.457	S	S	.	.	H	α-helix	trans	-70.6	-43.1	176.8	-159.5	94.5	-179.8	-170.9	0	111.5	D12 K60 I61 F62 S67 L68	D12-K64 WeakPolarHBondContact OD1-CE 3.5Å; D12-K64 IonicContact OD1-NZ 2.75Å; K60-K64 VanDerWaalsContact O-CB 3.32Å; K60-K64 WeakPolarHBondContact O-CB 3.22Å; K60-K64 PolarHBondContact O-N 3.32Å; K60-K64 VanDerWaalsContact O-N 3.08Å; I61-K64 PolarHBondContact O-N 3.37Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 3.45Å; K64-S67 WeakPolarHBondContact O-CB 3.35Å; K64-S67 PolarHBondContact O-N 3.06Å; K64-L68 WeakPolarHBondContact O-CB 3.42Å; K64-L68 PolarHBondContact O-N 2.88Å
65	L	49.6	Very low	46.1	Very low	74 Å²	74	93.9 Å²	93.9	39%	0.387	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-42.8	173.8	-94.8	149	0	0	0	111.9	I61 F62 L68 L69	I61-L65 HydrophobicContact CG2-CD1 3.65Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 PolarHBondContact O-N 3.45Å; F62-L65 PolarHBondContact O-N 2.9Å; L65-L68 WeakPolarHBondContact O-CB 3.49Å; L65-L68 PolarHBondContact O-N 3.01Å; L65-L69 PolarHBondContact O-N 2.79Å
66	F	47.9	Very low	46.3	Very low	140 Å²	140	92.7 Å²	92.7	61%	0.614	45%	0.453	S	S	*	.	H	α-helix	trans	-67.9	-39.2	177.8	-150.5	-86.6	0	0	0	110.9	F62 L68 L69 R70	F62-F66 VanDerWaalsContact O-CB 3.22Å; F62-F66 WeakPolarHBondContact O-CB 3.24Å; F62-F66 PolarHBondContact O-N 3.46Å; F66-L68 VanDerWaalsContact C-N 3.32Å; F66-L68 PolarHBondContact O-N 3.37Å; F66-L69 PolarHBondContact O-N 3.46Å; F66-R70 VanDerWaalsContact O-CB 3.28Å; F66-R70 WeakPolarHBondContact O-CB 3.42Å; F66-R70 PolarHBondContact O-N 3.12Å
67	S	50.9	Low	46.1	Very low	74 Å²	74	92.3 Å²	92.3	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-60.4	-41.6	170.6	-179.9	0	0	0	0	111.8	F63 K64 R70 S71	F63-S67 VanDerWaalsContact O-CB 3.22Å; F63-S67 WeakPolarHBondContact O-CB 3.24Å; F63-S67 PolarHBondContact O-N 2.81Å; K64-S67 WeakPolarHBondContact O-CB 3.35Å; K64-S67 PolarHBondContact O-N 3.06Å; S67-R70 PolarHBondContact O-N 3.07Å; S67-S71 WeakPolarHBondContact O-CB 3.41Å; S67-S71 PolarHBondContact O-N 2.87Å
68	L	48.3	Very low	45.9	Very low	38 Å²	38	97.5 Å²	97.5	20%	0.199	47%	0.472	C	S	.	.	H	α-helix	trans	-66.6	-44.1	177.1	-123.5	125.8	0	0	0	110.9	L9 D12 K64 L65 F66 S71 L72	L9-L68 HydrophobicContact CD1-CD2 3.97Å; D12-L68 HydrophobicContact CB-CD1 4.44Å; K64-L68 WeakPolarHBondContact O-CB 3.42Å; K64-L68 PolarHBondContact O-N 2.88Å; L65-L68 WeakPolarHBondContact O-CB 3.49Å; L65-L68 PolarHBondContact O-N 3.01Å; F66-L68 VanDerWaalsContact C-N 3.32Å; F66-L68 PolarHBondContact O-N 3.37Å; L68-S71 WeakPolarHBondContact O-CB 3.49Å; L68-S71 PolarHBondContact O-N 2.81Å; L68-L72 HydrophobicContact CD2-CD1 4.01Å; L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 WeakPolarHBondContact O-CD1 3.2Å; L68-L72 PolarHBondContact O-N 3.01Å
69	L	45.5	Very low	45.8	Very low	89 Å²	89	98.9 Å²	98.9	47%	0.466	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-45.4	175.1	-125.2	94.4	0	0	0	110.9	L65 F66 S71 L72 V73	L65-L69 PolarHBondContact O-N 2.79Å; F66-L69 PolarHBondContact O-N 3.46Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.2Å; L69-L72 CarbonylContact O-C 3.35Å; L69-L72 PolarHBondContact O-N 3.34Å; L69-V73 VanDerWaalsContact O-CG2 3.27Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.34Å
70	R	43.6	Very low	45.6	Very low	194 Å²	194	97.3 Å²	97.3	73%	0.732	47%	0.467	S	S	*	.	H	α-helix	trans	-64.8	-33.8	179.3	-152.8	178.8	-165.3	-170.5	4.4	112.1	F66 S67	F66-R70 VanDerWaalsContact O-CB 3.28Å; F66-R70 WeakPolarHBondContact O-CB 3.42Å; F66-R70 PolarHBondContact O-N 3.12Å; S67-R70 PolarHBondContact O-N 3.07Å
71	S	46.9	Very low	45.2	Very low	73 Å²	73	96 Å²	96	51%	0.51	47%	0.469	S	S	.	.	H	α-helix	trans	-67.9	-37.4	170.9	174.3	0	0	0	0	112.3	S67 L68 L69	S67-S71 WeakPolarHBondContact O-CB 3.41Å; S67-S71 PolarHBondContact O-N 2.87Å; L68-S71 WeakPolarHBondContact O-CB 3.49Å; L68-S71 PolarHBondContact O-N 2.81Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.2Å
72	L	40.8	Very low	45.1	Very low	62 Å²	62	99.6 Å²	99.6	33%	0.325	49%	0.489	S	S	.	.	H	α-helix	trans	-77.9	-35.9	-178.2	-89.5	152.3	0	0	0	112.7	L68 L69 R74 F75 V80	L68-L72 HydrophobicContact CD2-CD1 4.01Å; L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 WeakPolarHBondContact O-CD1 3.2Å; L68-L72 PolarHBondContact O-N 3.01Å; L69-L72 CarbonylContact O-C 3.35Å; L69-L72 PolarHBondContact O-N 3.34Å; L72-R74 PolarHBondContact O-N 2.84Å; L72-R74 VanDerWaalsContact O-N 3.15Å; L72-F75 WeakPolarHBondContact O-CA 3.39Å; L72-F75 WeakPolarHBondContact O-CB 3.48Å; L72-F75 PolarHBondContact O-N 3.2Å; L72-V80 HydrophobicContact CB-CG2 4.39Å; L72-V80 HydrophobicContact CD2-CG2 4.29Å; L72-V80 VanDerWaalsContact O-CG2 3.23Å; L72-V80 WeakPolarHBondContact O-CG2 3.36Å
73	V	41.4	Very low	44.9	Very low	99 Å²	99	101.5 Å²	101.5	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-20.3	177	171.2	0	0	0	0	112.2	L69 F75	L69-V73 VanDerWaalsContact O-CG2 3.27Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.34Å; V73-F75 PolarHBondContact O-N 3.32Å
74	R	48.2	Very low	44.6	Very low	223 Å²	223	98 Å²	98	84%	0.842	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.2	169.8	-80.1	-172.8	174.7	178.2	-1.9	114	L72	L72-R74 PolarHBondContact O-N 2.84Å; L72-R74 VanDerWaalsContact O-N 3.15Å
75	F	38.3	Very low	44.3	Very low	138 Å²	138	95.4 Å²	95.4	61%	0.605	48%	0.48	S	S	*	.	S	Bend	trans	-113.3	103.1	-178.9	-83.3	-85.2	0	0	0	110.9	L72 V73 V80	L72-F75 WeakPolarHBondContact O-CA 3.39Å; L72-F75 WeakPolarHBondContact O-CB 3.48Å; L72-F75 PolarHBondContact O-N 3.2Å; V73-F75 PolarHBondContact O-N 3.32Å; F75-V80 WeakPolarHBondContact O-CG2 3.25Å
76	N	42.8	Very low	44.2	Very low	55 Å²	55	98.5 Å²	98.5	29%	0.294	49%	0.49	S	S	.	.			trans	35.6	99.1	148	-150.2	14.6	0	0	0	116.8	I78 L79 V80 P225	N76-I78 VanDerWaalsContact C-N 3.27Å; N76-I78 PolarHBondContact O-N 3.43Å; N76-L79 PolarHBondContact O-N 3.49Å; N76-V80 PolarHBondContact O-N 3.2Å; N76-P225 HydrophobicContact CB-CB 4Å; N76-P225 WeakPolarHBondContact ND2-CB 3.4Å; N76-P225 WeakPolarHBondContact ND2-CG 3.44Å; N76-P225 WeakPolarHBondContact OD1-CB 3.44Å; N76-P225 VanDerWaalsContact OD1-CD 3.24Å; N76-P225 WeakPolarHBondContact OD1-CD 3.47Å; N76-P225 WeakPolarHBondContact OD1-CG 3.38Å
77	D	40.2	Very low	44.1	Very low	41 Å²	41	95.7 Å²	95.7	22%	0.219	48%	0.476	C	S	.	.	H	α-helix	trans	-47.2	-39.8	-166.5	-68.6	-62.6	0	0	0	115.4	L79 V80 T81 N222 G223	D77-L79 PolarHBondContact O-N 2.95Å; D77-V80 PolarHBondContact O-N 3.44Å; D77-T81 PolarHBondContact O-N 3.14Å; D77-T81 PolarHBondContact O-OG1 2.99Å; D77-N222 WeakPolarHBondContact OD2-CA 3.42Å; D77-G223 PolarHBondContact OD2-N 3.48Å
78	I	42	Very low	44	Very low	129 Å²	129	95.2 Å²	95.2	66%	0.662	47%	0.47	S	S	*	.	H	α-helix	trans	-66.6	-37.6	-176.5	-59.9	172.3	0	0	0	112	N76 N82	N76-I78 VanDerWaalsContact C-N 3.27Å; N76-I78 PolarHBondContact O-N 3.43Å; I78-N82 PolarHBondContact O-N 3.04Å
79	L	41.3	Very low	44.2	Very low	88 Å²	88	98.6 Å²	98.6	46%	0.461	49%	0.487	S	S	.	.	H	α-helix	trans	-71.6	-39.8	177.5	-108.3	159.5	0	0	0	110.4	N76 D77 N82 Y83	N76-L79 PolarHBondContact O-N 3.49Å; D77-L79 PolarHBondContact O-N 2.95Å; L79-N82 PolarHBondContact O-N 2.87Å; L79-Y83 HydrophobicContact CD2-CD2 3.57Å; L79-Y83 HydrophobicContact CD2-CE2 3.45Å; L79-Y83 VanDerWaalsContact CD2-CE2 3.45Å; L79-Y83 VanDerWaalsContact O-CB 3.29Å; L79-Y83 WeakPolarHBondContact O-CB 3.2Å; L79-Y83 WeakPolarHBondContact O-CD2 3.33Å; L79-Y83 PolarHBondContact O-N 3.23Å
80	V	41.3	Very low	44.2	Very low	28 Å²	28	96.8 Å²	96.8	17%	0.17	48%	0.482	C	S	.	.	H	α-helix	trans	-62.3	-44.4	173.9	168.4	0	0	0	0	110.8	L72 F75 N76 D77 N82 Y83 L84	L72-V80 HydrophobicContact CB-CG2 4.39Å; L72-V80 HydrophobicContact CD2-CG2 4.29Å; L72-V80 VanDerWaalsContact O-CG2 3.23Å; L72-V80 WeakPolarHBondContact O-CG2 3.36Å; F75-V80 WeakPolarHBondContact O-CG2 3.25Å; N76-V80 PolarHBondContact O-N 3.2Å; D77-V80 PolarHBondContact O-N 3.44Å; V80-N82 PolarHBondContact O-N 2.82Å; V80-Y83 PolarHBondContact O-N 2.97Å; V80-L84 WeakPolarHBondContact O-CA 3.43Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 3.07Å
81	T	42.2	Very low	44.4	Very low	85 Å²	85	91.4 Å²	91.4	52%	0.521	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-43.5	180	-41.9	0	0	0	0	111.8	D77 G85	D77-T81 PolarHBondContact O-N 3.14Å; D77-T81 PolarHBondContact O-OG1 2.99Å; T81-G85 PolarHBondContact O-N 3.04Å
82	N	46	Very low	44.5	Very low	118 Å²	118	93.9 Å²	93.9	63%	0.631	47%	0.468	S	S	*	.	H	α-helix	trans	-69.4	-41	177.3	-78.2	-21	0	0	0	112.5	I78 L79 V80 G85 F86	I78-N82 PolarHBondContact O-N 3.04Å; L79-N82 PolarHBondContact O-N 2.87Å; V80-N82 PolarHBondContact O-N 2.82Å; N82-G85 PolarHBondContact O-N 2.95Å; N82-F86 PolarHBondContact O-N 3.01Å
83	Y	42.7	Very low	45	Very low	135 Å²	135	94.3 Å²	94.3	53%	0.529	48%	0.475	S	S	.	.	H	α-helix	trans	-69.2	-39.9	176.7	-96.6	-94	0	0	0	112.4	L79 V80 G85 F86 Y87	L79-Y83 HydrophobicContact CD2-CD2 3.57Å; L79-Y83 HydrophobicContact CD2-CE2 3.45Å; L79-Y83 VanDerWaalsContact CD2-CE2 3.45Å; L79-Y83 VanDerWaalsContact O-CB 3.29Å; L79-Y83 WeakPolarHBondContact O-CB 3.2Å; L79-Y83 WeakPolarHBondContact O-CD2 3.33Å; L79-Y83 PolarHBondContact O-N 3.23Å; V80-Y83 PolarHBondContact O-N 2.97Å; Y83-G85 VanDerWaalsContact C-N 3.33Å; Y83-F86 PolarHBondContact O-N 3.3Å; Y83-Y87 WeakPolarHBondContact O-CB 3.5Å; Y83-Y87 PolarHBondContact O-N 2.74Å
84	L	45.3	Very low	45.2	Very low	88 Å²	88	95 Å²	95	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-65.4	-40.2	175	-156	99.7	0	0	0	109.8	V80 F86 Y87 V88	V80-L84 WeakPolarHBondContact O-CA 3.43Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 3.07Å; L84-F86 PolarHBondContact O-N 2.93Å; L84-Y87 PolarHBondContact O-N 2.88Å; L84-V88 WeakPolarHBondContact O-CB 3.25Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.03Å; L84-V88 PolarHBondContact O-N 3.35Å
85	G	44.9	Very low	45.2	Very low	32 Å²	32	88 Å²	88	33%	0.33	45%	0.454	S	S	.	.	H	α-helix	trans	-55.7	-49.2	169.9	0	0	0	0	0	112	T81 N82 Y83 Y87 V88 I89	T81-G85 PolarHBondContact O-N 3.04Å; N82-G85 PolarHBondContact O-N 2.95Å; Y83-G85 VanDerWaalsContact C-N 3.33Å; G85-Y87 VanDerWaalsContact C-N 3.32Å; G85-Y87 PolarHBondContact O-N 3.18Å; G85-V88 PolarHBondContact O-N 3.04Å; G85-I89 WeakPolarHBondContact O-CB 3.49Å; G85-I89 WeakPolarHBondContact O-CD1 3.4Å; G85-I89 WeakPolarHBondContact O-CG1 3.42Å; G85-I89 PolarHBondContact O-N 3.33Å
86	F	48.6	Very low	45.7	Very low	139 Å²	139	90 Å²	90	61%	0.61	46%	0.457	S	S	*	.	H	α-helix	trans	-62.1	-38.3	176.2	-161.5	-91.6	0	0	0	112.4	N82 Y83 L84 I89 C90	N82-F86 PolarHBondContact O-N 3.01Å; Y83-F86 PolarHBondContact O-N 3.3Å; L84-F86 PolarHBondContact O-N 2.93Å; F86-I89 PolarHBondContact O-N 3.37Å; F86-C90 VanDerWaalsContact CE1-SG 3.58Å; F86-C90 WeakPolarHBondContact O-CB 3.38Å; F86-C90 PolarHBondContact O-N 3.02Å; F86-C90 PolarHBondContact O-SG 3.01Å
87	Y	44.2	Very low	45.9	Very low	82 Å²	82	92.2 Å²	92.2	32%	0.322	47%	0.469	S	S	.	.	H	α-helix	trans	-69.2	-42.8	178.4	-144.3	-93.1	0	0	0	112	Y83 L84 G85 I89 C90 I91	Y83-Y87 WeakPolarHBondContact O-CB 3.5Å; Y83-Y87 PolarHBondContact O-N 2.74Å; L84-Y87 PolarHBondContact O-N 2.88Å; G85-Y87 VanDerWaalsContact C-N 3.32Å; G85-Y87 PolarHBondContact O-N 3.18Å; Y87-I89 VanDerWaalsContact C-N 3.3Å; Y87-I89 PolarHBondContact O-N 3.44Å; Y87-C90 PolarHBondContact O-N 3.03Å; Y87-I91 HydrophobicContact CD1-CD1 3.63Å; Y87-I91 HydrophobicContact CD1-CG1 4.15Å; Y87-I91 HydrophobicContact CE1-CD1 3.83Å; Y87-I91 HydrophobicContact CE1-CG1 4.32Å; Y87-I91 WeakPolarHBondContact O-CG1 3.34Å; Y87-I91 PolarHBondContact O-N 3.41Å
88	V	48.8	Very low	46	Very low	64 Å²	64	94.4 Å²	94.4	39%	0.388	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-39.6	173.3	170.6	0	0	0	0	110.3	L84 G85 K92	L84-V88 WeakPolarHBondContact O-CB 3.25Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.03Å; L84-V88 PolarHBondContact O-N 3.35Å; G85-V88 PolarHBondContact O-N 3.04Å; V88-K92 HydrophobicContact CG1-CD 4.21Å; V88-K92 HydrophobicContact CG1-CG 4.48Å; V88-K92 VanDerWaalsContact O-CB 3.29Å; V88-K92 WeakPolarHBondContact O-CB 3.39Å; V88-K92 VanDerWaalsContact O-CG 3.31Å; V88-K92 WeakPolarHBondContact O-CG 3.1Å; V88-K92 PolarHBondContact O-N 3.23Å
89	I	53.2	Low	46.2	Very low	109 Å²	109	93.7 Å²	93.7	56%	0.559	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-45.9	172.9	-68.9	163.9	0	0	0	110.5	G85 F86 Y87 K92 C93	G85-I89 WeakPolarHBondContact O-CB 3.49Å; G85-I89 WeakPolarHBondContact O-CD1 3.4Å; G85-I89 WeakPolarHBondContact O-CG1 3.42Å; G85-I89 PolarHBondContact O-N 3.33Å; F86-I89 PolarHBondContact O-N 3.37Å; Y87-I89 VanDerWaalsContact C-N 3.3Å; Y87-I89 PolarHBondContact O-N 3.44Å; I89-K92 PolarHBondContact O-N 2.86Å; I89-C93 VanDerWaalsContact O-CB 3.27Å; I89-C93 WeakPolarHBondContact O-CB 3.36Å; I89-C93 PolarHBondContact O-N 2.9Å
90	C	46	Very low	46.5	Very low	51 Å²	51	93.8 Å²	93.8	35%	0.345	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-44.4	178	-73.7	0	0	0	0	112.5	F86 Y87 C93 L94	F86-C90 VanDerWaalsContact CE1-SG 3.58Å; F86-C90 WeakPolarHBondContact O-CB 3.38Å; F86-C90 PolarHBondContact O-N 3.02Å; F86-C90 PolarHBondContact O-SG 3.01Å; Y87-C90 PolarHBondContact O-N 3.03Å; C90-C93 PolarHBondContact O-N 3.15Å; C90-L94 WeakPolarHBondContact O-CB 3.07Å; C90-L94 WeakPolarHBondContact O-CG 3.48Å; C90-L94 PolarHBondContact O-N 3.29Å
91	I	46.2	Very low	46.5	Very low	80 Å²	80	101.7 Å²	101.7	41%	0.41	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-45.3	176	-69.9	174	0	0	0	110.4	Y87 C93 L94 L95	Y87-I91 HydrophobicContact CD1-CD1 3.63Å; Y87-I91 HydrophobicContact CD1-CG1 4.15Å; Y87-I91 HydrophobicContact CE1-CD1 3.83Å; Y87-I91 HydrophobicContact CE1-CG1 4.32Å; Y87-I91 WeakPolarHBondContact O-CG1 3.34Å; Y87-I91 PolarHBondContact O-N 3.41Å; I91-C93 VanDerWaalsContact C-N 3.28Å; I91-C93 PolarHBondContact O-N 2.84Å; I91-L94 PolarHBondContact O-N 3.12Å; I91-L95 HydrophobicContact CG2-CD1 3.82Å; I91-L95 WeakPolarHBondContact O-CB 3.5Å; I91-L95 PolarHBondContact O-N 3.39Å
92	K	49.3	Very low	46.3	Very low	126 Å²	126	103.8 Å²	103.8	55%	0.548	51%	0.509	S	S	.	.	H	α-helix	trans	-58.8	-39.9	173.4	-79.8	-179.1	177.4	179.3	0	111.5	V88 I89 R96	V88-K92 HydrophobicContact CG1-CD 4.21Å; V88-K92 HydrophobicContact CG1-CG 4.48Å; V88-K92 VanDerWaalsContact O-CB 3.29Å; V88-K92 WeakPolarHBondContact O-CB 3.39Å; V88-K92 VanDerWaalsContact O-CG 3.31Å; V88-K92 WeakPolarHBondContact O-CG 3.1Å; V88-K92 PolarHBondContact O-N 3.23Å; I89-K92 PolarHBondContact O-N 2.86Å; K92-R96 VanDerWaalsContact O-CB 3.26Å; K92-R96 WeakPolarHBondContact O-CB 3.45Å; K92-R96 PolarHBondContact O-N 3.39Å
93	C	51.8	Low	46	Very low	70 Å²	70	107 Å²	107	47%	0.473	51%	0.512	S	S	.	.	H	α-helix	trans	-69	-43.1	179.6	-147.8	0	0	0	0	111.7	I89 C90 I91 R96 L97	I89-C93 VanDerWaalsContact O-CB 3.27Å; I89-C93 WeakPolarHBondContact O-CB 3.36Å; I89-C93 PolarHBondContact O-N 2.9Å; C90-C93 PolarHBondContact O-N 3.15Å; I91-C93 VanDerWaalsContact C-N 3.28Å; I91-C93 PolarHBondContact O-N 2.84Å; C93-R96 PolarHBondContact O-N 3.25Å; C93-L97 WeakPolarHBondContact O-CB 3.5Å; C93-L97 WeakPolarHBondContact O-CG 3.38Å; C93-L97 PolarHBondContact O-N 2.66Å
94	L	46.3	Very low	45.8	Very low	114 Å²	114	104 Å²	104	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-44.5	173.5	-80.4	164.2	0	0	0	111.9	C90 I91 L97 C98	C90-L94 WeakPolarHBondContact O-CB 3.07Å; C90-L94 WeakPolarHBondContact O-CG 3.48Å; C90-L94 PolarHBondContact O-N 3.29Å; I91-L94 PolarHBondContact O-N 3.12Å; L94-L97 PolarHBondContact O-N 3.5Å; L94-C98 WeakPolarHBondContact O-CB 3.48Å; L94-C98 PolarHBondContact O-N 2.95Å
95	L	48.5	Very low	45.4	Very low	76 Å²	76	105.2 Å²	105.2	40%	0.398	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.3	-84.5	161.8	0	0	0	111.1	I91 L97 C98 L99	I91-L95 HydrophobicContact CG2-CD1 3.82Å; I91-L95 WeakPolarHBondContact O-CB 3.5Å; I91-L95 PolarHBondContact O-N 3.39Å; L95-L97 PolarHBondContact O-N 2.87Å; L95-C98 PolarHBondContact O-N 3.44Å; L95-L99 WeakPolarHBondContact O-CB 3.34Å; L95-L99 PolarHBondContact O-N 3.15Å
96	R	47.1	Very low	44.7	Very low	180 Å²	180	108.2 Å²	108.2	68%	0.679	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-42.3	176.2	-168.1	179.2	-175.5	-179.1	2	111.7	K92 C93 L99 I100	K92-R96 VanDerWaalsContact O-CB 3.26Å; K92-R96 WeakPolarHBondContact O-CB 3.45Å; K92-R96 PolarHBondContact O-N 3.39Å; C93-R96 PolarHBondContact O-N 3.25Å; R96-L99 PolarHBondContact O-N 3.02Å; R96-I100 HydrophobicContact CG-CD1 3.99Å; R96-I100 WeakPolarHBondContact O-CB 3.45Å; R96-I100 WeakPolarHBondContact O-CG1 3.46Å; R96-I100 PolarHBondContact O-N 3.38Å
97	L	47.4	Very low	44	Very low	102 Å²	102	106.4 Å²	106.4	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-42	175.2	-84.1	160	0	0	0	112.3	C93 L94 L95 I100 R101	C93-L97 WeakPolarHBondContact O-CB 3.5Å; C93-L97 WeakPolarHBondContact O-CG 3.38Å; C93-L97 PolarHBondContact O-N 2.66Å; L94-L97 PolarHBondContact O-N 3.5Å; L95-L97 PolarHBondContact O-N 2.87Å; L97-I100 PolarHBondContact O-N 3.46Å; L97-R101 WeakPolarHBondContact O-CB 3.16Å; L97-R101 PolarHBondContact O-N 3.04Å
98	C	43.3	Very low	43.3	Very low	87 Å²	87	107.1 Å²	107.1	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-63.3	-44.3	173.5	-79.9	0	0	0	0	111.6	L94 L95 R101 Y102	L94-C98 WeakPolarHBondContact O-CB 3.48Å; L94-C98 PolarHBondContact O-N 2.95Å; L95-C98 PolarHBondContact O-N 3.44Å; C98-R101 PolarHBondContact O-N 3.44Å; C98-Y102 VanDerWaalsContact O-CB 3.3Å; C98-Y102 WeakPolarHBondContact O-CB 3.24Å; C98-Y102 PolarHBondContact O-N 3.25Å
99	L	46.2	Very low	42.4	Very low	113 Å²	113	112 Å²	112	59%	0.592	55%	0.547	S	S	*	.	H	α-helix	trans	-64.3	-41.2	176.6	-114.1	144.8	0	0	0	112	L95 R96 Y102 R103	L95-L99 WeakPolarHBondContact O-CB 3.34Å; L95-L99 PolarHBondContact O-N 3.15Å; R96-L99 PolarHBondContact O-N 3.02Å; L99-Y102 PolarHBondContact O-N 3.36Å; L99-R103 VanDerWaalsContact O-CB 3.28Å; L99-R103 WeakPolarHBondContact O-CB 3.12Å; L99-R103 PolarHBondContact O-N 2.91Å
100	I	46.7	Very low	41.4	Very low	90 Å²	90	112.5 Å²	112.5	46%	0.462	55%	0.55	S	S	.	*	H	α-helix	trans	-63.1	-51.4	174.4	-70.7	164.6	0	0	0	109.5	R96 L97 Y102 R103 T104	R96-I100 HydrophobicContact CG-CD1 3.99Å; R96-I100 WeakPolarHBondContact O-CB 3.45Å; R96-I100 WeakPolarHBondContact O-CG1 3.46Å; R96-I100 PolarHBondContact O-N 3.38Å; L97-I100 PolarHBondContact O-N 3.46Å; I100-Y102 VanDerWaalsContact C-N 3.29Å; I100-Y102 PolarHBondContact O-N 2.95Å; I100-R103 CarbonylContact O-C 3.6Å; I100-R103 PolarHBondContact O-N 2.96Å; I100-R103 VanDerWaalsContact O-N 3.16Å; I100-T104 WeakPolarHBondContact O-CB 3.47Å; I100-T104 PolarHBondContact O-N 3.12Å; I100-T104 PolarHBondContact O-OG1 2.87Å
101	R	41.6	Very low	40.6	Very low	194 Å²	194	112.8 Å²	112.8	73%	0.732	55%	0.551	S	S	*	*	H	α-helix	trans	-56.9	-43.5	177.2	-92.6	-173.5	170.5	-179	-1.5	111.9	L97 C98 T104 I105	L97-R101 WeakPolarHBondContact O-CB 3.16Å; L97-R101 PolarHBondContact O-N 3.04Å; C98-R101 PolarHBondContact O-N 3.44Å; R101-T104 WeakPolarHBondContact O-CB 3.45Å; R101-T104 PolarHBondContact O-N 2.96Å; R101-I105 WeakPolarHBondContact O-CD1 3.2Å; R101-I105 VanDerWaalsContact O-CG1 3.23Å; R101-I105 WeakPolarHBondContact O-CG1 3.35Å; R101-I105 PolarHBondContact O-N 3.35Å
102	Y	38.3	Very low	39.6	Very low	129 Å²	129	118.8 Å²	118.8	51%	0.506	57%	0.568	S	S	.	*	H	α-helix	trans	-62.9	-46.1	176.3	-177.8	-100.5	0	0	0	112.2	C98 L99 I100 T104 I105 M106	C98-Y102 VanDerWaalsContact O-CB 3.3Å; C98-Y102 WeakPolarHBondContact O-CB 3.24Å; C98-Y102 PolarHBondContact O-N 3.25Å; L99-Y102 PolarHBondContact O-N 3.36Å; I100-Y102 VanDerWaalsContact C-N 3.29Å; I100-Y102 PolarHBondContact O-N 2.95Å; Y102-T104 VanDerWaalsContact C-N 3.29Å; Y102-T104 PolarHBondContact O-N 2.88Å; Y102-I105 PolarHBondContact O-N 2.85Å; Y102-M106 HydrophobicContact CD1-CG 4.44Å; Y102-M106 HydrophobicContact CE1-CE 4.38Å; Y102-M106 HydrophobicContact CE1-CG 4.02Å; Y102-M106 HydrophobicContact CE2-CE 4.36Å; Y102-M106 PolarHBondContact O-N 2.82Å; Y102-M106 WeakPolarHBondContact OH-CE 3.21Å
103	R	38.8	Very low	38.6	Very low	185 Å²	185	117 Å²	117	70%	0.698	57%	0.565	S	S	*	*	H	α-helix	trans	-62	-39.6	175.6	-153.4	178.8	-164.2	-176.6	4.8	110.8	L99 I100 I105 M106 T107	L99-R103 VanDerWaalsContact O-CB 3.28Å; L99-R103 WeakPolarHBondContact O-CB 3.12Å; L99-R103 PolarHBondContact O-N 2.91Å; I100-R103 CarbonylContact O-C 3.6Å; I100-R103 PolarHBondContact O-N 2.96Å; I100-R103 VanDerWaalsContact O-N 3.16Å; R103-I105 PolarHBondContact O-N 3.19Å; R103-M106 CarbonylContact O-C 3.59Å; R103-M106 PolarHBondContact O-N 3.43Å; R103-T107 HydrophobicContact CG-CG2 4.28Å; R103-T107 WeakPolarHBondContact O-CB 3.27Å; R103-T107 WeakPolarHBondContact O-CG2 3.44Å; R103-T107 PolarHBondContact O-N 3Å; R103-T107 PolarHBondContact O-OG1 3.3Å
104	T	39.3	Very low	37.5	Very low	72 Å²	72	122.5 Å²	122.5	44%	0.442	58%	0.577	S	S	.	*	H	α-helix	trans	-63.7	-41.2	176.9	-36.5	0	0	0	0	111.1	I100 R101 Y102 N108	I100-T104 WeakPolarHBondContact O-CB 3.47Å; I100-T104 PolarHBondContact O-N 3.12Å; I100-T104 PolarHBondContact O-OG1 2.87Å; R101-T104 WeakPolarHBondContact O-CB 3.45Å; R101-T104 PolarHBondContact O-N 2.96Å; Y102-T104 VanDerWaalsContact C-N 3.29Å; Y102-T104 PolarHBondContact O-N 2.88Å; T104-N108 VanDerWaalsContact O-CB 3.31Å; T104-N108 WeakPolarHBondContact O-CB 3.34Å; T104-N108 PolarHBondContact O-N 3.27Å
105	I	36.4	Very low	36.5	Very low	115 Å²	115	126.8 Å²	126.8	59%	0.59	59%	0.585	S	S	*	*	H	α-helix	trans	-63.9	-42.7	174.6	-68.3	161.9	0	0	0	110.4	R101 Y102 R103 V111	R101-I105 WeakPolarHBondContact O-CD1 3.2Å; R101-I105 VanDerWaalsContact O-CG1 3.23Å; R101-I105 WeakPolarHBondContact O-CG1 3.35Å; R101-I105 PolarHBondContact O-N 3.35Å; Y102-I105 PolarHBondContact O-N 2.85Å; R103-I105 PolarHBondContact O-N 3.19Å; I105-V111 WeakPolarHBondContact O-CG2 3.35Å
106	M	30.2	Very low	35.4	Very low	95 Å²	95	131.3 Å²	131.3	47%	0.468	60%	0.598	S	S	.	*	H	α-helix	trans	-73.4	-32.4	179.5	-79.7	-67.8	-161.5	0	0	114.3	Y102 R103 V111	Y102-M106 HydrophobicContact CD1-CG 4.44Å; Y102-M106 HydrophobicContact CE1-CE 4.38Å; Y102-M106 HydrophobicContact CE1-CG 4.02Å; Y102-M106 HydrophobicContact CE2-CE 4.36Å; Y102-M106 PolarHBondContact O-N 2.82Å; Y102-M106 WeakPolarHBondContact OH-CE 3.21Å; R103-M106 CarbonylContact O-C 3.59Å; R103-M106 PolarHBondContact O-N 3.43Å; M106-V111 HydrophobicContact SD-CG1 4.36Å
107	T	34.2	Very low	34.4	Very low	101 Å²	101	129.5 Å²	129.5	62%	0.62	60%	0.595	S	S	*	*	H	α-helix	trans	-92.6	-12.5	-179.7	59.6	0	0	0	0	113.2	R103 K109	R103-T107 HydrophobicContact CG-CG2 4.28Å; R103-T107 WeakPolarHBondContact O-CB 3.27Å; R103-T107 WeakPolarHBondContact O-CG2 3.44Å; R103-T107 PolarHBondContact O-N 3Å; R103-T107 PolarHBondContact O-OG1 3.3Å; T107-K109 PolarHBondContact O-N 3.39Å
108	N	29.6	Very low	33.5	Very low	96 Å²	96	132.2 Å²	132.2	51%	0.513	60%	0.603	S	S	.	*	S	Bend	trans	-58.3	132.4	172	-124	-17.1	0	0	0	108.6	T104 D110 V111	T104-N108 VanDerWaalsContact O-CB 3.31Å; T104-N108 WeakPolarHBondContact O-CB 3.34Å; T104-N108 PolarHBondContact O-N 3.27Å; N108-D110 PolarHBondContact O-N 2.99Å; N108-V111 PolarHBondContact O-N 3.21Å
109	K	30.4	Very low	32.8	Very low	168 Å²	168	134.5 Å²	134.5	73%	0.73	61%	0.609	S	S	*	*	H	α-helix	trans	-51.1	-21.9	-168.1	-77	178.3	173.3	177.6	0	114	T107 V111 R112 N113	T107-K109 PolarHBondContact O-N 3.39Å; K109-V111 VanDerWaalsContact C-N 3.33Å; K109-V111 PolarHBondContact O-N 2.83Å; K109-R112 PolarHBondContact O-N 3.37Å; K109-N113 PolarHBondContact O-N 3.25Å
110	D	31.8	Very low	31.7	Very low	118 Å²	118	134.2 Å²	134.2	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-59.6	-35.7	176.5	-59.1	-26.2	0	0	0	113.6	N108 Y114	N108-D110 PolarHBondContact O-N 2.99Å; D110-Y114 PolarHBondContact O-N 2.86Å; D110-Y114 VanDerWaalsContact O-N 3.13Å
111	V	28.8	Very low	30.7	Very low	58 Å²	58	138.5 Å²	138.5	35%	0.352	63%	0.626	S	S	.	*	H	α-helix	trans	-78.8	-30.7	177.6	-176.6	0	0	0	0	111.7	I105 M106 N108 K109 N113 Y114 R115	I105-V111 WeakPolarHBondContact O-CG2 3.35Å; M106-V111 HydrophobicContact SD-CG1 4.36Å; N108-V111 PolarHBondContact O-N 3.21Å; K109-V111 VanDerWaalsContact C-N 3.33Å; K109-V111 PolarHBondContact O-N 2.83Å; V111-N113 VanDerWaalsContact C-N 3.32Å; V111-Y114 WeakPolarHBondContact O-CB 3.22Å; V111-Y114 PolarHBondContact O-N 3.06Å; V111-Y114 VanDerWaalsContact O-N 3.16Å; V111-R115 PolarHBondContact O-N 3.25Å
112	R	25.8	Very low	29.9	Very low	205 Å²	205	139.8 Å²	139.8	77%	0.774	63%	0.631	S	S	*	*	H	α-helix	trans	-67.2	-37	173.4	-136.8	-177.1	-159.1	-168.6	5.6	110.8	K109 Y114 R115 Y116	K109-R112 PolarHBondContact O-N 3.37Å; R112-Y114 VanDerWaalsContact C-N 3.32Å; R112-R115 PolarHBondContact O-N 3.04Å; R112-Y116 PolarHBondContact O-N 3.11Å
113	N	28.8	Very low	29.3	Very low	90 Å²	90	140.1 Å²	140.1	48%	0.481	64%	0.64	S	S	.	*	H	α-helix	trans	-62.1	-40.2	170.2	-72.8	-14.4	0	0	0	111.1	K109 V111 R115 Y116 F117	K109-N113 PolarHBondContact O-N 3.25Å; V111-N113 VanDerWaalsContact C-N 3.32Å; N113-R115 VanDerWaalsContact C-N 3.33Å; N113-R115 PolarHBondContact O-N 2.84Å; N113-Y116 WeakPolarHBondContact O-CA 3.39Å; N113-Y116 WeakPolarHBondContact O-CB 3.47Å; N113-Y116 PolarHBondContact O-N 3.16Å; N113-Y116 VanDerWaalsContact O-N 3.12Å; N113-F117 VanDerWaalsContact O-CD2 3.25Å; N113-F117 WeakPolarHBondContact O-CD2 3.49Å; N113-F117 PolarHBondContact O-N 3.36Å
114	Y	27.5	Very low	28.6	Very low	185 Å²	185	139.5 Å²	139.5	73%	0.725	65%	0.645	S	S	*	*	H	α-helix	trans	-64	-34.9	175.7	-138.6	-85.9	0	0	0	113.4	D110 V111 R112 F117 K118	D110-Y114 PolarHBondContact O-N 2.86Å; D110-Y114 VanDerWaalsContact O-N 3.13Å; V111-Y114 WeakPolarHBondContact O-CB 3.22Å; V111-Y114 PolarHBondContact O-N 3.06Å; V111-Y114 VanDerWaalsContact O-N 3.16Å; R112-Y114 VanDerWaalsContact C-N 3.32Å; Y114-F117 WeakPolarHBondContact O-CB 3.43Å; Y114-F117 PolarHBondContact O-N 2.83Å; Y114-K118 PolarHBondContact O-N 3.21Å
115	R	25.3	Very low	28	Very low	203 Å²	203	143.4 Å²	143.4	77%	0.766	66%	0.662	S	S	*	*	H	α-helix	trans	-70.2	-34.8	172.2	-122.9	-175.5	-131	174.5	2.5	112.4	V111 R112 N113 F117 K118	V111-R115 PolarHBondContact O-N 3.25Å; R112-R115 PolarHBondContact O-N 3.04Å; N113-R115 VanDerWaalsContact C-N 3.33Å; N113-R115 PolarHBondContact O-N 2.84Å; R115-F117 VanDerWaalsContact C-N 3.26Å; R115-F117 PolarHBondContact O-N 2.92Å; R115-K118 PolarHBondContact O-N 3.19Å
116	Y	25.6	Very low	27.4	Very low	171 Å²	171	143.2 Å²	143.2	67%	0.671	67%	0.671	S	S	*	*	H	α-helix	trans	-63.2	-35.1	172	-127.8	-85.7	0	0	0	111.6	R112 N113 K118 N119	R112-Y116 PolarHBondContact O-N 3.11Å; N113-Y116 WeakPolarHBondContact O-CA 3.39Å; N113-Y116 WeakPolarHBondContact O-CB 3.47Å; N113-Y116 PolarHBondContact O-N 3.16Å; N113-Y116 VanDerWaalsContact O-N 3.12Å; Y116-K118 VanDerWaalsContact C-N 3.31Å; Y116-K118 PolarHBondContact O-N 3.24Å; Y116-N119 PolarHBondContact O-N 3.14Å
117	F	27.4	Very low	27.3	Very low	143 Å²	143	143.5 Å²	143.5	63%	0.627	68%	0.682	S	S	*	*	H	α-helix	trans	-67.6	-24.8	174.6	-90.3	-74.3	0	0	0	114.2	N113 Y114 R115 N119	N113-F117 VanDerWaalsContact O-CD2 3.25Å; N113-F117 WeakPolarHBondContact O-CD2 3.49Å; N113-F117 PolarHBondContact O-N 3.36Å; Y114-F117 WeakPolarHBondContact O-CB 3.43Å; Y114-F117 PolarHBondContact O-N 2.83Å; R115-F117 VanDerWaalsContact C-N 3.26Å; R115-F117 PolarHBondContact O-N 2.92Å; F117-N119 VanDerWaalsContact C-N 3.31Å; F117-N119 PolarHBondContact O-N 3.28Å
118	K	27.9	Very low	27	Very low	159 Å²	159	149.9 Å²	149.9	69%	0.691	70%	0.695	S	S	*	*	H	α-helix	trans	-70.5	-26.7	176.5	-161.1	177.7	-179.4	-175.8	0	112.7	Y114 R115 Y116	Y114-K118 PolarHBondContact O-N 3.21Å; R115-K118 PolarHBondContact O-N 3.19Å; Y116-K118 VanDerWaalsContact C-N 3.31Å; Y116-K118 PolarHBondContact O-N 3.24Å
119	N	28.2	Very low	26.9	Very low	135 Å²	135	155.4 Å²	155.4	72%	0.722	71%	0.709	S	S	*	*	H	α-helix	trans	-97.9	-15.3	-174.6	-73.4	2.8	0	0	0	114.5	Y116 F117	Y116-N119 PolarHBondContact O-N 3.14Å; F117-N119 VanDerWaalsContact C-N 3.31Å; F117-N119 PolarHBondContact O-N 3.28Å
120	N	23.8	Very low	26.8	Very low	107 Å²	107	155 Å²	155	57%	0.572	71%	0.709	S	S	*	*			trans	-112.9	81.7	177.9	-77	-18.9	0	0	0	111.1	R122	N120-R122 PolarHBondContact O-N 3.16Å
121	H	25.7	Very low	26.8	Very low	179 Å²	179	153.8 Å²	153.8	83%	0.829	72%	0.716	S	S	*	*			trans	-67.4	29	175.2	-80	-62.2	0	0	0	115.1
122	R	23.9	Very low	26.8	Very low	222 Å²	222	157.6 Å²	157.6	84%	0.838	73%	0.73	S	S	*	*			trans	-126.2	93.1	176.2	-84.9	-176.4	175.8	172.8	-0.5	110.7	N120 Q124	N120-R122 PolarHBondContact O-N 3.16Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.48Å; R122-Q124 VanDerWaalsContact O-N 3.12Å
123	I	25.3	Very low	27	Very low	135 Å²	135	155.9 Å²	155.9	69%	0.692	73%	0.728	S	S	*	*			trans	-79.6	86	164.2	-60.6	174.2	0	0	0	107.2	L125	I123-L125 HydrophobicContact CG2-CD1 3.73Å; I123-L125 HydrophobicContact CG2-CG 3.69Å; I123-L125 PolarHBondContact O-N 3.23Å
124	Q	24.2	Very low	26.9	Very low	172 Å²	172	159.7 Å²	159.7	80%	0.804	74%	0.742	S	S	*	*			trans	-80	92.1	161.4	-92.6	-179.6	-22	0	0	107.8	R122 S126	R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.48Å; R122-Q124 VanDerWaalsContact O-N 3.12Å; Q124-S126 VanDerWaalsContact C-N 3.27Å; Q124-S126 PolarHBondContact O-N 3.48Å
125	L	26.7	Very low	27	Very low	154 Å²	154	158.6 Å²	158.6	81%	0.806	74%	0.741	S	S	*	*			trans	-73.9	84.6	169.1	-85.2	154.6	0	0	0	108.9	I123 S127	I123-L125 HydrophobicContact CG2-CD1 3.73Å; I123-L125 HydrophobicContact CG2-CG 3.69Å; I123-L125 PolarHBondContact O-N 3.23Å; L125-S127 PolarHBondContact O-N 3.01Å
126	S	23.4	Very low	27.2	Very low	111 Å²	111	155.4 Å²	155.4	78%	0.776	74%	0.735	S	S	*	*			trans	-75	65.7	171.8	58.5	0	0	0	0	110.8	Q124 R128	Q124-S126 VanDerWaalsContact C-N 3.27Å; Q124-S126 PolarHBondContact O-N 3.48Å; S126-R128 PolarHBondContact O-N 3.28Å
127	S	28.5	Very low	27.4	Very low	101 Å²	101	152.5 Å²	152.5	71%	0.706	73%	0.73	S	S	*	*			trans	-74.2	82.4	169.7	-176.4	0	0	0	0	109.6	L125 R129	L125-S127 PolarHBondContact O-N 3.01Å; S127-R129 PolarHBondContact O-N 3.39Å
128	R	28.4	Very low	27.5	Very low	235 Å²	235	149.4 Å²	149.4	89%	0.887	73%	0.726	S	S	*	*			trans	-68.8	80	160.9	-82	-176.2	175.2	-179.8	-0.7	107.9	S126	S126-R128 PolarHBondContact O-N 3.28Å
129	R	27.9	Very low	27.6	Very low	212 Å²	212	151.5 Å²	151.5	80%	0.8	73%	0.73	S	S	*	*	S	Bend	trans	174.3	122	148.8	-98.3	160.5	-163	-165.3	7	112.6	S127	S127-R129 PolarHBondContact O-N 3.39Å
130	H	28.7	Very low	27.6	Very low	159 Å²	159	153.4 Å²	153.4	74%	0.736	73%	0.729	S	S	*	*			trans	81.4	115.2	155	-64.2	79.7	0	0	0	118.9	H132	H130-H132 PolarHBondContact O-N 2.84Å
131	A	31.9	Very low	27.8	Very low	94 Å²	94	156.6 Å²	156.6	78%	0.777	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	12.1	178.8	0	0	0	0	0	116.4
132	H	28.6	Very low	28	Very low	138 Å²	138	149.9 Å²	149.9	64%	0.639	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-17.7	179.6	-101.7	-82.9	0	0	0	114.1	H130 H134 K135	H130-H132 PolarHBondContact O-N 2.84Å; H132-H134 VanDerWaalsContact C-N 3.28Å; H132-H134 PolarHBondContact O-N 2.92Å; H132-K135 PolarHBondContact O-N 2.9Å
133	F	28.9	Very low	28.2	Very low	168 Å²	168	144.2 Å²	144.2	74%	0.737	70%	0.702	S	S	*	*	H	α-helix	trans	-65.2	-31.2	179.4	-133.8	-86.2	0	0	0	112.8	K135 L137	F133-K135 VanDerWaalsContact C-N 3.34Å; F133-K135 PolarHBondContact O-N 2.85Å; F133-L137 HydrophobicContact CD1-CD1 4.38Å
134	H	27.4	Very low	28.4	Very low	170 Å²	170	144.9 Å²	144.9	79%	0.787	70%	0.7	S	S	*	*	H	α-helix	trans	-69.7	-26.1	179.9	-89.9	-69.1	0	0	0	114	H132	H132-H134 VanDerWaalsContact C-N 3.28Å; H132-H134 PolarHBondContact O-N 2.92Å
135	K	29.1	Very low	28.7	Very low	162 Å²	162	141.2 Å²	141.2	70%	0.704	69%	0.689	S	S	*	*	H	α-helix	trans	-75.7	-32.9	-178.7	-120	178.5	-179.6	179.5	0	112.5	H132 F133 S138	H132-K135 PolarHBondContact O-N 2.9Å; F133-K135 VanDerWaalsContact C-N 3.34Å; F133-K135 PolarHBondContact O-N 2.85Å; K135-S138 PolarHBondContact O-OG 3.21Å
136	H	28.9	Very low	28.7	Very low	137 Å²	137	138.7 Å²	138.7	63%	0.634	68%	0.68	S	S	*	*	H	α-helix	trans	-80.3	-17.8	-176.2	-95.2	-78	0	0	0	115.1	S138 W139	H136-S138 PolarHBondContact O-N 3.43Å; H136-W139 PolarHBondContact O-N 3.11Å
137	L	30.6	Very low	29	Very low	109 Å²	109	136.2 Å²	136.2	57%	0.571	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-15.8	175.1	-109.2	118.7	0	0	0	113.6	F133 W139 Y140	F133-L137 HydrophobicContact CD1-CD1 4.38Å; L137-W139 PolarHBondContact O-N 3.08Å; L137-Y140 PolarHBondContact O-N 3.35Å
138	S	30.7	Very low	29	Very low	78 Å²	78	136.2 Å²	136.2	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-61.4	-28.7	172.6	64.4	0	0	0	0	112.7	K135 H136 Y140 K141 G142	K135-S138 PolarHBondContact O-OG 3.21Å; H136-S138 PolarHBondContact O-N 3.43Å; S138-Y140 VanDerWaalsContact C-N 3.34Å; S138-Y140 PolarHBondContact O-N 2.95Å; S138-K141 WeakPolarHBondContact O-CB 3.36Å; S138-K141 PolarHBondContact O-N 2.78Å; S138-K141 VanDerWaalsContact O-N 3.16Å; S138-G142 PolarHBondContact O-N 2.94Å
139	W	29.3	Very low	29	Very low	204 Å²	204	133.5 Å²	133.5	77%	0.773	65%	0.652	S	S	*	*	H	α-helix	trans	-64	-35.2	174.9	-104.4	31.3	0	0	0	113.2	H136 L137 K141 G142 I143	H136-W139 PolarHBondContact O-N 3.11Å; L137-W139 PolarHBondContact O-N 3.08Å; W139-K141 VanDerWaalsContact C-N 3.28Å; W139-K141 PolarHBondContact O-N 2.78Å; W139-G142 PolarHBondContact O-N 3.01Å; W139-I143 PolarHBondContact O-N 3.38Å
140	Y	28.8	Very low	28.9	Very low	175 Å²	175	129.8 Å²	129.8	69%	0.686	65%	0.647	S	S	*	*	H	α-helix	trans	-70.7	-25.3	176	-94.3	-83.9	0	0	0	112.7	L137 S138 G142 I143 K144	L137-Y140 PolarHBondContact O-N 3.35Å; S138-Y140 VanDerWaalsContact C-N 3.34Å; S138-Y140 PolarHBondContact O-N 2.95Å; Y140-G142 VanDerWaalsContact C-N 3.34Å; Y140-I143 PolarHBondContact O-N 3.3Å; Y140-K144 PolarHBondContact O-N 2.89Å
141	K	28	Very low	28.6	Very low	173 Å²	173	129 Å²	129	75%	0.752	65%	0.648	S	S	*	*	H	α-helix	trans	-67.6	-34.1	173.2	-117	-175.4	178.6	-172.5	0	112.2	S138 W139 K144	S138-K141 WeakPolarHBondContact O-CB 3.36Å; S138-K141 PolarHBondContact O-N 2.78Å; S138-K141 VanDerWaalsContact O-N 3.16Å; W139-K141 VanDerWaalsContact C-N 3.28Å; W139-K141 PolarHBondContact O-N 2.78Å; K141-K144 PolarHBondContact O-N 3.45Å
142	G	28.3	Very low	28.3	Very low	38 Å²	38	130 Å²	130	39%	0.392	65%	0.649	S	S	.	*	H	α-helix	trans	-71.4	-27.5	177.4	0	0	0	0	0	114.2	S138 W139 Y140 T145	S138-G142 PolarHBondContact O-N 2.94Å; W139-G142 PolarHBondContact O-N 3.01Å; Y140-G142 VanDerWaalsContact C-N 3.34Å; G142-T145 PolarHBondContact O-OG1 2.98Å
143	I	29.4	Very low	28.1	Very low	104 Å²	104	128 Å²	128	53%	0.533	65%	0.651	S	S	.	*	H	α-helix	trans	-75	-28.4	176.1	-64	174	0	0	0	111.1	W139 Y140 T145 V146 S147	W139-I143 PolarHBondContact O-N 3.38Å; Y140-I143 PolarHBondContact O-N 3.3Å; I143-T145 VanDerWaalsContact C-N 3.31Å; I143-T145 PolarHBondContact O-N 2.86Å; I143-V146 PolarHBondContact O-N 3.31Å; I143-V146 VanDerWaalsContact O-N 3.12Å; I143-S147 PolarHBondContact O-N 2.71Å
144	K	29.1	Very low	27.9	Very low	149 Å²	149	130.5 Å²	130.5	65%	0.648	66%	0.662	S	S	*	*	H	α-helix	trans	-63.1	-37.7	177.1	-159.4	173.9	-177	-179.2	0	112.1	Y140 K141 V146 S147 D148	Y140-K144 PolarHBondContact O-N 2.89Å; K141-K144 PolarHBondContact O-N 3.45Å; K144-V146 VanDerWaalsContact C-N 3.31Å; K144-V146 PolarHBondContact O-N 3.04Å; K144-S147 WeakPolarHBondContact O-CB 3.26Å; K144-S147 PolarHBondContact O-N 3.18Å; K144-D148 PolarHBondContact O-N 3.15Å
145	T	30.1	Very low	27.8	Very low	94 Å²	94	128 Å²	128	58%	0.577	65%	0.654	S	S	*	*	H	α-helix	trans	-69.5	-25.2	175.1	39.1	0	0	0	0	113.9	G142 I143	G142-T145 PolarHBondContact O-OG1 2.98Å; I143-T145 VanDerWaalsContact C-N 3.31Å; I143-T145 PolarHBondContact O-N 2.86Å
146	V	28	Very low	27.5	Very low	101 Å²	101	128 Å²	128	61%	0.612	66%	0.659	S	S	*	*	H	α-helix	trans	-81.4	-28.9	173.8	-178.5	0	0	0	0	111.1	I143 K144 D148	I143-V146 PolarHBondContact O-N 3.31Å; I143-V146 VanDerWaalsContact O-N 3.12Å; K144-V146 VanDerWaalsContact C-N 3.31Å; K144-V146 PolarHBondContact O-N 3.04Å; V146-D148 VanDerWaalsContact C-N 3.35Å
147	S	28.6	Very low	27.2	Very low	60 Å²	60	129 Å²	129	42%	0.42	67%	0.668	S	S	.	*	H	α-helix	trans	-67.3	-30.8	174.9	178.3	0	0	0	0	113.3	I143 K144 H149 L150	I143-S147 PolarHBondContact O-N 2.71Å; K144-S147 WeakPolarHBondContact O-CB 3.26Å; K144-S147 PolarHBondContact O-N 3.18Å; S147-H149 PolarHBondContact O-N 2.9Å; S147-L150 PolarHBondContact O-N 2.99Å; S147-L150 VanDerWaalsContact O-N 3.16Å
148	D	28.9	Very low	26.9	Very low	100 Å²	100	132.8 Å²	132.8	54%	0.535	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	-17.9	-177.9	-68.2	-23	0	0	0	112.7	K144 V146	K144-D148 PolarHBondContact O-N 3.15Å; V146-D148 VanDerWaalsContact C-N 3.35Å
149	H	27.4	Very low	26.6	Very low	179 Å²	179	137.1 Å²	137.1	83%	0.829	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-1.2	174	-94.4	-47.2	0	0	0	115	S147	S147-H149 PolarHBondContact O-N 2.9Å
150	L	25.6	Very low	26.4	Very low	134 Å²	134	131.3 Å²	131.3	70%	0.702	68%	0.675	S	S	*	*			trans	-112.2	52	177.2	-85.1	149.9	0	0	0	111.2	S147 S152	S147-L150 PolarHBondContact O-N 2.99Å; S147-L150 VanDerWaalsContact O-N 3.16Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.25Å
151	N	24.3	Very low	26.2	Very low	142 Å²	142	127.3 Å²	127.3	76%	0.759	67%	0.669	S	S	*	*			trans	-76.7	73.6	169.5	-87.2	-24.5	0	0	0	111.2
152	S	24.8	Very low	26	Very low	115 Å²	115	124 Å²	124	80%	0.804	66%	0.659	S	S	*	*			trans	-165.9	52.6	156.6	75	0	0	0	0	114.4	L150	L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.25Å
153	S	24	Very low	25.9	Very low	97 Å²	97	125.5 Å²	125.5	68%	0.678	66%	0.663	S	S	*	*	S	Bend	trans	-163.2	122.9	151	60.4	0	0	0	0	110.1	N155	S153-N155 PolarHBondContact O-N 3.49Å; S153-N155 VanDerWaalsContact O-N 3.15Å
154	K	24.3	Very low	25.6	Very low	219 Å²	219	126.4 Å²	126.4	95%	0.952	67%	0.669	S	S	*	*			trans	-34.1	109.5	-176.2	-76.9	172.6	172.2	175.3	0	113.9
155	N	26.7	Very low	25.5	Very low	117 Å²	117	124.3 Å²	124.3	63%	0.626	67%	0.669	S	S	*	*			trans	-73.9	134.8	177.9	-84.6	-32.7	0	0	0	112.2	S153 N157	S153-N155 PolarHBondContact O-N 3.49Å; S153-N155 VanDerWaalsContact O-N 3.15Å; N155-N157 PolarHBondContact O-N 3.36Å
156	M	22.9	Very low	25.3	Very low	164 Å²	164	125.7 Å²	125.7	81%	0.808	68%	0.677	S	S	*	*			trans	-60.6	114.4	157.3	-76.6	-101.3	-153.1	0	0	108.8	Y158	M156-Y158 HydrophobicContact CB-CE2 4.33Å; M156-Y158 PolarHBondContact O-N 3.32Å
157	N	22.1	Very low	25.3	Very low	156 Å²	156	128.3 Å²	128.3	83%	0.834	68%	0.682	S	S	*	*			trans	-76.1	108.4	174.9	-77.8	-17.5	0	0	0	109.9	N155 E159	N155-N157 PolarHBondContact O-N 3.36Å; N157-E159 PolarHBondContact O-N 3.38Å
158	Y	24.6	Very low	25.2	Very low	189 Å²	189	131.8 Å²	131.8	74%	0.741	70%	0.696	S	S	*	*			trans	-83.4	101.9	166	-67.9	-85.2	0	0	0	108.8	M156 T160	M156-Y158 HydrophobicContact CB-CE2 4.33Å; M156-Y158 PolarHBondContact O-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.35Å
159	E	23.4	Very low	25.2	Very low	169 Å²	169	134.3 Å²	134.3	79%	0.79	71%	0.705	S	S	*	*			trans	-78.9	107	176	-149.2	173.1	-148.9	0	0	109.4	N157 T161	N157-E159 PolarHBondContact O-N 3.38Å; E159-T161 PolarHBondContact O-N 2.97Å
160	T	25.9	Very low	25.2	Very low	82 Å²	82	130 Å²	130	50%	0.503	69%	0.694	S	S	.	*			trans	-93.1	95.5	179.4	-27.2	0	0	0	0	107.8	Y158 I162 Y184	Y158-T160 PolarHBondContact O-N 3.35Å; T160-I162 PolarHBondContact O-N 3.41Å; T160-Y184 HydrophobicContact CG2-CD1 4.2Å
161	T	23.7	Very low	25.3	Very low	92 Å²	92	130.6 Å²	130.6	56%	0.564	70%	0.696	S	S	*	*			trans	-79.9	112.7	174.9	24.9	0	0	0	0	109.6	E159	E159-T161 PolarHBondContact O-N 2.97Å
162	I	24.1	Very low	25.6	Very low	104 Å²	104	131.4 Å²	131.4	53%	0.533	70%	0.701	S	S	.	*			trans	-91	111.6	174.7	-57	169.8	0	0	0	106.6	T160	T160-I162 PolarHBondContact O-N 3.41Å
163	S	26	Very low	25.8	Very low	68 Å²	68	130.6 Å²	130.6	48%	0.476	70%	0.7	S	S	.	*			trans	-109.6	121.2	168.9	57.1	0	0	0	0	110	T165	S163-T165 PolarHBondContact O-N 3.49Å
164	D	24.3	Very low	26.1	Very low	124 Å²	124	135 Å²	135	66%	0.663	71%	0.711	S	S	*	*			trans	-80.3	90.5	173.8	-74.6	-32.8	0	0	0	108.4
165	T	27.1	Very low	26.3	Very low	104 Å²	104	129.2 Å²	129.2	64%	0.638	70%	0.697	S	S	*	*			trans	-94.3	108.1	170.1	48.2	0	0	0	0	110.2	S163 H167	S163-T165 PolarHBondContact O-N 3.49Å; T165-H167 PolarHBondContact O-N 2.94Å; T165-H167 VanDerWaalsContact O-N 3.14Å
166	V	25.7	Very low	26.3	Very low	124 Å²	124	131.6 Å²	131.6	75%	0.752	71%	0.709	S	S	*	*			trans	-69.8	101	171.4	-178.7	0	0	0	0	107.7	N168	V166-N168 WeakPolarHBondContact CG1-OD1 3.41Å; V166-N168 PolarHBondContact O-N 2.93Å
167	H	27.9	Very low	26.5	Very low	155 Å²	155	128.5 Å²	128.5	72%	0.718	70%	0.704	S	S	*	*			trans	-87.7	102.6	175.3	-150.4	49.5	0	0	0	109.3	T165 E169	T165-H167 PolarHBondContact O-N 2.94Å; T165-H167 VanDerWaalsContact O-N 3.14Å; H167-E169 IonicContact NE2-OE1 2.97Å; H167-E169 PolarHBondContact O-N 3.16Å
168	N	26.6	Very low	26.7	Very low	134 Å²	134	131.3 Å²	131.3	72%	0.717	70%	0.703	S	S	*	*			trans	-85.1	86.7	173.2	-74	-15.2	0	0	0	109.3	V166	V166-N168 WeakPolarHBondContact CG1-OD1 3.41Å; V166-N168 PolarHBondContact O-N 2.93Å
169	E	28.7	Very low	26.8	Very low	152 Å²	152	131.1 Å²	131.1	71%	0.71	71%	0.705	S	S	*	*			trans	-98.6	87.5	163.1	-82.3	-174.3	151.2	0	0	108.8	H167	H167-E169 IonicContact NE2-OE1 2.97Å; H167-E169 PolarHBondContact O-N 3.16Å
170	C	26.3	Very low	26.8	Very low	89 Å²	89	130.7 Å²	130.7	60%	0.601	70%	0.703	S	S	*	*			trans	-84.8	104.8	169	-66.3	0	0	0	0	108.5
171	I	29.2	Very low	26.9	Very low	147 Å²	147	135 Å²	135	75%	0.754	72%	0.715	S	S	*	*			trans	-126	102.5	163	-59.7	179.1	0	0	0	107.4
172	N	29.3	Very low	26.9	Very low	159 Å²	159	138.6 Å²	138.6	85%	0.85	72%	0.719	S	S	*	*	S	Bend	trans	39.1	85.6	158.8	-62.5	-15.8	0	0	0	116.9
173	A	30.1	Very low	27	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	72%	0.715	S	S	*	*	S	Bend	trans	140.5	105.5	149.3	0	0	0	0	0	109.7
174	E	28.7	Very low	26.9	Very low	191 Å²	191	140 Å²	140	89%	0.893	72%	0.718	S	S	*	*			trans	41.2	91.8	167.3	-70.5	-179	156.1	0	0	117.9	N176	E174-N176 PolarHBondContact O-N 3.2Å
175	C	28.4	Very low	27	Very low	97 Å²	97	137.7 Å²	137.7	66%	0.655	71%	0.711	S	S	*	*			trans	-66.6	94.5	169.1	-73.4	0	0	0	0	112	S177	C175-S177 PolarHBondContact O-N 2.8Å
176	N	26.8	Very low	26.9	Very low	166 Å²	166	141.8 Å²	141.8	89%	0.888	72%	0.716	S	S	*	*			trans	-82.5	102.8	157.6	-99	-30.5	0	0	0	109.9	E174	E174-N176 PolarHBondContact O-N 3.2Å
177	S	27.8	Very low	26.8	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	72%	0.721	S	S	*	*			trans	-56.9	157.1	-179.3	65.8	0	0	0	0	114.7	C175	C175-S177 PolarHBondContact O-N 2.8Å
178	R	26.1	Very low	26.6	Very low	216 Å²	216	145.7 Å²	145.7	82%	0.815	73%	0.727	S	S	*	*			trans	88.7	69.8	167.7	-54	-179.2	-176	-176.4	0.6	117.8
179	K	26.1	Very low	26.5	Very low	184 Å²	184	146.1 Å²	146.1	80%	0.8	73%	0.727	S	S	*	*			trans	-118.3	99.3	145.4	-78.1	-175.8	-179.9	172.5	0	109.6	F181	K179-F181 HydrophobicContact CB-CE2 4.17Å; K179-F181 WeakPolarHBondContact O-CD2 3.41Å; K179-F181 PolarHBondContact O-N 2.95Å
180	H	24.9	Very low	26.4	Very low	160 Å²	160	143.7 Å²	143.7	74%	0.741	73%	0.727	S	S	*	*			trans	-67.8	110.9	173.9	-69.2	-80.4	0	0	0	109.9
181	F	26.9	Very low	26.5	Very low	174 Å²	174	144 Å²	144	76%	0.763	73%	0.73	S	S	*	*			trans	-93.9	110.6	169.1	-76.8	-84.5	0	0	0	109.1	K179	K179-F181 HydrophobicContact CB-CE2 4.17Å; K179-F181 WeakPolarHBondContact O-CD2 3.41Å; K179-F181 PolarHBondContact O-N 2.95Å
182	R	24.2	Very low	26.4	Very low	167 Å²	167	144.2 Å²	144.2	63%	0.63	73%	0.728	S	S	*	*			trans	-82.4	115.4	170.9	-74.6	-177.3	177.4	170.9	0.4	109.2	Y184	R182-Y184 HydrophobicContact CB-CE2 4.01Å
183	S	26.5	Very low	26.5	Very low	65 Å²	65	141.2 Å²	141.2	46%	0.455	72%	0.72	S	S	.	*			trans	-92	137.8	171.7	71.1	0	0	0	0	109.9
184	Y	24.2	Very low	26.4	Very low	136 Å²	136	140.5 Å²	140.5	53%	0.533	71%	0.709	S	S	.	*			trans	-117.6	124.3	179.7	-63.1	-88.6	0	0	0	108.8	T160 R182	T160-Y184 HydrophobicContact CG2-CD1 4.2Å; R182-Y184 HydrophobicContact CB-CE2 4.01Å
185	S	25.8	Very low	26.4	Very low	75 Å²	75	134.7 Å²	134.7	52%	0.524	69%	0.689	S	S	.	*			trans	-115.4	137	173.7	74.6	0	0	0	0	109.9
186	Y	24.1	Very low	26.4	Very low	190 Å²	190	135.4 Å²	135.4	75%	0.745	68%	0.683	S	S	*	*			trans	-109.3	119.1	179	-63.9	-86.9	0	0	0	108.4
187	R	23.9	Very low	26.4	Very low	224 Å²	224	136.4 Å²	136.4	85%	0.845	67%	0.674	S	S	*	*			trans	-102	104.8	174.9	-161.4	179.1	-166.4	-174.7	3.6	109.1	I189	R187-I189 PolarHBondContact O-N 3.49Å
188	T	24.2	Very low	26.6	Very low	138 Å²	138	138.1 Å²	138.1	85%	0.847	67%	0.669	S	S	*	*			trans	-78.1	111.1	169.9	44.4	0	0	0	0	109.2
189	I	23.4	Very low	26.9	Very low	142 Å²	142	133.4 Å²	133.4	73%	0.728	66%	0.656	S	S	*	*			trans	-83.6	131.9	175.8	-63.2	172.8	0	0	0	109.6	R187	R187-I189 PolarHBondContact O-N 3.49Å
190	S	26.8	Very low	27.2	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	65%	0.646	S	S	*	*			trans	67.2	94.4	171.7	82.7	0	0	0	0	119.4
191	S	28.1	Very low	27.8	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	64%	0.638	S	S	*	*			trans	-114.9	15.5	163.3	70.9	0	0	0	0	113.8	S193 S194	S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 3Å; S191-S194 PolarHBondContact O-OG 3.33Å
192	E	28.8	Very low	28.2	Very low	152 Å²	152	124.7 Å²	124.7	71%	0.71	63%	0.625	S	S	*	*	H	α-helix	trans	-69	-20.7	-177.6	-88.9	166.5	157.6	0	0	114.1	S195	E192-S195 PolarHBondContact O-OG 2.69Å
193	S	29.8	Very low	28.7	Very low	97 Å²	97	122 Å²	122	68%	0.678	62%	0.619	S	S	*	*	H	α-helix	trans	-77.1	-28	-176.8	65.1	0	0	0	0	114.2	S191	S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 3Å
194	S	28.9	Very low	29.3	Very low	82 Å²	82	127.3 Å²	127.3	57%	0.573	63%	0.631	S	S	*	*	H	α-helix	trans	-78.7	-32.8	-178.1	60	0	0	0	0	113.8	S191 F198	S191-S194 PolarHBondContact O-OG 3.33Å; S194-F198 PolarHBondContact O-N 2.88Å
195	S	28.1	Very low	30.1	Very low	68 Å²	68	128 Å²	128	48%	0.476	63%	0.633	S	S	.	*	H	α-helix	trans	-72	-44.4	179.7	44.7	0	0	0	0	111.6	E192 R197 F198 E199	E192-S195 PolarHBondContact O-OG 2.69Å; S195-R197 PolarHBondContact O-N 3.08Å; S195-F198 PolarHBondContact O-N 3.5Å; S195-F198 VanDerWaalsContact O-N 3.17Å; S195-E199 PolarHBondContact O-N 2.88Å; S195-E199 VanDerWaalsContact O-N 3.12Å
196	H	28	Very low	30.7	Very low	112 Å²	112	127.4 Å²	127.4	52%	0.519	63%	0.633	S	S	.	*	H	α-helix	trans	-62.3	-40	178.4	-89.7	-59	0	0	0	112.5	F198 E199 Y200	H196-F198 VanDerWaalsContact C-N 3.33Å; H196-F198 PolarHBondContact O-N 3.23Å; H196-E199 PolarHBondContact O-N 3.02Å; H196-Y200 WeakPolarHBondContact O-CD2 3.33Å; H196-Y200 PolarHBondContact O-N 3.38Å
197	R	27.3	Very low	31.4	Very low	188 Å²	188	123.1 Å²	123.1	71%	0.709	62%	0.622	S	S	*	*	H	α-helix	trans	-64.1	-36.8	175.2	-96.8	-174.9	179	176.8	2	112.9	S195 T201	S195-R197 PolarHBondContact O-N 3.08Å; R197-T201 PolarHBondContact O-N 3.32Å; R197-T201 PolarHBondContact O-OG1 2.65Å
198	F	32.9	Very low	32.2	Very low	134 Å²	134	116.4 Å²	116.4	59%	0.588	60%	0.599	S	S	*	*	H	α-helix	trans	-67.6	-39.8	179.3	-165	-103.1	0	0	0	111.8	S194 S195 H196 T201 I202	S194-F198 PolarHBondContact O-N 2.88Å; S195-F198 PolarHBondContact O-N 3.5Å; S195-F198 VanDerWaalsContact O-N 3.17Å; H196-F198 VanDerWaalsContact C-N 3.33Å; H196-F198 PolarHBondContact O-N 3.23Å; F198-T201 PolarHBondContact O-N 2.78Å; F198-I202 HydrophobicContact CD1-CD1 3.69Å; F198-I202 HydrophobicContact CE1-CD1 3.49Å; F198-I202 VanDerWaalsContact CE1-CD1 3.49Å; F198-I202 HydrophobicContact CE1-CG1 4.41Å; F198-I202 HydrophobicContact CZ-CD1 4.27Å; F198-I202 WeakPolarHBondContact O-CG1 3.48Å; F198-I202 PolarHBondContact O-N 2.76Å
199	E	31.4	Very low	33.2	Very low	117 Å²	117	112.8 Å²	112.8	55%	0.547	57%	0.574	S	S	.	*	H	α-helix	trans	-64.8	-42.7	178.5	-139.2	171	-162.1	0	0	112.3	S195 H196 T201 I202 Q203	S195-E199 PolarHBondContact O-N 2.88Å; S195-E199 VanDerWaalsContact O-N 3.12Å; H196-E199 PolarHBondContact O-N 3.02Å; E199-T201 PolarHBondContact O-N 2.74Å; E199-I202 PolarHBondContact O-N 2.97Å; E199-Q203 PolarHBondContact O-N 3.45Å; E199-Q203 VanDerWaalsContact O-N 3.16Å
200	Y	33.4	Very low	33.9	Very low	147 Å²	147	115 Å²	115	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-64.5	-37.5	174.9	-87.6	-71.3	0	0	0	113.3	H196 I202 Q203 Y204	H196-Y200 WeakPolarHBondContact O-CD2 3.33Å; H196-Y200 PolarHBondContact O-N 3.38Å; Y200-I202 VanDerWaalsContact C-N 3.27Å; Y200-I202 PolarHBondContact O-N 3.04Å; Y200-Q203 PolarHBondContact O-N 2.91Å; Y200-Y204 PolarHBondContact O-N 3.38Å; Y200-Y204 VanDerWaalsContact O-N 3.15Å
201	T	37	Very low	34.5	Very low	95 Å²	95	114.6 Å²	114.6	58%	0.583	56%	0.563	S	S	*	*	H	α-helix	trans	-65.9	-34	179.3	-41.6	0	0	0	0	111.1	R197 F198 E199 Y205	R197-T201 PolarHBondContact O-N 3.32Å; R197-T201 PolarHBondContact O-OG1 2.65Å; F198-T201 PolarHBondContact O-N 2.78Å; E199-T201 PolarHBondContact O-N 2.74Å; T201-Y205 PolarHBondContact O-N 3.41Å
202	I	35.9	Very low	35.1	Very low	94 Å²	94	114 Å²	114	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-69.4	-43.1	176	-69.5	169.9	0	0	0	111.4	F198 E199 Y200 Y204 Y205 A206	F198-I202 HydrophobicContact CD1-CD1 3.69Å; F198-I202 HydrophobicContact CE1-CD1 3.49Å; F198-I202 VanDerWaalsContact CE1-CD1 3.49Å; F198-I202 HydrophobicContact CE1-CG1 4.41Å; F198-I202 HydrophobicContact CZ-CD1 4.27Å; F198-I202 WeakPolarHBondContact O-CG1 3.48Å; F198-I202 PolarHBondContact O-N 2.76Å; E199-I202 PolarHBondContact O-N 2.97Å; Y200-I202 VanDerWaalsContact C-N 3.27Å; Y200-I202 PolarHBondContact O-N 3.04Å; I202-Y204 PolarHBondContact O-N 2.95Å; I202-Y205 PolarHBondContact O-N 3Å; I202-A206 PolarHBondContact O-N 3.17Å
203	Q	34.6	Very low	35.6	Very low	109 Å²	109	113.2 Å²	113.2	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-61.9	-42.2	178.6	-72.3	-179	-4.2	0	0	111.8	E199 Y200 Y205 A206 I207	E199-Q203 PolarHBondContact O-N 3.45Å; E199-Q203 VanDerWaalsContact O-N 3.16Å; Y200-Q203 PolarHBondContact O-N 2.91Å; Q203-Y205 VanDerWaalsContact C-N 3.32Å; Q203-Y205 PolarHBondContact O-N 3.31Å; Q203-A206 PolarHBondContact O-N 2.7Å; Q203-I207 WeakPolarHBondContact O-CG1 3.36Å; Q203-I207 PolarHBondContact O-N 3.17Å; Q203-I207 VanDerWaalsContact O-N 3.09Å
204	Y	39.7	Very low	35.8	Very low	178 Å²	178	111.6 Å²	111.6	70%	0.698	54%	0.54	S	S	*	.	H	α-helix	trans	-61.3	-38.7	174.4	-96.1	-80.3	0	0	0	112.9	Y200 I202 I207 F208	Y200-Y204 PolarHBondContact O-N 3.38Å; Y200-Y204 VanDerWaalsContact O-N 3.15Å; I202-Y204 PolarHBondContact O-N 2.95Å; Y204-I207 PolarHBondContact O-N 3.41Å; Y204-F208 WeakPolarHBondContact O-CB 3.4Å; Y204-F208 PolarHBondContact O-N 3.22Å
205	Y	40.3	Very low	36	Very low	150 Å²	150	113.3 Å²	113.3	59%	0.588	54%	0.542	S	S	*	.	H	α-helix	trans	-67	-37.5	178.2	-161.4	-94.6	0	0	0	112.3	T201 I202 Q203 L209	T201-Y205 PolarHBondContact O-N 3.41Å; I202-Y205 PolarHBondContact O-N 3Å; Q203-Y205 VanDerWaalsContact C-N 3.32Å; Q203-Y205 PolarHBondContact O-N 3.31Å; Y205-L209 HydrophobicContact CD1-CD1 3.73Å; Y205-L209 HydrophobicContact CD1-CG 4.38Å; Y205-L209 HydrophobicContact CE1-CD1 3.54Å; Y205-L209 HydrophobicContact CE1-CG 4.17Å; Y205-L209 PolarHBondContact O-N 3.43Å; Y205-L209 VanDerWaalsContact O-N 3.1Å
206	A	38.8	Very low	36.4	Very low	62 Å²	62	113.9 Å²	113.9	51%	0.512	55%	0.545	S	S	.	.	H	α-helix	trans	-66.6	-44.3	176.2	0	0	0	0	0	112.1	I202 Q203 F208 L209 Y210	I202-A206 PolarHBondContact O-N 3.17Å; Q203-A206 PolarHBondContact O-N 2.7Å; A206-F208 VanDerWaalsContact C-N 3.35Å; A206-F208 PolarHBondContact O-N 3.12Å; A206-L209 PolarHBondContact O-N 3.21Å; A206-Y210 PolarHBondContact O-N 3.33Å; A206-Y210 VanDerWaalsContact O-N 3.14Å
207	I	37.7	Very low	36.3	Very low	100 Å²	100	115 Å²	115	51%	0.513	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-43.4	176.4	-64.9	166.4	0	0	0	110.6	Q203 Y204 L209 Y210 I211	Q203-I207 WeakPolarHBondContact O-CG1 3.36Å; Q203-I207 PolarHBondContact O-N 3.17Å; Q203-I207 VanDerWaalsContact O-N 3.09Å; Y204-I207 PolarHBondContact O-N 3.41Å; I207-L209 PolarHBondContact O-N 3.11Å; I207-Y210 WeakPolarHBondContact O-CB 3.28Å; I207-Y210 PolarHBondContact O-N 3.46Å; I207-I211 HydrophobicContact CG2-CD1 4.06Å; I207-I211 WeakPolarHBondContact O-CG1 3.44Å; I207-I211 PolarHBondContact O-N 3.4Å; I207-I211 VanDerWaalsContact O-N 3.08Å
208	F	41.5	Very low	36.2	Very low	84 Å²	84	112 Å²	112	37%	0.368	56%	0.558	S	S	.	*	H	α-helix	trans	-62.5	-42.7	179.5	-176.8	-100.1	0	0	0	112.8	F62 Y204 A206 Y210 I211 L212	F62-F208 HydrophobicContact CE2-CZ 4.13Å; Y204-F208 WeakPolarHBondContact O-CB 3.4Å; Y204-F208 PolarHBondContact O-N 3.22Å; A206-F208 VanDerWaalsContact C-N 3.35Å; A206-F208 PolarHBondContact O-N 3.12Å; F208-Y210 VanDerWaalsContact C-N 3.29Å; F208-Y210 PolarHBondContact O-N 3.47Å; F208-I211 PolarHBondContact O-N 3.34Å; F208-L212 HydrophobicContact CD1-CD1 4.27Å; F208-L212 HydrophobicContact CE1-CD1 3.64Å; F208-L212 HydrophobicContact CZ-CD1 4.06Å; F208-L212 PolarHBondContact O-N 3.42Å; F208-L212 VanDerWaalsContact O-N 3.13Å
209	L	44.9	Very low	35.9	Very low	62 Å²	62	114 Å²	114	33%	0.325	57%	0.569	S	S	.	*	H	α-helix	trans	-62.8	-37	174.7	-81.3	169.1	0	0	0	112.1	Y205 A206 I207 L212 F213	Y205-L209 HydrophobicContact CD1-CD1 3.73Å; Y205-L209 HydrophobicContact CD1-CG 4.38Å; Y205-L209 HydrophobicContact CE1-CD1 3.54Å; Y205-L209 HydrophobicContact CE1-CG 4.17Å; Y205-L209 PolarHBondContact O-N 3.43Å; Y205-L209 VanDerWaalsContact O-N 3.1Å; A206-L209 PolarHBondContact O-N 3.21Å; I207-L209 PolarHBondContact O-N 3.11Å; L209-L212 PolarHBondContact O-N 2.98Å; L209-F213 WeakPolarHBondContact O-CD2 3.43Å; L209-F213 PolarHBondContact O-N 3.49Å; L209-F213 VanDerWaalsContact O-N 3.12Å
210	Y	38.2	Very low	35.5	Very low	189 Å²	189	113 Å²	113	74%	0.741	57%	0.574	S	S	*	*	H	α-helix	trans	-65.7	-42.7	178.8	-151.9	-88.6	0	0	0	112.2	A206 I207 F208 L212 F213 A214	A206-Y210 PolarHBondContact O-N 3.33Å; A206-Y210 VanDerWaalsContact O-N 3.14Å; I207-Y210 WeakPolarHBondContact O-CB 3.28Å; I207-Y210 PolarHBondContact O-N 3.46Å; F208-Y210 VanDerWaalsContact C-N 3.29Å; F208-Y210 PolarHBondContact O-N 3.47Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 3.44Å; Y210-F213 PolarHBondContact O-N 2.78Å; Y210-A214 PolarHBondContact O-N 2.97Å
211	I	39.4	Very low	35	Very low	92 Å²	92	113.4 Å²	113.4	47%	0.472	58%	0.584	S	S	.	*	H	α-helix	trans	-63.4	-39.6	176	-65.5	168.8	0	0	0	111.1	I207 F208 F213 A214 L215	I207-I211 HydrophobicContact CG2-CD1 4.06Å; I207-I211 WeakPolarHBondContact O-CG1 3.44Å; I207-I211 PolarHBondContact O-N 3.4Å; I207-I211 VanDerWaalsContact O-N 3.08Å; F208-I211 PolarHBondContact O-N 3.34Å; I211-F213 VanDerWaalsContact C-N 3.31Å; I211-F213 PolarHBondContact O-N 3.39Å; I211-A214 PolarHBondContact O-N 3.26Å; I211-L215 HydrophobicContact CG2-CD1 3.83Å; I211-L215 HydrophobicContact CG2-CG 4.45Å; I211-L215 WeakPolarHBondContact O-CG 3.45Å; I211-L215 PolarHBondContact O-N 3.34Å
212	L	40.3	Very low	34.4	Very low	83 Å²	83	115.7 Å²	115.7	44%	0.435	59%	0.593	S	S	.	*	H	α-helix	trans	-63.2	-37.6	177.8	-131.1	153.8	0	0	0	111.8	F208 L209 Y210 S216	F208-L212 HydrophobicContact CD1-CD1 4.27Å; F208-L212 HydrophobicContact CE1-CD1 3.64Å; F208-L212 HydrophobicContact CZ-CD1 4.06Å; F208-L212 PolarHBondContact O-N 3.42Å; F208-L212 VanDerWaalsContact O-N 3.13Å; L209-L212 PolarHBondContact O-N 2.98Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 3.44Å; L212-S216 PolarHBondContact O-N 2.91Å; L212-S216 PolarHBondContact O-OG 3.12Å
213	F	39.2	Very low	33.7	Very low	134 Å²	134	113.4 Å²	113.4	59%	0.588	59%	0.592	S	S	*	*	H	α-helix	trans	-67.4	-44.1	172.7	-94.4	-75	0	0	0	112.4	L209 Y210 I211 L215 S216	L209-F213 WeakPolarHBondContact O-CD2 3.43Å; L209-F213 PolarHBondContact O-N 3.49Å; L209-F213 VanDerWaalsContact O-N 3.12Å; Y210-F213 PolarHBondContact O-N 2.78Å; I211-F213 VanDerWaalsContact C-N 3.31Å; I211-F213 PolarHBondContact O-N 3.39Å; F213-L215 PolarHBondContact O-N 3.22Å; F213-S216 PolarHBondContact O-N 2.94Å; F213-S216 PolarHBondContact O-OG 3.08Å
214	A	34.6	Very low	33.1	Very low	64 Å²	64	118.1 Å²	118.1	53%	0.529	61%	0.611	S	S	.	*	H	α-helix	trans	-61.5	-43.2	179.5	0	0	0	0	0	112.4	Y210 I211 S216 N217	Y210-A214 PolarHBondContact O-N 2.97Å; I211-A214 PolarHBondContact O-N 3.26Å; A214-S216 VanDerWaalsContact C-N 3.3Å; A214-S216 PolarHBondContact O-N 3.02Å; A214-N217 PolarHBondContact O-N 2.85Å
215	L	33.9	Very low	32.5	Very low	118 Å²	118	113.2 Å²	113.2	62%	0.618	60%	0.601	S	S	*	*	H	α-helix	trans	-69.2	-25.9	179.7	-73.3	166.5	0	0	0	113.4	I211 F213 N217	I211-L215 HydrophobicContact CG2-CD1 3.83Å; I211-L215 HydrophobicContact CG2-CG 4.45Å; I211-L215 WeakPolarHBondContact O-CG 3.45Å; I211-L215 PolarHBondContact O-N 3.34Å; F213-L215 PolarHBondContact O-N 3.22Å; L215-N217 VanDerWaalsContact C-N 3.28Å; L215-N217 PolarHBondContact O-N 3.28Å
216	S	35.2	Very low	31.6	Very low	79 Å²	79	112.4 Å²	112.4	55%	0.552	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-8.6	-179.6	64.5	0	0	0	0	115.1	L212 F213 A214	L212-S216 PolarHBondContact O-N 2.91Å; L212-S216 PolarHBondContact O-OG 3.12Å; F213-S216 PolarHBondContact O-N 2.94Å; F213-S216 PolarHBondContact O-OG 3.08Å; A214-S216 VanDerWaalsContact C-N 3.3Å; A214-S216 PolarHBondContact O-N 3.02Å
217	N	26.1	Very low	30.8	Very low	136 Å²	136	114 Å²	114	73%	0.727	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	9.6	-178.5	-89.4	-11.1	0	0	0	114.7	A214 L215 Q219	A214-N217 PolarHBondContact O-N 2.85Å; L215-N217 VanDerWaalsContact C-N 3.28Å; L215-N217 PolarHBondContact O-N 3.28Å; N217-Q219 PolarHBondContact O-N 3.13Å
218	V	25	Very low	30.1	Very low	125 Å²	125	116.9 Å²	116.9	76%	0.758	64%	0.635	S	S	*	*			trans	-80.9	114.6	178.5	-174.6	0	0	0	0	110.2
219	Q	26.4	Very low	29.3	Very low	176 Å²	176	117.2 Å²	117.2	82%	0.822	65%	0.647	S	S	*	*			trans	-68.6	144.1	-171.1	-79.7	169.8	-47.5	0	0	115.8	N217	N217-Q219 PolarHBondContact O-N 3.13Å
220	C	24.2	Very low	28.3	Very low	96 Å²	96	122.3 Å²	122.3	65%	0.649	67%	0.673	S	S	*	*			trans	-2	127.4	153.5	-53	0	0	0	0	119.5
221	I	23.3	Very low	27.6	Very low	155 Å²	155	121 Å²	121	80%	0.795	68%	0.679	S	S	*	*			trans	-125.3	117.2	155.1	-64.2	178.2	0	0	0	108.2
222	N	23	Very low	26.9	Very low	144 Å²	144	120.1 Å²	120.1	77%	0.77	69%	0.693	S	S	*	*			trans	-60	137.8	-173.7	-70	-48.2	0	0	0	114.6	D77	D77-N222 WeakPolarHBondContact OD2-CA 3.42Å
223	G	21.4	Very low	26	Very low	45 Å²	45	123.2 Å²	123.2	46%	0.464	72%	0.715	S	S	.	*			trans	-157.3	108.1	168.9	0	0	0	0	0	114.8	D77	D77-G223 PolarHBondContact OD2-N 3.48Å
224	K	22	Very low	25.3	Very low	209 Å²	209	127 Å²	127	91%	0.909	73%	0.732	S	S	*	*			trans	-59.1	149.9	-173.5	-95.5	174.6	174.4	174	0	116
225	P	26.7	Very low	24.9	Very low	74 Å²	74	128.3 Å²	128.3	48%	0.481	74%	0.743	S	S	.	*			trans	-104.8	154.3	-176.9	42.1	-37.7	0	0	0	114.6	N76	N76-P225 HydrophobicContact CB-CB 4Å; N76-P225 WeakPolarHBondContact ND2-CB 3.4Å; N76-P225 WeakPolarHBondContact ND2-CG 3.44Å; N76-P225 WeakPolarHBondContact OD1-CB 3.44Å; N76-P225 VanDerWaalsContact OD1-CD 3.24Å; N76-P225 WeakPolarHBondContact OD1-CD 3.47Å; N76-P225 WeakPolarHBondContact OD1-CG 3.38Å
226	T	21.8	Very low	24.4	Very low	133 Å²	133	132.1 Å²	132.1	82%	0.816	76%	0.758	S	S	*	*			trans	-127.8	115.7	171.2	16.8	0	0	0	0	111.2
227	S	22.2	Very low	23.8	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	77%	0.771	S	S	*	*			trans	57.8	135.8	131.8	69.8	0	0	0	0	123.5
228	L	23.3	Very low	23.7	Very low	159 Å²	159	133.9 Å²	133.9	83%	0.832	78%	0.775	S	S	*	*			trans	100.3	100.8	133.9	-88	149.8	0	0	0	119
229	S	23.4	Very low	23.8	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	78%	0.78	S	S	*	*			trans	-58	150	157.6	51.6	0	0	0	0	114.2
230	I	25.5	Very low	23.6	Very low	170 Å²	170	130.1 Å²	130.1	87%	0.872	77%	0.774	S	S	*	*			trans	-153.5	130.4	137.9	-91.4	141.7	0	0	0	108
231	N	23.2	Very low	23.5	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	78%	0.778	S	S	*	*			trans	-85.5	148.3	-179.3	-76.8	-31.3	0	0	0	111.5
232	G	23.6	Very low	23.7	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	78%	0.781	S	S	*	*			trans	-153.9	114	167.9	0	0	0	0	0	110.4
233	T	22.8	Very low	23.8	Very low	147 Å²	147	134.3 Å²	134.3	90%	0.902	78%	0.784	S	S	*	*			trans	-84.4	136.3	-178.2	32.4	0	0	0	0	111.2
234	F	24.7	Very low	24	Very low	213 Å²	213	136.9 Å²	136.9	93%	0.934	80%	0.795	S	S	*	*			trans	-112	122.7	175	-104.6	-92.2	0	0	0	109.9
235	A	26	Very low	24.2	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	79%	0.793	S	S	*	*			trans	-87.1	137.2	178.2	0	0	0	0	0	111.5
236	E	22.5	Very low	24.1	Very low	199 Å²	199	139.4 Å²	139.4	93%	0.93	81%	0.811	S	S	*	*			trans	-70.7	130.8	171.7	-72.3	174.2	140.4	0	0	110.8
237	T	23.8	Very low	24.3	Very low	135 Å²	135	138.4 Å²	138.4	83%	0.828	81%	0.809	S	S	*	*			trans	-123.4	114.3	168.4	-17.7	0	0	0	0	109.1	S239	T237-S239 PolarHBondContact O-N 2.92Å
238	S	23.9	Very low	24.5	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	82%	0.817	S	S	*	*			trans	-67	113.1	173	36.2	0	0	0	0	110.6	S240	S238-S240 PolarHBondContact O-N 3.22Å
239	S	25.6	Very low	24.6	Very low	123 Å²	123	136.9 Å²	136.9	86%	0.86	81%	0.812	S	S	*	*			trans	-85.2	99.7	171.6	38.8	0	0	0	0	109.8	T237	T237-S239 PolarHBondContact O-N 2.92Å
240	S	22.4	Very low	24.7	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	82%	0.822	S	S	*	*			trans	-90.5	166	155	60	0	0	0	0	108.9	S238	S238-S240 PolarHBondContact O-N 3.22Å
241	I	23.2	Very low	24.7	Very low	145 Å²	145	135.6 Å²	135.6	74%	0.744	82%	0.818	S	S	*	*			trans	98.8	101	179.5	-51.4	160.4	0	0	0	113.4
242	Y	27.2	Very low	24.7	Very low	219 Å²	219	132 Å²	132	86%	0.859	81%	0.805	S	S	*	*				-167.4	85.2	121.9	-103.2	-74	0	0	0	108.8
243	S	23.8	Very low	24.9	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	81%	0.809	S	S	*	*			trans	-77.5	113.3	158.9	45.8	0	0	0	0	108
244	S	26.2	Very low	25	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	80%	0.802	S	S	*	*			trans	-115.9	108.5	169.2	48.6	0	0	0	0	109.4	M246	S244-M246 PolarHBondContact O-N 3.18Å
245	N	25.7	Very low	25	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	79%	0.792	S	S	*	*			trans	-61.3	105.8	166.9	-76.5	-25.6	0	0	0	108.7
246	M	25.9	Very low	25	Very low	173 Å²	173	130 Å²	130	85%	0.852	79%	0.793	S	S	*	*			trans	-95.5	95.8	161.3	-77.4	-141.4	90.4	0	0	109	S244 S248	S244-M246 PolarHBondContact O-N 3.18Å; M246-S248 PolarHBondContact O-N 2.94Å; M246-S248 VanDerWaalsContact O-N 3.17Å
247	S	25.1	Very low	25.1	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	79%	0.788	S	S	*	*			trans	-56.9	106	160.1	25.6	0	0	0	0	109.3	S249	S247-S249 PolarHBondContact O-N 3.05Å
248	S	26.7	Very low	25.1	Very low	121 Å²	121	126.9 Å²	126.9	85%	0.846	79%	0.785	S	S	*	*			trans	-79.5	98.2	171.3	41.3	0	0	0	0	108.6	M246 G250	M246-S248 PolarHBondContact O-N 2.94Å; M246-S248 VanDerWaalsContact O-N 3.17Å; S248-G250 PolarHBondContact O-N 3.16Å
249	S	25	Very low	25.2	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	78%	0.781	S	S	*	*			trans	-62	122.8	166.6	45.7	0	0	0	0	109.2	S247 I251	S247-S249 PolarHBondContact O-N 3.05Å; S249-I251 PolarHBondContact O-N 3.02Å; S249-I251 VanDerWaalsContact O-N 3.13Å
250	G	26	Very low	25.1	Very low	82 Å²	82	126.8 Å²	126.8	85%	0.845	78%	0.778	S	S	*	*			trans	-64.4	108.7	176.5	0	0	0	0	0	110.7	S248	S248-G250 PolarHBondContact O-N 3.16Å
251	I	25.3	Very low	25.2	Very low	152 Å²	152	126.8 Å²	126.8	78%	0.779	78%	0.778	S	S	*	*			trans	-100.1	103.4	161.7	-61.4	175.1	0	0	0	105.5	S249	S249-I251 PolarHBondContact O-N 3.02Å; S249-I251 VanDerWaalsContact O-N 3.13Å
252	S	23.6	Very low	25.2	Very low	85 Å²	85	127.5 Å²	127.5	59%	0.594	78%	0.783	S	S	*	*			trans	-60.2	130.3	176.9	73.8	0	0	0	0	109.6	N254	S252-N254 PolarHBondContact O-N 3.06Å
253	P	27.5	Very low	25	Very low	131 Å²	131	124.4 Å²	124.4	85%	0.851	78%	0.779	S	S	*	*			trans	-76.9	90.8	177.9	30.9	-30.5	0	0	0	108.7
254	N	24.2	Very low	25	Very low	140 Å²	140	125.4 Å²	125.4	75%	0.749	77%	0.774	S	S	*	*			trans	-72.5	141.8	166.3	-92.1	-15.3	0	0	0	110.1	S252	S252-N254 PolarHBondContact O-N 3.06Å
255	S	25.2	Very low	24.7	Very low	103 Å²	103	125.7 Å²	125.7	72%	0.72	78%	0.776	S	S	*	*			trans	73.9	65.4	169.4	72.1	0	0	0	0	117.3	L257	S255-L257 VanDerWaalsContact C-N 3.34Å; S255-L257 PolarHBondContact O-N 2.83Å
256	S	25.9	Very low	24.7	Very low	111 Å²	111	121.8 Å²	121.8	78%	0.776	76%	0.762	S	S	*	*			trans	-67	98.1	147.9	46.9	0	0	0	0	108.7	S258	S256-S258 PolarHBondContact O-N 3.27Å
257	L	25.3	Very low	24.5	Very low	160 Å²	160	121.5 Å²	121.5	84%	0.838	76%	0.764	S	S	*	*			trans	-52.3	113.5	161.7	-87.4	103	0	0	0	108	S255	S255-L257 VanDerWaalsContact C-N 3.34Å; S255-L257 PolarHBondContact O-N 2.83Å
258	S	24.2	Very low	24.5	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.2	123.1	177.7	-62.4	0	0	0	0	108	S256	S256-S258 PolarHBondContact O-N 3.27Å
259	P	25.3	Very low	24.4	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-65.2	142.3	178.7	26.5	-30.5	0	0	0	109	S261	P259-S261 PolarHBondContact O-N 2.98Å
260	P	23.9	Very low	24.3	Very low	123 Å²	123	126 Å²	126	80%	0.799	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-63.2	123.5	-174.2	25.9	-31.6	0	0	0	108.9	L262	P260-L262 PolarHBondContact O-N 3.36Å
261	S	24.7	Very low	24.2	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	77%	0.767	S	S	*	*			trans	-56.7	106.7	173	49.1	0	0	0	0	108.8	P259 I263	P259-S261 PolarHBondContact O-N 2.98Å; S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.15Å
262	L	23.2	Very low	24.1	Very low	160 Å²	160	128 Å²	128	84%	0.838	77%	0.765	S	S	*	*			trans	-60.1	100.9	163.4	-92.1	149.7	0	0	0	107.3	P260 I264	P260-L262 PolarHBondContact O-N 3.36Å; L262-I264 VanDerWaalsContact C-N 3.25Å; L262-I264 PolarHBondContact O-N 2.97Å
263	I	21.9	Very low	24.1	Very low	153 Å²	153	129.6 Å²	129.6	79%	0.785	78%	0.777	S	S	*	*			trans	-67.4	90.2	170.6	-60.1	170.6	0	0	0	106	S261 S265	S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.15Å; I263-S265 PolarHBondContact O-N 3.27Å
264	I	23.7	Very low	23.9	Very low	139 Å²	139	128.3 Å²	128.3	71%	0.713	77%	0.771	S	S	*	*			trans	-75.6	102.4	165.7	-62.2	171.9	0	0	0	104.9	L262 S266	L262-I264 VanDerWaalsContact C-N 3.25Å; L262-I264 PolarHBondContact O-N 2.97Å; I264-S266 PolarHBondContact O-N 3.49Å
265	S	21.5	Very low	24	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	77%	0.766	S	S	*	*			trans	-69.1	80.5	171.7	66.4	0	0	0	0	109.1	I263 N267	I263-S265 PolarHBondContact O-N 3.27Å; S265-N267 PolarHBondContact O-N 3.15Å
266	S	25	Very low	24.1	Very low	81 Å²	81	128 Å²	128	57%	0.566	77%	0.765	S	S	*	*			trans	-81.9	99.2	165.7	59.7	0	0	0	0	108	I264 H268	I264-S266 PolarHBondContact O-N 3.49Å; S266-H268 PolarHBondContact O-N 2.95Å
267	N	22	Very low	24.2	Very low	166 Å²	166	129.7 Å²	129.7	89%	0.888	77%	0.765	S	S	*	*			trans	-67.5	47.3	162.4	-93	-3.4	0	0	0	111.2	S265	S265-N267 PolarHBondContact O-N 3.15Å
268	H	24.9	Very low	24.5	Very low	160 Å²	160	125.7 Å²	125.7	74%	0.741	75%	0.745	S	S	*	*			trans	-97.3	103.4	168	-91.6	-65.8	0	0	0	107.8	S266 T270	S266-H268 PolarHBondContact O-N 2.95Å; H268-T270 PolarHBondContact O-N 2.75Å
269	T	23.3	Very low	24.6	Very low	130 Å²	130	128 Å²	128	80%	0.798	75%	0.745	S	S	*	*			trans	-34.4	118.5	163	38.6	0	0	0	0	110.5	E271	T269-E271 PolarHBondContact O-N 3.39Å
270	T	24.1	Very low	24.9	Very low	141 Å²	141	126.6 Å²	126.6	87%	0.865	73%	0.731	S	S	*	*			trans	-61.4	84.8	178.9	42.3	0	0	0	0	111.3	H268	H268-T270 PolarHBondContact O-N 2.75Å
271	E	22.9	Very low	25.3	Very low	184 Å²	184	126.1 Å²	126.1	86%	0.86	72%	0.718	S	S	*	*			trans	-90.2	98.9	149.6	-79.5	-171.8	167.5	0	0	107.2	T269 S273	T269-E271 PolarHBondContact O-N 3.39Å; E271-S273 PolarHBondContact O-N 3.47Å
272	A	23.5	Very low	25.9	Very low	91 Å²	91	127.1 Å²	127.1	75%	0.752	71%	0.711	S	S	*	*			trans	-55.9	99.9	173.6	0	0	0	0	0	108.9	S274	A272-S274 PolarHBondContact O-N 2.63Å
273	S	23.6	Very low	26.5	Very low	119 Å²	119	121.8 Å²	121.8	83%	0.832	68%	0.683	S	S	*	*			trans	-66.5	83.3	173.6	62.5	0	0	0	0	109.1	E271 V275	E271-S273 PolarHBondContact O-N 3.47Å; S273-V275 PolarHBondContact O-N 2.95Å
274	S	23.9	Very low	27.5	Very low	105 Å²	105	119.5 Å²	119.5	73%	0.734	67%	0.673	S	S	*	*			trans	-67.2	106.6	170.7	55.9	0	0	0	0	109	A272	A272-S274 PolarHBondContact O-N 2.63Å
275	V	26.3	Very low	28.6	Very low	107 Å²	107	114.1 Å²	114.1	65%	0.648	65%	0.645	S	S	*	*			trans	23.7	103.4	148.4	-168.3	0	0	0	0	115.6	S273 D277	S273-V275 PolarHBondContact O-N 2.95Å; V275-D277 PolarHBondContact O-N 2.82Å
276	D	27	Very low	29.6	Very low	130 Å²	130	112.8 Å²	112.8	70%	0.695	64%	0.636	S	S	*	*			trans	-61.2	99.1	175.4	-61.2	-57.4	0	0	0	112.8	L278	D276-L278 HydrophobicContact CB-CD1 4.41Å
277	D	27.7	Very low	30.5	Very low	145 Å²	145	111.7 Å²	111.7	78%	0.775	63%	0.626	S	S	*	*			trans	-89.5	126.1	159.4	-77.5	-31.6	0	0	0	109.5	V275	V275-D277 PolarHBondContact O-N 2.82Å
278	L	32.2	Very low	31.6	Very low	77 Å²	77	104.8 Å²	104.8	40%	0.403	59%	0.588	S	S	.	*			trans	-118.8	118.1	-166.5	-91.3	143.7	0	0	0	111.6	D276 R518 F523	D276-L278 HydrophobicContact CB-CD1 4.41Å; L278-R518 VanDerWaalsContact CD1-NH2 3.33Å; L278-F523 HydrophobicContact CD2-CZ 4.44Å
279	M	27	Very low	32.4	Very low	155 Å²	155	100.3 Å²	100.3	76%	0.764	57%	0.567	S	S	*	*			trans	-88.7	139	167.6	-77.8	-76.3	-127.7	0	0	111.4
280	I	31.3	Very low	33.2	Very low	84 Å²	84	96 Å²	96	43%	0.431	54%	0.541	S	S	.	.			trans	-107.3	113.1	172.3	-59.4	171.9	0	0	0	107.4	I514	I280-I514 HydrophobicContact CD1-CD1 3.79Å; I280-I514 HydrophobicContact CD1-CG1 3.95Å; I280-I514 HydrophobicContact CG1-CG1 4.24Å
281	Q	32.7	Very low	33.8	Very low	114 Å²	114	94.1 Å²	94.1	53%	0.533	53%	0.533	S	S	.	.			trans	-87.6	148.4	175.7	-85.2	-176.2	-11	0	0	111.5	Q517	Q281-Q517 PolarHBondContact O-NE2 2.87Å; Q281-Q517 PolarHBondContact O-OE1 3.42Å
282	H	36.4	Very low	34.4	Very low	122 Å²	122	90.5 Å²	90.5	57%	0.565	53%	0.528	S	S	*	.			trans	54	67.4	146.1	-61	20.2	0	0	0	117.8
283	L	36.2	Very low	34.8	Very low	48 Å²	48	89.5 Å²	89.5	25%	0.251	52%	0.516	S	S	.	.			trans	-98.1	103.5	151.5	-86.5	161.7	0	0	0	108.4	F288 V513	L283-F288 HydrophobicContact CB-CZ 4.42Å; L283-F288 HydrophobicContact CD2-CZ 4.05Å; L283-V513 HydrophobicContact CD1-CG1 3.95Å; L283-V513 HydrophobicContact CD2-CG1 3.92Å; L283-V513 HydrophobicContact CD2-CG2 4.17Å; L283-V513 HydrophobicContact CG-CG1 3.91Å
284	D	42.8	Very low	35.3	Very low	105 Å²	105	90.4 Å²	90.4	56%	0.561	52%	0.516	S	S	*	.			trans	-78.6	132	172.3	-174.1	16.6	0	0	0	110	S286 T287	D284-S286 PolarHBondContact O-N 3.2Å; D284-S286 VanDerWaalsContact O-N 3.07Å; D284-S286 PolarHBondContact OD2-OG 3.23Å; D284-T287 PolarHBondContact O-N 3.2Å; D284-T287 VanDerWaalsContact O-N 3.09Å; D284-T287 PolarHBondContact O-OG1 2.95Å
285	L	45.7	Very low	35.6	Very low	25 Å²	25	93.8 Å²	93.8	13%	0.131	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-58.1	-23.7	-176.1	-84.1	165.2	0	0	0	113.5	T287 F288 F329 A341 F343 K356	L285-T287 PolarHBondContact O-N 3.37Å; L285-F288 HydrophobicContact CD2-CD2 4.11Å; L285-F288 HydrophobicContact CD2-CE2 4.35Å; L285-F288 WeakPolarHBondContact O-CD2 3.45Å; L285-F288 PolarHBondContact O-N 3.43Å; L285-F329 HydrophobicContact CD2-CD1 4.09Å; L285-F329 HydrophobicContact CD2-CE1 3.92Å; L285-A341 WeakPolarHBondContact CD1-O 3.27Å; L285-A341 HydrophobicContact CD2-CB 4.03Å; L285-F343 HydrophobicContact CD1-CD2 4.45Å; L285-F343 HydrophobicContact CD1-CE2 4.17Å; L285-F343 HydrophobicContact CD2-CD2 4.03Å; L285-F343 HydrophobicContact CD2-CE2 3.32Å; L285-F343 HydrophobicContact CD2-CZ 3.73Å; L285-F343 HydrophobicContact CG-CD2 4.41Å; L285-F343 HydrophobicContact CG-CE2 3.67Å; L285-F343 HydrophobicContact CG-CZ 4.42Å; L285-K356 HydrophobicContact CD1-CB 4.41Å; L285-K356 WeakPolarHBondContact CD1-O 2.96Å; L285-K356 WeakPolarHBondContact CG-O 3.11Å
286	S	43.3	Very low	35.8	Very low	80 Å²	80	92.8 Å²	92.8	56%	0.559	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-55.8	-17.5	175	62	0	0	0	0	113.7	D284	D284-S286 PolarHBondContact O-N 3.2Å; D284-S286 VanDerWaalsContact O-N 3.07Å; D284-S286 PolarHBondContact OD2-OG 3.23Å
287	T	44.1	Very low	36.2	Very low	57 Å²	57	94.2 Å²	94.2	35%	0.35	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-85.2	-9.1	-179.3	56.1	0	0	0	0	115.5	D284 L285 K299	D284-T287 PolarHBondContact O-N 3.2Å; D284-T287 VanDerWaalsContact O-N 3.09Å; D284-T287 PolarHBondContact O-OG1 2.95Å; L285-T287 PolarHBondContact O-N 3.37Å; T287-K299 WeakPolarHBondContact O-CB 3.33Å; T287-K299 WeakPolarHBondContact O-CG 3.13Å
288	F	44.9	Very low	36.5	Very low	22 Å²	22	98.3 Å²	98.3	10%	0.096	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.2	-177.3	-52.8	-70.9	0	0	0	111.8	L283 L285 V300 I302 F329 F505	L283-F288 HydrophobicContact CB-CZ 4.42Å; L283-F288 HydrophobicContact CD2-CZ 4.05Å; L285-F288 HydrophobicContact CD2-CD2 4.11Å; L285-F288 HydrophobicContact CD2-CE2 4.35Å; L285-F288 WeakPolarHBondContact O-CD2 3.45Å; L285-F288 PolarHBondContact O-N 3.43Å; F288-V300 HydrophobicContact CD1-CB 4.13Å; F288-V300 HydrophobicContact CE1-CB 4.28Å; F288-I302 HydrophobicContact CB-CD1 3.68Å; F288-I302 HydrophobicContact CB-CG1 4.22Å; F288-I302 HydrophobicContact CG-CD1 4.49Å; F288-F329 HydrophobicContact CD2-CE1 4.05Å; F288-F329 HydrophobicContact CE2-CE1 4.07Å; F288-F329 HydrophobicContact CE2-CZ 4.33Å; F288-F329 HydrophobicContact CZ-CZ 4.36Å; F288-F505 AromaticContact CD1-CE2 3.87Å; F288-F505 HydrophobicContact CD1-CE2 3.87Å; F288-F505 HydrophobicContact CE1-CD2 4.38Å; F288-F505 AromaticContact CE1-CE2 3.37Å; F288-F505 HydrophobicContact CE1-CE2 3.37Å; F288-F505 AromaticContact CE1-CZ 3.84Å; F288-F505 HydrophobicContact CE1-CZ 3.84Å; F288-F505 HydrophobicContact CZ-CE2 4.27Å
289	Q	42.1	Very low	36.9	Very low	65 Å²	65	98.8 Å²	98.8	30%	0.304	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140	172.5	-97	-177.5	-14	0	0	110.9	K299	Q289-K299 HydrophobicContact CB-CB 4.47Å; Q289-K299 HydrophobicContact CB-CD 3.99Å; Q289-K299 VanDerWaalsContact CD-NZ 3.33Å; Q289-K299 HydrophobicContact CG-CD 3.73Å
290	T	39.8	Very low	37.5	Very low	41 Å²	41	93.1 Å²	93.1	25%	0.252	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.3	169.8	49.4	0	0	0	0	108.9	S292 Y503	T290-S292 PolarHBondContact O-N 2.96Å; T290-Y503 HydrophobicContact CG2-CD1 4.41Å; T290-Y503 HydrophobicContact CG2-CE1 3.64Å; T290-Y503 HydrophobicContact CG2-CE2 4.13Å
291	S	36.1	Very low	37.9	Very low	100 Å²	100	93.1 Å²	93.1	70%	0.699	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	40.5	-167.3	58.1	0	0	0	0	114.9
292	S	35.9	Very low	38.2	Very low	108 Å²	108	88 Å²	88	76%	0.755	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.8	178.4	65.5	0	0	0	0	115.3	T290	T290-S292 PolarHBondContact O-N 2.96Å
293	S	32.8	Very low	38	Very low	71 Å²	71	85 Å²	85	50%	0.497	48%	0.475	S	S	.	.			trans	-119.2	104.7	174.2	59.1	0	0	0	0	112.1	H295	S293-H295 VanDerWaalsContact C-N 3.29Å; S293-H295 PolarHBondContact O-N 2.59Å
294	T	34.3	Very low	38	Very low	137 Å²	137	85.2 Å²	85.2	84%	0.84	48%	0.477	S	S	*	.			trans	-73.5	78.3	170	43	0	0	0	0	109.6
295	H	29.1	Very low	37.5	Very low	176 Å²	176	81.5 Å²	81.5	82%	0.815	46%	0.458	S	S	*	.			trans	-169.9	139.2	151.7	-94.5	-7.6	0	0	0	112.2	S293	S293-H295 VanDerWaalsContact C-N 3.29Å; S293-H295 PolarHBondContact O-N 2.59Å
296	S	31.4	Very low	36.8	Very low	86 Å²	86	87.7 Å²	87.7	60%	0.601	48%	0.484	S	S	*	.	S	Bend	trans	100.2	125.6	173.3	82.7	0	0	0	0	117
297	N	34.3	Very low	36.3	Very low	161 Å²	161	85.8 Å²	85.8	86%	0.861	47%	0.467	S	S	*	.	S	Bend	trans	-70.3	134	-167.4	-73	-38.4	0	0	0	112.8
298	R	35.3	Very low	35.3	Very low	231 Å²	231	93 Å²	93	87%	0.872	49%	0.487	S	S	*	.			trans	76.6	58.9	170.8	-60.6	-179.9	170.6	170.1	0.1	117.9
299	K	39.7	Very low	34.5	Very low	87 Å²	87	96.3 Å²	96.3	38%	0.378	51%	0.513	S	S	.	.			trans	-120.2	142.7	164	-66.3	-174.7	-175.6	-176.6	0	112.1	T287 Q289	T287-K299 WeakPolarHBondContact O-CB 3.33Å; T287-K299 WeakPolarHBondContact O-CG 3.13Å; Q289-K299 HydrophobicContact CB-CB 4.47Å; Q289-K299 HydrophobicContact CB-CD 3.99Å; Q289-K299 VanDerWaalsContact CD-NZ 3.33Å; Q289-K299 HydrophobicContact CG-CD 3.73Å
300	V	39.1	Very low	33.7	Very low	35 Å²	35	100.8 Å²	100.8	21%	0.212	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.3	-173.4	-174.5	0	0	0	0	109.7	F288 I302 F505	F288-V300 HydrophobicContact CD1-CB 4.13Å; F288-V300 HydrophobicContact CE1-CB 4.28Å; V300-I302 PolarHBondContact O-N 2.89Å; V300-F505 HydrophobicContact CB-CE2 4.33Å; V300-F505 HydrophobicContact CB-CZ 4.42Å; V300-F505 HydrophobicContact CG1-CE2 3.61Å; V300-F505 HydrophobicContact CG1-CZ 3.56Å
301	P	39.4	Very low	33.3	Very low	84 Å²	84	111.2 Å²	111.2	55%	0.545	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.2	130.8	-178	27	-33.4	0	0	0	111.3
302	I	38.9	Very low	33.1	Very low	8 Å²	8	109.4 Å²	109.4	4%	0.041	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	138	171.4	-24.4	175.9	0	0	0	109.4	F288 V300 F329 Y503	F288-I302 HydrophobicContact CB-CD1 3.68Å; F288-I302 HydrophobicContact CB-CG1 4.22Å; F288-I302 HydrophobicContact CG-CD1 4.49Å; V300-I302 PolarHBondContact O-N 2.89Å; I302-F329 HydrophobicContact CG2-CD2 4.28Å; I302-Y503 HydrophobicContact CB-CD1 4.21Å; I302-Y503 VanDerWaalsContact CG2-CB 3.44Å; I302-Y503 HydrophobicContact CG2-CD1 4.33Å; I302-Y503 HydrophobicContact CG2-CG 4.27Å
303	T	34.2	Very low	32.7	Very low	58 Å²	58	116.2 Å²	116.2	36%	0.356	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.9	124.5	-178.6	-0.6	0	0	0	0	110.4	V305 Y503 G504	T303-V305 PolarHBondContact O-N 3.2Å; T303-Y503 WeakPolarHBondContact O-CA 3.48Å; T303-G504 PolarHBondContact N-O 3.32Å; T303-G504 PolarHBondContact O-N 3.48Å; T303-G504 PolarHBondContact OG1-O 2.87Å
304	N	35.9	Very low	32.6	Very low	53 Å²	53	119.4 Å²	119.4	28%	0.283	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.5	121.8	173.7	-126.3	-19.1	0	0	0	109.5	F306 Y503	N304-F306 HydrophobicContact CB-CD2 4.1Å; N304-F306 HydrophobicContact CB-CE2 3.6Å; N304-F306 HydrophobicContact CB-CZ 3.87Å; N304-F306 PolarHBondContact O-N 2.77Å; N304-F306 VanDerWaalsContact O-N 3.13Å; N304-Y503 HydrophobicContact CB-CD1 4.25Å; N304-Y503 HydrophobicContact CB-CE1 3.96Å; N304-Y503 PolarHBondContact ND2-OH 3.4Å; N304-Y503 WeakPolarHBondContact OD1-CD1 3.47Å; N304-Y503 WeakPolarHBondContact OD1-CE1 3.33Å; N304-Y503 PolarHBondContact OD1-OH 3.42Å
305	V	32.6	Very low	32.7	Very low	27 Å²	27	116.2 Å²	116.2	16%	0.164	55%	0.55	C	S	.	.			trans	-86.9	84	-179.6	-172.4	0	0	0	0	108.6	T303 M307 Y319 L323 V502	T303-V305 PolarHBondContact O-N 3.2Å; V305-M307 HydrophobicContact CG1-CE 3.54Å; V305-M307 HydrophobicContact CG1-CG 3.99Å; V305-M307 PolarHBondContact O-N 2.74Å; V305-M307 VanDerWaalsContact O-N 3.09Å; V305-Y319 HydrophobicContact CG1-CD1 3.84Å; V305-Y319 HydrophobicContact CG1-CE1 4.25Å; V305-Y319 HydrophobicContact CG1-CG 4.23Å; V305-L323 HydrophobicContact CG2-CD1 4.11Å; V305-V502 PolarHBondContact N-O 2.87Å
306	F	30.7	Very low	33	Very low	154 Å²	154	110 Å²	110	68%	0.675	52%	0.522	S	S	*	.			trans	-72.7	100	175.5	-65.1	-74.8	0	0	0	110.7	N304 R308	N304-F306 HydrophobicContact CB-CD2 4.1Å; N304-F306 HydrophobicContact CB-CE2 3.6Å; N304-F306 HydrophobicContact CB-CZ 3.87Å; N304-F306 PolarHBondContact O-N 2.77Å; N304-F306 VanDerWaalsContact O-N 3.13Å; F306-R308 PolarHBondContact O-N 2.82Å
307	M	31.1	Very low	33.2	Very low	41 Å²	41	109.1 Å²	109.1	20%	0.202	52%	0.516	C	S	.	.			trans	-87.4	75	176	-57.3	-166.4	-178.5	0	0	110.5	V305 S309 L316 Y319 V433	V305-M307 HydrophobicContact CG1-CE 3.54Å; V305-M307 HydrophobicContact CG1-CG 3.99Å; V305-M307 PolarHBondContact O-N 2.74Å; V305-M307 VanDerWaalsContact O-N 3.09Å; M307-S309 PolarHBondContact O-N 3.37Å; M307-L316 HydrophobicContact CE-CD1 3.77Å; M307-Y319 HydrophobicContact CB-CE2 3.96Å; M307-Y319 HydrophobicContact CE-CD1 4.48Å; M307-Y319 HydrophobicContact CE-CD2 3.63Å; M307-Y319 HydrophobicContact CE-CE2 4.33Å; M307-Y319 HydrophobicContact CE-CG 3.71Å; M307-Y319 HydrophobicContact CG-CD2 3.83Å; M307-Y319 HydrophobicContact CG-CE1 4.41Å; M307-Y319 HydrophobicContact CG-CE2 3.54Å; M307-Y319 HydrophobicContact CG-CG 4.38Å; M307-Y319 HydrophobicContact SD-CD2 3.63Å; M307-Y319 HydrophobicContact SD-CE2 3.87Å; M307-Y319 HydrophobicContact SD-CG 4.31Å; M307-V433 HydrophobicContact SD-CG1 3.95Å
308	R	25	Very low	33.4	Very low	208 Å²	208	104.4 Å²	104.4	79%	0.785	49%	0.488	S	S	*	.			trans	-69	121.2	177.9	-77.1	-173.6	176.2	177.1	-0.8	111	F306 H310	F306-R308 PolarHBondContact O-N 2.82Å; R308-H310 PolarHBondContact O-N 2.86Å
309	S	26.8	Very low	33.5	Very low	91 Å²	91	96.1 Å²	96.1	64%	0.636	46%	0.457	S	S	*	.			trans	-77	62.3	172.6	65.6	0	0	0	0	112.3	M307 R311	M307-S309 PolarHBondContact O-N 3.37Å; S309-R311 PolarHBondContact O-N 2.76Å
310	H	25.7	Very low	33.4	Very low	160 Å²	160	95.6 Å²	95.6	74%	0.741	46%	0.457	S	S	*	.	S	Bend	trans	-90.1	90.4	167.8	-110.3	-66.4	0	0	0	109.2	R308 S312	R308-H310 PolarHBondContact O-N 2.86Å; H310-S312 PolarHBondContact O-N 3.33Å
311	R	31	Very low	33.3	Very low	259 Å²	259	96.1 Å²	96.1	98%	0.977	46%	0.462	S	S	*	.	S	Bend	trans	43	-2.7	168.4	-86.6	-172.8	177.5	179	-0.3	120.1	S309	S309-R311 PolarHBondContact O-N 2.76Å
312	S	31.9	Very low	33.1	Very low	63 Å²	63	96.6 Å²	96.6	44%	0.441	46%	0.46	S	S	.	.	S	Bend	trans	-102	107.8	168.8	70.3	0	0	0	0	107	H310 R314	H310-S312 PolarHBondContact O-N 3.33Å; S312-R314 VanDerWaalsContact C-N 3.3Å; S312-R314 PolarHBondContact O-N 3.48Å
313	R	28.3	Very low	33	Very low	250 Å²	250	98.4 Å²	98.4	94%	0.943	47%	0.47	S	S	*	.			trans	-53.4	93.4	166.9	-73.5	172.9	161.7	171.9	-6.8	108.1
314	R	30.8	Very low	33.4	Very low	139 Å²	139	101.2 Å²	101.2	53%	0.525	48%	0.482	S	S	.	.			trans	-119	104.5	171.9	-65.1	-166.2	-171.5	-160.1	0.9	107.8	S312 F318	S312-R314 VanDerWaalsContact C-N 3.3Å; S312-R314 PolarHBondContact O-N 3.48Å; R314-F318 HydrophobicContact CB-CB 4.02Å; R314-F318 HydrophobicContact CB-CD1 4.04Å; R314-F318 HydrophobicContact CB-CG 4.02Å; R314-F318 HydrophobicContact CG-CD1 4.42Å; R314-F318 HydrophobicContact CG-CG 4.3Å
315	S	35.5	Very low	33.7	Very low	70 Å²	70	102.4 Å²	102.4	49%	0.49	49%	0.492	S	S	.	.			trans	-63.9	163	179.1	43.7	0	0	0	0	112	S317 F318	S315-S317 PolarHBondContact O-N 2.95Å; S315-S317 PolarHBondContact OG-OG 2.72Å; S315-F318 VanDerWaalsContact O-CB 3.27Å; S315-F318 WeakPolarHBondContact O-CB 3.34Å; S315-F318 PolarHBondContact O-N 2.84Å
316	L	36.1	Very low	34.2	Very low	44 Å²	44	102.1 Å²	102.1	23%	0.23	49%	0.491	C	S	.	.	H	α-helix	trans	-45.8	-35.2	168.3	-179.7	64.1	0	0	0	112.2	M307 F318 Y319 M320 L431 V433	M307-L316 HydrophobicContact CE-CD1 3.77Å; L316-F318 VanDerWaalsContact C-N 3.27Å; L316-F318 PolarHBondContact O-N 3.24Å; L316-Y319 PolarHBondContact O-N 3.44Å; L316-Y319 VanDerWaalsContact O-N 3.08Å; L316-M320 HydrophobicContact CD1-CG 4.24Å; L316-M320 HydrophobicContact CD1-SD 4.46Å; L316-M320 HydrophobicContact CD2-SD 4.22Å; L316-M320 HydrophobicContact CG-CG 4.15Å; L316-M320 HydrophobicContact CG-SD 3.92Å; L316-M320 WeakPolarHBondContact O-CG 3.3Å; L316-M320 PolarHBondContact O-N 3.45Å; L316-L431 HydrophobicContact CD2-CD2 4.41Å; L316-V433 HydrophobicContact CB-CG2 4.23Å
317	S	36	Very low	34.8	Very low	68 Å²	68	96.2 Å²	96.2	48%	0.476	47%	0.468	S	S	.	.	H	α-helix	trans	-57.8	-34.3	174.7	64.9	0	0	0	0	113.4	S315 S321	S315-S317 PolarHBondContact O-N 2.95Å; S315-S317 PolarHBondContact OG-OG 2.72Å; S317-S321 WeakPolarHBondContact O-CB 3.4Å; S317-S321 PolarHBondContact O-N 3.11Å; S317-S321 PolarHBondContact O-OG 3.11Å
318	F	37.2	Very low	35.6	Very low	63 Å²	63	95.7 Å²	95.7	28%	0.276	47%	0.466	S	S	.	.	H	α-helix	trans	-64.9	-43.3	173.9	177.3	-96.6	0	0	0	111.7	R314 S315 L316 S321 N322	R314-F318 HydrophobicContact CB-CB 4.02Å; R314-F318 HydrophobicContact CB-CD1 4.04Å; R314-F318 HydrophobicContact CB-CG 4.02Å; R314-F318 HydrophobicContact CG-CD1 4.42Å; R314-F318 HydrophobicContact CG-CG 4.3Å; S315-F318 VanDerWaalsContact O-CB 3.27Å; S315-F318 WeakPolarHBondContact O-CB 3.34Å; S315-F318 PolarHBondContact O-N 2.84Å; L316-F318 VanDerWaalsContact C-N 3.27Å; L316-F318 PolarHBondContact O-N 3.24Å; F318-S321 PolarHBondContact O-N 2.89Å; F318-S321 PolarHBondContact O-OG 3.27Å; F318-N322 WeakPolarHBondContact CE1-ND2 3.16Å; F318-N322 WeakPolarHBondContact CZ-ND2 3.18Å; F318-N322 PolarHBondContact O-N 3.39Å; F318-N322 PolarHBondContact O-ND2 3.05Å
319	Y	38	Very low	36.5	Very low	56 Å²	56	86 Å²	86	22%	0.22	43%	0.43	C	S	.	.	H	α-helix	trans	-72.7	-42.2	179.8	-73.9	-80.2	0	0	0	112.1	V305 M307 L316 S321 N322 L323	V305-Y319 HydrophobicContact CG1-CD1 3.84Å; V305-Y319 HydrophobicContact CG1-CE1 4.25Å; V305-Y319 HydrophobicContact CG1-CG 4.23Å; M307-Y319 HydrophobicContact CB-CE2 3.96Å; M307-Y319 HydrophobicContact CE-CD1 4.48Å; M307-Y319 HydrophobicContact CE-CD2 3.63Å; M307-Y319 HydrophobicContact CE-CE2 4.33Å; M307-Y319 HydrophobicContact CE-CG 3.71Å; M307-Y319 HydrophobicContact CG-CD2 3.83Å; M307-Y319 HydrophobicContact CG-CE1 4.41Å; M307-Y319 HydrophobicContact CG-CE2 3.54Å; M307-Y319 HydrophobicContact CG-CG 4.38Å; M307-Y319 HydrophobicContact SD-CD2 3.63Å; M307-Y319 HydrophobicContact SD-CE2 3.87Å; M307-Y319 HydrophobicContact SD-CG 4.31Å; L316-Y319 PolarHBondContact O-N 3.44Å; L316-Y319 VanDerWaalsContact O-N 3.08Å; Y319-S321 PolarHBondContact O-N 3.18Å; Y319-N322 PolarHBondContact O-N 3.32Å; Y319-N322 VanDerWaalsContact O-N 3.14Å; Y319-L323 WeakPolarHBondContact O-CB 3.35Å; Y319-L323 WeakPolarHBondContact O-CG 3.45Å; Y319-L323 PolarHBondContact O-N 3.05Å
320	M	37.5	Very low	37.5	Very low	77 Å²	77	82.5 Å²	82.5	38%	0.379	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-28.5	171.7	-64.9	-175.3	87.1	0	0	112.1	L316 L328 I365	L316-M320 HydrophobicContact CD1-CG 4.24Å; L316-M320 HydrophobicContact CD1-SD 4.46Å; L316-M320 HydrophobicContact CD2-SD 4.22Å; L316-M320 HydrophobicContact CG-CG 4.15Å; L316-M320 HydrophobicContact CG-SD 3.92Å; L316-M320 WeakPolarHBondContact O-CG 3.3Å; L316-M320 PolarHBondContact O-N 3.45Å; M320-L328 HydrophobicContact CE-CD1 4.12Å; M320-L328 HydrophobicContact CG-CD1 4.3Å; M320-L328 HydrophobicContact SD-CD1 4.48Å; M320-I365 HydrophobicContact CE-CD1 3.37Å
321	S	37.5	Very low	38.4	Very low	46 Å²	46	75.7 Å²	75.7	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-72.9	-24.5	175.4	80.3	0	0	0	0	114.3	S317 F318 Y319	S317-S321 WeakPolarHBondContact O-CB 3.4Å; S317-S321 PolarHBondContact O-N 3.11Å; S317-S321 PolarHBondContact O-OG 3.11Å; F318-S321 PolarHBondContact O-N 2.89Å; F318-S321 PolarHBondContact O-OG 3.27Å; Y319-S321 PolarHBondContact O-N 3.18Å
322	N	34.2	Very low	38.9	Very low	94 Å²	94	64.9 Å²	64.9	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-101	-28.3	-179.3	-75.5	-35.6	0	0	0	113.1	F318 Y319 D324	F318-N322 WeakPolarHBondContact CE1-ND2 3.16Å; F318-N322 WeakPolarHBondContact CZ-ND2 3.18Å; F318-N322 PolarHBondContact O-N 3.39Å; F318-N322 PolarHBondContact O-ND2 3.05Å; Y319-N322 PolarHBondContact O-N 3.32Å; Y319-N322 VanDerWaalsContact O-N 3.14Å; N322-D324 PolarHBondContact O-N 3.5Å
323	L	36.7	Very low	39.5	Very low	46 Å²	46	67.1 Å²	67.1	24%	0.241	34%	0.339	C	S	.	.	S	Bend	trans	-79.4	73.1	169.4	-69.3	170.6	0	0	0	107.6	V305 Y319 T325 L328	V305-L323 HydrophobicContact CG2-CD1 4.11Å; Y319-L323 WeakPolarHBondContact O-CB 3.35Å; Y319-L323 WeakPolarHBondContact O-CG 3.45Å; Y319-L323 PolarHBondContact O-N 3.05Å; L323-T325 PolarHBondContact O-N 2.91Å; L323-L328 HydrophobicContact CD1-CD2 4.14Å
324	D	42.6	Very low	40.2	Very low	116 Å²	116	57.5 Å²	57.5	62%	0.62	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	74.6	-178.6	-77.3	-37	0	0	0	113.1	N322	N322-D324 PolarHBondContact O-N 3.5Å
325	T	43.4	Very low	40.7	Very low	78 Å²	78	59.2 Å²	59.2	48%	0.479	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	16	173.7	76.2	0	0	0	0	118.6	L323 A568	L323-T325 PolarHBondContact O-N 2.91Å; T325-A568 HydrophobicContact CG2-CB 3.4Å
326	S	41.3	Very low	41	Very low	21 Å²	21	63.2 Å²	63.2	15%	0.147	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-81.4	135.9	175.9	49.2	0	0	0	0	113.1	L328 F505	S326-L328 PolarHBondContact O-N 2.71Å; S326-F505 WeakPolarHBondContact CB-O 3.46Å; S326-F505 PolarHBondContact OG-O 3.44Å
327	P	44.4	Very low	41.2	Very low	31 Å²	31	66.4 Å²	66.4	20%	0.201	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-60.6	140.2	173.1	22.3	-29.7	0	0	0	110.6	F329 F343 F358 F505	P327-F329 HydrophobicContact CG-CE2 4.37Å; P327-F343 HydrophobicContact CB-CD1 4.24Å; P327-F343 HydrophobicContact CB-CE1 4.35Å; P327-F358 HydrophobicContact CB-CD2 4.27Å; P327-F358 HydrophobicContact CB-CE2 3.81Å; P327-F358 HydrophobicContact CG-CD2 4.46Å; P327-F358 HydrophobicContact CG-CE2 4.06Å; P327-F505 HydrophobicContact CG-CB 4.4Å
328	L	47.4	Very low	41.5	Very low	30 Å²	30	67.6 Å²	67.6	16%	0.157	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.8	173.7	-64.4	172.6	0	0	0	109.1	M320 L323 S326 V502 Y503	M320-L328 HydrophobicContact CE-CD1 4.12Å; M320-L328 HydrophobicContact CG-CD1 4.3Å; M320-L328 HydrophobicContact SD-CD1 4.48Å; L323-L328 HydrophobicContact CD1-CD2 4.14Å; S326-L328 PolarHBondContact O-N 2.71Å; L328-V502 HydrophobicContact CB-CG1 4.14Å; L328-V502 HydrophobicContact CD1-CG1 4.49Å; L328-V502 HydrophobicContact CD2-CG1 3.87Å; L328-V502 HydrophobicContact CG-CG1 4.39Å; L328-Y503 WeakPolarHBondContact CA-O 3.03Å
329	F	44.6	Very low	42	Very low	4 Å²	4	71.4 Å²	71.4	2%	0.018	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.1	174.3	-63.7	-102.9	0	0	0	109.2	L285 F288 I302 P327 F343 V502 Y503 F505	L285-F329 HydrophobicContact CD2-CD1 4.09Å; L285-F329 HydrophobicContact CD2-CE1 3.92Å; F288-F329 HydrophobicContact CD2-CE1 4.05Å; F288-F329 HydrophobicContact CE2-CE1 4.07Å; F288-F329 HydrophobicContact CE2-CZ 4.33Å; F288-F329 HydrophobicContact CZ-CZ 4.36Å; I302-F329 HydrophobicContact CG2-CD2 4.28Å; P327-F329 HydrophobicContact CG-CE2 4.37Å; F329-F343 AromaticContact CD1-CD1 3.99Å; F329-F343 HydrophobicContact CD1-CD1 3.99Å; F329-F343 AromaticContact CD1-CE1 3.59Å; F329-F343 HydrophobicContact CD1-CE1 3.59Å; F329-F343 AromaticContact CD1-CZ 3.92Å; F329-F343 HydrophobicContact CD1-CZ 3.92Å; F329-F343 HydrophobicContact CD2-CE1 4.47Å; F329-F343 AromaticContact CE1-CD1 3.89Å; F329-F343 HydrophobicContact CE1-CD1 3.89Å; F329-F343 AromaticContact CE1-CE1 3.02Å; F329-F343 HydrophobicContact CE1-CE1 3.02Å; F329-F343 HydrophobicContact CE1-CE2 4.11Å; F329-F343 AromaticContact CE1-CZ 3.16Å; F329-F343 HydrophobicContact CE1-CZ 3.16Å; F329-F343 AromaticContact CE2-CE1 3.99Å; F329-F343 HydrophobicContact CE2-CE1 3.99Å; F329-F343 HydrophobicContact CG-CD1 4.49Å; F329-F343 HydrophobicContact CG-CE1 4.3Å; F329-F343 HydrophobicContact CZ-CD1 4.25Å; F329-F343 AromaticContact CZ-CE1 3.26Å; F329-F343 HydrophobicContact CZ-CE1 3.26Å; F329-F343 AromaticContact CZ-CZ 3.68Å; F329-F343 HydrophobicContact CZ-CZ 3.68Å; F329-V502 CarbonylContact O-C 3.53Å; F329-V502 WeakPolarHBondContact O-CA 3.09Å; F329-Y503 PolarHBondContact N-O 2.86Å; F329-Y503 PolarHBondContact O-N 3.45Å; F329-F505 HydrophobicContact CE2-CB 4.09Å; F329-F505 AromaticContact CE2-CD2 3.83Å; F329-F505 HydrophobicContact CE2-CD2 3.83Å; F329-F505 HydrophobicContact CE2-CG 4.31Å; F329-F505 HydrophobicContact CZ-CD2 4.08Å
330	L	47.1	Very low	42.7	Very low	17 Å²	17	73.9 Å²	73.9	9%	0.089	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.2	173.2	-67	167.5	0	0	0	108.3	R342 L344 L354 I438 W500 Q501 V502	L330-R342 PolarHBondContact N-O 3.33Å; L330-R342 PolarHBondContact O-N 3.23Å; L330-L344 HydrophobicContact CD1-CB 4.18Å; L330-L344 HydrophobicContact CD1-CD1 3.98Å; L330-L354 HydrophobicContact CD1-CD2 3.55Å; L330-I438 HydrophobicContact CD2-CD1 4.39Å; L330-W500 HydrophobicContact CB-CD2 4.4Å; L330-W500 HydrophobicContact CB-CE3 3.67Å; L330-W500 HydrophobicContact CB-CZ3 4.22Å; L330-W500 HydrophobicContact CD2-CB 4.32Å; L330-Q501 WeakPolarHBondContact CA-O 3.34Å; L330-V502 HydrophobicContact CD2-CB 4.46Å; L330-V502 HydrophobicContact CD2-CG2 3.75Å
331	T	44.3	Very low	43.4	Very low	18 Å²	18	71 Å²	71	11%	0.11	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.6	172.8	54.2	0	0	0	0	110.2	A341 W500 Q501 Y503	T331-A341 HydrophobicContact CG2-CB 3.73Å; T331-W500 CarbonylContact O-C 3.57Å; T331-W500 VanDerWaalsContact O-CA 3.29Å; T331-W500 WeakPolarHBondContact O-CA 3.38Å; T331-Q501 PolarHBondContact N-O 2.8Å; T331-Q501 PolarHBondContact O-N 3.24Å; T331-Y503 HydrophobicContact CG2-CD2 4.35Å; T331-Y503 HydrophobicContact CG2-CE2 4.28Å; T331-Y503 VanDerWaalsContact OG1-CE2 3.26Å; T331-Y503 WeakPolarHBondContact OG1-CE2 3.45Å
332	P	42.7	Very low	44.2	Very low	32 Å²	32	69.8 Å²	69.8	21%	0.208	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144	178.4	27.3	-30.4	0	0	0	110.7	T499 W500	P332-T499 CarbonylContact C-O 3.56Å; P332-T499 WeakPolarHBondContact CA-O 3.12Å; P332-W500 HydrophobicContact CB-CE3 4.21Å; P332-W500 HydrophobicContact CB-CH2 4.07Å; P332-W500 HydrophobicContact CB-CZ2 4.35Å; P332-W500 HydrophobicContact CB-CZ3 4.03Å; P332-W500 VanDerWaalsContact CD-CZ3 3.48Å; P332-W500 HydrophobicContact CG-CH2 4.31Å; P332-W500 HydrophobicContact CG-CZ3 4.13Å
333	F	43.2	Very low	44.9	Very low	110 Å²	110	65.9 Å²	65.9	48%	0.482	35%	0.35	S	S	.	.			trans	-78.3	-20.2	-177.7	-160.9	-85	0	0	0	113	Q335 A498 T499 Q501	F333-Q335 PolarHBondContact O-N 3.16Å; F333-Q335 VanDerWaalsContact O-N 3.14Å; F333-A498 WeakPolarHBondContact CB-O 3.37Å; F333-T499 PolarHBondContact N-O 3.14Å; F333-Q501 HydrophobicContact CD2-CG 3.97Å; F333-Q501 HydrophobicContact CE2-CG 4.47Å
334	A	44	Very low	45.5	Very low	48 Å²	48	66.3 Å²	66.3	40%	0.397	35%	0.352	S	S	.	.			trans	-56.4	117.5	-173.7	0	0	0	0	0	112.1	N336	A334-N336 PolarHBondContact O-N 3.13Å; A334-N336 VanDerWaalsContact O-N 3.16Å
335	Q	41.8	Very low	45.8	Very low	175 Å²	175	60.8 Å²	60.8	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	-176.7	-70.8	179.8	-7.4	0	0	113.8	F333	F333-Q335 PolarHBondContact O-N 3.16Å; F333-Q335 VanDerWaalsContact O-N 3.14Å
336	N	41.1	Very low	45.9	Very low	153 Å²	153	59.4 Å²	59.4	82%	0.818	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	4.7	-171.1	-70.7	-12.1	0	0	0	115.4	A334	A334-N336 PolarHBondContact O-N 3.13Å; A334-N336 VanDerWaalsContact O-N 3.16Å
337	H	40.5	Very low	45.9	Very low	112 Å²	112	60 Å²	60	52%	0.519	31%	0.313	S	S	.	.	S	Bend	trans	-107.9	141.1	176.6	-69.9	-42.2	0	0	0	111.5	M339	H337-M339 PolarHBondContact O-N 3.15Å
338	P	42.7	Very low	45.7	Very low	92 Å²	92	65.5 Å²	65.5	60%	0.597	34%	0.341	S	S	*	.			trans	-60.5	103.5	-179	24.3	-32.2	0	0	0	109.1	K340	P338-K340 PolarHBondContact O-N 3.25Å
339	M	46.6	Very low	45.3	Very low	143 Å²	143	69.6 Å²	69.6	70%	0.704	36%	0.363	S	S	*	.			trans	-48.3	92.3	-175.4	-70.9	-177.7	166.6	0	0	112	H337	H337-M339 PolarHBondContact O-N 3.15Å
340	K	52.6	Low	44.8	Very low	109 Å²	109	69.8 Å²	69.8	47%	0.474	37%	0.366	S	S	.	.			trans	-101.9	97.2	170	-72.3	176.1	-174.6	167.5	0	107.9	P338 R342	P338-K340 PolarHBondContact O-N 3.25Å; K340-R342 WeakPolarHBondContact O-CG 3.17Å; K340-R342 PolarHBondContact O-NE 3.15Å
341	A	52.7	Low	44.4	Very low	17 Å²	17	71.2 Å²	71.2	14%	0.14	38%	0.376	C	S	.	.			trans	-50.4	139.4	168.4	0	0	0	0	0	109.9	L285 T331	L285-A341 WeakPolarHBondContact CD1-O 3.27Å; L285-A341 HydrophobicContact CD2-CB 4.03Å; T331-A341 HydrophobicContact CG2-CB 3.73Å
342	R	53.4	Low	44.3	Very low	20 Å²	20	71.7 Å²	71.7	8%	0.075	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.5	179.2	-56.5	-60.7	176.8	119.8	5.3	109.6	L330 K340 L354 K356 W500	L330-R342 PolarHBondContact N-O 3.33Å; L330-R342 PolarHBondContact O-N 3.23Å; K340-R342 WeakPolarHBondContact O-CG 3.17Å; K340-R342 PolarHBondContact O-NE 3.15Å; R342-L354 HydrophobicContact CB-CB 4.32Å; R342-L354 HydrophobicContact CB-CD2 4.44Å; R342-K356 VanDerWaalsContact NH1-CG 3.31Å; R342-W500 HydrophobicContact CG-CZ3 4.41Å
343	F	50.7	Low	44.6	Very low	11 Å²	11	74.9 Å²	74.9	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.7	174.2	-64.1	-86.9	0	0	0	109.9	L285 P327 F329 L354 V355 F358	L285-F343 HydrophobicContact CD1-CD2 4.45Å; L285-F343 HydrophobicContact CD1-CE2 4.17Å; L285-F343 HydrophobicContact CD2-CD2 4.03Å; L285-F343 HydrophobicContact CD2-CE2 3.32Å; L285-F343 HydrophobicContact CD2-CZ 3.73Å; L285-F343 HydrophobicContact CG-CD2 4.41Å; L285-F343 HydrophobicContact CG-CE2 3.67Å; L285-F343 HydrophobicContact CG-CZ 4.42Å; P327-F343 HydrophobicContact CB-CD1 4.24Å; P327-F343 HydrophobicContact CB-CE1 4.35Å; F329-F343 AromaticContact CD1-CD1 3.99Å; F329-F343 HydrophobicContact CD1-CD1 3.99Å; F329-F343 AromaticContact CD1-CE1 3.59Å; F329-F343 HydrophobicContact CD1-CE1 3.59Å; F329-F343 AromaticContact CD1-CZ 3.92Å; F329-F343 HydrophobicContact CD1-CZ 3.92Å; F329-F343 HydrophobicContact CD2-CE1 4.47Å; F329-F343 AromaticContact CE1-CD1 3.89Å; F329-F343 HydrophobicContact CE1-CD1 3.89Å; F329-F343 AromaticContact CE1-CE1 3.02Å; F329-F343 HydrophobicContact CE1-CE1 3.02Å; F329-F343 HydrophobicContact CE1-CE2 4.11Å; F329-F343 AromaticContact CE1-CZ 3.16Å; F329-F343 HydrophobicContact CE1-CZ 3.16Å; F329-F343 AromaticContact CE2-CE1 3.99Å; F329-F343 HydrophobicContact CE2-CE1 3.99Å; F329-F343 HydrophobicContact CG-CD1 4.49Å; F329-F343 HydrophobicContact CG-CE1 4.3Å; F329-F343 HydrophobicContact CZ-CD1 4.25Å; F329-F343 AromaticContact CZ-CE1 3.26Å; F329-F343 HydrophobicContact CZ-CE1 3.26Å; F329-F343 AromaticContact CZ-CZ 3.68Å; F329-F343 HydrophobicContact CZ-CZ 3.68Å; F343-L354 CarbonylContact O-C 3.54Å; F343-L354 WeakPolarHBondContact O-CA 3.41Å; F343-V355 HydrophobicContact CB-CG2 3.81Å; F343-V355 PolarHBondContact N-O 3.27Å; F343-V355 PolarHBondContact O-N 3.46Å; F343-F358 HydrophobicContact CD1-CD2 4.49Å; F343-F358 HydrophobicContact CE1-CD2 4.47Å
344	L	49.3	Very low	45	Very low	56 Å²	56	70.3 Å²	70.3	29%	0.293	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122	168	-168.7	71.3	0	0	0	109.1	L330 I352 L354	L330-L344 HydrophobicContact CD1-CB 4.18Å; L330-L344 HydrophobicContact CD1-CD1 3.98Å; L344-I352 HydrophobicContact CD1-CG2 3.43Å; L344-I352 VanDerWaalsContact CD1-CG2 3.43Å; L344-I352 HydrophobicContact CG-CG2 4.09Å; L344-L354 HydrophobicContact CD1-CD2 4.11Å
345	S	48.2	Very low	45.4	Very low	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.8	174.4	-173.5	0	0	0	0	111.2	I352 K353 S362 A363	S345-I352 CarbonylContact O-C 3.34Å; S345-I352 WeakPolarHBondContact O-CA 3.37Å; S345-K353 WeakPolarHBondContact CA-O 3.5Å; S345-K353 WeakPolarHBondContact CB-O 3.36Å; S345-K353 PolarHBondContact N-O 3.32Å; S345-K353 PolarHBondContact O-N 3.16Å; S345-S362 PolarHBondContact OG-OG 2.91Å; S345-A363 WeakPolarHBondContact OG-CA 3.47Å; S345-A363 VanDerWaalsContact OG-CB 3.32Å; S345-A363 WeakPolarHBondContact OG-CB 2.87Å; S345-A363 PolarHBondContact OG-N 2.88Å
346	I	45.1	Very low	45.9	Very low	48 Å²	48	64.5 Å²	64.5	25%	0.246	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	102.1	176.7	-53.6	178.5	0	0	0	107.9	T351 I352 S362 T415	I346-T351 CarbonylContact C-O 3.4Å; I346-T351 WeakPolarHBondContact CA-O 3.49Å; I346-I352 HydrophobicContact CG1-CG1 4.34Å; I346-S362 CarbonylContact C-O 3.58Å; I346-S362 CarbonylContact O-C 3.44Å; I346-T415 HydrophobicContact CG2-CG2 4.3Å
347	D	42.5	Very low	46.4	Very low	33 Å²	33	58.7 Å²	58.7	18%	0.176	30%	0.303	C	S	.	.			trans	-60.4	157.6	178	-71.2	-18.4	0	0	0	111.9	N349 G350 T351 K353 S362	D347-N349 WeakPolarHBondContact CB-OD1 3.39Å; D347-N349 PolarHBondContact O-N 3.3Å; D347-G350 WeakPolarHBondContact O-CA 2.91Å; D347-G350 PolarHBondContact O-N 3.13Å; D347-T351 WeakPolarHBondContact CB-OG1 3.49Å; D347-T351 PolarHBondContact N-O 3.12Å; D347-T351 PolarHBondContact OD2-OG1 3.4Å; D347-K353 WeakPolarHBondContact OD2-CE 3.41Å; D347-K353 IonicContact OD2-NZ 2.66Å; D347-K353 PolarHBondContact OD2-NZ 3.01Å; D347-S362 WeakPolarHBondContact OD1-CB 3.23Å; D347-S362 PolarHBondContact OD1-OG 3.19Å
348	N	39.7	Very low	46.7	Very low	147 Å²	147	57 Å²	57	79%	0.786	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.3	-179.9	-69.3	-17.6	0	0	0	113.3	G350	N348-G350 PolarHBondContact O-N 3.39Å
349	N	38.1	Very low	46.6	Very low	117 Å²	117	59 Å²	59	63%	0.626	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	3	173.9	67	-1.7	0	0	0	113.3	D347 T351	D347-N349 WeakPolarHBondContact CB-OD1 3.39Å; D347-N349 PolarHBondContact O-N 3.3Å; N349-T351 WeakPolarHBondContact OD1-CB 3.31Å; N349-T351 WeakPolarHBondContact OD1-CG2 3.36Å; N349-T351 PolarHBondContact OD1-N 3.27Å; N349-T351 PolarHBondContact OD1-OG1 3.46Å
350	G	33.5	Very low	46.4	Very low	8 Å²	8	56.1 Å²	56.1	8%	0.082	28%	0.281	C	S	.	.	S	Bend	trans	84	3.9	-179.9	0	0	0	0	0	115.3	D347 N348 T415	D347-G350 WeakPolarHBondContact O-CA 2.91Å; D347-G350 PolarHBondContact O-N 3.13Å; N348-G350 PolarHBondContact O-N 3.39Å; G350-T415 WeakPolarHBondContact CA-OG1 3.41Å; G350-T415 PolarHBondContact O-N 3.16Å; G350-T415 PolarHBondContact O-OG1 2.94Å
351	T	39.8	Very low	45.7	Very low	47 Å²	47	55.9 Å²	55.9	29%	0.288	29%	0.289	S	S	.	.			trans	-76.6	139.6	177.2	59.5	0	0	0	0	111.8	I346 D347 N349	I346-T351 CarbonylContact C-O 3.4Å; I346-T351 WeakPolarHBondContact CA-O 3.49Å; D347-T351 WeakPolarHBondContact CB-OG1 3.49Å; D347-T351 PolarHBondContact N-O 3.12Å; D347-T351 PolarHBondContact OD2-OG1 3.4Å; N349-T351 WeakPolarHBondContact OD1-CB 3.31Å; N349-T351 WeakPolarHBondContact OD1-CG2 3.36Å; N349-T351 PolarHBondContact OD1-N 3.27Å; N349-T351 PolarHBondContact OD1-OG1 3.46Å
352	I	42.9	Very low	44.8	Very low	27 Å²	27	56.5 Å²	56.5	14%	0.138	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.5	-176.9	-54	-177.3	0	0	0	109.7	L344 S345 I346 I405 V413 T415 I485	L344-I352 HydrophobicContact CD1-CG2 3.43Å; L344-I352 VanDerWaalsContact CD1-CG2 3.43Å; L344-I352 HydrophobicContact CG-CG2 4.09Å; S345-I352 CarbonylContact O-C 3.34Å; S345-I352 WeakPolarHBondContact O-CA 3.37Å; I346-I352 HydrophobicContact CG1-CG1 4.34Å; I352-I405 HydrophobicContact CD1-CB 4.47Å; I352-I405 HydrophobicContact CD1-CD1 3.91Å; I352-I405 HydrophobicContact CD1-CG1 3.99Å; I352-I405 HydrophobicContact CD1-CG2 3.62Å; I352-V413 HydrophobicContact CD1-CG1 3.87Å; I352-V413 HydrophobicContact CG1-CG1 4.48Å; I352-T415 HydrophobicContact CD1-CG2 4.27Å; I352-I485 HydrophobicContact CG2-CD1 4.17Å
353	K	48.7	Very low	43.9	Very low	99 Å²	99	56.3 Å²	56.3	43%	0.43	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.4	179.6	-68.2	174.5	-175.6	155	0	111.8	S345 D347	S345-K353 WeakPolarHBondContact CA-O 3.5Å; S345-K353 WeakPolarHBondContact CB-O 3.36Å; S345-K353 PolarHBondContact N-O 3.32Å; S345-K353 PolarHBondContact O-N 3.16Å; D347-K353 WeakPolarHBondContact OD2-CE 3.41Å; D347-K353 IonicContact OD2-NZ 2.66Å; D347-K353 PolarHBondContact OD2-NZ 3.01Å
354	L	50.1	Low	43.1	Very low	14 Å²	14	57.6 Å²	57.6	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.6	172.4	-68	172.9	0	0	0	109.9	L330 R342 F343 L344 Y483 I485 W500	L330-L354 HydrophobicContact CD1-CD2 3.55Å; R342-L354 HydrophobicContact CB-CB 4.32Å; R342-L354 HydrophobicContact CB-CD2 4.44Å; F343-L354 CarbonylContact O-C 3.54Å; F343-L354 WeakPolarHBondContact O-CA 3.41Å; L344-L354 HydrophobicContact CD1-CD2 4.11Å; L354-Y483 WeakPolarHBondContact O-CB 3.28Å; L354-Y483 WeakPolarHBondContact O-CD1 3.07Å; L354-I485 HydrophobicContact CD1-CG1 4.15Å; L354-I485 HydrophobicContact CG-CD1 4.22Å; L354-I485 HydrophobicContact CG-CG1 4.18Å; L354-W500 HydrophobicContact CD1-CH2 4.39Å; L354-W500 HydrophobicContact CD1-CZ2 4.37Å
355	V	52.4	Low	42.4	Very low	11 Å²	11	59 Å²	59	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149	-175	-59.9	0	0	0	0	112.2	F343 S357 D360	F343-V355 HydrophobicContact CB-CG2 3.81Å; F343-V355 PolarHBondContact N-O 3.27Å; F343-V355 PolarHBondContact O-N 3.46Å; V355-S357 VanDerWaalsContact C-N 3.31Å; V355-S357 WeakPolarHBondContact CG2-O 3.31Å; V355-D360 HydrophobicContact CB-CB 4.29Å; V355-D360 WeakPolarHBondContact CB-OD2 3.42Å; V355-D360 HydrophobicContact CG1-CB 3.95Å; V355-D360 WeakPolarHBondContact CG1-OD2 3.44Å; V355-D360 HydrophobicContact CG2-CB 4.34Å
356	K	52.9	Low	41.6	Very low	91 Å²	91	60.8 Å²	60.8	40%	0.396	32%	0.32	S	S	.	.	S	Bend	trans	-79.2	-10.6	177.8	-81.5	172.5	-176.1	166.3	0	113.2	L285 R342 Y483	L285-K356 HydrophobicContact CD1-CB 4.41Å; L285-K356 WeakPolarHBondContact CD1-O 2.96Å; L285-K356 WeakPolarHBondContact CG-O 3.11Å; R342-K356 VanDerWaalsContact NH1-CG 3.31Å; K356-Y483 HydrophobicContact CD-CE1 4.18Å; K356-Y483 WeakPolarHBondContact CD-OH 3.49Å; K356-Y483 WeakPolarHBondContact CE-OH 3.38Å; K356-Y483 HydrophobicContact CG-CE1 4.06Å; K356-Y483 PolarHBondContact NZ-OH 2.86Å
357	S	51.1	Low	40.9	Very low	30 Å²	30	61.4 Å²	61.4	21%	0.21	32%	0.324	C	S	.	.	S	Bend	trans	-153.6	156.8	-178.1	78.1	0	0	0	0	110.6	V355 K359	V355-S357 VanDerWaalsContact C-N 3.31Å; V355-S357 WeakPolarHBondContact CG2-O 3.31Å; S357-K359 PolarHBondContact O-N 3.35Å; S357-K359 VanDerWaalsContact OG-CB 3.28Å; S357-K359 WeakPolarHBondContact OG-CB 3.34Å; S357-K359 WeakPolarHBondContact OG-CG 3.46Å; S357-K359 PolarHBondContact OG-N 3.33Å
358	F	46.9	Very low	40.3	Very low	77 Å²	77	60 Å²	60	34%	0.338	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	0.3	173.4	-154.6	-102.7	0	0	0	113.3	P327 F343 D360 L364	P327-F358 HydrophobicContact CB-CD2 4.27Å; P327-F358 HydrophobicContact CB-CE2 3.81Å; P327-F358 HydrophobicContact CG-CD2 4.46Å; P327-F358 HydrophobicContact CG-CE2 4.06Å; F343-F358 HydrophobicContact CD1-CD2 4.49Å; F343-F358 HydrophobicContact CE1-CD2 4.47Å; F358-D360 VanDerWaalsContact C-N 3.3Å; F358-D360 PolarHBondContact O-N 3.46Å; F358-L364 HydrophobicContact CE1-CD1 3.98Å; F358-L364 HydrophobicContact CE1-CD2 3.98Å; F358-L364 HydrophobicContact CE1-CG 3.98Å; F358-L364 HydrophobicContact CE2-CD2 4.43Å; F358-L364 HydrophobicContact CZ-CD1 4.19Å; F358-L364 HydrophobicContact CZ-CD2 3.42Å; F358-L364 VanDerWaalsContact CZ-CD2 3.42Å; F358-L364 HydrophobicContact CZ-CG 3.66Å
359	K	41.5	Very low	39.9	Very low	135 Å²	135	54.6 Å²	54.6	59%	0.587	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.2	178.4	-68.3	-176.3	174.7	-179.7	0	113.1	S357 T361	S357-K359 PolarHBondContact O-N 3.35Å; S357-K359 VanDerWaalsContact OG-CB 3.28Å; S357-K359 WeakPolarHBondContact OG-CB 3.34Å; S357-K359 WeakPolarHBondContact OG-CG 3.46Å; S357-K359 PolarHBondContact OG-N 3.33Å; K359-T361 PolarHBondContact O-N 2.84Å
360	D	41.8	Very low	39.4	Very low	81 Å²	81	51.5 Å²	51.5	43%	0.433	27%	0.27	S	S	.	.	S	Bend	trans	-77	80.2	174.1	-65.6	-28.5	0	0	0	107.5	V355 F358 S362 A363	V355-D360 HydrophobicContact CB-CB 4.29Å; V355-D360 WeakPolarHBondContact CB-OD2 3.42Å; V355-D360 HydrophobicContact CG1-CB 3.95Å; V355-D360 WeakPolarHBondContact CG1-OD2 3.44Å; V355-D360 HydrophobicContact CG2-CB 4.34Å; F358-D360 VanDerWaalsContact C-N 3.3Å; F358-D360 PolarHBondContact O-N 3.46Å; D360-S362 PolarHBondContact O-N 2.99Å; D360-A363 WeakPolarHBondContact O-CB 3.5Å; D360-A363 PolarHBondContact O-N 2.94Å
361	T	38.1	Very low	39.5	Very low	105 Å²	105	52.2 Å²	52.2	64%	0.644	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-60.9	-7.1	-171.2	37.8	0	0	0	0	114.5	K359 A363	K359-T361 PolarHBondContact O-N 2.84Å; T361-A363 PolarHBondContact O-N 3.31Å
362	S	34.9	Very low	39.2	Very low	29 Å²	29	56.3 Å²	56.3	20%	0.203	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-54.8	-28.9	162.9	34.5	0	0	0	0	112.3	S345 I346 D347 D360 L364	S345-S362 PolarHBondContact OG-OG 2.91Å; I346-S362 CarbonylContact C-O 3.58Å; I346-S362 CarbonylContact O-C 3.44Å; D347-S362 WeakPolarHBondContact OD1-CB 3.23Å; D347-S362 PolarHBondContact OD1-OG 3.19Å; D360-S362 PolarHBondContact O-N 2.99Å; S362-L364 PolarHBondContact O-N 3.23Å
363	A	33.1	Very low	38.7	Very low	16 Å²	16	60 Å²	60	13%	0.132	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-66.2	-7.9	-173.9	0	0	0	0	0	116.7	S345 D360 T361 I365	S345-A363 WeakPolarHBondContact OG-CA 3.47Å; S345-A363 VanDerWaalsContact OG-CB 3.32Å; S345-A363 WeakPolarHBondContact OG-CB 2.87Å; S345-A363 PolarHBondContact OG-N 2.88Å; D360-A363 WeakPolarHBondContact O-CB 3.5Å; D360-A363 PolarHBondContact O-N 2.94Å; T361-A363 PolarHBondContact O-N 3.31Å; A363-I365 PolarHBondContact O-N 3.5Å
364	L	35.2	Very low	38	Very low	38 Å²	38	59.3 Å²	59.3	20%	0.199	31%	0.311	C	S	.	.	S	Bend	trans	-84.2	115	-176	-85	159	0	0	0	110.4	F358 S362 T366 P567 Y569	F358-L364 HydrophobicContact CE1-CD1 3.98Å; F358-L364 HydrophobicContact CE1-CD2 3.98Å; F358-L364 HydrophobicContact CE1-CG 3.98Å; F358-L364 HydrophobicContact CE2-CD2 4.43Å; F358-L364 HydrophobicContact CZ-CD1 4.19Å; F358-L364 HydrophobicContact CZ-CD2 3.42Å; F358-L364 VanDerWaalsContact CZ-CD2 3.42Å; F358-L364 HydrophobicContact CZ-CG 3.66Å; S362-L364 PolarHBondContact O-N 3.23Å; L364-T366 WeakPolarHBondContact O-CG2 3.42Å; L364-T366 PolarHBondContact O-N 3.34Å; L364-P567 HydrophobicContact CB-CB 4.34Å; L364-P567 HydrophobicContact CD1-CB 4.3Å; L364-P567 HydrophobicContact CD1-CG 4.4Å; L364-P567 HydrophobicContact CD2-CB 4.38Å; L364-Y569 HydrophobicContact CD1-CE1 4.05Å; L364-Y569 HydrophobicContact CD2-CD1 4.1Å; L364-Y569 HydrophobicContact CD2-CE1 4.33Å
365	I	34.8	Very low	37.5	Very low	85 Å²	85	63.3 Å²	63.3	44%	0.436	34%	0.336	S	S	.	.			trans	-51.5	104.8	168.5	-59.3	169	0	0	0	108.3	M320 A363 A568	M320-I365 HydrophobicContact CE-CD1 3.37Å; A363-I365 PolarHBondContact O-N 3.5Å; I365-A568 PolarHBondContact O-N 3.43Å
366	T	30.4	Very low	36.8	Very low	38 Å²	38	68.9 Å²	68.9	23%	0.233	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138	176	56.7	0	0	0	0	108.7	L364 K401 A566	L364-T366 WeakPolarHBondContact O-CG2 3.42Å; L364-T366 PolarHBondContact O-N 3.34Å; T366-K401 WeakPolarHBondContact O-CE 3.26Å; T366-K401 PolarHBondContact O-NZ 3.27Å; T366-A566 CarbonylContact C-O 3.58Å; T366-A566 VanDerWaalsContact CA-O 3.28Å; T366-A566 WeakPolarHBondContact CA-O 3.33Å
367	I	31.3	Very low	35.9	Very low	62 Å²	62	68 Å²	68	32%	0.318	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.2	170.9	-58	172	0	0	0	106.2	I369 A566 A568 F571	I367-I369 HydrophobicContact CG2-CG1 4.45Å; I367-A566 PolarHBondContact N-O 3.47Å; I367-A566 PolarHBondContact O-N 3.14Å; I367-A568 HydrophobicContact CD1-CB 3.84Å; I367-A568 HydrophobicContact CG1-CB 4.24Å; I367-F571 HydrophobicContact CB-CD2 3.9Å; I367-F571 HydrophobicContact CB-CE2 3.6Å; I367-F571 HydrophobicContact CB-CZ 4.46Å; I367-F571 HydrophobicContact CD1-CD2 4.19Å; I367-F571 HydrophobicContact CG1-CD2 4.45Å; I367-F571 HydrophobicContact CG2-CE2 4.26Å; I367-F571 VanDerWaalsContact O-CE2 3.26Å; I367-F571 WeakPolarHBondContact O-CE2 3.41Å; I367-F571 WeakPolarHBondContact O-CZ 3.47Å
368	S	28.6	Very low	35.4	Very low	3 Å²	3	71.8 Å²	71.8	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.8	178.3	-35.4	0	0	0	0	107.9	K401 L564 E565	S368-K401 WeakPolarHBondContact OG-CE 3.45Å; S368-K401 PolarHBondContact OG-NZ 3.39Å; S368-L564 CarbonylContact C-O 3.59Å; S368-L564 VanDerWaalsContact CA-O 3.31Å; S368-L564 WeakPolarHBondContact CA-O 3.48Å; S368-E565 WeakPolarHBondContact CB-OE1 3.44Å; S368-E565 PolarHBondContact OG-OE1 3.17Å
369	I	31.5	Very low	35	Very low	34 Å²	34	73.8 Å²	73.8	17%	0.174	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.2	174.5	-58	-170	0	0	0	108.3	I367 L396 L564 F571	I367-I369 HydrophobicContact CG2-CG1 4.45Å; I369-L396 HydrophobicContact CD1-CD2 3.7Å; I369-L564 PolarHBondContact N-O 3.1Å; I369-L564 PolarHBondContact O-N 3.42Å; I369-F571 HydrophobicContact CD1-CD1 3.58Å; I369-F571 HydrophobicContact CD1-CE1 3.1Å; I369-F571 HydrophobicContact CD1-CZ 3.7Å; I369-F571 HydrophobicContact CG1-CE1 3.73Å; I369-F571 HydrophobicContact CG1-CZ 3.78Å
370	I	28.7	Very low	35	Very low	51 Å²	51	72.1 Å²	72.1	26%	0.262	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.1	173.8	-56.6	166.2	0	0	0	106.7	I556 M561 L562 V563	I370-I556 HydrophobicContact CD1-CD1 4.1Å; I370-I556 HydrophobicContact CG2-CD1 4.06Å; I370-M561 HydrophobicContact CG2-CB 3.58Å; I370-M561 HydrophobicContact CG2-CG 4.23Å; I370-M561 HydrophobicContact CG2-SD 3.63Å; I370-L562 WeakPolarHBondContact CA-O 2.99Å; I370-V563 HydrophobicContact CG1-CG2 4.21Å
371	A	34.7	Very low	34.9	Very low	23 Å²	23	70.1 Å²	70.1	19%	0.19	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.1	176.1	0	0	0	0	0	109.9	W373 L562	A371-W373 PolarHBondContact O-N 3.01Å; A371-L562 PolarHBondContact N-O 3.13Å; A371-L562 PolarHBondContact O-N 2.85Å
372	E	33.2	Very low	34.7	Very low	134 Å²	134	66.3 Å²	66.3	63%	0.626	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.7	173.4	-168.5	175.8	-176.5	0	0	109.5	S374 Q559	E372-S374 PolarHBondContact O-N 3.39Å; E372-Q559 PolarHBondContact OE1-NE2 2.83Å
373	W	32.6	Very low	34.9	Very low	104 Å²	104	69 Å²	69	39%	0.394	37%	0.374	S	S	.	.			trans	-83.6	115.2	-177.2	-171.9	45.1	0	0	0	109.8	A371 T375 K560	A371-W373 PolarHBondContact O-N 3.01Å; W373-T375 HydrophobicContact CD2-CG2 4.06Å; W373-T375 HydrophobicContact CE3-CG2 3.83Å; W373-T375 HydrophobicContact CH2-CG2 3.52Å; W373-T375 HydrophobicContact CZ2-CG2 3.74Å; W373-T375 HydrophobicContact CZ3-CG2 3.56Å; W373-K560 WeakPolarHBondContact CB-O 3.25Å; W373-K560 HydrophobicContact CE3-CB 4.42Å
374	S	35.4	Very low	35.2	Very low	85 Å²	85	75.1 Å²	75.1	59%	0.594	40%	0.398	S	S	*	.			trans	-96.8	112.7	166.5	58.4	0	0	0	0	109.8	E372	E372-S374 PolarHBondContact O-N 3.39Å
375	T	38.9	Very low	35.1	Very low	97 Å²	97	76 Å²	76	60%	0.595	40%	0.402	S	S	*	.	S	Bend	trans	-70.1	141.8	171.2	37	0	0	0	0	110.2	W373	W373-T375 HydrophobicContact CD2-CG2 4.06Å; W373-T375 HydrophobicContact CE3-CG2 3.83Å; W373-T375 HydrophobicContact CH2-CG2 3.52Å; W373-T375 HydrophobicContact CZ2-CG2 3.74Å; W373-T375 HydrophobicContact CZ3-CG2 3.56Å
376	P	38.1	Very low	35	Very low	128 Å²	128	75.2 Å²	75.2	83%	0.831	40%	0.399	S	S	*	.	S	Bend	cis	-115.6	93.7	3.7	35.1	-17.1	0	0	0	110.5
377	M	32.4	Very low	35.2	Very low	74 Å²	74	80.6 Å²	80.6	37%	0.365	42%	0.419	S	S	.	.			trans	-123.2	124.8	171.1	-82.3	-172.6	149.6	0	0	111.2	L385	M377-L385 HydrophobicContact CE-CD1 3.43Å; M377-L385 VanDerWaalsContact CE-CD1 3.43Å; M377-L385 HydrophobicContact CE-CD2 3.99Å; M377-L385 HydrophobicContact CE-CG 4.36Å; M377-L385 HydrophobicContact SD-CD1 3.36Å; M377-L385 WeakPolarHBondContact SD-CD1 3.35Å; M377-L385 HydrophobicContact SD-CD2 3.65Å; M377-L385 HydrophobicContact SD-CG 4.08Å
378	N	42.3	Very low	35	Very low	109 Å²	109	80.2 Å²	80.2	58%	0.583	42%	0.42	S	S	*	.			trans	-58.1	143.4	172.6	176	1.9	0	0	0	110	D380 S381 L382	N378-D380 VanDerWaalsContact C-N 3.27Å; N378-D380 PolarHBondContact O-N 3.42Å; N378-S381 WeakPolarHBondContact CB-OG 3.5Å; N378-S381 PolarHBondContact N-OG 3.24Å; N378-S381 CarbonylContact O-C 3.5Å; N378-S381 WeakPolarHBondContact O-CA 3.43Å; N378-S381 VanDerWaalsContact O-CB 3.28Å; N378-S381 WeakPolarHBondContact O-CB 3.45Å; N378-S381 PolarHBondContact O-N 3.49Å; N378-S381 PolarHBondContact O-OG 2.68Å; N378-L382 PolarHBondContact O-N 2.99Å
379	K	37.7	Very low	35	Very low	118 Å²	118	88 Å²	88	51%	0.513	45%	0.449	S	S	.	.	H	α-helix	trans	-48	-41	-178.8	-171.5	179.3	177.8	-176.6	0	113.4	L382 L383	K379-L382 WeakPolarHBondContact O-CB 3.48Å; K379-L382 PolarHBondContact O-N 3.02Å; K379-L382 VanDerWaalsContact O-N 3.12Å; K379-L383 PolarHBondContact O-N 2.96Å
380	D	41.6	Very low	34.9	Very low	100 Å²	100	92.5 Å²	92.5	54%	0.535	47%	0.473	S	S	.	.	H	α-helix	trans	-67.7	-38.6	177.3	-70.8	-20.4	0	0	0	112.5	N378 L382 K384	N378-D380 VanDerWaalsContact C-N 3.27Å; N378-D380 PolarHBondContact O-N 3.42Å; D380-L382 VanDerWaalsContact C-N 3.33Å; D380-K384 WeakPolarHBondContact O-CB 3.28Å; D380-K384 WeakPolarHBondContact O-CG 3.38Å; D380-K384 PolarHBondContact O-N 3.32Å
381	S	38.8	Very low	34.8	Very low	39 Å²	39	93.8 Å²	93.8	27%	0.273	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-39.9	169.5	3.5	0	0	0	0	110.5	N378 K384 L385	N378-S381 WeakPolarHBondContact CB-OG 3.5Å; N378-S381 PolarHBondContact N-OG 3.24Å; N378-S381 CarbonylContact O-C 3.5Å; N378-S381 WeakPolarHBondContact O-CA 3.43Å; N378-S381 VanDerWaalsContact O-CB 3.28Å; N378-S381 WeakPolarHBondContact O-CB 3.45Å; N378-S381 PolarHBondContact O-N 3.49Å; N378-S381 PolarHBondContact O-OG 2.68Å; S381-K384 CarbonylContact O-C 3.58Å; S381-K384 WeakPolarHBondContact O-CA 3.33Å; S381-K384 WeakPolarHBondContact O-CB 3.44Å; S381-K384 PolarHBondContact O-N 3.47Å; S381-K384 VanDerWaalsContact O-N 3.14Å; S381-L385 WeakPolarHBondContact O-CA 3.32Å; S381-L385 WeakPolarHBondContact O-CB 3.44Å; S381-L385 WeakPolarHBondContact O-CD1 3.17Å; S381-L385 PolarHBondContact O-N 2.92Å
382	L	35	Very low	34.4	Very low	26 Å²	26	95.6 Å²	95.6	14%	0.136	51%	0.511	C	S	.	.	H	α-helix	trans	-66.1	-41.2	179.3	-149.6	142.7	0	0	0	111.7	N378 K379 D380 K384 L385 L386	N378-L382 PolarHBondContact O-N 2.99Å; K379-L382 WeakPolarHBondContact O-CB 3.48Å; K379-L382 PolarHBondContact O-N 3.02Å; K379-L382 VanDerWaalsContact O-N 3.12Å; D380-L382 VanDerWaalsContact C-N 3.33Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 2.92Å; L382-L385 CarbonylContact O-C 3.57Å; L382-L385 WeakPolarHBondContact O-CA 3.4Å; L382-L385 PolarHBondContact O-N 2.99Å; L382-L385 VanDerWaalsContact O-N 3.07Å; L382-L386 WeakPolarHBondContact O-CG 3.28Å; L382-L386 PolarHBondContact O-N 3.35Å
383	L	38	Very low	33.9	Very low	84 Å²	84	100.4 Å²	100.4	44%	0.44	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-37.7	169.9	-76.2	164.8	0	0	0	112	K379 L386 L564	K379-L383 PolarHBondContact O-N 2.96Å; L383-L386 HydrophobicContact CD2-CD1 4.32Å; L383-L564 HydrophobicContact CD2-CD2 4.21Å
384	K	39.8	Very low	33.7	Very low	146 Å²	146	99.1 Å²	99.1	64%	0.635	53%	0.526	S	S	*	.	H	α-helix	trans	-71.4	-26.4	170.4	-72.9	174.3	-179.4	173.6	0	113.3	D380 S381 L382 K387	D380-K384 WeakPolarHBondContact O-CB 3.28Å; D380-K384 WeakPolarHBondContact O-CG 3.38Å; D380-K384 PolarHBondContact O-N 3.32Å; S381-K384 CarbonylContact O-C 3.58Å; S381-K384 WeakPolarHBondContact O-CA 3.33Å; S381-K384 WeakPolarHBondContact O-CB 3.44Å; S381-K384 PolarHBondContact O-N 3.47Å; S381-K384 VanDerWaalsContact O-N 3.14Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 2.92Å; K384-K387 WeakPolarHBondContact O-CB 3.28Å; K384-K387 WeakPolarHBondContact O-CD 3.41Å; K384-K387 VanDerWaalsContact O-CG 3.23Å; K384-K387 WeakPolarHBondContact O-CG 3.43Å
385	L	32.7	Very low	33.1	Very low	55 Å²	55	100.6 Å²	100.6	29%	0.288	53%	0.527	S	S	.	.	H	α-helix	trans	-92.2	-11.2	-179.3	-97.5	111.1	0	0	0	114.2	M377 S381 L382 K387	M377-L385 HydrophobicContact CE-CD1 3.43Å; M377-L385 VanDerWaalsContact CE-CD1 3.43Å; M377-L385 HydrophobicContact CE-CD2 3.99Å; M377-L385 HydrophobicContact CE-CG 4.36Å; M377-L385 HydrophobicContact SD-CD1 3.36Å; M377-L385 WeakPolarHBondContact SD-CD1 3.35Å; M377-L385 HydrophobicContact SD-CD2 3.65Å; M377-L385 HydrophobicContact SD-CG 4.08Å; S381-L385 WeakPolarHBondContact O-CA 3.32Å; S381-L385 WeakPolarHBondContact O-CB 3.44Å; S381-L385 WeakPolarHBondContact O-CD1 3.17Å; S381-L385 PolarHBondContact O-N 2.92Å; L382-L385 CarbonylContact O-C 3.57Å; L382-L385 WeakPolarHBondContact O-CA 3.4Å; L382-L385 PolarHBondContact O-N 2.99Å; L382-L385 VanDerWaalsContact O-N 3.07Å; L385-K387 CarbonylContact O-C 3.55Å; L385-K387 PolarHBondContact O-N 3.05Å
386	L	33.6	Very low	32.5	Very low	70 Å²	70	101.2 Å²	101.2	37%	0.366	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	0.9	161.3	-73.7	166.8	0	0	0	111.9	L382 L383 P388 L564	L382-L386 WeakPolarHBondContact O-CG 3.28Å; L382-L386 PolarHBondContact O-N 3.35Å; L383-L386 HydrophobicContact CD2-CD1 4.32Å; L386-P388 WeakPolarHBondContact O-CD 3.36Å; L386-P388 VanDerWaalsContact O-N 3.13Å; L386-L564 HydrophobicContact CD1-CD1 3.53Å
387	K	34	Very low	31.8	Very low	151 Å²	151	103.8 Å²	103.8	66%	0.657	52%	0.519	S	S	*	.	S	Bend	trans	-57.1	104	147.3	-74.1	179.9	-176.7	180	0	107.8	K384 L385 R389	K384-K387 WeakPolarHBondContact O-CB 3.28Å; K384-K387 WeakPolarHBondContact O-CD 3.41Å; K384-K387 VanDerWaalsContact O-CG 3.23Å; K384-K387 WeakPolarHBondContact O-CG 3.43Å; L385-K387 CarbonylContact O-C 3.55Å; L385-K387 PolarHBondContact O-N 3.05Å; K387-R389 PolarHBondContact O-N 3.35Å
388	P	28.3	Very low	31.6	Very low	53 Å²	53	108.1 Å²	108.1	34%	0.344	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-50.5	120.5	-174.7	19.8	-31.7	0	0	0	110.1	L386 A578 K581	L386-P388 WeakPolarHBondContact O-CD 3.36Å; L386-P388 VanDerWaalsContact O-N 3.13Å; P388-A578 HydrophobicContact CG-CB 4.17Å; P388-K581 PolarHBondContact O-NZ 3.32Å
389	R	27.2	Very low	30.9	Very low	168 Å²	168	108 Å²	108	63%	0.634	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-73.4	142.4	170.3	-100.6	-173.5	174	-175.1	-1.2	108.2	K387 G391 S392	K387-R389 PolarHBondContact O-N 3.35Å; R389-G391 PolarHBondContact O-N 3.22Å; R389-S392 PolarHBondContact N-OG 3.11Å; R389-S392 PolarHBondContact O-N 2.87Å; R389-S392 VanDerWaalsContact O-N 3.09Å; R389-S392 PolarHBondContact O-OG 2.86Å
390	D	30.7	Very low	30.8	Very low	127 Å²	127	105.1 Å²	105.1	68%	0.679	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.8	174.6	-65.9	-35.7	0	0	0	109.6	S392	D390-S392 VanDerWaalsContact C-N 3.28Å; D390-S392 PolarHBondContact O-N 3.2Å
391	G	26.2	Very low	30.7	Very low	79 Å²	79	102.9 Å²	102.9	81%	0.814	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-12.9	-178.7	0	0	0	0	0	116	R389 R393	R389-G391 PolarHBondContact O-N 3.22Å; G391-R393 PolarHBondContact O-N 3.38Å
392	S	25.1	Very low	30.5	Very low	60 Å²	60	104.9 Å²	104.9	42%	0.42	52%	0.521	S	S	.	.			trans	-67.8	104.5	169.4	61.2	0	0	0	0	108.9	R389 D390 V394	R389-S392 PolarHBondContact N-OG 3.11Å; R389-S392 PolarHBondContact O-N 2.87Å; R389-S392 VanDerWaalsContact O-N 3.09Å; R389-S392 PolarHBondContact O-OG 2.86Å; D390-S392 VanDerWaalsContact C-N 3.28Å; D390-S392 PolarHBondContact O-N 3.2Å; S392-V394 PolarHBondContact O-N 2.92Å
393	R	23.9	Very low	30.7	Very low	235 Å²	235	107.1 Å²	107.1	89%	0.887	53%	0.533	S	S	*	.			trans	-67	85	165.4	-72.7	-176.4	-179.9	-177.6	0.8	106.1	G391 I395	G391-R393 PolarHBondContact O-N 3.38Å; R393-I395 PolarHBondContact O-N 3.36Å
394	V	27.1	Very low	30.8	Very low	77 Å²	77	104.1 Å²	104.1	47%	0.467	52%	0.519	S	S	.	.			trans	-58.8	101.4	156.1	-174.2	0	0	0	0	103.5	S392 L396	S392-V394 PolarHBondContact O-N 2.92Å; V394-L396 HydrophobicContact CB-CG 4.46Å; V394-L396 HydrophobicContact CG1-CD1 4.49Å; V394-L396 HydrophobicContact CG1-CD2 4.18Å; V394-L396 HydrophobicContact CG1-CG 3.74Å; V394-L396 PolarHBondContact O-N 2.97Å
395	I	24.5	Very low	30.8	Very low	117 Å²	117	98.6 Å²	98.6	60%	0.6	50%	0.496	S	S	*	.			trans	-68.7	80	167.6	-61.2	173.4	0	0	0	103.8	R393 R397	R393-I395 PolarHBondContact O-N 3.36Å; I395-R397 HydrophobicContact CG2-CB 4.12Å; I395-R397 HydrophobicContact CG2-CG 3.56Å; I395-R397 PolarHBondContact O-N 3.33Å
396	L	25.7	Very low	31.2	Very low	110 Å²	110	96 Å²	96	58%	0.576	48%	0.482	S	S	*	.			trans	-67.4	70.7	158.5	-75	165.7	0	0	0	105.1	I369 V394 K398	I369-L396 HydrophobicContact CD1-CD2 3.7Å; V394-L396 HydrophobicContact CB-CG 4.46Å; V394-L396 HydrophobicContact CG1-CD1 4.49Å; V394-L396 HydrophobicContact CG1-CD2 4.18Å; V394-L396 HydrophobicContact CG1-CG 3.74Å; V394-L396 PolarHBondContact O-N 2.97Å; L396-K398 PolarHBondContact O-N 3.47Å
397	R	23.5	Very low	31.4	Very low	181 Å²	181	93 Å²	93	68%	0.683	47%	0.466	S	S	*	.			trans	-62.1	103.8	156.5	-93.6	172.6	-172.3	-164.4	3.7	103.3	I395 F399	I395-R397 HydrophobicContact CG2-CB 4.12Å; I395-R397 HydrophobicContact CG2-CG 3.56Å; I395-R397 PolarHBondContact O-N 3.33Å; R397-F399 HydrophobicContact CB-CD2 4.02Å; R397-F399 HydrophobicContact CB-CE2 3.72Å; R397-F399 HydrophobicContact CB-CZ 4.09Å; R397-F399 WeakPolarHBondContact O-CD2 3.25Å; R397-F399 PolarHBondContact O-N 2.92Å
398	K	27.3	Very low	31.8	Very low	166 Å²	166	90.5 Å²	90.5	72%	0.722	46%	0.457	S	S	*	.			trans	-59.4	83	160.1	-174.8	-178.5	-179	179.2	0	104.7	L396 A400	L396-K398 PolarHBondContact O-N 3.47Å; K398-A400 HydrophobicContact CG-CB 4.43Å; K398-A400 PolarHBondContact O-N 2.93Å
399	F	28.1	Very low	32.4	Very low	106 Å²	106	93.6 Å²	93.6	47%	0.465	47%	0.47	S	S	.	.			trans	-65.4	84.9	153.3	-63.3	-77.5	0	0	0	102.7	R397 K401	R397-F399 HydrophobicContact CB-CD2 4.02Å; R397-F399 HydrophobicContact CB-CE2 3.72Å; R397-F399 HydrophobicContact CB-CZ 4.09Å; R397-F399 WeakPolarHBondContact O-CD2 3.25Å; R397-F399 PolarHBondContact O-N 2.92Å; F399-K401 PolarHBondContact O-N 3.43Å
400	A	36.8	Very low	33.1	Very low	57 Å²	57	90.9 Å²	90.9	47%	0.471	47%	0.468	S	S	.	.			trans	-56.4	92.7	156.4	0	0	0	0	0	102.5	K398 N402	K398-A400 HydrophobicContact CG-CB 4.43Å; K398-A400 PolarHBondContact O-N 2.93Å; A400-N402 PolarHBondContact O-N 3.48Å
401	K	39.3	Very low	33.2	Very low	54 Å²	54	86 Å²	86	24%	0.235	45%	0.447	C	S	.	.			trans	-58.7	109	-167.6	-69.1	-178.1	171.2	-177.8	0	105.3	T366 S368 F399 I403	T366-K401 WeakPolarHBondContact O-CE 3.26Å; T366-K401 PolarHBondContact O-NZ 3.27Å; S368-K401 WeakPolarHBondContact OG-CE 3.45Å; S368-K401 PolarHBondContact OG-NZ 3.39Å; F399-K401 PolarHBondContact O-N 3.43Å; K401-I403 HydrophobicContact CB-CD1 4.07Å; K401-I403 HydrophobicContact CB-CG1 3.69Å; K401-I403 HydrophobicContact CD-CD1 4.13Å; K401-I403 HydrophobicContact CD-CG1 4.43Å; K401-I403 PolarHBondContact O-N 3.01Å
402	N	34.9	Very low	33.9	Very low	80 Å²	80	85.8 Å²	85.8	43%	0.428	43%	0.43	S	S	.	.			trans	-68.6	84	165.2	-64.2	-26.6	0	0	0	104	A400 I418	A400-N402 PolarHBondContact O-N 3.48Å; N402-I418 HydrophobicContact CB-CB 3.8Å; N402-I418 HydrophobicContact CB-CD1 3.37Å; N402-I418 HydrophobicContact CB-CG1 4.08Å; N402-I418 HydrophobicContact CB-CG2 4.19Å; N402-I418 WeakPolarHBondContact O-CB 3.46Å; N402-I418 VanDerWaalsContact O-CD1 3.3Å; N402-I418 WeakPolarHBondContact O-CD1 3.43Å; N402-I418 VanDerWaalsContact O-CG1 3.25Å; N402-I418 WeakPolarHBondContact O-CG1 3.33Å; N402-I418 PolarHBondContact O-N 2.94Å; N402-I418 VanDerWaalsContact O-N 3.12Å
403	I	37.6	Very low	34.5	Very low	73 Å²	73	84.7 Å²	84.7	37%	0.374	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.2	171.1	-59.7	175.7	0	0	0	104.5	K401 T415 E416	K401-I403 HydrophobicContact CB-CD1 4.07Å; K401-I403 HydrophobicContact CB-CG1 3.69Å; K401-I403 HydrophobicContact CD-CD1 4.13Å; K401-I403 HydrophobicContact CD-CG1 4.43Å; K401-I403 PolarHBondContact O-N 3.01Å; I403-T415 HydrophobicContact CG2-CG2 3.71Å; I403-E416 WeakPolarHBondContact CA-O 3.37Å
404	C	40.4	Very low	35.3	Very low	22 Å²	22	76.3 Å²	76.3	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.6	169.1	-152.2	0	0	0	0	107.5	T415 E416 I418 L423	C404-T415 CarbonylContact O-C 3.53Å; C404-T415 WeakPolarHBondContact O-CA 3.37Å; C404-E416 PolarHBondContact N-O 3.29Å; C404-E416 PolarHBondContact O-N 3.12Å; C404-I418 HydrophobicContact CB-CD1 4.3Å; C404-L423 HydrophobicContact CB-CD2 4.49Å
405	I	39.5	Very low	35.9	Very low	29 Å²	29	74.4 Å²	74.4	15%	0.149	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.1	168.8	-63.4	167.5	0	0	0	105.2	I352 V413 T415 L431 F440	I352-I405 HydrophobicContact CD1-CB 4.47Å; I352-I405 HydrophobicContact CD1-CD1 3.91Å; I352-I405 HydrophobicContact CD1-CG1 3.99Å; I352-I405 HydrophobicContact CD1-CG2 3.62Å; I405-V413 HydrophobicContact CG2-CG1 3.43Å; I405-V413 VanDerWaalsContact CG2-CG1 3.43Å; I405-T415 HydrophobicContact CG1-CG2 3.97Å; I405-L431 HydrophobicContact CB-CB 4.25Å; I405-L431 HydrophobicContact CB-CD2 4.36Å; I405-L431 HydrophobicContact CD1-CD2 3.75Å; I405-F440 HydrophobicContact CG2-CE1 4.03Å; I405-F440 HydrophobicContact CG2-CZ 3.86Å
406	C	40.9	Very low	36.5	Very low	1 Å²	1	70.9 Å²	70.9	1%	0.007	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.3	-175.9	-56.1	0	0	0	0	109.9	V413 Y414 C427	C406-V413 WeakPolarHBondContact O-CA 3.39Å; C406-Y414 HydrophobicContact CB-CE1 4.32Å; C406-Y414 HydrophobicContact CB-CE2 4.08Å; C406-Y414 PolarHBondContact N-O 3.29Å; C406-Y414 PolarHBondContact O-N 2.97Å; C406-C427 HydrophobicContact CB-CB 3.89Å; C406-C427 WeakPolarHBondContact CB-SG 3.22Å; C406-C427 WeakPolarHBondContact SG-CB 3.05Å; C406-C427 CovalentContact SG-SG 2.03Å; C406-C427 PolarHBondContact SG-SG 3.49Å
407	M	38.2	Very low	37.1	Very low	7 Å²	7	70.8 Å²	70.8	3%	0.034	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.5	175.3	-171	-179.7	72.1	0	0	108.5	T412 V413 W429 F440 P473	M407-T412 WeakPolarHBondContact CA-O 3.27Å; M407-V413 HydrophobicContact CB-CG2 4.33Å; M407-V413 HydrophobicContact CG-CG2 4.04Å; M407-V413 HydrophobicContact SD-CG2 4.4Å; M407-W429 HydrophobicContact CB-CB 4.09Å; M407-W429 HydrophobicContact CE-CB 4.46Å; M407-W429 HydrophobicContact CE-CD2 4.29Å; M407-W429 HydrophobicContact CE-CG 4.25Å; M407-W429 PolarHBondContact N-O 3.13Å; M407-F440 HydrophobicContact CB-CD1 4.04Å; M407-F440 HydrophobicContact CB-CE1 4.01Å; M407-F440 HydrophobicContact CB-CG 4.42Å; M407-F440 HydrophobicContact CB-CZ 4.35Å; M407-F440 HydrophobicContact SD-CD2 4.41Å; M407-P473 HydrophobicContact CE-CB 3.91Å; M407-P473 HydrophobicContact CE-CG 3.71Å
408	H	43.1	Very low	37.7	Very low	99 Å²	99	63.5 Å²	63.5	46%	0.458	33%	0.326	S	S	.	.			trans	-77.5	160.2	172.9	-150.6	-71.3	0	0	0	109.9	N410 G411 T412 Y414	H408-N410 WeakPolarHBondContact CB-OD1 3.38Å; H408-N410 PolarHBondContact O-N 3.07Å; H408-G411 PolarHBondContact O-N 2.82Å; H408-T412 PolarHBondContact N-O 3.1Å; H408-Y414 HydrophobicContact CB-CE1 4.02Å
409	L	40.1	Very low	38.1	Very low	117 Å²	117	61.2 Å²	61.2	61%	0.613	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-28.4	173.3	-77.8	158.3	0	0	0	114.5	G411 E428	L409-G411 PolarHBondContact O-N 3.43Å; L409-E428 WeakPolarHBondContact CG-OE2 3.43Å
410	N	42.6	Very low	38.5	Very low	112 Å²	112	63.1 Å²	63.1	60%	0.599	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	2.9	177.5	69.7	7.4	0	0	0	114	H408 T412	H408-N410 WeakPolarHBondContact CB-OD1 3.38Å; H408-N410 PolarHBondContact O-N 3.07Å; N410-T412 VanDerWaalsContact C-N 3.34Å; N410-T412 VanDerWaalsContact OD1-CB 3.3Å; N410-T412 WeakPolarHBondContact OD1-CB 3.5Å; N410-T412 WeakPolarHBondContact OD1-CG2 3.49Å; N410-T412 PolarHBondContact OD1-N 3.02Å; N410-T412 PolarHBondContact OD1-OG1 3.22Å
411	G	33.5	Very low	38.5	Very low	23 Å²	23	68.7 Å²	68.7	24%	0.237	35%	0.352	C	S	.	.	S	Bend	trans	82.8	0.2	-178.7	0	0	0	0	0	115.1	H408 L409 V413	H408-G411 PolarHBondContact O-N 2.82Å; L409-G411 PolarHBondContact O-N 3.43Å; G411-V413 PolarHBondContact O-N 3.07Å
412	T	40	Very low	38.1	Very low	76 Å²	76	70.8 Å²	70.8	47%	0.466	37%	0.369	S	S	.	.			trans	-73.8	127.6	176.9	56.6	0	0	0	0	111.1	M407 H408 N410	M407-T412 WeakPolarHBondContact CA-O 3.27Å; H408-T412 PolarHBondContact N-O 3.1Å; N410-T412 VanDerWaalsContact C-N 3.34Å; N410-T412 VanDerWaalsContact OD1-CB 3.3Å; N410-T412 WeakPolarHBondContact OD1-CB 3.5Å; N410-T412 WeakPolarHBondContact OD1-CG2 3.49Å; N410-T412 PolarHBondContact OD1-N 3.02Å; N410-T412 PolarHBondContact OD1-OG1 3.22Å
413	V	37.7	Very low	38	Very low	36 Å²	36	71.1 Å²	71.1	22%	0.218	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.3	179	-177.3	0	0	0	0	109.4	I352 I405 C406 M407 G411 F440	I352-V413 HydrophobicContact CD1-CG1 3.87Å; I352-V413 HydrophobicContact CG1-CG1 4.48Å; I405-V413 HydrophobicContact CG2-CG1 3.43Å; I405-V413 VanDerWaalsContact CG2-CG1 3.43Å; C406-V413 WeakPolarHBondContact O-CA 3.39Å; M407-V413 HydrophobicContact CB-CG2 4.33Å; M407-V413 HydrophobicContact CG-CG2 4.04Å; M407-V413 HydrophobicContact SD-CG2 4.4Å; G411-V413 PolarHBondContact O-N 3.07Å; V413-F440 HydrophobicContact CG1-CZ 3.91Å; V413-F440 HydrophobicContact CG2-CE2 4.3Å; V413-F440 HydrophobicContact CG2-CZ 4.12Å
414	Y	40.8	Very low	37.9	Very low	59 Å²	59	70.8 Å²	70.8	23%	0.231	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	167.4	179.1	59.7	-81.3	0	0	0	111.1	C406 H408 E416	C406-Y414 HydrophobicContact CB-CE1 4.32Å; C406-Y414 HydrophobicContact CB-CE2 4.08Å; C406-Y414 PolarHBondContact N-O 3.29Å; C406-Y414 PolarHBondContact O-N 2.97Å; H408-Y414 HydrophobicContact CB-CE1 4.02Å; Y414-E416 HydrophobicContact CD2-CG 3.83Å; Y414-E416 HydrophobicContact CE2-CG 3.52Å
415	T	39.8	Very low	37.8	Very low	37 Å²	37	77.3 Å²	77.3	23%	0.227	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.5	177.5	46	0	0	0	0	110.2	I346 G350 I352 I403 C404 I405	I346-T415 HydrophobicContact CG2-CG2 4.3Å; G350-T415 WeakPolarHBondContact CA-OG1 3.41Å; G350-T415 PolarHBondContact O-N 3.16Å; G350-T415 PolarHBondContact O-OG1 2.94Å; I352-T415 HydrophobicContact CD1-CG2 4.27Å; I403-T415 HydrophobicContact CG2-CG2 3.71Å; C404-T415 CarbonylContact O-C 3.53Å; C404-T415 WeakPolarHBondContact O-CA 3.37Å; I405-T415 HydrophobicContact CG1-CG2 3.97Å
416	E	36.9	Very low	37.8	Very low	44 Å²	44	81.7 Å²	81.7	21%	0.206	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.7	170.6	-72.6	-161.5	159.6	0	0	110.9	I403 C404 Y414 T424	I403-E416 WeakPolarHBondContact CA-O 3.37Å; C404-E416 PolarHBondContact N-O 3.29Å; C404-E416 PolarHBondContact O-N 3.12Å; Y414-E416 HydrophobicContact CD2-CG 3.83Å; Y414-E416 HydrophobicContact CE2-CG 3.52Å; E416-T424 PolarHBondContact OE2-OG1 3.42Å
417	R	38	Very low	37.8	Very low	107 Å²	107	82.1 Å²	82.1	40%	0.404	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.7	175.7	-176.6	178.5	179.7	173.9	-1.9	108.6	I419	R417-I419 PolarHBondContact O-N 2.75Å
418	I	37.2	Very low	38	Very low	29 Å²	29	85.9 Å²	85.9	15%	0.149	45%	0.449	C	S	.	.			trans	-68.3	117.1	176.6	-67.2	163	0	0	0	109.5	N402 C404 L423	N402-I418 HydrophobicContact CB-CB 3.8Å; N402-I418 HydrophobicContact CB-CD1 3.37Å; N402-I418 HydrophobicContact CB-CG1 4.08Å; N402-I418 HydrophobicContact CB-CG2 4.19Å; N402-I418 WeakPolarHBondContact O-CB 3.46Å; N402-I418 VanDerWaalsContact O-CD1 3.3Å; N402-I418 WeakPolarHBondContact O-CD1 3.43Å; N402-I418 VanDerWaalsContact O-CG1 3.25Å; N402-I418 WeakPolarHBondContact O-CG1 3.33Å; N402-I418 PolarHBondContact O-N 2.94Å; N402-I418 VanDerWaalsContact O-N 3.12Å; C404-I418 HydrophobicContact CB-CD1 4.3Å; I418-L423 HydrophobicContact CD1-CD1 4.5Å; I418-L423 HydrophobicContact CD1-CD2 4Å; I418-L423 HydrophobicContact CD1-CG 3.79Å; I418-L423 HydrophobicContact CG1-CG 4.31Å
419	I	34.7	Very low	37.8	Very low	117 Å²	117	82.2 Å²	82.2	60%	0.6	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-99	130.5	173.8	-59.3	173	0	0	0	107.1	R417 Q421 T422	R417-I419 PolarHBondContact O-N 2.75Å; I419-Q421 PolarHBondContact O-N 2.69Å; I419-T422 PolarHBondContact O-OG1 3.01Å
420	N	37.4	Very low	38	Very low	146 Å²	146	79.4 Å²	79.4	78%	0.781	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	29.9	176.6	-67	-15.9	0	0	0	117.5	T422	N420-T422 PolarHBondContact O-N 3.46Å
421	Q	35.9	Very low	38	Very low	175 Å²	175	76.2 Å²	76.2	82%	0.818	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	-6	179.7	-56.6	-179.3	-11.4	0	0	115.6	I419 L423	I419-Q421 PolarHBondContact O-N 2.69Å; Q421-L423 PolarHBondContact O-N 3.34Å
422	T	30.1	Very low	38.4	Very low	97 Å²	97	81.9 Å²	81.9	60%	0.595	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-74.8	106.3	164.6	39.6	0	0	0	0	107.6	I419 N420 T424	I419-T422 PolarHBondContact O-OG1 3.01Å; N420-T422 PolarHBondContact O-N 3.46Å; T422-T424 PolarHBondContact O-N 3.26Å
423	L	33.1	Very low	38.3	Very low	87 Å²	87	80.5 Å²	80.5	46%	0.455	40%	0.403	S	S	.	.			trans	-54.1	124.5	156.6	-87.1	122	0	0	0	105.9	C404 I418 Q421 D425	C404-L423 HydrophobicContact CB-CD2 4.49Å; I418-L423 HydrophobicContact CD1-CD1 4.5Å; I418-L423 HydrophobicContact CD1-CD2 4Å; I418-L423 HydrophobicContact CD1-CG 3.79Å; I418-L423 HydrophobicContact CG1-CG 4.31Å; Q421-L423 PolarHBondContact O-N 3.34Å; L423-D425 PolarHBondContact O-N 3.2Å
424	T	35.4	Very low	38.3	Very low	67 Å²	67	81.4 Å²	81.4	41%	0.411	41%	0.411	S	S	.	.			trans	-60	117.5	162.9	27	0	0	0	0	106	E416 T422 N426	E416-T424 PolarHBondContact OE2-OG1 3.42Å; T422-T424 PolarHBondContact O-N 3.26Å; T424-N426 PolarHBondContact O-N 2.72Å
425	D	38.1	Very low	38	Very low	159 Å²	159	86.9 Å²	86.9	85%	0.85	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	4	179.6	-67.4	-38.5	0	0	0	113.2	L423 C427	L423-D425 PolarHBondContact O-N 3.2Å; D425-C427 PolarHBondContact O-N 2.78Å
426	N	40.1	Very low	37.8	Very low	121 Å²	121	88 Å²	88	65%	0.647	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.1	179.8	-64.6	-2.7	0	0	0	113.8	T424 E428	T424-N426 PolarHBondContact O-N 2.72Å; N426-E428 PolarHBondContact O-N 2.92Å
427	C	41.3	Very low	37.7	Very low	9 Å²	9	86.6 Å²	86.6	6%	0.061	43%	0.431	C	S	.	.			trans	-88.1	94.1	176.2	-69.6	0	0	0	0	110.7	C406 D425 H430	C406-C427 HydrophobicContact CB-CB 3.89Å; C406-C427 WeakPolarHBondContact CB-SG 3.22Å; C406-C427 WeakPolarHBondContact SG-CB 3.05Å; C406-C427 CovalentContact SG-SG 2.03Å; C406-C427 PolarHBondContact SG-SG 3.49Å; D425-C427 PolarHBondContact O-N 2.78Å; C427-H430 WeakPolarHBondContact CB-NE2 3.49Å; C427-H430 PolarHBondContact O-CE1 2.86Å; C427-H430 PolarHBondContact O-NE2 3.3Å; C427-H430 VanDerWaalsContact O-NE2 3.13Å
428	E	42.4	Very low	37.8	Very low	86 Å²	86	84.1 Å²	84.1	40%	0.402	43%	0.425	S	S	.	.	S	Bend	trans	-62.9	-44.2	170.1	-79.1	177.2	-170.1	0	0	111.3	L409 N426 H442	L409-E428 WeakPolarHBondContact CG-OE2 3.43Å; N426-E428 PolarHBondContact O-N 2.92Å; E428-H442 VanDerWaalsContact C-CD2 3.46Å; E428-H442 PolarHBondContact O-CD2 3.45Å
429	W	39.2	Very low	37.9	Very low	23 Å²	23	83.4 Å²	83.4	9%	0.087	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.9	-173.2	-60.2	82.2	0	0	0	112.8	M407 F440 H442 P473 W489	M407-W429 HydrophobicContact CB-CB 4.09Å; M407-W429 HydrophobicContact CE-CB 4.46Å; M407-W429 HydrophobicContact CE-CD2 4.29Å; M407-W429 HydrophobicContact CE-CG 4.25Å; M407-W429 PolarHBondContact N-O 3.13Å; W429-F440 HydrophobicContact CB-CB 4.46Å; W429-F440 HydrophobicContact CB-CD1 4.46Å; W429-H442 HydrophobicContact CD2-CB 3.84Å; W429-H442 AromaticContact CE2-CD2 3.75Å; W429-H442 HydrophobicContact CE3-CB 3.58Å; W429-H442 HydrophobicContact CH2-CB 3.61Å; W429-H442 HydrophobicContact CZ2-CB 3.88Å; W429-H442 HydrophobicContact CZ3-CB 3.42Å; W429-H442 VanDerWaalsContact CZ3-CB 3.42Å; W429-H442 AromaticContact NE1-CD2 3.74Å; W429-P473 HydrophobicContact CD2-CG 4.27Å; W429-P473 HydrophobicContact CE3-CG 3.37Å; W429-P473 HydrophobicContact CH2-CG 4.13Å; W429-P473 HydrophobicContact CZ3-CG 3.32Å; W429-W489 HydrophobicContact CH2-CH2 4.29Å; W429-W489 AromaticContact CH2-CZ3 3.89Å; W429-W489 HydrophobicContact CH2-CZ3 3.89Å; W429-W489 HydrophobicContact CZ2-CH2 4.31Å; W429-W489 HydrophobicContact CZ2-CZ3 4.36Å
430	H	44.5	Very low	38.2	Very low	57 Å²	57	78.1 Å²	78.1	26%	0.264	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.1	-175.9	-64.2	137.1	0	0	0	113.2	C427 R432 F440 E441	C427-H430 WeakPolarHBondContact CB-NE2 3.49Å; C427-H430 PolarHBondContact O-CE1 2.86Å; C427-H430 PolarHBondContact O-NE2 3.3Å; C427-H430 VanDerWaalsContact O-NE2 3.13Å; H430-R432 PolarHBondContact O-N 3.43Å; H430-R432 VanDerWaalsContact O-N 3.11Å; H430-F440 CarbonylContact O-C 3.56Å; H430-F440 VanDerWaalsContact O-CA 3.27Å; H430-F440 WeakPolarHBondContact O-CA 3.34Å; H430-E441 PolarHBondContact N-O 3.46Å; H430-E441 PolarHBondContact O-N 3.08Å
431	L	42.9	Very low	38.4	Very low	46 Å²	46	74 Å²	74	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	109.1	173.3	-168.5	78.4	0	0	0	111.3	L316 I405 I438 G439 F440	L316-L431 HydrophobicContact CD2-CD2 4.41Å; I405-L431 HydrophobicContact CB-CB 4.25Å; I405-L431 HydrophobicContact CB-CD2 4.36Å; I405-L431 HydrophobicContact CD1-CD2 3.75Å; L431-I438 HydrophobicContact CD1-CG2 3.48Å; L431-I438 VanDerWaalsContact CD1-CG2 3.48Å; L431-I438 HydrophobicContact CD2-CG2 4.28Å; L431-I438 HydrophobicContact CG-CG2 3.97Å; L431-G439 CarbonylContact C-O 3.55Å; L431-F440 HydrophobicContact CB-CD1 4.17Å; L431-F440 HydrophobicContact CB-CE1 3.84Å; L431-F440 HydrophobicContact CB-CZ 4.27Å; L431-F440 HydrophobicContact CD1-CD1 4.34Å; L431-F440 HydrophobicContact CD1-CD2 4.02Å; L431-F440 HydrophobicContact CD1-CE1 3.95Å; L431-F440 HydrophobicContact CD1-CE2 3.59Å; L431-F440 HydrophobicContact CD1-CG 4.38Å; L431-F440 HydrophobicContact CD1-CZ 3.56Å
432	R	40.8	Very low	38.7	Very low	141 Å²	141	67.4 Å²	67.4	53%	0.532	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.7	170.5	-91.6	-130.8	-173.4	136.1	1.6	111.7	H430 G439 E441	H430-R432 PolarHBondContact O-N 3.43Å; H430-R432 VanDerWaalsContact O-N 3.11Å; R432-G439 PolarHBondContact N-O 2.91Å; R432-G439 PolarHBondContact O-N 3.42Å; R432-E441 WeakPolarHBondContact CD-OE2 3.28Å; R432-E441 HydrophobicContact CG-CB 4.32Å; R432-E441 WeakPolarHBondContact CG-OE2 3.45Å; R432-E441 IonicContact CZ-OE1 2.7Å; R432-E441 IonicContact CZ-OE2 3.8Å; R432-E441 IonicContact NE-OE2 2.74Å; R432-E441 PolarHBondContact NE-OE2 2.88Å; R432-E441 VanDerWaalsContact NE-OE2 3.13Å; R432-E441 IonicContact NH1-OE1 3.32Å; R432-E441 PolarHBondContact NH1-OE1 2.79Å; R432-E441 IonicContact NH1-OE2 2.95Å; R432-E441 PolarHBondContact NH1-OE2 3.11Å; R432-E441 IonicContact NH2-OE1 2.73Å; R432-E441 IonicContact NH2-OE2 2.88Å
433	V	39	Very low	39.3	Very low	48 Å²	48	70 Å²	70	29%	0.291	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.6	172.7	-172.3	0	0	0	0	108.2	M307 L316 I438	M307-V433 HydrophobicContact SD-CG1 3.95Å; L316-V433 HydrophobicContact CB-CG2 4.23Å; V433-I438 HydrophobicContact CG1-CG1 4.22Å; V433-I438 HydrophobicContact CG2-CG1 4.23Å
434	S	37.7	Very low	39.6	Very low	54 Å²	54	70.7 Å²	70.7	38%	0.378	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	173.7	175.4	81.5	0	0	0	0	110.8	H436 G437	S434-H436 PolarHBondContact O-N 3.35Å; S434-H436 PolarHBondContact OG-N 2.85Å; S434-H436 VanDerWaalsContact OG-N 3.08Å; S434-G437 PolarHBondContact N-O 3.49Å; S434-G437 PolarHBondContact O-N 2.76Å
435	R	34.2	Very low	39.7	Very low	174 Å²	174	71.5 Å²	71.5	66%	0.657	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.7	171.5	68.6	176.1	-179.2	179	-2	113.3
436	H	35.2	Very low	39.9	Very low	60 Å²	60	72.3 Å²	72.3	28%	0.278	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	10.1	-173.6	-57.1	-53.3	0	0	0	112.7	S434 P496 A498	S434-H436 PolarHBondContact O-N 3.35Å; S434-H436 PolarHBondContact OG-N 2.85Å; S434-H436 VanDerWaalsContact OG-N 3.08Å; H436-P496 HydrophobicContact CB-CB 4Å; H436-P496 VanDerWaalsContact CB-CD 3.48Å; H436-P496 HydrophobicContact CB-CG 3.57Å; H436-P496 VanDerWaalsContact O-O 3.05Å; H436-A498 VanDerWaalsContact C-CB 3.48Å; H436-A498 WeakPolarHBondContact O-CA 3.42Å; H436-A498 WeakPolarHBondContact O-CB 3.33Å; H436-A498 PolarHBondContact O-N 2.95Å
437	G	35	Very low	40.1	Very low	15 Å²	15	73.9 Å²	73.9	16%	0.155	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.1	-167.9	175.6	0	0	0	0	0	115	S434	S434-G437 PolarHBondContact N-O 3.49Å; S434-G437 PolarHBondContact O-N 2.76Å
438	I	39.6	Very low	40	Very low	55 Å²	55	76.4 Å²	76.4	28%	0.282	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.3	-177.3	-57	173.7	0	0	0	108.3	L330 L431 V433 V502	L330-I438 HydrophobicContact CD2-CD1 4.39Å; L431-I438 HydrophobicContact CD1-CG2 3.48Å; L431-I438 VanDerWaalsContact CD1-CG2 3.48Å; L431-I438 HydrophobicContact CD2-CG2 4.28Å; L431-I438 HydrophobicContact CG-CG2 3.97Å; V433-I438 HydrophobicContact CG1-CG1 4.22Å; V433-I438 HydrophobicContact CG2-CG1 4.23Å; I438-V502 HydrophobicContact CD1-CG2 3.83Å
439	G	39.2	Very low	39.8	Very low	14 Å²	14	75.9 Å²	75.9	14%	0.144	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	174.1	176.9	0	0	0	0	0	112.2	L431 R432	L431-G439 CarbonylContact C-O 3.55Å; R432-G439 PolarHBondContact N-O 2.91Å; R432-G439 PolarHBondContact O-N 3.42Å
440	F	40.8	Very low	39.7	Very low	6 Å²	6	79.5 Å²	79.5	3%	0.026	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.1	174.9	-73.3	-93.2	0	0	0	110.4	I405 M407 V413 W429 H430 L431 P473 L475	I405-F440 HydrophobicContact CG2-CE1 4.03Å; I405-F440 HydrophobicContact CG2-CZ 3.86Å; M407-F440 HydrophobicContact CB-CD1 4.04Å; M407-F440 HydrophobicContact CB-CE1 4.01Å; M407-F440 HydrophobicContact CB-CG 4.42Å; M407-F440 HydrophobicContact CB-CZ 4.35Å; M407-F440 HydrophobicContact SD-CD2 4.41Å; V413-F440 HydrophobicContact CG1-CZ 3.91Å; V413-F440 HydrophobicContact CG2-CE2 4.3Å; V413-F440 HydrophobicContact CG2-CZ 4.12Å; W429-F440 HydrophobicContact CB-CB 4.46Å; W429-F440 HydrophobicContact CB-CD1 4.46Å; H430-F440 CarbonylContact O-C 3.56Å; H430-F440 VanDerWaalsContact O-CA 3.27Å; H430-F440 WeakPolarHBondContact O-CA 3.34Å; L431-F440 HydrophobicContact CB-CD1 4.17Å; L431-F440 HydrophobicContact CB-CE1 3.84Å; L431-F440 HydrophobicContact CB-CZ 4.27Å; L431-F440 HydrophobicContact CD1-CD1 4.34Å; L431-F440 HydrophobicContact CD1-CD2 4.02Å; L431-F440 HydrophobicContact CD1-CE1 3.95Å; L431-F440 HydrophobicContact CD1-CE2 3.59Å; L431-F440 HydrophobicContact CD1-CG 4.38Å; L431-F440 HydrophobicContact CD1-CZ 3.56Å; F440-P473 HydrophobicContact CB-CG 4.12Å; F440-P473 PolarHBondContact N-O 3.03Å; F440-P473 VanDerWaalsContact N-O 3.16Å; F440-L475 HydrophobicContact CD2-CD2 4.22Å; F440-L475 HydrophobicContact CD2-CG 4.39Å; F440-L475 HydrophobicContact CE2-CD1 4.06Å; F440-L475 HydrophobicContact CE2-CD2 3.74Å; F440-L475 HydrophobicContact CE2-CG 4.09Å
441	E	42.2	Very low	39.7	Very low	61 Å²	61	83.2 Å²	83.2	29%	0.285	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	178.8	-175.1	176.1	163.2	0	0	109.5	H430 R432	H430-E441 PolarHBondContact N-O 3.46Å; H430-E441 PolarHBondContact O-N 3.08Å; R432-E441 WeakPolarHBondContact CD-OE2 3.28Å; R432-E441 HydrophobicContact CG-CB 4.32Å; R432-E441 WeakPolarHBondContact CG-OE2 3.45Å; R432-E441 IonicContact CZ-OE1 2.7Å; R432-E441 IonicContact CZ-OE2 3.8Å; R432-E441 IonicContact NE-OE2 2.74Å; R432-E441 PolarHBondContact NE-OE2 2.88Å; R432-E441 VanDerWaalsContact NE-OE2 3.13Å; R432-E441 IonicContact NH1-OE1 3.32Å; R432-E441 PolarHBondContact NH1-OE1 2.79Å; R432-E441 IonicContact NH1-OE2 2.95Å; R432-E441 PolarHBondContact NH1-OE2 3.11Å; R432-E441 IonicContact NH2-OE1 2.73Å; R432-E441 IonicContact NH2-OE2 2.88Å
442	H	41.2	Very low	39.6	Very low	36 Å²	36	89.9 Å²	89.9	17%	0.167	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.7	170.5	-170.9	-110.9	0	0	0	109.4	E428 W429 L444 D448	E428-H442 VanDerWaalsContact C-CD2 3.46Å; E428-H442 PolarHBondContact O-CD2 3.45Å; W429-H442 HydrophobicContact CD2-CB 3.84Å; W429-H442 AromaticContact CE2-CD2 3.75Å; W429-H442 HydrophobicContact CE3-CB 3.58Å; W429-H442 HydrophobicContact CH2-CB 3.61Å; W429-H442 HydrophobicContact CZ2-CB 3.88Å; W429-H442 HydrophobicContact CZ3-CB 3.42Å; W429-H442 VanDerWaalsContact CZ3-CB 3.42Å; W429-H442 AromaticContact NE1-CD2 3.74Å; H442-L444 PolarHBondContact O-N 2.89Å; H442-D448 IonicContact CE1-OD2 2.79Å; H442-D448 PolarHBondContact CE1-OD2 3.29Å
443	Q	42.8	Very low	39.6	Very low	151 Å²	151	85.5 Å²	85.5	71%	0.706	44%	0.444	S	S	*	.			trans	-91.9	95.7	171.3	-169.5	169.6	-6.6	0	0	108	T445	Q443-T445 PolarHBondContact O-N 2.92Å
444	L	39.7	Very low	39.4	Very low	102 Å²	102	89.4 Å²	89.4	53%	0.534	46%	0.459	S	S	.	.			trans	-55.3	128.7	177.2	-68	161	0	0	0	110.2	H442 D448	H442-L444 PolarHBondContact O-N 2.89Å; L444-D448 WeakPolarHBondContact CA-OD2 3.19Å; L444-D448 HydrophobicContact CD2-CB 3.78Å
445	T	38.7	Very low	39.4	Very low	84 Å²	84	95 Å²	95	52%	0.515	48%	0.479	S	S	.	.			trans	-105.2	163.2	169.9	51.3	0	0	0	0	110.2	Q443 D447 D448	Q443-T445 PolarHBondContact O-N 2.92Å; T445-D447 PolarHBondContact O-N 3.47Å; T445-D448 PolarHBondContact N-OD2 2.98Å; T445-D448 WeakPolarHBondContact O-CB 3.48Å; T445-D448 PolarHBondContact O-N 3Å; T445-D448 PolarHBondContact OG1-OD2 2.03Å
446	E	42.6	Very low	39.4	Very low	175 Å²	175	94.4 Å²	94.4	82%	0.818	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-55.8	-26.8	-174.1	-78.2	-179.8	160.1	0	0	113.2	D448 I449	E446-D448 VanDerWaalsContact C-N 3.31Å; E446-D448 PolarHBondContact O-N 3.47Å; E446-I449 WeakPolarHBondContact O-CG1 3.34Å; E446-I449 PolarHBondContact O-N 2.81Å
447	D	43.8	Very low	39.1	Very low	154 Å²	154	94.2 Å²	94.2	82%	0.824	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-74.4	-16	178.1	-61.7	-32.4	0	0	0	113.8	T445 I449	T445-D447 PolarHBondContact O-N 3.47Å; D447-I449 PolarHBondContact O-N 3.09Å
448	D	39.2	Very low	39	Very low	63 Å²	63	100.8 Å²	100.8	34%	0.337	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-81.7	-3.6	176.7	-60.9	-51.1	0	0	0	112.9	H442 L444 T445 E446 T450	H442-D448 IonicContact CE1-OD2 2.79Å; H442-D448 PolarHBondContact CE1-OD2 3.29Å; L444-D448 WeakPolarHBondContact CA-OD2 3.19Å; L444-D448 HydrophobicContact CD2-CB 3.78Å; T445-D448 PolarHBondContact N-OD2 2.98Å; T445-D448 WeakPolarHBondContact O-CB 3.48Å; T445-D448 PolarHBondContact O-N 3Å; T445-D448 PolarHBondContact OG1-OD2 2.03Å; E446-D448 VanDerWaalsContact C-N 3.31Å; E446-D448 PolarHBondContact O-N 3.47Å; D448-T450 PolarHBondContact O-N 2.91Å; D448-T450 VanDerWaalsContact O-N 3.15Å
449	I	37.5	Very low	38.5	Very low	74 Å²	74	105.3 Å²	105.3	38%	0.379	54%	0.544	S	S	.	.			trans	-87.6	78.7	-176.7	-50.6	174.2	0	0	0	109	E446 D447	E446-I449 WeakPolarHBondContact O-CG1 3.34Å; E446-I449 PolarHBondContact O-N 2.81Å; D447-I449 PolarHBondContact O-N 3.09Å
450	T	38.3	Very low	38.2	Very low	99 Å²	99	109.2 Å²	109.2	61%	0.607	56%	0.561	S	S	*	*			trans	-69.8	142.3	167.6	43.9	0	0	0	0	110.9	D448 E452 S453	D448-T450 PolarHBondContact O-N 2.91Å; D448-T450 VanDerWaalsContact O-N 3.15Å; T450-E452 PolarHBondContact O-N 3.1Å; T450-S453 WeakPolarHBondContact O-CB 3.28Å; T450-S453 PolarHBondContact O-N 3.43Å; T450-S453 PolarHBondContact O-OG 3.33Å
451	D	44	Very low	38.2	Very low	136 Å²	136	114.9 Å²	114.9	73%	0.727	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-50.8	-26.2	-174.3	-79.2	-35.1	0	0	0	114.6	S453 Q454	D451-S453 PolarHBondContact O-N 2.84Å; D451-Q454 PolarHBondContact O-N 2.99Å
452	E	41.1	Very low	38.1	Very low	185 Å²	185	116.4 Å²	116.4	86%	0.864	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-68.5	-17.5	177	-64.9	-166.2	161.8	0	0	114.1	T450 Q454	T450-E452 PolarHBondContact O-N 3.1Å; E452-Q454 VanDerWaalsContact C-N 3.26Å; E452-Q454 PolarHBondContact O-N 3.05Å
453	S	39	Very low	37.8	Very low	50 Å²	50	120.7 Å²	120.7	35%	0.35	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-78.5	-3.7	178.9	65.1	0	0	0	0	114.3	T450 D451 Q455	T450-S453 WeakPolarHBondContact O-CB 3.28Å; T450-S453 PolarHBondContact O-N 3.43Å; T450-S453 PolarHBondContact O-OG 3.33Å; D451-S453 PolarHBondContact O-N 2.84Å; S453-Q455 VanDerWaalsContact C-N 3.32Å; S453-Q455 PolarHBondContact O-N 3.18Å
454	Q	35.5	Very low	37.3	Very low	130 Å²	130	122 Å²	122	61%	0.607	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-73.3	-15.8	-178.4	-67.5	-168.7	8.9	0	0	114.6	D451 E452 H456	D451-Q454 PolarHBondContact O-N 2.99Å; E452-Q454 VanDerWaalsContact C-N 3.26Å; E452-Q454 PolarHBondContact O-N 3.05Å; Q454-H456 VanDerWaalsContact C-N 3.34Å; Q454-H456 PolarHBondContact O-N 3.27Å
455	Q	37.7	Very low	36.8	Very low	170 Å²	170	120 Å²	120	79%	0.794	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-78.7	-7.3	-171.6	-88.3	-173	-6.4	0	0	116.2	S453	S453-Q455 VanDerWaalsContact C-N 3.32Å; S453-Q455 PolarHBondContact O-N 3.18Å
456	H	34	Very low	36.3	Very low	162 Å²	162	122.4 Å²	122.4	75%	0.75	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-129.6	50.1	-179.3	-64.1	-51.9	0	0	0	113.2	Q454 L458	Q454-H456 VanDerWaalsContact C-N 3.34Å; Q454-H456 PolarHBondContact O-N 3.27Å; H456-L458 PolarHBondContact O-N 3.4Å
457	S	29.2	Very low	35.8	Very low	56 Å²	56	120 Å²	120	39%	0.392	65%	0.645	S	S	.	*			trans	-83.8	98.6	166.5	61.3	0	0	0	0	110.8	L459	S457-L459 PolarHBondContact O-N 3.49Å
458	L	32.3	Very low	35.3	Very low	154 Å²	154	117.2 Å²	117.2	81%	0.806	62%	0.624	S	S	*	*			trans	-77.2	108.7	165.4	-89.7	152.9	0	0	0	108.9	H456 N460	H456-L458 PolarHBondContact O-N 3.4Å; L458-N460 PolarHBondContact O-N 3Å; L458-N460 VanDerWaalsContact O-N 3.08Å
459	L	30.6	Very low	35.1	Very low	149 Å²	149	120 Å²	120	78%	0.78	64%	0.638	S	S	*	*			trans	-62.9	105.3	174.6	-86.3	146.2	0	0	0	109.7	S457 P461	S457-L459 PolarHBondContact O-N 3.49Å; L459-P461 WeakPolarHBondContact O-CD 3.02Å
460	N	31.5	Very low	35.1	Very low	96 Å²	96	118.2 Å²	118.2	51%	0.513	64%	0.638	S	S	.	*			trans	-83.1	116.4	170.7	-149.7	-6.1	0	0	0	108.3	L458 S462	L458-N460 PolarHBondContact O-N 3Å; L458-N460 VanDerWaalsContact O-N 3.08Å; N460-S462 VanDerWaalsContact C-N 3.25Å; N460-S462 PolarHBondContact O-N 3.49Å; N460-S462 VanDerWaalsContact O-N 3.08Å
461	P	41.8	Very low	34.8	Very low	125 Å²	125	120.9 Å²	120.9	81%	0.812	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-6	-162.9	-16.8	29.5	0	0	0	116	L459	L459-P461 WeakPolarHBondContact O-CD 3.02Å
462	S	40.6	Very low	34.5	Very low	94 Å²	94	115.1 Å²	115.1	66%	0.657	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-11.2	-168.1	58.2	0	0	0	0	115.5	N460	N460-S462 VanDerWaalsContact C-N 3.25Å; N460-S462 PolarHBondContact O-N 3.49Å; N460-S462 VanDerWaalsContact O-N 3.08Å
463	N	34.1	Very low	34.2	Very low	125 Å²	125	106.4 Å²	106.4	67%	0.668	57%	0.567	S	S	*	*	S	Bend	trans	-155.1	129.6	171.5	-87	-39	0	0	0	107.7	A465	N463-A465 PolarHBondContact O-N 3.09Å
464	N	32.3	Very low	34.1	Very low	179 Å²	179	105.8 Å²	105.8	96%	0.957	56%	0.561	S	S	*	*	S	Bend	trans	-65.1	30.8	178.4	-75.4	-11.9	0	0	0	114.3
465	A	29.5	Very low	34.2	Very low	61 Å²	61	101.2 Å²	101.2	50%	0.504	54%	0.541	S	S	.	.			trans	-93.2	107.1	168.6	0	0	0	0	0	108.3	N463 I467	N463-A465 PolarHBondContact O-N 3.09Å; A465-I467 PolarHBondContact O-N 3.01Å; A465-I467 VanDerWaalsContact O-N 3.14Å
466	K	28.5	Very low	34.1	Very low	134 Å²	134	97.5 Å²	97.5	58%	0.583	53%	0.527	S	S	*	.			trans	-63.1	110.9	167	-80.5	-178.2	177.2	-178.5	0	107.9	Y468	K466-Y468 HydrophobicContact CB-CE2 4.01Å
467	I	31.2	Very low	34.3	Very low	123 Å²	123	92.1 Å²	92.1	63%	0.631	51%	0.505	S	S	*	.			trans	-92.8	119.1	174.3	-62	169.6	0	0	0	106.7	A465	A465-I467 PolarHBondContact O-N 3.01Å; A465-I467 VanDerWaalsContact O-N 3.14Å
468	Y	34.4	Very low	34.8	Very low	97 Å²	97	95.7 Å²	95.7	38%	0.38	52%	0.518	S	S	.	.			trans	-88.3	132.9	178.8	-65.5	-93	0	0	0	110	K466 G470	K466-Y468 HydrophobicContact CB-CE2 4.01Å; Y468-G470 PolarHBondContact O-N 3.37Å
469	D	33.5	Very low	35.1	Very low	120 Å²	120	91.8 Å²	91.8	64%	0.642	50%	0.498	S	S	*	.			trans	-76.1	88.7	-176	-127.9	2.8	0	0	0	110.2
470	G	37.2	Very low	35.7	Very low	37 Å²	37	89.4 Å²	89.4	38%	0.381	48%	0.483	S	S	.	.			trans	-84.7	127.2	-174.4	0	0	0	0	0	114.2	Y468	Y468-G470 PolarHBondContact O-N 3.37Å
471	R	33	Very low	36.2	Very low	156 Å²	156	92.9 Å²	92.9	59%	0.589	49%	0.493	S	S	*	.			trans	-62.5	133.8	165.3	-71.5	-179.2	179.1	166.6	5.7	109.9	W489 H491	R471-W489 HydrophobicContact CB-CE3 4.15Å; R471-H491 PolarHBondContact NE-NE2 3.01Å
472	S	36.7	Very low	36.3	Very low	15 Å²	15	89.1 Å²	89.1	11%	0.105	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.3	-179.5	-59.6	0	0	0	0	110.9	T490 L493	S472-T490 PolarHBondContact N-O 2.83Å; S472-T490 VanDerWaalsContact N-O 3.16Å; S472-T490 PolarHBondContact O-N 3.2Å; S472-T490 VanDerWaalsContact O-N 3.12Å; S472-L493 WeakPolarHBondContact OG-CD1 3.27Å; S472-L493 WeakPolarHBondContact OG-CG 3.48Å
473	P	36.5	Very low	36.3	Very low	2 Å²	2	88.7 Å²	88.7	1%	0.013	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.4	176.6	25.6	-27.7	0	0	0	111.1	M407 W429 F440 G488 W489	M407-P473 HydrophobicContact CE-CB 3.91Å; M407-P473 HydrophobicContact CE-CG 3.71Å; W429-P473 HydrophobicContact CD2-CG 4.27Å; W429-P473 HydrophobicContact CE3-CG 3.37Å; W429-P473 HydrophobicContact CH2-CG 4.13Å; W429-P473 HydrophobicContact CZ3-CG 3.32Å; F440-P473 HydrophobicContact CB-CG 4.12Å; F440-P473 PolarHBondContact N-O 3.03Å; F440-P473 VanDerWaalsContact N-O 3.16Å; P473-G488 WeakPolarHBondContact CA-O 3.47Å; P473-W489 HydrophobicContact CB-CE3 4.24Å; P473-W489 HydrophobicContact CB-CZ3 4.29Å; P473-W489 HydrophobicContact CG-CZ3 4.26Å
474	T	36.3	Very low	36.4	Very low	36 Å²	36	86.2 Å²	86.2	22%	0.221	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.2	175.8	57.3	0	0	0	0	109.8	S487 G488 T490	T474-S487 CarbonylContact O-C 3.55Å; T474-S487 WeakPolarHBondContact O-CA 3.13Å; T474-G488 PolarHBondContact N-O 3.48Å; T474-G488 PolarHBondContact O-N 3Å; T474-G488 PolarHBondContact OG1-O 2.96Å; T474-G488 VanDerWaalsContact OG1-O 3.06Å; T474-T490 HydrophobicContact CG2-CG2 4.28Å
475	L	36.7	Very low	36.8	Very low	35 Å²	35	80.3 Å²	80.3	18%	0.183	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.3	175.3	-62.8	169.1	0	0	0	109.3	F440 I485 T499	F440-L475 HydrophobicContact CD2-CD2 4.22Å; F440-L475 HydrophobicContact CD2-CG 4.39Å; F440-L475 HydrophobicContact CE2-CD1 4.06Å; F440-L475 HydrophobicContact CE2-CD2 3.74Å; F440-L475 HydrophobicContact CE2-CG 4.09Å; L475-I485 HydrophobicContact CB-CG2 3.86Å; L475-I485 HydrophobicContact CD1-CG2 4.26Å; L475-I485 HydrophobicContact CD2-CG2 3.34Å; L475-I485 HydrophobicContact CG-CG2 3.98Å; L475-T499 PolarHBondContact O-OG1 3.18Å
476	N	36.2	Very low	37.1	Very low	92 Å²	92	78.3 Å²	78.3	49%	0.492	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.5	172.1	-155	5.6	0	0	0	111	A486	N476-A486 PolarHBondContact N-O 3.41Å; N476-A486 PolarHBondContact O-N 3.23Å
477	V	37.8	Very low	37.4	Very low	48 Å²	48	74 Å²	74	29%	0.291	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.7	176	173	0	0	0	0	108.6	D479 W500	V477-D479 VanDerWaalsContact C-N 3.34Å; V477-D479 VanDerWaalsContact CG1-C 3.48Å; V477-D479 WeakPolarHBondContact CG1-O 3.35Å; V477-W500 HydrophobicContact CG2-CZ2 3.61Å
478	I	40.8	Very low	37.5	Very low	132 Å²	132	69.3 Å²	69.3	68%	0.677	36%	0.364	S	S	*	.	S	Bend	trans	-65.9	-39.7	174	-75.4	166.7	0	0	0	110.6	A486	I478-A486 HydrophobicContact CB-CB 4.38Å; I478-A486 HydrophobicContact CD1-CB 3.2Å; I478-A486 HydrophobicContact CG1-CB 3.28Å
479	D	38.4	Very low	37.4	Very low	71 Å²	71	71.7 Å²	71.7	38%	0.38	37%	0.373	S	S	.	.			trans	-156.5	128.5	-175.5	179.7	1.4	0	0	0	110.6	V477 K481 S482	V477-D479 VanDerWaalsContact C-N 3.34Å; V477-D479 VanDerWaalsContact CG1-C 3.48Å; V477-D479 WeakPolarHBondContact CG1-O 3.35Å; D479-K481 PolarHBondContact O-N 3.17Å; D479-K481 WeakPolarHBondContact OD1-CB 3.31Å; D479-K481 PolarHBondContact OD1-N 3.2Å; D479-S482 PolarHBondContact O-N 2.92Å; D479-S482 PolarHBondContact O-OG 2.99Å
480	E	41.9	Very low	37.4	Very low	99 Å²	99	68.8 Å²	68.8	46%	0.463	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.9	175.8	-69.8	-164.5	165.4	0	0	113.3
481	K	42.8	Very low	37.1	Very low	169 Å²	169	72.3 Å²	72.3	74%	0.735	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-31.1	178.9	-64.8	-178.7	-179.3	175.2	0	114	D479 Y483	D479-K481 PolarHBondContact O-N 3.17Å; D479-K481 WeakPolarHBondContact OD1-CB 3.31Å; D479-K481 PolarHBondContact OD1-N 3.2Å; K481-Y483 VanDerWaalsContact C-N 3.34Å; K481-Y483 WeakPolarHBondContact O-CD2 2.96Å; K481-Y483 WeakPolarHBondContact O-CE2 3.29Å
482	S	44.1	Very low	36.9	Very low	46 Å²	46	71.5 Å²	71.5	32%	0.322	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18	-173.5	70.5	0	0	0	0	113	D479 T484	D479-S482 PolarHBondContact O-N 2.92Å; D479-S482 PolarHBondContact O-OG 2.99Å; S482-T484 PolarHBondContact O-N 2.69Å; S482-T484 PolarHBondContact OG-N 3.5Å; S482-T484 PolarHBondContact OG-OG1 3.33Å
483	Y	41	Very low	36.8	Very low	86 Å²	86	74.4 Å²	74.4	34%	0.337	38%	0.383	S	S	.	.			trans	57.5	10	-176.8	-51	-90.7	0	0	0	114.2	L354 K356 K481	L354-Y483 WeakPolarHBondContact O-CB 3.28Å; L354-Y483 WeakPolarHBondContact O-CD1 3.07Å; K356-Y483 HydrophobicContact CD-CE1 4.18Å; K356-Y483 WeakPolarHBondContact CD-OH 3.49Å; K356-Y483 WeakPolarHBondContact CE-OH 3.38Å; K356-Y483 HydrophobicContact CG-CE1 4.06Å; K356-Y483 PolarHBondContact NZ-OH 2.86Å; K481-Y483 VanDerWaalsContact C-N 3.34Å; K481-Y483 WeakPolarHBondContact O-CD2 2.96Å; K481-Y483 WeakPolarHBondContact O-CE2 3.29Å
484	T	35.9	Very low	36.5	Very low	73 Å²	73	84.3 Å²	84.3	45%	0.448	42%	0.42	S	S	.	.			trans	-85.2	122.6	179.2	51.6	0	0	0	0	109.6	S482	S482-T484 PolarHBondContact O-N 2.69Å; S482-T484 PolarHBondContact OG-N 3.5Å; S482-T484 PolarHBondContact OG-OG1 3.33Å
485	I	39.8	Very low	36.2	Very low	54 Å²	54	90.9 Å²	90.9	28%	0.277	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.4	169.8	-51.5	176.1	0	0	0	106.9	I352 L354 L475	I352-I485 HydrophobicContact CG2-CD1 4.17Å; L354-I485 HydrophobicContact CD1-CG1 4.15Å; L354-I485 HydrophobicContact CG-CD1 4.22Å; L354-I485 HydrophobicContact CG-CG1 4.18Å; L475-I485 HydrophobicContact CB-CG2 3.86Å; L475-I485 HydrophobicContact CD1-CG2 4.26Å; L475-I485 HydrophobicContact CD2-CG2 3.34Å; L475-I485 HydrophobicContact CG-CG2 3.98Å
486	A	36.4	Very low	36.2	Very low	19 Å²	19	90.6 Å²	90.6	16%	0.157	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.7	175.9	0	0	0	0	0	111.2	N476 I478	N476-A486 PolarHBondContact N-O 3.41Å; N476-A486 PolarHBondContact O-N 3.23Å; I478-A486 HydrophobicContact CB-CB 4.38Å; I478-A486 HydrophobicContact CD1-CB 3.2Å; I478-A486 HydrophobicContact CG1-CB 3.28Å
487	S	35.4	Very low	36	Very low	43 Å²	43	94.9 Å²	94.9	30%	0.301	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120	171.9	53.3	0	0	0	0	110	T474	T474-S487 CarbonylContact O-C 3.55Å; T474-S487 WeakPolarHBondContact O-CA 3.13Å
488	G	33.5	Very low	36.2	Very low	25 Å²	25	93.7 Å²	93.7	26%	0.258	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.2	166.6	0	0	0	0	0	110.7	P473 T474	P473-G488 WeakPolarHBondContact CA-O 3.47Å; T474-G488 PolarHBondContact N-O 3.48Å; T474-G488 PolarHBondContact O-N 3Å; T474-G488 PolarHBondContact OG1-O 2.96Å; T474-G488 VanDerWaalsContact OG1-O 3.06Å
489	W	32.6	Very low	36.3	Very low	147 Å²	147	90.3 Å²	90.3	56%	0.557	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.6	-179.6	-57	90.9	0	0	0	110.5	W429 R471 P473	W429-W489 HydrophobicContact CH2-CH2 4.29Å; W429-W489 AromaticContact CH2-CZ3 3.89Å; W429-W489 HydrophobicContact CH2-CZ3 3.89Å; W429-W489 HydrophobicContact CZ2-CH2 4.31Å; W429-W489 HydrophobicContact CZ2-CZ3 4.36Å; R471-W489 HydrophobicContact CB-CE3 4.15Å; P473-W489 HydrophobicContact CB-CE3 4.24Å; P473-W489 HydrophobicContact CB-CZ3 4.29Å; P473-W489 HydrophobicContact CG-CZ3 4.26Å
490	T	32.5	Very low	36.4	Very low	60 Å²	60	89.3 Å²	89.3	37%	0.368	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.4	167.5	67.2	0	0	0	0	110.6	S472 T474 Q492	S472-T490 PolarHBondContact N-O 2.83Å; S472-T490 VanDerWaalsContact N-O 3.16Å; S472-T490 PolarHBondContact O-N 3.2Å; S472-T490 VanDerWaalsContact O-N 3.12Å; T474-T490 HydrophobicContact CG2-CG2 4.28Å; T490-Q492 PolarHBondContact O-N 3.02Å
491	H	30.9	Very low	36.5	Very low	110 Å²	110	87.8 Å²	87.8	51%	0.509	43%	0.43	S	S	.	.	S	Bend	trans	-82.2	-9.3	-167	-119.5	-72.7	0	0	0	114.2	R471	R471-H491 PolarHBondContact NE-NE2 3.01Å
492	Q	29.9	Very low	36.7	Very low	140 Å²	140	81 Å²	81	65%	0.654	40%	0.403	S	S	*	.			trans	-149.6	114.7	-178.6	-69.1	-176.8	-15.4	0	0	112	T490 W494	T490-Q492 PolarHBondContact O-N 3.02Å; Q492-W494 PolarHBondContact O-N 3.16Å; Q492-W494 VanDerWaalsContact O-N 3.1Å
493	L	34.6	Very low	36.7	Very low	75 Å²	75	79.2 Å²	79.2	39%	0.393	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4	177	-109.3	166.1	0	0	0	114.5	S472 P496	S472-L493 WeakPolarHBondContact OG-CD1 3.27Å; S472-L493 WeakPolarHBondContact OG-CG 3.48Å; L493-P496 HydrophobicContact CD2-CG 4.33Å; L493-P496 WeakPolarHBondContact O-CD 3.16Å; L493-P496 VanDerWaalsContact O-CG 3.22Å; L493-P496 WeakPolarHBondContact O-CG 3.45Å
494	W	29.3	Very low	36.8	Very low	211 Å²	211	75.1 Å²	75.1	80%	0.799	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.4	-170.6	-76.5	96.3	0	0	0	115.1	Q492	Q492-W494 PolarHBondContact O-N 3.16Å; Q492-W494 VanDerWaalsContact O-N 3.1Å
495	Q	29.2	Very low	37.2	Very low	173 Å²	173	72 Å²	72	81%	0.808	35%	0.353	S	S	*	.	S	Bend	trans	-134.7	64.2	168.3	-68.6	-174.5	-11.7	0	0	111.6	E497	Q495-E497 PolarHBondContact O-N 3.33Å
496	P	36.3	Very low	37.4	Very low	30 Å²	30	74 Å²	74	20%	0.195	36%	0.361	C	S	.	.			trans	-67.5	107.7	172.3	-2.8	20.8	0	0	0	106.6	H436 L493 A498	H436-P496 HydrophobicContact CB-CB 4Å; H436-P496 VanDerWaalsContact CB-CD 3.48Å; H436-P496 HydrophobicContact CB-CG 3.57Å; H436-P496 VanDerWaalsContact O-O 3.05Å; L493-P496 HydrophobicContact CD2-CG 4.33Å; L493-P496 WeakPolarHBondContact O-CD 3.16Å; L493-P496 VanDerWaalsContact O-CG 3.22Å; L493-P496 WeakPolarHBondContact O-CG 3.45Å; P496-A498 PolarHBondContact O-N 2.9Å
497	E	33.8	Very low	37.7	Very low	181 Å²	181	77 Å²	77	85%	0.846	38%	0.379	S	S	*	.			trans	-62	90.3	159.1	-65.9	-179.1	165.4	0	0	106	Q495 T499	Q495-E497 PolarHBondContact O-N 3.33Å; E497-T499 PolarHBondContact O-N 2.7Å
498	A	41.4	Very low	38	Very low	23 Å²	23	83.3 Å²	83.3	19%	0.19	40%	0.401	C	S	.	.			trans	-50.3	108.3	177.7	0	0	0	0	0	108.1	F333 H436 P496 W500	F333-A498 WeakPolarHBondContact CB-O 3.37Å; H436-A498 VanDerWaalsContact C-CB 3.48Å; H436-A498 WeakPolarHBondContact O-CA 3.42Å; H436-A498 WeakPolarHBondContact O-CB 3.33Å; H436-A498 PolarHBondContact O-N 2.95Å; P496-A498 PolarHBondContact O-N 2.9Å; A498-W500 PolarHBondContact O-N 2.66Å
499	T	41.7	Very low	38.4	Very low	62 Å²	62	83.1 Å²	83.1	38%	0.38	40%	0.4	S	S	.	.	S	Bend	trans	-70.4	-14.3	178.6	46.6	0	0	0	0	111.4	P332 F333 L475 E497	P332-T499 CarbonylContact C-O 3.56Å; P332-T499 WeakPolarHBondContact CA-O 3.12Å; F333-T499 PolarHBondContact N-O 3.14Å; L475-T499 PolarHBondContact O-OG1 3.18Å; E497-T499 PolarHBondContact O-N 2.7Å
500	W	42.1	Very low	38.9	Very low	50 Å²	50	79 Å²	79	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.9	-175.5	-58.5	87.8	0	0	0	114.7	L330 T331 P332 R342 L354 V477 A498	L330-W500 HydrophobicContact CB-CD2 4.4Å; L330-W500 HydrophobicContact CB-CE3 3.67Å; L330-W500 HydrophobicContact CB-CZ3 4.22Å; L330-W500 HydrophobicContact CD2-CB 4.32Å; T331-W500 CarbonylContact O-C 3.57Å; T331-W500 VanDerWaalsContact O-CA 3.29Å; T331-W500 WeakPolarHBondContact O-CA 3.38Å; P332-W500 HydrophobicContact CB-CE3 4.21Å; P332-W500 HydrophobicContact CB-CH2 4.07Å; P332-W500 HydrophobicContact CB-CZ2 4.35Å; P332-W500 HydrophobicContact CB-CZ3 4.03Å; P332-W500 VanDerWaalsContact CD-CZ3 3.48Å; P332-W500 HydrophobicContact CG-CH2 4.31Å; P332-W500 HydrophobicContact CG-CZ3 4.13Å; R342-W500 HydrophobicContact CG-CZ3 4.41Å; L354-W500 HydrophobicContact CD1-CH2 4.39Å; L354-W500 HydrophobicContact CD1-CZ2 4.37Å; V477-W500 HydrophobicContact CG2-CZ2 3.61Å; A498-W500 PolarHBondContact O-N 2.66Å
501	Q	44.1	Very low	39.3	Very low	67 Å²	67	81.2 Å²	81.2	31%	0.313	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.7	167.1	-67.8	178.3	-1.5	0	0	110.9	L330 T331 F333 Y503	L330-Q501 WeakPolarHBondContact CA-O 3.34Å; T331-Q501 PolarHBondContact N-O 2.8Å; T331-Q501 PolarHBondContact O-N 3.24Å; F333-Q501 HydrophobicContact CD2-CG 3.97Å; F333-Q501 HydrophobicContact CE2-CG 4.47Å; Q501-Y503 HydrophobicContact CB-CD2 4.43Å; Q501-Y503 HydrophobicContact CB-CE2 3.67Å; Q501-Y503 PolarHBondContact OE1-OH 3.19Å
502	V	47.1	Very low	39.9	Very low	26 Å²	26	78.7 Å²	78.7	16%	0.158	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.3	-178.1	-166.4	0	0	0	0	111.4	V305 L328 F329 L330 I438	V305-V502 PolarHBondContact N-O 2.87Å; L328-V502 HydrophobicContact CB-CG1 4.14Å; L328-V502 HydrophobicContact CD1-CG1 4.49Å; L328-V502 HydrophobicContact CD2-CG1 3.87Å; L328-V502 HydrophobicContact CG-CG1 4.39Å; F329-V502 CarbonylContact O-C 3.53Å; F329-V502 WeakPolarHBondContact O-CA 3.09Å; L330-V502 HydrophobicContact CD2-CB 4.46Å; L330-V502 HydrophobicContact CD2-CG2 3.75Å; I438-V502 HydrophobicContact CD1-CG2 3.83Å
503	Y	43.7	Very low	40.5	Very low	9 Å²	9	73.4 Å²	73.4	4%	0.035	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.1	176.4	-62.2	-102	0	0	0	112.1	T290 I302 T303 N304 L328 F329 T331 Q501	T290-Y503 HydrophobicContact CG2-CD1 4.41Å; T290-Y503 HydrophobicContact CG2-CE1 3.64Å; T290-Y503 HydrophobicContact CG2-CE2 4.13Å; I302-Y503 HydrophobicContact CB-CD1 4.21Å; I302-Y503 VanDerWaalsContact CG2-CB 3.44Å; I302-Y503 HydrophobicContact CG2-CD1 4.33Å; I302-Y503 HydrophobicContact CG2-CG 4.27Å; T303-Y503 WeakPolarHBondContact O-CA 3.48Å; N304-Y503 HydrophobicContact CB-CD1 4.25Å; N304-Y503 HydrophobicContact CB-CE1 3.96Å; N304-Y503 PolarHBondContact ND2-OH 3.4Å; N304-Y503 WeakPolarHBondContact OD1-CD1 3.47Å; N304-Y503 WeakPolarHBondContact OD1-CE1 3.33Å; N304-Y503 PolarHBondContact OD1-OH 3.42Å; L328-Y503 WeakPolarHBondContact CA-O 3.03Å; F329-Y503 PolarHBondContact N-O 2.86Å; F329-Y503 PolarHBondContact O-N 3.45Å; T331-Y503 HydrophobicContact CG2-CD2 4.35Å; T331-Y503 HydrophobicContact CG2-CE2 4.28Å; T331-Y503 VanDerWaalsContact OG1-CE2 3.26Å; T331-Y503 WeakPolarHBondContact OG1-CE2 3.45Å; Q501-Y503 HydrophobicContact CB-CD2 4.43Å; Q501-Y503 HydrophobicContact CB-CE2 3.67Å; Q501-Y503 PolarHBondContact OE1-OH 3.19Å
504	G	43.1	Very low	40.8	Very low	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.9	177.1	0	0	0	0	0	112.9	T303	T303-G504 PolarHBondContact N-O 3.32Å; T303-G504 PolarHBondContact O-N 3.48Å; T303-G504 PolarHBondContact OG1-O 2.87Å
505	F	43.8	Very low	41.5	Very low	7 Å²	7	68.2 Å²	68.2	3%	0.031	36%	0.356	C	S	.	.			trans	-78.4	145.5	174.6	-147.7	-115.6	0	0	0	112.5	F288 V300 S326 P327 F329 L510	F288-F505 AromaticContact CD1-CE2 3.87Å; F288-F505 HydrophobicContact CD1-CE2 3.87Å; F288-F505 HydrophobicContact CE1-CD2 4.38Å; F288-F505 AromaticContact CE1-CE2 3.37Å; F288-F505 HydrophobicContact CE1-CE2 3.37Å; F288-F505 AromaticContact CE1-CZ 3.84Å; F288-F505 HydrophobicContact CE1-CZ 3.84Å; F288-F505 HydrophobicContact CZ-CE2 4.27Å; V300-F505 HydrophobicContact CB-CE2 4.33Å; V300-F505 HydrophobicContact CB-CZ 4.42Å; V300-F505 HydrophobicContact CG1-CE2 3.61Å; V300-F505 HydrophobicContact CG1-CZ 3.56Å; S326-F505 WeakPolarHBondContact CB-O 3.46Å; S326-F505 PolarHBondContact OG-O 3.44Å; P327-F505 HydrophobicContact CG-CB 4.4Å; F329-F505 HydrophobicContact CE2-CB 4.09Å; F329-F505 AromaticContact CE2-CD2 3.83Å; F329-F505 HydrophobicContact CE2-CD2 3.83Å; F329-F505 HydrophobicContact CE2-CG 4.31Å; F329-F505 HydrophobicContact CZ-CD2 4.08Å; F505-L510 HydrophobicContact CD1-CB 4.09Å; F505-L510 HydrophobicContact CD1-CD1 4.43Å; F505-L510 HydrophobicContact CE1-CB 3.84Å; F505-L510 HydrophobicContact CE1-CD1 4.09Å
506	Q	45.1	Very low	42.2	Very low	96 Å²	96	67 Å²	67	45%	0.449	35%	0.349	S	S	.	.			trans	-88.7	134.8	172.2	-70.1	-166.9	1.8	0	0	111.6	K508 G509	Q506-K508 PolarHBondContact O-N 2.8Å; Q506-K508 VanDerWaalsContact O-N 3.1Å; Q506-G509 PolarHBondContact O-N 2.66Å; Q506-G509 VanDerWaalsContact O-N 3.07Å
507	P	41.9	Very low	42.5	Very low	82 Å²	82	68.1 Å²	68.1	53%	0.532	35%	0.351	S	S	.	.	H	α-helix	trans	-55.1	-34	-177.4	-26.5	32.3	0	0	0	114.7	G509 L510 L511	P507-G509 PolarHBondContact O-N 3.29Å; P507-L510 PolarHBondContact O-N 3.49Å; P507-L511 PolarHBondContact O-N 3.29Å
508	K	41.7	Very low	42.7	Very low	175 Å²	175	66.4 Å²	66.4	76%	0.761	34%	0.337	S	S	*	.	H	α-helix	trans	-65	-36.3	-180	-71	-176.9	179.5	177.5	0	113	Q506 L510 A512	Q506-K508 PolarHBondContact O-N 2.8Å; Q506-K508 VanDerWaalsContact O-N 3.1Å; K508-L510 VanDerWaalsContact C-N 3.32Å; K508-A512 PolarHBondContact O-N 3.08Å
509	G	42.1	Very low	42.6	Very low	22 Å²	22	72.3 Å²	72.3	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-65.9	-37.5	178.7	0	0	0	0	0	111.9	Q506 P507 A512 V513	Q506-G509 PolarHBondContact O-N 2.66Å; Q506-G509 VanDerWaalsContact O-N 3.07Å; P507-G509 PolarHBondContact O-N 3.29Å; G509-A512 PolarHBondContact O-N 3.43Å; G509-V513 WeakPolarHBondContact O-CG2 3.12Å; G509-V513 PolarHBondContact O-N 2.75Å
510	L	42.4	Very low	42.3	Very low	59 Å²	59	72.2 Å²	72.2	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-44.5	-179.7	-166.3	70.7	0	0	0	111.6	F505 P507 K508 A512 V513 I514	F505-L510 HydrophobicContact CD1-CB 4.09Å; F505-L510 HydrophobicContact CD1-CD1 4.43Å; F505-L510 HydrophobicContact CE1-CB 3.84Å; F505-L510 HydrophobicContact CE1-CD1 4.09Å; P507-L510 PolarHBondContact O-N 3.49Å; K508-L510 VanDerWaalsContact C-N 3.32Å; L510-A512 VanDerWaalsContact C-N 3.31Å; L510-A512 PolarHBondContact O-N 3.39Å; L510-V513 PolarHBondContact O-N 2.7Å; L510-I514 HydrophobicContact CD2-CD1 4.46Å; L510-I514 HydrophobicContact CG-CD1 4Å; L510-I514 VanDerWaalsContact O-CG1 3.3Å; L510-I514 WeakPolarHBondContact O-CG1 3.4Å; L510-I514 PolarHBondContact O-N 3.31Å; L510-I514 VanDerWaalsContact O-N 3.09Å
511	L	40.8	Very low	42	Very low	107 Å²	107	76.1 Å²	76.1	56%	0.56	40%	0.402	S	S	*	.	H	α-helix	trans	-58.7	-42.1	177.8	-73.5	169.2	0	0	0	112.3	P507 V513 I514 E515	P507-L511 PolarHBondContact O-N 3.29Å; L511-V513 VanDerWaalsContact C-N 3.33Å; L511-V513 PolarHBondContact O-N 2.66Å; L511-I514 PolarHBondContact O-N 3.45Å; L511-E515 PolarHBondContact O-N 2.64Å
512	A	42.9	Very low	41.4	Very low	58 Å²	58	75.5 Å²	75.5	48%	0.479	41%	0.413	S	S	.	.	H	α-helix	trans	-65	-35.7	-180	0	0	0	0	0	112.9	K508 G509 L510 K516	K508-A512 PolarHBondContact O-N 3.08Å; G509-A512 PolarHBondContact O-N 3.43Å; L510-A512 VanDerWaalsContact C-N 3.31Å; L510-A512 PolarHBondContact O-N 3.39Å; A512-K516 PolarHBondContact O-N 3.2Å
513	V	43.2	Very low	40.5	Very low	29 Å²	29	79 Å²	79	18%	0.176	43%	0.427	C	S	.	.	H	α-helix	trans	-68.9	-44	175.6	177.4	0	0	0	0	110.7	L283 G509 L510 L511 K516 Q517	L283-V513 HydrophobicContact CD1-CG1 3.95Å; L283-V513 HydrophobicContact CD2-CG1 3.92Å; L283-V513 HydrophobicContact CD2-CG2 4.17Å; L283-V513 HydrophobicContact CG-CG1 3.91Å; G509-V513 WeakPolarHBondContact O-CG2 3.12Å; G509-V513 PolarHBondContact O-N 2.75Å; L510-V513 PolarHBondContact O-N 2.7Å; L511-V513 VanDerWaalsContact C-N 3.33Å; L511-V513 PolarHBondContact O-N 2.66Å; V513-K516 PolarHBondContact O-N 2.96Å; V513-Q517 PolarHBondContact O-N 3.31Å
514	I	42	Very low	39.6	Very low	42 Å²	42	86.2 Å²	86.2	22%	0.215	46%	0.461	C	S	.	.	H	α-helix	trans	-61.7	-45.7	179.4	-66.3	166.2	0	0	0	111.2	I280 L510 L511 K516 Q517 R518	I280-I514 HydrophobicContact CD1-CD1 3.79Å; I280-I514 HydrophobicContact CD1-CG1 3.95Å; I280-I514 HydrophobicContact CG1-CG1 4.24Å; L510-I514 HydrophobicContact CD2-CD1 4.46Å; L510-I514 HydrophobicContact CG-CD1 4Å; L510-I514 VanDerWaalsContact O-CG1 3.3Å; L510-I514 WeakPolarHBondContact O-CG1 3.4Å; L510-I514 PolarHBondContact O-N 3.31Å; L510-I514 VanDerWaalsContact O-N 3.09Å; L511-I514 PolarHBondContact O-N 3.45Å; I514-K516 VanDerWaalsContact C-N 3.28Å; I514-K516 PolarHBondContact O-N 2.81Å; I514-Q517 PolarHBondContact O-N 3.01Å; I514-R518 PolarHBondContact O-N 3.35Å
515	E	43.5	Very low	38.8	Very low	134 Å²	134	96.3 Å²	96.3	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-61.2	-37.4	178	-79.5	-177.9	170.5	0	0	112.3	L511	L511-E515 PolarHBondContact O-N 2.64Å
516	K	44.2	Very low	38	Very low	149 Å²	149	104.1 Å²	104.1	65%	0.648	53%	0.533	S	S	*	.	H	α-helix	trans	-71	-36.3	-177.7	-157.2	178.4	-176.6	-172.7	0	112.7	A512 V513 I514	A512-K516 PolarHBondContact O-N 3.2Å; V513-K516 PolarHBondContact O-N 2.96Å; I514-K516 VanDerWaalsContact C-N 3.28Å; I514-K516 PolarHBondContact O-N 2.81Å
517	Q	42.3	Very low	37	Very low	53 Å²	53	106 Å²	106	25%	0.248	55%	0.551	C	S	.	*	H	α-helix	trans	-75	-30.1	178.4	-78.9	-175.6	-9.6	0	0	113.8	Q281 V513 I514 N519 S520	Q281-Q517 PolarHBondContact O-NE2 2.87Å; Q281-Q517 PolarHBondContact O-OE1 3.42Å; V513-Q517 PolarHBondContact O-N 3.31Å; I514-Q517 PolarHBondContact O-N 3.01Å; Q517-N519 PolarHBondContact O-N 2.9Å; Q517-N519 VanDerWaalsContact O-N 3.11Å; Q517-S520 PolarHBondContact O-N 3.49Å; Q517-S520 PolarHBondContact O-OG 3.05Å
518	R	38.2	Very low	36	Very low	145 Å²	145	106.7 Å²	106.7	55%	0.547	56%	0.558	S	S	.	*	H	α-helix	trans	-55	-28.1	173	-88.4	-174.3	176.1	-179.2	-2.2	113.5	L278 I514	L278-R518 VanDerWaalsContact CD1-NH2 3.33Å; I514-R518 PolarHBondContact O-N 3.35Å
519	N	39.6	Very low	35.1	Very low	146 Å²	146	106.2 Å²	106.2	78%	0.781	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	4.7	-178.5	-63.7	-17.5	0	0	0	113.4	Q517	Q517-N519 PolarHBondContact O-N 2.9Å; Q517-N519 VanDerWaalsContact O-N 3.11Å
520	S	34.7	Very low	34.3	Very low	60 Å²	60	112.3 Å²	112.3	42%	0.42	59%	0.587	S	S	.	*	S	Bend	trans	-90.6	140.9	179.3	73.2	0	0	0	0	111.9	Q517 G522	Q517-S520 PolarHBondContact O-N 3.49Å; Q517-S520 PolarHBondContact O-OG 3.05Å; S520-G522 PolarHBondContact O-N 3.18Å
521	S	35.7	Very low	33.5	Very low	133 Å²	133	118.9 Å²	118.9	93%	0.93	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-13	-173.7	50.2	0	0	0	0	115	F523	S521-F523 PolarHBondContact O-N 2.95Å
522	G	31.9	Very low	32.8	Very low	53 Å²	53	121.8 Å²	121.8	55%	0.546	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	9	179.6	0	0	0	0	0	115.4	S520 Q524	S520-G522 PolarHBondContact O-N 3.18Å; G522-Q524 VanDerWaalsContact C-N 3.32Å; G522-Q524 PolarHBondContact O-N 3.23Å
523	F	27.4	Very low	31.9	Very low	100 Å²	100	123.9 Å²	123.9	44%	0.439	64%	0.635	S	S	.	*			trans	-76.7	74.8	-177	-161.9	-93.4	0	0	0	111.6	L278 S521 R525	L278-F523 HydrophobicContact CD2-CZ 4.44Å; S521-F523 PolarHBondContact O-N 2.95Å; F523-R525 HydrophobicContact CE1-CG 4.43Å
524	Q	25.8	Very low	31.1	Very low	160 Å²	160	131.3 Å²	131.3	75%	0.748	67%	0.666	S	S	*	*			trans	-94	119.9	170.2	-83.8	-176.8	-15.6	0	0	111.1	G522 F526	G522-Q524 VanDerWaalsContact C-N 3.32Å; G522-Q524 PolarHBondContact O-N 3.23Å; Q524-F526 HydrophobicContact CB-CD2 4.49Å; Q524-F526 HydrophobicContact CB-CE2 4.05Å; Q524-F526 PolarHBondContact O-N 2.95Å
525	R	26.6	Very low	30.5	Very low	213 Å²	213	135.8 Å²	135.8	80%	0.804	69%	0.69	S	S	*	*			trans	-69.9	116	-178	-67.8	172.3	179	161.4	-1.8	110.3	F523	F523-R525 HydrophobicContact CE1-CG 4.43Å
526	F	25.6	Very low	29.6	Very low	171 Å²	171	138.8 Å²	138.8	75%	0.75	70%	0.704	S	S	*	*			trans	-122.8	125.1	168.1	-76.5	-81.8	0	0	0	110.6	Q524	Q524-F526 HydrophobicContact CB-CD2 4.49Å; Q524-F526 HydrophobicContact CB-CE2 4.05Å; Q524-F526 PolarHBondContact O-N 2.95Å
527	V	24	Very low	28.8	Very low	135 Å²	135	136.2 Å²	136.2	82%	0.818	71%	0.705	S	S	*	*			trans	-94	101.5	169.8	176.8	0	0	0	0	106.3	M529	V527-M529 HydrophobicContact CG1-CG 4.32Å; V527-M529 PolarHBondContact O-N 2.86Å
528	S	22.5	Very low	28.1	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	74%	0.735	S	S	*	*			trans	-85.6	94	166	56.3	0	0	0	0	108.1
529	M	22.7	Very low	27.6	Very low	165 Å²	165	140.5 Å²	140.5	81%	0.813	75%	0.745	S	S	*	*			trans	-74.3	113.7	149.2	-75.8	-101.2	-98.8	0	0	105.1	V527 K531	V527-M529 HydrophobicContact CG1-CG 4.32Å; V527-M529 PolarHBondContact O-N 2.86Å; M529-K531 PolarHBondContact O-N 3.43Å
530	D	24.6	Very low	27.1	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	75%	0.746	S	S	*	*			trans	-58.3	88.4	168.2	-70.3	-41.1	0	0	0	108	E532	D530-E532 PolarHBondContact O-N 3.32Å; D530-E532 VanDerWaalsContact O-N 3.08Å
531	K	25.1	Very low	26.8	Very low	197 Å²	197	144.4 Å²	144.4	86%	0.857	76%	0.761	S	S	*	*			trans	-70.1	94.2	153.6	-82.5	-174.9	175.5	-178.4	0	104	M529 S533	M529-K531 PolarHBondContact O-N 3.43Å; K531-S533 PolarHBondContact O-N 3.39Å
532	E	26.3	Very low	26.4	Very low	168 Å²	168	145.1 Å²	145.1	79%	0.785	76%	0.76	S	S	*	*			trans	-43.9	111.7	161.1	-80.2	178.5	154.7	0	0	107.1	D530 F534	D530-E532 PolarHBondContact O-N 3.32Å; D530-E532 VanDerWaalsContact O-N 3.08Å; E532-F534 PolarHBondContact O-N 2.94Å
533	S	24.5	Very low	26.1	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	76%	0.763	S	S	*	*			trans	-61.7	89.6	170.8	48.1	0	0	0	0	106.7	K531 N535	K531-S533 PolarHBondContact O-N 3.39Å; S533-N535 PolarHBondContact O-N 2.88Å
534	F	26.3	Very low	25.9	Very low	184 Å²	184	149 Å²	149	81%	0.807	79%	0.785	S	S	*	*			trans	-60.7	96.1	159.2	-106.1	-92.4	0	0	0	105.8	E532 Q536	E532-F534 PolarHBondContact O-N 2.94Å; F534-Q536 PolarHBondContact O-N 3.23Å; F534-Q536 VanDerWaalsContact O-N 3.1Å
535	N	28.6	Very low	25.9	Very low	137 Å²	137	148 Å²	148	73%	0.733	78%	0.784	S	S	*	*			trans	-51.6	119	159.8	-83.7	-20.5	0	0	0	106	S533 S537	S533-N535 PolarHBondContact O-N 2.88Å; N535-S537 PolarHBondContact O-N 2.86Å
536	Q	25.1	Very low	25.8	Very low	197 Å²	197	142.4 Å²	142.4	92%	0.921	78%	0.777	S	S	*	*			trans	-56	89	170.1	-75.7	168.6	-53.3	0	0	108.3	F534	F534-Q536 PolarHBondContact O-N 3.23Å; F534-Q536 VanDerWaalsContact O-N 3.1Å
537	S	28.1	Very low	25.8	Very low	95 Å²	95	140.2 Å²	140.2	66%	0.664	78%	0.78	S	S	*	*			trans	-100.7	117.1	154.6	57.9	0	0	0	0	106	N535 V539	N535-S537 PolarHBondContact O-N 2.86Å; S537-V539 PolarHBondContact O-N 2.98Å; S537-V539 VanDerWaalsContact O-N 3.16Å
538	D	26.7	Very low	25.8	Very low	163 Å²	163	139 Å²	139	87%	0.872	78%	0.777	S	S	*	*			trans	-37.4	110.2	-169.2	-62.4	-59.6	0	0	0	114.2	N540	D538-N540 VanDerWaalsContact C-N 3.35Å; D538-N540 PolarHBondContact O-N 3.2Å
539	V	27.2	Very low	26.2	Very low	125 Å²	125	139.6 Å²	139.6	76%	0.758	78%	0.781	S	S	*	*			trans	-78.3	87.8	173.7	-179.7	0	0	0	0	108.2	S537	S537-V539 PolarHBondContact O-N 2.98Å; S537-V539 VanDerWaalsContact O-N 3.16Å
540	N	30.2	Very low	26.6	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	78%	0.776	S	S	*	*			trans	-99.6	85.6	147.7	-95.6	-9.4	0	0	0	107.5	D538	D538-N540 VanDerWaalsContact C-N 3.35Å; D538-N540 PolarHBondContact O-N 3.2Å
541	N	28.8	Very low	26.9	Very low	138 Å²	138	134 Å²	134	74%	0.738	77%	0.77	S	S	*	*	S	Bend	trans	173.1	114.6	135.5	-85.8	-21.1	0	0	0	109.8	S543	N541-S543 PolarHBondContact O-N 2.79Å
542	T	26.9	Very low	27.6	Very low	147 Å²	147	128.5 Å²	128.5	90%	0.902	75%	0.75	S	S	*	*			trans	-44.1	102.7	164.4	38.9	0	0	0	0	112.2
543	S	25.5	Very low	28.2	Very low	90 Å²	90	123.4 Å²	123.4	63%	0.629	73%	0.731	S	S	*	*			trans	-144.3	109.3	146.2	60.5	0	0	0	0	108.3	N541 I545	N541-S543 PolarHBondContact O-N 2.79Å; S543-I545 VanDerWaalsContact C-N 3.27Å; S543-I545 PolarHBondContact O-N 2.88Å
544	T	23.3	Very low	28.8	Very low	145 Å²	145	122 Å²	122	89%	0.89	72%	0.717	S	S	*	*			trans	-65.2	81.7	176.7	40.7	0	0	0	0	109.9	S546	T544-S546 PolarHBondContact O-N 3.22Å
545	I	25.6	Very low	29.2	Very low	140 Å²	140	119.9 Å²	119.9	72%	0.718	71%	0.708	S	S	*	*			trans	-83.3	103.2	170	-59.8	177	0	0	0	107	S543	S543-I545 VanDerWaalsContact C-N 3.27Å; S543-I545 PolarHBondContact O-N 2.88Å
546	S	24	Very low	29.3	Very low	94 Å²	94	117.1 Å²	117.1	66%	0.657	69%	0.692	S	S	*	*			trans	-55.3	139.5	169.9	-55.2	0	0	0	0	109.1	T544 S548	T544-S546 PolarHBondContact O-N 3.22Å; S546-S548 PolarHBondContact O-N 3.07Å
547	P	25.5	Very low	30	Very low	126 Å²	126	111.1 Å²	111.1	82%	0.818	68%	0.683	S	S	*	*			trans	-57.5	113.7	-171.7	23.5	-32	0	0	0	109.2	S549	P547-S549 VanDerWaalsContact C-N 3.31Å; P547-S549 PolarHBondContact O-N 3.24Å
548	S	25.2	Very low	30.5	Very low	110 Å²	110	111.9 Å²	111.9	77%	0.769	69%	0.688	S	S	*	*			trans	-61.8	93.7	178.7	42.4	0	0	0	0	108.6	S546 S550	S546-S548 PolarHBondContact O-N 3.07Å; S548-S550 PolarHBondContact O-N 3.45Å
549	S	29.2	Very low	30.8	Very low	108 Å²	108	108.3 Å²	108.3	76%	0.755	67%	0.667	S	S	*	*			trans	-56.3	99.6	168.1	57.6	0	0	0	0	108.1	P547 S551	P547-S549 VanDerWaalsContact C-N 3.31Å; P547-S549 PolarHBondContact O-N 3.24Å; S549-S551 PolarHBondContact O-N 3.45Å
550	S	31	Very low	31.4	Very low	102 Å²	102	108.2 Å²	108.2	71%	0.713	66%	0.656	S	S	*	*			trans	-49.3	110.9	174.6	49.7	0	0	0	0	109.4	S548 N552	S548-S550 PolarHBondContact O-N 3.45Å; S550-N552 PolarHBondContact O-N 3.44Å
551	S	31.5	Very low	31.6	Very low	95 Å²	95	102.5 Å²	102.5	66%	0.664	63%	0.625	S	S	*	*			trans	-78.7	87.2	-165.2	56.5	0	0	0	0	110.9	S549 T553	S549-S551 PolarHBondContact O-N 3.45Å; S551-T553 PolarHBondContact O-N 3.2Å
552	N	40.8	Very low	32.1	Very low	82 Å²	82	97 Å²	97	44%	0.439	60%	0.595	S	S	.	*			trans	-74.2	35.4	167.5	-79.6	11.3	0	0	0	112.6	S550 L562 V563	S550-N552 PolarHBondContact O-N 3.44Å; N552-L562 CarbonylContact O-C 3.59Å; N552-L562 WeakPolarHBondContact O-CA 3.49Å; N552-V563 WeakPolarHBondContact CB-O 3.22Å; N552-V563 PolarHBondContact ND2-O 3.24Å; N552-V563 PolarHBondContact O-N 3.44Å
553	T	37.7	Very low	32.5	Very low	61 Å²	61	90.7 Å²	90.7	37%	0.374	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	111	174.1	55.7	0	0	0	0	109.2	S551 M561 L562	S551-T553 PolarHBondContact O-N 3.2Å; T553-M561 CarbonylContact C-O 3.6Å; T553-M561 WeakPolarHBondContact CA-O 3.3Å; T553-L562 HydrophobicContact CG2-CD1 4.19Å; T553-L562 HydrophobicContact CG2-CG 4.17Å
554	V	37.2	Very low	33.1	Very low	72 Å²	72	88.2 Å²	88.2	44%	0.436	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.9	174.1	176.6	0	0	0	0	108.3	I556 M561 V563	V554-I556 HydrophobicContact CG1-CG1 4.15Å; V554-M561 PolarHBondContact N-O 2.87Å; V554-M561 PolarHBondContact O-N 3.01Å; V554-M561 VanDerWaalsContact O-O 3.11Å; V554-V563 HydrophobicContact CB-CG2 3.97Å; V554-V563 HydrophobicContact CG2-CG2 3.48Å; V554-V563 VanDerWaalsContact CG2-CG2 3.48Å
555	K	34.2	Very low	33.7	Very low	141 Å²	141	86.2 Å²	86.2	61%	0.613	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.9	174.7	-147	-178.1	-178.8	-173.8	0	108.3	Q559 K560	K555-Q559 CarbonylContact C-O 3.36Å; K555-Q559 WeakPolarHBondContact CA-O 3.43Å; K555-K560 HydrophobicContact CG-CG 4.29Å
556	I	31.2	Very low	34.4	Very low	79 Å²	79	80.3 Å²	80.3	41%	0.405	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	103.8	174	-57.4	-172.9	0	0	0	106.7	I370 V554 S558 Q559 M561	I370-I556 HydrophobicContact CD1-CD1 4.1Å; I370-I556 HydrophobicContact CG2-CD1 4.06Å; V554-I556 HydrophobicContact CG1-CG1 4.15Å; I556-S558 PolarHBondContact O-N 3.15Å; I556-Q559 PolarHBondContact N-O 3.45Å; I556-Q559 PolarHBondContact O-N 3.48Å; I556-M561 HydrophobicContact CB-CE 4.18Å; I556-M561 HydrophobicContact CB-SD 4.07Å; I556-M561 HydrophobicContact CD1-SD 3.72Å; I556-M561 HydrophobicContact CG1-SD 4.08Å
557	G	40.6	Very low	35.2	Very low	70 Å²	70	77.4 Å²	77.4	72%	0.722	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-128.3	-169.3	0	0	0	0	0	111.9
558	S	37.6	Very low	36	Very low	112 Å²	112	72 Å²	72	78%	0.783	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.7	178	55.9	0	0	0	0	114	I556	I556-S558 PolarHBondContact O-N 3.15Å
559	Q	33.3	Very low	36.9	Very low	88 Å²	88	71.8 Å²	71.8	41%	0.411	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.9	-171.5	-65.7	-177.5	-26.7	0	0	112.2	E372 K555 I556 M561	E372-Q559 PolarHBondContact OE1-NE2 2.83Å; K555-Q559 CarbonylContact C-O 3.36Å; K555-Q559 WeakPolarHBondContact CA-O 3.43Å; I556-Q559 PolarHBondContact N-O 3.45Å; I556-Q559 PolarHBondContact O-N 3.48Å; Q559-M561 HydrophobicContact CB-CE 4.2Å
560	K	39.8	Very low	37.7	Very low	122 Å²	122	71.1 Å²	71.1	53%	0.53	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.6	169	-75.1	-175.3	177.9	-178	0	109.1	W373 K555	W373-K560 WeakPolarHBondContact CB-O 3.25Å; W373-K560 HydrophobicContact CE3-CB 4.42Å; K555-K560 HydrophobicContact CG-CG 4.29Å
561	M	35	Very low	38.4	Very low	30 Å²	30	68 Å²	68	15%	0.148	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.1	178.8	-58.8	-168.5	-179.6	0	0	110.3	I370 T553 V554 I556 Q559	I370-M561 HydrophobicContact CG2-CB 3.58Å; I370-M561 HydrophobicContact CG2-CG 4.23Å; I370-M561 HydrophobicContact CG2-SD 3.63Å; T553-M561 CarbonylContact C-O 3.6Å; T553-M561 WeakPolarHBondContact CA-O 3.3Å; V554-M561 PolarHBondContact N-O 2.87Å; V554-M561 PolarHBondContact O-N 3.01Å; V554-M561 VanDerWaalsContact O-O 3.11Å; I556-M561 HydrophobicContact CB-CE 4.18Å; I556-M561 HydrophobicContact CB-SD 4.07Å; I556-M561 HydrophobicContact CD1-SD 3.72Å; I556-M561 HydrophobicContact CG1-SD 4.08Å; Q559-M561 HydrophobicContact CB-CE 4.2Å
562	L	38.2	Very low	39.1	Very low	23 Å²	23	68.2 Å²	68.2	12%	0.12	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	-177.1	-139.2	139.2	0	0	0	109.8	I370 A371 N552 T553 L564	I370-L562 WeakPolarHBondContact CA-O 2.99Å; A371-L562 PolarHBondContact N-O 3.13Å; A371-L562 PolarHBondContact O-N 2.85Å; N552-L562 CarbonylContact O-C 3.59Å; N552-L562 WeakPolarHBondContact O-CA 3.49Å; T553-L562 HydrophobicContact CG2-CD1 4.19Å; T553-L562 HydrophobicContact CG2-CG 4.17Å; L562-L564 HydrophobicContact CD2-CG 4.33Å
563	V	35.4	Very low	39.5	Very low	15 Å²	15	67.3 Å²	67.3	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.8	-179.8	-173.8	0	0	0	0	109.4	I370 N552 V554 E565	I370-V563 HydrophobicContact CG1-CG2 4.21Å; N552-V563 WeakPolarHBondContact CB-O 3.22Å; N552-V563 PolarHBondContact ND2-O 3.24Å; N552-V563 PolarHBondContact O-N 3.44Å; V554-V563 HydrophobicContact CB-CG2 3.97Å; V554-V563 HydrophobicContact CG2-CG2 3.48Å; V554-V563 VanDerWaalsContact CG2-CG2 3.48Å; V563-E565 HydrophobicContact CG1-CG 4.28Å
564	L	38.7	Very low	40.1	Very low	37 Å²	37	67.1 Å²	67.1	19%	0.194	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.5	176.1	-74.4	158.2	0	0	0	109	S368 I369 L383 L386 L562	S368-L564 CarbonylContact C-O 3.59Å; S368-L564 VanDerWaalsContact CA-O 3.31Å; S368-L564 WeakPolarHBondContact CA-O 3.48Å; I369-L564 PolarHBondContact N-O 3.1Å; I369-L564 PolarHBondContact O-N 3.42Å; L383-L564 HydrophobicContact CD2-CD2 4.21Å; L386-L564 HydrophobicContact CD1-CD1 3.53Å; L562-L564 HydrophobicContact CD2-CG 4.33Å
565	E	36.9	Very low	40.9	Very low	104 Å²	104	67.9 Å²	67.9	49%	0.486	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.6	173	-52	-152.3	136	0	0	108.7	S368 V563	S368-E565 WeakPolarHBondContact CB-OE1 3.44Å; S368-E565 PolarHBondContact OG-OE1 3.17Å; V563-E565 HydrophobicContact CG1-CG 4.28Å
566	A	39.7	Very low	42.1	Very low	15 Å²	15	65.6 Å²	65.6	12%	0.124	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.2	174.6	0	0	0	0	0	110.6	T366 I367 Y570 F571	T366-A566 CarbonylContact C-O 3.58Å; T366-A566 VanDerWaalsContact CA-O 3.28Å; T366-A566 WeakPolarHBondContact CA-O 3.33Å; I367-A566 PolarHBondContact N-O 3.47Å; I367-A566 PolarHBondContact O-N 3.14Å; A566-Y570 HydrophobicContact CB-CD1 3.8Å; A566-Y570 HydrophobicContact CB-CG 4.32Å; A566-F571 HydrophobicContact CB-CE2 3.75Å; A566-F571 HydrophobicContact CB-CZ 3.71Å; A566-F571 WeakPolarHBondContact O-CE2 3.22Å
567	P	41.1	Very low	43.6	Very low	33 Å²	33	67.7 Å²	67.7	21%	0.214	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	145	173.6	-24.8	34.6	0	0	0	112.2	L364 Y569 Y570	L364-P567 HydrophobicContact CB-CB 4.34Å; L364-P567 HydrophobicContact CD1-CB 4.3Å; L364-P567 HydrophobicContact CD1-CG 4.4Å; L364-P567 HydrophobicContact CD2-CB 4.38Å; P567-Y569 HydrophobicContact CB-CD1 3.49Å; P567-Y569 VanDerWaalsContact CB-CD1 3.49Å; P567-Y569 HydrophobicContact CB-CE1 3.24Å; P567-Y569 HydrophobicContact CB-CG 4.46Å; P567-Y569 HydrophobicContact CG-CD1 4.48Å; P567-Y569 HydrophobicContact CG-CE1 3.77Å; P567-Y569 PolarHBondContact O-N 2.93Å; P567-Y569 VanDerWaalsContact O-N 3.12Å; P567-Y570 VanDerWaalsContact O-CB 3.25Å; P567-Y570 WeakPolarHBondContact O-CB 3.32Å; P567-Y570 PolarHBondContact O-N 3.49Å
568	A	41.5	Very low	44.6	Very low	13 Å²	13	65.9 Å²	65.9	11%	0.107	33%	0.333	C	S	.	.	H	α-helix	trans	-55.8	-34.1	-177.1	0	0	0	0	0	114.4	T325 I365 I367 Y570 F571 N572	T325-A568 HydrophobicContact CG2-CB 3.4Å; I365-A568 PolarHBondContact O-N 3.43Å; I367-A568 HydrophobicContact CD1-CB 3.84Å; I367-A568 HydrophobicContact CG1-CB 4.24Å; A568-Y570 VanDerWaalsContact C-N 3.26Å; A568-Y570 PolarHBondContact O-N 3.22Å; A568-F571 PolarHBondContact O-N 2.92Å; A568-N572 PolarHBondContact O-N 3.08Å
569	Y	45	Very low	46.1	Very low	106 Å²	106	65 Å²	65	42%	0.416	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-29.1	177.6	75.9	-97.8	0	0	0	113.1	L364 P567 F571 N572 T573	L364-Y569 HydrophobicContact CD1-CE1 4.05Å; L364-Y569 HydrophobicContact CD2-CD1 4.1Å; L364-Y569 HydrophobicContact CD2-CE1 4.33Å; P567-Y569 HydrophobicContact CB-CD1 3.49Å; P567-Y569 VanDerWaalsContact CB-CD1 3.49Å; P567-Y569 HydrophobicContact CB-CE1 3.24Å; P567-Y569 HydrophobicContact CB-CG 4.46Å; P567-Y569 HydrophobicContact CG-CD1 4.48Å; P567-Y569 HydrophobicContact CG-CE1 3.77Å; P567-Y569 PolarHBondContact O-N 2.93Å; P567-Y569 VanDerWaalsContact O-N 3.12Å; Y569-F571 VanDerWaalsContact C-N 3.31Å; Y569-F571 PolarHBondContact O-N 2.89Å; Y569-N572 PolarHBondContact O-N 2.76Å; Y569-T573 PolarHBondContact O-N 3.33Å; Y569-T573 PolarHBondContact O-OG1 3.06Å
570	Y	45.6	Very low	48.1	Very low	94 Å²	94	64.1 Å²	64.1	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-40.1	177.5	-173.3	-105.4	0	0	0	110.3	A566 P567 A568 T573 L574	A566-Y570 HydrophobicContact CB-CD1 3.8Å; A566-Y570 HydrophobicContact CB-CG 4.32Å; P567-Y570 VanDerWaalsContact O-CB 3.25Å; P567-Y570 WeakPolarHBondContact O-CB 3.32Å; P567-Y570 PolarHBondContact O-N 3.49Å; A568-Y570 VanDerWaalsContact C-N 3.26Å; A568-Y570 PolarHBondContact O-N 3.22Å; Y570-T573 WeakPolarHBondContact O-CB 3.48Å; Y570-T573 PolarHBondContact O-N 3.21Å; Y570-L574 HydrophobicContact CD1-CD1 3.73Å; Y570-L574 HydrophobicContact CD1-CG 4.22Å; Y570-L574 HydrophobicContact CE1-CD1 3.51Å; Y570-L574 HydrophobicContact CE1-CD2 4.42Å; Y570-L574 HydrophobicContact CE1-CG 4.02Å; Y570-L574 WeakPolarHBondContact O-CG 3.32Å; Y570-L574 PolarHBondContact O-N 2.98Å
571	F	45	Very low	49.7	Very low	37 Å²	37	63.1 Å²	63.1	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-36.6	175.8	-64.2	-67	0	0	0	113.1	I367 I369 A566 A568 Y569 T573 L574 H575	I367-F571 HydrophobicContact CB-CD2 3.9Å; I367-F571 HydrophobicContact CB-CE2 3.6Å; I367-F571 HydrophobicContact CB-CZ 4.46Å; I367-F571 HydrophobicContact CD1-CD2 4.19Å; I367-F571 HydrophobicContact CG1-CD2 4.45Å; I367-F571 HydrophobicContact CG2-CE2 4.26Å; I367-F571 VanDerWaalsContact O-CE2 3.26Å; I367-F571 WeakPolarHBondContact O-CE2 3.41Å; I367-F571 WeakPolarHBondContact O-CZ 3.47Å; I369-F571 HydrophobicContact CD1-CD1 3.58Å; I369-F571 HydrophobicContact CD1-CE1 3.1Å; I369-F571 HydrophobicContact CD1-CZ 3.7Å; I369-F571 HydrophobicContact CG1-CE1 3.73Å; I369-F571 HydrophobicContact CG1-CZ 3.78Å; A566-F571 HydrophobicContact CB-CE2 3.75Å; A566-F571 HydrophobicContact CB-CZ 3.71Å; A566-F571 WeakPolarHBondContact O-CE2 3.22Å; A568-F571 PolarHBondContact O-N 2.92Å; Y569-F571 VanDerWaalsContact C-N 3.31Å; Y569-F571 PolarHBondContact O-N 2.89Å; F571-T573 VanDerWaalsContact C-N 3.3Å; F571-T573 PolarHBondContact O-N 3.41Å; F571-L574 HydrophobicContact CD1-CD1 4.14Å; F571-L574 HydrophobicContact CE1-CD1 4.49Å; F571-L574 PolarHBondContact O-N 3.3Å; F571-H575 VanDerWaalsContact O-CB 3.27Å; F571-H575 WeakPolarHBondContact O-CB 3.4Å; F571-H575 PolarHBondContact O-N 3.41Å
572	N	46.4	Very low	51.8	Low	98 Å²	98	65.7 Å²	65.7	52%	0.524	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-41.4	173	-166.1	16.1	0	0	0	110.8	A568 Y569 H575 H576	A568-N572 PolarHBondContact O-N 3.08Å; Y569-N572 PolarHBondContact O-N 2.76Å; N572-H575 PolarHBondContact O-N 3.27Å; N572-H576 VanDerWaalsContact O-CB 3.26Å; N572-H576 WeakPolarHBondContact O-CB 3.17Å; N572-H576 PolarHBondContact O-N 3.07Å
573	T	49.7	Very low	54	Low	63 Å²	63	65 Å²	65	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-44.5	175.1	-53.9	0	0	0	0	111.5	Y569 Y570 F571 H576 K577	Y569-T573 PolarHBondContact O-N 3.33Å; Y569-T573 PolarHBondContact O-OG1 3.06Å; Y570-T573 WeakPolarHBondContact O-CB 3.48Å; Y570-T573 PolarHBondContact O-N 3.21Å; F571-T573 VanDerWaalsContact C-N 3.3Å; F571-T573 PolarHBondContact O-N 3.41Å; T573-H576 PolarHBondContact O-N 3.01Å; T573-K577 HydrophobicContact CG2-CD 4.38Å; T573-K577 WeakPolarHBondContact O-CB 3.43Å; T573-K577 WeakPolarHBondContact O-CG 3.24Å; T573-K577 PolarHBondContact O-N 2.65Å
574	L	50.3	Low	56.5	Low	58 Å²	58	68.1 Å²	68.1	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-43.6	174.5	-73.7	174.9	0	0	0	112	Y570 F571 K577 A578	Y570-L574 HydrophobicContact CD1-CD1 3.73Å; Y570-L574 HydrophobicContact CD1-CG 4.22Å; Y570-L574 HydrophobicContact CE1-CD1 3.51Å; Y570-L574 HydrophobicContact CE1-CD2 4.42Å; Y570-L574 HydrophobicContact CE1-CG 4.02Å; Y570-L574 WeakPolarHBondContact O-CG 3.32Å; Y570-L574 PolarHBondContact O-N 2.98Å; F571-L574 HydrophobicContact CD1-CD1 4.14Å; F571-L574 HydrophobicContact CE1-CD1 4.49Å; F571-L574 PolarHBondContact O-N 3.3Å; L574-K577 PolarHBondContact O-N 2.88Å; L574-A578 WeakPolarHBondContact O-CB 3.29Å; L574-A578 PolarHBondContact O-N 3.14Å
575	H	54.9	Low	58.6	Low	88 Å²	88	70 Å²	70	41%	0.407	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-39.5	178.5	-170	66.2	0	0	0	111.7	F571 N572 A578 K579	F571-H575 VanDerWaalsContact O-CB 3.27Å; F571-H575 WeakPolarHBondContact O-CB 3.4Å; F571-H575 PolarHBondContact O-N 3.41Å; N572-H575 PolarHBondContact O-N 3.27Å; H575-A578 PolarHBondContact O-N 2.89Å; H575-K579 PolarHBondContact CD2-NZ 3.03Å; H575-K579 VanDerWaalsContact CD2-NZ 3.33Å; H575-K579 WeakPolarHBondContact NE2-CE 3.32Å; H575-K579 PolarHBondContact NE2-NZ 3.47Å; H575-K579 WeakPolarHBondContact O-CB 3.45Å; H575-K579 WeakPolarHBondContact O-CG 3.3Å; H575-K579 PolarHBondContact O-N 3.46Å
576	H	58.8	Low	61.1	Low	92 Å²	92	65.1 Å²	65.1	43%	0.426	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-43.7	173.3	-169.3	-84.2	0	0	0	111.5	N572 T573 A578 K579 L580 M855	N572-H576 VanDerWaalsContact O-CB 3.26Å; N572-H576 WeakPolarHBondContact O-CB 3.17Å; N572-H576 PolarHBondContact O-N 3.07Å; T573-H576 PolarHBondContact O-N 3.01Å; H576-A578 PolarHBondContact O-N 3.45Å; H576-K579 PolarHBondContact O-N 3.39Å; H576-L580 WeakPolarHBondContact O-CB 3.45Å; H576-L580 WeakPolarHBondContact O-CG 3.41Å; H576-L580 PolarHBondContact O-N 2.74Å; H576-M855 WeakPolarHBondContact CE1-CE 3.29Å; H576-M855 WeakPolarHBondContact NE2-CE 3.42Å
577	K	62.2	Low	63.6	Low	123 Å²	123	67.5 Å²	67.5	54%	0.535	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-41.3	173	-77.1	178.2	178.7	179.1	0	111.8	T573 L574 L580 K581	T573-K577 HydrophobicContact CG2-CD 4.38Å; T573-K577 WeakPolarHBondContact O-CB 3.43Å; T573-K577 WeakPolarHBondContact O-CG 3.24Å; T573-K577 PolarHBondContact O-N 2.65Å; L574-K577 PolarHBondContact O-N 2.88Å; K577-L580 PolarHBondContact O-N 2.73Å; K577-K581 WeakPolarHBondContact O-CB 3.28Å; K577-K581 PolarHBondContact O-N 2.87Å
578	A	61.1	Low	65.9	Low	32 Å²	32	69.7 Å²	69.7	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-43.4	176.3	0	0	0	0	0	111.8	P388 L574 H575 H576 K581 H582	P388-A578 HydrophobicContact CG-CB 4.17Å; L574-A578 WeakPolarHBondContact O-CB 3.29Å; L574-A578 PolarHBondContact O-N 3.14Å; H575-A578 PolarHBondContact O-N 2.89Å; H576-A578 PolarHBondContact O-N 3.45Å; A578-K581 PolarHBondContact O-N 2.97Å; A578-H582 PolarHBondContact O-N 3.21Å
579	K	69.7	Low	68.2	Low	94 Å²	94	72.2 Å²	72.2	41%	0.409	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-44.9	172.9	-78.6	175.8	170.6	164.9	0	111.6	H575 H576 K581 H582 C583 M855	H575-K579 PolarHBondContact CD2-NZ 3.03Å; H575-K579 VanDerWaalsContact CD2-NZ 3.33Å; H575-K579 WeakPolarHBondContact NE2-CE 3.32Å; H575-K579 PolarHBondContact NE2-NZ 3.47Å; H575-K579 WeakPolarHBondContact O-CB 3.45Å; H575-K579 WeakPolarHBondContact O-CG 3.3Å; H575-K579 PolarHBondContact O-N 3.46Å; H576-K579 PolarHBondContact O-N 3.39Å; K579-K581 PolarHBondContact O-N 3.49Å; K579-H582 WeakPolarHBondContact O-CB 3.39Å; K579-H582 PolarHBondContact O-N 2.86Å; K579-C583 PolarHBondContact O-N 2.87Å; K579-C583 PolarHBondContact O-SG 3.24Å; K579-M855 HydrophobicContact CB-SD 4.09Å
580	L	74.7	Confident	70.4	Confident	70 Å²	70	67.2 Å²	67.2	37%	0.366	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-44.8	174.5	-81.9	171.6	0	0	0	112.4	H576 K577 H582 C583 S584 M855 L859	H576-L580 WeakPolarHBondContact O-CB 3.45Å; H576-L580 WeakPolarHBondContact O-CG 3.41Å; H576-L580 PolarHBondContact O-N 2.74Å; K577-L580 PolarHBondContact O-N 2.73Å; L580-H582 VanDerWaalsContact C-N 3.31Å; L580-H582 PolarHBondContact O-N 3.21Å; L580-C583 PolarHBondContact O-N 2.79Å; L580-S584 WeakPolarHBondContact O-CB 3.33Å; L580-S584 PolarHBondContact O-N 3.26Å; L580-M855 HydrophobicContact CD1-CE 4.06Å; L580-M855 HydrophobicContact CD2-CE 3.21Å; L580-M855 HydrophobicContact CD2-SD 3.96Å; L580-M855 HydrophobicContact CG-CE 3.45Å; L580-M855 VanDerWaalsContact CG-CE 3.45Å; L580-M855 HydrophobicContact CG-SD 3.82Å; L580-L859 HydrophobicContact CD2-CD1 3.99Å
581	K	73.8	Confident	72.6	Confident	100 Å²	100	64.4 Å²	64.4	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-44.4	175.5	-174.8	-175.2	174.8	-168	0	110.8	P388 K577 A578 K579 S584 M585	P388-K581 PolarHBondContact O-NZ 3.32Å; K577-K581 WeakPolarHBondContact O-CB 3.28Å; K577-K581 PolarHBondContact O-N 2.87Å; A578-K581 PolarHBondContact O-N 2.97Å; K579-K581 PolarHBondContact O-N 3.49Å; K581-S584 WeakPolarHBondContact O-CB 3.38Å; K581-S584 PolarHBondContact O-N 3.23Å; K581-M585 WeakPolarHBondContact O-CB 3.42Å; K581-M585 PolarHBondContact O-N 3.07Å
582	H	79	Confident	74.7	Confident	85 Å²	85	69.9 Å²	69.9	39%	0.394	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-46.3	175	174.9	71.3	0	0	0	112.1	A578 K579 L580 S584 M585 L586 E846	A578-H582 PolarHBondContact O-N 3.21Å; K579-H582 WeakPolarHBondContact O-CB 3.39Å; K579-H582 PolarHBondContact O-N 2.86Å; L580-H582 VanDerWaalsContact C-N 3.31Å; L580-H582 PolarHBondContact O-N 3.21Å; H582-S584 VanDerWaalsContact C-N 3.27Å; H582-S584 PolarHBondContact O-N 3.38Å; H582-M585 PolarHBondContact O-N 2.99Å; H582-M585 VanDerWaalsContact O-N 3.17Å; H582-L586 WeakPolarHBondContact O-CB 2.89Å; H582-L586 PolarHBondContact O-N 2.88Å; H582-E846 IonicContact CE1-OE1 3.88Å; H582-E846 PolarHBondContact CE1-OE1 3.48Å; H582-E846 IonicContact ND1-OE1 3.18Å; H582-E846 IonicContact NE2-OE1 2.64Å; H582-E846 PolarHBondContact NE2-OE1 3.11Å
583	C	85.5	Confident	76.7	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-38.4	175.6	-51.2	0	0	0	0	111.9	K579 L580 K587 C856 L859	K579-C583 PolarHBondContact O-N 2.87Å; K579-C583 PolarHBondContact O-SG 3.24Å; L580-C583 PolarHBondContact O-N 2.79Å; C583-K587 WeakPolarHBondContact O-CB 3.34Å; C583-K587 PolarHBondContact O-N 3.44Å; C583-C856 WeakPolarHBondContact CA-SG 3.3Å; C583-C856 HydrophobicContact CB-CB 3.94Å; C583-C856 WeakPolarHBondContact CB-SG 3.25Å; C583-C856 WeakPolarHBondContact SG-CA 3.42Å; C583-C856 WeakPolarHBondContact SG-CB 3.47Å; C583-C856 PolarHBondContact SG-N 2.98Å; C583-C856 CovalentContact SG-SG 2.04Å; C583-C856 PolarHBondContact SG-SG 2.85Å; C583-L859 HydrophobicContact CB-CD1 4.28Å
584	S	86	Confident	78.6	Confident	79 Å²	79	62.6 Å²	62.6	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-65.8	-41.2	175.6	-171.7	0	0	0	0	112.1	L580 K581 H582 K587 S588	L580-S584 WeakPolarHBondContact O-CB 3.33Å; L580-S584 PolarHBondContact O-N 3.26Å; K581-S584 WeakPolarHBondContact O-CB 3.38Å; K581-S584 PolarHBondContact O-N 3.23Å; H582-S584 VanDerWaalsContact C-N 3.27Å; H582-S584 PolarHBondContact O-N 3.38Å; S584-K587 PolarHBondContact O-N 2.78Å; S584-S588 PolarHBondContact O-N 2.83Å
585	M	84.5	Confident	80.5	Confident	78 Å²	78	63.3 Å²	63.3	38%	0.384	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-45.3	176.3	-177.2	-179.8	166.8	0	0	111	K581 H582 K587 S588 K589	K581-M585 WeakPolarHBondContact O-CB 3.42Å; K581-M585 PolarHBondContact O-N 3.07Å; H582-M585 PolarHBondContact O-N 2.99Å; H582-M585 VanDerWaalsContact O-N 3.17Å; M585-K587 VanDerWaalsContact C-N 3.34Å; M585-K587 PolarHBondContact O-N 3.44Å; M585-S588 WeakPolarHBondContact O-CB 3.29Å; M585-S588 PolarHBondContact O-N 3.36Å; M585-S588 VanDerWaalsContact O-N 3.14Å; M585-K589 WeakPolarHBondContact O-CG 3.35Å; M585-K589 PolarHBondContact O-N 2.81Å
586	L	88.2	Confident	82	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-42.4	174.9	-178.1	60.2	0	0	0	111.7	H582 S588 K589 L590 V843 I847 M850 F860	H582-L586 WeakPolarHBondContact O-CB 2.89Å; H582-L586 PolarHBondContact O-N 2.88Å; L586-S588 VanDerWaalsContact C-N 3.33Å; L586-S588 PolarHBondContact O-N 3.39Å; L586-K589 PolarHBondContact O-N 2.83Å; L586-L590 WeakPolarHBondContact O-CG 3.23Å; L586-L590 PolarHBondContact O-N 3.38Å; L586-V843 HydrophobicContact CD1-CG1 3.95Å; L586-I847 HydrophobicContact CD1-CD1 4.35Å; L586-I847 HydrophobicContact CD1-CG1 4.16Å; L586-I847 HydrophobicContact CD2-CG1 4.08Å; L586-M850 HydrophobicContact CD2-CE 3.36Å; L586-F860 HydrophobicContact CD2-CE2 3.96Å; L586-F860 HydrophobicContact CD2-CZ 4.42Å; L586-F860 HydrophobicContact CG-CE2 4.33Å; L586-F860 HydrophobicContact CG-CZ 4.32Å
587	K	91.6	Very high	83.4	Confident	65 Å²	65	57.3 Å²	57.3	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-44.7	172.5	-176	175.3	179.5	170.5	0	111.2	C583 S584 M585 K589 L590 V591 D808 V811 Y812 F860	C583-K587 WeakPolarHBondContact O-CB 3.34Å; C583-K587 PolarHBondContact O-N 3.44Å; S584-K587 PolarHBondContact O-N 2.78Å; M585-K587 VanDerWaalsContact C-N 3.34Å; M585-K587 PolarHBondContact O-N 3.44Å; K587-K589 PolarHBondContact O-N 3.49Å; K587-L590 PolarHBondContact O-N 2.79Å; K587-V591 VanDerWaalsContact O-CG2 3.31Å; K587-V591 WeakPolarHBondContact O-CG2 3.45Å; K587-V591 PolarHBondContact O-N 3.02Å; K587-D808 WeakPolarHBondContact CE-OD1 3.4Å; K587-D808 IonicContact NZ-OD1 3.89Å; K587-D808 PolarHBondContact NZ-OD1 2.67Å; K587-V811 HydrophobicContact CG-CG1 4.34Å; K587-Y812 PolarHBondContact NZ-OH 3.22Å; K587-F860 HydrophobicContact CB-CE1 4.44Å; K587-F860 HydrophobicContact CB-CZ 4.03Å
588	S	89.5	Confident	84.6	Confident	78 Å²	78	51.4 Å²	51.4	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-38.8	177.6	-170.8	0	0	0	0	112.9	S584 M585 L586 V591 K592	S584-S588 PolarHBondContact O-N 2.83Å; M585-S588 WeakPolarHBondContact O-CB 3.29Å; M585-S588 PolarHBondContact O-N 3.36Å; M585-S588 VanDerWaalsContact O-N 3.14Å; L586-S588 VanDerWaalsContact C-N 3.33Å; L586-S588 PolarHBondContact O-N 3.39Å; S588-V591 PolarHBondContact O-N 2.85Å; S588-K592 PolarHBondContact O-N 2.5Å
589	K	90.1	Very high	85.9	Confident	67 Å²	67	52 Å²	52	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-47.1	173.3	-68.5	-176.6	-173	175.7	0	110.8	M585 L586 K587 V591 K592 L593 V843 E846	M585-K589 WeakPolarHBondContact O-CG 3.35Å; M585-K589 PolarHBondContact O-N 2.81Å; L586-K589 PolarHBondContact O-N 2.83Å; K587-K589 PolarHBondContact O-N 3.49Å; K589-V591 PolarHBondContact O-N 3.5Å; K589-K592 PolarHBondContact O-N 2.87Å; K589-L593 PolarHBondContact O-N 3.4Å; K589-V843 HydrophobicContact CB-CG2 4.29Å; K589-V843 HydrophobicContact CD-CG2 3.82Å; K589-E846 IonicContact NZ-OE2 2.69Å; K589-E846 PolarHBondContact NZ-OE2 2.85Å
590	L	91.2	Very high	86.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-40.3	176.8	-71.1	172.1	0	0	0	112.6	L586 K587 L593 V594 V811 K814 F815 Y818 V843 I847 F860	L586-L590 WeakPolarHBondContact O-CG 3.23Å; L586-L590 PolarHBondContact O-N 3.38Å; K587-L590 PolarHBondContact O-N 2.79Å; L590-L593 PolarHBondContact O-N 2.9Å; L590-V594 WeakPolarHBondContact O-CB 3.31Å; L590-V594 WeakPolarHBondContact O-CG2 3.35Å; L590-V594 PolarHBondContact O-N 3.26Å; L590-V811 HydrophobicContact CB-CG1 3.82Å; L590-V811 HydrophobicContact CB-CG2 4.32Å; L590-V811 HydrophobicContact CD1-CG1 4.09Å; L590-K814 HydrophobicContact CD2-CB 4.37Å; L590-K814 HydrophobicContact CD2-CG 3.94Å; L590-F815 HydrophobicContact CD1-CB 4.42Å; L590-Y818 HydrophobicContact CD2-CD2 4.31Å; L590-Y818 HydrophobicContact CD2-CE2 4.48Å; L590-V843 HydrophobicContact CD2-CG1 4.02Å; L590-V843 HydrophobicContact CG-CG1 4.49Å; L590-I847 HydrophobicContact CD1-CD1 3.92Å; L590-I847 HydrophobicContact CD2-CD1 3.88Å; L590-I847 HydrophobicContact CG-CD1 4.28Å; L590-F860 HydrophobicContact CD1-CE1 3.78Å; L590-F860 HydrophobicContact CD1-CZ 4.06Å
591	V	91.6	Very high	87.4	Confident	36 Å²	36	47.3 Å²	47.3	22%	0.218	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-51	174.5	165.6	0	0	0	0	110.4	K587 S588 K589 L593 V594 Q595 I807 V811	K587-V591 VanDerWaalsContact O-CG2 3.31Å; K587-V591 WeakPolarHBondContact O-CG2 3.45Å; K587-V591 PolarHBondContact O-N 3.02Å; S588-V591 PolarHBondContact O-N 2.85Å; K589-V591 PolarHBondContact O-N 3.5Å; V591-L593 VanDerWaalsContact C-N 3.31Å; V591-L593 PolarHBondContact O-N 2.75Å; V591-V594 PolarHBondContact O-N 3.4Å; V591-Q595 WeakPolarHBondContact O-CG 3.41Å; V591-Q595 PolarHBondContact O-N 2.88Å; V591-I807 HydrophobicContact CB-CG2 4.43Å; V591-I807 HydrophobicContact CG1-CG2 3.89Å; V591-I807 HydrophobicContact CG2-CG2 4.24Å; V591-V811 HydrophobicContact CB-CG2 4.26Å; V591-V811 HydrophobicContact CG2-CG2 3.61Å
592	K	89.3	Confident	88.1	Confident	151 Å²	151	42.6 Å²	42.6	66%	0.657	22%	0.222	S	C	*	.	H	α-helix	trans	-60.2	-43	179.3	-174.2	-179.6	179.3	-176.4	0	111.3	S588 K589 Q595 T596	S588-K592 PolarHBondContact O-N 2.5Å; K589-K592 PolarHBondContact O-N 2.87Å; K592-Q595 PolarHBondContact O-N 2.96Å; K592-T596 WeakPolarHBondContact O-CB 3.3Å; K592-T596 PolarHBondContact O-N 3.35Å; K592-T596 PolarHBondContact O-OG1 3.2Å
593	L	89.1	Confident	88.7	Confident	9 Å²	9	41.9 Å²	41.9	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-48.6	178.7	-169.9	152.5	0	0	0	111.4	K589 L590 V591 Q595 T596 E597 K814 Y818 E840	K589-L593 PolarHBondContact O-N 3.4Å; L590-L593 PolarHBondContact O-N 2.9Å; V591-L593 VanDerWaalsContact C-N 3.31Å; V591-L593 PolarHBondContact O-N 2.75Å; L593-Q595 PolarHBondContact O-N 3.46Å; L593-T596 PolarHBondContact O-N 2.89Å; L593-E597 VanDerWaalsContact CD2-CD 3.46Å; L593-E597 HydrophobicContact CD2-CG 3.93Å; L593-E597 WeakPolarHBondContact O-CG 3.44Å; L593-E597 PolarHBondContact O-N 3.04Å; L593-K814 HydrophobicContact CD2-CD 3.57Å; L593-K814 HydrophobicContact CD2-CG 3.97Å; L593-Y818 HydrophobicContact CD1-CE2 4.11Å; L593-Y818 VanDerWaalsContact CD1-OH 3.23Å; L593-Y818 WeakPolarHBondContact CD1-OH 3.46Å; L593-E840 HydrophobicContact CD1-CB 3.85Å; L593-E840 WeakPolarHBondContact CD1-OE2 3.33Å
594	V	89.9	Confident	88.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-46.4	178.2	165	0	0	0	0	111.7	L590 V591 T596 E597 L598 Y764 I807 A810 V811 K814	L590-V594 WeakPolarHBondContact O-CB 3.31Å; L590-V594 WeakPolarHBondContact O-CG2 3.35Å; L590-V594 PolarHBondContact O-N 3.26Å; V591-V594 PolarHBondContact O-N 3.4Å; V594-T596 VanDerWaalsContact C-N 3.29Å; V594-T596 PolarHBondContact O-N 3.48Å; V594-E597 PolarHBondContact O-N 2.98Å; V594-L598 HydrophobicContact CG1-CD1 4.01Å; V594-L598 WeakPolarHBondContact O-CB 3.31Å; V594-L598 WeakPolarHBondContact O-CG 3.41Å; V594-L598 PolarHBondContact O-N 2.96Å; V594-Y764 HydrophobicContact CG1-CD2 4.3Å; V594-Y764 HydrophobicContact CG1-CE2 4.27Å; V594-I807 HydrophobicContact CG1-CD1 4.23Å; V594-A810 HydrophobicContact CG1-CB 3.47Å; V594-A810 VanDerWaalsContact CG1-CB 3.47Å; V594-A810 HydrophobicContact CG2-CB 4.5Å; V594-V811 HydrophobicContact CG2-CG2 4.22Å; V594-K814 HydrophobicContact CG2-CB 3.79Å; V594-K814 HydrophobicContact CG2-CG 4.21Å
595	Q	89.1	Confident	88.9	Confident	73 Å²	73	38.9 Å²	38.9	34%	0.341	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-41	177.4	-74.2	177.1	-25.2	0	0	111.6	V591 K592 L593 L598 L599 I807	V591-Q595 WeakPolarHBondContact O-CG 3.41Å; V591-Q595 PolarHBondContact O-N 2.88Å; K592-Q595 PolarHBondContact O-N 2.96Å; L593-Q595 PolarHBondContact O-N 3.46Å; Q595-L598 PolarHBondContact O-N 2.82Å; Q595-L599 WeakPolarHBondContact O-CB 3.23Å; Q595-L599 PolarHBondContact O-N 3.45Å; Q595-I807 HydrophobicContact CG-CD1 3.76Å; Q595-I807 HydrophobicContact CG-CG1 4.34Å; Q595-I807 HydrophobicContact CG-CG2 4.41Å
596	T	86.9	Confident	89.1	Confident	53 Å²	53	37 Å²	37	33%	0.325	19%	0.188	S	C	.	.	H	α-helix	trans	-66.4	-45.2	177.9	-52.6	0	0	0	0	111.1	K592 L593 V594 L598 L599 M600 F838	K592-T596 WeakPolarHBondContact O-CB 3.3Å; K592-T596 PolarHBondContact O-N 3.35Å; K592-T596 PolarHBondContact O-OG1 3.2Å; L593-T596 PolarHBondContact O-N 2.89Å; V594-T596 VanDerWaalsContact C-N 3.29Å; V594-T596 PolarHBondContact O-N 3.48Å; T596-L598 PolarHBondContact O-N 3.38Å; T596-L599 PolarHBondContact O-N 3.39Å; T596-M600 HydrophobicContact CG2-CG 4.45Å; T596-M600 WeakPolarHBondContact O-CB 3.42Å; T596-M600 VanDerWaalsContact O-CG 3.27Å; T596-M600 WeakPolarHBondContact O-CG 3.32Å; T596-M600 PolarHBondContact O-N 3.44Å; T596-F838 HydrophobicContact CG2-CD2 4.26Å; T596-F838 HydrophobicContact CG2-CE2 3.58Å; T596-F838 HydrophobicContact CG2-CZ 3.99Å
597	E	88.4	Confident	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-43	175.9	-77.6	-171.9	157.5	0	0	112.2	L593 V594 S601 I760 Y764 K814 S836 F838	L593-E597 VanDerWaalsContact CD2-CD 3.46Å; L593-E597 HydrophobicContact CD2-CG 3.93Å; L593-E597 WeakPolarHBondContact O-CG 3.44Å; L593-E597 PolarHBondContact O-N 3.04Å; V594-E597 PolarHBondContact O-N 2.98Å; E597-S601 VanDerWaalsContact O-CB 3.28Å; E597-S601 WeakPolarHBondContact O-CB 3.25Å; E597-S601 PolarHBondContact O-N 3.43Å; E597-S601 PolarHBondContact O-OG 3.3Å; E597-I760 HydrophobicContact CB-CD1 4.41Å; E597-I760 HydrophobicContact CB-CG2 4.13Å; E597-Y764 HydrophobicContact CB-CE2 4.25Å; E597-Y764 WeakPolarHBondContact OE2-CE2 3.25Å; E597-Y764 PolarHBondContact OE2-OH 3.19Å; E597-K814 VanDerWaalsContact CD-NZ 3.34Å; E597-K814 IonicContact OE1-NZ 2.59Å; E597-K814 PolarHBondContact OE1-NZ 3.18Å; E597-K814 IonicContact OE2-NZ 3.42Å; E597-K814 PolarHBondContact OE2-NZ 3.34Å; E597-S836 VanDerWaalsContact OE1-CB 3.25Å; E597-S836 WeakPolarHBondContact OE1-CB 3.18Å; E597-F838 HydrophobicContact CG-CD2 4.44Å
598	L	88	Confident	89.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-52.4	175.8	-81.1	170.1	0	0	0	111.4	V594 Q595 T596 M600 S601 L602 L761 Y764 L765 F792 L806 I807	V594-L598 HydrophobicContact CG1-CD1 4.01Å; V594-L598 WeakPolarHBondContact O-CB 3.31Å; V594-L598 WeakPolarHBondContact O-CG 3.41Å; V594-L598 PolarHBondContact O-N 2.96Å; Q595-L598 PolarHBondContact O-N 2.82Å; T596-L598 PolarHBondContact O-N 3.38Å; L598-M600 PolarHBondContact O-N 3.46Å; L598-S601 PolarHBondContact O-N 3.01Å; L598-L602 WeakPolarHBondContact O-CG 2.99Å; L598-L602 PolarHBondContact O-N 2.93Å; L598-L761 HydrophobicContact CD2-CD2 3.92Å; L598-Y764 HydrophobicContact CD1-CD2 4.34Å; L598-Y764 HydrophobicContact CD2-CD2 3.75Å; L598-Y764 HydrophobicContact CD2-CG 4.25Å; L598-Y764 HydrophobicContact CG-CD2 3.74Å; L598-Y764 HydrophobicContact CG-CG 4.5Å; L598-L765 HydrophobicContact CD2-CD2 4.34Å; L598-L765 HydrophobicContact CD2-CG 4.33Å; L598-F792 HydrophobicContact CB-CE1 4Å; L598-F792 HydrophobicContact CB-CZ 4.19Å; L598-F792 HydrophobicContact CD1-CE1 4.35Å; L598-F792 HydrophobicContact CD1-CZ 3.77Å; L598-F792 HydrophobicContact CG-CZ 4.47Å; L598-L806 HydrophobicContact CD1-CD2 4.23Å; L598-I807 HydrophobicContact CD1-CD1 3.71Å
599	L	88.3	Confident	89.2	Confident	43 Å²	43	36.8 Å²	36.8	23%	0.225	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-43.7	-177.1	-176.2	65.3	0	0	0	111.8	Q595 T596 S601 L602 Q603 P789 K793	Q595-L599 WeakPolarHBondContact O-CB 3.23Å; Q595-L599 PolarHBondContact O-N 3.45Å; T596-L599 PolarHBondContact O-N 3.39Å; L599-S601 VanDerWaalsContact C-N 3.34Å; L599-S601 PolarHBondContact O-N 3.34Å; L599-L602 PolarHBondContact O-N 3.24Å; L599-Q603 WeakPolarHBondContact O-CG 3.37Å; L599-Q603 PolarHBondContact O-N 3.39Å; L599-P789 HydrophobicContact CD1-CB 4.05Å; L599-K793 HydrophobicContact CD1-CG 4.26Å
600	M	86.4	Confident	89.2	Confident	66 Å²	66	37.8 Å²	37.8	33%	0.325	18%	0.183	S	C	.	.	H	α-helix	trans	-67.7	-35	178.6	-68.8	-60	-61.7	0	0	112.6	T596 L598 Q603 T604 I837 F838	T596-M600 HydrophobicContact CG2-CG 4.45Å; T596-M600 WeakPolarHBondContact O-CB 3.42Å; T596-M600 VanDerWaalsContact O-CG 3.27Å; T596-M600 WeakPolarHBondContact O-CG 3.32Å; T596-M600 PolarHBondContact O-N 3.44Å; L598-M600 PolarHBondContact O-N 3.46Å; M600-Q603 PolarHBondContact O-N 3.48Å; M600-Q603 PolarHBondContact SD-OE1 2.79Å; M600-T604 PolarHBondContact O-N 2.84Å; M600-T604 PolarHBondContact O-OG1 3.33Å; M600-I837 HydrophobicContact CB-CD1 4.17Å; M600-I837 HydrophobicContact CB-CG2 4.49Å; M600-F838 HydrophobicContact CG-CE2 4.03Å; M600-F838 HydrophobicContact CG-CZ 4.48Å
601	S	89.2	Confident	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-42.9	174.8	-58.9	0	0	0	0	110.9	E597 L598 L599 T604 L605 I760 I837	E597-S601 VanDerWaalsContact O-CB 3.28Å; E597-S601 WeakPolarHBondContact O-CB 3.25Å; E597-S601 PolarHBondContact O-N 3.43Å; E597-S601 PolarHBondContact O-OG 3.3Å; L598-S601 PolarHBondContact O-N 3.01Å; L599-S601 VanDerWaalsContact C-N 3.34Å; L599-S601 PolarHBondContact O-N 3.34Å; S601-T604 WeakPolarHBondContact O-CB 3.03Å; S601-T604 PolarHBondContact O-N 3.33Å; S601-L605 PolarHBondContact O-N 2.85Å; S601-I760 WeakPolarHBondContact OG-CB 3.39Å; S601-I760 VanDerWaalsContact OG-CG2 3.32Å; S601-I760 WeakPolarHBondContact OG-CG2 3.46Å; S601-I837 VanDerWaalsContact OG-CD1 3.28Å; S601-I837 WeakPolarHBondContact OG-CD1 3.3Å
602	L	89.1	Confident	89.1	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-43.4	173.4	-70.5	174.9	0	0	0	111.9	L598 L599 T604 L605 D606 L761 L787 P789 F792	L598-L602 WeakPolarHBondContact O-CG 2.99Å; L598-L602 PolarHBondContact O-N 2.93Å; L599-L602 PolarHBondContact O-N 3.24Å; L602-T604 PolarHBondContact O-N 3.29Å; L602-L605 CarbonylContact O-C 3.59Å; L602-L605 PolarHBondContact O-N 2.9Å; L602-D606 WeakPolarHBondContact O-CB 3.35Å; L602-D606 PolarHBondContact O-N 3.49Å; L602-L761 HydrophobicContact CD2-CD1 4.08Å; L602-L761 HydrophobicContact CD2-CD2 3.67Å; L602-L761 HydrophobicContact CG-CD2 3.78Å; L602-L787 HydrophobicContact CD2-CD2 3.78Å; L602-L787 HydrophobicContact CD2-CG 4Å; L602-P789 HydrophobicContact CB-CB 4.48Å; L602-P789 HydrophobicContact CB-CG 4.05Å; L602-F792 HydrophobicContact CD1-CB 3.42Å; L602-F792 VanDerWaalsContact CD1-CB 3.42Å; L602-F792 HydrophobicContact CD1-CD1 3.67Å; L602-F792 HydrophobicContact CD1-CD2 4.18Å; L602-F792 HydrophobicContact CD1-CG 3.48Å; L602-F792 VanDerWaalsContact CD1-CG 3.48Å
603	Q	90.3	Very high	89	Confident	69 Å²	69	36 Å²	36	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-62.2	-33.2	175.4	-74	176.3	-7	0	0	112.8	L599 M600 D606 K607 P789	L599-Q603 WeakPolarHBondContact O-CG 3.37Å; L599-Q603 PolarHBondContact O-N 3.39Å; M600-Q603 PolarHBondContact O-N 3.48Å; M600-Q603 PolarHBondContact SD-OE1 2.79Å; Q603-D606 PolarHBondContact O-N 3.12Å; Q603-K607 WeakPolarHBondContact O-CG 3.3Å; Q603-K607 PolarHBondContact O-N 3.27Å; Q603-K607 VanDerWaalsContact O-N 3.12Å; Q603-P789 HydrophobicContact CG-CB 4.4Å; Q603-P789 HydrophobicContact CG-CG 4.16Å
604	T	89.6	Confident	89	Confident	22 Å²	22	41.4 Å²	41.4	14%	0.135	20%	0.197	C	C	.	.	H	α-helix	trans	-68.3	-41.8	175.5	-60.7	0	0	0	0	110.9	M600 S601 L602 Y608 P749 R753 L754 A757	M600-T604 PolarHBondContact O-N 2.84Å; M600-T604 PolarHBondContact O-OG1 3.33Å; S601-T604 WeakPolarHBondContact O-CB 3.03Å; S601-T604 PolarHBondContact O-N 3.33Å; L602-T604 PolarHBondContact O-N 3.29Å; T604-Y608 PolarHBondContact O-N 2.59Å; T604-P749 HydrophobicContact CG2-CB 4.12Å; T604-P749 HydrophobicContact CG2-CG 4.42Å; T604-R753 HydrophobicContact CG2-CB 4.03Å; T604-L754 HydrophobicContact CG2-CD2 4.25Å; T604-A757 HydrophobicContact CG2-CB 3.96Å
605	L	87.4	Confident	88.9	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-71.5	-30.7	174.2	-68.9	-172.3	0	0	0	113	S601 L602 Y608 R609 L647 L754 A757 L761 F781	S601-L605 PolarHBondContact O-N 2.85Å; L602-L605 CarbonylContact O-C 3.59Å; L602-L605 PolarHBondContact O-N 2.9Å; L605-Y608 CarbonylContact O-C 3.45Å; L605-Y608 WeakPolarHBondContact O-CA 3.34Å; L605-Y608 VanDerWaalsContact O-CB 3.25Å; L605-Y608 WeakPolarHBondContact O-CB 3.22Å; L605-Y608 PolarHBondContact O-N 2.76Å; L605-R609 PolarHBondContact O-N 2.81Å; L605-L647 HydrophobicContact CD2-CD2 3.97Å; L605-L754 HydrophobicContact CD2-CD2 4.14Å; L605-A757 HydrophobicContact CG-CB 4.48Å; L605-L761 HydrophobicContact CD1-CD1 3.21Å; L605-L761 HydrophobicContact CG-CD1 3.95Å; L605-F781 HydrophobicContact CD1-CB 4Å; L605-F781 HydrophobicContact CD1-CD2 3.4Å; L605-F781 VanDerWaalsContact CD1-CD2 3.4Å; L605-F781 HydrophobicContact CD1-CE2 4.24Å; L605-F781 HydrophobicContact CD1-CG 4.07Å; L605-F781 VanDerWaalsContact CD1-O 3.27Å; L605-F781 WeakPolarHBondContact CD1-O 2.96Å
606	D	88.8	Confident	88.7	Confident	38 Å²	38	38.9 Å²	38.9	20%	0.203	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-44.6	174.1	-173.1	60.2	0	0	0	111.2	L602 Q603 Y608 R609 Q610 P789	L602-D606 WeakPolarHBondContact O-CB 3.35Å; L602-D606 PolarHBondContact O-N 3.49Å; Q603-D606 PolarHBondContact O-N 3.12Å; D606-Y608 PolarHBondContact O-N 3.16Å; D606-R609 WeakPolarHBondContact O-CB 3.42Å; D606-R609 PolarHBondContact O-N 3.15Å; D606-Q610 WeakPolarHBondContact O-CG 3.37Å; D606-Q610 PolarHBondContact O-N 2.92Å; D606-Q610 PolarHBondContact OD2-NE2 2.86Å; D606-P789 HydrophobicContact CB-CG 4.09Å
607	K	90.6	Very high	88.6	Confident	119 Å²	119	42 Å²	42	52%	0.517	20%	0.201	S	C	.	.	H	α-helix	trans	-59.4	-30.7	170.6	-71.4	176.4	-178.2	178.5	0	112.9	Q603 A611 P749	Q603-K607 WeakPolarHBondContact O-CG 3.3Å; Q603-K607 PolarHBondContact O-N 3.27Å; Q603-K607 VanDerWaalsContact O-N 3.12Å; K607-A611 WeakPolarHBondContact O-CB 3.49Å; K607-A611 PolarHBondContact O-N 3.03Å; K607-A611 VanDerWaalsContact O-N 3.11Å; K607-P749 HydrophobicContact CB-CG 3.73Å
608	Y	91.2	Very high	88.3	Confident	1 Å²	1	45 Å²	45	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-72.3	-41.1	173.8	-177.8	-123.2	0	0	0	112.1	T604 L605 D606 A611 F612 L643 F741 L754 L783	T604-Y608 PolarHBondContact O-N 2.59Å; L605-Y608 CarbonylContact O-C 3.45Å; L605-Y608 WeakPolarHBondContact O-CA 3.34Å; L605-Y608 VanDerWaalsContact O-CB 3.25Å; L605-Y608 WeakPolarHBondContact O-CB 3.22Å; L605-Y608 PolarHBondContact O-N 2.76Å; D606-Y608 PolarHBondContact O-N 3.16Å; Y608-A611 WeakPolarHBondContact O-CB 3.43Å; Y608-A611 PolarHBondContact O-N 3.28Å; Y608-F612 PolarHBondContact O-N 3.12Å; Y608-L643 WeakPolarHBondContact OH-CB 3.27Å; Y608-F741 AromaticContact CE2-CE2 4Å; Y608-F741 HydrophobicContact CE2-CE2 4Å; Y608-F741 HydrophobicContact CE2-CZ 4.15Å; Y608-L754 HydrophobicContact CD2-CD1 3.98Å; Y608-L754 HydrophobicContact CD2-CD2 4.23Å; Y608-L754 HydrophobicContact CE2-CD1 4.12Å; Y608-L754 HydrophobicContact CG-CD1 4.46Å; Y608-L754 HydrophobicContact CG-CD2 3.96Å; Y608-L783 HydrophobicContact CD1-CD1 4.45Å; Y608-L783 HydrophobicContact CD1-CD2 3.48Å; Y608-L783 VanDerWaalsContact CD1-CD2 3.48Å; Y608-L783 HydrophobicContact CD1-CG 3.95Å; Y608-L783 HydrophobicContact CE1-CD1 3.67Å; Y608-L783 HydrophobicContact CE1-CD2 3.56Å; Y608-L783 HydrophobicContact CE1-CG 3.52Å; Y608-L783 HydrophobicContact CG-CD2 4.26Å
609	R	89	Confident	87.9	Confident	20 Å²	20	45.7 Å²	45.7	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-42	172.3	-70.3	-178.1	-171.2	147.9	6.6	112.1	L605 D606 A611 F612 Q613 F781 G782 L783 L787	L605-R609 PolarHBondContact O-N 2.81Å; D606-R609 WeakPolarHBondContact O-CB 3.42Å; D606-R609 PolarHBondContact O-N 3.15Å; R609-A611 VanDerWaalsContact C-N 3.32Å; R609-A611 PolarHBondContact O-N 2.77Å; R609-F612 CarbonylContact O-C 3.56Å; R609-F612 WeakPolarHBondContact O-CB 3.38Å; R609-F612 PolarHBondContact O-N 3.21Å; R609-F612 VanDerWaalsContact O-N 3.14Å; R609-Q613 WeakPolarHBondContact O-CG 3.27Å; R609-Q613 PolarHBondContact O-N 3.46Å; R609-F781 PolarHBondContact NH2-O 2.91Å; R609-G782 PolarHBondContact NE-O 3.38Å; R609-G782 VanDerWaalsContact NE-O 3.11Å; R609-G782 PolarHBondContact NH2-O 2.88Å; R609-L783 HydrophobicContact CB-CD2 4.39Å; R609-L783 HydrophobicContact CG-CD2 3.83Å; R609-L787 VanDerWaalsContact CZ-O 3.31Å; R609-L787 VanDerWaalsContact NH1-C 3.34Å; R609-L787 PolarHBondContact NH1-O 2.94Å; R609-L787 PolarHBondContact NH2-O 2.77Å
610	Q	89.7	Confident	87.5	Confident	89 Å²	89	48.7 Å²	48.7	42%	0.416	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-40.2	174.1	-67.4	173.2	18.7	0	0	112	D606 F612 Q613 K614	D606-Q610 WeakPolarHBondContact O-CG 3.37Å; D606-Q610 PolarHBondContact O-N 2.92Å; D606-Q610 PolarHBondContact OD2-NE2 2.86Å; Q610-F612 VanDerWaalsContact C-N 3.34Å; Q610-Q613 PolarHBondContact O-N 3.17Å; Q610-K614 WeakPolarHBondContact O-CG 3.31Å; Q610-K614 PolarHBondContact O-N 3.34Å
611	A	90.4	Very high	87.2	Confident	2 Å²	2	53 Å²	53	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-40.5	173.2	0	0	0	0	0	111.5	K607 Y608 R609 K614 F615 F741 I746 C748	K607-A611 WeakPolarHBondContact O-CB 3.49Å; K607-A611 PolarHBondContact O-N 3.03Å; K607-A611 VanDerWaalsContact O-N 3.11Å; Y608-A611 WeakPolarHBondContact O-CB 3.43Å; Y608-A611 PolarHBondContact O-N 3.28Å; R609-A611 VanDerWaalsContact C-N 3.32Å; R609-A611 PolarHBondContact O-N 2.77Å; A611-K614 PolarHBondContact O-N 3.47Å; A611-F615 PolarHBondContact O-N 3.23Å; A611-F741 HydrophobicContact CB-CD1 4.34Å; A611-F741 HydrophobicContact CB-CE1 4.15Å; A611-I746 HydrophobicContact CB-CG2 3.66Å; A611-C748 HydrophobicContact CB-CB 4.16Å
612	F	89.9	Confident	86.5	Confident	25 Å²	25	54.7 Å²	54.7	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-44.9	175.3	178.3	-109.4	0	0	0	112.5	Y608 R609 Q610 K614 F615 T616 V639 A640 L643 L783	Y608-F612 PolarHBondContact O-N 3.12Å; R609-F612 CarbonylContact O-C 3.56Å; R609-F612 WeakPolarHBondContact O-CB 3.38Å; R609-F612 PolarHBondContact O-N 3.21Å; R609-F612 VanDerWaalsContact O-N 3.14Å; Q610-F612 VanDerWaalsContact C-N 3.34Å; F612-K614 VanDerWaalsContact C-N 3.3Å; F612-K614 PolarHBondContact O-N 2.88Å; F612-F615 HydrophobicContact CD2-CD1 4.19Å; F612-F615 HydrophobicContact CE2-CD1 4.4Å; F612-F615 CarbonylContact O-C 3.38Å; F612-F615 WeakPolarHBondContact O-CA 3.39Å; F612-F615 WeakPolarHBondContact O-CB 3.34Å; F612-F615 PolarHBondContact O-N 3.16Å; F612-T616 WeakPolarHBondContact CZ-OG1 3.48Å; F612-T616 PolarHBondContact O-N 3.43Å; F612-T616 PolarHBondContact O-OG1 2.77Å; F612-V639 HydrophobicContact CE2-CB 4.22Å; F612-V639 HydrophobicContact CE2-CG1 3.85Å; F612-A640 HydrophobicContact CE1-CB 4.01Å; F612-A640 HydrophobicContact CE2-CB 4.27Å; F612-A640 HydrophobicContact CZ-CB 3.61Å; F612-L643 HydrophobicContact CD2-CD1 3.61Å; F612-L643 HydrophobicContact CE2-CD1 3.94Å; F612-L783 HydrophobicContact CB-CD1 4.15Å; F612-L783 HydrophobicContact CB-CD2 3.68Å; F612-L783 HydrophobicContact CD1-CD1 4.35Å; F612-L783 HydrophobicContact CD1-CD2 4.27Å; F612-L783 HydrophobicContact CD2-CD1 3.81Å; F612-L783 HydrophobicContact CE2-CD1 4.32Å; F612-L783 HydrophobicContact CG-CD1 3.83Å; F612-L783 HydrophobicContact CG-CD2 4Å; F612-L783 HydrophobicContact CG-CG 4.43Å
613	Q	87.4	Confident	85.5	Confident	121 Å²	121	55.2 Å²	55.2	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-55.9	-44.1	175.4	-73.9	171.7	-12.1	0	0	111.8	R609 Q610 F615 T616 L617	R609-Q613 WeakPolarHBondContact O-CG 3.27Å; R609-Q613 PolarHBondContact O-N 3.46Å; Q610-Q613 PolarHBondContact O-N 3.17Å; Q613-F615 VanDerWaalsContact C-N 3.32Å; Q613-F615 PolarHBondContact O-N 3.34Å; Q613-T616 PolarHBondContact O-N 2.93Å; Q613-L617 WeakPolarHBondContact O-CG 3.35Å; Q613-L617 PolarHBondContact O-N 3.16Å
614	K	89.5	Confident	84.2	Confident	124 Å²	124	59.2 Å²	59.2	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-40.3	174.1	-69.9	179.3	-178.7	-176	0	112.2	Q610 A611 F612 L617 L618 I746	Q610-K614 WeakPolarHBondContact O-CG 3.31Å; Q610-K614 PolarHBondContact O-N 3.34Å; A611-K614 PolarHBondContact O-N 3.47Å; F612-K614 VanDerWaalsContact C-N 3.3Å; F612-K614 PolarHBondContact O-N 2.88Å; K614-L617 PolarHBondContact O-N 2.86Å; K614-L618 WeakPolarHBondContact O-CG 3.23Å; K614-L618 PolarHBondContact O-N 3.39Å; K614-L618 VanDerWaalsContact O-N 3.15Å; K614-I746 HydrophobicContact CB-CD1 4.13Å; K614-I746 HydrophobicContact CB-CG1 4.27Å; K614-I746 HydrophobicContact CB-CG2 4.34Å
615	F	87.9	Confident	82.9	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.009	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-44.7	176.8	175.8	-138.8	0	0	0	111.8	A611 F612 Q613 L617 L618 I619 V639 V717 F741 L744 I746	A611-F615 PolarHBondContact O-N 3.23Å; F612-F615 HydrophobicContact CD2-CD1 4.19Å; F612-F615 HydrophobicContact CE2-CD1 4.4Å; F612-F615 CarbonylContact O-C 3.38Å; F612-F615 WeakPolarHBondContact O-CA 3.39Å; F612-F615 WeakPolarHBondContact O-CB 3.34Å; F612-F615 PolarHBondContact O-N 3.16Å; Q613-F615 VanDerWaalsContact C-N 3.32Å; Q613-F615 PolarHBondContact O-N 3.34Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 2.88Å; F615-L618 WeakPolarHBondContact O-CB 3.22Å; F615-L618 PolarHBondContact O-N 3.2Å; F615-L618 VanDerWaalsContact O-N 3.12Å; F615-I619 HydrophobicContact CD1-CD1 4.3Å; F615-I619 HydrophobicContact CD2-CD1 4.25Å; F615-I619 HydrophobicContact CD2-CG1 4.25Å; F615-I619 HydrophobicContact CE1-CD1 4Å; F615-I619 HydrophobicContact CE2-CD1 3.9Å; F615-I619 HydrophobicContact CE2-CG1 3.93Å; F615-I619 HydrophobicContact CG-CD1 4.43Å; F615-I619 HydrophobicContact CZ-CD1 3.76Å; F615-I619 HydrophobicContact CZ-CG1 4.27Å; F615-I619 WeakPolarHBondContact O-CG1 3.3Å; F615-I619 PolarHBondContact O-N 3.43Å; F615-V639 HydrophobicContact CD1-CG1 4.1Å; F615-V639 HydrophobicContact CE1-CG1 3.39Å; F615-V639 HydrophobicContact CZ-CG1 4.24Å; F615-V717 HydrophobicContact CE2-CG2 3.72Å; F615-V717 HydrophobicContact CZ-CG2 3.39Å; F615-F741 HydrophobicContact CB-CE1 4.05Å; F615-F741 HydrophobicContact CD1-CE1 4.49Å; F615-F741 HydrophobicContact CG-CE1 4.45Å; F615-L744 HydrophobicContact CD2-CD1 3.49Å; F615-L744 VanDerWaalsContact CD2-CD1 3.49Å; F615-L744 HydrophobicContact CE2-CD1 3.59Å; F615-L744 HydrophobicContact CG-CD1 4.37Å; F615-I746 HydrophobicContact CB-CD1 3.66Å
616	T	84.7	Confident	81.5	Confident	18 Å²	18	66 Å²	66	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-41.1	175.3	-53.2	0	0	0	0	111.9	F612 Q613 L618 I619 Y620	F612-T616 WeakPolarHBondContact CZ-OG1 3.48Å; F612-T616 PolarHBondContact O-N 3.43Å; F612-T616 PolarHBondContact O-OG1 2.77Å; Q613-T616 PolarHBondContact O-N 2.93Å; T616-L618 VanDerWaalsContact C-N 3.32Å; T616-L618 PolarHBondContact O-N 2.83Å; T616-I619 PolarHBondContact O-N 2.96Å; T616-Y620 HydrophobicContact CG2-CD2 3.78Å; T616-Y620 HydrophobicContact CG2-CE2 3.33Å; T616-Y620 WeakPolarHBondContact O-CD2 3.39Å; T616-Y620 PolarHBondContact O-N 2.86Å
617	L	84.4	Confident	79.9	Confident	117 Å²	117	73 Å²	73	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-61.5	-38.4	174.2	-72.3	169.7	0	0	0	112.6	Q613 K614 F615 Y620 K621	Q613-L617 WeakPolarHBondContact O-CG 3.35Å; Q613-L617 PolarHBondContact O-N 3.16Å; K614-L617 PolarHBondContact O-N 2.86Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 2.88Å; L617-Y620 PolarHBondContact O-N 2.96Å; L617-K621 WeakPolarHBondContact O-CB 3.49Å; L617-K621 PolarHBondContact O-N 2.9Å
618	L	83	Confident	78.2	Confident	64 Å²	64	76.8 Å²	76.8	34%	0.335	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-41.9	174.5	-69.6	175.8	0	0	0	111.9	K614 F615 T616 K621 H622 L744 I746	K614-L618 WeakPolarHBondContact O-CG 3.23Å; K614-L618 PolarHBondContact O-N 3.39Å; K614-L618 VanDerWaalsContact O-N 3.15Å; F615-L618 WeakPolarHBondContact O-CB 3.22Å; F615-L618 PolarHBondContact O-N 3.2Å; F615-L618 VanDerWaalsContact O-N 3.12Å; T616-L618 VanDerWaalsContact C-N 3.32Å; T616-L618 PolarHBondContact O-N 2.83Å; L618-K621 PolarHBondContact O-N 3.23Å; L618-H622 WeakPolarHBondContact O-CB 3.38Å; L618-H622 PolarHBondContact O-N 3.38Å; L618-L744 HydrophobicContact CD1-CB 4.3Å; L618-L744 HydrophobicContact CD1-CD2 3.9Å; L618-I746 HydrophobicContact CD1-CD1 3.87Å; L618-I746 HydrophobicContact CD1-CG1 4.33Å
619	I	79.9	Confident	76.3	Confident	15 Å²	15	78.6 Å²	78.6	8%	0.077	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-49.2	174.9	-63	167	0	0	0	110	F615 T616 H622 S623 V639 I720	F615-I619 HydrophobicContact CD1-CD1 4.3Å; F615-I619 HydrophobicContact CD2-CD1 4.25Å; F615-I619 HydrophobicContact CD2-CG1 4.25Å; F615-I619 HydrophobicContact CE1-CD1 4Å; F615-I619 HydrophobicContact CE2-CD1 3.9Å; F615-I619 HydrophobicContact CE2-CG1 3.93Å; F615-I619 HydrophobicContact CG-CD1 4.43Å; F615-I619 HydrophobicContact CZ-CD1 3.76Å; F615-I619 HydrophobicContact CZ-CG1 4.27Å; F615-I619 WeakPolarHBondContact O-CG1 3.3Å; F615-I619 PolarHBondContact O-N 3.43Å; T616-I619 PolarHBondContact O-N 2.96Å; I619-H622 PolarHBondContact O-N 3.48Å; I619-S623 PolarHBondContact O-N 3.37Å; I619-V639 HydrophobicContact CD1-CG2 4.2Å; I619-I720 HydrophobicContact CB-CD1 4.18Å; I619-I720 HydrophobicContact CG1-CD1 3.62Å; I619-I720 HydrophobicContact CG2-CD1 4.31Å
620	Y	79.6	Confident	74.4	Confident	106 Å²	106	82.8 Å²	82.8	42%	0.416	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-45.8	179.6	-74.8	-53.6	0	0	0	112.5	T616 L617 H622 S623 M624	T616-Y620 HydrophobicContact CG2-CD2 3.78Å; T616-Y620 HydrophobicContact CG2-CE2 3.33Å; T616-Y620 WeakPolarHBondContact O-CD2 3.39Å; T616-Y620 PolarHBondContact O-N 2.86Å; L617-Y620 PolarHBondContact O-N 2.96Å; Y620-H622 VanDerWaalsContact C-N 3.28Å; Y620-H622 PolarHBondContact O-N 2.83Å; Y620-S623 WeakPolarHBondContact CA-OG 3.4Å; Y620-S623 PolarHBondContact O-N 3.34Å; Y620-S623 PolarHBondContact O-OG 2.82Å; Y620-M624 WeakPolarHBondContact O-CG 3.49Å; Y620-M624 PolarHBondContact O-N 3.28Å; Y620-M624 VanDerWaalsContact O-N 3.09Å
621	K	79.8	Confident	72.5	Confident	155 Å²	155	82.8 Å²	82.8	67%	0.674	40%	0.398	S	S	*	.	H	α-helix	trans	-58.2	-42.1	177.5	-172.1	178.4	-179.5	-178.4	0	111.7	L617 L618 T625	L617-K621 WeakPolarHBondContact O-CB 3.49Å; L617-K621 PolarHBondContact O-N 2.9Å; L618-K621 PolarHBondContact O-N 3.23Å; K621-T625 PolarHBondContact O-N 3.36Å; K621-T625 PolarHBondContact O-OG1 3.49Å
622	H	74.2	Confident	70.5	Confident	37 Å²	37	89.5 Å²	89.5	17%	0.171	43%	0.433	C	S	.	.	H	α-helix	trans	-71.2	-38	179.4	-164.5	77	0	0	0	112.6	L618 I619 Y620 M624 T625 N626 D719 I720	L618-H622 WeakPolarHBondContact O-CB 3.38Å; L618-H622 PolarHBondContact O-N 3.38Å; I619-H622 PolarHBondContact O-N 3.48Å; Y620-H622 VanDerWaalsContact C-N 3.28Å; Y620-H622 PolarHBondContact O-N 2.83Å; H622-M624 VanDerWaalsContact C-N 3.3Å; H622-M624 PolarHBondContact O-N 3.46Å; H622-T625 WeakPolarHBondContact CA-OG1 3.49Å; H622-T625 PolarHBondContact O-N 3.15Å; H622-T625 VanDerWaalsContact O-N 3.15Å; H622-T625 PolarHBondContact O-OG1 2.98Å; H622-N626 PolarHBondContact CE1-ND2 3.02Å; H622-N626 PolarHBondContact NE2-ND2 3.21Å; H622-N626 PolarHBondContact O-N 2.89Å; H622-D719 PolarHBondContact CE1-O 3.37Å; H622-D719 PolarHBondContact NE2-O 2.85Å; H622-D719 VanDerWaalsContact NE2-O 3.07Å; H622-I720 HydrophobicContact CB-CG1 4.32Å; H622-I720 HydrophobicContact CB-CG2 4.42Å
623	S	68.1	Low	68.6	Low	12 Å²	12	97.2 Å²	97.2	8%	0.084	47%	0.467	C	S	.	.	H	α-helix	trans	-62.8	-35.2	176.2	71.2	0	0	0	0	113.1	I619 Y620 T625	I619-S623 PolarHBondContact O-N 3.37Å; Y620-S623 WeakPolarHBondContact CA-OG 3.4Å; Y620-S623 PolarHBondContact O-N 3.34Å; Y620-S623 PolarHBondContact O-OG 2.82Å; S623-T625 VanDerWaalsContact C-N 3.33Å
624	M	63.2	Low	67	Low	153 Å²	153	92.8 Å²	92.8	75%	0.754	45%	0.448	S	S	*	.	H	α-helix	trans	-67.3	-34	174.6	-73.9	-92.2	179.4	0	0	112.1	Y620 H622	Y620-M624 WeakPolarHBondContact O-CG 3.49Å; Y620-M624 PolarHBondContact O-N 3.28Å; Y620-M624 VanDerWaalsContact O-N 3.09Å; H622-M624 VanDerWaalsContact C-N 3.3Å; H622-M624 PolarHBondContact O-N 3.46Å
625	T	62.3	Low	65.5	Low	95 Å²	95	88.9 Å²	88.9	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-85.6	-26	-179	51.3	0	0	0	0	113.9	K621 H622 S623	K621-T625 PolarHBondContact O-N 3.36Å; K621-T625 PolarHBondContact O-OG1 3.49Å; H622-T625 WeakPolarHBondContact CA-OG1 3.49Å; H622-T625 PolarHBondContact O-N 3.15Å; H622-T625 VanDerWaalsContact O-N 3.15Å; H622-T625 PolarHBondContact O-OG1 2.98Å; S623-T625 VanDerWaalsContact C-N 3.33Å
626	N	58.8	Low	64.1	Low	72 Å²	72	90.4 Å²	90.4	39%	0.385	45%	0.45	S	S	.	.			trans	-116.3	98.2	-177.1	-95	-25.9	0	0	0	110.5	H622 K628 Y629	H622-N626 PolarHBondContact CE1-ND2 3.02Å; H622-N626 PolarHBondContact NE2-ND2 3.21Å; H622-N626 PolarHBondContact O-N 2.89Å; N626-K628 PolarHBondContact O-N 2.82Å; N626-Y629 PolarHBondContact O-N 2.93Å
627	H	54.8	Low	63.2	Low	187 Å²	187	94.1 Å²	94.1	87%	0.866	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.4	175.6	-70.2	-54.5	0	0	0	114.4	Y629	H627-Y629 VanDerWaalsContact C-N 3.25Å; H627-Y629 PolarHBondContact O-N 3.47Å
628	K	54.9	Low	62.8	Low	198 Å²	198	91.5 Å²	91.5	86%	0.861	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.2	173.4	-155	177	-176.5	-177.1	0	112.5	N626 N630	N626-K628 PolarHBondContact O-N 2.82Å; K628-N630 PolarHBondContact O-N 2.81Å
629	Y	50.4	Low	62.7	Low	39 Å²	39	88.5 Å²	88.5	15%	0.153	44%	0.442	C	S	.	.	S	Bend	trans	-86.5	90.1	174.9	-103.3	-101.2	0	0	0	110.1	N626 H627 I631 V634 E715 I716 D719	N626-Y629 PolarHBondContact O-N 2.93Å; H627-Y629 VanDerWaalsContact C-N 3.25Å; H627-Y629 PolarHBondContact O-N 3.47Å; Y629-I631 PolarHBondContact O-N 3.28Å; Y629-I631 VanDerWaalsContact O-N 3.12Å; Y629-V634 HydrophobicContact CE1-CG2 4.26Å; Y629-E715 PolarHBondContact OH-O 3.38Å; Y629-I716 PolarHBondContact OH-O 2.99Å; Y629-D719 HydrophobicContact CE2-CB 3.69Å; Y629-D719 WeakPolarHBondContact CE2-OD2 3.5Å
630	N	50.1	Low	62.8	Low	107 Å²	107	87.9 Å²	87.9	57%	0.572	44%	0.44	S	S	*	.			trans	-68.9	110.4	169.7	-152.7	-16.1	0	0	0	108.3	K628 N632 K633	K628-N630 PolarHBondContact O-N 2.81Å; N630-N632 PolarHBondContact O-N 2.84Å; N630-K633 PolarHBondContact O-N 2.71Å
631	I	49.9	Very low	62.9	Low	89 Å²	89	86.8 Å²	86.8	46%	0.456	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-46.5	-29	-178.6	-67.5	167.5	0	0	0	111.7	Y629 K633 V634	Y629-I631 PolarHBondContact O-N 3.28Å; Y629-I631 VanDerWaalsContact O-N 3.12Å; I631-K633 VanDerWaalsContact C-N 3.29Å; I631-K633 PolarHBondContact O-N 2.94Å; I631-V634 PolarHBondContact O-N 3.22Å
632	N	48.7	Very low	63.1	Low	143 Å²	143	79.9 Å²	79.9	77%	0.765	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-65.8	-20.3	179.7	-66.4	-11.1	0	0	0	115.1	N630	N630-N632 PolarHBondContact O-N 2.84Å
633	K	49.1	Very low	63.7	Low	187 Å²	187	78.1 Å²	78.1	81%	0.813	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-86.5	-26.2	179.8	-87.7	-171	176	-177.2	0	114.3	N630 I631	N630-K633 PolarHBondContact O-N 2.71Å; I631-K633 VanDerWaalsContact C-N 3.29Å; I631-K633 PolarHBondContact O-N 2.94Å
634	V	53.5	Low	64.5	Low	28 Å²	28	77.6 Å²	77.6	17%	0.17	40%	0.397	C	S	.	.	S	Bend	trans	-122.1	82.1	-179.4	-173.1	0	0	0	0	108.5	Y629 I631 S636 V639 I716	Y629-V634 HydrophobicContact CE1-CG2 4.26Å; I631-V634 PolarHBondContact O-N 3.22Å; V634-S636 PolarHBondContact O-N 3.16Å; V634-V639 HydrophobicContact CG1-CG2 3.76Å; V634-I716 HydrophobicContact CG1-CD1 4.05Å; V634-I716 HydrophobicContact CG1-CG1 4.03Å; V634-I716 HydrophobicContact CG1-CG2 3.75Å; V634-I716 HydrophobicContact CG2-CG1 4.09Å
635	A	58.9	Low	65.4	Low	43 Å²	43	71.5 Å²	71.5	36%	0.355	37%	0.367	S	S	.	.			trans	-64	135.4	167.4	0	0	0	0	0	108.4	N637 T638 V639	A635-N637 HydrophobicContact CB-CB 4.37Å; A635-N637 PolarHBondContact O-N 2.85Å; A635-T638 WeakPolarHBondContact O-CB 3.45Å; A635-T638 PolarHBondContact O-N 3.01Å; A635-T638 PolarHBondContact O-OG1 3.11Å; A635-V639 PolarHBondContact O-N 3.26Å
636	S	58.5	Low	66.5	Low	34 Å²	34	67.3 Å²	67.3	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-47.7	-33.5	169.9	52.8	0	0	0	0	112	V634 V639 A640	V634-S636 PolarHBondContact O-N 3.16Å; S636-V639 PolarHBondContact O-N 3.32Å; S636-A640 PolarHBondContact O-N 2.91Å
637	N	66	Low	67.8	Low	96 Å²	96	63.9 Å²	63.9	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-40.3	176	-63.6	-9.1	0	0	0	112.4	A635 V639 A640 E641	A635-N637 HydrophobicContact CB-CB 4.37Å; A635-N637 PolarHBondContact O-N 2.85Å; N637-V639 VanDerWaalsContact C-N 3.33Å; N637-V639 PolarHBondContact O-N 2.87Å; N637-A640 PolarHBondContact O-N 3.38Å; N637-E641 WeakPolarHBondContact O-CB 3.39Å; N637-E641 PolarHBondContact O-N 3.34Å
638	T	74.4	Confident	68.9	Low	61 Å²	61	55 Å²	55	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-42.2	177.5	-46.4	0	0	0	0	111	A635 E641 L642	A635-T638 WeakPolarHBondContact O-CB 3.45Å; A635-T638 PolarHBondContact O-N 3.01Å; A635-T638 PolarHBondContact O-OG1 3.11Å; T638-E641 PolarHBondContact O-N 2.85Å; T638-L642 VanDerWaalsContact O-CG 3.29Å; T638-L642 WeakPolarHBondContact O-CG 3.42Å; T638-L642 PolarHBondContact O-N 3.34Å
639	V	81.3	Confident	70	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-44.6	178.6	-175.4	0	0	0	0	111.2	F612 F615 I619 V634 A635 S636 N637 E641 L642 L643 L713 I716	F612-V639 HydrophobicContact CE2-CB 4.22Å; F612-V639 HydrophobicContact CE2-CG1 3.85Å; F615-V639 HydrophobicContact CD1-CG1 4.1Å; F615-V639 HydrophobicContact CE1-CG1 3.39Å; F615-V639 HydrophobicContact CZ-CG1 4.24Å; I619-V639 HydrophobicContact CD1-CG2 4.2Å; V634-V639 HydrophobicContact CG1-CG2 3.76Å; A635-V639 PolarHBondContact O-N 3.26Å; S636-V639 PolarHBondContact O-N 3.32Å; N637-V639 VanDerWaalsContact C-N 3.33Å; N637-V639 PolarHBondContact O-N 2.87Å; V639-E641 VanDerWaalsContact C-N 3.29Å; V639-E641 PolarHBondContact O-N 3.4Å; V639-L642 PolarHBondContact O-N 3.27Å; V639-L643 HydrophobicContact CG1-CD1 4.15Å; V639-L643 WeakPolarHBondContact O-CB 3.28Å; V639-L643 WeakPolarHBondContact O-CG 3.44Å; V639-L643 PolarHBondContact O-N 3.35Å; V639-L713 HydrophobicContact CG1-CD2 4.32Å; V639-I716 HydrophobicContact CG2-CD1 3.96Å; V639-I716 HydrophobicContact CG2-CG2 4.15Å
640	A	82.9	Confident	71.4	Confident	3 Å²	3	44.8 Å²	44.8	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-42.9	176.4	0	0	0	0	0	111.3	F612 S636 N637 L643 D644 L783 M784	F612-A640 HydrophobicContact CE1-CB 4.01Å; F612-A640 HydrophobicContact CE2-CB 4.27Å; F612-A640 HydrophobicContact CZ-CB 3.61Å; S636-A640 PolarHBondContact O-N 2.91Å; N637-A640 PolarHBondContact O-N 3.38Å; A640-L643 PolarHBondContact O-N 2.86Å; A640-D644 WeakPolarHBondContact O-CB 3.46Å; A640-D644 PolarHBondContact O-N 2.94Å; A640-L783 HydrophobicContact CB-CB 4.17Å; A640-M784 HydrophobicContact CB-CG 4.03Å; A640-M784 HydrophobicContact CB-SD 3.48Å; A640-M784 WeakPolarHBondContact CB-SD 3.26Å
641	E	81.3	Confident	72.7	Confident	83 Å²	83	39.8 Å²	39.8	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-48.3	177.4	-169.4	-173.1	161.5	0	0	112	N637 T638 V639 L643 D644 Q645	N637-E641 WeakPolarHBondContact O-CB 3.39Å; N637-E641 PolarHBondContact O-N 3.34Å; T638-E641 PolarHBondContact O-N 2.85Å; V639-E641 VanDerWaalsContact C-N 3.29Å; V639-E641 PolarHBondContact O-N 3.4Å; E641-L643 VanDerWaalsContact C-N 3.27Å; E641-L643 PolarHBondContact O-N 3.33Å; E641-D644 PolarHBondContact O-N 3Å; E641-Q645 WeakPolarHBondContact O-CB 3.43Å; E641-Q645 VanDerWaalsContact O-CG 3.31Å; E641-Q645 WeakPolarHBondContact O-CG 3.49Å; E641-Q645 PolarHBondContact O-N 3.45Å; E641-Q645 PolarHBondContact OE1-NE2 2.78Å; E641-Q645 VanDerWaalsContact OE1-NE2 3.12Å
642	L	83.1	Confident	73.8	Confident	9 Å²	9	36 Å²	36	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-40.3	177.1	-70.4	169.8	0	0	0	112	T638 V639 W646 I709 D712 L713 I716	T638-L642 VanDerWaalsContact O-CG 3.29Å; T638-L642 WeakPolarHBondContact O-CG 3.42Å; T638-L642 PolarHBondContact O-N 3.34Å; V639-L642 PolarHBondContact O-N 3.27Å; L642-W646 WeakPolarHBondContact O-CB 3.46Å; L642-W646 PolarHBondContact O-N 3.4Å; L642-I709 HydrophobicContact CD2-CG1 4.39Å; L642-D712 HydrophobicContact CD1-CB 3.65Å; L642-D712 HydrophobicContact CD2-CB 4.03Å; L642-L713 HydrophobicContact CB-CD2 4.21Å; L642-L713 HydrophobicContact CB-CG 4.28Å; L642-L713 HydrophobicContact CD1-CD2 4.27Å; L642-L713 HydrophobicContact CD1-CG 4.31Å; L642-I716 HydrophobicContact CD1-CD1 4.09Å
643	L	88.1	Confident	75.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-71.6	-33.6	178.3	-76.5	-178.2	0	0	0	112.8	Y608 F612 V639 A640 E641 W646 L647 L713 V737 F741 L783	Y608-L643 WeakPolarHBondContact OH-CB 3.27Å; F612-L643 HydrophobicContact CD2-CD1 3.61Å; F612-L643 HydrophobicContact CE2-CD1 3.94Å; V639-L643 HydrophobicContact CG1-CD1 4.15Å; V639-L643 WeakPolarHBondContact O-CB 3.28Å; V639-L643 WeakPolarHBondContact O-CG 3.44Å; V639-L643 PolarHBondContact O-N 3.35Å; A640-L643 PolarHBondContact O-N 2.86Å; E641-L643 VanDerWaalsContact C-N 3.27Å; E641-L643 PolarHBondContact O-N 3.33Å; L643-W646 WeakPolarHBondContact O-CB 3.5Å; L643-W646 PolarHBondContact O-N 2.86Å; L643-L647 WeakPolarHBondContact O-CB 3.5Å; L643-L647 PolarHBondContact O-N 3.45Å; L643-L713 HydrophobicContact CD2-CD1 4.06Å; L643-L713 HydrophobicContact CD2-CD2 4.23Å; L643-L713 HydrophobicContact CG-CD2 4.33Å; L643-V737 HydrophobicContact CD2-CG1 3.55Å; L643-V737 HydrophobicContact CD2-CG2 4.47Å; L643-F741 HydrophobicContact CD1-CZ 4.21Å; L643-L783 HydrophobicContact CB-CD1 3.45Å; L643-L783 VanDerWaalsContact CB-CD1 3.45Å; L643-L783 HydrophobicContact CD1-CD1 3.69Å; L643-L783 HydrophobicContact CG-CD1 4.23Å
644	D	84	Confident	76.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72	-39.3	172.6	-83.4	-9.8	0	0	0	112.1	A640 E641 W646 L647 M648 P770 H780 G782 L783 M784	A640-D644 WeakPolarHBondContact O-CB 3.46Å; A640-D644 PolarHBondContact O-N 2.94Å; E641-D644 PolarHBondContact O-N 3Å; D644-W646 VanDerWaalsContact C-N 3.32Å; D644-W646 PolarHBondContact O-N 3.23Å; D644-L647 WeakPolarHBondContact O-CB 3.28Å; D644-L647 PolarHBondContact O-N 3.24Å; D644-M648 PolarHBondContact O-N 3.25Å; D644-P770 HydrophobicContact CB-CB 4.23Å; D644-H780 IonicContact OD2-CE1 3.84Å; D644-G782 WeakPolarHBondContact OD1-CA 3.34Å; D644-L783 VanDerWaalsContact CG-N 3.28Å; D644-L783 WeakPolarHBondContact OD1-CB 3.4Å; D644-L783 PolarHBondContact OD1-N 2.87Å; D644-L783 PolarHBondContact OD2-N 3.03Å; D644-M784 PolarHBondContact OD2-N 2.84Å
645	Q	81.9	Confident	77.1	Confident	26 Å²	26	22.6 Å²	22.6	12%	0.121	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-40.2	170.8	-71	176.8	5.3	0	0	111.1	E641 M648 L649 I709	E641-Q645 WeakPolarHBondContact O-CB 3.43Å; E641-Q645 VanDerWaalsContact O-CG 3.31Å; E641-Q645 WeakPolarHBondContact O-CG 3.49Å; E641-Q645 PolarHBondContact O-N 3.45Å; E641-Q645 PolarHBondContact OE1-NE2 2.78Å; E641-Q645 VanDerWaalsContact OE1-NE2 3.12Å; Q645-M648 WeakPolarHBondContact O-CB 3.15Å; Q645-M648 PolarHBondContact O-N 2.91Å; Q645-L649 WeakPolarHBondContact O-CB 3.48Å; Q645-L649 PolarHBondContact O-N 3.36Å; Q645-I709 HydrophobicContact CB-CD1 3.77Å; Q645-I709 HydrophobicContact CB-CG1 4.32Å
646	W	86.8	Confident	77.7	Confident	6 Å²	6	23 Å²	23	2%	0.023	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-44	173.6	176.5	75	0	0	0	112.1	L642 L643 D644 M648 L649 L650 I709 Y710 V737 I738 L754	L642-W646 WeakPolarHBondContact O-CB 3.46Å; L642-W646 PolarHBondContact O-N 3.4Å; L643-W646 WeakPolarHBondContact O-CB 3.5Å; L643-W646 PolarHBondContact O-N 2.86Å; D644-W646 VanDerWaalsContact C-N 3.32Å; D644-W646 PolarHBondContact O-N 3.23Å; W646-M648 VanDerWaalsContact C-N 3.28Å; W646-M648 PolarHBondContact O-N 3.33Å; W646-L649 WeakPolarHBondContact O-CB 3.15Å; W646-L649 PolarHBondContact O-N 3.45Å; W646-L650 HydrophobicContact CD2-CD1 3.97Å; W646-L650 HydrophobicContact CD2-CG 4.2Å; W646-L650 HydrophobicContact CE3-CD1 3.93Å; W646-L650 HydrophobicContact CH2-CD1 3.27Å; W646-L650 HydrophobicContact CH2-CG 4.34Å; W646-L650 HydrophobicContact CZ2-CD1 3.28Å; W646-L650 HydrophobicContact CZ2-CD2 4.18Å; W646-L650 HydrophobicContact CZ2-CG 3.9Å; W646-L650 HydrophobicContact CZ3-CD1 3.6Å; W646-L650 PolarHBondContact O-N 3.47Å; W646-I709 HydrophobicContact CB-CG2 4.01Å; W646-Y710 AromaticContact CD1-CE1 3.58Å; W646-Y710 AromaticContact NE1-CE1 3.75Å; W646-Y710 PolarHBondContact NE1-OH 2.91Å; W646-V737 HydrophobicContact CD2-CB 3.91Å; W646-V737 HydrophobicContact CD2-CG1 4.22Å; W646-V737 HydrophobicContact CD2-CG2 3.67Å; W646-V737 HydrophobicContact CE3-CB 4.23Å; W646-V737 HydrophobicContact CE3-CG1 4.08Å; W646-V737 HydrophobicContact CE3-CG2 4.35Å; W646-V737 HydrophobicContact CG-CB 4.49Å; W646-V737 HydrophobicContact CG-CG2 3.72Å; W646-V737 HydrophobicContact CH2-CB 3.95Å; W646-V737 HydrophobicContact CH2-CG1 4.15Å; W646-V737 HydrophobicContact CZ2-CB 3.62Å; W646-V737 HydrophobicContact CZ2-CG1 4.3Å; W646-V737 HydrophobicContact CZ2-CG2 4.12Å; W646-V737 HydrophobicContact CZ3-CB 4.25Å; W646-V737 HydrophobicContact CZ3-CG1 4.04Å; W646-I738 HydrophobicContact CH2-CD1 3.78Å; W646-I738 HydrophobicContact CH2-CG1 3.97Å; W646-I738 HydrophobicContact CZ2-CG1 4.42Å; W646-I738 HydrophobicContact CZ3-CD1 4.5Å; W646-L754 HydrophobicContact CH2-CD1 4.13Å; W646-L754 HydrophobicContact CZ3-CD1 3.89Å
647	L	84.9	Confident	78.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-38.3	177.7	-170.9	66.3	0	0	0	111.5	L605 L643 D644 L650 D651 L754 S758	L605-L647 HydrophobicContact CD2-CD2 3.97Å; L643-L647 WeakPolarHBondContact O-CB 3.5Å; L643-L647 PolarHBondContact O-N 3.45Å; D644-L647 WeakPolarHBondContact O-CB 3.28Å; D644-L647 PolarHBondContact O-N 3.24Å; L647-L650 WeakPolarHBondContact O-CB 3.49Å; L647-D651 PolarHBondContact O-N 2.99Å; L647-L754 HydrophobicContact CD1-CB 3.93Å; L647-S758 WeakPolarHBondContact CD1-OG 3.46Å; L647-S758 WeakPolarHBondContact CD2-OG 3.44Å; L647-S758 WeakPolarHBondContact CG-OG 3.3Å
648	M	77.8	Confident	78.2	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-45.3	172.1	-79.7	-164	123.2	0	0	113.3	D644 Q645 W646 L650 D651 Y652 F683 Y768 P770	D644-M648 PolarHBondContact O-N 3.25Å; Q645-M648 WeakPolarHBondContact O-CB 3.15Å; Q645-M648 PolarHBondContact O-N 2.91Å; W646-M648 VanDerWaalsContact C-N 3.28Å; W646-M648 PolarHBondContact O-N 3.33Å; M648-L650 PolarHBondContact O-N 3.39Å; M648-D651 PolarHBondContact O-N 3.31Å; M648-Y652 WeakPolarHBondContact O-CB 3.25Å; M648-Y652 PolarHBondContact O-N 3.32Å; M648-F683 HydrophobicContact CB-CD2 4.4Å; M648-F683 HydrophobicContact CE-CB 3.67Å; M648-F683 HydrophobicContact CE-CD2 3.66Å; M648-F683 HydrophobicContact CE-CG 4.04Å; M648-F683 HydrophobicContact SD-CB 4.28Å; M648-F683 HydrophobicContact SD-CD2 3.27Å; M648-F683 WeakPolarHBondContact SD-CD2 3.42Å; M648-F683 HydrophobicContact SD-CE2 3.81Å; M648-F683 HydrophobicContact SD-CG 3.99Å; M648-Y768 HydrophobicContact CE-CD1 3.94Å; M648-Y768 HydrophobicContact CE-CE1 4Å; M648-Y768 HydrophobicContact CG-CD1 4.31Å; M648-Y768 HydrophobicContact CG-CE1 3.5Å; M648-Y768 VanDerWaalsContact CG-CE1 3.5Å; M648-Y768 HydrophobicContact SD-CE1 4.32Å; M648-P770 HydrophobicContact CE-CG 4.13Å; M648-P770 HydrophobicContact CG-CG 4.16Å; M648-P770 WeakPolarHBondContact SD-CD 3.46Å; M648-P770 HydrophobicContact SD-CG 3.22Å; M648-P770 WeakPolarHBondContact SD-CG 3.28Å
649	L	79.2	Confident	77.9	Confident	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-60.3	-39.1	178.8	-178.3	68.1	0	0	0	110.9	Q645 W646 Y652 K653 E702 K706	Q645-L649 WeakPolarHBondContact O-CB 3.48Å; Q645-L649 PolarHBondContact O-N 3.36Å; W646-L649 WeakPolarHBondContact O-CB 3.15Å; W646-L649 PolarHBondContact O-N 3.45Å; L649-Y652 PolarHBondContact O-N 2.9Å; L649-K653 HydrophobicContact CG-CD 4.49Å; L649-K653 WeakPolarHBondContact O-CB 3.39Å; L649-K653 WeakPolarHBondContact O-CG 3.28Å; L649-K653 PolarHBondContact O-N 2.9Å; L649-E702 HydrophobicContact CD1-CG 3.66Å; L649-K706 HydrophobicContact CD2-CB 3.7Å; L649-K706 HydrophobicContact CD2-CG 3.97Å
650	L	79.3	Confident	77	Confident	18 Å²	18	22.9 Å²	22.9	9%	0.094	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-47.5	174.4	-85.1	-172.3	0	0	0	112.5	W646 L647 M648 W654 R755	W646-L650 HydrophobicContact CD2-CD1 3.97Å; W646-L650 HydrophobicContact CD2-CG 4.2Å; W646-L650 HydrophobicContact CE3-CD1 3.93Å; W646-L650 HydrophobicContact CH2-CD1 3.27Å; W646-L650 HydrophobicContact CH2-CG 4.34Å; W646-L650 HydrophobicContact CZ2-CD1 3.28Å; W646-L650 HydrophobicContact CZ2-CD2 4.18Å; W646-L650 HydrophobicContact CZ2-CG 3.9Å; W646-L650 HydrophobicContact CZ3-CD1 3.6Å; W646-L650 PolarHBondContact O-N 3.47Å; L647-L650 WeakPolarHBondContact O-CB 3.49Å; M648-L650 PolarHBondContact O-N 3.39Å; L650-W654 WeakPolarHBondContact O-CB 3.46Å; L650-W654 PolarHBondContact O-N 3.39Å; L650-W654 VanDerWaalsContact O-N 3.12Å; L650-R755 HydrophobicContact CB-CG 3.67Å; L650-R755 HydrophobicContact CD1-CG 4.11Å; L650-R755 HydrophobicContact CD2-CG 4.22Å; L650-R755 HydrophobicContact CG-CG 4.24Å
651	D	76.4	Confident	76.1	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-40.1	176	171.7	62.8	0	0	0	112.2	L647 M648 W654 R655 F759 R762	L647-D651 PolarHBondContact O-N 2.99Å; M648-D651 PolarHBondContact O-N 3.31Å; D651-W654 WeakPolarHBondContact O-CB 3.28Å; D651-W654 PolarHBondContact O-N 2.78Å; D651-R655 WeakPolarHBondContact O-CG 3.46Å; D651-R655 PolarHBondContact O-N 3.1Å; D651-R655 IonicContact OD1-NE 2.99Å; D651-R655 IonicContact OD2-CZ 3.73Å; D651-R655 IonicContact OD2-NE 3.36Å; D651-R655 PolarHBondContact OD2-NE 3.44Å; D651-R655 IonicContact OD2-NH2 2.76Å; D651-F759 WeakPolarHBondContact OD1-CA 3.48Å; D651-F759 WeakPolarHBondContact OD1-CB 3.2Å; D651-R762 WeakPolarHBondContact OD2-CD 3.41Å; D651-R762 IonicContact OD2-CZ 2.91Å; D651-R762 IonicContact OD2-NE 3.39Å; D651-R762 IonicContact OD2-NH1 3.94Å; D651-R762 PolarHBondContact OD2-NH1 3.37Å
652	Y	74.9	Confident	75	Confident	8 Å²	8	21 Å²	21	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-58.6	-52.8	175.5	176.6	-96.2	0	0	0	112	M648 L649 W654 R655 Q656 F683 V698	M648-Y652 WeakPolarHBondContact O-CB 3.25Å; M648-Y652 PolarHBondContact O-N 3.32Å; L649-Y652 PolarHBondContact O-N 2.9Å; Y652-W654 PolarHBondContact O-N 3.49Å; Y652-R655 PolarHBondContact O-N 3.24Å; Y652-Q656 HydrophobicContact CD1-CG 4.31Å; Y652-Q656 HydrophobicContact CE1-CG 3.82Å; Y652-Q656 HydrophobicContact CE2-CG 4.23Å; Y652-Q656 WeakPolarHBondContact O-CG 3.46Å; Y652-Q656 PolarHBondContact O-N 3.06Å; Y652-Q656 PolarHBondContact OH-NE2 3.2Å; Y652-Q656 VanDerWaalsContact OH-NE2 3.11Å; Y652-F683 HydrophobicContact CD2-CD1 4.33Å; Y652-F683 HydrophobicContact CG-CD1 4.47Å; Y652-V698 WeakPolarHBondContact OH-CG1 3.37Å
653	K	75.4	Confident	73.9	Confident	60 Å²	60	26.2 Å²	26.2	26%	0.261	13%	0.128	S	C	.	.	H	α-helix	trans	-59	-38.6	177.5	-73.9	179.9	-173.1	-117	0	111.9	L649 Q656 T657 E702	L649-K653 HydrophobicContact CG-CD 4.49Å; L649-K653 WeakPolarHBondContact O-CB 3.39Å; L649-K653 WeakPolarHBondContact O-CG 3.28Å; L649-K653 PolarHBondContact O-N 2.9Å; K653-Q656 PolarHBondContact O-N 2.89Å; K653-T657 PolarHBondContact O-N 3.07Å; K653-T657 PolarHBondContact O-OG1 2.89Å; K653-E702 WeakPolarHBondContact CE-OE1 3.45Å; K653-E702 IonicContact NZ-OE1 3.54Å; K653-E702 PolarHBondContact NZ-OE1 3.38Å
654	W	72.8	Confident	72.2	Confident	12 Å²	12	29.6 Å²	29.6	5%	0.045	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-52.3	176.3	-178.2	-117.5	0	0	0	111.5	L650 D651 Y652 Q656 T657 I658 M833 E834	L650-W654 WeakPolarHBondContact O-CB 3.46Å; L650-W654 PolarHBondContact O-N 3.39Å; L650-W654 VanDerWaalsContact O-N 3.12Å; D651-W654 WeakPolarHBondContact O-CB 3.28Å; D651-W654 PolarHBondContact O-N 2.78Å; Y652-W654 PolarHBondContact O-N 3.49Å; W654-Q656 VanDerWaalsContact C-N 3.31Å; W654-Q656 PolarHBondContact O-N 3.36Å; W654-T657 WeakPolarHBondContact O-CB 3.42Å; W654-T657 PolarHBondContact O-N 3.29Å; W654-I658 VanDerWaalsContact CD1-CD1 3.5Å; W654-I658 HydrophobicContact CD2-CD1 4.11Å; W654-I658 HydrophobicContact CD2-CG1 4.42Å; W654-I658 HydrophobicContact CG-CD1 4.06Å; W654-I658 HydrophobicContact CZ2-CD1 4.32Å; W654-I658 WeakPolarHBondContact O-CG1 3.2Å; W654-I658 PolarHBondContact O-N 2.84Å; W654-M833 HydrophobicContact CD2-SD 4.47Å; W654-M833 HydrophobicContact CE3-CG 4.23Å; W654-M833 HydrophobicContact CE3-SD 3.97Å; W654-M833 VanDerWaalsContact CH2-CA 3.41Å; W654-M833 HydrophobicContact CH2-CB 3.65Å; W654-M833 HydrophobicContact CH2-CG 3.47Å; W654-M833 VanDerWaalsContact CH2-CG 3.47Å; W654-M833 HydrophobicContact CH2-SD 4.12Å; W654-M833 HydrophobicContact CZ2-CB 4.07Å; W654-M833 HydrophobicContact CZ2-CG 4.19Å; W654-M833 HydrophobicContact CZ2-SD 4.47Å; W654-M833 HydrophobicContact CZ3-CB 4.17Å; W654-M833 HydrophobicContact CZ3-CG 3.45Å; W654-M833 VanDerWaalsContact CZ3-CG 3.45Å; W654-M833 HydrophobicContact CZ3-SD 3.81Å; W654-E834 WeakPolarHBondContact CZ2-O 3.4Å
655	R	72.2	Confident	70.7	Confident	5 Å²	5	32.7 Å²	32.7	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-41.5	177	-71.5	-179.3	-68.4	140.2	14.1	112.4	D651 Y652 T657 I658 R659 K680 F759 R762	D651-R655 WeakPolarHBondContact O-CG 3.46Å; D651-R655 PolarHBondContact O-N 3.1Å; D651-R655 IonicContact OD1-NE 2.99Å; D651-R655 IonicContact OD2-CZ 3.73Å; D651-R655 IonicContact OD2-NE 3.36Å; D651-R655 PolarHBondContact OD2-NE 3.44Å; D651-R655 IonicContact OD2-NH2 2.76Å; Y652-R655 PolarHBondContact O-N 3.24Å; R655-T657 VanDerWaalsContact C-N 3.34Å; R655-T657 PolarHBondContact O-N 2.88Å; R655-I658 PolarHBondContact O-N 3.45Å; R655-R659 WeakPolarHBondContact O-CB 3.39Å; R655-R659 VanDerWaalsContact O-CG 3.29Å; R655-R659 WeakPolarHBondContact O-CG 3.19Å; R655-R659 PolarHBondContact O-N 3.31Å; R655-K680 PolarHBondContact NH1-O 3.2Å; R655-F759 HydrophobicContact CG-CD2 4.03Å; R655-F759 HydrophobicContact CG-CE2 4.02Å; R655-R762 VanDerWaalsContact CZ-NH1 3.28Å
656	Q	71	Confident	68.8	Low	51 Å²	51	35.5 Å²	35.5	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-40.1	175.4	-64.4	-58.2	-15.3	0	0	112	Y652 K653 W654 R659 L660	Y652-Q656 HydrophobicContact CD1-CG 4.31Å; Y652-Q656 HydrophobicContact CE1-CG 3.82Å; Y652-Q656 HydrophobicContact CE2-CG 4.23Å; Y652-Q656 WeakPolarHBondContact O-CG 3.46Å; Y652-Q656 PolarHBondContact O-N 3.06Å; Y652-Q656 PolarHBondContact OH-NE2 3.2Å; Y652-Q656 VanDerWaalsContact OH-NE2 3.11Å; K653-Q656 PolarHBondContact O-N 2.89Å; W654-Q656 VanDerWaalsContact C-N 3.31Å; W654-Q656 PolarHBondContact O-N 3.36Å; Q656-R659 PolarHBondContact O-N 2.78Å; Q656-L660 WeakPolarHBondContact O-CB 3.25Å; Q656-L660 VanDerWaalsContact O-CG 3.24Å; Q656-L660 WeakPolarHBondContact O-CG 3.26Å; Q656-L660 PolarHBondContact O-N 3.5Å
657	T	69.5	Low	66.8	Low	65 Å²	65	42.4 Å²	42.4	40%	0.399	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-45.6	176.3	-48	0	0	0	0	110.6	K653 W654 R655 L660 T661 M833	K653-T657 PolarHBondContact O-N 3.07Å; K653-T657 PolarHBondContact O-OG1 2.89Å; W654-T657 WeakPolarHBondContact O-CB 3.42Å; W654-T657 PolarHBondContact O-N 3.29Å; R655-T657 VanDerWaalsContact C-N 3.34Å; R655-T657 PolarHBondContact O-N 2.88Å; T657-L660 PolarHBondContact O-N 2.04Å; T657-T661 PolarHBondContact O-N 3.45Å; T657-T661 PolarHBondContact O-OG1 3.31Å; T657-M833 HydrophobicContact CG2-CE 3.47Å; T657-M833 VanDerWaalsContact CG2-CE 3.47Å; T657-M833 HydrophobicContact CG2-SD 3.48Å; T657-M833 WeakPolarHBondContact CG2-SD 3.17Å
658	I	66.1	Low	65	Low	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-48.5	176.7	-65.5	173.9	0	0	0	111.2	W654 R655 L660 T661 Y662 F679 W821 M833 H835	W654-I658 VanDerWaalsContact CD1-CD1 3.5Å; W654-I658 HydrophobicContact CD2-CD1 4.11Å; W654-I658 HydrophobicContact CD2-CG1 4.42Å; W654-I658 HydrophobicContact CG-CD1 4.06Å; W654-I658 HydrophobicContact CZ2-CD1 4.32Å; W654-I658 WeakPolarHBondContact O-CG1 3.2Å; W654-I658 PolarHBondContact O-N 2.84Å; R655-I658 PolarHBondContact O-N 3.45Å; I658-L660 VanDerWaalsContact C-N 3.27Å; I658-L660 PolarHBondContact O-N 3.39Å; I658-T661 PolarHBondContact O-N 3.33Å; I658-Y662 HydrophobicContact CG2-CD2 3.5Å; I658-Y662 VanDerWaalsContact CG2-CD2 3.5Å; I658-Y662 HydrophobicContact CG2-CE2 3.11Å; I658-Y662 WeakPolarHBondContact O-CD2 3.4Å; I658-Y662 PolarHBondContact O-N 3.05Å; I658-F679 HydrophobicContact CB-CE1 4.36Å; I658-F679 HydrophobicContact CG2-CE1 3.88Å; I658-F679 HydrophobicContact CG2-CZ 3.75Å; I658-W821 HydrophobicContact CG2-CZ3 4.43Å; I658-M833 HydrophobicContact CG1-CE 4.41Å; I658-M833 HydrophobicContact CG1-SD 3.7Å; I658-H835 WeakPolarHBondContact CD1-CE1 3.48Å; I658-H835 WeakPolarHBondContact CD1-ND1 3.43Å
659	R	66.4	Low	63.4	Low	24 Å²	24	52.1 Å²	52.1	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-42.3	176.2	-76	176.6	178	-175.2	-1.5	111.5	R655 Q656 K663 F679	R655-R659 WeakPolarHBondContact O-CB 3.39Å; R655-R659 VanDerWaalsContact O-CG 3.29Å; R655-R659 WeakPolarHBondContact O-CG 3.19Å; R655-R659 PolarHBondContact O-N 3.31Å; Q656-R659 PolarHBondContact O-N 2.78Å; R659-K663 WeakPolarHBondContact O-CB 3.45Å; R659-K663 WeakPolarHBondContact O-CG 3.21Å; R659-K663 PolarHBondContact O-N 3.38Å; R659-F679 HydrophobicContact CG-CD1 3.75Å; R659-F679 HydrophobicContact CG-CE1 3.73Å; R659-F679 HydrophobicContact CG-CG 4.43Å; R659-F679 HydrophobicContact CG-CZ 4.41Å; R659-F679 PolarHBondContact NH2-O 3.41Å
660	L	62.9	Low	61.7	Low	101 Å²	101	57.7 Å²	57.7	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-42.7	178	-73.7	169.5	0	0	0	112.1	Q656 T657 I658 K663 A664	Q656-L660 WeakPolarHBondContact O-CB 3.25Å; Q656-L660 VanDerWaalsContact O-CG 3.24Å; Q656-L660 WeakPolarHBondContact O-CG 3.26Å; Q656-L660 PolarHBondContact O-N 3.5Å; T657-L660 PolarHBondContact O-N 2.04Å; I658-L660 VanDerWaalsContact C-N 3.27Å; I658-L660 PolarHBondContact O-N 3.39Å; L660-K663 PolarHBondContact O-N 3.47Å; L660-A664 WeakPolarHBondContact O-CB 3.36Å; L660-A664 PolarHBondContact O-N 3.46Å
661	T	63.4	Low	60.2	Low	41 Å²	41	65.3 Å²	65.3	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-43.9	176.7	-60.8	0	0	0	0	111.3	T657 I658 K663 A664 D665 L824 M833	T657-T661 PolarHBondContact O-N 3.45Å; T657-T661 PolarHBondContact O-OG1 3.31Å; I658-T661 PolarHBondContact O-N 3.33Å; T661-K663 PolarHBondContact O-N 2.92Å; T661-A664 PolarHBondContact O-N 2.94Å; T661-D665 PolarHBondContact O-N 3.3Å; T661-L824 HydrophobicContact CG2-CD2 3.8Å; T661-M833 HydrophobicContact CG2-CE 4.33Å; T661-M833 WeakPolarHBondContact OG1-CE 3.43Å
662	Y	58.9	Low	59	Low	5 Å²	5	66.5 Å²	66.5	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-68	-33.2	176.7	-65.6	-38.4	0	0	0	114.1	I658 A664 V672 F679 W821 P822 L824 H835	I658-Y662 HydrophobicContact CG2-CD2 3.5Å; I658-Y662 VanDerWaalsContact CG2-CD2 3.5Å; I658-Y662 HydrophobicContact CG2-CE2 3.11Å; I658-Y662 WeakPolarHBondContact O-CD2 3.4Å; I658-Y662 PolarHBondContact O-N 3.05Å; Y662-A664 VanDerWaalsContact C-N 3.34Å; Y662-V672 HydrophobicContact CD2-CB 4.47Å; Y662-V672 HydrophobicContact CD2-CG1 4.48Å; Y662-V672 HydrophobicContact CD2-CG2 3.73Å; Y662-V672 HydrophobicContact CG-CG2 3.81Å; Y662-F679 HydrophobicContact CD2-CZ 4.1Å; Y662-F679 HydrophobicContact CE2-CZ 4.01Å; Y662-W821 HydrophobicContact CE2-CD2 4.06Å; Y662-W821 HydrophobicContact CE2-CE3 4.07Å; Y662-W821 HydrophobicContact CE2-CG 4.39Å; Y662-W821 HydrophobicContact CE2-CZ3 4.41Å; Y662-W821 WeakPolarHBondContact OH-CB 3.48Å; Y662-P822 HydrophobicContact CD1-CG 3.47Å; Y662-P822 VanDerWaalsContact CD1-CG 3.47Å; Y662-P822 HydrophobicContact CE1-CB 4.41Å; Y662-P822 HydrophobicContact CE1-CG 3.34Å; Y662-L824 HydrophobicContact CE1-CD2 3.97Å; Y662-H835 AromaticContact CZ-NE2 3.81Å; Y662-H835 PolarHBondContact OH-NE2 3.21Å
663	K	59.6	Low	57.9	Low	119 Å²	119	71.1 Å²	71.1	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-69.1	-32.3	172.1	-76.6	-175.6	-179.9	-173.4	0	112.7	R659 L660 T661	R659-K663 WeakPolarHBondContact O-CB 3.45Å; R659-K663 WeakPolarHBondContact O-CG 3.21Å; R659-K663 PolarHBondContact O-N 3.38Å; L660-K663 PolarHBondContact O-N 3.47Å; T661-K663 PolarHBondContact O-N 2.92Å
664	A	52.6	Low	56.9	Low	72 Å²	72	71.6 Å²	71.6	60%	0.595	39%	0.388	S	S	*	.	H	α-helix	trans	-76.8	-33.1	179.9	0	0	0	0	0	112.5	L660 T661 Y662 S666	L660-A664 WeakPolarHBondContact O-CB 3.36Å; L660-A664 PolarHBondContact O-N 3.46Å; T661-A664 PolarHBondContact O-N 2.94Å; Y662-A664 VanDerWaalsContact C-N 3.34Å; A664-S666 PolarHBondContact O-N 3.34Å
665	D	51.8	Low	56	Low	65 Å²	65	72.2 Å²	72.2	35%	0.348	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	30.4	176.2	-71.9	-17.1	0	0	0	113.1	T661 V667 S668	T661-D665 PolarHBondContact O-N 3.3Å; D665-V667 PolarHBondContact O-N 3.49Å; D665-S668 PolarHBondContact O-N 3.03Å; D665-S668 PolarHBondContact O-OG 3.14Å; D665-S668 VanDerWaalsContact O-OG 3.09Å
666	S	42.8	Very low	55.5	Low	84 Å²	84	72.7 Å²	72.7	59%	0.587	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-3.4	-175.8	60.6	0	0	0	0	115.5	A664 S668	A664-S666 PolarHBondContact O-N 3.34Å; S666-S668 CarbonylContact C-O 3.37Å; S666-S668 PolarHBondContact O-N 3.49Å
667	V	45.8	Very low	55	Low	151 Å²	151	70.6 Å²	70.6	92%	0.915	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	164.1	-176.3	0	0	0	0	110.7	D665	D665-V667 PolarHBondContact O-N 3.49Å
668	S	46.7	Very low	54.7	Low	41 Å²	41	67.9 Å²	67.9	29%	0.287	37%	0.371	S	S	.	.	S	Bend	trans	-94.2	126	165.7	73.9	0	0	0	0	109.1	D665 S666 Y670	D665-S668 PolarHBondContact O-N 3.03Å; D665-S668 PolarHBondContact O-OG 3.14Å; D665-S668 VanDerWaalsContact O-OG 3.09Å; S666-S668 CarbonylContact C-O 3.37Å; S666-S668 PolarHBondContact O-N 3.49Å; S668-Y670 PolarHBondContact O-N 3.24Å
669	N	43.5	Very low	54.4	Low	165 Å²	165	67.8 Å²	67.8	88%	0.882	37%	0.371	S	S	*	.			trans	-59.8	16.7	178.9	-79.5	-22.8	0	0	0	115	Q671	N669-Q671 PolarHBondContact O-N 3.43Å; N669-Q671 VanDerWaalsContact O-N 3.16Å
670	Y	44.7	Very low	53.9	Low	120 Å²	120	72.4 Å²	72.4	47%	0.471	39%	0.392	S	S	.	.			trans	-84.8	86.5	178.4	-66.5	-76	0	0	0	109.8	S668 V672 F820	S668-Y670 PolarHBondContact O-N 3.24Å; Y670-V672 VanDerWaalsContact C-N 3.34Å; Y670-V672 PolarHBondContact O-N 2.74Å; Y670-F820 HydrophobicContact CE1-CD1 4.25Å
671	Q	47.3	Very low	53.4	Low	179 Å²	179	68.4 Å²	68.4	84%	0.836	37%	0.372	S	S	*	.			trans	-66.4	103.3	154.1	-72.1	-175.3	-0.3	0	0	106.6	N669 D673	N669-Q671 PolarHBondContact O-N 3.43Å; N669-Q671 VanDerWaalsContact O-N 3.16Å; Q671-D673 PolarHBondContact O-N 3.14Å
672	V	50.7	Low	52.6	Low	28 Å²	28	68.6 Å²	68.6	17%	0.17	38%	0.375	C	S	.	.			trans	-63.8	95.2	165.6	173.4	0	0	0	0	106.3	Y662 Y670 F679	Y662-V672 HydrophobicContact CD2-CB 4.47Å; Y662-V672 HydrophobicContact CD2-CG1 4.48Å; Y662-V672 HydrophobicContact CD2-CG2 3.73Å; Y662-V672 HydrophobicContact CG-CG2 3.81Å; Y670-V672 VanDerWaalsContact C-N 3.34Å; Y670-V672 PolarHBondContact O-N 2.74Å; V672-F679 HydrophobicContact CG1-CD2 3.54Å; V672-F679 HydrophobicContact CG1-CE2 3.13Å; V672-F679 HydrophobicContact CG1-CZ 3.92Å
673	D	52.9	Low	52.2	Low	105 Å²	105	68.8 Å²	68.8	56%	0.561	38%	0.376	S	S	*	.			trans	-64.7	142.6	-177.9	-136.5	-17.2	0	0	0	108.8	Q671 C675 S676	Q671-D673 PolarHBondContact O-N 3.14Å; D673-C675 HydrophobicContact CB-CB 4.4Å; D673-C675 PolarHBondContact O-N 2.82Å; D673-S676 PolarHBondContact O-N 3.21Å
674	N	52.9	Low	51.6	Low	70 Å²	70	67.5 Å²	67.5	37%	0.374	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.3	177.7	-77.5	-12.7	0	0	0	112.1
675	C	54.4	Low	51.4	Low	24 Å²	24	65 Å²	65	16%	0.162	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.1	-178.7	-59.2	0	0	0	0	115.7	D673 L677 S872 C876	D673-C675 HydrophobicContact CB-CB 4.4Å; D673-C675 PolarHBondContact O-N 2.82Å; C675-L677 PolarHBondContact O-N 3.09Å; C675-S872 PolarHBondContact O-OG 3.28Å; C675-C876 WeakPolarHBondContact CA-SG 3.5Å; C675-C876 HydrophobicContact CB-CB 3.4Å; C675-C876 WeakPolarHBondContact CB-SG 3.44Å; C675-C876 WeakPolarHBondContact SG-CA 3.42Å; C675-C876 WeakPolarHBondContact SG-CB 3.41Å; C675-C876 CovalentContact SG-SG 2.03Å; C675-C876 PolarHBondContact SG-SG 3.34Å
676	S	61.4	Low	51.1	Low	15 Å²	15	67 Å²	67	11%	0.105	36%	0.359	C	S	.	.			trans	-62.5	131.5	168.9	148.5	0	0	0	0	110	D673 S678 F679 E816	D673-S676 PolarHBondContact O-N 3.21Å; S676-S678 PolarHBondContact O-N 3.28Å; S676-S678 WeakPolarHBondContact OG-CB 3.39Å; S676-S678 PolarHBondContact OG-N 2.89Å; S676-F679 PolarHBondContact O-N 2.85Å; S676-F679 WeakPolarHBondContact OG-CD2 3.26Å; S676-E816 WeakPolarHBondContact CB-OE1 3.49Å; S676-E816 PolarHBondContact OG-OE1 3.16Å
677	L	60.5	Low	51.1	Low	8 Å²	8	67.2 Å²	67.2	4%	0.042	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-52.3	-31.2	178.8	-75.7	170.9	0	0	0	111.9	C675 F679 M813 E816 R868 D871	C675-L677 PolarHBondContact O-N 3.09Å; L677-F679 VanDerWaalsContact C-N 3.32Å; L677-F679 PolarHBondContact O-N 2.92Å; L677-M813 HydrophobicContact CB-CE 3.97Å; L677-M813 HydrophobicContact CB-CG 4.29Å; L677-M813 HydrophobicContact CD1-CG 4.4Å; L677-E816 WeakPolarHBondContact CB-OE2 3.45Å; L677-R868 HydrophobicContact CD1-CB 4.37Å; L677-R868 HydrophobicContact CD2-CB 4.44Å; L677-R868 HydrophobicContact CG-CB 4.24Å; L677-D871 HydrophobicContact CD2-CB 3.53Å
678	S	63.3	Low	50.9	Low	7 Å²	7	60.3 Å²	60.3	5%	0.049	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-73.2	-19.2	-177.3	-51.1	0	0	0	0	114	S676 R763 E816	S676-S678 PolarHBondContact O-N 3.28Å; S676-S678 WeakPolarHBondContact OG-CB 3.39Å; S676-S678 PolarHBondContact OG-N 2.89Å; S678-R763 PolarHBondContact OG-NE 3.28Å; S678-R763 PolarHBondContact OG-NH2 2.98Å; S678-E816 PolarHBondContact OG-OE1 3.26Å
679	F	59	Low	50.7	Low	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-108.4	6.3	-176.2	-70.4	-71.5	0	0	0	114.8	I658 R659 Y662 V672 S676 L677 S681 W821	I658-F679 HydrophobicContact CB-CE1 4.36Å; I658-F679 HydrophobicContact CG2-CE1 3.88Å; I658-F679 HydrophobicContact CG2-CZ 3.75Å; R659-F679 HydrophobicContact CG-CD1 3.75Å; R659-F679 HydrophobicContact CG-CE1 3.73Å; R659-F679 HydrophobicContact CG-CG 4.43Å; R659-F679 HydrophobicContact CG-CZ 4.41Å; R659-F679 PolarHBondContact NH2-O 3.41Å; Y662-F679 HydrophobicContact CD2-CZ 4.1Å; Y662-F679 HydrophobicContact CE2-CZ 4.01Å; V672-F679 HydrophobicContact CG1-CD2 3.54Å; V672-F679 HydrophobicContact CG1-CE2 3.13Å; V672-F679 HydrophobicContact CG1-CZ 3.92Å; S676-F679 PolarHBondContact O-N 2.85Å; S676-F679 WeakPolarHBondContact OG-CD2 3.26Å; L677-F679 VanDerWaalsContact C-N 3.32Å; L677-F679 PolarHBondContact O-N 2.92Å; F679-S681 PolarHBondContact O-N 2.67Å; F679-W821 HydrophobicContact CD2-CZ2 4.1Å; F679-W821 HydrophobicContact CE1-CH2 4.13Å; F679-W821 HydrophobicContact CE1-CZ2 4.29Å; F679-W821 AromaticContact CE2-CE2 3.92Å; F679-W821 AromaticContact CE2-CH2 3.91Å; F679-W821 HydrophobicContact CE2-CH2 3.91Å; F679-W821 AromaticContact CE2-CZ2 3.25Å; F679-W821 HydrophobicContact CE2-CZ2 3.25Å; F679-W821 AromaticContact CZ-CH2 3.53Å; F679-W821 HydrophobicContact CZ-CH2 3.53Å; F679-W821 AromaticContact CZ-CZ2 3.38Å; F679-W821 HydrophobicContact CZ-CZ2 3.38Å; F679-W821 HydrophobicContact CZ-CZ3 4.46Å
680	K	57.5	Low	50.8	Low	120 Å²	120	54 Å²	54	52%	0.522	29%	0.287	S	S	.	.			trans	-55	128.1	175.7	-170.8	174.2	178.3	176.4	0	111	R655 D871	R655-K680 PolarHBondContact NH1-O 3.2Å; K680-D871 WeakPolarHBondContact CE-O 3.23Å; K680-D871 PolarHBondContact NZ-O 2.85Å
681	S	50.7	Low	50.8	Low	18 Å²	18	53.3 Å²	53.3	13%	0.126	29%	0.292	C	S	.	.			trans	-86.7	113.1	171.3	49.3	0	0	0	0	111.1	F679 F683 N690	F679-S681 PolarHBondContact O-N 2.67Å; S681-F683 VanDerWaalsContact C-N 3.28Å; S681-N690 WeakPolarHBondContact CB-ND2 3.48Å; S681-N690 WeakPolarHBondContact OG-CB 3.45Å; S681-N690 PolarHBondContact OG-ND2 3.43Å
682	S	46.9	Very low	50.7	Low	45 Å²	45	46.7 Å²	46.7	32%	0.315	27%	0.265	S	S	.	.	S	Bend	trans	-79.9	-7.7	152.1	66.1	0	0	0	0	114.3	R762 Y768	S682-R762 VanDerWaalsContact C-NH2 3.32Å; S682-R762 VanDerWaalsContact CA-NH2 3.34Å; S682-R762 PolarHBondContact OG-NE 2.87Å; S682-R762 PolarHBondContact OG-NH2 3.49Å; S682-Y768 WeakPolarHBondContact CB-O 3.49Å; S682-Y768 PolarHBondContact OG-O 3.05Å
683	F	50.9	Low	50.6	Low	8 Å²	8	53.1 Å²	53.1	4%	0.035	30%	0.298	C	S	.	.			trans	-116.9	78.9	177.1	-172.2	-110.4	0	0	0	103.6	M648 Y652 S681 I685 L705	M648-F683 HydrophobicContact CB-CD2 4.4Å; M648-F683 HydrophobicContact CE-CB 3.67Å; M648-F683 HydrophobicContact CE-CD2 3.66Å; M648-F683 HydrophobicContact CE-CG 4.04Å; M648-F683 HydrophobicContact SD-CB 4.28Å; M648-F683 HydrophobicContact SD-CD2 3.27Å; M648-F683 WeakPolarHBondContact SD-CD2 3.42Å; M648-F683 HydrophobicContact SD-CE2 3.81Å; M648-F683 HydrophobicContact SD-CG 3.99Å; Y652-F683 HydrophobicContact CD2-CD1 4.33Å; Y652-F683 HydrophobicContact CG-CD1 4.47Å; S681-F683 VanDerWaalsContact C-N 3.28Å; F683-I685 HydrophobicContact CD1-CG1 4.13Å; F683-I685 HydrophobicContact CE1-CD1 4.48Å; F683-I685 HydrophobicContact CE1-CG1 3.55Å; F683-I685 HydrophobicContact CZ-CG1 4.22Å; F683-L705 HydrophobicContact CE1-CD2 4.23Å; F683-L705 HydrophobicContact CZ-CD2 3.61Å
684	E	48.2	Very low	50.5	Low	93 Å²	93	52 Å²	52	44%	0.435	29%	0.292	S	S	.	.			trans	-65.8	123.5	151.9	-68.5	175.9	-171.2	0	0	103.1	N686	E684-N686 PolarHBondContact O-N 3.26Å; E684-N686 PolarHBondContact O-OD1 3.3Å
685	I	47.1	Very low	51	Low	20 Å²	20	57.2 Å²	57.2	10%	0.103	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-60.2	97.2	153.1	-63.7	172.7	0	0	0	101.1	F683 T687 V688 Y701	F683-I685 HydrophobicContact CD1-CG1 4.13Å; F683-I685 HydrophobicContact CE1-CD1 4.48Å; F683-I685 HydrophobicContact CE1-CG1 3.55Å; F683-I685 HydrophobicContact CZ-CG1 4.22Å; I685-T687 WeakPolarHBondContact CG2-OG1 3.44Å; I685-T687 PolarHBondContact O-N 3.22Å; I685-V688 CarbonylContact O-C 3.57Å; I685-V688 PolarHBondContact O-N 3.38Å; I685-V688 VanDerWaalsContact O-O 3.11Å; I685-Y701 HydrophobicContact CG2-CG 4.14Å
686	N	45.1	Very low	51.3	Low	106 Å²	106	62.7 Å²	62.7	57%	0.567	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-15.6	-160.7	-73	-25.6	0	0	0	114.2	E684 E771	E684-N686 PolarHBondContact O-N 3.26Å; E684-N686 PolarHBondContact O-OD1 3.3Å; N686-E771 PolarHBondContact ND2-OE2 3.36Å
687	T	44.6	Very low	51.3	Low	88 Å²	88	65 Å²	65	54%	0.54	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.5	175.9	53.1	0	0	0	0	114.2	I685 Y701	I685-T687 WeakPolarHBondContact CG2-OG1 3.44Å; I685-T687 PolarHBondContact O-N 3.22Å; T687-Y701 HydrophobicContact CG2-CE1 4.29Å; T687-Y701 WeakPolarHBondContact OG1-CE1 3.45Å
688	V	40.4	Very low	51.5	Low	7 Å²	7	65.8 Å²	65.8	4%	0.042	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-137.1	89.8	-174.4	-169.5	0	0	0	0	107.1	I685 N690 S692 L697 V698 Y701	I685-V688 CarbonylContact O-C 3.57Å; I685-V688 PolarHBondContact O-N 3.38Å; I685-V688 VanDerWaalsContact O-O 3.11Å; V688-N690 PolarHBondContact O-N 3.09Å; V688-S692 WeakPolarHBondContact CG1-OG 3.37Å; V688-L697 HydrophobicContact CG1-CD2 4.12Å; V688-L697 HydrophobicContact CG2-CD2 3.6Å; V688-L697 HydrophobicContact CG2-CG 3.77Å; V688-V698 HydrophobicContact CB-CG2 4.42Å; V688-V698 HydrophobicContact CG1-CG2 3.53Å; V688-Y701 HydrophobicContact CG2-CD2 3.28Å; V688-Y701 HydrophobicContact CG2-CE2 3.26Å; V688-Y701 HydrophobicContact CG2-CG 4.34Å
689	G	42.9	Very low	51.8	Low	37 Å²	37	72.3 Å²	72.3	38%	0.381	38%	0.377	S	S	.	.			trans	-44.4	143.8	175.3	0	0	0	0	0	110.4	D691 S692	G689-D691 PolarHBondContact O-N 3.3Å; G689-S692 WeakPolarHBondContact O-CB 3.34Å; G689-S692 PolarHBondContact O-N 2.96Å
690	N	44.6	Very low	52.4	Low	37 Å²	37	77.6 Å²	77.6	20%	0.198	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.5	-174.3	-135	35	0	0	0	113.7	S681 V688	S681-N690 WeakPolarHBondContact CB-ND2 3.48Å; S681-N690 WeakPolarHBondContact OG-CB 3.45Å; S681-N690 PolarHBondContact OG-ND2 3.43Å; V688-N690 PolarHBondContact O-N 3.09Å
691	D	44.6	Very low	53	Low	105 Å²	105	75.3 Å²	75.3	56%	0.561	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	4.5	176.8	-65.2	-23.1	0	0	0	114	G689 D693	G689-D691 PolarHBondContact O-N 3.3Å; D691-D693 PolarHBondContact O-N 3.38Å; D691-D693 VanDerWaalsContact O-N 3.1Å
692	S	45.7	Very low	54.2	Low	40 Å²	40	76 Å²	76	28%	0.28	39%	0.389	S	S	.	.			trans	-67.4	116.6	173	100.9	0	0	0	0	108.2	V688 G689 D694	V688-S692 WeakPolarHBondContact CG1-OG 3.37Å; G689-S692 WeakPolarHBondContact O-CB 3.34Å; G689-S692 PolarHBondContact O-N 2.96Å; S692-D694 PolarHBondContact O-N 3.45Å; S692-D694 VanDerWaalsContact O-N 3.09Å
693	D	48.3	Very low	55.6	Low	162 Å²	162	77.2 Å²	77.2	87%	0.866	40%	0.395	S	S	*	.			trans	-63	-12.1	172	-74	-41.4	0	0	0	112.6	D691 R695	D691-D693 PolarHBondContact O-N 3.38Å; D691-D693 VanDerWaalsContact O-N 3.1Å; D693-R695 VanDerWaalsContact C-N 3.33Å; D693-R695 PolarHBondContact O-N 3.24Å
694	D	52.6	Low	56.9	Low	82 Å²	82	81.2 Å²	81.2	44%	0.439	41%	0.414	S	S	.	.			trans	-78.2	79.6	179.9	-161.7	-14.9	0	0	0	112.6	S692 I696 L697 V698	S692-D694 PolarHBondContact O-N 3.45Å; S692-D694 VanDerWaalsContact O-N 3.09Å; D694-I696 PolarHBondContact O-N 3.37Å; D694-I696 VanDerWaalsContact O-N 3.13Å; D694-I696 WeakPolarHBondContact OD1-CB 3.2Å; D694-I696 PolarHBondContact OD1-N 2.87Å; D694-I696 VanDerWaalsContact OD1-N 3.15Å; D694-L697 HydrophobicContact CB-CB 4.01Å; D694-L697 PolarHBondContact O-N 3.43Å; D694-L697 VanDerWaalsContact O-N 3.16Å; D694-L697 PolarHBondContact OD1-N 3.19Å; D694-V698 PolarHBondContact O-N 2.85Å; D694-V698 VanDerWaalsContact O-N 3.14Å
695	R	62.2	Low	58.4	Low	180 Å²	180	78.6 Å²	78.6	68%	0.679	40%	0.402	S	S	*	.	H	α-helix	trans	-55.3	-28.1	175.4	-63.8	-176.3	-177.6	-176.3	3.9	113.4	D693 K699	D693-R695 VanDerWaalsContact C-N 3.33Å; D693-R695 PolarHBondContact O-N 3.24Å; R695-K699 VanDerWaalsContact O-CB 3.31Å; R695-K699 WeakPolarHBondContact O-CB 3.16Å; R695-K699 PolarHBondContact O-N 3.47Å; R695-K699 VanDerWaalsContact O-N 3.11Å
696	I	61.3	Low	60.2	Low	138 Å²	138	81.1 Å²	81.1	71%	0.708	41%	0.413	S	S	*	.	H	α-helix	trans	-70.9	-47.6	-179	-60.1	175.7	0	0	0	108.6	D694 K699 F700	D694-I696 PolarHBondContact O-N 3.37Å; D694-I696 VanDerWaalsContact O-N 3.13Å; D694-I696 WeakPolarHBondContact OD1-CB 3.2Å; D694-I696 PolarHBondContact OD1-N 2.87Å; D694-I696 VanDerWaalsContact OD1-N 3.15Å; I696-K699 PolarHBondContact O-N 3.39Å; I696-F700 WeakPolarHBondContact O-CB 3.32Å; I696-F700 PolarHBondContact O-N 3.38Å
697	L	62	Low	61.9	Low	65 Å²	65	80 Å²	80	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-61	-46.7	178.4	-168.6	67.9	0	0	0	111.6	V688 D694 K699 F700 Y701	V688-L697 HydrophobicContact CG1-CD2 4.12Å; V688-L697 HydrophobicContact CG2-CD2 3.6Å; V688-L697 HydrophobicContact CG2-CG 3.77Å; D694-L697 HydrophobicContact CB-CB 4.01Å; D694-L697 PolarHBondContact O-N 3.43Å; D694-L697 VanDerWaalsContact O-N 3.16Å; D694-L697 PolarHBondContact OD1-N 3.19Å; L697-K699 VanDerWaalsContact C-N 3.34Å; L697-K699 PolarHBondContact O-N 2.91Å; L697-F700 WeakPolarHBondContact O-CB 3.39Å; L697-F700 PolarHBondContact O-N 2.8Å; L697-Y701 HydrophobicContact CD1-CD2 4.17Å; L697-Y701 HydrophobicContact CD1-CE2 3.6Å; L697-Y701 HydrophobicContact CD2-CE2 4.22Å; L697-Y701 HydrophobicContact CG-CD2 3.96Å; L697-Y701 HydrophobicContact CG-CE2 3.65Å; L697-Y701 VanDerWaalsContact O-CD2 3.26Å; L697-Y701 WeakPolarHBondContact O-CD2 3.46Å; L697-Y701 PolarHBondContact O-N 3.49Å
698	V	64.8	Low	63.7	Low	24 Å²	24	81.5 Å²	81.5	15%	0.145	41%	0.409	C	S	.	.	H	α-helix	trans	-56.4	-47.5	175.7	172.8	0	0	0	0	111.6	Y652 V688 D694 F700 Y701 E702	Y652-V698 WeakPolarHBondContact OH-CG1 3.37Å; V688-V698 HydrophobicContact CB-CG2 4.42Å; V688-V698 HydrophobicContact CG1-CG2 3.53Å; D694-V698 PolarHBondContact O-N 2.85Å; D694-V698 VanDerWaalsContact O-N 3.14Å; V698-F700 VanDerWaalsContact C-N 3.31Å; V698-F700 PolarHBondContact O-N 2.8Å; V698-Y701 PolarHBondContact O-N 3.36Å; V698-E702 WeakPolarHBondContact O-CB 3.11Å; V698-E702 PolarHBondContact O-N 3.13Å
699	K	69.3	Low	65.8	Low	144 Å²	144	81.2 Å²	81.2	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-67.4	-32.7	-179.8	-171.6	176	-178.9	-176.5	0	112.2	R695 I696 L697 T703	R695-K699 VanDerWaalsContact O-CB 3.31Å; R695-K699 WeakPolarHBondContact O-CB 3.16Å; R695-K699 PolarHBondContact O-N 3.47Å; R695-K699 VanDerWaalsContact O-N 3.11Å; I696-K699 PolarHBondContact O-N 3.39Å; L697-K699 VanDerWaalsContact C-N 3.34Å; L697-K699 PolarHBondContact O-N 2.91Å; K699-T703 WeakPolarHBondContact O-CB 3.41Å; K699-T703 PolarHBondContact O-N 2.93Å; K699-T703 PolarHBondContact O-OG1 2.98Å
700	F	71.2	Confident	68	Low	110 Å²	110	80.8 Å²	80.8	48%	0.482	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-53.1	174.8	176.8	-99.9	0	0	0	111.1	I696 L697 V698 E702 T703 Q704	I696-F700 WeakPolarHBondContact O-CB 3.32Å; I696-F700 PolarHBondContact O-N 3.38Å; L697-F700 WeakPolarHBondContact O-CB 3.39Å; L697-F700 PolarHBondContact O-N 2.8Å; V698-F700 VanDerWaalsContact C-N 3.31Å; V698-F700 PolarHBondContact O-N 2.8Å; F700-E702 VanDerWaalsContact C-N 3.34Å; F700-E702 PolarHBondContact O-N 2.72Å; F700-T703 WeakPolarHBondContact O-CB 3.09Å; F700-T703 PolarHBondContact O-N 2.67Å; F700-T703 VanDerWaalsContact O-N 3.08Å; F700-Q704 HydrophobicContact CD1-CG 4.38Å; F700-Q704 HydrophobicContact CE1-CG 4.04Å; F700-Q704 VanDerWaalsContact CE1-NE2 3.25Å; F700-Q704 VanDerWaalsContact CE1-OE1 3.3Å; F700-Q704 HydrophobicContact CE2-CG 4.38Å; F700-Q704 VanDerWaalsContact CZ-CD 3.45Å; F700-Q704 HydrophobicContact CZ-CG 4.05Å; F700-Q704 PolarHBondContact O-N 3.47Å
701	Y	69.9	Low	69.8	Low	73 Å²	73	85.1 Å²	85.1	29%	0.286	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-38.3	177.1	-76.8	-73.7	0	0	0	112.8	I685 T687 V688 L697 V698 T703 Q704 L705	I685-Y701 HydrophobicContact CG2-CG 4.14Å; T687-Y701 HydrophobicContact CG2-CE1 4.29Å; T687-Y701 WeakPolarHBondContact OG1-CE1 3.45Å; V688-Y701 HydrophobicContact CG2-CD2 3.28Å; V688-Y701 HydrophobicContact CG2-CE2 3.26Å; V688-Y701 HydrophobicContact CG2-CG 4.34Å; L697-Y701 HydrophobicContact CD1-CD2 4.17Å; L697-Y701 HydrophobicContact CD1-CE2 3.6Å; L697-Y701 HydrophobicContact CD2-CE2 4.22Å; L697-Y701 HydrophobicContact CG-CD2 3.96Å; L697-Y701 HydrophobicContact CG-CE2 3.65Å; L697-Y701 VanDerWaalsContact O-CD2 3.26Å; L697-Y701 WeakPolarHBondContact O-CD2 3.46Å; L697-Y701 PolarHBondContact O-N 3.49Å; V698-Y701 PolarHBondContact O-N 3.36Å; Y701-T703 VanDerWaalsContact C-N 3.27Å; Y701-T703 PolarHBondContact O-N 3.14Å; Y701-Q704 PolarHBondContact O-N 2.78Å; Y701-L705 WeakPolarHBondContact O-CB 3.25Å; Y701-L705 PolarHBondContact O-N 3.02Å
702	E	75.5	Confident	71.6	Confident	32 Å²	32	82.1 Å²	82.1	15%	0.15	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-43.2	172.6	-173.9	-162.5	130.6	0	0	111.4	L649 K653 V698 F700 K706	L649-E702 HydrophobicContact CD1-CG 3.66Å; K653-E702 WeakPolarHBondContact CE-OE1 3.45Å; K653-E702 IonicContact NZ-OE1 3.54Å; K653-E702 PolarHBondContact NZ-OE1 3.38Å; V698-E702 WeakPolarHBondContact O-CB 3.11Å; V698-E702 PolarHBondContact O-N 3.13Å; F700-E702 VanDerWaalsContact C-N 3.34Å; F700-E702 PolarHBondContact O-N 2.72Å; E702-K706 WeakPolarHBondContact O-CB 3.1Å; E702-K706 PolarHBondContact O-N 2.68Å
703	T	77.4	Confident	73.4	Confident	70 Å²	70	80.2 Å²	80.2	43%	0.429	38%	0.38	S	S	.	.	H	α-helix	trans	-70.5	-42	-179.9	-56.7	0	0	0	0	111.2	K699 F700 Y701 K706 T707	K699-T703 WeakPolarHBondContact O-CB 3.41Å; K699-T703 PolarHBondContact O-N 2.93Å; K699-T703 PolarHBondContact O-OG1 2.98Å; F700-T703 WeakPolarHBondContact O-CB 3.09Å; F700-T703 PolarHBondContact O-N 2.67Å; F700-T703 VanDerWaalsContact O-N 3.08Å; Y701-T703 VanDerWaalsContact C-N 3.27Å; Y701-T703 PolarHBondContact O-N 3.14Å; T703-K706 PolarHBondContact O-N 3.28Å; T703-T707 WeakPolarHBondContact O-CB 3.32Å; T703-T707 PolarHBondContact O-N 3.28Å; T703-T707 PolarHBondContact O-OG1 3.3Å
704	Q	78.1	Confident	75.1	Confident	92 Å²	92	73.4 Å²	73.4	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-49.9	175.6	-74.5	-169.5	-38.5	0	0	111.7	F700 Y701 K706 T707 K708	F700-Q704 HydrophobicContact CD1-CG 4.38Å; F700-Q704 HydrophobicContact CE1-CG 4.04Å; F700-Q704 VanDerWaalsContact CE1-NE2 3.25Å; F700-Q704 VanDerWaalsContact CE1-OE1 3.3Å; F700-Q704 HydrophobicContact CE2-CG 4.38Å; F700-Q704 VanDerWaalsContact CZ-CD 3.45Å; F700-Q704 HydrophobicContact CZ-CG 4.05Å; F700-Q704 PolarHBondContact O-N 3.47Å; Y701-Q704 PolarHBondContact O-N 2.78Å; Q704-K706 PolarHBondContact O-N 3.07Å; Q704-T707 PolarHBondContact O-N 3.31Å; Q704-T707 VanDerWaalsContact O-N 3.16Å; Q704-K708 WeakPolarHBondContact O-CB 3.43Å; Q704-K708 PolarHBondContact O-N 3.43Å
705	L	79.9	Confident	76.5	Confident	38 Å²	38	73.6 Å²	73.6	20%	0.199	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-45.3	178.8	-178	66.1	0	0	0	111.4	F683 Y701 T707 K708 I709	F683-L705 HydrophobicContact CE1-CD2 4.23Å; F683-L705 HydrophobicContact CZ-CD2 3.61Å; Y701-L705 WeakPolarHBondContact O-CB 3.25Å; Y701-L705 PolarHBondContact O-N 3.02Å; L705-T707 VanDerWaalsContact C-N 3.3Å; L705-T707 PolarHBondContact O-N 3.03Å; L705-K708 PolarHBondContact O-N 3.11Å; L705-I709 HydrophobicContact CD1-CD1 4.14Å; L705-I709 HydrophobicContact CD1-CG1 4.41Å; L705-I709 HydrophobicContact CG-CD1 3.86Å; L705-I709 WeakPolarHBondContact O-CB 3.5Å; L705-I709 WeakPolarHBondContact O-CD1 3.22Å; L705-I709 VanDerWaalsContact O-CG1 3.24Å; L705-I709 WeakPolarHBondContact O-CG1 3.41Å; L705-I709 PolarHBondContact O-N 3.44Å
706	K	84.6	Confident	77.2	Confident	73 Å²	73	65.7 Å²	65.7	32%	0.317	31%	0.312	S	S	.	.	H	α-helix	trans	-57	-45	175.1	-176	-172	170.5	-163.2	0	111.8	L649 E702 T703 Q704 Y710	L649-K706 HydrophobicContact CD2-CB 3.7Å; L649-K706 HydrophobicContact CD2-CG 3.97Å; E702-K706 WeakPolarHBondContact O-CB 3.1Å; E702-K706 PolarHBondContact O-N 2.68Å; T703-K706 PolarHBondContact O-N 3.28Å; Q704-K706 PolarHBondContact O-N 3.07Å; K706-Y710 HydrophobicContact CD-CE2 4.05Å; K706-Y710 HydrophobicContact CG-CD2 3.8Å; K706-Y710 HydrophobicContact CG-CE2 3.53Å; K706-Y710 WeakPolarHBondContact O-CB 3.21Å; K706-Y710 WeakPolarHBondContact O-CD2 3.14Å; K706-Y710 VanDerWaalsContact O-CG 3.25Å; K706-Y710 PolarHBondContact O-N 2.79Å; K706-Y710 VanDerWaalsContact O-N 3.12Å
707	T	81	Confident	78.1	Confident	84 Å²	84	59.1 Å²	59.1	52%	0.515	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-46.5	-177.8	-55.4	0	0	0	0	110.3	T703 Q704 L705 I709 Y710 Y711	T703-T707 WeakPolarHBondContact O-CB 3.32Å; T703-T707 PolarHBondContact O-N 3.28Å; T703-T707 PolarHBondContact O-OG1 3.3Å; Q704-T707 PolarHBondContact O-N 3.31Å; Q704-T707 VanDerWaalsContact O-N 3.16Å; L705-T707 VanDerWaalsContact C-N 3.3Å; L705-T707 PolarHBondContact O-N 3.03Å; T707-I709 PolarHBondContact O-N 3.34Å; T707-Y710 PolarHBondContact O-N 3.38Å; T707-Y711 VanDerWaalsContact O-CB 3.24Å; T707-Y711 WeakPolarHBondContact O-CB 3.28Å; T707-Y711 PolarHBondContact O-N 2.85Å
708	K	81.9	Confident	79.1	Confident	119 Å²	119	59.1 Å²	59.1	52%	0.517	28%	0.276	S	S	.	.	H	α-helix	trans	-54.7	-54.2	174.7	-177.6	-179.1	178.6	-171.5	0	111.4	Q704 L705 Y710 Y711 D712	Q704-K708 WeakPolarHBondContact O-CB 3.43Å; Q704-K708 PolarHBondContact O-N 3.43Å; L705-K708 PolarHBondContact O-N 3.11Å; K708-Y710 VanDerWaalsContact C-N 3.29Å; K708-Y710 PolarHBondContact O-N 3.3Å; K708-Y711 PolarHBondContact O-N 2.8Å; K708-D712 WeakPolarHBondContact CE-OD2 3.47Å; K708-D712 VanDerWaalsContact CG-OD2 3.31Å; K708-D712 WeakPolarHBondContact CG-OD2 3.27Å; K708-D712 WeakPolarHBondContact O-CB 3.36Å; K708-D712 PolarHBondContact O-N 2.87Å
709	I	84.3	Confident	79.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.9	-46	-179.9	-69.3	165.6	0	0	0	111.6	L642 Q645 W646 L705 T707 L713	L642-I709 HydrophobicContact CD2-CG1 4.39Å; Q645-I709 HydrophobicContact CB-CD1 3.77Å; Q645-I709 HydrophobicContact CB-CG1 4.32Å; W646-I709 HydrophobicContact CB-CG2 4.01Å; L705-I709 HydrophobicContact CD1-CD1 4.14Å; L705-I709 HydrophobicContact CD1-CG1 4.41Å; L705-I709 HydrophobicContact CG-CD1 3.86Å; L705-I709 WeakPolarHBondContact O-CB 3.5Å; L705-I709 WeakPolarHBondContact O-CD1 3.22Å; L705-I709 VanDerWaalsContact O-CG1 3.24Å; L705-I709 WeakPolarHBondContact O-CG1 3.41Å; L705-I709 PolarHBondContact O-N 3.44Å; T707-I709 PolarHBondContact O-N 3.34Å; I709-L713 HydrophobicContact CG2-CD1 3.87Å; I709-L713 VanDerWaalsContact O-CB 3.27Å; I709-L713 WeakPolarHBondContact O-CB 3.1Å; I709-L713 WeakPolarHBondContact O-CD1 3.5Å; I709-L713 WeakPolarHBondContact O-CG 3.33Å; I709-L713 PolarHBondContact O-N 2.94Å
710	Y	88.6	Confident	80	Confident	28 Å²	28	56.4 Å²	56.4	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-74.8	-33.8	-176.7	-67.4	-21	0	0	0	113.8	W646 K706 T707 K708 F714 P735 V737	W646-Y710 AromaticContact CD1-CE1 3.58Å; W646-Y710 AromaticContact NE1-CE1 3.75Å; W646-Y710 PolarHBondContact NE1-OH 2.91Å; K706-Y710 HydrophobicContact CD-CE2 4.05Å; K706-Y710 HydrophobicContact CG-CD2 3.8Å; K706-Y710 HydrophobicContact CG-CE2 3.53Å; K706-Y710 WeakPolarHBondContact O-CB 3.21Å; K706-Y710 WeakPolarHBondContact O-CD2 3.14Å; K706-Y710 VanDerWaalsContact O-CG 3.25Å; K706-Y710 PolarHBondContact O-N 2.79Å; K706-Y710 VanDerWaalsContact O-N 3.12Å; T707-Y710 PolarHBondContact O-N 3.38Å; K708-Y710 VanDerWaalsContact C-N 3.29Å; K708-Y710 PolarHBondContact O-N 3.3Å; Y710-F714 VanDerWaalsContact O-CB 3.26Å; Y710-F714 WeakPolarHBondContact O-CB 3.18Å; Y710-F714 PolarHBondContact O-N 3.43Å; Y710-P735 HydrophobicContact CD1-CB 4.46Å; Y710-P735 HydrophobicContact CD2-CB 3.54Å; Y710-P735 HydrophobicContact CD2-CG 3.25Å; Y710-P735 HydrophobicContact CE2-CB 3.95Å; Y710-P735 HydrophobicContact CE2-CG 3.69Å; Y710-P735 WeakPolarHBondContact CE2-O 3.48Å; Y710-P735 HydrophobicContact CG-CB 3.77Å; Y710-P735 HydrophobicContact CG-CG 3.96Å; Y710-V737 HydrophobicContact CD1-CG2 4.35Å; Y710-V737 HydrophobicContact CE1-CG2 3.85Å
711	Y	81.9	Confident	80.2	Confident	129 Å²	129	51.7 Å²	51.7	51%	0.506	25%	0.248	S	C	.	.	H	α-helix	trans	-67.4	-51.8	174.8	-177	-93.2	0	0	0	110.4	T707 K708 L713 F714 E715	T707-Y711 VanDerWaalsContact O-CB 3.24Å; T707-Y711 WeakPolarHBondContact O-CB 3.28Å; T707-Y711 PolarHBondContact O-N 2.85Å; K708-Y711 PolarHBondContact O-N 2.8Å; Y711-L713 VanDerWaalsContact C-N 3.34Å; Y711-L713 PolarHBondContact O-N 3.29Å; Y711-F714 WeakPolarHBondContact O-CA 3.16Å; Y711-F714 WeakPolarHBondContact O-CB 3.09Å; Y711-F714 PolarHBondContact O-N 3.33Å; Y711-E715 HydrophobicContact CD1-CG 4.22Å; Y711-E715 HydrophobicContact CE1-CG 3.73Å; Y711-E715 WeakPolarHBondContact CE1-OE1 3.42Å; Y711-E715 PolarHBondContact O-N 3.07Å; Y711-E715 PolarHBondContact OH-OE1 2.84Å
712	D	83	Confident	80.7	Confident	42 Å²	42	57.3 Å²	57.3	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-42.4	179.8	-61.1	-7.5	0	0	0	111	L642 K708 F714 E715 I716	L642-D712 HydrophobicContact CD1-CB 3.65Å; L642-D712 HydrophobicContact CD2-CB 4.03Å; K708-D712 WeakPolarHBondContact CE-OD2 3.47Å; K708-D712 VanDerWaalsContact CG-OD2 3.31Å; K708-D712 WeakPolarHBondContact CG-OD2 3.27Å; K708-D712 WeakPolarHBondContact O-CB 3.36Å; K708-D712 PolarHBondContact O-N 2.87Å; D712-F714 VanDerWaalsContact C-N 3.34Å; D712-F714 PolarHBondContact O-N 3.41Å; D712-E715 PolarHBondContact O-N 2.87Å; D712-I716 WeakPolarHBondContact O-CD1 3.27Å; D712-I716 VanDerWaalsContact O-CG1 3.23Å; D712-I716 WeakPolarHBondContact O-CG1 3.09Å; D712-I716 PolarHBondContact O-N 3.33Å
713	L	84.4	Confident	80.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-36.8	173.7	-76.6	172.9	0	0	0	112.8	V639 L642 L643 I709 Y711 V717 V737	V639-L713 HydrophobicContact CG1-CD2 4.32Å; L642-L713 HydrophobicContact CB-CD2 4.21Å; L642-L713 HydrophobicContact CB-CG 4.28Å; L642-L713 HydrophobicContact CD1-CD2 4.27Å; L642-L713 HydrophobicContact CD1-CG 4.31Å; L643-L713 HydrophobicContact CD2-CD1 4.06Å; L643-L713 HydrophobicContact CD2-CD2 4.23Å; L643-L713 HydrophobicContact CG-CD2 4.33Å; I709-L713 HydrophobicContact CG2-CD1 3.87Å; I709-L713 VanDerWaalsContact O-CB 3.27Å; I709-L713 WeakPolarHBondContact O-CB 3.1Å; I709-L713 WeakPolarHBondContact O-CD1 3.5Å; I709-L713 WeakPolarHBondContact O-CG 3.33Å; I709-L713 PolarHBondContact O-N 2.94Å; Y711-L713 VanDerWaalsContact C-N 3.34Å; Y711-L713 PolarHBondContact O-N 3.29Å; L713-V717 WeakPolarHBondContact O-CB 3.31Å; L713-V717 VanDerWaalsContact O-CG2 3.29Å; L713-V717 WeakPolarHBondContact O-CG2 3.29Å; L713-V717 PolarHBondContact O-N 2.96Å; L713-V717 VanDerWaalsContact O-N 3.15Å; L713-V737 HydrophobicContact CD1-CG2 3.87Å
714	F	84.1	Confident	81.3	Confident	19 Å²	19	57.6 Å²	57.6	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-68.3	-45.6	177.6	176.8	-104	0	0	0	111.3	Y710 Y711 D712 I716 V717 Q718 K728 W731 L732	Y710-F714 VanDerWaalsContact O-CB 3.26Å; Y710-F714 WeakPolarHBondContact O-CB 3.18Å; Y710-F714 PolarHBondContact O-N 3.43Å; Y711-F714 WeakPolarHBondContact O-CA 3.16Å; Y711-F714 WeakPolarHBondContact O-CB 3.09Å; Y711-F714 PolarHBondContact O-N 3.33Å; D712-F714 VanDerWaalsContact C-N 3.34Å; D712-F714 PolarHBondContact O-N 3.41Å; F714-I716 PolarHBondContact O-N 3.15Å; F714-V717 PolarHBondContact O-N 2.81Å; F714-V717 VanDerWaalsContact O-N 3.11Å; F714-Q718 HydrophobicContact CD2-CB 4.49Å; F714-Q718 HydrophobicContact CE1-CB 4.21Å; F714-Q718 HydrophobicContact CE2-CB 4.13Å; F714-Q718 HydrophobicContact CZ-CB 3.98Å; F714-Q718 VanDerWaalsContact O-CB 3.29Å; F714-Q718 WeakPolarHBondContact O-CB 3.43Å; F714-Q718 PolarHBondContact O-N 3Å; F714-K728 HydrophobicContact CE2-CG 4.39Å; F714-K728 HydrophobicContact CZ-CG 4.3Å; F714-W731 AromaticContact CD2-CD1 3.33Å; F714-W731 HydrophobicContact CD2-CG 4.32Å; F714-W731 AromaticContact CD2-NE1 3.51Å; F714-W731 AromaticContact CE2-CD1 3.94Å; F714-W731 AromaticContact CG-NE1 3.91Å; F714-L732 HydrophobicContact CD1-CD2 4.41Å; F714-L732 HydrophobicContact CE1-CD2 4.16Å; F714-L732 HydrophobicContact CE2-CD2 4.49Å; F714-L732 HydrophobicContact CZ-CD2 4.18Å
715	E	80.6	Confident	81.5	Confident	85 Å²	85	59.4 Å²	59.4	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-36.7	177	-74.6	-161.4	154.2	0	0	112.1	Y629 Y711 D712 Q718	Y629-E715 PolarHBondContact OH-O 3.38Å; Y711-E715 HydrophobicContact CD1-CG 4.22Å; Y711-E715 HydrophobicContact CE1-CG 3.73Å; Y711-E715 WeakPolarHBondContact CE1-OE1 3.42Å; Y711-E715 PolarHBondContact O-N 3.07Å; Y711-E715 PolarHBondContact OH-OE1 2.84Å; D712-E715 PolarHBondContact O-N 2.87Å; E715-Q718 PolarHBondContact O-NE2 3.33Å
716	I	78.5	Confident	81.8	Confident	15 Å²	15	65 Å²	65	8%	0.077	31%	0.314	C	S	.	.	H	α-helix	trans	-71.5	-38.2	178.5	-67.2	165.8	0	0	0	111.9	Y629 V634 V639 L642 D712 F714 I720	Y629-I716 PolarHBondContact OH-O 2.99Å; V634-I716 HydrophobicContact CG1-CD1 4.05Å; V634-I716 HydrophobicContact CG1-CG1 4.03Å; V634-I716 HydrophobicContact CG1-CG2 3.75Å; V634-I716 HydrophobicContact CG2-CG1 4.09Å; V639-I716 HydrophobicContact CG2-CD1 3.96Å; V639-I716 HydrophobicContact CG2-CG2 4.15Å; L642-I716 HydrophobicContact CD1-CD1 4.09Å; D712-I716 WeakPolarHBondContact O-CD1 3.27Å; D712-I716 VanDerWaalsContact O-CG1 3.23Å; D712-I716 WeakPolarHBondContact O-CG1 3.09Å; D712-I716 PolarHBondContact O-N 3.33Å; F714-I716 PolarHBondContact O-N 3.15Å; I716-I720 VanDerWaalsContact O-CD1 3.26Å; I716-I720 WeakPolarHBondContact O-CD1 3.27Å
717	V	80.1	Confident	81.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-100.2	-15.1	-168.9	-176.9	0	0	0	0	113.7	F615 L713 F714 D719 I720 V721 W723 L740 L744	F615-V717 HydrophobicContact CE2-CG2 3.72Å; F615-V717 HydrophobicContact CZ-CG2 3.39Å; L713-V717 WeakPolarHBondContact O-CB 3.31Å; L713-V717 VanDerWaalsContact O-CG2 3.29Å; L713-V717 WeakPolarHBondContact O-CG2 3.29Å; L713-V717 PolarHBondContact O-N 2.96Å; L713-V717 VanDerWaalsContact O-N 3.15Å; F714-V717 PolarHBondContact O-N 2.81Å; F714-V717 VanDerWaalsContact O-N 3.11Å; V717-D719 PolarHBondContact O-N 2.89Å; V717-D719 VanDerWaalsContact O-N 3.14Å; V717-I720 PolarHBondContact O-N 3.16Å; V717-V721 HydrophobicContact CG1-CB 4.19Å; V717-V721 HydrophobicContact CG1-CG2 3.33Å; V717-V721 PolarHBondContact O-N 3.25Å; V717-V721 VanDerWaalsContact O-N 3.08Å; V717-W723 HydrophobicContact CG1-CZ2 4.32Å; V717-L740 HydrophobicContact CB-CD1 4.16Å; V717-L740 HydrophobicContact CG1-CD1 3.65Å; V717-L740 HydrophobicContact CG1-CG 4.21Å; V717-L740 HydrophobicContact CG2-CD2 4.11Å; V717-L744 HydrophobicContact CG1-CD1 4.39Å
718	Q	82.4	Confident	81.9	Confident	64 Å²	64	64.3 Å²	64.3	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.1	-175.1	66.3	-178.1	-32.2	0	0	113.2	F714 E715 W723	F714-Q718 HydrophobicContact CD2-CB 4.49Å; F714-Q718 HydrophobicContact CE1-CB 4.21Å; F714-Q718 HydrophobicContact CE2-CB 4.13Å; F714-Q718 HydrophobicContact CZ-CB 3.98Å; F714-Q718 VanDerWaalsContact O-CB 3.29Å; F714-Q718 WeakPolarHBondContact O-CB 3.43Å; F714-Q718 PolarHBondContact O-N 3Å; E715-Q718 PolarHBondContact O-NE2 3.33Å; Q718-W723 VanDerWaalsContact O-CD1 3.23Å; Q718-W723 PolarHBondContact O-NE1 2.88Å
719	D	75.6	Confident	82	Confident	88 Å²	88	64.5 Å²	64.5	47%	0.471	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-18.7	-178.3	-64	-31	0	0	0	112.5	H622 Y629 V717	H622-D719 PolarHBondContact CE1-O 3.37Å; H622-D719 PolarHBondContact NE2-O 2.85Å; H622-D719 VanDerWaalsContact NE2-O 3.07Å; Y629-D719 HydrophobicContact CE2-CB 3.69Å; Y629-D719 WeakPolarHBondContact CE2-OD2 3.5Å; V717-D719 PolarHBondContact O-N 2.89Å; V717-D719 VanDerWaalsContact O-N 3.14Å
720	I	76.6	Confident	82	Confident	24 Å²	24	67.5 Å²	67.5	12%	0.123	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-39	-177.3	-57	175.7	0	0	0	111.2	I619 H622 I716 V717 L744	I619-I720 HydrophobicContact CB-CD1 4.18Å; I619-I720 HydrophobicContact CG1-CD1 3.62Å; I619-I720 HydrophobicContact CG2-CD1 4.31Å; H622-I720 HydrophobicContact CB-CG1 4.32Å; H622-I720 HydrophobicContact CB-CG2 4.42Å; I716-I720 VanDerWaalsContact O-CD1 3.26Å; I716-I720 WeakPolarHBondContact O-CD1 3.27Å; V717-I720 PolarHBondContact O-N 3.16Å; I720-L744 HydrophobicContact CG2-CD2 4.3Å
721	V	76.3	Confident	81.8	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.067	32%	0.317	C	S	.	.	S	Bend	trans	-88.8	132.8	-179.6	170.5	0	0	0	0	109.3	V717 W723 L744	V717-V721 HydrophobicContact CG1-CB 4.19Å; V717-V721 HydrophobicContact CG1-CG2 3.33Å; V717-V721 PolarHBondContact O-N 3.25Å; V717-V721 VanDerWaalsContact O-N 3.08Å; V721-W723 HydrophobicContact CB-CD2 4.25Å; V721-W723 HydrophobicContact CB-CG 4.35Å; V721-W723 HydrophobicContact CB-CZ2 4.11Å; V721-W723 HydrophobicContact CG1-CD2 3.74Å; V721-W723 HydrophobicContact CG1-CE3 4.34Å; V721-W723 HydrophobicContact CG1-CG 3.91Å; V721-W723 HydrophobicContact CG1-CZ2 4.14Å; V721-W723 HydrophobicContact CG2-CZ2 4.4Å; V721-W723 PolarHBondContact O-N 2.72Å; V721-L744 HydrophobicContact CG2-CD1 4.47Å; V721-L744 HydrophobicContact CG2-CD2 3.26Å; V721-L744 HydrophobicContact CG2-CG 3.58Å
722	Q	79.8	Confident	81.8	Confident	191 Å²	191	65.2 Å²	65.2	89%	0.893	32%	0.319	S	S	*	.			trans	-76.3	80.8	167.7	-69.2	-179.3	-11.3	0	0	109.4
723	W	79.5	Confident	81.7	Confident	38 Å²	38	69.9 Å²	69.9	14%	0.144	34%	0.339	C	S	.	.			trans	-68.3	134.6	179.7	-60.1	89.9	0	0	0	110.9	V717 Q718 V721 Q727 K728 W731 L740 Y743	V717-W723 HydrophobicContact CG1-CZ2 4.32Å; Q718-W723 VanDerWaalsContact O-CD1 3.23Å; Q718-W723 PolarHBondContact O-NE1 2.88Å; V721-W723 HydrophobicContact CB-CD2 4.25Å; V721-W723 HydrophobicContact CB-CG 4.35Å; V721-W723 HydrophobicContact CB-CZ2 4.11Å; V721-W723 HydrophobicContact CG1-CD2 3.74Å; V721-W723 HydrophobicContact CG1-CE3 4.34Å; V721-W723 HydrophobicContact CG1-CG 3.91Å; V721-W723 HydrophobicContact CG1-CZ2 4.14Å; V721-W723 HydrophobicContact CG2-CZ2 4.4Å; V721-W723 PolarHBondContact O-N 2.72Å; W723-Q727 HydrophobicContact CE3-CB 3.85Å; W723-Q727 HydrophobicContact CZ3-CB 4.45Å; W723-K728 HydrophobicContact CB-CB 4.16Å; W723-W731 HydrophobicContact CH2-CB 4.11Å; W723-W731 AromaticContact CH2-CD2 3.99Å; W723-W731 HydrophobicContact CH2-CD2 3.99Å; W723-W731 HydrophobicContact CH2-CE3 4.15Å; W723-W731 AromaticContact CH2-CG 3.94Å; W723-W731 HydrophobicContact CH2-CG 3.94Å; W723-W731 HydrophobicContact CZ3-CB 3.77Å; W723-W731 HydrophobicContact CZ3-CD2 4.46Å; W723-W731 HydrophobicContact CZ3-CG 4.13Å; W723-L740 HydrophobicContact CH2-CD1 3.7Å; W723-L740 HydrophobicContact CZ2-CD1 3.83Å; W723-Y743 HydrophobicContact CE3-CD2 4.2Å; W723-Y743 HydrophobicContact CE3-CE2 4.42Å; W723-Y743 AromaticContact CH2-CD2 3.75Å; W723-Y743 HydrophobicContact CH2-CD2 3.75Å; W723-Y743 HydrophobicContact CH2-CE2 4.2Å; W723-Y743 AromaticContact CZ3-CD2 3.36Å; W723-Y743 HydrophobicContact CZ3-CD2 3.36Å; W723-Y743 AromaticContact CZ3-CE2 3.53Å; W723-Y743 HydrophobicContact CZ3-CE2 3.53Å; W723-Y743 HydrophobicContact CZ3-CG 4.35Å
724	T	85.4	Confident	81.7	Confident	70 Å²	70	74 Å²	74	43%	0.429	36%	0.362	S	S	.	.			trans	-74.7	154.6	154.3	70.6	0	0	0	0	109.6	E726 Q727 K728	T724-E726 PolarHBondContact O-N 3.32Å; T724-Q727 PolarHBondContact O-N 2.86Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.36Å; T724-Q727 PolarHBondContact OG1-N 2.95Å; T724-K728 PolarHBondContact O-N 3.43Å
725	D	83.3	Confident	81.6	Confident	130 Å²	130	74.6 Å²	74.6	70%	0.695	37%	0.367	S	S	*	.	H	α-helix	trans	-55.4	-39.5	177.7	-71	-37.6	0	0	0	111.9	K728 Q729	D725-K728 PolarHBondContact O-N 2.88Å; D725-Q729 WeakPolarHBondContact O-CB 3.28Å; D725-Q729 WeakPolarHBondContact O-CG 3.35Å; D725-Q729 PolarHBondContact O-N 3.41Å
726	E	86.4	Confident	81.9	Confident	156 Å²	156	77.6 Å²	77.6	73%	0.729	38%	0.375	S	S	*	.	H	α-helix	trans	-62.6	-42.9	175	-63.8	-175.3	173.8	0	0	112.6	T724 H730	T724-E726 PolarHBondContact O-N 3.32Å; E726-H730 WeakPolarHBondContact O-CB 3.08Å; E726-H730 PolarHBondContact O-N 2.78Å
727	Q	85.7	Confident	82.3	Confident	57 Å²	57	76.9 Å²	76.9	27%	0.266	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-41.1	178.1	-72.8	170.4	-2.7	0	0	111.4	W723 T724 H730 W731 Y743	W723-Q727 HydrophobicContact CE3-CB 3.85Å; W723-Q727 HydrophobicContact CZ3-CB 4.45Å; T724-Q727 PolarHBondContact O-N 2.86Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.36Å; T724-Q727 PolarHBondContact OG1-N 2.95Å; Q727-H730 PolarHBondContact O-N 3.36Å; Q727-W731 WeakPolarHBondContact O-CB 3.46Å; Q727-W731 PolarHBondContact O-N 3.1Å; Q727-Y743 HydrophobicContact CB-CE1 4.42Å; Q727-Y743 HydrophobicContact CG-CD1 4.3Å; Q727-Y743 HydrophobicContact CG-CE1 3.85Å
728	K	82.3	Confident	82.7	Confident	85 Å²	85	78.9 Å²	78.9	37%	0.37	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-47.9	177.6	-167.2	174.5	-175.3	175	0	110.8	F714 W723 T724 D725 W731 L732	F714-K728 HydrophobicContact CE2-CG 4.39Å; F714-K728 HydrophobicContact CZ-CG 4.3Å; W723-K728 HydrophobicContact CB-CB 4.16Å; T724-K728 PolarHBondContact O-N 3.43Å; D725-K728 PolarHBondContact O-N 2.88Å; K728-W731 PolarHBondContact O-N 2.89Å; K728-L732 HydrophobicContact CG-CD1 4.47Å; K728-L732 WeakPolarHBondContact O-CG 3.21Å; K728-L732 PolarHBondContact O-N 3.28Å
729	Q	83.5	Confident	82.8	Confident	122 Å²	122	79 Å²	79	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-61.8	-45.8	174.8	-73.1	-176.2	5.9	0	0	112	D725 W731 L732 Q733	D725-Q729 WeakPolarHBondContact O-CB 3.28Å; D725-Q729 WeakPolarHBondContact O-CG 3.35Å; D725-Q729 PolarHBondContact O-N 3.41Å; Q729-W731 VanDerWaalsContact C-N 3.3Å; Q729-W731 PolarHBondContact O-N 3.07Å; Q729-L732 PolarHBondContact O-N 3.33Å; Q729-Q733 WeakPolarHBondContact O-CB 3.49Å; Q729-Q733 WeakPolarHBondContact O-CG 3.43Å; Q729-Q733 PolarHBondContact O-N 3.24Å
730	H	84.9	Confident	83.3	Confident	63 Å²	63	74.9 Å²	74.9	29%	0.292	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-40.4	177.3	-179.3	-56.4	0	0	0	111	E726 Q727 N734 K739	E726-H730 WeakPolarHBondContact O-CB 3.08Å; E726-H730 PolarHBondContact O-N 2.78Å; Q727-H730 PolarHBondContact O-N 3.36Å; H730-N734 PolarHBondContact O-N 3.47Å; H730-K739 PolarHBondContact CE1-NZ 3.21Å; H730-K739 PolarHBondContact NE2-NZ 3.09Å
731	W	83.6	Confident	84	Confident	4 Å²	4	74 Å²	74	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-48.4	177.1	-179.9	-93.6	0	0	0	111.8	F714 W723 Q727 K728 Q729 Q733 N734 P735 R736 K739 L740 Y743	F714-W731 AromaticContact CD2-CD1 3.33Å; F714-W731 HydrophobicContact CD2-CG 4.32Å; F714-W731 AromaticContact CD2-NE1 3.51Å; F714-W731 AromaticContact CE2-CD1 3.94Å; F714-W731 AromaticContact CG-NE1 3.91Å; W723-W731 HydrophobicContact CH2-CB 4.11Å; W723-W731 AromaticContact CH2-CD2 3.99Å; W723-W731 HydrophobicContact CH2-CD2 3.99Å; W723-W731 HydrophobicContact CH2-CE3 4.15Å; W723-W731 AromaticContact CH2-CG 3.94Å; W723-W731 HydrophobicContact CH2-CG 3.94Å; W723-W731 HydrophobicContact CZ3-CB 3.77Å; W723-W731 HydrophobicContact CZ3-CD2 4.46Å; W723-W731 HydrophobicContact CZ3-CG 4.13Å; Q727-W731 WeakPolarHBondContact O-CB 3.46Å; Q727-W731 PolarHBondContact O-N 3.1Å; K728-W731 PolarHBondContact O-N 2.89Å; Q729-W731 VanDerWaalsContact C-N 3.3Å; Q729-W731 PolarHBondContact O-N 3.07Å; W731-Q733 VanDerWaalsContact C-N 3.29Å; W731-Q733 PolarHBondContact O-N 3.35Å; W731-N734 CarbonylContact O-C 3.57Å; W731-N734 PolarHBondContact O-N 3.23Å; W731-P735 HydrophobicContact CD2-CB 4.39Å; W731-P735 HydrophobicContact CZ2-CB 4.17Å; W731-P735 VanDerWaalsContact O-CA 3.24Å; W731-P735 WeakPolarHBondContact O-CA 3.34Å; W731-P735 WeakPolarHBondContact O-CB 3.43Å; W731-P735 WeakPolarHBondContact O-CD 3.5Å; W731-R736 WeakPolarHBondContact CH2-O 3.47Å; W731-R736 VanDerWaalsContact CZ3-C 3.48Å; W731-R736 WeakPolarHBondContact CZ3-O 3.13Å; W731-K739 HydrophobicContact CZ3-CB 4.47Å; W731-L740 HydrophobicContact CE3-CD1 4.38Å; W731-L740 HydrophobicContact CH2-CB 3.61Å; W731-L740 HydrophobicContact CH2-CD1 3.91Å; W731-L740 HydrophobicContact CH2-CD2 4.05Å; W731-L740 HydrophobicContact CH2-CG 4.09Å; W731-L740 HydrophobicContact CZ2-CD1 4.21Å; W731-L740 HydrophobicContact CZ2-CD2 4.43Å; W731-L740 HydrophobicContact CZ3-CB 3.6Å; W731-L740 HydrophobicContact CZ3-CD1 3.98Å; W731-L740 HydrophobicContact CZ3-CG 4.32Å; W731-Y743 HydrophobicContact CE3-CE2 4.3Å
732	L	81.4	Confident	84.5	Confident	105 Å²	105	79.8 Å²	79.8	55%	0.55	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-36	179.5	-68.6	170.7	0	0	0	112.3	F714 K728 Q729	F714-L732 HydrophobicContact CD1-CD2 4.41Å; F714-L732 HydrophobicContact CE1-CD2 4.16Å; F714-L732 HydrophobicContact CE2-CD2 4.49Å; F714-L732 HydrophobicContact CZ-CD2 4.18Å; K728-L732 HydrophobicContact CG-CD1 4.47Å; K728-L732 WeakPolarHBondContact O-CG 3.21Å; K728-L732 PolarHBondContact O-N 3.28Å; Q729-L732 PolarHBondContact O-N 3.33Å
733	Q	81.9	Confident	84.8	Confident	140 Å²	140	72.4 Å²	72.4	65%	0.654	35%	0.345	S	S	*	.	H	α-helix	trans	-75.3	-39.5	176.4	-70.1	178.3	4.7	0	0	113.1	Q729 W731	Q729-Q733 WeakPolarHBondContact O-CB 3.49Å; Q729-Q733 WeakPolarHBondContact O-CG 3.43Å; Q729-Q733 PolarHBondContact O-N 3.24Å; W731-Q733 VanDerWaalsContact C-N 3.29Å; W731-Q733 PolarHBondContact O-N 3.35Å
734	N	83.3	Confident	85.1	Confident	88 Å²	88	71.5 Å²	71.5	47%	0.471	34%	0.342	S	S	.	.	S	Bend	trans	-141.5	69.9	-172.1	-79.1	-56.9	0	0	0	111.9	H730 W731 R736	H730-N734 PolarHBondContact O-N 3.47Å; W731-N734 CarbonylContact O-C 3.57Å; W731-N734 PolarHBondContact O-N 3.23Å; N734-R736 PolarHBondContact O-N 3.17Å
735	P	82.7	Confident	85.2	Confident	30 Å²	30	76.6 Å²	76.6	20%	0.195	36%	0.361	C	S	.	.			trans	-66.3	128.8	-176.2	24.6	-33.6	0	0	0	110.9	Y710 W731	Y710-P735 HydrophobicContact CD1-CB 4.46Å; Y710-P735 HydrophobicContact CD2-CB 3.54Å; Y710-P735 HydrophobicContact CD2-CG 3.25Å; Y710-P735 HydrophobicContact CE2-CB 3.95Å; Y710-P735 HydrophobicContact CE2-CG 3.69Å; Y710-P735 WeakPolarHBondContact CE2-O 3.48Å; Y710-P735 HydrophobicContact CG-CB 3.77Å; Y710-P735 HydrophobicContact CG-CG 3.96Å; W731-P735 HydrophobicContact CD2-CB 4.39Å; W731-P735 HydrophobicContact CZ2-CB 4.17Å; W731-P735 VanDerWaalsContact O-CA 3.24Å; W731-P735 WeakPolarHBondContact O-CA 3.34Å; W731-P735 WeakPolarHBondContact O-CB 3.43Å; W731-P735 WeakPolarHBondContact O-CD 3.5Å
736	R	86.1	Confident	85.5	Confident	148 Å²	148	71 Å²	71	56%	0.558	33%	0.331	S	S	*	.			trans	-143.9	109	-179.5	-68.3	-173.8	-175.6	-169.7	2.9	109.8	W731 N734 I738 K739 L740	W731-R736 WeakPolarHBondContact CH2-O 3.47Å; W731-R736 VanDerWaalsContact CZ3-C 3.48Å; W731-R736 WeakPolarHBondContact CZ3-O 3.13Å; N734-R736 PolarHBondContact O-N 3.17Å; R736-I738 PolarHBondContact O-N 3.41Å; R736-K739 HydrophobicContact CB-CB 4.18Å; R736-K739 HydrophobicContact CB-CG 4.11Å; R736-K739 WeakPolarHBondContact O-CA 3.37Å; R736-K739 WeakPolarHBondContact O-CB 3.34Å; R736-K739 PolarHBondContact O-N 2.9Å; R736-L740 PolarHBondContact O-N 2.97Å
737	V	87.1	Confident	85.7	Confident	0 Å²	0	73 Å²	73	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-46.5	-41.2	179	174.9	0	0	0	0	113.4	L643 W646 Y710 L713 K739 L740 F741	L643-V737 HydrophobicContact CD2-CG1 3.55Å; L643-V737 HydrophobicContact CD2-CG2 4.47Å; W646-V737 HydrophobicContact CD2-CB 3.91Å; W646-V737 HydrophobicContact CD2-CG1 4.22Å; W646-V737 HydrophobicContact CD2-CG2 3.67Å; W646-V737 HydrophobicContact CE3-CB 4.23Å; W646-V737 HydrophobicContact CE3-CG1 4.08Å; W646-V737 HydrophobicContact CE3-CG2 4.35Å; W646-V737 HydrophobicContact CG-CB 4.49Å; W646-V737 HydrophobicContact CG-CG2 3.72Å; W646-V737 HydrophobicContact CH2-CB 3.95Å; W646-V737 HydrophobicContact CH2-CG1 4.15Å; W646-V737 HydrophobicContact CZ2-CB 3.62Å; W646-V737 HydrophobicContact CZ2-CG1 4.3Å; W646-V737 HydrophobicContact CZ2-CG2 4.12Å; W646-V737 HydrophobicContact CZ3-CB 4.25Å; W646-V737 HydrophobicContact CZ3-CG1 4.04Å; Y710-V737 HydrophobicContact CD1-CG2 4.35Å; Y710-V737 HydrophobicContact CE1-CG2 3.85Å; L713-V737 HydrophobicContact CD1-CG2 3.87Å; V737-K739 VanDerWaalsContact C-N 3.33Å; V737-K739 PolarHBondContact O-N 3.12Å; V737-L740 WeakPolarHBondContact O-CA 3.35Å; V737-L740 WeakPolarHBondContact O-CB 3.49Å; V737-L740 PolarHBondContact O-N 2.87Å; V737-F741 HydrophobicContact CG1-CD2 4.02Å; V737-F741 HydrophobicContact CG1-CE2 3.68Å; V737-F741 WeakPolarHBondContact O-CD2 3.48Å; V737-F741 PolarHBondContact O-N 2.9Å
738	I	88.3	Confident	86	Confident	43 Å²	43	71.8 Å²	71.8	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-36.1	177.2	-57.5	-54.6	0	0	0	113.3	W646 R736 L740 F741 H742 P749 L754	W646-I738 HydrophobicContact CH2-CD1 3.78Å; W646-I738 HydrophobicContact CH2-CG1 3.97Å; W646-I738 HydrophobicContact CZ2-CG1 4.42Å; W646-I738 HydrophobicContact CZ3-CD1 4.5Å; R736-I738 PolarHBondContact O-N 3.41Å; I738-L740 VanDerWaalsContact C-N 3.27Å; I738-L740 PolarHBondContact O-N 2.81Å; I738-F741 PolarHBondContact O-N 2.74Å; I738-H742 PolarHBondContact O-N 3.08Å; I738-H742 VanDerWaalsContact O-N 3.16Å; I738-P749 VanDerWaalsContact CD1-O 3.28Å; I738-P749 WeakPolarHBondContact CD1-O 3Å; I738-L754 HydrophobicContact CD1-CD1 3.89Å
739	K	86.1	Confident	86.3	Confident	65 Å²	65	68.5 Å²	68.5	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-30.6	173.5	-74.5	-163.4	170.1	-154.5	0	111.4	H730 W731 R736 V737 H742 Y743	H730-K739 PolarHBondContact CE1-NZ 3.21Å; H730-K739 PolarHBondContact NE2-NZ 3.09Å; W731-K739 HydrophobicContact CZ3-CB 4.47Å; R736-K739 HydrophobicContact CB-CB 4.18Å; R736-K739 HydrophobicContact CB-CG 4.11Å; R736-K739 WeakPolarHBondContact O-CA 3.37Å; R736-K739 WeakPolarHBondContact O-CB 3.34Å; R736-K739 PolarHBondContact O-N 2.9Å; V737-K739 VanDerWaalsContact C-N 3.33Å; V737-K739 PolarHBondContact O-N 3.12Å; K739-H742 WeakPolarHBondContact O-CB 3.43Å; K739-H742 PolarHBondContact O-N 3.06Å; K739-Y743 HydrophobicContact CB-CE2 4.19Å; K739-Y743 VanDerWaalsContact O-CD2 3.25Å; K739-Y743 WeakPolarHBondContact O-CD2 3.29Å; K739-Y743 VanDerWaalsContact O-CG 3.27Å; K739-Y743 PolarHBondContact O-N 3.48Å
740	L	85.9	Confident	86.5	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-50.7	175.4	-163.4	63.1	0	0	0	110.9	V717 W723 W731 R736 V737 I738 H742 Y743 L744	V717-L740 HydrophobicContact CB-CD1 4.16Å; V717-L740 HydrophobicContact CG1-CD1 3.65Å; V717-L740 HydrophobicContact CG1-CG 4.21Å; V717-L740 HydrophobicContact CG2-CD2 4.11Å; W723-L740 HydrophobicContact CH2-CD1 3.7Å; W723-L740 HydrophobicContact CZ2-CD1 3.83Å; W731-L740 HydrophobicContact CE3-CD1 4.38Å; W731-L740 HydrophobicContact CH2-CB 3.61Å; W731-L740 HydrophobicContact CH2-CD1 3.91Å; W731-L740 HydrophobicContact CH2-CD2 4.05Å; W731-L740 HydrophobicContact CH2-CG 4.09Å; W731-L740 HydrophobicContact CZ2-CD1 4.21Å; W731-L740 HydrophobicContact CZ2-CD2 4.43Å; W731-L740 HydrophobicContact CZ3-CB 3.6Å; W731-L740 HydrophobicContact CZ3-CD1 3.98Å; W731-L740 HydrophobicContact CZ3-CG 4.32Å; R736-L740 PolarHBondContact O-N 2.97Å; V737-L740 WeakPolarHBondContact O-CA 3.35Å; V737-L740 WeakPolarHBondContact O-CB 3.49Å; V737-L740 PolarHBondContact O-N 2.87Å; I738-L740 VanDerWaalsContact C-N 3.27Å; I738-L740 PolarHBondContact O-N 2.81Å; L740-H742 PolarHBondContact O-N 3.22Å; L740-Y743 PolarHBondContact O-N 3.24Å; L740-Y743 VanDerWaalsContact O-N 3.14Å; L740-L744 HydrophobicContact CG-CD1 4.27Å; L740-L744 WeakPolarHBondContact O-CG 3.26Å; L740-L744 PolarHBondContact O-N 3.24Å
741	F	89.5	Confident	86.5	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-35.8	175	-76.5	-76.3	0	0	0	111.7	Y608 A611 F615 L643 V737 I738 L744 H745 I746 C748	Y608-F741 AromaticContact CE2-CE2 4Å; Y608-F741 HydrophobicContact CE2-CE2 4Å; Y608-F741 HydrophobicContact CE2-CZ 4.15Å; A611-F741 HydrophobicContact CB-CD1 4.34Å; A611-F741 HydrophobicContact CB-CE1 4.15Å; F615-F741 HydrophobicContact CB-CE1 4.05Å; F615-F741 HydrophobicContact CD1-CE1 4.49Å; F615-F741 HydrophobicContact CG-CE1 4.45Å; L643-F741 HydrophobicContact CD1-CZ 4.21Å; V737-F741 HydrophobicContact CG1-CD2 4.02Å; V737-F741 HydrophobicContact CG1-CE2 3.68Å; V737-F741 WeakPolarHBondContact O-CD2 3.48Å; V737-F741 PolarHBondContact O-N 2.9Å; I738-F741 PolarHBondContact O-N 2.74Å; F741-L744 CarbonylContact O-C 3.59Å; F741-L744 PolarHBondContact O-N 3.48Å; F741-H745 PolarHBondContact O-N 3.3Å; F741-I746 CarbonylContact C-O 3.58Å; F741-I746 HydrophobicContact CB-CB 4.41Å; F741-I746 HydrophobicContact CD1-CB 3.95Å; F741-I746 HydrophobicContact CD1-CD1 4.2Å; F741-I746 HydrophobicContact CD1-CG2 3.77Å; F741-I746 HydrophobicContact CE1-CG2 4.43Å; F741-I746 PolarHBondContact O-N 2.99Å; F741-C748 HydrophobicContact CB-CB 3.76Å; F741-C748 HydrophobicContact CD1-CB 4.29Å; F741-C748 HydrophobicContact CD2-CB 4.13Å; F741-C748 HydrophobicContact CG-CB 3.81Å
742	H	87.6	Confident	86.4	Confident	134 Å²	134	67.1 Å²	67.1	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-65.6	-44.2	175.1	-175.2	70.3	0	0	0	112.8	I738 K739 L740 L744 H745	I738-H742 PolarHBondContact O-N 3.08Å; I738-H742 VanDerWaalsContact O-N 3.16Å; K739-H742 WeakPolarHBondContact O-CB 3.43Å; K739-H742 PolarHBondContact O-N 3.06Å; L740-H742 PolarHBondContact O-N 3.22Å; H742-L744 PolarHBondContact O-N 3.34Å; H742-H745 PolarHBondContact O-N 3.12Å
743	Y	86.1	Confident	86.7	Confident	36 Å²	36	69.5 Å²	69.5	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-28.5	175.5	-59.3	-36.9	0	0	0	112.8	W723 Q727 W731 K739 L740 H745	W723-Y743 HydrophobicContact CE3-CD2 4.2Å; W723-Y743 HydrophobicContact CE3-CE2 4.42Å; W723-Y743 AromaticContact CH2-CD2 3.75Å; W723-Y743 HydrophobicContact CH2-CD2 3.75Å; W723-Y743 HydrophobicContact CH2-CE2 4.2Å; W723-Y743 AromaticContact CZ3-CD2 3.36Å; W723-Y743 HydrophobicContact CZ3-CD2 3.36Å; W723-Y743 AromaticContact CZ3-CE2 3.53Å; W723-Y743 HydrophobicContact CZ3-CE2 3.53Å; W723-Y743 HydrophobicContact CZ3-CG 4.35Å; Q727-Y743 HydrophobicContact CB-CE1 4.42Å; Q727-Y743 HydrophobicContact CG-CD1 4.3Å; Q727-Y743 HydrophobicContact CG-CE1 3.85Å; W731-Y743 HydrophobicContact CE3-CE2 4.3Å; K739-Y743 HydrophobicContact CB-CE2 4.19Å; K739-Y743 VanDerWaalsContact O-CD2 3.25Å; K739-Y743 WeakPolarHBondContact O-CD2 3.29Å; K739-Y743 VanDerWaalsContact O-CG 3.27Å; K739-Y743 PolarHBondContact O-N 3.48Å; L740-Y743 PolarHBondContact O-N 3.24Å; L740-Y743 VanDerWaalsContact O-N 3.14Å; Y743-H745 PolarHBondContact O-N 3.32Å
744	L	85.5	Confident	86.9	Confident	18 Å²	18	62.9 Å²	62.9	9%	0.094	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.1	172.1	-71.5	162.2	0	0	0	113.6	F615 L618 V717 I720 V721 L740 F741 H742 I746	F615-L744 HydrophobicContact CD2-CD1 3.49Å; F615-L744 VanDerWaalsContact CD2-CD1 3.49Å; F615-L744 HydrophobicContact CE2-CD1 3.59Å; F615-L744 HydrophobicContact CG-CD1 4.37Å; L618-L744 HydrophobicContact CD1-CB 4.3Å; L618-L744 HydrophobicContact CD1-CD2 3.9Å; V717-L744 HydrophobicContact CG1-CD1 4.39Å; I720-L744 HydrophobicContact CG2-CD2 4.3Å; V721-L744 HydrophobicContact CG2-CD1 4.47Å; V721-L744 HydrophobicContact CG2-CD2 3.26Å; V721-L744 HydrophobicContact CG2-CG 3.58Å; L740-L744 HydrophobicContact CG-CD1 4.27Å; L740-L744 WeakPolarHBondContact O-CG 3.26Å; L740-L744 PolarHBondContact O-N 3.24Å; F741-L744 CarbonylContact O-C 3.59Å; F741-L744 PolarHBondContact O-N 3.48Å; H742-L744 PolarHBondContact O-N 3.34Å; L744-I746 HydrophobicContact CB-CD1 3.93Å; L744-I746 HydrophobicContact CB-CG1 4.04Å; L744-I746 HydrophobicContact CD1-CD1 4.41Å; L744-I746 PolarHBondContact O-N 2.96Å
745	H	87.4	Confident	86.8	Confident	177 Å²	177	62.1 Å²	62.1	82%	0.819	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	27.8	-173.1	-55	-72.4	0	0	0	114.5	F741 H742 Y743	F741-H745 PolarHBondContact O-N 3.3Å; H742-H745 PolarHBondContact O-N 3.12Å; Y743-H745 PolarHBondContact O-N 3.32Å
746	I	90.1	Very high	86.7	Confident	13 Å²	13	61.3 Å²	61.3	7%	0.067	28%	0.279	C	S	.	.			trans	-97.3	123.7	177.3	-61.6	171.7	0	0	0	109.7	A611 K614 F615 L618 F741 L744 C748	A611-I746 HydrophobicContact CB-CG2 3.66Å; K614-I746 HydrophobicContact CB-CD1 4.13Å; K614-I746 HydrophobicContact CB-CG1 4.27Å; K614-I746 HydrophobicContact CB-CG2 4.34Å; F615-I746 HydrophobicContact CB-CD1 3.66Å; L618-I746 HydrophobicContact CD1-CD1 3.87Å; L618-I746 HydrophobicContact CD1-CG1 4.33Å; F741-I746 CarbonylContact C-O 3.58Å; F741-I746 HydrophobicContact CB-CB 4.41Å; F741-I746 HydrophobicContact CD1-CB 3.95Å; F741-I746 HydrophobicContact CD1-CD1 4.2Å; F741-I746 HydrophobicContact CD1-CG2 3.77Å; F741-I746 HydrophobicContact CE1-CG2 4.43Å; F741-I746 PolarHBondContact O-N 2.99Å; L744-I746 HydrophobicContact CB-CD1 3.93Å; L744-I746 HydrophobicContact CB-CG1 4.04Å; L744-I746 HydrophobicContact CD1-CD1 4.41Å; L744-I746 PolarHBondContact O-N 2.96Å; I746-C748 PolarHBondContact O-N 2.99Å
747	K	90.3	Very high	86.6	Confident	199 Å²	199	54.2 Å²	54.2	87%	0.865	25%	0.252	S	S	*	.			trans	-69.6	112	171.7	-67.5	-175.6	-179	177.9	0	109.9
748	C	91.4	Very high	86.3	Confident	30 Å²	30	54.4 Å²	54.4	20%	0.203	25%	0.254	C	S	.	.			trans	-121.5	145	177.6	178.6	0	0	0	0	110.6	A611 F741 I746	A611-C748 HydrophobicContact CB-CB 4.16Å; F741-C748 HydrophobicContact CB-CB 3.76Å; F741-C748 HydrophobicContact CD1-CB 4.29Å; F741-C748 HydrophobicContact CD2-CB 4.13Å; F741-C748 HydrophobicContact CG-CB 3.81Å; I746-C748 PolarHBondContact O-N 2.99Å
749	P	89.6	Confident	85.8	Confident	17 Å²	17	52.6 Å²	52.6	11%	0.11	24%	0.244	C	C	.	.			trans	-55.8	149.2	170.3	-23.2	33	0	0	0	112.3	T604 K607 I738 L754	T604-P749 HydrophobicContact CG2-CB 4.12Å; T604-P749 HydrophobicContact CG2-CG 4.42Å; K607-P749 HydrophobicContact CB-CG 3.73Å; I738-P749 VanDerWaalsContact CD1-O 3.28Å; I738-P749 WeakPolarHBondContact CD1-O 3Å; P749-L754 HydrophobicContact CB-CD2 3.94Å; P749-L754 HydrophobicContact CB-CG 4.08Å; P749-L754 HydrophobicContact CG-CD2 4.23Å
750	S	87.6	Confident	85.6	Confident	55 Å²	55	49.6 Å²	49.6	39%	0.385	23%	0.231	S	C	.	.			trans	-65.9	152.2	179.4	72.8	0	0	0	0	111.8	K752 R753 L754	S750-K752 PolarHBondContact O-N 3.38Å; S750-K752 VanDerWaalsContact O-N 3.11Å; S750-R753 PolarHBondContact O-N 3.4Å; S750-R753 PolarHBondContact OG-N 2.71Å; S750-L754 PolarHBondContact O-N 3.09Å
751	S	84.5	Confident	85.4	Confident	31 Å²	31	49.5 Å²	49.5	22%	0.217	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-29.6	176.3	174.3	0	0	0	0	112.6	R755	S751-R755 WeakPolarHBondContact O-CB 3.38Å; S751-R755 VanDerWaalsContact O-CG 3.26Å; S751-R755 WeakPolarHBondContact O-CG 3.23Å; S751-R755 PolarHBondContact O-N 3.07Å; S751-R755 PolarHBondContact O-NE 2.94Å
752	K	82.6	Confident	84.7	Confident	73 Å²	73	50.3 Å²	50.3	32%	0.317	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-50	173	-174.4	-179.2	173.7	-171.1	0	111.4	S750 R755 Q756 E834	S750-K752 PolarHBondContact O-N 3.38Å; S750-K752 VanDerWaalsContact O-N 3.11Å; K752-R755 PolarHBondContact O-N 3.46Å; K752-Q756 WeakPolarHBondContact O-CG 3.2Å; K752-Q756 PolarHBondContact O-N 3.2Å; K752-E834 WeakPolarHBondContact CE-OE2 3.39Å; K752-E834 IonicContact NZ-OE1 3.13Å; K752-E834 PolarHBondContact NZ-OE1 3.21Å; K752-E834 IonicContact NZ-OE2 3.66Å; K752-E834 PolarHBondContact NZ-OE2 3.41Å
753	R	86.1	Confident	84.3	Confident	156 Å²	156	44.6 Å²	44.6	59%	0.589	21%	0.206	S	C	*	.	H	α-helix	trans	-64.4	-42.5	179	-74.4	-173.6	175.2	177	-1.1	112.3	T604 S750 Q756 A757	T604-R753 HydrophobicContact CG2-CB 4.03Å; S750-R753 PolarHBondContact O-N 3.4Å; S750-R753 PolarHBondContact OG-N 2.71Å; R753-Q756 PolarHBondContact O-N 2.68Å; R753-A757 WeakPolarHBondContact O-CB 3.29Å; R753-A757 PolarHBondContact O-N 3.03Å
754	L	86.8	Confident	84	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-43.4	176.1	-67.5	177.8	0	0	0	111.7	T604 L605 Y608 W646 L647 I738 P749 S750 Q756 A757 S758	T604-L754 HydrophobicContact CG2-CD2 4.25Å; L605-L754 HydrophobicContact CD2-CD2 4.14Å; Y608-L754 HydrophobicContact CD2-CD1 3.98Å; Y608-L754 HydrophobicContact CD2-CD2 4.23Å; Y608-L754 HydrophobicContact CE2-CD1 4.12Å; Y608-L754 HydrophobicContact CG-CD1 4.46Å; Y608-L754 HydrophobicContact CG-CD2 3.96Å; W646-L754 HydrophobicContact CH2-CD1 4.13Å; W646-L754 HydrophobicContact CZ3-CD1 3.89Å; L647-L754 HydrophobicContact CD1-CB 3.93Å; I738-L754 HydrophobicContact CD1-CD1 3.89Å; P749-L754 HydrophobicContact CB-CD2 3.94Å; P749-L754 HydrophobicContact CB-CG 4.08Å; P749-L754 HydrophobicContact CG-CD2 4.23Å; S750-L754 PolarHBondContact O-N 3.09Å; L754-Q756 PolarHBondContact O-N 3.19Å; L754-A757 PolarHBondContact O-N 3.19Å; L754-S758 WeakPolarHBondContact O-CB 3.2Å; L754-S758 PolarHBondContact O-N 3.48Å; L754-S758 PolarHBondContact O-OG 2.82Å
755	R	81.6	Confident	83.5	Confident	72 Å²	72	42.1 Å²	42.1	27%	0.272	20%	0.196	S	C	.	.	H	α-helix	trans	-57.8	-48.1	174.1	-82.8	-177.5	-58.6	-172.9	14.2	112.7	L650 S751 K752 F759	L650-R755 HydrophobicContact CB-CG 3.67Å; L650-R755 HydrophobicContact CD1-CG 4.11Å; L650-R755 HydrophobicContact CD2-CG 4.22Å; L650-R755 HydrophobicContact CG-CG 4.24Å; S751-R755 WeakPolarHBondContact O-CB 3.38Å; S751-R755 VanDerWaalsContact O-CG 3.26Å; S751-R755 WeakPolarHBondContact O-CG 3.23Å; S751-R755 PolarHBondContact O-N 3.07Å; S751-R755 PolarHBondContact O-NE 2.94Å; K752-R755 PolarHBondContact O-N 3.46Å; R755-F759 VanDerWaalsContact O-CB 3.25Å; R755-F759 WeakPolarHBondContact O-CB 2.99Å; R755-F759 PolarHBondContact O-N 3.44Å
756	Q	79.5	Confident	82.3	Confident	13 Å²	13	37 Å²	37	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-47.7	179.4	-73	170.3	-38.9	0	0	111.6	K752 R753 L754 F759 I760 E834	K752-Q756 WeakPolarHBondContact O-CG 3.2Å; K752-Q756 PolarHBondContact O-N 3.2Å; R753-Q756 PolarHBondContact O-N 2.68Å; L754-Q756 PolarHBondContact O-N 3.19Å; Q756-F759 PolarHBondContact O-N 2.82Å; Q756-I760 WeakPolarHBondContact O-CG1 3.49Å; Q756-I760 PolarHBondContact O-N 2.87Å; Q756-E834 PolarHBondContact NE2-O 3.49Å; Q756-E834 VanDerWaalsContact NE2-O 3.16Å; Q756-E834 PolarHBondContact NE2-OE2 3Å
757	A	84.9	Confident	80.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-47.4	178.9	0	0	0	0	0	111.7	T604 L605 R753 L754 F759 I760 L761	T604-A757 HydrophobicContact CG2-CB 3.96Å; L605-A757 HydrophobicContact CG-CB 4.48Å; R753-A757 WeakPolarHBondContact O-CB 3.29Å; R753-A757 PolarHBondContact O-N 3.03Å; L754-A757 PolarHBondContact O-N 3.19Å; A757-F759 VanDerWaalsContact C-N 3.35Å; A757-F759 PolarHBondContact O-N 3.1Å; A757-I760 PolarHBondContact O-N 2.82Å; A757-L761 WeakPolarHBondContact O-CB 3.48Å; A757-L761 VanDerWaalsContact O-CG 3.3Å; A757-L761 WeakPolarHBondContact O-CG 3.42Å; A757-L761 PolarHBondContact O-N 2.88Å
758	S	80.8	Confident	79.1	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-41.1	177.5	-62.7	0	0	0	0	112.5	L647 L754 R762	L647-S758 WeakPolarHBondContact CD1-OG 3.46Å; L647-S758 WeakPolarHBondContact CD2-OG 3.44Å; L647-S758 WeakPolarHBondContact CG-OG 3.3Å; L754-S758 WeakPolarHBondContact O-CB 3.2Å; L754-S758 PolarHBondContact O-N 3.48Å; L754-S758 PolarHBondContact O-OG 2.82Å; S758-R762 WeakPolarHBondContact O-CB 3.46Å; S758-R762 PolarHBondContact O-N 3.24Å
759	F	78.6	Confident	77.3	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-48.2	176.5	175.5	-102.3	0	0	0	111.5	D651 R655 R755 Q756 A757 R763 W821	D651-F759 WeakPolarHBondContact OD1-CA 3.48Å; D651-F759 WeakPolarHBondContact OD1-CB 3.2Å; R655-F759 HydrophobicContact CG-CD2 4.03Å; R655-F759 HydrophobicContact CG-CE2 4.02Å; R755-F759 VanDerWaalsContact O-CB 3.25Å; R755-F759 WeakPolarHBondContact O-CB 2.99Å; R755-F759 PolarHBondContact O-N 3.44Å; Q756-F759 PolarHBondContact O-N 2.82Å; A757-F759 VanDerWaalsContact C-N 3.35Å; A757-F759 PolarHBondContact O-N 3.1Å; F759-R763 VanDerWaalsContact O-CB 3.27Å; F759-R763 WeakPolarHBondContact O-CB 3.45Å; F759-R763 PolarHBondContact O-N 2.94Å; F759-R763 VanDerWaalsContact O-N 3.07Å; F759-W821 HydrophobicContact CE1-CZ3 4.49Å; F759-W821 HydrophobicContact CE2-CH2 4.49Å; F759-W821 AromaticContact CZ-CH2 3.71Å; F759-W821 HydrophobicContact CZ-CH2 3.71Å; F759-W821 HydrophobicContact CZ-CZ3 4.01Å
760	I	81	Confident	75.2	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-50.4	178.6	-72.5	168.5	0	0	0	111.1	E597 S601 Q756 A757 R762 R763 Y764 I837	E597-I760 HydrophobicContact CB-CD1 4.41Å; E597-I760 HydrophobicContact CB-CG2 4.13Å; S601-I760 WeakPolarHBondContact OG-CB 3.39Å; S601-I760 VanDerWaalsContact OG-CG2 3.32Å; S601-I760 WeakPolarHBondContact OG-CG2 3.46Å; Q756-I760 WeakPolarHBondContact O-CG1 3.49Å; Q756-I760 PolarHBondContact O-N 2.87Å; A757-I760 PolarHBondContact O-N 2.82Å; I760-R762 PolarHBondContact O-N 3.25Å; I760-R763 WeakPolarHBondContact O-CB 3.41Å; I760-R763 PolarHBondContact O-N 2.95Å; I760-Y764 HydrophobicContact CG2-CD2 3.63Å; I760-Y764 HydrophobicContact CG2-CE2 3.6Å; I760-Y764 PolarHBondContact O-N 2.99Å; I760-I837 HydrophobicContact CD1-CB 4.38Å; I760-I837 HydrophobicContact CD1-CD1 3.55Å; I760-I837 HydrophobicContact CD1-CG1 3.59Å
761	L	81.7	Confident	73.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-43.6	-176.7	-71.6	167.3	0	0	0	111.6	L598 L602 L605 A757 R763 Y764 L765 F781	L598-L761 HydrophobicContact CD2-CD2 3.92Å; L602-L761 HydrophobicContact CD2-CD1 4.08Å; L602-L761 HydrophobicContact CD2-CD2 3.67Å; L602-L761 HydrophobicContact CG-CD2 3.78Å; L605-L761 HydrophobicContact CD1-CD1 3.21Å; L605-L761 HydrophobicContact CG-CD1 3.95Å; A757-L761 WeakPolarHBondContact O-CB 3.48Å; A757-L761 VanDerWaalsContact O-CG 3.3Å; A757-L761 WeakPolarHBondContact O-CG 3.42Å; A757-L761 PolarHBondContact O-N 2.88Å; L761-R763 VanDerWaalsContact C-N 3.29Å; L761-R763 PolarHBondContact O-N 2.73Å; L761-Y764 PolarHBondContact O-N 2.88Å; L761-L765 HydrophobicContact CB-CD1 4.33Å; L761-L765 HydrophobicContact CD2-CD1 3.77Å; L761-L765 HydrophobicContact CD2-CG 4.49Å; L761-L765 WeakPolarHBondContact O-CA 3.4Å; L761-L765 WeakPolarHBondContact O-CB 3.24Å; L761-L765 WeakPolarHBondContact O-CG 3.07Å; L761-L765 PolarHBondContact O-N 3.27Å; L761-F781 HydrophobicContact CB-CD1 3.76Å; L761-F781 HydrophobicContact CB-CD2 4.15Å; L761-F781 HydrophobicContact CB-CE1 3.59Å; L761-F781 HydrophobicContact CB-CE2 4.03Å; L761-F781 HydrophobicContact CB-CG 4.01Å; L761-F781 HydrophobicContact CB-CZ 3.75Å; L761-F781 HydrophobicContact CD1-CB 4.25Å; L761-F781 HydrophobicContact CD1-CD2 4.03Å; L761-F781 HydrophobicContact CD1-CG 4.06Å
762	R	76.1	Confident	71.3	Confident	22 Å²	22	33.2 Å²	33.2	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-39.2	175.4	-177.4	-170.2	-175.8	133.5	13.5	112.6	D651 R655 S682 S758 I760 F781	D651-R762 WeakPolarHBondContact OD2-CD 3.41Å; D651-R762 IonicContact OD2-CZ 2.91Å; D651-R762 IonicContact OD2-NE 3.39Å; D651-R762 IonicContact OD2-NH1 3.94Å; D651-R762 PolarHBondContact OD2-NH1 3.37Å; R655-R762 VanDerWaalsContact CZ-NH1 3.28Å; S682-R762 VanDerWaalsContact C-NH2 3.32Å; S682-R762 VanDerWaalsContact CA-NH2 3.34Å; S682-R762 PolarHBondContact OG-NE 2.87Å; S682-R762 PolarHBondContact OG-NH2 3.49Å; S758-R762 WeakPolarHBondContact O-CB 3.46Å; S758-R762 PolarHBondContact O-N 3.24Å; I760-R762 PolarHBondContact O-N 3.25Å; R762-F781 HydrophobicContact CB-CZ 4.05Å
763	R	77.4	Confident	69.1	Low	13 Å²	13	34.1 Å²	34.1	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-50.4	-178.7	-175	-179.7	-172.4	-154.1	6.4	110.5	S678 F759 I760 L761 R809 M813 E817	S678-R763 PolarHBondContact OG-NE 3.28Å; S678-R763 PolarHBondContact OG-NH2 2.98Å; F759-R763 VanDerWaalsContact O-CB 3.27Å; F759-R763 WeakPolarHBondContact O-CB 3.45Å; F759-R763 PolarHBondContact O-N 2.94Å; F759-R763 VanDerWaalsContact O-N 3.07Å; I760-R763 WeakPolarHBondContact O-CB 3.41Å; I760-R763 PolarHBondContact O-N 2.95Å; L761-R763 VanDerWaalsContact C-N 3.29Å; L761-R763 PolarHBondContact O-N 2.73Å; R763-R809 PolarHBondContact O-NH1 2.64Å; R763-R809 VanDerWaalsContact O-NH1 3.1Å; R763-M813 HydrophobicContact CG-SD 3.79Å; R763-M813 VanDerWaalsContact NH2-C 3.31Å; R763-M813 PolarHBondContact NH2-O 3.5Å; R763-M813 WeakPolarHBondContact O-CE 3.41Å; R763-E817 IonicContact CZ-OE2 3.61Å; R763-E817 IonicContact NH1-OE2 3.59Å; R763-E817 PolarHBondContact NH1-OE2 3.07Å
764	Y	80.7	Confident	66.7	Low	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-83.4	-31.3	-173.9	-61.1	-24.3	0	0	0	113.1	V594 E597 L598 I760 L761 R809 A810 M813 K814	V594-Y764 HydrophobicContact CG1-CD2 4.3Å; V594-Y764 HydrophobicContact CG1-CE2 4.27Å; E597-Y764 HydrophobicContact CB-CE2 4.25Å; E597-Y764 WeakPolarHBondContact OE2-CE2 3.25Å; E597-Y764 PolarHBondContact OE2-OH 3.19Å; L598-Y764 HydrophobicContact CD1-CD2 4.34Å; L598-Y764 HydrophobicContact CD2-CD2 3.75Å; L598-Y764 HydrophobicContact CD2-CG 4.25Å; L598-Y764 HydrophobicContact CG-CD2 3.74Å; L598-Y764 HydrophobicContact CG-CG 4.5Å; I760-Y764 HydrophobicContact CG2-CD2 3.63Å; I760-Y764 HydrophobicContact CG2-CE2 3.6Å; I760-Y764 PolarHBondContact O-N 2.99Å; L761-Y764 PolarHBondContact O-N 2.88Å; Y764-R809 PolarHBondContact O-NH1 3.03Å; Y764-A810 HydrophobicContact CD1-CB 3.49Å; Y764-A810 VanDerWaalsContact CD1-CB 3.49Å; Y764-A810 HydrophobicContact CD2-CB 4.44Å; Y764-A810 HydrophobicContact CE1-CB 4.13Å; Y764-A810 HydrophobicContact CG-CB 3.68Å; Y764-M813 HydrophobicContact CD1-CB 4.47Å; Y764-M813 HydrophobicContact CD1-SD 4.12Å; Y764-M813 HydrophobicContact CE1-CB 4.17Å; Y764-K814 WeakPolarHBondContact OH-CD 3.27Å
765	L	75.8	Confident	64.4	Low	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	-100.3	115.7	177.7	-51.5	177.6	0	0	0	110	L598 L761 N767 F779 F781 L787 L806	L598-L765 HydrophobicContact CD2-CD2 4.34Å; L598-L765 HydrophobicContact CD2-CG 4.33Å; L761-L765 HydrophobicContact CB-CD1 4.33Å; L761-L765 HydrophobicContact CD2-CD1 3.77Å; L761-L765 HydrophobicContact CD2-CG 4.49Å; L761-L765 WeakPolarHBondContact O-CA 3.4Å; L761-L765 WeakPolarHBondContact O-CB 3.24Å; L761-L765 WeakPolarHBondContact O-CG 3.07Å; L761-L765 PolarHBondContact O-N 3.27Å; L765-N767 VanDerWaalsContact C-N 3.26Å; L765-N767 PolarHBondContact O-N 2.78Å; L765-N767 VanDerWaalsContact O-N 3.15Å; L765-F779 HydrophobicContact CD2-CD1 4.04Å; L765-F779 HydrophobicContact CD2-CE1 4.47Å; L765-F781 HydrophobicContact CD1-CD1 3.96Å; L765-L787 HydrophobicContact CD1-CD2 3.53Å; L765-L806 HydrophobicContact CD2-CD1 3.75Å; L765-L806 HydrophobicContact CD2-CD2 4.06Å; L765-L806 HydrophobicContact CD2-CG 4.38Å
766	P	61.2	Low	62.6	Low	69 Å²	69	44.4 Å²	44.4	45%	0.448	23%	0.232	S	C	.	.	S	Bend	trans	-67.8	-17.2	-169.8	24.7	-33.6	0	0	0	115.3
767	N	58.9	Low	61.3	Low	68 Å²	68	46.2 Å²	46.2	36%	0.364	24%	0.242	S	C	.	.			trans	-120.6	56.5	-161.3	-66.1	0.9	0	0	0	114.3	L765 N777	L765-N767 VanDerWaalsContact C-N 3.26Å; L765-N767 PolarHBondContact O-N 2.78Å; L765-N767 VanDerWaalsContact O-N 3.15Å; N767-N777 PolarHBondContact ND2-OD1 2.8Å
768	Y	53.5	Low	59.9	Low	7 Å²	7	51.6 Å²	51.6	3%	0.027	27%	0.271	C	S	.	.			trans	-106.3	105.3	168.4	-172.7	-110.4	0	0	0	112.2	M648 S682 H780 F781	M648-Y768 HydrophobicContact CE-CD1 3.94Å; M648-Y768 HydrophobicContact CE-CE1 4Å; M648-Y768 HydrophobicContact CG-CD1 4.31Å; M648-Y768 HydrophobicContact CG-CE1 3.5Å; M648-Y768 VanDerWaalsContact CG-CE1 3.5Å; M648-Y768 HydrophobicContact SD-CE1 4.32Å; S682-Y768 WeakPolarHBondContact CB-O 3.49Å; S682-Y768 PolarHBondContact OG-O 3.05Å; Y768-H780 AromaticContact CD2-CD2 3.95Å; Y768-H780 AromaticContact CD2-NE2 3.92Å; Y768-H780 AromaticContact CE2-CD2 3.99Å; Y768-H780 AromaticContact CE2-CE1 3.73Å; Y768-H780 AromaticContact CE2-NE2 3.5Å; Y768-H780 WeakPolarHBondContact CE2-NE2 3.28Å; Y768-F781 HydrophobicContact CD1-CE1 4.23Å; Y768-F781 AromaticContact CD1-CE2 3.87Å; Y768-F781 HydrophobicContact CD1-CE2 3.87Å; Y768-F781 AromaticContact CD1-CZ 3.55Å; Y768-F781 HydrophobicContact CD1-CZ 3.55Å; Y768-F781 AromaticContact CD2-CD1 3.89Å; Y768-F781 HydrophobicContact CD2-CD1 3.89Å; Y768-F781 AromaticContact CD2-CD2 3.88Å; Y768-F781 HydrophobicContact CD2-CD2 3.88Å; Y768-F781 AromaticContact CD2-CE1 3.76Å; Y768-F781 HydrophobicContact CD2-CE1 3.76Å; Y768-F781 AromaticContact CD2-CE2 3.73Å; Y768-F781 HydrophobicContact CD2-CE2 3.73Å; Y768-F781 AromaticContact CD2-CG 3.98Å; Y768-F781 HydrophobicContact CD2-CG 3.98Å; Y768-F781 AromaticContact CD2-CZ 3.67Å; Y768-F781 HydrophobicContact CD2-CZ 3.67Å; Y768-F781 AromaticContact CE1-CE2 3.98Å; Y768-F781 HydrophobicContact CE1-CE2 3.98Å; Y768-F781 HydrophobicContact CE1-CZ 4.14Å; Y768-F781 AromaticContact CE2-CD2 3.93Å; Y768-F781 HydrophobicContact CE2-CD2 3.93Å; Y768-F781 AromaticContact CE2-CE2 3.87Å; Y768-F781 HydrophobicContact CE2-CE2 3.87Å; Y768-F781 HydrophobicContact CE2-CG 4.36Å; Y768-F781 HydrophobicContact CE2-CZ 4.27Å; Y768-F781 HydrophobicContact CG-CD1 4.11Å; Y768-F781 HydrophobicContact CG-CD2 4.34Å; Y768-F781 AromaticContact CG-CE1 3.5Å; Y768-F781 HydrophobicContact CG-CE1 3.5Å; Y768-F781 AromaticContact CG-CE2 3.74Å; Y768-F781 HydrophobicContact CG-CE2 3.74Å; Y768-F781 AromaticContact CG-CZ 3.27Å; Y768-F781 HydrophobicContact CG-CZ 3.27Å; Y768-F781 AromaticContact CZ-CE2 4Å
769	S	53.5	Low	58.9	Low	27 Å²	27	53.2 Å²	53.2	19%	0.189	28%	0.278	C	S	.	.			trans	-140.3	118.6	164.4	177.6	0	0	0	0	108.7	E771	S769-E771 VanDerWaalsContact C-N 3.28Å; S769-E771 PolarHBondContact OG-N 3.3Å
770	P	47.4	Very low	58.3	Low	8 Å²	8	53.8 Å²	53.8	5%	0.052	28%	0.28	C	S	.	.	S	Bend	trans	-73.4	-23.4	175.2	30.9	-34.3	0	0	0	112	D644 M648 V772 I773	D644-P770 HydrophobicContact CB-CB 4.23Å; M648-P770 HydrophobicContact CE-CG 4.13Å; M648-P770 HydrophobicContact CG-CG 4.16Å; M648-P770 WeakPolarHBondContact SD-CD 3.46Å; M648-P770 HydrophobicContact SD-CG 3.22Å; M648-P770 WeakPolarHBondContact SD-CG 3.28Å; P770-V772 VanDerWaalsContact C-N 3.25Å; P770-V772 PolarHBondContact O-N 2.86Å; P770-I773 WeakPolarHBondContact O-CG1 3.5Å
771	E	47.2	Very low	57.6	Low	93 Å²	93	53.7 Å²	53.7	44%	0.435	28%	0.28	S	S	.	.	S	Bend	trans	-72	-23.5	-178.4	-62.4	175.9	168.6	0	0	112.2	N686 S769	N686-E771 PolarHBondContact ND2-OE2 3.36Å; S769-E771 VanDerWaalsContact C-N 3.28Å; S769-E771 PolarHBondContact OG-N 3.3Å
772	V	42.8	Very low	57.3	Low	64 Å²	64	53.8 Å²	53.8	39%	0.388	28%	0.281	S	S	.	.			trans	-115.4	74	179.5	-169.1	0	0	0	0	108.3	P770 H774	P770-V772 VanDerWaalsContact C-N 3.25Å; P770-V772 PolarHBondContact O-N 2.86Å; V772-H774 WeakPolarHBondContact CG1-CD2 3.49Å; V772-H774 VanDerWaalsContact CG1-NE2 3.29Å; V772-H774 WeakPolarHBondContact CG1-NE2 3.48Å; V772-H774 PolarHBondContact O-N 3.03Å
773	I	35.1	Very low	57.4	Low	92 Å²	92	53.6 Å²	53.6	47%	0.472	28%	0.281	S	S	.	.			trans	-70.5	72.6	164.2	-48.3	176.1	0	0	0	107.1	P770 P775 M784	P770-I773 WeakPolarHBondContact O-CG1 3.5Å; I773-P775 VanDerWaalsContact O-CD 3.29Å; I773-P775 WeakPolarHBondContact O-CD 3.31Å; I773-M784 HydrophobicContact CD1-CB 4.45Å; I773-M784 HydrophobicContact CD1-CE 4.2Å; I773-M784 HydrophobicContact CD1-CG 4.35Å
774	H	35.5	Very low	57.1	Low	125 Å²	125	55.8 Å²	55.8	58%	0.579	29%	0.293	S	S	*	.			trans	-72	119.1	156.8	-75.2	-37.4	0	0	0	106.1	V772 K776 N777	V772-H774 WeakPolarHBondContact CG1-CD2 3.49Å; V772-H774 VanDerWaalsContact CG1-NE2 3.29Å; V772-H774 WeakPolarHBondContact CG1-NE2 3.48Å; V772-H774 PolarHBondContact O-N 3.03Å; H774-K776 PolarHBondContact O-N 2.98Å; H774-N777 PolarHBondContact O-N 3.16Å
775	P	40.4	Very low	56.6	Low	128 Å²	128	56.3 Å²	56.3	83%	0.831	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-6.7	-179.8	20.4	-31.4	0	0	0	113.8	I773	I773-P775 VanDerWaalsContact O-CD 3.29Å; I773-P775 WeakPolarHBondContact O-CD 3.31Å
776	K	43.3	Very low	56.2	Low	190 Å²	190	60.2 Å²	60.2	83%	0.826	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	0.1	177.4	-67	-173.8	176.4	-178.2	0	115.2	H774 N778	H774-K776 PolarHBondContact O-N 2.98Å; K776-N778 PolarHBondContact O-N 2.96Å; K776-N778 VanDerWaalsContact O-N 3.15Å
777	N	51	Low	56.8	Low	52 Å²	52	57.1 Å²	57.1	28%	0.278	31%	0.306	S	S	.	.			trans	-86.9	86.9	-176.9	-124.3	-10.8	0	0	0	111.3	N767 H774 F779 H780	N767-N777 PolarHBondContact ND2-OD1 2.8Å; H774-N777 PolarHBondContact O-N 3.16Å; N777-F779 PolarHBondContact O-N 2.83Å; N777-H780 PolarHBondContact O-N 3.42Å
778	N	55.5	Low	57.8	Low	113 Å²	113	58 Å²	58	60%	0.604	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-10.7	-176.9	-67	-6.3	0	0	0	115.6	K776	K776-N778 PolarHBondContact O-N 2.96Å; K776-N778 VanDerWaalsContact O-N 3.15Å
779	F	60.2	Low	59.3	Low	38 Å²	38	58.5 Å²	58.5	17%	0.167	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	12.4	-176.8	-64.1	-73.4	0	0	0	114.3	L765 N777 F781 L787 F795 L806	L765-F779 HydrophobicContact CD2-CD1 4.04Å; L765-F779 HydrophobicContact CD2-CE1 4.47Å; N777-F779 PolarHBondContact O-N 2.83Å; F779-F781 PolarHBondContact O-N 3.35Å; F779-F781 VanDerWaalsContact O-N 3.15Å; F779-L787 HydrophobicContact CD1-CD1 4.44Å; F779-L787 HydrophobicContact CD1-CD2 4.14Å; F779-F795 HydrophobicContact CE1-CD1 4.41Å; F779-F795 HydrophobicContact CE1-CE1 4.19Å; F779-F795 HydrophobicContact CE1-CZ 4.33Å; F779-F795 HydrophobicContact CZ-CD2 4.41Å; F779-F795 HydrophobicContact CZ-CE1 4.07Å; F779-F795 AromaticContact CZ-CE2 3.93Å; F779-F795 HydrophobicContact CZ-CE2 3.93Å; F779-F795 AromaticContact CZ-CZ 3.74Å; F779-F795 HydrophobicContact CZ-CZ 3.74Å; F779-L806 HydrophobicContact CE1-CD1 4.02Å; F779-L806 HydrophobicContact CZ-CD1 4.13Å
780	H	65.4	Low	60.7	Low	15 Å²	15	63.3 Å²	63.3	7%	0.069	33%	0.331	C	S	.	.			trans	-64.7	117.1	169	-164.8	-87.5	0	0	0	108.9	D644 Y768 N777 G785 L787	D644-H780 IonicContact OD2-CE1 3.84Å; Y768-H780 AromaticContact CD2-CD2 3.95Å; Y768-H780 AromaticContact CD2-NE2 3.92Å; Y768-H780 AromaticContact CE2-CD2 3.99Å; Y768-H780 AromaticContact CE2-CE1 3.73Å; Y768-H780 AromaticContact CE2-NE2 3.5Å; Y768-H780 WeakPolarHBondContact CE2-NE2 3.28Å; N777-H780 PolarHBondContact O-N 3.42Å; H780-G785 WeakPolarHBondContact ND1-CA 3.24Å; H780-G785 PolarHBondContact ND1-N 2.92Å; H780-G785 CarbonylContact O-C 3.54Å; H780-G785 WeakPolarHBondContact O-CA 3.37Å; H780-L787 WeakPolarHBondContact O-CB 3.21Å; H780-L787 PolarHBondContact O-N 3.35Å
781	F	67.5	Low	62.2	Low	1 Å²	1	66.2 Å²	66.2	0%	0.004	35%	0.348	C	S	.	.			trans	-105.6	-3.1	-175.8	58.3	-107.5	0	0	0	114.1	L605 R609 L761 R762 L765 Y768 F779 L787	L605-F781 HydrophobicContact CD1-CB 4Å; L605-F781 HydrophobicContact CD1-CD2 3.4Å; L605-F781 VanDerWaalsContact CD1-CD2 3.4Å; L605-F781 HydrophobicContact CD1-CE2 4.24Å; L605-F781 HydrophobicContact CD1-CG 4.07Å; L605-F781 VanDerWaalsContact CD1-O 3.27Å; L605-F781 WeakPolarHBondContact CD1-O 2.96Å; R609-F781 PolarHBondContact NH2-O 2.91Å; L761-F781 HydrophobicContact CB-CD1 3.76Å; L761-F781 HydrophobicContact CB-CD2 4.15Å; L761-F781 HydrophobicContact CB-CE1 3.59Å; L761-F781 HydrophobicContact CB-CE2 4.03Å; L761-F781 HydrophobicContact CB-CG 4.01Å; L761-F781 HydrophobicContact CB-CZ 3.75Å; L761-F781 HydrophobicContact CD1-CB 4.25Å; L761-F781 HydrophobicContact CD1-CD2 4.03Å; L761-F781 HydrophobicContact CD1-CG 4.06Å; R762-F781 HydrophobicContact CB-CZ 4.05Å; L765-F781 HydrophobicContact CD1-CD1 3.96Å; Y768-F781 HydrophobicContact CD1-CE1 4.23Å; Y768-F781 AromaticContact CD1-CE2 3.87Å; Y768-F781 HydrophobicContact CD1-CE2 3.87Å; Y768-F781 AromaticContact CD1-CZ 3.55Å; Y768-F781 HydrophobicContact CD1-CZ 3.55Å; Y768-F781 AromaticContact CD2-CD1 3.89Å; Y768-F781 HydrophobicContact CD2-CD1 3.89Å; Y768-F781 AromaticContact CD2-CD2 3.88Å; Y768-F781 HydrophobicContact CD2-CD2 3.88Å; Y768-F781 AromaticContact CD2-CE1 3.76Å; Y768-F781 HydrophobicContact CD2-CE1 3.76Å; Y768-F781 AromaticContact CD2-CE2 3.73Å; Y768-F781 HydrophobicContact CD2-CE2 3.73Å; Y768-F781 AromaticContact CD2-CG 3.98Å; Y768-F781 HydrophobicContact CD2-CG 3.98Å; Y768-F781 AromaticContact CD2-CZ 3.67Å; Y768-F781 HydrophobicContact CD2-CZ 3.67Å; Y768-F781 AromaticContact CE1-CE2 3.98Å; Y768-F781 HydrophobicContact CE1-CE2 3.98Å; Y768-F781 HydrophobicContact CE1-CZ 4.14Å; Y768-F781 AromaticContact CE2-CD2 3.93Å; Y768-F781 HydrophobicContact CE2-CD2 3.93Å; Y768-F781 AromaticContact CE2-CE2 3.87Å; Y768-F781 HydrophobicContact CE2-CE2 3.87Å; Y768-F781 HydrophobicContact CE2-CG 4.36Å; Y768-F781 HydrophobicContact CE2-CZ 4.27Å; Y768-F781 HydrophobicContact CG-CD1 4.11Å; Y768-F781 HydrophobicContact CG-CD2 4.34Å; Y768-F781 AromaticContact CG-CE1 3.5Å; Y768-F781 HydrophobicContact CG-CE1 3.5Å; Y768-F781 AromaticContact CG-CE2 3.74Å; Y768-F781 HydrophobicContact CG-CE2 3.74Å; Y768-F781 AromaticContact CG-CZ 3.27Å; Y768-F781 HydrophobicContact CG-CZ 3.27Å; Y768-F781 AromaticContact CZ-CE2 4Å; F779-F781 PolarHBondContact O-N 3.35Å; F779-F781 VanDerWaalsContact O-N 3.15Å; F781-L787 HydrophobicContact CB-CD2 4.43Å
782	G	76	Confident	63.9	Low	2 Å²	2	61.9 Å²	61.9	2%	0.021	33%	0.328	C	S	.	.	S	Bend	trans	-65.1	-171.5	174.6	0	0	0	0	0	113.3	R609 D644 M784 G785	R609-G782 PolarHBondContact NE-O 3.38Å; R609-G782 VanDerWaalsContact NE-O 3.11Å; R609-G782 PolarHBondContact NH2-O 2.88Å; D644-G782 WeakPolarHBondContact OD1-CA 3.34Å; G782-M784 VanDerWaalsContact C-N 3.27Å; G782-G785 PolarHBondContact O-N 2.77Å; G782-G785 VanDerWaalsContact O-N 3.08Å
783	L	76.4	Confident	65.9	Low	19 Å²	19	64.3 Å²	64.3	10%	0.099	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.8	170.4	-64.3	178.5	0	0	0	111.6	Y608 R609 F612 A640 L643 D644 G785	Y608-L783 HydrophobicContact CD1-CD1 4.45Å; Y608-L783 HydrophobicContact CD1-CD2 3.48Å; Y608-L783 VanDerWaalsContact CD1-CD2 3.48Å; Y608-L783 HydrophobicContact CD1-CG 3.95Å; Y608-L783 HydrophobicContact CE1-CD1 3.67Å; Y608-L783 HydrophobicContact CE1-CD2 3.56Å; Y608-L783 HydrophobicContact CE1-CG 3.52Å; Y608-L783 HydrophobicContact CG-CD2 4.26Å; R609-L783 HydrophobicContact CB-CD2 4.39Å; R609-L783 HydrophobicContact CG-CD2 3.83Å; F612-L783 HydrophobicContact CB-CD1 4.15Å; F612-L783 HydrophobicContact CB-CD2 3.68Å; F612-L783 HydrophobicContact CD1-CD1 4.35Å; F612-L783 HydrophobicContact CD1-CD2 4.27Å; F612-L783 HydrophobicContact CD2-CD1 3.81Å; F612-L783 HydrophobicContact CE2-CD1 4.32Å; F612-L783 HydrophobicContact CG-CD1 3.83Å; F612-L783 HydrophobicContact CG-CD2 4Å; F612-L783 HydrophobicContact CG-CG 4.43Å; A640-L783 HydrophobicContact CB-CB 4.17Å; L643-L783 HydrophobicContact CB-CD1 3.45Å; L643-L783 VanDerWaalsContact CB-CD1 3.45Å; L643-L783 HydrophobicContact CD1-CD1 3.69Å; L643-L783 HydrophobicContact CG-CD1 4.23Å; D644-L783 VanDerWaalsContact CG-N 3.28Å; D644-L783 WeakPolarHBondContact OD1-CB 3.4Å; D644-L783 PolarHBondContact OD1-N 2.87Å; D644-L783 PolarHBondContact OD2-N 3.03Å; L783-G785 PolarHBondContact O-N 2.92Å
784	M	71.2	Confident	68.1	Low	59 Å²	59	65.9 Å²	65.9	29%	0.291	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.3	172.6	-68.9	-55.3	-44.8	0	0	113.4	A640 D644 I773 G782	A640-M784 HydrophobicContact CB-CG 4.03Å; A640-M784 HydrophobicContact CB-SD 3.48Å; A640-M784 WeakPolarHBondContact CB-SD 3.26Å; D644-M784 PolarHBondContact OD2-N 2.84Å; I773-M784 HydrophobicContact CD1-CB 4.45Å; I773-M784 HydrophobicContact CD1-CE 4.2Å; I773-M784 HydrophobicContact CD1-CG 4.35Å; G782-M784 VanDerWaalsContact C-N 3.27Å
785	G	70.9	Confident	70.2	Confident	12 Å²	12	61.7 Å²	61.7	12%	0.124	32%	0.317	C	S	.	.			trans	-99	150.3	-176.1	0	0	0	0	0	113.9	H780 G782 L783	H780-G785 WeakPolarHBondContact ND1-CA 3.24Å; H780-G785 PolarHBondContact ND1-N 2.92Å; H780-G785 CarbonylContact O-C 3.54Å; H780-G785 WeakPolarHBondContact O-CA 3.37Å; G782-G785 PolarHBondContact O-N 2.77Å; G782-G785 VanDerWaalsContact O-N 3.08Å; L783-G785 PolarHBondContact O-N 2.92Å
786	S	67.8	Low	72.1	Confident	82 Å²	82	57.8 Å²	57.8	57%	0.573	29%	0.289	S	S	*	.			trans	-96.9	-1.7	176.9	57.6	0	0	0	0	113.9	E788	S786-E788 PolarHBondContact O-N 2.92Å
787	L	74.3	Confident	74	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	28%	0.275	C	S	.	.			trans	-74.5	98	-175.5	-174.5	67.6	0	0	0	110.9	L602 R609 L765 F779 H780 F781 F792	L602-L787 HydrophobicContact CD2-CD2 3.78Å; L602-L787 HydrophobicContact CD2-CG 4Å; R609-L787 VanDerWaalsContact CZ-O 3.31Å; R609-L787 VanDerWaalsContact NH1-C 3.34Å; R609-L787 PolarHBondContact NH1-O 2.94Å; R609-L787 PolarHBondContact NH2-O 2.77Å; L765-L787 HydrophobicContact CD1-CD2 3.53Å; F779-L787 HydrophobicContact CD1-CD1 4.44Å; F779-L787 HydrophobicContact CD1-CD2 4.14Å; H780-L787 WeakPolarHBondContact O-CB 3.21Å; H780-L787 PolarHBondContact O-N 3.35Å; F781-L787 HydrophobicContact CB-CD2 4.43Å; L787-F792 HydrophobicContact CD1-CB 4.19Å; L787-F792 HydrophobicContact CD1-CD2 4.42Å
788	E	79.8	Confident	75.4	Confident	87 Å²	87	56.7 Å²	56.7	41%	0.407	30%	0.296	S	S	.	.			trans	-95.5	159.2	174.9	-70.6	179.5	178.9	0	0	112.2	S786 E790 T791 F792	S786-E788 PolarHBondContact O-N 2.92Å; E788-E790 PolarHBondContact O-N 2.6Å; E788-T791 PolarHBondContact O-N 2.72Å; E788-F792 WeakPolarHBondContact O-CB 3.38Å; E788-F792 PolarHBondContact O-N 2.82Å
789	P	83.7	Confident	76.6	Confident	16 Å²	16	54.4 Å²	54.4	10%	0.104	28%	0.283	C	S	.	.	H	α-helix	trans	-54.4	-38.6	175.9	-25	33.3	0	0	0	113.4	L599 L602 Q603 D606 K793	L599-P789 HydrophobicContact CD1-CB 4.05Å; L602-P789 HydrophobicContact CB-CB 4.48Å; L602-P789 HydrophobicContact CB-CG 4.05Å; Q603-P789 HydrophobicContact CG-CB 4.4Å; Q603-P789 HydrophobicContact CG-CG 4.16Å; D606-P789 HydrophobicContact CB-CG 4.09Å; P789-K793 WeakPolarHBondContact O-CG 3.39Å; P789-K793 PolarHBondContact O-N 2.92Å
790	E	82.6	Confident	77.6	Confident	129 Å²	129	57.4 Å²	57.4	60%	0.603	30%	0.3	S	S	*	.	H	α-helix	trans	-71.1	-44.6	178.9	-63.7	-164.6	168.4	0	0	112.3	E788 F792 K793 K794	E788-E790 PolarHBondContact O-N 2.6Å; E790-F792 PolarHBondContact O-N 2.81Å; E790-K793 WeakPolarHBondContact O-CB 3.36Å; E790-K793 PolarHBondContact O-N 2.73Å; E790-K793 VanDerWaalsContact O-N 3.16Å; E790-K794 WeakPolarHBondContact O-CG 3.03Å; E790-K794 PolarHBondContact O-N 2.76Å
791	T	80	Confident	78.4	Confident	68 Å²	68	65.4 Å²	65.4	42%	0.417	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-39.9	174.2	-52.4	0	0	0	0	111	E788 K794 F795	E788-T791 PolarHBondContact O-N 2.72Å; T791-K794 PolarHBondContact O-N 3.05Å; T791-F795 WeakPolarHBondContact O-CB 2.86Å; T791-F795 PolarHBondContact O-N 2.81Å
792	F	82.6	Confident	78.8	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-42.3	174.9	-174.6	-108.5	0	0	0	112.6	L598 L602 L787 E788 E790 K794 F795 L796	L598-F792 HydrophobicContact CB-CE1 4Å; L598-F792 HydrophobicContact CB-CZ 4.19Å; L598-F792 HydrophobicContact CD1-CE1 4.35Å; L598-F792 HydrophobicContact CD1-CZ 3.77Å; L598-F792 HydrophobicContact CG-CZ 4.47Å; L602-F792 HydrophobicContact CD1-CB 3.42Å; L602-F792 VanDerWaalsContact CD1-CB 3.42Å; L602-F792 HydrophobicContact CD1-CD1 3.67Å; L602-F792 HydrophobicContact CD1-CD2 4.18Å; L602-F792 HydrophobicContact CD1-CG 3.48Å; L602-F792 VanDerWaalsContact CD1-CG 3.48Å; L787-F792 HydrophobicContact CD1-CB 4.19Å; L787-F792 HydrophobicContact CD1-CD2 4.42Å; E788-F792 WeakPolarHBondContact O-CB 3.38Å; E788-F792 PolarHBondContact O-N 2.82Å; E790-F792 PolarHBondContact O-N 2.81Å; F792-K794 VanDerWaalsContact C-N 3.32Å; F792-K794 PolarHBondContact O-N 2.97Å; F792-F795 HydrophobicContact CD2-CD1 4.21Å; F792-F795 HydrophobicContact CE2-CD1 4.12Å; F792-F795 WeakPolarHBondContact O-CB 3.16Å; F792-F795 PolarHBondContact O-N 3.42Å; F792-L796 HydrophobicContact CD1-CD1 4.07Å; F792-L796 HydrophobicContact CD1-CG 4.33Å; F792-L796 HydrophobicContact CE1-CD1 3.58Å; F792-L796 HydrophobicContact CE1-CD2 4.25Å; F792-L796 HydrophobicContact CE1-CG 3.95Å; F792-L796 HydrophobicContact CE2-CD2 4.37Å; F792-L796 HydrophobicContact CZ-CD1 4.08Å; F792-L796 HydrophobicContact CZ-CD2 3.87Å; F792-L796 HydrophobicContact CZ-CG 4.02Å; F792-L796 WeakPolarHBondContact O-CG 2.8Å; F792-L796 PolarHBondContact O-N 2.9Å
793	K	84.1	Confident	79.1	Confident	115 Å²	115	68 Å²	68	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-42.6	172.8	-75.2	176.8	-179.3	-178.9	0	111.7	L599 P789 E790 L796 A797	L599-K793 HydrophobicContact CD1-CG 4.26Å; P789-K793 WeakPolarHBondContact O-CG 3.39Å; P789-K793 PolarHBondContact O-N 2.92Å; E790-K793 WeakPolarHBondContact O-CB 3.36Å; E790-K793 PolarHBondContact O-N 2.73Å; E790-K793 VanDerWaalsContact O-N 3.16Å; K793-L796 PolarHBondContact O-N 2.61Å; K793-A797 PolarHBondContact O-N 3.18Å; K793-A797 VanDerWaalsContact O-N 3.11Å
794	K	82.7	Confident	79.4	Confident	126 Å²	126	71.7 Å²	71.7	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-43.1	174.7	-72.3	177.7	-177.1	175.4	0	111	E790 T791 F792 L796 A797 H798	E790-K794 WeakPolarHBondContact O-CG 3.03Å; E790-K794 PolarHBondContact O-N 2.76Å; T791-K794 PolarHBondContact O-N 3.05Å; F792-K794 VanDerWaalsContact C-N 3.32Å; F792-K794 PolarHBondContact O-N 2.97Å; K794-L796 PolarHBondContact O-N 3.31Å; K794-A797 PolarHBondContact O-N 3.33Å; K794-A797 VanDerWaalsContact O-N 3.13Å; K794-H798 WeakPolarHBondContact O-CB 3.46Å; K794-H798 PolarHBondContact O-N 3.45Å; K794-H798 PolarHBondContact O-ND1 2.79Å
795	F	78.6	Confident	80	Confident	37 Å²	37	76.1 Å²	76.1	16%	0.162	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-46.1	174.6	169.2	-102.8	0	0	0	112.1	F779 T791 F792 A797 D799 A803 L806	F779-F795 HydrophobicContact CE1-CD1 4.41Å; F779-F795 HydrophobicContact CE1-CE1 4.19Å; F779-F795 HydrophobicContact CE1-CZ 4.33Å; F779-F795 HydrophobicContact CZ-CD2 4.41Å; F779-F795 HydrophobicContact CZ-CE1 4.07Å; F779-F795 AromaticContact CZ-CE2 3.93Å; F779-F795 HydrophobicContact CZ-CE2 3.93Å; F779-F795 AromaticContact CZ-CZ 3.74Å; F779-F795 HydrophobicContact CZ-CZ 3.74Å; T791-F795 WeakPolarHBondContact O-CB 2.86Å; T791-F795 PolarHBondContact O-N 2.81Å; F792-F795 HydrophobicContact CD2-CD1 4.21Å; F792-F795 HydrophobicContact CE2-CD1 4.12Å; F792-F795 WeakPolarHBondContact O-CB 3.16Å; F792-F795 PolarHBondContact O-N 3.42Å; F795-A797 PolarHBondContact O-N 2.66Å; F795-D799 HydrophobicContact CD2-CB 4.06Å; F795-D799 HydrophobicContact CE2-CB 3.98Å; F795-D799 PolarHBondContact O-N 2.88Å; F795-D799 VanDerWaalsContact O-N 3.08Å; F795-A803 HydrophobicContact CD1-CB 4.33Å; F795-A803 HydrophobicContact CE1-CB 3.87Å; F795-A803 HydrophobicContact CZ-CB 4.2Å; F795-L806 HydrophobicContact CE1-CD1 4.35Å
796	L	80.8	Confident	80.6	Confident	46 Å²	46	76.4 Å²	76.4	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-31.6	176.3	-68.8	-178.7	0	0	0	112.9	F792 K793 K794 A803 I807	F792-L796 HydrophobicContact CD1-CD1 4.07Å; F792-L796 HydrophobicContact CD1-CG 4.33Å; F792-L796 HydrophobicContact CE1-CD1 3.58Å; F792-L796 HydrophobicContact CE1-CD2 4.25Å; F792-L796 HydrophobicContact CE1-CG 3.95Å; F792-L796 HydrophobicContact CE2-CD2 4.37Å; F792-L796 HydrophobicContact CZ-CD1 4.08Å; F792-L796 HydrophobicContact CZ-CD2 3.87Å; F792-L796 HydrophobicContact CZ-CG 4.02Å; F792-L796 WeakPolarHBondContact O-CG 2.8Å; F792-L796 PolarHBondContact O-N 2.9Å; K793-L796 PolarHBondContact O-N 2.61Å; K794-L796 PolarHBondContact O-N 3.31Å; L796-A803 HydrophobicContact CD2-CB 3.86Å; L796-I807 HydrophobicContact CD2-CD1 4.26Å; L796-I807 HydrophobicContact CD2-CG1 4.11Å
797	A	83.1	Confident	81.6	Confident	63 Å²	63	72.8 Å²	72.8	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-85.8	-38.8	-178.8	0	0	0	0	0	113.9	K793 K794 F795 I800	K793-A797 PolarHBondContact O-N 3.18Å; K793-A797 VanDerWaalsContact O-N 3.11Å; K794-A797 PolarHBondContact O-N 3.33Å; K794-A797 VanDerWaalsContact O-N 3.13Å; F795-A797 PolarHBondContact O-N 2.66Å; A797-I800 WeakPolarHBondContact O-CG1 3.46Å
798	H	79.8	Confident	82.2	Confident	155 Å²	155	74.3 Å²	74.3	72%	0.718	37%	0.371	S	S	*	.	H	α-helix	trans	-95.3	-39.5	-170.5	-65.7	77.9	0	0	0	113.2	K794	K794-H798 WeakPolarHBondContact O-CB 3.46Å; K794-H798 PolarHBondContact O-N 3.45Å; K794-H798 PolarHBondContact O-ND1 2.79Å
799	D	80.6	Confident	82.5	Confident	65 Å²	65	71.6 Å²	71.6	35%	0.348	36%	0.357	S	S	.	.			trans	-105.6	65	178.2	-170.4	-6.5	0	0	0	110.1	F795 K801 S802 A803	F795-D799 HydrophobicContact CD2-CB 4.06Å; F795-D799 HydrophobicContact CE2-CB 3.98Å; F795-D799 PolarHBondContact O-N 2.88Å; F795-D799 VanDerWaalsContact O-N 3.08Å; D799-K801 PolarHBondContact O-N 2.87Å; D799-K801 VanDerWaalsContact O-N 3.16Å; D799-S802 PolarHBondContact O-N 2.86Å; D799-S802 WeakPolarHBondContact OD1-CB 3.4Å; D799-S802 PolarHBondContact OD1-N 3.14Å; D799-S802 PolarHBondContact OD1-OG 3.37Å; D799-S802 WeakPolarHBondContact OD2-CB 3.5Å; D799-S802 PolarHBondContact OD2-OG 3.28Å; D799-A803 WeakPolarHBondContact O-CB 3.43Å; D799-A803 PolarHBondContact O-N 3.07Å
800	I	82.1	Confident	82.7	Confident	101 Å²	101	70.8 Å²	70.8	52%	0.518	35%	0.352	S	S	.	.	H	α-helix	trans	-55.3	-36.9	-175.1	-59.9	172.8	0	0	0	110.9	A797 N804	A797-I800 WeakPolarHBondContact O-CG1 3.46Å; I800-N804 WeakPolarHBondContact CG2-ND2 3.17Å; I800-N804 WeakPolarHBondContact O-CB 3.21Å; I800-N804 PolarHBondContact O-N 2.94Å; I800-N804 PolarHBondContact O-ND2 3.41Å
801	K	81.6	Confident	83	Confident	183 Å²	183	64.7 Å²	64.7	80%	0.796	32%	0.324	S	S	*	.	H	α-helix	trans	-68.8	-50	-178	-171.4	178.1	-179.8	180	0	111.6	D799 K805	D799-K801 PolarHBondContact O-N 2.87Å; D799-K801 VanDerWaalsContact O-N 3.16Å; K801-K805 PolarHBondContact O-N 2.82Å; K801-K805 VanDerWaalsContact O-N 3.15Å
802	S	76.9	Confident	83.4	Confident	54 Å²	54	61.7 Å²	61.7	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-39	178.1	-56.6	0	0	0	0	111.6	D799 K805 L806	D799-S802 PolarHBondContact O-N 2.86Å; D799-S802 WeakPolarHBondContact OD1-CB 3.4Å; D799-S802 PolarHBondContact OD1-N 3.14Å; D799-S802 PolarHBondContact OD1-OG 3.37Å; D799-S802 WeakPolarHBondContact OD2-CB 3.5Å; D799-S802 PolarHBondContact OD2-OG 3.28Å; S802-K805 PolarHBondContact O-N 2.88Å; S802-L806 WeakPolarHBondContact O-CB 3.44Å; S802-L806 PolarHBondContact O-N 2.88Å
803	A	80.8	Confident	83.5	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-48.7	174.7	0	0	0	0	0	111.2	F795 L796 D799 K805 L806 I807	F795-A803 HydrophobicContact CD1-CB 4.33Å; F795-A803 HydrophobicContact CE1-CB 3.87Å; F795-A803 HydrophobicContact CZ-CB 4.2Å; L796-A803 HydrophobicContact CD2-CB 3.86Å; D799-A803 WeakPolarHBondContact O-CB 3.43Å; D799-A803 PolarHBondContact O-N 3.07Å; A803-K805 VanDerWaalsContact C-N 3.32Å; A803-K805 PolarHBondContact O-N 3.47Å; A803-L806 PolarHBondContact O-N 2.82Å; A803-I807 WeakPolarHBondContact O-CB 2.85Å; A803-I807 VanDerWaalsContact O-CG1 3.28Å; A803-I807 WeakPolarHBondContact O-CG1 3.32Å; A803-I807 PolarHBondContact O-N 3.02Å
804	N	84.7	Confident	83.6	Confident	97 Å²	97	56.2 Å²	56.2	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-41.2	177.3	-78.1	-20.8	0	0	0	111.8	I800 L806 D808	I800-N804 WeakPolarHBondContact CG2-ND2 3.17Å; I800-N804 WeakPolarHBondContact O-CB 3.21Å; I800-N804 PolarHBondContact O-N 2.94Å; I800-N804 PolarHBondContact O-ND2 3.41Å; N804-L806 PolarHBondContact O-N 2.8Å; N804-D808 WeakPolarHBondContact O-CB 3.18Å; N804-D808 PolarHBondContact O-N 3.33Å
805	K	82.4	Confident	83.9	Confident	153 Å²	153	50.2 Å²	50.2	67%	0.665	26%	0.255	S	S	*	.	H	α-helix	trans	-62.7	-42.5	176.4	-171.5	178.6	179.7	-177.9	0	112.2	K801 S802 A803 R809	K801-K805 PolarHBondContact O-N 2.82Å; K801-K805 VanDerWaalsContact O-N 3.15Å; S802-K805 PolarHBondContact O-N 2.88Å; A803-K805 VanDerWaalsContact C-N 3.32Å; A803-K805 PolarHBondContact O-N 3.47Å; K805-R809 WeakPolarHBondContact O-CB 3.4Å; K805-R809 PolarHBondContact O-N 3.13Å; K805-R809 VanDerWaalsContact O-N 3.13Å
806	L	83.3	Confident	84	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-47.4	178.7	-174.9	149.4	0	0	0	111.6	L598 L765 F779 F795 S802 A803 N804 A810	L598-L806 HydrophobicContact CD1-CD2 4.23Å; L765-L806 HydrophobicContact CD2-CD1 3.75Å; L765-L806 HydrophobicContact CD2-CD2 4.06Å; L765-L806 HydrophobicContact CD2-CG 4.38Å; F779-L806 HydrophobicContact CE1-CD1 4.02Å; F779-L806 HydrophobicContact CZ-CD1 4.13Å; F795-L806 HydrophobicContact CE1-CD1 4.35Å; S802-L806 WeakPolarHBondContact O-CB 3.44Å; S802-L806 PolarHBondContact O-N 2.88Å; A803-L806 PolarHBondContact O-N 2.82Å; N804-L806 PolarHBondContact O-N 2.8Å; L806-A810 WeakPolarHBondContact O-CB 3.49Å; L806-A810 PolarHBondContact O-N 2.82Å; L806-A810 VanDerWaalsContact O-N 3.07Å
807	I	88.6	Confident	84	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-42.1	179.2	-65.2	-59.8	0	0	0	111	V591 V594 Q595 L598 L796 A803 R809 A810 V811	V591-I807 HydrophobicContact CB-CG2 4.43Å; V591-I807 HydrophobicContact CG1-CG2 3.89Å; V591-I807 HydrophobicContact CG2-CG2 4.24Å; V594-I807 HydrophobicContact CG1-CD1 4.23Å; Q595-I807 HydrophobicContact CG-CD1 3.76Å; Q595-I807 HydrophobicContact CG-CG1 4.34Å; Q595-I807 HydrophobicContact CG-CG2 4.41Å; L598-I807 HydrophobicContact CD1-CD1 3.71Å; L796-I807 HydrophobicContact CD2-CD1 4.26Å; L796-I807 HydrophobicContact CD2-CG1 4.11Å; A803-I807 WeakPolarHBondContact O-CB 2.85Å; A803-I807 VanDerWaalsContact O-CG1 3.28Å; A803-I807 WeakPolarHBondContact O-CG1 3.32Å; A803-I807 PolarHBondContact O-N 3.02Å; I807-R809 PolarHBondContact O-N 3.4Å; I807-A810 PolarHBondContact O-N 2.71Å; I807-V811 HydrophobicContact CG2-CG2 4.38Å; I807-V811 VanDerWaalsContact O-CG2 3.3Å; I807-V811 WeakPolarHBondContact O-CG2 3.18Å; I807-V811 PolarHBondContact O-N 2.85Å
808	D	87.8	Confident	84	Confident	37 Å²	37	43.7 Å²	43.7	20%	0.198	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-47.1	178.2	-171.1	69.1	0	0	0	111.3	K587 N804 A810 V811 Y812 Y867	K587-D808 WeakPolarHBondContact CE-OD1 3.4Å; K587-D808 IonicContact NZ-OD1 3.89Å; K587-D808 PolarHBondContact NZ-OD1 2.67Å; N804-D808 WeakPolarHBondContact O-CB 3.18Å; N804-D808 PolarHBondContact O-N 3.33Å; D808-A810 PolarHBondContact O-N 3.03Å; D808-V811 WeakPolarHBondContact O-CB 3.5Å; D808-V811 PolarHBondContact O-N 2.76Å; D808-Y812 WeakPolarHBondContact O-CD2 3.39Å; D808-Y812 WeakPolarHBondContact O-CE2 3.47Å; D808-Y812 PolarHBondContact O-N 3.36Å; D808-Y812 WeakPolarHBondContact OD1-CE2 3.04Å; D808-Y812 WeakPolarHBondContact OD2-CE2 3.25Å; D808-Y867 PolarHBondContact OD2-OH 3.05Å
809	R	85	Confident	84	Confident	29 Å²	29	38.3 Å²	38.3	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-55.6	-48.8	172.2	178.9	-176.6	176.3	-91.4	-2.3	112.1	R763 Y764 K805 I807 V811 Y812 M813 Y867 D871	R763-R809 PolarHBondContact O-NH1 2.64Å; R763-R809 VanDerWaalsContact O-NH1 3.1Å; Y764-R809 PolarHBondContact O-NH1 3.03Å; K805-R809 WeakPolarHBondContact O-CB 3.4Å; K805-R809 PolarHBondContact O-N 3.13Å; K805-R809 VanDerWaalsContact O-N 3.13Å; I807-R809 PolarHBondContact O-N 3.4Å; R809-V811 VanDerWaalsContact C-N 3.3Å; R809-V811 PolarHBondContact O-N 3.31Å; R809-Y812 PolarHBondContact O-N 2.88Å; R809-M813 PolarHBondContact O-N 3.32Å; R809-Y867 HydrophobicContact CB-CD1 3.97Å; R809-Y867 HydrophobicContact CB-CE1 3.63Å; R809-Y867 HydrophobicContact CG-CD1 3.76Å; R809-Y867 HydrophobicContact CG-CE1 3.96Å; R809-Y867 HydrophobicContact CG-CG 4.3Å; R809-D871 IonicContact CZ-OD2 3.47Å; R809-D871 IonicContact NE-OD1 2.63Å; R809-D871 IonicContact NE-OD2 3.44Å; R809-D871 PolarHBondContact NE-OD2 2.96Å; R809-D871 IonicContact NH2-OD2 2.95Å; R809-D871 PolarHBondContact NH2-OD2 3.47Å
810	A	88	Confident	83.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-32.1	-178.9	0	0	0	0	0	112.8	V594 Y764 L806 I807 D808 Y812 M813 K814	V594-A810 HydrophobicContact CG1-CB 3.47Å; V594-A810 VanDerWaalsContact CG1-CB 3.47Å; V594-A810 HydrophobicContact CG2-CB 4.5Å; Y764-A810 HydrophobicContact CD1-CB 3.49Å; Y764-A810 VanDerWaalsContact CD1-CB 3.49Å; Y764-A810 HydrophobicContact CD2-CB 4.44Å; Y764-A810 HydrophobicContact CE1-CB 4.13Å; Y764-A810 HydrophobicContact CG-CB 3.68Å; L806-A810 WeakPolarHBondContact O-CB 3.49Å; L806-A810 PolarHBondContact O-N 2.82Å; L806-A810 VanDerWaalsContact O-N 3.07Å; I807-A810 PolarHBondContact O-N 2.71Å; D808-A810 PolarHBondContact O-N 3.03Å; A810-Y812 PolarHBondContact O-N 2.79Å; A810-M813 WeakPolarHBondContact O-CB 3.46Å; A810-M813 PolarHBondContact O-N 3.07Å; A810-K814 PolarHBondContact O-N 2.83Å
811	V	90.1	Very high	83	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-42	173	164.4	0	0	0	0	111.8	K587 L590 V591 V594 I807 D808 R809 M813 K814 F815 F860	K587-V811 HydrophobicContact CG-CG1 4.34Å; L590-V811 HydrophobicContact CB-CG1 3.82Å; L590-V811 HydrophobicContact CB-CG2 4.32Å; L590-V811 HydrophobicContact CD1-CG1 4.09Å; V591-V811 HydrophobicContact CB-CG2 4.26Å; V591-V811 HydrophobicContact CG2-CG2 3.61Å; V594-V811 HydrophobicContact CG2-CG2 4.22Å; I807-V811 HydrophobicContact CG2-CG2 4.38Å; I807-V811 VanDerWaalsContact O-CG2 3.3Å; I807-V811 WeakPolarHBondContact O-CG2 3.18Å; I807-V811 PolarHBondContact O-N 2.85Å; D808-V811 WeakPolarHBondContact O-CB 3.5Å; D808-V811 PolarHBondContact O-N 2.76Å; R809-V811 VanDerWaalsContact C-N 3.3Å; R809-V811 PolarHBondContact O-N 3.31Å; V811-M813 VanDerWaalsContact C-N 3.35Å; V811-K814 PolarHBondContact O-N 2.83Å; V811-F815 PolarHBondContact O-N 2.89Å; V811-F860 HydrophobicContact CG1-CE1 4.41Å
812	Y	88.6	Confident	82	Confident	6 Å²	6	26 Å²	26	2%	0.024	13%	0.129	C	C	.	.	H	α-helix	trans	-72.5	-29.3	178.2	-65.1	-66.7	0	0	0	112.9	K587 D808 R809 A810 E816 F860 N863 Y867	K587-Y812 PolarHBondContact NZ-OH 3.22Å; D808-Y812 WeakPolarHBondContact O-CD2 3.39Å; D808-Y812 WeakPolarHBondContact O-CE2 3.47Å; D808-Y812 PolarHBondContact O-N 3.36Å; D808-Y812 WeakPolarHBondContact OD1-CE2 3.04Å; D808-Y812 WeakPolarHBondContact OD2-CE2 3.25Å; R809-Y812 PolarHBondContact O-N 2.88Å; A810-Y812 PolarHBondContact O-N 2.79Å; Y812-E816 PolarHBondContact O-N 3.2Å; Y812-F860 AromaticContact CD1-CD1 3.87Å; Y812-F860 HydrophobicContact CD1-CD1 3.87Å; Y812-F860 AromaticContact CE1-CD1 3.54Å; Y812-F860 HydrophobicContact CE1-CD1 3.54Å; Y812-F860 HydrophobicContact CE1-CE1 4.13Å; Y812-F860 HydrophobicContact CE1-CG 4.41Å; Y812-N863 HydrophobicContact CD1-CB 3.89Å; Y812-N863 HydrophobicContact CD2-CB 4.14Å; Y812-N863 HydrophobicContact CE1-CB 3.45Å; Y812-N863 VanDerWaalsContact CE1-CB 3.45Å; Y812-N863 HydrophobicContact CE2-CB 3.7Å; Y812-N863 HydrophobicContact CG-CB 4.25Å; Y812-N863 PolarHBondContact OH-ND2 3.32Å; Y812-Y867 AromaticContact CD2-CD2 3.57Å; Y812-Y867 HydrophobicContact CD2-CD2 3.57Å; Y812-Y867 AromaticContact CD2-CE2 3.3Å; Y812-Y867 HydrophobicContact CD2-CE2 3.3Å; Y812-Y867 HydrophobicContact CE2-CD2 4.37Å; Y812-Y867 AromaticContact CE2-CE2 3.74Å; Y812-Y867 HydrophobicContact CE2-CE2 3.74Å; Y812-Y867 HydrophobicContact CG-CD2 4.14Å; Y812-Y867 HydrophobicContact CG-CE2 4.29Å
813	M	84.2	Confident	81.1	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-45.1	166.6	-66.8	173.8	154.6	0	0	110.8	L677 R763 Y764 R809 A810 V811 F815 E816 E817	L677-M813 HydrophobicContact CB-CE 3.97Å; L677-M813 HydrophobicContact CB-CG 4.29Å; L677-M813 HydrophobicContact CD1-CG 4.4Å; R763-M813 HydrophobicContact CG-SD 3.79Å; R763-M813 VanDerWaalsContact NH2-C 3.31Å; R763-M813 PolarHBondContact NH2-O 3.5Å; R763-M813 WeakPolarHBondContact O-CE 3.41Å; Y764-M813 HydrophobicContact CD1-CB 4.47Å; Y764-M813 HydrophobicContact CD1-SD 4.12Å; Y764-M813 HydrophobicContact CE1-CB 4.17Å; R809-M813 PolarHBondContact O-N 3.32Å; A810-M813 WeakPolarHBondContact O-CB 3.46Å; A810-M813 PolarHBondContact O-N 3.07Å; V811-M813 VanDerWaalsContact C-N 3.35Å; M813-F815 VanDerWaalsContact C-N 3.3Å; M813-F815 PolarHBondContact O-N 2.88Å; M813-E816 VanDerWaalsContact O-CB 3.3Å; M813-E816 WeakPolarHBondContact O-CB 3.01Å; M813-E816 PolarHBondContact O-N 3.05Å; M813-E816 VanDerWaalsContact O-N 3.07Å; M813-E817 PolarHBondContact O-N 3.08Å
814	K	86.9	Confident	79.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-40.3	176.8	-164.8	76.4	-157.2	174.2	0	112.2	L590 L593 V594 E597 Y764 A810 V811 E816 E817 Y818	L590-K814 HydrophobicContact CD2-CB 4.37Å; L590-K814 HydrophobicContact CD2-CG 3.94Å; L593-K814 HydrophobicContact CD2-CD 3.57Å; L593-K814 HydrophobicContact CD2-CG 3.97Å; V594-K814 HydrophobicContact CG2-CB 3.79Å; V594-K814 HydrophobicContact CG2-CG 4.21Å; E597-K814 VanDerWaalsContact CD-NZ 3.34Å; E597-K814 IonicContact OE1-NZ 2.59Å; E597-K814 PolarHBondContact OE1-NZ 3.18Å; E597-K814 IonicContact OE2-NZ 3.42Å; E597-K814 PolarHBondContact OE2-NZ 3.34Å; Y764-K814 WeakPolarHBondContact OH-CD 3.27Å; A810-K814 PolarHBondContact O-N 2.83Å; V811-K814 PolarHBondContact O-N 2.83Å; K814-E816 VanDerWaalsContact C-N 3.34Å; K814-E816 PolarHBondContact O-N 3.28Å; K814-E817 VanDerWaalsContact CE-OE2 3.32Å; K814-E817 WeakPolarHBondContact CE-OE2 3.46Å; K814-E817 IonicContact NZ-OE1 3.15Å; K814-E817 PolarHBondContact NZ-OE1 2.93Å; K814-E817 IonicContact NZ-OE2 3.85Å; K814-E817 PolarHBondContact NZ-OE2 3.05Å; K814-E817 WeakPolarHBondContact O-CB 3.34Å; K814-E817 PolarHBondContact O-N 2.81Å; K814-Y818 HydrophobicContact CD-CE1 4.49Å; K814-Y818 WeakPolarHBondContact CE-OH 3.46Å; K814-Y818 PolarHBondContact O-N 2.97Å
815	F	87.3	Confident	78.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-45.8	171.3	172	-95.7	0	0	0	111.6	L590 V811 M813 E817 Y818 Y819 I847 Y857 F860 M861	L590-F815 HydrophobicContact CD1-CB 4.42Å; V811-F815 PolarHBondContact O-N 2.89Å; M813-F815 VanDerWaalsContact C-N 3.3Å; M813-F815 PolarHBondContact O-N 2.88Å; F815-E817 VanDerWaalsContact C-N 3.33Å; F815-E817 PolarHBondContact O-N 3.45Å; F815-Y818 PolarHBondContact O-N 3.31Å; F815-Y819 HydrophobicContact CE2-CD2 4.41Å; F815-Y819 HydrophobicContact CZ-CD2 4.14Å; F815-Y819 HydrophobicContact CZ-CG 4.18Å; F815-Y819 VanDerWaalsContact O-CB 3.25Å; F815-Y819 WeakPolarHBondContact O-CB 3.37Å; F815-Y819 PolarHBondContact O-N 3.09Å; F815-I847 HydrophobicContact CD2-CD1 4.22Å; F815-I847 HydrophobicContact CD2-CG2 3.9Å; F815-I847 HydrophobicContact CE2-CG2 3.83Å; F815-Y857 HydrophobicContact CZ-CD2 4.28Å; F815-F860 HydrophobicContact CB-CD1 4.22Å; F815-F860 HydrophobicContact CD1-CB 3.98Å; F815-F860 HydrophobicContact CD2-CB 3.8Å; F815-F860 AromaticContact CD2-CD1 3.87Å; F815-F860 HydrophobicContact CD2-CD1 3.87Å; F815-F860 HydrophobicContact CD2-CD2 4.29Å; F815-F860 AromaticContact CD2-CG 3.74Å; F815-F860 HydrophobicContact CD2-CG 3.74Å; F815-F860 HydrophobicContact CE1-CB 3.8Å; F815-F860 HydrophobicContact CE2-CB 3.6Å; F815-F860 HydrophobicContact CE2-CD1 4.46Å; F815-F860 HydrophobicContact CE2-CD2 4.22Å; F815-F860 AromaticContact CE2-CG 3.87Å; F815-F860 HydrophobicContact CE2-CG 3.87Å; F815-F860 HydrophobicContact CG-CB 3.99Å; F815-F860 AromaticContact CG-CD1 4Å; F815-F860 HydrophobicContact CG-CD1 4Å; F815-F860 HydrophobicContact CG-CG 4.15Å; F815-F860 HydrophobicContact CZ-CB 3.61Å; F815-F860 HydrophobicContact CZ-CG 4.38Å; F815-M861 HydrophobicContact CE1-CG 4.36Å; F815-M861 HydrophobicContact CE1-SD 3.82Å; F815-M861 HydrophobicContact CZ-SD 4.44Å
816	E	81.9	Confident	76.3	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-43.3	176.2	-173.4	-162.4	128.7	0	0	112.3	S676 L677 S678 Y812 M813 K814 F820 W864	S676-E816 WeakPolarHBondContact CB-OE1 3.49Å; S676-E816 PolarHBondContact OG-OE1 3.16Å; L677-E816 WeakPolarHBondContact CB-OE2 3.45Å; S678-E816 PolarHBondContact OG-OE1 3.26Å; Y812-E816 PolarHBondContact O-N 3.2Å; M813-E816 VanDerWaalsContact O-CB 3.3Å; M813-E816 WeakPolarHBondContact O-CB 3.01Å; M813-E816 PolarHBondContact O-N 3.05Å; M813-E816 VanDerWaalsContact O-N 3.07Å; K814-E816 VanDerWaalsContact C-N 3.34Å; K814-E816 PolarHBondContact O-N 3.28Å; E816-F820 HydrophobicContact CB-CD2 4.18Å; E816-F820 HydrophobicContact CG-CD2 3.57Å; E816-F820 HydrophobicContact CG-CE2 4.18Å; E816-F820 WeakPolarHBondContact O-CB 3.43Å; E816-F820 WeakPolarHBondContact O-CD2 3.26Å; E816-F820 PolarHBondContact O-N 2.83Å; E816-W864 HydrophobicContact CG-CZ2 4.25Å; E816-W864 PolarHBondContact OE2-NE1 3.14Å
817	E	79.7	Confident	74.1	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-49	175.6	-179.4	-169.6	153.3	0	0	111	R763 M813 K814 F815 Y819 W821	R763-E817 IonicContact CZ-OE2 3.61Å; R763-E817 IonicContact NH1-OE2 3.59Å; R763-E817 PolarHBondContact NH1-OE2 3.07Å; M813-E817 PolarHBondContact O-N 3.08Å; K814-E817 VanDerWaalsContact CE-OE2 3.32Å; K814-E817 WeakPolarHBondContact CE-OE2 3.46Å; K814-E817 IonicContact NZ-OE1 3.15Å; K814-E817 PolarHBondContact NZ-OE1 2.93Å; K814-E817 IonicContact NZ-OE2 3.85Å; K814-E817 PolarHBondContact NZ-OE2 3.05Å; K814-E817 WeakPolarHBondContact O-CB 3.34Å; K814-E817 PolarHBondContact O-N 2.81Å; F815-E817 VanDerWaalsContact C-N 3.33Å; F815-E817 PolarHBondContact O-N 3.45Å; E817-Y819 VanDerWaalsContact C-N 3.33Å; E817-Y819 PolarHBondContact O-N 3.2Å; E817-W821 HydrophobicContact CB-CD2 4.43Å; E817-W821 HydrophobicContact CB-CG 4.5Å; E817-W821 HydrophobicContact CG-CD2 4.19Å; E817-W821 HydrophobicContact CG-CE3 4.04Å; E817-W821 HydrophobicContact CG-CG 4.4Å; E817-W821 WeakPolarHBondContact O-CB 2.96Å; E817-W821 PolarHBondContact O-N 3.12Å; E817-W821 VanDerWaalsContact O-N 3.16Å
818	Y	83.8	Confident	71.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-71.3	-31.1	-175.1	-77.4	6.4	0	0	0	112.9	L590 L593 K814 F815 V843 R844 I847	L590-Y818 HydrophobicContact CD2-CD2 4.31Å; L590-Y818 HydrophobicContact CD2-CE2 4.48Å; L593-Y818 HydrophobicContact CD1-CE2 4.11Å; L593-Y818 VanDerWaalsContact CD1-OH 3.23Å; L593-Y818 WeakPolarHBondContact CD1-OH 3.46Å; K814-Y818 HydrophobicContact CD-CE1 4.49Å; K814-Y818 WeakPolarHBondContact CE-OH 3.46Å; K814-Y818 PolarHBondContact O-N 2.97Å; F815-Y818 PolarHBondContact O-N 3.31Å; Y818-V843 HydrophobicContact CD2-CG1 4.18Å; Y818-V843 HydrophobicContact CE2-CB 4.36Å; Y818-V843 HydrophobicContact CE2-CG1 4.12Å; Y818-R844 HydrophobicContact CD1-CB 4.34Å; Y818-R844 HydrophobicContact CD1-CG 4.09Å; Y818-R844 HydrophobicContact CD2-CB 3.87Å; Y818-R844 HydrophobicContact CD2-CG 4.31Å; Y818-R844 HydrophobicContact CE2-CB 4.1Å; Y818-R844 HydrophobicContact CG-CB 4Å; Y818-R844 HydrophobicContact CG-CG 3.92Å; Y818-I847 HydrophobicContact CD2-CD1 4.07Å
819	Y	80.9	Confident	69.7	Low	43 Å²	43	47.7 Å²	47.7	17%	0.169	24%	0.236	C	C	.	.	H	α-helix	trans	-85.2	-50.7	-178.9	-166.4	-89.5	0	0	0	113	F815 E817 I847 Y857	F815-Y819 HydrophobicContact CE2-CD2 4.41Å; F815-Y819 HydrophobicContact CZ-CD2 4.14Å; F815-Y819 HydrophobicContact CZ-CG 4.18Å; F815-Y819 VanDerWaalsContact O-CB 3.25Å; F815-Y819 WeakPolarHBondContact O-CB 3.37Å; F815-Y819 PolarHBondContact O-N 3.09Å; E817-Y819 VanDerWaalsContact C-N 3.33Å; E817-Y819 PolarHBondContact O-N 3.2Å; Y819-I847 HydrophobicContact CD2-CG2 3.94Å; Y819-I847 WeakPolarHBondContact CD2-O 2.99Å; Y819-I847 HydrophobicContact CG-CG2 4.4Å; Y819-Y857 HydrophobicContact CD1-CE2 4.39Å; Y819-Y857 HydrophobicContact CD2-CD2 4.43Å; Y819-Y857 HydrophobicContact CD2-CE2 4.41Å; Y819-Y857 AromaticContact CE1-CE2 3.7Å; Y819-Y857 HydrophobicContact CE1-CE2 3.7Å; Y819-Y857 AromaticContact CE2-CD2 3.75Å; Y819-Y857 HydrophobicContact CE2-CD2 3.75Å; Y819-Y857 AromaticContact CE2-CE2 3.71Å; Y819-Y857 HydrophobicContact CE2-CE2 3.71Å; Y819-Y857 AromaticContact CZ-CD2 3.83Å; Y819-Y857 AromaticContact CZ-CE2 3.31Å; Y819-Y857 WeakPolarHBondContact OH-CE2 3.4Å
820	F	71.6	Confident	67.7	Low	48 Å²	48	54.4 Å²	54.4	21%	0.211	27%	0.266	C	S	.	.	H	α-helix	trans	-94.9	-25.3	-170.8	-61.9	-72.7	0	0	0	114	Y670 E816 M861 W864	Y670-F820 HydrophobicContact CE1-CD1 4.25Å; E816-F820 HydrophobicContact CB-CD2 4.18Å; E816-F820 HydrophobicContact CG-CD2 3.57Å; E816-F820 HydrophobicContact CG-CE2 4.18Å; E816-F820 WeakPolarHBondContact O-CB 3.43Å; E816-F820 WeakPolarHBondContact O-CD2 3.26Å; E816-F820 PolarHBondContact O-N 2.83Å; F820-M861 HydrophobicContact CE2-SD 4.15Å; F820-M861 HydrophobicContact CZ-CE 3.95Å; F820-M861 HydrophobicContact CZ-SD 3.79Å; F820-W864 HydrophobicContact CE2-CZ2 4.45Å
821	W	68.5	Low	65.7	Low	8 Å²	8	59 Å²	59	3%	0.03	30%	0.304	C	S	.	.	S	Bend	trans	-88	129.8	-172	-64.9	23.2	0	0	0	110.3	I658 Y662 F679 F759 E817 H835 R844	I658-W821 HydrophobicContact CG2-CZ3 4.43Å; Y662-W821 HydrophobicContact CE2-CD2 4.06Å; Y662-W821 HydrophobicContact CE2-CE3 4.07Å; Y662-W821 HydrophobicContact CE2-CG 4.39Å; Y662-W821 HydrophobicContact CE2-CZ3 4.41Å; Y662-W821 WeakPolarHBondContact OH-CB 3.48Å; F679-W821 HydrophobicContact CD2-CZ2 4.1Å; F679-W821 HydrophobicContact CE1-CH2 4.13Å; F679-W821 HydrophobicContact CE1-CZ2 4.29Å; F679-W821 AromaticContact CE2-CE2 3.92Å; F679-W821 AromaticContact CE2-CH2 3.91Å; F679-W821 HydrophobicContact CE2-CH2 3.91Å; F679-W821 AromaticContact CE2-CZ2 3.25Å; F679-W821 HydrophobicContact CE2-CZ2 3.25Å; F679-W821 AromaticContact CZ-CH2 3.53Å; F679-W821 HydrophobicContact CZ-CH2 3.53Å; F679-W821 AromaticContact CZ-CZ2 3.38Å; F679-W821 HydrophobicContact CZ-CZ2 3.38Å; F679-W821 HydrophobicContact CZ-CZ3 4.46Å; F759-W821 HydrophobicContact CE1-CZ3 4.49Å; F759-W821 HydrophobicContact CE2-CH2 4.49Å; F759-W821 AromaticContact CZ-CH2 3.71Å; F759-W821 HydrophobicContact CZ-CH2 3.71Å; F759-W821 HydrophobicContact CZ-CZ3 4.01Å; E817-W821 HydrophobicContact CB-CD2 4.43Å; E817-W821 HydrophobicContact CB-CG 4.5Å; E817-W821 HydrophobicContact CG-CD2 4.19Å; E817-W821 HydrophobicContact CG-CE3 4.04Å; E817-W821 HydrophobicContact CG-CG 4.4Å; E817-W821 WeakPolarHBondContact O-CB 2.96Å; E817-W821 PolarHBondContact O-N 3.12Å; E817-W821 VanDerWaalsContact O-N 3.16Å; W821-H835 AromaticContact CE3-CD2 3.72Å; W821-H835 AromaticContact CE3-CG 3.95Å; W821-H835 AromaticContact CE3-NE2 3.84Å; W821-H835 HydrophobicContact CZ3-CB 4.35Å; W821-H835 AromaticContact CZ3-CE1 3.9Å; W821-H835 AromaticContact CZ3-CG 3.81Å; W821-H835 AromaticContact CZ3-ND1 3.75Å; W821-R844 PolarHBondContact O-NH2 2.03Å
822	P	60.6	Low	63.8	Low	33 Å²	33	62.3 Å²	62.3	21%	0.214	32%	0.321	C	S	.	.			trans	-61.9	151.7	175	7.9	-12.9	0	0	0	111.9	Y662 L824 R844	Y662-P822 HydrophobicContact CD1-CG 3.47Å; Y662-P822 VanDerWaalsContact CD1-CG 3.47Å; Y662-P822 HydrophobicContact CE1-CB 4.41Å; Y662-P822 HydrophobicContact CE1-CG 3.34Å; P822-L824 PolarHBondContact O-N 3.48Å; P822-L824 VanDerWaalsContact O-N 3.16Å; P822-R844 PolarHBondContact O-NH2 2.9Å
823	I	58.5	Low	62	Low	50 Å²	50	63.2 Å²	63.2	26%	0.256	33%	0.326	S	S	.	.			trans	-71.7	109.8	168.8	-60.2	163.6	0	0	0	104.6	R825	I823-R825 VanDerWaalsContact C-N 3.35Å; I823-R825 HydrophobicContact CG2-CG 4.46Å; I823-R825 PolarHBondContact O-N 2.86Å
824	L	55.7	Low	60.5	Low	36 Å²	36	65.2 Å²	65.2	19%	0.188	34%	0.335	C	S	.	.			trans	-63.6	100.3	176	-67.5	-179.6	0	0	0	108.4	T661 Y662 P822 M833 H835	T661-L824 HydrophobicContact CG2-CD2 3.8Å; Y662-L824 HydrophobicContact CE1-CD2 3.97Å; P822-L824 PolarHBondContact O-N 3.48Å; P822-L824 VanDerWaalsContact O-N 3.16Å; L824-M833 HydrophobicContact CD1-CB 3.43Å; L824-M833 VanDerWaalsContact CD1-CB 3.43Å; L824-M833 WeakPolarHBondContact CD1-O 3.43Å; L824-H835 WeakPolarHBondContact CD1-CE1 3.42Å; L824-H835 WeakPolarHBondContact CD1-NE2 3.42Å
825	R	45.9	Very low	59.2	Low	206 Å²	206	65.7 Å²	65.7	78%	0.777	34%	0.337	S	S	*	.			trans	-85.7	153.3	174.6	-73.5	-176.6	176.4	-178.8	-1.8	109	I823 V827	I823-R825 VanDerWaalsContact C-N 3.35Å; I823-R825 HydrophobicContact CG2-CG 4.46Å; I823-R825 PolarHBondContact O-N 2.86Å; R825-V827 PolarHBondContact O-N 2.63Å
826	H	45.7	Very low	57.9	Low	138 Å²	138	65.9 Å²	65.9	64%	0.639	34%	0.338	S	S	*	.			trans	-53.1	102.5	169.5	-82.2	-81.3	0	0	0	109.6	N828 I832	H826-N828 PolarHBondContact O-N 2.95Å; H826-I832 VanDerWaalsContact CE1-CG1 3.46Å; H826-I832 WeakPolarHBondContact CE1-CG1 3.42Å
827	V	37.7	Very low	56.7	Low	101 Å²	101	68.2 Å²	68.2	61%	0.612	35%	0.351	S	S	*	.			trans	-87.3	104.3	162.7	-175.4	0	0	0	0	105.7	R825 T829 K830	R825-V827 PolarHBondContact O-N 2.63Å; V827-T829 PolarHBondContact O-N 2.84Å; V827-K830 PolarHBondContact O-N 2.7Å
828	N	40.1	Very low	55.5	Low	141 Å²	141	72.3 Å²	72.3	75%	0.754	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	30.4	89.2	167	-65	-13.7	0	0	0	114.1	H826 K830	H826-N828 PolarHBondContact O-N 2.95Å; N828-K830 PolarHBondContact O-N 3.31Å
829	T	42.8	Very low	54.4	Low	152 Å²	152	77 Å²	77	93%	0.933	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	4.5	171.1	60.9	0	0	0	0	118.6	V827	V827-T829 PolarHBondContact O-N 2.84Å
830	K	43.4	Very low	53.6	Low	171 Å²	171	79 Å²	79	74%	0.743	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-95.2	142.7	173.3	-73.9	-177	-179.8	175.2	0	112.9	V827 N828	V827-K830 PolarHBondContact O-N 2.7Å; N828-K830 PolarHBondContact O-N 3.31Å
831	A	45.2	Very low	53.5	Low	95 Å²	95	80.6 Å²	80.6	79%	0.785	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-52.4	138.7	-167.2	0	0	0	0	0	113.8	M833	A831-M833 PolarHBondContact O-N 3.47Å
832	I	50.7	Low	53.9	Low	70 Å²	70	86.1 Å²	86.1	36%	0.359	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-57.6	121.2	176.2	-46.2	173.3	0	0	0	108.9	H826 E834	H826-I832 VanDerWaalsContact CE1-CG1 3.46Å; H826-I832 WeakPolarHBondContact CE1-CG1 3.42Å; I832-E834 HydrophobicContact CB-CG 4.19Å; I832-E834 HydrophobicContact CG2-CG 3.44Å; I832-E834 VanDerWaalsContact CG2-CG 3.44Å; I832-E834 PolarHBondContact O-N 2.61Å
833	M	50.9	Low	55	Low	26 Å²	26	84.6 Å²	84.6	13%	0.128	43%	0.431	C	S	.	.			trans	-85.7	103	162.4	-85.4	-151.9	-79.5	0	0	108	W654 T657 I658 T661 L824 A831	W654-M833 HydrophobicContact CD2-SD 4.47Å; W654-M833 HydrophobicContact CE3-CG 4.23Å; W654-M833 HydrophobicContact CE3-SD 3.97Å; W654-M833 VanDerWaalsContact CH2-CA 3.41Å; W654-M833 HydrophobicContact CH2-CB 3.65Å; W654-M833 HydrophobicContact CH2-CG 3.47Å; W654-M833 VanDerWaalsContact CH2-CG 3.47Å; W654-M833 HydrophobicContact CH2-SD 4.12Å; W654-M833 HydrophobicContact CZ2-CB 4.07Å; W654-M833 HydrophobicContact CZ2-CG 4.19Å; W654-M833 HydrophobicContact CZ2-SD 4.47Å; W654-M833 HydrophobicContact CZ3-CB 4.17Å; W654-M833 HydrophobicContact CZ3-CG 3.45Å; W654-M833 VanDerWaalsContact CZ3-CG 3.45Å; W654-M833 HydrophobicContact CZ3-SD 3.81Å; T657-M833 HydrophobicContact CG2-CE 3.47Å; T657-M833 VanDerWaalsContact CG2-CE 3.47Å; T657-M833 HydrophobicContact CG2-SD 3.48Å; T657-M833 WeakPolarHBondContact CG2-SD 3.17Å; I658-M833 HydrophobicContact CG1-CE 4.41Å; I658-M833 HydrophobicContact CG1-SD 3.7Å; T661-M833 HydrophobicContact CG2-CE 4.33Å; T661-M833 WeakPolarHBondContact OG1-CE 3.43Å; L824-M833 HydrophobicContact CD1-CB 3.43Å; L824-M833 VanDerWaalsContact CD1-CB 3.43Å; L824-M833 WeakPolarHBondContact CD1-O 3.43Å; A831-M833 PolarHBondContact O-N 3.47Å
834	E	52.5	Low	56.1	Low	42 Å²	42	82.6 Å²	82.6	20%	0.196	42%	0.42	C	S	.	.			trans	-100.2	112.4	-178.8	-74.7	170.2	-158.7	0	0	109.4	W654 K752 Q756 I832 F839	W654-E834 WeakPolarHBondContact CZ2-O 3.4Å; K752-E834 WeakPolarHBondContact CE-OE2 3.39Å; K752-E834 IonicContact NZ-OE1 3.13Å; K752-E834 PolarHBondContact NZ-OE1 3.21Å; K752-E834 IonicContact NZ-OE2 3.66Å; K752-E834 PolarHBondContact NZ-OE2 3.41Å; Q756-E834 PolarHBondContact NE2-O 3.49Å; Q756-E834 VanDerWaalsContact NE2-O 3.16Å; Q756-E834 PolarHBondContact NE2-OE2 3Å; I832-E834 HydrophobicContact CB-CG 4.19Å; I832-E834 HydrophobicContact CG2-CG 3.44Å; I832-E834 VanDerWaalsContact CG2-CG 3.44Å; I832-E834 PolarHBondContact O-N 2.61Å; E834-F839 HydrophobicContact CB-CE2 4.41Å; E834-F839 HydrophobicContact CB-CZ 4.35Å; E834-F839 HydrophobicContact CG-CE2 3.96Å; E834-F839 HydrophobicContact CG-CZ 4.04Å
835	H	61	Low	57.3	Low	11 Å²	11	83.9 Å²	83.9	5%	0.051	43%	0.427	C	S	.	.			trans	-78.2	-34.9	-179.9	-54.7	-56.4	0	0	0	113.4	I658 Y662 W821 L824	I658-H835 WeakPolarHBondContact CD1-CE1 3.48Å; I658-H835 WeakPolarHBondContact CD1-ND1 3.43Å; Y662-H835 AromaticContact CZ-NE2 3.81Å; Y662-H835 PolarHBondContact OH-NE2 3.21Å; W821-H835 AromaticContact CE3-CD2 3.72Å; W821-H835 AromaticContact CE3-CG 3.95Å; W821-H835 AromaticContact CE3-NE2 3.84Å; W821-H835 HydrophobicContact CZ3-CB 4.35Å; W821-H835 AromaticContact CZ3-CE1 3.9Å; W821-H835 AromaticContact CZ3-CG 3.81Å; W821-H835 AromaticContact CZ3-ND1 3.75Å; L824-H835 WeakPolarHBondContact CD1-CE1 3.42Å; L824-H835 WeakPolarHBondContact CD1-NE2 3.42Å
836	S	60	Low	59.2	Low	3 Å²	3	76.5 Å²	76.5	2%	0.021	40%	0.402	C	S	.	.			trans	-109.1	148	-175.3	62	0	0	0	0	111.1	E597 F838	E597-S836 VanDerWaalsContact OE1-CB 3.25Å; E597-S836 WeakPolarHBondContact OE1-CB 3.18Å; S836-F838 VanDerWaalsContact C-N 3.25Å; S836-F838 WeakPolarHBondContact CB-O 3.48Å; S836-F838 PolarHBondContact OG-O 3.04Å
837	I	55.6	Low	61.1	Low	53 Å²	53	69.9 Å²	69.9	27%	0.272	37%	0.371	S	S	.	.	S	Bend	trans	-71.3	-28.2	169.7	-65.1	167.1	0	0	0	109.8	M600 S601 I760	M600-I837 HydrophobicContact CB-CD1 4.17Å; M600-I837 HydrophobicContact CB-CG2 4.49Å; S601-I837 VanDerWaalsContact OG-CD1 3.28Å; S601-I837 WeakPolarHBondContact OG-CD1 3.3Å; I760-I837 HydrophobicContact CD1-CB 4.38Å; I760-I837 HydrophobicContact CD1-CD1 3.55Å; I760-I837 HydrophobicContact CD1-CG1 3.59Å
838	F	55	Low	63.2	Low	90 Å²	90	70.3 Å²	70.3	40%	0.395	37%	0.365	S	S	.	.			trans	-119.2	135.5	177.4	-70.8	-82.1	0	0	0	112.3	T596 E597 M600 S836	T596-F838 HydrophobicContact CG2-CD2 4.26Å; T596-F838 HydrophobicContact CG2-CE2 3.58Å; T596-F838 HydrophobicContact CG2-CZ 3.99Å; E597-F838 HydrophobicContact CG-CD2 4.44Å; M600-F838 HydrophobicContact CG-CE2 4.03Å; M600-F838 HydrophobicContact CG-CZ 4.48Å; S836-F838 VanDerWaalsContact C-N 3.25Å; S836-F838 WeakPolarHBondContact CB-O 3.48Å; S836-F838 PolarHBondContact OG-O 3.04Å
839	F	59.8	Low	65.2	Low	100 Å²	100	71 Å²	71	44%	0.439	36%	0.364	S	S	.	.			trans	-103	87.9	166.7	-72.7	-86.3	0	0	0	109.1	E834 N841	E834-F839 HydrophobicContact CB-CE2 4.41Å; E834-F839 HydrophobicContact CB-CZ 4.35Å; E834-F839 HydrophobicContact CG-CE2 3.96Å; E834-F839 HydrophobicContact CG-CZ 4.04Å; F839-N841 VanDerWaalsContact C-N 3.29Å; F839-N841 PolarHBondContact O-N 3.35Å; F839-N841 VanDerWaalsContact O-N 3.15Å
840	E	65	Low	67.1	Low	84 Å²	84	64.6 Å²	64.6	39%	0.393	32%	0.323	S	S	.	.			trans	-85.5	80.9	168.1	-159.7	170.3	-163.6	0	0	108.5	L593 D842 V843 R844	L593-E840 HydrophobicContact CD1-CB 3.85Å; L593-E840 WeakPolarHBondContact CD1-OE2 3.33Å; E840-D842 PolarHBondContact O-N 3.32Å; E840-V843 HydrophobicContact CG-CB 4.31Å; E840-V843 HydrophobicContact CG-CG2 3.86Å; E840-V843 PolarHBondContact O-N 2.97Å; E840-R844 PolarHBondContact O-N 2.86Å; E840-R844 VanDerWaalsContact O-N 3.12Å
841	N	69.7	Low	68.8	Low	82 Å²	82	60 Å²	60	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-32.6	-174.1	-77.7	-21.2	0	0	0	112.1	F839 R844 N845	F839-N841 VanDerWaalsContact C-N 3.29Å; F839-N841 PolarHBondContact O-N 3.35Å; F839-N841 VanDerWaalsContact O-N 3.15Å; N841-R844 PolarHBondContact O-N 3.29Å; N841-N845 WeakPolarHBondContact O-CB 3.36Å; N841-N845 PolarHBondContact O-N 3.48Å; N841-N845 PolarHBondContact O-ND2 2.96Å; N841-N845 VanDerWaalsContact O-ND2 3.1Å
842	D	76.6	Confident	70.3	Confident	125 Å²	125	59.2 Å²	59.2	67%	0.668	30%	0.299	S	S	*	.	H	α-helix	trans	-64.1	-49.6	-179.2	-61.7	-20.5	0	0	0	111.8	E840 R844 N845 E846	E840-D842 PolarHBondContact O-N 3.32Å; D842-R844 VanDerWaalsContact C-N 3.33Å; D842-R844 PolarHBondContact O-N 3.28Å; D842-N845 PolarHBondContact O-N 2.93Å; D842-E846 WeakPolarHBondContact O-CB 3.27Å; D842-E846 PolarHBondContact O-N 2.95Å
843	V	83.3	Confident	71.5	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-40.6	177.2	178.6	0	0	0	0	110.7	L586 K589 L590 Y818 E840 E846 I847	L586-V843 HydrophobicContact CD1-CG1 3.95Å; K589-V843 HydrophobicContact CB-CG2 4.29Å; K589-V843 HydrophobicContact CD-CG2 3.82Å; L590-V843 HydrophobicContact CD2-CG1 4.02Å; L590-V843 HydrophobicContact CG-CG1 4.49Å; Y818-V843 HydrophobicContact CD2-CG1 4.18Å; Y818-V843 HydrophobicContact CE2-CB 4.36Å; Y818-V843 HydrophobicContact CE2-CG1 4.12Å; E840-V843 HydrophobicContact CG-CB 4.31Å; E840-V843 HydrophobicContact CG-CG2 3.86Å; E840-V843 PolarHBondContact O-N 2.97Å; V843-E846 PolarHBondContact O-N 2.92Å; V843-I847 HydrophobicContact CG1-CD1 4.1Å; V843-I847 WeakPolarHBondContact O-CG1 3.42Å; V843-I847 PolarHBondContact O-N 2.67Å
844	R	81.8	Confident	72.8	Confident	7 Å²	7	61 Å²	61	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-43.6	176.5	-173.5	174.8	-171.4	174.8	4.4	111.8	Y818 W821 P822 E840 N841 D842 I847 K848	Y818-R844 HydrophobicContact CD1-CB 4.34Å; Y818-R844 HydrophobicContact CD1-CG 4.09Å; Y818-R844 HydrophobicContact CD2-CB 3.87Å; Y818-R844 HydrophobicContact CD2-CG 4.31Å; Y818-R844 HydrophobicContact CE2-CB 4.1Å; Y818-R844 HydrophobicContact CG-CB 4Å; Y818-R844 HydrophobicContact CG-CG 3.92Å; W821-R844 PolarHBondContact O-NH2 2.03Å; P822-R844 PolarHBondContact O-NH2 2.9Å; E840-R844 PolarHBondContact O-N 2.86Å; E840-R844 VanDerWaalsContact O-N 3.12Å; N841-R844 PolarHBondContact O-N 3.29Å; D842-R844 VanDerWaalsContact C-N 3.33Å; D842-R844 PolarHBondContact O-N 3.28Å; R844-I847 PolarHBondContact O-N 2.76Å; R844-K848 WeakPolarHBondContact O-CB 3.14Å; R844-K848 PolarHBondContact O-N 2.75Å
845	N	81.3	Confident	74	Confident	63 Å²	63	61 Å²	61	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-43.6	178.5	-71.5	-23.3	0	0	0	110.8	N841 D842 I847 K848 Q849	N841-N845 WeakPolarHBondContact O-CB 3.36Å; N841-N845 PolarHBondContact O-N 3.48Å; N841-N845 PolarHBondContact O-ND2 2.96Å; N841-N845 VanDerWaalsContact O-ND2 3.1Å; D842-N845 PolarHBondContact O-N 2.93Å; N845-I847 VanDerWaalsContact C-N 3.35Å; N845-I847 PolarHBondContact O-N 2.86Å; N845-K848 PolarHBondContact O-N 2.81Å; N845-Q849 WeakPolarHBondContact O-CB 3.47Å; N845-Q849 VanDerWaalsContact O-CG 3.29Å; N845-Q849 WeakPolarHBondContact O-CG 3.44Å; N845-Q849 PolarHBondContact O-N 3.16Å
846	E	84.6	Confident	75.1	Confident	51 Å²	51	60.8 Å²	60.8	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-57.1	-46	174.9	-169.5	-176.9	151.9	0	0	111.4	H582 K589 D842 V843 M850	H582-E846 IonicContact CE1-OE1 3.88Å; H582-E846 PolarHBondContact CE1-OE1 3.48Å; H582-E846 IonicContact ND1-OE1 3.18Å; H582-E846 IonicContact NE2-OE1 2.64Å; H582-E846 PolarHBondContact NE2-OE1 3.11Å; K589-E846 IonicContact NZ-OE2 2.69Å; K589-E846 PolarHBondContact NZ-OE2 2.85Å; D842-E846 WeakPolarHBondContact O-CB 3.27Å; D842-E846 PolarHBondContact O-N 2.95Å; V843-E846 PolarHBondContact O-N 2.92Å; E846-M850 PolarHBondContact O-N 3.47Å
847	I	86.6	Confident	76.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-43	177.4	-69.7	177.3	0	0	0	111.9	L586 L590 F815 Y818 Y819 V843 R844 N845 Q849 M850	L586-I847 HydrophobicContact CD1-CD1 4.35Å; L586-I847 HydrophobicContact CD1-CG1 4.16Å; L586-I847 HydrophobicContact CD2-CG1 4.08Å; L590-I847 HydrophobicContact CD1-CD1 3.92Å; L590-I847 HydrophobicContact CD2-CD1 3.88Å; L590-I847 HydrophobicContact CG-CD1 4.28Å; F815-I847 HydrophobicContact CD2-CD1 4.22Å; F815-I847 HydrophobicContact CD2-CG2 3.9Å; F815-I847 HydrophobicContact CE2-CG2 3.83Å; Y818-I847 HydrophobicContact CD2-CD1 4.07Å; Y819-I847 HydrophobicContact CD2-CG2 3.94Å; Y819-I847 WeakPolarHBondContact CD2-O 2.99Å; Y819-I847 HydrophobicContact CG-CG2 4.4Å; V843-I847 HydrophobicContact CG1-CD1 4.1Å; V843-I847 WeakPolarHBondContact O-CG1 3.42Å; V843-I847 PolarHBondContact O-N 2.67Å; R844-I847 PolarHBondContact O-N 2.76Å; N845-I847 VanDerWaalsContact C-N 3.35Å; N845-I847 PolarHBondContact O-N 2.86Å; I847-Q849 VanDerWaalsContact C-N 3.32Å; I847-Q849 PolarHBondContact O-N 2.93Å; I847-M850 WeakPolarHBondContact O-CB 3.29Å; I847-M850 PolarHBondContact O-N 2.87Å; I847-M850 VanDerWaalsContact O-N 3.14Å
848	K	82.3	Confident	77.9	Confident	110 Å²	110	67.9 Å²	67.9	48%	0.478	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-31.1	-177.1	-170.1	178.5	-179.3	-175.8	0	112.7	R844 N845 M850	R844-K848 WeakPolarHBondContact O-CB 3.14Å; R844-K848 PolarHBondContact O-N 2.75Å; N845-K848 PolarHBondContact O-N 2.81Å; K848-M850 VanDerWaalsContact C-N 3.29Å
849	Q	81.8	Confident	79.3	Confident	156 Å²	156	66.7 Å²	66.7	73%	0.729	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.8	175.5	-67.1	176.9	2	0	0	112.9	N845 I847 P851	N845-Q849 WeakPolarHBondContact O-CB 3.47Å; N845-Q849 VanDerWaalsContact O-CG 3.29Å; N845-Q849 WeakPolarHBondContact O-CG 3.44Å; N845-Q849 PolarHBondContact O-N 3.16Å; I847-Q849 VanDerWaalsContact C-N 3.32Å; I847-Q849 PolarHBondContact O-N 2.93Å; Q849-P851 WeakPolarHBondContact O-CD 3.22Å
850	M	83.3	Confident	80.7	Confident	17 Å²	17	62.3 Å²	62.3	8%	0.084	31%	0.314	C	S	.	.			trans	-66.3	119.8	-177.7	-170.3	178.5	-70.4	0	0	110.7	L586 E846 I847 K848 S854 C856 Y857	L586-M850 HydrophobicContact CD2-CE 3.36Å; E846-M850 PolarHBondContact O-N 3.47Å; I847-M850 WeakPolarHBondContact O-CB 3.29Å; I847-M850 PolarHBondContact O-N 2.87Å; I847-M850 VanDerWaalsContact O-N 3.14Å; K848-M850 VanDerWaalsContact C-N 3.29Å; M850-S854 WeakPolarHBondContact CG-OG 3.37Å; M850-C856 HydrophobicContact CE-CB 3.68Å; M850-C856 HydrophobicContact SD-CB 3.69Å; M850-Y857 VanDerWaalsContact SD-CA 3.59Å; M850-Y857 PolarHBondContact SD-N 2.6Å
851	P	77.6	Confident	81.7	Confident	73 Å²	73	59.3 Å²	59.3	47%	0.474	30%	0.3	S	S	.	.			trans	-74.8	148.3	-177.7	29.2	-31.5	0	0	0	110.6	Q849 N853 S854 Y857	Q849-P851 WeakPolarHBondContact O-CD 3.22Å; P851-N853 WeakPolarHBondContact CB-OD1 3.16Å; P851-N853 PolarHBondContact O-N 2.84Å; P851-N853 VanDerWaalsContact O-N 3.16Å; P851-S854 WeakPolarHBondContact O-CB 3.14Å; P851-S854 PolarHBondContact O-N 3.29Å; P851-S854 PolarHBondContact O-OG 3.08Å; P851-Y857 WeakPolarHBondContact O-CB 3.4Å
852	S	77	Confident	82.3	Confident	79 Å²	79	64.3 Å²	64.3	55%	0.552	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.1	-176.7	60.2	0	0	0	0	113.7	Y857	S852-Y857 WeakPolarHBondContact O-CD1 3.07Å
853	N	75	Confident	82.7	Confident	110 Å²	110	61 Å²	61	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.6	174	67.2	-3.6	0	0	0	113.4	P851	P851-N853 WeakPolarHBondContact CB-OD1 3.16Å; P851-N853 PolarHBondContact O-N 2.84Å; P851-N853 VanDerWaalsContact O-N 3.16Å
854	S	78.1	Confident	82.8	Confident	24 Å²	24	61.9 Å²	61.9	17%	0.168	30%	0.298	C	S	.	.	S	Bend	trans	-65.5	149.9	179.1	70.5	0	0	0	0	111.8	M850 P851 C856 Y857 R858	M850-S854 WeakPolarHBondContact CG-OG 3.37Å; P851-S854 WeakPolarHBondContact O-CB 3.14Å; P851-S854 PolarHBondContact O-N 3.29Å; P851-S854 PolarHBondContact O-OG 3.08Å; S854-C856 VanDerWaalsContact C-N 3.34Å; S854-C856 PolarHBondContact O-N 3.19Å; S854-Y857 PolarHBondContact O-N 2.91Å; S854-Y857 WeakPolarHBondContact OG-CB 3.05Å; S854-Y857 PolarHBondContact OG-N 2.98Å; S854-Y857 VanDerWaalsContact OG-N 3.14Å; S854-R858 WeakPolarHBondContact O-CG 3.3Å; S854-R858 PolarHBondContact O-N 2.84Å
855	M	78.5	Confident	82.8	Confident	42 Å²	42	66.3 Å²	66.3	21%	0.207	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-43.9	176.6	-172.9	-180	-168.8	0	0	111.7	H576 K579 L580 Y857 R858 L859	H576-M855 WeakPolarHBondContact CE1-CE 3.29Å; H576-M855 WeakPolarHBondContact NE2-CE 3.42Å; K579-M855 HydrophobicContact CB-SD 4.09Å; L580-M855 HydrophobicContact CD1-CE 4.06Å; L580-M855 HydrophobicContact CD2-CE 3.21Å; L580-M855 HydrophobicContact CD2-SD 3.96Å; L580-M855 HydrophobicContact CG-CE 3.45Å; L580-M855 VanDerWaalsContact CG-CE 3.45Å; L580-M855 HydrophobicContact CG-SD 3.82Å; M855-Y857 PolarHBondContact O-N 3.36Å; M855-R858 PolarHBondContact O-N 2.83Å; M855-L859 HydrophobicContact CE-CD1 4.23Å; M855-L859 HydrophobicContact CG-CD1 4.1Å; M855-L859 WeakPolarHBondContact O-CG 3.43Å; M855-L859 PolarHBondContact O-N 2.94Å
856	C	84.9	Confident	82.7	Confident	7 Å²	7	68.6 Å²	68.6	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-44.8	-180	-55.7	0	0	0	0	111.1	C583 M850 S854 R858 L859 F860	C583-C856 WeakPolarHBondContact CA-SG 3.3Å; C583-C856 HydrophobicContact CB-CB 3.94Å; C583-C856 WeakPolarHBondContact CB-SG 3.25Å; C583-C856 WeakPolarHBondContact SG-CA 3.42Å; C583-C856 WeakPolarHBondContact SG-CB 3.47Å; C583-C856 PolarHBondContact SG-N 2.98Å; C583-C856 CovalentContact SG-SG 2.04Å; C583-C856 PolarHBondContact SG-SG 2.85Å; M850-C856 HydrophobicContact CE-CB 3.68Å; M850-C856 HydrophobicContact SD-CB 3.69Å; S854-C856 VanDerWaalsContact C-N 3.34Å; S854-C856 PolarHBondContact O-N 3.19Å; C856-R858 VanDerWaalsContact C-N 3.34Å; C856-R858 PolarHBondContact O-N 3.32Å; C856-L859 PolarHBondContact O-N 3.32Å; C856-L859 VanDerWaalsContact O-N 3.15Å; C856-F860 HydrophobicContact CB-CD2 4.25Å; C856-F860 HydrophobicContact CB-CE2 4.34Å; C856-F860 WeakPolarHBondContact O-CD2 3.47Å; C856-F860 PolarHBondContact O-N 3.13Å
857	Y	88.8	Confident	82.4	Confident	43 Å²	43	67.2 Å²	67.2	17%	0.169	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-48	177.6	177.1	-95.5	0	0	0	111.5	F815 Y819 M850 P851 S852 S854 M855 L859 F860 M861	F815-Y857 HydrophobicContact CZ-CD2 4.28Å; Y819-Y857 HydrophobicContact CD1-CE2 4.39Å; Y819-Y857 HydrophobicContact CD2-CD2 4.43Å; Y819-Y857 HydrophobicContact CD2-CE2 4.41Å; Y819-Y857 AromaticContact CE1-CE2 3.7Å; Y819-Y857 HydrophobicContact CE1-CE2 3.7Å; Y819-Y857 AromaticContact CE2-CD2 3.75Å; Y819-Y857 HydrophobicContact CE2-CD2 3.75Å; Y819-Y857 AromaticContact CE2-CE2 3.71Å; Y819-Y857 HydrophobicContact CE2-CE2 3.71Å; Y819-Y857 AromaticContact CZ-CD2 3.83Å; Y819-Y857 AromaticContact CZ-CE2 3.31Å; Y819-Y857 WeakPolarHBondContact OH-CE2 3.4Å; M850-Y857 VanDerWaalsContact SD-CA 3.59Å; M850-Y857 PolarHBondContact SD-N 2.6Å; P851-Y857 WeakPolarHBondContact O-CB 3.4Å; S852-Y857 WeakPolarHBondContact O-CD1 3.07Å; S854-Y857 PolarHBondContact O-N 2.91Å; S854-Y857 WeakPolarHBondContact OG-CB 3.05Å; S854-Y857 PolarHBondContact OG-N 2.98Å; S854-Y857 VanDerWaalsContact OG-N 3.14Å; M855-Y857 PolarHBondContact O-N 3.36Å; Y857-L859 VanDerWaalsContact C-N 3.32Å; Y857-L859 PolarHBondContact O-N 3.37Å; Y857-F860 PolarHBondContact O-N 3.06Å; Y857-M861 HydrophobicContact CD1-CG 3.94Å; Y857-M861 HydrophobicContact CD2-CG 3.88Å; Y857-M861 HydrophobicContact CE1-CB 4.44Å; Y857-M861 HydrophobicContact CE1-CG 3.58Å; Y857-M861 HydrophobicContact CE2-CG 3.46Å; Y857-M861 VanDerWaalsContact CE2-CG 3.46Å; Y857-M861 HydrophobicContact CE2-SD 3.93Å; Y857-M861 HydrophobicContact CG-CG 4.1Å; Y857-M861 WeakPolarHBondContact O-CB 3.27Å; Y857-M861 VanDerWaalsContact O-CG 3.26Å; Y857-M861 WeakPolarHBondContact O-CG 3Å; Y857-M861 PolarHBondContact O-N 2.95Å
858	R	84.3	Confident	81.8	Confident	162 Å²	162	70.7 Å²	70.7	61%	0.611	33%	0.331	S	S	*	.	H	α-helix	trans	-60.6	-41.2	178.5	-67.2	-179.8	-169.9	-180	4.5	112.1	S854 M855 C856 R862	S854-R858 WeakPolarHBondContact O-CG 3.3Å; S854-R858 PolarHBondContact O-N 2.84Å; M855-R858 PolarHBondContact O-N 2.83Å; C856-R858 VanDerWaalsContact C-N 3.34Å; C856-R858 PolarHBondContact O-N 3.32Å; R858-R862 VanDerWaalsContact O-CB 3.23Å; R858-R862 WeakPolarHBondContact O-CB 3.22Å; R858-R862 PolarHBondContact O-N 3.13Å
859	L	84.6	Confident	81.2	Confident	65 Å²	65	70.4 Å²	70.4	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-65.4	-49.6	177	-73.1	170.2	0	0	0	112	L580 C583 M855 C856 Y857 R862 N863	L580-L859 HydrophobicContact CD2-CD1 3.99Å; C583-L859 HydrophobicContact CB-CD1 4.28Å; M855-L859 HydrophobicContact CE-CD1 4.23Å; M855-L859 HydrophobicContact CG-CD1 4.1Å; M855-L859 WeakPolarHBondContact O-CG 3.43Å; M855-L859 PolarHBondContact O-N 2.94Å; C856-L859 PolarHBondContact O-N 3.32Å; C856-L859 VanDerWaalsContact O-N 3.15Å; Y857-L859 VanDerWaalsContact C-N 3.32Å; Y857-L859 PolarHBondContact O-N 3.37Å; L859-R862 PolarHBondContact O-N 3.33Å; L859-N863 PolarHBondContact O-N 2.93Å
860	F	89.8	Confident	80.6	Confident	7 Å²	7	67.8 Å²	67.8	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-45	179	-80.9	-75.7	0	0	0	111.8	L586 K587 L590 V811 Y812 F815 C856 Y857 R862 N863 W864	L586-F860 HydrophobicContact CD2-CE2 3.96Å; L586-F860 HydrophobicContact CD2-CZ 4.42Å; L586-F860 HydrophobicContact CG-CE2 4.33Å; L586-F860 HydrophobicContact CG-CZ 4.32Å; K587-F860 HydrophobicContact CB-CE1 4.44Å; K587-F860 HydrophobicContact CB-CZ 4.03Å; L590-F860 HydrophobicContact CD1-CE1 3.78Å; L590-F860 HydrophobicContact CD1-CZ 4.06Å; V811-F860 HydrophobicContact CG1-CE1 4.41Å; Y812-F860 AromaticContact CD1-CD1 3.87Å; Y812-F860 HydrophobicContact CD1-CD1 3.87Å; Y812-F860 AromaticContact CE1-CD1 3.54Å; Y812-F860 HydrophobicContact CE1-CD1 3.54Å; Y812-F860 HydrophobicContact CE1-CE1 4.13Å; Y812-F860 HydrophobicContact CE1-CG 4.41Å; F815-F860 HydrophobicContact CB-CD1 4.22Å; F815-F860 HydrophobicContact CD1-CB 3.98Å; F815-F860 HydrophobicContact CD2-CB 3.8Å; F815-F860 AromaticContact CD2-CD1 3.87Å; F815-F860 HydrophobicContact CD2-CD1 3.87Å; F815-F860 HydrophobicContact CD2-CD2 4.29Å; F815-F860 AromaticContact CD2-CG 3.74Å; F815-F860 HydrophobicContact CD2-CG 3.74Å; F815-F860 HydrophobicContact CE1-CB 3.8Å; F815-F860 HydrophobicContact CE2-CB 3.6Å; F815-F860 HydrophobicContact CE2-CD1 4.46Å; F815-F860 HydrophobicContact CE2-CD2 4.22Å; F815-F860 AromaticContact CE2-CG 3.87Å; F815-F860 HydrophobicContact CE2-CG 3.87Å; F815-F860 HydrophobicContact CG-CB 3.99Å; F815-F860 AromaticContact CG-CD1 4Å; F815-F860 HydrophobicContact CG-CD1 4Å; F815-F860 HydrophobicContact CG-CG 4.15Å; F815-F860 HydrophobicContact CZ-CB 3.61Å; F815-F860 HydrophobicContact CZ-CG 4.38Å; C856-F860 HydrophobicContact CB-CD2 4.25Å; C856-F860 HydrophobicContact CB-CE2 4.34Å; C856-F860 WeakPolarHBondContact O-CD2 3.47Å; C856-F860 PolarHBondContact O-N 3.13Å; Y857-F860 PolarHBondContact O-N 3.06Å; F860-R862 PolarHBondContact O-N 2.76Å; F860-N863 PolarHBondContact O-N 3.12Å; F860-W864 VanDerWaalsContact O-CB 3.27Å; F860-W864 WeakPolarHBondContact O-CB 3.32Å; F860-W864 PolarHBondContact O-N 2.64Å
861	M	85	Confident	79.8	Confident	21 Å²	21	68.5 Å²	68.5	10%	0.103	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-38.5	178.4	-75.7	-59.4	-63.4	0	0	113.1	F815 F820 Y857 N863 W864 K865	F815-M861 HydrophobicContact CE1-CG 4.36Å; F815-M861 HydrophobicContact CE1-SD 3.82Å; F815-M861 HydrophobicContact CZ-SD 4.44Å; F820-M861 HydrophobicContact CE2-SD 4.15Å; F820-M861 HydrophobicContact CZ-CE 3.95Å; F820-M861 HydrophobicContact CZ-SD 3.79Å; Y857-M861 HydrophobicContact CD1-CG 3.94Å; Y857-M861 HydrophobicContact CD2-CG 3.88Å; Y857-M861 HydrophobicContact CE1-CB 4.44Å; Y857-M861 HydrophobicContact CE1-CG 3.58Å; Y857-M861 HydrophobicContact CE2-CG 3.46Å; Y857-M861 VanDerWaalsContact CE2-CG 3.46Å; Y857-M861 HydrophobicContact CE2-SD 3.93Å; Y857-M861 HydrophobicContact CG-CG 4.1Å; Y857-M861 WeakPolarHBondContact O-CB 3.27Å; Y857-M861 VanDerWaalsContact O-CG 3.26Å; Y857-M861 WeakPolarHBondContact O-CG 3Å; Y857-M861 PolarHBondContact O-N 2.95Å; M861-N863 VanDerWaalsContact C-N 3.35Å; M861-W864 HydrophobicContact CE-CE3 3.65Å; M861-W864 HydrophobicContact CE-CZ3 3.73Å; M861-W864 PolarHBondContact O-N 3Å; M861-W864 HydrophobicContact SD-CE3 4.22Å; M861-K865 WeakPolarHBondContact O-CB 3.4Å; M861-K865 VanDerWaalsContact O-CG 3.3Å; M861-K865 WeakPolarHBondContact O-CG 3.39Å; M861-K865 PolarHBondContact O-N 3.42Å
862	R	84.2	Confident	79	Confident	188 Å²	188	66 Å²	66	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-59.2	-48	176.3	-179.8	-179.8	179.4	-178.4	-0.2	110.8	R858 L859 F860 K865 F866	R858-R862 VanDerWaalsContact O-CB 3.23Å; R858-R862 WeakPolarHBondContact O-CB 3.22Å; R858-R862 PolarHBondContact O-N 3.13Å; L859-R862 PolarHBondContact O-N 3.33Å; F860-R862 PolarHBondContact O-N 2.76Å; R862-K865 PolarHBondContact O-N 3.1Å; R862-F866 PolarHBondContact O-N 3.16Å; R862-F866 VanDerWaalsContact O-N 3.15Å
863	N	84.9	Confident	78	Confident	56 Å²	56	65.3 Å²	65.3	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-73.9	-36.8	-178.6	-67.5	-4.2	0	0	0	111.9	Y812 L859 F860 M861 K865 F866 Y867	Y812-N863 HydrophobicContact CD1-CB 3.89Å; Y812-N863 HydrophobicContact CD2-CB 4.14Å; Y812-N863 HydrophobicContact CE1-CB 3.45Å; Y812-N863 VanDerWaalsContact CE1-CB 3.45Å; Y812-N863 HydrophobicContact CE2-CB 3.7Å; Y812-N863 HydrophobicContact CG-CB 4.25Å; Y812-N863 PolarHBondContact OH-ND2 3.32Å; L859-N863 PolarHBondContact O-N 2.93Å; F860-N863 PolarHBondContact O-N 3.12Å; M861-N863 VanDerWaalsContact C-N 3.35Å; N863-K865 PolarHBondContact O-N 3.34Å; N863-F866 WeakPolarHBondContact O-CB 3.21Å; N863-F866 PolarHBondContact O-N 3.48Å; N863-Y867 WeakPolarHBondContact O-CD2 3.37Å; N863-Y867 PolarHBondContact O-N 3.05Å
864	W	84.9	Confident	77	Confident	19 Å²	19	70.9 Å²	70.9	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-44.4	171.9	174.8	82.2	0	0	0	112.1	E816 F820 F860 M861 F866 Y867 R868	E816-W864 HydrophobicContact CG-CZ2 4.25Å; E816-W864 PolarHBondContact OE2-NE1 3.14Å; F820-W864 HydrophobicContact CE2-CZ2 4.45Å; F860-W864 VanDerWaalsContact O-CB 3.27Å; F860-W864 WeakPolarHBondContact O-CB 3.32Å; F860-W864 PolarHBondContact O-N 2.64Å; M861-W864 HydrophobicContact CE-CE3 3.65Å; M861-W864 HydrophobicContact CE-CZ3 3.73Å; M861-W864 PolarHBondContact O-N 3Å; M861-W864 HydrophobicContact SD-CE3 4.22Å; W864-F866 VanDerWaalsContact C-N 3.33Å; W864-F866 PolarHBondContact O-N 3.19Å; W864-Y867 PolarHBondContact O-N 3.44Å; W864-R868 WeakPolarHBondContact O-CB 2.9Å; W864-R868 PolarHBondContact O-N 3.15Å
865	K	80.8	Confident	75.7	Confident	99 Å²	99	73.4 Å²	73.4	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-43.1	174.7	-77.4	-178.8	-179.7	-172.2	0	111.8	M861 R862 N863 Y867 R868 E869	M861-K865 WeakPolarHBondContact O-CB 3.4Å; M861-K865 VanDerWaalsContact O-CG 3.3Å; M861-K865 WeakPolarHBondContact O-CG 3.39Å; M861-K865 PolarHBondContact O-N 3.42Å; R862-K865 PolarHBondContact O-N 3.1Å; N863-K865 PolarHBondContact O-N 3.34Å; K865-Y867 PolarHBondContact O-N 3.42Å; K865-R868 WeakPolarHBondContact O-CB 3.42Å; K865-R868 PolarHBondContact O-N 3.14Å; K865-E869 WeakPolarHBondContact O-CG 3.47Å; K865-E869 PolarHBondContact O-N 2.72Å
866	F	80.6	Confident	74.5	Confident	111 Å²	111	72.1 Å²	72.1	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-46.3	175.4	171.4	-95.3	0	0	0	112.4	R862 N863 W864 E869 N870	R862-F866 PolarHBondContact O-N 3.16Å; R862-F866 VanDerWaalsContact O-N 3.15Å; N863-F866 WeakPolarHBondContact O-CB 3.21Å; N863-F866 PolarHBondContact O-N 3.48Å; W864-F866 VanDerWaalsContact C-N 3.33Å; W864-F866 PolarHBondContact O-N 3.19Å; F866-E869 PolarHBondContact O-N 2.84Å; F866-N870 VanDerWaalsContact CE1-ND2 3.31Å; F866-N870 WeakPolarHBondContact CE1-ND2 3.12Å; F866-N870 VanDerWaalsContact CE2-ND2 3.35Å; F866-N870 WeakPolarHBondContact CE2-ND2 3.2Å; F866-N870 WeakPolarHBondContact CZ-ND2 3.43Å; F866-N870 PolarHBondContact O-N 3.04Å; F866-N870 PolarHBondContact O-ND2 3.08Å; F866-N870 VanDerWaalsContact O-ND2 3.11Å
867	Y	78	Confident	72.9	Confident	22 Å²	22	76 Å²	76	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-39	176.5	-74.8	-68.4	0	0	0	112.3	D808 R809 Y812 N863 W864 K865 E869 N870 D871	D808-Y867 PolarHBondContact OD2-OH 3.05Å; R809-Y867 HydrophobicContact CB-CD1 3.97Å; R809-Y867 HydrophobicContact CB-CE1 3.63Å; R809-Y867 HydrophobicContact CG-CD1 3.76Å; R809-Y867 HydrophobicContact CG-CE1 3.96Å; R809-Y867 HydrophobicContact CG-CG 4.3Å; Y812-Y867 AromaticContact CD2-CD2 3.57Å; Y812-Y867 HydrophobicContact CD2-CD2 3.57Å; Y812-Y867 AromaticContact CD2-CE2 3.3Å; Y812-Y867 HydrophobicContact CD2-CE2 3.3Å; Y812-Y867 HydrophobicContact CE2-CD2 4.37Å; Y812-Y867 AromaticContact CE2-CE2 3.74Å; Y812-Y867 HydrophobicContact CE2-CE2 3.74Å; Y812-Y867 HydrophobicContact CG-CD2 4.14Å; Y812-Y867 HydrophobicContact CG-CE2 4.29Å; N863-Y867 WeakPolarHBondContact O-CD2 3.37Å; N863-Y867 PolarHBondContact O-N 3.05Å; W864-Y867 PolarHBondContact O-N 3.44Å; K865-Y867 PolarHBondContact O-N 3.42Å; Y867-E869 VanDerWaalsContact C-N 3.33Å; Y867-E869 PolarHBondContact O-N 3.44Å; Y867-N870 PolarHBondContact O-N 2.94Å; Y867-D871 VanDerWaalsContact O-CB 3.28Å; Y867-D871 WeakPolarHBondContact O-CB 3.06Å; Y867-D871 PolarHBondContact O-N 3.08Å
868	R	72.7	Confident	70.8	Confident	73 Å²	73	85.9 Å²	85.9	28%	0.275	40%	0.395	S	S	.	.	H	α-helix	trans	-58.9	-44.3	174.9	-170	-174.2	70	169.3	7.9	111.6	L677 W864 K865 N870 S872	L677-R868 HydrophobicContact CD1-CB 4.37Å; L677-R868 HydrophobicContact CD2-CB 4.44Å; L677-R868 HydrophobicContact CG-CB 4.24Å; W864-R868 WeakPolarHBondContact O-CB 2.9Å; W864-R868 PolarHBondContact O-N 3.15Å; K865-R868 WeakPolarHBondContact O-CB 3.42Å; K865-R868 PolarHBondContact O-N 3.14Å; R868-N870 VanDerWaalsContact C-N 3.33Å; R868-N870 PolarHBondContact O-N 3.38Å; R868-S872 WeakPolarHBondContact O-CB 3.47Å; R868-S872 PolarHBondContact O-N 2.94Å; R868-S872 PolarHBondContact O-OG 3.4Å
869	E	71.4	Confident	70.2	Confident	104 Å²	104	82.1 Å²	82.1	49%	0.486	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-35.8	179.5	-73.7	167.8	-166.5	0	0	112.6	K865 F866 Y867 L877	K865-E869 WeakPolarHBondContact O-CG 3.47Å; K865-E869 PolarHBondContact O-N 2.72Å; F866-E869 PolarHBondContact O-N 2.84Å; Y867-E869 VanDerWaalsContact C-N 3.33Å; Y867-E869 PolarHBondContact O-N 3.44Å; E869-L877 HydrophobicContact CB-CD2 3.93Å; E869-L877 HydrophobicContact CG-CD2 3.88Å
870	N	68.9	Low	69.4	Low	101 Å²	101	82.9 Å²	82.9	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-80.2	-33	-179.6	-70.3	-32.6	0	0	0	113.7	F866 Y867 R868	F866-N870 VanDerWaalsContact CE1-ND2 3.31Å; F866-N870 WeakPolarHBondContact CE1-ND2 3.12Å; F866-N870 VanDerWaalsContact CE2-ND2 3.35Å; F866-N870 WeakPolarHBondContact CE2-ND2 3.2Å; F866-N870 WeakPolarHBondContact CZ-ND2 3.43Å; F866-N870 PolarHBondContact O-N 3.04Å; F866-N870 PolarHBondContact O-ND2 3.08Å; F866-N870 VanDerWaalsContact O-ND2 3.11Å; Y867-N870 PolarHBondContact O-N 2.94Å; R868-N870 VanDerWaalsContact C-N 3.33Å; R868-N870 PolarHBondContact O-N 3.38Å
871	D	65	Low	68.3	Low	32 Å²	32	87.2 Å²	87.2	17%	0.171	41%	0.406	C	S	.	.	H	α-helix	trans	-97.9	-25.5	-173	-71.7	-10.3	0	0	0	113.6	L677 K680 R809 Y867	L677-D871 HydrophobicContact CD2-CB 3.53Å; K680-D871 WeakPolarHBondContact CE-O 3.23Å; K680-D871 PolarHBondContact NZ-O 2.85Å; R809-D871 IonicContact CZ-OD2 3.47Å; R809-D871 IonicContact NE-OD1 2.63Å; R809-D871 IonicContact NE-OD2 3.44Å; R809-D871 PolarHBondContact NE-OD2 2.96Å; R809-D871 IonicContact NH2-OD2 2.95Å; R809-D871 PolarHBondContact NH2-OD2 3.47Å; Y867-D871 VanDerWaalsContact O-CB 3.28Å; Y867-D871 WeakPolarHBondContact O-CB 3.06Å; Y867-D871 PolarHBondContact O-N 3.08Å
872	S	61.5	Low	67.3	Low	22 Å²	22	91.1 Å²	91.1	15%	0.154	42%	0.424	C	S	.	.	S	Bend	trans	-79.9	151.9	-176.4	-63.8	0	0	0	0	111.9	C675 R868	C675-S872 PolarHBondContact O-OG 3.28Å; R868-S872 WeakPolarHBondContact O-CB 3.47Å; R868-S872 PolarHBondContact O-N 2.94Å; R868-S872 PolarHBondContact O-OG 3.4Å
873	S	55.7	Low	66.2	Low	63 Å²	63	85 Å²	85	44%	0.441	41%	0.406	S	S	.	.			trans	-59.2	152.9	172.1	50	0	0	0	0	110.4	S875 C876	S873-S875 WeakPolarHBondContact CB-OG 3.5Å; S873-S875 PolarHBondContact O-N 2.89Å; S873-S875 PolarHBondContact OG-OG 3.35Å; S873-C876 WeakPolarHBondContact O-CB 3.43Å; S873-C876 PolarHBondContact O-N 2.76Å
874	R	55.3	Low	65	Low	227 Å²	227	86.9 Å²	86.9	86%	0.857	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-54.8	-25.3	177.6	-74.6	-175.7	179.4	179	0	113.4	C876 L877	R874-C876 PolarHBondContact O-N 3.39Å; R874-L877 HydrophobicContact CG-CD1 4.38Å; R874-L877 PolarHBondContact O-N 3.33Å
875	S	50.4	Low	63.6	Low	77 Å²	77	91.8 Å²	91.8	54%	0.538	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-62.6	-23.9	174.1	48.9	0	0	0	0	113.7	S873	S873-S875 WeakPolarHBondContact CB-OG 3.5Å; S873-S875 PolarHBondContact O-N 2.89Å; S873-S875 PolarHBondContact OG-OG 3.35Å
876	C	52.6	Low	62.2	Low	15 Å²	15	91.2 Å²	91.2	10%	0.101	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-97.7	0.9	-176.5	-76.8	0	0	0	0	114.9	C675 S873 R874	C675-C876 WeakPolarHBondContact CA-SG 3.5Å; C675-C876 HydrophobicContact CB-CB 3.4Å; C675-C876 WeakPolarHBondContact CB-SG 3.44Å; C675-C876 WeakPolarHBondContact SG-CA 3.42Å; C675-C876 WeakPolarHBondContact SG-CB 3.41Å; C675-C876 CovalentContact SG-SG 2.03Å; C675-C876 PolarHBondContact SG-SG 3.34Å; S873-C876 WeakPolarHBondContact O-CB 3.43Å; S873-C876 PolarHBondContact O-N 2.76Å; R874-C876 PolarHBondContact O-N 3.39Å
877	L	52	Low	60.7	Low	90 Å²	90	89.6 Å²	89.6	47%	0.471	43%	0.434	S	S	.	.			trans	-87.1	-20.7	178.2	-66.4	174.6	0	0	0	112.7	E869 R874	E869-L877 HydrophobicContact CB-CD2 3.93Å; E869-L877 HydrophobicContact CG-CD2 3.88Å; R874-L877 HydrophobicContact CG-CD1 4.38Å; R874-L877 PolarHBondContact O-N 3.33Å
878	K	45.1	Very low	59.1	Low	249 Å²	249	95.7 Å²	95.7	100%	1.083	47%	0.465	S	S	*	.			trans	-93.9	0	174.6	-66.5	-173.5	177.4	-173.5	0	109.1

Retrieved 878 of 878 residues in 969.3 ms (Link to these results)

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