A0A5K4FCU2_SCHMA Loading...

Ricin B-type lectin domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 aa.

						>A0A5K4FCU2_SCHMA|A0A5K4FCU2
MHLCNSNSLHLDIIWIKAKVHTFLYSLYSSTSSQSILLSSSLSLPTSSSSSSFLSSTISKIFFKLFSLLRSLVRFNDILVTNYLGFYVICIKCLLRLCLIRYRTIITNKDVRNYRYFKNNHRIQLSSRRHAHFHKHLSWYKGIKTVSDHLNSSKNMNYETTISDTVHNECINAECNSRKHFRSYSYRTISSESSSHRFEYTIQYYAIFLYILFALSNVQCINGKPTSLSINGTFAETSSSIYSSNMSSSGISPNSSLSPPSLIISSNHTTEASSVDDLMIQHLDLSTFQTSSSTHSNRKVPITNVFMRSHRSRRSLSFYMSNLDTSPLFLTPFAQNHPMKARFLSIDNNGTIKLVKSFKDTSALITISIIAEWSTPMNKDSLLKLLKPRDGSRVILRKFAKNICICMHLNGTVYTERIINQTLTDNCEWHLRVSRHGIGFEHQLTEDDITDESQQHSLLNPSNNAKIYDGRSPTLNVIDEKSYTIASGWTHQLWQPEATWQVYGFQPKGLLAVIEKQRNSSGFQRFVSMDKESFNQSDVNNTSTISPSSSSNTVKIGSQKMLVLEAPAYYFNTLHHKAKLKHCSMLKSKLVKLVQTELLMSLQTLDKYRQAFQKFTLLIYKHSMTNHKYNINKVASNTVAELLDQWLMLLDYKWRQTIRLTYKADSVSNYQVDNCSLSFKSSFEINTVGNDSDDRILVKFYETQLKTKIYYDLFEIVQDIVQWTDEQKQHWLQNPRVIKLFHYLHIKCPSSKRLRQASFILRRYLPNYSPEVIHPKNNFHFGLMGSLEPETFKKFLAHDIKSANKLIDRAVYMKFEEYYFWPILRHVNTKAIMEHSIFFENDVRNEIKQMPSNSMCYRLFMRNWKFYRENDSSRSCLK
					

Structure Viewer

Loading PAE data...

(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	36.3	Very low	42.1	Very low	219 Å²	219	115 Å²	115	100%	1.079	62%	0.616	S	S	*	*				0	-38	0	-97.8	-175	165.8	0	0	114.1	L3 C4	M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.22Å; M1-C4 PolarHBondContact O-N 3.14Å
2	H	32.5	Very low	43	Very low	166 Å²	166	108.3 Å²	108.3	77%	0.769	58%	0.58	S	S	*	*	H	α-helix	trans	-60.1	-22.9	-177.8	-82.5	-76.2	0	0	0	116.9
3	L	30.8	Very low	43.6	Very low	146 Å²	146	104.2 Å²	104.2	76%	0.764	56%	0.557	S	S	*	*	H	α-helix	trans	-83.2	-17.8	178.2	-83.8	147.8	0	0	0	114.3	M1 S6	M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.22Å; L3-S6 PolarHBondContact O-OG 3.19Å; L3-S6 VanDerWaalsContact O-OG 3.14Å
4	C	32.4	Very low	44.7	Very low	100 Å²	100	103.4 Å²	103.4	68%	0.676	55%	0.551	S	S	*	*	H	α-helix	trans	-83.7	-24.5	-178.3	-70.7	0	0	0	0	113.3	M1	M1-C4 PolarHBondContact O-N 3.14Å
5	N	43.3	Very low	46.3	Very low	114 Å²	114	102.1 Å²	102.1	61%	0.61	54%	0.536	S	S	*	.	H	α-helix	trans	-84.4	-22.2	-180	-88.7	-7.3	0	0	0	113.9	N7 S8 L9	N5-N7 VanDerWaalsContact C-N 3.33Å; N5-N7 PolarHBondContact O-N 2.87Å; N5-S8 PolarHBondContact O-N 2.88Å; N5-L9 PolarHBondContact O-N 3.48Å; N5-L9 VanDerWaalsContact O-N 3.09Å
6	S	38.5	Very low	46.6	Very low	64 Å²	64	97.1 Å²	97.1	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-37.5	175.6	60.3	0	0	0	0	111.5	L3 L9 H10	L3-S6 PolarHBondContact O-OG 3.19Å; L3-S6 VanDerWaalsContact O-OG 3.14Å; S6-L9 PolarHBondContact O-N 2.9Å; S6-H10 WeakPolarHBondContact O-CB 3.43Å; S6-H10 PolarHBondContact O-N 3.34Å
7	N	42.4	Very low	47	Very low	110 Å²	110	100.9 Å²	100.9	59%	0.588	52%	0.521	S	S	*	.	H	α-helix	trans	-64.6	-39.3	174.9	-80.9	-12.1	0	0	0	112.4	N5 H10 L11	N5-N7 VanDerWaalsContact C-N 3.33Å; N5-N7 PolarHBondContact O-N 2.87Å; N7-H10 PolarHBondContact O-N 3.45Å; N7-L11 VanDerWaalsContact O-CB 3.29Å; N7-L11 WeakPolarHBondContact O-CB 3.48Å; N7-L11 WeakPolarHBondContact O-CD1 3.36Å; N7-L11 WeakPolarHBondContact O-CG 3.3Å; N7-L11 PolarHBondContact O-N 3.5Å
8	S	48.9	Very low	47.8	Very low	57 Å²	57	98.2 Å²	98.2	40%	0.399	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-46.3	173.8	150.4	0	0	0	0	111.4	N5 H10 L11 D12	N5-S8 PolarHBondContact O-N 2.88Å; S8-H10 VanDerWaalsContact C-N 3.34Å; S8-H10 PolarHBondContact O-N 2.74Å; S8-L11 PolarHBondContact O-N 3.32Å; S8-D12 PolarHBondContact O-N 3.09Å
9	L	48.1	Very low	48.4	Very low	58 Å²	58	96.8 Å²	96.8	30%	0.304	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-38.3	-179.1	-154.8	133.6	0	0	0	111.3	N5 S6 D12 I13 L68	N5-L9 PolarHBondContact O-N 3.48Å; N5-L9 VanDerWaalsContact O-N 3.09Å; S6-L9 PolarHBondContact O-N 2.9Å; L9-D12 PolarHBondContact O-N 3.41Å; L9-I13 HydrophobicContact CD2-CD1 3.79Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 2.85Å; L9-L68 HydrophobicContact CD1-CD2 3.94Å; L9-L68 HydrophobicContact CG-CD2 3.91Å
10	H	51.4	Low	48.5	Very low	117 Å²	117	94.2 Å²	94.2	54%	0.542	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-38.5	175.1	-152.7	-53.4	0	0	0	112.1	S6 N7 S8 I13 I14	S6-H10 WeakPolarHBondContact O-CB 3.43Å; S6-H10 PolarHBondContact O-N 3.34Å; N7-H10 PolarHBondContact O-N 3.45Å; S8-H10 VanDerWaalsContact C-N 3.34Å; S8-H10 PolarHBondContact O-N 2.74Å; H10-I13 PolarHBondContact O-N 3.41Å; H10-I14 WeakPolarHBondContact ND1-CD1 3.32Å; H10-I14 WeakPolarHBondContact O-CD1 3.47Å; H10-I14 VanDerWaalsContact O-CG1 3.23Å; H10-I14 WeakPolarHBondContact O-CG1 3.29Å; H10-I14 PolarHBondContact O-N 3.28Å
11	L	58.9	Low	48.7	Very low	114 Å²	114	95.5 Å²	95.5	60%	0.597	50%	0.496	S	S	*	.	H	α-helix	trans	-65.4	-40.9	173.8	-79.2	164.7	0	0	0	111.8	N7 S8 I14 W15	N7-L11 VanDerWaalsContact O-CB 3.29Å; N7-L11 WeakPolarHBondContact O-CB 3.48Å; N7-L11 WeakPolarHBondContact O-CD1 3.36Å; N7-L11 WeakPolarHBondContact O-CG 3.3Å; N7-L11 PolarHBondContact O-N 3.5Å; S8-L11 PolarHBondContact O-N 3.32Å; L11-I14 PolarHBondContact O-N 3.44Å; L11-W15 VanDerWaalsContact O-CB 3.3Å; L11-W15 WeakPolarHBondContact O-CB 3.49Å; L11-W15 PolarHBondContact O-N 2.97Å
12	D	52.6	Low	49.8	Very low	35 Å²	35	89.1 Å²	89.1	19%	0.187	47%	0.47	C	S	.	.	H	α-helix	trans	-67.6	-37.5	176.1	-81.1	-37.1	0	0	0	112.2	S8 L9 W15 I16 K64 L68	S8-D12 PolarHBondContact O-N 3.09Å; L9-D12 PolarHBondContact O-N 3.41Å; D12-W15 PolarHBondContact O-N 2.87Å; D12-I16 WeakPolarHBondContact O-CB 3.23Å; D12-I16 VanDerWaalsContact O-CG1 3.26Å; D12-I16 WeakPolarHBondContact O-CG1 3.47Å; D12-I16 PolarHBondContact O-N 3.36Å; D12-K64 WeakPolarHBondContact OD1-CE 3.33Å; D12-K64 IonicContact OD1-NZ 2.74Å; D12-K64 PolarHBondContact OD1-NZ 2.98Å; D12-L68 HydrophobicContact CB-CD1 4.07Å
13	I	50.5	Low	50.5	Low	54 Å²	54	83.5 Å²	83.5	28%	0.277	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-46.3	172.5	-70.8	168.5	0	0	0	110.8	L9 H10 W15 I16 K17	L9-I13 HydrophobicContact CD2-CD1 3.79Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 2.85Å; H10-I13 PolarHBondContact O-N 3.41Å; I13-W15 VanDerWaalsContact C-N 3.27Å; I13-W15 PolarHBondContact O-N 2.96Å; I13-I16 PolarHBondContact O-N 2.75Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 PolarHBondContact O-N 3.46Å
14	I	59.7	Low	51.3	Low	93 Å²	93	80.5 Å²	80.5	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-43.5	175.9	-70.4	165.2	0	0	0	110	H10 L11 K17 A18	H10-I14 WeakPolarHBondContact ND1-CD1 3.32Å; H10-I14 WeakPolarHBondContact O-CD1 3.47Å; H10-I14 VanDerWaalsContact O-CG1 3.23Å; H10-I14 WeakPolarHBondContact O-CG1 3.29Å; H10-I14 PolarHBondContact O-N 3.28Å; L11-I14 PolarHBondContact O-N 3.44Å; I14-K17 PolarHBondContact O-N 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.28Å; I14-A18 PolarHBondContact O-N 3.35Å
15	W	68	Low	52.3	Low	85 Å²	85	83.4 Å²	83.4	32%	0.322	43%	0.426	S	S	.	.	H	α-helix	trans	-64.8	-43.4	179	-172	92.9	0	0	0	112.6	L11 D12 I13 A18 K19 K60 K64	L11-W15 VanDerWaalsContact O-CB 3.3Å; L11-W15 WeakPolarHBondContact O-CB 3.49Å; L11-W15 PolarHBondContact O-N 2.97Å; D12-W15 PolarHBondContact O-N 2.87Å; I13-W15 VanDerWaalsContact C-N 3.27Å; I13-W15 PolarHBondContact O-N 2.96Å; W15-A18 PolarHBondContact O-N 2.88Å; W15-K19 HydrophobicContact CD2-CG 4.05Å; W15-K19 HydrophobicContact CE3-CG 4.01Å; W15-K19 HydrophobicContact CH2-CD 4.4Å; W15-K19 HydrophobicContact CH2-CG 3.81Å; W15-K19 HydrophobicContact CZ2-CD 4.27Å; W15-K19 HydrophobicContact CZ2-CG 3.84Å; W15-K19 HydrophobicContact CZ3-CG 3.89Å; W15-K19 WeakPolarHBondContact O-CB 3.45Å; W15-K19 PolarHBondContact O-N 2.84Å; W15-K60 HydrophobicContact CH2-CB 4.48Å; W15-K64 HydrophobicContact CD2-CD 4.12Å; W15-K64 HydrophobicContact CE3-CD 3.45Å; W15-K64 VanDerWaalsContact CE3-CD 3.45Å; W15-K64 HydrophobicContact CH2-CD 3.91Å; W15-K64 HydrophobicContact CZ3-CB 4.37Å; W15-K64 HydrophobicContact CZ3-CD 3.34Å; W15-K64 HydrophobicContact CZ3-CG 4.45Å
16	I	51.9	Low	52.6	Low	22 Å²	22	81 Å²	81	11%	0.113	42%	0.417	C	S	.	.	H	α-helix	trans	-63.2	-45.3	175.3	-70.1	166.8	0	0	0	109.8	D12 I13 A18 K19 V20 L68	D12-I16 WeakPolarHBondContact O-CB 3.23Å; D12-I16 VanDerWaalsContact O-CG1 3.26Å; D12-I16 WeakPolarHBondContact O-CG1 3.47Å; D12-I16 PolarHBondContact O-N 3.36Å; I13-I16 PolarHBondContact O-N 2.75Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.15Å; I16-K19 PolarHBondContact O-N 2.9Å; I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 WeakPolarHBondContact O-CB 3.34Å; I16-V20 VanDerWaalsContact O-CG2 3.29Å; I16-V20 WeakPolarHBondContact O-CG2 3.46Å; I16-V20 PolarHBondContact O-N 3.36Å; I16-L68 HydrophobicContact CD1-CD1 3.72Å
17	K	53.3	Low	52.8	Low	162 Å²	162	80.4 Å²	80.4	70%	0.704	41%	0.409	S	S	*	.	H	α-helix	trans	-60.9	-43.3	178.6	-158.6	178.9	-175.3	-176.6	0	111	I13 I14 H21	I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 PolarHBondContact O-N 3.46Å; I14-K17 PolarHBondContact O-N 3.3Å; K17-H21 WeakPolarHBondContact O-CB 3.47Å; K17-H21 PolarHBondContact O-N 2.87Å
18	A	61.5	Low	52.9	Low	52 Å²	52	82.3 Å²	82.3	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-49.2	174.2	0	0	0	0	0	111.5	I14 W15 I16 V20 H21 T22	I14-A18 WeakPolarHBondContact O-CB 3.28Å; I14-A18 PolarHBondContact O-N 3.35Å; W15-A18 PolarHBondContact O-N 2.88Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.15Å; A18-V20 PolarHBondContact O-N 3.4Å; A18-H21 WeakPolarHBondContact O-CB 3.29Å; A18-H21 PolarHBondContact O-N 2.91Å; A18-T22 PolarHBondContact O-N 3.46Å; A18-T22 PolarHBondContact O-OG1 3.25Å
19	K	58.4	Low	52.5	Low	71 Å²	71	82.5 Å²	82.5	31%	0.309	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-39.9	179.5	-80.4	-70.2	-178	-170.9	0	113.5	W15 I16 H21 T22 F23 I61	W15-K19 HydrophobicContact CD2-CG 4.05Å; W15-K19 HydrophobicContact CE3-CG 4.01Å; W15-K19 HydrophobicContact CH2-CD 4.4Å; W15-K19 HydrophobicContact CH2-CG 3.81Å; W15-K19 HydrophobicContact CZ2-CD 4.27Å; W15-K19 HydrophobicContact CZ2-CG 3.84Å; W15-K19 HydrophobicContact CZ3-CG 3.89Å; W15-K19 WeakPolarHBondContact O-CB 3.45Å; W15-K19 PolarHBondContact O-N 2.84Å; I16-K19 PolarHBondContact O-N 2.9Å; K19-H21 VanDerWaalsContact C-N 3.35Å; K19-T22 PolarHBondContact O-N 2.83Å; K19-F23 VanDerWaalsContact O-CB 3.27Å; K19-F23 WeakPolarHBondContact O-CB 3.44Å; K19-F23 PolarHBondContact O-N 3.44Å; K19-I61 HydrophobicContact CB-CD1 4.36Å; K19-I61 HydrophobicContact CB-CG1 4.31Å
20	V	50.5	Low	52.2	Low	44 Å²	44	82.3 Å²	82.3	27%	0.267	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-41.2	174.1	171.6	0	0	0	0	110.4	I16 A18 F23 L24	I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 WeakPolarHBondContact O-CB 3.34Å; I16-V20 VanDerWaalsContact O-CG2 3.29Å; I16-V20 WeakPolarHBondContact O-CG2 3.46Å; I16-V20 PolarHBondContact O-N 3.36Å; A18-V20 PolarHBondContact O-N 3.4Å; V20-F23 PolarHBondContact O-N 3.34Å; V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.37Å; V20-L24 WeakPolarHBondContact O-CB 3.49Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.26Å; V20-L24 PolarHBondContact O-N 3.32Å
21	H	53.1	Low	51.5	Low	122 Å²	122	80.1 Å²	80.1	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-62.7	-46.8	174.8	-169.4	-91.8	0	0	0	111.5	K17 A18 K19 F23 L24 Y25	K17-H21 WeakPolarHBondContact O-CB 3.47Å; K17-H21 PolarHBondContact O-N 2.87Å; A18-H21 WeakPolarHBondContact O-CB 3.29Å; A18-H21 PolarHBondContact O-N 2.91Å; K19-H21 VanDerWaalsContact C-N 3.35Å; H21-F23 VanDerWaalsContact C-N 3.31Å; H21-F23 PolarHBondContact O-N 2.89Å; H21-L24 PolarHBondContact O-N 3.41Å; H21-Y25 WeakPolarHBondContact O-CB 3.33Å; H21-Y25 PolarHBondContact O-N 3.44Å
22	T	58.5	Low	50.4	Low	85 Å²	85	76.8 Å²	76.8	52%	0.521	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-41.3	175.8	-38.9	0	0	0	0	111.6	A18 K19 Y25 S26	A18-T22 PolarHBondContact O-N 3.46Å; A18-T22 PolarHBondContact O-OG1 3.25Å; K19-T22 PolarHBondContact O-N 2.83Å; T22-Y25 PolarHBondContact O-N 2.88Å; T22-S26 WeakPolarHBondContact O-CB 3.32Å; T22-S26 PolarHBondContact O-N 2.94Å; T22-S26 PolarHBondContact O-OG 2.85Å
23	F	48.3	Very low	49.6	Very low	49 Å²	49	77.6 Å²	77.6	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-64.4	-44.2	177	173.6	-97.7	0	0	0	112.4	K19 V20 H21 Y25 S26 L27 L54 I58	K19-F23 VanDerWaalsContact O-CB 3.27Å; K19-F23 WeakPolarHBondContact O-CB 3.44Å; K19-F23 PolarHBondContact O-N 3.44Å; V20-F23 PolarHBondContact O-N 3.34Å; H21-F23 VanDerWaalsContact C-N 3.31Å; H21-F23 PolarHBondContact O-N 2.89Å; F23-Y25 VanDerWaalsContact C-N 3.33Å; F23-S26 PolarHBondContact O-N 2.96Å; F23-S26 PolarHBondContact O-OG 3.46Å; F23-L27 HydrophobicContact CD1-CD1 3.82Å; F23-L27 HydrophobicContact CE1-CD1 3.27Å; F23-L27 HydrophobicContact CE2-CD1 4.06Å; F23-L27 HydrophobicContact CG-CD1 4.41Å; F23-L27 HydrophobicContact CZ-CD1 3.41Å; F23-L27 VanDerWaalsContact CZ-CD1 3.41Å; F23-L27 HydrophobicContact CZ-CG 4.48Å; F23-L27 WeakPolarHBondContact O-CB 3.28Å; F23-L27 PolarHBondContact O-N 2.93Å; F23-L54 HydrophobicContact CE2-CD2 3.78Å; F23-L54 HydrophobicContact CZ-CD2 4.48Å; F23-I58 HydrophobicContact CE2-CD1 4.28Å; F23-I58 HydrophobicContact CE2-CG1 4.16Å; F23-I58 HydrophobicContact CZ-CD1 4.48Å
24	L	48.1	Very low	48.9	Very low	82 Å²	82	81.2 Å²	81.2	43%	0.429	42%	0.419	S	S	.	.	H	α-helix	trans	-65.1	-39.4	176	-73.4	170.5	0	0	0	111.2	V20 H21 Y28	V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.37Å; V20-L24 WeakPolarHBondContact O-CB 3.49Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.26Å; V20-L24 PolarHBondContact O-N 3.32Å; H21-L24 PolarHBondContact O-N 3.41Å; L24-Y28 WeakPolarHBondContact O-CB 3.45Å; L24-Y28 PolarHBondContact O-N 2.84Å
25	Y	52.5	Low	47.7	Very low	162 Å²	162	81 Å²	81	64%	0.635	43%	0.426	S	S	*	.	H	α-helix	trans	-69.4	-41	177.8	-150.8	-87.5	0	0	0	112	H21 T22 F23 Y28 S29	H21-Y25 WeakPolarHBondContact O-CB 3.33Å; H21-Y25 PolarHBondContact O-N 3.44Å; T22-Y25 PolarHBondContact O-N 2.88Å; F23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-Y28 PolarHBondContact O-N 3.18Å; Y25-S29 VanDerWaalsContact O-CB 3.29Å; Y25-S29 WeakPolarHBondContact O-CB 3.42Å; Y25-S29 PolarHBondContact O-N 3.46Å
26	S	49.9	Very low	46.1	Very low	62 Å²	62	82.8 Å²	82.8	43%	0.434	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-38.7	175.5	71.5	0	0	0	0	111.5	T22 F23 S30	T22-S26 WeakPolarHBondContact O-CB 3.32Å; T22-S26 PolarHBondContact O-N 2.94Å; T22-S26 PolarHBondContact O-OG 2.85Å; F23-S26 PolarHBondContact O-N 2.96Å; F23-S26 PolarHBondContact O-OG 3.46Å; S26-S30 WeakPolarHBondContact O-CB 3.43Å; S26-S30 PolarHBondContact O-N 2.96Å; S26-S30 PolarHBondContact O-OG 3.14Å
27	L	43.2	Very low	45.1	Very low	52 Å²	52	87.8 Å²	87.8	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-61.7	-46.2	171.4	-93.1	162.6	0	0	0	111.1	F23 S30 T31	F23-L27 HydrophobicContact CD1-CD1 3.82Å; F23-L27 HydrophobicContact CE1-CD1 3.27Å; F23-L27 HydrophobicContact CE2-CD1 4.06Å; F23-L27 HydrophobicContact CG-CD1 4.41Å; F23-L27 HydrophobicContact CZ-CD1 3.41Å; F23-L27 VanDerWaalsContact CZ-CD1 3.41Å; F23-L27 HydrophobicContact CZ-CG 4.48Å; F23-L27 WeakPolarHBondContact O-CB 3.28Å; F23-L27 PolarHBondContact O-N 2.93Å; L27-S30 PolarHBondContact O-N 3.16Å; L27-S30 PolarHBondContact O-OG 3.25Å; L27-T31 PolarHBondContact O-N 3.45Å; L27-T31 VanDerWaalsContact O-N 3.09Å; L27-T31 PolarHBondContact O-OG1 3.17Å
28	Y	42.8	Very low	44.2	Very low	150 Å²	150	85.9 Å²	85.9	59%	0.588	46%	0.464	S	S	*	.	H	α-helix	trans	-61.7	-47.5	178.8	-160.1	-88.7	0	0	0	111.9	L24 Y25 T31 S32	L24-Y28 WeakPolarHBondContact O-CB 3.45Å; L24-Y28 PolarHBondContact O-N 2.84Å; Y25-Y28 PolarHBondContact O-N 3.18Å; Y28-T31 PolarHBondContact O-N 3.41Å; Y28-T31 PolarHBondContact O-OG1 3.48Å; Y28-S32 PolarHBondContact O-N 3.35Å
29	S	42.3	Very low	42.7	Very low	62 Å²	62	88.9 Å²	88.9	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.4	164.8	0	0	0	0	112.6	Y25 T31 S32 S33	Y25-S29 VanDerWaalsContact O-CB 3.29Å; Y25-S29 WeakPolarHBondContact O-CB 3.42Å; Y25-S29 PolarHBondContact O-N 3.46Å; S29-T31 VanDerWaalsContact C-N 3.27Å; S29-T31 PolarHBondContact O-N 2.61Å; S29-S32 PolarHBondContact O-N 3.41Å; S29-S32 PolarHBondContact O-OG 3.38Å; S29-S33 WeakPolarHBondContact O-CB 3.32Å; S29-S33 PolarHBondContact O-N 3.39Å; S29-S33 PolarHBondContact O-OG 3.44Å
30	S	40	Very low	41.4	Very low	53 Å²	53	89.2 Å²	89.2	37%	0.371	49%	0.493	S	S	.	.	H	α-helix	trans	-64.8	-33	177.4	74.8	0	0	0	0	112.4	S26 L27 S33 Q34	S26-S30 WeakPolarHBondContact O-CB 3.43Å; S26-S30 PolarHBondContact O-N 2.96Å; S26-S30 PolarHBondContact O-OG 3.14Å; L27-S30 PolarHBondContact O-N 3.16Å; L27-S30 PolarHBondContact O-OG 3.25Å; S30-S33 PolarHBondContact O-OG 2.79Å; S30-Q34 WeakPolarHBondContact O-CG 3.49Å; S30-Q34 PolarHBondContact O-N 3.33Å
31	T	37.8	Very low	40.2	Very low	71 Å²	71	92.7 Å²	92.7	44%	0.436	52%	0.519	S	S	.	.	H	α-helix	trans	-82.1	-31.3	178.3	50.5	0	0	0	0	113.3	L27 Y28 S29 S35	L27-T31 PolarHBondContact O-N 3.45Å; L27-T31 VanDerWaalsContact O-N 3.09Å; L27-T31 PolarHBondContact O-OG1 3.17Å; Y28-T31 PolarHBondContact O-N 3.41Å; Y28-T31 PolarHBondContact O-OG1 3.48Å; S29-T31 VanDerWaalsContact C-N 3.27Å; S29-T31 PolarHBondContact O-N 2.61Å; T31-S35 PolarHBondContact O-N 3.28Å
32	S	35.9	Very low	39	Very low	44 Å²	44	94.4 Å²	94.4	31%	0.308	53%	0.532	S	S	.	.	H	α-helix	trans	-76.5	-40.2	176.7	81.5	0	0	0	0	111.7	Y28 S29 Q34 S35 I36	Y28-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-N 3.41Å; S29-S32 PolarHBondContact O-OG 3.38Å; S32-Q34 VanDerWaalsContact C-N 3.34Å; S32-Q34 PolarHBondContact O-N 2.98Å; S32-S35 WeakPolarHBondContact CA-OG 3.35Å; S32-S35 PolarHBondContact O-N 2.78Å; S32-S35 PolarHBondContact O-OG 2.91Å; S32-I36 WeakPolarHBondContact O-CG1 3.5Å; S32-I36 PolarHBondContact O-N 3.26Å; S32-I36 VanDerWaalsContact O-N 3.12Å
33	S	36.5	Very low	37.5	Very low	52 Å²	52	95.1 Å²	95.1	36%	0.364	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-37.4	176.1	51.7	0	0	0	0	112.5	S29 S30 S35 I36 L37	S29-S33 WeakPolarHBondContact O-CB 3.32Å; S29-S33 PolarHBondContact O-N 3.39Å; S29-S33 PolarHBondContact O-OG 3.44Å; S30-S33 PolarHBondContact O-OG 2.79Å; S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 2.82Å; S33-I36 PolarHBondContact O-N 3.49Å; S33-L37 PolarHBondContact O-N 3.14Å
34	Q	35.5	Very low	36.4	Very low	130 Å²	130	101 Å²	101	61%	0.607	57%	0.573	S	S	*	*	H	α-helix	trans	-70	-18.5	172.1	-77.1	-174	-4	0	0	114.1	S30 S32 L38	S30-Q34 WeakPolarHBondContact O-CG 3.49Å; S30-Q34 PolarHBondContact O-N 3.33Å; S32-Q34 VanDerWaalsContact C-N 3.34Å; S32-Q34 PolarHBondContact O-N 2.98Å; Q34-L38 WeakPolarHBondContact O-CD1 3.49Å
35	S	33.7	Very low	35.4	Very low	89 Å²	89	102.4 Å²	102.4	62%	0.622	59%	0.587	S	S	*	*	H	α-helix	trans	-88.6	-17.5	174.3	67.1	0	0	0	0	113.9	T31 S32 S33	T31-S35 PolarHBondContact O-N 3.28Å; S32-S35 WeakPolarHBondContact CA-OG 3.35Å; S32-S35 PolarHBondContact O-N 2.78Å; S32-S35 PolarHBondContact O-OG 2.91Å; S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 2.82Å
36	I	34	Very low	34.2	Very low	122 Å²	122	101.6 Å²	101.6	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-97.4	-24.3	-177.6	-65.6	167.6	0	0	0	112.2	S32 S33	S32-I36 WeakPolarHBondContact O-CG1 3.5Å; S32-I36 PolarHBondContact O-N 3.26Å; S32-I36 VanDerWaalsContact O-N 3.12Å; S33-I36 PolarHBondContact O-N 3.49Å
37	L	32.1	Very low	33.3	Very low	127 Å²	127	102.5 Å²	102.5	67%	0.665	61%	0.605	S	S	*	*	S	Bend	trans	-93.9	6.9	-176.6	-86.8	156.6	0	0	0	116.1	S33	S33-L37 PolarHBondContact O-N 3.14Å
38	L	33.2	Very low	32.5	Very low	122 Å²	122	105.4 Å²	105.4	64%	0.639	63%	0.63	S	S	*	*	S	Bend	trans	-100	11.4	-174.9	-79.2	166	0	0	0	115.1	Q34	Q34-L38 WeakPolarHBondContact O-CD1 3.49Å
39	S	30.7	Very low	31.9	Very low	115 Å²	115	102 Å²	102	80%	0.804	63%	0.628	S	S	*	*	S	Bend	trans	-94.5	-3.7	175.8	39.5	0	0	0	0	114.5
40	S	30.5	Very low	31.5	Very low	79 Å²	79	103.4 Å²	103.4	55%	0.552	64%	0.638	S	S	*	*	S	Bend	trans	-131.4	119	-179.1	51.1	0	0	0	0	110.9	L42	S40-L42 PolarHBondContact O-N 3.2Å; S40-L42 VanDerWaalsContact O-N 3.1Å
41	S	26.3	Very low	31.2	Very low	117 Å²	117	104.4 Å²	104.4	82%	0.818	65%	0.645	S	S	*	*			trans	-57.4	100.6	169.7	47.6	0	0	0	0	111.4
42	L	27.2	Very low	31	Very low	158 Å²	158	104.7 Å²	104.7	83%	0.827	65%	0.65	S	S	*	*			trans	-167.7	124.6	157.6	-105.5	129.4	0	0	0	110	S40	S40-L42 PolarHBondContact O-N 3.2Å; S40-L42 VanDerWaalsContact O-N 3.1Å
43	S	27.4	Very low	31.1	Very low	100 Å²	100	110 Å²	110	70%	0.699	67%	0.667	S	S	*	*			trans	29.6	113.4	157.7	42.7	0	0	0	0	119.8	P45	S43-P45 WeakPolarHBondContact O-CD 3.32Å
44	L	25.7	Very low	31.4	Very low	171 Å²	171	111.3 Å²	111.3	90%	0.895	67%	0.67	S	S	*	*			trans	-64.4	127.5	162.2	-108.3	84.7	0	0	0	110.7
45	P	27	Very low	31.8	Very low	112 Å²	112	108 Å²	108	73%	0.727	66%	0.662	S	S	*	*			trans	-81.2	122.6	162.7	-3.6	21.4	0	0	0	110	S43 S47	S43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-S47 PolarHBondContact O-N 2.89Å
46	T	27.5	Very low	32.6	Very low	146 Å²	146	106.4 Å²	106.4	90%	0.896	65%	0.65	S	S	*	*			trans	-75.2	96.5	165.3	43.8	0	0	0	0	109.6
47	S	29.1	Very low	33.5	Very low	80 Å²	80	101.8 Å²	101.8	56%	0.559	63%	0.628	S	S	*	*			trans	-137.7	117.2	167.4	63.9	0	0	0	0	111.4	P45 S49	P45-S47 PolarHBondContact O-N 2.89Å; S47-S49 PolarHBondContact O-N 3.46Å; S47-S49 VanDerWaalsContact O-N 3.1Å
48	S	27.7	Very low	34.5	Very low	113 Å²	113	99.4 Å²	99.4	79%	0.79	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	20.5	-174.9	41.4	0	0	0	0	115.7
49	S	30.9	Very low	35.5	Very low	78 Å²	78	96.5 Å²	96.5	55%	0.545	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.5	-13.4	-164.9	51.2	0	0	0	0	116.5	S47 S52	S47-S49 PolarHBondContact O-N 3.46Å; S47-S49 VanDerWaalsContact O-N 3.1Å; S49-S52 PolarHBondContact O-OG 2.81Å
50	S	32.7	Very low	36.8	Very low	93 Å²	93	96.7 Å²	96.7	65%	0.65	59%	0.591	S	S	*	*	H	α-helix	trans	-89.5	-20.2	-171.8	53.5	0	0	0	0	115.3
51	S	33.1	Very low	38.1	Very low	74 Å²	74	94 Å²	94	52%	0.517	57%	0.571	S	S	.	*	H	α-helix	trans	-84.2	-25.6	-178.6	53.7	0	0	0	0	114.2	F53 L54	S51-F53 VanDerWaalsContact C-N 3.34Å; S51-L54 PolarHBondContact O-N 3.49Å
52	S	35	Very low	39.5	Very low	76 Å²	76	92.6 Å²	92.6	53%	0.531	55%	0.55	S	S	.	.	H	α-helix	trans	-69.9	-31.4	178.1	57	0	0	0	0	112.4	S49 L54 S56	S49-S52 PolarHBondContact O-OG 2.81Å; S52-L54 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 3.25Å; S52-S56 PolarHBondContact O-N 3.04Å
53	F	36.6	Very low	41	Very low	155 Å²	155	92.8 Å²	92.8	68%	0.68	54%	0.544	S	S	*	.	H	α-helix	trans	-67	-33.4	178.1	-127.5	-88.6	0	0	0	113.1	S51 T57	S51-F53 VanDerWaalsContact C-N 3.34Å; F53-T57 PolarHBondContact O-N 3.48Å; F53-T57 PolarHBondContact O-OG1 2.98Å
54	L	44.4	Very low	42.6	Very low	80 Å²	80	90.7 Å²	90.7	42%	0.419	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-46	178.8	-87.3	153.2	0	0	0	112	F23 S51 S52 I58	F23-L54 HydrophobicContact CE2-CD2 3.78Å; F23-L54 HydrophobicContact CZ-CD2 4.48Å; S51-L54 PolarHBondContact O-N 3.49Å; S52-L54 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 3.25Å; L54-I58 WeakPolarHBondContact O-CD1 3.29Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.39Å; L54-I58 PolarHBondContact O-N 3.36Å
55	S	42.3	Very low	44	Very low	62 Å²	62	84.6 Å²	84.6	43%	0.434	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-45.2	179.8	179.4	0	0	0	0	112.2	T57 I58 S59	S55-T57 PolarHBondContact O-N 2.88Å; S55-I58 PolarHBondContact O-N 3.38Å; S55-S59 VanDerWaalsContact O-CB 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.28Å; S55-S59 PolarHBondContact O-N 2.89Å
56	S	50.2	Low	45.4	Very low	55 Å²	55	85 Å²	85	39%	0.385	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-43.4	179.1	170.6	0	0	0	0	112.7	S52 K60	S52-S56 PolarHBondContact O-N 3.04Å; S56-K60 WeakPolarHBondContact O-CB 3.49Å; S56-K60 WeakPolarHBondContact O-CG 3.39Å; S56-K60 PolarHBondContact O-N 3.35Å
57	T	54.1	Low	46.9	Very low	24 Å²	24	80.9 Å²	80.9	15%	0.147	46%	0.458	C	S	.	.	H	α-helix	trans	-70.8	-42	-177.5	-48.7	0	0	0	0	111.5	F53 S55 K60 I61	F53-T57 PolarHBondContact O-N 3.48Å; F53-T57 PolarHBondContact O-OG1 2.98Å; S55-T57 PolarHBondContact O-N 2.88Å; T57-K60 PolarHBondContact O-N 2.9Å; T57-I61 HydrophobicContact CG2-CD1 4.25Å; T57-I61 WeakPolarHBondContact O-CG1 3.27Å; T57-I61 PolarHBondContact O-N 2.87Å
58	I	53.3	Low	48.2	Very low	77 Å²	77	77.6 Å²	77.6	40%	0.395	43%	0.434	S	S	.	.	H	α-helix	trans	-64.5	-44.6	176.3	-67.1	169.6	0	0	0	110.3	F23 L54 S55 K60 I61 F62	F23-I58 HydrophobicContact CE2-CD1 4.28Å; F23-I58 HydrophobicContact CE2-CG1 4.16Å; F23-I58 HydrophobicContact CZ-CD1 4.48Å; L54-I58 WeakPolarHBondContact O-CD1 3.29Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.39Å; L54-I58 PolarHBondContact O-N 3.36Å; S55-I58 PolarHBondContact O-N 3.38Å; I58-K60 PolarHBondContact O-N 3.39Å; I58-I61 PolarHBondContact O-N 2.86Å; I58-F62 WeakPolarHBondContact O-CB 3.28Å; I58-F62 PolarHBondContact O-N 2.83Å
59	S	52.8	Low	49.4	Very low	62 Å²	62	76.1 Å²	76.1	43%	0.434	42%	0.417	S	S	.	.	H	α-helix	trans	-59.1	-44.7	176.7	-178.2	0	0	0	0	111.9	S55 I61 F62 F63	S55-S59 VanDerWaalsContact O-CB 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.28Å; S55-S59 PolarHBondContact O-N 2.89Å; S59-I61 PolarHBondContact O-N 3.28Å; S59-F62 PolarHBondContact O-N 3.25Å; S59-F63 WeakPolarHBondContact O-CB 3.41Å; S59-F63 PolarHBondContact O-N 2.86Å
60	K	59.8	Low	50.4	Low	118 Å²	118	81.6 Å²	81.6	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-41.8	176.1	-75.7	177	-178.4	-178.3	0	112.9	W15 S56 T57 I58 F62 K64	W15-K60 HydrophobicContact CH2-CB 4.48Å; S56-K60 WeakPolarHBondContact O-CB 3.49Å; S56-K60 WeakPolarHBondContact O-CG 3.39Å; S56-K60 PolarHBondContact O-N 3.35Å; T57-K60 PolarHBondContact O-N 2.9Å; I58-K60 PolarHBondContact O-N 3.39Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-K64 PolarHBondContact O-N 3.46Å; K60-K64 VanDerWaalsContact O-N 3.14Å
61	I	57.6	Low	51.4	Low	23 Å²	23	79.7 Å²	79.7	12%	0.118	41%	0.413	C	S	.	.	H	α-helix	trans	-62.7	-43.7	175.5	-69.4	166.9	0	0	0	109.8	K19 T57 I58 S59 K64 L65	K19-I61 HydrophobicContact CB-CD1 4.36Å; K19-I61 HydrophobicContact CB-CG1 4.31Å; T57-I61 HydrophobicContact CG2-CD1 4.25Å; T57-I61 WeakPolarHBondContact O-CG1 3.27Å; T57-I61 PolarHBondContact O-N 2.87Å; I58-I61 PolarHBondContact O-N 2.86Å; S59-I61 PolarHBondContact O-N 3.28Å; I61-K64 PolarHBondContact O-N 3.25Å; I61-L65 HydrophobicContact CG2-CD1 3.8Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 PolarHBondContact O-N 3.47Å
62	F	54.1	Low	52.4	Low	88 Å²	88	78.2 Å²	78.2	39%	0.386	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-46.5	178.4	-117.9	-93.7	0	0	0	112.8	I58 S59 K60 K64 L65 F66 F208	I58-F62 WeakPolarHBondContact O-CB 3.28Å; I58-F62 PolarHBondContact O-N 2.83Å; S59-F62 PolarHBondContact O-N 3.25Å; K60-F62 VanDerWaalsContact C-N 3.32Å; F62-K64 VanDerWaalsContact C-N 3.3Å; F62-K64 PolarHBondContact O-N 3.39Å; F62-L65 PolarHBondContact O-N 2.81Å; F62-F66 WeakPolarHBondContact O-CB 3.28Å; F62-F66 PolarHBondContact O-N 3.48Å; F62-F208 HydrophobicContact CE2-CD2 4.47Å; F62-F208 AromaticContact CE2-CE2 3.52Å; F62-F208 HydrophobicContact CE2-CE2 3.52Å; F62-F208 HydrophobicContact CE2-CZ 4.25Å; F62-F208 HydrophobicContact CZ-CD2 4.27Å; F62-F208 AromaticContact CZ-CE2 3.48Å; F62-F208 HydrophobicContact CZ-CE2 3.48Å; F62-F208 VanDerWaalsContact CZ-CE2 3.48Å; F62-F208 HydrophobicContact CZ-CZ 4.17Å
63	F	60.4	Low	53.1	Low	161 Å²	161	80.2 Å²	80.2	71%	0.706	41%	0.407	S	S	*	.	H	α-helix	trans	-61.9	-40.6	-179.7	-127.7	-83.9	0	0	0	111.4	S59 F66 S67	S59-F63 WeakPolarHBondContact O-CB 3.41Å; S59-F63 PolarHBondContact O-N 2.86Å; F63-F66 PolarHBondContact O-N 3.26Å; F63-S67 WeakPolarHBondContact O-CB 3.27Å; F63-S67 PolarHBondContact O-N 3.22Å
64	K	59.5	Low	53.8	Low	57 Å²	57	83.5 Å²	83.5	25%	0.248	42%	0.415	C	S	.	.	H	α-helix	trans	-68.5	-43.5	176.7	-119.1	173.1	-174.8	-148.5	0	112.1	D12 W15 K60 I61 F62 F66 S67 L68	D12-K64 WeakPolarHBondContact OD1-CE 3.33Å; D12-K64 IonicContact OD1-NZ 2.74Å; D12-K64 PolarHBondContact OD1-NZ 2.98Å; W15-K64 HydrophobicContact CD2-CD 4.12Å; W15-K64 HydrophobicContact CE3-CD 3.45Å; W15-K64 VanDerWaalsContact CE3-CD 3.45Å; W15-K64 HydrophobicContact CH2-CD 3.91Å; W15-K64 HydrophobicContact CZ3-CB 4.37Å; W15-K64 HydrophobicContact CZ3-CD 3.34Å; W15-K64 HydrophobicContact CZ3-CG 4.45Å; K60-K64 PolarHBondContact O-N 3.46Å; K60-K64 VanDerWaalsContact O-N 3.14Å; I61-K64 PolarHBondContact O-N 3.25Å; F62-K64 VanDerWaalsContact C-N 3.3Å; F62-K64 PolarHBondContact O-N 3.39Å; K64-F66 VanDerWaalsContact C-N 3.33Å; K64-F66 PolarHBondContact O-N 2.91Å; K64-S67 PolarHBondContact O-N 2.93Å; K64-S67 PolarHBondContact O-OG 3.34Å; K64-L68 WeakPolarHBondContact O-CB 3.27Å; K64-L68 PolarHBondContact O-N 3.36Å
65	L	56	Low	54	Low	43 Å²	43	85.3 Å²	85.3	23%	0.225	42%	0.42	C	S	.	.	H	α-helix	trans	-59.4	-42.4	173.2	-94.1	155.8	0	0	0	112.2	I61 F62 L68 L69 Y87	I61-L65 HydrophobicContact CG2-CD1 3.8Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 PolarHBondContact O-N 3.47Å; F62-L65 PolarHBondContact O-N 2.81Å; L65-L68 WeakPolarHBondContact O-CB 3.5Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-L69 WeakPolarHBondContact O-CB 3.5Å; L65-L69 PolarHBondContact O-N 3.25Å; L65-Y87 HydrophobicContact CD2-CE1 4.2Å
66	F	55.5	Low	53.9	Low	119 Å²	119	89.1 Å²	89.1	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-67.2	-39.4	177.8	-159.2	-90.5	0	0	0	111.3	F62 F63 K64 L68 L69 R70	F62-F66 WeakPolarHBondContact O-CB 3.28Å; F62-F66 PolarHBondContact O-N 3.48Å; F63-F66 PolarHBondContact O-N 3.26Å; K64-F66 VanDerWaalsContact C-N 3.33Å; K64-F66 PolarHBondContact O-N 2.91Å; F66-L68 VanDerWaalsContact C-N 3.34Å; F66-L69 PolarHBondContact O-N 3.43Å; F66-R70 VanDerWaalsContact O-CB 3.28Å; F66-R70 WeakPolarHBondContact O-CB 3.3Å; F66-R70 PolarHBondContact O-N 2.91Å
67	S	59.8	Low	53.7	Low	60 Å²	60	92.3 Å²	92.3	42%	0.42	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-38.6	173.9	85.7	0	0	0	0	112.1	F63 K64 R70 S71	F63-S67 WeakPolarHBondContact O-CB 3.27Å; F63-S67 PolarHBondContact O-N 3.22Å; K64-S67 PolarHBondContact O-N 2.93Å; K64-S67 PolarHBondContact O-OG 3.34Å; S67-R70 PolarHBondContact O-N 3.05Å; S67-S71 WeakPolarHBondContact O-CB 3.47Å; S67-S71 PolarHBondContact O-N 3.22Å
68	L	55.4	Low	53.5	Low	11 Å²	11	97.4 Å²	97.4	6%	0.058	47%	0.473	C	S	.	.	H	α-helix	trans	-65.1	-48.2	176.2	-101.8	152.7	0	0	0	111.3	L9 D12 I16 K64 L65 F66 R70 S71 L72	L9-L68 HydrophobicContact CD1-CD2 3.94Å; L9-L68 HydrophobicContact CG-CD2 3.91Å; D12-L68 HydrophobicContact CB-CD1 4.07Å; I16-L68 HydrophobicContact CD1-CD1 3.72Å; K64-L68 WeakPolarHBondContact O-CB 3.27Å; K64-L68 PolarHBondContact O-N 3.36Å; L65-L68 WeakPolarHBondContact O-CB 3.5Å; L65-L68 PolarHBondContact O-N 3.45Å; F66-L68 VanDerWaalsContact C-N 3.34Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.31Å; L68-S71 PolarHBondContact O-N 3.48Å; L68-S71 VanDerWaalsContact O-N 3.15Å; L68-S71 PolarHBondContact O-OG 3Å; L68-L72 HydrophobicContact CD2-CD1 4.46Å; L68-L72 WeakPolarHBondContact O-CB 3.29Å; L68-L72 PolarHBondContact O-N 3.41Å
69	L	54.2	Low	53.2	Low	82 Å²	82	99.6 Å²	99.6	43%	0.429	49%	0.485	S	S	.	.	H	α-helix	trans	-60.3	-43.7	175.2	-108.5	128.8	0	0	0	111.3	L65 F66 S71 L72 V73	L65-L69 WeakPolarHBondContact O-CB 3.5Å; L65-L69 PolarHBondContact O-N 3.25Å; F66-L69 PolarHBondContact O-N 3.43Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 2.95Å; L69-L72 PolarHBondContact O-N 2.89Å; L69-L72 VanDerWaalsContact O-N 3.17Å; L69-V73 VanDerWaalsContact O-CG2 3.26Å; L69-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 PolarHBondContact O-N 3.39Å
70	R	51.2	Low	53	Low	193 Å²	193	98.1 Å²	98.1	73%	0.728	47%	0.473	S	S	*	.	H	α-helix	trans	-64.4	-31.9	176.8	-160	177.4	-173	-175	2	112.3	F66 S67 L68	F66-R70 VanDerWaalsContact O-CB 3.28Å; F66-R70 WeakPolarHBondContact O-CB 3.3Å; F66-R70 PolarHBondContact O-N 2.91Å; S67-R70 PolarHBondContact O-N 3.05Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.31Å
71	S	54.4	Low	52.5	Low	53 Å²	53	97.1 Å²	97.1	37%	0.371	48%	0.478	S	S	.	.	H	α-helix	trans	-73.6	-36.2	173.2	82.8	0	0	0	0	112.6	S67 L68 L69 R74	S67-S71 WeakPolarHBondContact O-CB 3.47Å; S67-S71 PolarHBondContact O-N 3.22Å; L68-S71 PolarHBondContact O-N 3.48Å; L68-S71 VanDerWaalsContact O-N 3.15Å; L68-S71 PolarHBondContact O-OG 3Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 2.95Å; S71-R74 PolarHBondContact O-N 3.36Å
72	L	53	Low	52.1	Low	43 Å²	43	101.8 Å²	101.8	23%	0.225	50%	0.503	C	S	.	.	H	α-helix	trans	-75.7	-31.9	-178.8	-84.6	157.3	0	0	0	112.8	L68 L69 R74 F75 V80	L68-L72 HydrophobicContact CD2-CD1 4.46Å; L68-L72 WeakPolarHBondContact O-CB 3.29Å; L68-L72 PolarHBondContact O-N 3.41Å; L69-L72 PolarHBondContact O-N 2.89Å; L69-L72 VanDerWaalsContact O-N 3.17Å; L72-R74 PolarHBondContact O-N 2.71Å; L72-R74 VanDerWaalsContact O-N 3.14Å; L72-F75 PolarHBondContact O-N 3.26Å; L72-V80 HydrophobicContact CD2-CG2 4.12Å
73	V	50	Low	52	Low	118 Å²	118	103.3 Å²	103.3	72%	0.715	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.1	175.6	171.6	0	0	0	0	112.3	L69 F75	L69-V73 VanDerWaalsContact O-CG2 3.26Å; L69-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 PolarHBondContact O-N 3.39Å; V73-F75 VanDerWaalsContact C-N 3.34Å
74	R	52.8	Low	51.6	Low	224 Å²	224	99.7 Å²	99.7	85%	0.845	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.8	171.9	-81.2	-172.6	177.3	175.3	-1.2	114.4	S71 L72	S71-R74 PolarHBondContact O-N 3.36Å; L72-R74 PolarHBondContact O-N 2.71Å; L72-R74 VanDerWaalsContact O-N 3.14Å
75	F	47.1	Very low	51.2	Low	118 Å²	118	98.6 Å²	98.6	52%	0.518	50%	0.499	S	S	.	.			trans	-101.4	111.9	179.6	-75.9	-82.3	0	0	0	109.7	L72 V73 V80	L72-F75 PolarHBondContact O-N 3.26Å; V73-F75 VanDerWaalsContact C-N 3.34Å; F75-V80 HydrophobicContact CB-CG2 4.24Å; F75-V80 VanDerWaalsContact O-CG2 3.28Å; F75-V80 WeakPolarHBondContact O-CG2 3.39Å
76	N	39.9	Very low	51.1	Low	143 Å²	143	102.9 Å²	102.9	77%	0.765	52%	0.516	S	S	*	.			trans	-62	162.4	160.6	-100.5	-13.2	0	0	0	109.7
77	D	47.8	Very low	50.9	Low	122 Å²	122	100.8 Å²	100.8	65%	0.652	51%	0.505	S	S	*	.	S	Bend	trans	87.4	108	167.4	-52.1	-30	0	0	0	115.7	L79 V80	D77-L79 WeakPolarHBondContact O-CA 3.4Å; D77-L79 PolarHBondContact O-N 2.98Å; D77-V80 PolarHBondContact O-N 3.36Å
78	I	49.1	Very low	50.7	Low	130 Å²	130	101.1 Å²	101.1	67%	0.667	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	-48.8	143.1	-59.2	170.4	0	0	0	118.1	V80 T81 N82	I78-V80 VanDerWaalsContact C-N 3.29Å; I78-V80 PolarHBondContact O-N 2.89Å; I78-T81 PolarHBondContact O-N 3Å; I78-T81 PolarHBondContact O-OG1 3.42Å; I78-N82 PolarHBondContact O-N 2.72Å; I78-N82 VanDerWaalsContact O-N 3.16Å
79	L	46.2	Very low	50.9	Low	124 Å²	124	105.6 Å²	105.6	65%	0.649	53%	0.528	S	S	*	.	H	α-helix	trans	-56	-42.6	168.7	-93.8	154.4	0	0	0	111.8	D77 T81 N82 Y83	D77-L79 WeakPolarHBondContact O-CA 3.4Å; D77-L79 PolarHBondContact O-N 2.98Å; L79-T81 VanDerWaalsContact C-N 3.29Å; L79-T81 PolarHBondContact O-N 3.12Å; L79-N82 PolarHBondContact O-N 3.46Å; L79-Y83 HydrophobicContact CD2-CD2 4.06Å; L79-Y83 HydrophobicContact CD2-CE2 3.84Å; L79-Y83 WeakPolarHBondContact O-CB 3.36Å; L79-Y83 WeakPolarHBondContact O-CD2 3.35Å; L79-Y83 PolarHBondContact O-N 3.38Å
80	V	49	Very low	50.8	Low	30 Å²	30	104.1 Å²	104.1	18%	0.182	52%	0.523	C	S	.	.	H	α-helix	trans	-61.1	-40.8	177.8	177.6	0	0	0	0	110.7	L72 F75 D77 I78 L84	L72-V80 HydrophobicContact CD2-CG2 4.12Å; F75-V80 HydrophobicContact CB-CG2 4.24Å; F75-V80 VanDerWaalsContact O-CG2 3.28Å; F75-V80 WeakPolarHBondContact O-CG2 3.39Å; D77-V80 PolarHBondContact O-N 3.36Å; I78-V80 VanDerWaalsContact C-N 3.29Å; I78-V80 PolarHBondContact O-N 2.89Å; V80-L84 HydrophobicContact CG1-CD1 4.25Å; V80-L84 VanDerWaalsContact O-CB 3.28Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 2.83Å
81	T	48.6	Very low	50.9	Low	98 Å²	98	98.8 Å²	98.8	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-66.6	-43.9	-179.1	-16.7	0	0	0	0	112.4	I78 L79 L84 G85	I78-T81 PolarHBondContact O-N 3Å; I78-T81 PolarHBondContact O-OG1 3.42Å; L79-T81 VanDerWaalsContact C-N 3.29Å; L79-T81 PolarHBondContact O-N 3.12Å; T81-L84 PolarHBondContact O-N 2.89Å; T81-G85 PolarHBondContact O-N 2.89Å
82	N	50.4	Low	50.8	Low	121 Å²	121	103.1 Å²	103.1	65%	0.647	52%	0.521	S	S	*	.	H	α-helix	trans	-68.7	-41.5	177.9	-81.2	-18.8	0	0	0	112.1	I78 L79 G85 F86	I78-N82 PolarHBondContact O-N 2.72Å; I78-N82 VanDerWaalsContact O-N 3.16Å; L79-N82 PolarHBondContact O-N 3.46Å; N82-G85 PolarHBondContact O-N 3.36Å; N82-F86 PolarHBondContact O-N 2.88Å
83	Y	51.8	Low	51	Low	120 Å²	120	104.4 Å²	104.4	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-42.6	174.2	-91.6	-85.1	0	0	0	111.4	L79 G85 F86 Y87	L79-Y83 HydrophobicContact CD2-CD2 4.06Å; L79-Y83 HydrophobicContact CD2-CE2 3.84Å; L79-Y83 WeakPolarHBondContact O-CB 3.36Å; L79-Y83 WeakPolarHBondContact O-CD2 3.35Å; L79-Y83 PolarHBondContact O-N 3.38Å; Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 3.01Å; Y83-F86 PolarHBondContact O-N 3.41Å; Y83-Y87 HydrophobicContact CD1-CE2 4.37Å; Y83-Y87 VanDerWaalsContact O-CD2 3.27Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.36Å; Y83-Y87 PolarHBondContact O-N 3.32Å
84	L	51.7	Low	51.1	Low	84 Å²	84	102.8 Å²	102.8	44%	0.44	52%	0.52	S	S	.	.	H	α-helix	trans	-58.3	-43.6	174.5	-129.7	88.8	0	0	0	110.9	V80 T81 F86 Y87 V88	V80-L84 HydrophobicContact CG1-CD1 4.25Å; V80-L84 VanDerWaalsContact O-CB 3.28Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 2.83Å; T81-L84 PolarHBondContact O-N 2.89Å; L84-F86 PolarHBondContact O-N 3.46Å; L84-Y87 PolarHBondContact O-N 3.25Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.95Å
85	G	51.6	Low	51.1	Low	34 Å²	34	95.2 Å²	95.2	35%	0.351	50%	0.495	S	S	.	.	H	α-helix	trans	-58	-47.5	177	0	0	0	0	0	112.4	T81 N82 Y83 V88 I89	T81-G85 PolarHBondContact O-N 2.89Å; N82-G85 PolarHBondContact O-N 3.36Å; Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 3.01Å; G85-V88 PolarHBondContact O-N 3.27Å; G85-I89 WeakPolarHBondContact O-CG1 3.46Å; G85-I89 PolarHBondContact O-N 3.42Å; G85-I89 VanDerWaalsContact O-N 3.13Å
86	F	54.2	Low	51.5	Low	134 Å²	134	98.3 Å²	98.3	59%	0.588	50%	0.504	S	S	*	.	H	α-helix	trans	-63	-42.9	176.2	-168.2	-94.5	0	0	0	112	N82 Y83 L84 V88 I89 C90	N82-F86 PolarHBondContact O-N 2.88Å; Y83-F86 PolarHBondContact O-N 3.41Å; L84-F86 PolarHBondContact O-N 3.46Å; F86-V88 PolarHBondContact O-N 3.34Å; F86-I89 WeakPolarHBondContact O-CB 3.49Å; F86-I89 PolarHBondContact O-N 3.26Å; F86-C90 PolarHBondContact O-N 2.91Å
87	Y	51.7	Low	52.1	Low	74 Å²	74	96.4 Å²	96.4	29%	0.29	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-41.3	176.5	-92.4	-77.3	0	0	0	112.7	L65 Y83 L84 I89 C90 I91	L65-Y87 HydrophobicContact CD2-CE1 4.2Å; Y83-Y87 HydrophobicContact CD1-CE2 4.37Å; Y83-Y87 VanDerWaalsContact O-CD2 3.27Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.36Å; Y83-Y87 PolarHBondContact O-N 3.32Å; L84-Y87 PolarHBondContact O-N 3.25Å; Y87-I89 VanDerWaalsContact C-N 3.3Å; Y87-I89 PolarHBondContact O-N 3.45Å; Y87-C90 PolarHBondContact O-N 3.1Å; Y87-I91 VanDerWaalsContact O-CG1 3.3Å; Y87-I91 WeakPolarHBondContact O-CG1 3.41Å; Y87-I91 PolarHBondContact O-N 3.21Å
88	V	53.9	Low	52.1	Low	68 Å²	68	93.7 Å²	93.7	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-62.1	-38.7	175.8	170	0	0	0	0	111	L84 G85 F86 K92	L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.95Å; G85-V88 PolarHBondContact O-N 3.27Å; F86-V88 PolarHBondContact O-N 3.34Å; V88-K92 HydrophobicContact CG1-CD 4.36Å; V88-K92 WeakPolarHBondContact O-CB 3.44Å; V88-K92 WeakPolarHBondContact O-CG 3.36Å; V88-K92 PolarHBondContact O-N 3.13Å
89	I	60.1	Low	52.1	Low	105 Å²	105	92.9 Å²	92.9	54%	0.538	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-46.1	175.1	-66.4	165.6	0	0	0	110.7	G85 F86 Y87 I91 K92 C93	G85-I89 WeakPolarHBondContact O-CG1 3.46Å; G85-I89 PolarHBondContact O-N 3.42Å; G85-I89 VanDerWaalsContact O-N 3.13Å; F86-I89 WeakPolarHBondContact O-CB 3.49Å; F86-I89 PolarHBondContact O-N 3.26Å; Y87-I89 VanDerWaalsContact C-N 3.3Å; Y87-I89 PolarHBondContact O-N 3.45Å; I89-I91 PolarHBondContact O-N 3.09Å; I89-K92 PolarHBondContact O-N 3.27Å; I89-C93 PolarHBondContact O-N 2.82Å
90	C	51.5	Low	52.4	Low	50 Å²	50	91.7 Å²	91.7	34%	0.338	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-43.5	176.6	-74	0	0	0	0	112.3	F86 Y87 C93 L94	F86-C90 PolarHBondContact O-N 2.91Å; Y87-C90 PolarHBondContact O-N 3.1Å; C90-C93 PolarHBondContact O-N 3.4Å; C90-L94 WeakPolarHBondContact O-CB 3.46Å; C90-L94 WeakPolarHBondContact O-CG 3.1Å; C90-L94 PolarHBondContact O-N 3.38Å
91	I	53.7	Low	52.2	Low	81 Å²	81	95.4 Å²	95.4	42%	0.415	48%	0.483	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.3	-68.8	167.6	0	0	0	110.6	Y87 I89 C93 L94 L95	Y87-I91 VanDerWaalsContact O-CG1 3.3Å; Y87-I91 WeakPolarHBondContact O-CG1 3.41Å; Y87-I91 PolarHBondContact O-N 3.21Å; I89-I91 PolarHBondContact O-N 3.09Å; I91-C93 VanDerWaalsContact C-N 3.35Å; I91-C93 PolarHBondContact O-N 3.36Å; I91-L94 PolarHBondContact O-N 3.24Å; I91-L95 HydrophobicContact CG2-CD1 3.86Å; I91-L95 HydrophobicContact CG2-CG 4.4Å; I91-L95 WeakPolarHBondContact O-CB 3.28Å; I91-L95 WeakPolarHBondContact O-CG 3.35Å; I91-L95 PolarHBondContact O-N 2.9Å
92	K	53.6	Low	52	Low	144 Å²	144	95.5 Å²	95.5	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-60.3	-42	174.4	-79.2	178.8	178.3	176.9	0	112.1	V88 I89 L95 R96	V88-K92 HydrophobicContact CG1-CD 4.36Å; V88-K92 WeakPolarHBondContact O-CB 3.44Å; V88-K92 WeakPolarHBondContact O-CG 3.36Å; V88-K92 PolarHBondContact O-N 3.13Å; I89-K92 PolarHBondContact O-N 3.27Å; K92-L95 PolarHBondContact O-N 2.87Å; K92-R96 WeakPolarHBondContact O-CB 3.32Å; K92-R96 PolarHBondContact O-N 3.13Å
93	C	55.7	Low	51.6	Low	71 Å²	71	99.1 Å²	99.1	48%	0.48	48%	0.478	S	S	.	.	H	α-helix	trans	-65.2	-44.6	176.2	-87.8	0	0	0	0	112.4	I89 C90 I91 R96 L97	I89-C93 PolarHBondContact O-N 2.82Å; C90-C93 PolarHBondContact O-N 3.4Å; I91-C93 VanDerWaalsContact C-N 3.35Å; I91-C93 PolarHBondContact O-N 3.36Å; C93-R96 PolarHBondContact O-N 3.48Å; C93-L97 PolarHBondContact O-N 2.82Å
94	L	52.7	Low	51.1	Low	84 Å²	84	96.7 Å²	96.7	44%	0.44	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-45.5	175	-77.7	167.3	0	0	0	111.4	C90 I91 R96 L97 C98	C90-L94 WeakPolarHBondContact O-CB 3.46Å; C90-L94 WeakPolarHBondContact O-CG 3.1Å; C90-L94 PolarHBondContact O-N 3.38Å; I91-L94 PolarHBondContact O-N 3.24Å; L94-R96 VanDerWaalsContact C-N 3.31Å; L94-R96 PolarHBondContact O-N 3.33Å; L94-L97 PolarHBondContact O-N 3.38Å; L94-C98 WeakPolarHBondContact O-CB 3.36Å; L94-C98 PolarHBondContact O-N 2.85Å; L94-C98 PolarHBondContact O-SG 3.39Å; L94-C98 VanDerWaalsContact O-SG 3.35Å
95	L	52.4	Low	50.5	Low	64 Å²	64	97.1 Å²	97.1	34%	0.335	48%	0.477	S	S	.	.	H	α-helix	trans	-59.3	-41.5	174.9	-79.5	166.6	0	0	0	111.9	I91 K92 C98 L99	I91-L95 HydrophobicContact CG2-CD1 3.86Å; I91-L95 HydrophobicContact CG2-CG 4.4Å; I91-L95 WeakPolarHBondContact O-CB 3.28Å; I91-L95 WeakPolarHBondContact O-CG 3.35Å; I91-L95 PolarHBondContact O-N 2.9Å; K92-L95 PolarHBondContact O-N 2.87Å; L95-C98 PolarHBondContact O-N 3.07Å; L95-L99 VanDerWaalsContact O-CB 3.32Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 PolarHBondContact O-N 3.33Å
96	R	55.1	Low	49.8	Very low	184 Å²	184	98.5 Å²	98.5	69%	0.694	48%	0.476	S	S	*	.	H	α-helix	trans	-65.3	-43.2	177.4	-162.3	178	-173.7	-177.2	1.6	111.7	K92 C93 L94 L99 I100	K92-R96 WeakPolarHBondContact O-CB 3.32Å; K92-R96 PolarHBondContact O-N 3.13Å; C93-R96 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.31Å; L94-R96 PolarHBondContact O-N 3.33Å; R96-L99 PolarHBondContact O-N 2.92Å; R96-I100 HydrophobicContact CG-CD1 4.3Å; R96-I100 WeakPolarHBondContact O-CD1 3.38Å; R96-I100 VanDerWaalsContact O-CG1 3.24Å; R96-I100 WeakPolarHBondContact O-CG1 3.32Å; R96-I100 PolarHBondContact O-N 2.69Å
97	L	54.5	Low	49	Very low	103 Å²	103	95.7 Å²	95.7	54%	0.539	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-44	174.5	-86.5	157.4	0	0	0	111.8	C93 L94 I100 R101	C93-L97 PolarHBondContact O-N 2.82Å; L94-L97 PolarHBondContact O-N 3.38Å; L97-I100 PolarHBondContact O-N 3.42Å; L97-R101 WeakPolarHBondContact O-CB 3.47Å; L97-R101 PolarHBondContact O-N 3.49Å
98	C	46.7	Very low	48.4	Very low	65 Å²	65	97.5 Å²	97.5	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-43.3	174.1	-74.6	0	0	0	0	111.6	L94 L95 R101 Y102	L94-C98 WeakPolarHBondContact O-CB 3.36Å; L94-C98 PolarHBondContact O-N 2.85Å; L94-C98 PolarHBondContact O-SG 3.39Å; L94-C98 VanDerWaalsContact O-SG 3.35Å; L95-C98 PolarHBondContact O-N 3.07Å; C98-R101 PolarHBondContact O-N 3.35Å; C98-Y102 WeakPolarHBondContact O-CB 3.49Å; C98-Y102 PolarHBondContact O-N 2.83Å
99	L	50	Low	47.5	Very low	112 Å²	112	100.4 Å²	100.4	59%	0.586	49%	0.492	S	S	*	.	H	α-helix	trans	-63.8	-41.9	176.3	-92.4	158.6	0	0	0	112.6	L95 R96 Y102 R103	L95-L99 VanDerWaalsContact O-CB 3.32Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 PolarHBondContact O-N 3.33Å; R96-L99 PolarHBondContact O-N 2.92Å; L99-Y102 PolarHBondContact O-N 3.26Å; L99-R103 WeakPolarHBondContact O-CB 3.38Å; L99-R103 PolarHBondContact O-N 3.4Å
100	I	51.4	Low	46.2	Very low	100 Å²	100	98.2 Å²	98.2	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-44.5	175.6	-69.3	164.4	0	0	0	110.1	R96 L97 R103 T104	R96-I100 HydrophobicContact CG-CD1 4.3Å; R96-I100 WeakPolarHBondContact O-CD1 3.38Å; R96-I100 VanDerWaalsContact O-CG1 3.24Å; R96-I100 WeakPolarHBondContact O-CG1 3.32Å; R96-I100 PolarHBondContact O-N 2.69Å; L97-I100 PolarHBondContact O-N 3.42Å; I100-R103 WeakPolarHBondContact O-CB 3.24Å; I100-R103 PolarHBondContact O-N 2.95Å; I100-T104 PolarHBondContact O-N 2.94Å; I100-T104 PolarHBondContact O-OG1 3.39Å
101	R	45.6	Very low	45.5	Very low	107 Å²	107	98.4 Å²	98.4	40%	0.404	48%	0.481	S	S	.	.	H	α-helix	trans	-67.1	-39	176.8	-76.5	-155	178.7	-165.9	3.1	112.9	L97 C98 T104 I105	L97-R101 WeakPolarHBondContact O-CB 3.47Å; L97-R101 PolarHBondContact O-N 3.49Å; C98-R101 PolarHBondContact O-N 3.35Å; R101-T104 WeakPolarHBondContact CA-OG1 3.45Å; R101-T104 PolarHBondContact O-N 3.1Å; R101-T104 VanDerWaalsContact O-N 3.14Å; R101-T104 PolarHBondContact O-OG1 3.21Å; R101-T104 VanDerWaalsContact O-OG1 3.05Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.15Å
102	Y	43.5	Very low	44.6	Very low	101 Å²	101	101.5 Å²	101.5	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175	-175.9	-105.5	0	0	0	111.1	C98 L99 T104 I105 I106	C98-Y102 WeakPolarHBondContact O-CB 3.49Å; C98-Y102 PolarHBondContact O-N 2.83Å; L99-Y102 PolarHBondContact O-N 3.26Å; Y102-T104 VanDerWaalsContact C-N 3.28Å; Y102-T104 PolarHBondContact O-N 2.93Å; Y102-I105 PolarHBondContact O-N 2.97Å; Y102-I106 HydrophobicContact CD1-CD1 3.62Å; Y102-I106 HydrophobicContact CD1-CG1 4.4Å; Y102-I106 HydrophobicContact CE1-CD1 3.11Å; Y102-I106 HydrophobicContact CE1-CG1 4.12Å; Y102-I106 HydrophobicContact CE2-CD1 4.23Å; Y102-I106 HydrophobicContact CE2-CG1 4.49Å; Y102-I106 HydrophobicContact CG-CD1 4.37Å; Y102-I106 VanDerWaalsContact CZ-CD1 3.45Å; Y102-I106 WeakPolarHBondContact O-CG1 3.46Å; Y102-I106 PolarHBondContact O-N 2.86Å
103	R	41.3	Very low	43.7	Very low	197 Å²	197	99.6 Å²	99.6	74%	0.743	48%	0.484	S	S	*	.	H	α-helix	trans	-55.9	-42.9	170.3	-102.5	-175.6	173	176.5	-0.6	111.9	L99 I100 T107	L99-R103 WeakPolarHBondContact O-CB 3.38Å; L99-R103 PolarHBondContact O-N 3.4Å; I100-R103 WeakPolarHBondContact O-CB 3.24Å; I100-R103 PolarHBondContact O-N 2.95Å; R103-T107 WeakPolarHBondContact O-CG2 3.32Å; R103-T107 PolarHBondContact O-N 3.27Å; R103-T107 PolarHBondContact O-OG1 2.94Å
104	T	42.9	Very low	42.6	Very low	68 Å²	68	102.5 Å²	102.5	42%	0.417	49%	0.486	S	S	.	.	H	α-helix	trans	-70	-37.1	179.5	14.9	0	0	0	0	113	I100 R101 Y102 T107 N108	I100-T104 PolarHBondContact O-N 2.94Å; I100-T104 PolarHBondContact O-OG1 3.39Å; R101-T104 WeakPolarHBondContact CA-OG1 3.45Å; R101-T104 PolarHBondContact O-N 3.1Å; R101-T104 VanDerWaalsContact O-N 3.14Å; R101-T104 PolarHBondContact O-OG1 3.21Å; R101-T104 VanDerWaalsContact O-OG1 3.05Å; Y102-T104 VanDerWaalsContact C-N 3.28Å; Y102-T104 PolarHBondContact O-N 2.93Å; T104-T107 VanDerWaalsContact CA-OG1 3.26Å; T104-T107 WeakPolarHBondContact CA-OG1 3.31Å; T104-T107 PolarHBondContact O-N 3.4Å; T104-T107 PolarHBondContact O-OG1 3.04Å; T104-N108 WeakPolarHBondContact O-CB 3.46Å; T104-N108 PolarHBondContact O-N 3.32Å
105	I	38	Very low	41.6	Very low	94 Å²	94	107.2 Å²	107.2	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-43.4	175.5	-68.2	166.1	0	0	0	110.9	R101 Y102 N108 K109	R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.15Å; Y102-I105 PolarHBondContact O-N 2.97Å; I105-N108 PolarHBondContact O-N 3.5Å; I105-K109 HydrophobicContact CG2-CD 4.48Å; I105-K109 WeakPolarHBondContact O-CB 3.46Å; I105-K109 PolarHBondContact O-N 2.93Å
106	I	37.4	Very low	40.7	Very low	63 Å²	63	112.8 Å²	112.8	32%	0.323	52%	0.515	S	S	.	.	H	α-helix	trans	-58.7	-50.4	173.8	-73.7	177.4	0	0	0	109.6	Y102 N108 K109 D110	Y102-I106 HydrophobicContact CD1-CD1 3.62Å; Y102-I106 HydrophobicContact CD1-CG1 4.4Å; Y102-I106 HydrophobicContact CE1-CD1 3.11Å; Y102-I106 HydrophobicContact CE1-CG1 4.12Å; Y102-I106 HydrophobicContact CE2-CD1 4.23Å; Y102-I106 HydrophobicContact CE2-CG1 4.49Å; Y102-I106 HydrophobicContact CG-CD1 4.37Å; Y102-I106 VanDerWaalsContact CZ-CD1 3.45Å; Y102-I106 WeakPolarHBondContact O-CG1 3.46Å; Y102-I106 PolarHBondContact O-N 2.86Å; I106-N108 VanDerWaalsContact C-N 3.26Å; I106-N108 PolarHBondContact O-N 2.92Å; I106-K109 PolarHBondContact O-N 3.3Å; I106-D110 WeakPolarHBondContact CG2-OD2 3.45Å; I106-D110 WeakPolarHBondContact O-CB 3.43Å; I106-D110 VanDerWaalsContact O-CG 3.23Å; I106-D110 PolarHBondContact O-N 3.21Å
107	T	38.4	Very low	39.7	Very low	74 Å²	74	111.1 Å²	111.1	45%	0.454	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-34.2	179.1	50.6	0	0	0	0	112.7	R103 T104 V111	R103-T107 WeakPolarHBondContact O-CG2 3.32Å; R103-T107 PolarHBondContact O-N 3.27Å; R103-T107 PolarHBondContact O-OG1 2.94Å; T104-T107 VanDerWaalsContact CA-OG1 3.26Å; T104-T107 WeakPolarHBondContact CA-OG1 3.31Å; T104-T107 PolarHBondContact O-N 3.4Å; T104-T107 PolarHBondContact O-OG1 3.04Å; T107-V111 WeakPolarHBondContact O-CG2 3.33Å; T107-V111 PolarHBondContact O-N 3.27Å
108	N	37.9	Very low	38.7	Very low	113 Å²	113	111.8 Å²	111.8	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-77	-33.7	176.6	-92	-20.1	0	0	0	113.6	T104 I105 I106 V111 R112	T104-N108 WeakPolarHBondContact O-CB 3.46Å; T104-N108 PolarHBondContact O-N 3.32Å; I105-N108 PolarHBondContact O-N 3.5Å; I106-N108 VanDerWaalsContact C-N 3.26Å; I106-N108 PolarHBondContact O-N 2.92Å; N108-V111 PolarHBondContact O-N 3.3Å; N108-R112 PolarHBondContact O-N 2.88Å; N108-R112 VanDerWaalsContact O-N 3.13Å
109	K	35.1	Very low	38.2	Very low	128 Å²	128	115.2 Å²	115.2	56%	0.557	53%	0.526	S	S	*	.	H	α-helix	trans	-70.4	-38.3	172.6	-84.1	-171.4	174.8	-176.6	0	111.5	I105 I106 V111 R112 N113	I105-K109 HydrophobicContact CG2-CD 4.48Å; I105-K109 WeakPolarHBondContact O-CB 3.46Å; I105-K109 PolarHBondContact O-N 2.93Å; I106-K109 PolarHBondContact O-N 3.3Å; K109-V111 VanDerWaalsContact C-N 3.26Å; K109-V111 PolarHBondContact O-N 2.93Å; K109-R112 PolarHBondContact O-N 3.4Å; K109-R112 VanDerWaalsContact O-N 3.09Å; K109-N113 PolarHBondContact O-N 2.74Å
110	D	33.9	Very low	37.7	Very low	59 Å²	59	115.6 Å²	115.6	32%	0.316	53%	0.529	S	S	.	.	H	α-helix	trans	-59.9	-39.8	173.4	-72.9	-16.9	0	0	0	110.6	I106 N113 Y114 F700	I106-D110 WeakPolarHBondContact CG2-OD2 3.45Å; I106-D110 WeakPolarHBondContact O-CB 3.43Å; I106-D110 VanDerWaalsContact O-CG 3.23Å; I106-D110 PolarHBondContact O-N 3.21Å; D110-N113 PolarHBondContact O-N 3.34Å; D110-Y114 VanDerWaalsContact O-CB 3.25Å; D110-Y114 WeakPolarHBondContact O-CB 3.2Å; D110-Y114 PolarHBondContact O-N 3.42Å; D110-F700 HydrophobicContact CB-CE2 4.22Å
111	V	35.3	Very low	36.8	Very low	55 Å²	55	116 Å²	116	33%	0.333	53%	0.528	S	S	.	.	H	α-helix	trans	-67.2	-34.2	174.1	172.7	0	0	0	0	112.9	T107 N108 K109 Y114 R115	T107-V111 WeakPolarHBondContact O-CG2 3.33Å; T107-V111 PolarHBondContact O-N 3.27Å; N108-V111 PolarHBondContact O-N 3.3Å; K109-V111 VanDerWaalsContact C-N 3.26Å; K109-V111 PolarHBondContact O-N 2.93Å; V111-Y114 WeakPolarHBondContact O-CB 3.2Å; V111-Y114 PolarHBondContact O-N 2.91Å; V111-R115 PolarHBondContact O-N 2.85Å; V111-R115 VanDerWaalsContact O-N 3.07Å
112	R	34.8	Very low	36	Very low	145 Å²	145	122.9 Å²	122.9	55%	0.547	55%	0.554	S	S	.	*	H	α-helix	trans	-70.9	-43.3	173.9	-97.8	-171.6	-169.9	177.9	5.8	112.5	N108 K109 Y114 R115 Y116	N108-R112 PolarHBondContact O-N 2.88Å; N108-R112 VanDerWaalsContact O-N 3.13Å; K109-R112 PolarHBondContact O-N 3.4Å; K109-R112 VanDerWaalsContact O-N 3.09Å; R112-Y114 PolarHBondContact O-N 3.47Å; R112-R115 PolarHBondContact O-N 3.27Å; R112-R115 VanDerWaalsContact O-N 3.16Å; R112-Y116 PolarHBondContact O-N 3.37Å
113	N	35.1	Very low	35.5	Very low	104 Å²	104	125.5 Å²	125.5	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-64.4	-33.8	173.7	-76.7	-6.7	0	0	0	110.8	K109 D110 Y116 F117	K109-N113 PolarHBondContact O-N 2.74Å; D110-N113 PolarHBondContact O-N 3.34Å; N113-Y116 PolarHBondContact O-N 3.05Å; N113-F117 WeakPolarHBondContact O-CB 3.49Å; N113-F117 PolarHBondContact O-N 3.14Å
114	Y	32.1	Very low	34.8	Very low	132 Å²	132	125.3 Å²	125.3	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-63.6	-37.7	172.1	-155.2	-96.6	0	0	0	112.8	D110 V111 R112 K118	D110-Y114 VanDerWaalsContact O-CB 3.25Å; D110-Y114 WeakPolarHBondContact O-CB 3.2Å; D110-Y114 PolarHBondContact O-N 3.42Å; V111-Y114 WeakPolarHBondContact O-CB 3.2Å; V111-Y114 PolarHBondContact O-N 2.91Å; R112-Y114 PolarHBondContact O-N 3.47Å; Y114-K118 WeakPolarHBondContact O-CB 3.26Å; Y114-K118 PolarHBondContact O-N 3.36Å; Y114-K118 VanDerWaalsContact O-N 3.08Å
115	R	32.7	Very low	34.2	Very low	184 Å²	184	129.8 Å²	129.8	69%	0.694	60%	0.601	S	S	*	*	H	α-helix	trans	-69.2	-37	171.6	-87.2	-173.2	-168.2	166.4	4.7	113	V111 R112	V111-R115 PolarHBondContact O-N 2.85Å; V111-R115 VanDerWaalsContact O-N 3.07Å; R112-R115 PolarHBondContact O-N 3.27Å; R112-R115 VanDerWaalsContact O-N 3.16Å
116	Y	32.5	Very low	33.7	Very low	180 Å²	180	130.8 Å²	130.8	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-72.5	-37.6	179.2	-125.3	-88.1	0	0	0	112.2	R112 N113 N119	R112-Y116 PolarHBondContact O-N 3.37Å; N113-Y116 PolarHBondContact O-N 3.05Å; Y116-N119 PolarHBondContact O-N 2.74Å
117	F	33.8	Very low	33.5	Very low	150 Å²	150	129.9 Å²	129.9	66%	0.658	62%	0.616	S	S	*	*	H	α-helix	trans	-72	-34.7	175	-108.9	-88.5	0	0	0	113	N113 N119 N120 H121	N113-F117 WeakPolarHBondContact O-CB 3.49Å; N113-F117 PolarHBondContact O-N 3.14Å; F117-N119 PolarHBondContact O-N 3.42Å; F117-N120 PolarHBondContact O-N 3.33Å; F117-H121 PolarHBondContact O-N 3.04Å
118	K	34.6	Very low	33.3	Very low	117 Å²	117	138.4 Å²	138.4	51%	0.509	64%	0.64	S	S	.	*	H	α-helix	trans	-65.8	-19.2	176.5	-162.8	175.6	-172.4	-179	0	113.2	Y114 S127	Y114-K118 WeakPolarHBondContact O-CB 3.26Å; Y114-K118 PolarHBondContact O-N 3.36Å; Y114-K118 VanDerWaalsContact O-N 3.08Å; K118-S127 PolarHBondContact NZ-OG 3.44Å
119	N	36.8	Very low	33.3	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-14.8	177.1	-74.6	-5.1	0	0	0	114	Y116 F117	Y116-N119 PolarHBondContact O-N 2.74Å; F117-N119 PolarHBondContact O-N 3.42Å
120	N	37.7	Very low	33.6	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	1.7	-172.5	-82.7	-15.3	0	0	0	115.8	F117	F117-N120 PolarHBondContact O-N 3.33Å
121	H	34.2	Very low	33.6	Very low	108 Å²	108	138.4 Å²	138.4	50%	0.5	64%	0.643	S	S	.	*			trans	-134.6	111.4	173.6	-79.5	-76.4	0	0	0	113	F117 I123	F117-H121 PolarHBondContact O-N 3.04Å; H121-I123 PolarHBondContact O-N 2.73Å; H121-I123 VanDerWaalsContact O-N 3.1Å
122	R	28.3	Very low	33.6	Very low	252 Å²	252	141.2 Å²	141.2	95%	0.951	65%	0.653	S	S	*	*			trans	-64.6	95.6	164.2	-89.4	-179.6	168.3	171.2	-4.2	109.5
123	I	32	Very low	33.7	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	64%	0.64	S	S	*	*			trans	-132.7	107.6	142.9	-63	-177	0	0	0	105.9	H121 L125	H121-I123 PolarHBondContact O-N 2.73Å; H121-I123 VanDerWaalsContact O-N 3.1Å; I123-L125 PolarHBondContact O-N 3.31Å
124	Q	26.4	Very low	33.9	Very low	194 Å²	194	138.6 Å²	138.6	91%	0.907	64%	0.642	S	S	*	*			trans	-63.1	113	173	-77.7	168.5	-39.8	0	0	109.2
125	L	30.5	Very low	34	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	65%	0.649	S	S	*	*			trans	-151.6	130.8	146.8	-98.5	159.2	0	0	0	107.4	I123	I123-L125 PolarHBondContact O-N 3.31Å
126	S	28	Very low	34.1	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	64%	0.641	S	S	*	*			trans	-55.4	121.9	-159	51.7	0	0	0	0	115.7
127	S	34.1	Very low	34.2	Very low	44 Å²	44	132 Å²	132	31%	0.308	63%	0.63	S	S	.	*			trans	-147.4	76.4	162.5	63.6	0	0	0	0	113.2	K118	K118-S127 PolarHBondContact NZ-OG 3.44Å
128	R	34.2	Very low	34.2	Very low	252 Å²	252	128.5 Å²	128.5	95%	0.951	62%	0.624	S	S	*	*	S	Bend	trans	-87.4	-9.7	156	-92.3	-176.8	175.3	177.2	-1.2	113
129	R	37.4	Very low	34.2	Very low	142 Å²	142	132.5 Å²	132.5	54%	0.536	64%	0.637	S	S	.	*	S	Bend	trans	-92.9	-20.7	179.5	-70.7	-171.4	-173.1	162.5	9.9	116	A131 H132 K633	R129-A131 VanDerWaalsContact C-N 3.28Å; R129-A131 PolarHBondContact O-N 2.95Å; R129-H132 PolarHBondContact O-N 3.33Å; R129-K633 VanDerWaalsContact NH2-CE 3.32Å
130	H	41.2	Very low	34	Very low	80 Å²	80	134.3 Å²	134.3	37%	0.37	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-9.7	-175.5	-78.1	46.3	0	0	0	115.2	H132 D712	H130-H132 VanDerWaalsContact C-N 3.3Å; H130-D712 IonicContact CE1-OD1 3.93Å
131	A	34.7	Very low	33.7	Very low	78 Å²	78	137.9 Å²	137.9	65%	0.645	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-16.3	173.3	0	0	0	0	0	113.1	R129	R129-A131 VanDerWaalsContact C-N 3.28Å; R129-A131 PolarHBondContact O-N 2.95Å
132	H	35.1	Very low	33.4	Very low	114 Å²	114	135.8 Å²	135.8	53%	0.528	65%	0.651	S	S	.	*	H	α-helix	trans	-79.4	-28	-176.6	-109.9	-90.7	0	0	0	113.9	R129 H130 K135 H136	R129-H132 PolarHBondContact O-N 3.33Å; H130-H132 VanDerWaalsContact C-N 3.3Å; H132-K135 CarbonylContact O-C 3.38Å; H132-K135 PolarHBondContact O-N 3Å; H132-H136 AromaticContact ND1-CD2 3.72Å; H132-H136 AromaticContact ND1-NE2 3.71Å; H132-H136 PolarHBondContact O-CD2 3.28Å; H132-H136 PolarHBondContact O-N 3.21Å
133	F	37.1	Very low	33.4	Very low	64 Å²	64	131.3 Å²	131.3	28%	0.281	65%	0.645	S	S	.	*	H	α-helix	trans	-69.5	-39.8	-174.2	-171.1	-120.5	0	0	0	113.9	K135 H136 L137 Y711	F133-K135 VanDerWaalsContact C-N 3.26Å; F133-K135 PolarHBondContact O-N 3.14Å; F133-H136 PolarHBondContact O-N 3.41Å; F133-L137 HydrophobicContact CD1-CD1 4.09Å; F133-L137 HydrophobicContact CE1-CD1 3.66Å; F133-L137 HydrophobicContact CE2-CD1 4.35Å; F133-L137 HydrophobicContact CZ-CD1 3.82Å; F133-L137 PolarHBondContact O-N 2.89Å; F133-Y711 HydrophobicContact CB-CE2 3.76Å; F133-Y711 HydrophobicContact CD1-CD2 4.17Å; F133-Y711 AromaticContact CD1-CE2 3.95Å; F133-Y711 HydrophobicContact CD1-CE2 3.95Å; F133-Y711 AromaticContact CD2-CD2 4Å; F133-Y711 HydrophobicContact CD2-CD2 4Å; F133-Y711 AromaticContact CD2-CE2 3.24Å; F133-Y711 HydrophobicContact CD2-CE2 3.24Å; F133-Y711 HydrophobicContact CE1-CD2 4.2Å; F133-Y711 HydrophobicContact CE1-CE2 4.32Å; F133-Y711 AromaticContact CE2-CD2 4Å; F133-Y711 HydrophobicContact CE2-CD2 4Å; F133-Y711 AromaticContact CE2-CE2 3.65Å; F133-Y711 HydrophobicContact CE2-CE2 3.65Å; F133-Y711 HydrophobicContact CG-CD2 4.04Å; F133-Y711 AromaticContact CG-CE2 3.37Å; F133-Y711 HydrophobicContact CG-CE2 3.37Å; F133-Y711 HydrophobicContact CZ-CD2 4.1Å; F133-Y711 HydrophobicContact CZ-CE2 4.17Å
134	H	37.5	Very low	33.2	Very low	130 Å²	130	133.2 Å²	133.2	60%	0.602	65%	0.647	S	S	*	*	H	α-helix	trans	-71	-23.4	174	-82.4	-69.8	0	0	0	112.9
135	K	34.5	Very low	33.3	Very low	153 Å²	153	130.3 Å²	130.3	67%	0.665	64%	0.643	S	S	*	*	H	α-helix	trans	-79.7	-26.5	173.2	-131.6	179.4	-178.9	-174.4	0	112.3	H132 F133 S138	H132-K135 CarbonylContact O-C 3.38Å; H132-K135 PolarHBondContact O-N 3Å; F133-K135 VanDerWaalsContact C-N 3.26Å; F133-K135 PolarHBondContact O-N 3.14Å; K135-S138 PolarHBondContact O-OG 3.24Å
136	H	35.9	Very low	33.1	Very low	111 Å²	111	128.8 Å²	128.8	51%	0.514	64%	0.64	S	S	.	*	H	α-helix	trans	-82.7	-25.2	172.6	-89.9	-74.7	0	0	0	113.7	H132 F133 S138 W139	H132-H136 AromaticContact ND1-CD2 3.72Å; H132-H136 AromaticContact ND1-NE2 3.71Å; H132-H136 PolarHBondContact O-CD2 3.28Å; H132-H136 PolarHBondContact O-N 3.21Å; F133-H136 PolarHBondContact O-N 3.41Å; H136-S138 VanDerWaalsContact C-N 3.33Å; H136-W139 PolarHBondContact O-N 2.65Å
137	L	34.7	Very low	33.1	Very low	93 Å²	93	127.7 Å²	127.7	49%	0.487	63%	0.632	S	S	.	*	H	α-helix	trans	-73.7	-21.1	171.8	-102	144.2	0	0	0	113.5	F133 W139 Y140	F133-L137 HydrophobicContact CD1-CD1 4.09Å; F133-L137 HydrophobicContact CE1-CD1 3.66Å; F133-L137 HydrophobicContact CE2-CD1 4.35Å; F133-L137 HydrophobicContact CZ-CD1 3.82Å; F133-L137 PolarHBondContact O-N 2.89Å; L137-W139 PolarHBondContact O-N 3.3Å; L137-Y140 PolarHBondContact O-N 3.01Å
138	S	34.1	Very low	32.7	Very low	77 Å²	77	131.8 Å²	131.8	54%	0.538	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-70.7	-16.2	170.4	44.2	0	0	0	0	114	K135 H136 Y140	K135-S138 PolarHBondContact O-OG 3.24Å; H136-S138 VanDerWaalsContact C-N 3.33Å; S138-Y140 VanDerWaalsContact C-N 3.3Å
139	W	33	Very low	32.4	Very low	202 Å²	202	128.1 Å²	128.1	77%	0.765	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-74.3	-18.7	171.8	-96	26.4	0	0	0	113.5	H136 L137	H136-W139 PolarHBondContact O-N 2.65Å; L137-W139 PolarHBondContact O-N 3.3Å
140	Y	33.6	Very low	32.1	Very low	174 Å²	174	129.4 Å²	129.4	68%	0.682	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-91.9	5.6	-174.2	-134.1	-96.3	0	0	0	114.2	L137 S138 Q729	L137-Y140 PolarHBondContact O-N 3.01Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; Y140-Q729 PolarHBondContact OH-NE2 3.48Å
141	K	31.7	Very low	31.3	Very low	196 Å²	196	133.4 Å²	133.4	85%	0.852	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-120.8	13.8	-172.2	-126.8	-179.1	-175.7	-178.2	0	116.2
142	G	27.8	Very low	31.1	Very low	63 Å²	63	135.2 Å²	135.2	65%	0.649	69%	0.693	S	S	*	*			trans	-175.1	78.4	175.6	0	0	0	0	0	113.7
143	I	27.5	Very low	30.7	Very low	159 Å²	159	134.9 Å²	134.9	82%	0.815	70%	0.703	S	S	*	*			trans	-139	76.5	155.8	-53.9	-179.3	0	0	0	107.8
144	K	27.7	Very low	30.3	Very low	195 Å²	195	141.9 Å²	141.9	85%	0.848	73%	0.734	S	S	*	*	S	Bend	trans	-142.7	120.4	146.9	-136.7	178.2	-174.2	-178.5	0	103.5
145	T	28.8	Very low	29.7	Very low	132 Å²	132	143 Å²	143	81%	0.81	74%	0.744	S	S	*	*	S	Bend	trans	93.8	117.1	175.4	76.8	0	0	0	0	118.7
146	V	27.6	Very low	29.3	Very low	130 Å²	130	142.9 Å²	142.9	79%	0.788	75%	0.748	S	S	*	*			trans	82	96.5	154.6	-158.6	0	0	0	0	116
147	S	27	Very low	28.7	Very low	92 Å²	92	144.9 Å²	144.9	64%	0.643	76%	0.762	S	S	*	*				71.1	112.2	77.9	161.4	0	0	0	0	113.6
148	D	25.4	Very low	28.3	Very low	130 Å²	130	149.9 Å²	149.9	70%	0.695	78%	0.776	S	S	*	*			trans	67.9	140.7	145.8	-53.4	-42.9	0	0	0	122.4
149	H	28.8	Very low	27.9	Very low	175 Å²	175	155.2 Å²	155.2	81%	0.81	79%	0.792	S	S	*	*			trans	85.1	92.2	170.9	-51.6	-65.8	0	0	0	117.1
150	L	30.2	Very low	27.5	Very low	170 Å²	170	152 Å²	152	89%	0.89	80%	0.795	S	S	*	*				171.6	100.1	107.3	-89.5	150.3	0	0	0	111
151	N	25.3	Very low	27.2	Very low	164 Å²	164	150.6 Å²	150.6	88%	0.877	81%	0.805	S	S	*	*			trans	-62.8	130.1	155.3	-83.5	-28.2	0	0	0	109.4
152	S	30.3	Very low	26.8	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	80%	0.8	S	S	*	*			trans	-173	111.3	145.8	175	0	0	0	0	110.1
153	S	26.2	Very low	26.7	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	80%	0.804	S	S	*	*			trans	-57.4	145.3	165.4	48.2	0	0	0	0	112.7
154	K	28.9	Very low	26.6	Very low	210 Å²	210	149.7 Å²	149.7	91%	0.913	80%	0.803	S	S	*	*			trans	-167.6	124.4	137.1	-109.8	171.2	-176.4	179.1	0	111.6
155	N	24.1	Very low	26.6	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	80%	0.799	S	S	*	*			trans	-53.1	143	172.8	-67.9	-32	0	0	0	112.7
156	M	26.4	Very low	26.6	Very low	152 Å²	152	147.1 Å²	147.1	75%	0.749	80%	0.803	S	S	*	*			trans	-140.3	96.7	155.9	-88.1	-77	-165.3	0	0	107.9	Y158	M156-Y158 HydrophobicContact CB-CE2 4.34Å; M156-Y158 HydrophobicContact SD-CE2 3.8Å
157	N	23.8	Very low	26.5	Very low	152 Å²	152	149.3 Å²	149.3	81%	0.813	81%	0.805	S	S	*	*			trans	-69	135.9	161.6	-75.4	-22	0	0	0	108.3
158	Y	26.7	Very low	26.6	Very low	199 Å²	199	151.5 Å²	151.5	78%	0.78	81%	0.809	S	S	*	*			trans	-130.7	110.7	161.1	-85.9	-78.3	0	0	0	109.4	M156	M156-Y158 HydrophobicContact CB-CE2 4.34Å; M156-Y158 HydrophobicContact SD-CE2 3.8Å
159	E	26	Very low	26.7	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-58.6	142.2	168.3	-78.9	171.5	134.1	0	0	111.8
160	T	23.9	Very low	26.7	Very low	135 Å²	135	152.3 Å²	152.3	83%	0.828	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-88.1	116.6	166.6	34.3	0	0	0	0	109.9
161	T	27	Very low	26.7	Very low	143 Å²	143	151.1 Å²	151.1	88%	0.877	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-100.9	119.4	158.8	24.7	0	0	0	0	109.4
162	I	24.1	Very low	26.8	Very low	145 Å²	145	151 Å²	151	74%	0.744	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.5	135.3	168.1	-66.1	167.2	0	0	0	106.6
163	S	25.6	Very low	26.8	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	82%	0.815	S	S	*	*			trans	-125.3	107.5	158.7	65.1	0	0	0	0	108.5	T165	S163-T165 PolarHBondContact O-N 3.22Å
164	D	25.5	Very low	26.7	Very low	148 Å²	148	154.3 Å²	154.3	79%	0.791	82%	0.823	S	S	*	*			trans	-60.4	116.9	162.8	-70.1	-47.8	0	0	0	109
165	T	27.7	Very low	26.6	Very low	125 Å²	125	149.9 Å²	149.9	77%	0.767	82%	0.816	S	S	*	*			trans	-176.6	114	156.3	26.2	0	0	0	0	107.2	S163	S163-T165 PolarHBondContact O-N 3.22Å
166	V	29.1	Very low	26.7	Very low	148 Å²	148	149.7 Å²	149.7	90%	0.897	82%	0.816	S	S	*	*			trans	156.4	66.1	147.6	-176.8	0	0	0	0	106.2
167	H	25.5	Very low	26.7	Very low	177 Å²	177	147 Å²	147	82%	0.819	81%	0.812	S	S	*	*			trans	-119.4	134.1	156.4	-141.3	61.5	0	0	0	103.6
168	N	27.7	Very low	26.7	Very low	137 Å²	137	151.1 Å²	151.1	73%	0.733	82%	0.816	S	S	*	*			trans	98.7	44.3	173.1	-54.2	-17.5	0	0	0	120.5
169	E	28	Very low	26.8	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	82%	0.82	S	S	*	*			trans	-137.3	86.1	156.2	-76.4	-172.8	166.9	0	0	110.9
170	C	28.7	Very low	26.7	Very low	135 Å²	135	150.4 Å²	150.4	91%	0.912	82%	0.816	S	S	*	*			trans	171.8	53.7	150.2	-89.5	0	0	0	0	109.3
171	I	29.6	Very low	26.9	Very low	145 Å²	145	154.3 Å²	154.3	74%	0.744	82%	0.822	S	S	*	*	S	Bend	trans	-115.2	125.5	158.7	-61.1	174.7	0	0	0	102.8
172	N	28.7	Very low	26.8	Very low	161 Å²	161	157 Å²	157	86%	0.861	82%	0.816	S	S	*	*			trans	92.7	69.6	-176.2	-48.1	-25.3	0	0	0	116.2
173	A	29.5	Very low	26.7	Very low	99 Å²	99	155.6 Å²	155.6	82%	0.818	82%	0.819	S	S	*	*			trans	-155.4	93.7	147.5	0	0	0	0	0	109.9	C175	A173-C175 PolarHBondContact O-N 2.83Å
174	E	24.9	Very low	26.7	Very low	194 Å²	194	159.9 Å²	159.9	91%	0.907	82%	0.82	S	S	*	*			trans	-58.1	123.7	156.8	-74.9	178.4	138.4	0	0	108.8
175	C	26.9	Very low	26.6	Very low	116 Å²	116	158.2 Å²	158.2	78%	0.784	82%	0.82	S	S	*	*			trans	-164.8	98.4	154.6	-105.8	0	0	0	0	112.2	A173	A173-C175 PolarHBondContact O-N 2.83Å
176	N	26.6	Very low	26.5	Very low	150 Å²	150	161.3 Å²	161.3	80%	0.802	82%	0.819	S	S	*	*			trans	50.9	116.3	132	-80.8	-33.6	0	0	0	120.8
177	S	24.7	Very low	26.3	Very low	96 Å²	96	164.9 Å²	164.9	67%	0.671	82%	0.816	S	S	*	*	S	Bend	trans	-34.5	146.7	149.2	57.6	0	0	0	0	114.7
178	R	24.7	Very low	26.2	Very low	238 Å²	238	163.4 Å²	163.4	90%	0.898	82%	0.82	S	S	*	*			trans	77.5	87	169.6	-54.5	176.9	178.3	179.8	-0.2	115.4
179	K	27.7	Very low	26.1	Very low	198 Å²	198	163.8 Å²	163.8	86%	0.861	82%	0.821	S	S	*	*			trans	-161.1	108.9	150.4	-107.7	159.1	-171.6	-178	0	111.9
180	H	25.5	Very low	26	Very low	175 Å²	175	159.7 Å²	159.7	81%	0.81	81%	0.813	S	S	*	*			trans	23.3	108	150.9	-61.5	-78	0	0	0	119.6	R182	H180-R182 VanDerWaalsContact C-N 3.34Å; H180-R182 PolarHBondContact O-N 3.05Å; H180-R182 VanDerWaalsContact O-N 3.11Å
181	F	26.5	Very low	26	Very low	216 Å²	216	156.6 Å²	156.6	95%	0.947	79%	0.792	S	S	*	*			trans	-72.8	96.1	146	-103.5	-87.8	0	0	0	108.1
182	R	25.2	Very low	25.9	Very low	201 Å²	201	156.7 Å²	156.7	76%	0.758	79%	0.79	S	S	*	*			trans	-55.3	134.8	167.8	-88	176.1	167.7	165.9	-4.7	110.2	H180 Y184	H180-R182 VanDerWaalsContact C-N 3.34Å; H180-R182 PolarHBondContact O-N 3.05Å; H180-R182 VanDerWaalsContact O-N 3.11Å; R182-Y184 WeakPolarHBondContact O-CD2 3.3Å; R182-Y184 PolarHBondContact O-N 2.88Å
183	S	23	Very low	26.1	Very low	114 Å²	114	153.6 Å²	153.6	80%	0.797	78%	0.781	S	S	*	*			trans	-45.4	116.5	155.8	33.2	0	0	0	0	111
184	Y	24.9	Very low	26.1	Very low	197 Å²	197	152.5 Å²	152.5	77%	0.773	77%	0.767	S	S	*	*			trans	-97.7	94	165.4	-80.5	-83	0	0	0	108.8	R182 Y186	R182-Y184 WeakPolarHBondContact O-CD2 3.3Å; R182-Y184 PolarHBondContact O-N 2.88Å; Y184-Y186 PolarHBondContact O-N 3.17Å
185	S	22.7	Very low	26.3	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	74%	0.742	S	S	*	*			trans	-67	110.5	160	51.5	0	0	0	0	108.6	R187	S185-R187 PolarHBondContact O-N 2.84Å
186	Y	27	Very low	26.5	Very low	190 Å²	190	145.4 Å²	145.4	75%	0.745	73%	0.728	S	S	*	*			trans	-74.5	115	167.9	-104	-89.8	0	0	0	109	Y184 T188	Y184-Y186 PolarHBondContact O-N 3.17Å; Y186-T188 PolarHBondContact O-N 3.46Å
187	R	24	Very low	26.9	Very low	223 Å²	223	147 Å²	147	84%	0.842	72%	0.723	S	S	*	*			trans	-34.5	122.6	166.5	-97.7	174	169.2	170.7	-4	111.1	S185 I189	S185-R187 PolarHBondContact O-N 2.84Å; R187-I189 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 3.13Å
188	T	23.2	Very low	27.4	Very low	146 Å²	146	147.9 Å²	147.9	90%	0.896	72%	0.715	S	S	*	*			trans	-56.6	91.8	159.9	34.4	0	0	0	0	109.5	Y186	Y186-T188 PolarHBondContact O-N 3.46Å
189	I	26.6	Very low	28	Very low	146 Å²	146	141.9 Å²	141.9	75%	0.749	70%	0.697	S	S	*	*			trans	-87.5	110.6	159	-62.6	175.4	0	0	0	105.3	R187 S191	R187-I189 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 3.13Å; I189-S191 PolarHBondContact O-N 3.23Å
190	S	24.7	Very low	28.5	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	69%	0.685	S	S	*	*			trans	-34.9	100.8	-179.8	57.2	0	0	0	0	113.7
191	S	29.3	Very low	29.3	Very low	70 Å²	70	135.3 Å²	135.3	49%	0.49	67%	0.67	S	S	.	*			trans	-101.4	2.9	170.7	70.1	0	0	0	0	113.1	I189 S193 S194 S195	I189-S191 PolarHBondContact O-N 3.23Å; S191-S193 PolarHBondContact O-N 2.82Å; S191-S194 PolarHBondContact O-N 3.02Å; S191-S194 PolarHBondContact O-OG 3.26Å; S191-S195 PolarHBondContact O-N 2.97Å; S191-S195 PolarHBondContact O-OG 2.99Å
192	E	28.5	Very low	30	Very low	147 Å²	147	129.6 Å²	129.6	69%	0.687	65%	0.648	S	S	*	*	H	α-helix	trans	-50.9	-29.5	-173.6	-80.7	177.8	152.1	0	0	114.2	H196	E192-H196 WeakPolarHBondContact O-CB 3.44Å; E192-H196 PolarHBondContact O-CD2 3.48Å; E192-H196 VanDerWaalsContact O-CD2 3.27Å; E192-H196 PolarHBondContact O-N 2.83Å
193	S	31.7	Very low	30.9	Very low	97 Å²	97	125.1 Å²	125.1	68%	0.678	64%	0.636	S	S	*	*	H	α-helix	trans	-80.3	-19.7	179.4	67.4	0	0	0	0	114.7	S191	S191-S193 PolarHBondContact O-N 2.82Å
194	S	29.4	Very low	32.2	Very low	75 Å²	75	126.7 Å²	126.7	52%	0.524	63%	0.625	S	S	.	*	H	α-helix	trans	-98.2	-34.4	-176.9	69.6	0	0	0	0	112.9	S191 F198	S191-S194 PolarHBondContact O-N 3.02Å; S191-S194 PolarHBondContact O-OG 3.26Å; S194-F198 PolarHBondContact O-N 3.18Å
195	S	29.8	Very low	33.4	Very low	54 Å²	54	123 Å²	123	38%	0.378	61%	0.611	S	S	.	*	H	α-helix	trans	-69.8	-43.8	172.8	31.8	0	0	0	0	111.4	S191 R197 F198 E199	S191-S195 PolarHBondContact O-N 2.97Å; S191-S195 PolarHBondContact O-OG 2.99Å; S195-R197 VanDerWaalsContact C-N 3.29Å; S195-R197 PolarHBondContact O-N 3.04Å; S195-F198 PolarHBondContact O-N 3.28Å; S195-E199 PolarHBondContact O-N 2.92Å
196	H	31.2	Very low	34.3	Very low	108 Å²	108	120.3 Å²	120.3	50%	0.5	60%	0.595	S	S	.	*	H	α-helix	trans	-60.8	-36.1	175	-91.5	-58.4	0	0	0	113.2	E192 F198 Y200	E192-H196 WeakPolarHBondContact O-CB 3.44Å; E192-H196 PolarHBondContact O-CD2 3.48Å; E192-H196 VanDerWaalsContact O-CD2 3.27Å; E192-H196 PolarHBondContact O-N 2.83Å; H196-F198 VanDerWaalsContact C-N 3.33Å; H196-Y200 PolarHBondContact O-N 3.46Å; H196-Y200 VanDerWaalsContact O-N 3.14Å
197	R	34.3	Very low	35.5	Very low	184 Å²	184	116 Å²	116	69%	0.694	58%	0.584	S	S	*	*	H	α-helix	trans	-67.7	-33.2	174.1	-83.7	-176.8	176.6	-179.7	0.8	112.3	S195 T201	S195-R197 VanDerWaalsContact C-N 3.29Å; S195-R197 PolarHBondContact O-N 3.04Å; R197-T201 PolarHBondContact O-N 3.32Å; R197-T201 PolarHBondContact O-OG1 3.41Å
198	F	36	Very low	36.7	Very low	114 Å²	114	108.8 Å²	108.8	50%	0.5	56%	0.559	S	S	.	*	H	α-helix	trans	-77.2	-41.5	179.5	-147.3	-98.3	0	0	0	111.8	S194 S195 H196 T201 I202	S194-F198 PolarHBondContact O-N 3.18Å; S195-F198 PolarHBondContact O-N 3.28Å; H196-F198 VanDerWaalsContact C-N 3.33Å; F198-T201 PolarHBondContact O-N 3.44Å; F198-I202 HydrophobicContact CD1-CD1 3.6Å; F198-I202 HydrophobicContact CD1-CG1 4.33Å; F198-I202 HydrophobicContact CE1-CD1 3.7Å; F198-I202 HydrophobicContact CE1-CG1 4.45Å; F198-I202 WeakPolarHBondContact O-CG1 3.43Å; F198-I202 PolarHBondContact O-N 2.81Å
199	E	36.9	Very low	38.1	Very low	111 Å²	111	106.6 Å²	106.6	52%	0.519	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-47.3	175.4	-110.5	-177	159.5	0	0	112.4	S195 T201 I202 Q203	S195-E199 PolarHBondContact O-N 2.92Å; E199-T201 VanDerWaalsContact C-N 3.28Å; E199-T201 PolarHBondContact O-N 3.5Å; E199-I202 PolarHBondContact O-N 3.47Å; E199-Q203 PolarHBondContact O-N 3.41Å
200	Y	39.3	Very low	39	Very low	156 Å²	156	108.2 Å²	108.2	61%	0.612	54%	0.539	S	S	*	.	H	α-helix	trans	-61.6	-37.3	177.3	-104.2	-83	0	0	0	112.2	H196 Y204	H196-Y200 PolarHBondContact O-N 3.46Å; H196-Y200 VanDerWaalsContact O-N 3.14Å; Y200-Y204 WeakPolarHBondContact O-CB 3.44Å; Y200-Y204 PolarHBondContact O-N 2.91Å
201	T	41.9	Very low	40.4	Very low	79 Å²	79	107 Å²	107	49%	0.485	52%	0.524	S	S	.	.	H	α-helix	trans	-70.4	-36.3	179.7	-43.5	0	0	0	0	111.4	R197 F198 E199 Y205	R197-T201 PolarHBondContact O-N 3.32Å; R197-T201 PolarHBondContact O-OG1 3.41Å; F198-T201 PolarHBondContact O-N 3.44Å; E199-T201 VanDerWaalsContact C-N 3.28Å; E199-T201 PolarHBondContact O-N 3.5Å; T201-Y205 HydrophobicContact CG2-CD2 4.5Å; T201-Y205 PolarHBondContact O-N 3.4Å; T201-Y205 VanDerWaalsContact O-N 3.15Å
202	I	41.5	Very low	41.5	Very low	96 Å²	96	106.8 Å²	106.8	49%	0.492	52%	0.517	S	S	.	.	H	α-helix	trans	-70.6	-43.8	175.5	-69.8	173.5	0	0	0	111	F198 E199 Y204 Y205 A206	F198-I202 HydrophobicContact CD1-CD1 3.6Å; F198-I202 HydrophobicContact CD1-CG1 4.33Å; F198-I202 HydrophobicContact CE1-CD1 3.7Å; F198-I202 HydrophobicContact CE1-CG1 4.45Å; F198-I202 WeakPolarHBondContact O-CG1 3.43Å; F198-I202 PolarHBondContact O-N 2.81Å; E199-I202 PolarHBondContact O-N 3.47Å; I202-Y204 PolarHBondContact O-N 2.88Å; I202-Y205 PolarHBondContact O-N 2.94Å; I202-A206 WeakPolarHBondContact O-CB 3.48Å; I202-A206 PolarHBondContact O-N 3.41Å
203	Q	42.3	Very low	42.3	Very low	107 Å²	107	106.5 Å²	106.5	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-43.5	176.5	-76.3	-178.6	-5.8	0	0	111.6	E199 Y205 A206 I207	E199-Q203 PolarHBondContact O-N 3.41Å; Q203-Y205 VanDerWaalsContact C-N 3.31Å; Q203-Y205 PolarHBondContact O-N 3.13Å; Q203-A206 PolarHBondContact O-N 3.48Å; Q203-I207 WeakPolarHBondContact O-CG1 3.44Å; Q203-I207 PolarHBondContact O-N 3.03Å
204	Y	50.2	Low	43	Very low	147 Å²	147	104.5 Å²	104.5	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-62.1	-39	175.9	-130.3	-84.6	0	0	0	112	Y200 I202 F208	Y200-Y204 WeakPolarHBondContact O-CB 3.44Å; Y200-Y204 PolarHBondContact O-N 2.91Å; I202-Y204 PolarHBondContact O-N 2.88Å; Y204-F208 VanDerWaalsContact O-CB 3.31Å; Y204-F208 WeakPolarHBondContact O-CB 3.43Å; Y204-F208 PolarHBondContact O-N 3.3Å
205	Y	50.3	Low	43.9	Very low	119 Å²	119	105.5 Å²	105.5	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-70.2	-34.6	175.6	-105.7	-83.1	0	0	0	113.2	T201 I202 Q203 F208 L209	T201-Y205 HydrophobicContact CG2-CD2 4.5Å; T201-Y205 PolarHBondContact O-N 3.4Å; T201-Y205 VanDerWaalsContact O-N 3.15Å; I202-Y205 PolarHBondContact O-N 2.94Å; Q203-Y205 VanDerWaalsContact C-N 3.31Å; Q203-Y205 PolarHBondContact O-N 3.13Å; Y205-F208 WeakPolarHBondContact O-CB 3.37Å; Y205-F208 PolarHBondContact O-N 3.23Å; Y205-L209 PolarHBondContact O-N 3.43Å
206	A	43.2	Very low	44.7	Very low	56 Å²	56	106.9 Å²	106.9	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-68.1	-44.9	175.6	0	0	0	0	0	111.2	I202 Q203 F208 L209 Y210	I202-A206 WeakPolarHBondContact O-CB 3.48Å; I202-A206 PolarHBondContact O-N 3.41Å; Q203-A206 PolarHBondContact O-N 3.48Å; A206-F208 VanDerWaalsContact C-N 3.27Å; A206-F208 PolarHBondContact O-N 3.27Å; A206-L209 PolarHBondContact O-N 3.02Å; A206-Y210 WeakPolarHBondContact O-CB 3.19Å; A206-Y210 PolarHBondContact O-N 2.9Å
207	I	50.9	Low	44.9	Very low	99 Å²	99	107.5 Å²	107.5	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-59.4	-42.3	172.2	-66.3	165.9	0	0	0	110	Q203 Y210 I211	Q203-I207 WeakPolarHBondContact O-CG1 3.44Å; Q203-I207 PolarHBondContact O-N 3.03Å; I207-Y210 PolarHBondContact O-N 2.98Å; I207-I211 HydrophobicContact CG2-CD1 3.78Å; I207-I211 HydrophobicContact CG2-CG1 4.41Å; I207-I211 VanDerWaalsContact O-CG1 3.32Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.16Å
208	F	50	Low	44.6	Very low	72 Å²	72	104 Å²	104	32%	0.316	52%	0.518	S	S	.	.	H	α-helix	trans	-60.9	-46.9	177.1	-170.4	-92.7	0	0	0	112.6	F62 Y204 Y205 A206 I211 L212	F62-F208 HydrophobicContact CE2-CD2 4.47Å; F62-F208 AromaticContact CE2-CE2 3.52Å; F62-F208 HydrophobicContact CE2-CE2 3.52Å; F62-F208 HydrophobicContact CE2-CZ 4.25Å; F62-F208 HydrophobicContact CZ-CD2 4.27Å; F62-F208 AromaticContact CZ-CE2 3.48Å; F62-F208 HydrophobicContact CZ-CE2 3.48Å; F62-F208 VanDerWaalsContact CZ-CE2 3.48Å; F62-F208 HydrophobicContact CZ-CZ 4.17Å; Y204-F208 VanDerWaalsContact O-CB 3.31Å; Y204-F208 WeakPolarHBondContact O-CB 3.43Å; Y204-F208 PolarHBondContact O-N 3.3Å; Y205-F208 WeakPolarHBondContact O-CB 3.37Å; Y205-F208 PolarHBondContact O-N 3.23Å; A206-F208 VanDerWaalsContact C-N 3.27Å; A206-F208 PolarHBondContact O-N 3.27Å; F208-I211 PolarHBondContact O-N 3.07Å; F208-L212 HydrophobicContact CD1-CD1 4.1Å; F208-L212 HydrophobicContact CE1-CD1 3.58Å; F208-L212 HydrophobicContact CZ-CD1 4.3Å; F208-L212 WeakPolarHBondContact O-CB 3.35Å; F208-L212 PolarHBondContact O-N 3Å
209	L	51.3	Low	44.3	Very low	101 Å²	101	107.2 Å²	107.2	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-36.8	176	-80.5	166.9	0	0	0	112.4	Y205 A206 L212 F213	Y205-L209 PolarHBondContact O-N 3.43Å; A206-L209 PolarHBondContact O-N 3.02Å; L209-L212 PolarHBondContact O-N 3.43Å; L209-F213 PolarHBondContact O-N 3.19Å
210	Y	47.1	Very low	43.8	Very low	179 Å²	179	107.6 Å²	107.6	70%	0.702	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-45.9	176.7	-173.2	-93.5	0	0	0	111.6	A206 I207 L212 F213 A214	A206-Y210 WeakPolarHBondContact O-CB 3.19Å; A206-Y210 PolarHBondContact O-N 2.9Å; I207-Y210 PolarHBondContact O-N 2.98Å; Y210-L212 VanDerWaalsContact C-N 3.28Å; Y210-L212 PolarHBondContact O-N 2.98Å; Y210-F213 PolarHBondContact O-N 3.29Å; Y210-A214 WeakPolarHBondContact O-CB 3.3Å; Y210-A214 PolarHBondContact O-N 2.89Å
211	I	52.7	Low	43.1	Very low	75 Å²	75	107.8 Å²	107.8	39%	0.385	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-37.5	174.8	-66.4	168.5	0	0	0	110.7	I207 F208 A214 L215	I207-I211 HydrophobicContact CG2-CD1 3.78Å; I207-I211 HydrophobicContact CG2-CG1 4.41Å; I207-I211 VanDerWaalsContact O-CG1 3.32Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.16Å; F208-I211 PolarHBondContact O-N 3.07Å; I211-A214 PolarHBondContact O-N 3.48Å; I211-L215 HydrophobicContact CG2-CD1 3.77Å; I211-L215 HydrophobicContact CG2-CG 4.32Å; I211-L215 WeakPolarHBondContact O-CB 3.24Å; I211-L215 VanDerWaalsContact O-CG 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.24Å; I211-L215 PolarHBondContact O-N 2.87Å
212	L	52.4	Low	42.5	Very low	67 Å²	67	111.7 Å²	111.7	35%	0.351	58%	0.576	S	S	.	*	H	α-helix	trans	-65.8	-38.3	176.8	-133.5	149.9	0	0	0	111.7	F208 L209 Y210 S216	F208-L212 HydrophobicContact CD1-CD1 4.1Å; F208-L212 HydrophobicContact CE1-CD1 3.58Å; F208-L212 HydrophobicContact CZ-CD1 4.3Å; F208-L212 WeakPolarHBondContact O-CB 3.35Å; F208-L212 PolarHBondContact O-N 3Å; L209-L212 PolarHBondContact O-N 3.43Å; Y210-L212 VanDerWaalsContact C-N 3.28Å; Y210-L212 PolarHBondContact O-N 2.98Å; L212-S216 PolarHBondContact O-N 3.09Å; L212-S216 VanDerWaalsContact O-N 3.13Å; L212-S216 PolarHBondContact O-OG 3.39Å
213	F	47	Very low	41.7	Very low	140 Å²	140	110.5 Å²	110.5	61%	0.614	59%	0.587	S	S	*	*	H	α-helix	trans	-69.6	-41.6	173.8	-108.4	-79.4	0	0	0	112.2	L209 Y210 L215 S216 N217	L209-F213 PolarHBondContact O-N 3.19Å; Y210-F213 PolarHBondContact O-N 3.29Å; F213-L215 VanDerWaalsContact C-N 3.35Å; F213-L215 PolarHBondContact O-N 2.87Å; F213-S216 WeakPolarHBondContact CA-OG 3.38Å; F213-S216 PolarHBondContact O-N 3.49Å; F213-S216 PolarHBondContact O-OG 3.27Å; F213-N217 WeakPolarHBondContact O-CB 3.21Å; F213-N217 PolarHBondContact O-N 3.23Å; F213-N217 VanDerWaalsContact O-N 3.07Å
214	A	46.3	Very low	40.8	Very low	55 Å²	55	115.3 Å²	115.3	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-63.5	-39.8	176.3	0	0	0	0	0	112	Y210 I211	Y210-A214 WeakPolarHBondContact O-CB 3.3Å; Y210-A214 PolarHBondContact O-N 2.89Å; I211-A214 PolarHBondContact O-N 3.48Å
215	L	47.4	Very low	39.7	Very low	97 Å²	97	113.4 Å²	113.4	51%	0.508	61%	0.612	S	S	.	*	H	α-helix	trans	-70.9	-30.6	176.9	-74.9	167.4	0	0	0	113.4	I211 F213	I211-L215 HydrophobicContact CG2-CD1 3.77Å; I211-L215 HydrophobicContact CG2-CG 4.32Å; I211-L215 WeakPolarHBondContact O-CB 3.24Å; I211-L215 VanDerWaalsContact O-CG 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.24Å; I211-L215 PolarHBondContact O-N 2.87Å; F213-L215 VanDerWaalsContact C-N 3.35Å; F213-L215 PolarHBondContact O-N 2.87Å
216	S	45.6	Very low	38.4	Very low	82 Å²	82	114 Å²	114	57%	0.573	63%	0.628	S	S	*	*	H	α-helix	trans	-84.6	-14.9	178	44.2	0	0	0	0	113.9	L212 F213	L212-S216 PolarHBondContact O-N 3.09Å; L212-S216 VanDerWaalsContact O-N 3.13Å; L212-S216 PolarHBondContact O-OG 3.39Å; F213-S216 WeakPolarHBondContact CA-OG 3.38Å; F213-S216 PolarHBondContact O-N 3.49Å; F213-S216 PolarHBondContact O-OG 3.27Å
217	N	35.6	Very low	37.7	Very low	122 Å²	122	116.8 Å²	116.8	65%	0.652	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	10.1	174.6	-86.9	-15.4	0	0	0	114.7	F213 Q219	F213-N217 WeakPolarHBondContact O-CB 3.21Å; F213-N217 PolarHBondContact O-N 3.23Å; F213-N217 VanDerWaalsContact O-N 3.07Å; N217-Q219 PolarHBondContact O-N 2.51Å
218	V	29.8	Very low	36.6	Very low	110 Å²	110	119.9 Å²	119.9	67%	0.667	66%	0.661	S	S	*	*			trans	-76	79.9	169.1	-172.3	0	0	0	0	108.5
219	Q	29.3	Very low	35.5	Very low	181 Å²	181	120.6 Å²	120.6	85%	0.846	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-72.9	123.5	161.3	-91.8	-179.3	-22.6	0	0	108.5	N217 I221	N217-Q219 PolarHBondContact O-N 2.51Å; Q219-I221 PolarHBondContact O-N 2.83Å
220	C	25.8	Very low	34.3	Very low	120 Å²	120	122.4 Å²	122.4	81%	0.811	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-55.9	125.5	173.5	-65.4	0	0	0	0	110.7	N222	C220-N222 PolarHBondContact O-N 2.99Å
221	I	24	Very low	33.3	Very low	160 Å²	160	121.4 Å²	121.4	82%	0.821	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-63.4	119.9	167.9	-63.6	163.9	0	0	0	107.9	Q219	Q219-I221 PolarHBondContact O-N 2.83Å
222	N	29.2	Very low	32	Very low	160 Å²	160	121.4 Å²	121.4	86%	0.856	71%	0.709	S	S	*	*			trans	-128.3	129.4	152.5	-95	-20.8	0	0	0	107.7	C220	C220-N222 PolarHBondContact O-N 2.99Å
223	G	24.7	Very low	30.9	Very low	71 Å²	71	125 Å²	125	73%	0.732	73%	0.734	S	S	*	*			trans	-59.8	166.2	-170.9	0	0	0	0	0	114.4
224	K	24.8	Very low	29.7	Very low	209 Å²	209	128.6 Å²	128.6	91%	0.909	75%	0.75	S	S	*	*			cis	-157.5	168	43.8	-104.9	176.7	173.7	177.7	0	110.9
225	P	25.9	Very low	28.6	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	77%	0.766	S	S	*	*			trans	-110.6	-175.3	-163.6	42.8	-33	0	0	0	115.4
226	T	24.3	Very low	27.7	Very low	131 Å²	131	134.5 Å²	134.5	80%	0.804	78%	0.782	S	S	*	*			trans	76.4	106.8	155.4	52	0	0	0	0	120.1
227	S	28.6	Very low	26.7	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	80%	0.795	S	S	*	*				-176	130.2	106.8	56.6	0	0	0	0	112.4
228	L	26.5	Very low	26.3	Very low	163 Å²	163	136.9 Å²	136.9	85%	0.853	80%	0.803	S	S	*	*			trans	-3.3	148.1	143.1	-87.4	88.1	0	0	0	117.4
229	S	26.6	Very low	26.1	Very low	88 Å²	88	137.2 Å²	137.2	62%	0.615	81%	0.81	S	S	*	*			cis	-179.1	150.4	26.9	49.1	0	0	0	0	111.3
230	I	27	Very low	26	Very low	139 Å²	139	133.4 Å²	133.4	71%	0.713	80%	0.803	S	S	*	*			trans	73.9	114.1	139.7	-63.7	161.4	0	0	0	119.4
231	N	26.9	Very low	26.1	Very low	158 Å²	158	134.7 Å²	134.7	85%	0.845	80%	0.8	S	S	*	*			trans	67.8	137.1	147.1	-64.4	-9.9	0	0	0	121.1
232	G	25.5	Very low	26.3	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	81%	0.805	S	S	*	*			trans	113.1	99.1	147.3	0	0	0	0	0	114.2
233	T	27.5	Very low	26.1	Very low	144 Å²	144	135.5 Å²	135.5	88%	0.883	80%	0.798	S	S	*	*			trans	-51.5	129.1	173.6	39.5	0	0	0	0	114.4	A235	T233-A235 PolarHBondContact O-N 3.39Å
234	F	22.9	Very low	26.3	Very low	214 Å²	214	137.5 Å²	137.5	94%	0.939	80%	0.801	S	S	*	*			trans	-17	108.6	166.2	-83.3	-96.2	0	0	0	117.8
235	A	22	Very low	26.4	Very low	97 Å²	97	135.3 Å²	135.3	80%	0.802	80%	0.8	S	S	*	*			trans	-137.9	108.6	138.5	0	0	0	0	0	107.1	T233	T233-A235 PolarHBondContact O-N 3.39Å
236	E	28.7	Very low	26.5	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	81%	0.808	S	S	*	*			trans	-151.7	105.6	165.6	-117.3	172.4	-161.7	0	0	111.1
237	T	24.6	Very low	26.7	Very low	139 Å²	139	136.8 Å²	136.8	85%	0.853	80%	0.801	S	S	*	*			trans	-29.5	133.8	145.3	19.8	0	0	0	0	114.5
238	S	28.6	Very low	26.5	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	80%	0.797	S	S	*	*			trans	-151.3	102.3	147	60.9	0	0	0	0	111
239	S	24	Very low	26.6	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	80%	0.797	S	S	*	*			trans	-62.3	139.1	156.2	47.8	0	0	0	0	111.9
240	S	29.1	Very low	26.6	Very low	101 Å²	101	133.5 Å²	133.5	71%	0.706	80%	0.802	S	S	*	*			trans	-155.5	100.3	150.5	58.9	0	0	0	0	107.5
241	I	27.1	Very low	26.6	Very low	147 Å²	147	134.8 Å²	134.8	75%	0.754	81%	0.808	S	S	*	*				53.8	97.1	101	-55.8	169.1	0	0	0	111.5
242	Y	28.5	Very low	26.4	Very low	234 Å²	234	132.5 Å²	132.5	92%	0.918	81%	0.805	S	S	*	*			trans	-131.7	96.1	145.7	-103.8	-81.3	0	0	0	107.7
243	S	24.8	Very low	26.4	Very low	102 Å²	102	134.1 Å²	134.1	71%	0.713	80%	0.802	S	S	*	*			trans	-81.6	125.6	164.4	50.9	0	0	0	0	109.3
244	S	29.3	Very low	26.2	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	80%	0.801	S	S	*	*			trans	-152.9	99	146.6	59.2	0	0	0	0	108.6
245	N	26.6	Very low	26.4	Very low	163 Å²	163	129.4 Å²	129.4	87%	0.872	79%	0.789	S	S	*	*			trans	-57.1	132.8	160.7	-80.3	-24.8	0	0	0	109.6
246	M	28.5	Very low	26.5	Very low	176 Å²	176	130.2 Å²	130.2	87%	0.867	79%	0.789	S	S	*	*			trans	-148.2	101.7	143.3	-96.7	-67.6	161.1	0	0	107
247	S	27.1	Very low	26.3	Very low	93 Å²	93	129.3 Å²	129.3	65%	0.65	79%	0.789	S	S	*	*			trans	-7.4	150.2	135.4	39.9	0	0	0	0	115.6
248	S	24.9	Very low	26.2	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	78%	0.782	S	S	*	*			cis	176	170.5	9.1	43.3	0	0	0	0	106
249	S	29	Very low	26.1	Very low	122 Å²	122	127.8 Å²	127.8	85%	0.853	78%	0.781	S	S	*	*			trans	85.2	114.2	178.7	76.3	0	0	0	0	113.4
250	G	25.3	Very low	26.2	Very low	69 Å²	69	127.7 Å²	127.7	71%	0.711	78%	0.778	S	S	*	*			cis	110.7	94.1	24.8	0	0	0	0	0	107.7
251	I	28.8	Very low	25.8	Very low	166 Å²	166	128 Å²	128	85%	0.851	78%	0.78	S	S	*	*			trans	-165.2	108.5	152.2	-82.6	133.6	0	0	0	105.6
252	S	22.1	Very low	25.7	Very low	110 Å²	110	127.9 Å²	127.9	77%	0.769	78%	0.78	S	S	*	*			trans	-86.9	152.3	145.8	82.8	0	0	0	0	106.7
253	P	24.8	Very low	25.4	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	77%	0.771	S	S	*	*				-146.1	159.7	98.7	33	-14.6	0	0	0	114.7
254	N	24.1	Very low	25.3	Very low	161 Å²	161	125.4 Å²	125.4	86%	0.861	77%	0.771	S	S	*	*			trans	-35.5	133.8	164.5	-64.3	-36.1	0	0	0	114.1
255	S	26.8	Very low	24.9	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	77%	0.768	S	S	*	*			trans	-146.9	101.7	143.8	48.7	0	0	0	0	110	L257	S255-L257 PolarHBondContact O-N 2.47Å
256	S	23.3	Very low	24.8	Very low	114 Å²	114	122 Å²	122	80%	0.797	76%	0.76	S	S	*	*			trans	-52.8	119.4	154.3	48.8	0	0	0	0	109.5
257	L	25.4	Very low	24.6	Very low	161 Å²	161	120.7 Å²	120.7	84%	0.843	76%	0.757	S	S	*	*			trans	-126.3	96.2	164.3	-91	152	0	0	0	107.9	S255	S255-L257 PolarHBondContact O-N 2.47Å
258	S	23.2	Very low	24.4	Very low	100 Å²	100	124.5 Å²	124.5	70%	0.699	76%	0.764	S	S	*	*			trans	-43	144.6	165.6	-36.7	0	0	0	0	111.2
259	P	25.7	Very low	24.4	Very low	121 Å²	121	124.8 Å²	124.8	79%	0.786	76%	0.761	S	S	*	*			trans	-63.3	132.2	167.8	28.4	-30.4	0	0	0	108.1	S261	P259-S261 PolarHBondContact O-N 2.82Å; P259-S261 VanDerWaalsContact O-N 3.16Å
260	P	25.4	Very low	24.2	Very low	116 Å²	116	125 Å²	125	75%	0.753	76%	0.758	S	S	*	*			trans	-67	119.6	176.7	26.5	-29.8	0	0	0	108.6	L262	P260-L262 PolarHBondContact O-N 3.15Å; P260-L262 VanDerWaalsContact O-N 3.14Å
261	S	22.3	Very low	24.2	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	77%	0.769	S	S	*	*			trans	-59.7	105	161.2	48.1	0	0	0	0	108.9	P259	P259-S261 PolarHBondContact O-N 2.82Å; P259-S261 VanDerWaalsContact O-N 3.16Å
262	L	23.6	Very low	24	Very low	145 Å²	145	127.7 Å²	127.7	76%	0.759	76%	0.764	S	S	*	*			trans	-94.6	91.2	162.3	-93.6	157.4	0	0	0	108.1	P260 I264	P260-L262 PolarHBondContact O-N 3.15Å; P260-L262 VanDerWaalsContact O-N 3.14Å; L262-I264 HydrophobicContact CD2-CG1 4.38Å; L262-I264 PolarHBondContact O-N 2.84Å
263	I	21.9	Very low	24.1	Very low	143 Å²	143	128.2 Å²	128.2	73%	0.733	77%	0.768	S	S	*	*			trans	-65.5	109.8	155.5	-63	167.8	0	0	0	105.5
264	I	23.8	Very low	24.1	Very low	140 Å²	140	127.6 Å²	127.6	72%	0.718	77%	0.766	S	S	*	*			trans	-117.2	91.2	158	-60.8	178	0	0	0	105.4	L262	L262-I264 HydrophobicContact CD2-CG1 4.38Å; L262-I264 PolarHBondContact O-N 2.84Å
265	S	21.3	Very low	24.3	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	77%	0.766	S	S	*	*			trans	-80.7	115.7	155.6	60	0	0	0	0	107.6
266	S	24.3	Very low	24.3	Very low	103 Å²	103	129 Å²	129	72%	0.72	77%	0.771	S	S	*	*			trans	-168.8	115.8	140.5	54.9	0	0	0	0	108.1
267	N	22.7	Very low	24.5	Very low	149 Å²	149	131 Å²	131	80%	0.797	77%	0.772	S	S	*	*			trans	-34	135.6	160.1	-62.3	-32.9	0	0	0	111.4
268	H	24.6	Very low	24.6	Very low	173 Å²	173	131 Å²	131	80%	0.801	77%	0.772	S	S	*	*				-172.2	106.1	127.9	-95.2	-62.7	0	0	0	109.7
269	T	23.9	Very low	24.7	Very low	110 Å²	110	134.3 Å²	134.3	68%	0.675	78%	0.779	S	S	*	*				39.5	109.2	129.5	47.2	0	0	0	0	118.9
270	T	24.6	Very low	24.8	Very low	127 Å²	127	134.8 Å²	134.8	78%	0.779	77%	0.773	S	S	*	*			trans	44.1	104.1	134.5	52.4	0	0	0	0	117.5
271	E	24.9	Very low	24.7	Very low	200 Å²	200	135.8 Å²	135.8	94%	0.935	77%	0.768	S	S	*	*			trans	-171	136.1	142.5	-108.6	162.2	-159.7	0	0	113.5
272	A	24.7	Very low	24.9	Very low	91 Å²	91	139.8 Å²	139.8	75%	0.752	77%	0.774	S	S	*	*			trans	61.6	79.6	155	0	0	0	0	0	119.5	S274	A272-S274 PolarHBondContact O-N 3.39Å
273	S	24.3	Very low	25	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	76%	0.762	S	S	*	*			trans	-49.1	115.5	150	51	0	0	0	0	112.3
274	S	25.1	Very low	25.1	Very low	94 Å²	94	136 Å²	136	66%	0.657	76%	0.756	S	S	*	*			trans	-145.2	75.9	159.8	58	0	0	0	0	110.1	A272	A272-S274 PolarHBondContact O-N 3.39Å
275	V	28.8	Very low	25.3	Very low	144 Å²	144	136.2 Å²	136.2	87%	0.873	76%	0.758	S	S	*	*			trans	-133.1	48.3	167.2	-164.5	0	0	0	0	108.2
276	D	27	Very low	25.5	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	74%	0.744	S	S	*	*			trans	-99.1	104.8	168.3	-75.6	-34.4	0	0	0	108.1
277	D	27.6	Very low	25.6	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	74%	0.74	S	S	*	*			trans	166.5	45.7	145	-89.5	-18.5	0	0	0	113
278	L	28.1	Very low	25.8	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	74%	0.738	S	S	*	*			trans	-135.7	77.8	157.2	-104.2	153.3	0	0	0	109	I280	L278-I280 PolarHBondContact O-N 2.98Å
279	M	24.8	Very low	25.7	Very low	170 Å²	170	134.8 Å²	134.8	84%	0.837	74%	0.736	S	S	*	*			trans	-34.8	90.1	164.5	-76.2	-80.7	-78.2	0	0	113
280	I	26.7	Very low	25.7	Very low	130 Å²	130	136.2 Å²	136.2	67%	0.667	74%	0.744	S	S	*	*			trans	-138.1	84.6	149.9	-55.9	-178.2	0	0	0	106.2	L278 H282	L278-I280 PolarHBondContact O-N 2.98Å; I280-H282 PolarHBondContact O-N 3Å
281	Q	24.8	Very low	25.7	Very low	138 Å²	138	135.4 Å²	135.4	65%	0.645	74%	0.744	S	S	*	*			trans	-14.9	102.3	156.4	-85.5	172.9	-11.7	0	0	111.9	L283 K508	Q281-L283 PolarHBondContact O-N 2.85Å; Q281-L283 VanDerWaalsContact O-N 3.07Å; Q281-K508 PolarHBondContact O-NZ 3.45Å; Q281-K508 VanDerWaalsContact O-NZ 3.15Å
282	H	26.1	Very low	25.7	Very low	190 Å²	190	131 Å²	131	88%	0.88	74%	0.736	S	S	*	*			trans	-55	105.9	159.8	-82.1	4.6	0	0	0	107.9	I280 D284	I280-H282 PolarHBondContact O-N 3Å; H282-D284 PolarHBondContact O-N 3.47Å
283	L	24.7	Very low	25.7	Very low	96 Å²	96	132.3 Å²	132.3	50%	0.503	74%	0.739	S	S	.	*			trans	-77.9	106	154.6	-101.7	158.5	0	0	0	105.2	Q281 L285 K508	Q281-L283 PolarHBondContact O-N 2.85Å; Q281-L283 VanDerWaalsContact O-N 3.07Å; L283-L285 HydrophobicContact CB-CD1 4.49Å; L283-L285 PolarHBondContact O-N 2.85Å; L283-K508 HydrophobicContact CD1-CD 4.26Å; L283-K508 HydrophobicContact CD1-CG 3.79Å
284	D	25.1	Very low	25.8	Very low	112 Å²	112	131.9 Å²	131.9	60%	0.599	73%	0.731	S	S	*	*			trans	-62.3	100.5	173.8	-157.4	3.9	0	0	0	108.5	H282 S286 T287	H282-D284 PolarHBondContact O-N 3.47Å; D284-S286 PolarHBondContact O-N 3.25Å; D284-S286 VanDerWaalsContact O-N 3.15Å; D284-S286 PolarHBondContact OD1-OG 3.08Å; D284-S286 VanDerWaalsContact OD1-OG 3.09Å; D284-S286 PolarHBondContact OD2-OG 2.97Å; D284-T287 PolarHBondContact O-OG1 3.24Å
285	L	28	Very low	25.9	Very low	145 Å²	145	136.3 Å²	136.3	76%	0.759	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-78.4	16.9	-177.7	-111.5	89	0	0	0	112.8	L283 T287	L283-L285 HydrophobicContact CB-CD1 4.49Å; L283-L285 PolarHBondContact O-N 2.85Å; L285-T287 PolarHBondContact O-N 3.3Å
286	S	25.6	Very low	25.6	Very low	61 Å²	61	134.4 Å²	134.4	43%	0.427	73%	0.734	S	S	.	*	G	3₁₀ helix	trans	-74.1	-8.7	173.6	50.7	0	0	0	0	113.3	D284	D284-S286 PolarHBondContact O-N 3.25Å; D284-S286 VanDerWaalsContact O-N 3.15Å; D284-S286 PolarHBondContact OD1-OG 3.08Å; D284-S286 VanDerWaalsContact OD1-OG 3.09Å; D284-S286 PolarHBondContact OD2-OG 2.97Å
287	T	25.6	Very low	25.5	Very low	106 Å²	106	135 Å²	135	65%	0.65	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-94.9	9	-173.3	36.4	0	0	0	0	115.9	D284 L285	D284-T287 PolarHBondContact O-OG1 3.24Å; L285-T287 PolarHBondContact O-N 3.3Å
288	F	26.2	Very low	25.4	Very low	170 Å²	170	138.9 Å²	138.9	75%	0.746	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-106.3	18.3	175.8	-99.6	-78.5	0	0	0	114.5
289	Q	23.9	Very low	25.3	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	74%	0.744	S	S	*	*	S	Bend	trans	-82.9	136.8	160.3	-80.1	178.8	-37.5	0	0	108.7
290	T	23.9	Very low	25.4	Very low	139 Å²	139	136.1 Å²	136.1	85%	0.853	72%	0.722	S	S	*	*			trans	71.5	93.4	168.1	61.1	0	0	0	0	118
291	S	22.9	Very low	25.4	Very low	111 Å²	111	135 Å²	135	78%	0.776	72%	0.723	S	S	*	*			trans	-161	140.2	139.2	23	0	0	0	0	110
292	S	25.4	Very low	25.6	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	72%	0.719	S	S	*	*			trans	79.6	54.2	-179.3	95.8	0	0	0	0	118.6	T294	S292-T294 VanDerWaalsContact C-N 3.27Å; S292-T294 PolarHBondContact O-N 2.87Å; S292-T294 VanDerWaalsContact O-N 3.17Å
293	S	24.6	Very low	25.7	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	70%	0.702	S	S	*	*			trans	-65.9	84.9	139.4	51.6	0	0	0	0	109.3
294	T	26.4	Very low	25.9	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.693	70%	0.701	S	S	*	*			trans	-168.7	17.6	169.2	12.3	0	0	0	0	116.8	S292	S292-T294 VanDerWaalsContact C-N 3.27Å; S292-T294 PolarHBondContact O-N 2.87Å; S292-T294 VanDerWaalsContact O-N 3.17Å
295	H	26.9	Very low	26.1	Very low	186 Å²	186	125 Å²	125	86%	0.861	69%	0.685	S	S	*	*			trans	-131.7	70.9	167.5	-81.1	-22.3	0	0	0	111.6
296	S	24.3	Very low	26	Very low	104 Å²	104	124 Å²	124	73%	0.727	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	138.7	156	44.1	0	0	0	0	109.9
297	N	24.6	Very low	26.1	Very low	161 Å²	161	123.1 Å²	123.1	86%	0.861	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.8	3.9	163.5	-59.8	-14.8	0	0	0	122.3	K299	N297-K299 PolarHBondContact O-N 3.11Å
298	R	24.3	Very low	26.1	Very low	235 Å²	235	125.9 Å²	125.9	89%	0.887	66%	0.663	S	S	*	*			trans	-89.7	100.1	165.5	-92.8	-176.9	175.3	170.4	-0.4	111.5	V300	R298-V300 PolarHBondContact O-N 3.41Å
299	K	25.8	Very low	26.1	Very low	212 Å²	212	120 Å²	120	92%	0.922	64%	0.642	S	S	*	*			trans	-58.6	101.7	165.8	-77.9	-179.6	177.3	176.5	0	108.6	N297	N297-K299 PolarHBondContact O-N 3.11Å
300	V	28.6	Very low	26.2	Very low	61 Å²	61	121.6 Å²	121.6	37%	0.37	65%	0.65	S	S	.	*			trans	-68.3	124.5	172	-179.4	0	0	0	0	107.6	R298 I302 L323	R298-V300 PolarHBondContact O-N 3.41Å; V300-I302 PolarHBondContact O-N 2.87Å; V300-L323 HydrophobicContact CG1-CD1 4.44Å; V300-L323 HydrophobicContact CG2-CD1 3.99Å
301	P	25.5	Very low	26.4	Very low	107 Å²	107	126.7 Å²	126.7	70%	0.695	65%	0.653	S	S	*	*			trans	-66.3	107.2	174.7	26	-30.3	0	0	0	108.1	T303	P301-T303 PolarHBondContact O-N 3.41Å
302	I	29	Very low	26.7	Very low	107 Å²	107	124 Å²	124	55%	0.549	64%	0.635	S	S	.	*			trans	-82.2	110.6	165.9	-56.5	175.6	0	0	0	105.7	V300 N304 Y319	V300-I302 PolarHBondContact O-N 2.87Å; I302-N304 PolarHBondContact O-N 3Å; I302-N304 VanDerWaalsContact O-N 3.16Å; I302-Y319 HydrophobicContact CG2-CD1 3.51Å; I302-Y319 HydrophobicContact CG2-CG 4.02Å
303	T	29.4	Very low	26.8	Very low	86 Å²	86	129 Å²	129	53%	0.528	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.1	108.8	174.1	-47.1	0	0	0	0	107.8	P301 V305 M320	P301-T303 PolarHBondContact O-N 3.41Å; T303-V305 HydrophobicContact CG2-CG2 4.37Å; T303-V305 PolarHBondContact O-N 2.71Å; T303-M320 PolarHBondContact N-O 3.16Å; T303-M320 VanDerWaalsContact N-O 3.16Å; T303-M320 PolarHBondContact O-N 2.86Å
304	N	28.8	Very low	26.9	Very low	90 Å²	90	132.3 Å²	132.3	48%	0.481	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.1	107.3	172	-179.4	12.9	0	0	0	108.6	I302 F306 Y319	I302-N304 PolarHBondContact O-N 3Å; I302-N304 VanDerWaalsContact O-N 3.16Å; N304-F306 PolarHBondContact O-N 3.15Å; N304-Y319 HydrophobicContact CB-CD1 4.31Å; N304-Y319 HydrophobicContact CB-CE1 4.13Å
305	V	28.1	Very low	27	Very low	42 Å²	42	129.7 Å²	129.7	26%	0.255	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	99.9	171.9	-176.1	0	0	0	0	107.1	T303 M307 S317 F318	T303-V305 HydrophobicContact CG2-CG2 4.37Å; T303-V305 PolarHBondContact O-N 2.71Å; V305-M307 HydrophobicContact CG1-CE 4.26Å; V305-M307 HydrophobicContact CG1-CG 4.06Å; V305-M307 HydrophobicContact CG1-SD 4.46Å; V305-S317 WeakPolarHBondContact O-CA 3.43Å; V305-F318 HydrophobicContact CB-CB 4.36Å; V305-F318 PolarHBondContact N-O 2.68Å; V305-F318 PolarHBondContact O-N 2.94Å
306	F	26.7	Very low	27.1	Very low	126 Å²	126	124.2 Å²	124.2	55%	0.553	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.7	123.1	175.3	177.2	-97.1	0	0	0	110	N304 R308	N304-F306 PolarHBondContact O-N 3.15Å; F306-R308 HydrophobicContact CE1-CB 3.8Å; F306-R308 HydrophobicContact CZ-CB 4.09Å
307	M	27.1	Very low	27.2	Very low	42 Å²	42	120.4 Å²	120.4	21%	0.207	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	130.3	178.4	-51.6	-162.1	119.9	0	0	109.2	V305 S315 L316 E416	V305-M307 HydrophobicContact CG1-CE 4.26Å; V305-M307 HydrophobicContact CG1-CG 4.06Å; V305-M307 HydrophobicContact CG1-SD 4.46Å; M307-S315 CarbonylContact O-C 3.39Å; M307-S315 WeakPolarHBondContact O-CA 3.49Å; M307-L316 HydrophobicContact CB-CB 4.36Å; M307-L316 PolarHBondContact N-O 3.4Å; M307-L316 PolarHBondContact O-N 3.35Å; M307-E416 HydrophobicContact CE-CB 3.52Å; M307-E416 HydrophobicContact CE-CG 3.38Å; M307-E416 HydrophobicContact SD-CB 3.62Å; M307-E416 VanDerWaalsContact SD-CD 3.5Å; M307-E416 HydrophobicContact SD-CG 3.82Å
308	R	26.6	Very low	27.5	Very low	164 Å²	164	116.2 Å²	116.2	62%	0.619	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.1	175.3	-171	175	-176	161.6	0.1	108.8	F306 H310	F306-R308 HydrophobicContact CE1-CB 3.8Å; F306-R308 HydrophobicContact CZ-CB 4.09Å; R308-H310 PolarHBondContact O-N 2.87Å; R308-H310 VanDerWaalsContact O-N 3.15Å
309	S	26.1	Very low	27.8	Very low	45 Å²	45	108.4 Å²	108.4	32%	0.315	51%	0.513	S	S	.	.			trans	-64.9	115.3	170.3	167.8	0	0	0	0	109.8	R311 S312 R313 R314	S309-R311 PolarHBondContact O-N 3.14Å; S309-R311 PolarHBondContact OG-N 3.33Å; S309-S312 WeakPolarHBondContact CB-OG 3.47Å; S309-S312 WeakPolarHBondContact OG-CB 3.41Å; S309-S312 PolarHBondContact OG-N 3.33Å; S309-S312 PolarHBondContact OG-OG 3.24Å; S309-R313 PolarHBondContact O-N 3.39Å; S309-R313 VanDerWaalsContact O-N 3.07Å; S309-R314 PolarHBondContact N-O 2.87Å
310	H	26.3	Very low	28.1	Very low	197 Å²	197	103.5 Å²	103.5	91%	0.912	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.2	171.4	-94.8	-84.8	0	0	0	112	R308	R308-H310 PolarHBondContact O-N 2.87Å; R308-H310 VanDerWaalsContact O-N 3.15Å
311	R	27	Very low	28.2	Very low	245 Å²	245	102.9 Å²	102.9	93%	0.925	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-28.7	-173.4	-146.5	175.7	-174.6	176.3	2.3	114	S309	S309-R311 PolarHBondContact O-N 3.14Å; S309-R311 PolarHBondContact OG-N 3.33Å
312	S	29.2	Very low	28.4	Very low	56 Å²	56	100.9 Å²	100.9	39%	0.392	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-0.2	-173.6	76.1	0	0	0	0	114.6	S309 R314	S309-S312 WeakPolarHBondContact CB-OG 3.47Å; S309-S312 WeakPolarHBondContact OG-CB 3.41Å; S309-S312 PolarHBondContact OG-N 3.33Å; S309-S312 PolarHBondContact OG-OG 3.24Å; S312-R314 WeakPolarHBondContact O-CG 3.25Å; S312-R314 PolarHBondContact O-N 2.89Å; S312-R314 WeakPolarHBondContact OG-CB 3.14Å
313	R	28.1	Very low	28.6	Very low	213 Å²	213	100.3 Å²	100.3	80%	0.804	47%	0.474	S	S	*	.			trans	50.3	17.7	-172.9	-65.6	-171	175.1	-175.9	0.3	114.3	S309	S309-R313 PolarHBondContact O-N 3.39Å; S309-R313 VanDerWaalsContact O-N 3.07Å
314	R	27	Very low	28.8	Very low	186 Å²	186	102 Å²	102	70%	0.702	48%	0.48	S	S	*	.			trans	-91	127.8	178.5	-67.7	178.3	-174.4	-167.7	-1.4	108	S309 S312	S309-R314 PolarHBondContact N-O 2.87Å; S312-R314 WeakPolarHBondContact O-CG 3.25Å; S312-R314 PolarHBondContact O-N 2.89Å; S312-R314 WeakPolarHBondContact OG-CB 3.14Å
315	S	27.6	Very low	28.8	Very low	59 Å²	59	103.4 Å²	103.4	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.2	173.1	54	0	0	0	0	110.4	M307	M307-S315 CarbonylContact O-C 3.39Å; M307-S315 WeakPolarHBondContact O-CA 3.49Å
316	L	29.1	Very low	28.9	Very low	71 Å²	71	104.7 Å²	104.7	37%	0.372	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.1	169.6	-162.7	71.7	0	0	0	106.5	M307 F318	M307-L316 HydrophobicContact CB-CB 4.36Å; M307-L316 PolarHBondContact N-O 3.4Å; M307-L316 PolarHBondContact O-N 3.35Å; L316-F318 HydrophobicContact CD2-CD2 4.38Å; L316-F318 HydrophobicContact CD2-CE1 4.3Å; L316-F318 HydrophobicContact CD2-CE2 3.3Å; L316-F318 HydrophobicContact CD2-CZ 3.26Å; L316-F318 HydrophobicContact CG-CD2 4.43Å; L316-F318 HydrophobicContact CG-CE1 4.44Å; L316-F318 HydrophobicContact CG-CE2 3.75Å; L316-F318 HydrophobicContact CG-CZ 3.77Å
317	S	27.2	Very low	29	Very low	23 Å²	23	101 Å²	101	16%	0.161	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.1	179.5	52.3	0	0	0	0	108.8	V305	V305-S317 WeakPolarHBondContact O-CA 3.43Å
318	F	30.6	Very low	29.3	Very low	73 Å²	73	100.7 Å²	100.7	32%	0.32	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.1	172.2	-58.1	-78.7	0	0	0	110.5	V305 L316	V305-F318 HydrophobicContact CB-CB 4.36Å; V305-F318 PolarHBondContact N-O 2.68Å; V305-F318 PolarHBondContact O-N 2.94Å; L316-F318 HydrophobicContact CD2-CD2 4.38Å; L316-F318 HydrophobicContact CD2-CE1 4.3Å; L316-F318 HydrophobicContact CD2-CE2 3.3Å; L316-F318 HydrophobicContact CD2-CZ 3.26Å; L316-F318 HydrophobicContact CG-CD2 4.43Å; L316-F318 HydrophobicContact CG-CE1 4.44Å; L316-F318 HydrophobicContact CG-CE2 3.75Å; L316-F318 HydrophobicContact CG-CZ 3.77Å
319	Y	30.5	Very low	29.5	Very low	71 Å²	71	96.1 Å²	96.1	28%	0.278	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.1	174.5	-62.9	-76.7	0	0	0	107.7	I302 N304	I302-Y319 HydrophobicContact CG2-CD1 3.51Å; I302-Y319 HydrophobicContact CG2-CG 4.02Å; N304-Y319 HydrophobicContact CB-CD1 4.31Å; N304-Y319 HydrophobicContact CB-CE1 4.13Å
320	M	31.9	Very low	29.8	Very low	109 Å²	109	95.2 Å²	95.2	54%	0.537	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.7	177.5	-62.8	178.6	73.7	0	0	109.7	T303	T303-M320 PolarHBondContact N-O 3.16Å; T303-M320 VanDerWaalsContact N-O 3.16Å; T303-M320 PolarHBondContact O-N 2.86Å
321	S	31.4	Very low	30.1	Very low	48 Å²	48	87.9 Å²	87.9	34%	0.336	44%	0.436	S	S	.	.			trans	-136.4	144.4	-174.2	160.7	0	0	0	0	110.2
322	N	29.9	Very low	30.2	Very low	65 Å²	65	79 Å²	79	35%	0.348	41%	0.41	S	S	.	.			trans	-108.1	49.2	-170.3	-139.1	10.7	0	0	0	114	N348 S362	N322-N348 PolarHBondContact ND2-OD1 3.39Å; N322-S362 PolarHBondContact OD1-O 3.17Å
323	L	32.7	Very low	30.4	Very low	96 Å²	96	82.2 Å²	82.2	50%	0.503	42%	0.417	S	S	.	.			trans	-110.4	124	-177.2	-83.5	164.6	0	0	0	113.9	V300	V300-L323 HydrophobicContact CG1-CD1 4.44Å; V300-L323 HydrophobicContact CG2-CD1 3.99Å
324	D	32.4	Very low	30.5	Very low	121 Å²	121	75 Å²	75	65%	0.647	40%	0.403	S	S	*	.			trans	35	136.2	153	-67.5	-32.4	0	0	0	121	L364	D324-L364 WeakPolarHBondContact O-CD1 3.35Å
325	T	29.9	Very low	30.7	Very low	119 Å²	119	75.1 Å²	75.1	73%	0.73	41%	0.411	S	S	*	.			cis	-159.4	83.9	-29.8	28.1	0	0	0	0	103.7
326	S	29.2	Very low	31	Very low	70 Å²	70	79.4 Å²	79.4	49%	0.49	43%	0.43	S	S	.	.			trans	-154.8	125	169.4	47	0	0	0	0	111.4
327	P	29.4	Very low	31	Very low	49 Å²	49	82.9 Å²	82.9	32%	0.318	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-79.6	142	-173.3	31.7	-35.9	0	0	0	112.7	F343 F358 T361	P327-F343 HydrophobicContact CB-CB 4.07Å; P327-F343 HydrophobicContact CB-CD1 3.42Å; P327-F343 VanDerWaalsContact CB-CD1 3.42Å; P327-F343 HydrophobicContact CB-CE1 4.03Å; P327-F343 HydrophobicContact CB-CG 3.96Å; P327-F343 HydrophobicContact CG-CD1 3.6Å; P327-F343 HydrophobicContact CG-CE1 3.66Å; P327-F343 HydrophobicContact CG-CG 4.43Å; P327-F358 HydrophobicContact CG-CB 4.18Å; P327-T361 HydrophobicContact CB-CG2 3.96Å
328	L	32.3	Very low	31.3	Very low	34 Å²	34	88 Å²	88	18%	0.178	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.8	171	-97.7	151.2	0	0	0	110.2	F343 L344 I365 V502	L328-F343 VanDerWaalsContact O-CA 3.27Å; L328-F343 WeakPolarHBondContact O-CA 3.24Å; L328-L344 HydrophobicContact CB-CB 3.93Å; L328-L344 HydrophobicContact CD1-CD2 4.24Å; L328-L344 PolarHBondContact O-N 3.12Å; L328-L344 VanDerWaalsContact O-N 3.07Å; L328-I365 HydrophobicContact CD1-CD1 3.57Å; L328-I365 HydrophobicContact CD1-CG1 3.86Å; L328-V502 HydrophobicContact CD2-CB 4.42Å; L328-V502 HydrophobicContact CD2-CG1 3.36Å; L328-V502 HydrophobicContact CD2-CG2 4.34Å
329	F	31.9	Very low	31.8	Very low	69 Å²	69	88.7 Å²	88.7	30%	0.303	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.8	-179.5	-153.3	-107.8	0	0	0	111.1	T331 A341 F343	F329-T331 HydrophobicContact CD1-CG2 3.78Å; F329-T331 HydrophobicContact CE1-CG2 3.3Å; F329-T331 HydrophobicContact CZ-CG2 4.34Å; F329-A341 HydrophobicContact CD2-CB 4.35Å; F329-A341 HydrophobicContact CE1-CB 3.91Å; F329-A341 HydrophobicContact CE2-CB 3.35Å; F329-A341 HydrophobicContact CZ-CB 3.09Å; F329-F343 HydrophobicContact CD2-CD1 4.1Å; F329-F343 AromaticContact CD2-CE1 3.74Å; F329-F343 HydrophobicContact CD2-CE1 3.74Å; F329-F343 HydrophobicContact CD2-CZ 4.49Å; F329-F343 HydrophobicContact CE2-CE1 4.1Å; F329-F343 HydrophobicContact CE2-CZ 4.44Å
330	L	33.1	Very low	32.3	Very low	25 Å²	25	94.1 Å²	94.1	13%	0.131	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.6	172.7	-73.1	172.6	0	0	0	107.8	R342 L344 L354 W500	L330-R342 PolarHBondContact N-O 3.02Å; L330-L344 HydrophobicContact CD1-CB 4.25Å; L330-L344 HydrophobicContact CD1-CD1 4.1Å; L330-L354 HydrophobicContact CD1-CD2 3.38Å; L330-W500 HydrophobicContact CB-CD2 4.43Å; L330-W500 HydrophobicContact CB-CE3 3.54Å; L330-W500 HydrophobicContact CB-CH2 4.27Å; L330-W500 HydrophobicContact CB-CZ3 3.46Å; L330-W500 VanDerWaalsContact CB-CZ3 3.46Å; L330-W500 HydrophobicContact CD2-CB 3.84Å; L330-W500 HydrophobicContact CD2-CD2 3.65Å; L330-W500 HydrophobicContact CD2-CE3 3.53Å; L330-W500 HydrophobicContact CD2-CG 3.82Å; L330-W500 HydrophobicContact CD2-CZ3 4.28Å; L330-W500 HydrophobicContact CG-CE3 4.07Å; L330-W500 HydrophobicContact CG-CZ3 4.36Å
331	T	32.3	Very low	32.8	Very low	43 Å²	43	90.7 Å²	90.7	26%	0.264	50%	0.496	S	S	.	.			trans	-109.4	125.1	172.9	17.9	0	0	0	0	110.7	F329	F329-T331 HydrophobicContact CD1-CG2 3.78Å; F329-T331 HydrophobicContact CE1-CG2 3.3Å; F329-T331 HydrophobicContact CZ-CG2 4.34Å
332	P	29.4	Very low	33.3	Very low	59 Å²	59	90.8 Å²	90.8	38%	0.383	49%	0.489	S	S	.	.			trans	-71.9	139.8	170.4	28.5	-30.8	0	0	0	110.3	A334 M339	P332-A334 VanDerWaalsContact C-N 3.26Å; P332-A334 PolarHBondContact O-N 3.35Å; P332-M339 HydrophobicContact CG-CB 4.13Å
333	F	31.8	Very low	33.8	Very low	124 Å²	124	89.2 Å²	89.2	54%	0.544	48%	0.479	S	S	.	.			trans	-81.6	3.4	-179.2	-112.7	-87.9	0	0	0	114.1	Q335 Q501	F333-Q335 PolarHBondContact O-N 3.03Å; F333-Q335 VanDerWaalsContact O-N 3.09Å; F333-Q501 HydrophobicContact CE2-CG 3.98Å
334	A	31.4	Very low	34.3	Very low	62 Å²	62	86.7 Å²	86.7	51%	0.512	47%	0.466	S	S	.	.			trans	-70.7	107.5	-178.4	0	0	0	0	0	110.5	P332 N336	P332-A334 VanDerWaalsContact C-N 3.26Å; P332-A334 PolarHBondContact O-N 3.35Å; A334-N336 PolarHBondContact O-N 2.83Å
335	Q	30.6	Very low	34.8	Very low	187 Å²	187	81 Å²	81	87%	0.874	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-3.3	-177.8	-72.2	-179.9	-20.3	0	0	114.7	F333	F333-Q335 PolarHBondContact O-N 3.03Å; F333-Q335 VanDerWaalsContact O-N 3.09Å
336	N	33.2	Very low	35.5	Very low	150 Å²	150	76.9 Å²	76.9	80%	0.802	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	10.7	-168.4	-71.7	-14.6	0	0	0	115.9	A334	A334-N336 PolarHBondContact O-N 2.83Å
337	H	30.4	Very low	36.2	Very low	144 Å²	144	75.9 Å²	75.9	67%	0.667	40%	0.398	S	S	*	.			trans	-124.7	134.7	174.9	-80.4	-51.9	0	0	0	113	M339	H337-M339 HydrophobicContact CB-CG 4.35Å; H337-M339 PolarHBondContact O-N 3.12Å
338	P	33.4	Very low	36.6	Very low	130 Å²	130	80.5 Å²	80.5	84%	0.844	42%	0.42	S	S	*	.			trans	-76.7	57.1	173.3	34.7	-34.5	0	0	0	110.1	K340	P338-K340 PolarHBondContact O-N 3.22Å
339	M	39.8	Very low	37	Very low	88 Å²	88	83.9 Å²	83.9	43%	0.433	44%	0.438	S	S	.	.			trans	-83.8	113.5	176.3	-84.5	-145.7	160.1	0	0	110.4	P332 H337	P332-M339 HydrophobicContact CG-CB 4.13Å; H337-M339 HydrophobicContact CB-CG 4.35Å; H337-M339 PolarHBondContact O-N 3.12Å
340	K	42.6	Very low	37.2	Very low	184 Å²	184	82.3 Å²	82.3	80%	0.8	44%	0.442	S	S	*	.			trans	-55.3	138.5	174.7	-67	176.1	-179.2	173.3	0	110.4	P338 R342	P338-K340 PolarHBondContact O-N 3.22Å; K340-R342 WeakPolarHBondContact O-CG 3.33Å
341	A	41.3	Very low	37.4	Very low	38 Å²	38	82 Å²	82	31%	0.314	44%	0.441	S	S	.	.			trans	-47.8	138.1	172.4	0	0	0	0	0	113.1	F329	F329-A341 HydrophobicContact CD2-CB 4.35Å; F329-A341 HydrophobicContact CE1-CB 3.91Å; F329-A341 HydrophobicContact CE2-CB 3.35Å; F329-A341 HydrophobicContact CZ-CB 3.09Å
342	R	42.4	Very low	37.9	Very low	50 Å²	50	82.7 Å²	82.7	19%	0.189	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.6	179.1	-54.4	-169.7	-174.8	-160	4.8	111	L330 K340	L330-R342 PolarHBondContact N-O 3.02Å; K340-R342 WeakPolarHBondContact O-CG 3.33Å
343	F	41.5	Very low	38.7	Very low	32 Å²	32	85 Å²	85	14%	0.14	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.4	-178.4	-53.2	-80.3	0	0	0	111.9	P327 L328 F329 L354 V355 T361	P327-F343 HydrophobicContact CB-CB 4.07Å; P327-F343 HydrophobicContact CB-CD1 3.42Å; P327-F343 VanDerWaalsContact CB-CD1 3.42Å; P327-F343 HydrophobicContact CB-CE1 4.03Å; P327-F343 HydrophobicContact CB-CG 3.96Å; P327-F343 HydrophobicContact CG-CD1 3.6Å; P327-F343 HydrophobicContact CG-CE1 3.66Å; P327-F343 HydrophobicContact CG-CG 4.43Å; L328-F343 VanDerWaalsContact O-CA 3.27Å; L328-F343 WeakPolarHBondContact O-CA 3.24Å; F329-F343 HydrophobicContact CD2-CD1 4.1Å; F329-F343 AromaticContact CD2-CE1 3.74Å; F329-F343 HydrophobicContact CD2-CE1 3.74Å; F329-F343 HydrophobicContact CD2-CZ 4.49Å; F329-F343 HydrophobicContact CE2-CE1 4.1Å; F329-F343 HydrophobicContact CE2-CZ 4.44Å; F343-L354 CarbonylContact O-C 3.42Å; F343-L354 WeakPolarHBondContact O-CA 3.37Å; F343-V355 HydrophobicContact CB-CG2 4.19Å; F343-V355 PolarHBondContact N-O 3.08Å; F343-V355 WeakPolarHBondContact O-CG2 3.44Å; F343-V355 PolarHBondContact O-N 3.13Å; F343-T361 HydrophobicContact CB-CG2 3.76Å
344	L	42.7	Very low	39.4	Very low	43 Å²	43	81 Å²	81	23%	0.225	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.5	171.6	-165.5	79.7	0	0	0	109.9	L328 L330 I352 L354	L328-L344 HydrophobicContact CB-CB 3.93Å; L328-L344 HydrophobicContact CD1-CD2 4.24Å; L328-L344 PolarHBondContact O-N 3.12Å; L328-L344 VanDerWaalsContact O-N 3.07Å; L330-L344 HydrophobicContact CD1-CB 4.25Å; L330-L344 HydrophobicContact CD1-CD1 4.1Å; L344-I352 HydrophobicContact CD1-CG2 3.55Å; L344-I352 HydrophobicContact CD2-CG2 4.43Å; L344-I352 HydrophobicContact CG-CG2 4.02Å; L344-L354 HydrophobicContact CD1-CD2 4.31Å
345	S	42.9	Very low	40.3	Very low	1 Å²	1	79.2 Å²	79.2	1%	0.007	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.4	172.8	-166.9	0	0	0	0	111.1	I352 K353 D360	S345-I352 WeakPolarHBondContact O-CA 3.26Å; S345-K353 PolarHBondContact N-O 3.49Å; S345-K353 PolarHBondContact O-N 3.01Å; S345-D360 PolarHBondContact OG-O 2.94Å
346	I	43.2	Very low	41	Very low	32 Å²	32	76 Å²	76	16%	0.164	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.9	171.6	-51.3	178.1	0	0	0	107.3	T351 I352 S362 A363	I346-T351 CarbonylContact C-O 3.55Å; I346-T351 WeakPolarHBondContact CA-O 3.44Å; I346-I352 HydrophobicContact CG1-CG1 4.4Å; I346-S362 VanDerWaalsContact O-O 3.09Å; I346-A363 HydrophobicContact CB-CB 3.9Å; I346-A363 HydrophobicContact CD1-CB 4.05Å; I346-A363 HydrophobicContact CG1-CB 3.92Å
347	D	43.8	Very low	41.5	Very low	50 Å²	50	70.9 Å²	70.9	27%	0.267	37%	0.372	S	S	.	.			trans	-74	159	176.7	-74.1	-22.4	0	0	0	110.3	N349 G350 T351 K353	D347-N349 WeakPolarHBondContact CB-OD1 3.38Å; D347-N349 PolarHBondContact O-N 2.89Å; D347-G350 PolarHBondContact O-N 3.42Å; D347-T351 WeakPolarHBondContact CB-OG1 3.2Å; D347-T351 PolarHBondContact N-O 3.31Å; D347-T351 PolarHBondContact OD2-OG1 3.46Å; D347-K353 IonicContact OD2-NZ 2.83Å; D347-K353 PolarHBondContact OD2-NZ 3.05Å
348	N	39.3	Very low	41.9	Very low	146 Å²	146	70.5 Å²	70.5	78%	0.781	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.6	178.4	-73.6	-38	0	0	0	114.5	N322	N322-N348 PolarHBondContact ND2-OD1 3.39Å
349	N	40	Very low	42.2	Very low	104 Å²	104	72.1 Å²	72.1	56%	0.556	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	2.8	178	63.7	3.1	0	0	0	113.5	D347 T351	D347-N349 WeakPolarHBondContact CB-OD1 3.38Å; D347-N349 PolarHBondContact O-N 2.89Å; N349-T351 PolarHBondContact ND2-OG1 3.13Å; N349-T351 WeakPolarHBondContact OD1-CB 3.41Å; N349-T351 WeakPolarHBondContact OD1-CG2 3.2Å; N349-T351 PolarHBondContact OD1-N 2.82Å; N349-T351 PolarHBondContact OD1-OG1 3.3Å
350	G	35.3	Very low	42.1	Very low	37 Å²	37	73.2 Å²	73.2	38%	0.381	37%	0.37	S	S	.	.	S	Bend	trans	84	6	-177.7	0	0	0	0	0	115.1	D347	D347-G350 PolarHBondContact O-N 3.42Å
351	T	37.4	Very low	41.6	Very low	17 Å²	17	65.3 Å²	65.3	10%	0.104	34%	0.337	C	S	.	.			trans	-78	137.5	176.5	57.2	0	0	0	0	111.9	I346 D347 N349	I346-T351 CarbonylContact C-O 3.55Å; I346-T351 WeakPolarHBondContact CA-O 3.44Å; D347-T351 WeakPolarHBondContact CB-OG1 3.2Å; D347-T351 PolarHBondContact N-O 3.31Å; D347-T351 PolarHBondContact OD2-OG1 3.46Å; N349-T351 PolarHBondContact ND2-OG1 3.13Å; N349-T351 WeakPolarHBondContact OD1-CB 3.41Å; N349-T351 WeakPolarHBondContact OD1-CG2 3.2Å; N349-T351 PolarHBondContact OD1-N 2.82Å; N349-T351 PolarHBondContact OD1-OG1 3.3Å
352	I	43.6	Very low	41	Very low	58 Å²	58	66.2 Å²	66.2	30%	0.297	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.5	-177.5	-54.7	176.5	0	0	0	109.2	L344 S345 I346 M407	L344-I352 HydrophobicContact CD1-CG2 3.55Å; L344-I352 HydrophobicContact CD2-CG2 4.43Å; L344-I352 HydrophobicContact CG-CG2 4.02Å; S345-I352 WeakPolarHBondContact O-CA 3.26Å; I346-I352 HydrophobicContact CG1-CG1 4.4Å; I352-M407 HydrophobicContact CD1-CE 4.39Å
353	K	46.5	Very low	40.4	Very low	109 Å²	109	64.7 Å²	64.7	47%	0.474	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156	-177.6	-67.1	173.9	-174.8	155.4	0	112.8	S345 D347	S345-K353 PolarHBondContact N-O 3.49Å; S345-K353 PolarHBondContact O-N 3.01Å; D347-K353 IonicContact OD2-NZ 2.83Å; D347-K353 PolarHBondContact OD2-NZ 3.05Å
354	L	46.3	Very low	39.9	Very low	40 Å²	40	65.7 Å²	65.7	21%	0.209	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	170.4	-69.9	171.3	0	0	0	110.6	L330 F343 L344 I485	L330-L354 HydrophobicContact CD1-CD2 3.38Å; F343-L354 CarbonylContact O-C 3.42Å; F343-L354 WeakPolarHBondContact O-CA 3.37Å; L344-L354 HydrophobicContact CD1-CD2 4.31Å; L354-I485 HydrophobicContact CD1-CG1 4.47Å
355	V	50.5	Low	39.4	Very low	24 Å²	24	67.3 Å²	67.3	15%	0.145	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.2	-177.8	-91.2	0	0	0	0	112.1	F343 S357 D360 T361	F343-V355 HydrophobicContact CB-CG2 4.19Å; F343-V355 PolarHBondContact N-O 3.08Å; F343-V355 WeakPolarHBondContact O-CG2 3.44Å; F343-V355 PolarHBondContact O-N 3.13Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-D360 HydrophobicContact CG1-CB 3.99Å; V355-T361 HydrophobicContact CG2-CG2 3.4Å
356	K	44.3	Very low	38.8	Very low	119 Å²	119	69.4 Å²	69.4	52%	0.517	37%	0.367	S	S	.	.	S	Bend	trans	-80.4	-11.2	-176.4	-71.3	175.5	179.6	165.7	0	113.4	E480 Y483	K356-E480 PolarHBondContact NZ-O 3.07Å; K356-Y483 HydrophobicContact CD-CE1 4.36Å
357	S	44.1	Very low	38.3	Very low	42 Å²	42	71.5 Å²	71.5	29%	0.294	38%	0.378	S	S	.	.	S	Bend	trans	-146.9	144.8	-166.6	162.6	0	0	0	0	111.1	V355 K359	V355-S357 VanDerWaalsContact C-N 3.33Å; S357-K359 PolarHBondContact O-N 3.08Å; S357-K359 VanDerWaalsContact O-N 3.17Å; S357-K359 WeakPolarHBondContact OG-CB 3.45Å; S357-K359 PolarHBondContact OG-N 3.02Å; S357-K359 VanDerWaalsContact OG-N 3.12Å
358	F	39.6	Very low	37.6	Very low	136 Å²	136	70.5 Å²	70.5	60%	0.596	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-64	-12.6	174.1	74.5	-88.7	0	0	0	113.7	P327 D360 T361	P327-F358 HydrophobicContact CG-CB 4.18Å; F358-D360 PolarHBondContact O-N 3.26Å; F358-T361 PolarHBondContact O-OG1 2.99Å
359	K	39.6	Very low	37.1	Very low	164 Å²	164	65.2 Å²	65.2	71%	0.713	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-69.6	-17.4	-177	-69.5	-173.8	174	-176.6	0	113.8	S357	S357-K359 PolarHBondContact O-N 3.08Å; S357-K359 VanDerWaalsContact O-N 3.17Å; S357-K359 WeakPolarHBondContact OG-CB 3.45Å; S357-K359 PolarHBondContact OG-N 3.02Å; S357-K359 VanDerWaalsContact OG-N 3.12Å
360	D	37.1	Very low	36.6	Very low	111 Å²	111	62.9 Å²	62.9	59%	0.594	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-116.9	15.6	-175.7	-65.4	-33.7	0	0	0	113.9	S345 V355 F358	S345-D360 PolarHBondContact OG-O 2.94Å; V355-D360 HydrophobicContact CG1-CB 3.99Å; F358-D360 PolarHBondContact O-N 3.26Å
361	T	32.3	Very low	36.4	Very low	18 Å²	18	62.1 Å²	62.1	11%	0.11	32%	0.323	C	S	.	.			trans	-110.4	101.7	-172.7	42.2	0	0	0	0	112.9	P327 F343 V355 F358	P327-T361 HydrophobicContact CB-CG2 3.96Å; F343-T361 HydrophobicContact CB-CG2 3.76Å; V355-T361 HydrophobicContact CG2-CG2 3.4Å; F358-T361 PolarHBondContact O-OG1 2.99Å
362	S	29.3	Very low	35.9	Very low	57 Å²	57	66.2 Å²	66.2	40%	0.399	34%	0.341	S	S	.	.			trans	-108.2	83.4	169.2	54.3	0	0	0	0	110.1	N322 I346	N322-S362 PolarHBondContact OD1-O 3.17Å; I346-S362 VanDerWaalsContact O-O 3.09Å
363	A	29.5	Very low	35.4	Very low	19 Å²	19	73.6 Å²	73.6	16%	0.157	37%	0.365	C	S	.	.			trans	-169.6	127.4	163.7	0	0	0	0	0	113.6	I346	I346-A363 HydrophobicContact CB-CB 3.9Å; I346-A363 HydrophobicContact CD1-CB 4.05Å; I346-A363 HydrophobicContact CG1-CB 3.92Å
364	L	31.3	Very low	34.6	Very low	52 Å²	52	73.1 Å²	73.1	27%	0.272	38%	0.375	S	S	.	.			trans	-106.6	119.8	164.2	-143.2	153	0	0	0	106.8	D324 T366 P567	D324-L364 WeakPolarHBondContact O-CD1 3.35Å; L364-T366 HydrophobicContact CD2-CG2 4.32Å; L364-T366 PolarHBondContact O-N 2.87Å; L364-P567 HydrophobicContact CD2-CB 4.32Å
365	I	32.3	Very low	34.1	Very low	78 Å²	78	76 Å²	76	40%	0.4	40%	0.395	S	S	.	.			trans	-78	103.4	171.3	-59.4	178.2	0	0	0	107.8	L328	L328-I365 HydrophobicContact CD1-CD1 3.57Å; L328-I365 HydrophobicContact CD1-CG1 3.86Å
366	T	29.7	Very low	33.2	Very low	45 Å²	45	81.2 Å²	81.2	28%	0.276	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137	165.2	41.3	0	0	0	0	109.8	L364	L364-T366 HydrophobicContact CD2-CG2 4.32Å; L364-T366 PolarHBondContact O-N 2.87Å
367	I	32.4	Very low	32.8	Very low	76 Å²	76	82.1 Å²	82.1	39%	0.39	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.9	172.5	-57.7	174.3	0	0	0	107.3	I369 A566 F571	I367-I369 HydrophobicContact CG2-CD1 4.41Å; I367-I369 HydrophobicContact CG2-CG1 4.04Å; I367-A566 PolarHBondContact N-O 3.3Å; I367-A566 PolarHBondContact O-N 3.05Å; I367-F571 HydrophobicContact CB-CE2 3.98Å; I367-F571 HydrophobicContact CB-CZ 4.32Å; I367-F571 HydrophobicContact CD1-CD2 4.2Å; I367-F571 HydrophobicContact CD1-CE2 4.03Å; I367-F571 HydrophobicContact CG1-CE2 4.43Å; I367-F571 HydrophobicContact CG2-CZ 4.44Å
368	S	29.1	Very low	32.7	Very low	29 Å²	29	84.8 Å²	84.8	20%	0.203	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.7	176.7	-44.5	0	0	0	0	109.8	L564 E565	S368-L564 WeakPolarHBondContact CA-O 3.34Å; S368-E565 WeakPolarHBondContact OG-CG 3.31Å; S368-E565 PolarHBondContact OG-OE1 3Å
369	I	30	Very low	32.6	Very low	34 Å²	34	85.4 Å²	85.4	17%	0.174	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.3	-176.7	-55.9	175.2	0	0	0	110.3	I367 V394 I395 L564 F571	I367-I369 HydrophobicContact CG2-CD1 4.41Å; I367-I369 HydrophobicContact CG2-CG1 4.04Å; I369-V394 HydrophobicContact CD1-CG1 4.44Å; I369-I395 HydrophobicContact CG2-CB 3.94Å; I369-I395 WeakPolarHBondContact CG2-O 3.42Å; I369-L564 PolarHBondContact N-O 3.19Å; I369-F571 HydrophobicContact CD1-CE1 3.74Å; I369-F571 HydrophobicContact CD1-CZ 3.74Å
370	I	29.4	Very low	32.8	Very low	56 Å²	56	82 Å²	82	29%	0.287	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.4	178.8	-63.9	162.8	0	0	0	110.2	I556 M561 V563	I370-I556 HydrophobicContact CD1-CD1 3.74Å; I370-I556 HydrophobicContact CG1-CD1 4.39Å; I370-I556 HydrophobicContact CG2-CD1 3.77Å; I370-M561 HydrophobicContact CG2-CB 4.01Å; I370-M561 HydrophobicContact CG2-CG 4.33Å; I370-M561 HydrophobicContact CG2-SD 3.33Å; I370-M561 WeakPolarHBondContact CG2-SD 3.17Å; I370-V563 HydrophobicContact CG1-CG2 4.47Å
371	A	29.4	Very low	33	Very low	20 Å²	20	80.1 Å²	80.1	17%	0.165	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	-171.3	0	0	0	0	0	115.5	I395 L562 L564	A371-I395 HydrophobicContact CB-CB 4.39Å; A371-I395 HydrophobicContact CB-CD1 3.51Å; A371-I395 HydrophobicContact CB-CG1 3.41Å; A371-I395 VanDerWaalsContact CB-CG1 3.41Å; A371-L562 PolarHBondContact N-O 3.34Å; A371-L564 HydrophobicContact CB-CD1 4.08Å
372	E	28.7	Very low	33.3	Very low	103 Å²	103	81.9 Å²	81.9	48%	0.481	44%	0.444	S	S	.	.			trans	-92.7	137.6	168.7	-169.6	175.3	-166.1	0	0	110.8	I395 R397	E372-I395 VanDerWaalsContact N-CD1 3.28Å; E372-R397 IonicContact OE2-NH2 2.78Å; E372-R397 PolarHBondContact OE2-NH2 3.41Å
373	W	32.5	Very low	33.7	Very low	214 Å²	214	82.5 Å²	82.5	81%	0.811	44%	0.442	S	S	*	.			trans	-83.6	132.4	-174.2	-179.3	56.4	0	0	0	112.3	T375	W373-T375 HydrophobicContact CH2-CG2 3.71Å; W373-T375 HydrophobicContact CZ2-CG2 3.47Å; W373-T375 VanDerWaalsContact CZ2-CG2 3.47Å; W373-T375 HydrophobicContact CZ3-CG2 4.47Å
374	S	29.5	Very low	34.3	Very low	98 Å²	98	90 Å²	90	69%	0.685	47%	0.471	S	S	*	.			trans	-130.3	123.1	167.1	73.8	0	0	0	0	111.6
375	T	34.7	Very low	34.6	Very low	102 Å²	102	94.7 Å²	94.7	63%	0.626	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	140.5	166.6	36.7	0	0	0	0	110.2	W373	W373-T375 HydrophobicContact CH2-CG2 3.71Å; W373-T375 HydrophobicContact CZ2-CG2 3.47Å; W373-T375 VanDerWaalsContact CZ2-CG2 3.47Å; W373-T375 HydrophobicContact CZ3-CG2 4.47Å
376	P	33	Very low	34.7	Very low	132 Å²	132	94 Å²	94	86%	0.857	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	cis	-125.3	17.3	42.9	40.5	-27.4	0	0	0	115.8	N378	P376-N378 PolarHBondContact O-N 3.36Å
377	M	35	Very low	35.2	Very low	139 Å²	139	100.2 Å²	100.2	69%	0.685	52%	0.516	S	S	*	.	S	Bend	trans	-71	120.9	179.4	-87.4	-173.7	155.1	0	0	112.1	K379 L382	M377-K379 PolarHBondContact O-N 3.06Å; M377-L382 HydrophobicContact CB-CD1 4.06Å; M377-L382 HydrophobicContact CG-CD1 4.28Å; M377-L382 HydrophobicContact SD-CD1 3.32Å; M377-L382 WeakPolarHBondContact SD-CD1 3.29Å
378	N	42.7	Very low	35.1	Very low	97 Å²	97	98.9 Å²	98.9	52%	0.519	51%	0.512	S	S	.	.			trans	-59	124.7	175.2	-175.3	-8.2	0	0	0	110.3	P376 D380 S381 L382	P376-N378 PolarHBondContact O-N 3.36Å; N378-D380 PolarHBondContact O-N 3.02Å; N378-D380 PolarHBondContact OD1-N 3.02Å; N378-S381 PolarHBondContact O-N 3Å; N378-L382 PolarHBondContact O-N 3.31Å
379	K	38.2	Very low	35.1	Very low	150 Å²	150	106.9 Å²	106.9	65%	0.652	54%	0.538	S	S	*	.	H	α-helix	trans	-48.4	-42.5	-177.6	-178.5	-175.9	173.7	-171.8	0	111.8	M377 L383	M377-K379 PolarHBondContact O-N 3.06Å; K379-L383 HydrophobicContact CG-CD1 3.92Å; K379-L383 WeakPolarHBondContact O-CB 3.5Å; K379-L383 VanDerWaalsContact O-CG 3.23Å; K379-L383 WeakPolarHBondContact O-CG 3.16Å; K379-L383 PolarHBondContact O-N 3.22Å; K379-L383 VanDerWaalsContact O-N 3.09Å
380	D	42.6	Very low	34.9	Very low	92 Å²	92	113.2 Å²	113.2	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-74.8	-36.8	-174	-63.3	-23.9	0	0	0	112.7	N378 L382 L383 K384	N378-D380 PolarHBondContact O-N 3.02Å; N378-D380 PolarHBondContact OD1-N 3.02Å; D380-L382 VanDerWaalsContact C-N 3.33Å; D380-L383 PolarHBondContact O-N 3.48Å; D380-L383 VanDerWaalsContact O-N 3.13Å; D380-K384 WeakPolarHBondContact O-CG 3.41Å; D380-K384 PolarHBondContact O-N 3.1Å
381	S	40.9	Very low	34.7	Very low	71 Å²	71	111.3 Å²	111.3	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-64.2	-41.9	175.4	-43.1	0	0	0	0	111	N378 L383 L385	N378-S381 PolarHBondContact O-N 3Å; S381-L383 VanDerWaalsContact C-N 3.26Å; S381-L383 PolarHBondContact O-N 3.44Å; S381-L385 WeakPolarHBondContact O-CB 3.49Å; S381-L385 PolarHBondContact O-N 2.89Å
382	L	38.4	Very low	34.5	Very low	55 Å²	55	111.8 Å²	111.8	29%	0.288	57%	0.568	S	S	.	*	H	α-helix	trans	-67	-31.6	175.9	-145.6	106.4	0	0	0	110.4	M377 N378 D380 L386 R393	M377-L382 HydrophobicContact CB-CD1 4.06Å; M377-L382 HydrophobicContact CG-CD1 4.28Å; M377-L382 HydrophobicContact SD-CD1 3.32Å; M377-L382 WeakPolarHBondContact SD-CD1 3.29Å; N378-L382 PolarHBondContact O-N 3.31Å; D380-L382 VanDerWaalsContact C-N 3.33Å; L382-L386 HydrophobicContact CD2-CD1 3.87Å; L382-L386 HydrophobicContact CG-CD1 4.08Å; L382-L386 WeakPolarHBondContact O-CD1 3.26Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.88Å; L382-R393 VanDerWaalsContact CB-NH2 3.29Å; L382-R393 VanDerWaalsContact CD2-NH1 3.31Å; L382-R393 PolarHBondContact O-NH2 2.92Å
383	L	39.2	Very low	34.5	Very low	71 Å²	71	109.3 Å²	109.3	37%	0.372	56%	0.555	S	S	.	*	H	α-helix	trans	-78	-39.7	-172.8	-81.8	169.2	0	0	0	109.7	K379 D380 S381	K379-L383 HydrophobicContact CG-CD1 3.92Å; K379-L383 WeakPolarHBondContact O-CB 3.5Å; K379-L383 VanDerWaalsContact O-CG 3.23Å; K379-L383 WeakPolarHBondContact O-CG 3.16Å; K379-L383 PolarHBondContact O-N 3.22Å; K379-L383 VanDerWaalsContact O-N 3.09Å; D380-L383 PolarHBondContact O-N 3.48Å; D380-L383 VanDerWaalsContact O-N 3.13Å; S381-L383 VanDerWaalsContact C-N 3.26Å; S381-L383 PolarHBondContact O-N 3.44Å
384	K	42	Very low	34.2	Very low	177 Å²	177	101.6 Å²	101.6	77%	0.77	53%	0.531	S	S	*	.	H	α-helix	trans	-63.4	-37.7	171.2	-72.5	179.2	177.6	-178.1	0	113	D380	D380-K384 WeakPolarHBondContact O-CG 3.41Å; D380-K384 PolarHBondContact O-N 3.1Å
385	L	36.2	Very low	34.1	Very low	150 Å²	150	99 Å²	99	79%	0.785	51%	0.509	S	S	*	.	H	α-helix	trans	-74.4	-28.8	-175.6	-148.3	101.6	0	0	0	114	S381	S381-L385 WeakPolarHBondContact O-CB 3.49Å; S381-L385 PolarHBondContact O-N 2.89Å
386	L	35.4	Very low	33.6	Very low	62 Å²	62	101.9 Å²	101.9	33%	0.325	52%	0.52	S	S	.	.	H	α-helix	trans	-98.9	-13.7	-168.2	-70.3	170.5	0	0	0	114.3	L382 P388 R393	L382-L386 HydrophobicContact CD2-CD1 3.87Å; L382-L386 HydrophobicContact CG-CD1 4.08Å; L382-L386 WeakPolarHBondContact O-CD1 3.26Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.88Å; L386-P388 VanDerWaalsContact C-CD 3.43Å; L386-P388 VanDerWaalsContact O-N 3.09Å; L386-R393 HydrophobicContact CD1-CB 4.31Å; L386-R393 HydrophobicContact CD1-CG 3.95Å
387	K	39.7	Very low	33.3	Very low	176 Å²	176	103.6 Å²	103.6	77%	0.765	51%	0.509	S	S	*	.			trans	31.9	55.4	-174	-70.8	-168.4	176.3	-173.1	0	112.9
388	P	30.8	Very low	32.9	Very low	48 Å²	48	106.7 Å²	106.7	31%	0.312	52%	0.519	S	S	.	.			trans	-68	141.1	-175.9	31.6	-35	0	0	0	109.6	L386 S392	L386-P388 VanDerWaalsContact C-CD 3.43Å; L386-P388 VanDerWaalsContact O-N 3.09Å; P388-S392 WeakPolarHBondContact CB-O 3.43Å
389	R	28	Very low	32.3	Very low	198 Å²	198	109.7 Å²	109.7	75%	0.747	53%	0.527	S	S	*	.			trans	-56.8	147.9	151.7	-106.6	-173.9	176.1	-173.6	-1.5	106.7	G391 S392	R389-G391 PolarHBondContact O-N 2.94Å; R389-S392 PolarHBondContact O-N 3.16Å; R389-S392 PolarHBondContact O-OG 3.12Å; R389-S392 VanDerWaalsContact O-OG 3.12Å
390	D	26.5	Very low	31.9	Very low	166 Å²	166	107.1 Å²	107.1	89%	0.888	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.8	117.7	171.6	-80.1	-38.9	0	0	0	110
391	G	26	Very low	31.4	Very low	17 Å²	17	107.8 Å²	107.8	18%	0.175	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	38.2	177.3	0	0	0	0	0	119.2	R389 N552 L564 E565	R389-G391 PolarHBondContact O-N 2.94Å; G391-N552 WeakPolarHBondContact CA-OD1 3.23Å; G391-L564 WeakPolarHBondContact O-CA 3.49Å; G391-E565 PolarHBondContact O-N 3.44Å
392	S	25.1	Very low	31.2	Very low	29 Å²	29	107.5 Å²	107.5	20%	0.203	53%	0.526	C	S	.	.			trans	-152.8	122.9	176.7	50.8	0	0	0	0	119.3	P388 R389 E565	P388-S392 WeakPolarHBondContact CB-O 3.43Å; R389-S392 PolarHBondContact O-N 3.16Å; R389-S392 PolarHBondContact O-OG 3.12Å; R389-S392 VanDerWaalsContact O-OG 3.12Å; S392-E565 WeakPolarHBondContact CB-O 3.33Å
393	R	28.4	Very low	31.2	Very low	52 Å²	52	106.8 Å²	106.8	20%	0.196	52%	0.522	C	S	.	.			trans	-162.2	78.2	164.3	-45.9	174.8	148.1	177.4	-11.1	117.3	L382 L386 L564	L382-R393 VanDerWaalsContact CB-NH2 3.29Å; L382-R393 VanDerWaalsContact CD2-NH1 3.31Å; L382-R393 PolarHBondContact O-NH2 2.92Å; L386-R393 HydrophobicContact CD1-CB 4.31Å; L386-R393 HydrophobicContact CD1-CG 3.95Å; R393-L564 VanDerWaalsContact CA-CD1 3.5Å; R393-L564 HydrophobicContact CB-CD1 3.71Å; R393-L564 HydrophobicContact CB-CD2 4.19Å; R393-L564 HydrophobicContact CB-CG 4.34Å; R393-L564 HydrophobicContact CG-CD2 4.43Å; R393-L564 WeakPolarHBondContact O-CD1 3.2Å
394	V	26.1	Very low	31	Very low	52 Å²	52	103.6 Å²	103.6	32%	0.315	51%	0.505	S	S	.	.			trans	15.7	115.4	140.8	-170.8	0	0	0	0	119.8	I369 L396 F571	I369-V394 HydrophobicContact CD1-CG1 4.44Å; V394-L396 HydrophobicContact CG1-CG 4.23Å; V394-F571 HydrophobicContact CG1-CE1 4.4Å; V394-F571 HydrophobicContact CG2-CE1 4.27Å
395	I	26.6	Very low	31.1	Very low	43 Å²	43	96.8 Å²	96.8	22%	0.221	48%	0.477	C	S	.	.			trans	-100	121.5	146.5	-79.9	-164.6	0	0	0	110.2	I369 A371 E372 R397	I369-I395 HydrophobicContact CG2-CB 3.94Å; I369-I395 WeakPolarHBondContact CG2-O 3.42Å; A371-I395 HydrophobicContact CB-CB 4.39Å; A371-I395 HydrophobicContact CB-CD1 3.51Å; A371-I395 HydrophobicContact CB-CG1 3.41Å; A371-I395 VanDerWaalsContact CB-CG1 3.41Å; E372-I395 VanDerWaalsContact N-CD1 3.28Å; I395-R397 HydrophobicContact CG2-CB 3.89Å; I395-R397 HydrophobicContact CG2-CG 3.76Å; I395-R397 PolarHBondContact O-N 3.43Å
396	L	25.7	Very low	31.3	Very low	163 Å²	163	90 Å²	90	85%	0.853	44%	0.442	S	S	*	.			trans	-80.9	85.9	161.8	-82.1	155.4	0	0	0	108.7	V394	V394-L396 HydrophobicContact CG1-CG 4.23Å
397	R	25.6	Very low	31.5	Very low	168 Å²	168	88 Å²	88	63%	0.634	43%	0.431	S	S	*	.			trans	-91.6	121.8	164	-103.8	-178.2	-177.6	166.9	6.1	108.3	E372 I395 F399	E372-R397 IonicContact OE2-NH2 2.78Å; E372-R397 PolarHBondContact OE2-NH2 3.41Å; I395-R397 HydrophobicContact CG2-CB 3.89Å; I395-R397 HydrophobicContact CG2-CG 3.76Å; I395-R397 PolarHBondContact O-N 3.43Å; R397-F399 PolarHBondContact O-N 2.98Å
398	K	26.9	Very low	31.5	Very low	204 Å²	204	83.8 Å²	83.8	89%	0.887	41%	0.414	S	S	*	.			trans	-59.5	102.5	170.3	-167.8	-179.3	-175.1	-177.1	0	107.9	A400	K398-A400 PolarHBondContact O-N 2.96Å
399	F	29.3	Very low	31.7	Very low	159 Å²	159	88 Å²	88	70%	0.697	43%	0.433	S	S	*	.			trans	-67.6	103.6	169.5	-74.6	-80.8	0	0	0	107.9	R397 I403	R397-F399 PolarHBondContact O-N 2.98Å; F399-I403 HydrophobicContact CD1-CD1 4.1Å; F399-I403 HydrophobicContact CE1-CD1 3.84Å; F399-I403 HydrophobicContact CZ-CD1 4.33Å
400	A	29.3	Very low	32	Very low	96 Å²	96	83.2 Å²	83.2	79%	0.793	42%	0.423	S	S	*	.			trans	-80	-1.8	170.8	0	0	0	0	0	112.2	K398	K398-A400 PolarHBondContact O-N 2.96Å
401	K	33.9	Very low	32.3	Very low	106 Å²	106	75.8 Å²	75.8	46%	0.461	39%	0.385	S	S	.	.	S	Bend	trans	-137	138.2	-169.1	-63	-180	173.3	-146.6	0	110.7	I418 N420	K401-I418 HydrophobicContact CB-CG2 4.36Å; K401-N420 WeakPolarHBondContact CD-OD1 3.21Å; K401-N420 WeakPolarHBondContact CE-OD1 2.93Å; K401-N420 PolarHBondContact NZ-ND2 3.44Å; K401-N420 PolarHBondContact NZ-OD1 3.44Å
402	N	35.9	Very low	32.8	Very low	66 Å²	66	77 Å²	77	35%	0.353	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.6	179.4	-63.5	-26.7	0	0	0	110.1	I419	N402-I419 PolarHBondContact O-N 2.64Å
403	I	37.6	Very low	33.4	Very low	39 Å²	39	79.1 Å²	79.1	20%	0.2	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.8	170.4	-57.7	172.4	0	0	0	106.8	F399	F399-I403 HydrophobicContact CD1-CD1 4.1Å; F399-I403 HydrophobicContact CE1-CD1 3.84Å; F399-I403 HydrophobicContact CZ-CD1 4.33Å
404	C	37	Very low	33.8	Very low	5 Å²	5	81 Å²	81	3%	0.034	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.2	177.2	-174.8	0	0	0	0	110.5	E416 R417 I419 H430 L431	C404-E416 VanDerWaalsContact O-CA 3.24Å; C404-E416 WeakPolarHBondContact O-CA 3.46Å; C404-E416 WeakPolarHBondContact O-CB 3.47Å; C404-R417 PolarHBondContact N-O 3.31Å; C404-R417 VanDerWaalsContact N-O 3.09Å; C404-R417 PolarHBondContact O-N 3.41Å; C404-I419 HydrophobicContact CB-CD1 3.28Å; C404-I419 HydrophobicContact CB-CG1 3.74Å; C404-H430 PolarHBondContact SG-CD2 3.17Å; C404-L431 WeakPolarHBondContact CA-O 3.46Å
405	I	42.5	Very low	34.4	Very low	33 Å²	33	80.8 Å²	80.8	17%	0.169	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.6	171.2	-48.4	-172.7	0	0	0	108.7	V413 E416 H430 L431	I405-V413 HydrophobicContact CG2-CB 4.26Å; I405-V413 HydrophobicContact CG2-CG1 3.42Å; I405-V413 VanDerWaalsContact CG2-CG1 3.42Å; I405-V413 HydrophobicContact CG2-CG2 3.84Å; I405-E416 HydrophobicContact CB-CG 3.95Å; I405-E416 HydrophobicContact CG1-CG 3.81Å; I405-E416 HydrophobicContact CG2-CG 3.75Å; I405-H430 WeakPolarHBondContact O-CA 3.33Å; I405-L431 HydrophobicContact CB-CB 3.85Å; I405-L431 HydrophobicContact CD1-CD2 3.62Å; I405-L431 HydrophobicContact CG1-CB 4.17Å; I405-L431 HydrophobicContact CG1-CD2 4.13Å; I405-L431 PolarHBondContact N-O 3.46Å; I405-L431 PolarHBondContact O-N 3.43Å
406	C	41.2	Very low	35	Very low	7 Å²	7	80.8 Å²	80.8	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.3	178.1	-58.6	0	0	0	0	111.1	V413 Y414 T415 C427 W429	C406-V413 WeakPolarHBondContact O-CA 3.42Å; C406-Y414 HydrophobicContact CB-CD1 4.44Å; C406-Y414 HydrophobicContact CB-CE1 3.89Å; C406-Y414 HydrophobicContact CB-CE2 4.42Å; C406-Y414 WeakPolarHBondContact O-CD1 3.23Å; C406-Y414 PolarHBondContact O-N 2.93Å; C406-T415 WeakPolarHBondContact CA-O 3.35Å; C406-T415 HydrophobicContact CB-CG2 3.5Å; C406-T415 VanDerWaalsContact CB-O 3.31Å; C406-T415 WeakPolarHBondContact CB-O 3.41Å; C406-T415 PolarHBondContact N-O 2.99Å; C406-C427 HydrophobicContact CB-CB 3.67Å; C406-C427 WeakPolarHBondContact CB-SG 3.47Å; C406-C427 WeakPolarHBondContact SG-CB 3.32Å; C406-C427 CovalentContact SG-SG 2.03Å; C406-C427 PolarHBondContact SG-SG 3.41Å; C406-W429 WeakPolarHBondContact CA-O 3.25Å
407	M	40.3	Very low	35.7	Very low	22 Å²	22	80.2 Å²	80.2	11%	0.108	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.5	-177.9	-69.8	166	49.9	0	0	110.8	I352 T412 V413 W429 F440	I352-M407 HydrophobicContact CD1-CE 4.39Å; M407-T412 WeakPolarHBondContact CA-O 3.07Å; M407-V413 HydrophobicContact CG-CG2 3.79Å; M407-W429 HydrophobicContact CB-CB 4.36Å; M407-W429 PolarHBondContact N-O 3.46Å; M407-F440 HydrophobicContact CE-CE1 4.26Å; M407-F440 HydrophobicContact SD-CD1 4.44Å; M407-F440 HydrophobicContact SD-CE1 3.7Å
408	H	39.4	Very low	36.4	Very low	86 Å²	86	77.6 Å²	77.6	40%	0.398	39%	0.39	S	S	.	.			trans	-67.4	158.9	166.2	-73	-70.6	0	0	0	110.1	N410 G411 T412 Y414	H408-N410 WeakPolarHBondContact CB-OD1 3.28Å; H408-N410 PolarHBondContact O-N 3.14Å; H408-G411 WeakPolarHBondContact O-CA 3.49Å; H408-G411 PolarHBondContact O-N 3.43Å; H408-T412 PolarHBondContact CD2-O 3.22Å; H408-T412 PolarHBondContact CD2-OG1 3.06Å; H408-T412 PolarHBondContact N-O 2.94Å; H408-Y414 AromaticContact CD2-CD1 3.44Å; H408-Y414 VanDerWaalsContact CD2-CD1 3.44Å; H408-Y414 WeakPolarHBondContact CD2-CD1 3.47Å; H408-Y414 AromaticContact CD2-CG 3.79Å; H408-Y414 AromaticContact CE1-CD1 3.92Å; H408-Y414 AromaticContact CE1-CG 3.99Å; H408-Y414 AromaticContact CG-CD1 3.76Å; H408-Y414 WeakPolarHBondContact NE2-CB 3.49Å; H408-Y414 AromaticContact NE2-CD1 3.58Å; H408-Y414 AromaticContact NE2-CG 3.47Å
409	L	33.7	Very low	37.1	Very low	137 Å²	137	70.3 Å²	70.3	72%	0.717	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-30.3	172.2	-93.7	145.3	0	0	0	115.3	G411 E428	L409-G411 VanDerWaalsContact C-N 3.31Å; L409-E428 VanDerWaalsContact CD1-OE2 3.28Å; L409-E428 WeakPolarHBondContact CD1-OE2 3.39Å; L409-E428 WeakPolarHBondContact CG-OE2 3.3Å
410	N	36	Very low	37.5	Very low	98 Å²	98	67.1 Å²	67.1	52%	0.524	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.5	177.8	66.8	-3	0	0	0	114.2	H408 T412	H408-N410 WeakPolarHBondContact CB-OD1 3.28Å; H408-N410 PolarHBondContact O-N 3.14Å; N410-T412 PolarHBondContact ND2-OG1 3Å; N410-T412 PolarHBondContact OD1-N 3.28Å; N410-T412 PolarHBondContact OD1-OG1 2.73Å
411	G	32.8	Very low	38	Very low	9 Å²	9	71.7 Å²	71.7	9%	0.093	36%	0.355	C	S	.	.	S	Bend	trans	88.8	0.9	-177.3	0	0	0	0	0	116.1	H408 L409 V413	H408-G411 WeakPolarHBondContact O-CA 3.49Å; H408-G411 PolarHBondContact O-N 3.43Å; L409-G411 VanDerWaalsContact C-N 3.31Å; G411-V413 PolarHBondContact O-N 2.56Å
412	T	35.2	Very low	38.1	Very low	43 Å²	43	71.4 Å²	71.4	26%	0.264	36%	0.363	S	S	.	.			trans	-75.9	125.9	176.3	47	0	0	0	0	111.5	M407 H408 N410	M407-T412 WeakPolarHBondContact CA-O 3.07Å; H408-T412 PolarHBondContact CD2-O 3.22Å; H408-T412 PolarHBondContact CD2-OG1 3.06Å; H408-T412 PolarHBondContact N-O 2.94Å; N410-T412 PolarHBondContact ND2-OG1 3Å; N410-T412 PolarHBondContact OD1-N 3.28Å; N410-T412 PolarHBondContact OD1-OG1 2.73Å
413	V	37.3	Very low	38	Very low	73 Å²	73	74.2 Å²	74.2	44%	0.442	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.8	176	176.7	0	0	0	0	110	I405 C406 M407 G411 E416	I405-V413 HydrophobicContact CG2-CB 4.26Å; I405-V413 HydrophobicContact CG2-CG1 3.42Å; I405-V413 VanDerWaalsContact CG2-CG1 3.42Å; I405-V413 HydrophobicContact CG2-CG2 3.84Å; C406-V413 WeakPolarHBondContact O-CA 3.42Å; M407-V413 HydrophobicContact CG-CG2 3.79Å; G411-V413 PolarHBondContact O-N 2.56Å; V413-E416 HydrophobicContact CG1-CG 4.48Å
414	Y	37.9	Very low	37.9	Very low	93 Å²	93	77.6 Å²	77.6	37%	0.365	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-15.8	-177.8	68.6	-82.5	0	0	0	115	C406 H408 N426 C427	C406-Y414 HydrophobicContact CB-CD1 4.44Å; C406-Y414 HydrophobicContact CB-CE1 3.89Å; C406-Y414 HydrophobicContact CB-CE2 4.42Å; C406-Y414 WeakPolarHBondContact O-CD1 3.23Å; C406-Y414 PolarHBondContact O-N 2.93Å; H408-Y414 AromaticContact CD2-CD1 3.44Å; H408-Y414 VanDerWaalsContact CD2-CD1 3.44Å; H408-Y414 WeakPolarHBondContact CD2-CD1 3.47Å; H408-Y414 AromaticContact CD2-CG 3.79Å; H408-Y414 AromaticContact CE1-CD1 3.92Å; H408-Y414 AromaticContact CE1-CG 3.99Å; H408-Y414 AromaticContact CG-CD1 3.76Å; H408-Y414 WeakPolarHBondContact NE2-CB 3.49Å; H408-Y414 AromaticContact NE2-CD1 3.58Å; H408-Y414 AromaticContact NE2-CG 3.47Å; Y414-N426 PolarHBondContact OH-O 3.4Å; Y414-N426 VanDerWaalsContact OH-O 3.07Å; Y414-C427 WeakPolarHBondContact OH-CA 3.4Å
415	T	38.6	Very low	38	Very low	47 Å²	47	81 Å²	81	29%	0.288	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	147.7	177.1	167.4	0	0	0	0	112.1	C406	C406-T415 WeakPolarHBondContact CA-O 3.35Å; C406-T415 HydrophobicContact CB-CG2 3.5Å; C406-T415 VanDerWaalsContact CB-O 3.31Å; C406-T415 WeakPolarHBondContact CB-O 3.41Å; C406-T415 PolarHBondContact N-O 2.99Å
416	E	39.6	Very low	38	Very low	42 Å²	42	86.9 Å²	86.9	20%	0.196	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138	174.2	-58.6	177.8	-172.3	0	0	110.6	M307 C404 I405 V413	M307-E416 HydrophobicContact CE-CB 3.52Å; M307-E416 HydrophobicContact CE-CG 3.38Å; M307-E416 HydrophobicContact SD-CB 3.62Å; M307-E416 VanDerWaalsContact SD-CD 3.5Å; M307-E416 HydrophobicContact SD-CG 3.82Å; C404-E416 VanDerWaalsContact O-CA 3.24Å; C404-E416 WeakPolarHBondContact O-CA 3.46Å; C404-E416 WeakPolarHBondContact O-CB 3.47Å; I405-E416 HydrophobicContact CB-CG 3.95Å; I405-E416 HydrophobicContact CG1-CG 3.81Å; I405-E416 HydrophobicContact CG2-CG 3.75Å; V413-E416 HydrophobicContact CG1-CG 4.48Å
417	R	39.3	Very low	38	Very low	152 Å²	152	87 Å²	87	57%	0.574	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.6	175.8	-77.2	-172.6	176.6	-169.7	3.7	111.9	C404 I419 D425	C404-R417 PolarHBondContact N-O 3.31Å; C404-R417 VanDerWaalsContact N-O 3.09Å; C404-R417 PolarHBondContact O-N 3.41Å; R417-I419 PolarHBondContact O-N 3Å; R417-D425 IonicContact CZ-OD2 3.2Å; R417-D425 IonicContact NE-OD2 2.75Å; R417-D425 IonicContact NH1-OD2 3.73Å; R417-D425 PolarHBondContact NH1-OD2 3.26Å; R417-D425 IonicContact NH2-OD2 3.21Å
418	I	40.5	Very low	38.1	Very low	113 Å²	113	89.7 Å²	89.7	58%	0.579	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	111	169.6	-60.8	172.3	0	0	0	107.6	K401	K401-I418 HydrophobicContact CB-CG2 4.36Å
419	I	42.7	Very low	38.2	Very low	51 Å²	51	87.4 Å²	87.4	26%	0.262	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.6	-174.4	-54.8	-172.8	0	0	0	110.2	N402 C404 R417 Q421	N402-I419 PolarHBondContact O-N 2.64Å; C404-I419 HydrophobicContact CB-CD1 3.28Å; C404-I419 HydrophobicContact CB-CG1 3.74Å; R417-I419 PolarHBondContact O-N 3Å; I419-Q421 PolarHBondContact O-N 3.19Å
420	N	37.7	Very low	38.8	Very low	91 Å²	91	81.4 Å²	81.4	49%	0.487	42%	0.418	S	S	.	.			trans	-86.5	86.5	157.9	-73.6	-24.2	0	0	0	108.1	K401 T422	K401-N420 WeakPolarHBondContact CD-OD1 3.21Å; K401-N420 WeakPolarHBondContact CE-OD1 2.93Å; K401-N420 PolarHBondContact NZ-ND2 3.44Å; K401-N420 PolarHBondContact NZ-OD1 3.44Å; N420-T422 VanDerWaalsContact C-N 3.29Å; N420-T422 PolarHBondContact O-N 3.15Å; N420-T422 PolarHBondContact O-OG1 2.8Å; N420-T422 VanDerWaalsContact O-OG1 3.1Å
421	Q	39.1	Very low	39.2	Very low	193 Å²	193	78.1 Å²	78.1	90%	0.902	40%	0.401	S	S	*	.	S	Bend	trans	56.1	13.4	158.5	-65.9	179.8	-35.2	0	0	120	I419	I419-Q421 PolarHBondContact O-N 3.19Å
422	T	37	Very low	39.8	Very low	100 Å²	100	82.3 Å²	82.3	61%	0.613	41%	0.414	S	S	*	.			trans	-134.1	118.1	-179.1	36.6	0	0	0	0	111.9	N420 T424	N420-T422 VanDerWaalsContact C-N 3.29Å; N420-T422 PolarHBondContact O-N 3.15Å; N420-T422 PolarHBondContact O-OG1 2.8Å; N420-T422 VanDerWaalsContact O-OG1 3.1Å; T422-T424 PolarHBondContact O-N 3.05Å
423	L	33	Very low	40	Very low	125 Å²	125	83.1 Å²	83.1	65%	0.654	42%	0.418	S	S	*	.			trans	-70.5	99.8	172.5	-89.1	143	0	0	0	109.1
424	T	35.4	Very low	40.1	Very low	110 Å²	110	82.3 Å²	82.3	68%	0.675	42%	0.416	S	S	*	.			trans	-153.3	105.6	161.7	53.6	0	0	0	0	106.2	T422	T422-T424 PolarHBondContact O-N 3.05Å
425	D	38.8	Very low	39.9	Very low	76 Å²	76	88.1 Å²	88.1	41%	0.406	44%	0.437	S	S	.	.	S	Bend	trans	162.8	140.9	149.2	-76	-24.4	0	0	0	111.3	R417 C427	R417-D425 IonicContact CZ-OD2 3.2Å; R417-D425 IonicContact NE-OD2 2.75Å; R417-D425 IonicContact NH1-OD2 3.73Å; R417-D425 PolarHBondContact NH1-OD2 3.26Å; R417-D425 IonicContact NH2-OD2 3.21Å; D425-C427 VanDerWaalsContact C-N 3.31Å; D425-C427 PolarHBondContact O-N 2.97Å
426	N	42.6	Very low	39.7	Very low	156 Å²	156	91.5 Å²	91.5	83%	0.834	45%	0.449	S	S	*	.			trans	-59.6	64.8	-171.6	-59.8	-10.1	0	0	0	116.1	Y414	Y414-N426 PolarHBondContact OH-O 3.4Å; Y414-N426 VanDerWaalsContact OH-O 3.07Å
427	C	40.4	Very low	39.4	Very low	9 Å²	9	91.3 Å²	91.3	6%	0.061	46%	0.459	C	S	.	.			trans	-109.4	121.1	173.8	-62.4	0	0	0	0	110.6	C406 Y414 D425 H430 Q443	C406-C427 HydrophobicContact CB-CB 3.67Å; C406-C427 WeakPolarHBondContact CB-SG 3.47Å; C406-C427 WeakPolarHBondContact SG-CB 3.32Å; C406-C427 CovalentContact SG-SG 2.03Å; C406-C427 PolarHBondContact SG-SG 3.41Å; Y414-C427 WeakPolarHBondContact OH-CA 3.4Å; D425-C427 VanDerWaalsContact C-N 3.31Å; D425-C427 PolarHBondContact O-N 2.97Å; C427-H430 VanDerWaalsContact CB-CD2 3.5Å; C427-H430 WeakPolarHBondContact CB-CD2 3.2Å; C427-H430 WeakPolarHBondContact CB-NE2 3.45Å; C427-Q443 WeakPolarHBondContact O-CB 3.34Å
428	E	42.5	Very low	39.3	Very low	80 Å²	80	89.9 Å²	89.9	37%	0.374	46%	0.461	S	S	.	.	S	Bend	trans	-64.3	-45.5	176	-69.9	172.3	171.5	0	0	110.1	L409 H442 Q443	L409-E428 VanDerWaalsContact CD1-OE2 3.28Å; L409-E428 WeakPolarHBondContact CD1-OE2 3.39Å; L409-E428 WeakPolarHBondContact CG-OE2 3.3Å; E428-H442 CarbonylContact O-C 3.36Å; E428-H442 WeakPolarHBondContact O-CA 3.16Å; E428-H442 PolarHBondContact O-CD2 3.29Å; E428-Q443 PolarHBondContact O-N 2.66Å
429	W	42.9	Very low	39.2	Very low	37 Å²	37	86 Å²	86	14%	0.14	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.4	178	-68.9	89.1	0	0	0	112.7	C406 M407 F440 E441 H442	C406-W429 WeakPolarHBondContact CA-O 3.25Å; M407-W429 HydrophobicContact CB-CB 4.36Å; M407-W429 PolarHBondContact N-O 3.46Å; W429-F440 HydrophobicContact CE3-CB 4Å; W429-F440 HydrophobicContact CZ3-CB 4.16Å; W429-E441 CarbonylContact C-O 3.53Å; W429-E441 WeakPolarHBondContact CA-O 3.28Å; W429-H442 AromaticContact CD1-CD2 3.9Å; W429-H442 HydrophobicContact CD2-CB 4.32Å; W429-H442 AromaticContact CD2-CD2 3.88Å; W429-H442 AromaticContact CE2-CD2 3.53Å; W429-H442 HydrophobicContact CE3-CB 4.11Å; W429-H442 HydrophobicContact CH2-CB 4.32Å; W429-H442 HydrophobicContact CZ2-CB 4.48Å; W429-H442 AromaticContact CZ2-CD2 3.94Å; W429-H442 HydrophobicContact CZ3-CB 4.12Å; W429-H442 AromaticContact NE1-CD2 3.52Å
430	H	45.5	Very low	39.1	Very low	11 Å²	11	87 Å²	87	5%	0.051	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.7	179.2	-59.6	134.5	0	0	0	110.6	C404 I405 C427 R432 F440 E441	C404-H430 PolarHBondContact SG-CD2 3.17Å; I405-H430 WeakPolarHBondContact O-CA 3.33Å; C427-H430 VanDerWaalsContact CB-CD2 3.5Å; C427-H430 WeakPolarHBondContact CB-CD2 3.2Å; C427-H430 WeakPolarHBondContact CB-NE2 3.45Å; H430-R432 PolarHBondContact O-N 3.25Å; H430-F440 CarbonylContact O-C 3.53Å; H430-F440 VanDerWaalsContact O-CA 3.24Å; H430-F440 WeakPolarHBondContact O-CA 3.19Å; H430-E441 HydrophobicContact CB-CB 4Å; H430-E441 HydrophobicContact CB-CG 4.41Å; H430-E441 WeakPolarHBondContact CB-O 3.39Å; H430-E441 IonicContact CG-OE2 3.98Å; H430-E441 PolarHBondContact N-O 3.35Å; H430-E441 IonicContact ND1-OE2 3.79Å; H430-E441 PolarHBondContact ND1-OE2 3.25Å; H430-E441 PolarHBondContact O-N 3.4Å
431	L	44.4	Very low	39.3	Very low	29 Å²	29	85 Å²	85	15%	0.152	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.7	164.1	-170.7	78.6	0	0	0	109.7	C404 I405 I438 G439 F440	C404-L431 WeakPolarHBondContact CA-O 3.46Å; I405-L431 HydrophobicContact CB-CB 3.85Å; I405-L431 HydrophobicContact CD1-CD2 3.62Å; I405-L431 HydrophobicContact CG1-CB 4.17Å; I405-L431 HydrophobicContact CG1-CD2 4.13Å; I405-L431 PolarHBondContact N-O 3.46Å; I405-L431 PolarHBondContact O-N 3.43Å; L431-I438 HydrophobicContact CD1-CG2 3.52Å; L431-I438 HydrophobicContact CD2-CG2 4.3Å; L431-I438 HydrophobicContact CG-CG2 4.01Å; L431-G439 CarbonylContact C-O 3.54Å; L431-G439 WeakPolarHBondContact CA-O 2.98Å; L431-F440 HydrophobicContact CB-CD1 4.48Å; L431-F440 HydrophobicContact CB-CE1 4.37Å; L431-F440 HydrophobicContact CD1-CD1 3.84Å; L431-F440 HydrophobicContact CD1-CD2 4.25Å; L431-F440 HydrophobicContact CD1-CE1 3.45Å; L431-F440 VanDerWaalsContact CD1-CE1 3.45Å; L431-F440 HydrophobicContact CD1-CE2 3.89Å; L431-F440 HydrophobicContact CD1-CG 4.23Å; L431-F440 HydrophobicContact CD1-CZ 3.48Å; L431-F440 VanDerWaalsContact CD1-CZ 3.48Å
432	R	44.8	Very low	39.4	Very low	98 Å²	98	77.4 Å²	77.4	37%	0.37	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.6	172.6	-74.5	-168.5	177	-175.2	3.9	111.4	H430 I438 G439 E441	H430-R432 PolarHBondContact O-N 3.25Å; R432-I438 CarbonylContact O-C 3.6Å; R432-I438 WeakPolarHBondContact O-CA 3.38Å; R432-G439 PolarHBondContact N-O 3.19Å; R432-G439 PolarHBondContact O-N 3.39Å; R432-E441 VanDerWaalsContact CZ-CD 3.45Å; R432-E441 IonicContact CZ-OE1 3.79Å; R432-E441 VanDerWaalsContact CZ-OE1 3.24Å; R432-E441 IonicContact CZ-OE2 2.7Å; R432-E441 IonicContact NE-OE1 2.72Å; R432-E441 IonicContact NE-OE2 3.88Å; R432-E441 PolarHBondContact NE-OE2 3.17Å; R432-E441 IonicContact NH1-OE1 2.96Å; R432-E441 IonicContact NH2-OE1 3.75Å; R432-E441 PolarHBondContact NH2-OE1 3.18Å; R432-E441 IonicContact NH2-OE2 3.35Å; R432-E441 PolarHBondContact NH2-OE2 3.35Å
433	V	40.8	Very low	39.6	Very low	59 Å²	59	76.2 Å²	76.2	36%	0.358	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.7	167.2	-173.7	0	0	0	0	109.1	I438	V433-I438 HydrophobicContact CG1-CG1 4.44Å; V433-I438 HydrophobicContact CG2-CG1 4.34Å
434	S	38	Very low	39.9	Very low	56 Å²	56	74 Å²	74	39%	0.392	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	172.4	179.1	76.7	0	0	0	0	111.5	H436 G437	S434-H436 PolarHBondContact O-N 2.84Å; S434-H436 PolarHBondContact OG-N 3.25Å; S434-G437 PolarHBondContact N-O 3.02Å; S434-G437 PolarHBondContact O-N 3.22Å; S434-G437 PolarHBondContact OG-N 3.03Å; S434-G437 PolarHBondContact OG-O 3.46Å
435	R	34.4	Very low	40.2	Very low	215 Å²	215	72.5 Å²	72.5	81%	0.811	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-6	169.4	82.3	-166	172.3	151.1	1.9	113.3
436	H	34.6	Very low	39.9	Very low	118 Å²	118	77.4 Å²	77.4	55%	0.546	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-10.9	-176.9	-62.4	-2.1	0	0	0	113.5	S434	S434-H436 PolarHBondContact O-N 2.84Å; S434-H436 PolarHBondContact OG-N 3.25Å
437	G	32.7	Very low	39.8	Very low	39 Å²	39	77.2 Å²	77.2	40%	0.402	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.1	-173.8	-178.6	0	0	0	0	0	113	S434	S434-G437 PolarHBondContact N-O 3.02Å; S434-G437 PolarHBondContact O-N 3.22Å; S434-G437 PolarHBondContact OG-N 3.03Å; S434-G437 PolarHBondContact OG-O 3.46Å
438	I	37.2	Very low	39.8	Very low	121 Å²	121	80.3 Å²	80.3	62%	0.621	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.9	173.9	-57.6	174.8	0	0	0	107.3	L431 R432 V433	L431-I438 HydrophobicContact CD1-CG2 3.52Å; L431-I438 HydrophobicContact CD2-CG2 4.3Å; L431-I438 HydrophobicContact CG-CG2 4.01Å; R432-I438 CarbonylContact O-C 3.6Å; R432-I438 WeakPolarHBondContact O-CA 3.38Å; V433-I438 HydrophobicContact CG1-CG1 4.44Å; V433-I438 HydrophobicContact CG2-CG1 4.34Å
439	G	38	Very low	39.3	Very low	32 Å²	32	81 Å²	81	33%	0.33	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	164.5	177.2	0	0	0	0	0	112.6	L431 R432	L431-G439 CarbonylContact C-O 3.54Å; L431-G439 WeakPolarHBondContact CA-O 2.98Å; R432-G439 PolarHBondContact N-O 3.19Å; R432-G439 PolarHBondContact O-N 3.39Å
440	F	41.3	Very low	38.9	Very low	73 Å²	73	84 Å²	84	32%	0.32	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.9	175.4	-66.9	-88.1	0	0	0	110	M407 W429 H430 L431 L475	M407-F440 HydrophobicContact CE-CE1 4.26Å; M407-F440 HydrophobicContact SD-CD1 4.44Å; M407-F440 HydrophobicContact SD-CE1 3.7Å; W429-F440 HydrophobicContact CE3-CB 4Å; W429-F440 HydrophobicContact CZ3-CB 4.16Å; H430-F440 CarbonylContact O-C 3.53Å; H430-F440 VanDerWaalsContact O-CA 3.24Å; H430-F440 WeakPolarHBondContact O-CA 3.19Å; L431-F440 HydrophobicContact CB-CD1 4.48Å; L431-F440 HydrophobicContact CB-CE1 4.37Å; L431-F440 HydrophobicContact CD1-CD1 3.84Å; L431-F440 HydrophobicContact CD1-CD2 4.25Å; L431-F440 HydrophobicContact CD1-CE1 3.45Å; L431-F440 VanDerWaalsContact CD1-CE1 3.45Å; L431-F440 HydrophobicContact CD1-CE2 3.89Å; L431-F440 HydrophobicContact CD1-CG 4.23Å; L431-F440 HydrophobicContact CD1-CZ 3.48Å; L431-F440 VanDerWaalsContact CD1-CZ 3.48Å; F440-L475 HydrophobicContact CD2-CD1 4.19Å
441	E	41.4	Very low	38.2	Very low	48 Å²	48	89.8 Å²	89.8	22%	0.224	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.3	176.4	162.5	-173.3	-127.1	0	0	108.5	W429 H430 R432	W429-E441 CarbonylContact C-O 3.53Å; W429-E441 WeakPolarHBondContact CA-O 3.28Å; H430-E441 HydrophobicContact CB-CB 4Å; H430-E441 HydrophobicContact CB-CG 4.41Å; H430-E441 WeakPolarHBondContact CB-O 3.39Å; H430-E441 IonicContact CG-OE2 3.98Å; H430-E441 PolarHBondContact N-O 3.35Å; H430-E441 IonicContact ND1-OE2 3.79Å; H430-E441 PolarHBondContact ND1-OE2 3.25Å; H430-E441 PolarHBondContact O-N 3.4Å; R432-E441 VanDerWaalsContact CZ-CD 3.45Å; R432-E441 IonicContact CZ-OE1 3.79Å; R432-E441 VanDerWaalsContact CZ-OE1 3.24Å; R432-E441 IonicContact CZ-OE2 2.7Å; R432-E441 IonicContact NE-OE1 2.72Å; R432-E441 IonicContact NE-OE2 3.88Å; R432-E441 PolarHBondContact NE-OE2 3.17Å; R432-E441 IonicContact NH1-OE1 2.96Å; R432-E441 IonicContact NH2-OE1 3.75Å; R432-E441 PolarHBondContact NH2-OE1 3.18Å; R432-E441 IonicContact NH2-OE2 3.35Å; R432-E441 PolarHBondContact NH2-OE2 3.35Å
442	H	40.7	Very low	37.6	Very low	33 Å²	33	96.4 Å²	96.4	15%	0.153	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.5	176.1	-175	-98.4	0	0	0	109.7	E428 W429 D448 P473	E428-H442 CarbonylContact O-C 3.36Å; E428-H442 WeakPolarHBondContact O-CA 3.16Å; E428-H442 PolarHBondContact O-CD2 3.29Å; W429-H442 AromaticContact CD1-CD2 3.9Å; W429-H442 HydrophobicContact CD2-CB 4.32Å; W429-H442 AromaticContact CD2-CD2 3.88Å; W429-H442 AromaticContact CE2-CD2 3.53Å; W429-H442 HydrophobicContact CE3-CB 4.11Å; W429-H442 HydrophobicContact CH2-CB 4.32Å; W429-H442 HydrophobicContact CZ2-CB 4.48Å; W429-H442 AromaticContact CZ2-CD2 3.94Å; W429-H442 HydrophobicContact CZ3-CB 4.12Å; W429-H442 AromaticContact NE1-CD2 3.52Å; H442-D448 IonicContact CE1-OD2 2.56Å; H442-P473 HydrophobicContact CB-CB 4.46Å; H442-P473 HydrophobicContact CB-CG 3.95Å; H442-P473 VanDerWaalsContact N-CG 3.33Å
443	Q	42	Very low	37.3	Very low	76 Å²	76	93.9 Å²	93.9	36%	0.355	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-85.7	119.1	174.2	-172.8	169.4	-9.5	0	0	109.4	C427 E428	C427-Q443 WeakPolarHBondContact O-CB 3.34Å; E428-Q443 PolarHBondContact O-N 2.66Å
444	L	38.9	Very low	37	Very low	78 Å²	78	96.6 Å²	96.6	41%	0.408	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-68.6	135.8	174.4	-73.5	167.3	0	0	0	111.2	D448 W489	L444-D448 HydrophobicContact CD2-CB 3.56Å; L444-W489 HydrophobicContact CD1-CH2 3.32Å; L444-W489 HydrophobicContact CD1-CZ2 3.87Å; L444-W489 HydrophobicContact CD1-CZ3 4.1Å; L444-W489 HydrophobicContact CD2-CH2 3.46Å; L444-W489 VanDerWaalsContact CD2-CH2 3.46Å; L444-W489 HydrophobicContact CD2-CZ2 3.42Å; L444-W489 VanDerWaalsContact CD2-CZ2 3.42Å; L444-W489 HydrophobicContact CG-CH2 3.48Å; L444-W489 VanDerWaalsContact CG-CH2 3.48Å; L444-W489 HydrophobicContact CG-CZ2 3.98Å
445	T	41.6	Very low	36.7	Very low	78 Å²	78	102 Å²	102	48%	0.479	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-101.7	159.9	162.5	54.3	0	0	0	0	109.9	D447 D448	T445-D447 PolarHBondContact O-N 3.26Å; T445-D447 VanDerWaalsContact O-N 3.09Å; T445-D448 PolarHBondContact N-OD2 3.45Å; T445-D448 WeakPolarHBondContact O-CB 3.22Å; T445-D448 PolarHBondContact O-N 3.18Å; T445-D448 PolarHBondContact OG1-OD2 3.38Å
446	E	33.9	Very low	36.8	Very low	180 Å²	180	100.5 Å²	100.5	84%	0.841	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-57.3	-23.6	179.2	-74.5	-179.1	159.1	0	0	112.5	D448	E446-D448 VanDerWaalsContact C-N 3.31Å; E446-D448 PolarHBondContact O-N 3.15Å
447	D	39.9	Very low	36.7	Very low	152 Å²	152	98.8 Å²	98.8	81%	0.813	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-74	-15.8	177.3	-61.3	-32.6	0	0	0	113.9	T445 I449	T445-D447 PolarHBondContact O-N 3.26Å; T445-D447 VanDerWaalsContact O-N 3.09Å; D447-I449 VanDerWaalsContact C-N 3.31Å; D447-I449 PolarHBondContact O-N 2.98Å
448	D	39.1	Very low	36.5	Very low	74 Å²	74	103.9 Å²	103.9	40%	0.396	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-84.2	-4	-179.2	-65.9	-50	0	0	0	113.3	H442 L444 T445 E446 T450	H442-D448 IonicContact CE1-OD2 2.56Å; L444-D448 HydrophobicContact CD2-CB 3.56Å; T445-D448 PolarHBondContact N-OD2 3.45Å; T445-D448 WeakPolarHBondContact O-CB 3.22Å; T445-D448 PolarHBondContact O-N 3.18Å; T445-D448 PolarHBondContact OG1-OD2 3.38Å; E446-D448 VanDerWaalsContact C-N 3.31Å; E446-D448 PolarHBondContact O-N 3.15Å; D448-T450 PolarHBondContact O-N 3.46Å
449	I	33.7	Very low	36.2	Very low	95 Å²	95	105.8 Å²	105.8	49%	0.487	55%	0.552	S	S	.	*			trans	-93.1	95.1	-178	-53.6	175.6	0	0	0	108.7	D447	D447-I449 VanDerWaalsContact C-N 3.31Å; D447-I449 PolarHBondContact O-N 2.98Å
450	T	33.3	Very low	35.8	Very low	99 Å²	99	111.6 Å²	111.6	61%	0.607	58%	0.575	S	S	*	*			trans	-75.8	140.2	169.1	42	0	0	0	0	110.8	D448 E452 S453	D448-T450 PolarHBondContact O-N 3.46Å; T450-E452 PolarHBondContact O-N 3.43Å; T450-S453 WeakPolarHBondContact O-CB 2.98Å; T450-S453 PolarHBondContact O-N 3.02Å; T450-S453 PolarHBondContact O-OG 3.44Å
451	D	32.2	Very low	35.2	Very low	132 Å²	132	114.3 Å²	114.3	71%	0.706	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-54.2	-21.3	-176.3	-82.5	-33.2	0	0	0	114.4	S453 Q454	D451-S453 PolarHBondContact O-N 3.39Å; D451-Q454 PolarHBondContact O-N 2.91Å
452	E	31.5	Very low	34.7	Very low	169 Å²	169	116.4 Å²	116.4	79%	0.79	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-66.5	-19.4	175.4	-64.2	-168.1	161.1	0	0	113.3	T450 Q454	T450-E452 PolarHBondContact O-N 3.43Å; E452-Q454 VanDerWaalsContact C-N 3.33Å; E452-Q454 PolarHBondContact O-N 3.05Å
453	S	37.3	Very low	34.4	Very low	44 Å²	44	122.2 Å²	122.2	31%	0.308	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-79.5	-11	179.5	66.4	0	0	0	0	114.4	T450 D451	T450-S453 WeakPolarHBondContact O-CB 2.98Å; T450-S453 PolarHBondContact O-N 3.02Å; T450-S453 PolarHBondContact O-OG 3.44Å; D451-S453 PolarHBondContact O-N 3.39Å
454	Q	34.6	Very low	33.7	Very low	117 Å²	117	127.4 Å²	127.4	55%	0.547	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-84.9	-15.2	178.8	-65.9	-168.7	3.8	0	0	114.1	D451 E452 S457	D451-Q454 PolarHBondContact O-N 2.91Å; E452-Q454 VanDerWaalsContact C-N 3.33Å; E452-Q454 PolarHBondContact O-N 3.05Å; Q454-S457 PolarHBondContact O-OG 3.23Å
455	Q	32.9	Very low	33.1	Very low	168 Å²	168	127.1 Å²	127.1	79%	0.785	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-17.5	-179.2	-81.2	-174.9	-8.9	0	0	114.2
456	H	34.9	Very low	32.4	Very low	184 Å²	184	132.8 Å²	132.8	85%	0.852	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	0.1	179.5	-79.5	-64.4	0	0	0	114.8
457	S	33.4	Very low	32.2	Very low	83 Å²	83	130.8 Å²	130.8	58%	0.58	70%	0.703	S	S	*	*	S	Bend	trans	-99.5	2.4	-175.4	39.5	0	0	0	0	115.2	Q454	Q454-S457 PolarHBondContact O-OG 3.23Å
458	L	29.4	Very low	31.6	Very low	145 Å²	145	133.9 Å²	133.9	76%	0.759	71%	0.705	S	S	*	*			trans	-95.4	11.6	-170.9	-85.1	160.1	0	0	0	116.8
459	L	30.3	Very low	31	Very low	162 Å²	162	134.7 Å²	134.7	85%	0.848	71%	0.709	S	S	*	*	S	Bend	trans	-128.4	69.7	-175.3	-74.7	161.3	0	0	0	113.4
460	N	29.3	Very low	30.7	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	70%	0.7	S	S	*	*			trans	178.1	96.5	135.6	-99.6	-21.6	0	0	0	111.5	S462	N460-S462 PolarHBondContact O-N 2.98Å
461	P	29.5	Very low	30.5	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	69%	0.689	S	S	*	*			trans	-92.8	80.9	175.5	35.2	-28	0	0	0	110.3
462	S	30.9	Very low	30.5	Very low	93 Å²	93	128 Å²	128	65%	0.65	68%	0.675	S	S	*	*			trans	-174.6	86.6	160.1	58.4	0	0	0	0	111.8	N460	N460-S462 PolarHBondContact O-N 2.98Å
463	N	32.8	Very low	30.4	Very low	155 Å²	155	121 Å²	121	83%	0.829	64%	0.644	S	S	*	*			trans	172.9	116	140.8	-90.1	-19.1	0	0	0	109.3	A465	N463-A465 PolarHBondContact O-N 3.38Å
464	N	27.3	Very low	30.1	Very low	185 Å²	185	120.9 Å²	120.9	99%	0.989	64%	0.642	S	S	*	*			trans	-70.3	57.2	-179.8	-73.3	-22	0	0	0	113.2
465	A	27.9	Very low	30	Very low	71 Å²	71	118.4 Å²	118.4	59%	0.587	63%	0.632	S	S	*	*			trans	-99.8	126.5	163.2	0	0	0	0	0	108	N463 I467	N463-A465 PolarHBondContact O-N 3.38Å; A465-I467 VanDerWaalsContact C-N 3.34Å; A465-I467 WeakPolarHBondContact O-CG1 3.44Å; A465-I467 PolarHBondContact O-N 3.39Å
466	K	26.8	Very low	30	Very low	198 Å²	198	115.1 Å²	115.1	86%	0.861	62%	0.62	S	S	*	*			trans	-54.5	98	167.6	-78.4	177.6	173.8	178.5	0	108.6	Y468	K466-Y468 PolarHBondContact O-N 3.44Å; K466-Y468 VanDerWaalsContact O-N 3.15Å
467	I	28.3	Very low	29.9	Very low	137 Å²	137	108.3 Å²	108.3	70%	0.703	59%	0.591	S	S	*	*			trans	-73.6	102.8	174.3	-62.9	173	0	0	0	106.3	A465 D469	A465-I467 VanDerWaalsContact C-N 3.34Å; A465-I467 WeakPolarHBondContact O-CG1 3.44Å; A465-I467 PolarHBondContact O-N 3.39Å; I467-D469 VanDerWaalsContact C-N 3.32Å; I467-D469 HydrophobicContact CG2-CB 4.31Å; I467-D469 PolarHBondContact O-N 2.9Å; I467-D469 VanDerWaalsContact O-N 3.08Å
468	Y	28.2	Very low	30	Very low	218 Å²	218	109.4 Å²	109.4	86%	0.855	59%	0.59	S	S	*	*			trans	-69.1	95.5	160.5	-84.9	-87.7	0	0	0	107.1	K466 G470	K466-Y468 PolarHBondContact O-N 3.44Å; K466-Y468 VanDerWaalsContact O-N 3.15Å; Y468-G470 VanDerWaalsContact C-N 3.27Å; Y468-G470 PolarHBondContact O-N 2.82Å
469	D	26.3	Very low	30.3	Very low	90 Å²	90	105.9 Å²	105.9	48%	0.481	57%	0.571	S	S	.	*			trans	-76.1	77.7	-174.5	-141.2	21.9	0	0	0	110.5	I467 R471 H491	I467-D469 VanDerWaalsContact C-N 3.32Å; I467-D469 HydrophobicContact CG2-CB 4.31Å; I467-D469 PolarHBondContact O-N 2.9Å; I467-D469 VanDerWaalsContact O-N 3.08Å; D469-R471 VanDerWaalsContact C-N 3.28Å; D469-R471 PolarHBondContact O-N 2.83Å; D469-R471 IonicContact OD2-NE 3.92Å; D469-H491 IonicContact OD1-CE1 3.52Å; D469-H491 PolarHBondContact OD1-CE1 3.42Å; D469-H491 IonicContact OD1-ND1 3.23Å
470	G	27.8	Very low	30.6	Very low	30 Å²	30	104.5 Å²	104.5	31%	0.309	56%	0.561	S	S	.	*			trans	-79.4	70.4	178.4	0	0	0	0	0	112	Y468 S472	Y468-G470 VanDerWaalsContact C-N 3.27Å; Y468-G470 PolarHBondContact O-N 2.82Å; G470-S472 PolarHBondContact O-N 3.32Å
471	R	29.8	Very low	30.8	Very low	95 Å²	95	105.5 Å²	105.5	36%	0.358	56%	0.557	S	S	.	*			trans	-70.7	119.3	165.8	-63.2	-173.6	-177.7	177.1	3.6	108.5	D469 W489 H491	D469-R471 VanDerWaalsContact C-N 3.28Å; D469-R471 PolarHBondContact O-N 2.83Å; D469-R471 IonicContact OD2-NE 3.92Å; R471-W489 HydrophobicContact CB-CD2 4.45Å; R471-W489 HydrophobicContact CB-CE3 3.46Å; R471-W489 VanDerWaalsContact CB-CE3 3.46Å; R471-W489 HydrophobicContact CB-CZ3 3.62Å; R471-W489 HydrophobicContact CG-CE3 4.42Å; R471-H491 PolarHBondContact NE-NE2 3.29Å
472	S	30.7	Very low	31.1	Very low	60 Å²	60	101.6 Å²	101.6	42%	0.42	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.9	178.5	-59.9	0	0	0	0	109.7	G470	G470-S472 PolarHBondContact O-N 3.32Å
473	P	30.2	Very low	31	Very low	23 Å²	23	104.3 Å²	104.3	15%	0.149	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138	-177.3	24.7	-29.3	0	0	0	112	H442 G488	H442-P473 HydrophobicContact CB-CB 4.46Å; H442-P473 HydrophobicContact CB-CG 3.95Å; H442-P473 VanDerWaalsContact N-CG 3.33Å; P473-G488 CarbonylContact C-O 3.56Å; P473-G488 WeakPolarHBondContact CA-O 3.41Å
474	T	31.7	Very low	30.9	Very low	41 Å²	41	100.1 Å²	100.1	25%	0.252	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.3	170.5	44.5	0	0	0	0	109.4	N476 S487 G488 A498	T474-N476 PolarHBondContact O-N 2.9Å; T474-S487 CarbonylContact O-C 3.44Å; T474-S487 WeakPolarHBondContact O-CA 3.09Å; T474-G488 PolarHBondContact N-O 3.06Å; T474-G488 PolarHBondContact O-N 3.48Å; T474-G488 PolarHBondContact OG1-O 2.89Å; T474-A498 HydrophobicContact CG2-CB 4.31Å
475	L	32.3	Very low	31.2	Very low	65 Å²	65	95 Å²	95	34%	0.34	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	111.5	174.3	-70.4	162.4	0	0	0	109.1	F440 I485	F440-L475 HydrophobicContact CD2-CD1 4.19Å; L475-I485 HydrophobicContact CD2-CG2 3.14Å; L475-I485 HydrophobicContact CG-CG2 4.42Å
476	N	31.9	Very low	31.4	Very low	99 Å²	99	92.9 Å²	92.9	53%	0.529	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	155.3	172.6	-129.3	-0.1	0	0	0	110.4	T474 A486	T474-N476 PolarHBondContact O-N 2.9Å; N476-A486 PolarHBondContact N-O 3.06Å; N476-A486 PolarHBondContact O-N 3.19Å
477	V	33.8	Very low	31.5	Very low	42 Å²	42	85.8 Å²	85.8	26%	0.255	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.3	-179.9	177.1	0	0	0	0	107.1	D479	V477-D479 VanDerWaalsContact C-N 3.29Å; V477-D479 PolarHBondContact O-N 3.47Å
478	I	35.8	Very low	31.7	Very low	106 Å²	106	79.9 Å²	79.9	54%	0.544	41%	0.413	S	S	.	.	S	Bend	trans	-60.5	-42	-175.8	-65	174.7	0	0	0	111	T484 A486	I478-T484 PolarHBondContact N-O 3.11Å; I478-A486 HydrophobicContact CB-CB 4.33Å; I478-A486 HydrophobicContact CD1-CB 3.49Å; I478-A486 VanDerWaalsContact CD1-CB 3.49Å; I478-A486 HydrophobicContact CG1-CB 2.99Å
479	D	36	Very low	31.8	Very low	70 Å²	70	74.3 Å²	74.3	37%	0.374	39%	0.39	S	S	.	.			trans	-158.1	134.2	-175.4	164.1	24.2	0	0	0	109	V477 K481 S482	V477-D479 VanDerWaalsContact C-N 3.29Å; V477-D479 PolarHBondContact O-N 3.47Å; D479-K481 PolarHBondContact O-N 3.22Å; D479-K481 VanDerWaalsContact O-N 3.12Å; D479-K481 PolarHBondContact OD1-N 3.37Å; D479-S482 WeakPolarHBondContact CB-OG 3.24Å; D479-S482 PolarHBondContact O-N 2.97Å; D479-S482 WeakPolarHBondContact OD2-CB 3.39Å; D479-S482 PolarHBondContact OD2-N 3.43Å
480	E	35.4	Very low	31.8	Very low	134 Å²	134	73.6 Å²	73.6	63%	0.626	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.3	179.7	-67	-163.6	146.5	0	0	113.4	K356	K356-E480 PolarHBondContact NZ-O 3.07Å
481	K	32.7	Very low	31.8	Very low	174 Å²	174	77.2 Å²	77.2	76%	0.757	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-33	178.6	-66	-179.4	178.2	177.2	0	114.1	D479 Y483	D479-K481 PolarHBondContact O-N 3.22Å; D479-K481 VanDerWaalsContact O-N 3.12Å; D479-K481 PolarHBondContact OD1-N 3.37Å; K481-Y483 VanDerWaalsContact O-CD2 3.29Å; K481-Y483 WeakPolarHBondContact O-CD2 3.39Å; K481-Y483 VanDerWaalsContact O-CE2 3.31Å; K481-Y483 WeakPolarHBondContact O-CE2 3.42Å
482	S	35.7	Very low	31.6	Very low	47 Å²	47	80.8 Å²	80.8	33%	0.329	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.7	-168.9	70.4	0	0	0	0	115.4	D479 T484	D479-S482 WeakPolarHBondContact CB-OG 3.24Å; D479-S482 PolarHBondContact O-N 2.97Å; D479-S482 WeakPolarHBondContact OD2-CB 3.39Å; D479-S482 PolarHBondContact OD2-N 3.43Å; S482-T484 PolarHBondContact O-N 3.28Å; S482-T484 PolarHBondContact OG-OG1 3.01Å
483	Y	30.3	Very low	31.3	Very low	150 Å²	150	83.9 Å²	83.9	59%	0.588	43%	0.43	S	S	*	.			trans	56.3	11.6	-179	-56	-84.9	0	0	0	114.7	K356 K481	K356-Y483 HydrophobicContact CD-CE1 4.36Å; K481-Y483 VanDerWaalsContact O-CD2 3.29Å; K481-Y483 WeakPolarHBondContact O-CD2 3.39Å; K481-Y483 VanDerWaalsContact O-CE2 3.31Å; K481-Y483 WeakPolarHBondContact O-CE2 3.42Å
484	T	30.6	Very low	31	Very low	68 Å²	68	93.7 Å²	93.7	42%	0.417	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-86.3	141.3	179.7	47	0	0	0	0	110.9	I478 S482	I478-T484 PolarHBondContact N-O 3.11Å; S482-T484 PolarHBondContact O-N 3.28Å; S482-T484 PolarHBondContact OG-OG1 3.01Å
485	I	33.3	Very low	30.7	Very low	78 Å²	78	99.3 Å²	99.3	40%	0.4	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.2	178	-63.8	173.9	0	0	0	107.2	L354 L475	L354-I485 HydrophobicContact CD1-CG1 4.47Å; L475-I485 HydrophobicContact CD2-CG2 3.14Å; L475-I485 HydrophobicContact CG-CG2 4.42Å
486	A	31.7	Very low	30.5	Very low	25 Å²	25	99.6 Å²	99.6	21%	0.207	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.7	165.4	0	0	0	0	0	111	N476 I478	N476-A486 PolarHBondContact N-O 3.06Å; N476-A486 PolarHBondContact O-N 3.19Å; I478-A486 HydrophobicContact CB-CB 4.33Å; I478-A486 HydrophobicContact CD1-CB 3.49Å; I478-A486 VanDerWaalsContact CD1-CB 3.49Å; I478-A486 HydrophobicContact CG1-CB 2.99Å
487	S	30.1	Very low	30.1	Very low	50 Å²	50	101.6 Å²	101.6	35%	0.35	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.7	158.6	54.4	0	0	0	0	110.9	T474	T474-S487 CarbonylContact O-C 3.44Å; T474-S487 WeakPolarHBondContact O-CA 3.09Å
488	G	31.8	Very low	29.8	Very low	13 Å²	13	102.3 Å²	102.3	13%	0.134	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	163	164.8	0	0	0	0	0	111	P473 T474	P473-G488 CarbonylContact C-O 3.56Å; P473-G488 WeakPolarHBondContact CA-O 3.41Å; T474-G488 PolarHBondContact N-O 3.06Å; T474-G488 PolarHBondContact O-N 3.48Å; T474-G488 PolarHBondContact OG1-O 2.89Å
489	W	29.8	Very low	29.4	Very low	100 Å²	100	100 Å²	100	38%	0.379	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.4	-172.4	-56.5	101.6	0	0	0	112.9	L444 R471	L444-W489 HydrophobicContact CD1-CH2 3.32Å; L444-W489 HydrophobicContact CD1-CZ2 3.87Å; L444-W489 HydrophobicContact CD1-CZ3 4.1Å; L444-W489 HydrophobicContact CD2-CH2 3.46Å; L444-W489 VanDerWaalsContact CD2-CH2 3.46Å; L444-W489 HydrophobicContact CD2-CZ2 3.42Å; L444-W489 VanDerWaalsContact CD2-CZ2 3.42Å; L444-W489 HydrophobicContact CG-CH2 3.48Å; L444-W489 VanDerWaalsContact CG-CH2 3.48Å; L444-W489 HydrophobicContact CG-CZ2 3.98Å; R471-W489 HydrophobicContact CB-CD2 4.45Å; R471-W489 HydrophobicContact CB-CE3 3.46Å; R471-W489 VanDerWaalsContact CB-CE3 3.46Å; R471-W489 HydrophobicContact CB-CZ3 3.62Å; R471-W489 HydrophobicContact CG-CE3 4.42Å
490	T	27.5	Very low	29.1	Very low	75 Å²	75	101.1 Å²	101.1	46%	0.46	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.8	159	57.6	0	0	0	0	111.3
491	H	26.5	Very low	28.6	Very low	106 Å²	106	98.6 Å²	98.6	49%	0.491	49%	0.488	S	S	.	.			trans	-80.7	146.5	-179.7	-99.1	-97.2	0	0	0	111.9	D469 R471	D469-H491 IonicContact OD1-CE1 3.52Å; D469-H491 PolarHBondContact OD1-CE1 3.42Å; D469-H491 IonicContact OD1-ND1 3.23Å; R471-H491 PolarHBondContact NE-NE2 3.29Å
492	Q	25.9	Very low	28.4	Very low	171 Å²	171	94.2 Å²	94.2	80%	0.799	48%	0.476	S	S	*	.			trans	100.7	99.2	170.4	-62	-172.2	-10.2	0	0	117.9	W494	Q492-W494 PolarHBondContact O-N 2.97Å
493	L	24	Very low	28	Very low	124 Å²	124	97.3 Å²	97.3	65%	0.649	48%	0.481	S	S	*	.			trans	-69.8	105.1	164.7	-80.6	153.5	0	0	0	111.8
494	W	24.7	Very low	28	Very low	230 Å²	230	91.9 Å²	91.9	87%	0.871	47%	0.471	S	S	*	.	S	Bend		-176.9	37.2	129.9	-117.2	71	0	0	0	113.6	Q492	Q492-W494 PolarHBondContact O-N 2.97Å
495	Q	25.3	Very low	28.1	Very low	158 Å²	158	94.4 Å²	94.4	74%	0.738	48%	0.476	S	S	*	.	S	Bend	trans	-162.2	136.3	166	-105.5	162.6	42.8	0	0	106.6	E497	Q495-E497 VanDerWaalsContact C-N 3.29Å; Q495-E497 PolarHBondContact O-N 3.27Å
496	P	27.1	Very low	28.2	Very low	72 Å²	72	97.5 Å²	97.5	47%	0.468	49%	0.489	S	S	.	.			trans	-67.5	93.2	172.7	25.4	-28.7	0	0	0	108.4	A498 T499	P496-A498 PolarHBondContact O-N 2.95Å; P496-T499 HydrophobicContact CB-CG2 3.8Å; P496-T499 HydrophobicContact CG-CG2 3.57Å; P496-T499 PolarHBondContact O-N 3.37Å
497	E	24.8	Very low	28.3	Very low	141 Å²	141	100.3 Å²	100.3	66%	0.659	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	9.3	176.8	-70	-171.7	159.5	0	0	113	Q495	Q495-E497 VanDerWaalsContact C-N 3.29Å; Q495-E497 PolarHBondContact O-N 3.27Å
498	A	26.6	Very low	28.5	Very low	57 Å²	57	101.3 Å²	101.3	47%	0.471	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137	63.1	162.9	0	0	0	0	0	111.1	T474 P496 W500	T474-A498 HydrophobicContact CG2-CB 4.31Å; P496-A498 PolarHBondContact O-N 2.95Å; A498-W500 PolarHBondContact O-N 3.32Å; A498-W500 VanDerWaalsContact O-N 3.12Å
499	T	27.4	Very low	28.7	Very low	58 Å²	58	102 Å²	102	36%	0.356	51%	0.511	S	S	.	.			trans	-71.5	100.6	167.6	46.6	0	0	0	0	110.4	P496 Q501	P496-T499 HydrophobicContact CB-CG2 3.8Å; P496-T499 HydrophobicContact CG-CG2 3.57Å; P496-T499 PolarHBondContact O-N 3.37Å; T499-Q501 PolarHBondContact O-N 3.32Å; T499-Q501 VanDerWaalsContact O-N 3.16Å
500	W	29	Very low	29	Very low	93 Å²	93	101.4 Å²	101.4	35%	0.352	51%	0.514	S	S	.	.			trans	-64.1	112.1	155.7	-61.5	98.1	0	0	0	107.7	L330 A498 V502	L330-W500 HydrophobicContact CB-CD2 4.43Å; L330-W500 HydrophobicContact CB-CE3 3.54Å; L330-W500 HydrophobicContact CB-CH2 4.27Å; L330-W500 HydrophobicContact CB-CZ3 3.46Å; L330-W500 VanDerWaalsContact CB-CZ3 3.46Å; L330-W500 HydrophobicContact CD2-CB 3.84Å; L330-W500 HydrophobicContact CD2-CD2 3.65Å; L330-W500 HydrophobicContact CD2-CE3 3.53Å; L330-W500 HydrophobicContact CD2-CG 3.82Å; L330-W500 HydrophobicContact CD2-CZ3 4.28Å; L330-W500 HydrophobicContact CG-CE3 4.07Å; L330-W500 HydrophobicContact CG-CZ3 4.36Å; A498-W500 PolarHBondContact O-N 3.32Å; A498-W500 VanDerWaalsContact O-N 3.12Å; W500-V502 PolarHBondContact O-N 3.43Å
501	Q	26.5	Very low	29.4	Very low	80 Å²	80	102.2 Å²	102.2	37%	0.374	52%	0.515	S	S	.	.			trans	-80	109.4	168.6	-72.8	-171.4	21.8	0	0	108	F333 T499 Y503	F333-Q501 HydrophobicContact CE2-CG 3.98Å; T499-Q501 PolarHBondContact O-N 3.32Å; T499-Q501 VanDerWaalsContact O-N 3.16Å; Q501-Y503 HydrophobicContact CB-CD2 3.99Å; Q501-Y503 HydrophobicContact CB-CE1 4.29Å; Q501-Y503 HydrophobicContact CB-CE2 3.48Å; Q501-Y503 VanDerWaalsContact CB-CE2 3.48Å; Q501-Y503 VanDerWaalsContact O-CD2 3.24Å; Q501-Y503 WeakPolarHBondContact O-CD2 3.48Å; Q501-Y503 PolarHBondContact O-N 2.96Å; Q501-Y503 PolarHBondContact OE1-OH 2.91Å
502	V	28.1	Very low	29.8	Very low	82 Å²	82	99.7 Å²	99.7	50%	0.497	51%	0.513	S	S	.	.			trans	-71.5	95.4	170	175.1	0	0	0	0	107.9	L328 W500	L328-V502 HydrophobicContact CD2-CB 4.42Å; L328-V502 HydrophobicContact CD2-CG1 3.36Å; L328-V502 HydrophobicContact CD2-CG2 4.34Å; W500-V502 PolarHBondContact O-N 3.43Å
503	Y	27.8	Very low	30.4	Very low	113 Å²	113	94.6 Å²	94.6	44%	0.443	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-85.2	113.7	173.5	-65.3	-76.9	0	0	0	109.7	Q501	Q501-Y503 HydrophobicContact CB-CD2 3.99Å; Q501-Y503 HydrophobicContact CB-CE1 4.29Å; Q501-Y503 HydrophobicContact CB-CE2 3.48Å; Q501-Y503 VanDerWaalsContact CB-CE2 3.48Å; Q501-Y503 VanDerWaalsContact O-CD2 3.24Å; Q501-Y503 WeakPolarHBondContact O-CD2 3.48Å; Q501-Y503 PolarHBondContact O-N 2.96Å; Q501-Y503 PolarHBondContact OE1-OH 2.91Å
504	G	28.8	Very low	30.9	Very low	36 Å²	36	91 Å²	91	37%	0.371	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-73.7	123.3	154.3	0	0	0	0	0	108.8	Q506	G504-Q506 PolarHBondContact O-N 3.3Å
505	F	33.4	Very low	31.6	Very low	121 Å²	121	85.8 Å²	85.8	53%	0.531	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64.5	121.5	178.1	-131.1	-109.2	0	0	0	109.6	G509 L510 V513	F505-G509 WeakPolarHBondContact CE1-O 3.39Å; F505-L510 HydrophobicContact CD1-CB 3.85Å; F505-L510 HydrophobicContact CD1-CD1 3.56Å; F505-L510 HydrophobicContact CD1-CG 4.33Å; F505-L510 HydrophobicContact CE1-CB 4.29Å; F505-L510 HydrophobicContact CE1-CD1 4.04Å; F505-L510 VanDerWaalsContact CE1-N 3.31Å; F505-L510 HydrophobicContact CG-CD1 4.31Å; F505-V513 HydrophobicContact CE1-CG2 4.09Å; F505-V513 HydrophobicContact CZ-CG2 4.01Å
506	Q	34.5	Very low	32.6	Very low	142 Å²	142	87.3 Å²	87.3	66%	0.664	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-66.1	140.9	169	-75.7	-170.9	-6.5	0	0	109.2	G504 K508 G509 L510	G504-Q506 PolarHBondContact O-N 3.3Å; Q506-K508 PolarHBondContact O-N 3.41Å; Q506-G509 PolarHBondContact O-N 3.15Å; Q506-L510 PolarHBondContact O-N 3.37Å
507	P	34.2	Very low	33.2	Very low	85 Å²	85	88.9 Å²	88.9	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-51.5	-30.9	179.6	-27.1	32.7	0	0	0	114.2	L510 L511	P507-L510 WeakPolarHBondContact O-CB 3.48Å; P507-L510 PolarHBondContact O-N 3.16Å; P507-L511 PolarHBondContact O-N 3.27Å
508	K	35	Very low	33.6	Very low	70 Å²	70	89.8 Å²	89.8	30%	0.304	46%	0.462	S	S	.	.	H	α-helix	trans	-72.2	-32.7	178.2	-64.9	-173.2	-173.2	178.6	0	114.2	Q281 L283 Q506 L510 A512	Q281-K508 PolarHBondContact O-NZ 3.45Å; Q281-K508 VanDerWaalsContact O-NZ 3.15Å; L283-K508 HydrophobicContact CD1-CD 4.26Å; L283-K508 HydrophobicContact CD1-CG 3.79Å; Q506-K508 PolarHBondContact O-N 3.41Å; K508-L510 VanDerWaalsContact C-N 3.32Å; K508-A512 PolarHBondContact O-N 3.29Å
509	G	36.4	Very low	34.2	Very low	29 Å²	29	94.5 Å²	94.5	30%	0.299	48%	0.48	S	S	.	.	H	α-helix	trans	-70.2	-35.7	171.8	0	0	0	0	0	110.9	F505 Q506 A512 V513	F505-G509 WeakPolarHBondContact CE1-O 3.39Å; Q506-G509 PolarHBondContact O-N 3.15Å; G509-A512 PolarHBondContact O-N 3.47Å; G509-V513 WeakPolarHBondContact O-CG2 3.47Å; G509-V513 PolarHBondContact O-N 3.45Å; G509-V513 VanDerWaalsContact O-N 3.12Å
510	L	35.6	Very low	34.7	Very low	87 Å²	87	94.4 Å²	94.4	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-43.8	176.5	-152.9	78.9	0	0	0	110.4	F505 Q506 P507 K508 A512 V513 I514	F505-L510 HydrophobicContact CD1-CB 3.85Å; F505-L510 HydrophobicContact CD1-CD1 3.56Å; F505-L510 HydrophobicContact CD1-CG 4.33Å; F505-L510 HydrophobicContact CE1-CB 4.29Å; F505-L510 HydrophobicContact CE1-CD1 4.04Å; F505-L510 VanDerWaalsContact CE1-N 3.31Å; F505-L510 HydrophobicContact CG-CD1 4.31Å; Q506-L510 PolarHBondContact O-N 3.37Å; P507-L510 WeakPolarHBondContact O-CB 3.48Å; P507-L510 PolarHBondContact O-N 3.16Å; K508-L510 VanDerWaalsContact C-N 3.32Å; L510-A512 PolarHBondContact O-N 2.93Å; L510-V513 PolarHBondContact O-N 2.99Å; L510-I514 HydrophobicContact CB-CD1 4.27Å; L510-I514 HydrophobicContact CD2-CD1 3.8Å; L510-I514 HydrophobicContact CG-CD1 3.67Å; L510-I514 HydrophobicContact CG-CG1 4.31Å; L510-I514 VanDerWaalsContact O-CB 3.23Å; L510-I514 WeakPolarHBondContact O-CB 3.42Å; L510-I514 WeakPolarHBondContact O-CD1 3.46Å; L510-I514 WeakPolarHBondContact O-CG1 3.36Å; L510-I514 PolarHBondContact O-N 3.22Å
511	L	35.1	Very low	34.9	Very low	91 Å²	91	95.6 Å²	95.6	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-58.1	-42.1	174.9	-82	159.6	0	0	0	113	P507 V513 I514 E515	P507-L511 PolarHBondContact O-N 3.27Å; L511-V513 PolarHBondContact O-N 3.38Å; L511-I514 PolarHBondContact O-N 3.07Å; L511-E515 WeakPolarHBondContact O-CB 3.43Å; L511-E515 WeakPolarHBondContact O-CG 3.43Å; L511-E515 PolarHBondContact O-N 3.05Å
512	A	36.5	Very low	35.2	Very low	54 Å²	54	94.5 Å²	94.5	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-69.5	-30.8	177.6	0	0	0	0	0	113.4	K508 G509 L510 K516	K508-A512 PolarHBondContact O-N 3.29Å; G509-A512 PolarHBondContact O-N 3.47Å; L510-A512 PolarHBondContact O-N 2.93Å; A512-K516 PolarHBondContact O-N 3.5Å
513	V	36.8	Very low	35.3	Very low	63 Å²	63	94 Å²	94	38%	0.382	51%	0.505	S	S	.	.	H	α-helix	trans	-77.6	-37.1	173.5	175.4	0	0	0	0	111.1	F505 G509 L510 L511 K516 Q517	F505-V513 HydrophobicContact CE1-CG2 4.09Å; F505-V513 HydrophobicContact CZ-CG2 4.01Å; G509-V513 WeakPolarHBondContact O-CG2 3.47Å; G509-V513 PolarHBondContact O-N 3.45Å; G509-V513 VanDerWaalsContact O-N 3.12Å; L510-V513 PolarHBondContact O-N 2.99Å; L511-V513 PolarHBondContact O-N 3.38Å; V513-K516 PolarHBondContact O-N 2.84Å; V513-Q517 WeakPolarHBondContact O-CB 3.5Å; V513-Q517 WeakPolarHBondContact O-CG 3.19Å; V513-Q517 PolarHBondContact O-N 2.97Å
514	I	36.4	Very low	35.4	Very low	48 Å²	48	97.1 Å²	97.1	25%	0.246	52%	0.523	C	S	.	.	H	α-helix	trans	-66.6	-39.8	174.5	-71.5	164.8	0	0	0	110.8	L510 L511 Q517 R518	L510-I514 HydrophobicContact CB-CD1 4.27Å; L510-I514 HydrophobicContact CD2-CD1 3.8Å; L510-I514 HydrophobicContact CG-CD1 3.67Å; L510-I514 HydrophobicContact CG-CG1 4.31Å; L510-I514 VanDerWaalsContact O-CB 3.23Å; L510-I514 WeakPolarHBondContact O-CB 3.42Å; L510-I514 WeakPolarHBondContact O-CD1 3.46Å; L510-I514 WeakPolarHBondContact O-CG1 3.36Å; L510-I514 PolarHBondContact O-N 3.22Å; L511-I514 PolarHBondContact O-N 3.07Å; I514-Q517 PolarHBondContact O-N 3.36Å; I514-R518 HydrophobicContact CG2-CG 4.48Å; I514-R518 VanDerWaalsContact O-CB 3.27Å; I514-R518 WeakPolarHBondContact O-CB 3.46Å; I514-R518 WeakPolarHBondContact O-CG 3.35Å; I514-R518 PolarHBondContact O-N 3.47Å
515	E	39.3	Very low	35.3	Very low	122 Å²	122	106.4 Å²	106.4	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-66.6	-38.2	175	-81.1	178	168.1	0	0	112.2	L511 Q517	L511-E515 WeakPolarHBondContact O-CB 3.43Å; L511-E515 WeakPolarHBondContact O-CG 3.43Å; L511-E515 PolarHBondContact O-N 3.05Å; E515-Q517 VanDerWaalsContact C-N 3.33Å; E515-Q517 PolarHBondContact O-N 3.49Å
516	K	44.5	Very low	35.1	Very low	190 Å²	190	109.2 Å²	109.2	83%	0.826	56%	0.56	S	S	*	*	H	α-helix	trans	-68.9	-27.9	173.5	-100.2	-176.5	173.8	-178.9	0	113.6	A512 V513	A512-K516 PolarHBondContact O-N 3.5Å; V513-K516 PolarHBondContact O-N 2.84Å
517	Q	41	Very low	34.7	Very low	104 Å²	104	107.5 Å²	107.5	49%	0.486	56%	0.559	S	S	.	*	H	α-helix	trans	-98.6	-12.3	-178.3	-72	-173.3	-13	0	0	114.2	V513 I514 E515 N519 S520	V513-Q517 WeakPolarHBondContact O-CB 3.5Å; V513-Q517 WeakPolarHBondContact O-CG 3.19Å; V513-Q517 PolarHBondContact O-N 2.97Å; I514-Q517 PolarHBondContact O-N 3.36Å; E515-Q517 VanDerWaalsContact C-N 3.33Å; E515-Q517 PolarHBondContact O-N 3.49Å; Q517-N519 PolarHBondContact O-N 3.01Å; Q517-N519 VanDerWaalsContact O-N 3.12Å; Q517-S520 PolarHBondContact O-N 3.35Å; Q517-S520 PolarHBondContact O-OG 3.1Å
518	R	33.1	Very low	34.2	Very low	161 Å²	161	109 Å²	109	61%	0.608	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-22	177.6	-112.6	179.8	174.9	172.7	-1.6	114.2	I514	I514-R518 HydrophobicContact CG2-CG 4.48Å; I514-R518 VanDerWaalsContact O-CB 3.27Å; I514-R518 WeakPolarHBondContact O-CB 3.46Å; I514-R518 WeakPolarHBondContact O-CG 3.35Å; I514-R518 PolarHBondContact O-N 3.47Å
519	N	39.1	Very low	33.8	Very low	156 Å²	156	113.2 Å²	113.2	83%	0.834	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	4.7	179.2	-65.7	-12.4	0	0	0	113.6	Q517	Q517-N519 PolarHBondContact O-N 3.01Å; Q517-N519 VanDerWaalsContact O-N 3.12Å
520	S	37.8	Very low	33.4	Very low	56 Å²	56	119.5 Å²	119.5	39%	0.392	62%	0.621	S	S	.	*	S	Bend	trans	-88.7	135	175.4	73.9	0	0	0	0	111.3	Q517 G522 F523	Q517-S520 PolarHBondContact O-N 3.35Å; Q517-S520 PolarHBondContact O-OG 3.1Å; S520-G522 PolarHBondContact O-N 3.01Å; S520-F523 PolarHBondContact O-N 3.07Å
521	S	32.6	Very low	33.1	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-16.6	179.4	51.9	0	0	0	0	113.9
522	G	33.2	Very low	32.7	Very low	56 Å²	56	129.7 Å²	129.7	58%	0.577	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-12.7	175.3	0	0	0	0	0	115.5	S520	S520-G522 PolarHBondContact O-N 3.01Å
523	F	30.8	Very low	32.3	Very low	73 Å²	73	132.3 Å²	132.3	32%	0.32	68%	0.676	S	S	.	*	S	Bend	trans	-94.3	-14.8	-173.6	-146.2	-93.6	0	0	0	114	S520 R525 V527	S520-F523 PolarHBondContact O-N 3.07Å; F523-R525 PolarHBondContact O-N 3.07Å; F523-V527 HydrophobicContact CE1-CG2 4.46Å
524	Q	28.7	Very low	31.7	Very low	177 Å²	177	138.5 Å²	138.5	83%	0.827	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-5.4	-178.6	-78.4	-176.6	-21.1	0	0	114.8
525	R	27.8	Very low	31.3	Very low	231 Å²	231	143.3 Å²	143.3	87%	0.872	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-3.6	-177.2	-111.9	179.4	-174.1	171.7	1.9	115.8	F523	F523-R525 PolarHBondContact O-N 3.07Å
526	F	28.5	Very low	30.8	Very low	180 Å²	180	146.7 Å²	146.7	79%	0.789	74%	0.74	S	S	*	*	S	Bend	trans	-125.3	8.2	-167.1	-74.9	-79.2	0	0	0	116.2
527	V	26.3	Very low	30	Very low	106 Å²	106	142.8 Å²	142.8	64%	0.642	74%	0.736	S	S	*	*			trans	-133.1	78.2	178.2	-170.2	0	0	0	0	110.6	F523 M529	F523-V527 HydrophobicContact CE1-CG2 4.46Å; V527-M529 HydrophobicContact CG1-CB 4.48Å
528	S	23.1	Very low	29.3	Very low	118 Å²	118	145.4 Å²	145.4	83%	0.825	75%	0.753	S	S	*	*			trans	-95.6	82.3	152.1	57.1	0	0	0	0	107.4
529	M	27.2	Very low	29.1	Very low	157 Å²	157	143.6 Å²	143.6	77%	0.773	76%	0.76	S	S	*	*			trans	-106.8	109	161	-82.4	-94	-83.5	0	0	105.1	V527 K531	V527-M529 HydrophobicContact CG1-CB 4.48Å; M529-K531 PolarHBondContact O-N 2.86Å
530	D	28.6	Very low	28.5	Very low	161 Å²	161	143.6 Å²	143.6	86%	0.861	76%	0.76	S	S	*	*			trans	-48.8	128	178.9	-74.7	-48.9	0	0	0	110.9	E532	D530-E532 PolarHBondContact O-N 2.78Å
531	K	27.9	Very low	28	Very low	209 Å²	209	147.2 Å²	147.2	91%	0.909	78%	0.775	S	S	*	*			trans	-72.3	100.7	168.6	-78.1	175.5	172.8	176.1	0	107.6	M529	M529-K531 PolarHBondContact O-N 2.86Å
532	E	27.5	Very low	27.7	Very low	184 Å²	184	148.1 Å²	148.1	86%	0.86	78%	0.776	S	S	*	*			trans	-117.3	123.1	154.6	-84.8	-172.4	162.6	0	0	110.9	D530	D530-E532 PolarHBondContact O-N 2.78Å
533	S	27.5	Very low	27.4	Very low	109 Å²	109	150 Å²	150	76%	0.762	78%	0.78	S	S	*	*			trans	-57.5	126.3	-176	41.1	0	0	0	0	113.1	N535	S533-N535 PolarHBondContact O-N 2.99Å
534	F	24.9	Very low	27	Very low	193 Å²	193	153.4 Å²	153.4	85%	0.846	81%	0.807	S	S	*	*			trans	-60.1	111	158.7	-113	-102.2	0	0	0	109.4
535	N	28.8	Very low	26.9	Very low	149 Å²	149	152 Å²	152	80%	0.797	80%	0.804	S	S	*	*			trans	-120.5	124.7	152	-97.1	-12.9	0	0	0	108.3	S533 S537	S533-N535 PolarHBondContact O-N 2.99Å; N535-S537 PolarHBondContact O-N 2.67Å
536	Q	29	Very low	26.7	Very low	193 Å²	193	145.9 Å²	145.9	90%	0.902	80%	0.796	S	S	*	*			trans	-58.5	127.2	169.9	-71.6	166.7	-49.6	0	0	109.5
537	S	25.9	Very low	26.6	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	80%	0.797	S	S	*	*			trans	-157	128.6	151.8	58.2	0	0	0	0	110.9	N535	N535-S537 PolarHBondContact O-N 2.67Å
538	D	26.7	Very low	26.6	Very low	159 Å²	159	143.4 Å²	143.4	85%	0.85	80%	0.803	S	S	*	*			trans	-28.7	127.4	169.9	-59.8	-61	0	0	0	116.1
539	V	29.1	Very low	26.8	Very low	123 Å²	123	143.7 Å²	143.7	75%	0.745	81%	0.805	S	S	*	*			trans	-144.3	91.3	148.5	-171.8	0	0	0	0	109.2	N541	V539-N541 HydrophobicContact CG1-CB 4.13Å; V539-N541 PolarHBondContact O-N 3.38Å
540	N	27.5	Very low	26.8	Very low	156 Å²	156	141.4 Å²	141.4	83%	0.834	81%	0.805	S	S	*	*			trans	-52.4	118.3	142.4	-82.7	-31.7	0	0	0	107
541	N	27	Very low	27.3	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	80%	0.797	S	S	*	*			trans	-167.4	112.2	147.7	-92.1	-24.1	0	0	0	111.6	V539 S543	V539-N541 HydrophobicContact CG1-CB 4.13Å; V539-N541 PolarHBondContact O-N 3.38Å; N541-S543 PolarHBondContact O-N 3.02Å
542	T	26.1	Very low	27.9	Very low	138 Å²	138	131.3 Å²	131.3	85%	0.847	77%	0.768	S	S	*	*			trans	-19.6	109.3	146.6	43.9	0	0	0	0	114.3
543	S	26	Very low	28.3	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	75%	0.751	S	S	*	*			trans	-142.3	107	151.2	50	0	0	0	0	109.2	N541 I545	N541-S543 PolarHBondContact O-N 3.02Å; S543-I545 PolarHBondContact O-N 2.87Å
544	T	23.7	Very low	28.8	Very low	144 Å²	144	123 Å²	123	88%	0.883	73%	0.726	S	S	*	*			trans	-60.5	96.7	168.2	36.3	0	0	0	0	109.7
545	I	26.3	Very low	29.3	Very low	148 Å²	148	121.1 Å²	121.1	76%	0.759	72%	0.717	S	S	*	*			trans	-99.5	102.6	165.8	-59.1	176.5	0	0	0	107.4	S543	S543-I545 PolarHBondContact O-N 2.87Å
546	S	23.2	Very low	29.5	Very low	101 Å²	101	116.1 Å²	116.1	71%	0.706	69%	0.69	S	S	*	*			trans	-53.9	125.7	170	-33.7	0	0	0	0	109.5	S548	S546-S548 PolarHBondContact O-N 3.1Å
547	P	26.3	Very low	29.9	Very low	123 Å²	123	110.2 Å²	110.2	80%	0.799	68%	0.681	S	S	*	*			trans	-69.9	106.2	176.2	27.6	-30	0	0	0	108.3	S549	P547-S549 PolarHBondContact O-N 3.07Å
548	S	26	Very low	30.2	Very low	112 Å²	112	110.5 Å²	110.5	78%	0.783	68%	0.683	S	S	*	*			trans	-57.9	132.6	173.1	51.2	0	0	0	0	109.9	S546	S546-S548 PolarHBondContact O-N 3.1Å
549	S	27.4	Very low	30.3	Very low	124 Å²	124	107.4 Å²	107.4	87%	0.867	66%	0.663	S	S	*	*			trans	-105.7	27.4	-147.6	46.7	0	0	0	0	114.6	P547	P547-S549 PolarHBondContact O-N 3.07Å
550	S	28.4	Very low	30.6	Very low	109 Å²	109	109.6 Å²	109.6	76%	0.762	66%	0.663	S	S	*	*			trans	-118.2	-4	-157.3	58.4	0	0	0	0	119.8
551	S	38	Very low	30.9	Very low	99 Å²	99	103.5 Å²	103.5	69%	0.692	63%	0.63	S	S	*	*	S	Bend	trans	-119.1	-7.2	-167.8	61.2	0	0	0	0	119.2
552	N	40.4	Very low	31.2	Very low	58 Å²	58	101.3 Å²	101.3	31%	0.31	62%	0.617	S	S	.	*	S	Bend	trans	-108	13.6	-166.4	-71.8	-23.2	0	0	0	116.3	G391 L562 V563	G391-N552 WeakPolarHBondContact CA-OD1 3.23Å; N552-L562 HydrophobicContact CB-CD2 4.1Å; N552-L562 WeakPolarHBondContact O-CA 3.44Å; N552-L562 WeakPolarHBondContact O-CG 3.45Å; N552-V563 PolarHBondContact O-N 2.82Å
553	T	37	Very low	31.6	Very low	81 Å²	81	95.9 Å²	95.9	50%	0.497	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	122	179.9	59.3	0	0	0	0	112.6	M561 L562	T553-M561 CarbonylContact C-O 3.5Å; T553-M561 WeakPolarHBondContact CA-O 3.27Å; T553-L562 HydrophobicContact CG2-CG 4.35Å
554	V	37.7	Very low	32.1	Very low	39 Å²	39	91.7 Å²	91.7	24%	0.236	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.1	135.6	168.7	178	0	0	0	0	108.8	I556 M561 V563	V554-I556 HydrophobicContact CG1-CG1 4.22Å; V554-M561 PolarHBondContact N-O 3.16Å; V554-M561 PolarHBondContact O-N 3.04Å; V554-V563 HydrophobicContact CB-CG2 3.82Å; V554-V563 HydrophobicContact CG2-CB 4.32Å; V554-V563 HydrophobicContact CG2-CG2 3.41Å; V554-V563 VanDerWaalsContact CG2-CG2 3.41Å
555	K	35.1	Very low	32.6	Very low	153 Å²	153	88.5 Å²	88.5	67%	0.665	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.4	177	-158	-179.6	-179	-177.2	0	108.8	Q559	K555-Q559 WeakPolarHBondContact CA-O 3.4Å
556	I	33.5	Very low	33.1	Very low	43 Å²	43	82 Å²	82	22%	0.221	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104	175	-56.4	-170.2	0	0	0	107.3	I370 V554 S558 Q559 M561	I370-I556 HydrophobicContact CD1-CD1 3.74Å; I370-I556 HydrophobicContact CG1-CD1 4.39Å; I370-I556 HydrophobicContact CG2-CD1 3.77Å; V554-I556 HydrophobicContact CG1-CG1 4.22Å; I556-S558 PolarHBondContact O-N 3.4Å; I556-Q559 PolarHBondContact N-O 3.42Å; I556-Q559 PolarHBondContact O-N 3.44Å; I556-M561 HydrophobicContact CB-CE 4.25Å; I556-M561 HydrophobicContact CB-CG 4.31Å; I556-M561 HydrophobicContact CB-SD 3.92Å; I556-M561 HydrophobicContact CD1-CG 4.46Å; I556-M561 HydrophobicContact CD1-SD 3.68Å; I556-M561 HydrophobicContact CG1-CG 4.37Å; I556-M561 HydrophobicContact CG1-SD 4.06Å; I556-M561 HydrophobicContact CG2-SD 4.48Å
557	G	37	Very low	33.8	Very low	69 Å²	69	79 Å²	79	71%	0.711	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-125.3	-169.3	0	0	0	0	0	111.9
558	S	31.5	Very low	34.2	Very low	113 Å²	113	75.1 Å²	75.1	79%	0.79	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-11	175.9	53.9	0	0	0	0	113.8	I556	I556-S558 PolarHBondContact O-N 3.4Å
559	Q	29.3	Very low	34.9	Very low	94 Å²	94	75.9 Å²	75.9	44%	0.439	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.8	-172.1	-67.6	-179.8	-19.1	0	0	111.5	K555 I556 M561	K555-Q559 WeakPolarHBondContact CA-O 3.4Å; I556-Q559 PolarHBondContact N-O 3.42Å; I556-Q559 PolarHBondContact O-N 3.44Å; Q559-M561 HydrophobicContact CB-CE 4.23Å
560	K	36.4	Very low	35.6	Very low	170 Å²	170	74.2 Å²	74.2	74%	0.739	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.4	165.5	-73.9	-175.9	177.5	-178.3	0	108.3
561	M	33	Very low	36.2	Very low	28 Å²	28	71.2 Å²	71.2	14%	0.138	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148	178.8	-62	-162.6	175.2	0	0	110.5	I370 T553 V554 I556 Q559	I370-M561 HydrophobicContact CG2-CB 4.01Å; I370-M561 HydrophobicContact CG2-CG 4.33Å; I370-M561 HydrophobicContact CG2-SD 3.33Å; I370-M561 WeakPolarHBondContact CG2-SD 3.17Å; T553-M561 CarbonylContact C-O 3.5Å; T553-M561 WeakPolarHBondContact CA-O 3.27Å; V554-M561 PolarHBondContact N-O 3.16Å; V554-M561 PolarHBondContact O-N 3.04Å; I556-M561 HydrophobicContact CB-CE 4.25Å; I556-M561 HydrophobicContact CB-CG 4.31Å; I556-M561 HydrophobicContact CB-SD 3.92Å; I556-M561 HydrophobicContact CD1-CG 4.46Å; I556-M561 HydrophobicContact CD1-SD 3.68Å; I556-M561 HydrophobicContact CG1-CG 4.37Å; I556-M561 HydrophobicContact CG1-SD 4.06Å; I556-M561 HydrophobicContact CG2-SD 4.48Å; Q559-M561 HydrophobicContact CB-CE 4.23Å
562	L	34.2	Very low	36.4	Very low	85 Å²	85	71.4 Å²	71.4	45%	0.445	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	138	174.3	-92.5	118.1	0	0	0	111.3	A371 N552 T553 L564	A371-L562 PolarHBondContact N-O 3.34Å; N552-L562 HydrophobicContact CB-CD2 4.1Å; N552-L562 WeakPolarHBondContact O-CA 3.44Å; N552-L562 WeakPolarHBondContact O-CG 3.45Å; T553-L562 HydrophobicContact CG2-CG 4.35Å; L562-L564 HydrophobicContact CB-CD1 4.17Å; L562-L564 HydrophobicContact CB-CD2 4.41Å; L562-L564 HydrophobicContact CD2-CD2 4.29Å
563	V	33.9	Very low	36.6	Very low	24 Å²	24	71.5 Å²	71.5	15%	0.145	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.4	178.8	177.8	0	0	0	0	111.6	I370 N552 V554	I370-V563 HydrophobicContact CG1-CG2 4.47Å; N552-V563 PolarHBondContact O-N 2.82Å; V554-V563 HydrophobicContact CB-CG2 3.82Å; V554-V563 HydrophobicContact CG2-CB 4.32Å; V554-V563 HydrophobicContact CG2-CG2 3.41Å; V554-V563 VanDerWaalsContact CG2-CG2 3.41Å
564	L	35.2	Very low	37	Very low	8 Å²	8	70.3 Å²	70.3	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	116	-153.9	-61.5	162.1	0	0	0	111.8	S368 I369 A371 G391 R393 L562	S368-L564 WeakPolarHBondContact CA-O 3.34Å; I369-L564 PolarHBondContact N-O 3.19Å; A371-L564 HydrophobicContact CB-CD1 4.08Å; G391-L564 WeakPolarHBondContact O-CA 3.49Å; R393-L564 VanDerWaalsContact CA-CD1 3.5Å; R393-L564 HydrophobicContact CB-CD1 3.71Å; R393-L564 HydrophobicContact CB-CD2 4.19Å; R393-L564 HydrophobicContact CB-CG 4.34Å; R393-L564 HydrophobicContact CG-CD2 4.43Å; R393-L564 WeakPolarHBondContact O-CD1 3.2Å; L562-L564 HydrophobicContact CB-CD1 4.17Å; L562-L564 HydrophobicContact CB-CD2 4.41Å; L562-L564 HydrophobicContact CD2-CD2 4.29Å
565	E	35	Very low	37.5	Very low	78 Å²	78	73.1 Å²	73.1	36%	0.364	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136	-172.3	-52.6	-162.7	147.3	0	0	113.2	S368 G391 S392	S368-E565 WeakPolarHBondContact OG-CG 3.31Å; S368-E565 PolarHBondContact OG-OE1 3Å; G391-E565 PolarHBondContact O-N 3.44Å; S392-E565 WeakPolarHBondContact CB-O 3.33Å
566	A	36	Very low	38.5	Very low	11 Å²	11	70.2 Å²	70.2	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.3	173.2	0	0	0	0	0	112.7	I367 Y570 F571	I367-A566 PolarHBondContact N-O 3.3Å; I367-A566 PolarHBondContact O-N 3.05Å; A566-Y570 HydrophobicContact CB-CD1 4.24Å; A566-F571 HydrophobicContact CB-CE2 4.08Å; A566-F571 HydrophobicContact CB-CZ 4.28Å
567	P	38.1	Very low	39.6	Very low	38 Å²	38	74.4 Å²	74.4	25%	0.247	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	145.8	172.4	-22.2	33.2	0	0	0	113	L364 Y569 Y570	L364-P567 HydrophobicContact CD2-CB 4.32Å; P567-Y569 VanDerWaalsContact C-N 3.26Å; P567-Y569 HydrophobicContact CB-CD1 3.46Å; P567-Y569 VanDerWaalsContact CB-CD1 3.46Å; P567-Y569 HydrophobicContact CB-CE1 3.18Å; P567-Y569 HydrophobicContact CB-CG 4.39Å; P567-Y569 HydrophobicContact CG-CD1 4.42Å; P567-Y569 HydrophobicContact CG-CE1 3.67Å; P567-Y569 PolarHBondContact O-N 3.45Å; P567-Y569 VanDerWaalsContact O-N 3.13Å; P567-Y570 WeakPolarHBondContact O-CB 3.45Å; P567-Y570 PolarHBondContact O-N 3.35Å
568	A	36.2	Very low	40.3	Very low	41 Å²	41	73.8 Å²	73.8	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-53.3	-36.9	-178.9	0	0	0	0	0	114.4	Y570 F571	A568-Y570 PolarHBondContact O-N 3.15Å; A568-F571 PolarHBondContact O-N 3.37Å; A568-F571 VanDerWaalsContact O-N 3.16Å
569	Y	40	Very low	42	Very low	129 Å²	129	73 Å²	73	51%	0.506	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-25.4	179.1	74	-99.1	0	0	0	113.5	P567 F571 N572 T573	P567-Y569 VanDerWaalsContact C-N 3.26Å; P567-Y569 HydrophobicContact CB-CD1 3.46Å; P567-Y569 VanDerWaalsContact CB-CD1 3.46Å; P567-Y569 HydrophobicContact CB-CE1 3.18Å; P567-Y569 HydrophobicContact CB-CG 4.39Å; P567-Y569 HydrophobicContact CG-CD1 4.42Å; P567-Y569 HydrophobicContact CG-CE1 3.67Å; P567-Y569 PolarHBondContact O-N 3.45Å; P567-Y569 VanDerWaalsContact O-N 3.13Å; Y569-F571 VanDerWaalsContact C-N 3.31Å; Y569-F571 PolarHBondContact O-N 2.94Å; Y569-N572 PolarHBondContact O-N 2.78Å; Y569-T573 PolarHBondContact O-N 2.93Å; Y569-T573 VanDerWaalsContact O-N 3.1Å; Y569-T573 PolarHBondContact O-OG1 2.98Å
570	Y	41.6	Very low	44	Very low	88 Å²	88	71.4 Å²	71.4	35%	0.345	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-36.1	177.4	-165.9	-99.2	0	0	0	110.8	A566 P567 A568 T573 L574	A566-Y570 HydrophobicContact CB-CD1 4.24Å; P567-Y570 WeakPolarHBondContact O-CB 3.45Å; P567-Y570 PolarHBondContact O-N 3.35Å; A568-Y570 PolarHBondContact O-N 3.15Å; Y570-T573 WeakPolarHBondContact O-CB 3.42Å; Y570-T573 PolarHBondContact O-N 2.91Å; Y570-L574 HydrophobicContact CD1-CD1 3.68Å; Y570-L574 HydrophobicContact CD1-CG 4.02Å; Y570-L574 HydrophobicContact CE1-CD1 3.65Å; Y570-L574 HydrophobicContact CE1-CD2 4.16Å; Y570-L574 HydrophobicContact CE1-CG 3.91Å; Y570-L574 WeakPolarHBondContact O-CG 3.24Å; Y570-L574 PolarHBondContact O-N 2.96Å
571	F	41.1	Very low	45.8	Very low	46 Å²	46	71 Å²	71	20%	0.202	35%	0.354	C	S	.	.	H	α-helix	trans	-67.7	-38	175.4	-66.3	-81.5	0	0	0	112.8	I367 I369 V394 A566 A568 Y569 T573 L574 H575	I367-F571 HydrophobicContact CB-CE2 3.98Å; I367-F571 HydrophobicContact CB-CZ 4.32Å; I367-F571 HydrophobicContact CD1-CD2 4.2Å; I367-F571 HydrophobicContact CD1-CE2 4.03Å; I367-F571 HydrophobicContact CG1-CE2 4.43Å; I367-F571 HydrophobicContact CG2-CZ 4.44Å; I369-F571 HydrophobicContact CD1-CE1 3.74Å; I369-F571 HydrophobicContact CD1-CZ 3.74Å; V394-F571 HydrophobicContact CG1-CE1 4.4Å; V394-F571 HydrophobicContact CG2-CE1 4.27Å; A566-F571 HydrophobicContact CB-CE2 4.08Å; A566-F571 HydrophobicContact CB-CZ 4.28Å; A568-F571 PolarHBondContact O-N 3.37Å; A568-F571 VanDerWaalsContact O-N 3.16Å; Y569-F571 VanDerWaalsContact C-N 3.31Å; Y569-F571 PolarHBondContact O-N 2.94Å; F571-T573 VanDerWaalsContact C-N 3.31Å; F571-T573 PolarHBondContact O-N 2.81Å; F571-L574 PolarHBondContact O-N 3.45Å; F571-H575 WeakPolarHBondContact O-CB 3.43Å; F571-H575 PolarHBondContact O-N 3.37Å
572	N	42.2	Very low	47.9	Very low	103 Å²	103	73.3 Å²	73.3	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-63.6	-41.2	173.7	-165.5	15.8	0	0	0	110.8	Y569 H575 H576	Y569-N572 PolarHBondContact O-N 2.78Å; N572-H575 PolarHBondContact O-N 3.39Å; N572-H576 WeakPolarHBondContact O-CB 3.31Å; N572-H576 PolarHBondContact O-N 2.87Å
573	T	45	Very low	50.3	Low	60 Å²	60	69.6 Å²	69.6	37%	0.368	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-44	174.8	-54.3	0	0	0	0	111.8	Y569 Y570 F571 H576 K577	Y569-T573 PolarHBondContact O-N 2.93Å; Y569-T573 VanDerWaalsContact O-N 3.1Å; Y569-T573 PolarHBondContact O-OG1 2.98Å; Y570-T573 WeakPolarHBondContact O-CB 3.42Å; Y570-T573 PolarHBondContact O-N 2.91Å; F571-T573 VanDerWaalsContact C-N 3.31Å; F571-T573 PolarHBondContact O-N 2.81Å; T573-H576 PolarHBondContact O-N 3.03Å; T573-K577 HydrophobicContact CG2-CD 4.46Å; T573-K577 WeakPolarHBondContact O-CB 3.43Å; T573-K577 WeakPolarHBondContact O-CG 3.46Å; T573-K577 PolarHBondContact O-N 2.82Å
574	L	45.4	Very low	52.8	Low	57 Å²	57	72.2 Å²	72.2	30%	0.298	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-42.4	174.9	-74	174.6	0	0	0	111.9	Y570 F571 K577 A578	Y570-L574 HydrophobicContact CD1-CD1 3.68Å; Y570-L574 HydrophobicContact CD1-CG 4.02Å; Y570-L574 HydrophobicContact CE1-CD1 3.65Å; Y570-L574 HydrophobicContact CE1-CD2 4.16Å; Y570-L574 HydrophobicContact CE1-CG 3.91Å; Y570-L574 WeakPolarHBondContact O-CG 3.24Å; Y570-L574 PolarHBondContact O-N 2.96Å; F571-L574 PolarHBondContact O-N 3.45Å; L574-K577 PolarHBondContact O-N 2.8Å; L574-A578 WeakPolarHBondContact O-CB 3.32Å; L574-A578 PolarHBondContact O-N 2.61Å
575	H	47.9	Very low	55.3	Low	97 Å²	97	76.2 Å²	76.2	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-40.8	177.5	-172.1	68.9	0	0	0	111.8	F571 N572 A578 K579	F571-H575 WeakPolarHBondContact O-CB 3.43Å; F571-H575 PolarHBondContact O-N 3.37Å; N572-H575 PolarHBondContact O-N 3.39Å; H575-A578 PolarHBondContact O-N 2.94Å; H575-K579 PolarHBondContact CD2-NZ 3.32Å; H575-K579 WeakPolarHBondContact NE2-CE 3.41Å; H575-K579 PolarHBondContact NE2-NZ 2.71Å; H575-K579 WeakPolarHBondContact O-CG 3.42Å; H575-K579 PolarHBondContact O-N 2.82Å
576	H	55.1	Low	57.8	Low	92 Å²	92	72.5 Å²	72.5	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-65.7	-42.4	174.2	-162.4	-83.7	0	0	0	111.8	N572 T573 A578 K579 L580 M855	N572-H576 WeakPolarHBondContact O-CB 3.31Å; N572-H576 PolarHBondContact O-N 2.87Å; T573-H576 PolarHBondContact O-N 3.03Å; H576-A578 VanDerWaalsContact C-N 3.34Å; H576-A578 PolarHBondContact O-N 2.65Å; H576-K579 PolarHBondContact O-N 3.09Å; H576-L580 WeakPolarHBondContact O-CB 3.38Å; H576-L580 WeakPolarHBondContact O-CG 3.13Å; H576-L580 PolarHBondContact O-N 2.84Å; H576-M855 WeakPolarHBondContact CE1-CE 3.4Å; H576-M855 WeakPolarHBondContact NE2-CE 3.33Å
577	K	58.7	Low	60.4	Low	131 Å²	131	75.6 Å²	75.6	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-61	-40.2	172.4	-77.3	-179.7	178.3	-178.1	0	112	T573 L574 L580 K581	T573-K577 HydrophobicContact CG2-CD 4.46Å; T573-K577 WeakPolarHBondContact O-CB 3.43Å; T573-K577 WeakPolarHBondContact O-CG 3.46Å; T573-K577 PolarHBondContact O-N 2.82Å; L574-K577 PolarHBondContact O-N 2.8Å; K577-L580 PolarHBondContact O-N 2.88Å; K577-K581 WeakPolarHBondContact O-CB 3.4Å; K577-K581 PolarHBondContact O-N 3.49Å
578	A	51.2	Low	62.8	Low	56 Å²	56	77.5 Å²	77.5	46%	0.463	39%	0.393	S	S	.	.	H	α-helix	trans	-66.3	-42.9	176.4	0	0	0	0	0	112.1	L574 H575 H576 K581 H582	L574-A578 WeakPolarHBondContact O-CB 3.32Å; L574-A578 PolarHBondContact O-N 2.61Å; H575-A578 PolarHBondContact O-N 2.94Å; H576-A578 VanDerWaalsContact C-N 3.34Å; H576-A578 PolarHBondContact O-N 2.65Å; A578-K581 PolarHBondContact O-N 3.15Å; A578-H582 PolarHBondContact O-N 3.44Å
579	K	66	Low	65.4	Low	96 Å²	96	78.9 Å²	78.9	42%	0.417	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-45.5	173.4	-79.7	173.4	162.5	164.4	0	111.8	H575 H576 K581 H582 C583 M855	H575-K579 PolarHBondContact CD2-NZ 3.32Å; H575-K579 WeakPolarHBondContact NE2-CE 3.41Å; H575-K579 PolarHBondContact NE2-NZ 2.71Å; H575-K579 WeakPolarHBondContact O-CG 3.42Å; H575-K579 PolarHBondContact O-N 2.82Å; H576-K579 PolarHBondContact O-N 3.09Å; K579-K581 PolarHBondContact O-N 3.29Å; K579-H582 WeakPolarHBondContact O-CB 3.43Å; K579-H582 PolarHBondContact O-N 3.28Å; K579-C583 PolarHBondContact O-N 2.83Å; K579-C583 PolarHBondContact O-SG 2.92Å; K579-M855 HydrophobicContact CB-SD 3.92Å
580	L	72.5	Confident	67.8	Low	62 Å²	62	72.7 Å²	72.7	33%	0.325	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-46.6	173.7	-80.7	169.7	0	0	0	111.9	H576 K577 H582 C583 S584 M855 L859	H576-L580 WeakPolarHBondContact O-CB 3.38Å; H576-L580 WeakPolarHBondContact O-CG 3.13Å; H576-L580 PolarHBondContact O-N 2.84Å; K577-L580 PolarHBondContact O-N 2.88Å; L580-H582 VanDerWaalsContact C-N 3.28Å; L580-H582 PolarHBondContact O-N 2.99Å; L580-C583 PolarHBondContact O-N 2.81Å; L580-C583 VanDerWaalsContact O-N 3.14Å; L580-S584 PolarHBondContact O-N 3.31Å; L580-S584 PolarHBondContact O-OG 3.26Å; L580-S584 VanDerWaalsContact O-OG 3.11Å; L580-M855 HydrophobicContact CD1-CE 4.21Å; L580-M855 HydrophobicContact CD2-CE 3.2Å; L580-M855 HydrophobicContact CD2-SD 4.07Å; L580-M855 HydrophobicContact CG-CE 3.49Å; L580-M855 VanDerWaalsContact CG-CE 3.49Å; L580-M855 HydrophobicContact CG-SD 3.98Å; L580-L859 HydrophobicContact CD2-CD1 4.34Å
581	K	73.3	Confident	70.1	Confident	162 Å²	162	70.3 Å²	70.3	70%	0.704	36%	0.361	S	S	*	.	H	α-helix	trans	-58.3	-41	176.3	-174.4	177.9	-179.9	179.3	0	111.7	K577 A578 K579 S584 M585	K577-K581 WeakPolarHBondContact O-CB 3.4Å; K577-K581 PolarHBondContact O-N 3.49Å; A578-K581 PolarHBondContact O-N 3.15Å; K579-K581 PolarHBondContact O-N 3.29Å; K581-S584 PolarHBondContact O-N 2.69Å; K581-M585 WeakPolarHBondContact O-CB 3.39Å; K581-M585 PolarHBondContact O-N 3.31Å
582	H	77.9	Confident	72.3	Confident	75 Å²	75	75.2 Å²	75.2	35%	0.347	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-45.4	174.5	174.2	70.6	0	0	0	112	A578 K579 L580 S584 M585 L586 E846	A578-H582 PolarHBondContact O-N 3.44Å; K579-H582 WeakPolarHBondContact O-CB 3.43Å; K579-H582 PolarHBondContact O-N 3.28Å; L580-H582 VanDerWaalsContact C-N 3.28Å; L580-H582 PolarHBondContact O-N 2.99Å; H582-S584 VanDerWaalsContact C-N 3.34Å; H582-S584 PolarHBondContact O-N 3.15Å; H582-M585 WeakPolarHBondContact O-CB 3.47Å; H582-M585 PolarHBondContact O-N 2.97Å; H582-L586 PolarHBondContact O-N 2.96Å; H582-E846 IonicContact CE1-OE1 2.73Å; H582-E846 PolarHBondContact CE1-OE1 3.44Å; H582-E846 IonicContact ND1-OE1 3.24Å; H582-E846 IonicContact NE2-OE1 3.94Å
583	C	84.5	Confident	74.5	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.054	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-40.9	176.1	-52.6	0	0	0	0	112.1	K579 L580 L586 K587 C856 L859	K579-C583 PolarHBondContact O-N 2.83Å; K579-C583 PolarHBondContact O-SG 2.92Å; L580-C583 PolarHBondContact O-N 2.81Å; L580-C583 VanDerWaalsContact O-N 3.14Å; C583-L586 PolarHBondContact O-N 2.8Å; C583-K587 WeakPolarHBondContact O-CB 3.48Å; C583-K587 PolarHBondContact O-N 2.73Å; C583-C856 WeakPolarHBondContact CA-SG 3.17Å; C583-C856 HydrophobicContact CB-CB 3.94Å; C583-C856 WeakPolarHBondContact CB-SG 3.35Å; C583-C856 WeakPolarHBondContact SG-CA 3.19Å; C583-C856 WeakPolarHBondContact SG-CB 3.45Å; C583-C856 PolarHBondContact SG-N 3.34Å; C583-C856 VanDerWaalsContact SG-N 3.45Å; C583-C856 CovalentContact SG-SG 2.04Å; C583-C856 PolarHBondContact SG-SG 2.75Å; C583-L859 HydrophobicContact CB-CD1 4.3Å
584	S	86.4	Confident	76.6	Confident	78 Å²	78	67.7 Å²	67.7	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.6	-59	0	0	0	0	112.2	L580 K581 H582 K587 S588	L580-S584 PolarHBondContact O-N 3.31Å; L580-S584 PolarHBondContact O-OG 3.26Å; L580-S584 VanDerWaalsContact O-OG 3.11Å; K581-S584 PolarHBondContact O-N 2.69Å; H582-S584 VanDerWaalsContact C-N 3.34Å; H582-S584 PolarHBondContact O-N 3.15Å; S584-K587 PolarHBondContact O-N 2.83Å; S584-S588 WeakPolarHBondContact O-CB 3.1Å; S584-S588 PolarHBondContact O-N 3.47Å
585	M	86.5	Confident	78.6	Confident	92 Å²	92	69.3 Å²	69.3	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-45.3	174.4	-177.3	-174.3	66.8	0	0	111.2	K581 H582 K587 S588 K589	K581-M585 WeakPolarHBondContact O-CB 3.39Å; K581-M585 PolarHBondContact O-N 3.31Å; H582-M585 WeakPolarHBondContact O-CB 3.47Å; H582-M585 PolarHBondContact O-N 2.97Å; M585-K587 PolarHBondContact O-N 2.87Å; M585-S588 WeakPolarHBondContact O-CB 3.16Å; M585-S588 PolarHBondContact O-N 3.31Å; M585-K589 WeakPolarHBondContact O-CG 3.48Å; M585-K589 PolarHBondContact O-N 3.45Å
586	L	89	Confident	80.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-42.2	176.2	-178.4	61.9	0	0	0	111.8	H582 C583 S588 K589 L590 V843 E846 I847 M850 F860	H582-L586 PolarHBondContact O-N 2.96Å; C583-L586 PolarHBondContact O-N 2.8Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.01Å; L586-K589 PolarHBondContact O-N 3.03Å; L586-L590 PolarHBondContact O-N 3.44Å; L586-V843 HydrophobicContact CD1-CG1 4.12Å; L586-E846 HydrophobicContact CD1-CG 4.45Å; L586-I847 HydrophobicContact CD1-CD1 4.31Å; L586-I847 HydrophobicContact CD1-CG1 4.16Å; L586-I847 HydrophobicContact CD2-CG1 4.12Å; L586-M850 HydrophobicContact CD2-CE 3.33Å; L586-F860 HydrophobicContact CD2-CE2 3.88Å; L586-F860 HydrophobicContact CD2-CZ 4.39Å; L586-F860 HydrophobicContact CG-CE2 4.26Å; L586-F860 HydrophobicContact CG-CZ 4.3Å
587	K	90.8	Very high	81.8	Confident	76 Å²	76	63 Å²	63	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-44.9	173.3	-173.7	177.5	-178.7	175.3	0	110.9	C583 S584 M585 K589 L590 V591 D808 V811 Y812 F860	C583-K587 WeakPolarHBondContact O-CB 3.48Å; C583-K587 PolarHBondContact O-N 2.73Å; S584-K587 PolarHBondContact O-N 2.83Å; M585-K587 PolarHBondContact O-N 2.87Å; K587-K589 PolarHBondContact O-N 3.41Å; K587-L590 PolarHBondContact O-N 3.33Å; K587-V591 HydrophobicContact CG-CG2 4.46Å; K587-V591 VanDerWaalsContact O-CG2 3.3Å; K587-V591 WeakPolarHBondContact O-CG2 3.39Å; K587-V591 PolarHBondContact O-N 2.85Å; K587-D808 WeakPolarHBondContact CE-OD1 3.44Å; K587-D808 IonicContact NZ-OD1 2.77Å; K587-D808 PolarHBondContact NZ-OD1 3.35Å; K587-V811 HydrophobicContact CG-CG1 4.43Å; K587-Y812 PolarHBondContact NZ-OH 3.16Å; K587-F860 HydrophobicContact CB-CE1 4.41Å; K587-F860 HydrophobicContact CB-CZ 3.95Å
588	S	88.7	Confident	83.1	Confident	79 Å²	79	57.1 Å²	57.1	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-61.9	-41.4	177.6	-179.3	0	0	0	0	112.6	S584 M585 L586 L590 V591 K592	S584-S588 WeakPolarHBondContact O-CB 3.1Å; S584-S588 PolarHBondContact O-N 3.47Å; M585-S588 WeakPolarHBondContact O-CB 3.16Å; M585-S588 PolarHBondContact O-N 3.31Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.01Å; S588-L590 PolarHBondContact O-N 2.84Å; S588-V591 PolarHBondContact O-N 3.05Å; S588-K592 PolarHBondContact O-N 3.19Å
589	K	90.1	Very high	84.7	Confident	69 Å²	69	57.4 Å²	57.4	30%	0.3	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-47	172.5	-67.2	-175.4	-169.8	176	0	111.5	M585 L586 K587 V591 K592 L593 V843 E846	M585-K589 WeakPolarHBondContact O-CG 3.48Å; M585-K589 PolarHBondContact O-N 3.45Å; L586-K589 PolarHBondContact O-N 3.03Å; K587-K589 PolarHBondContact O-N 3.41Å; K589-V591 PolarHBondContact O-N 3.18Å; K589-K592 PolarHBondContact O-N 3.31Å; K589-L593 PolarHBondContact O-N 2.92Å; K589-V843 HydrophobicContact CB-CG2 4.18Å; K589-V843 HydrophobicContact CD-CG2 3.8Å; K589-E846 IonicContact NZ-OE2 3.02Å; K589-E846 PolarHBondContact NZ-OE2 3.47Å
590	L	90.8	Very high	85.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-40.8	177.4	-72	172.2	0	0	0	112.5	L586 K587 S588 L593 V594 V811 K814 F815 Y818 V843 I847 F860	L586-L590 PolarHBondContact O-N 3.44Å; K587-L590 PolarHBondContact O-N 3.33Å; S588-L590 PolarHBondContact O-N 2.84Å; L590-L593 PolarHBondContact O-N 2.83Å; L590-V594 WeakPolarHBondContact O-CB 3.35Å; L590-V594 WeakPolarHBondContact O-CG2 3.35Å; L590-V594 PolarHBondContact O-N 3.08Å; L590-V811 HydrophobicContact CB-CG1 3.81Å; L590-V811 HydrophobicContact CB-CG2 4.35Å; L590-V811 HydrophobicContact CD1-CG1 4.06Å; L590-K814 HydrophobicContact CD2-CB 4.43Å; L590-K814 HydrophobicContact CD2-CG 3.99Å; L590-F815 HydrophobicContact CD1-CB 4.39Å; L590-Y818 HydrophobicContact CD2-CD2 4.43Å; L590-V843 HydrophobicContact CD2-CG1 3.93Å; L590-V843 HydrophobicContact CG-CG1 4.45Å; L590-I847 HydrophobicContact CD1-CD1 3.99Å; L590-I847 HydrophobicContact CD2-CD1 3.83Å; L590-I847 HydrophobicContact CG-CD1 4.27Å; L590-F860 HydrophobicContact CD1-CE1 3.74Å; L590-F860 HydrophobicContact CD1-CZ 4.03Å
591	V	90	Very high	86.3	Confident	37 Å²	37	53.5 Å²	53.5	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-49.9	175	167.9	0	0	0	0	110.3	K587 S588 K589 L593 V594 Q595 I807 V811	K587-V591 HydrophobicContact CG-CG2 4.46Å; K587-V591 VanDerWaalsContact O-CG2 3.3Å; K587-V591 WeakPolarHBondContact O-CG2 3.39Å; K587-V591 PolarHBondContact O-N 2.85Å; S588-V591 PolarHBondContact O-N 3.05Å; K589-V591 PolarHBondContact O-N 3.18Å; V591-L593 VanDerWaalsContact C-N 3.3Å; V591-L593 PolarHBondContact O-N 3.23Å; V591-V594 PolarHBondContact O-N 3.46Å; V591-Q595 HydrophobicContact CG1-CG 4.4Å; V591-Q595 WeakPolarHBondContact O-CB 3.43Å; V591-Q595 VanDerWaalsContact O-CG 3.32Å; V591-Q595 WeakPolarHBondContact O-CG 3.46Å; V591-Q595 PolarHBondContact O-N 3.23Å; V591-I807 HydrophobicContact CG1-CG2 4.01Å; V591-I807 HydrophobicContact CG2-CG2 4.38Å; V591-V811 HydrophobicContact CB-CG2 4.28Å; V591-V811 HydrophobicContact CG2-CG2 3.63Å
592	K	87	Confident	86.9	Confident	150 Å²	150	45.9 Å²	45.9	65%	0.652	24%	0.238	S	C	*	.	H	α-helix	trans	-59.8	-42.2	178.9	-174.2	-179.9	179.7	-177.5	0	111.6	S588 K589 T596	S588-K592 PolarHBondContact O-N 3.19Å; K589-K592 PolarHBondContact O-N 3.31Å; K592-T596 WeakPolarHBondContact O-CB 3.5Å; K592-T596 PolarHBondContact O-N 3.3Å; K592-T596 PolarHBondContact O-OG1 3.11Å
593	L	88.8	Confident	87.4	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-46.6	178.3	-174.9	142.9	0	0	0	111.8	K589 L590 V591 Q595 T596 E597 K814 Y818 F838 E840	K589-L593 PolarHBondContact O-N 2.92Å; L590-L593 PolarHBondContact O-N 2.83Å; V591-L593 VanDerWaalsContact C-N 3.3Å; V591-L593 PolarHBondContact O-N 3.23Å; L593-Q595 PolarHBondContact O-N 3.11Å; L593-T596 WeakPolarHBondContact O-CB 3.47Å; L593-T596 PolarHBondContact O-N 3.42Å; L593-E597 HydrophobicContact CD2-CG 4.15Å; L593-E597 WeakPolarHBondContact CD2-OE1 3.16Å; L593-E597 WeakPolarHBondContact O-CG 3.07Å; L593-E597 PolarHBondContact O-N 2.85Å; L593-K814 HydrophobicContact CD2-CD 3.43Å; L593-K814 VanDerWaalsContact CD2-CD 3.43Å; L593-K814 HydrophobicContact CD2-CG 3.72Å; L593-Y818 HydrophobicContact CD1-CE2 4.3Å; L593-Y818 VanDerWaalsContact CD1-OH 3.24Å; L593-Y818 WeakPolarHBondContact CD1-OH 3.35Å; L593-F838 HydrophobicContact CD1-CD1 4.36Å; L593-E840 HydrophobicContact CD1-CB 3.54Å; L593-E840 VanDerWaalsContact CD1-OE2 3.3Å; L593-E840 WeakPolarHBondContact CD1-OE2 3.36Å
594	V	89	Confident	87.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-46.4	176.9	164.1	0	0	0	0	111.3	L590 V591 T596 E597 L598 Y764 A810 V811 K814	L590-V594 WeakPolarHBondContact O-CB 3.35Å; L590-V594 WeakPolarHBondContact O-CG2 3.35Å; L590-V594 PolarHBondContact O-N 3.08Å; V591-V594 PolarHBondContact O-N 3.46Å; V594-T596 VanDerWaalsContact C-N 3.29Å; V594-T596 PolarHBondContact O-N 2.83Å; V594-E597 PolarHBondContact O-N 3.04Å; V594-L598 VanDerWaalsContact O-CB 3.31Å; V594-L598 WeakPolarHBondContact O-CB 3.4Å; V594-L598 PolarHBondContact O-N 2.92Å; V594-Y764 HydrophobicContact CG1-CD2 4.17Å; V594-Y764 HydrophobicContact CG1-CE2 4.11Å; V594-Y764 HydrophobicContact CG2-CE2 4.4Å; V594-A810 HydrophobicContact CG1-CB 3.47Å; V594-A810 VanDerWaalsContact CG1-CB 3.47Å; V594-A810 HydrophobicContact CG2-CB 4.41Å; V594-V811 HydrophobicContact CB-CG2 4.46Å; V594-V811 HydrophobicContact CG2-CG2 4.1Å; V594-K814 HydrophobicContact CG2-CB 3.84Å; V594-K814 HydrophobicContact CG2-CG 4.25Å
595	Q	85.8	Confident	87.7	Confident	92 Å²	92	42.7 Å²	42.7	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-41.3	177.2	-73.8	174.6	-26.8	0	0	111.7	V591 L593 L598 L599 I807	V591-Q595 HydrophobicContact CG1-CG 4.4Å; V591-Q595 WeakPolarHBondContact O-CB 3.43Å; V591-Q595 VanDerWaalsContact O-CG 3.32Å; V591-Q595 WeakPolarHBondContact O-CG 3.46Å; V591-Q595 PolarHBondContact O-N 3.23Å; L593-Q595 PolarHBondContact O-N 3.11Å; Q595-L598 PolarHBondContact O-N 3.24Å; Q595-L599 WeakPolarHBondContact O-CB 3.34Å; Q595-L599 PolarHBondContact O-N 2.79Å; Q595-I807 HydrophobicContact CG-CD1 4.36Å
596	T	84.6	Confident	87.7	Confident	56 Å²	56	40.2 Å²	40.2	34%	0.344	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-48	177.3	-55.8	0	0	0	0	111.3	K592 L593 V594 L598 L599 M600	K592-T596 WeakPolarHBondContact O-CB 3.5Å; K592-T596 PolarHBondContact O-N 3.3Å; K592-T596 PolarHBondContact O-OG1 3.11Å; L593-T596 WeakPolarHBondContact O-CB 3.47Å; L593-T596 PolarHBondContact O-N 3.42Å; V594-T596 VanDerWaalsContact C-N 3.29Å; V594-T596 PolarHBondContact O-N 2.83Å; T596-L598 VanDerWaalsContact C-N 3.32Å; T596-L598 PolarHBondContact O-N 2.93Å; T596-L599 PolarHBondContact O-N 2.03Å; T596-M600 HydrophobicContact CG2-CG 4.41Å; T596-M600 WeakPolarHBondContact O-CB 3.26Å; T596-M600 VanDerWaalsContact O-CG 3.24Å; T596-M600 WeakPolarHBondContact O-CG 3.49Å; T596-M600 PolarHBondContact O-N 3.33Å
597	E	87.2	Confident	87.8	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-42.2	177.6	-77	-177.3	165.5	0	0	112.4	L593 V594 S601 I760 Y764 K814 S836	L593-E597 HydrophobicContact CD2-CG 4.15Å; L593-E597 WeakPolarHBondContact CD2-OE1 3.16Å; L593-E597 WeakPolarHBondContact O-CG 3.07Å; L593-E597 PolarHBondContact O-N 2.85Å; V594-E597 PolarHBondContact O-N 3.04Å; E597-S601 VanDerWaalsContact O-CB 3.31Å; E597-S601 WeakPolarHBondContact O-CB 3.41Å; E597-S601 PolarHBondContact O-N 2.96Å; E597-S601 PolarHBondContact O-OG 2.51Å; E597-I760 HydrophobicContact CB-CD1 4.38Å; E597-I760 HydrophobicContact CB-CG2 4.25Å; E597-Y764 HydrophobicContact CB-CE2 4.23Å; E597-Y764 WeakPolarHBondContact OE2-CE2 3.19Å; E597-Y764 PolarHBondContact OE2-OH 2.93Å; E597-K814 WeakPolarHBondContact OE1-CE 3.37Å; E597-K814 IonicContact OE1-NZ 2.88Å; E597-K814 PolarHBondContact OE1-NZ 3.5Å; E597-K814 IonicContact OE2-NZ 3.7Å; E597-S836 VanDerWaalsContact OE1-CB 3.28Å; E597-S836 WeakPolarHBondContact OE1-CB 3.24Å; E597-S836 PolarHBondContact OE1-OG 3.34Å
598	L	85.7	Confident	87.8	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-47.5	-179.9	-158.2	166.4	0	0	0	110.5	V594 Q595 T596 M600 S601 L602 L761 L765 F792	V594-L598 VanDerWaalsContact O-CB 3.31Å; V594-L598 WeakPolarHBondContact O-CB 3.4Å; V594-L598 PolarHBondContact O-N 2.92Å; Q595-L598 PolarHBondContact O-N 3.24Å; T596-L598 VanDerWaalsContact C-N 3.32Å; T596-L598 PolarHBondContact O-N 2.93Å; L598-M600 PolarHBondContact O-N 3.03Å; L598-S601 PolarHBondContact O-N 2.46Å; L598-L602 HydrophobicContact CD2-CD1 3.5Å; L598-L602 HydrophobicContact CD2-CG 3.97Å; L598-L602 WeakPolarHBondContact O-CG 3.47Å; L598-L602 PolarHBondContact O-N 2.8Å; L598-L761 HydrophobicContact CD2-CD2 4.07Å; L598-L761 HydrophobicContact CG-CD2 4.25Å; L598-L765 HydrophobicContact CD1-CD1 4.26Å; L598-L765 HydrophobicContact CD1-CD2 4.29Å; L598-L765 HydrophobicContact CD1-CG 4.21Å; L598-L765 HydrophobicContact CD2-CD1 4.12Å; L598-L765 HydrophobicContact CG-CD1 4.37Å; L598-F792 HydrophobicContact CD1-CE1 3.99Å; L598-F792 HydrophobicContact CD1-CZ 3.61Å; L598-F792 HydrophobicContact CD2-CD1 3.76Å; L598-F792 HydrophobicContact CD2-CE1 3.13Å; L598-F792 HydrophobicContact CD2-CE2 4.24Å; L598-F792 HydrophobicContact CD2-CZ 3.42Å; L598-F792 VanDerWaalsContact CD2-CZ 3.42Å; L598-F792 HydrophobicContact CG-CE1 4.15Å; L598-F792 HydrophobicContact CG-CZ 4.15Å
599	L	83.8	Confident	87.8	Confident	62 Å²	62	39.3 Å²	39.3	33%	0.325	19%	0.19	S	C	.	.	H	α-helix	trans	-59.5	-46	176.4	-178	64.1	0	0	0	112.1	Q595 T596 S601 L602 Q603	Q595-L599 WeakPolarHBondContact O-CB 3.34Å; Q595-L599 PolarHBondContact O-N 2.79Å; T596-L599 PolarHBondContact O-N 2.03Å; L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.34Å; L599-L602 PolarHBondContact O-N 3.39Å; L599-Q603 WeakPolarHBondContact O-CG 3.39Å; L599-Q603 PolarHBondContact O-N 3.36Å
600	M	84.3	Confident	87.8	Confident	75 Å²	75	40.3 Å²	40.3	37%	0.369	20%	0.195	S	C	.	.	H	α-helix	trans	-65.9	-34.8	179	-69.1	-59.8	-63.5	0	0	112.5	T596 L598 Q603 T604 I837	T596-M600 HydrophobicContact CG2-CG 4.41Å; T596-M600 WeakPolarHBondContact O-CB 3.26Å; T596-M600 VanDerWaalsContact O-CG 3.24Å; T596-M600 WeakPolarHBondContact O-CG 3.49Å; T596-M600 PolarHBondContact O-N 3.33Å; L598-M600 PolarHBondContact O-N 3.03Å; M600-Q603 PolarHBondContact SD-OE1 2.71Å; M600-T604 WeakPolarHBondContact O-CB 3.29Å; M600-T604 PolarHBondContact O-N 2.79Å; M600-T604 PolarHBondContact O-OG1 3.03Å; M600-I837 HydrophobicContact CB-CD1 4.43Å; M600-I837 HydrophobicContact CB-CG2 4.24Å
601	S	88.9	Confident	87.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-44.5	174.9	-58.8	0	0	0	0	111.1	E597 L598 L599 T604 L605 I760 I837	E597-S601 VanDerWaalsContact O-CB 3.31Å; E597-S601 WeakPolarHBondContact O-CB 3.41Å; E597-S601 PolarHBondContact O-N 2.96Å; E597-S601 PolarHBondContact O-OG 2.51Å; L598-S601 PolarHBondContact O-N 2.46Å; L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.34Å; S601-T604 WeakPolarHBondContact O-CB 3.25Å; S601-T604 PolarHBondContact O-N 3.32Å; S601-L605 PolarHBondContact O-N 2.87Å; S601-I760 WeakPolarHBondContact OG-CG2 3.49Å; S601-I837 VanDerWaalsContact OG-CD1 3.23Å; S601-I837 WeakPolarHBondContact OG-CD1 3.49Å
602	L	86	Confident	87.7	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-43	174.6	-71.3	173.6	0	0	0	112	L598 L599 T604 L605 D606 L761 L787 P789 F792	L598-L602 HydrophobicContact CD2-CD1 3.5Å; L598-L602 HydrophobicContact CD2-CG 3.97Å; L598-L602 WeakPolarHBondContact O-CG 3.47Å; L598-L602 PolarHBondContact O-N 2.8Å; L599-L602 PolarHBondContact O-N 3.39Å; L602-T604 VanDerWaalsContact C-N 3.25Å; L602-T604 PolarHBondContact O-N 3.23Å; L602-L605 PolarHBondContact O-N 3.19Å; L602-D606 WeakPolarHBondContact O-CB 3.48Å; L602-D606 PolarHBondContact O-N 2.87Å; L602-L761 HydrophobicContact CD2-CD1 4.19Å; L602-L761 HydrophobicContact CD2-CD2 3.84Å; L602-L761 HydrophobicContact CG-CD2 3.93Å; L602-L787 HydrophobicContact CD2-CD2 4.43Å; L602-P789 HydrophobicContact CB-CG 4.1Å; L602-F792 HydrophobicContact CD1-CB 3.69Å; L602-F792 HydrophobicContact CD1-CD1 3.37Å; L602-F792 HydrophobicContact CD1-CD2 4.43Å; L602-F792 HydrophobicContact CD1-CE1 4.11Å; L602-F792 HydrophobicContact CD1-CG 3.56Å
603	Q	87.6	Confident	87.7	Confident	73 Å²	73	37.9 Å²	37.9	34%	0.341	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-33.8	174.8	-74.2	177.8	-6.4	0	0	112.8	L599 M600 K607	L599-Q603 WeakPolarHBondContact O-CG 3.39Å; L599-Q603 PolarHBondContact O-N 3.36Å; M600-Q603 PolarHBondContact SD-OE1 2.71Å; Q603-K607 WeakPolarHBondContact O-CG 3.15Å; Q603-K607 PolarHBondContact O-N 3.22Å; Q603-K607 VanDerWaalsContact O-N 3.11Å
604	T	89.5	Confident	87.7	Confident	17 Å²	17	43.6 Å²	43.6	10%	0.104	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-41.8	175.9	-61.6	0	0	0	0	110.9	M600 S601 L602 Y608 P749 R753 L754 A757	M600-T604 WeakPolarHBondContact O-CB 3.29Å; M600-T604 PolarHBondContact O-N 2.79Å; M600-T604 PolarHBondContact O-OG1 3.03Å; S601-T604 WeakPolarHBondContact O-CB 3.25Å; S601-T604 PolarHBondContact O-N 3.32Å; L602-T604 VanDerWaalsContact C-N 3.25Å; L602-T604 PolarHBondContact O-N 3.23Å; T604-Y608 PolarHBondContact O-N 2.94Å; T604-P749 HydrophobicContact CG2-CB 4.07Å; T604-P749 HydrophobicContact CG2-CG 4.37Å; T604-P749 WeakPolarHBondContact O-CG 3.45Å; T604-R753 HydrophobicContact CG2-CB 4Å; T604-L754 HydrophobicContact CG2-CD2 4.23Å; T604-A757 HydrophobicContact CG2-CB 3.99Å
605	L	86.8	Confident	87.6	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-31.5	174.5	-69.7	-175.1	0	0	0	112.9	S601 L602 Y608 R609 L647 L754 L761 F781	S601-L605 PolarHBondContact O-N 2.87Å; L602-L605 PolarHBondContact O-N 3.19Å; L605-Y608 CarbonylContact O-C 3.51Å; L605-Y608 WeakPolarHBondContact O-CA 3.33Å; L605-Y608 VanDerWaalsContact O-CB 3.25Å; L605-Y608 WeakPolarHBondContact O-CB 3.17Å; L605-Y608 PolarHBondContact O-N 2.65Å; L605-R609 PolarHBondContact O-N 3.19Å; L605-L647 HydrophobicContact CD2-CD2 3.99Å; L605-L754 HydrophobicContact CD2-CD2 4.23Å; L605-L761 HydrophobicContact CD1-CD1 3.2Å; L605-L761 HydrophobicContact CG-CD1 4.02Å; L605-F781 HydrophobicContact CD1-CB 3.99Å; L605-F781 HydrophobicContact CD1-CD2 3.6Å; L605-F781 HydrophobicContact CD1-CE2 4.49Å; L605-F781 HydrophobicContact CD1-CG 4.16Å; L605-F781 WeakPolarHBondContact CD1-O 3.49Å
606	D	87.3	Confident	87.5	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.214	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-45.7	174	-174.1	60.9	0	0	0	111.2	L602 Y608 R609 Q610 P789	L602-D606 WeakPolarHBondContact O-CB 3.48Å; L602-D606 PolarHBondContact O-N 2.87Å; D606-Y608 PolarHBondContact O-N 2.78Å; D606-R609 WeakPolarHBondContact O-CB 3.36Å; D606-R609 PolarHBondContact O-N 3.2Å; D606-R609 VanDerWaalsContact O-N 3.08Å; D606-Q610 WeakPolarHBondContact O-CG 3.16Å; D606-Q610 PolarHBondContact O-N 2.91Å; D606-Q610 PolarHBondContact OD2-NE2 2.87Å; D606-P789 HydrophobicContact CB-CG 4.06Å
607	K	90.4	Very high	87.5	Confident	117 Å²	117	43.1 Å²	43.1	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-30.9	170.9	-71.8	174.8	-177.8	175.8	0	112.8	Q603 A611 P749	Q603-K607 WeakPolarHBondContact O-CG 3.15Å; Q603-K607 PolarHBondContact O-N 3.22Å; Q603-K607 VanDerWaalsContact O-N 3.11Å; K607-A611 WeakPolarHBondContact O-CB 3.46Å; K607-A611 PolarHBondContact O-N 2.96Å; K607-A611 VanDerWaalsContact O-N 3.11Å; K607-P749 HydrophobicContact CB-CG 3.72Å
608	Y	91	Very high	87.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-42.3	174.4	-176.2	-124.8	0	0	0	112.1	T604 L605 D606 A611 F612 L643 W646 F741 L754 L783	T604-Y608 PolarHBondContact O-N 2.94Å; L605-Y608 CarbonylContact O-C 3.51Å; L605-Y608 WeakPolarHBondContact O-CA 3.33Å; L605-Y608 VanDerWaalsContact O-CB 3.25Å; L605-Y608 WeakPolarHBondContact O-CB 3.17Å; L605-Y608 PolarHBondContact O-N 2.65Å; D606-Y608 PolarHBondContact O-N 2.78Å; Y608-A611 WeakPolarHBondContact O-CB 3.46Å; Y608-A611 PolarHBondContact O-N 3.35Å; Y608-F612 PolarHBondContact O-N 3.44Å; Y608-L643 WeakPolarHBondContact OH-CB 3.38Å; Y608-W646 HydrophobicContact CE2-CZ3 4.47Å; Y608-F741 AromaticContact CE2-CE2 3.98Å; Y608-F741 HydrophobicContact CE2-CE2 3.98Å; Y608-F741 HydrophobicContact CE2-CZ 4.03Å; Y608-L754 HydrophobicContact CD1-CD2 4.41Å; Y608-L754 HydrophobicContact CD2-CD1 4.04Å; Y608-L754 HydrophobicContact CD2-CD2 4.17Å; Y608-L754 HydrophobicContact CE2-CD1 4.2Å; Y608-L754 HydrophobicContact CG-CD1 4.49Å; Y608-L754 HydrophobicContact CG-CD2 3.87Å; Y608-L783 HydrophobicContact CD1-CD1 4.44Å; Y608-L783 HydrophobicContact CD1-CD2 3.57Å; Y608-L783 HydrophobicContact CD1-CG 4.07Å; Y608-L783 HydrophobicContact CE1-CD1 3.66Å; Y608-L783 HydrophobicContact CE1-CD2 3.65Å; Y608-L783 HydrophobicContact CE1-CG 3.65Å; Y608-L783 HydrophobicContact CG-CD2 4.39Å
609	R	88.5	Confident	86.8	Confident	18 Å²	18	46.9 Å²	46.9	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-43.3	172.4	-73.4	-179.2	-178.7	148.7	0.5	112	L605 D606 A611 F612 Q613 F781 G782 L783 G785 L787 E788	L605-R609 PolarHBondContact O-N 3.19Å; D606-R609 WeakPolarHBondContact O-CB 3.36Å; D606-R609 PolarHBondContact O-N 3.2Å; D606-R609 VanDerWaalsContact O-N 3.08Å; R609-A611 VanDerWaalsContact C-N 3.32Å; R609-A611 PolarHBondContact O-N 2.91Å; R609-F612 CarbonylContact O-C 3.49Å; R609-F612 WeakPolarHBondContact O-CA 3.35Å; R609-F612 WeakPolarHBondContact O-CB 3.36Å; R609-F612 PolarHBondContact O-N 3.04Å; R609-F612 VanDerWaalsContact O-N 3.1Å; R609-Q613 WeakPolarHBondContact O-CG 3.4Å; R609-Q613 PolarHBondContact O-N 3.22Å; R609-F781 PolarHBondContact NH2-O 3.4Å; R609-G782 PolarHBondContact NE-O 2.94Å; R609-G782 VanDerWaalsContact NE-O 3.15Å; R609-G782 PolarHBondContact NH2-O 3.32Å; R609-L783 HydrophobicContact CB-CD2 4.39Å; R609-L783 HydrophobicContact CG-CD2 3.72Å; R609-G785 PolarHBondContact NH2-O 3.03Å; R609-L787 VanDerWaalsContact NH1-C 3.32Å; R609-L787 PolarHBondContact NH1-O 3.02Å; R609-L787 PolarHBondContact NH2-O 3.25Å; R609-L787 VanDerWaalsContact NH2-O 3.1Å; R609-E788 VanDerWaalsContact NH1-CG 3.26Å
610	Q	89.8	Confident	86.4	Confident	89 Å²	89	49.3 Å²	49.3	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-40.8	174.1	-68.1	174.2	12.9	0	0	112	D606 F612 Q613 K614	D606-Q610 WeakPolarHBondContact O-CG 3.16Å; D606-Q610 PolarHBondContact O-N 2.91Å; D606-Q610 PolarHBondContact OD2-NE2 2.87Å; Q610-F612 VanDerWaalsContact C-N 3.33Å; Q610-Q613 PolarHBondContact O-N 3.25Å; Q610-K614 WeakPolarHBondContact O-CG 3.32Å; Q610-K614 PolarHBondContact O-N 3.4Å; Q610-K614 VanDerWaalsContact O-N 3.16Å
611	A	90.5	Very high	86.1	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-40.1	173.6	0	0	0	0	0	111.5	K607 Y608 R609 K614 F615 F741 I746 C748	K607-A611 WeakPolarHBondContact O-CB 3.46Å; K607-A611 PolarHBondContact O-N 2.96Å; K607-A611 VanDerWaalsContact O-N 3.11Å; Y608-A611 WeakPolarHBondContact O-CB 3.46Å; Y608-A611 PolarHBondContact O-N 3.35Å; R609-A611 VanDerWaalsContact C-N 3.32Å; R609-A611 PolarHBondContact O-N 2.91Å; A611-K614 PolarHBondContact O-N 2.84Å; A611-F615 PolarHBondContact O-N 3.15Å; A611-F741 HydrophobicContact CB-CD1 4.23Å; A611-F741 HydrophobicContact CB-CE1 4.11Å; A611-I746 HydrophobicContact CB-CG2 3.7Å; A611-C748 HydrophobicContact CB-CB 4.03Å
612	F	89.8	Confident	85.2	Confident	22 Å²	22	54.9 Å²	54.9	10%	0.096	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-42.1	175.6	-179.8	-110.3	0	0	0	112.6	Y608 R609 Q610 K614 F615 T616 V639 A640 L643 L783	Y608-F612 PolarHBondContact O-N 3.44Å; R609-F612 CarbonylContact O-C 3.49Å; R609-F612 WeakPolarHBondContact O-CA 3.35Å; R609-F612 WeakPolarHBondContact O-CB 3.36Å; R609-F612 PolarHBondContact O-N 3.04Å; R609-F612 VanDerWaalsContact O-N 3.1Å; Q610-F612 VanDerWaalsContact C-N 3.33Å; F612-K614 VanDerWaalsContact C-N 3.33Å; F612-K614 PolarHBondContact O-N 3.15Å; F612-F615 HydrophobicContact CD2-CD1 4.1Å; F612-F615 HydrophobicContact CE2-CD1 4.24Å; F612-F615 WeakPolarHBondContact O-CA 2.83Å; F612-F615 WeakPolarHBondContact O-CB 3.27Å; F612-F615 PolarHBondContact O-N 3.08Å; F612-F615 VanDerWaalsContact O-N 3.07Å; F612-T616 WeakPolarHBondContact CZ-OG1 3.46Å; F612-T616 WeakPolarHBondContact O-CB 3.46Å; F612-T616 PolarHBondContact O-N 3.26Å; F612-T616 PolarHBondContact O-OG1 2.48Å; F612-T616 VanDerWaalsContact O-OG1 3.07Å; F612-V639 HydrophobicContact CE2-CB 4.16Å; F612-V639 HydrophobicContact CE2-CG1 3.77Å; F612-V639 HydrophobicContact CZ-CB 4.42Å; F612-A640 HydrophobicContact CE1-CB 3.88Å; F612-A640 HydrophobicContact CE2-CB 4.4Å; F612-A640 HydrophobicContact CZ-CB 3.61Å; F612-L643 HydrophobicContact CD2-CD1 3.56Å; F612-L643 HydrophobicContact CE2-CD1 3.8Å; F612-L783 HydrophobicContact CB-CD1 4.21Å; F612-L783 HydrophobicContact CB-CD2 3.87Å; F612-L783 HydrophobicContact CD1-CD1 4.27Å; F612-L783 HydrophobicContact CD1-CD2 4.3Å; F612-L783 HydrophobicContact CD2-CD1 3.88Å; F612-L783 HydrophobicContact CE2-CD1 4.35Å; F612-L783 HydrophobicContact CG-CD1 3.84Å; F612-L783 HydrophobicContact CG-CD2 4.13Å
613	Q	87	Confident	84.3	Confident	113 Å²	113	55.8 Å²	55.8	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-57.5	-45.4	174.4	-74.1	171.3	-10.6	0	0	111.5	R609 Q610 F615 T616 L617	R609-Q613 WeakPolarHBondContact O-CG 3.4Å; R609-Q613 PolarHBondContact O-N 3.22Å; Q610-Q613 PolarHBondContact O-N 3.25Å; Q613-F615 VanDerWaalsContact C-N 3.3Å; Q613-F615 PolarHBondContact O-N 2.83Å; Q613-T616 PolarHBondContact O-N 2.93Å; Q613-L617 VanDerWaalsContact O-CG 3.32Å; Q613-L617 WeakPolarHBondContact O-CG 3.46Å; Q613-L617 PolarHBondContact O-N 2.68Å
614	K	88.7	Confident	83.1	Confident	123 Å²	123	58.6 Å²	58.6	54%	0.535	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-40.3	174.2	-70.6	178	-178.8	-177.7	0	112.2	Q610 A611 F612 L617 L618 I746	Q610-K614 WeakPolarHBondContact O-CG 3.32Å; Q610-K614 PolarHBondContact O-N 3.4Å; Q610-K614 VanDerWaalsContact O-N 3.16Å; A611-K614 PolarHBondContact O-N 2.84Å; F612-K614 VanDerWaalsContact C-N 3.33Å; F612-K614 PolarHBondContact O-N 3.15Å; K614-L617 PolarHBondContact O-N 3.3Å; K614-L618 WeakPolarHBondContact O-CG 3.4Å; K614-L618 PolarHBondContact O-N 3.1Å; K614-L618 VanDerWaalsContact O-N 3.15Å; K614-I746 HydrophobicContact CB-CD1 4.04Å; K614-I746 HydrophobicContact CB-CG1 4.25Å; K614-I746 HydrophobicContact CB-CG2 4.25Å; K614-I746 HydrophobicContact CD-CG2 4.4Å
615	F	86.9	Confident	81.8	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-46.8	177.6	174.8	-134.9	0	0	0	111.6	A611 F612 Q613 L617 L618 I619 V639 V717 L740 F741 L744 I746	A611-F615 PolarHBondContact O-N 3.15Å; F612-F615 HydrophobicContact CD2-CD1 4.1Å; F612-F615 HydrophobicContact CE2-CD1 4.24Å; F612-F615 WeakPolarHBondContact O-CA 2.83Å; F612-F615 WeakPolarHBondContact O-CB 3.27Å; F612-F615 PolarHBondContact O-N 3.08Å; F612-F615 VanDerWaalsContact O-N 3.07Å; Q613-F615 VanDerWaalsContact C-N 3.3Å; Q613-F615 PolarHBondContact O-N 2.83Å; F615-L617 VanDerWaalsContact C-N 3.3Å; F615-L617 PolarHBondContact O-N 3.28Å; F615-L618 WeakPolarHBondContact O-CB 3.25Å; F615-L618 PolarHBondContact O-N 2.78Å; F615-I619 HydrophobicContact CD1-CD1 4.3Å; F615-I619 HydrophobicContact CD2-CD1 4.38Å; F615-I619 HydrophobicContact CD2-CG1 4.31Å; F615-I619 HydrophobicContact CE1-CD1 3.96Å; F615-I619 HydrophobicContact CE2-CD1 4.01Å; F615-I619 HydrophobicContact CE2-CG1 4.02Å; F615-I619 HydrophobicContact CZ-CD1 3.78Å; F615-I619 HydrophobicContact CZ-CG1 4.29Å; F615-I619 WeakPolarHBondContact O-CG1 3.47Å; F615-I619 PolarHBondContact O-N 2.81Å; F615-V639 HydrophobicContact CD1-CG1 4.21Å; F615-V639 HydrophobicContact CE1-CG1 3.48Å; F615-V639 VanDerWaalsContact CE1-CG1 3.48Å; F615-V639 HydrophobicContact CZ-CG1 4.35Å; F615-V717 HydrophobicContact CE2-CG1 4.45Å; F615-V717 HydrophobicContact CE2-CG2 3.85Å; F615-V717 HydrophobicContact CZ-CG2 3.42Å; F615-V717 VanDerWaalsContact CZ-CG2 3.42Å; F615-L740 HydrophobicContact CZ-CD2 4.5Å; F615-F741 HydrophobicContact CB-CE1 4.08Å; F615-F741 HydrophobicContact CG-CE1 4.49Å; F615-L744 HydrophobicContact CD2-CD1 3.4Å; F615-L744 VanDerWaalsContact CD2-CD1 3.4Å; F615-L744 HydrophobicContact CE2-CD1 3.53Å; F615-L744 HydrophobicContact CG-CD1 4.34Å; F615-I746 HydrophobicContact CB-CD1 3.72Å
616	T	83.6	Confident	80.5	Confident	19 Å²	19	65.6 Å²	65.6	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-39.8	175.7	-61.6	0	0	0	0	112	F612 Q613 L618 I619 Y620	F612-T616 WeakPolarHBondContact CZ-OG1 3.46Å; F612-T616 WeakPolarHBondContact O-CB 3.46Å; F612-T616 PolarHBondContact O-N 3.26Å; F612-T616 PolarHBondContact O-OG1 2.48Å; F612-T616 VanDerWaalsContact O-OG1 3.07Å; Q613-T616 PolarHBondContact O-N 2.93Å; T616-L618 VanDerWaalsContact C-N 3.34Å; T616-L618 PolarHBondContact O-N 3.18Å; T616-I619 WeakPolarHBondContact O-CB 3.39Å; T616-I619 PolarHBondContact O-N 3.33Å; T616-Y620 HydrophobicContact CG2-CD2 3.7Å; T616-Y620 HydrophobicContact CG2-CE2 3.28Å; T616-Y620 WeakPolarHBondContact O-CD2 3.46Å; T616-Y620 PolarHBondContact O-N 2.68Å
617	L	83.5	Confident	78.9	Confident	118 Å²	118	72.4 Å²	72.4	62%	0.618	35%	0.347	S	S	*	.	H	α-helix	trans	-61.1	-38.9	172.8	-73.6	168.8	0	0	0	112.8	Q613 K614 F615 Y620 K621	Q613-L617 VanDerWaalsContact O-CG 3.32Å; Q613-L617 WeakPolarHBondContact O-CG 3.46Å; Q613-L617 PolarHBondContact O-N 2.68Å; K614-L617 PolarHBondContact O-N 3.3Å; F615-L617 VanDerWaalsContact C-N 3.3Å; F615-L617 PolarHBondContact O-N 3.28Å; L617-Y620 PolarHBondContact O-N 2.81Å; L617-K621 WeakPolarHBondContact O-CB 2.95Å; L617-K621 PolarHBondContact O-N 2.9Å
618	L	82.1	Confident	77.1	Confident	65 Å²	65	76.4 Å²	76.4	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-40.5	174.5	-69.4	174.5	0	0	0	111.8	K614 F615 T616 K621 H622 L744 I746	K614-L618 WeakPolarHBondContact O-CG 3.4Å; K614-L618 PolarHBondContact O-N 3.1Å; K614-L618 VanDerWaalsContact O-N 3.15Å; F615-L618 WeakPolarHBondContact O-CB 3.25Å; F615-L618 PolarHBondContact O-N 2.78Å; T616-L618 VanDerWaalsContact C-N 3.34Å; T616-L618 PolarHBondContact O-N 3.18Å; L618-K621 PolarHBondContact O-N 3.3Å; L618-H622 WeakPolarHBondContact O-CB 3.28Å; L618-H622 PolarHBondContact O-N 2.94Å; L618-L744 HydrophobicContact CD1-CB 4.34Å; L618-L744 HydrophobicContact CD1-CD2 3.8Å; L618-I746 HydrophobicContact CD1-CD1 3.85Å; L618-I746 HydrophobicContact CD1-CG1 4.36Å
619	I	77.1	Confident	75.2	Confident	22 Å²	22	80 Å²	80	11%	0.113	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-49.5	175.2	-60.2	172.9	0	0	0	110.1	F615 T616 K621 H622 S623 V639 I720	F615-I619 HydrophobicContact CD1-CD1 4.3Å; F615-I619 HydrophobicContact CD2-CD1 4.38Å; F615-I619 HydrophobicContact CD2-CG1 4.31Å; F615-I619 HydrophobicContact CE1-CD1 3.96Å; F615-I619 HydrophobicContact CE2-CD1 4.01Å; F615-I619 HydrophobicContact CE2-CG1 4.02Å; F615-I619 HydrophobicContact CZ-CD1 3.78Å; F615-I619 HydrophobicContact CZ-CG1 4.29Å; F615-I619 WeakPolarHBondContact O-CG1 3.47Å; F615-I619 PolarHBondContact O-N 2.81Å; T616-I619 WeakPolarHBondContact O-CB 3.39Å; T616-I619 PolarHBondContact O-N 3.33Å; I619-K621 PolarHBondContact O-N 3.11Å; I619-H622 PolarHBondContact O-N 3.32Å; I619-S623 PolarHBondContact O-N 3.34Å; I619-V639 HydrophobicContact CD1-CG2 4.22Å; I619-I720 HydrophobicContact CB-CD1 4.1Å; I619-I720 HydrophobicContact CG1-CD1 3.7Å; I619-I720 HydrophobicContact CG2-CD1 3.96Å
620	Y	75.5	Confident	73.3	Confident	114 Å²	114	85 Å²	85	45%	0.447	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-39.8	178.9	-74.8	-56.4	0	0	0	113.1	T616 L617 H622 S623 M624 S636	T616-Y620 HydrophobicContact CG2-CD2 3.7Å; T616-Y620 HydrophobicContact CG2-CE2 3.28Å; T616-Y620 WeakPolarHBondContact O-CD2 3.46Å; T616-Y620 PolarHBondContact O-N 2.68Å; L617-Y620 PolarHBondContact O-N 2.81Å; Y620-H622 VanDerWaalsContact C-N 3.32Å; Y620-H622 PolarHBondContact O-N 3.23Å; Y620-S623 WeakPolarHBondContact CA-OG 2.84Å; Y620-S623 PolarHBondContact O-N 2.9Å; Y620-S623 PolarHBondContact O-OG 3.3Å; Y620-M624 WeakPolarHBondContact O-CG 3.32Å; Y620-M624 PolarHBondContact O-N 2.96Å; Y620-S636 PolarHBondContact OH-OG 2.83Å
621	K	77.1	Confident	71.3	Confident	156 Å²	156	85.6 Å²	85.6	68%	0.678	41%	0.411	S	S	*	.	H	α-helix	trans	-64.1	-38.3	176.5	-171.9	176.8	180	179.6	0	111.8	L617 L618 I619 T625	L617-K621 WeakPolarHBondContact O-CB 2.95Å; L617-K621 PolarHBondContact O-N 2.9Å; L618-K621 PolarHBondContact O-N 3.3Å; I619-K621 PolarHBondContact O-N 3.11Å; K621-T625 PolarHBondContact O-N 3.45Å; K621-T625 PolarHBondContact O-OG1 2.8Å
622	H	71.5	Confident	69.2	Low	36 Å²	36	92.2 Å²	92.2	17%	0.167	45%	0.446	C	S	.	.	H	α-helix	trans	-70.5	-40.2	177.4	-167.5	81.9	0	0	0	112.1	L618 I619 Y620 M624 T625 N626 D719 I720	L618-H622 WeakPolarHBondContact O-CB 3.28Å; L618-H622 PolarHBondContact O-N 2.94Å; I619-H622 PolarHBondContact O-N 3.32Å; Y620-H622 VanDerWaalsContact C-N 3.32Å; Y620-H622 PolarHBondContact O-N 3.23Å; H622-M624 VanDerWaalsContact C-N 3.28Å; H622-M624 PolarHBondContact O-N 3.06Å; H622-T625 WeakPolarHBondContact CA-OG1 3.21Å; H622-T625 PolarHBondContact O-N 3.25Å; H622-T625 PolarHBondContact O-OG1 3.19Å; H622-N626 PolarHBondContact CE1-ND2 3.11Å; H622-N626 VanDerWaalsContact CE1-ND2 3.26Å; H622-N626 PolarHBondContact NE2-ND2 2.99Å; H622-N626 PolarHBondContact O-N 3.29Å; H622-D719 PolarHBondContact CE1-O 3.38Å; H622-D719 PolarHBondContact NE2-O 3.43Å; H622-D719 VanDerWaalsContact NE2-O 3.08Å; H622-I720 HydrophobicContact CB-CG1 4.35Å; H622-I720 HydrophobicContact CB-CG2 4.11Å
623	S	65.6	Low	67.2	Low	21 Å²	21	98.5 Å²	98.5	15%	0.147	47%	0.474	C	S	.	.	H	α-helix	trans	-63.5	-33.7	176.9	62	0	0	0	0	113	I619 Y620 T625	I619-S623 PolarHBondContact O-N 3.34Å; Y620-S623 WeakPolarHBondContact CA-OG 2.84Å; Y620-S623 PolarHBondContact O-N 2.9Å; Y620-S623 PolarHBondContact O-OG 3.3Å; S623-T625 VanDerWaalsContact C-N 3.33Å
624	M	63.3	Low	65.6	Low	132 Å²	132	95.5 Å²	95.5	65%	0.65	46%	0.463	S	S	*	.	H	α-helix	trans	-71.2	-28	177	-70.6	-65.2	178.2	0	0	113.2	Y620 H622 I631	Y620-M624 WeakPolarHBondContact O-CG 3.32Å; Y620-M624 PolarHBondContact O-N 2.96Å; H622-M624 VanDerWaalsContact C-N 3.28Å; H622-M624 PolarHBondContact O-N 3.06Å; M624-I631 HydrophobicContact CE-CD1 4.43Å
625	T	61.9	Low	64.2	Low	97 Å²	97	92 Å²	92	60%	0.595	46%	0.457	S	S	*	.	H	α-helix	trans	-92.5	-21.1	-176.8	45.5	0	0	0	0	113	K621 H622 S623	K621-T625 PolarHBondContact O-N 3.45Å; K621-T625 PolarHBondContact O-OG1 2.8Å; H622-T625 WeakPolarHBondContact CA-OG1 3.21Å; H622-T625 PolarHBondContact O-N 3.25Å; H622-T625 PolarHBondContact O-OG1 3.19Å; S623-T625 VanDerWaalsContact C-N 3.33Å
626	N	58.8	Low	62.9	Low	70 Å²	70	93.5 Å²	93.5	37%	0.374	47%	0.467	S	S	.	.			trans	-113	94.6	179.3	-106.7	-30.6	0	0	0	110.7	H622 K628 Y629	H622-N626 PolarHBondContact CE1-ND2 3.11Å; H622-N626 VanDerWaalsContact CE1-ND2 3.26Å; H622-N626 PolarHBondContact NE2-ND2 2.99Å; H622-N626 PolarHBondContact O-N 3.29Å; N626-K628 PolarHBondContact O-N 2.87Å; N626-Y629 HydrophobicContact CB-CD2 4.4Å; N626-Y629 WeakPolarHBondContact O-CB 3.28Å; N626-Y629 PolarHBondContact O-N 2.81Å
627	H	53.7	Low	62.1	Low	184 Å²	184	96.6 Å²	96.6	85%	0.852	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-15.9	176.4	-63.9	-59.5	0	0	0	114.5	Y629	H627-Y629 PolarHBondContact O-N 3.22Å
628	K	53.2	Low	61.7	Low	201 Å²	201	93.9 Å²	93.9	87%	0.874	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.3	174.2	-141	174.9	-173.8	177.3	0	112.8	N626 N630	N626-K628 PolarHBondContact O-N 2.87Å; K628-N630 PolarHBondContact O-N 3.35Å
629	Y	51.5	Low	61.7	Low	76 Å²	76	90.8 Å²	90.8	30%	0.298	46%	0.456	S	S	.	.	S	Bend	trans	-95.4	88.5	177.6	-92.6	-85.9	0	0	0	110.2	N626 H627 I631 D719	N626-Y629 HydrophobicContact CB-CD2 4.4Å; N626-Y629 WeakPolarHBondContact O-CB 3.28Å; N626-Y629 PolarHBondContact O-N 2.81Å; H627-Y629 PolarHBondContact O-N 3.22Å; Y629-I631 PolarHBondContact O-N 2.64Å; Y629-I631 VanDerWaalsContact O-N 3.15Å; Y629-D719 HydrophobicContact CE2-CB 3.75Å; Y629-D719 WeakPolarHBondContact CE2-OD2 3.4Å; Y629-D719 VanDerWaalsContact CZ-OD2 3.3Å; Y629-D719 WeakPolarHBondContact OH-CB 3.35Å; Y629-D719 VanDerWaalsContact OH-CG 3.27Å; Y629-D719 PolarHBondContact OH-OD2 3.27Å
630	N	49.2	Very low	62	Low	124 Å²	124	89.9 Å²	89.9	66%	0.663	45%	0.451	S	S	*	.			trans	-63	118.1	170.9	-144.6	-12.5	0	0	0	108.4	K628 N632 K633	K628-N630 PolarHBondContact O-N 3.35Å; N630-N632 PolarHBondContact O-N 2.96Å; N630-K633 PolarHBondContact O-N 2.95Å
631	I	47.3	Very low	62.2	Low	101 Å²	101	89 Å²	89	52%	0.518	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-13.3	-170.2	-70.8	165.1	0	0	0	113.9	M624 Y629 K633	M624-I631 HydrophobicContact CE-CD1 4.43Å; Y629-I631 PolarHBondContact O-N 2.64Å; Y629-I631 VanDerWaalsContact O-N 3.15Å; I631-K633 PolarHBondContact O-N 2.96Å
632	N	45.9	Very low	62.5	Low	142 Å²	142	82 Å²	82	76%	0.759	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	4.6	-172.7	-64.1	-13.2	0	0	0	116.1	N630	N630-N632 PolarHBondContact O-N 2.96Å
633	K	47.7	Very low	63.3	Low	154 Å²	154	80.3 Å²	80.3	67%	0.67	41%	0.413	S	S	*	.	S	Bend	trans	-110.4	-11.6	-173.3	-90	177.8	-176.9	169.5	0	117.5	R129 N630 I631	R129-K633 VanDerWaalsContact NH2-CE 3.32Å; N630-K633 PolarHBondContact O-N 2.95Å; I631-K633 PolarHBondContact O-N 2.96Å
634	V	53.3	Low	64.2	Low	49 Å²	49	79.7 Å²	79.7	30%	0.297	41%	0.408	S	S	.	.			trans	-134.4	93.9	173.7	-175	0	0	0	0	108.2	S636 V639 I716	V634-S636 PolarHBondContact O-N 3.28Å; V634-V639 HydrophobicContact CG1-CG2 3.85Å; V634-I716 HydrophobicContact CG1-CB 4.46Å; V634-I716 HydrophobicContact CG1-CD1 3.87Å; V634-I716 HydrophobicContact CG1-CG1 3.88Å; V634-I716 HydrophobicContact CG1-CG2 3.76Å; V634-I716 HydrophobicContact CG2-CG1 4.09Å
635	A	58.9	Low	65.1	Low	50 Å²	50	75.8 Å²	75.8	41%	0.413	39%	0.389	S	S	.	.			trans	-66.9	134.9	170.3	0	0	0	0	0	108.1	N637 T638	A635-N637 HydrophobicContact CB-CB 4.28Å; A635-N637 PolarHBondContact O-N 2.67Å; A635-T638 VanDerWaalsContact O-CB 3.31Å; A635-T638 WeakPolarHBondContact O-CB 3.39Å; A635-T638 PolarHBondContact O-N 2.68Å; A635-T638 PolarHBondContact O-OG1 3.41Å
636	S	59.9	Low	66.3	Low	32 Å²	32	71.5 Å²	71.5	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-47.8	-34.3	169.2	49.7	0	0	0	0	111.7	Y620 V634 T638 V639 A640	Y620-S636 PolarHBondContact OH-OG 2.83Å; V634-S636 PolarHBondContact O-N 3.28Å; S636-T638 PolarHBondContact O-N 3.01Å; S636-V639 PolarHBondContact O-N 3.1Å; S636-A640 PolarHBondContact O-N 3.42Å
637	N	67.8	Low	67.6	Low	85 Å²	85	68.3 Å²	68.3	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-41.3	173.3	-63	-7.3	0	0	0	112.9	A635 V639 A640 E641 M784	A635-N637 HydrophobicContact CB-CB 4.28Å; A635-N637 PolarHBondContact O-N 2.67Å; N637-V639 VanDerWaalsContact C-N 3.31Å; N637-V639 PolarHBondContact O-N 2.82Å; N637-A640 PolarHBondContact O-N 2.79Å; N637-E641 WeakPolarHBondContact O-CB 2.86Å; N637-E641 VanDerWaalsContact O-CG 3.26Å; N637-E641 WeakPolarHBondContact O-CG 3.35Å; N637-E641 PolarHBondContact O-N 3.21Å; N637-M784 HydrophobicContact CB-CE 4.48Å; N637-M784 HydrophobicContact CB-SD 4.12Å
638	T	74.9	Confident	68.8	Low	61 Å²	61	60.6 Å²	60.6	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-39	177.9	-49.3	0	0	0	0	111.4	A635 S636 L642	A635-T638 VanDerWaalsContact O-CB 3.31Å; A635-T638 WeakPolarHBondContact O-CB 3.39Å; A635-T638 PolarHBondContact O-N 2.68Å; A635-T638 PolarHBondContact O-OG1 3.41Å; S636-T638 PolarHBondContact O-N 3.01Å; T638-L642 VanDerWaalsContact O-CG 3.24Å; T638-L642 WeakPolarHBondContact O-CG 3.35Å; T638-L642 PolarHBondContact O-N 3.13Å; T638-L642 VanDerWaalsContact O-N 3.15Å
639	V	81.5	Confident	70	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-43.7	177.5	-174.1	0	0	0	0	110.9	F612 F615 I619 V634 S636 N637 L642 L643 L713 I716	F612-V639 HydrophobicContact CE2-CB 4.16Å; F612-V639 HydrophobicContact CE2-CG1 3.77Å; F612-V639 HydrophobicContact CZ-CB 4.42Å; F615-V639 HydrophobicContact CD1-CG1 4.21Å; F615-V639 HydrophobicContact CE1-CG1 3.48Å; F615-V639 VanDerWaalsContact CE1-CG1 3.48Å; F615-V639 HydrophobicContact CZ-CG1 4.35Å; I619-V639 HydrophobicContact CD1-CG2 4.22Å; V634-V639 HydrophobicContact CG1-CG2 3.85Å; S636-V639 PolarHBondContact O-N 3.1Å; N637-V639 VanDerWaalsContact C-N 3.31Å; N637-V639 PolarHBondContact O-N 2.82Å; V639-L642 PolarHBondContact O-N 3.02Å; V639-L643 HydrophobicContact CG1-CD1 4.19Å; V639-L643 WeakPolarHBondContact O-CB 3.15Å; V639-L643 VanDerWaalsContact O-CG 3.32Å; V639-L643 WeakPolarHBondContact O-CG 3.48Å; V639-L643 PolarHBondContact O-N 2.88Å; V639-L713 HydrophobicContact CG1-CD2 4.15Å; V639-I716 HydrophobicContact CG2-CD1 3.96Å; V639-I716 HydrophobicContact CG2-CG2 4.09Å
640	A	82.8	Confident	71.4	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-44.5	176.6	0	0	0	0	0	111.6	F612 S636 N637 L643 D644 L783 M784	F612-A640 HydrophobicContact CE1-CB 3.88Å; F612-A640 HydrophobicContact CE2-CB 4.4Å; F612-A640 HydrophobicContact CZ-CB 3.61Å; S636-A640 PolarHBondContact O-N 3.42Å; N637-A640 PolarHBondContact O-N 2.79Å; A640-L643 PolarHBondContact O-N 3.02Å; A640-D644 WeakPolarHBondContact O-CB 3.49Å; A640-D644 PolarHBondContact O-N 2.87Å; A640-L783 HydrophobicContact CB-CB 4.04Å; A640-M784 HydrophobicContact CB-CG 3.84Å; A640-M784 HydrophobicContact CB-SD 3.46Å; A640-M784 WeakPolarHBondContact CB-SD 3.45Å
641	E	80.9	Confident	72.7	Confident	95 Å²	95	42.6 Å²	42.6	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-46.4	175.8	-76	171.5	-168.5	0	0	112.4	N637 L643 D644 Q645 M784	N637-E641 WeakPolarHBondContact O-CB 2.86Å; N637-E641 VanDerWaalsContact O-CG 3.26Å; N637-E641 WeakPolarHBondContact O-CG 3.35Å; N637-E641 PolarHBondContact O-N 3.21Å; E641-L643 VanDerWaalsContact C-N 3.29Å; E641-L643 PolarHBondContact O-N 3.43Å; E641-D644 PolarHBondContact O-N 3.34Å; E641-Q645 WeakPolarHBondContact O-CG 3.41Å; E641-Q645 PolarHBondContact O-N 2.92Å; E641-M784 HydrophobicContact CG-CG 4.09Å
642	L	83.3	Confident	74	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-38.7	177.7	-70.2	168.4	0	0	0	112	T638 V639 W646 D712 L713 I716	T638-L642 VanDerWaalsContact O-CG 3.24Å; T638-L642 WeakPolarHBondContact O-CG 3.35Å; T638-L642 PolarHBondContact O-N 3.13Å; T638-L642 VanDerWaalsContact O-N 3.15Å; V639-L642 PolarHBondContact O-N 3.02Å; L642-W646 WeakPolarHBondContact O-CB 3.49Å; L642-W646 PolarHBondContact O-N 3.43Å; L642-D712 HydrophobicContact CD1-CB 3.57Å; L642-D712 HydrophobicContact CD2-CB 3.97Å; L642-D712 HydrophobicContact CG-CB 4.45Å; L642-L713 HydrophobicContact CB-CD2 4.26Å; L642-L713 HydrophobicContact CB-CG 4.34Å; L642-L713 HydrophobicContact CD1-CD2 4.34Å; L642-L713 HydrophobicContact CD1-CG 4.38Å; L642-I716 HydrophobicContact CD1-CD1 4.13Å
643	L	87.8	Confident	75.4	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-72.7	-34.5	177.9	-74.3	-178.2	0	0	0	112.5	Y608 F612 V639 A640 E641 W646 L647 L713 V737 F741 L783	Y608-L643 WeakPolarHBondContact OH-CB 3.38Å; F612-L643 HydrophobicContact CD2-CD1 3.56Å; F612-L643 HydrophobicContact CE2-CD1 3.8Å; V639-L643 HydrophobicContact CG1-CD1 4.19Å; V639-L643 WeakPolarHBondContact O-CB 3.15Å; V639-L643 VanDerWaalsContact O-CG 3.32Å; V639-L643 WeakPolarHBondContact O-CG 3.48Å; V639-L643 PolarHBondContact O-N 2.88Å; A640-L643 PolarHBondContact O-N 3.02Å; E641-L643 VanDerWaalsContact C-N 3.29Å; E641-L643 PolarHBondContact O-N 3.43Å; L643-W646 WeakPolarHBondContact O-CB 3.03Å; L643-W646 PolarHBondContact O-N 2.88Å; L643-L647 PolarHBondContact O-N 2.85Å; L643-L713 HydrophobicContact CD2-CD1 3.96Å; L643-L713 HydrophobicContact CD2-CD2 4.17Å; L643-L713 HydrophobicContact CG-CD2 4.3Å; L643-V737 HydrophobicContact CD2-CG1 3.51Å; L643-V737 HydrophobicContact CD2-CG2 4.49Å; L643-F741 HydrophobicContact CD1-CZ 4.26Å; L643-L783 HydrophobicContact CB-CD1 3.49Å; L643-L783 VanDerWaalsContact CB-CD1 3.49Å; L643-L783 HydrophobicContact CD1-CD1 3.74Å; L643-L783 HydrophobicContact CG-CD1 4.28Å
644	D	85.2	Confident	76.6	Confident	8 Å²	8	27.6 Å²	27.6	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-43	171.5	-82.7	-12.7	0	0	0	111.5	A640 E641 W646 L647 M648 P770 H780 G782 L783 M784	A640-D644 WeakPolarHBondContact O-CB 3.49Å; A640-D644 PolarHBondContact O-N 2.87Å; E641-D644 PolarHBondContact O-N 3.34Å; D644-W646 VanDerWaalsContact C-N 3.28Å; D644-W646 PolarHBondContact O-N 3.24Å; D644-L647 WeakPolarHBondContact O-CB 3.47Å; D644-L647 PolarHBondContact O-N 3.4Å; D644-L647 VanDerWaalsContact O-N 3.15Å; D644-M648 WeakPolarHBondContact O-CG 3.42Å; D644-M648 PolarHBondContact O-N 3.34Å; D644-P770 HydrophobicContact CB-CB 4.48Å; D644-H780 IonicContact OD2-CE1 3.13Å; D644-G782 WeakPolarHBondContact OD1-CA 3.22Å; D644-L783 VanDerWaalsContact CG-N 3.27Å; D644-L783 PolarHBondContact OD1-N 2.95Å; D644-L783 PolarHBondContact OD2-N 3.29Å; D644-M784 PolarHBondContact OD2-N 3.11Å
645	Q	81.5	Confident	77.5	Confident	51 Å²	51	25.3 Å²	25.3	24%	0.238	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-38.1	171.9	-71.2	175.3	8.6	0	0	111.9	E641 M648 L649 I709	E641-Q645 WeakPolarHBondContact O-CG 3.41Å; E641-Q645 PolarHBondContact O-N 2.92Å; Q645-M648 PolarHBondContact O-N 3.4Å; Q645-L649 WeakPolarHBondContact O-CB 3.31Å; Q645-L649 PolarHBondContact O-N 2.73Å; Q645-I709 HydrophobicContact CB-CD1 3.83Å; Q645-I709 HydrophobicContact CB-CG1 4.28Å
646	W	86.8	Confident	78	Confident	7 Å²	7	25.2 Å²	25.2	3%	0.027	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-41.2	174.4	174.1	72.2	0	0	0	112.3	Y608 L642 L643 D644 M648 L649 L650 I709 Y710 V737 I738 L754	Y608-W646 HydrophobicContact CE2-CZ3 4.47Å; L642-W646 WeakPolarHBondContact O-CB 3.49Å; L642-W646 PolarHBondContact O-N 3.43Å; L643-W646 WeakPolarHBondContact O-CB 3.03Å; L643-W646 PolarHBondContact O-N 2.88Å; D644-W646 VanDerWaalsContact C-N 3.28Å; D644-W646 PolarHBondContact O-N 3.24Å; W646-M648 VanDerWaalsContact C-N 3.32Å; W646-M648 PolarHBondContact O-N 3.09Å; W646-L649 WeakPolarHBondContact O-CB 3.09Å; W646-L649 PolarHBondContact O-N 2.99Å; W646-L650 HydrophobicContact CD2-CD1 4.21Å; W646-L650 HydrophobicContact CD2-CG 4.36Å; W646-L650 HydrophobicContact CE3-CD1 4.21Å; W646-L650 HydrophobicContact CH2-CD1 3.42Å; W646-L650 VanDerWaalsContact CH2-CD1 3.42Å; W646-L650 HydrophobicContact CH2-CG 4.43Å; W646-L650 HydrophobicContact CZ2-CD1 3.39Å; W646-L650 HydrophobicContact CZ2-CD2 4.2Å; W646-L650 HydrophobicContact CZ2-CG 3.97Å; W646-L650 HydrophobicContact CZ3-CD1 3.84Å; W646-L650 PolarHBondContact O-N 3.15Å; W646-I709 HydrophobicContact CB-CD1 4.37Å; W646-I709 HydrophobicContact CB-CG2 3.98Å; W646-Y710 AromaticContact CD1-CE1 3.74Å; W646-V737 HydrophobicContact CD2-CB 3.89Å; W646-V737 HydrophobicContact CD2-CG1 4.06Å; W646-V737 HydrophobicContact CD2-CG2 3.76Å; W646-V737 HydrophobicContact CE3-CB 4.3Å; W646-V737 HydrophobicContact CE3-CG1 3.99Å; W646-V737 HydrophobicContact CG-CB 4.42Å; W646-V737 HydrophobicContact CG-CG2 3.75Å; W646-V737 HydrophobicContact CH2-CB 4.1Å; W646-V737 HydrophobicContact CH2-CG1 4.12Å; W646-V737 HydrophobicContact CZ2-CB 3.68Å; W646-V737 HydrophobicContact CZ2-CG1 4.2Å; W646-V737 HydrophobicContact CZ2-CG2 4.29Å; W646-V737 HydrophobicContact CZ3-CB 4.4Å; W646-V737 HydrophobicContact CZ3-CG1 4.03Å; W646-I738 HydrophobicContact CH2-CD1 3.71Å; W646-I738 HydrophobicContact CH2-CG1 3.9Å; W646-I738 HydrophobicContact CZ2-CG1 4.26Å; W646-I738 HydrophobicContact CZ3-CD1 4.48Å; W646-L754 HydrophobicContact CH2-CD1 3.94Å; W646-L754 HydrophobicContact CZ3-CD1 3.89Å
647	L	85.5	Confident	78.4	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-41.7	176.9	-168.1	68.4	0	0	0	111.1	L605 L643 D644 L650 D651 L754 S758	L605-L647 HydrophobicContact CD2-CD2 3.99Å; L643-L647 PolarHBondContact O-N 2.85Å; D644-L647 WeakPolarHBondContact O-CB 3.47Å; D644-L647 PolarHBondContact O-N 3.4Å; D644-L647 VanDerWaalsContact O-N 3.15Å; L647-L650 WeakPolarHBondContact O-CB 3.4Å; L647-L650 PolarHBondContact O-N 2.74Å; L647-D651 PolarHBondContact O-N 3.13Å; L647-D651 VanDerWaalsContact O-N 3.16Å; L647-L754 HydrophobicContact CD1-CB 4.05Å; L647-S758 WeakPolarHBondContact CD1-OG 3.32Å; L647-S758 WeakPolarHBondContact CD2-OG 3.47Å; L647-S758 WeakPolarHBondContact CG-OG 3.41Å
648	M	79.1	Confident	78.4	Confident	22 Å²	22	22.6 Å²	22.6	11%	0.108	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-40.9	174.8	-70.7	164.6	43.3	0	0	112.3	D644 Q645 W646 L650 D651 Y652 F683 P770 E771	D644-M648 WeakPolarHBondContact O-CG 3.42Å; D644-M648 PolarHBondContact O-N 3.34Å; Q645-M648 PolarHBondContact O-N 3.4Å; W646-M648 VanDerWaalsContact C-N 3.32Å; W646-M648 PolarHBondContact O-N 3.09Å; M648-L650 VanDerWaalsContact C-N 3.31Å; M648-L650 PolarHBondContact O-N 3.31Å; M648-D651 PolarHBondContact O-N 3.42Å; M648-Y652 WeakPolarHBondContact O-CB 3.39Å; M648-Y652 PolarHBondContact O-N 3.38Å; M648-F683 HydrophobicContact CB-CD2 4.36Å; M648-F683 HydrophobicContact CB-CE2 4.13Å; M648-F683 HydrophobicContact CB-CZ 4.27Å; M648-F683 HydrophobicContact CE-CD2 3.19Å; M648-F683 HydrophobicContact CE-CE2 3.18Å; M648-F683 HydrophobicContact CE-CG 4.32Å; M648-F683 HydrophobicContact CE-CZ 4.24Å; M648-P770 HydrophobicContact CG-CB 4.45Å; M648-P770 HydrophobicContact SD-CB 3.82Å; M648-E771 HydrophobicContact CE-CB 4.3Å; M648-E771 HydrophobicContact CE-CG 3.09Å; M648-E771 HydrophobicContact CG-CG 4.44Å; M648-E771 HydrophobicContact SD-CG 3.75Å
649	L	79.7	Confident	78	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-36.8	174.3	-177.1	66.6	0	0	0	112.2	Q645 W646 K653 I685 E702 K706	Q645-L649 WeakPolarHBondContact O-CB 3.31Å; Q645-L649 PolarHBondContact O-N 2.73Å; W646-L649 WeakPolarHBondContact O-CB 3.09Å; W646-L649 PolarHBondContact O-N 2.99Å; L649-K653 WeakPolarHBondContact O-CG 3.39Å; L649-K653 PolarHBondContact O-N 3.45Å; L649-I685 HydrophobicContact CD1-CD1 4.4Å; L649-E702 HydrophobicContact CD1-CG 3.72Å; L649-K706 HydrophobicContact CD2-CB 3.81Å; L649-K706 HydrophobicContact CD2-CG 4.14Å
650	L	79.6	Confident	77.1	Confident	17 Å²	17	26 Å²	26	9%	0.089	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-48	174.7	-76.8	-176.2	0	0	0	112	W646 L647 M648 W654	W646-L650 HydrophobicContact CD2-CD1 4.21Å; W646-L650 HydrophobicContact CD2-CG 4.36Å; W646-L650 HydrophobicContact CE3-CD1 4.21Å; W646-L650 HydrophobicContact CH2-CD1 3.42Å; W646-L650 VanDerWaalsContact CH2-CD1 3.42Å; W646-L650 HydrophobicContact CH2-CG 4.43Å; W646-L650 HydrophobicContact CZ2-CD1 3.39Å; W646-L650 HydrophobicContact CZ2-CD2 4.2Å; W646-L650 HydrophobicContact CZ2-CG 3.97Å; W646-L650 HydrophobicContact CZ3-CD1 3.84Å; W646-L650 PolarHBondContact O-N 3.15Å; L647-L650 WeakPolarHBondContact O-CB 3.4Å; L647-L650 PolarHBondContact O-N 2.74Å; M648-L650 VanDerWaalsContact C-N 3.31Å; M648-L650 PolarHBondContact O-N 3.31Å; L650-W654 WeakPolarHBondContact O-CB 3.43Å; L650-W654 PolarHBondContact O-N 2.85Å
651	D	76.8	Confident	76.2	Confident	3 Å²	3	28 Å²	28	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-42.5	176.5	165.4	77.5	0	0	0	111.6	L647 M648 K653 W654 R655 F759 R762	L647-D651 PolarHBondContact O-N 3.13Å; L647-D651 VanDerWaalsContact O-N 3.16Å; M648-D651 PolarHBondContact O-N 3.42Å; D651-K653 PolarHBondContact O-N 2.93Å; D651-W654 VanDerWaalsContact O-CB 3.27Å; D651-W654 WeakPolarHBondContact O-CB 3.46Å; D651-W654 PolarHBondContact O-N 3.3Å; D651-R655 PolarHBondContact O-N 3.4Å; D651-R655 IonicContact OD1-NE 2.67Å; D651-R655 IonicContact OD2-CZ 2.56Å; D651-R655 IonicContact OD2-NE 3.1Å; D651-R655 PolarHBondContact OD2-NE 2.58Å; D651-R655 IonicContact OD2-NH2 2.78Å; D651-R655 PolarHBondContact OD2-NH2 2.88Å; D651-F759 WeakPolarHBondContact OD1-CA 3.22Å; D651-R762 IonicContact OD1-NE 2.71Å; D651-R762 PolarHBondContact OD1-NE 3.03Å; D651-R762 WeakPolarHBondContact OD2-CD 3.19Å; D651-R762 IonicContact OD2-CZ 3.1Å; D651-R762 IonicContact OD2-NE 3.82Å; D651-R762 PolarHBondContact OD2-NE 3.19Å
652	Y	75.1	Confident	75.2	Confident	8 Å²	8	23.7 Å²	23.7	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-51.9	176.2	173.7	-100.3	0	0	0	112.1	M648 W654 R655 Q656 F683 I685 N686 V698	M648-Y652 WeakPolarHBondContact O-CB 3.39Å; M648-Y652 PolarHBondContact O-N 3.38Å; Y652-W654 PolarHBondContact O-N 3.39Å; Y652-R655 PolarHBondContact O-N 3Å; Y652-Q656 HydrophobicContact CD1-CG 4.45Å; Y652-Q656 HydrophobicContact CE1-CG 3.91Å; Y652-Q656 HydrophobicContact CE2-CG 4.06Å; Y652-Q656 VanDerWaalsContact CE2-NE2 3.33Å; Y652-Q656 WeakPolarHBondContact O-CG 3.46Å; Y652-Q656 PolarHBondContact O-N 3.32Å; Y652-Q656 VanDerWaalsContact O-N 3.07Å; Y652-Q656 PolarHBondContact OH-NE2 3.46Å; Y652-F683 HydrophobicContact CD2-CD1 4.13Å; Y652-F683 HydrophobicContact CG-CD1 4.04Å; Y652-F683 HydrophobicContact CG-CE1 4.42Å; Y652-I685 HydrophobicContact CE1-CG2 4.13Å; Y652-I685 HydrophobicContact CE2-CG2 4.16Å; Y652-N686 WeakPolarHBondContact CE2-OD1 3.21Å; Y652-V698 WeakPolarHBondContact OH-CG1 3.5Å
653	K	74.6	Confident	74.1	Confident	61 Å²	61	28.9 Å²	28.9	27%	0.265	14%	0.141	S	C	.	.	H	α-helix	trans	-59.5	-37	177.5	-74.4	176.6	-178.5	-113.6	0	112.1	L649 D651 Q656 T657 E702	L649-K653 WeakPolarHBondContact O-CG 3.39Å; L649-K653 PolarHBondContact O-N 3.45Å; D651-K653 PolarHBondContact O-N 2.93Å; K653-Q656 PolarHBondContact O-N 2.88Å; K653-T657 PolarHBondContact O-N 3.3Å; K653-T657 PolarHBondContact O-OG1 3.23Å; K653-E702 WeakPolarHBondContact CE-OE1 3.48Å; K653-E702 IonicContact NZ-OE1 2.93Å; K653-E702 PolarHBondContact NZ-OE1 3.29Å
654	W	72.8	Confident	72.4	Confident	13 Å²	13	32.4 Å²	32.4	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-51.5	177.3	-171.9	-129	0	0	0	111.8	L650 D651 Y652 Q656 T657 I658 R755 F759 M833 E834	L650-W654 WeakPolarHBondContact O-CB 3.43Å; L650-W654 PolarHBondContact O-N 2.85Å; D651-W654 VanDerWaalsContact O-CB 3.27Å; D651-W654 WeakPolarHBondContact O-CB 3.46Å; D651-W654 PolarHBondContact O-N 3.3Å; Y652-W654 PolarHBondContact O-N 3.39Å; W654-Q656 VanDerWaalsContact C-N 3.31Å; W654-Q656 PolarHBondContact O-N 3.47Å; W654-T657 WeakPolarHBondContact O-CB 3.42Å; W654-T657 PolarHBondContact O-N 2.89Å; W654-T657 VanDerWaalsContact O-N 3.11Å; W654-I658 HydrophobicContact CD2-CD1 4.03Å; W654-I658 HydrophobicContact CD2-CG1 4.3Å; W654-I658 HydrophobicContact CG-CD1 4.13Å; W654-I658 HydrophobicContact CZ2-CD1 4.1Å; W654-I658 HydrophobicContact CZ2-CG1 4.49Å; W654-I658 VanDerWaalsContact NE1-CD1 3.27Å; W654-I658 WeakPolarHBondContact O-CG1 3.28Å; W654-I658 PolarHBondContact O-N 3.41Å; W654-R755 HydrophobicContact CB-CG 3.57Å; W654-R755 HydrophobicContact CD2-CG 4.01Å; W654-R755 HydrophobicContact CE3-CG 4.46Å; W654-R755 VanDerWaalsContact CG-CD 3.49Å; W654-R755 HydrophobicContact CG-CG 3.62Å; W654-F759 AromaticContact CD1-CD2 3.92Å; W654-F759 AromaticContact CD1-CG 3.84Å; W654-M833 HydrophobicContact CE3-SD 4.24Å; W654-M833 HydrophobicContact CH2-CB 3.74Å; W654-M833 HydrophobicContact CH2-CG 3.59Å; W654-M833 HydrophobicContact CH2-SD 4.14Å; W654-M833 HydrophobicContact CZ2-CB 4.2Å; W654-M833 HydrophobicContact CZ2-CG 4.39Å; W654-M833 HydrophobicContact CZ3-CB 4.34Å; W654-M833 HydrophobicContact CZ3-CG 3.68Å; W654-M833 HydrophobicContact CZ3-SD 3.87Å; W654-E834 WeakPolarHBondContact CZ2-O 3.41Å
655	R	72.2	Confident	70.8	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-57.2	-44.5	177	-72.8	-176.9	-95.2	161.4	2	112.4	D651 Y652 T657 I658 R659 F679 S681 F759 R762	D651-R655 PolarHBondContact O-N 3.4Å; D651-R655 IonicContact OD1-NE 2.67Å; D651-R655 IonicContact OD2-CZ 2.56Å; D651-R655 IonicContact OD2-NE 3.1Å; D651-R655 PolarHBondContact OD2-NE 2.58Å; D651-R655 IonicContact OD2-NH2 2.78Å; D651-R655 PolarHBondContact OD2-NH2 2.88Å; Y652-R655 PolarHBondContact O-N 3Å; R655-T657 VanDerWaalsContact C-N 3.31Å; R655-T657 PolarHBondContact O-N 3.48Å; R655-I658 PolarHBondContact O-N 3.5Å; R655-R659 WeakPolarHBondContact O-CB 3.35Å; R655-R659 WeakPolarHBondContact O-CG 3.3Å; R655-R659 PolarHBondContact O-N 2.95Å; R655-F679 HydrophobicContact CB-CD1 4.47Å; R655-S681 VanDerWaalsContact NH1-CA 3.31Å; R655-S681 PolarHBondContact NH1-OG 3.35Å; R655-F759 HydrophobicContact CG-CD2 4.19Å; R655-F759 HydrophobicContact CG-CE2 4.15Å; R655-R762 VanDerWaalsContact CD-NH2 3.27Å; R655-R762 VanDerWaalsContact CZ-CZ 3.42Å; R655-R762 VanDerWaalsContact CZ-NH1 3.32Å; R655-R762 VanDerWaalsContact NE-CZ 3.35Å; R655-R762 VanDerWaalsContact NH1-NH1 3.12Å
656	Q	70.5	Confident	69	Low	49 Å²	49	36.4 Å²	36.4	23%	0.229	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-40.4	177.7	-63.3	-54.5	-25.6	0	0	111.6	Y652 K653 W654 R659 L660	Y652-Q656 HydrophobicContact CD1-CG 4.45Å; Y652-Q656 HydrophobicContact CE1-CG 3.91Å; Y652-Q656 HydrophobicContact CE2-CG 4.06Å; Y652-Q656 VanDerWaalsContact CE2-NE2 3.33Å; Y652-Q656 WeakPolarHBondContact O-CG 3.46Å; Y652-Q656 PolarHBondContact O-N 3.32Å; Y652-Q656 VanDerWaalsContact O-N 3.07Å; Y652-Q656 PolarHBondContact OH-NE2 3.46Å; K653-Q656 PolarHBondContact O-N 2.88Å; W654-Q656 VanDerWaalsContact C-N 3.31Å; W654-Q656 PolarHBondContact O-N 3.47Å; Q656-R659 PolarHBondContact O-N 3.34Å; Q656-L660 WeakPolarHBondContact O-CB 3.5Å; Q656-L660 WeakPolarHBondContact O-CG 3.24Å; Q656-L660 PolarHBondContact O-N 3.38Å
657	T	68.9	Low	67	Low	61 Å²	61	43.3 Å²	43.3	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-45.4	176.4	-48.2	0	0	0	0	111	K653 W654 R655 L660 T661 M833	K653-T657 PolarHBondContact O-N 3.3Å; K653-T657 PolarHBondContact O-OG1 3.23Å; W654-T657 WeakPolarHBondContact O-CB 3.42Å; W654-T657 PolarHBondContact O-N 2.89Å; W654-T657 VanDerWaalsContact O-N 3.11Å; R655-T657 VanDerWaalsContact C-N 3.31Å; R655-T657 PolarHBondContact O-N 3.48Å; T657-L660 PolarHBondContact O-N 3.41Å; T657-T661 WeakPolarHBondContact O-CB 3.45Å; T657-T661 PolarHBondContact O-N 3.45Å; T657-T661 PolarHBondContact O-OG1 2.89Å; T657-M833 HydrophobicContact CG2-CE 4.24Å; T657-M833 HydrophobicContact CG2-SD 3.44Å; T657-M833 WeakPolarHBondContact CG2-SD 3.3Å; T657-M833 WeakPolarHBondContact O-CE 3.23Å
658	I	66.3	Low	64.9	Low	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-53.1	175.4	-68	176.7	0	0	0	110.8	W654 R655 L660 T661 Y662 F679 W821 M833	W654-I658 HydrophobicContact CD2-CD1 4.03Å; W654-I658 HydrophobicContact CD2-CG1 4.3Å; W654-I658 HydrophobicContact CG-CD1 4.13Å; W654-I658 HydrophobicContact CZ2-CD1 4.1Å; W654-I658 HydrophobicContact CZ2-CG1 4.49Å; W654-I658 VanDerWaalsContact NE1-CD1 3.27Å; W654-I658 WeakPolarHBondContact O-CG1 3.28Å; W654-I658 PolarHBondContact O-N 3.41Å; R655-I658 PolarHBondContact O-N 3.5Å; I658-L660 VanDerWaalsContact C-N 3.33Å; I658-L660 PolarHBondContact O-N 3.01Å; I658-T661 PolarHBondContact O-N 3.19Å; I658-Y662 HydrophobicContact CG2-CD2 3.57Å; I658-Y662 HydrophobicContact CG2-CE2 3.1Å; I658-Y662 WeakPolarHBondContact O-CD2 3.31Å; I658-Y662 PolarHBondContact O-N 3.2Å; I658-F679 HydrophobicContact CB-CE1 4.06Å; I658-F679 HydrophobicContact CB-CZ 4.41Å; I658-F679 HydrophobicContact CG2-CE1 3.6Å; I658-F679 HydrophobicContact CG2-CZ 3.47Å; I658-F679 VanDerWaalsContact CG2-CZ 3.47Å; I658-W821 HydrophobicContact CG2-CH2 4.31Å; I658-W821 HydrophobicContact CG2-CZ3 4.32Å; I658-M833 VanDerWaalsContact CA-CE 3.46Å; I658-M833 HydrophobicContact CB-CE 4.28Å; I658-M833 HydrophobicContact CB-SD 4.31Å; I658-M833 HydrophobicContact CG1-CE 3.97Å; I658-M833 HydrophobicContact CG1-SD 3.53Å; I658-M833 VanDerWaalsContact CG1-SD 3.53Å
659	R	66.4	Low	63.1	Low	34 Å²	34	53.1 Å²	53.1	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-56.4	-45.5	177.9	-75.2	179.7	176.2	-176.5	-2.2	112.1	R655 Q656 T661 Y662 K663 F679	R655-R659 WeakPolarHBondContact O-CB 3.35Å; R655-R659 WeakPolarHBondContact O-CG 3.3Å; R655-R659 PolarHBondContact O-N 2.95Å; Q656-R659 PolarHBondContact O-N 3.34Å; R659-T661 VanDerWaalsContact C-N 3.35Å; R659-Y662 PolarHBondContact O-N 3.39Å; R659-K663 WeakPolarHBondContact O-CG 3.48Å; R659-K663 PolarHBondContact O-N 3.33Å; R659-F679 HydrophobicContact CG-CD1 3.53Å; R659-F679 HydrophobicContact CG-CE1 3.64Å; R659-F679 HydrophobicContact CG-CG 4.06Å; R659-F679 HydrophobicContact CG-CZ 4.25Å; R659-F679 PolarHBondContact NH2-O 2.97Å
660	L	63.9	Low	61.5	Low	99 Å²	99	59.2 Å²	59.2	52%	0.518	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-39.5	-179.9	-75.1	170.8	0	0	0	112.2	Q656 T657 I658 K663 A664	Q656-L660 WeakPolarHBondContact O-CB 3.5Å; Q656-L660 WeakPolarHBondContact O-CG 3.24Å; Q656-L660 PolarHBondContact O-N 3.38Å; T657-L660 PolarHBondContact O-N 3.41Å; I658-L660 VanDerWaalsContact C-N 3.33Å; I658-L660 PolarHBondContact O-N 3.01Å; L660-K663 PolarHBondContact O-N 3.01Å; L660-A664 PolarHBondContact O-N 2.96Å
661	T	63.4	Low	60.1	Low	43 Å²	43	67 Å²	67	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-40.2	-179.9	-53.6	0	0	0	0	110.6	T657 I658 R659 K663 A664 D665 L824 M833	T657-T661 WeakPolarHBondContact O-CB 3.45Å; T657-T661 PolarHBondContact O-N 3.45Å; T657-T661 PolarHBondContact O-OG1 2.89Å; I658-T661 PolarHBondContact O-N 3.19Å; R659-T661 VanDerWaalsContact C-N 3.35Å; T661-K663 VanDerWaalsContact C-N 3.33Å; T661-K663 PolarHBondContact O-N 3.24Å; T661-A664 PolarHBondContact O-N 2.99Å; T661-A664 VanDerWaalsContact O-N 3.14Å; T661-D665 PolarHBondContact O-N 3.45Å; T661-L824 HydrophobicContact CG2-CD1 3.89Å; T661-L824 HydrophobicContact CG2-CD2 3.67Å; T661-L824 HydrophobicContact CG2-CG 4.43Å; T661-M833 HydrophobicContact CG2-CE 3.82Å; T661-M833 WeakPolarHBondContact OG1-CE 3.41Å
662	Y	59.9	Low	58.9	Low	6 Å²	6	68.2 Å²	68.2	2%	0.024	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-33.3	173	-66.8	-45.8	0	0	0	113.9	I658 R659 A664 V672 F679 W821 P822 L824 H835	I658-Y662 HydrophobicContact CG2-CD2 3.57Å; I658-Y662 HydrophobicContact CG2-CE2 3.1Å; I658-Y662 WeakPolarHBondContact O-CD2 3.31Å; I658-Y662 PolarHBondContact O-N 3.2Å; R659-Y662 PolarHBondContact O-N 3.39Å; Y662-A664 VanDerWaalsContact C-N 3.33Å; Y662-V672 VanDerWaalsContact CB-CG2 3.41Å; Y662-V672 HydrophobicContact CD1-CG2 4.3Å; Y662-V672 HydrophobicContact CD2-CB 4.34Å; Y662-V672 HydrophobicContact CD2-CG1 4.31Å; Y662-V672 HydrophobicContact CD2-CG2 3.58Å; Y662-V672 HydrophobicContact CE2-CG2 4.34Å; Y662-V672 HydrophobicContact CG-CB 4.47Å; Y662-V672 HydrophobicContact CG-CG2 3.52Å; Y662-F679 HydrophobicContact CD2-CZ 4.05Å; Y662-F679 HydrophobicContact CE2-CE2 4.5Å; Y662-F679 AromaticContact CE2-CZ 3.9Å; Y662-F679 HydrophobicContact CE2-CZ 3.9Å; Y662-W821 HydrophobicContact CE2-CD2 4.08Å; Y662-W821 HydrophobicContact CE2-CE3 4.24Å; Y662-W821 HydrophobicContact CE2-CG 4.37Å; Y662-W821 AromaticContact CZ-CD2 3.99Å; Y662-W821 VanDerWaalsContact OH-CB 3.29Å; Y662-W821 WeakPolarHBondContact OH-CB 3.32Å; Y662-W821 VanDerWaalsContact OH-CD2 3.27Å; Y662-P822 HydrophobicContact CD1-CG 3.6Å; Y662-P822 HydrophobicContact CE1-CG 3.43Å; Y662-P822 VanDerWaalsContact CE1-CG 3.43Å; Y662-L824 HydrophobicContact CD1-CD2 4.49Å; Y662-L824 HydrophobicContact CE1-CD1 4.25Å; Y662-L824 HydrophobicContact CE1-CD2 4.17Å; Y662-L824 HydrophobicContact CE1-CG 4.26Å; Y662-H835 PolarHBondContact OH-NE2 2.91Å
663	K	59.8	Low	57.8	Low	118 Å²	118	71.7 Å²	71.7	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-33.6	171.5	-74.4	-174.3	179.3	-170.5	0	112.3	R659 L660 T661 S666	R659-K663 WeakPolarHBondContact O-CG 3.48Å; R659-K663 PolarHBondContact O-N 3.33Å; L660-K663 PolarHBondContact O-N 3.01Å; T661-K663 VanDerWaalsContact C-N 3.33Å; T661-K663 PolarHBondContact O-N 3.24Å; K663-S666 WeakPolarHBondContact O-CB 3.42Å; K663-S666 PolarHBondContact O-OG 3.47Å
664	A	51.9	Low	56.8	Low	74 Å²	74	73.9 Å²	73.9	61%	0.612	40%	0.398	S	S	*	.	H	α-helix	trans	-75.8	-34.9	-179	0	0	0	0	0	113	L660 T661 Y662 S666	L660-A664 PolarHBondContact O-N 2.96Å; T661-A664 PolarHBondContact O-N 2.99Å; T661-A664 VanDerWaalsContact O-N 3.14Å; Y662-A664 VanDerWaalsContact C-N 3.33Å; A664-S666 PolarHBondContact O-N 2.88Å
665	D	52.7	Low	55.9	Low	80 Å²	80	74 Å²	74	43%	0.428	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	6.1	178.2	-70.3	-19	0	0	0	113.5	T661 V667 S668 L824	T661-D665 PolarHBondContact O-N 3.45Å; D665-V667 PolarHBondContact O-N 3.18Å; D665-S668 PolarHBondContact O-N 2.9Å; D665-S668 PolarHBondContact O-OG 3.43Å; D665-L824 WeakPolarHBondContact OD2-CD2 3.42Å
666	S	43.6	Very low	55.4	Low	64 Å²	64	74.5 Å²	74.5	45%	0.448	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	19	-172.1	65.1	0	0	0	0	116.1	K663 A664 S668	K663-S666 WeakPolarHBondContact O-CB 3.42Å; K663-S666 PolarHBondContact O-OG 3.47Å; A664-S666 PolarHBondContact O-N 2.88Å; S666-S668 CarbonylContact C-O 3.56Å; S666-S668 WeakPolarHBondContact CA-O 3.35Å; S666-S668 PolarHBondContact O-N 3.46Å
667	V	44	Very low	55	Low	151 Å²	151	72.6 Å²	72.6	92%	0.915	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.6	160.1	-174.5	0	0	0	0	110.6	D665	D665-V667 PolarHBondContact O-N 3.18Å
668	S	41.2	Very low	54.7	Low	57 Å²	57	69.7 Å²	69.7	40%	0.399	38%	0.378	S	S	.	.	S	Bend	trans	-105.7	138.7	164.3	55.4	0	0	0	0	109.6	D665 S666 Y670	D665-S668 PolarHBondContact O-N 2.9Å; D665-S668 PolarHBondContact O-OG 3.43Å; S666-S668 CarbonylContact C-O 3.56Å; S666-S668 WeakPolarHBondContact CA-O 3.35Å; S666-S668 PolarHBondContact O-N 3.46Å; S668-Y670 PolarHBondContact O-N 3.16Å; S668-Y670 WeakPolarHBondContact OG-CD2 3.29Å
669	N	41.9	Very low	54.5	Low	174 Å²	174	69.8 Å²	69.8	93%	0.93	38%	0.379	S	S	*	.	S	Bend	trans	-52.3	16.6	-176	-87.7	-19.4	0	0	0	117.8	Q671	N669-Q671 VanDerWaalsContact C-N 3.33Å; N669-Q671 PolarHBondContact O-N 3.22Å
670	Y	47.1	Very low	54.3	Low	131 Å²	131	73.4 Å²	73.4	51%	0.514	40%	0.395	S	S	.	.			trans	-81.2	77.4	175.4	-63	-77.4	0	0	0	110.5	S668 V672	S668-Y670 PolarHBondContact O-N 3.16Å; S668-Y670 WeakPolarHBondContact OG-CD2 3.29Å; Y670-V672 PolarHBondContact O-N 3.47Å; Y670-V672 VanDerWaalsContact O-N 3.09Å
671	Q	48.4	Very low	53.7	Low	180 Å²	180	69.6 Å²	69.6	84%	0.841	38%	0.377	S	S	*	.			trans	-66.1	107.8	154.9	-72.2	-175.2	-3.5	0	0	106.8	N669 D673	N669-Q671 VanDerWaalsContact C-N 3.33Å; N669-Q671 PolarHBondContact O-N 3.22Å; Q671-D673 PolarHBondContact O-N 3.48Å
672	V	51.4	Low	53.1	Low	29 Å²	29	70.5 Å²	70.5	18%	0.176	39%	0.385	C	S	.	.			trans	-63	98.7	164.2	167.5	0	0	0	0	106.5	Y662 Y670 N674 F679	Y662-V672 VanDerWaalsContact CB-CG2 3.41Å; Y662-V672 HydrophobicContact CD1-CG2 4.3Å; Y662-V672 HydrophobicContact CD2-CB 4.34Å; Y662-V672 HydrophobicContact CD2-CG1 4.31Å; Y662-V672 HydrophobicContact CD2-CG2 3.58Å; Y662-V672 HydrophobicContact CE2-CG2 4.34Å; Y662-V672 HydrophobicContact CG-CB 4.47Å; Y662-V672 HydrophobicContact CG-CG2 3.52Å; Y670-V672 PolarHBondContact O-N 3.47Å; Y670-V672 VanDerWaalsContact O-N 3.09Å; V672-N674 PolarHBondContact O-N 2.91Å; V672-F679 HydrophobicContact CG1-CD2 3.65Å; V672-F679 HydrophobicContact CG1-CE2 3.23Å; V672-F679 HydrophobicContact CG1-CZ 4.05Å
673	D	54.1	Low	52.9	Low	81 Å²	81	70.7 Å²	70.7	43%	0.433	39%	0.386	S	S	.	.			trans	-54.5	130.1	-179.9	-170.5	-8.6	0	0	0	108.3	Q671 C675 S676	Q671-D673 PolarHBondContact O-N 3.48Å; D673-C675 PolarHBondContact O-N 2.66Å; D673-C675 VanDerWaalsContact OD1-CB 3.28Å; D673-C675 WeakPolarHBondContact OD1-CB 3.43Å; D673-C675 PolarHBondContact OD1-N 2.74Å; D673-C675 PolarHBondContact OD1-SG 3.47Å; D673-C675 VanDerWaalsContact OD1-SG 3.33Å; D673-S676 WeakPolarHBondContact O-CB 3.24Å; D673-S676 PolarHBondContact O-N 3.32Å
674	N	53	Low	52.3	Low	106 Å²	106	72.3 Å²	72.3	57%	0.567	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.7	173.7	-75.8	-21.4	0	0	0	111.1	V672	V672-N674 PolarHBondContact O-N 2.91Å
675	C	53.1	Low	52.3	Low	16 Å²	16	69.4 Å²	69.4	11%	0.108	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	3.1	178.1	-55.4	0	0	0	0	115.2	D673 L677 C876	D673-C675 PolarHBondContact O-N 2.66Å; D673-C675 VanDerWaalsContact OD1-CB 3.28Å; D673-C675 WeakPolarHBondContact OD1-CB 3.43Å; D673-C675 PolarHBondContact OD1-N 2.74Å; D673-C675 PolarHBondContact OD1-SG 3.47Å; D673-C675 VanDerWaalsContact OD1-SG 3.33Å; C675-L677 PolarHBondContact O-N 2.93Å; C675-C876 WeakPolarHBondContact CA-SG 3.37Å; C675-C876 HydrophobicContact CB-CB 3.35Å; C675-C876 WeakPolarHBondContact CB-SG 3.41Å; C675-C876 WeakPolarHBondContact SG-CA 3.12Å; C675-C876 WeakPolarHBondContact SG-CB 3.14Å; C675-C876 CovalentContact SG-SG 2.03Å; C675-C876 PolarHBondContact SG-SG 3.27Å
676	S	62.8	Low	52.2	Low	12 Å²	12	66 Å²	66	8%	0.084	35%	0.351	C	S	.	.			trans	-59.9	125.6	169	156.4	0	0	0	0	110.2	D673 S678 F679 E816	D673-S676 WeakPolarHBondContact O-CB 3.24Å; D673-S676 PolarHBondContact O-N 3.32Å; S676-S678 PolarHBondContact O-N 3.22Å; S676-S678 WeakPolarHBondContact OG-CB 3.43Å; S676-S678 PolarHBondContact OG-N 3.48Å; S676-F679 PolarHBondContact O-N 2.75Å; S676-F679 WeakPolarHBondContact OG-CD2 3.3Å; S676-E816 WeakPolarHBondContact CB-OE1 3.33Å; S676-E816 PolarHBondContact OG-OE1 3.02Å
677	L	61.4	Low	52.3	Low	9 Å²	9	68.8 Å²	68.8	5%	0.047	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-52.4	-31.5	178.4	-71.8	173.1	0	0	0	112	C675 F679 M813 R868 D871	C675-L677 PolarHBondContact O-N 2.93Å; L677-F679 VanDerWaalsContact C-N 3.25Å; L677-F679 PolarHBondContact O-N 3.39Å; L677-M813 HydrophobicContact CB-CE 3.79Å; L677-M813 HydrophobicContact CB-CG 4.49Å; L677-M813 HydrophobicContact CD1-CG 4.48Å; L677-R868 HydrophobicContact CD1-CB 4.47Å; L677-R868 HydrophobicContact CG-CB 4.45Å; L677-D871 HydrophobicContact CD2-CB 3.43Å; L677-D871 VanDerWaalsContact CD2-CB 3.43Å
678	S	63.4	Low	52.3	Low	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-67.4	-23.6	-178.8	-50.9	0	0	0	0	113.4	S676 R763 E816	S676-S678 PolarHBondContact O-N 3.22Å; S676-S678 WeakPolarHBondContact OG-CB 3.43Å; S676-S678 PolarHBondContact OG-N 3.48Å; S678-R763 PolarHBondContact OG-NE 3.43Å; S678-R763 PolarHBondContact OG-NH2 2.83Å; S678-E816 PolarHBondContact OG-OE1 2.81Å
679	F	61.6	Low	52.2	Low	1 Å²	1	62 Å²	62	0%	0.004	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-108.6	-0.2	-177.7	-66.6	-67.4	0	0	0	114.7	R655 I658 R659 Y662 V672 S676 L677 S681 W821	R655-F679 HydrophobicContact CB-CD1 4.47Å; I658-F679 HydrophobicContact CB-CE1 4.06Å; I658-F679 HydrophobicContact CB-CZ 4.41Å; I658-F679 HydrophobicContact CG2-CE1 3.6Å; I658-F679 HydrophobicContact CG2-CZ 3.47Å; I658-F679 VanDerWaalsContact CG2-CZ 3.47Å; R659-F679 HydrophobicContact CG-CD1 3.53Å; R659-F679 HydrophobicContact CG-CE1 3.64Å; R659-F679 HydrophobicContact CG-CG 4.06Å; R659-F679 HydrophobicContact CG-CZ 4.25Å; R659-F679 PolarHBondContact NH2-O 2.97Å; Y662-F679 HydrophobicContact CD2-CZ 4.05Å; Y662-F679 HydrophobicContact CE2-CE2 4.5Å; Y662-F679 AromaticContact CE2-CZ 3.9Å; Y662-F679 HydrophobicContact CE2-CZ 3.9Å; V672-F679 HydrophobicContact CG1-CD2 3.65Å; V672-F679 HydrophobicContact CG1-CE2 3.23Å; V672-F679 HydrophobicContact CG1-CZ 4.05Å; S676-F679 PolarHBondContact O-N 2.75Å; S676-F679 WeakPolarHBondContact OG-CD2 3.3Å; L677-F679 VanDerWaalsContact C-N 3.25Å; L677-F679 PolarHBondContact O-N 3.39Å; F679-S681 PolarHBondContact O-N 2.84Å; F679-W821 HydrophobicContact CD2-CZ2 4.3Å; F679-W821 HydrophobicContact CE1-CH2 4.23Å; F679-W821 HydrophobicContact CE1-CZ2 4.29Å; F679-W821 HydrophobicContact CE2-CH2 4.16Å; F679-W821 AromaticContact CE2-CZ2 3.42Å; F679-W821 HydrophobicContact CE2-CZ2 3.42Å; F679-W821 VanDerWaalsContact CE2-CZ2 3.42Å; F679-W821 AromaticContact CZ-CH2 3.68Å; F679-W821 HydrophobicContact CZ-CH2 3.68Å; F679-W821 AromaticContact CZ-CZ2 3.41Å; F679-W821 HydrophobicContact CZ-CZ2 3.41Å; F679-W821 VanDerWaalsContact CZ-CZ2 3.41Å
680	K	61.5	Low	52.2	Low	110 Å²	110	57.7 Å²	57.7	48%	0.478	30%	0.303	S	S	.	.			trans	-50.4	129.9	172.9	-174.9	179.2	-178.6	178.8	0	109.3	R762 D871	K680-R762 PolarHBondContact O-NH1 3.44Å; K680-D871 VanDerWaalsContact CD-O 3.24Å; K680-D871 WeakPolarHBondContact CD-O 3.21Å; K680-D871 WeakPolarHBondContact CE-O 3.42Å; K680-D871 PolarHBondContact NZ-O 2.99Å
681	S	52.3	Low	52	Low	20 Å²	20	59.1 Å²	59.1	14%	0.14	32%	0.32	C	S	.	.			trans	-110.5	133.9	180	-168.2	0	0	0	0	112.2	R655 F679 F683 N686	R655-S681 VanDerWaalsContact NH1-CA 3.31Å; R655-S681 PolarHBondContact NH1-OG 3.35Å; F679-S681 PolarHBondContact O-N 2.84Å; S681-F683 PolarHBondContact OG-N 2.78Å; S681-N686 WeakPolarHBondContact CB-ND2 3.48Å; S681-N686 PolarHBondContact OG-ND2 3.22Å
682	S	49.7	Very low	51.5	Low	61 Å²	61	52.7 Å²	52.7	43%	0.427	30%	0.295	S	S	.	.			trans	-111.2	-2.2	172.2	42.4	0	0	0	0	111.9	E771	S682-E771 WeakPolarHBondContact CA-OE2 3.12Å; S682-E771 WeakPolarHBondContact CB-OE2 3.36Å; S682-E771 VanDerWaalsContact O-OE2 3.11Å; S682-E771 PolarHBondContact OG-OE2 3.11Å
683	F	55.7	Low	51.3	Low	11 Å²	11	59.4 Å²	59.4	5%	0.048	33%	0.33	C	S	.	.	S	Bend	trans	-82.5	129.6	179.5	-167.5	-147	0	0	0	111.3	M648 Y652 S681 I685 N686 L705 E771	M648-F683 HydrophobicContact CB-CD2 4.36Å; M648-F683 HydrophobicContact CB-CE2 4.13Å; M648-F683 HydrophobicContact CB-CZ 4.27Å; M648-F683 HydrophobicContact CE-CD2 3.19Å; M648-F683 HydrophobicContact CE-CE2 3.18Å; M648-F683 HydrophobicContact CE-CG 4.32Å; M648-F683 HydrophobicContact CE-CZ 4.24Å; Y652-F683 HydrophobicContact CD2-CD1 4.13Å; Y652-F683 HydrophobicContact CG-CD1 4.04Å; Y652-F683 HydrophobicContact CG-CE1 4.42Å; S681-F683 PolarHBondContact OG-N 2.78Å; F683-I685 HydrophobicContact CD1-CB 3.87Å; F683-I685 HydrophobicContact CD1-CD1 3.99Å; F683-I685 HydrophobicContact CD1-CG1 3.8Å; F683-I685 HydrophobicContact CE1-CB 4.07Å; F683-I685 HydrophobicContact CE1-CD1 3.27Å; F683-I685 HydrophobicContact CE1-CG1 3.49Å; F683-I685 VanDerWaalsContact CE1-CG1 3.49Å; F683-I685 HydrophobicContact CZ-CD1 3.81Å; F683-I685 HydrophobicContact CZ-CG1 3.94Å; F683-I685 PolarHBondContact O-N 2.93Å; F683-N686 WeakPolarHBondContact O-CB 3.45Å; F683-N686 PolarHBondContact O-N 3.37Å; F683-N686 PolarHBondContact O-ND2 3.17Å; F683-L705 HydrophobicContact CE1-CD2 4.24Å; F683-L705 HydrophobicContact CE2-CD2 4.35Å; F683-L705 HydrophobicContact CZ-CD2 3.47Å; F683-L705 VanDerWaalsContact CZ-CD2 3.47Å; F683-E771 WeakPolarHBondContact CA-OE1 3.39Å; F683-E771 WeakPolarHBondContact CB-OE1 3.18Å; F683-E771 HydrophobicContact CD2-CG 4.37Å; F683-E771 PolarHBondContact N-OE1 3.49Å; F683-E771 PolarHBondContact N-OE2 3.16Å
684	E	48.6	Very low	51.3	Low	152 Å²	152	59.5 Å²	59.5	71%	0.71	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-49.2	-30.1	-178	-68.6	-175.9	162.8	0	0	114.5	N686 T687	E684-N686 PolarHBondContact O-N 3.34Å; E684-T687 PolarHBondContact O-N 3.26Å; E684-T687 PolarHBondContact O-OG1 3.38Å
685	I	51.4	Low	51.7	Low	13 Å²	13	63.2 Å²	63.2	7%	0.067	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-57.4	-18.4	174.7	-59	-170.1	0	0	0	112.1	L649 Y652 F683 V698 L705	L649-I685 HydrophobicContact CD1-CD1 4.4Å; Y652-I685 HydrophobicContact CE1-CG2 4.13Å; Y652-I685 HydrophobicContact CE2-CG2 4.16Å; F683-I685 HydrophobicContact CD1-CB 3.87Å; F683-I685 HydrophobicContact CD1-CD1 3.99Å; F683-I685 HydrophobicContact CD1-CG1 3.8Å; F683-I685 HydrophobicContact CE1-CB 4.07Å; F683-I685 HydrophobicContact CE1-CD1 3.27Å; F683-I685 HydrophobicContact CE1-CG1 3.49Å; F683-I685 VanDerWaalsContact CE1-CG1 3.49Å; F683-I685 HydrophobicContact CZ-CD1 3.81Å; F683-I685 HydrophobicContact CZ-CG1 3.94Å; F683-I685 PolarHBondContact O-N 2.93Å; I685-V698 HydrophobicContact CG2-CG1 4.09Å; I685-L705 HydrophobicContact CD1-CD2 3.97Å
686	N	49.8	Very low	52.1	Low	7 Å²	7	68.7 Å²	68.7	4%	0.037	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-94.7	-15.9	177.5	-57.4	-95.1	0	0	0	114	Y652 S681 F683 E684 V688 G689 N690	Y652-N686 WeakPolarHBondContact CE2-OD1 3.21Å; S681-N686 WeakPolarHBondContact CB-ND2 3.48Å; S681-N686 PolarHBondContact OG-ND2 3.22Å; F683-N686 WeakPolarHBondContact O-CB 3.45Å; F683-N686 PolarHBondContact O-N 3.37Å; F683-N686 PolarHBondContact O-ND2 3.17Å; E684-N686 PolarHBondContact O-N 3.34Å; N686-V688 PolarHBondContact O-N 3.21Å; N686-G689 PolarHBondContact O-N 2.86Å; N686-G689 VanDerWaalsContact O-N 3.15Å; N686-N690 WeakPolarHBondContact O-CB 3.34Å; N686-N690 PolarHBondContact O-N 3.44Å
687	T	45.8	Very low	51.9	Low	123 Å²	123	71 Å²	71	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.3	170	59.3	0	0	0	0	110.4	E684	E684-T687 PolarHBondContact O-N 3.26Å; E684-T687 PolarHBondContact O-OG1 3.38Å
688	V	44	Very low	51.9	Low	46 Å²	46	71.5 Å²	71.5	28%	0.279	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-19.1	174.6	-174	0	0	0	0	112.6	N686 S692 L697 Y701	N686-V688 PolarHBondContact O-N 3.21Å; V688-S692 PolarHBondContact O-OG 3.19Å; V688-L697 HydrophobicContact CG1-CD2 3.37Å; V688-L697 HydrophobicContact CG1-CG 3.8Å; V688-Y701 HydrophobicContact CB-CD2 4.47Å; V688-Y701 HydrophobicContact CB-CE2 4.43Å; V688-Y701 HydrophobicContact CG1-CD2 3.91Å; V688-Y701 HydrophobicContact CG1-CE2 3.64Å; V688-Y701 HydrophobicContact CG2-CD2 4.47Å; V688-Y701 HydrophobicContact CG2-CE2 4.23Å
689	G	39.5	Very low	52.2	Low	21 Å²	21	78.2 Å²	78.2	22%	0.216	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137	5.6	-161.6	0	0	0	0	0	118	N686	N686-G689 PolarHBondContact O-N 2.86Å; N686-G689 VanDerWaalsContact O-N 3.15Å
690	N	42.1	Very low	52.6	Low	82 Å²	82	81.3 Å²	81.3	44%	0.439	42%	0.42	S	S	.	.	S	Bend	trans	-84.6	-21.2	173.1	-91.7	-11.6	0	0	0	113.2	N686	N686-N690 WeakPolarHBondContact O-CB 3.34Å; N686-N690 PolarHBondContact O-N 3.44Å
691	D	41.9	Very low	52.9	Low	162 Å²	162	80.6 Å²	80.6	87%	0.866	42%	0.415	S	S	*	.	S	Bend	trans	-117.4	-4.9	177.5	-70.9	-27.8	0	0	0	113.6
692	S	38.7	Very low	54	Low	45 Å²	45	81.5 Å²	81.5	32%	0.315	42%	0.417	S	S	.	.			trans	-108.7	125.8	179.6	74.2	0	0	0	0	110.5	V688 D694	V688-S692 PolarHBondContact O-OG 3.19Å; S692-D694 PolarHBondContact O-N 2.96Å
693	D	46.4	Very low	55.2	Low	169 Å²	169	81.9 Å²	81.9	90%	0.904	42%	0.417	S	S	*	.			trans	-62.4	8.5	168.5	-85.5	-43.9	0	0	0	113.4	R695	D693-R695 VanDerWaalsContact C-N 3.27Å; D693-R695 PolarHBondContact O-N 3.27Å
694	D	54.4	Low	56.1	Low	83 Å²	83	84.2 Å²	84.2	44%	0.444	43%	0.428	S	S	.	.			trans	-87.5	66.4	-168.4	-131	-13.3	0	0	0	111.3	S692 I696 L697 V698	S692-D694 PolarHBondContact O-N 2.96Å; D694-I696 PolarHBondContact O-N 3.47Å; D694-L697 HydrophobicContact CB-CB 4.03Å; D694-L697 WeakPolarHBondContact O-CB 3.43Å; D694-L697 PolarHBondContact O-N 2.8Å; D694-V698 PolarHBondContact O-N 2.82Å; D694-V698 VanDerWaalsContact O-N 3.16Å
695	R	62.3	Low	57.5	Low	184 Å²	184	78.7 Å²	78.7	69%	0.694	40%	0.403	S	S	*	.	H	α-helix	trans	-49.9	-27.8	175.2	-64.8	-176.5	-177.7	-173.5	3.2	112.5	D693 K699	D693-R695 VanDerWaalsContact C-N 3.27Å; D693-R695 PolarHBondContact O-N 3.27Å; R695-K699 WeakPolarHBondContact O-CB 3.46Å; R695-K699 PolarHBondContact O-N 2.86Å; R695-K699 VanDerWaalsContact O-N 3.12Å
696	I	60	Low	59	Low	132 Å²	132	81.5 Å²	81.5	68%	0.677	42%	0.415	S	S	*	.	H	α-helix	trans	-68.5	-49.4	177.7	-61	176.2	0	0	0	110.2	D694 K699 F700	D694-I696 PolarHBondContact O-N 3.47Å; I696-K699 PolarHBondContact O-N 2.78Å; I696-F700 WeakPolarHBondContact O-CB 3.4Å; I696-F700 PolarHBondContact O-N 3.38Å
697	L	58.7	Low	60.3	Low	61 Å²	61	85 Å²	85	32%	0.319	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-45.3	-179.3	-170.8	64.8	0	0	0	111.1	V688 D694 K699 F700 Y701	V688-L697 HydrophobicContact CG1-CD2 3.37Å; V688-L697 HydrophobicContact CG1-CG 3.8Å; D694-L697 HydrophobicContact CB-CB 4.03Å; D694-L697 WeakPolarHBondContact O-CB 3.43Å; D694-L697 PolarHBondContact O-N 2.8Å; L697-K699 PolarHBondContact O-N 3.02Å; L697-F700 WeakPolarHBondContact O-CB 3.21Å; L697-F700 PolarHBondContact O-N 3.23Å; L697-F700 VanDerWaalsContact O-N 3.16Å; L697-Y701 HydrophobicContact CD1-CD2 4.16Å; L697-Y701 HydrophobicContact CD1-CE2 3.59Å; L697-Y701 HydrophobicContact CD2-CE2 4.27Å; L697-Y701 HydrophobicContact CG-CD2 3.96Å; L697-Y701 HydrophobicContact CG-CE2 3.65Å; L697-Y701 WeakPolarHBondContact O-CD2 3.18Å; L697-Y701 PolarHBondContact O-N 3.45Å
698	V	63.2	Low	61.9	Low	18 Å²	18	84 Å²	84	11%	0.109	42%	0.422	C	S	.	.	H	α-helix	trans	-58.7	-47	175.7	173.6	0	0	0	0	111.6	Y652 I685 D694 F700 Y701 E702	Y652-V698 WeakPolarHBondContact OH-CG1 3.5Å; I685-V698 HydrophobicContact CG2-CG1 4.09Å; D694-V698 PolarHBondContact O-N 2.82Å; D694-V698 VanDerWaalsContact O-N 3.16Å; V698-F700 VanDerWaalsContact C-N 3.28Å; V698-F700 PolarHBondContact O-N 2.99Å; V698-Y701 PolarHBondContact O-N 3.39Å; V698-E702 WeakPolarHBondContact O-CB 3.26Å; V698-E702 PolarHBondContact O-N 3.4Å
699	K	69.3	Low	63.7	Low	142 Å²	142	81.9 Å²	81.9	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-65.8	-32.1	177.9	-173	175.5	-177	177.8	0	112.3	R695 I696 L697 T703	R695-K699 WeakPolarHBondContact O-CB 3.46Å; R695-K699 PolarHBondContact O-N 2.86Å; R695-K699 VanDerWaalsContact O-N 3.12Å; I696-K699 PolarHBondContact O-N 2.78Å; L697-K699 PolarHBondContact O-N 3.02Å; K699-T703 WeakPolarHBondContact O-CB 3.17Å; K699-T703 PolarHBondContact O-N 3.02Å; K699-T703 PolarHBondContact O-OG1 3.5Å
700	F	69.6	Low	65.9	Low	65 Å²	65	82.2 Å²	82.2	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-65.7	-52.4	174.8	177	-98.8	0	0	0	111.1	D110 I696 L697 V698 E702 T703 Q704	D110-F700 HydrophobicContact CB-CE2 4.22Å; I696-F700 WeakPolarHBondContact O-CB 3.4Å; I696-F700 PolarHBondContact O-N 3.38Å; L697-F700 WeakPolarHBondContact O-CB 3.21Å; L697-F700 PolarHBondContact O-N 3.23Å; L697-F700 VanDerWaalsContact O-N 3.16Å; V698-F700 VanDerWaalsContact C-N 3.28Å; V698-F700 PolarHBondContact O-N 2.99Å; F700-E702 VanDerWaalsContact C-N 3.34Å; F700-E702 PolarHBondContact O-N 3.32Å; F700-T703 PolarHBondContact O-N 3.49Å; F700-T703 VanDerWaalsContact O-N 3.11Å; F700-Q704 HydrophobicContact CD1-CG 4.4Å; F700-Q704 HydrophobicContact CE1-CG 4.19Å; F700-Q704 HydrophobicContact CZ-CG 4.29Å; F700-Q704 WeakPolarHBondContact O-CG 3.24Å; F700-Q704 PolarHBondContact O-N 3.29Å
701	Y	68.4	Low	67.6	Low	96 Å²	96	79.8 Å²	79.8	38%	0.376	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-42	175.5	-78.8	-70.8	0	0	0	112.6	V688 L697 V698 T703 Q704 L705	V688-Y701 HydrophobicContact CB-CD2 4.47Å; V688-Y701 HydrophobicContact CB-CE2 4.43Å; V688-Y701 HydrophobicContact CG1-CD2 3.91Å; V688-Y701 HydrophobicContact CG1-CE2 3.64Å; V688-Y701 HydrophobicContact CG2-CD2 4.47Å; V688-Y701 HydrophobicContact CG2-CE2 4.23Å; L697-Y701 HydrophobicContact CD1-CD2 4.16Å; L697-Y701 HydrophobicContact CD1-CE2 3.59Å; L697-Y701 HydrophobicContact CD2-CE2 4.27Å; L697-Y701 HydrophobicContact CG-CD2 3.96Å; L697-Y701 HydrophobicContact CG-CE2 3.65Å; L697-Y701 WeakPolarHBondContact O-CD2 3.18Å; L697-Y701 PolarHBondContact O-N 3.45Å; V698-Y701 PolarHBondContact O-N 3.39Å; Y701-T703 VanDerWaalsContact C-N 3.31Å; Y701-T703 PolarHBondContact O-N 2.74Å; Y701-Q704 PolarHBondContact O-N 3.01Å; Y701-L705 WeakPolarHBondContact O-CB 3.16Å; Y701-L705 PolarHBondContact O-N 2.93Å
702	E	73.5	Confident	69.5	Low	39 Å²	39	73.3 Å²	73.3	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-44.9	174	-171.2	-156.5	128.8	0	0	111.6	L649 K653 V698 F700 K706	L649-E702 HydrophobicContact CD1-CG 3.72Å; K653-E702 WeakPolarHBondContact CE-OE1 3.48Å; K653-E702 IonicContact NZ-OE1 2.93Å; K653-E702 PolarHBondContact NZ-OE1 3.29Å; V698-E702 WeakPolarHBondContact O-CB 3.26Å; V698-E702 PolarHBondContact O-N 3.4Å; F700-E702 VanDerWaalsContact C-N 3.34Å; F700-E702 PolarHBondContact O-N 3.32Å; E702-K706 WeakPolarHBondContact O-CB 3.23Å; E702-K706 PolarHBondContact O-N 2.86Å
703	T	76.9	Confident	71.6	Confident	69 Å²	69	71.2 Å²	71.2	42%	0.423	34%	0.34	S	S	.	.	H	α-helix	trans	-68.2	-41.6	-179.8	-58.3	0	0	0	0	111.3	K699 F700 Y701 T707	K699-T703 WeakPolarHBondContact O-CB 3.17Å; K699-T703 PolarHBondContact O-N 3.02Å; K699-T703 PolarHBondContact O-OG1 3.5Å; F700-T703 PolarHBondContact O-N 3.49Å; F700-T703 VanDerWaalsContact O-N 3.11Å; Y701-T703 VanDerWaalsContact C-N 3.31Å; Y701-T703 PolarHBondContact O-N 2.74Å; T703-T707 VanDerWaalsContact O-CB 3.31Å; T703-T707 WeakPolarHBondContact O-CB 3.39Å; T703-T707 PolarHBondContact O-N 2.84Å; T703-T707 PolarHBondContact O-OG1 3.42Å
704	Q	73.6	Confident	73.3	Confident	59 Å²	59	63.8 Å²	63.8	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-51.5	176	-74.9	-168.1	-21.3	0	0	111.9	F700 Y701 K706 T707 K708	F700-Q704 HydrophobicContact CD1-CG 4.4Å; F700-Q704 HydrophobicContact CE1-CG 4.19Å; F700-Q704 HydrophobicContact CZ-CG 4.29Å; F700-Q704 WeakPolarHBondContact O-CG 3.24Å; F700-Q704 PolarHBondContact O-N 3.29Å; Y701-Q704 PolarHBondContact O-N 3.01Å; Q704-K706 VanDerWaalsContact C-N 3.34Å; Q704-K706 PolarHBondContact O-N 2.95Å; Q704-T707 PolarHBondContact O-N 2.89Å; Q704-T707 VanDerWaalsContact O-N 3.15Å; Q704-K708 WeakPolarHBondContact O-CB 3.35Å; Q704-K708 PolarHBondContact O-N 3.26Å
705	L	77.8	Confident	74.4	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-45.5	-179.7	-176.5	68.9	0	0	0	111	F683 I685 Y701 T707 K708 I709	F683-L705 HydrophobicContact CE1-CD2 4.24Å; F683-L705 HydrophobicContact CE2-CD2 4.35Å; F683-L705 HydrophobicContact CZ-CD2 3.47Å; F683-L705 VanDerWaalsContact CZ-CD2 3.47Å; I685-L705 HydrophobicContact CD1-CD2 3.97Å; Y701-L705 WeakPolarHBondContact O-CB 3.16Å; Y701-L705 PolarHBondContact O-N 2.93Å; L705-T707 VanDerWaalsContact C-N 3.28Å; L705-T707 PolarHBondContact O-N 3.43Å; L705-K708 PolarHBondContact O-N 3.43Å; L705-I709 HydrophobicContact CD1-CD1 4.27Å; L705-I709 HydrophobicContact CD1-CG1 4.46Å; L705-I709 HydrophobicContact CD2-CD1 4.38Å; L705-I709 HydrophobicContact CG-CD1 3.84Å; L705-I709 HydrophobicContact CG-CG1 4.44Å; L705-I709 VanDerWaalsContact O-CG1 3.25Å; L705-I709 WeakPolarHBondContact O-CG1 3.4Å; L705-I709 PolarHBondContact O-N 3.33Å
706	K	82.2	Confident	75.1	Confident	72 Å²	72	54.6 Å²	54.6	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-56.9	-43.3	175.5	-176.4	-176.5	172	-166.4	0	111.9	L649 E702 Q704 Y710	L649-K706 HydrophobicContact CD2-CB 3.81Å; L649-K706 HydrophobicContact CD2-CG 4.14Å; E702-K706 WeakPolarHBondContact O-CB 3.23Å; E702-K706 PolarHBondContact O-N 2.86Å; Q704-K706 VanDerWaalsContact C-N 3.34Å; Q704-K706 PolarHBondContact O-N 2.95Å; K706-Y710 HydrophobicContact CD-CE2 3.97Å; K706-Y710 HydrophobicContact CG-CD2 3.79Å; K706-Y710 HydrophobicContact CG-CE2 3.4Å; K706-Y710 WeakPolarHBondContact O-CB 3.5Å; K706-Y710 VanDerWaalsContact O-CD2 3.29Å; K706-Y710 WeakPolarHBondContact O-CD2 3.34Å; K706-Y710 PolarHBondContact O-N 3.2Å; K706-Y710 VanDerWaalsContact O-N 3.14Å
707	T	77.9	Confident	76	Confident	82 Å²	82	48.3 Å²	48.3	50%	0.503	23%	0.23	S	C	.	.	H	α-helix	trans	-68	-45.5	-178.9	-57.2	0	0	0	0	110.7	T703 Q704 L705 Y710 Y711	T703-T707 VanDerWaalsContact O-CB 3.31Å; T703-T707 WeakPolarHBondContact O-CB 3.39Å; T703-T707 PolarHBondContact O-N 2.84Å; T703-T707 PolarHBondContact O-OG1 3.42Å; Q704-T707 PolarHBondContact O-N 2.89Å; Q704-T707 VanDerWaalsContact O-N 3.15Å; L705-T707 VanDerWaalsContact C-N 3.28Å; L705-T707 PolarHBondContact O-N 3.43Å; T707-Y710 PolarHBondContact O-N 3.1Å; T707-Y711 WeakPolarHBondContact O-CB 3.42Å; T707-Y711 PolarHBondContact O-N 2.8Å
708	K	79.9	Confident	76.9	Confident	102 Å²	102	48.6 Å²	48.6	44%	0.443	23%	0.229	S	C	.	.	H	α-helix	trans	-55.1	-55	174.7	-178.3	-176.2	177.2	-169.8	0	111.3	Q704 L705 Y710 Y711 D712	Q704-K708 WeakPolarHBondContact O-CB 3.35Å; Q704-K708 PolarHBondContact O-N 3.26Å; L705-K708 PolarHBondContact O-N 3.43Å; K708-Y710 VanDerWaalsContact C-N 3.33Å; K708-Y710 PolarHBondContact O-N 3.1Å; K708-Y711 PolarHBondContact O-N 2.74Å; K708-D712 VanDerWaalsContact CG-OD2 3.3Å; K708-D712 WeakPolarHBondContact CG-OD2 3.34Å; K708-D712 WeakPolarHBondContact O-CB 3.22Å; K708-D712 VanDerWaalsContact O-CG 3.22Å; K708-D712 PolarHBondContact O-N 3.42Å
709	I	81.8	Confident	77.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-53.7	-50.1	179.6	-69	166.7	0	0	0	111.3	Q645 W646 L705 L713	Q645-I709 HydrophobicContact CB-CD1 3.83Å; Q645-I709 HydrophobicContact CB-CG1 4.28Å; W646-I709 HydrophobicContact CB-CD1 4.37Å; W646-I709 HydrophobicContact CB-CG2 3.98Å; L705-I709 HydrophobicContact CD1-CD1 4.27Å; L705-I709 HydrophobicContact CD1-CG1 4.46Å; L705-I709 HydrophobicContact CD2-CD1 4.38Å; L705-I709 HydrophobicContact CG-CD1 3.84Å; L705-I709 HydrophobicContact CG-CG1 4.44Å; L705-I709 VanDerWaalsContact O-CG1 3.25Å; L705-I709 WeakPolarHBondContact O-CG1 3.4Å; L705-I709 PolarHBondContact O-N 3.33Å; I709-L713 HydrophobicContact CG2-CD1 3.85Å; I709-L713 VanDerWaalsContact O-CB 3.28Å; I709-L713 WeakPolarHBondContact O-CB 3.31Å; I709-L713 WeakPolarHBondContact O-CG 3.48Å; I709-L713 PolarHBondContact O-N 3.21Å
710	Y	85.2	Confident	77.3	Confident	29 Å²	29	46.2 Å²	46.2	11%	0.114	22%	0.222	C	C	.	.	H	α-helix	trans	-73.2	-32.1	-175.3	-63.9	-20.5	0	0	0	113.5	W646 K706 T707 K708 F714 P735 V737	W646-Y710 AromaticContact CD1-CE1 3.74Å; K706-Y710 HydrophobicContact CD-CE2 3.97Å; K706-Y710 HydrophobicContact CG-CD2 3.79Å; K706-Y710 HydrophobicContact CG-CE2 3.4Å; K706-Y710 WeakPolarHBondContact O-CB 3.5Å; K706-Y710 VanDerWaalsContact O-CD2 3.29Å; K706-Y710 WeakPolarHBondContact O-CD2 3.34Å; K706-Y710 PolarHBondContact O-N 3.2Å; K706-Y710 VanDerWaalsContact O-N 3.14Å; T707-Y710 PolarHBondContact O-N 3.1Å; K708-Y710 VanDerWaalsContact C-N 3.33Å; K708-Y710 PolarHBondContact O-N 3.1Å; Y710-F714 VanDerWaalsContact O-CB 3.26Å; Y710-F714 WeakPolarHBondContact O-CB 3.29Å; Y710-F714 PolarHBondContact O-N 3.43Å; Y710-P735 HydrophobicContact CD1-CB 4.48Å; Y710-P735 HydrophobicContact CD2-CB 3.46Å; Y710-P735 VanDerWaalsContact CD2-CB 3.46Å; Y710-P735 HydrophobicContact CD2-CG 3.2Å; Y710-P735 HydrophobicContact CE2-CB 3.94Å; Y710-P735 HydrophobicContact CE2-CG 3.66Å; Y710-P735 WeakPolarHBondContact CE2-O 3.24Å; Y710-P735 HydrophobicContact CG-CB 3.73Å; Y710-P735 HydrophobicContact CG-CG 3.95Å; Y710-V737 HydrophobicContact CD1-CG2 4.19Å; Y710-V737 HydrophobicContact CE1-CG2 3.76Å
711	Y	78.2	Confident	77.4	Confident	30 Å²	30	43.8 Å²	43.8	12%	0.118	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-51.7	175	-179.1	-101.1	0	0	0	110.9	F133 T707 K708 L713 F714 E715	F133-Y711 HydrophobicContact CB-CE2 3.76Å; F133-Y711 HydrophobicContact CD1-CD2 4.17Å; F133-Y711 AromaticContact CD1-CE2 3.95Å; F133-Y711 HydrophobicContact CD1-CE2 3.95Å; F133-Y711 AromaticContact CD2-CD2 4Å; F133-Y711 HydrophobicContact CD2-CD2 4Å; F133-Y711 AromaticContact CD2-CE2 3.24Å; F133-Y711 HydrophobicContact CD2-CE2 3.24Å; F133-Y711 HydrophobicContact CE1-CD2 4.2Å; F133-Y711 HydrophobicContact CE1-CE2 4.32Å; F133-Y711 AromaticContact CE2-CD2 4Å; F133-Y711 HydrophobicContact CE2-CD2 4Å; F133-Y711 AromaticContact CE2-CE2 3.65Å; F133-Y711 HydrophobicContact CE2-CE2 3.65Å; F133-Y711 HydrophobicContact CG-CD2 4.04Å; F133-Y711 AromaticContact CG-CE2 3.37Å; F133-Y711 HydrophobicContact CG-CE2 3.37Å; F133-Y711 HydrophobicContact CZ-CD2 4.1Å; F133-Y711 HydrophobicContact CZ-CE2 4.17Å; T707-Y711 WeakPolarHBondContact O-CB 3.42Å; T707-Y711 PolarHBondContact O-N 2.8Å; K708-Y711 PolarHBondContact O-N 2.74Å; Y711-L713 VanDerWaalsContact C-N 3.33Å; Y711-L713 PolarHBondContact O-N 3.17Å; Y711-F714 WeakPolarHBondContact O-CA 3.3Å; Y711-F714 WeakPolarHBondContact O-CB 3.46Å; Y711-F714 PolarHBondContact O-N 2.84Å; Y711-E715 HydrophobicContact CD1-CG 4.3Å; Y711-E715 HydrophobicContact CE1-CG 3.75Å; Y711-E715 WeakPolarHBondContact CE1-OE1 3.5Å; Y711-E715 HydrophobicContact CE2-CG 4.22Å; Y711-E715 PolarHBondContact O-N 3.03Å; Y711-E715 PolarHBondContact OH-OE1 3.24Å
712	D	81.6	Confident	77.7	Confident	27 Å²	27	48.3 Å²	48.3	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-179.2	-64.1	-16.3	0	0	0	110.5	H130 L642 K708 F714 E715 I716	H130-D712 IonicContact CE1-OD1 3.93Å; L642-D712 HydrophobicContact CD1-CB 3.57Å; L642-D712 HydrophobicContact CD2-CB 3.97Å; L642-D712 HydrophobicContact CG-CB 4.45Å; K708-D712 VanDerWaalsContact CG-OD2 3.3Å; K708-D712 WeakPolarHBondContact CG-OD2 3.34Å; K708-D712 WeakPolarHBondContact O-CB 3.22Å; K708-D712 VanDerWaalsContact O-CG 3.22Å; K708-D712 PolarHBondContact O-N 3.42Å; D712-F714 VanDerWaalsContact C-N 3.33Å; D712-F714 PolarHBondContact O-N 2.77Å; D712-E715 PolarHBondContact O-N 3.49Å; D712-I716 WeakPolarHBondContact O-CD1 3.41Å; D712-I716 WeakPolarHBondContact O-CG1 3.24Å; D712-I716 PolarHBondContact O-N 3.09Å
713	L	83.1	Confident	77.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-37.9	172.4	-75	172.8	0	0	0	112.6	V639 L642 L643 I709 Y711 V717 V737	V639-L713 HydrophobicContact CG1-CD2 4.15Å; L642-L713 HydrophobicContact CB-CD2 4.26Å; L642-L713 HydrophobicContact CB-CG 4.34Å; L642-L713 HydrophobicContact CD1-CD2 4.34Å; L642-L713 HydrophobicContact CD1-CG 4.38Å; L643-L713 HydrophobicContact CD2-CD1 3.96Å; L643-L713 HydrophobicContact CD2-CD2 4.17Å; L643-L713 HydrophobicContact CG-CD2 4.3Å; I709-L713 HydrophobicContact CG2-CD1 3.85Å; I709-L713 VanDerWaalsContact O-CB 3.28Å; I709-L713 WeakPolarHBondContact O-CB 3.31Å; I709-L713 WeakPolarHBondContact O-CG 3.48Å; I709-L713 PolarHBondContact O-N 3.21Å; Y711-L713 VanDerWaalsContact C-N 3.33Å; Y711-L713 PolarHBondContact O-N 3.17Å; L713-V717 WeakPolarHBondContact O-CB 3.35Å; L713-V717 VanDerWaalsContact O-CG2 3.23Å; L713-V717 WeakPolarHBondContact O-CG2 3.48Å; L713-V717 PolarHBondContact O-N 3.44Å; L713-V717 VanDerWaalsContact O-N 3.12Å; L713-V737 HydrophobicContact CD1-CG2 3.86Å
714	F	82.2	Confident	78	Confident	14 Å²	14	48.3 Å²	48.3	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-45.6	177.5	-177.8	-106.7	0	0	0	111.7	Y710 Y711 D712 I716 V717 Q718 W723 K728 W731 L732	Y710-F714 VanDerWaalsContact O-CB 3.26Å; Y710-F714 WeakPolarHBondContact O-CB 3.29Å; Y710-F714 PolarHBondContact O-N 3.43Å; Y711-F714 WeakPolarHBondContact O-CA 3.3Å; Y711-F714 WeakPolarHBondContact O-CB 3.46Å; Y711-F714 PolarHBondContact O-N 2.84Å; D712-F714 VanDerWaalsContact C-N 3.33Å; D712-F714 PolarHBondContact O-N 2.77Å; F714-I716 PolarHBondContact O-N 3Å; F714-V717 PolarHBondContact O-N 3.17Å; F714-V717 VanDerWaalsContact O-N 3.12Å; F714-Q718 HydrophobicContact CD1-CB 4.48Å; F714-Q718 HydrophobicContact CD2-CB 4.45Å; F714-Q718 HydrophobicContact CE1-CB 4.11Å; F714-Q718 HydrophobicContact CE2-CB 4.1Å; F714-Q718 HydrophobicContact CZ-CB 3.92Å; F714-Q718 VanDerWaalsContact O-CB 3.26Å; F714-Q718 WeakPolarHBondContact O-CB 3.34Å; F714-Q718 WeakPolarHBondContact O-CG 3.45Å; F714-Q718 PolarHBondContact O-N 3.38Å; F714-W723 HydrophobicContact CD2-CZ2 4.46Å; F714-W723 HydrophobicContact CE2-CZ2 4.45Å; F714-K728 HydrophobicContact CE2-CG 4.49Å; F714-K728 HydrophobicContact CZ-CG 4.26Å; F714-W731 AromaticContact CD2-CD1 3.19Å; F714-W731 HydrophobicContact CD2-CG 4.11Å; F714-W731 AromaticContact CD2-NE1 3.33Å; F714-W731 VanDerWaalsContact CD2-NE1 3.33Å; F714-W731 AromaticContact CE2-CD1 3.78Å; F714-W731 AromaticContact CG-CD1 3.87Å; F714-W731 AromaticContact CG-NE1 3.69Å; F714-L732 HydrophobicContact CE1-CD2 4.35Å; F714-L732 HydrophobicContact CZ-CD2 4.43Å
715	E	77.1	Confident	78.3	Confident	56 Å²	56	51.8 Å²	51.8	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-56	-37.2	177.6	-78.5	-160.1	155.4	0	0	111.8	Y711 D712 Q718	Y711-E715 HydrophobicContact CD1-CG 4.3Å; Y711-E715 HydrophobicContact CE1-CG 3.75Å; Y711-E715 WeakPolarHBondContact CE1-OE1 3.5Å; Y711-E715 HydrophobicContact CE2-CG 4.22Å; Y711-E715 PolarHBondContact O-N 3.03Å; Y711-E715 PolarHBondContact OH-OE1 3.24Å; D712-E715 PolarHBondContact O-N 3.49Å; E715-Q718 PolarHBondContact O-NE2 3.17Å
716	I	76.3	Confident	78.5	Confident	18 Å²	18	57.5 Å²	57.5	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-72.7	-39.8	179	-67.1	166	0	0	0	111.7	V634 V639 L642 D712 F714 I720	V634-I716 HydrophobicContact CG1-CB 4.46Å; V634-I716 HydrophobicContact CG1-CD1 3.87Å; V634-I716 HydrophobicContact CG1-CG1 3.88Å; V634-I716 HydrophobicContact CG1-CG2 3.76Å; V634-I716 HydrophobicContact CG2-CG1 4.09Å; V639-I716 HydrophobicContact CG2-CD1 3.96Å; V639-I716 HydrophobicContact CG2-CG2 4.09Å; L642-I716 HydrophobicContact CD1-CD1 4.13Å; D712-I716 WeakPolarHBondContact O-CD1 3.41Å; D712-I716 WeakPolarHBondContact O-CG1 3.24Å; D712-I716 PolarHBondContact O-N 3.09Å; F714-I716 PolarHBondContact O-N 3Å; I716-I720 WeakPolarHBondContact O-CD1 3.41Å
717	V	78.4	Confident	78.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-99.6	-16.1	-167.8	-174.8	0	0	0	0	113.9	F615 L713 F714 D719 I720 V721 W723 L740	F615-V717 HydrophobicContact CE2-CG1 4.45Å; F615-V717 HydrophobicContact CE2-CG2 3.85Å; F615-V717 HydrophobicContact CZ-CG2 3.42Å; F615-V717 VanDerWaalsContact CZ-CG2 3.42Å; L713-V717 WeakPolarHBondContact O-CB 3.35Å; L713-V717 VanDerWaalsContact O-CG2 3.23Å; L713-V717 WeakPolarHBondContact O-CG2 3.48Å; L713-V717 PolarHBondContact O-N 3.44Å; L713-V717 VanDerWaalsContact O-N 3.12Å; F714-V717 PolarHBondContact O-N 3.17Å; F714-V717 VanDerWaalsContact O-N 3.12Å; V717-D719 PolarHBondContact O-N 3.06Å; V717-D719 VanDerWaalsContact O-N 3.13Å; V717-I720 PolarHBondContact O-N 2.86Å; V717-V721 HydrophobicContact CG1-CB 4.13Å; V717-V721 HydrophobicContact CG1-CG2 3.34Å; V717-V721 PolarHBondContact O-N 3.41Å; V717-V721 VanDerWaalsContact O-N 3.08Å; V717-W723 HydrophobicContact CG1-CZ2 4.28Å; V717-L740 HydrophobicContact CB-CD1 4.22Å; V717-L740 HydrophobicContact CG1-CD1 3.7Å; V717-L740 HydrophobicContact CG1-CG 4.42Å; V717-L740 HydrophobicContact CG2-CD2 4.22Å
718	Q	77.8	Confident	78.6	Confident	66 Å²	66	56.9 Å²	56.9	31%	0.308	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.4	-176.2	62.9	-178.8	-23.5	0	0	113.4	F714 E715 W723	F714-Q718 HydrophobicContact CD1-CB 4.48Å; F714-Q718 HydrophobicContact CD2-CB 4.45Å; F714-Q718 HydrophobicContact CE1-CB 4.11Å; F714-Q718 HydrophobicContact CE2-CB 4.1Å; F714-Q718 HydrophobicContact CZ-CB 3.92Å; F714-Q718 VanDerWaalsContact O-CB 3.26Å; F714-Q718 WeakPolarHBondContact O-CB 3.34Å; F714-Q718 WeakPolarHBondContact O-CG 3.45Å; F714-Q718 PolarHBondContact O-N 3.38Å; E715-Q718 PolarHBondContact O-NE2 3.17Å; Q718-W723 VanDerWaalsContact O-CD1 3.28Å; Q718-W723 PolarHBondContact O-NE1 2.86Å
719	D	70	Confident	78.5	Confident	81 Å²	81	55.9 Å²	55.9	43%	0.433	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-16.3	-178.2	-67	-14.3	0	0	0	112.7	H622 Y629 V717	H622-D719 PolarHBondContact CE1-O 3.38Å; H622-D719 PolarHBondContact NE2-O 3.43Å; H622-D719 VanDerWaalsContact NE2-O 3.08Å; Y629-D719 HydrophobicContact CE2-CB 3.75Å; Y629-D719 WeakPolarHBondContact CE2-OD2 3.4Å; Y629-D719 VanDerWaalsContact CZ-OD2 3.3Å; Y629-D719 WeakPolarHBondContact OH-CB 3.35Å; Y629-D719 VanDerWaalsContact OH-CG 3.27Å; Y629-D719 PolarHBondContact OH-OD2 3.27Å; V717-D719 PolarHBondContact O-N 3.06Å; V717-D719 VanDerWaalsContact O-N 3.13Å
720	I	71.8	Confident	78.4	Confident	29 Å²	29	58.7 Å²	58.7	15%	0.149	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-37.7	-177.4	-56.7	178.4	0	0	0	111	I619 H622 I716 V717	I619-I720 HydrophobicContact CB-CD1 4.1Å; I619-I720 HydrophobicContact CG1-CD1 3.7Å; I619-I720 HydrophobicContact CG2-CD1 3.96Å; H622-I720 HydrophobicContact CB-CG1 4.35Å; H622-I720 HydrophobicContact CB-CG2 4.11Å; I716-I720 WeakPolarHBondContact O-CD1 3.41Å; V717-I720 PolarHBondContact O-N 2.86Å
721	V	71.7	Confident	78.1	Confident	14 Å²	14	57.6 Å²	57.6	9%	0.085	28%	0.279	C	S	.	.	S	Bend	trans	-93.1	133.7	-178.8	170.2	0	0	0	0	109.6	V717 W723 L744	V717-V721 HydrophobicContact CG1-CB 4.13Å; V717-V721 HydrophobicContact CG1-CG2 3.34Å; V717-V721 PolarHBondContact O-N 3.41Å; V717-V721 VanDerWaalsContact O-N 3.08Å; V721-W723 VanDerWaalsContact C-N 3.3Å; V721-W723 HydrophobicContact CB-CD2 4.41Å; V721-W723 HydrophobicContact CB-CG 4.45Å; V721-W723 HydrophobicContact CB-CZ2 4.26Å; V721-W723 HydrophobicContact CG1-CD2 3.9Å; V721-W723 HydrophobicContact CG1-CG 4.01Å; V721-W723 HydrophobicContact CG1-CZ2 4.27Å; V721-W723 PolarHBondContact O-N 3.45Å; V721-L744 HydrophobicContact CG2-CD1 4.48Å; V721-L744 HydrophobicContact CG2-CD2 3.26Å; V721-L744 HydrophobicContact CG2-CG 3.73Å
722	Q	73.8	Confident	78.1	Confident	191 Å²	191	60.5 Å²	60.5	89%	0.893	30%	0.296	S	S	*	.			trans	-75.1	86.7	166.5	-69.4	-179.2	-7.7	0	0	109
723	W	75.7	Confident	77.8	Confident	40 Å²	40	65.7 Å²	65.7	15%	0.152	32%	0.319	C	S	.	.			trans	-73.1	134.3	178.1	-61.1	87.3	0	0	0	110.6	F714 V717 Q718 V721 Q727 K728 W731 L740 Y743	F714-W723 HydrophobicContact CD2-CZ2 4.46Å; F714-W723 HydrophobicContact CE2-CZ2 4.45Å; V717-W723 HydrophobicContact CG1-CZ2 4.28Å; Q718-W723 VanDerWaalsContact O-CD1 3.28Å; Q718-W723 PolarHBondContact O-NE1 2.86Å; V721-W723 VanDerWaalsContact C-N 3.3Å; V721-W723 HydrophobicContact CB-CD2 4.41Å; V721-W723 HydrophobicContact CB-CG 4.45Å; V721-W723 HydrophobicContact CB-CZ2 4.26Å; V721-W723 HydrophobicContact CG1-CD2 3.9Å; V721-W723 HydrophobicContact CG1-CG 4.01Å; V721-W723 HydrophobicContact CG1-CZ2 4.27Å; V721-W723 PolarHBondContact O-N 3.45Å; W723-Q727 HydrophobicContact CE3-CB 3.81Å; W723-Q727 HydrophobicContact CZ3-CB 4.41Å; W723-K728 HydrophobicContact CB-CB 4.24Å; W723-W731 HydrophobicContact CH2-CB 4.12Å; W723-W731 AromaticContact CH2-CD2 3.97Å; W723-W731 HydrophobicContact CH2-CD2 3.97Å; W723-W731 HydrophobicContact CH2-CE3 4.06Å; W723-W731 AromaticContact CH2-CG 3.98Å; W723-W731 HydrophobicContact CH2-CG 3.98Å; W723-W731 HydrophobicContact CZ3-CB 3.76Å; W723-W731 HydrophobicContact CZ3-CD2 4.44Å; W723-W731 HydrophobicContact CZ3-CE3 4.48Å; W723-W731 HydrophobicContact CZ3-CG 4.14Å; W723-L740 HydrophobicContact CH2-CD1 3.81Å; W723-L740 HydrophobicContact CZ2-CD1 3.93Å; W723-Y743 HydrophobicContact CE3-CD2 4.32Å; W723-Y743 AromaticContact CH2-CD2 3.92Å; W723-Y743 HydrophobicContact CH2-CD2 3.92Å; W723-Y743 HydrophobicContact CH2-CE2 4.32Å; W723-Y743 AromaticContact CZ3-CD2 3.51Å; W723-Y743 HydrophobicContact CZ3-CD2 3.51Å; W723-Y743 AromaticContact CZ3-CE2 3.65Å; W723-Y743 HydrophobicContact CZ3-CE2 3.65Å
724	T	82.9	Confident	77.6	Confident	69 Å²	69	70 Å²	70	42%	0.423	34%	0.342	S	S	.	.			trans	-73.4	155.2	155.5	70.7	0	0	0	0	109.7	E726 Q727 K728	T724-E726 PolarHBondContact O-N 3.49Å; T724-Q727 VanDerWaalsContact N-OE1 3.15Å; T724-Q727 PolarHBondContact O-N 3.29Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.31Å; T724-Q727 PolarHBondContact OG1-N 3.49Å; T724-Q727 VanDerWaalsContact OG1-N 3.13Å; T724-K728 PolarHBondContact O-N 3.02Å
725	D	79.4	Confident	77.3	Confident	131 Å²	131	70.8 Å²	70.8	70%	0.701	35%	0.349	S	S	*	.	H	α-helix	trans	-55.7	-38.3	176.1	-74.5	-37.4	0	0	0	111.8	K728 Q729	D725-K728 PolarHBondContact O-N 2.73Å; D725-Q729 WeakPolarHBondContact O-CB 3.44Å; D725-Q729 VanDerWaalsContact O-CG 3.3Å; D725-Q729 WeakPolarHBondContact O-CG 3.06Å; D725-Q729 PolarHBondContact O-N 3.47Å
726	E	82.1	Confident	77.6	Confident	156 Å²	156	75.2 Å²	75.2	73%	0.729	36%	0.363	S	S	*	.	H	α-helix	trans	-63	-44	174.5	-63.7	-176.5	172.5	0	0	112.6	T724 K728 Q729 H730	T724-E726 PolarHBondContact O-N 3.49Å; E726-K728 VanDerWaalsContact C-N 3.34Å; E726-Q729 PolarHBondContact O-N 2.91Å; E726-H730 VanDerWaalsContact O-CB 3.24Å; E726-H730 WeakPolarHBondContact O-CB 3.31Å; E726-H730 PolarHBondContact O-N 3.09Å
727	Q	82	Confident	78	Confident	52 Å²	52	74.4 Å²	74.4	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-39.9	178.1	-73	169.9	-6	0	0	111.3	W723 T724 H730 W731 Y743	W723-Q727 HydrophobicContact CE3-CB 3.81Å; W723-Q727 HydrophobicContact CZ3-CB 4.41Å; T724-Q727 VanDerWaalsContact N-OE1 3.15Å; T724-Q727 PolarHBondContact O-N 3.29Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.31Å; T724-Q727 PolarHBondContact OG1-N 3.49Å; T724-Q727 VanDerWaalsContact OG1-N 3.13Å; Q727-H730 PolarHBondContact O-N 3.43Å; Q727-W731 WeakPolarHBondContact O-CB 3.34Å; Q727-W731 PolarHBondContact O-N 3Å; Q727-Y743 HydrophobicContact CB-CE2 4.49Å; Q727-Y743 HydrophobicContact CG-CD1 4.23Å; Q727-Y743 HydrophobicContact CG-CE1 3.91Å
728	K	79.2	Confident	78.4	Confident	90 Å²	90	76.4 Å²	76.4	39%	0.391	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-46.9	177.1	-169.6	173.2	-177.1	172.4	0	111	F714 W723 T724 D725 E726 H730 W731 L732	F714-K728 HydrophobicContact CE2-CG 4.49Å; F714-K728 HydrophobicContact CZ-CG 4.26Å; W723-K728 HydrophobicContact CB-CB 4.24Å; T724-K728 PolarHBondContact O-N 3.02Å; D725-K728 PolarHBondContact O-N 2.73Å; E726-K728 VanDerWaalsContact C-N 3.34Å; K728-H730 PolarHBondContact O-N 3.27Å; K728-W731 PolarHBondContact O-N 2.84Å; K728-L732 HydrophobicContact CG-CD1 4.33Å; K728-L732 VanDerWaalsContact O-CG 3.3Å; K728-L732 WeakPolarHBondContact O-CG 3.26Å; K728-L732 PolarHBondContact O-N 3.02Å
729	Q	78.2	Confident	78.6	Confident	81 Å²	81	76.2 Å²	76.2	38%	0.379	37%	0.367	S	S	.	.	H	α-helix	trans	-60.1	-45.6	173.3	-75.7	-178.3	-1.8	0	0	111.5	Y140 D725 E726 W731 L732 Q733	Y140-Q729 PolarHBondContact OH-NE2 3.48Å; D725-Q729 WeakPolarHBondContact O-CB 3.44Å; D725-Q729 VanDerWaalsContact O-CG 3.3Å; D725-Q729 WeakPolarHBondContact O-CG 3.06Å; D725-Q729 PolarHBondContact O-N 3.47Å; E726-Q729 PolarHBondContact O-N 2.91Å; Q729-W731 VanDerWaalsContact C-N 3.34Å; Q729-W731 PolarHBondContact O-N 3.28Å; Q729-L732 PolarHBondContact O-N 2.91Å; Q729-Q733 WeakPolarHBondContact O-CB 3.36Å; Q729-Q733 VanDerWaalsContact O-CG 3.24Å; Q729-Q733 WeakPolarHBondContact O-CG 3.13Å; Q729-Q733 PolarHBondContact O-N 2.04Å
730	H	79.9	Confident	79.3	Confident	59 Å²	59	72.4 Å²	72.4	27%	0.273	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-43.5	177.5	-175.9	-49.3	0	0	0	111	E726 Q727 K728 Q733 N734 K739	E726-H730 VanDerWaalsContact O-CB 3.24Å; E726-H730 WeakPolarHBondContact O-CB 3.31Å; E726-H730 PolarHBondContact O-N 3.09Å; Q727-H730 PolarHBondContact O-N 3.43Å; K728-H730 PolarHBondContact O-N 3.27Å; H730-Q733 PolarHBondContact O-N 3.17Å; H730-N734 CarbonylContact O-C 3.53Å; H730-N734 WeakPolarHBondContact O-CA 3.16Å; H730-N734 PolarHBondContact O-N 3.14Å; H730-K739 PolarHBondContact CE1-NZ 2.83Å; H730-K739 PolarHBondContact NE2-NZ 2.77Å
731	W	79.6	Confident	80	Confident	6 Å²	6	71.1 Å²	71.1	2%	0.023	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-45.4	178	-179.4	-92	0	0	0	111.5	F714 W723 Q727 K728 Q729 Q733 N734 P735 R736 L740	F714-W731 AromaticContact CD2-CD1 3.19Å; F714-W731 HydrophobicContact CD2-CG 4.11Å; F714-W731 AromaticContact CD2-NE1 3.33Å; F714-W731 VanDerWaalsContact CD2-NE1 3.33Å; F714-W731 AromaticContact CE2-CD1 3.78Å; F714-W731 AromaticContact CG-CD1 3.87Å; F714-W731 AromaticContact CG-NE1 3.69Å; W723-W731 HydrophobicContact CH2-CB 4.12Å; W723-W731 AromaticContact CH2-CD2 3.97Å; W723-W731 HydrophobicContact CH2-CD2 3.97Å; W723-W731 HydrophobicContact CH2-CE3 4.06Å; W723-W731 AromaticContact CH2-CG 3.98Å; W723-W731 HydrophobicContact CH2-CG 3.98Å; W723-W731 HydrophobicContact CZ3-CB 3.76Å; W723-W731 HydrophobicContact CZ3-CD2 4.44Å; W723-W731 HydrophobicContact CZ3-CE3 4.48Å; W723-W731 HydrophobicContact CZ3-CG 4.14Å; Q727-W731 WeakPolarHBondContact O-CB 3.34Å; Q727-W731 PolarHBondContact O-N 3Å; K728-W731 PolarHBondContact O-N 2.84Å; Q729-W731 VanDerWaalsContact C-N 3.34Å; Q729-W731 PolarHBondContact O-N 3.28Å; W731-Q733 VanDerWaalsContact C-N 3.35Å; W731-Q733 PolarHBondContact O-N 2.96Å; W731-N734 CarbonylContact O-C 3.49Å; W731-P735 HydrophobicContact CD2-CB 4.35Å; W731-P735 HydrophobicContact CZ2-CB 4.38Å; W731-P735 VanDerWaalsContact O-CA 3.24Å; W731-P735 WeakPolarHBondContact O-CA 3.24Å; W731-P735 WeakPolarHBondContact O-CB 3.29Å; W731-P735 WeakPolarHBondContact O-CD 3.48Å; W731-R736 VanDerWaalsContact CZ3-O 3.23Å; W731-R736 WeakPolarHBondContact CZ3-O 3.47Å; W731-L740 HydrophobicContact CE3-CD1 4.49Å; W731-L740 HydrophobicContact CH2-CB 3.86Å; W731-L740 HydrophobicContact CH2-CD1 4.01Å; W731-L740 HydrophobicContact CH2-CD2 4.14Å; W731-L740 HydrophobicContact CH2-CG 4.25Å; W731-L740 HydrophobicContact CZ3-CB 3.68Å; W731-L740 HydrophobicContact CZ3-CD1 3.99Å; W731-L740 HydrophobicContact CZ3-CG 4.35Å
732	L	77.5	Confident	80.7	Confident	90 Å²	90	77 Å²	77	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-66.1	-35.4	178.9	-68.9	170.2	0	0	0	112.7	F714 K728 Q729	F714-L732 HydrophobicContact CE1-CD2 4.35Å; F714-L732 HydrophobicContact CZ-CD2 4.43Å; K728-L732 HydrophobicContact CG-CD1 4.33Å; K728-L732 VanDerWaalsContact O-CG 3.3Å; K728-L732 WeakPolarHBondContact O-CG 3.26Å; K728-L732 PolarHBondContact O-N 3.02Å; Q729-L732 PolarHBondContact O-N 2.91Å
733	Q	75.1	Confident	81.1	Confident	137 Å²	137	69.6 Å²	69.6	64%	0.64	33%	0.331	S	S	*	.	H	α-helix	trans	-78	-41.2	178.2	-70.9	176.8	9.2	0	0	112.9	Q729 H730 W731	Q729-Q733 WeakPolarHBondContact O-CB 3.36Å; Q729-Q733 VanDerWaalsContact O-CG 3.24Å; Q729-Q733 WeakPolarHBondContact O-CG 3.13Å; Q729-Q733 PolarHBondContact O-N 2.04Å; H730-Q733 PolarHBondContact O-N 3.17Å; W731-Q733 VanDerWaalsContact C-N 3.35Å; W731-Q733 PolarHBondContact O-N 2.96Å
734	N	78.1	Confident	81.4	Confident	90 Å²	90	68.7 Å²	68.7	48%	0.481	33%	0.329	S	S	.	.	S	Bend	trans	-143.1	69.4	-171.2	-75	-55.6	0	0	0	111.1	H730 W731 R736	H730-N734 CarbonylContact O-C 3.53Å; H730-N734 WeakPolarHBondContact O-CA 3.16Å; H730-N734 PolarHBondContact O-N 3.14Å; W731-N734 CarbonylContact O-C 3.49Å; N734-R736 PolarHBondContact O-N 2.9Å
735	P	77.5	Confident	81.5	Confident	30 Å²	30	74 Å²	74	20%	0.195	35%	0.348	C	S	.	.			trans	-64.1	129.1	-177.7	24.3	-33.1	0	0	0	110.6	Y710 W731	Y710-P735 HydrophobicContact CD1-CB 4.48Å; Y710-P735 HydrophobicContact CD2-CB 3.46Å; Y710-P735 VanDerWaalsContact CD2-CB 3.46Å; Y710-P735 HydrophobicContact CD2-CG 3.2Å; Y710-P735 HydrophobicContact CE2-CB 3.94Å; Y710-P735 HydrophobicContact CE2-CG 3.66Å; Y710-P735 WeakPolarHBondContact CE2-O 3.24Å; Y710-P735 HydrophobicContact CG-CB 3.73Å; Y710-P735 HydrophobicContact CG-CG 3.95Å; W731-P735 HydrophobicContact CD2-CB 4.35Å; W731-P735 HydrophobicContact CZ2-CB 4.38Å; W731-P735 VanDerWaalsContact O-CA 3.24Å; W731-P735 WeakPolarHBondContact O-CA 3.24Å; W731-P735 WeakPolarHBondContact O-CB 3.29Å; W731-P735 WeakPolarHBondContact O-CD 3.48Å
736	R	82.4	Confident	82	Confident	150 Å²	150	68.4 Å²	68.4	57%	0.566	32%	0.318	S	S	*	.			trans	-141.8	111.3	178.8	-68.3	-174.3	-175.7	-172.1	2.6	108.9	W731 N734 I738 K739 L740	W731-R736 VanDerWaalsContact CZ3-O 3.23Å; W731-R736 WeakPolarHBondContact CZ3-O 3.47Å; N734-R736 PolarHBondContact O-N 2.9Å; R736-I738 PolarHBondContact O-N 3.49Å; R736-I738 VanDerWaalsContact O-N 3.13Å; R736-K739 HydrophobicContact CB-CB 4.11Å; R736-K739 HydrophobicContact CB-CD 4.32Å; R736-K739 HydrophobicContact CB-CG 3.93Å; R736-K739 WeakPolarHBondContact O-CA 3.29Å; R736-K739 WeakPolarHBondContact O-CB 2.93Å; R736-K739 PolarHBondContact O-N 3.38Å; R736-L740 PolarHBondContact O-N 3.4Å
737	V	85	Confident	82.3	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-50.4	-41.3	179.5	173.6	0	0	0	0	112.7	L643 W646 Y710 L713 K739 L740 F741	L643-V737 HydrophobicContact CD2-CG1 3.51Å; L643-V737 HydrophobicContact CD2-CG2 4.49Å; W646-V737 HydrophobicContact CD2-CB 3.89Å; W646-V737 HydrophobicContact CD2-CG1 4.06Å; W646-V737 HydrophobicContact CD2-CG2 3.76Å; W646-V737 HydrophobicContact CE3-CB 4.3Å; W646-V737 HydrophobicContact CE3-CG1 3.99Å; W646-V737 HydrophobicContact CG-CB 4.42Å; W646-V737 HydrophobicContact CG-CG2 3.75Å; W646-V737 HydrophobicContact CH2-CB 4.1Å; W646-V737 HydrophobicContact CH2-CG1 4.12Å; W646-V737 HydrophobicContact CZ2-CB 3.68Å; W646-V737 HydrophobicContact CZ2-CG1 4.2Å; W646-V737 HydrophobicContact CZ2-CG2 4.29Å; W646-V737 HydrophobicContact CZ3-CB 4.4Å; W646-V737 HydrophobicContact CZ3-CG1 4.03Å; Y710-V737 HydrophobicContact CD1-CG2 4.19Å; Y710-V737 HydrophobicContact CE1-CG2 3.76Å; L713-V737 HydrophobicContact CD1-CG2 3.86Å; V737-K739 VanDerWaalsContact C-N 3.29Å; V737-K739 PolarHBondContact O-N 2.97Å; V737-L740 WeakPolarHBondContact O-CA 3.49Å; V737-L740 WeakPolarHBondContact O-CB 3.33Å; V737-L740 PolarHBondContact O-N 3.33Å; V737-F741 HydrophobicContact CG1-CD2 4.27Å; V737-F741 HydrophobicContact CG1-CE2 3.84Å; V737-F741 WeakPolarHBondContact O-CD2 3.4Å; V737-F741 PolarHBondContact O-N 3.35Å
738	I	86.1	Confident	82.7	Confident	42 Å²	42	69 Å²	69	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-32.2	177	-60	-55	0	0	0	113	W646 R736 L740 F741 H742 P749 L754	W646-I738 HydrophobicContact CH2-CD1 3.71Å; W646-I738 HydrophobicContact CH2-CG1 3.9Å; W646-I738 HydrophobicContact CZ2-CG1 4.26Å; W646-I738 HydrophobicContact CZ3-CD1 4.48Å; R736-I738 PolarHBondContact O-N 3.49Å; R736-I738 VanDerWaalsContact O-N 3.13Å; I738-L740 VanDerWaalsContact C-N 3.28Å; I738-L740 PolarHBondContact O-N 2.89Å; I738-F741 PolarHBondContact O-N 2.87Å; I738-H742 PolarHBondContact O-N 3.42Å; I738-H742 VanDerWaalsContact O-N 3.17Å; I738-P749 WeakPolarHBondContact CD1-O 3.31Å; I738-L754 HydrophobicContact CD1-CD1 3.83Å
739	K	83.4	Confident	83.1	Confident	62 Å²	62	65.5 Å²	65.5	27%	0.27	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-29.6	173.4	-72.4	-164.8	169.9	-151.2	0	111.8	H730 R736 V737 H742 Y743	H730-K739 PolarHBondContact CE1-NZ 2.83Å; H730-K739 PolarHBondContact NE2-NZ 2.77Å; R736-K739 HydrophobicContact CB-CB 4.11Å; R736-K739 HydrophobicContact CB-CD 4.32Å; R736-K739 HydrophobicContact CB-CG 3.93Å; R736-K739 WeakPolarHBondContact O-CA 3.29Å; R736-K739 WeakPolarHBondContact O-CB 2.93Å; R736-K739 PolarHBondContact O-N 3.38Å; V737-K739 VanDerWaalsContact C-N 3.29Å; V737-K739 PolarHBondContact O-N 2.97Å; K739-H742 WeakPolarHBondContact O-CB 3.31Å; K739-H742 PolarHBondContact O-N 3.38Å; K739-Y743 HydrophobicContact CB-CE2 4.16Å; K739-Y743 VanDerWaalsContact O-CD2 3.28Å; K739-Y743 WeakPolarHBondContact O-CD2 3.34Å; K739-Y743 PolarHBondContact O-N 2.92Å
740	L	84	Confident	83.6	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-51.8	173.8	-166.7	64.7	0	0	0	110.9	F615 V717 W723 W731 R736 V737 I738 H742 Y743 L744	F615-L740 HydrophobicContact CZ-CD2 4.5Å; V717-L740 HydrophobicContact CB-CD1 4.22Å; V717-L740 HydrophobicContact CG1-CD1 3.7Å; V717-L740 HydrophobicContact CG1-CG 4.42Å; V717-L740 HydrophobicContact CG2-CD2 4.22Å; W723-L740 HydrophobicContact CH2-CD1 3.81Å; W723-L740 HydrophobicContact CZ2-CD1 3.93Å; W731-L740 HydrophobicContact CE3-CD1 4.49Å; W731-L740 HydrophobicContact CH2-CB 3.86Å; W731-L740 HydrophobicContact CH2-CD1 4.01Å; W731-L740 HydrophobicContact CH2-CD2 4.14Å; W731-L740 HydrophobicContact CH2-CG 4.25Å; W731-L740 HydrophobicContact CZ3-CB 3.68Å; W731-L740 HydrophobicContact CZ3-CD1 3.99Å; W731-L740 HydrophobicContact CZ3-CG 4.35Å; R736-L740 PolarHBondContact O-N 3.4Å; V737-L740 WeakPolarHBondContact O-CA 3.49Å; V737-L740 WeakPolarHBondContact O-CB 3.33Å; V737-L740 PolarHBondContact O-N 3.33Å; I738-L740 VanDerWaalsContact C-N 3.28Å; I738-L740 PolarHBondContact O-N 2.89Å; L740-H742 PolarHBondContact O-N 3.08Å; L740-Y743 PolarHBondContact O-N 2.95Å; L740-L744 HydrophobicContact CG-CD1 4.12Å; L740-L744 WeakPolarHBondContact O-CD1 3.45Å; L740-L744 WeakPolarHBondContact O-CG 3.11Å; L740-L744 PolarHBondContact O-N 2.74Å
741	F	86.9	Confident	83.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-36.4	175.8	-72.5	-80.6	0	0	0	111.9	Y608 A611 F615 L643 V737 I738 L744 H745 I746 C748	Y608-F741 AromaticContact CE2-CE2 3.98Å; Y608-F741 HydrophobicContact CE2-CE2 3.98Å; Y608-F741 HydrophobicContact CE2-CZ 4.03Å; A611-F741 HydrophobicContact CB-CD1 4.23Å; A611-F741 HydrophobicContact CB-CE1 4.11Å; F615-F741 HydrophobicContact CB-CE1 4.08Å; F615-F741 HydrophobicContact CG-CE1 4.49Å; L643-F741 HydrophobicContact CD1-CZ 4.26Å; V737-F741 HydrophobicContact CG1-CD2 4.27Å; V737-F741 HydrophobicContact CG1-CE2 3.84Å; V737-F741 WeakPolarHBondContact O-CD2 3.4Å; V737-F741 PolarHBondContact O-N 3.35Å; I738-F741 PolarHBondContact O-N 2.87Å; F741-L744 CarbonylContact O-C 3.59Å; F741-L744 PolarHBondContact O-N 3.21Å; F741-H745 PolarHBondContact O-N 2.72Å; F741-I746 HydrophobicContact CB-CB 4.43Å; F741-I746 HydrophobicContact CD1-CB 4.07Å; F741-I746 HydrophobicContact CD1-CD1 4.36Å; F741-I746 HydrophobicContact CD1-CG2 3.89Å; F741-I746 PolarHBondContact O-N 2.7Å; F741-C748 HydrophobicContact CB-CB 3.75Å; F741-C748 HydrophobicContact CD1-CB 4.2Å; F741-C748 HydrophobicContact CD2-CB 4.25Å; F741-C748 HydrophobicContact CG-CB 3.81Å
742	H	85.1	Confident	83.8	Confident	137 Å²	137	66.7 Å²	66.7	63%	0.634	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-44.6	175.4	-174.4	68.6	0	0	0	112.7	I738 K739 L740 L744 H745	I738-H742 PolarHBondContact O-N 3.42Å; I738-H742 VanDerWaalsContact O-N 3.17Å; K739-H742 WeakPolarHBondContact O-CB 3.31Å; K739-H742 PolarHBondContact O-N 3.38Å; L740-H742 PolarHBondContact O-N 3.08Å; H742-L744 PolarHBondContact O-N 3.23Å; H742-H745 PolarHBondContact O-N 3.35Å
743	Y	82.7	Confident	84.2	Confident	36 Å²	36	69.6 Å²	69.6	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-29.6	175	-59.9	-33.7	0	0	0	112.5	W723 Q727 K739 L740 H745	W723-Y743 HydrophobicContact CE3-CD2 4.32Å; W723-Y743 AromaticContact CH2-CD2 3.92Å; W723-Y743 HydrophobicContact CH2-CD2 3.92Å; W723-Y743 HydrophobicContact CH2-CE2 4.32Å; W723-Y743 AromaticContact CZ3-CD2 3.51Å; W723-Y743 HydrophobicContact CZ3-CD2 3.51Å; W723-Y743 AromaticContact CZ3-CE2 3.65Å; W723-Y743 HydrophobicContact CZ3-CE2 3.65Å; Q727-Y743 HydrophobicContact CB-CE2 4.49Å; Q727-Y743 HydrophobicContact CG-CD1 4.23Å; Q727-Y743 HydrophobicContact CG-CE1 3.91Å; K739-Y743 HydrophobicContact CB-CE2 4.16Å; K739-Y743 VanDerWaalsContact O-CD2 3.28Å; K739-Y743 WeakPolarHBondContact O-CD2 3.34Å; K739-Y743 PolarHBondContact O-N 2.92Å; L740-Y743 PolarHBondContact O-N 2.95Å; Y743-H745 VanDerWaalsContact C-N 3.25Å; Y743-H745 PolarHBondContact O-N 2.92Å
744	L	82.6	Confident	84.8	Confident	21 Å²	21	63 Å²	63	11%	0.11	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.3	173.8	-72	161	0	0	0	113.9	F615 L618 V721 L740 F741 H742 I746	F615-L744 HydrophobicContact CD2-CD1 3.4Å; F615-L744 VanDerWaalsContact CD2-CD1 3.4Å; F615-L744 HydrophobicContact CE2-CD1 3.53Å; F615-L744 HydrophobicContact CG-CD1 4.34Å; L618-L744 HydrophobicContact CD1-CB 4.34Å; L618-L744 HydrophobicContact CD1-CD2 3.8Å; V721-L744 HydrophobicContact CG2-CD1 4.48Å; V721-L744 HydrophobicContact CG2-CD2 3.26Å; V721-L744 HydrophobicContact CG2-CG 3.73Å; L740-L744 HydrophobicContact CG-CD1 4.12Å; L740-L744 WeakPolarHBondContact O-CD1 3.45Å; L740-L744 WeakPolarHBondContact O-CG 3.11Å; L740-L744 PolarHBondContact O-N 2.74Å; F741-L744 CarbonylContact O-C 3.59Å; F741-L744 PolarHBondContact O-N 3.21Å; H742-L744 PolarHBondContact O-N 3.23Å; L744-I746 HydrophobicContact CB-CD1 3.95Å; L744-I746 HydrophobicContact CB-CG1 4.03Å; L744-I746 HydrophobicContact CD1-CD1 4.42Å; L744-I746 PolarHBondContact O-N 3.49Å; L744-I746 VanDerWaalsContact O-N 3.17Å
745	H	85.7	Confident	84.9	Confident	179 Å²	179	61.8 Å²	61.8	83%	0.829	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	26.8	-173	-57.9	-78.4	0	0	0	114.4	F741 H742 Y743	F741-H745 PolarHBondContact O-N 2.72Å; H742-H745 PolarHBondContact O-N 3.35Å; Y743-H745 VanDerWaalsContact C-N 3.25Å; Y743-H745 PolarHBondContact O-N 2.92Å
746	I	88.1	Confident	85.1	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.077	28%	0.277	C	S	.	.			trans	-95.7	122	176.9	-61.6	171.9	0	0	0	109.6	A611 K614 F615 L618 F741 L744 C748	A611-I746 HydrophobicContact CB-CG2 3.7Å; K614-I746 HydrophobicContact CB-CD1 4.04Å; K614-I746 HydrophobicContact CB-CG1 4.25Å; K614-I746 HydrophobicContact CB-CG2 4.25Å; K614-I746 HydrophobicContact CD-CG2 4.4Å; F615-I746 HydrophobicContact CB-CD1 3.72Å; L618-I746 HydrophobicContact CD1-CD1 3.85Å; L618-I746 HydrophobicContact CD1-CG1 4.36Å; F741-I746 HydrophobicContact CB-CB 4.43Å; F741-I746 HydrophobicContact CD1-CB 4.07Å; F741-I746 HydrophobicContact CD1-CD1 4.36Å; F741-I746 HydrophobicContact CD1-CG2 3.89Å; F741-I746 PolarHBondContact O-N 2.7Å; L744-I746 HydrophobicContact CB-CD1 3.95Å; L744-I746 HydrophobicContact CB-CG1 4.03Å; L744-I746 HydrophobicContact CD1-CD1 4.42Å; L744-I746 PolarHBondContact O-N 3.49Å; L744-I746 VanDerWaalsContact O-N 3.17Å; I746-C748 PolarHBondContact O-N 2.91Å
747	K	89.7	Confident	85.2	Confident	192 Å²	192	53.7 Å²	53.7	84%	0.835	25%	0.25	S	C	*	.			trans	-66.7	118.2	171.1	-68.4	-176	-179.4	177.8	0	109.8
748	C	89.9	Confident	85.1	Confident	29 Å²	29	53.8 Å²	53.8	20%	0.196	25%	0.251	C	S	.	.			trans	-131.8	144.2	-179.3	-178.2	0	0	0	0	109.8	A611 F741 I746	A611-C748 HydrophobicContact CB-CB 4.03Å; F741-C748 HydrophobicContact CB-CB 3.75Å; F741-C748 HydrophobicContact CD1-CB 4.2Å; F741-C748 HydrophobicContact CD2-CB 4.25Å; F741-C748 HydrophobicContact CG-CB 3.81Å; I746-C748 PolarHBondContact O-N 2.91Å
749	P	88.3	Confident	84.8	Confident	15 Å²	15	51.8 Å²	51.8	10%	0.097	24%	0.241	C	C	.	.			trans	-56.5	148.6	173.9	-23.3	33.1	0	0	0	112.5	T604 K607 I738 L754	T604-P749 HydrophobicContact CG2-CB 4.07Å; T604-P749 HydrophobicContact CG2-CG 4.37Å; T604-P749 WeakPolarHBondContact O-CG 3.45Å; K607-P749 HydrophobicContact CB-CG 3.72Å; I738-P749 WeakPolarHBondContact CD1-O 3.31Å; P749-L754 HydrophobicContact CB-CD2 3.95Å; P749-L754 HydrophobicContact CB-CG 4.05Å; P749-L754 HydrophobicContact CG-CD2 4.23Å
750	S	87.3	Confident	84.8	Confident	54 Å²	54	49 Å²	49	38%	0.378	23%	0.229	S	C	.	.			trans	-65.6	152.7	179.2	72.6	0	0	0	0	111.7	K752 R753 L754	S750-K752 PolarHBondContact O-N 3Å; S750-R753 PolarHBondContact O-N 3Å; S750-R753 PolarHBondContact OG-N 3.33Å; S750-L754 PolarHBondContact O-N 3.14Å
751	S	83.5	Confident	84.8	Confident	32 Å²	32	49 Å²	49	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-27.7	176.2	174.2	0	0	0	0	112.9	R755	S751-R755 WeakPolarHBondContact O-CB 3.3Å; S751-R755 PolarHBondContact O-N 3.16Å; S751-R755 VanDerWaalsContact O-N 3.1Å
752	K	82.2	Confident	84.4	Confident	86 Å²	86	49.7 Å²	49.7	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-50.5	174.2	-171.7	-172.4	-176.8	-167.1	0	111.1	S750 R755 Q756 E834	S750-K752 PolarHBondContact O-N 3Å; K752-R755 PolarHBondContact O-N 3.3Å; K752-Q756 WeakPolarHBondContact O-CG 3.5Å; K752-Q756 PolarHBondContact O-N 2.8Å; K752-E834 WeakPolarHBondContact CE-OE2 3.43Å; K752-E834 IonicContact NZ-OE1 2.68Å; K752-E834 PolarHBondContact NZ-OE1 3.07Å; K752-E834 IonicContact NZ-OE2 3.6Å; K752-E834 PolarHBondContact NZ-OE2 3.24Å
753	R	85.8	Confident	84.1	Confident	150 Å²	150	43.5 Å²	43.5	57%	0.566	20%	0.202	S	C	*	.	H	α-helix	trans	-64.1	-44.1	179.8	-74	-173	176.1	175.7	-0.6	112	T604 S750 R755 Q756 A757	T604-R753 HydrophobicContact CG2-CB 4Å; S750-R753 PolarHBondContact O-N 3Å; S750-R753 PolarHBondContact OG-N 3.33Å; R753-R755 VanDerWaalsContact C-N 3.34Å; R753-R755 PolarHBondContact O-N 2.95Å; R753-Q756 PolarHBondContact O-N 3.09Å; R753-A757 WeakPolarHBondContact O-CB 3.29Å; R753-A757 PolarHBondContact O-N 2.79Å
754	L	86.8	Confident	84.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-45.9	176.4	-68	174.8	0	0	0	111.3	T604 L605 Y608 W646 L647 I738 P749 S750 Q756 A757 S758	T604-L754 HydrophobicContact CG2-CD2 4.23Å; L605-L754 HydrophobicContact CD2-CD2 4.23Å; Y608-L754 HydrophobicContact CD1-CD2 4.41Å; Y608-L754 HydrophobicContact CD2-CD1 4.04Å; Y608-L754 HydrophobicContact CD2-CD2 4.17Å; Y608-L754 HydrophobicContact CE2-CD1 4.2Å; Y608-L754 HydrophobicContact CG-CD1 4.49Å; Y608-L754 HydrophobicContact CG-CD2 3.87Å; W646-L754 HydrophobicContact CH2-CD1 3.94Å; W646-L754 HydrophobicContact CZ3-CD1 3.89Å; L647-L754 HydrophobicContact CD1-CB 4.05Å; I738-L754 HydrophobicContact CD1-CD1 3.83Å; P749-L754 HydrophobicContact CB-CD2 3.95Å; P749-L754 HydrophobicContact CB-CG 4.05Å; P749-L754 HydrophobicContact CG-CD2 4.23Å; S750-L754 PolarHBondContact O-N 3.14Å; L754-Q756 PolarHBondContact O-N 3.39Å; L754-A757 PolarHBondContact O-N 3.33Å; L754-S758 WeakPolarHBondContact O-CB 3.34Å; L754-S758 PolarHBondContact O-N 3.16Å; L754-S758 PolarHBondContact O-OG 3.48Å
755	R	80.6	Confident	84	Confident	63 Å²	63	40.9 Å²	40.9	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-44	177.7	-176.1	-165.3	-48.2	-161	0.9	112.7	W654 S751 K752 R753 F759	W654-R755 HydrophobicContact CB-CG 3.57Å; W654-R755 HydrophobicContact CD2-CG 4.01Å; W654-R755 HydrophobicContact CE3-CG 4.46Å; W654-R755 VanDerWaalsContact CG-CD 3.49Å; W654-R755 HydrophobicContact CG-CG 3.62Å; S751-R755 WeakPolarHBondContact O-CB 3.3Å; S751-R755 PolarHBondContact O-N 3.16Å; S751-R755 VanDerWaalsContact O-N 3.1Å; K752-R755 PolarHBondContact O-N 3.3Å; R753-R755 VanDerWaalsContact C-N 3.34Å; R753-R755 PolarHBondContact O-N 2.95Å; R755-F759 VanDerWaalsContact O-CB 3.25Å; R755-F759 WeakPolarHBondContact O-CB 3.42Å; R755-F759 PolarHBondContact O-N 3.01Å
756	Q	80.7	Confident	83.2	Confident	10 Å²	10	34 Å²	34	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-47.2	176.2	-73.3	169.4	-38	0	0	111.5	K752 R753 L754 F759 I760 E834 I837	K752-Q756 WeakPolarHBondContact O-CG 3.5Å; K752-Q756 PolarHBondContact O-N 2.8Å; R753-Q756 PolarHBondContact O-N 3.09Å; L754-Q756 PolarHBondContact O-N 3.39Å; Q756-F759 PolarHBondContact O-N 2.88Å; Q756-I760 WeakPolarHBondContact O-CG1 3.46Å; Q756-I760 PolarHBondContact O-N 3.11Å; Q756-E834 PolarHBondContact NE2-O 3.07Å; Q756-E834 PolarHBondContact NE2-OE2 2.97Å; Q756-I837 HydrophobicContact CB-CG1 3.97Å
757	A	86	Confident	82.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-47.7	178.6	0	0	0	0	0	111.8	T604 R753 L754 F759 I760 L761 I837	T604-A757 HydrophobicContact CG2-CB 3.99Å; R753-A757 WeakPolarHBondContact O-CB 3.29Å; R753-A757 PolarHBondContact O-N 2.79Å; L754-A757 PolarHBondContact O-N 3.33Å; A757-F759 VanDerWaalsContact C-N 3.33Å; A757-F759 PolarHBondContact O-N 3.12Å; A757-I760 PolarHBondContact O-N 2.62Å; A757-L761 WeakPolarHBondContact O-CB 3.38Å; A757-L761 VanDerWaalsContact O-CG 3.3Å; A757-L761 WeakPolarHBondContact O-CG 3.39Å; A757-L761 PolarHBondContact O-N 3.23Å; A757-I837 HydrophobicContact CB-CD1 4.38Å
758	S	83	Confident	81.5	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-40.4	176.7	-60.4	0	0	0	0	112.2	L647 L754 R762	L647-S758 WeakPolarHBondContact CD1-OG 3.32Å; L647-S758 WeakPolarHBondContact CD2-OG 3.47Å; L647-S758 WeakPolarHBondContact CG-OG 3.41Å; L754-S758 WeakPolarHBondContact O-CB 3.34Å; L754-S758 PolarHBondContact O-N 3.16Å; L754-S758 PolarHBondContact O-OG 3.48Å; S758-R762 WeakPolarHBondContact O-CB 3.2Å; S758-R762 PolarHBondContact O-N 3.15Å
759	F	79.6	Confident	80.4	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-47.9	176.4	174.9	-100.6	0	0	0	111.9	D651 W654 R655 R755 Q756 A757 R763 W821	D651-F759 WeakPolarHBondContact OD1-CA 3.22Å; W654-F759 AromaticContact CD1-CD2 3.92Å; W654-F759 AromaticContact CD1-CG 3.84Å; R655-F759 HydrophobicContact CG-CD2 4.19Å; R655-F759 HydrophobicContact CG-CE2 4.15Å; R755-F759 VanDerWaalsContact O-CB 3.25Å; R755-F759 WeakPolarHBondContact O-CB 3.42Å; R755-F759 PolarHBondContact O-N 3.01Å; Q756-F759 PolarHBondContact O-N 2.88Å; A757-F759 VanDerWaalsContact C-N 3.33Å; A757-F759 PolarHBondContact O-N 3.12Å; F759-R763 VanDerWaalsContact O-CB 3.22Å; F759-R763 WeakPolarHBondContact O-CB 3.43Å; F759-R763 PolarHBondContact O-N 2.91Å; F759-W821 HydrophobicContact CE1-CH2 4.47Å; F759-W821 AromaticContact CZ-CH2 3.78Å; F759-W821 HydrophobicContact CZ-CH2 3.78Å; F759-W821 HydrophobicContact CZ-CZ3 4.24Å
760	I	83	Confident	79.1	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-48.5	178.7	-70.8	169.9	0	0	0	110.9	E597 S601 Q756 A757 R763 Y764 I837	E597-I760 HydrophobicContact CB-CD1 4.38Å; E597-I760 HydrophobicContact CB-CG2 4.25Å; S601-I760 WeakPolarHBondContact OG-CG2 3.49Å; Q756-I760 WeakPolarHBondContact O-CG1 3.46Å; Q756-I760 PolarHBondContact O-N 3.11Å; A757-I760 PolarHBondContact O-N 2.62Å; I760-R763 WeakPolarHBondContact O-CB 3.4Å; I760-R763 PolarHBondContact O-N 2.7Å; I760-Y764 HydrophobicContact CG2-CD2 3.58Å; I760-Y764 HydrophobicContact CG2-CE2 3.57Å; I760-Y764 HydrophobicContact CG2-CG 4.44Å; I760-Y764 PolarHBondContact O-N 2.95Å; I760-I837 HydrophobicContact CD1-CB 4.32Å; I760-I837 HydrophobicContact CD1-CD1 3.78Å; I760-I837 HydrophobicContact CD1-CG1 3.69Å
761	L	83.7	Confident	77.7	Confident	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-45.6	-178.6	-70.2	167.1	0	0	0	111.3	L598 L602 L605 A757 R763 Y764 L765 F781	L598-L761 HydrophobicContact CD2-CD2 4.07Å; L598-L761 HydrophobicContact CG-CD2 4.25Å; L602-L761 HydrophobicContact CD2-CD1 4.19Å; L602-L761 HydrophobicContact CD2-CD2 3.84Å; L602-L761 HydrophobicContact CG-CD2 3.93Å; L605-L761 HydrophobicContact CD1-CD1 3.2Å; L605-L761 HydrophobicContact CG-CD1 4.02Å; A757-L761 WeakPolarHBondContact O-CB 3.38Å; A757-L761 VanDerWaalsContact O-CG 3.3Å; A757-L761 WeakPolarHBondContact O-CG 3.39Å; A757-L761 PolarHBondContact O-N 3.23Å; L761-R763 PolarHBondContact O-N 2.79Å; L761-Y764 PolarHBondContact O-N 2.96Å; L761-L765 HydrophobicContact CD2-CD1 3.96Å; L761-L765 CarbonylContact O-C 3.43Å; L761-L765 WeakPolarHBondContact O-CA 3.49Å; L761-L765 WeakPolarHBondContact O-CB 3.26Å; L761-L765 PolarHBondContact O-N 3.32Å; L761-F781 HydrophobicContact CB-CD1 3.91Å; L761-F781 HydrophobicContact CB-CD2 4.42Å; L761-F781 HydrophobicContact CB-CE1 3.88Å; L761-F781 HydrophobicContact CB-CE2 4.4Å; L761-F781 HydrophobicContact CB-CG 4.19Å; L761-F781 HydrophobicContact CB-CZ 4.14Å; L761-F781 HydrophobicContact CD1-CB 4.34Å; L761-F781 HydrophobicContact CD1-CD2 4.31Å; L761-F781 HydrophobicContact CD1-CG 4.25Å
762	R	78.5	Confident	76.2	Confident	17 Å²	17	30.2 Å²	30.2	6%	0.064	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-35.8	175.4	-169.2	-172.5	69.8	80	18.8	112.1	D651 R655 K680 S758 P766 F781	D651-R762 IonicContact OD1-NE 2.71Å; D651-R762 PolarHBondContact OD1-NE 3.03Å; D651-R762 WeakPolarHBondContact OD2-CD 3.19Å; D651-R762 IonicContact OD2-CZ 3.1Å; D651-R762 IonicContact OD2-NE 3.82Å; D651-R762 PolarHBondContact OD2-NE 3.19Å; R655-R762 VanDerWaalsContact CD-NH2 3.27Å; R655-R762 VanDerWaalsContact CZ-CZ 3.42Å; R655-R762 VanDerWaalsContact CZ-NH1 3.32Å; R655-R762 VanDerWaalsContact NE-CZ 3.35Å; R655-R762 VanDerWaalsContact NH1-NH1 3.12Å; K680-R762 PolarHBondContact O-NH1 3.44Å; S758-R762 WeakPolarHBondContact O-CB 3.2Å; S758-R762 PolarHBondContact O-N 3.15Å; R762-P766 WeakPolarHBondContact O-CA 3.36Å; R762-F781 HydrophobicContact CB-CZ 4.14Å
763	R	79	Confident	74.5	Confident	7 Å²	7	32.4 Å²	32.4	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-70.2	-52.2	179.1	-174.6	-179.9	-171.3	-152.4	6.3	111.8	S678 F759 I760 L761 R809 M813 E817	S678-R763 PolarHBondContact OG-NE 3.43Å; S678-R763 PolarHBondContact OG-NH2 2.83Å; F759-R763 VanDerWaalsContact O-CB 3.22Å; F759-R763 WeakPolarHBondContact O-CB 3.43Å; F759-R763 PolarHBondContact O-N 2.91Å; I760-R763 WeakPolarHBondContact O-CB 3.4Å; I760-R763 PolarHBondContact O-N 2.7Å; L761-R763 PolarHBondContact O-N 2.79Å; R763-R809 PolarHBondContact O-NH1 3.27Å; R763-M813 HydrophobicContact CG-CE 4.11Å; R763-M813 HydrophobicContact CG-SD 3.62Å; R763-M813 VanDerWaalsContact NH2-C 3.3Å; R763-M813 PolarHBondContact NH2-O 3.44Å; R763-M813 WeakPolarHBondContact O-CE 3.32Å; R763-E817 IonicContact CZ-OE2 3.83Å; R763-E817 IonicContact NH1-OE2 2.84Å; R763-E817 PolarHBondContact NH1-OE2 2.76Å
764	Y	83.9	Confident	72.3	Confident	1 Å²	1	31 Å²	31	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-80.9	-29.4	-175.6	-62.4	-16.6	0	0	0	113	V594 E597 I760 L761 P766 A810 M813 K814	V594-Y764 HydrophobicContact CG1-CD2 4.17Å; V594-Y764 HydrophobicContact CG1-CE2 4.11Å; V594-Y764 HydrophobicContact CG2-CE2 4.4Å; E597-Y764 HydrophobicContact CB-CE2 4.23Å; E597-Y764 WeakPolarHBondContact OE2-CE2 3.19Å; E597-Y764 PolarHBondContact OE2-OH 2.93Å; I760-Y764 HydrophobicContact CG2-CD2 3.58Å; I760-Y764 HydrophobicContact CG2-CE2 3.57Å; I760-Y764 HydrophobicContact CG2-CG 4.44Å; I760-Y764 PolarHBondContact O-N 2.95Å; L761-Y764 PolarHBondContact O-N 2.96Å; Y764-P766 VanDerWaalsContact C-CD 3.41Å; Y764-P766 WeakPolarHBondContact O-CD 3.18Å; Y764-A810 HydrophobicContact CD1-CB 3.4Å; Y764-A810 VanDerWaalsContact CD1-CB 3.4Å; Y764-A810 HydrophobicContact CD2-CB 4.14Å; Y764-A810 HydrophobicContact CE1-CB 3.95Å; Y764-A810 HydrophobicContact CG-CB 3.53Å; Y764-M813 HydrophobicContact CD1-SD 4.19Å; Y764-M813 HydrophobicContact CE1-CB 4.22Å; Y764-K814 WeakPolarHBondContact OH-CD 3.36Å
765	L	78.9	Confident	70.2	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.193	C	C	.	.			trans	-125.9	57	-174.4	-62.4	-176.2	0	0	0	111.9	L598 L761 N767 Y768 L787 F792 L806	L598-L765 HydrophobicContact CD1-CD1 4.26Å; L598-L765 HydrophobicContact CD1-CD2 4.29Å; L598-L765 HydrophobicContact CD1-CG 4.21Å; L598-L765 HydrophobicContact CD2-CD1 4.12Å; L598-L765 HydrophobicContact CG-CD1 4.37Å; L761-L765 HydrophobicContact CD2-CD1 3.96Å; L761-L765 CarbonylContact O-C 3.43Å; L761-L765 WeakPolarHBondContact O-CA 3.49Å; L761-L765 WeakPolarHBondContact O-CB 3.26Å; L761-L765 PolarHBondContact O-N 3.32Å; L765-N767 PolarHBondContact O-N 2.87Å; L765-Y768 HydrophobicContact CB-CD2 3.96Å; L765-Y768 HydrophobicContact CD1-CD2 4.45Å; L765-Y768 HydrophobicContact CD2-CD2 4.06Å; L765-Y768 HydrophobicContact CD2-CE2 4.26Å; L765-Y768 HydrophobicContact CG-CD2 4.38Å; L765-Y768 PolarHBondContact O-N 3.45Å; L765-Y768 VanDerWaalsContact O-N 3.13Å; L765-L787 HydrophobicContact CD1-CD2 4.15Å; L765-F792 HydrophobicContact CD1-CD2 4.35Å; L765-F792 HydrophobicContact CD1-CE2 3.77Å; L765-F792 HydrophobicContact CD1-CZ 4.22Å; L765-F792 HydrophobicContact CD2-CE2 4.01Å; L765-F792 HydrophobicContact CD2-CZ 4.35Å; L765-L806 HydrophobicContact CD2-CB 4.5Å; L765-L806 HydrophobicContact CD2-CD1 4Å; L765-L806 HydrophobicContact CD2-CD2 4.27Å; L765-L806 HydrophobicContact CD2-CG 4.5Å
766	P	69.3	Low	68.6	Low	35 Å²	35	43.2 Å²	43.2	23%	0.227	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.6	-31.2	-175	27	-36.3	0	0	0	113.2	R762 Y764 Y768 S769	R762-P766 WeakPolarHBondContact O-CA 3.36Å; Y764-P766 VanDerWaalsContact C-CD 3.41Å; Y764-P766 WeakPolarHBondContact O-CD 3.18Å; P766-Y768 PolarHBondContact O-N 3.31Å; P766-S769 WeakPolarHBondContact O-CB 3.34Å; P766-S769 PolarHBondContact O-N 3.38Å; P766-S769 PolarHBondContact O-OG 2.89Å
767	N	70.3	Confident	67.2	Low	117 Å²	117	47.4 Å²	47.4	63%	0.626	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-71.7	-17	-178.9	-62.2	-10.6	0	0	0	113.4	L765	L765-N767 PolarHBondContact O-N 2.87Å
768	Y	70.7	Confident	66	Low	35 Å²	35	52.7 Å²	52.7	14%	0.137	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-109	23.2	-178.5	-52.6	-61.7	0	0	0	111.6	L765 P766 F779 H780 F781 L787 F795 L806	L765-Y768 HydrophobicContact CB-CD2 3.96Å; L765-Y768 HydrophobicContact CD1-CD2 4.45Å; L765-Y768 HydrophobicContact CD2-CD2 4.06Å; L765-Y768 HydrophobicContact CD2-CE2 4.26Å; L765-Y768 HydrophobicContact CG-CD2 4.38Å; L765-Y768 PolarHBondContact O-N 3.45Å; L765-Y768 VanDerWaalsContact O-N 3.13Å; P766-Y768 PolarHBondContact O-N 3.31Å; Y768-F779 AromaticContact CD1-CD1 3.32Å; Y768-F779 HydrophobicContact CD1-CD1 3.32Å; Y768-F779 AromaticContact CD1-CE1 3.54Å; Y768-F779 HydrophobicContact CD1-CE1 3.54Å; Y768-F779 HydrophobicContact CD1-CG 4.38Å; Y768-F779 WeakPolarHBondContact CD1-O 3.1Å; Y768-F779 AromaticContact CE1-CD1 3.2Å; Y768-F779 HydrophobicContact CE1-CD1 3.2Å; Y768-F779 AromaticContact CE1-CE1 3.14Å; Y768-F779 HydrophobicContact CE1-CE1 3.14Å; Y768-F779 HydrophobicContact CE1-CZ 4.43Å; Y768-F779 HydrophobicContact CG-CD1 4.45Å; Y768-F779 HydrophobicContact CG-CE1 4.44Å; Y768-F779 AromaticContact CZ-CE1 3.73Å; Y768-H780 CarbonylContact O-C 3.55Å; Y768-H780 WeakPolarHBondContact O-CA 3.44Å; Y768-H780 VanDerWaalsContact O-CB 3.24Å; Y768-H780 WeakPolarHBondContact O-CB 3.19Å; Y768-F781 WeakPolarHBondContact O-CD1 3.3Å; Y768-F781 PolarHBondContact O-N 3.3Å; Y768-L787 HydrophobicContact CG-CD2 4.4Å; Y768-F795 HydrophobicContact CE2-CE1 4.49Å; Y768-F795 WeakPolarHBondContact OH-CE2 3.28Å; Y768-F795 WeakPolarHBondContact OH-CZ 3.32Å; Y768-L806 HydrophobicContact CE2-CD1 3.94Å
769	S	67.5	Low	65.1	Low	2 Å²	2	55.2 Å²	55.2	1%	0.014	28%	0.284	C	S	.	.			trans	-72.1	148.7	179.3	66.1	0	0	0	0	111.7	P766 E771 V772	P766-S769 WeakPolarHBondContact O-CB 3.34Å; P766-S769 PolarHBondContact O-N 3.38Å; P766-S769 PolarHBondContact O-OG 2.89Å; S769-E771 PolarHBondContact O-N 3.46Å; S769-V772 PolarHBondContact O-N 2.89Å
770	P	61.7	Low	64.9	Low	8 Å²	8	56 Å²	56	5%	0.052	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-7.4	175.9	-17.5	28.3	0	0	0	114.5	D644 M648 I773 F781	D644-P770 HydrophobicContact CB-CB 4.48Å; M648-P770 HydrophobicContact CG-CB 4.45Å; M648-P770 HydrophobicContact SD-CB 3.82Å; P770-I773 WeakPolarHBondContact O-CG1 3.42Å; P770-F781 VanDerWaalsContact CD-CE2 3.5Å; P770-F781 HydrophobicContact CG-CD2 4.01Å; P770-F781 HydrophobicContact CG-CE2 3.75Å; P770-F781 HydrophobicContact CG-CZ 4.19Å
771	E	57.5	Low	64.4	Low	38 Å²	38	56.1 Å²	56.1	18%	0.178	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-27.9	-180	-75.6	160.4	-179.3	0	0	113	M648 S682 F683 S769 I773	M648-E771 HydrophobicContact CE-CB 4.3Å; M648-E771 HydrophobicContact CE-CG 3.09Å; M648-E771 HydrophobicContact CG-CG 4.44Å; M648-E771 HydrophobicContact SD-CG 3.75Å; S682-E771 WeakPolarHBondContact CA-OE2 3.12Å; S682-E771 WeakPolarHBondContact CB-OE2 3.36Å; S682-E771 VanDerWaalsContact O-OE2 3.11Å; S682-E771 PolarHBondContact OG-OE2 3.11Å; F683-E771 WeakPolarHBondContact CA-OE1 3.39Å; F683-E771 WeakPolarHBondContact CB-OE1 3.18Å; F683-E771 HydrophobicContact CD2-CG 4.37Å; F683-E771 PolarHBondContact N-OE1 3.49Å; F683-E771 PolarHBondContact N-OE2 3.16Å; S769-E771 PolarHBondContact O-N 3.46Å; E771-I773 PolarHBondContact O-N 3.22Å
772	V	52.6	Low	64.2	Low	58 Å²	58	56.2 Å²	56.2	35%	0.352	29%	0.289	S	S	.	.			trans	-82	65.5	179.6	-168.2	0	0	0	0	108.5	S769 H774	S769-V772 PolarHBondContact O-N 2.89Å; V772-H774 WeakPolarHBondContact CG1-CD2 3.06Å; V772-H774 PolarHBondContact O-N 3.43Å
773	I	46	Very low	64.4	Low	131 Å²	131	56.4 Å²	56.4	67%	0.672	29%	0.291	S	S	*	.			trans	-74.3	68	166.9	-48.8	176	0	0	0	106.7	P770 E771	P770-I773 WeakPolarHBondContact O-CG1 3.42Å; E771-I773 PolarHBondContact O-N 3.22Å
774	H	39.6	Very low	64.3	Low	120 Å²	120	58.8 Å²	58.8	56%	0.556	30%	0.303	S	S	*	.			trans	-69.4	126.3	151.4	-76	-48.4	0	0	0	105.4	V772 K776 N777	V772-H774 WeakPolarHBondContact CG1-CD2 3.06Å; V772-H774 PolarHBondContact O-N 3.43Å; H774-K776 PolarHBondContact O-N 3.36Å; H774-N777 HydrophobicContact CB-CB 4.3Å; H774-N777 PolarHBondContact O-N 3.43Å
775	P	43	Very low	63.8	Low	125 Å²	125	59.3 Å²	59.3	81%	0.812	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	10.3	-176	22.2	-32.4	0	0	0	114.8
776	K	46.1	Very low	63.4	Low	196 Å²	196	61.8 Å²	61.8	85%	0.852	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	-2.3	179.8	-66.8	-173	175.8	-176.8	0	114.4	H774	H774-K776 PolarHBondContact O-N 3.36Å
777	N	50.7	Low	63.6	Low	98 Å²	98	60.1 Å²	60.1	52%	0.524	32%	0.315	S	S	.	.			trans	-117.2	87.4	-173	-120	-0.5	0	0	0	112	H774 F779	H774-N777 HydrophobicContact CB-CB 4.3Å; H774-N777 PolarHBondContact O-N 3.43Å; N777-F779 PolarHBondContact O-N 3.25Å
778	N	60.4	Low	63.8	Low	110 Å²	110	58.2 Å²	58.2	59%	0.588	30%	0.302	S	S	*	.			trans	-68.1	4	172.7	-64.6	-2.5	0	0	0	112.5	H780 G785 S786	N778-H780 PolarHBondContact O-N 2.79Å; N778-H780 VanDerWaalsContact O-N 3.13Å; N778-G785 CarbonylContact O-C 3.6Å; N778-G785 WeakPolarHBondContact O-CA 3.14Å; N778-S786 PolarHBondContact O-N 3.02Å; N778-S786 PolarHBondContact O-OG 2.79Å
779	F	64.6	Low	63.8	Low	56 Å²	56	57.4 Å²	57.4	25%	0.246	30%	0.301	C	S	.	.			trans	-91.9	68.9	-172.5	-159.7	-117.7	0	0	0	112.2	Y768 N777 L787 T791 F795	Y768-F779 AromaticContact CD1-CD1 3.32Å; Y768-F779 HydrophobicContact CD1-CD1 3.32Å; Y768-F779 AromaticContact CD1-CE1 3.54Å; Y768-F779 HydrophobicContact CD1-CE1 3.54Å; Y768-F779 HydrophobicContact CD1-CG 4.38Å; Y768-F779 WeakPolarHBondContact CD1-O 3.1Å; Y768-F779 AromaticContact CE1-CD1 3.2Å; Y768-F779 HydrophobicContact CE1-CD1 3.2Å; Y768-F779 AromaticContact CE1-CE1 3.14Å; Y768-F779 HydrophobicContact CE1-CE1 3.14Å; Y768-F779 HydrophobicContact CE1-CZ 4.43Å; Y768-F779 HydrophobicContact CG-CD1 4.45Å; Y768-F779 HydrophobicContact CG-CE1 4.44Å; Y768-F779 AromaticContact CZ-CE1 3.73Å; N777-F779 PolarHBondContact O-N 3.25Å; F779-L787 HydrophobicContact CD2-CD1 4.38Å; F779-L787 HydrophobicContact CE1-CD1 4.05Å; F779-L787 HydrophobicContact CE2-CD1 3.61Å; F779-L787 HydrophobicContact CZ-CD1 3.41Å; F779-L787 VanDerWaalsContact CZ-CD1 3.41Å; F779-T791 HydrophobicContact CE2-CG2 3.9Å; F779-F795 HydrophobicContact CZ-CD2 4.43Å; F779-F795 HydrophobicContact CZ-CG 4.47Å
780	H	76.5	Confident	64.1	Low	17 Å²	17	63.5 Å²	63.5	8%	0.079	33%	0.33	C	S	.	.	S	Bend	trans	-134.5	167.6	173.2	67.4	97.1	0	0	0	112.1	D644 Y768 N778 G782 M784 G785 L787	D644-H780 IonicContact OD2-CE1 3.13Å; Y768-H780 CarbonylContact O-C 3.55Å; Y768-H780 WeakPolarHBondContact O-CA 3.44Å; Y768-H780 VanDerWaalsContact O-CB 3.24Å; Y768-H780 WeakPolarHBondContact O-CB 3.19Å; N778-H780 PolarHBondContact O-N 2.79Å; N778-H780 VanDerWaalsContact O-N 3.13Å; H780-G782 VanDerWaalsContact C-N 3.3Å; H780-G782 WeakPolarHBondContact ND1-CA 3.27Å; H780-G782 PolarHBondContact ND1-N 3.34Å; H780-G782 PolarHBondContact O-N 2.91Å; H780-M784 VanDerWaalsContact NE2-C 3.28Å; H780-M784 WeakPolarHBondContact NE2-CB 3.1Å; H780-G785 PolarHBondContact CE1-N 2.89Å; H780-G785 VanDerWaalsContact CE1-N 3.25Å; H780-G785 WeakPolarHBondContact NE2-CA 3.46Å; H780-G785 PolarHBondContact NE2-N 2.03Å; H780-G785 CarbonylContact O-C 3.54Å; H780-G785 VanDerWaalsContact O-CA 3.31Å; H780-G785 WeakPolarHBondContact O-CA 3.48Å; H780-L787 VanDerWaalsContact O-CB 3.23Å; H780-L787 WeakPolarHBondContact O-CB 3.36Å; H780-L787 PolarHBondContact O-N 3.07Å
781	F	72.4	Confident	64.6	Low	7 Å²	7	65.3 Å²	65.3	3%	0.031	34%	0.341	C	S	.	.	S	Bend	trans	-83.2	2.8	-178.8	63.4	-106.4	0	0	0	115.1	L605 R609 L761 R762 Y768 P770 L787	L605-F781 HydrophobicContact CD1-CB 3.99Å; L605-F781 HydrophobicContact CD1-CD2 3.6Å; L605-F781 HydrophobicContact CD1-CE2 4.49Å; L605-F781 HydrophobicContact CD1-CG 4.16Å; L605-F781 WeakPolarHBondContact CD1-O 3.49Å; R609-F781 PolarHBondContact NH2-O 3.4Å; L761-F781 HydrophobicContact CB-CD1 3.91Å; L761-F781 HydrophobicContact CB-CD2 4.42Å; L761-F781 HydrophobicContact CB-CE1 3.88Å; L761-F781 HydrophobicContact CB-CE2 4.4Å; L761-F781 HydrophobicContact CB-CG 4.19Å; L761-F781 HydrophobicContact CB-CZ 4.14Å; L761-F781 HydrophobicContact CD1-CB 4.34Å; L761-F781 HydrophobicContact CD1-CD2 4.31Å; L761-F781 HydrophobicContact CD1-CG 4.25Å; R762-F781 HydrophobicContact CB-CZ 4.14Å; Y768-F781 WeakPolarHBondContact O-CD1 3.3Å; Y768-F781 PolarHBondContact O-N 3.3Å; P770-F781 VanDerWaalsContact CD-CE2 3.5Å; P770-F781 HydrophobicContact CG-CD2 4.01Å; P770-F781 HydrophobicContact CG-CE2 3.75Å; P770-F781 HydrophobicContact CG-CZ 4.19Å; F781-L787 HydrophobicContact CB-CD2 4.09Å
782	G	80	Confident	65.4	Low	2 Å²	2	64.1 Å²	64.1	2%	0.021	34%	0.335	C	S	.	.	S	Bend	trans	-74.2	-178.6	178.6	0	0	0	0	0	113.1	R609 D644 H780 M784 G785	R609-G782 PolarHBondContact NE-O 2.94Å; R609-G782 VanDerWaalsContact NE-O 3.15Å; R609-G782 PolarHBondContact NH2-O 3.32Å; D644-G782 WeakPolarHBondContact OD1-CA 3.22Å; H780-G782 VanDerWaalsContact C-N 3.3Å; H780-G782 WeakPolarHBondContact ND1-CA 3.27Å; H780-G782 PolarHBondContact ND1-N 3.34Å; H780-G782 PolarHBondContact O-N 2.91Å; G782-M784 VanDerWaalsContact C-N 3.3Å; G782-G785 PolarHBondContact O-N 3.09Å
783	L	82.3	Confident	66.3	Low	21 Å²	21	67.1 Å²	67.1	11%	0.11	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.6	171	-66.3	-179.3	0	0	0	111.9	Y608 R609 F612 A640 L643 D644 G785	Y608-L783 HydrophobicContact CD1-CD1 4.44Å; Y608-L783 HydrophobicContact CD1-CD2 3.57Å; Y608-L783 HydrophobicContact CD1-CG 4.07Å; Y608-L783 HydrophobicContact CE1-CD1 3.66Å; Y608-L783 HydrophobicContact CE1-CD2 3.65Å; Y608-L783 HydrophobicContact CE1-CG 3.65Å; Y608-L783 HydrophobicContact CG-CD2 4.39Å; R609-L783 HydrophobicContact CB-CD2 4.39Å; R609-L783 HydrophobicContact CG-CD2 3.72Å; F612-L783 HydrophobicContact CB-CD1 4.21Å; F612-L783 HydrophobicContact CB-CD2 3.87Å; F612-L783 HydrophobicContact CD1-CD1 4.27Å; F612-L783 HydrophobicContact CD1-CD2 4.3Å; F612-L783 HydrophobicContact CD2-CD1 3.88Å; F612-L783 HydrophobicContact CE2-CD1 4.35Å; F612-L783 HydrophobicContact CG-CD1 3.84Å; F612-L783 HydrophobicContact CG-CD2 4.13Å; A640-L783 HydrophobicContact CB-CB 4.04Å; L643-L783 HydrophobicContact CB-CD1 3.49Å; L643-L783 VanDerWaalsContact CB-CD1 3.49Å; L643-L783 HydrophobicContact CD1-CD1 3.74Å; L643-L783 HydrophobicContact CG-CD1 4.28Å; D644-L783 VanDerWaalsContact CG-N 3.27Å; D644-L783 PolarHBondContact OD1-N 2.95Å; D644-L783 PolarHBondContact OD2-N 3.29Å; L783-G785 PolarHBondContact O-N 3.4Å
784	M	75.8	Confident	67.6	Low	56 Å²	56	67.2 Å²	67.2	28%	0.276	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.5	174.8	-75.3	-56.4	-40.8	0	0	113.9	N637 A640 E641 D644 H780 G782	N637-M784 HydrophobicContact CB-CE 4.48Å; N637-M784 HydrophobicContact CB-SD 4.12Å; A640-M784 HydrophobicContact CB-CG 3.84Å; A640-M784 HydrophobicContact CB-SD 3.46Å; A640-M784 WeakPolarHBondContact CB-SD 3.45Å; E641-M784 HydrophobicContact CG-CG 4.09Å; D644-M784 PolarHBondContact OD2-N 3.11Å; H780-M784 VanDerWaalsContact NE2-C 3.28Å; H780-M784 WeakPolarHBondContact NE2-CB 3.1Å; G782-M784 VanDerWaalsContact C-N 3.3Å
785	G	73.2	Confident	69.1	Low	12 Å²	12	63 Å²	63	12%	0.124	32%	0.319	C	S	.	.			trans	-105.7	157.6	-170.9	0	0	0	0	0	114.5	R609 N778 H780 G782 L783	R609-G785 PolarHBondContact NH2-O 3.03Å; N778-G785 CarbonylContact O-C 3.6Å; N778-G785 WeakPolarHBondContact O-CA 3.14Å; H780-G785 PolarHBondContact CE1-N 2.89Å; H780-G785 VanDerWaalsContact CE1-N 3.25Å; H780-G785 WeakPolarHBondContact NE2-CA 3.46Å; H780-G785 PolarHBondContact NE2-N 2.03Å; H780-G785 CarbonylContact O-C 3.54Å; H780-G785 VanDerWaalsContact O-CA 3.31Å; H780-G785 WeakPolarHBondContact O-CA 3.48Å; G782-G785 PolarHBondContact O-N 3.09Å; L783-G785 PolarHBondContact O-N 3.4Å
786	S	71.3	Confident	70.3	Confident	53 Å²	53	59.3 Å²	59.3	37%	0.371	29%	0.292	S	S	.	.			trans	-94.7	3.9	-177.9	62.7	0	0	0	0	114.5	N778 E788 T791	N778-S786 PolarHBondContact O-N 3.02Å; N778-S786 PolarHBondContact O-OG 2.79Å; S786-E788 VanDerWaalsContact C-N 3.31Å; S786-E788 PolarHBondContact O-N 2.86Å; S786-T791 PolarHBondContact O-OG1 2.56Å
787	L	74	Confident	71.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.			trans	-75.6	82.3	-179.7	-166.8	73.3	0	0	0	110.8	L602 R609 L765 Y768 F779 H780 F781 F792	L602-L787 HydrophobicContact CD2-CD2 4.43Å; R609-L787 VanDerWaalsContact NH1-C 3.32Å; R609-L787 PolarHBondContact NH1-O 3.02Å; R609-L787 PolarHBondContact NH2-O 3.25Å; R609-L787 VanDerWaalsContact NH2-O 3.1Å; L765-L787 HydrophobicContact CD1-CD2 4.15Å; Y768-L787 HydrophobicContact CG-CD2 4.4Å; F779-L787 HydrophobicContact CD2-CD1 4.38Å; F779-L787 HydrophobicContact CE1-CD1 4.05Å; F779-L787 HydrophobicContact CE2-CD1 3.61Å; F779-L787 HydrophobicContact CZ-CD1 3.41Å; F779-L787 VanDerWaalsContact CZ-CD1 3.41Å; H780-L787 VanDerWaalsContact O-CB 3.23Å; H780-L787 WeakPolarHBondContact O-CB 3.36Å; H780-L787 PolarHBondContact O-N 3.07Å; F781-L787 HydrophobicContact CB-CD2 4.09Å; L787-F792 HydrophobicContact CD1-CB 4.22Å; L787-F792 HydrophobicContact CD1-CD2 4.07Å
788	E	73.1	Confident	72.5	Confident	77 Å²	77	56 Å²	56	36%	0.36	29%	0.287	S	S	.	.			trans	-90.2	161.7	174.3	-72.4	-179.8	175.5	0	0	111.9	R609 S786 E790 T791 F792	R609-E788 VanDerWaalsContact NH1-CG 3.26Å; S786-E788 VanDerWaalsContact C-N 3.31Å; S786-E788 PolarHBondContact O-N 2.86Å; E788-E790 PolarHBondContact O-N 3.36Å; E788-T791 PolarHBondContact O-N 3.2Å; E788-F792 VanDerWaalsContact O-CB 3.29Å; E788-F792 WeakPolarHBondContact O-CB 3.45Å; E788-F792 PolarHBondContact O-N 2.91Å
789	P	72.6	Confident	73.1	Confident	18 Å²	18	53.5 Å²	53.5	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-52	-38.3	174.8	-24.6	31.8	0	0	0	113.1	L602 D606 K793	L602-P789 HydrophobicContact CB-CG 4.1Å; D606-P789 HydrophobicContact CB-CG 4.06Å; P789-K793 WeakPolarHBondContact O-CB 3.37Å; P789-K793 VanDerWaalsContact O-CG 3.22Å; P789-K793 WeakPolarHBondContact O-CG 3.17Å; P789-K793 PolarHBondContact O-N 2.8Å
790	E	73.8	Confident	73.6	Confident	130 Å²	130	55.5 Å²	55.5	61%	0.607	29%	0.286	S	S	*	.	H	α-helix	trans	-73	-45.8	177.9	-64.1	-170.3	174.9	0	0	112.5	E788 F792 K793 K794	E788-E790 PolarHBondContact O-N 3.36Å; E790-F792 VanDerWaalsContact C-N 3.26Å; E790-F792 PolarHBondContact O-N 2.83Å; E790-K793 WeakPolarHBondContact O-CB 3.22Å; E790-K793 PolarHBondContact O-N 2.55Å; E790-K794 WeakPolarHBondContact O-CG 3.49Å; E790-K794 PolarHBondContact O-N 3.35Å
791	T	71.8	Confident	73.7	Confident	47 Å²	47	63.1 Å²	63.1	29%	0.288	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-38.8	174.9	-47.1	0	0	0	0	111.3	F779 S786 E788 K794 F795	F779-T791 HydrophobicContact CE2-CG2 3.9Å; S786-T791 PolarHBondContact O-OG1 2.56Å; E788-T791 PolarHBondContact O-N 3.2Å; T791-K794 PolarHBondContact O-N 3.25Å; T791-F795 WeakPolarHBondContact O-CB 3.4Å; T791-F795 PolarHBondContact O-N 3.07Å
792	F	73	Confident	73.7	Confident	12 Å²	12	65 Å²	65	5%	0.053	33%	0.333	C	S	.	.	H	α-helix	trans	-68.7	-41.7	175.4	-175	-107.3	0	0	0	111.8	L598 L602 L765 L787 E788 E790 K794 F795 L796	L598-F792 HydrophobicContact CD1-CE1 3.99Å; L598-F792 HydrophobicContact CD1-CZ 3.61Å; L598-F792 HydrophobicContact CD2-CD1 3.76Å; L598-F792 HydrophobicContact CD2-CE1 3.13Å; L598-F792 HydrophobicContact CD2-CE2 4.24Å; L598-F792 HydrophobicContact CD2-CZ 3.42Å; L598-F792 VanDerWaalsContact CD2-CZ 3.42Å; L598-F792 HydrophobicContact CG-CE1 4.15Å; L598-F792 HydrophobicContact CG-CZ 4.15Å; L602-F792 HydrophobicContact CD1-CB 3.69Å; L602-F792 HydrophobicContact CD1-CD1 3.37Å; L602-F792 HydrophobicContact CD1-CD2 4.43Å; L602-F792 HydrophobicContact CD1-CE1 4.11Å; L602-F792 HydrophobicContact CD1-CG 3.56Å; L765-F792 HydrophobicContact CD1-CD2 4.35Å; L765-F792 HydrophobicContact CD1-CE2 3.77Å; L765-F792 HydrophobicContact CD1-CZ 4.22Å; L765-F792 HydrophobicContact CD2-CE2 4.01Å; L765-F792 HydrophobicContact CD2-CZ 4.35Å; L787-F792 HydrophobicContact CD1-CB 4.22Å; L787-F792 HydrophobicContact CD1-CD2 4.07Å; E788-F792 VanDerWaalsContact O-CB 3.29Å; E788-F792 WeakPolarHBondContact O-CB 3.45Å; E788-F792 PolarHBondContact O-N 2.91Å; E790-F792 VanDerWaalsContact C-N 3.26Å; E790-F792 PolarHBondContact O-N 2.83Å; F792-K794 VanDerWaalsContact C-N 3.32Å; F792-K794 PolarHBondContact O-N 3.36Å; F792-F795 HydrophobicContact CD2-CD1 4.17Å; F792-F795 HydrophobicContact CE2-CD1 4.14Å; F792-F795 WeakPolarHBondContact O-CB 3.43Å; F792-F795 PolarHBondContact O-N 3.41Å; F792-L796 HydrophobicContact CD1-CD1 3.78Å; F792-L796 HydrophobicContact CD1-CG 4.1Å; F792-L796 HydrophobicContact CE1-CD1 3.3Å; F792-L796 HydrophobicContact CE1-CD2 4.07Å; F792-L796 HydrophobicContact CE1-CG 3.7Å; F792-L796 HydrophobicContact CE2-CD2 4.24Å; F792-L796 HydrophobicContact CE2-CG 4.3Å; F792-L796 HydrophobicContact CZ-CD1 3.87Å; F792-L796 HydrophobicContact CZ-CD2 3.72Å; F792-L796 HydrophobicContact CZ-CG 3.82Å; F792-L796 WeakPolarHBondContact O-CB 3.18Å; F792-L796 VanDerWaalsContact O-CG 3.3Å; F792-L796 WeakPolarHBondContact O-CG 3.14Å; F792-L796 PolarHBondContact O-N 2.77Å
793	K	71.4	Confident	73.4	Confident	122 Å²	122	65 Å²	65	53%	0.53	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-43	171.8	-78.3	172.8	-179.4	-176.8	0	111.7	P789 E790 L796 A797	P789-K793 WeakPolarHBondContact O-CB 3.37Å; P789-K793 VanDerWaalsContact O-CG 3.22Å; P789-K793 WeakPolarHBondContact O-CG 3.17Å; P789-K793 PolarHBondContact O-N 2.8Å; E790-K793 WeakPolarHBondContact O-CB 3.22Å; E790-K793 PolarHBondContact O-N 2.55Å; K793-L796 PolarHBondContact O-N 3.39Å; K793-A797 WeakPolarHBondContact O-CB 3.47Å; K793-A797 PolarHBondContact O-N 3.35Å
794	K	74.7	Confident	73.2	Confident	132 Å²	132	68.4 Å²	68.4	57%	0.574	35%	0.352	S	S	*	.	H	α-helix	trans	-61.8	-47.6	174.2	-72.6	176.1	-178.1	176.7	0	110.6	E790 T791 F792 L796 A797 H798	E790-K794 WeakPolarHBondContact O-CG 3.49Å; E790-K794 PolarHBondContact O-N 3.35Å; T791-K794 PolarHBondContact O-N 3.25Å; F792-K794 VanDerWaalsContact C-N 3.32Å; F792-K794 PolarHBondContact O-N 3.36Å; K794-L796 VanDerWaalsContact C-N 3.34Å; K794-L796 PolarHBondContact O-N 3.47Å; K794-A797 PolarHBondContact O-N 3.34Å; K794-A797 VanDerWaalsContact O-N 3.08Å; K794-H798 PolarHBondContact O-N 3.01Å; K794-H798 PolarHBondContact O-ND1 3.32Å
795	F	70.5	Confident	73.5	Confident	31 Å²	31	72.8 Å²	72.8	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-57	-46.1	175.5	169.9	-99.8	0	0	0	112.1	Y768 F779 T791 F792 A797 H798 D799 L806	Y768-F795 HydrophobicContact CE2-CE1 4.49Å; Y768-F795 WeakPolarHBondContact OH-CE2 3.28Å; Y768-F795 WeakPolarHBondContact OH-CZ 3.32Å; F779-F795 HydrophobicContact CZ-CD2 4.43Å; F779-F795 HydrophobicContact CZ-CG 4.47Å; T791-F795 WeakPolarHBondContact O-CB 3.4Å; T791-F795 PolarHBondContact O-N 3.07Å; F792-F795 HydrophobicContact CD2-CD1 4.17Å; F792-F795 HydrophobicContact CE2-CD1 4.14Å; F792-F795 WeakPolarHBondContact O-CB 3.43Å; F792-F795 PolarHBondContact O-N 3.41Å; F795-A797 VanDerWaalsContact C-N 3.25Å; F795-A797 PolarHBondContact O-N 2.86Å; F795-H798 PolarHBondContact O-N 2.86Å; F795-D799 HydrophobicContact CD2-CB 4.43Å; F795-D799 HydrophobicContact CE2-CB 4.09Å; F795-D799 PolarHBondContact O-N 3.35Å; F795-L806 HydrophobicContact CE1-CD1 3.78Å; F795-L806 HydrophobicContact CZ-CD1 4.05Å
796	L	69.3	Low	73.9	Confident	49 Å²	49	73.2 Å²	73.2	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-32.4	176.2	-72.2	-179	0	0	0	113.1	F792 K793 K794 A803 I807	F792-L796 HydrophobicContact CD1-CD1 3.78Å; F792-L796 HydrophobicContact CD1-CG 4.1Å; F792-L796 HydrophobicContact CE1-CD1 3.3Å; F792-L796 HydrophobicContact CE1-CD2 4.07Å; F792-L796 HydrophobicContact CE1-CG 3.7Å; F792-L796 HydrophobicContact CE2-CD2 4.24Å; F792-L796 HydrophobicContact CE2-CG 4.3Å; F792-L796 HydrophobicContact CZ-CD1 3.87Å; F792-L796 HydrophobicContact CZ-CD2 3.72Å; F792-L796 HydrophobicContact CZ-CG 3.82Å; F792-L796 WeakPolarHBondContact O-CB 3.18Å; F792-L796 VanDerWaalsContact O-CG 3.3Å; F792-L796 WeakPolarHBondContact O-CG 3.14Å; F792-L796 PolarHBondContact O-N 2.77Å; K793-L796 PolarHBondContact O-N 3.39Å; K794-L796 VanDerWaalsContact C-N 3.34Å; K794-L796 PolarHBondContact O-N 3.47Å; L796-A803 HydrophobicContact CB-CB 4.45Å; L796-A803 HydrophobicContact CD2-CB 3.51Å; L796-I807 HydrophobicContact CD2-CD1 4.22Å
797	A	70.4	Confident	74.6	Confident	64 Å²	64	71.6 Å²	71.6	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-79.8	-36.8	179.1	0	0	0	0	0	113.1	K793 K794 F795	K793-A797 WeakPolarHBondContact O-CB 3.47Å; K793-A797 PolarHBondContact O-N 3.35Å; K794-A797 PolarHBondContact O-N 3.34Å; K794-A797 VanDerWaalsContact O-N 3.08Å; F795-A797 VanDerWaalsContact C-N 3.25Å; F795-A797 PolarHBondContact O-N 2.86Å
798	H	72.1	Confident	75.2	Confident	160 Å²	160	73.4 Å²	73.4	74%	0.741	37%	0.365	S	S	*	.	H	α-helix	trans	-89.7	-32.8	-173.8	-67.7	74.3	0	0	0	113	K794 F795	K794-H798 PolarHBondContact O-N 3.01Å; K794-H798 PolarHBondContact O-ND1 3.32Å; F795-H798 PolarHBondContact O-N 2.86Å
799	D	73.1	Confident	75.8	Confident	58 Å²	58	70.7 Å²	70.7	31%	0.31	35%	0.352	S	S	.	.			trans	-114.6	67	178.1	-168.7	-9.3	0	0	0	110.5	F795 K801 S802 A803	F795-D799 HydrophobicContact CD2-CB 4.43Å; F795-D799 HydrophobicContact CE2-CB 4.09Å; F795-D799 PolarHBondContact O-N 3.35Å; D799-K801 PolarHBondContact O-N 3.41Å; D799-K801 VanDerWaalsContact O-N 3.15Å; D799-S802 PolarHBondContact O-N 3.02Å; D799-S802 WeakPolarHBondContact OD1-CB 3.44Å; D799-S802 PolarHBondContact OD1-N 2.78Å; D799-S802 PolarHBondContact OD1-OG 2.92Å; D799-S802 VanDerWaalsContact OD1-OG 3.11Å; D799-S802 WeakPolarHBondContact OD2-CB 3.42Å; D799-S802 PolarHBondContact OD2-OG 3.33Å; D799-A803 WeakPolarHBondContact O-CB 3.24Å; D799-A803 PolarHBondContact O-N 2.84Å
800	I	75.1	Confident	76.6	Confident	98 Å²	98	69.9 Å²	69.9	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-54.5	-35.8	-178.3	-61.3	173.2	0	0	0	110.9	N804	I800-N804 WeakPolarHBondContact CG2-ND2 3.35Å; I800-N804 WeakPolarHBondContact O-CB 3.44Å; I800-N804 PolarHBondContact O-N 2.83Å; I800-N804 PolarHBondContact O-ND2 3.04Å
801	K	77.6	Confident	77.3	Confident	177 Å²	177	63.7 Å²	63.7	77%	0.77	32%	0.317	S	S	*	.	H	α-helix	trans	-68.7	-49.9	-179	-169.6	175.8	-178.1	175.9	0	111.6	D799 K805	D799-K801 PolarHBondContact O-N 3.41Å; D799-K801 VanDerWaalsContact O-N 3.15Å; K801-K805 PolarHBondContact O-N 3.2Å; K801-K805 VanDerWaalsContact O-N 3.09Å
802	S	73.6	Confident	78.1	Confident	46 Å²	46	61.7 Å²	61.7	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-38.9	176.4	-61.6	0	0	0	0	111.8	D799 K805 L806	D799-S802 PolarHBondContact O-N 3.02Å; D799-S802 WeakPolarHBondContact OD1-CB 3.44Å; D799-S802 PolarHBondContact OD1-N 2.78Å; D799-S802 PolarHBondContact OD1-OG 2.92Å; D799-S802 VanDerWaalsContact OD1-OG 3.11Å; D799-S802 WeakPolarHBondContact OD2-CB 3.42Å; D799-S802 PolarHBondContact OD2-OG 3.33Å; S802-K805 PolarHBondContact O-N 3.15Å; S802-L806 WeakPolarHBondContact O-CB 3.05Å; S802-L806 WeakPolarHBondContact O-CG 3.47Å; S802-L806 PolarHBondContact O-N 3.3Å
803	A	72.2	Confident	78.7	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-50.2	174.9	0	0	0	0	0	111.7	L796 D799 K805 L806 I807	L796-A803 HydrophobicContact CB-CB 4.45Å; L796-A803 HydrophobicContact CD2-CB 3.51Å; D799-A803 WeakPolarHBondContact O-CB 3.24Å; D799-A803 PolarHBondContact O-N 2.84Å; A803-K805 VanDerWaalsContact C-N 3.33Å; A803-K805 PolarHBondContact O-N 2.93Å; A803-L806 PolarHBondContact O-N 3.39Å; A803-I807 WeakPolarHBondContact O-CB 3.44Å; A803-I807 VanDerWaalsContact O-CG1 3.27Å; A803-I807 WeakPolarHBondContact O-CG1 3.46Å; A803-I807 PolarHBondContact O-N 2.99Å
804	N	79.6	Confident	79.4	Confident	92 Å²	92	55.4 Å²	55.4	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-41.1	177.6	-76.7	-20.9	0	0	0	111.6	I800 I807 D808	I800-N804 WeakPolarHBondContact CG2-ND2 3.35Å; I800-N804 WeakPolarHBondContact O-CB 3.44Å; I800-N804 PolarHBondContact O-N 2.83Å; I800-N804 PolarHBondContact O-ND2 3.04Å; N804-I807 PolarHBondContact O-N 3.43Å; N804-D808 WeakPolarHBondContact O-CB 3.21Å; N804-D808 PolarHBondContact O-N 2.76Å
805	K	81.8	Confident	80	Confident	147 Å²	147	49.1 Å²	49.1	64%	0.639	25%	0.25	S	C	*	.	H	α-helix	trans	-63.2	-42.9	176.4	-171.6	177.1	-179.5	179.3	0	112.3	K801 S802 A803 R809	K801-K805 PolarHBondContact O-N 3.2Å; K801-K805 VanDerWaalsContact O-N 3.09Å; S802-K805 PolarHBondContact O-N 3.15Å; A803-K805 VanDerWaalsContact C-N 3.33Å; A803-K805 PolarHBondContact O-N 2.93Å; K805-R809 VanDerWaalsContact O-CB 3.26Å; K805-R809 WeakPolarHBondContact O-CB 3.44Å; K805-R809 PolarHBondContact O-N 2.92Å
806	L	81.3	Confident	80.5	Confident	21 Å²	21	47.9 Å²	47.9	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-44.6	177.9	-73.1	167.6	0	0	0	111.8	L765 Y768 F795 S802 A803 A810	L765-L806 HydrophobicContact CD2-CB 4.5Å; L765-L806 HydrophobicContact CD2-CD1 4Å; L765-L806 HydrophobicContact CD2-CD2 4.27Å; L765-L806 HydrophobicContact CD2-CG 4.5Å; Y768-L806 HydrophobicContact CE2-CD1 3.94Å; F795-L806 HydrophobicContact CE1-CD1 3.78Å; F795-L806 HydrophobicContact CZ-CD1 4.05Å; S802-L806 WeakPolarHBondContact O-CB 3.05Å; S802-L806 WeakPolarHBondContact O-CG 3.47Å; S802-L806 PolarHBondContact O-N 3.3Å; A803-L806 PolarHBondContact O-N 3.39Å; L806-A810 VanDerWaalsContact O-CB 3.29Å; L806-A810 WeakPolarHBondContact O-CB 3.4Å; L806-A810 PolarHBondContact O-N 2.99Å
807	I	86	Confident	81	Confident	19 Å²	19	45.6 Å²	45.6	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-46	178.2	-67.8	167.8	0	0	0	110.5	V591 Q595 L796 A803 N804 R809 A810 V811	V591-I807 HydrophobicContact CG1-CG2 4.01Å; V591-I807 HydrophobicContact CG2-CG2 4.38Å; Q595-I807 HydrophobicContact CG-CD1 4.36Å; L796-I807 HydrophobicContact CD2-CD1 4.22Å; A803-I807 WeakPolarHBondContact O-CB 3.44Å; A803-I807 VanDerWaalsContact O-CG1 3.27Å; A803-I807 WeakPolarHBondContact O-CG1 3.46Å; A803-I807 PolarHBondContact O-N 2.99Å; N804-I807 PolarHBondContact O-N 3.43Å; I807-R809 PolarHBondContact O-N 2.97Å; I807-A810 PolarHBondContact O-N 2.83Å; I807-V811 HydrophobicContact CG2-CG2 4.45Å; I807-V811 VanDerWaalsContact O-CG2 3.31Å; I807-V811 WeakPolarHBondContact O-CG2 2.97Å; I807-V811 PolarHBondContact O-N 2.93Å
808	D	87	Confident	81.6	Confident	38 Å²	38	42.6 Å²	42.6	20%	0.203	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-44.9	179.8	-170.1	61.3	0	0	0	110.9	K587 N804 A810 V811 Y812 Y867	K587-D808 WeakPolarHBondContact CE-OD1 3.44Å; K587-D808 IonicContact NZ-OD1 2.77Å; K587-D808 PolarHBondContact NZ-OD1 3.35Å; N804-D808 WeakPolarHBondContact O-CB 3.21Å; N804-D808 PolarHBondContact O-N 2.76Å; D808-A810 PolarHBondContact O-N 2.72Å; D808-V811 WeakPolarHBondContact O-CB 3.04Å; D808-V811 PolarHBondContact O-N 3.02Å; D808-Y812 VanDerWaalsContact CG-CE2 3.5Å; D808-Y812 WeakPolarHBondContact O-CD2 3.36Å; D808-Y812 VanDerWaalsContact O-CE2 3.31Å; D808-Y812 WeakPolarHBondContact O-CE2 3.5Å; D808-Y812 PolarHBondContact O-N 3.49Å; D808-Y812 WeakPolarHBondContact OD1-CE2 3.48Å; D808-Y812 PolarHBondContact OD1-OH 3.25Å; D808-Y812 WeakPolarHBondContact OD2-CE2 3.4Å; D808-Y867 PolarHBondContact OD2-OH 3.12Å
809	R	85.4	Confident	82	Confident	21 Å²	21	37.6 Å²	37.6	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-48.7	171.1	-179.5	-178.9	174.7	-82.8	-3.5	112.3	R763 K805 I807 V811 Y812 M813 Y867 D871	R763-R809 PolarHBondContact O-NH1 3.27Å; K805-R809 VanDerWaalsContact O-CB 3.26Å; K805-R809 WeakPolarHBondContact O-CB 3.44Å; K805-R809 PolarHBondContact O-N 2.92Å; I807-R809 PolarHBondContact O-N 2.97Å; R809-V811 VanDerWaalsContact C-N 3.28Å; R809-V811 PolarHBondContact O-N 2.81Å; R809-Y812 PolarHBondContact O-N 3.13Å; R809-M813 VanDerWaalsContact NH1-CE 3.32Å; R809-M813 PolarHBondContact NH1-SD 3.49Å; R809-M813 VanDerWaalsContact NH1-SD 3.42Å; R809-M813 WeakPolarHBondContact O-CG 3.28Å; R809-M813 PolarHBondContact O-N 3.1Å; R809-M813 VanDerWaalsContact O-N 3.09Å; R809-Y867 HydrophobicContact CB-CD1 3.91Å; R809-Y867 HydrophobicContact CB-CE1 3.58Å; R809-Y867 HydrophobicContact CG-CD1 3.72Å; R809-Y867 HydrophobicContact CG-CE1 3.94Å; R809-Y867 HydrophobicContact CG-CG 4.26Å; R809-D871 IonicContact CZ-OD2 3.95Å; R809-D871 IonicContact NE-OD1 3.72Å; R809-D871 IonicContact NE-OD2 3.86Å; R809-D871 PolarHBondContact NE-OD2 3.07Å; R809-D871 IonicContact NH2-OD2 2.86Å; R809-D871 PolarHBondContact NH2-OD2 3.01Å
810	A	88.2	Confident	81.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-32.9	179.6	0	0	0	0	0	112.6	V594 Y764 L806 I807 D808 M813 K814	V594-A810 HydrophobicContact CG1-CB 3.47Å; V594-A810 VanDerWaalsContact CG1-CB 3.47Å; V594-A810 HydrophobicContact CG2-CB 4.41Å; Y764-A810 HydrophobicContact CD1-CB 3.4Å; Y764-A810 VanDerWaalsContact CD1-CB 3.4Å; Y764-A810 HydrophobicContact CD2-CB 4.14Å; Y764-A810 HydrophobicContact CE1-CB 3.95Å; Y764-A810 HydrophobicContact CG-CB 3.53Å; L806-A810 VanDerWaalsContact O-CB 3.29Å; L806-A810 WeakPolarHBondContact O-CB 3.4Å; L806-A810 PolarHBondContact O-N 2.99Å; I807-A810 PolarHBondContact O-N 2.83Å; D808-A810 PolarHBondContact O-N 2.72Å; A810-M813 WeakPolarHBondContact O-CB 3.45Å; A810-M813 PolarHBondContact O-N 3.29Å; A810-K814 WeakPolarHBondContact O-CB 3.37Å; A810-K814 PolarHBondContact O-N 3.37Å
811	V	89.8	Confident	81.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-43.7	173.1	164.3	0	0	0	0	111.9	K587 L590 V591 V594 I807 D808 R809 K814 F815 F860	K587-V811 HydrophobicContact CG-CG1 4.43Å; L590-V811 HydrophobicContact CB-CG1 3.81Å; L590-V811 HydrophobicContact CB-CG2 4.35Å; L590-V811 HydrophobicContact CD1-CG1 4.06Å; V591-V811 HydrophobicContact CB-CG2 4.28Å; V591-V811 HydrophobicContact CG2-CG2 3.63Å; V594-V811 HydrophobicContact CB-CG2 4.46Å; V594-V811 HydrophobicContact CG2-CG2 4.1Å; I807-V811 HydrophobicContact CG2-CG2 4.45Å; I807-V811 VanDerWaalsContact O-CG2 3.31Å; I807-V811 WeakPolarHBondContact O-CG2 2.97Å; I807-V811 PolarHBondContact O-N 2.93Å; D808-V811 WeakPolarHBondContact O-CB 3.04Å; D808-V811 PolarHBondContact O-N 3.02Å; R809-V811 VanDerWaalsContact C-N 3.28Å; R809-V811 PolarHBondContact O-N 2.81Å; V811-K814 WeakPolarHBondContact O-CB 3.38Å; V811-K814 PolarHBondContact O-N 2.96Å; V811-F815 PolarHBondContact O-N 3.02Å; V811-F860 HydrophobicContact CG1-CE1 4.36Å
812	Y	88.3	Confident	81	Confident	5 Å²	5	26.6 Å²	26.6	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-72.9	-30	177.6	-59.8	-69.5	0	0	0	112.8	K587 D808 R809 F815 E816 F860 N863 Y867	K587-Y812 PolarHBondContact NZ-OH 3.16Å; D808-Y812 VanDerWaalsContact CG-CE2 3.5Å; D808-Y812 WeakPolarHBondContact O-CD2 3.36Å; D808-Y812 VanDerWaalsContact O-CE2 3.31Å; D808-Y812 WeakPolarHBondContact O-CE2 3.5Å; D808-Y812 PolarHBondContact O-N 3.49Å; D808-Y812 WeakPolarHBondContact OD1-CE2 3.48Å; D808-Y812 PolarHBondContact OD1-OH 3.25Å; D808-Y812 WeakPolarHBondContact OD2-CE2 3.4Å; R809-Y812 PolarHBondContact O-N 3.13Å; Y812-F815 WeakPolarHBondContact O-CB 3.11Å; Y812-F815 PolarHBondContact O-N 3.3Å; Y812-E816 PolarHBondContact O-N 2.86Å; Y812-F860 AromaticContact CD1-CD1 3.85Å; Y812-F860 HydrophobicContact CD1-CD1 3.85Å; Y812-F860 AromaticContact CE1-CD1 3.64Å; Y812-F860 HydrophobicContact CE1-CD1 3.64Å; Y812-F860 HydrophobicContact CE1-CE1 4.2Å; Y812-N863 HydrophobicContact CD1-CB 3.83Å; Y812-N863 HydrophobicContact CD2-CB 4.26Å; Y812-N863 HydrophobicContact CE1-CB 3.33Å; Y812-N863 HydrophobicContact CE2-CB 3.8Å; Y812-N863 HydrophobicContact CG-CB 4.29Å; Y812-N863 PolarHBondContact OH-ND2 3.12Å; Y812-Y867 AromaticContact CD2-CD2 3.5Å; Y812-Y867 HydrophobicContact CD2-CD2 3.5Å; Y812-Y867 AromaticContact CD2-CE2 3.25Å; Y812-Y867 HydrophobicContact CD2-CE2 3.25Å; Y812-Y867 HydrophobicContact CE2-CD2 4.17Å; Y812-Y867 AromaticContact CE2-CE2 3.51Å; Y812-Y867 HydrophobicContact CE2-CE2 3.51Å; Y812-Y867 HydrophobicContact CG-CD2 4.18Å; Y812-Y867 HydrophobicContact CG-CE2 4.31Å
813	M	84.4	Confident	80.4	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-44.5	167.6	-68.9	177.2	144.1	0	0	110.7	L677 R763 Y764 R809 A810 F815 E816 E817	L677-M813 HydrophobicContact CB-CE 3.79Å; L677-M813 HydrophobicContact CB-CG 4.49Å; L677-M813 HydrophobicContact CD1-CG 4.48Å; R763-M813 HydrophobicContact CG-CE 4.11Å; R763-M813 HydrophobicContact CG-SD 3.62Å; R763-M813 VanDerWaalsContact NH2-C 3.3Å; R763-M813 PolarHBondContact NH2-O 3.44Å; R763-M813 WeakPolarHBondContact O-CE 3.32Å; Y764-M813 HydrophobicContact CD1-SD 4.19Å; Y764-M813 HydrophobicContact CE1-CB 4.22Å; R809-M813 VanDerWaalsContact NH1-CE 3.32Å; R809-M813 PolarHBondContact NH1-SD 3.49Å; R809-M813 VanDerWaalsContact NH1-SD 3.42Å; R809-M813 WeakPolarHBondContact O-CG 3.28Å; R809-M813 PolarHBondContact O-N 3.1Å; R809-M813 VanDerWaalsContact O-N 3.09Å; A810-M813 WeakPolarHBondContact O-CB 3.45Å; A810-M813 PolarHBondContact O-N 3.29Å; M813-F815 VanDerWaalsContact C-N 3.3Å; M813-F815 PolarHBondContact O-N 3.33Å; M813-E816 VanDerWaalsContact O-CB 3.3Å; M813-E816 WeakPolarHBondContact O-CB 3.41Å; M813-E816 PolarHBondContact O-N 2.86Å; M813-E816 VanDerWaalsContact O-N 3.11Å; M813-E817 PolarHBondContact O-N 2.82Å
814	K	87.5	Confident	79.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-40	176.4	-166.8	74.6	-152.5	174.3	0	112.1	L590 L593 V594 E597 Y764 A810 V811 E817 Y818	L590-K814 HydrophobicContact CD2-CB 4.43Å; L590-K814 HydrophobicContact CD2-CG 3.99Å; L593-K814 HydrophobicContact CD2-CD 3.43Å; L593-K814 VanDerWaalsContact CD2-CD 3.43Å; L593-K814 HydrophobicContact CD2-CG 3.72Å; V594-K814 HydrophobicContact CG2-CB 3.84Å; V594-K814 HydrophobicContact CG2-CG 4.25Å; E597-K814 WeakPolarHBondContact OE1-CE 3.37Å; E597-K814 IonicContact OE1-NZ 2.88Å; E597-K814 PolarHBondContact OE1-NZ 3.5Å; E597-K814 IonicContact OE2-NZ 3.7Å; Y764-K814 WeakPolarHBondContact OH-CD 3.36Å; A810-K814 WeakPolarHBondContact O-CB 3.37Å; A810-K814 PolarHBondContact O-N 3.37Å; V811-K814 WeakPolarHBondContact O-CB 3.38Å; V811-K814 PolarHBondContact O-N 2.96Å; K814-E817 WeakPolarHBondContact CE-OE2 3.46Å; K814-E817 IonicContact NZ-OE1 2.74Å; K814-E817 PolarHBondContact NZ-OE1 3.23Å; K814-E817 IonicContact NZ-OE2 2.66Å; K814-E817 PolarHBondContact NZ-OE2 3.17Å; K814-E817 WeakPolarHBondContact O-CB 3.45Å; K814-E817 PolarHBondContact O-N 3.49Å; K814-Y818 HydrophobicContact CD-CE1 4.42Å; K814-Y818 WeakPolarHBondContact CE-OH 3.35Å; K814-Y818 PolarHBondContact O-N 3.18Å
815	F	87.1	Confident	78.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-45.7	171.1	174.4	-95.6	0	0	0	111.8	L590 V811 Y812 M813 E817 Y818 Y819 I847 Y857 F860 M861	L590-F815 HydrophobicContact CD1-CB 4.39Å; V811-F815 PolarHBondContact O-N 3.02Å; Y812-F815 WeakPolarHBondContact O-CB 3.11Å; Y812-F815 PolarHBondContact O-N 3.3Å; M813-F815 VanDerWaalsContact C-N 3.3Å; M813-F815 PolarHBondContact O-N 3.33Å; F815-E817 VanDerWaalsContact C-N 3.33Å; F815-E817 PolarHBondContact O-N 3.49Å; F815-Y818 PolarHBondContact O-N 3.32Å; F815-Y819 HydrophobicContact CZ-CD2 4.3Å; F815-Y819 HydrophobicContact CZ-CG 4.32Å; F815-Y819 VanDerWaalsContact O-CB 3.26Å; F815-Y819 WeakPolarHBondContact O-CB 3.39Å; F815-Y819 PolarHBondContact O-N 3.22Å; F815-I847 HydrophobicContact CD2-CD1 4.14Å; F815-I847 HydrophobicContact CD2-CG1 4.47Å; F815-I847 HydrophobicContact CD2-CG2 3.97Å; F815-I847 HydrophobicContact CE2-CG2 3.88Å; F815-Y857 HydrophobicContact CZ-CD2 4.2Å; F815-F860 HydrophobicContact CB-CD1 4.4Å; F815-F860 HydrophobicContact CD1-CB 4.03Å; F815-F860 HydrophobicContact CD2-CB 3.91Å; F815-F860 HydrophobicContact CD2-CD1 4.04Å; F815-F860 HydrophobicContact CD2-CD2 4.41Å; F815-F860 AromaticContact CD2-CG 3.88Å; F815-F860 HydrophobicContact CD2-CG 3.88Å; F815-F860 HydrophobicContact CE1-CB 3.81Å; F815-F860 HydrophobicContact CE2-CB 3.69Å; F815-F860 HydrophobicContact CE2-CD2 4.29Å; F815-F860 AromaticContact CE2-CG 3.96Å; F815-F860 HydrophobicContact CE2-CG 3.96Å; F815-F860 HydrophobicContact CG-CB 4.07Å; F815-F860 HydrophobicContact CG-CD1 4.16Å; F815-F860 HydrophobicContact CG-CG 4.27Å; F815-F860 HydrophobicContact CZ-CB 3.65Å; F815-F860 HydrophobicContact CZ-CG 4.42Å; F815-M861 HydrophobicContact CE1-CG 4.32Å; F815-M861 HydrophobicContact CE1-SD 3.84Å
816	E	81.5	Confident	76.5	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-44.4	175.3	-174.7	-163.5	134.2	0	0	112	S676 S678 Y812 M813 F820 W864	S676-E816 WeakPolarHBondContact CB-OE1 3.33Å; S676-E816 PolarHBondContact OG-OE1 3.02Å; S678-E816 PolarHBondContact OG-OE1 2.81Å; Y812-E816 PolarHBondContact O-N 2.86Å; M813-E816 VanDerWaalsContact O-CB 3.3Å; M813-E816 WeakPolarHBondContact O-CB 3.41Å; M813-E816 PolarHBondContact O-N 2.86Å; M813-E816 VanDerWaalsContact O-N 3.11Å; E816-F820 HydrophobicContact CB-CD2 4.21Å; E816-F820 HydrophobicContact CG-CD2 3.65Å; E816-F820 HydrophobicContact CG-CE2 4.25Å; E816-F820 WeakPolarHBondContact O-CB 3.45Å; E816-F820 WeakPolarHBondContact O-CD2 3.48Å; E816-F820 PolarHBondContact O-N 3.41Å; E816-W864 HydrophobicContact CG-CZ2 4.13Å; E816-W864 PolarHBondContact OE2-NE1 3.16Å
817	E	79.2	Confident	74.3	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-46.8	176.2	-178.8	-168.3	152.7	0	0	111.3	R763 M813 K814 F815 W821	R763-E817 IonicContact CZ-OE2 3.83Å; R763-E817 IonicContact NH1-OE2 2.84Å; R763-E817 PolarHBondContact NH1-OE2 2.76Å; M813-E817 PolarHBondContact O-N 2.82Å; K814-E817 WeakPolarHBondContact CE-OE2 3.46Å; K814-E817 IonicContact NZ-OE1 2.74Å; K814-E817 PolarHBondContact NZ-OE1 3.23Å; K814-E817 IonicContact NZ-OE2 2.66Å; K814-E817 PolarHBondContact NZ-OE2 3.17Å; K814-E817 WeakPolarHBondContact O-CB 3.45Å; K814-E817 PolarHBondContact O-N 3.49Å; F815-E817 VanDerWaalsContact C-N 3.33Å; F815-E817 PolarHBondContact O-N 3.49Å; E817-W821 HydrophobicContact CB-CD2 4.36Å; E817-W821 HydrophobicContact CG-CD2 4.06Å; E817-W821 HydrophobicContact CG-CE3 3.8Å; E817-W821 HydrophobicContact CG-CG 4.37Å; E817-W821 HydrophobicContact CG-CZ3 4.49Å; E817-W821 WeakPolarHBondContact O-CB 3.24Å; E817-W821 PolarHBondContact O-N 3.12Å
818	Y	83.3	Confident	71.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-71.2	-35.5	-176	-79.9	9	0	0	0	112.6	L590 L593 K814 F815 V843 R844 I847 K848	L590-Y818 HydrophobicContact CD2-CD2 4.43Å; L593-Y818 HydrophobicContact CD1-CE2 4.3Å; L593-Y818 VanDerWaalsContact CD1-OH 3.24Å; L593-Y818 WeakPolarHBondContact CD1-OH 3.35Å; K814-Y818 HydrophobicContact CD-CE1 4.42Å; K814-Y818 WeakPolarHBondContact CE-OH 3.35Å; K814-Y818 PolarHBondContact O-N 3.18Å; F815-Y818 PolarHBondContact O-N 3.32Å; Y818-V843 HydrophobicContact CD2-CG1 4.1Å; Y818-V843 HydrophobicContact CE2-CB 4.21Å; Y818-V843 HydrophobicContact CE2-CG1 3.99Å; Y818-R844 HydrophobicContact CD1-CB 4.31Å; Y818-R844 HydrophobicContact CD1-CG 4.05Å; Y818-R844 HydrophobicContact CD2-CB 3.79Å; Y818-R844 HydrophobicContact CD2-CG 4.22Å; Y818-R844 HydrophobicContact CE1-CB 4.44Å; Y818-R844 HydrophobicContact CE2-CB 4Å; Y818-R844 HydrophobicContact CG-CB 3.97Å; Y818-R844 HydrophobicContact CG-CG 3.87Å; Y818-I847 HydrophobicContact CD2-CD1 4.09Å; Y818-K848 WeakPolarHBondContact O-CE 3.33Å; Y818-K848 WeakPolarHBondContact O-CG 3.49Å
819	Y	79.9	Confident	69.7	Low	55 Å²	55	46.8 Å²	46.8	22%	0.216	23%	0.233	C	C	.	.	H	α-helix	trans	-81.1	-54.2	-179	-165.1	-94.3	0	0	0	112.7	F815 I847 Y857	F815-Y819 HydrophobicContact CZ-CD2 4.3Å; F815-Y819 HydrophobicContact CZ-CG 4.32Å; F815-Y819 VanDerWaalsContact O-CB 3.26Å; F815-Y819 WeakPolarHBondContact O-CB 3.39Å; F815-Y819 PolarHBondContact O-N 3.22Å; Y819-I847 HydrophobicContact CD2-CG2 3.91Å; Y819-I847 WeakPolarHBondContact CD2-O 3.45Å; Y819-I847 HydrophobicContact CG-CG2 4.4Å; Y819-Y857 HydrophobicContact CD1-CE2 4.32Å; Y819-Y857 HydrophobicContact CD2-CD2 4.48Å; Y819-Y857 HydrophobicContact CD2-CE2 4.41Å; Y819-Y857 AromaticContact CE1-CE2 3.64Å; Y819-Y857 HydrophobicContact CE1-CE2 3.64Å; Y819-Y857 AromaticContact CE2-CD2 3.85Å; Y819-Y857 HydrophobicContact CE2-CD2 3.85Å; Y819-Y857 AromaticContact CE2-CE2 3.75Å; Y819-Y857 HydrophobicContact CE2-CE2 3.75Å; Y819-Y857 AromaticContact CZ-CD2 3.88Å; Y819-Y857 AromaticContact CZ-CE2 3.31Å; Y819-Y857 WeakPolarHBondContact OH-CE2 3.35Å
820	F	71.5	Confident	67.6	Low	60 Å²	60	54.4 Å²	54.4	26%	0.263	27%	0.266	S	S	.	.	H	α-helix	trans	-89.8	-27.5	-170.9	-62.3	-71.9	0	0	0	113.9	E816 P822 M861 W864	E816-F820 HydrophobicContact CB-CD2 4.21Å; E816-F820 HydrophobicContact CG-CD2 3.65Å; E816-F820 HydrophobicContact CG-CE2 4.25Å; E816-F820 WeakPolarHBondContact O-CB 3.45Å; E816-F820 WeakPolarHBondContact O-CD2 3.48Å; E816-F820 PolarHBondContact O-N 3.41Å; F820-P822 WeakPolarHBondContact O-CD 3.31Å; F820-M861 HydrophobicContact CE2-SD 4.2Å; F820-M861 HydrophobicContact CZ-CE 3.97Å; F820-M861 HydrophobicContact CZ-SD 3.86Å; F820-W864 HydrophobicContact CE2-CH2 4.49Å; F820-W864 HydrophobicContact CE2-CZ2 4.39Å
821	W	70.9	Confident	65.6	Low	4 Å²	4	58.4 Å²	58.4	2%	0.015	30%	0.3	C	S	.	.	S	Bend	trans	-84.6	131.1	-172.7	-64.3	16	0	0	0	110.5	I658 Y662 F679 F759 E817 H835 R844 K848	I658-W821 HydrophobicContact CG2-CH2 4.31Å; I658-W821 HydrophobicContact CG2-CZ3 4.32Å; Y662-W821 HydrophobicContact CE2-CD2 4.08Å; Y662-W821 HydrophobicContact CE2-CE3 4.24Å; Y662-W821 HydrophobicContact CE2-CG 4.37Å; Y662-W821 AromaticContact CZ-CD2 3.99Å; Y662-W821 VanDerWaalsContact OH-CB 3.29Å; Y662-W821 WeakPolarHBondContact OH-CB 3.32Å; Y662-W821 VanDerWaalsContact OH-CD2 3.27Å; F679-W821 HydrophobicContact CD2-CZ2 4.3Å; F679-W821 HydrophobicContact CE1-CH2 4.23Å; F679-W821 HydrophobicContact CE1-CZ2 4.29Å; F679-W821 HydrophobicContact CE2-CH2 4.16Å; F679-W821 AromaticContact CE2-CZ2 3.42Å; F679-W821 HydrophobicContact CE2-CZ2 3.42Å; F679-W821 VanDerWaalsContact CE2-CZ2 3.42Å; F679-W821 AromaticContact CZ-CH2 3.68Å; F679-W821 HydrophobicContact CZ-CH2 3.68Å; F679-W821 AromaticContact CZ-CZ2 3.41Å; F679-W821 HydrophobicContact CZ-CZ2 3.41Å; F679-W821 VanDerWaalsContact CZ-CZ2 3.41Å; F759-W821 HydrophobicContact CE1-CH2 4.47Å; F759-W821 AromaticContact CZ-CH2 3.78Å; F759-W821 HydrophobicContact CZ-CH2 3.78Å; F759-W821 HydrophobicContact CZ-CZ3 4.24Å; E817-W821 HydrophobicContact CB-CD2 4.36Å; E817-W821 HydrophobicContact CG-CD2 4.06Å; E817-W821 HydrophobicContact CG-CE3 3.8Å; E817-W821 HydrophobicContact CG-CG 4.37Å; E817-W821 HydrophobicContact CG-CZ3 4.49Å; E817-W821 WeakPolarHBondContact O-CB 3.24Å; E817-W821 PolarHBondContact O-N 3.12Å; W821-H835 HydrophobicContact CE3-CB 4.09Å; W821-H835 AromaticContact CE3-CD2 3.65Å; W821-H835 AromaticContact CE3-CG 3.88Å; W821-H835 HydrophobicContact CZ3-CB 4.01Å; W821-H835 AromaticContact CZ3-CD2 3.72Å; W821-R844 PolarHBondContact O-NH2 3.02Å; W821-K848 PolarHBondContact O-NZ 3.12Å; W821-K848 VanDerWaalsContact O-NZ 3.15Å
822	P	62.6	Low	63.6	Low	39 Å²	39	61.8 Å²	61.8	25%	0.253	32%	0.317	S	S	.	.			trans	-62.9	155.2	169.6	12.1	-18.5	0	0	0	111.6	Y662 F820 L824 R844	Y662-P822 HydrophobicContact CD1-CG 3.6Å; Y662-P822 HydrophobicContact CE1-CG 3.43Å; Y662-P822 VanDerWaalsContact CE1-CG 3.43Å; F820-P822 WeakPolarHBondContact O-CD 3.31Å; P822-L824 PolarHBondContact O-N 3.36Å; P822-R844 PolarHBondContact O-NH2 2.81Å
823	I	61.3	Low	61.7	Low	48 Å²	48	62 Å²	62	25%	0.246	32%	0.318	C	S	.	.			trans	-79.3	107.4	165.7	-59	167.6	0	0	0	104	R825 F839	I823-R825 VanDerWaalsContact C-N 3.27Å; I823-R825 HydrophobicContact CB-CG 4.38Å; I823-R825 HydrophobicContact CG2-CG 3.81Å; I823-R825 PolarHBondContact O-N 2.86Å; I823-F839 HydrophobicContact CD1-CZ 4.34Å; I823-F839 HydrophobicContact CG1-CZ 4.21Å
824	L	55.6	Low	60.3	Low	21 Å²	21	65.1 Å²	65.1	11%	0.11	33%	0.333	C	S	.	.			trans	-68.9	92.2	174.1	-64.5	178.2	0	0	0	108.1	T661 Y662 D665 P822 M833 H835	T661-L824 HydrophobicContact CG2-CD1 3.89Å; T661-L824 HydrophobicContact CG2-CD2 3.67Å; T661-L824 HydrophobicContact CG2-CG 4.43Å; Y662-L824 HydrophobicContact CD1-CD2 4.49Å; Y662-L824 HydrophobicContact CE1-CD1 4.25Å; Y662-L824 HydrophobicContact CE1-CD2 4.17Å; Y662-L824 HydrophobicContact CE1-CG 4.26Å; D665-L824 WeakPolarHBondContact OD2-CD2 3.42Å; P822-L824 PolarHBondContact O-N 3.36Å; L824-M833 HydrophobicContact CD1-CB 3.68Å; L824-M833 HydrophobicContact CD1-CE 3.34Å; L824-M833 HydrophobicContact CD1-CG 4.46Å; L824-H835 WeakPolarHBondContact CD1-NE2 3.46Å
825	R	50.8	Low	59.1	Low	198 Å²	198	65.5 Å²	65.5	75%	0.747	34%	0.335	S	S	*	.			trans	-85.2	151.2	174.6	-68.7	-174.9	177.5	178.6	-0.5	108.8	I823 V827	I823-R825 VanDerWaalsContact C-N 3.27Å; I823-R825 HydrophobicContact CB-CG 4.38Å; I823-R825 HydrophobicContact CG2-CG 3.81Å; I823-R825 PolarHBondContact O-N 2.86Å; R825-V827 PolarHBondContact O-N 3.26Å
826	H	44.2	Very low	57.9	Low	129 Å²	129	66 Å²	66	60%	0.597	34%	0.338	S	S	*	.			trans	-52.7	113.5	175	-87.1	-70.6	0	0	0	111	I832	H826-I832 VanDerWaalsContact CE1-CG1 3.41Å; H826-I832 WeakPolarHBondContact CE1-CG1 3.32Å; H826-I832 WeakPolarHBondContact NE2-CD1 3.39Å; H826-I832 WeakPolarHBondContact NE2-CG1 3.45Å
827	V	35.3	Very low	56.9	Low	117 Å²	117	68.3 Å²	68.3	71%	0.709	35%	0.35	S	S	*	.			trans	-112	109.1	158.4	-174	0	0	0	0	106.4	R825	R825-V827 PolarHBondContact O-N 3.26Å
828	N	36.8	Very low	56.1	Low	142 Å²	142	73.1 Å²	73.1	76%	0.759	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.3	90	169.2	-64.7	-14.5	0	0	0	116.3	K830	N828-K830 PolarHBondContact O-N 2.93Å
829	T	39.6	Very low	55.2	Low	135 Å²	135	76.8 Å²	76.8	83%	0.828	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-0.2	158.4	70.5	0	0	0	0	120.7
830	K	42.3	Very low	55	Low	180 Å²	180	77 Å²	77	78%	0.783	39%	0.39	S	S	*	.	S	Bend	trans	-135.6	113.2	175.6	-71.2	-177.3	-178	168	0	115.4	N828	N828-K830 PolarHBondContact O-N 2.93Å
831	A	45.2	Very low	55.1	Low	86 Å²	86	78.4 Å²	78.4	71%	0.711	40%	0.4	S	S	*	.			trans	43.4	107.7	159.4	0	0	0	0	0	120.1	M833	A831-M833 PolarHBondContact O-N 2.99Å
832	I	47.5	Very low	55.6	Low	71 Å²	71	84 Å²	84	36%	0.364	43%	0.43	S	S	.	.			trans	-55.4	121	158.8	-49.8	171.3	0	0	0	108.6	H826 E834	H826-I832 VanDerWaalsContact CE1-CG1 3.41Å; H826-I832 WeakPolarHBondContact CE1-CG1 3.32Å; H826-I832 WeakPolarHBondContact NE2-CD1 3.39Å; H826-I832 WeakPolarHBondContact NE2-CG1 3.45Å; I832-E834 HydrophobicContact CG2-CG 3.82Å
833	M	50.3	Low	56.7	Low	8 Å²	8	82.1 Å²	82.1	4%	0.039	42%	0.418	C	S	.	.			trans	-93.3	100.9	163.3	-73.9	-157.6	-65.5	0	0	110	W654 T657 I658 T661 L824 A831 H835	W654-M833 HydrophobicContact CE3-SD 4.24Å; W654-M833 HydrophobicContact CH2-CB 3.74Å; W654-M833 HydrophobicContact CH2-CG 3.59Å; W654-M833 HydrophobicContact CH2-SD 4.14Å; W654-M833 HydrophobicContact CZ2-CB 4.2Å; W654-M833 HydrophobicContact CZ2-CG 4.39Å; W654-M833 HydrophobicContact CZ3-CB 4.34Å; W654-M833 HydrophobicContact CZ3-CG 3.68Å; W654-M833 HydrophobicContact CZ3-SD 3.87Å; T657-M833 HydrophobicContact CG2-CE 4.24Å; T657-M833 HydrophobicContact CG2-SD 3.44Å; T657-M833 WeakPolarHBondContact CG2-SD 3.3Å; T657-M833 WeakPolarHBondContact O-CE 3.23Å; I658-M833 VanDerWaalsContact CA-CE 3.46Å; I658-M833 HydrophobicContact CB-CE 4.28Å; I658-M833 HydrophobicContact CB-SD 4.31Å; I658-M833 HydrophobicContact CG1-CE 3.97Å; I658-M833 HydrophobicContact CG1-SD 3.53Å; I658-M833 VanDerWaalsContact CG1-SD 3.53Å; T661-M833 HydrophobicContact CG2-CE 3.82Å; T661-M833 WeakPolarHBondContact OG1-CE 3.41Å; L824-M833 HydrophobicContact CD1-CB 3.68Å; L824-M833 HydrophobicContact CD1-CE 3.34Å; L824-M833 HydrophobicContact CD1-CG 4.46Å; A831-M833 PolarHBondContact O-N 2.99Å; M833-H835 PolarHBondContact O-CE1 2.9Å; M833-H835 PolarHBondContact O-N 3.15Å; M833-H835 PolarHBondContact O-ND1 2.85Å; M833-H835 PolarHBondContact O-NE2 3.34Å
834	E	54	Low	57.7	Low	69 Å²	69	79.9 Å²	79.9	32%	0.322	41%	0.407	S	S	.	.			trans	-86.6	104.3	174.2	-82.9	164.3	-145.9	0	0	109.6	W654 K752 Q756 I832 S836	W654-E834 WeakPolarHBondContact CZ2-O 3.41Å; K752-E834 WeakPolarHBondContact CE-OE2 3.43Å; K752-E834 IonicContact NZ-OE1 2.68Å; K752-E834 PolarHBondContact NZ-OE1 3.07Å; K752-E834 IonicContact NZ-OE2 3.6Å; K752-E834 PolarHBondContact NZ-OE2 3.24Å; Q756-E834 PolarHBondContact NE2-O 3.07Å; Q756-E834 PolarHBondContact NE2-OE2 2.97Å; I832-E834 HydrophobicContact CG2-CG 3.82Å; E834-S836 PolarHBondContact O-N 3.19Å
835	H	62	Low	59	Low	8 Å²	8	81.9 Å²	81.9	4%	0.037	42%	0.418	C	S	.	.			trans	-72.8	-15.9	-179.1	-36	89.2	0	0	0	113.7	Y662 W821 L824 M833	Y662-H835 PolarHBondContact OH-NE2 2.91Å; W821-H835 HydrophobicContact CE3-CB 4.09Å; W821-H835 AromaticContact CE3-CD2 3.65Å; W821-H835 AromaticContact CE3-CG 3.88Å; W821-H835 HydrophobicContact CZ3-CB 4.01Å; W821-H835 AromaticContact CZ3-CD2 3.72Å; L824-H835 WeakPolarHBondContact CD1-NE2 3.46Å; M833-H835 PolarHBondContact O-CE1 2.9Å; M833-H835 PolarHBondContact O-N 3.15Å; M833-H835 PolarHBondContact O-ND1 2.85Å; M833-H835 PolarHBondContact O-NE2 3.34Å
836	S	63.4	Low	60.6	Low	9 Å²	9	74.7 Å²	74.7	6%	0.063	39%	0.393	C	S	.	.			trans	-135.3	150.6	-178.8	174	0	0	0	0	111.4	E597 E834 F838	E597-S836 VanDerWaalsContact OE1-CB 3.28Å; E597-S836 WeakPolarHBondContact OE1-CB 3.24Å; E597-S836 PolarHBondContact OE1-OG 3.34Å; E834-S836 PolarHBondContact O-N 3.19Å; S836-F838 VanDerWaalsContact C-N 3.27Å; S836-F838 PolarHBondContact OG-N 2.92Å; S836-F838 PolarHBondContact OG-O 3.47Å
837	I	59.2	Low	62.6	Low	53 Å²	53	68.6 Å²	68.6	27%	0.272	36%	0.364	S	S	.	.	S	Bend	trans	-69.1	-28.5	168.4	-61.2	170.5	0	0	0	110.7	M600 S601 Q756 A757 I760	M600-I837 HydrophobicContact CB-CD1 4.43Å; M600-I837 HydrophobicContact CB-CG2 4.24Å; S601-I837 VanDerWaalsContact OG-CD1 3.23Å; S601-I837 WeakPolarHBondContact OG-CD1 3.49Å; Q756-I837 HydrophobicContact CB-CG1 3.97Å; A757-I837 HydrophobicContact CB-CD1 4.38Å; I760-I837 HydrophobicContact CD1-CB 4.32Å; I760-I837 HydrophobicContact CD1-CD1 3.78Å; I760-I837 HydrophobicContact CD1-CG1 3.69Å
838	F	63.4	Low	64.9	Low	103 Å²	103	66.7 Å²	66.7	45%	0.452	35%	0.347	S	S	.	.	S	Bend	trans	-132	117.8	-177	-170.6	-96.1	0	0	0	111.4	L593 S836 E840	L593-F838 HydrophobicContact CD1-CD1 4.36Å; S836-F838 VanDerWaalsContact C-N 3.27Å; S836-F838 PolarHBondContact OG-N 2.92Å; S836-F838 PolarHBondContact OG-O 3.47Å; F838-E840 HydrophobicContact CD1-CB 4.49Å; F838-E840 HydrophobicContact CE1-CB 4.15Å
839	F	64	Low	67.1	Low	77 Å²	77	67.4 Å²	67.4	34%	0.338	35%	0.345	S	S	.	.			trans	-100.1	113.7	-179.3	-157.3	-74.4	0	0	0	110.7	I823 N841 R844	I823-F839 HydrophobicContact CD1-CZ 4.34Å; I823-F839 HydrophobicContact CG1-CZ 4.21Å; F839-N841 HydrophobicContact CD1-CB 4.3Å; F839-N841 VanDerWaalsContact CD1-OD1 3.27Å; F839-N841 WeakPolarHBondContact CD1-OD1 3.1Å; F839-N841 HydrophobicContact CE1-CB 4.25Å; F839-N841 WeakPolarHBondContact CE1-OD1 3.47Å; F839-R844 VanDerWaalsContact CZ-CD 3.45Å
840	E	74.4	Confident	69.1	Low	61 Å²	61	61.7 Å²	61.7	29%	0.285	31%	0.309	S	S	.	.			trans	-102.1	92.2	172.1	-164.6	166.6	-166.7	0	0	109.6	L593 F838 D842 V843 R844	L593-E840 HydrophobicContact CD1-CB 3.54Å; L593-E840 VanDerWaalsContact CD1-OE2 3.3Å; L593-E840 WeakPolarHBondContact CD1-OE2 3.36Å; F838-E840 HydrophobicContact CD1-CB 4.49Å; F838-E840 HydrophobicContact CE1-CB 4.15Å; E840-D842 VanDerWaalsContact C-N 3.25Å; E840-D842 PolarHBondContact O-N 3.32Å; E840-V843 HydrophobicContact CB-CB 4.46Å; E840-V843 VanDerWaalsContact CD-CG2 3.42Å; E840-V843 HydrophobicContact CG-CB 4.15Å; E840-V843 HydrophobicContact CG-CG2 3.79Å; E840-R844 WeakPolarHBondContact O-CB 3.46Å; E840-R844 PolarHBondContact O-N 3.46Å; E840-R844 VanDerWaalsContact O-N 3.11Å
841	N	75.1	Confident	70.6	Confident	88 Å²	88	56.7 Å²	56.7	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-56.7	-40.1	-177.5	-82.4	-55.1	0	0	0	111.8	F839 R844 N845	F839-N841 HydrophobicContact CD1-CB 4.3Å; F839-N841 VanDerWaalsContact CD1-OD1 3.27Å; F839-N841 WeakPolarHBondContact CD1-OD1 3.1Å; F839-N841 HydrophobicContact CE1-CB 4.25Å; F839-N841 WeakPolarHBondContact CE1-OD1 3.47Å; N841-R844 PolarHBondContact O-N 2.98Å; N841-N845 VanDerWaalsContact O-CB 3.3Å; N841-N845 WeakPolarHBondContact O-CB 3.44Å; N841-N845 PolarHBondContact O-N 2.89Å; N841-N845 PolarHBondContact O-ND2 3.2Å
842	D	80.7	Confident	72	Confident	121 Å²	121	56.2 Å²	56.2	65%	0.647	29%	0.287	S	S	*	.	H	α-helix	trans	-65.9	-48.5	-174.3	-62.2	-20.3	0	0	0	111.9	E840 R844 N845 E846	E840-D842 VanDerWaalsContact C-N 3.25Å; E840-D842 PolarHBondContact O-N 3.32Å; D842-R844 VanDerWaalsContact C-N 3.32Å; D842-R844 PolarHBondContact O-N 3.44Å; D842-N845 PolarHBondContact O-N 3.41Å; D842-E846 WeakPolarHBondContact O-CB 3.43Å; D842-E846 PolarHBondContact O-N 2.97Å
843	V	84.8	Confident	73.2	Confident	1 Å²	1	58 Å²	58	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-39.3	176.6	178.2	0	0	0	0	110.8	L586 K589 L590 Y818 E840 E846 I847	L586-V843 HydrophobicContact CD1-CG1 4.12Å; K589-V843 HydrophobicContact CB-CG2 4.18Å; K589-V843 HydrophobicContact CD-CG2 3.8Å; L590-V843 HydrophobicContact CD2-CG1 3.93Å; L590-V843 HydrophobicContact CG-CG1 4.45Å; Y818-V843 HydrophobicContact CD2-CG1 4.1Å; Y818-V843 HydrophobicContact CE2-CB 4.21Å; Y818-V843 HydrophobicContact CE2-CG1 3.99Å; E840-V843 HydrophobicContact CB-CB 4.46Å; E840-V843 VanDerWaalsContact CD-CG2 3.42Å; E840-V843 HydrophobicContact CG-CB 4.15Å; E840-V843 HydrophobicContact CG-CG2 3.79Å; V843-E846 PolarHBondContact O-N 2.85Å; V843-I847 HydrophobicContact CG1-CD1 4.02Å; V843-I847 WeakPolarHBondContact O-CB 3.36Å; V843-I847 WeakPolarHBondContact O-CG1 3.49Å; V843-I847 PolarHBondContact O-N 3.13Å
844	R	82.8	Confident	74.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-42.9	176.4	-171.4	172.4	-170.5	176.5	-3.8	111.8	Y818 W821 P822 F839 E840 N841 D842 I847 K848	Y818-R844 HydrophobicContact CD1-CB 4.31Å; Y818-R844 HydrophobicContact CD1-CG 4.05Å; Y818-R844 HydrophobicContact CD2-CB 3.79Å; Y818-R844 HydrophobicContact CD2-CG 4.22Å; Y818-R844 HydrophobicContact CE1-CB 4.44Å; Y818-R844 HydrophobicContact CE2-CB 4Å; Y818-R844 HydrophobicContact CG-CB 3.97Å; Y818-R844 HydrophobicContact CG-CG 3.87Å; W821-R844 PolarHBondContact O-NH2 3.02Å; P822-R844 PolarHBondContact O-NH2 2.81Å; F839-R844 VanDerWaalsContact CZ-CD 3.45Å; E840-R844 WeakPolarHBondContact O-CB 3.46Å; E840-R844 PolarHBondContact O-N 3.46Å; E840-R844 VanDerWaalsContact O-N 3.11Å; N841-R844 PolarHBondContact O-N 2.98Å; D842-R844 VanDerWaalsContact C-N 3.32Å; D842-R844 PolarHBondContact O-N 3.44Å; R844-I847 PolarHBondContact O-N 3.09Å; R844-K848 HydrophobicContact CG-CD 4.46Å; R844-K848 HydrophobicContact CG-CG 4.43Å; R844-K848 WeakPolarHBondContact O-CB 3.41Å; R844-K848 WeakPolarHBondContact O-CG 3.1Å; R844-K848 PolarHBondContact O-N 2.92Å
845	N	83	Confident	75.6	Confident	64 Å²	64	57.6 Å²	57.6	34%	0.342	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-43	178.1	-69.8	-22.4	0	0	0	111.1	N841 D842 I847 K848 Q849	N841-N845 VanDerWaalsContact O-CB 3.3Å; N841-N845 WeakPolarHBondContact O-CB 3.44Å; N841-N845 PolarHBondContact O-N 2.89Å; N841-N845 PolarHBondContact O-ND2 3.2Å; D842-N845 PolarHBondContact O-N 3.41Å; N845-I847 VanDerWaalsContact C-N 3.31Å; N845-I847 PolarHBondContact O-N 3.3Å; N845-K848 PolarHBondContact O-N 2.81Å; N845-Q849 WeakPolarHBondContact O-CB 3.31Å; N845-Q849 VanDerWaalsContact O-CG 3.29Å; N845-Q849 WeakPolarHBondContact O-CG 3.39Å; N845-Q849 PolarHBondContact O-N 2.79Å
846	E	85.5	Confident	76.6	Confident	47 Å²	47	57.5 Å²	57.5	22%	0.22	30%	0.299	C	S	.	.	H	α-helix	trans	-56.6	-43.7	174.3	-172.5	178	170.7	0	0	111.2	H582 L586 K589 D842 V843 M850	H582-E846 IonicContact CE1-OE1 2.73Å; H582-E846 PolarHBondContact CE1-OE1 3.44Å; H582-E846 IonicContact ND1-OE1 3.24Å; H582-E846 IonicContact NE2-OE1 3.94Å; L586-E846 HydrophobicContact CD1-CG 4.45Å; K589-E846 IonicContact NZ-OE2 3.02Å; K589-E846 PolarHBondContact NZ-OE2 3.47Å; D842-E846 WeakPolarHBondContact O-CB 3.43Å; D842-E846 PolarHBondContact O-N 2.97Å; V843-E846 PolarHBondContact O-N 2.85Å; E846-M850 PolarHBondContact O-N 3.41Å
847	I	86.2	Confident	77.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72.4	-42.3	177.2	-71.6	173.2	0	0	0	112.2	L586 L590 F815 Y818 Y819 V843 R844 N845 Q849 M850	L586-I847 HydrophobicContact CD1-CD1 4.31Å; L586-I847 HydrophobicContact CD1-CG1 4.16Å; L586-I847 HydrophobicContact CD2-CG1 4.12Å; L590-I847 HydrophobicContact CD1-CD1 3.99Å; L590-I847 HydrophobicContact CD2-CD1 3.83Å; L590-I847 HydrophobicContact CG-CD1 4.27Å; F815-I847 HydrophobicContact CD2-CD1 4.14Å; F815-I847 HydrophobicContact CD2-CG1 4.47Å; F815-I847 HydrophobicContact CD2-CG2 3.97Å; F815-I847 HydrophobicContact CE2-CG2 3.88Å; Y818-I847 HydrophobicContact CD2-CD1 4.09Å; Y819-I847 HydrophobicContact CD2-CG2 3.91Å; Y819-I847 WeakPolarHBondContact CD2-O 3.45Å; Y819-I847 HydrophobicContact CG-CG2 4.4Å; V843-I847 HydrophobicContact CG1-CD1 4.02Å; V843-I847 WeakPolarHBondContact O-CB 3.36Å; V843-I847 WeakPolarHBondContact O-CG1 3.49Å; V843-I847 PolarHBondContact O-N 3.13Å; R844-I847 PolarHBondContact O-N 3.09Å; N845-I847 VanDerWaalsContact C-N 3.31Å; N845-I847 PolarHBondContact O-N 3.3Å; I847-Q849 VanDerWaalsContact C-N 3.33Å; I847-Q849 PolarHBondContact O-N 3.32Å; I847-M850 WeakPolarHBondContact O-CB 2.78Å; I847-M850 PolarHBondContact O-N 2.76Å
848	K	81.7	Confident	78.8	Confident	78 Å²	78	64.2 Å²	64.2	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-33.7	179.5	-80.1	-163.8	171.2	-161.3	0	113.4	Y818 W821 R844 N845 M850	Y818-K848 WeakPolarHBondContact O-CE 3.33Å; Y818-K848 WeakPolarHBondContact O-CG 3.49Å; W821-K848 PolarHBondContact O-NZ 3.12Å; W821-K848 VanDerWaalsContact O-NZ 3.15Å; R844-K848 HydrophobicContact CG-CD 4.46Å; R844-K848 HydrophobicContact CG-CG 4.43Å; R844-K848 WeakPolarHBondContact O-CB 3.41Å; R844-K848 WeakPolarHBondContact O-CG 3.1Å; R844-K848 PolarHBondContact O-N 2.92Å; N845-K848 PolarHBondContact O-N 2.81Å; K848-M850 VanDerWaalsContact C-N 3.26Å
849	Q	82.9	Confident	79.9	Confident	157 Å²	157	62.2 Å²	62.2	73%	0.734	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.7	177.7	-66.2	175.7	1.9	0	0	112.6	N845 I847 P851	N845-Q849 WeakPolarHBondContact O-CB 3.31Å; N845-Q849 VanDerWaalsContact O-CG 3.29Å; N845-Q849 WeakPolarHBondContact O-CG 3.39Å; N845-Q849 PolarHBondContact O-N 2.79Å; I847-Q849 VanDerWaalsContact C-N 3.33Å; I847-Q849 PolarHBondContact O-N 3.32Å; Q849-P851 WeakPolarHBondContact O-CD 3.29Å
850	M	82.1	Confident	81.1	Confident	14 Å²	14	59 Å²	59	7%	0.069	30%	0.299	C	S	.	.			trans	-69.4	119.9	-179	-172.1	177	-69.2	0	0	110.7	L586 E846 I847 K848 S854 C856 Y857	L586-M850 HydrophobicContact CD2-CE 3.33Å; E846-M850 PolarHBondContact O-N 3.41Å; I847-M850 WeakPolarHBondContact O-CB 2.78Å; I847-M850 PolarHBondContact O-N 2.76Å; K848-M850 VanDerWaalsContact C-N 3.26Å; M850-S854 WeakPolarHBondContact CG-OG 3.27Å; M850-C856 HydrophobicContact CE-CB 3.73Å; M850-C856 HydrophobicContact SD-CB 3.78Å; M850-Y857 PolarHBondContact SD-N 3.23Å
851	P	74.6	Confident	81.6	Confident	75 Å²	75	57.1 Å²	57.1	49%	0.487	29%	0.29	S	S	.	.			trans	-73.9	147.5	-179.6	30.1	-32.6	0	0	0	110.6	Q849 N853 S854	Q849-P851 WeakPolarHBondContact O-CD 3.29Å; P851-N853 WeakPolarHBondContact CB-OD1 3.49Å; P851-N853 PolarHBondContact O-N 3.2Å; P851-S854 VanDerWaalsContact O-CB 3.24Å; P851-S854 WeakPolarHBondContact O-CB 3.42Å; P851-S854 PolarHBondContact O-N 3.36Å; P851-S854 PolarHBondContact O-OG 2.79Å
852	S	75.2	Confident	82	Confident	76 Å²	76	61.9 Å²	61.9	53%	0.531	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	-177.3	58.1	0	0	0	0	113.6	Y857	S852-Y857 VanDerWaalsContact CA-CD1 3.49Å; S852-Y857 WeakPolarHBondContact O-CD1 3.33Å
853	N	72.7	Confident	82.2	Confident	110 Å²	110	58.9 Å²	58.9	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.7	174.5	66.7	0.1	0	0	0	113.6	P851	P851-N853 WeakPolarHBondContact CB-OD1 3.49Å; P851-N853 PolarHBondContact O-N 3.2Å
854	S	76.6	Confident	82.2	Confident	26 Å²	26	59.8 Å²	59.8	18%	0.182	29%	0.289	C	S	.	.	S	Bend	trans	-67.7	149.1	179.6	69.7	0	0	0	0	112.1	M850 P851 C856 Y857 R858	M850-S854 WeakPolarHBondContact CG-OG 3.27Å; P851-S854 VanDerWaalsContact O-CB 3.24Å; P851-S854 WeakPolarHBondContact O-CB 3.42Å; P851-S854 PolarHBondContact O-N 3.36Å; P851-S854 PolarHBondContact O-OG 2.79Å; S854-C856 VanDerWaalsContact C-N 3.31Å; S854-C856 PolarHBondContact O-N 3.49Å; S854-Y857 PolarHBondContact O-N 3.41Å; S854-Y857 WeakPolarHBondContact OG-CB 3.4Å; S854-Y857 PolarHBondContact OG-N 3.17Å; S854-Y857 VanDerWaalsContact OG-N 3.16Å; S854-R858 WeakPolarHBondContact O-CG 3.42Å; S854-R858 PolarHBondContact O-N 3.33Å
855	M	76.4	Confident	82	Confident	42 Å²	42	64.5 Å²	64.5	21%	0.207	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-43.9	175.9	-174.4	-179.5	-168.6	0	0	111.7	H576 K579 L580 R858 L859	H576-M855 WeakPolarHBondContact CE1-CE 3.4Å; H576-M855 WeakPolarHBondContact NE2-CE 3.33Å; K579-M855 HydrophobicContact CB-SD 3.92Å; L580-M855 HydrophobicContact CD1-CE 4.21Å; L580-M855 HydrophobicContact CD2-CE 3.2Å; L580-M855 HydrophobicContact CD2-SD 4.07Å; L580-M855 HydrophobicContact CG-CE 3.49Å; L580-M855 VanDerWaalsContact CG-CE 3.49Å; L580-M855 HydrophobicContact CG-SD 3.98Å; M855-R858 PolarHBondContact O-N 2.69Å; M855-L859 HydrophobicContact CE-CD1 4.24Å; M855-L859 HydrophobicContact CG-CD1 4.08Å; M855-L859 WeakPolarHBondContact O-CG 3.47Å; M855-L859 PolarHBondContact O-N 2.94Å
856	C	83.1	Confident	81.9	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-44.9	-179	-53.7	0	0	0	0	111.3	C583 M850 S854 R858 L859 F860	C583-C856 WeakPolarHBondContact CA-SG 3.17Å; C583-C856 HydrophobicContact CB-CB 3.94Å; C583-C856 WeakPolarHBondContact CB-SG 3.35Å; C583-C856 WeakPolarHBondContact SG-CA 3.19Å; C583-C856 WeakPolarHBondContact SG-CB 3.45Å; C583-C856 PolarHBondContact SG-N 3.34Å; C583-C856 VanDerWaalsContact SG-N 3.45Å; C583-C856 CovalentContact SG-SG 2.04Å; C583-C856 PolarHBondContact SG-SG 2.75Å; M850-C856 HydrophobicContact CE-CB 3.73Å; M850-C856 HydrophobicContact SD-CB 3.78Å; S854-C856 VanDerWaalsContact C-N 3.31Å; S854-C856 PolarHBondContact O-N 3.49Å; C856-R858 VanDerWaalsContact C-N 3.34Å; C856-R858 PolarHBondContact O-N 3.49Å; C856-L859 PolarHBondContact O-N 3.35Å; C856-L859 VanDerWaalsContact O-N 3.17Å; C856-F860 HydrophobicContact CB-CD2 4.28Å; C856-F860 HydrophobicContact CB-CE2 4.36Å; C856-F860 WeakPolarHBondContact O-CD2 3.41Å; C856-F860 PolarHBondContact O-N 3.02Å
857	Y	86	Confident	81.5	Confident	41 Å²	41	65.4 Å²	65.4	16%	0.161	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-48.5	177.6	176.7	-94.6	0	0	0	111.4	F815 Y819 M850 S852 S854 L859 F860 M861	F815-Y857 HydrophobicContact CZ-CD2 4.2Å; Y819-Y857 HydrophobicContact CD1-CE2 4.32Å; Y819-Y857 HydrophobicContact CD2-CD2 4.48Å; Y819-Y857 HydrophobicContact CD2-CE2 4.41Å; Y819-Y857 AromaticContact CE1-CE2 3.64Å; Y819-Y857 HydrophobicContact CE1-CE2 3.64Å; Y819-Y857 AromaticContact CE2-CD2 3.85Å; Y819-Y857 HydrophobicContact CE2-CD2 3.85Å; Y819-Y857 AromaticContact CE2-CE2 3.75Å; Y819-Y857 HydrophobicContact CE2-CE2 3.75Å; Y819-Y857 AromaticContact CZ-CD2 3.88Å; Y819-Y857 AromaticContact CZ-CE2 3.31Å; Y819-Y857 WeakPolarHBondContact OH-CE2 3.35Å; M850-Y857 PolarHBondContact SD-N 3.23Å; S852-Y857 VanDerWaalsContact CA-CD1 3.49Å; S852-Y857 WeakPolarHBondContact O-CD1 3.33Å; S854-Y857 PolarHBondContact O-N 3.41Å; S854-Y857 WeakPolarHBondContact OG-CB 3.4Å; S854-Y857 PolarHBondContact OG-N 3.17Å; S854-Y857 VanDerWaalsContact OG-N 3.16Å; Y857-L859 VanDerWaalsContact C-N 3.31Å; Y857-L859 PolarHBondContact O-N 2.94Å; Y857-F860 PolarHBondContact O-N 3.38Å; Y857-M861 HydrophobicContact CD1-CG 3.95Å; Y857-M861 HydrophobicContact CD2-CG 3.91Å; Y857-M861 HydrophobicContact CE1-CB 4.43Å; Y857-M861 HydrophobicContact CE1-CG 3.59Å; Y857-M861 HydrophobicContact CE2-CG 3.48Å; Y857-M861 VanDerWaalsContact CE2-CG 3.48Å; Y857-M861 HydrophobicContact CE2-SD 3.98Å; Y857-M861 HydrophobicContact CG-CG 4.13Å; Y857-M861 VanDerWaalsContact O-CB 3.24Å; Y857-M861 WeakPolarHBondContact O-CB 3.45Å; Y857-M861 VanDerWaalsContact O-CG 3.31Å; Y857-M861 WeakPolarHBondContact O-CG 3.23Å; Y857-M861 PolarHBondContact O-N 3.15Å
858	R	84.5	Confident	80.8	Confident	162 Å²	162	68.1 Å²	68.1	61%	0.611	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-41.1	178.7	-68.1	-178.8	-174.9	-177.2	1.6	112	S854 M855 C856 R862	S854-R858 WeakPolarHBondContact O-CG 3.42Å; S854-R858 PolarHBondContact O-N 3.33Å; M855-R858 PolarHBondContact O-N 2.69Å; C856-R858 VanDerWaalsContact C-N 3.34Å; C856-R858 PolarHBondContact O-N 3.49Å; R858-R862 VanDerWaalsContact O-CB 3.26Å; R858-R862 WeakPolarHBondContact O-CB 3.1Å; R858-R862 PolarHBondContact O-N 2.88Å
859	L	85.7	Confident	80.3	Confident	61 Å²	61	69.4 Å²	69.4	32%	0.319	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-51.3	176.2	-72.4	170.7	0	0	0	112.1	L580 C583 M855 C856 Y857 R862 N863	L580-L859 HydrophobicContact CD2-CD1 4.34Å; C583-L859 HydrophobicContact CB-CD1 4.3Å; M855-L859 HydrophobicContact CE-CD1 4.24Å; M855-L859 HydrophobicContact CG-CD1 4.08Å; M855-L859 WeakPolarHBondContact O-CG 3.47Å; M855-L859 PolarHBondContact O-N 2.94Å; C856-L859 PolarHBondContact O-N 3.35Å; C856-L859 VanDerWaalsContact O-N 3.17Å; Y857-L859 VanDerWaalsContact C-N 3.31Å; Y857-L859 PolarHBondContact O-N 2.94Å; L859-R862 PolarHBondContact O-N 3.16Å; L859-N863 PolarHBondContact O-N 3.24Å
860	F	88.6	Confident	79.7	Confident	9 Å²	9	66.7 Å²	66.7	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-43.1	179.8	-81	-75.9	0	0	0	112.1	L586 K587 L590 V811 Y812 F815 C856 Y857 N863 W864	L586-F860 HydrophobicContact CD2-CE2 3.88Å; L586-F860 HydrophobicContact CD2-CZ 4.39Å; L586-F860 HydrophobicContact CG-CE2 4.26Å; L586-F860 HydrophobicContact CG-CZ 4.3Å; K587-F860 HydrophobicContact CB-CE1 4.41Å; K587-F860 HydrophobicContact CB-CZ 3.95Å; L590-F860 HydrophobicContact CD1-CE1 3.74Å; L590-F860 HydrophobicContact CD1-CZ 4.03Å; V811-F860 HydrophobicContact CG1-CE1 4.36Å; Y812-F860 AromaticContact CD1-CD1 3.85Å; Y812-F860 HydrophobicContact CD1-CD1 3.85Å; Y812-F860 AromaticContact CE1-CD1 3.64Å; Y812-F860 HydrophobicContact CE1-CD1 3.64Å; Y812-F860 HydrophobicContact CE1-CE1 4.2Å; F815-F860 HydrophobicContact CB-CD1 4.4Å; F815-F860 HydrophobicContact CD1-CB 4.03Å; F815-F860 HydrophobicContact CD2-CB 3.91Å; F815-F860 HydrophobicContact CD2-CD1 4.04Å; F815-F860 HydrophobicContact CD2-CD2 4.41Å; F815-F860 AromaticContact CD2-CG 3.88Å; F815-F860 HydrophobicContact CD2-CG 3.88Å; F815-F860 HydrophobicContact CE1-CB 3.81Å; F815-F860 HydrophobicContact CE2-CB 3.69Å; F815-F860 HydrophobicContact CE2-CD2 4.29Å; F815-F860 AromaticContact CE2-CG 3.96Å; F815-F860 HydrophobicContact CE2-CG 3.96Å; F815-F860 HydrophobicContact CG-CB 4.07Å; F815-F860 HydrophobicContact CG-CD1 4.16Å; F815-F860 HydrophobicContact CG-CG 4.27Å; F815-F860 HydrophobicContact CZ-CB 3.65Å; F815-F860 HydrophobicContact CZ-CG 4.42Å; C856-F860 HydrophobicContact CB-CD2 4.28Å; C856-F860 HydrophobicContact CB-CE2 4.36Å; C856-F860 WeakPolarHBondContact O-CD2 3.41Å; C856-F860 PolarHBondContact O-N 3.02Å; Y857-F860 PolarHBondContact O-N 3.38Å; F860-N863 PolarHBondContact O-N 3.06Å; F860-W864 VanDerWaalsContact O-CB 3.29Å; F860-W864 WeakPolarHBondContact O-CB 3.34Å; F860-W864 PolarHBondContact O-N 3.18Å
861	M	84.6	Confident	79	Confident	21 Å²	21	67.5 Å²	67.5	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-39.7	177.8	-76.9	-59.6	-63.3	0	0	112.9	F815 F820 Y857 N863 W864 K865	F815-M861 HydrophobicContact CE1-CG 4.32Å; F815-M861 HydrophobicContact CE1-SD 3.84Å; F820-M861 HydrophobicContact CE2-SD 4.2Å; F820-M861 HydrophobicContact CZ-CE 3.97Å; F820-M861 HydrophobicContact CZ-SD 3.86Å; Y857-M861 HydrophobicContact CD1-CG 3.95Å; Y857-M861 HydrophobicContact CD2-CG 3.91Å; Y857-M861 HydrophobicContact CE1-CB 4.43Å; Y857-M861 HydrophobicContact CE1-CG 3.59Å; Y857-M861 HydrophobicContact CE2-CG 3.48Å; Y857-M861 VanDerWaalsContact CE2-CG 3.48Å; Y857-M861 HydrophobicContact CE2-SD 3.98Å; Y857-M861 HydrophobicContact CG-CG 4.13Å; Y857-M861 VanDerWaalsContact O-CB 3.24Å; Y857-M861 WeakPolarHBondContact O-CB 3.45Å; Y857-M861 VanDerWaalsContact O-CG 3.31Å; Y857-M861 WeakPolarHBondContact O-CG 3.23Å; Y857-M861 PolarHBondContact O-N 3.15Å; M861-N863 VanDerWaalsContact C-N 3.32Å; M861-N863 PolarHBondContact O-N 3.09Å; M861-W864 HydrophobicContact CE-CE3 3.7Å; M861-W864 HydrophobicContact CE-CZ3 3.81Å; M861-W864 PolarHBondContact O-N 3.49Å; M861-W864 HydrophobicContact SD-CE3 4.23Å; M861-K865 WeakPolarHBondContact O-CB 3.45Å; M861-K865 WeakPolarHBondContact O-CG 3.19Å; M861-K865 PolarHBondContact O-N 3.5Å
862	R	85	Confident	78.3	Confident	188 Å²	188	64.9 Å²	64.9	71%	0.709	31%	0.306	S	S	*	.	H	α-helix	trans	-58	-47.8	175.7	179.6	-179.6	177.3	-177.5	-1.3	110.7	R858 L859 K865 F866	R858-R862 VanDerWaalsContact O-CB 3.26Å; R858-R862 WeakPolarHBondContact O-CB 3.1Å; R858-R862 PolarHBondContact O-N 2.88Å; L859-R862 PolarHBondContact O-N 3.16Å; R862-K865 PolarHBondContact O-N 2.99Å; R862-F866 PolarHBondContact O-N 3.03Å
863	N	85.1	Confident	77.4	Confident	59 Å²	59	64.6 Å²	64.6	32%	0.316	30%	0.304	S	S	.	.	H	α-helix	trans	-72.3	-37.8	-179.2	-65.8	-12.5	0	0	0	112	Y812 L859 F860 M861 K865 F866 Y867	Y812-N863 HydrophobicContact CD1-CB 3.83Å; Y812-N863 HydrophobicContact CD2-CB 4.26Å; Y812-N863 HydrophobicContact CE1-CB 3.33Å; Y812-N863 HydrophobicContact CE2-CB 3.8Å; Y812-N863 HydrophobicContact CG-CB 4.29Å; Y812-N863 PolarHBondContact OH-ND2 3.12Å; L859-N863 PolarHBondContact O-N 3.24Å; F860-N863 PolarHBondContact O-N 3.06Å; M861-N863 VanDerWaalsContact C-N 3.32Å; M861-N863 PolarHBondContact O-N 3.09Å; N863-K865 PolarHBondContact O-N 2.82Å; N863-F866 WeakPolarHBondContact O-CB 3.08Å; N863-F866 PolarHBondContact O-N 3.12Å; N863-Y867 WeakPolarHBondContact O-CD2 3.46Å; N863-Y867 PolarHBondContact O-N 3.31Å; N863-Y867 VanDerWaalsContact O-N 3.16Å
864	W	83.4	Confident	76.4	Confident	20 Å²	20	70.2 Å²	70.2	8%	0.076	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-43.5	173.4	175.4	80.7	0	0	0	112.2	E816 F820 F860 M861 F866 Y867 R868	E816-W864 HydrophobicContact CG-CZ2 4.13Å; E816-W864 PolarHBondContact OE2-NE1 3.16Å; F820-W864 HydrophobicContact CE2-CH2 4.49Å; F820-W864 HydrophobicContact CE2-CZ2 4.39Å; F860-W864 VanDerWaalsContact O-CB 3.29Å; F860-W864 WeakPolarHBondContact O-CB 3.34Å; F860-W864 PolarHBondContact O-N 3.18Å; M861-W864 HydrophobicContact CE-CE3 3.7Å; M861-W864 HydrophobicContact CE-CZ3 3.81Å; M861-W864 PolarHBondContact O-N 3.49Å; M861-W864 HydrophobicContact SD-CE3 4.23Å; W864-F866 VanDerWaalsContact C-N 3.33Å; W864-F866 PolarHBondContact O-N 2.92Å; W864-Y867 PolarHBondContact O-N 3.04Å; W864-R868 PolarHBondContact O-N 3.34Å
865	K	80.3	Confident	74.9	Confident	99 Å²	99	73 Å²	73	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-42	175	-77.1	-177.7	179.5	-172.4	0	112	M861 R862 N863 Y867 R868 E869	M861-K865 WeakPolarHBondContact O-CB 3.45Å; M861-K865 WeakPolarHBondContact O-CG 3.19Å; M861-K865 PolarHBondContact O-N 3.5Å; R862-K865 PolarHBondContact O-N 2.99Å; N863-K865 PolarHBondContact O-N 2.82Å; K865-Y867 PolarHBondContact O-N 3.49Å; K865-R868 WeakPolarHBondContact O-CB 3.23Å; K865-R868 PolarHBondContact O-N 2.94Å; K865-E869 WeakPolarHBondContact O-CG 3.37Å; K865-E869 PolarHBondContact O-N 3.46Å
866	F	80.9	Confident	73.7	Confident	111 Å²	111	71.6 Å²	71.6	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-45.1	175	171.1	-95.5	0	0	0	112.4	R862 N863 W864 E869 N870	R862-F866 PolarHBondContact O-N 3.03Å; N863-F866 WeakPolarHBondContact O-CB 3.08Å; N863-F866 PolarHBondContact O-N 3.12Å; W864-F866 VanDerWaalsContact C-N 3.33Å; W864-F866 PolarHBondContact O-N 2.92Å; F866-E869 PolarHBondContact O-N 3.32Å; F866-N870 WeakPolarHBondContact CE1-ND2 3.37Å; F866-N870 WeakPolarHBondContact CE2-ND2 3.42Å; F866-N870 WeakPolarHBondContact CZ-ND2 3.4Å; F866-N870 PolarHBondContact O-N 2.99Å; F866-N870 PolarHBondContact O-ND2 3.01Å; F866-N870 VanDerWaalsContact O-ND2 3.1Å
867	Y	76.5	Confident	72.2	Confident	19 Å²	19	75.2 Å²	75.2	8%	0.075	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-37.4	175.6	-73.6	-71.7	0	0	0	112.5	D808 R809 Y812 N863 W864 K865 E869 N870 D871	D808-Y867 PolarHBondContact OD2-OH 3.12Å; R809-Y867 HydrophobicContact CB-CD1 3.91Å; R809-Y867 HydrophobicContact CB-CE1 3.58Å; R809-Y867 HydrophobicContact CG-CD1 3.72Å; R809-Y867 HydrophobicContact CG-CE1 3.94Å; R809-Y867 HydrophobicContact CG-CG 4.26Å; Y812-Y867 AromaticContact CD2-CD2 3.5Å; Y812-Y867 HydrophobicContact CD2-CD2 3.5Å; Y812-Y867 AromaticContact CD2-CE2 3.25Å; Y812-Y867 HydrophobicContact CD2-CE2 3.25Å; Y812-Y867 HydrophobicContact CE2-CD2 4.17Å; Y812-Y867 AromaticContact CE2-CE2 3.51Å; Y812-Y867 HydrophobicContact CE2-CE2 3.51Å; Y812-Y867 HydrophobicContact CG-CD2 4.18Å; Y812-Y867 HydrophobicContact CG-CE2 4.31Å; N863-Y867 WeakPolarHBondContact O-CD2 3.46Å; N863-Y867 PolarHBondContact O-N 3.31Å; N863-Y867 VanDerWaalsContact O-N 3.16Å; W864-Y867 PolarHBondContact O-N 3.04Å; K865-Y867 PolarHBondContact O-N 3.49Å; Y867-E869 VanDerWaalsContact C-N 3.33Å; Y867-E869 PolarHBondContact O-N 2.69Å; Y867-N870 PolarHBondContact O-N 3.42Å; Y867-D871 VanDerWaalsContact O-CB 3.31Å; Y867-D871 WeakPolarHBondContact O-CB 3.14Å; Y867-D871 PolarHBondContact O-N 3.21Å
868	R	71.4	Confident	70.1	Confident	56 Å²	56	85.2 Å²	85.2	21%	0.211	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-45.7	173.9	-170	-174.4	69	167.2	7.2	111.4	L677 W864 K865 N870 S872	L677-R868 HydrophobicContact CD1-CB 4.47Å; L677-R868 HydrophobicContact CG-CB 4.45Å; W864-R868 PolarHBondContact O-N 3.34Å; K865-R868 WeakPolarHBondContact O-CB 3.23Å; K865-R868 PolarHBondContact O-N 2.94Å; R868-N870 VanDerWaalsContact C-N 3.34Å; R868-N870 PolarHBondContact O-N 3.04Å; R868-S872 WeakPolarHBondContact O-CB 3.43Å; R868-S872 PolarHBondContact O-N 3.35Å; R868-S872 PolarHBondContact O-OG 3.22Å
869	E	71.8	Confident	69.4	Low	105 Å²	105	81.4 Å²	81.4	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-37.9	179.9	-74.6	166.4	-164.3	0	0	112.7	K865 F866 Y867 L877	K865-E869 WeakPolarHBondContact O-CG 3.37Å; K865-E869 PolarHBondContact O-N 3.46Å; F866-E869 PolarHBondContact O-N 3.32Å; Y867-E869 VanDerWaalsContact C-N 3.33Å; Y867-E869 PolarHBondContact O-N 2.69Å; E869-L877 VanDerWaalsContact CA-CD2 3.49Å; E869-L877 HydrophobicContact CB-CD2 4.12Å; E869-L877 HydrophobicContact CG-CD2 4.1Å; E869-L877 WeakPolarHBondContact O-CD2 3.47Å
870	N	69.9	Low	68.5	Low	100 Å²	100	82.4 Å²	82.4	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-78.4	-33.3	-179.5	-71.5	-35.7	0	0	0	113.7	F866 Y867 R868	F866-N870 WeakPolarHBondContact CE1-ND2 3.37Å; F866-N870 WeakPolarHBondContact CE2-ND2 3.42Å; F866-N870 WeakPolarHBondContact CZ-ND2 3.4Å; F866-N870 PolarHBondContact O-N 2.99Å; F866-N870 PolarHBondContact O-ND2 3.01Å; F866-N870 VanDerWaalsContact O-ND2 3.1Å; Y867-N870 PolarHBondContact O-N 3.42Å; R868-N870 VanDerWaalsContact C-N 3.34Å; R868-N870 PolarHBondContact O-N 3.04Å
871	D	66.2	Low	67.4	Low	31 Å²	31	86.5 Å²	86.5	17%	0.166	41%	0.405	C	S	.	.	H	α-helix	trans	-101.1	-21.4	-172.3	-72	-12.7	0	0	0	113.9	L677 K680 R809 Y867	L677-D871 HydrophobicContact CD2-CB 3.43Å; L677-D871 VanDerWaalsContact CD2-CB 3.43Å; K680-D871 VanDerWaalsContact CD-O 3.24Å; K680-D871 WeakPolarHBondContact CD-O 3.21Å; K680-D871 WeakPolarHBondContact CE-O 3.42Å; K680-D871 PolarHBondContact NZ-O 2.99Å; R809-D871 IonicContact CZ-OD2 3.95Å; R809-D871 IonicContact NE-OD1 3.72Å; R809-D871 IonicContact NE-OD2 3.86Å; R809-D871 PolarHBondContact NE-OD2 3.07Å; R809-D871 IonicContact NH2-OD2 2.86Å; R809-D871 PolarHBondContact NH2-OD2 3.01Å; Y867-D871 VanDerWaalsContact O-CB 3.31Å; Y867-D871 WeakPolarHBondContact O-CB 3.14Å; Y867-D871 PolarHBondContact O-N 3.21Å
872	S	60.8	Low	66.4	Low	21 Å²	21	90.4 Å²	90.4	15%	0.147	42%	0.422	C	S	.	.	S	Bend	trans	-80.5	154.6	-177.5	67.5	0	0	0	0	112	R868 L877	R868-S872 WeakPolarHBondContact O-CB 3.43Å; R868-S872 PolarHBondContact O-N 3.35Å; R868-S872 PolarHBondContact O-OG 3.22Å; S872-L877 WeakPolarHBondContact OG-CD2 3.44Å
873	S	55.2	Low	65.2	Low	69 Å²	69	84.3 Å²	84.3	48%	0.483	41%	0.405	S	S	.	.			trans	-62.5	153.6	171.2	47.9	0	0	0	0	109.7	S875 C876	S873-S875 PolarHBondContact O-N 3.48Å; S873-S875 PolarHBondContact OG-OG 3.17Å; S873-C876 VanDerWaalsContact O-CB 3.29Å; S873-C876 WeakPolarHBondContact O-CB 3.27Å; S873-C876 PolarHBondContact O-N 3.4Å
874	R	52.9	Low	63.9	Low	228 Å²	228	85.9 Å²	85.9	86%	0.86	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-53.3	-27.2	178.9	-73.2	-175.8	178.4	-178.4	-0.9	113.7	C876 L877	R874-C876 PolarHBondContact O-N 3.31Å; R874-L877 HydrophobicContact CG-CD1 4.34Å; R874-L877 PolarHBondContact O-N 3.23Å
875	S	45.8	Very low	62.5	Low	86 Å²	86	90.6 Å²	90.6	60%	0.601	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-62.3	-17.1	174.2	50.2	0	0	0	0	114.4	S873	S873-S875 PolarHBondContact O-N 3.48Å; S873-S875 PolarHBondContact OG-OG 3.17Å
876	C	50.9	Low	61.1	Low	11 Å²	11	90 Å²	90	7%	0.074	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-105	4.7	-176.7	-80	0	0	0	0	114.8	C675 S873 R874	C675-C876 WeakPolarHBondContact CA-SG 3.37Å; C675-C876 HydrophobicContact CB-CB 3.35Å; C675-C876 WeakPolarHBondContact CB-SG 3.41Å; C675-C876 WeakPolarHBondContact SG-CA 3.12Å; C675-C876 WeakPolarHBondContact SG-CB 3.14Å; C675-C876 CovalentContact SG-SG 2.03Å; C675-C876 PolarHBondContact SG-SG 3.27Å; S873-C876 VanDerWaalsContact O-CB 3.29Å; S873-C876 WeakPolarHBondContact O-CB 3.27Å; S873-C876 PolarHBondContact O-N 3.4Å; R874-C876 PolarHBondContact O-N 3.31Å
877	L	50.7	Low	59.5	Low	83 Å²	83	88.3 Å²	88.3	44%	0.435	43%	0.43	S	S	.	.			trans	-93.9	-8.6	179.7	-58.8	177.4	0	0	0	112.7	E869 S872 R874	E869-L877 VanDerWaalsContact CA-CD2 3.49Å; E869-L877 HydrophobicContact CB-CD2 4.12Å; E869-L877 HydrophobicContact CG-CD2 4.1Å; E869-L877 WeakPolarHBondContact O-CD2 3.47Å; S872-L877 WeakPolarHBondContact OG-CD2 3.44Å; R874-L877 HydrophobicContact CG-CD1 4.34Å; R874-L877 PolarHBondContact O-N 3.23Å
878	K	42	Very low	58	Low	250 Å²	250	94.5 Å²	94.5	100%	1.087	46%	0.463	S	S	*	.			trans	-101.4	0	173.3	-66.9	-174.7	177.8	-175.5	0	109

Retrieved 878 of 878 residues in 349.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).