A0A090N7W1_HUMAN Loading...

Voltage-gated inwardly rectifying potassium channel KCNH2

AlphaFold DB , UniProt , Accession A0A090N7W1, Species HUMAN (Homo sapiens, Human), Gene KCNH2, Length 888 aa.

						>A0A090N7W1_HUMAN|A0A090N7W1|KCNH2
MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSVRSGGAGGAGAPGAVVVDVDLTPAAPSSESLALDEVTAMDNHVAGLGPAEERRALVGPGSPPRSAPGQLPSPRAHSLNPDASGSSCSLARTRSRESCASVRRASSADDIEAMRAGVLPPPPRHASTGAMHPLRSGLLNSTSDSDLVRYRTISKIPQITLNFVDLKGDPFLASPTSDREIIAPKIKERTHNVTEKVTQVLSLGADVLPEYKLQAPRIHRWTILHYSPFKAVWDWLILLLVIYTAVFTPYSAAFLLKETEEGPPATECGYACQPLAVVDLIVDIMFIVDILINFRTTYVNANEEVVSHPGRIAVHYFKGWFLIDMVAAIPFDLLIFGSGSEELIGLLKTARLLRLVRVARKLDRYSEYGAAVLFLLMCTFALIAHWLACIWYAIGNMEQPHMDSRIGWLHNLGDQIGKPYNSSGLGGPSIKDKYVTALYFTFSSLTSVGFGNVSPNTNSEKIFSICVMLIGSLMYASIFGNVSAIIQRLYSGTARYHTQMLRVREFIRFHQIPNPLRQRLEEYFQHAWSYTNGIDMNAVLKGFPECLQADICLHLNRSLLQHCKPFRGATKGCLRALAMKFKTTHAPPGDTLVHAGDLLTALYFISRGSIEILRGDVVVAILGMGWGAGTGLEMPSAASRGASLLNMQSLGLWTWDCLQGHWAPLIHLNSGPPSGAMERSPTWGEAAELWGSHILLPFRIRHKQTLFASLK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	52.6	Low	187 Å²	187	102.2 Å²	102.2	92%	0.921	52%	0.518	S	S	*	.				0	104.2	0	-82.2	-177.9	169.4	0	0	105.6	V3 E544	M1-V3 PolarHBondContact O-N 3.44Å; M1-V3 VanDerWaalsContact O-N 3.1Å; M1-E544 WeakPolarHBondContact CA-OE2 3.38Å; M1-E544 VanDerWaalsContact N-CD 3.35Å; M1-E544 VanDerWaalsContact N-CG 3.31Å; M1-E544 PolarHBondContact N-OE2 3.43Å
2	P	41.1	Very low	53.6	Low	110 Å²	110	102.3 Å²	102.3	71%	0.714	52%	0.521	S	S	*	.			trans	-49.6	117.8	-157.8	18.3	-32.9	0	0	0	111.2	R4 E544	P2-R4 PolarHBondContact O-N 2.65Å; P2-E544 WeakPolarHBondContact CA-OE2 3.48Å
3	V	54.1	Low	54.5	Low	43 Å²	43	97.7 Å²	97.7	26%	0.261	50%	0.501	S	S	.	.			trans	-17.1	114.8	179.3	-179.9	0	0	0	0	111.5	M1 R5 R541 E544	M1-V3 PolarHBondContact O-N 3.44Å; M1-V3 VanDerWaalsContact O-N 3.1Å; V3-R5 WeakPolarHBondContact O-CG 3.31Å; V3-R5 PolarHBondContact O-N 3.05Å; V3-R541 HydrophobicContact CG2-CB 4.47Å; V3-R541 HydrophobicContact CG2-CG 3.97Å; V3-E544 WeakPolarHBondContact CG2-OE1 3.29Å; V3-E544 PolarHBondContact N-OE1 3.12Å
4	R	56.7	Low	55.7	Low	193 Å²	193	92.4 Å²	92.4	73%	0.728	47%	0.473	S	S	*	.			trans	-44.5	101.5	-176.9	-74.6	-165.3	-173.3	-160.7	4.7	110.3	P2 G6 E480	P2-R4 PolarHBondContact O-N 2.65Å; R4-G6 PolarHBondContact O-N 3.45Å; R4-E480 IonicContact CZ-OE1 2.67Å; R4-E480 IonicContact NH1-OE1 3.74Å; R4-E480 PolarHBondContact NH1-OE1 2.88Å
5	R	57	Low	57.1	Low	157 Å²	157	88.1 Å²	88.1	59%	0.592	45%	0.451	S	S	*	.			trans	-77.4	96.3	174.1	-65.2	-175.2	-176.5	170.3	-1	105.8	V3 H7 Y403	V3-R5 WeakPolarHBondContact O-CG 3.31Å; V3-R5 PolarHBondContact O-N 3.05Å; R5-H7 PolarHBondContact O-N 2.86Å; R5-Y403 HydrophobicContact CG-CD1 4.07Å; R5-Y403 HydrophobicContact CG-CG 4.05Å
6	G	55.3	Low	58.2	Low	10 Å²	10	86.6 Å²	86.6	10%	0.103	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-47.5	141.3	172.7	0	0	0	0	0	110.4	R4 E480 V482	R4-G6 PolarHBondContact O-N 3.45Å; G6-E480 CarbonylContact C-O 3.55Å; G6-E480 VanDerWaalsContact C-O 3.27Å; G6-E480 WeakPolarHBondContact CA-O 3.29Å; G6-V482 WeakPolarHBondContact O-CG2 3.33Å
7	H	55.5	Low	59.3	Low	149 Å²	149	86.9 Å²	86.9	69%	0.69	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-69	141.8	-178.8	-75.9	-82.9	0	0	0	109.8	R5 A9 E480	R5-H7 PolarHBondContact O-N 2.86Å; H7-A9 PolarHBondContact O-N 3Å; H7-E480 PolarHBondContact N-O 3.41Å
8	V	55.5	Low	60.5	Low	72 Å²	72	83.9 Å²	83.9	44%	0.436	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.9	167.8	179.8	0	0	0	0	107	P393	V8-P393 HydrophobicContact CG1-CB 4.05Å; V8-P393 HydrophobicContact CG1-CG 3.77Å; V8-P393 HydrophobicContact CG2-CG 3.95Å
9	A	54.1	Low	61.7	Low	39 Å²	39	80.7 Å²	80.7	32%	0.322	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-49.4	123.9	176.4	0	0	0	0	0	110.2	H7 T13	H7-A9 PolarHBondContact O-N 3Å; A9-T13 HydrophobicContact CB-CG2 4.12Å
10	P	57.5	Low	62.6	Low	92 Å²	92	84.5 Å²	84.5	60%	0.597	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-54.4	148.1	179.3	-28.6	35.1	0	0	0	112	N12 T13	P10-N12 PolarHBondContact O-N 2.95Å; P10-T13 HydrophobicContact CB-CG2 4.42Å; P10-T13 WeakPolarHBondContact O-CG2 3.46Å; P10-T13 PolarHBondContact O-N 3.14Å; P10-T13 PolarHBondContact O-OG1 3.39Å
11	Q	54.7	Low	63.5	Low	72 Å²	72	84.5 Å²	84.5	34%	0.336	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.5	-173.8	-60.7	-168.8	-49.2	0	0	114.5	F14 E387 K389	Q11-F14 WeakPolarHBondContact O-CD1 3.36Å; Q11-F14 VanDerWaalsContact O-CE1 3.28Å; Q11-F14 WeakPolarHBondContact O-CE1 3.47Å; Q11-E387 PolarHBondContact NE2-O 3Å; Q11-E387 PolarHBondContact OE1-O 3.2Å; Q11-K389 PolarHBondContact NE2-O 3.19Å
12	N	65.2	Low	65.6	Low	103 Å²	103	77 Å²	77	55%	0.551	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	1	176.6	-65.5	-6	0	0	0	114.1	P10 F14 L15	P10-N12 PolarHBondContact O-N 2.95Å; N12-F14 PolarHBondContact O-N 3.08Å; N12-F14 VanDerWaalsContact O-N 3.16Å; N12-L15 HydrophobicContact CB-CD1 4.32Å; N12-L15 VanDerWaalsContact O-CB 3.3Å; N12-L15 WeakPolarHBondContact O-CB 3.49Å; N12-L15 PolarHBondContact O-N 3.31Å
13	T	65.4	Low	67.4	Low	43 Å²	43	76 Å²	76	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-67.2	-12.8	-178.3	52	0	0	0	0	114.4	A9 P10 L15 D16 T17	A9-T13 HydrophobicContact CB-CG2 4.12Å; P10-T13 HydrophobicContact CB-CG2 4.42Å; P10-T13 WeakPolarHBondContact O-CG2 3.46Å; P10-T13 PolarHBondContact O-N 3.14Å; P10-T13 PolarHBondContact O-OG1 3.39Å; T13-L15 PolarHBondContact O-N 3.2Å; T13-D16 PolarHBondContact O-N 2.93Å; T13-T17 WeakPolarHBondContact O-CB 3.34Å; T13-T17 PolarHBondContact O-N 3.04Å; T13-T17 PolarHBondContact O-OG1 3.18Å
14	F	71	Confident	68.5	Low	24 Å²	24	77.3 Å²	77.3	11%	0.105	40%	0.396	C	S	.	.	H	α-helix	trans	-61.8	-32.8	166.5	72.6	-85.8	0	0	0	111.5	Q11 N12 T17 I18 V384 L385	Q11-F14 WeakPolarHBondContact O-CD1 3.36Å; Q11-F14 VanDerWaalsContact O-CE1 3.28Å; Q11-F14 WeakPolarHBondContact O-CE1 3.47Å; N12-F14 PolarHBondContact O-N 3.08Å; N12-F14 VanDerWaalsContact O-N 3.16Å; F14-T17 PolarHBondContact O-N 3.47Å; F14-I18 HydrophobicContact CD2-CD1 3.89Å; F14-I18 WeakPolarHBondContact O-CB 3.38Å; F14-I18 WeakPolarHBondContact O-CD1 3.49Å; F14-I18 WeakPolarHBondContact O-CG1 3.1Å; F14-I18 PolarHBondContact O-N 3.4Å; F14-V384 HydrophobicContact CB-CG1 4.17Å; F14-L385 HydrophobicContact CD1-CD2 3.55Å; F14-L385 HydrophobicContact CD2-CD2 3.98Å; F14-L385 HydrophobicContact CE1-CD2 3.51Å; F14-L385 HydrophobicContact CE2-CD2 3.94Å; F14-L385 HydrophobicContact CG-CD2 3.8Å; F14-L385 HydrophobicContact CG-CG 4.44Å; F14-L385 HydrophobicContact CZ-CD2 3.72Å
15	L	77.3	Confident	69.6	Low	28 Å²	28	72 Å²	72	15%	0.147	38%	0.379	C	S	.	.	H	α-helix	trans	-64.4	-49.2	175.6	-62.8	174.9	0	0	0	111	N12 T13 T17 I18 I19 I31 M124	N12-L15 HydrophobicContact CB-CD1 4.32Å; N12-L15 VanDerWaalsContact O-CB 3.3Å; N12-L15 WeakPolarHBondContact O-CB 3.49Å; N12-L15 PolarHBondContact O-N 3.31Å; T13-L15 PolarHBondContact O-N 3.2Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.44Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-I19 WeakPolarHBondContact O-CB 3.46Å; L15-I19 WeakPolarHBondContact O-CD1 3.37Å; L15-I19 WeakPolarHBondContact O-CG1 3.33Å; L15-I19 PolarHBondContact O-N 3.27Å; L15-I31 HydrophobicContact CD2-CD1 4.34Å; L15-I31 HydrophobicContact CD2-CG2 4.31Å; L15-M124 HydrophobicContact CD1-CE 4.35Å; L15-M124 HydrophobicContact CD2-CG 4.21Å
16	D	73.7	Confident	70.6	Confident	63 Å²	63	69.7 Å²	69.7	34%	0.337	39%	0.387	S	S	.	.	H	α-helix	trans	-60.3	-40.1	174.9	178.3	37.2	0	0	0	111.5	T13 I18 I19 R20	T13-D16 PolarHBondContact O-N 2.93Å; D16-I18 PolarHBondContact O-N 3.37Å; D16-I19 PolarHBondContact O-N 3.06Å; D16-R20 VanDerWaalsContact CG-NE 3.32Å; D16-R20 WeakPolarHBondContact O-CB 3.21Å; D16-R20 VanDerWaalsContact O-CG 3.29Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 2.9Å; D16-R20 IonicContact OD1-CZ 2.74Å; D16-R20 IonicContact OD1-NE 2.72Å; D16-R20 PolarHBondContact OD1-NE 2.87Å; D16-R20 IonicContact OD1-NH2 3.49Å; D16-R20 PolarHBondContact OD1-NH2 2.83Å; D16-R20 IonicContact OD2-CZ 3.81Å; D16-R20 VanDerWaalsContact OD2-CZ 3.32Å; D16-R20 IonicContact OD2-NE 3.64Å; D16-R20 PolarHBondContact OD2-NE 3.43Å; D16-R20 IonicContact OD2-NH2 3.41Å; D16-R20 PolarHBondContact OD2-NH2 3.02Å
17	T	78.1	Confident	72.1	Confident	92 Å²	92	73.6 Å²	73.6	56%	0.564	40%	0.399	S	S	*	.	H	α-helix	trans	-63.7	-41.3	175	-55.2	0	0	0	0	112.4	T13 F14 L15 K21	T13-T17 WeakPolarHBondContact O-CB 3.34Å; T13-T17 PolarHBondContact O-N 3.04Å; T13-T17 PolarHBondContact O-OG1 3.18Å; F14-T17 PolarHBondContact O-N 3.47Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.44Å; T17-K21 WeakPolarHBondContact O-CB 3.42Å; T17-K21 PolarHBondContact O-N 3.14Å; T17-K21 VanDerWaalsContact O-N 3.12Å
18	I	80.3	Confident	73.8	Confident	34 Å²	34	69.6 Å²	69.6	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-66.2	-47.7	175.2	-73.1	163.2	0	0	0	110.2	F14 L15 D16 K21 F22 I126	F14-I18 HydrophobicContact CD2-CD1 3.89Å; F14-I18 WeakPolarHBondContact O-CB 3.38Å; F14-I18 WeakPolarHBondContact O-CD1 3.49Å; F14-I18 WeakPolarHBondContact O-CG1 3.1Å; F14-I18 PolarHBondContact O-N 3.4Å; L15-I18 PolarHBondContact O-N 2.93Å; D16-I18 PolarHBondContact O-N 3.37Å; I18-K21 PolarHBondContact O-N 3.49Å; I18-F22 HydrophobicContact CG2-CD2 4.11Å; I18-F22 HydrophobicContact CG2-CE2 4.19Å; I18-F22 WeakPolarHBondContact O-CD2 3.34Å; I18-F22 PolarHBondContact O-N 3.04Å; I18-I126 HydrophobicContact CD1-CD1 4.36Å; I18-I126 HydrophobicContact CG2-CD1 3.81Å
19	I	83.8	Confident	75.6	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.118	36%	0.358	C	S	.	.	H	α-helix	trans	-55.9	-56	179.5	-73.6	163.4	0	0	0	109.9	L15 D16 K21 F22 E23 F29 I31 Y43	L15-I19 WeakPolarHBondContact O-CB 3.46Å; L15-I19 WeakPolarHBondContact O-CD1 3.37Å; L15-I19 WeakPolarHBondContact O-CG1 3.33Å; L15-I19 PolarHBondContact O-N 3.27Å; D16-I19 PolarHBondContact O-N 3.06Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.88Å; I19-F22 PolarHBondContact O-N 3.34Å; I19-E23 VanDerWaalsContact CG2-CD 3.44Å; I19-E23 HydrophobicContact CG2-CG 4.15Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.48Å; I19-E23 WeakPolarHBondContact O-CB 3.27Å; I19-E23 WeakPolarHBondContact O-CG 3.42Å; I19-E23 PolarHBondContact O-N 2.7Å; I19-F29 HydrophobicContact CB-CZ 4.5Å; I19-F29 HydrophobicContact CG1-CE2 4.24Å; I19-F29 HydrophobicContact CG1-CZ 4.22Å; I19-I31 HydrophobicContact CD1-CD1 4.22Å; I19-I31 HydrophobicContact CG1-CD1 3.95Å; I19-Y43 HydrophobicContact CD1-CD1 4.26Å; I19-Y43 HydrophobicContact CD1-CD2 3.76Å; I19-Y43 HydrophobicContact CD1-CE1 4.29Å; I19-Y43 HydrophobicContact CD1-CE2 3.76Å; I19-Y43 HydrophobicContact CD1-CG 4.02Å; I19-Y43 HydrophobicContact CG1-CD1 4.26Å; I19-Y43 HydrophobicContact CG1-CD2 4.49Å; I19-Y43 HydrophobicContact CG1-CE1 4Å; I19-Y43 HydrophobicContact CG1-CE2 4.21Å; I19-Y43 HydrophobicContact CG2-CE2 4.19Å; I19-Y43 WeakPolarHBondContact CG2-OH 3.36Å
20	R	79.2	Confident	77.5	Confident	155 Å²	155	64.3 Å²	64.3	59%	0.585	34%	0.343	S	S	*	.	H	α-helix	trans	-58.8	-36.4	177.8	-65.7	177.6	-161.8	-151.8	14.3	113.1	D16 G24	D16-R20 VanDerWaalsContact CG-NE 3.32Å; D16-R20 WeakPolarHBondContact O-CB 3.21Å; D16-R20 VanDerWaalsContact O-CG 3.29Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 2.9Å; D16-R20 IonicContact OD1-CZ 2.74Å; D16-R20 IonicContact OD1-NE 2.72Å; D16-R20 PolarHBondContact OD1-NE 2.87Å; D16-R20 IonicContact OD1-NH2 3.49Å; D16-R20 PolarHBondContact OD1-NH2 2.83Å; D16-R20 IonicContact OD2-CZ 3.81Å; D16-R20 VanDerWaalsContact OD2-CZ 3.32Å; D16-R20 IonicContact OD2-NE 3.64Å; D16-R20 PolarHBondContact OD2-NE 3.43Å; D16-R20 IonicContact OD2-NH2 3.41Å; D16-R20 PolarHBondContact OD2-NH2 3.02Å; R20-G24 PolarHBondContact O-N 3Å
21	K	80.9	Confident	79.1	Confident	85 Å²	85	60 Å²	60	37%	0.37	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-36.5	176.9	-176.5	-177.8	175.4	-171.6	0	112.1	T17 I18 I19 Q25	T17-K21 WeakPolarHBondContact O-CB 3.42Å; T17-K21 PolarHBondContact O-N 3.14Å; T17-K21 VanDerWaalsContact O-N 3.12Å; I18-K21 PolarHBondContact O-N 3.49Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.88Å; K21-Q25 WeakPolarHBondContact O-CG 3.1Å
22	F	80.9	Confident	80.8	Confident	29 Å²	29	56.6 Å²	56.6	13%	0.127	30%	0.299	C	S	.	.	H	α-helix	trans	-84.9	-35.7	-179.6	-83.1	-122.9	0	0	0	112.4	I18 I19 Q25 S26 R27 F29 I126	I18-F22 HydrophobicContact CG2-CD2 4.11Å; I18-F22 HydrophobicContact CG2-CE2 4.19Å; I18-F22 WeakPolarHBondContact O-CD2 3.34Å; I18-F22 PolarHBondContact O-N 3.04Å; I19-F22 PolarHBondContact O-N 3.34Å; F22-Q25 CarbonylContact O-C 3.57Å; F22-Q25 WeakPolarHBondContact O-CA 3.25Å; F22-Q25 PolarHBondContact O-N 2.92Å; F22-S26 PolarHBondContact O-N 2.92Å; F22-R27 HydrophobicContact CB-CB 4.25Å; F22-R27 HydrophobicContact CD1-CB 3.97Å; F22-R27 HydrophobicContact CD1-CG 4.4Å; F22-R27 PolarHBondContact O-N 3.48Å; F22-F29 HydrophobicContact CB-CD1 3.75Å; F22-F29 HydrophobicContact CB-CE1 3.36Å; F22-F29 HydrophobicContact CB-CE2 4.49Å; F22-F29 HydrophobicContact CB-CG 4.49Å; F22-F29 HydrophobicContact CB-CZ 3.79Å; F22-F29 HydrophobicContact CD1-CB 4.47Å; F22-F29 AromaticContact CD1-CD1 3.95Å; F22-F29 HydrophobicContact CD1-CD1 3.95Å; F22-F29 HydrophobicContact CD1-CE1 4.4Å; F22-F29 HydrophobicContact CD1-CG 4.06Å; F22-F29 HydrophobicContact CG-CD1 4.29Å; F22-F29 HydrophobicContact CG-CE1 4.28Å; F22-I126 HydrophobicContact CE1-CG2 4.09Å; F22-I126 HydrophobicContact CZ-CG2 4.43Å
23	E	80.5	Confident	82	Confident	89 Å²	89	53.4 Å²	53.4	42%	0.416	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-46	168.8	-74.1	172.8	173.3	0	0	110.8	I19 Q25 S26 Y43	I19-E23 VanDerWaalsContact CG2-CD 3.44Å; I19-E23 HydrophobicContact CG2-CG 4.15Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.48Å; I19-E23 WeakPolarHBondContact O-CB 3.27Å; I19-E23 WeakPolarHBondContact O-CG 3.42Å; I19-E23 PolarHBondContact O-N 2.7Å; E23-Q25 PolarHBondContact O-N 3.2Å; E23-S26 PolarHBondContact O-N 3.07Å; E23-Y43 PolarHBondContact OE1-OH 2.85Å; E23-Y43 VanDerWaalsContact OE1-OH 3.06Å
24	G	76.1	Confident	82.9	Confident	72 Å²	72	52.7 Å²	52.7	74%	0.742	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-6.2	172.6	0	0	0	0	0	115.2	R20	R20-G24 PolarHBondContact O-N 3Å
25	Q	79.6	Confident	83.4	Confident	80 Å²	80	58.3 Å²	58.3	37%	0.374	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	8.5	170.9	-68.4	-177.9	-1.4	0	0	112.5	K21 F22 E23 R27	K21-Q25 WeakPolarHBondContact O-CG 3.1Å; F22-Q25 CarbonylContact O-C 3.57Å; F22-Q25 WeakPolarHBondContact O-CA 3.25Å; F22-Q25 PolarHBondContact O-N 2.92Å; E23-Q25 PolarHBondContact O-N 3.2Å; Q25-R27 HydrophobicContact CB-CG 3.97Å; Q25-R27 PolarHBondContact O-N 3.1Å; Q25-R27 VanDerWaalsContact O-N 3.14Å; Q25-R27 VanDerWaalsContact OE1-NE 3.07Å
26	S	79.2	Confident	83.7	Confident	110 Å²	110	60.2 Å²	60.2	77%	0.769	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	28.5	-175.2	56.4	0	0	0	0	114.5	F22 E23	F22-S26 PolarHBondContact O-N 2.92Å; E23-S26 PolarHBondContact O-N 3.07Å
27	R	85.6	Confident	83.8	Confident	91 Å²	91	65.4 Å²	65.4	34%	0.343	34%	0.336	S	S	.	.			trans	-77.2	144.8	-176.1	-76.2	-176	174.4	-155.3	-5.1	112.4	F22 Q25 F29 N45	F22-R27 HydrophobicContact CB-CB 4.25Å; F22-R27 HydrophobicContact CD1-CB 3.97Å; F22-R27 HydrophobicContact CD1-CG 4.4Å; F22-R27 PolarHBondContact O-N 3.48Å; Q25-R27 HydrophobicContact CB-CG 3.97Å; Q25-R27 PolarHBondContact O-N 3.1Å; Q25-R27 VanDerWaalsContact O-N 3.14Å; Q25-R27 VanDerWaalsContact OE1-NE 3.07Å; R27-F29 HydrophobicContact CB-CD1 4.29Å; R27-F29 WeakPolarHBondContact O-CD1 3.42Å; R27-N45 PolarHBondContact O-ND2 3.21Å
28	K	92	Very high	83.9	Confident	65 Å²	65	67.3 Å²	67.3	28%	0.283	34%	0.343	S	S	.	.			trans	-101.6	104.4	179.4	-54.6	-177.5	169.4	-161.2	0	108	G47 L51 N128 F129	K28-G47 VanDerWaalsContact CD-O 3.22Å; K28-G47 WeakPolarHBondContact CD-O 3.28Å; K28-G47 WeakPolarHBondContact CE-O 3.41Å; K28-G47 VanDerWaalsContact CG-O 3.32Å; K28-G47 WeakPolarHBondContact CG-O 3.44Å; K28-L51 HydrophobicContact CD-CB 4.14Å; K28-L51 HydrophobicContact CD-CD2 4.05Å; K28-N128 PolarHBondContact O-OD1 2.88Å; K28-F129 HydrophobicContact CB-CB 4.49Å; K28-F129 PolarHBondContact O-N 3.06Å
29	F	92.8	Very high	84.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.7	-171	70.6	-79.5	0	0	0	113.1	I19 F22 R27 I31 Y43 N45 I126 L127 N128	I19-F29 HydrophobicContact CB-CZ 4.5Å; I19-F29 HydrophobicContact CG1-CE2 4.24Å; I19-F29 HydrophobicContact CG1-CZ 4.22Å; F22-F29 HydrophobicContact CB-CD1 3.75Å; F22-F29 HydrophobicContact CB-CE1 3.36Å; F22-F29 HydrophobicContact CB-CE2 4.49Å; F22-F29 HydrophobicContact CB-CG 4.49Å; F22-F29 HydrophobicContact CB-CZ 3.79Å; F22-F29 HydrophobicContact CD1-CB 4.47Å; F22-F29 AromaticContact CD1-CD1 3.95Å; F22-F29 HydrophobicContact CD1-CD1 3.95Å; F22-F29 HydrophobicContact CD1-CE1 4.4Å; F22-F29 HydrophobicContact CD1-CG 4.06Å; F22-F29 HydrophobicContact CG-CD1 4.29Å; F22-F29 HydrophobicContact CG-CE1 4.28Å; R27-F29 HydrophobicContact CB-CD1 4.29Å; R27-F29 WeakPolarHBondContact O-CD1 3.42Å; F29-I31 HydrophobicContact CD2-CG1 4.13Å; F29-I31 HydrophobicContact CE2-CD1 4.13Å; F29-I31 HydrophobicContact CE2-CG1 4.04Å; F29-Y43 HydrophobicContact CD2-CE1 4.37Å; F29-Y43 HydrophobicContact CE1-CE1 4.48Å; F29-Y43 AromaticContact CE2-CD1 3.92Å; F29-Y43 HydrophobicContact CE2-CD1 3.92Å; F29-Y43 AromaticContact CE2-CE1 3.51Å; F29-Y43 HydrophobicContact CE2-CE1 3.51Å; F29-Y43 HydrophobicContact CZ-CD1 4.42Å; F29-Y43 AromaticContact CZ-CE1 3.57Å; F29-Y43 HydrophobicContact CZ-CE1 3.57Å; F29-N45 HydrophobicContact CD1-CB 4.03Å; F29-N45 HydrophobicContact CE1-CB 3.77Å; F29-N45 HydrophobicContact CZ-CB 4.26Å; F29-N45 PolarHBondContact O-N 2.93Å; F29-I126 HydrophobicContact CB-CG2 4.49Å; F29-I126 HydrophobicContact CD2-CG2 4.37Å; F29-L127 WeakPolarHBondContact CA-O 3.41Å; F29-L127 WeakPolarHBondContact CB-O 3.42Å; F29-N128 HydrophobicContact CB-CB 4.39Å
30	I	93.8	Very high	84.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	156.3	168.6	74.1	-170.2	0	0	0	109.8	V41 Y43 C44 F48 L127 F129	I30-V41 HydrophobicContact CB-CG1 4.18Å; I30-V41 HydrophobicContact CD1-CG2 3.91Å; I30-Y43 CarbonylContact C-O 3.47Å; I30-Y43 VanDerWaalsContact CA-O 3.29Å; I30-Y43 WeakPolarHBondContact CA-O 3.42Å; I30-Y43 WeakPolarHBondContact CB-O 3.49Å; I30-C44 HydrophobicContact CB-CB 4.37Å; I30-C44 HydrophobicContact CG2-CB 3.66Å; I30-F48 HydrophobicContact CG2-CB 4.44Å; I30-F48 HydrophobicContact CG2-CD1 3.68Å; I30-F48 HydrophobicContact CG2-CD2 3.84Å; I30-F48 HydrophobicContact CG2-CE1 3.78Å; I30-F48 HydrophobicContact CG2-CE2 3.93Å; I30-F48 HydrophobicContact CG2-CG 3.7Å; I30-F48 HydrophobicContact CG2-CZ 3.9Å; I30-L127 HydrophobicContact CD1-CB 4.45Å; I30-L127 HydrophobicContact CG1-CB 4.04Å; I30-L127 HydrophobicContact CG1-CD1 4.38Å; I30-L127 PolarHBondContact N-O 2.81Å; I30-L127 PolarHBondContact O-N 3.25Å; I30-F129 HydrophobicContact CD1-CE2 4Å; I30-F129 HydrophobicContact CD1-CZ 4Å; I30-F129 HydrophobicContact CG1-CE2 3.99Å; I30-F129 HydrophobicContact CG1-CZ 4.46Å; I30-F129 HydrophobicContact CG2-CE2 4.2Å
31	I	91.6	Very high	85.1	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.5	172.8	-52	177.8	0	0	0	108.4	L15 I19 F29 I42 Y43 M124 F125	L15-I31 HydrophobicContact CD2-CD1 4.34Å; L15-I31 HydrophobicContact CD2-CG2 4.31Å; I19-I31 HydrophobicContact CD1-CD1 4.22Å; I19-I31 HydrophobicContact CG1-CD1 3.95Å; F29-I31 HydrophobicContact CD2-CG1 4.13Å; F29-I31 HydrophobicContact CE2-CD1 4.13Å; F29-I31 HydrophobicContact CE2-CG1 4.04Å; I31-I42 HydrophobicContact CB-CG1 4.3Å; I31-I42 HydrophobicContact CG2-CD1 4.14Å; I31-I42 HydrophobicContact CG2-CG1 4.12Å; I31-I42 WeakPolarHBondContact O-CG1 3.43Å; I31-I42 PolarHBondContact O-N 3.06Å; I31-Y43 HydrophobicContact CD1-CD1 4.21Å; I31-Y43 HydrophobicContact CG1-CD1 4.17Å; I31-Y43 PolarHBondContact N-O 3.21Å; I31-Y43 PolarHBondContact O-N 3.46Å; I31-M124 HydrophobicContact CG2-CB 4.18Å; I31-M124 HydrophobicContact CG2-CG 4.36Å; I31-M124 HydrophobicContact CG2-SD 4.22Å; I31-F125 WeakPolarHBondContact CA-O 3.36Å
32	A	90.6	Very high	85.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.7	178.5	0	0	0	0	0	111.8	A40 V41 C64 M124 F125	A32-A40 WeakPolarHBondContact CA-O 3.3Å; A32-V41 HydrophobicContact CB-CG2 4.46Å; A32-C64 HydrophobicContact CB-CB 3.45Å; A32-C64 VanDerWaalsContact CB-CB 3.45Å; A32-M124 CarbonylContact O-C 3.57Å; A32-M124 VanDerWaalsContact O-CA 3.27Å; A32-M124 WeakPolarHBondContact O-CA 3.39Å; A32-F125 PolarHBondContact N-O 2.91Å; A32-F125 PolarHBondContact O-N 3.47Å
33	N	89.3	Confident	86	Confident	35 Å²	35	59.3 Å²	59.3	19%	0.187	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.2	-175.9	-175.3	-11.5	0	0	0	111.3	R35 V36 C39 A40 I42 I123 M124	N33-R35 PolarHBondContact O-N 3.26Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 3.41Å; N33-V36 HydrophobicContact CB-CB 4.45Å; N33-V36 HydrophobicContact CB-CG2 4.18Å; N33-V36 WeakPolarHBondContact ND2-CG2 3.4Å; N33-V36 PolarHBondContact O-N 2.6Å; N33-C39 WeakPolarHBondContact O-CA 3.39Å; N33-A40 PolarHBondContact N-O 2.86Å; N33-I42 HydrophobicContact CB-CD1 4.47Å; N33-I42 HydrophobicContact CB-CG2 3.94Å; N33-I123 PolarHBondContact OD1-O 2.82Å; N33-M124 HydrophobicContact CB-SD 4.03Å
34	A	85.6	Confident	86.6	Confident	29 Å²	29	55.1 Å²	55.1	24%	0.24	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.4	-177.4	0	0	0	0	0	113.8	V122 I123 F125	A34-V122 HydrophobicContact CB-CG1 3.88Å; A34-I123 WeakPolarHBondContact CB-O 3.38Å; A34-I123 PolarHBondContact N-O 3.38Å; A34-F125 HydrophobicContact CB-CD2 3.86Å; A34-F125 HydrophobicContact CB-CE2 3.42Å; A34-F125 VanDerWaalsContact CB-CE2 3.42Å; A34-F125 HydrophobicContact CB-CZ 4.22Å
35	R	81.8	Confident	87.4	Confident	141 Å²	141	52.5 Å²	52.5	53%	0.532	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.2	-179.9	-61.3	-176.7	171.5	-165.9	-4.4	113.9	N33 I123	N33-R35 PolarHBondContact O-N 3.26Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 3.41Å; R35-I123 VanDerWaalsContact NH2-CD1 3.27Å
36	V	82.9	Confident	87.9	Confident	68 Å²	68	52.8 Å²	52.8	41%	0.412	27%	0.272	S	S	.	.	S	Bend	trans	-105.2	138.6	178.3	174	0	0	0	0	108.7	N33 N38 C39 A40	N33-V36 HydrophobicContact CB-CB 4.45Å; N33-V36 HydrophobicContact CB-CG2 4.18Å; N33-V36 WeakPolarHBondContact ND2-CG2 3.4Å; N33-V36 PolarHBondContact O-N 2.6Å; V36-N38 PolarHBondContact O-N 3.45Å; V36-C39 WeakPolarHBondContact O-CA 3.26Å; V36-C39 PolarHBondContact O-N 3.18Å; V36-A40 HydrophobicContact CG1-CB 4.19Å
37	E	74.8	Confident	88.4	Confident	172 Å²	172	48.2 Å²	48.2	80%	0.804	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	137.4	176.2	-65.8	173.3	-167.2	0	0	111.1	C39	E37-C39 PolarHBondContact O-N 3.39Å
38	N	81	Confident	88.7	Confident	133 Å²	133	43.9 Å²	43.9	71%	0.711	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	11.8	-172.9	-46.3	-64.4	0	0	0	116	V36 A40 P63	V36-N38 PolarHBondContact O-N 3.45Å; N38-A40 PolarHBondContact O-N 3.04Å; N38-P63 HydrophobicContact CB-CG 4.46Å
39	C	85.8	Confident	88.7	Confident	30 Å²	30	41.7 Å²	41.7	20%	0.203	22%	0.219	C	C	.	.			trans	49.3	60.4	176.8	-67.6	0	0	0	0	112.8	N33 V36 E37 C64	N33-C39 WeakPolarHBondContact O-CA 3.39Å; V36-C39 WeakPolarHBondContact O-CA 3.26Å; V36-C39 PolarHBondContact O-N 3.18Å; E37-C39 PolarHBondContact O-N 3.39Å; C39-C64 WeakPolarHBondContact CB-SG 3.33Å; C39-C64 WeakPolarHBondContact O-CB 3.09Å; C39-C64 PolarHBondContact O-N 3.23Å; C39-C64 PolarHBondContact O-SG 2.81Å
40	A	89.9	Confident	88.6	Confident	18 Å²	18	48.9 Å²	48.9	15%	0.149	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-64.5	141.6	-173.2	0	0	0	0	0	113.6	A32 N33 V36 N38 R62	A32-A40 WeakPolarHBondContact CA-O 3.3Å; N33-A40 PolarHBondContact N-O 2.86Å; V36-A40 HydrophobicContact CG1-CB 4.19Å; N38-A40 PolarHBondContact O-N 3.04Å; A40-R62 WeakPolarHBondContact CA-O 3.47Å
41	V	91.9	Very high	88.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.4	175.3	178	0	0	0	0	110.8	I30 A32 V59 Q61 R62 C64	I30-V41 HydrophobicContact CB-CG1 4.18Å; I30-V41 HydrophobicContact CD1-CG2 3.91Å; A32-V41 HydrophobicContact CB-CG2 4.46Å; V41-V59 HydrophobicContact CG1-CG1 4.22Å; V41-Q61 PolarHBondContact O-N 3.24Å; V41-R62 WeakPolarHBondContact CG2-O 3.4Å; V41-R62 PolarHBondContact N-O 3.24Å; V41-C64 HydrophobicContact CG2-CB 4.04Å
42	I	90.4	Very high	88.4	Confident	64 Å²	64	49 Å²	49	33%	0.328	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-12.5	-177.1	61.3	162.7	0	0	0	114.1	I31 N33 M60 M124	I31-I42 HydrophobicContact CB-CG1 4.3Å; I31-I42 HydrophobicContact CG2-CD1 4.14Å; I31-I42 HydrophobicContact CG2-CG1 4.12Å; I31-I42 WeakPolarHBondContact O-CG1 3.43Å; I31-I42 PolarHBondContact O-N 3.06Å; N33-I42 HydrophobicContact CB-CD1 4.47Å; N33-I42 HydrophobicContact CB-CG2 3.94Å; I42-M60 WeakPolarHBondContact O-CE 3.35Å; I42-M124 HydrophobicContact CD1-CE 3.75Å; I42-M124 HydrophobicContact CD1-SD 3.6Å
43	Y	91.4	Very high	88.3	Confident	44 Å²	44	51.1 Å²	51.1	17%	0.173	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	145.2	172.2	170.3	-83.5	0	0	0	109.6	I19 E23 F29 I30 I31 N45	I19-Y43 HydrophobicContact CD1-CD1 4.26Å; I19-Y43 HydrophobicContact CD1-CD2 3.76Å; I19-Y43 HydrophobicContact CD1-CE1 4.29Å; I19-Y43 HydrophobicContact CD1-CE2 3.76Å; I19-Y43 HydrophobicContact CD1-CG 4.02Å; I19-Y43 HydrophobicContact CG1-CD1 4.26Å; I19-Y43 HydrophobicContact CG1-CD2 4.49Å; I19-Y43 HydrophobicContact CG1-CE1 4Å; I19-Y43 HydrophobicContact CG1-CE2 4.21Å; I19-Y43 HydrophobicContact CG2-CE2 4.19Å; I19-Y43 WeakPolarHBondContact CG2-OH 3.36Å; E23-Y43 PolarHBondContact OE1-OH 2.85Å; E23-Y43 VanDerWaalsContact OE1-OH 3.06Å; F29-Y43 HydrophobicContact CD2-CE1 4.37Å; F29-Y43 HydrophobicContact CE1-CE1 4.48Å; F29-Y43 AromaticContact CE2-CD1 3.92Å; F29-Y43 HydrophobicContact CE2-CD1 3.92Å; F29-Y43 AromaticContact CE2-CE1 3.51Å; F29-Y43 HydrophobicContact CE2-CE1 3.51Å; F29-Y43 HydrophobicContact CZ-CD1 4.42Å; F29-Y43 AromaticContact CZ-CE1 3.57Å; F29-Y43 HydrophobicContact CZ-CE1 3.57Å; I30-Y43 CarbonylContact C-O 3.47Å; I30-Y43 VanDerWaalsContact CA-O 3.29Å; I30-Y43 WeakPolarHBondContact CA-O 3.42Å; I30-Y43 WeakPolarHBondContact CB-O 3.49Å; I31-Y43 HydrophobicContact CD1-CD1 4.21Å; I31-Y43 HydrophobicContact CG1-CD1 4.17Å; I31-Y43 PolarHBondContact N-O 3.21Å; I31-Y43 PolarHBondContact O-N 3.46Å; Y43-N45 HydrophobicContact CE1-CB 4.07Å
44	C	92.4	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.4	165.7	62	0	0	0	0	109.4	I30 F48 R56 V59	I30-C44 HydrophobicContact CB-CB 4.37Å; I30-C44 HydrophobicContact CG2-CB 3.66Å; C44-F48 HydrophobicContact CB-CD1 4.03Å; C44-R56 PolarHBondContact O-NE 3.04Å; C44-R56 PolarHBondContact O-NH2 2.98Å; C44-V59 HydrophobicContact CB-CG1 3.99Å
45	N	92.9	Very high	88.8	Confident	17 Å²	17	53.2 Å²	53.2	9%	0.091	28%	0.282	C	S	.	.			trans	-73.9	153	175.1	-168.6	4.9	0	0	0	110.6	R27 F29 Y43 G47 F48 C49	R27-N45 PolarHBondContact O-ND2 3.21Å; F29-N45 HydrophobicContact CD1-CB 4.03Å; F29-N45 HydrophobicContact CE1-CB 3.77Å; F29-N45 HydrophobicContact CZ-CB 4.26Å; F29-N45 PolarHBondContact O-N 2.93Å; Y43-N45 HydrophobicContact CE1-CB 4.07Å; N45-G47 VanDerWaalsContact C-N 3.27Å; N45-G47 PolarHBondContact O-N 2.71Å; N45-F48 WeakPolarHBondContact O-CB 3.45Å; N45-F48 PolarHBondContact O-N 3.15Å; N45-C49 PolarHBondContact O-N 2.88Å
46	D	90.5	Very high	89.3	Confident	87 Å²	87	51 Å²	51	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-37.7	177.8	-66.9	-30.1	0	0	0	111.5	F48 C49 E50 R56	D46-F48 PolarHBondContact O-N 3.06Å; D46-F48 VanDerWaalsContact O-N 3.13Å; D46-C49 WeakPolarHBondContact O-CA 3.38Å; D46-C49 VanDerWaalsContact O-CB 3.31Å; D46-C49 WeakPolarHBondContact O-CB 3.44Å; D46-C49 PolarHBondContact O-N 3.43Å; D46-E50 WeakPolarHBondContact O-CG 3.46Å; D46-E50 PolarHBondContact O-N 3.42Å; D46-R56 IonicContact OD1-CZ 3.45Å; D46-R56 IonicContact OD1-NH1 2.63Å; D46-R56 PolarHBondContact OD1-NH1 2.91Å; D46-R56 IonicContact OD1-NH2 2.8Å; D46-R56 PolarHBondContact OD1-NH2 3.26Å
47	G	90.2	Very high	89.6	Confident	13 Å²	13	52 Å²	52	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-14.5	173.4	0	0	0	0	0	115.3	K28 N45 L51	K28-G47 VanDerWaalsContact CD-O 3.22Å; K28-G47 WeakPolarHBondContact CD-O 3.28Å; K28-G47 WeakPolarHBondContact CE-O 3.41Å; K28-G47 VanDerWaalsContact CG-O 3.32Å; K28-G47 WeakPolarHBondContact CG-O 3.44Å; N45-G47 VanDerWaalsContact C-N 3.27Å; N45-G47 PolarHBondContact O-N 2.71Å; G47-L51 PolarHBondContact O-N 3.09Å
48	F	91.9	Very high	90.4	Very high	1 Å²	1	47 Å²	47	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-83.4	-41.4	167.1	175	-91	0	0	0	111.2	I30 C44 N45 D46 E50 L51 C52 V59 L69 F129	I30-F48 HydrophobicContact CG2-CB 4.44Å; I30-F48 HydrophobicContact CG2-CD1 3.68Å; I30-F48 HydrophobicContact CG2-CD2 3.84Å; I30-F48 HydrophobicContact CG2-CE1 3.78Å; I30-F48 HydrophobicContact CG2-CE2 3.93Å; I30-F48 HydrophobicContact CG2-CG 3.7Å; I30-F48 HydrophobicContact CG2-CZ 3.9Å; C44-F48 HydrophobicContact CB-CD1 4.03Å; N45-F48 WeakPolarHBondContact O-CB 3.45Å; N45-F48 PolarHBondContact O-N 3.15Å; D46-F48 PolarHBondContact O-N 3.06Å; D46-F48 VanDerWaalsContact O-N 3.13Å; F48-E50 VanDerWaalsContact C-N 3.31Å; F48-E50 PolarHBondContact O-N 2.88Å; F48-L51 WeakPolarHBondContact O-CB 3.27Å; F48-L51 PolarHBondContact O-N 3.26Å; F48-L51 VanDerWaalsContact O-N 3.08Å; F48-C52 PolarHBondContact O-N 3.04Å; F48-C52 VanDerWaalsContact O-N 3.13Å; F48-C52 PolarHBondContact O-SG 3.27Å; F48-V59 HydrophobicContact CD1-CG1 4.43Å; F48-V59 HydrophobicContact CE1-CG1 3.81Å; F48-V59 HydrophobicContact CE1-CG2 4.03Å; F48-L69 HydrophobicContact CE2-CD1 4.48Å; F48-L69 HydrophobicContact CZ-CD1 4.15Å; F48-F129 AromaticContact CD2-CD2 3.57Å; F48-F129 HydrophobicContact CD2-CD2 3.57Å; F48-F129 AromaticContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CG 4.06Å; F48-F129 HydrophobicContact CD2-CZ 4.41Å; F48-F129 HydrophobicContact CE2-CD1 4.17Å; F48-F129 AromaticContact CE2-CD2 3.66Å; F48-F129 HydrophobicContact CE2-CD2 3.66Å; F48-F129 HydrophobicContact CE2-CE1 4.01Å; F48-F129 AromaticContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CE2 3.47Å; F48-F129 VanDerWaalsContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CG 4.01Å; F48-F129 AromaticContact CE2-CZ 3.67Å; F48-F129 HydrophobicContact CE2-CZ 3.67Å; F48-F129 HydrophobicContact CZ-CE2 4.46Å; F48-F129 HydrophobicContact CZ-CZ 4.45Å
49	C	91.9	Very high	90.9	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-43.4	173.4	-54.9	0	0	0	0	111.2	N45 D46 L51 G53 Y54	N45-C49 PolarHBondContact O-N 2.88Å; D46-C49 WeakPolarHBondContact O-CA 3.38Å; D46-C49 VanDerWaalsContact O-CB 3.31Å; D46-C49 WeakPolarHBondContact O-CB 3.44Å; D46-C49 PolarHBondContact O-N 3.43Å; C49-L51 VanDerWaalsContact C-N 3.32Å; C49-L51 PolarHBondContact O-N 3.49Å; C49-G53 WeakPolarHBondContact O-CA 3.41Å; C49-G53 PolarHBondContact O-N 2.81Å; C49-Y54 WeakPolarHBondContact CB-O 3.36Å
50	E	90.3	Very high	91.1	Very high	150 Å²	150	42.4 Å²	42.4	70%	0.701	24%	0.238	S	C	*	.	H	α-helix	trans	-61	-36.4	172.5	-69.7	176.3	170.6	0	0	113.1	D46 F48	D46-E50 WeakPolarHBondContact O-CG 3.46Å; D46-E50 PolarHBondContact O-N 3.42Å; F48-E50 VanDerWaalsContact C-N 3.31Å; F48-E50 PolarHBondContact O-N 2.88Å
51	L	89.9	Confident	90.9	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-70.2	-40.1	-177.8	176.7	61.7	0	0	0	112.5	K28 G47 F48 C49 R100 F106 F129 V131	K28-L51 HydrophobicContact CD-CB 4.14Å; K28-L51 HydrophobicContact CD-CD2 4.05Å; G47-L51 PolarHBondContact O-N 3.09Å; F48-L51 WeakPolarHBondContact O-CB 3.27Å; F48-L51 PolarHBondContact O-N 3.26Å; F48-L51 VanDerWaalsContact O-N 3.08Å; C49-L51 VanDerWaalsContact C-N 3.32Å; C49-L51 PolarHBondContact O-N 3.49Å; L51-R100 VanDerWaalsContact O-CD 3.29Å; L51-R100 WeakPolarHBondContact O-CD 3.21Å; L51-R100 WeakPolarHBondContact O-CG 3.25Å; L51-R100 PolarHBondContact O-NE 2.86Å; L51-R100 VanDerWaalsContact O-NE 3.09Å; L51-F106 HydrophobicContact CD1-CD2 4.08Å; L51-F106 HydrophobicContact CD1-CE2 3.73Å; L51-F106 HydrophobicContact CD1-CZ 4.2Å; L51-F106 HydrophobicContact CD2-CE2 4.04Å; L51-F106 HydrophobicContact CD2-CZ 4.46Å; L51-F106 HydrophobicContact CG-CE2 3.83Å; L51-F106 HydrophobicContact CG-CZ 3.98Å; L51-F129 HydrophobicContact CD2-CB 3.87Å; L51-V131 HydrophobicContact CD1-CG2 3.48Å; L51-V131 VanDerWaalsContact CD1-CG2 3.48Å; L51-V131 HydrophobicContact CD2-CG2 4.45Å
52	C	90.5	Very high	90.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-102.1	-15.4	-174.8	66.9	0	0	0	0	114.2	F48 Y54 L69 R100 K101	F48-C52 PolarHBondContact O-N 3.04Å; F48-C52 VanDerWaalsContact O-N 3.13Å; F48-C52 PolarHBondContact O-SG 3.27Å; C52-Y54 HydrophobicContact CB-CD2 3.93Å; C52-Y54 VanDerWaalsContact O-CD2 3.32Å; C52-Y54 WeakPolarHBondContact O-CD2 3.46Å; C52-Y54 PolarHBondContact O-N 2.94Å; C52-L69 HydrophobicContact CB-CD2 3.71Å; C52-R100 CarbonylContact O-C 3.44Å; C52-R100 VanDerWaalsContact O-CA 3.28Å; C52-R100 WeakPolarHBondContact O-CA 3.13Å; C52-K101 PolarHBondContact O-N 3Å
53	G	89.8	Confident	90.8	Very high	44 Å²	44	54.8 Å²	54.8	45%	0.454	29%	0.29	S	S	.	.			trans	75.7	3.1	-176.5	0	0	0	0	0	114.8	C49 K101	C49-G53 WeakPolarHBondContact O-CA 3.41Å; C49-G53 PolarHBondContact O-N 2.81Å; G53-K101 WeakPolarHBondContact O-CD 3.12Å
54	Y	92.5	Very high	90.7	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.204	28%	0.282	C	S	.	.			trans	-89.4	144.4	175.4	-67.1	-91.6	0	0	0	111.3	C49 C52 E58 F68 L69 K101	C49-Y54 WeakPolarHBondContact CB-O 3.36Å; C52-Y54 HydrophobicContact CB-CD2 3.93Å; C52-Y54 VanDerWaalsContact O-CD2 3.32Å; C52-Y54 WeakPolarHBondContact O-CD2 3.46Å; C52-Y54 PolarHBondContact O-N 2.94Å; Y54-E58 HydrophobicContact CD1-CB 4.3Å; Y54-F68 HydrophobicContact CD2-CD2 4.34Å; Y54-F68 HydrophobicContact CD2-CE2 4.44Å; Y54-F68 HydrophobicContact CE2-CD2 4.29Å; Y54-F68 PolarHBondContact OH-O 2.83Å; Y54-L69 HydrophobicContact CD2-CD2 4.01Å; Y54-L69 HydrophobicContact CE2-CD2 3.83Å; Y54-K101 HydrophobicContact CD1-CB 4.5Å; Y54-K101 HydrophobicContact CD1-CD 3.95Å; Y54-K101 HydrophobicContact CD1-CG 4.24Å; Y54-K101 HydrophobicContact CD2-CB 4.09Å; Y54-K101 HydrophobicContact CE1-CB 4.27Å; Y54-K101 HydrophobicContact CE1-CD 4.13Å; Y54-K101 HydrophobicContact CE1-CG 3.94Å; Y54-K101 HydrophobicContact CE2-CB 3.83Å; Y54-K101 HydrophobicContact CE2-CG 4.41Å; Y54-K101 HydrophobicContact CG-CB 4.41Å; Y54-K101 HydrophobicContact CG-CD 4.3Å
55	S	92.4	Very high	90.4	Very high	55 Å²	55	54.6 Å²	54.6	39%	0.385	29%	0.293	S	S	.	.			trans	-75.8	154.8	175.2	66.2	0	0	0	0	111.5	A57 E58 V59	S55-A57 PolarHBondContact O-N 3.41Å; S55-A57 VanDerWaalsContact O-N 3.09Å; S55-E58 WeakPolarHBondContact CB-OE2 3.48Å; S55-E58 PolarHBondContact N-OE2 2.91Å; S55-E58 PolarHBondContact O-N 3.34Å; S55-E58 VanDerWaalsContact OG-CD 3.31Å; S55-E58 WeakPolarHBondContact OG-CG 3.39Å; S55-E58 PolarHBondContact OG-OE2 2.75Å; S55-V59 PolarHBondContact O-N 2.93Å
56	R	91.4	Very high	90.2	Very high	95 Å²	95	53.9 Å²	53.9	36%	0.358	29%	0.29	S	S	.	.	H	α-helix	trans	-52.2	-33.8	174.7	179.2	171.4	-76.3	114.9	-2.9	112.4	C44 D46 E58 M60	C44-R56 PolarHBondContact O-NE 3.04Å; C44-R56 PolarHBondContact O-NH2 2.98Å; D46-R56 IonicContact OD1-CZ 3.45Å; D46-R56 IonicContact OD1-NH1 2.63Å; D46-R56 PolarHBondContact OD1-NH1 2.91Å; D46-R56 IonicContact OD1-NH2 2.8Å; D46-R56 PolarHBondContact OD1-NH2 3.26Å; R56-E58 VanDerWaalsContact C-N 3.34Å; R56-E58 PolarHBondContact O-N 2.99Å; R56-M60 HydrophobicContact CG-CG 3.87Å; R56-M60 VanDerWaalsContact O-CB 3.31Å; R56-M60 WeakPolarHBondContact O-CB 3.32Å; R56-M60 WeakPolarHBondContact O-CG 3.47Å; R56-M60 PolarHBondContact O-N 2.93Å
57	A	89.6	Confident	90.1	Very high	90 Å²	90	54.1 Å²	54.1	74%	0.744	29%	0.291	S	S	*	.	H	α-helix	trans	-69.2	-25.9	177.1	0	0	0	0	0	114.4	S55	S55-A57 PolarHBondContact O-N 3.41Å; S55-A57 VanDerWaalsContact O-N 3.09Å
58	E	90.7	Very high	90.1	Very high	66 Å²	66	55.6 Å²	55.6	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-86.7	-27	179.3	-67.9	165.1	122.8	0	0	112.7	Y54 S55 R56 R62 K101	Y54-E58 HydrophobicContact CD1-CB 4.3Å; S55-E58 WeakPolarHBondContact CB-OE2 3.48Å; S55-E58 PolarHBondContact N-OE2 2.91Å; S55-E58 PolarHBondContact O-N 3.34Å; S55-E58 VanDerWaalsContact OG-CD 3.31Å; S55-E58 WeakPolarHBondContact OG-CG 3.39Å; S55-E58 PolarHBondContact OG-OE2 2.75Å; R56-E58 VanDerWaalsContact C-N 3.34Å; R56-E58 PolarHBondContact O-N 2.99Å; E58-R62 VanDerWaalsContact O-CG 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.29Å; E58-R62 PolarHBondContact O-NE 2.93Å; E58-K101 WeakPolarHBondContact OE1-CE 3.46Å; E58-K101 IonicContact OE1-NZ 3.24Å; E58-K101 PolarHBondContact OE1-NZ 3.09Å; E58-K101 IonicContact OE2-NZ 2.66Å; E58-K101 PolarHBondContact OE2-NZ 3.5Å
59	V	91.6	Very high	90	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-87.3	-38.8	-178.3	174.7	0	0	0	0	112.4	V41 C44 F48 S55 R62 F68	V41-V59 HydrophobicContact CG1-CG1 4.22Å; C44-V59 HydrophobicContact CB-CG1 3.99Å; F48-V59 HydrophobicContact CD1-CG1 4.43Å; F48-V59 HydrophobicContact CE1-CG1 3.81Å; F48-V59 HydrophobicContact CE1-CG2 4.03Å; S55-V59 PolarHBondContact O-N 2.93Å; V59-R62 WeakPolarHBondContact O-CB 3.33Å; V59-R62 WeakPolarHBondContact O-CG 3.44Å; V59-R62 PolarHBondContact O-N 3.48Å; V59-F68 HydrophobicContact CG1-CZ 4.36Å; V59-F68 HydrophobicContact CG2-CE2 4.23Å; V59-F68 HydrophobicContact CG2-CZ 4.26Å
60	M	90	Very high	90	Very high	66 Å²	66	57.8 Å²	57.8	33%	0.325	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	147	179.8	-72.2	-78.5	-71	0	0	111.6	I42 R56 R62	I42-M60 WeakPolarHBondContact O-CE 3.35Å; R56-M60 HydrophobicContact CG-CG 3.87Å; R56-M60 VanDerWaalsContact O-CB 3.31Å; R56-M60 WeakPolarHBondContact O-CB 3.32Å; R56-M60 WeakPolarHBondContact O-CG 3.47Å; R56-M60 PolarHBondContact O-N 2.93Å; M60-R62 PolarHBondContact O-N 2.99Å
61	Q	87.1	Confident	89.9	Confident	173 Å²	173	51.9 Å²	51.9	81%	0.808	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	3.7	-176.8	-55	-176.9	-7.3	0	0	115.9	V41	V41-Q61 PolarHBondContact O-N 3.24Å
62	R	90	Very high	89.7	Confident	128 Å²	128	57.8 Å²	57.8	48%	0.483	32%	0.32	S	S	.	.	S	Bend	trans	-76.9	157.6	169.4	-63.5	-64.1	-169.7	156.5	-1	111.9	A40 V41 E58 V59 M60 F68	A40-R62 WeakPolarHBondContact CA-O 3.47Å; V41-R62 WeakPolarHBondContact CG2-O 3.4Å; V41-R62 PolarHBondContact N-O 3.24Å; E58-R62 VanDerWaalsContact O-CG 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.29Å; E58-R62 PolarHBondContact O-NE 2.93Å; V59-R62 WeakPolarHBondContact O-CB 3.33Å; V59-R62 WeakPolarHBondContact O-CG 3.44Å; V59-R62 PolarHBondContact O-N 3.48Å; M60-R62 PolarHBondContact O-N 2.99Å; R62-F68 HydrophobicContact CB-CD1 4.23Å; R62-F68 HydrophobicContact CB-CE1 3.79Å; R62-F68 HydrophobicContact CG-CD1 4.16Å; R62-F68 HydrophobicContact CG-CE1 3.98Å
63	P	90.3	Very high	89.4	Confident	43 Å²	43	66 Å²	66	28%	0.279	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-60	140.6	167.1	-22	34	0	0	0	112	N38 T65 C66	N38-P63 HydrophobicContact CB-CG 4.46Å; P63-T65 PolarHBondContact O-N 2.92Å; P63-C66 PolarHBondContact O-N 3Å
64	C	87.7	Confident	89.4	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.014	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	0.4	179.7	61.2	0	0	0	0	115.4	A32 C39 V41 C66 L127	A32-C64 HydrophobicContact CB-CB 3.45Å; A32-C64 VanDerWaalsContact CB-CB 3.45Å; C39-C64 WeakPolarHBondContact CB-SG 3.33Å; C39-C64 WeakPolarHBondContact O-CB 3.09Å; C39-C64 PolarHBondContact O-N 3.23Å; C39-C64 PolarHBondContact O-SG 2.81Å; V41-C64 HydrophobicContact CG2-CB 4.04Å; C64-C66 PolarHBondContact O-N 3.46Å; C64-L127 HydrophobicContact CB-CD1 4.22Å; C64-L127 WeakPolarHBondContact O-CD2 3.42Å
65	T	87.4	Confident	89.2	Confident	39 Å²	39	68.8 Å²	68.8	24%	0.239	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.2	163.1	47.4	0	0	0	0	112.6	P63 D67 H70 A83 L86	P63-T65 PolarHBondContact O-N 2.92Å; T65-D67 WeakPolarHBondContact CB-OD1 3.28Å; T65-D67 PolarHBondContact O-N 3.47Å; T65-D67 PolarHBondContact OG1-OD1 2.81Å; T65-H70 PolarHBondContact O-CE1 2.89Å; T65-A83 HydrophobicContact CG2-CB 4.37Å; T65-L86 HydrophobicContact CG2-CD1 4.01Å
66	C	88.6	Confident	89	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.014	38%	0.379	C	S	.	.			trans	56.8	44.3	177.4	-64.5	0	0	0	0	113.9	P63 C64 F68 L69 H70	P63-C66 PolarHBondContact O-N 3Å; C64-C66 PolarHBondContact O-N 3.46Å; C66-F68 HydrophobicContact CB-CE1 4.2Å; C66-F68 HydrophobicContact CB-CZ 4.32Å; C66-F68 PolarHBondContact O-N 3.16Å; C66-L69 HydrophobicContact CB-CD1 3.96Å; C66-L69 HydrophobicContact CB-CG 4.17Å; C66-L69 WeakPolarHBondContact O-CB 3.18Å; C66-L69 PolarHBondContact O-N 3.28Å; C66-H70 PolarHBondContact O-ND1 3.06Å
67	D	87.8	Confident	88.9	Confident	91 Å²	91	82.4 Å²	82.4	49%	0.487	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-51.4	-31.6	178.9	-44.7	-17.7	0	0	0	112.9	T65 L69 H70	T65-D67 WeakPolarHBondContact CB-OD1 3.28Å; T65-D67 PolarHBondContact O-N 3.47Å; T65-D67 PolarHBondContact OG1-OD1 2.81Å; D67-L69 PolarHBondContact O-N 2.88Å; D67-H70 VanDerWaalsContact O-CB 3.28Å; D67-H70 WeakPolarHBondContact O-CB 3.37Å; D67-H70 PolarHBondContact O-N 2.94Å
68	F	89.6	Confident	88.8	Confident	45 Å²	45	78.3 Å²	78.3	20%	0.197	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-69	-12	177.8	62.1	-91.1	0	0	0	114.5	Y54 V59 R62 C66	Y54-F68 HydrophobicContact CD2-CD2 4.34Å; Y54-F68 HydrophobicContact CD2-CE2 4.44Å; Y54-F68 HydrophobicContact CE2-CD2 4.29Å; Y54-F68 PolarHBondContact OH-O 2.83Å; V59-F68 HydrophobicContact CG1-CZ 4.36Å; V59-F68 HydrophobicContact CG2-CE2 4.23Å; V59-F68 HydrophobicContact CG2-CZ 4.26Å; R62-F68 HydrophobicContact CB-CD1 4.23Å; R62-F68 HydrophobicContact CB-CE1 3.79Å; R62-F68 HydrophobicContact CG-CD1 4.16Å; R62-F68 HydrophobicContact CG-CE1 3.98Å; C66-F68 HydrophobicContact CB-CE1 4.2Å; C66-F68 HydrophobicContact CB-CZ 4.32Å; C66-F68 PolarHBondContact O-N 3.16Å
69	L	91	Very high	88.7	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.005	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-95.3	-3.8	171.2	-57.2	-177	0	0	0	112.7	F48 C52 Y54 C66 D67 F98 Y99	F48-L69 HydrophobicContact CE2-CD1 4.48Å; F48-L69 HydrophobicContact CZ-CD1 4.15Å; C52-L69 HydrophobicContact CB-CD2 3.71Å; Y54-L69 HydrophobicContact CD2-CD2 4.01Å; Y54-L69 HydrophobicContact CE2-CD2 3.83Å; C66-L69 HydrophobicContact CB-CD1 3.96Å; C66-L69 HydrophobicContact CB-CG 4.17Å; C66-L69 WeakPolarHBondContact O-CB 3.18Å; C66-L69 PolarHBondContact O-N 3.28Å; D67-L69 PolarHBondContact O-N 2.88Å; L69-F98 HydrophobicContact CB-CB 4.16Å; L69-F98 HydrophobicContact CB-CD1 3.49Å; L69-F98 VanDerWaalsContact CB-CD1 3.49Å; L69-F98 HydrophobicContact CB-CE1 3.98Å; L69-F98 HydrophobicContact CB-CG 3.9Å; L69-F98 HydrophobicContact CD1-CD1 4.36Å; L69-F98 HydrophobicContact CD1-CD2 4.25Å; L69-F98 HydrophobicContact CD1-CE1 4.48Å; L69-F98 HydrophobicContact CD1-CE2 4.38Å; L69-F98 HydrophobicContact CD1-CG 4.24Å; L69-F98 HydrophobicContact CD1-CZ 4.49Å; L69-F98 WeakPolarHBondContact O-CA 3.44Å; L69-Y99 PolarHBondContact O-N 3.13Å
70	H	91	Very high	88.6	Confident	64 Å²	64	78.9 Å²	78.9	30%	0.296	38%	0.38	S	S	.	.			trans	-79.9	145.3	-179.5	-64.2	21.5	0	0	0	111.2	T65 C66 D67 T74 A79 F98	T65-H70 PolarHBondContact O-CE1 2.89Å; C66-H70 PolarHBondContact O-ND1 3.06Å; D67-H70 VanDerWaalsContact O-CB 3.28Å; D67-H70 WeakPolarHBondContact O-CB 3.37Å; D67-H70 PolarHBondContact O-N 2.94Å; H70-T74 HydrophobicContact CB-CG2 4.12Å; H70-A79 WeakPolarHBondContact NE2-CB 3.46Å; H70-F98 AromaticContact ND1-CE1 3.99Å
71	G	88.9	Confident	88.6	Confident	26 Å²	26	79.8 Å²	79.8	27%	0.268	38%	0.384	S	S	.	.			trans	-157	-168	175.1	0	0	0	0	0	112.6	R73 T74 Y99	G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.26Å; G71-T74 PolarHBondContact N-OG1 3.04Å; G71-T74 VanDerWaalsContact O-CB 3.27Å; G71-T74 WeakPolarHBondContact O-CB 3.35Å; G71-T74 PolarHBondContact O-N 3.12Å; G71-T74 PolarHBondContact O-OG1 3.44Å; G71-Y99 VanDerWaalsContact CA-CE2 3.46Å
72	P	85.5	Confident	88.7	Confident	130 Å²	130	71.8 Å²	71.8	84%	0.844	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.1	-169.1	-30.7	36.3	0	0	0	116.4
73	R	84.4	Confident	88.7	Confident	175 Å²	175	67.3 Å²	67.3	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.1	178.1	-65.6	177	72.9	-175.9	3.7	114.3	G71 Q75 A97 Y99	G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.26Å; R73-Q75 PolarHBondContact O-N 3.04Å; R73-A97 HydrophobicContact CB-CB 4.34Å; R73-Y99 HydrophobicContact CB-CE2 4.29Å; R73-Y99 WeakPolarHBondContact CB-OH 3.49Å; R73-Y99 WeakPolarHBondContact CG-OH 3.32Å; R73-Y99 PolarHBondContact N-OH 3.47Å; R73-Y99 VanDerWaalsContact N-OH 3.1Å
74	T	89.3	Confident	88.6	Confident	19 Å²	19	71 Å²	71	12%	0.117	35%	0.35	C	S	.	.			trans	-74.7	114.5	-179.1	-53.1	0	0	0	0	110.5	H70 G71 R76 I96 A97	H70-T74 HydrophobicContact CB-CG2 4.12Å; G71-T74 PolarHBondContact N-OG1 3.04Å; G71-T74 VanDerWaalsContact O-CB 3.27Å; G71-T74 WeakPolarHBondContact O-CB 3.35Å; G71-T74 PolarHBondContact O-N 3.12Å; G71-T74 PolarHBondContact O-OG1 3.44Å; T74-R76 PolarHBondContact O-N 3Å; T74-I96 HydrophobicContact CG2-CD1 3.76Å; T74-I96 HydrophobicContact CG2-CG1 3.79Å; T74-A97 WeakPolarHBondContact CB-O 2.91Å; T74-A97 PolarHBondContact OG1-O 3.15Å
75	Q	89.7	Confident	88.7	Confident	135 Å²	135	70.9 Å²	70.9	63%	0.631	35%	0.349	S	S	*	.			trans	-70.8	121.1	-178.2	-61.6	-171.2	27.6	0	0	111.4	R73 R77 A78 A79	R73-Q75 PolarHBondContact O-N 3.04Å; Q75-R77 PolarHBondContact O-N 3.45Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-A78 HydrophobicContact CB-CB 4.23Å; Q75-A78 WeakPolarHBondContact O-CB 3.49Å; Q75-A78 PolarHBondContact O-N 2.81Å; Q75-A79 PolarHBondContact O-N 3Å; Q75-A79 VanDerWaalsContact O-N 3.14Å
76	R	87.6	Confident	88.7	Confident	231 Å²	231	69.8 Å²	69.8	87%	0.872	34%	0.342	S	S	*	.	H	α-helix	trans	-54.3	-30.2	175.5	-67.9	-175	-178.8	174.5	0.4	113.4	T74 A80	T74-R76 PolarHBondContact O-N 3Å; R76-A80 VanDerWaalsContact O-CB 3.31Å; R76-A80 WeakPolarHBondContact O-CB 3.42Å; R76-A80 PolarHBondContact O-N 3.24Å
77	R	89.7	Confident	88.5	Confident	204 Å²	204	77.3 Å²	77.3	77%	0.77	38%	0.382	S	S	*	.	H	α-helix	trans	-65.8	-41	174.6	-69.5	-177.4	177.9	174.8	-0.7	112.6	Q75 Q81	Q75-R77 PolarHBondContact O-N 3.45Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; R77-Q81 VanDerWaalsContact O-CG 3.29Å; R77-Q81 WeakPolarHBondContact O-CG 3.32Å; R77-Q81 PolarHBondContact O-N 3.37Å
78	A	86.6	Confident	88.3	Confident	5 Å²	5	75.3 Å²	75.3	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-69.8	-44	177.1	0	0	0	0	0	111.4	Q75 A80 Q81 I82 V94 I96	Q75-A78 HydrophobicContact CB-CB 4.23Å; Q75-A78 WeakPolarHBondContact O-CB 3.49Å; Q75-A78 PolarHBondContact O-N 2.81Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 3.17Å; A78-Q81 WeakPolarHBondContact O-CB 3.43Å; A78-Q81 PolarHBondContact O-N 2.61Å; A78-Q81 VanDerWaalsContact O-N 3.12Å; A78-I82 PolarHBondContact O-N 3.23Å; A78-V94 HydrophobicContact CB-CG1 3.82Å; A78-I96 HydrophobicContact CB-CB 4.17Å; A78-I96 HydrophobicContact CB-CD1 4.04Å; A78-I96 HydrophobicContact CB-CG1 4.02Å
79	A	88.8	Confident	88.1	Confident	21 Å²	21	74 Å²	74	17%	0.174	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-43.8	174.1	0	0	0	0	0	112.1	H70 Q75 Q81 I82 A83 I96	H70-A79 WeakPolarHBondContact NE2-CB 3.46Å; Q75-A79 PolarHBondContact O-N 3Å; Q75-A79 VanDerWaalsContact O-N 3.14Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 2.86Å; A79-I82 PolarHBondContact O-N 2.64Å; A79-A83 PolarHBondContact O-N 2.79Å; A79-I96 HydrophobicContact CB-CD1 4.39Å
80	A	89.7	Confident	87.8	Confident	56 Å²	56	78.5 Å²	78.5	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-35.3	174.9	0	0	0	0	0	113.1	R76 A78 A83 Q84	R76-A80 VanDerWaalsContact O-CB 3.31Å; R76-A80 WeakPolarHBondContact O-CB 3.42Å; R76-A80 PolarHBondContact O-N 3.24Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 3.17Å; A80-A83 PolarHBondContact O-N 2.93Å; A80-Q84 VanDerWaalsContact O-CB 3.29Å; A80-Q84 WeakPolarHBondContact O-CB 3.29Å; A80-Q84 PolarHBondContact O-N 3.12Å
81	Q	89.9	Confident	87.6	Confident	86 Å²	86	80.4 Å²	80.4	40%	0.402	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-36.4	174.8	-75.6	168.7	-7.7	0	0	112.7	R77 A78 A79 Q84 A85 V94	R77-Q81 VanDerWaalsContact O-CG 3.29Å; R77-Q81 WeakPolarHBondContact O-CG 3.32Å; R77-Q81 PolarHBondContact O-N 3.37Å; A78-Q81 WeakPolarHBondContact O-CB 3.43Å; A78-Q81 PolarHBondContact O-N 2.61Å; A78-Q81 VanDerWaalsContact O-N 3.12Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 2.86Å; Q81-Q84 PolarHBondContact O-N 2.81Å; Q81-A85 WeakPolarHBondContact O-CB 3.45Å; Q81-A85 PolarHBondContact O-N 2.66Å; Q81-V94 HydrophobicContact CB-CG1 4.32Å; Q81-V94 HydrophobicContact CB-CG2 4.03Å
82	I	89.5	Confident	87.6	Confident	5 Å²	5	83.4 Å²	83.4	3%	0.026	41%	0.413	C	S	.	.	H	α-helix	trans	-66.3	-47.9	173.6	-65.1	169.7	0	0	0	109.9	A78 A79 Q84 A85 L86 V94 I96 V110 V112	A78-I82 PolarHBondContact O-N 3.23Å; A79-I82 PolarHBondContact O-N 2.64Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.68Å; I82-A85 PolarHBondContact O-N 3.24Å; I82-L86 HydrophobicContact CG2-CD1 4.14Å; I82-L86 WeakPolarHBondContact O-CG 3.24Å; I82-L86 PolarHBondContact O-N 3.01Å; I82-V94 HydrophobicContact CD1-CB 4.42Å; I82-V94 HydrophobicContact CD1-CG1 4.36Å; I82-V94 HydrophobicContact CG1-CB 3.93Å; I82-V94 HydrophobicContact CG1-CG1 4.06Å; I82-V94 HydrophobicContact CG1-CG2 4.02Å; I82-I96 HydrophobicContact CD1-CD1 3.83Å; I82-I96 HydrophobicContact CD1-CG2 4.25Å; I82-V110 HydrophobicContact CD1-CB 4.29Å; I82-V110 HydrophobicContact CD1-CG1 4.45Å; I82-V110 HydrophobicContact CD1-CG2 4.25Å; I82-V112 HydrophobicContact CG2-CG2 4.45Å
83	A	89.3	Confident	87.9	Confident	33 Å²	33	82.4 Å²	82.4	27%	0.273	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-40	175.7	0	0	0	0	0	112.4	T65 A79 A80 L86 L87	T65-A83 HydrophobicContact CG2-CB 4.37Å; A79-A83 PolarHBondContact O-N 2.79Å; A80-A83 PolarHBondContact O-N 2.93Å; A83-L86 PolarHBondContact O-N 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 2.85Å
84	Q	89.1	Confident	88.3	Confident	120 Å²	120	74.2 Å²	74.2	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-68	-37	175.9	-171.5	176.2	9.8	0	0	112.6	A80 Q81 I82 L87 G88	A80-Q84 VanDerWaalsContact O-CB 3.29Å; A80-Q84 WeakPolarHBondContact O-CB 3.29Å; A80-Q84 PolarHBondContact O-N 3.12Å; Q81-Q84 PolarHBondContact O-N 2.81Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.68Å; Q84-L87 PolarHBondContact O-N 2.95Å; Q84-G88 PolarHBondContact O-N 3.07Å
85	A	88.2	Confident	88.4	Confident	0 Å²	0	79 Å²	79	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-64.9	-40.6	175.3	0	0	0	0	0	112.1	Q81 I82 A89 E90 R92 V112	Q81-A85 WeakPolarHBondContact O-CB 3.45Å; Q81-A85 PolarHBondContact O-N 2.66Å; I82-A85 PolarHBondContact O-N 3.24Å; A85-A89 WeakPolarHBondContact O-CA 3.38Å; A85-A89 PolarHBondContact O-N 3.38Å; A85-E90 PolarHBondContact O-N 3.05Å; A85-R92 HydrophobicContact CB-CB 3.8Å; A85-V112 HydrophobicContact CB-CB 4.48Å; A85-V112 HydrophobicContact CB-CG1 4.39Å
86	L	87.9	Confident	88.5	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-44.3	174.9	-66.5	167.3	0	0	0	111.6	T65 I82 A83 V112 F125 L127	T65-L86 HydrophobicContact CG2-CD1 4.01Å; I82-L86 HydrophobicContact CG2-CD1 4.14Å; I82-L86 WeakPolarHBondContact O-CG 3.24Å; I82-L86 PolarHBondContact O-N 3.01Å; A83-L86 PolarHBondContact O-N 3.27Å; L86-V112 HydrophobicContact CD2-CG1 3.94Å; L86-V112 HydrophobicContact CG-CG1 4.49Å; L86-F125 HydrophobicContact CD2-CB 4.01Å; L86-F125 HydrophobicContact CD2-CD1 3.7Å; L86-F125 HydrophobicContact CD2-CD2 3.84Å; L86-F125 HydrophobicContact CD2-CE1 4.09Å; L86-F125 HydrophobicContact CD2-CE2 4.22Å; L86-F125 HydrophobicContact CD2-CG 3.57Å; L86-F125 HydrophobicContact CD2-CZ 4.35Å; L86-F125 WeakPolarHBondContact O-CZ 3.45Å; L86-L127 HydrophobicContact CD2-CD1 4.46Å
87	L	85.9	Confident	88.7	Confident	160 Å²	160	62.6 Å²	62.6	84%	0.838	32%	0.322	S	S	*	.	H	α-helix	trans	-72.2	-37	178.7	-70.2	170.9	0	0	0	113.5	A83 Q84	A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 2.85Å; Q84-L87 PolarHBondContact O-N 2.95Å
88	G	83.1	Confident	88.8	Confident	49 Å²	49	53 Å²	53	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-82.4	-13.4	178.4	0	0	0	0	0	114.5	Q84 E90	Q84-G88 PolarHBondContact O-N 3.07Å; G88-E90 VanDerWaalsContact C-N 3.29Å; G88-E90 PolarHBondContact O-N 3.27Å
89	A	84.3	Confident	89.1	Confident	18 Å²	18	54.7 Å²	54.7	15%	0.149	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	45.6	-174.4	0	0	0	0	0	114.5	A85 P114 K116 V122 F125	A85-A89 WeakPolarHBondContact O-CA 3.38Å; A85-A89 PolarHBondContact O-N 3.38Å; A89-P114 HydrophobicContact CB-CB 4.39Å; A89-P114 WeakPolarHBondContact O-CG 3.35Å; A89-K116 PolarHBondContact O-NZ 2.86Å; A89-V122 HydrophobicContact CB-CB 4.49Å; A89-V122 HydrophobicContact CB-CG2 3.43Å; A89-V122 VanDerWaalsContact CB-CG2 3.43Å; A89-F125 HydrophobicContact CB-CE1 4.49Å
90	E	84.4	Confident	89.2	Confident	95 Å²	95	56.3 Å²	56.3	44%	0.444	29%	0.294	S	S	.	.			trans	-100	147.7	173.4	-62.7	-177.8	164.4	0	0	110.6	A85 G88 R92	A85-E90 PolarHBondContact O-N 3.05Å; G88-E90 VanDerWaalsContact C-N 3.29Å; G88-E90 PolarHBondContact O-N 3.27Å; E90-R92 PolarHBondContact O-N 3.27Å; E90-R92 IonicContact OE2-CZ 3.48Å; E90-R92 IonicContact OE2-NE 3.53Å; E90-R92 IonicContact OE2-NH2 2.65Å; E90-R92 PolarHBondContact OE2-NH2 3.44Å
91	E	87.9	Confident	89.2	Confident	104 Å²	104	58.5 Å²	58.5	49%	0.486	29%	0.293	S	S	.	.			trans	-72.1	122.2	165.7	-173.4	-179	148.7	0	0	108.6	V112 V113	E91-V112 WeakPolarHBondContact CA-O 3.32Å; E91-V113 HydrophobicContact CG-CG2 4.43Å
92	R	89.2	Confident	89.1	Confident	88 Å²	88	60.1 Å²	60.1	33%	0.332	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	134.2	-176.5	-163.6	171.1	-74	-126.7	1.8	112.4	A85 E90 V94 V112	A85-R92 HydrophobicContact CB-CB 3.8Å; E90-R92 PolarHBondContact O-N 3.27Å; E90-R92 IonicContact OE2-CZ 3.48Å; E90-R92 IonicContact OE2-NE 3.53Å; E90-R92 IonicContact OE2-NH2 2.65Å; E90-R92 PolarHBondContact OE2-NH2 3.44Å; R92-V94 HydrophobicContact CG-CG2 4.19Å; R92-V112 PolarHBondContact N-O 3.03Å; R92-V112 VanDerWaalsContact N-O 3.14Å; R92-V112 PolarHBondContact O-N 3.4Å
93	K	92.3	Very high	88.8	Confident	109 Å²	109	62.3 Å²	62.3	47%	0.474	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127	176.7	-61.1	-176.7	-166.4	-121.1	0	109.5	L109 V110 D111	K93-L109 HydrophobicContact CB-CD1 4.17Å; K93-V110 CarbonylContact C-O 3.53Å; K93-V110 WeakPolarHBondContact CA-O 3.22Å; K93-D111 WeakPolarHBondContact CE-OD1 3.32Å; K93-D111 HydrophobicContact CG-CB 4.34Å; K93-D111 VanDerWaalsContact CG-OD1 3.25Å; K93-D111 WeakPolarHBondContact CG-OD1 3.31Å; K93-D111 IonicContact NZ-OD1 2.7Å; K93-D111 PolarHBondContact NZ-OD1 3.42Å; K93-D111 VanDerWaalsContact NZ-OD1 3.15Å; K93-D111 IonicContact NZ-OD2 2.74Å; K93-D111 PolarHBondContact NZ-OD2 2.85Å
94	V	91.8	Very high	88.8	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.6	-175.6	-175.3	0	0	0	0	109.5	A78 Q81 I82 R92 V110	A78-V94 HydrophobicContact CB-CG1 3.82Å; Q81-V94 HydrophobicContact CB-CG1 4.32Å; Q81-V94 HydrophobicContact CB-CG2 4.03Å; I82-V94 HydrophobicContact CD1-CB 4.42Å; I82-V94 HydrophobicContact CD1-CG1 4.36Å; I82-V94 HydrophobicContact CG1-CB 3.93Å; I82-V94 HydrophobicContact CG1-CG1 4.06Å; I82-V94 HydrophobicContact CG1-CG2 4.02Å; R92-V94 HydrophobicContact CG-CG2 4.19Å; V94-V110 PolarHBondContact N-O 3.08Å; V94-V110 PolarHBondContact O-N 3.48Å
95	E	92	Very high	88.7	Confident	118 Å²	118	59 Å²	59	55%	0.551	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	129	169.4	-70.1	-174.5	-174.7	0	0	110.4	L109	E95-L109 HydrophobicContact CG-CD1 3.65Å
96	I	91.5	Very high	88.8	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	140.3	-177.2	-167.3	164.9	0	0	0	110.7	T74 A78 A79 I82 F98 C108 V110	T74-I96 HydrophobicContact CG2-CD1 3.76Å; T74-I96 HydrophobicContact CG2-CG1 3.79Å; A78-I96 HydrophobicContact CB-CB 4.17Å; A78-I96 HydrophobicContact CB-CD1 4.04Å; A78-I96 HydrophobicContact CB-CG1 4.02Å; A79-I96 HydrophobicContact CB-CD1 4.39Å; I82-I96 HydrophobicContact CD1-CD1 3.83Å; I82-I96 HydrophobicContact CD1-CG2 4.25Å; I96-F98 HydrophobicContact CD1-CE1 3.94Å; I96-F98 HydrophobicContact CD1-CZ 4.34Å; I96-F98 HydrophobicContact CG1-CD1 4.48Å; I96-F98 HydrophobicContact CG1-CE1 4.21Å; I96-F98 HydrophobicContact CG2-CD1 4.26Å; I96-F98 HydrophobicContact CG2-CD2 3.95Å; I96-F98 HydrophobicContact CG2-CE1 3.83Å; I96-F98 HydrophobicContact CG2-CE2 3.47Å; I96-F98 VanDerWaalsContact CG2-CE2 3.47Å; I96-F98 HydrophobicContact CG2-CG 4.32Å; I96-F98 HydrophobicContact CG2-CZ 3.42Å; I96-F98 VanDerWaalsContact CG2-CZ 3.42Å; I96-C108 PolarHBondContact N-O 3.44Å; I96-C108 PolarHBondContact O-N 3.44Å; I96-C108 VanDerWaalsContact O-O 3.13Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å
97	A	91.3	Very high	88.9	Confident	18 Å²	18	61.5 Å²	61.5	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.3	171.7	0	0	0	0	0	109.2	R73 T74 F106	R73-A97 HydrophobicContact CB-CB 4.34Å; T74-A97 WeakPolarHBondContact CB-O 2.91Å; T74-A97 PolarHBondContact OG1-O 3.15Å; A97-F106 WeakPolarHBondContact CA-O 3.2Å
98	F	93.1	Very high	89.1	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	159.3	176.2	-74.5	-42.9	0	0	0	111.3	L69 H70 I96 C105 F106 C108 V110 F129	L69-F98 HydrophobicContact CB-CB 4.16Å; L69-F98 HydrophobicContact CB-CD1 3.49Å; L69-F98 VanDerWaalsContact CB-CD1 3.49Å; L69-F98 HydrophobicContact CB-CE1 3.98Å; L69-F98 HydrophobicContact CB-CG 3.9Å; L69-F98 HydrophobicContact CD1-CD1 4.36Å; L69-F98 HydrophobicContact CD1-CD2 4.25Å; L69-F98 HydrophobicContact CD1-CE1 4.48Å; L69-F98 HydrophobicContact CD1-CE2 4.38Å; L69-F98 HydrophobicContact CD1-CG 4.24Å; L69-F98 HydrophobicContact CD1-CZ 4.49Å; L69-F98 WeakPolarHBondContact O-CA 3.44Å; H70-F98 AromaticContact ND1-CE1 3.99Å; I96-F98 HydrophobicContact CD1-CE1 3.94Å; I96-F98 HydrophobicContact CD1-CZ 4.34Å; I96-F98 HydrophobicContact CG1-CD1 4.48Å; I96-F98 HydrophobicContact CG1-CE1 4.21Å; I96-F98 HydrophobicContact CG2-CD1 4.26Å; I96-F98 HydrophobicContact CG2-CD2 3.95Å; I96-F98 HydrophobicContact CG2-CE1 3.83Å; I96-F98 HydrophobicContact CG2-CE2 3.47Å; I96-F98 VanDerWaalsContact CG2-CE2 3.47Å; I96-F98 HydrophobicContact CG2-CG 4.32Å; I96-F98 HydrophobicContact CG2-CZ 3.42Å; I96-F98 VanDerWaalsContact CG2-CZ 3.42Å; F98-C105 WeakPolarHBondContact O-CA 3.4Å; F98-F106 HydrophobicContact CB-CD1 4.41Å; F98-F106 HydrophobicContact CB-CE1 3.78Å; F98-F106 HydrophobicContact CB-CE2 4.1Å; F98-F106 HydrophobicContact CB-CZ 3.61Å; F98-F106 HydrophobicContact CD2-CE2 4.42Å; F98-F106 HydrophobicContact CD2-CZ 4.38Å; F98-F106 HydrophobicContact CG-CZ 4.5Å; F98-F106 PolarHBondContact N-O 3.19Å; F98-F106 WeakPolarHBondContact O-CD1 3.48Å; F98-F106 PolarHBondContact O-N 3.3Å; F98-C108 HydrophobicContact CD2-CB 3.82Å; F98-C108 HydrophobicContact CE2-CB 4.33Å; F98-V110 HydrophobicContact CE2-CG2 3.49Å; F98-V110 VanDerWaalsContact CE2-CG2 3.49Å; F98-V110 HydrophobicContact CZ-CG2 3.85Å; F98-F129 AromaticContact CE2-CD1 3.94Å; F98-F129 HydrophobicContact CE2-CD1 3.94Å; F98-F129 AromaticContact CE2-CE1 3.73Å; F98-F129 HydrophobicContact CE2-CE1 3.73Å; F98-F129 HydrophobicContact CZ-CE1 4.29Å
99	Y	91.1	Very high	89.6	Confident	41 Å²	41	53.4 Å²	53.4	16%	0.161	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.4	175.9	-72.9	-102.3	0	0	0	110.4	L69 G71 R73 S104 C105	L69-Y99 PolarHBondContact O-N 3.13Å; G71-Y99 VanDerWaalsContact CA-CE2 3.46Å; R73-Y99 HydrophobicContact CB-CE2 4.29Å; R73-Y99 WeakPolarHBondContact CB-OH 3.49Å; R73-Y99 WeakPolarHBondContact CG-OH 3.32Å; R73-Y99 PolarHBondContact N-OH 3.47Å; R73-Y99 VanDerWaalsContact N-OH 3.1Å; Y99-S104 CarbonylContact C-O 3.45Å; Y99-S104 WeakPolarHBondContact CA-O 3.35Å; Y99-C105 HydrophobicContact CD1-CB 4.12Å; Y99-C105 HydrophobicContact CE1-CB 3.79Å; Y99-C105 HydrophobicContact CE2-CB 4.49Å
100	R	91.9	Very high	90	Very high	55 Å²	55	52.6 Å²	52.6	21%	0.208	27%	0.267	C	S	.	.			trans	-81.2	165.2	167.7	-59.7	-166.6	-173	116.3	-1.5	110.2	L51 C52 D102 G103 S104 F106 E134	L51-R100 VanDerWaalsContact O-CD 3.29Å; L51-R100 WeakPolarHBondContact O-CD 3.21Å; L51-R100 WeakPolarHBondContact O-CG 3.25Å; L51-R100 PolarHBondContact O-NE 2.86Å; L51-R100 VanDerWaalsContact O-NE 3.09Å; C52-R100 CarbonylContact O-C 3.44Å; C52-R100 VanDerWaalsContact O-CA 3.28Å; C52-R100 WeakPolarHBondContact O-CA 3.13Å; R100-D102 VanDerWaalsContact CB-OD1 3.25Å; R100-D102 WeakPolarHBondContact CB-OD1 3.29Å; R100-D102 PolarHBondContact O-N 3.38Å; R100-D102 VanDerWaalsContact O-N 3.17Å; R100-G103 PolarHBondContact O-N 2.83Å; R100-S104 WeakPolarHBondContact CD-OG 3.43Å; R100-S104 WeakPolarHBondContact CG-OG 3.3Å; R100-S104 PolarHBondContact N-O 2.98Å; R100-S104 PolarHBondContact NH1-OG 2.79Å; R100-S104 VanDerWaalsContact NH1-OG 3.12Å; R100-F106 HydrophobicContact CG-CD1 3.65Å; R100-F106 HydrophobicContact CG-CE1 3.56Å; R100-E134 IonicContact CZ-OE1 2.79Å; R100-E134 IonicContact NH1-OE1 2.65Å; R100-E134 PolarHBondContact NH1-OE1 2.97Å; R100-E134 IonicContact NH2-OE1 3.96Å; R100-E134 PolarHBondContact NH2-OE1 2.72Å
101	K	90.5	Very high	90.4	Very high	102 Å²	102	48.8 Å²	48.8	44%	0.443	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.9	176.7	-163.4	176.1	-171.7	176.7	0	114.4	C52 G53 Y54 E58 G103	C52-K101 PolarHBondContact O-N 3Å; G53-K101 WeakPolarHBondContact O-CD 3.12Å; Y54-K101 HydrophobicContact CD1-CB 4.5Å; Y54-K101 HydrophobicContact CD1-CD 3.95Å; Y54-K101 HydrophobicContact CD1-CG 4.24Å; Y54-K101 HydrophobicContact CD2-CB 4.09Å; Y54-K101 HydrophobicContact CE1-CB 4.27Å; Y54-K101 HydrophobicContact CE1-CD 4.13Å; Y54-K101 HydrophobicContact CE1-CG 3.94Å; Y54-K101 HydrophobicContact CE2-CB 3.83Å; Y54-K101 HydrophobicContact CE2-CG 4.41Å; Y54-K101 HydrophobicContact CG-CB 4.41Å; Y54-K101 HydrophobicContact CG-CD 4.3Å; E58-K101 WeakPolarHBondContact OE1-CE 3.46Å; E58-K101 IonicContact OE1-NZ 3.24Å; E58-K101 PolarHBondContact OE1-NZ 3.09Å; E58-K101 IonicContact OE2-NZ 2.66Å; E58-K101 PolarHBondContact OE2-NZ 3.5Å; K101-G103 VanDerWaalsContact C-N 3.31Å
102	D	87.8	Confident	90.5	Very high	120 Å²	120	43.9 Å²	43.9	64%	0.642	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.2	173.9	65.3	7.2	0	0	0	113.8	R100 S104	R100-D102 VanDerWaalsContact CB-OD1 3.25Å; R100-D102 WeakPolarHBondContact CB-OD1 3.29Å; R100-D102 PolarHBondContact O-N 3.38Å; R100-D102 VanDerWaalsContact O-N 3.17Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 2.74Å; D102-S104 PolarHBondContact OD1-OG 3.33Å; D102-S104 PolarHBondContact OD2-OG 2.74Å
103	G	83.2	Confident	90.6	Very high	51 Å²	51	41.3 Å²	41.3	53%	0.526	22%	0.221	S	C	.	.	S	Bend	trans	87.1	-3.5	-176.2	0	0	0	0	0	115	R100 K101	R100-G103 PolarHBondContact O-N 2.83Å; K101-G103 VanDerWaalsContact C-N 3.31Å
104	S	88.5	Confident	90.4	Very high	38 Å²	38	37 Å²	37	27%	0.266	21%	0.205	S	C	.	.			trans	-69.5	139.1	176.3	65.4	0	0	0	0	111.7	Y99 R100 D102	Y99-S104 CarbonylContact C-O 3.45Å; Y99-S104 WeakPolarHBondContact CA-O 3.35Å; R100-S104 WeakPolarHBondContact CD-OG 3.43Å; R100-S104 WeakPolarHBondContact CG-OG 3.3Å; R100-S104 PolarHBondContact N-O 2.98Å; R100-S104 PolarHBondContact NH1-OG 2.79Å; R100-S104 VanDerWaalsContact NH1-OG 3.12Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 2.74Å; D102-S104 PolarHBondContact OD1-OG 3.33Å; D102-S104 PolarHBondContact OD2-OG 2.74Å
105	C	87.6	Confident	90.1	Very high	45 Å²	45	38 Å²	38	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.8	-175.9	-179.7	0	0	0	0	110.2	F98 Y99	F98-C105 WeakPolarHBondContact O-CA 3.4Å; Y99-C105 HydrophobicContact CD1-CB 4.12Å; Y99-C105 HydrophobicContact CE1-CB 3.79Å; Y99-C105 HydrophobicContact CE2-CB 4.49Å
106	F	89.5	Confident	89.6	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.9	179.7	65.2	-79.1	0	0	0	111.6	L51 A97 F98 R100 C108 V131	L51-F106 HydrophobicContact CD1-CD2 4.08Å; L51-F106 HydrophobicContact CD1-CE2 3.73Å; L51-F106 HydrophobicContact CD1-CZ 4.2Å; L51-F106 HydrophobicContact CD2-CE2 4.04Å; L51-F106 HydrophobicContact CD2-CZ 4.46Å; L51-F106 HydrophobicContact CG-CE2 3.83Å; L51-F106 HydrophobicContact CG-CZ 3.98Å; A97-F106 WeakPolarHBondContact CA-O 3.2Å; F98-F106 HydrophobicContact CB-CD1 4.41Å; F98-F106 HydrophobicContact CB-CE1 3.78Å; F98-F106 HydrophobicContact CB-CE2 4.1Å; F98-F106 HydrophobicContact CB-CZ 3.61Å; F98-F106 HydrophobicContact CD2-CE2 4.42Å; F98-F106 HydrophobicContact CD2-CZ 4.38Å; F98-F106 HydrophobicContact CG-CZ 4.5Å; F98-F106 PolarHBondContact N-O 3.19Å; F98-F106 WeakPolarHBondContact O-CD1 3.48Å; F98-F106 PolarHBondContact O-N 3.3Å; R100-F106 HydrophobicContact CG-CD1 3.65Å; R100-F106 HydrophobicContact CG-CE1 3.56Å; F106-C108 HydrophobicContact CD2-CB 4.04Å; F106-C108 HydrophobicContact CE2-CB 3.83Å; F106-V131 HydrophobicContact CD2-CG2 4.45Å
107	L	89.8	Confident	89	Confident	64 Å²	64	37.5 Å²	37.5	34%	0.335	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.5	175.9	-176.5	63.5	0	0	0	109.8	V132	L107-V132 HydrophobicContact CD2-CB 4.1Å; L107-V132 HydrophobicContact CD2-CG1 4.29Å; L107-V132 HydrophobicContact CG-CB 4.16Å; L107-V132 HydrophobicContact CG-CG2 4.47Å; L107-V132 PolarHBondContact O-N 3.31Å
108	C	90.5	Very high	88	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.3	-176.2	-167	0	0	0	0	111.4	I96 F98 F106 E130	I96-C108 PolarHBondContact N-O 3.44Å; I96-C108 PolarHBondContact O-N 3.44Å; I96-C108 VanDerWaalsContact O-O 3.13Å; F98-C108 HydrophobicContact CD2-CB 3.82Å; F98-C108 HydrophobicContact CE2-CB 4.33Å; F106-C108 HydrophobicContact CD2-CB 4.04Å; F106-C108 HydrophobicContact CE2-CB 3.83Å; C108-E130 CarbonylContact C-O 3.27Å; C108-E130 VanDerWaalsContact CA-O 3.3Å; C108-E130 WeakPolarHBondContact CA-O 3.33Å; C108-E130 PolarHBondContact SG-O 2.95Å
109	L	93.3	Very high	87.1	Confident	38 Å²	38	46 Å²	46	20%	0.199	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.7	164.2	-175.8	70.2	0	0	0	107.8	K93 E95 E130 V132	K93-L109 HydrophobicContact CB-CD1 4.17Å; E95-L109 HydrophobicContact CG-CD1 3.65Å; L109-E130 HydrophobicContact CB-CB 4.42Å; L109-E130 PolarHBondContact N-O 3.16Å; L109-E130 PolarHBondContact O-N 2.89Å; L109-V132 HydrophobicContact CB-CG2 3.79Å
110	V	92.7	Very high	86.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.3	172.7	-176.4	0	0	0	0	108.5	I82 K93 V94 I96 F98 V112 L127 F129	I82-V110 HydrophobicContact CD1-CB 4.29Å; I82-V110 HydrophobicContact CD1-CG1 4.45Å; I82-V110 HydrophobicContact CD1-CG2 4.25Å; K93-V110 CarbonylContact C-O 3.53Å; K93-V110 WeakPolarHBondContact CA-O 3.22Å; V94-V110 PolarHBondContact N-O 3.08Å; V94-V110 PolarHBondContact O-N 3.48Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å; F98-V110 HydrophobicContact CE2-CG2 3.49Å; F98-V110 VanDerWaalsContact CE2-CG2 3.49Å; F98-V110 HydrophobicContact CZ-CG2 3.85Å; V110-V112 HydrophobicContact CG1-CG2 3.91Å; V110-L127 HydrophobicContact CG1-CB 4.42Å; V110-L127 HydrophobicContact CG1-CD2 4.13Å; V110-F129 HydrophobicContact CG1-CE1 4.25Å; V110-F129 HydrophobicContact CG2-CD1 3.88Å; V110-F129 HydrophobicContact CG2-CE1 3.83Å
111	D	92.6	Very high	85.8	Confident	16 Å²	16	45.9 Å²	45.9	9%	0.086	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100.9	178.3	-167.8	11.7	0	0	0	108.4	K93 L127 N128	K93-D111 WeakPolarHBondContact CE-OD1 3.32Å; K93-D111 HydrophobicContact CG-CB 4.34Å; K93-D111 VanDerWaalsContact CG-OD1 3.25Å; K93-D111 WeakPolarHBondContact CG-OD1 3.31Å; K93-D111 IonicContact NZ-OD1 2.7Å; K93-D111 PolarHBondContact NZ-OD1 3.42Å; K93-D111 VanDerWaalsContact NZ-OD1 3.15Å; K93-D111 IonicContact NZ-OD2 2.74Å; K93-D111 PolarHBondContact NZ-OD2 2.85Å; D111-L127 WeakPolarHBondContact O-CA 3.41Å; D111-N128 HydrophobicContact CB-CB 4.24Å; D111-N128 PolarHBondContact N-O 3.37Å; D111-N128 PolarHBondContact O-N 2.92Å
112	V	91.3	Very high	85.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.5	-176.8	-175	0	0	0	0	109	I82 A85 L86 E91 R92 V110 F125 L127	I82-V112 HydrophobicContact CG2-CG2 4.45Å; A85-V112 HydrophobicContact CB-CB 4.48Å; A85-V112 HydrophobicContact CB-CG1 4.39Å; L86-V112 HydrophobicContact CD2-CG1 3.94Å; L86-V112 HydrophobicContact CG-CG1 4.49Å; E91-V112 WeakPolarHBondContact CA-O 3.32Å; R92-V112 PolarHBondContact N-O 3.03Å; R92-V112 VanDerWaalsContact N-O 3.14Å; R92-V112 PolarHBondContact O-N 3.4Å; V110-V112 HydrophobicContact CG1-CG2 3.91Å; V112-F125 HydrophobicContact CG1-CD1 4.37Å; V112-L127 HydrophobicContact CG1-CG 4.49Å; V112-L127 HydrophobicContact CG2-CD2 4.28Å; V112-L127 HydrophobicContact CG2-CG 4.28Å
113	V	89.8	Confident	85.2	Confident	35 Å²	35	38 Å²	38	21%	0.212	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110	-177	-174.7	0	0	0	0	110.4	E91 I126	E91-V113 HydrophobicContact CG-CG2 4.43Å; V113-I126 HydrophobicContact CB-CB 4.47Å; V113-I126 PolarHBondContact N-O 3.42Å; V113-I126 PolarHBondContact O-N 3.06Å
114	P	89.3	Confident	85.4	Confident	19 Å²	19	36.4 Å²	36.4	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.7	177.3	30.3	-32.9	0	0	0	112.1	A89 V122 F125	A89-P114 HydrophobicContact CB-CB 4.39Å; A89-P114 WeakPolarHBondContact O-CG 3.35Å; P114-V122 HydrophobicContact CB-CG1 4.21Å; P114-F125 HydrophobicContact CB-CD1 3.99Å; P114-F125 HydrophobicContact CB-CE1 3.87Å
115	V	84.8	Confident	85.5	Confident	23 Å²	23	34.8 Å²	34.8	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.5	177	-174.8	0	0	0	0	109.9	V122 I123 M124 I126 L385	V115-V122 WeakPolarHBondContact O-CA 3.21Å; V115-I123 PolarHBondContact O-N 2.94Å; V115-M124 HydrophobicContact CB-CB 4.2Å; V115-M124 HydrophobicContact CG2-CB 4.41Å; V115-M124 PolarHBondContact N-O 3.09Å; V115-I126 HydrophobicContact CG2-CD1 3.65Å; V115-I126 HydrophobicContact CG2-CG1 3.89Å; V115-L385 HydrophobicContact CG1-CD1 3.72Å
116	K	82.8	Confident	85.7	Confident	100 Å²	100	33.2 Å²	33.2	44%	0.435	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.7	-167.8	-66.2	-177.3	-179.4	-179.1	0	113.8	A89 V122 L385	A89-K116 PolarHBondContact O-NZ 2.86Å; K116-V122 HydrophobicContact CD-CG2 4.34Å; K116-V122 HydrophobicContact CG-CG2 3.89Å; K116-L385 WeakPolarHBondContact O-CD1 3.32Å
117	N	78.1	Confident	85.9	Confident	13 Å²	13	33 Å²	33	7%	0.07	19%	0.189	C	C	.	.			trans	-25.8	144.5	156.7	-69.6	52	0	0	0	116	D119 G120 A121 I123 L385	N117-D119 PolarHBondContact O-N 2.95Å; N117-G120 PolarHBondContact O-N 3.18Å; N117-A121 WeakPolarHBondContact CA-O 3.47Å; N117-A121 PolarHBondContact N-O 3.12Å; N117-I123 HydrophobicContact CB-CD1 4.01Å; N117-I123 HydrophobicContact CB-CG1 4.33Å; N117-I123 WeakPolarHBondContact OD1-CD1 3Å; N117-L385 PolarHBondContact ND2-O 3.14Å; N117-L385 WeakPolarHBondContact OD1-CB 3.32Å; N117-L385 WeakPolarHBondContact OD1-CD1 3.45Å
118	E	70.2	Confident	86	Confident	89 Å²	89	30.4 Å²	30.4	42%	0.416	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-37.9	138.2	-81.5	176.3	-162.2	0	0	110.3	G120 L385 R394	E118-G120 PolarHBondContact O-N 3.49Å; E118-L385 VanDerWaalsContact CG-O 3.26Å; E118-L385 WeakPolarHBondContact CG-O 3.11Å; E118-R394 VanDerWaalsContact CD-NH1 3.29Å; E118-R394 IonicContact OE1-CZ 3.23Å; E118-R394 IonicContact OE1-NH1 3.13Å; E118-R394 PolarHBondContact OE1-NH1 2.73Å; E118-R394 IonicContact OE2-CZ 3.15Å; E118-R394 IonicContact OE2-NH1 2.68Å; E118-R394 PolarHBondContact OE2-NH1 3.1Å; E118-R394 IonicContact OE2-NH2 2.64Å; E118-R394 PolarHBondContact OE2-NH2 3.07Å
119	D	74.4	Confident	86.1	Confident	110 Å²	110	30.7 Å²	30.7	59%	0.588	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	9.2	174.7	-37.4	-83.4	0	0	0	114.1	N117 A121	N117-D119 PolarHBondContact O-N 2.95Å; D119-A121 PolarHBondContact O-N 3.21Å
120	G	73.6	Confident	85.9	Confident	43 Å²	43	34.6 Å²	34.6	44%	0.443	19%	0.194	S	C	.	.	S	Bend	trans	68.7	-15.7	-174.2	0	0	0	0	0	116.4	N117 E118	N117-G120 PolarHBondContact O-N 3.18Å; E118-G120 PolarHBondContact O-N 3.49Å
121	A	80.9	Confident	85.6	Confident	50 Å²	50	37.3 Å²	37.3	41%	0.413	21%	0.21	S	C	.	.			trans	-68.7	130.1	-179	0	0	0	0	0	112.9	N117 D119	N117-A121 WeakPolarHBondContact CA-O 3.47Å; N117-A121 PolarHBondContact N-O 3.12Å; D119-A121 PolarHBondContact O-N 3.21Å
122	V	82.4	Confident	85	Confident	35 Å²	35	39.5 Å²	39.5	21%	0.212	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.6	-176	-175.4	0	0	0	0	110.8	A34 A89 P114 V115 K116 F125	A34-V122 HydrophobicContact CB-CG1 3.88Å; A89-V122 HydrophobicContact CB-CB 4.49Å; A89-V122 HydrophobicContact CB-CG2 3.43Å; A89-V122 VanDerWaalsContact CB-CG2 3.43Å; P114-V122 HydrophobicContact CB-CG1 4.21Å; V115-V122 WeakPolarHBondContact O-CA 3.21Å; K116-V122 HydrophobicContact CD-CG2 4.34Å; K116-V122 HydrophobicContact CG-CG2 3.89Å; V122-F125 HydrophobicContact CG1-CE1 4.16Å; V122-F125 HydrophobicContact CG1-CE2 4.42Å; V122-F125 HydrophobicContact CG1-CZ 3.97Å
123	I	83.7	Confident	83.5	Confident	23 Å²	23	45.6 Å²	45.6	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-38.5	177.8	-55.3	-160.2	0	0	0	112.2	N33 A34 R35 V115 N117	N33-I123 PolarHBondContact OD1-O 2.82Å; A34-I123 WeakPolarHBondContact CB-O 3.38Å; A34-I123 PolarHBondContact N-O 3.38Å; R35-I123 VanDerWaalsContact NH2-CD1 3.27Å; V115-I123 PolarHBondContact O-N 2.94Å; N117-I123 HydrophobicContact CB-CD1 4.01Å; N117-I123 HydrophobicContact CB-CG1 4.33Å; N117-I123 WeakPolarHBondContact OD1-CD1 3Å
124	M	88.4	Confident	81.7	Confident	16 Å²	16	49.8 Å²	49.8	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.6	-178.1	-59.1	-69.1	174.4	0	0	111	L15 I31 A32 N33 I42 V115	L15-M124 HydrophobicContact CD1-CE 4.35Å; L15-M124 HydrophobicContact CD2-CG 4.21Å; I31-M124 HydrophobicContact CG2-CB 4.18Å; I31-M124 HydrophobicContact CG2-CG 4.36Å; I31-M124 HydrophobicContact CG2-SD 4.22Å; A32-M124 CarbonylContact O-C 3.57Å; A32-M124 VanDerWaalsContact O-CA 3.27Å; A32-M124 WeakPolarHBondContact O-CA 3.39Å; N33-M124 HydrophobicContact CB-SD 4.03Å; I42-M124 HydrophobicContact CD1-CE 3.75Å; I42-M124 HydrophobicContact CD1-SD 3.6Å; V115-M124 HydrophobicContact CB-CB 4.2Å; V115-M124 HydrophobicContact CG2-CB 4.41Å; V115-M124 PolarHBondContact N-O 3.09Å
125	F	90.4	Very high	79.3	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.022	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.1	162.1	-62.5	-80.6	0	0	0	109.3	I31 A32 A34 L86 A89 V112 P114 V122 L127	I31-F125 WeakPolarHBondContact CA-O 3.36Å; A32-F125 PolarHBondContact N-O 2.91Å; A32-F125 PolarHBondContact O-N 3.47Å; A34-F125 HydrophobicContact CB-CD2 3.86Å; A34-F125 HydrophobicContact CB-CE2 3.42Å; A34-F125 VanDerWaalsContact CB-CE2 3.42Å; A34-F125 HydrophobicContact CB-CZ 4.22Å; L86-F125 HydrophobicContact CD2-CB 4.01Å; L86-F125 HydrophobicContact CD2-CD1 3.7Å; L86-F125 HydrophobicContact CD2-CD2 3.84Å; L86-F125 HydrophobicContact CD2-CE1 4.09Å; L86-F125 HydrophobicContact CD2-CE2 4.22Å; L86-F125 HydrophobicContact CD2-CG 3.57Å; L86-F125 HydrophobicContact CD2-CZ 4.35Å; L86-F125 WeakPolarHBondContact O-CZ 3.45Å; A89-F125 HydrophobicContact CB-CE1 4.49Å; V112-F125 HydrophobicContact CG1-CD1 4.37Å; P114-F125 HydrophobicContact CB-CD1 3.99Å; P114-F125 HydrophobicContact CB-CE1 3.87Å; V122-F125 HydrophobicContact CG1-CE1 4.16Å; V122-F125 HydrophobicContact CG1-CE2 4.42Å; V122-F125 HydrophobicContact CG1-CZ 3.97Å; F125-L127 HydrophobicContact CB-CD1 3.85Å
126	I	91.6	Very high	77.3	Confident	11 Å²	11	63.4 Å²	63.4	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.6	165.7	-58.3	168	0	0	0	106.1	I18 F22 F29 V113 V115	I18-I126 HydrophobicContact CD1-CD1 4.36Å; I18-I126 HydrophobicContact CG2-CD1 3.81Å; F22-I126 HydrophobicContact CE1-CG2 4.09Å; F22-I126 HydrophobicContact CZ-CG2 4.43Å; F29-I126 HydrophobicContact CB-CG2 4.49Å; F29-I126 HydrophobicContact CD2-CG2 4.37Å; V113-I126 HydrophobicContact CB-CB 4.47Å; V113-I126 PolarHBondContact N-O 3.42Å; V113-I126 PolarHBondContact O-N 3.06Å; V115-I126 HydrophobicContact CG2-CD1 3.65Å; V115-I126 HydrophobicContact CG2-CG1 3.89Å
127	L	92.5	Very high	74.9	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.9	171.4	-65.7	80.2	0	0	0	107.6	F29 I30 C64 L86 V110 D111 V112 F125 F129	F29-L127 WeakPolarHBondContact CA-O 3.41Å; F29-L127 WeakPolarHBondContact CB-O 3.42Å; I30-L127 HydrophobicContact CD1-CB 4.45Å; I30-L127 HydrophobicContact CG1-CB 4.04Å; I30-L127 HydrophobicContact CG1-CD1 4.38Å; I30-L127 PolarHBondContact N-O 2.81Å; I30-L127 PolarHBondContact O-N 3.25Å; C64-L127 HydrophobicContact CB-CD1 4.22Å; C64-L127 WeakPolarHBondContact O-CD2 3.42Å; L86-L127 HydrophobicContact CD2-CD1 4.46Å; V110-L127 HydrophobicContact CG1-CB 4.42Å; V110-L127 HydrophobicContact CG1-CD2 4.13Å; D111-L127 WeakPolarHBondContact O-CA 3.41Å; V112-L127 HydrophobicContact CG1-CG 4.49Å; V112-L127 HydrophobicContact CG2-CD2 4.28Å; V112-L127 HydrophobicContact CG2-CG 4.28Å; F125-L127 HydrophobicContact CB-CD1 3.85Å; L127-F129 HydrophobicContact CB-CE2 3.79Å; L127-F129 HydrophobicContact CB-CZ 3.95Å; L127-F129 HydrophobicContact CD2-CZ 4.47Å; L127-F129 WeakPolarHBondContact O-CD2 3.35Å; L127-F129 VanDerWaalsContact O-CE2 3.29Å; L127-F129 WeakPolarHBondContact O-CE2 3.46Å
128	N	92.6	Very high	73.3	Confident	9 Å²	9	74.2 Å²	74.2	5%	0.048	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.6	176.9	174.9	74.4	0	0	0	109.9	K28 F29 D111	K28-N128 PolarHBondContact O-OD1 2.88Å; F29-N128 HydrophobicContact CB-CB 4.39Å; D111-N128 HydrophobicContact CB-CB 4.24Å; D111-N128 PolarHBondContact N-O 3.37Å; D111-N128 PolarHBondContact O-N 2.92Å
129	F	91.9	Very high	71.3	Confident	7 Å²	7	73.5 Å²	73.5	3%	0.031	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	108.2	-168.9	-63.9	-93.8	0	0	0	110.1	K28 I30 F48 L51 F98 V110 L127	K28-F129 HydrophobicContact CB-CB 4.49Å; K28-F129 PolarHBondContact O-N 3.06Å; I30-F129 HydrophobicContact CD1-CE2 4Å; I30-F129 HydrophobicContact CD1-CZ 4Å; I30-F129 HydrophobicContact CG1-CE2 3.99Å; I30-F129 HydrophobicContact CG1-CZ 4.46Å; I30-F129 HydrophobicContact CG2-CE2 4.2Å; F48-F129 AromaticContact CD2-CD2 3.57Å; F48-F129 HydrophobicContact CD2-CD2 3.57Å; F48-F129 AromaticContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CG 4.06Å; F48-F129 HydrophobicContact CD2-CZ 4.41Å; F48-F129 HydrophobicContact CE2-CD1 4.17Å; F48-F129 AromaticContact CE2-CD2 3.66Å; F48-F129 HydrophobicContact CE2-CD2 3.66Å; F48-F129 HydrophobicContact CE2-CE1 4.01Å; F48-F129 AromaticContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CE2 3.47Å; F48-F129 VanDerWaalsContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CG 4.01Å; F48-F129 AromaticContact CE2-CZ 3.67Å; F48-F129 HydrophobicContact CE2-CZ 3.67Å; F48-F129 HydrophobicContact CZ-CE2 4.46Å; F48-F129 HydrophobicContact CZ-CZ 4.45Å; L51-F129 HydrophobicContact CD2-CB 3.87Å; F98-F129 AromaticContact CE2-CD1 3.94Å; F98-F129 HydrophobicContact CE2-CD1 3.94Å; F98-F129 AromaticContact CE2-CE1 3.73Å; F98-F129 HydrophobicContact CE2-CE1 3.73Å; F98-F129 HydrophobicContact CZ-CE1 4.29Å; V110-F129 HydrophobicContact CG1-CE1 4.25Å; V110-F129 HydrophobicContact CG2-CD1 3.88Å; V110-F129 HydrophobicContact CG2-CE1 3.83Å; L127-F129 HydrophobicContact CB-CE2 3.79Å; L127-F129 HydrophobicContact CB-CZ 3.95Å; L127-F129 HydrophobicContact CD2-CZ 4.47Å; L127-F129 WeakPolarHBondContact O-CD2 3.35Å; L127-F129 VanDerWaalsContact O-CE2 3.29Å; L127-F129 WeakPolarHBondContact O-CE2 3.46Å
130	E	90.3	Very high	69.1	Low	120 Å²	120	73.6 Å²	73.6	56%	0.561	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.4	178.2	-168.6	163.1	-171.6	0	0	109.9	C108 L109	C108-E130 CarbonylContact C-O 3.27Å; C108-E130 VanDerWaalsContact CA-O 3.3Å; C108-E130 WeakPolarHBondContact CA-O 3.33Å; C108-E130 PolarHBondContact SG-O 2.95Å; L109-E130 HydrophobicContact CB-CB 4.42Å; L109-E130 PolarHBondContact N-O 3.16Å; L109-E130 PolarHBondContact O-N 2.89Å
131	V	87.3	Confident	67.5	Low	57 Å²	57	78 Å²	78	35%	0.345	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.2	-177.7	-178.7	0	0	0	0	108.6	L51 F106	L51-V131 HydrophobicContact CD1-CG2 3.48Å; L51-V131 VanDerWaalsContact CD1-CG2 3.48Å; L51-V131 HydrophobicContact CD2-CG2 4.45Å; F106-V131 HydrophobicContact CD2-CG2 4.45Å
132	V	78.4	Confident	65.1	Low	63 Å²	63	79.9 Å²	79.9	38%	0.382	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-46.6	-168.7	-177.8	0	0	0	0	111.6	L107 L109	L107-V132 HydrophobicContact CD2-CB 4.1Å; L107-V132 HydrophobicContact CD2-CG1 4.29Å; L107-V132 HydrophobicContact CG-CB 4.16Å; L107-V132 HydrophobicContact CG-CG2 4.47Å; L107-V132 PolarHBondContact O-N 3.31Å; L109-V132 HydrophobicContact CB-CG2 3.79Å
133	M	61.1	Low	62.8	Low	128 Å²	128	86.1 Å²	86.1	63%	0.631	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161	150	159.4	-77.7	-149.7	-52.2	0	0	109.9
134	E	52	Low	60.2	Low	122 Å²	122	90.9 Å²	90.9	57%	0.57	51%	0.511	S	S	*	.			trans	-87.3	111.7	159.5	-148.4	155.8	-133	0	0	106.7	R100	R100-E134 IonicContact CZ-OE1 2.79Å; R100-E134 IonicContact NH1-OE1 2.65Å; R100-E134 PolarHBondContact NH1-OE1 2.97Å; R100-E134 IonicContact NH2-OE1 3.96Å; R100-E134 PolarHBondContact NH2-OE1 2.72Å
135	K	38.3	Very low	57.6	Low	182 Å²	182	95.1 Å²	95.1	79%	0.791	54%	0.539	S	S	*	.			trans	-112	95.9	-174.3	-172.9	178.9	-179.3	178	0	110.8	M137	K135-M137 PolarHBondContact O-N 3.33Å
136	D	41.8	Very low	54.8	Low	147 Å²	147	101.5 Å²	101.5	79%	0.786	57%	0.573	S	S	*	*			trans	-59.3	117.7	170.8	-68.6	-42.4	0	0	0	111.5
137	M	33.8	Very low	52.1	Low	190 Å²	190	109.4 Å²	109.4	94%	0.936	61%	0.609	S	S	*	*			trans	-173.2	159.4	133.4	-106	179.8	172.8	0	0	112.8	K135	K135-M137 PolarHBondContact O-N 3.33Å
138	V	42.9	Very low	49.1	Very low	150 Å²	150	121.3 Å²	121.3	91%	0.909	65%	0.654	S	S	*	*			trans	-89	156.5	-162.4	174	0	0	0	0	113.2
139	G	29.4	Very low	45.9	Very low	74 Å²	74	124 Å²	124	76%	0.763	68%	0.683	S	S	*	*			trans	-175.7	90.2	163.5	0	0	0	0	0	115.6
140	S	27.8	Very low	44	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	72%	0.719	S	S	*	*			trans	-133.6	139.7	161.7	-70.3	0	0	0	0	109.6
141	P	39.6	Very low	41.8	Very low	137 Å²	137	128.8 Å²	128.8	89%	0.89	73%	0.726	S	S	*	*			trans	-76.9	168.3	178.2	32.8	-35.2	0	0	0	112.7
142	A	31.6	Very low	39.4	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	74%	0.742	S	S	*	*			trans	-119.1	-168.7	-166.5	0	0	0	0	0	114
143	H	33.3	Very low	37	Very low	167 Å²	167	133.1 Å²	133.1	77%	0.773	76%	0.757	S	S	*	*			trans	81.7	140.8	-174.5	-72.9	-105.1	0	0	0	115.5
144	D	29.5	Very low	35.7	Very low	122 Å²	122	137.6 Å²	137.6	65%	0.652	77%	0.767	S	S	*	*			cis	-148.5	163.7	7.7	-132.4	-31.8	0	0	0	116.4
145	T	32.9	Very low	34.7	Very low	106 Å²	106	139 Å²	139	65%	0.65	78%	0.777	S	S	*	*			trans	22.4	144.2	166.9	71.6	0	0	0	0	121.2
146	N	33	Very low	34.1	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	77%	0.773	S	S	*	*				-167.2	177.9	53.8	-129.2	-54.3	0	0	0	114.6
147	H	33.9	Very low	34.3	Very low	177 Å²	177	133.6 Å²	133.6	82%	0.819	78%	0.776	S	S	*	*			trans	-83	150.1	-166.4	-55	-90.8	0	0	0	117.3
148	R	28.8	Very low	34	Very low	252 Å²	252	128.1 Å²	128.1	95%	0.951	77%	0.769	S	S	*	*				169.7	144.9	110.2	-156.7	166.6	-163	157.4	3.4	112.2
149	G	26.1	Very low	33.2	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	77%	0.769	S	S	*	*			trans	-146.9	-151.6	176.3	0	0	0	0	0	111.3
150	P	51.8	Low	33.2	Very low	119 Å²	119	133 Å²	133	77%	0.773	77%	0.765	S	S	*	*			cis	-101.5	-132.3	-6.4	45.5	-35.2	0	0	0	109.4
151	P	45.6	Very low	33.4	Very low	109 Å²	109	137.3 Å²	137.3	71%	0.708	77%	0.77	S	S	*	*			cis	-92.3	-172.5	-4.9	37.8	-25.9	0	0	0	111.5
152	T	35.1	Very low	32.9	Very low	114 Å²	114	136.9 Å²	136.9	70%	0.699	77%	0.765	S	S	*	*			cis	76.1	146.9	16.2	75.3	0	0	0	0	116.5
153	S	29.4	Very low	32.8	Very low	97 Å²	97	142.2 Å²	142.2	68%	0.678	77%	0.772	S	S	*	*			cis	-143.4	138.6	3.3	-24.9	0	0	0	0	109.3
154	W	32.5	Very low	32.6	Very low	222 Å²	222	146 Å²	146	84%	0.841	78%	0.779	S	S	*	*				63.3	137.8	90.2	-68.9	46	0	0	0	114.2
155	L	31.9	Very low	32.6	Very low	151 Å²	151	148.2 Å²	148.2	79%	0.791	79%	0.79	S	S	*	*			cis	-155.2	-176.9	26.6	-127.2	164	0	0	0	113.9
156	A	26.3	Very low	32.4	Very low	85 Å²	85	152.6 Å²	152.6	70%	0.702	80%	0.801	S	S	*	*			trans	-101.9	-151.8	178.2	0	0	0	0	0	111.5
157	P	44.1	Very low	32.3	Very low	131 Å²	131	154.1 Å²	154.1	85%	0.851	81%	0.808	S	S	*	*			cis	-137.2	-174.6	13.3	43.3	-23.2	0	0	0	116.8
158	G	27.7	Very low	32.8	Very low	76 Å²	76	151.1 Å²	151.1	78%	0.784	80%	0.804	S	S	*	*			trans	-165.8	7.7	-175.2	0	0	0	0	0	125.3
159	R	27.5	Very low	32.7	Very low	244 Å²	244	144.1 Å²	144.1	92%	0.921	80%	0.8	S	S	*	*			trans	46.7	100.7	154.7	-160.8	179.5	-162.9	-178.4	5.9	123.2
160	A	28.1	Very low	32.9	Very low	82 Å²	82	149.2 Å²	149.2	68%	0.678	81%	0.811	S	S	*	*			trans	73.5	136.3	130.2	0	0	0	0	0	125.8
161	K	31.9	Very low	31.9	Very low	201 Å²	201	151.8 Å²	151.8	87%	0.874	82%	0.817	S	S	*	*			trans	65.1	151.3	155.4	-63.5	174.6	-178.1	-177.5	0	116.6
162	T	30.8	Very low	31.2	Very low	129 Å²	129	150.8 Å²	150.8	79%	0.791	82%	0.819	S	S	*	*			cis	-153.6	177.7	17.8	-18.1	0	0	0	0	111.9
163	F	28.1	Very low	30.9	Very low	199 Å²	199	153.9 Å²	153.9	87%	0.873	83%	0.83	S	S	*	*			trans	-54.5	150.7	171.2	-74.7	-106.4	0	0	0	115.2
164	R	30.3	Very low	30.8	Very low	246 Å²	246	155.7 Å²	155.7	93%	0.928	84%	0.837	S	S	*	*				-166.1	160.8	126.6	-111	172.5	-173.3	-166	1.1	114.5
165	L	29.6	Very low	30.7	Very low	169 Å²	169	150.1 Å²	150.1	89%	0.885	84%	0.838	S	S	*	*			trans	-68.4	160	179.3	-79.5	63.8	0	0	0	112.5
166	K	27.3	Very low	30.4	Very low	199 Å²	199	154.8 Å²	154.8	87%	0.865	85%	0.846	S	S	*	*			trans	-118.1	126.6	161	-75.4	-176	175.2	-179.4	0	110.4
167	L	31	Very low	30.5	Very low	170 Å²	170	159 Å²	159	89%	0.89	85%	0.85	S	S	*	*			trans	-156.3	175.8	150.9	-130.8	77.2	0	0	0	107.1
168	P	44.7	Very low	29.8	Very low	115 Å²	115	158.3 Å²	158.3	75%	0.747	85%	0.849	S	S	*	*				-123.7	168.6	-115.6	39.1	-22.8	0	0	0	114.4
169	A	27.1	Very low	29.7	Very low	104 Å²	104	159.2 Å²	159.2	86%	0.86	84%	0.843	S	S	*	*			trans	-160.6	155.8	152.8	0	0	0	0	0	113.4
170	L	30.1	Very low	29.8	Very low	172 Å²	172	154 Å²	154	90%	0.901	84%	0.839	S	S	*	*			trans	-58	160.6	170	-65.3	148.8	0	0	0	113.5
171	L	31.4	Very low	29.7	Very low	172 Å²	172	160.9 Å²	160.9	90%	0.901	85%	0.847	S	S	*	*			trans	-140.3	144.4	149.4	-110.9	174.8	0	0	0	110.5
172	A	30	Very low	29.5	Very low	89 Å²	89	156.9 Å²	156.9	74%	0.736	84%	0.844	S	S	*	*			trans	-127.8	151.2	167.5	0	0	0	0	0	108.1
173	L	29.9	Very low	29.3	Very low	178 Å²	178	154.2 Å²	154.2	93%	0.932	84%	0.842	S	S	*	*			trans	-100.3	145.1	-173.5	-76.1	164.8	0	0	0	112.3
174	T	26.8	Very low	29.1	Very low	135 Å²	135	148.7 Å²	148.7	83%	0.828	84%	0.842	S	S	*	*			trans	-120.9	137.4	168.3	52.4	0	0	0	0	109.6
175	A	30.2	Very low	28.9	Very low	105 Å²	105	142 Å²	142	87%	0.868	84%	0.839	S	S	*	*			trans	-78.3	165.8	174.1	0	0	0	0	0	112.4
176	R	25.4	Very low	28.7	Very low	250 Å²	250	138 Å²	138	94%	0.943	84%	0.839	S	S	*	*			trans	-151.3	149.9	168.7	-170.4	170.4	179.2	169.1	0.8	110.1
177	E	29.7	Very low	28.5	Very low	172 Å²	172	132.4 Å²	132.4	80%	0.804	84%	0.837	S	S	*	*			trans	-113.5	170.2	-164.1	-54.8	173.8	98.7	0	0	115.2
178	S	27.6	Very low	28.2	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	84%	0.841	S	S	*	*			trans	76.9	158.1	149.2	85.9	0	0	0	0	117.3
179	S	26.5	Very low	27.2	Very low	95 Å²	95	128.1 Å²	128.1	66%	0.664	84%	0.844	S	S	*	*			cis	-161.8	156.5	8.7	64.6	0	0	0	0	113.2
180	V	29.4	Very low	27.1	Very low	135 Å²	135	127.9 Å²	127.9	82%	0.818	84%	0.842	S	S	*	*			trans	56.5	141	132.8	166.7	0	0	0	0	120.2
181	R	26.6	Very low	27.7	Very low	226 Å²	226	125.7 Å²	125.7	85%	0.853	84%	0.838	S	S	*	*			cis	-176.7	164.3	-9.2	165.7	177.1	162.6	135	-3.3	110.5
182	S	28	Very low	27.4	Very low	117 Å²	117	121.1 Å²	121.1	82%	0.818	83%	0.832	S	S	*	*			trans	97.6	139	156.1	-146.9	0	0	0	0	117.9
183	G	25.5	Very low	27.3	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	83%	0.833	S	S	*	*			cis	166.7	143.8	-12.2	0	0	0	0	0	116
184	G	23.8	Very low	27	Very low	83 Å²	83	118.8 Å²	118.8	86%	0.856	83%	0.825	S	S	*	*			trans	91.9	160.4	171.8	0	0	0	0	0	116.1
185	A	25.8	Very low	27	Very low	106 Å²	106	118 Å²	118	88%	0.876	82%	0.819	S	S	*	*			cis	-166.7	151.1	-19.3	0	0	0	0	0	110.9
186	G	25.1	Very low	26.9	Very low	85 Å²	85	118.6 Å²	118.6	88%	0.876	81%	0.812	S	S	*	*			trans	80.3	162.1	178.3	0	0	0	0	0	114.6
187	G	23.9	Very low	26.7	Very low	81 Å²	81	113.1 Å²	113.1	84%	0.835	80%	0.802	S	S	*	*			cis	-169.3	165.5	-3.4	0	0	0	0	0	110.4
188	A	24.8	Very low	26.6	Very low	117 Å²	117	110.4 Å²	110.4	97%	0.967	80%	0.797	S	S	*	*			trans	-83.9	147.2	-174.8	0	0	0	0	0	113.6
189	G	23.1	Very low	26.4	Very low	78 Å²	78	110.9 Å²	110.9	80%	0.804	79%	0.79	S	S	*	*			trans	176.4	133.1	172.2	0	0	0	0	0	114
190	A	25.1	Very low	26.4	Very low	99 Å²	99	114.5 Å²	114.5	82%	0.818	80%	0.801	S	S	*	*			trans	-98	-166.9	164.4	0	0	0	0	0	108.3
191	P	42.7	Very low	26.2	Very low	126 Å²	126	113.7 Å²	113.7	82%	0.818	80%	0.797	S	S	*	*			cis	-142.4	-171.1	0.8	44.6	-26.1	0	0	0	116.1
192	G	25.4	Very low	27	Very low	75 Å²	75	108.6 Å²	108.6	77%	0.773	79%	0.793	S	S	*	*			trans	86.2	156.4	151.9	0	0	0	0	0	116.8
193	A	27.2	Very low	26.8	Very low	92 Å²	92	108.1 Å²	108.1	76%	0.76	80%	0.796	S	S	*	*			cis	-157.4	172.9	-13.3	0	0	0	0	0	106.6
194	V	25.5	Very low	27	Very low	127 Å²	127	109 Å²	109	77%	0.77	80%	0.796	S	S	*	*			cis	-153.8	138	23.9	168.9	0	0	0	0	105.3
195	V	25.6	Very low	27.7	Very low	117 Å²	117	110.8 Å²	110.8	71%	0.709	79%	0.792	S	S	*	*			cis	89.8	141.2	25.5	-172.4	0	0	0	0	114
196	V	27.2	Very low	27.7	Very low	118 Å²	118	111.6 Å²	111.6	72%	0.715	79%	0.792	S	S	*	*			trans	77.6	109.4	-176.9	-165.1	0	0	0	0	114.1
197	D	23.1	Very low	27.7	Very low	135 Å²	135	112.6 Å²	112.6	72%	0.722	79%	0.786	S	S	*	*			cis	86.6	149.9	37.4	-55.7	-46.3	0	0	0	112.9
198	V	26.5	Very low	27.8	Very low	116 Å²	116	117.1 Å²	117.1	70%	0.703	79%	0.785	S	S	*	*			cis	-157.3	171.6	-8.8	116.7	0	0	0	0	111
199	D	24.4	Very low	27.7	Very low	127 Å²	127	115.3 Å²	115.3	68%	0.679	77%	0.765	S	S	*	*			trans	-35	163.4	173.7	-46.7	-56.6	0	0	0	120.2
200	L	25.8	Very low	27.8	Very low	171 Å²	171	119.5 Å²	119.5	90%	0.895	77%	0.768	S	S	*	*				-150.6	143.1	114.9	-133.7	73.3	0	0	0	113.2
201	T	25.8	Very low	27.8	Very low	119 Å²	119	118.3 Å²	118.3	73%	0.73	76%	0.759	S	S	*	*			trans	-102.2	-171.6	176.6	55.6	0	0	0	0	109.6
202	P	42.4	Very low	26.9	Very low	119 Å²	119	119.8 Å²	119.8	77%	0.773	76%	0.759	S	S	*	*			cis	-140.7	172.4	2.8	43.7	-26.1	0	0	0	117.4
203	A	23.5	Very low	26.9	Very low	106 Å²	106	123.2 Å²	123.2	88%	0.876	76%	0.759	S	S	*	*			trans	-176.5	150.6	133.2	0	0	0	0	0	111.3
204	A	29.7	Very low	26.7	Very low	93 Å²	93	126.6 Å²	126.6	77%	0.769	76%	0.759	S	S	*	*			trans	-123.9	-169.1	-170.3	0	0	0	0	0	111.2
205	P	39.4	Very low	26.7	Very low	119 Å²	119	125.8 Å²	125.8	77%	0.773	75%	0.754	S	S	*	*			cis	-134.2	173.8	-42.7	31	-13.3	0	0	0	113.8
206	S	24.6	Very low	26.5	Very low	124 Å²	124	126.1 Å²	126.1	87%	0.867	76%	0.757	S	S	*	*				-163.2	141.6	127.2	-0.2	0	0	0	0	112.2
207	S	26.5	Very low	26.4	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	76%	0.758	S	S	*	*			trans	-82.5	159.4	178.9	54.8	0	0	0	0	111.7
208	E	25.2	Very low	26.4	Very low	176 Å²	176	126.8 Å²	126.8	82%	0.822	77%	0.765	S	S	*	*				55.7	144.8	56.1	-83.9	-162	-160.5	0	0	113.8
209	S	23.8	Very low	26.2	Very low	79 Å²	79	127.5 Å²	127.5	55%	0.552	77%	0.765	S	S	*	*			cis	-171.5	170.7	-11.2	53.2	0	0	0	0	110.8
210	L	24.7	Very low	26.3	Very low	166 Å²	166	127.5 Å²	127.5	87%	0.869	77%	0.765	S	S	*	*			trans	59.2	-170.6	157.8	-64.9	163.7	0	0	0	117.1
211	A	24.1	Very low	26.3	Very low	74 Å²	74	127.4 Å²	127.4	61%	0.612	76%	0.76	S	S	*	*				-158.9	165.8	-68.9	0	0	0	0	0	110.9
212	L	25.2	Very low	26.3	Very low	157 Å²	157	127.8 Å²	127.8	82%	0.822	76%	0.762	S	S	*	*			trans	64.2	174.3	173.7	-93.1	65.4	0	0	0	114.5
213	D	24	Very low	25.5	Very low	147 Å²	147	126.8 Å²	126.8	79%	0.786	76%	0.764	S	S	*	*			cis	-146.4	-170.2	16	-144.2	-21.1	0	0	0	114.5
214	E	23.8	Very low	25.6	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	76%	0.759	S	S	*	*			trans	-109.1	166.1	-166.7	-151.3	-170.3	149.8	0	0	115.7
215	V	24.8	Very low	25.4	Very low	109 Å²	109	129.4 Å²	129.4	66%	0.661	77%	0.767	S	S	*	*			trans	66.5	144.4	157.6	-103.3	0	0	0	0	125.9
216	T	22.7	Very low	24.9	Very low	124 Å²	124	126.9 Å²	126.9	76%	0.761	76%	0.762	S	S	*	*			trans	75.9	102.2	147.5	41.2	0	0	0	0	124.5
217	A	24.1	Very low	25.9	Very low	90 Å²	90	127.3 Å²	127.3	74%	0.744	76%	0.762	S	S	*	*				50.8	124.6	115.5	0	0	0	0	0	123.8
218	M	22.6	Very low	26	Very low	177 Å²	177	127.2 Å²	127.2	87%	0.872	77%	0.767	S	S	*	*				-162.3	164.4	120.2	-153.7	62.3	75.3	0	0	111.1
219	D	22.2	Very low	26.2	Very low	131 Å²	131	127.2 Å²	127.2	70%	0.701	77%	0.767	S	S	*	*			trans	-91.3	174.4	-168.7	-56.4	-79.5	0	0	0	117.9
220	N	26.8	Very low	26.4	Very low	127 Å²	127	129.4 Å²	129.4	68%	0.679	77%	0.769	S	S	*	*			trans	113.4	114.9	137.6	-68.3	-44.4	0	0	0	121.5
221	H	26	Very low	26.6	Very low	170 Å²	170	129.7 Å²	129.7	79%	0.787	76%	0.759	S	S	*	*			trans	63.8	154.5	130	-65.5	-42.3	0	0	0	120.6
222	V	26.1	Very low	26.9	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	76%	0.764	S	S	*	*			cis	-157.4	158.2	3.4	99.7	0	0	0	0	113.2
223	A	25.6	Very low	27.1	Very low	98 Å²	98	132.1 Å²	132.1	81%	0.81	76%	0.76	S	S	*	*			trans	59.1	153.7	164.4	0	0	0	0	0	119.3
224	G	25.3	Very low	27.4	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	76%	0.763	S	S	*	*			cis	-180	-160	1.4	0	0	0	0	0	109.1
225	L	26.3	Very low	27.7	Very low	179 Å²	179	131.5 Å²	131.5	94%	0.937	77%	0.766	S	S	*	*			cis	-171.2	133.9	-11.4	-148.6	179.2	0	0	0	108.5
226	G	27.9	Very low	27.7	Very low	66 Å²	66	129.4 Å²	129.4	68%	0.68	77%	0.766	S	S	*	*			trans	158.4	154.7	164.1	0	0	0	0	0	117.9
227	P	47.1	Very low	28.8	Very low	132 Å²	132	130.2 Å²	130.2	86%	0.857	77%	0.774	S	S	*	*			trans	-137	175.5	-158.4	43.1	-25.5	0	0	0	118.3
228	A	27	Very low	28.9	Very low	104 Å²	104	129.8 Å²	129.8	86%	0.86	78%	0.778	S	S	*	*			trans	-174.6	160	144.5	0	0	0	0	0	115.2
229	E	29.3	Very low	29.1	Very low	176 Å²	176	127 Å²	127	82%	0.822	78%	0.775	S	S	*	*			trans	-73.8	162.5	-178	-70.9	159.5	117.5	0	0	114.8
230	E	28.9	Very low	30.5	Very low	126 Å²	126	126.1 Å²	126.1	59%	0.589	78%	0.777	S	S	*	*			cis	103.7	116.9	31.8	-152.9	-111.4	146	0	0	113.7
231	R	29.3	Very low	31.1	Very low	172 Å²	172	126.2 Å²	126.2	65%	0.649	79%	0.785	S	S	*	*				161.5	123.8	128.1	-86.5	172.9	-176.2	-172.8	4.8	119.4
232	R	30.1	Very low	31.3	Very low	191 Å²	191	129.4 Å²	129.4	72%	0.721	79%	0.79	S	S	*	*				69.7	122.2	129.3	-65.1	174.3	-174.6	-180	-0.5	125.6
233	A	29.3	Very low	31.4	Very low	90 Å²	90	129 Å²	129	74%	0.744	79%	0.793	S	S	*	*				74.2	152.7	123.2	0	0	0	0	0	122
234	L	31.1	Very low	31.6	Very low	161 Å²	161	128.8 Å²	128.8	84%	0.843	79%	0.791	S	S	*	*			cis	-168.1	159.7	-14.3	-110.6	173.6	0	0	0	112.8
235	V	29.1	Very low	32.7	Very low	137 Å²	137	131.6 Å²	131.6	83%	0.83	80%	0.795	S	S	*	*			trans	77	145.1	158.1	174.9	0	0	0	0	121.5
236	G	25.5	Very low	32.7	Very low	64 Å²	64	126.7 Å²	126.7	66%	0.66	79%	0.789	S	S	*	*			trans	-112.7	-137.9	176.5	0	0	0	0	0	113.6
237	P	44.7	Very low	32.7	Very low	142 Å²	142	132.3 Å²	132.3	92%	0.922	80%	0.797	S	S	*	*			cis	-136.9	-171.8	0	44	-25.9	0	0	0	115.9
238	G	26.3	Very low	31.8	Very low	80 Å²	80	133.6 Å²	133.6	83%	0.825	80%	0.796	S	S	*	*			trans	164.6	155.3	165.9	0	0	0	0	0	118.4
239	S	27.8	Very low	32.8	Very low	118 Å²	118	134.2 Å²	134.2	83%	0.825	79%	0.791	S	S	*	*			trans	-161.6	-174.8	179.5	70.8	0	0	0	0	111.3
240	P	50.3	Low	32.8	Very low	113 Å²	113	131 Å²	131	73%	0.734	79%	0.788	S	S	*	*			cis	-125.4	-160.4	-27.8	40.3	-22.4	0	0	0	111.8
241	P	41.1	Very low	33.8	Very low	130 Å²	130	129.8 Å²	129.8	84%	0.844	79%	0.791	S	S	*	*				-153	-176.9	121.1	38.6	-20.4	0	0	0	116.6
242	R	28.6	Very low	33.9	Very low	237 Å²	237	133 Å²	133	89%	0.894	80%	0.803	S	S	*	*			trans	-156.1	161.2	-177.2	-140.2	-178	-170.5	-167.2	3.3	114.3
243	S	28.5	Very low	33.8	Very low	118 Å²	118	127.4 Å²	127.4	83%	0.825	80%	0.798	S	S	*	*			trans	80.3	157.9	159.4	11.7	0	0	0	0	122.6
244	A	30.8	Very low	33.7	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	81%	0.805	S	S	*	*			trans	-131.2	-157.7	178.9	0	0	0	0	0	109.1
245	P	48.7	Very low	33.5	Very low	133 Å²	133	129.1 Å²	129.1	86%	0.864	80%	0.797	S	S	*	*			cis	-138.2	-166.6	-3.9	44	-23.8	0	0	0	115.9
246	G	26.4	Very low	33.5	Very low	77 Å²	77	131 Å²	131	79%	0.794	80%	0.802	S	S	*	*			trans	172.5	159	169.2	0	0	0	0	0	117.3
247	Q	27.5	Very low	33.7	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	81%	0.807	S	S	*	*			trans	-131	148.4	-167.3	-61.7	175.3	-24.3	0	0	116.6
248	L	28.5	Very low	33.5	Very low	158 Å²	158	133 Å²	133	83%	0.827	79%	0.794	S	S	*	*			trans	46.6	168	140.3	-76.5	158	0	0	0	122.7
249	P	46.9	Very low	33.6	Very low	118 Å²	118	136.2 Å²	136.2	77%	0.766	79%	0.793	S	S	*	*			cis	-132.7	-152.3	-13.1	37.6	-14.6	0	0	0	116.6
250	S	30.1	Very low	33.6	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	79%	0.789	S	S	*	*			trans	-86.8	-159.3	-164	62.4	0	0	0	0	116.7
251	P	49.9	Very low	32.5	Very low	100 Å²	100	135.8 Å²	135.8	65%	0.649	80%	0.798	S	S	*	*			cis	-155.8	-171.5	20.8	49.3	-27	0	0	0	122.2
252	R	30.3	Very low	31.9	Very low	238 Å²	238	133.6 Å²	133.6	90%	0.898	80%	0.799	S	S	*	*			trans	71.5	160.6	154	-73.8	173.4	-178.6	164.2	0.3	121.4
253	A	28.1	Very low	31.7	Very low	75 Å²	75	127.9 Å²	127.9	62%	0.62	80%	0.795	S	S	*	*			cis	-175.1	177.1	-27.8	0	0	0	0	0	113.6
254	H	28.5	Very low	31.6	Very low	189 Å²	189	127.1 Å²	127.1	88%	0.875	79%	0.79	S	S	*	*			trans	94.2	171.4	161.7	-64.5	-70.5	0	0	0	122.2
255	S	26.7	Very low	31.3	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	79%	0.794	S	S	*	*			trans	-166.7	152.8	-142.1	55.2	0	0	0	0	114.6
256	L	27.9	Very low	30.2	Very low	177 Å²	177	128.3 Å²	128.3	93%	0.927	79%	0.794	S	S	*	*			trans	168.4	174.7	138.8	-92.5	163.3	0	0	0	112.6
257	N	29.8	Very low	30.3	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	80%	0.802	S	S	*	*			trans	-144.6	153.4	-176.3	-155	26.9	0	0	0	108.9
258	P	40.4	Very low	30.2	Very low	101 Å²	101	129.2 Å²	129.2	66%	0.656	80%	0.799	S	S	*	*				-159.5	-177.6	96.9	43.9	-23.9	0	0	0	118.3
259	D	27.9	Very low	30.1	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	80%	0.803	S	S	*	*			trans	69.8	97.8	149.4	-59.7	-20.1	0	0	0	125.6
260	A	28.3	Very low	29.1	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	81%	0.805	S	S	*	*				66	124.6	117.9	0	0	0	0	0	125.4
261	S	27.9	Very low	28.9	Very low	133 Å²	133	140.3 Å²	140.3	93%	0.93	81%	0.813	S	S	*	*			trans	88.4	137.5	146.9	80.5	0	0	0	0	120.7
262	G	27.7	Very low	27.8	Very low	83 Å²	83	140.9 Å²	140.9	86%	0.856	82%	0.82	S	S	*	*			trans	143.8	149.8	-177	0	0	0	0	0	111.7
263	S	25.7	Very low	27.7	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	82%	0.822	S	S	*	*			trans	-129.3	157.1	-169.5	-163.1	0	0	0	0	115.3
264	S	25.6	Very low	27.5	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	83%	0.833	S	S	*	*			trans	75.1	115.6	161.6	-64	0	0	0	0	121.5
265	C	23.5	Very low	27.4	Very low	127 Å²	127	143 Å²	143	86%	0.858	83%	0.829	S	S	*	*			trans	66.4	98.8	134.2	-59.7	0	0	0	0	121.9
266	S	27.4	Very low	27.3	Very low	125 Å²	125	144.5 Å²	144.5	87%	0.874	84%	0.839	S	S	*	*			trans	-161	163.5	135.7	54.4	0	0	0	0	111.7
267	L	27.8	Very low	27.3	Very low	183 Å²	183	140.7 Å²	140.7	96%	0.958	83%	0.832	S	S	*	*			trans	-104.5	130.5	-175	-70.9	92.6	0	0	0	114.1
268	A	24.4	Very low	27.1	Very low	97 Å²	97	139.4 Å²	139.4	80%	0.802	84%	0.835	S	S	*	*			trans	-146.8	134.8	149.9	0	0	0	0	0	107.8
269	R	27.4	Very low	26.6	Very low	241 Å²	241	140.3 Å²	140.3	91%	0.909	84%	0.838	S	S	*	*			cis	96.6	64.2	33.7	-159.1	-172.9	-162.7	179.9	7.6	114.4
270	T	25.5	Very low	26.5	Very low	132 Å²	132	144.9 Å²	144.9	81%	0.81	85%	0.845	S	S	*	*			trans	-129.9	105.5	160.5	49.8	0	0	0	0	108.2
271	R	26.7	Very low	26.5	Very low	245 Å²	245	151.6 Å²	151.6	93%	0.925	85%	0.851	S	S	*	*				47.3	76.1	80.4	-84.9	-171.3	167.1	175	-2.8	113.9
272	S	26.6	Very low	26.4	Very low	113 Å²	113	150 Å²	150	79%	0.79	85%	0.845	S	S	*	*			trans	-70.6	164.7	141.2	56.1	0	0	0	0	109.8
273	R	27.1	Very low	26.3	Very low	248 Å²	248	151.6 Å²	151.6	94%	0.936	84%	0.843	S	S	*	*			trans	-142.8	96.1	-174.1	-176	-178.2	179.6	-175	-0.9	110.4
274	E	24.9	Very low	26.3	Very low	182 Å²	182	151.7 Å²	151.7	85%	0.85	84%	0.844	S	S	*	*			trans	-123.2	151.4	176	-67.2	-173.5	150	0	0	111.1
275	S	25.3	Very low	26.4	Very low	116 Å²	116	151.5 Å²	151.5	81%	0.811	85%	0.849	S	S	*	*			trans	57.7	123.8	165.8	-161.5	0	0	0	0	119.6
276	C	26.3	Very low	26.7	Very low	130 Å²	130	152.8 Å²	152.8	88%	0.878	85%	0.847	S	S	*	*			trans	-177.4	98.5	135.6	-110.2	0	0	0	0	110.9
277	A	26.8	Very low	26.7	Very low	96 Å²	96	154.1 Å²	154.1	79%	0.793	85%	0.845	S	S	*	*			trans	-161.4	50.6	173	0	0	0	0	0	113.9	V279	A277-V279 PolarHBondContact O-N 2.86Å
278	S	25.5	Very low	26.8	Very low	119 Å²	119	153.9 Å²	153.9	83%	0.832	84%	0.842	S	S	*	*			trans	-92.8	84	177.3	44.1	0	0	0	0	112.4	R280	S278-R280 PolarHBondContact O-N 2.75Å
279	V	29.3	Very low	27	Very low	120 Å²	120	158 Å²	158	73%	0.727	85%	0.845	S	S	*	*			trans	-82.4	114.9	178.1	177.8	0	0	0	0	111.1	A277	A277-V279 PolarHBondContact O-N 2.86Å
280	R	26.7	Very low	26.9	Very low	244 Å²	244	150.6 Å²	150.6	92%	0.921	84%	0.835	S	S	*	*			trans	-70.7	142.6	163.8	-60.7	174	180	165.5	-2.2	109.5	S278	S278-R280 PolarHBondContact O-N 2.75Å
281	R	28.1	Very low	26.9	Very low	230 Å²	230	153 Å²	153	87%	0.868	84%	0.839	S	S	*	*			trans	-139.4	138.8	159	-172.3	166.4	-74.4	129.6	-3.2	109.4
282	A	25.6	Very low	26.9	Very low	99 Å²	99	152.2 Å²	152.2	82%	0.818	84%	0.836	S	S	*	*			trans	-96.5	170.3	-175.9	0	0	0	0	0	112.2
283	S	25.4	Very low	26.9	Very low	117 Å²	117	151.6 Å²	151.6	82%	0.818	84%	0.838	S	S	*	*			trans	-105.6	123.5	176.4	52.7	0	0	0	0	111.3
284	S	27.4	Very low	26.8	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	83%	0.83	S	S	*	*			trans	-174.7	111.6	159.7	54.3	0	0	0	0	110.3
285	A	27.2	Very low	27	Very low	99 Å²	99	141.7 Å²	141.7	82%	0.818	83%	0.832	S	S	*	*			trans	-170.4	106.1	161.3	0	0	0	0	0	108.4
286	D	28.5	Very low	27.1	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	83%	0.833	S	S	*	*			trans	-94.1	160.1	165.2	-58.4	-64.9	0	0	0	109.4
287	D	28.5	Very low	28	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	82%	0.824	S	S	*	*			trans	39.7	123.1	162.1	-59.1	-19.1	0	0	0	121.8
288	I	30.8	Very low	28.5	Very low	177 Å²	177	143.7 Å²	143.7	91%	0.908	82%	0.823	S	S	*	*				-158.6	139.8	124.7	-106.1	160.6	0	0	0	109.5
289	E	27.4	Very low	29.3	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	82%	0.817	S	S	*	*			trans	-108.7	170.4	-177.2	-174.4	168.1	-179.5	0	0	112.6
290	A	24.7	Very low	30.3	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	81%	0.813	S	S	*	*			trans	87.3	98.4	155.6	0	0	0	0	0	119.4
291	M	26.5	Very low	30.4	Very low	182 Å²	182	140.5 Å²	140.5	90%	0.897	81%	0.807	S	S	*	*				-177	143.2	126.7	-96.4	-158.4	-71	0	0	110.2
292	R	26.7	Very low	30.5	Very low	229 Å²	229	137 Å²	137	86%	0.864	80%	0.8	S	S	*	*			cis	-166.2	146.5	-22.4	-165.4	176	-174.3	176.2	2.7	109.2
293	A	26.3	Very low	30.6	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	80%	0.797	S	S	*	*			trans	66.2	142.9	170	0	0	0	0	0	118
294	G	25.6	Very low	30.9	Very low	74 Å²	74	135.8 Å²	135.8	76%	0.763	79%	0.791	S	S	*	*			cis	130.2	107.7	-17.9	0	0	0	0	0	116.3
295	V	28.2	Very low	31	Very low	148 Å²	148	136.7 Å²	136.7	90%	0.897	79%	0.791	S	S	*	*			trans	-146.8	150.3	160.5	177.6	0	0	0	0	108.9
296	L	27	Very low	30.9	Very low	158 Å²	158	136 Å²	136	83%	0.827	79%	0.794	S	S	*	*			trans	-147.5	177.7	-177.2	-92.1	160.4	0	0	0	109
297	P	45.5	Very low	30.9	Very low	106 Å²	106	133.4 Å²	133.4	69%	0.688	79%	0.794	S	S	*	*				-108.9	-159.3	-78.9	37.3	-17.4	0	0	0	110.7
298	P	37	Very low	30.8	Very low	121 Å²	121	134.9 Å²	134.9	79%	0.786	80%	0.798	S	S	*	*				-148.8	173.2	77.2	36.4	-15	0	0	0	116.9
299	P	43.3	Very low	30.6	Very low	109 Å²	109	135.1 Å²	135.1	71%	0.708	80%	0.795	S	S	*	*			trans	-116.7	-148.3	-180	45.1	-31.7	0	0	0	110.9
300	P	50.5	Low	31	Very low	97 Å²	97	131.3 Å²	131.3	63%	0.63	79%	0.786	S	S	*	*			cis	-140.1	-160.5	-9.9	32.4	-6.6	0	0	0	115.4
301	R	27.7	Very low	31.1	Very low	209 Å²	209	134.9 Å²	134.9	79%	0.789	79%	0.793	S	S	*	*			trans	86.2	145.5	156.7	-65.7	167.8	-176.3	179.9	0.8	118.1
302	H	30.3	Very low	31.1	Very low	158 Å²	158	137.3 Å²	137.3	73%	0.731	79%	0.792	S	S	*	*			cis	-142.2	144.5	-7.3	-99.3	-56.1	0	0	0	108.2
303	A	28.3	Very low	30.9	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	79%	0.793	S	S	*	*				58	140.3	96.9	0	0	0	0	0	115.7
304	S	31.6	Very low	30.8	Very low	99 Å²	99	131 Å²	131	69%	0.692	79%	0.788	S	S	*	*			cis	-161.1	165.6	11.3	61.3	0	0	0	0	115
305	T	28.7	Very low	30.9	Very low	138 Å²	138	135.9 Å²	135.9	85%	0.847	80%	0.795	S	S	*	*			trans	57	123	146.3	48.6	0	0	0	0	122.3
306	G	27	Very low	30.8	Very low	85 Å²	85	136.6 Å²	136.6	88%	0.876	79%	0.793	S	S	*	*			trans	170.9	98.5	160.2	0	0	0	0	0	111.2
307	A	26.5	Very low	30.7	Very low	98 Å²	98	136.7 Å²	136.7	81%	0.81	80%	0.795	S	S	*	*			trans	-123	137.6	-167.2	0	0	0	0	0	113.7
308	M	26.6	Very low	29.7	Very low	186 Å²	186	137.2 Å²	137.2	92%	0.916	80%	0.801	S	S	*	*				-170.5	131.5	125.1	-101.1	-161.1	176.9	0	0	112.9
309	H	27.9	Very low	29.3	Very low	181 Å²	181	137.6 Å²	137.6	84%	0.838	80%	0.801	S	S	*	*			trans	13.8	161.7	140.8	-85.6	-94.5	0	0	0	123.2
310	P	35.9	Very low	28.4	Very low	105 Å²	105	137.8 Å²	137.8	68%	0.682	81%	0.805	S	S	*	*				-128.8	-162.3	-127.1	44.8	-29.5	0	0	0	115.4
311	L	26.6	Very low	27.2	Very low	159 Å²	159	140.4 Å²	140.4	83%	0.832	81%	0.814	S	S	*	*			trans	-34.9	154.7	160.9	-62.3	135.6	0	0	0	113
312	R	25.6	Very low	27.2	Very low	233 Å²	233	135 Å²	135	88%	0.879	81%	0.808	S	S	*	*			cis	-171.5	174	49.6	-156.9	176.4	-173.7	179	2.4	113
313	S	23.4	Very low	27.1	Very low	126 Å²	126	134.3 Å²	134.3	88%	0.881	81%	0.81	S	S	*	*			trans	81.6	155.2	167.1	83.8	0	0	0	0	116
314	G	23.8	Very low	27.1	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	81%	0.812	S	S	*	*			cis	-151.5	-175.7	6.7	0	0	0	0	0	114.6
315	L	28	Very low	27	Very low	177 Å²	177	138 Å²	138	93%	0.927	81%	0.813	S	S	*	*			trans	-68.9	134.9	179.8	-72	147.3	0	0	0	111.9
316	L	26.3	Very low	26.8	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	81%	0.811	S	S	*	*			trans	-137.5	114.5	150.8	-84.1	178.9	0	0	0	110.4
317	N	25	Very low	26.8	Very low	161 Å²	161	146.9 Å²	146.9	86%	0.861	81%	0.806	S	S	*	*			trans	-67.3	135.7	144.7	-92.9	-7.5	0	0	0	107
318	S	23.1	Very low	26.9	Very low	116 Å²	116	152.6 Å²	152.6	81%	0.811	81%	0.806	S	S	*	*			trans	-138.4	131.8	158.9	-167.7	0	0	0	0	109.3
319	T	29.1	Very low	26.9	Very low	129 Å²	129	149.1 Å²	149.1	79%	0.791	80%	0.795	S	S	*	*			trans	-109.8	130.2	-175.3	48.9	0	0	0	0	110
320	S	25.2	Very low	27.1	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	79%	0.793	S	S	*	*			trans	-155.5	105.7	160.7	61.3	0	0	0	0	111.6
321	D	25.1	Very low	26.6	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	80%	0.795	S	S	*	*			trans	-56.2	157.8	137.4	-56.8	-80.6	0	0	0	108.3
322	S	27.9	Very low	26.5	Very low	97 Å²	97	148.9 Å²	148.9	68%	0.678	79%	0.793	S	S	*	*			cis	-161	-168.4	42.8	-52.9	0	0	0	0	111.8
323	D	26.8	Very low	26.7	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	79%	0.786	S	S	*	*			trans	79.5	138.9	153.2	-64.2	-5.6	0	0	0	120
324	L	29.4	Very low	27.1	Very low	150 Å²	150	144.8 Å²	144.8	79%	0.785	79%	0.785	S	S	*	*			cis	-154	156.3	-18	-123.4	170	0	0	0	112.7
325	V	28.8	Very low	27.3	Very low	117 Å²	117	149.4 Å²	149.4	71%	0.709	79%	0.787	S	S	*	*			trans	-63.2	122.8	178.9	163.4	0	0	0	0	114.8
326	R	25.7	Very low	27.2	Very low	216 Å²	216	148.9 Å²	148.9	82%	0.815	78%	0.784	S	S	*	*				173.8	150	121.4	-105.9	157.8	-176.3	173.1	2.5	119.1
327	Y	26.4	Very low	27.2	Very low	194 Å²	194	146.8 Å²	146.8	76%	0.761	78%	0.778	S	S	*	*			trans	28.3	116.1	153.8	-70	-55.8	0	0	0	124.6
328	R	28.8	Very low	27.3	Very low	218 Å²	218	147.2 Å²	147.2	82%	0.823	78%	0.779	S	S	*	*				38.9	135.7	116.4	-87.4	-173.3	176.5	165.1	0.1	122.4
329	T	27	Very low	27.3	Very low	112 Å²	112	148.7 Å²	148.7	69%	0.687	78%	0.778	S	S	*	*			trans	96.8	120.3	131.5	43.1	0	0	0	0	124.7
330	I	31.7	Very low	27.1	Very low	153 Å²	153	152 Å²	152	79%	0.785	78%	0.782	S	S	*	*			trans	84.4	122.2	133.6	-65.8	163.6	0	0	0	121.7
331	S	25.3	Very low	27.1	Very low	103 Å²	103	152.7 Å²	152.7	72%	0.72	78%	0.781	S	S	*	*				174	155.9	129.4	35.5	0	0	0	0	110.5
332	K	23.4	Very low	27.2	Very low	184 Å²	184	152.4 Å²	152.4	80%	0.8	78%	0.779	S	S	*	*			cis	-155.3	131.3	-13.5	-103.3	161	175.1	175.1	0	107.5
333	I	30.3	Very low	27	Very low	142 Å²	142	156.2 Å²	156.2	73%	0.728	79%	0.791	S	S	*	*				35.2	143.6	104	1.4	177.1	0	0	0	118.1	Q335	I333-Q335 HydrophobicContact CG2-CG 4.33Å
334	P	32.1	Very low	26.8	Very low	132 Å²	132	157.4 Å²	157.4	86%	0.857	79%	0.79	S	S	*	*				-134.9	-177.5	88.4	35.1	-19.9	0	0	0	116.1
335	Q	27.9	Very low	26.5	Very low	167 Å²	167	154 Å²	154	78%	0.78	79%	0.79	S	S	*	*			trans	-115.5	160.5	-167.4	-52.5	168.2	-63.8	0	0	113.4	I333	I333-Q335 HydrophobicContact CG2-CG 4.33Å
336	I	25.6	Very low	26.4	Very low	166 Å²	166	154 Å²	154	85%	0.851	79%	0.786	S	S	*	*			trans	-139.5	146.4	148.5	-63.4	-174.1	0	0	0	108.9
337	T	26.5	Very low	27	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	78%	0.784	S	S	*	*			trans	-133.5	144.1	177.2	48.1	0	0	0	0	111.6
338	L	27.4	Very low	26.8	Very low	169 Å²	169	148.8 Å²	148.8	89%	0.885	79%	0.786	S	S	*	*			trans	-146.9	153.6	165.1	-85.2	-179.4	0	0	0	111.3
339	N	23.6	Very low	26.8	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	79%	0.786	S	S	*	*			trans	-115.3	149.7	176.3	-53.4	-69.9	0	0	0	110.3
340	F	24.5	Very low	26.6	Very low	198 Å²	198	145 Å²	145	87%	0.868	79%	0.79	S	S	*	*			trans	-168.7	119.3	145.5	-92.1	-74.9	0	0	0	105.7
341	V	25.5	Very low	26.6	Very low	128 Å²	128	142.8 Å²	142.8	78%	0.776	79%	0.789	S	S	*	*				79.7	142.5	77.6	172.5	0	0	0	0	113.9
342	D	25.9	Very low	27	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	79%	0.79	S	S	*	*			trans	-57.3	156.1	-174.8	-57.9	-88.5	0	0	0	116.4
343	L	23.7	Very low	27	Very low	177 Å²	177	140.3 Å²	140.3	93%	0.927	79%	0.786	S	S	*	*				-145	142.6	123.4	-145.1	73.6	0	0	0	111.9
344	K	23.7	Very low	26.9	Very low	167 Å²	167	138.4 Å²	138.4	73%	0.726	79%	0.786	S	S	*	*			trans	-101.9	140	-178.7	-174.2	-172.1	179.9	-157.7	0	110.7	D346	K344-D346 WeakPolarHBondContact CE-OD2 3.5Å; K344-D346 IonicContact NZ-OD2 2.78Å; K344-D346 PolarHBondContact NZ-OD2 2.8Å
345	G	23.6	Very low	26.6	Very low	78 Å²	78	138.9 Å²	138.9	80%	0.804	78%	0.781	S	S	*	*			trans	-138.2	117.1	168.9	0	0	0	0	0	111.1
346	D	25.1	Very low	26.5	Very low	117 Å²	117	141.3 Å²	141.3	63%	0.626	78%	0.783	S	S	*	*			trans	-109.6	166.1	-178.9	-105	-23.6	0	0	0	111.3	K344	K344-D346 WeakPolarHBondContact CE-OD2 3.5Å; K344-D346 IonicContact NZ-OD2 2.78Å; K344-D346 PolarHBondContact NZ-OD2 2.8Å
347	P	38.7	Very low	26.4	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	78%	0.784	S	S	*	*			trans	-92.4	176.3	-159.1	37.1	-38.9	0	0	0	115.7
348	F	23.7	Very low	26.3	Very low	185 Å²	185	143.9 Å²	143.9	81%	0.811	79%	0.787	S	S	*	*			trans	-117.2	120.2	176.6	-100.2	-107.7	0	0	0	113.4
349	L	27	Very low	26.4	Very low	156 Å²	156	143.9 Å²	143.9	82%	0.817	79%	0.786	S	S	*	*			trans	61.6	152.1	149.1	-53.9	176.4	0	0	0	119.8
350	A	23.9	Very low	26.4	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	78%	0.783	S	S	*	*			cis	-165	160.5	-26.9	0	0	0	0	0	109
351	S	30.4	Very low	26.9	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	78%	0.781	S	S	*	*			trans	-94.7	175.3	175.5	61.7	0	0	0	0	112.9
352	P	33.8	Very low	26.8	Very low	116 Å²	116	141.6 Å²	141.6	75%	0.753	79%	0.787	S	S	*	*				-147.9	173.1	109	37.1	-21	0	0	0	114.3
353	T	25.2	Very low	27.2	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	79%	0.792	S	S	*	*			cis	-165.6	177.4	-33.1	34.8	0	0	0	0	108.1
354	S	27.5	Very low	27.3	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	78%	0.783	S	S	*	*			trans	73.1	136.5	161.9	67.3	0	0	0	0	119.1
355	D	25.9	Very low	27.4	Very low	142 Å²	142	140 Å²	140	76%	0.759	77%	0.774	S	S	*	*			cis	-151.8	-176.5	-13.6	-125	-57.8	0	0	0	115.2
356	R	24.6	Very low	27.8	Very low	218 Å²	218	147.1 Å²	147.1	82%	0.823	78%	0.777	S	S	*	*			trans	-71.7	171.7	-169.8	-63.5	162.5	162.9	-177.6	-4.2	113.9
357	E	24.5	Very low	28.2	Very low	187 Å²	187	145.6 Å²	145.6	87%	0.874	77%	0.772	S	S	*	*			cis	-148.6	169.7	41.2	-74.3	-167.9	131.3	0	0	118.6
358	I	24.7	Very low	27.9	Very low	152 Å²	152	147 Å²	147	78%	0.779	77%	0.768	S	S	*	*			trans	-66	144.9	-172.7	-62.8	152.9	0	0	0	115.3
359	I	28.7	Very low	28.3	Very low	170 Å²	170	143.4 Å²	143.4	87%	0.872	76%	0.757	S	S	*	*			trans	-169.5	160.4	134.7	-99.4	156	0	0	0	110.2
360	A	23.3	Very low	28.8	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	75%	0.746	S	S	*	*			trans	-102.6	-163.9	-161.9	0	0	0	0	0	115.2
361	P	36.3	Very low	29.4	Very low	125 Å²	125	140 Å²	140	81%	0.812	73%	0.733	S	S	*	*				-105.8	164.8	-110.8	39.2	-27.9	0	0	0	115.5
362	K	23.5	Very low	29.7	Very low	211 Å²	211	141.4 Å²	141.4	92%	0.917	73%	0.728	S	S	*	*			trans	-149.9	157.3	165.7	-125.7	168.5	-173.2	171.4	0	113.9
363	I	32.6	Very low	29.8	Very low	171 Å²	171	143.5 Å²	143.5	88%	0.877	73%	0.725	S	S	*	*			trans	-99.4	116.4	-165	-63.4	166	0	0	0	112.2
364	K	26.3	Very low	30.5	Very low	169 Å²	169	141.2 Å²	141.2	74%	0.735	71%	0.711	S	S	*	*			trans	-175.8	153	157.3	-107.6	-174.3	174.8	-141.5	0	106.3
365	E	26.4	Very low	30.9	Very low	116 Å²	116	140.5 Å²	140.5	54%	0.542	70%	0.702	S	S	.	*			cis	-153.2	137.5	3.9	-149.7	149	-149	0	0	108.3
366	R	31.1	Very low	31.4	Very low	228 Å²	228	141.4 Å²	141.4	86%	0.86	70%	0.702	S	S	*	*			trans	-117.4	34.1	-173.4	-158.2	-176.9	173.6	161.1	-0.4	113.5
367	T	33.7	Very low	32.1	Very low	85 Å²	85	134.6 Å²	134.6	52%	0.521	68%	0.684	S	S	.	*			trans	-119.2	-13.5	-170	45.2	0	0	0	0	114.8	N369	T367-N369 PolarHBondContact O-N 2.63Å
368	H	33.2	Very low	32.9	Very low	145 Å²	145	129.4 Å²	129.4	67%	0.671	66%	0.662	S	S	*	*	H	α-helix	trans	-75.9	-20.2	-174.6	-96.8	-88.4	0	0	0	115.7	T371	H368-T371 PolarHBondContact O-OG1 3.05Å
369	N	32.5	Very low	33.2	Very low	110 Å²	110	127.2 Å²	127.2	59%	0.588	66%	0.66	S	S	*	*	H	α-helix	trans	-99.2	3.8	-174.4	49.8	-2.9	0	0	0	114.5	T367	T367-N369 PolarHBondContact O-N 2.63Å
370	V	36.1	Very low	33.8	Very low	98 Å²	98	124.8 Å²	124.8	59%	0.594	65%	0.649	S	S	*	*	H	α-helix	trans	-96.8	-40.2	168	-179.9	0	0	0	0	110.6	E372 K373 V374	V370-E372 PolarHBondContact O-N 2.89Å; V370-K373 PolarHBondContact O-N 2.72Å; V370-V374 WeakPolarHBondContact O-CG2 3.31Å; V370-V374 PolarHBondContact O-N 3.06Å
371	T	36.6	Very low	34.3	Very low	81 Å²	81	124.2 Å²	124.2	50%	0.497	65%	0.652	S	S	.	*	H	α-helix	trans	-58	-45.3	178.3	38.9	0	0	0	0	112.7	H368 K373 V374 T375	H368-T371 PolarHBondContact O-OG1 3.05Å; T371-K373 PolarHBondContact O-N 3.04Å; T371-V374 PolarHBondContact O-N 3.14Å; T371-V374 VanDerWaalsContact O-N 3.09Å; T371-T375 PolarHBondContact O-N 3.22Å; T371-T375 PolarHBondContact O-OG1 2.97Å
372	E	36.4	Very low	34.1	Very low	137 Å²	137	122.7 Å²	122.7	64%	0.64	65%	0.649	S	S	*	*	H	α-helix	trans	-64.1	-38.8	-175.5	-169.4	174.6	-132.4	0	0	113.3	V370 V374 T375 Q376	V370-E372 PolarHBondContact O-N 2.89Å; E372-V374 VanDerWaalsContact C-N 3.33Å; E372-T375 WeakPolarHBondContact CA-OG1 3.44Å; E372-T375 PolarHBondContact O-OG1 3.13Å; E372-T375 VanDerWaalsContact O-OG1 3.04Å; E372-Q376 WeakPolarHBondContact O-CB 3.45Å; E372-Q376 PolarHBondContact O-N 3.16Å
373	K	36.7	Very low	34.7	Very low	159 Å²	159	120.1 Å²	120.1	69%	0.691	65%	0.646	S	S	*	*	H	α-helix	trans	-73.8	-23.7	174.2	-73.5	-168.7	175.2	-176.2	0	113.3	V370 T371 V377	V370-K373 PolarHBondContact O-N 2.72Å; T371-K373 PolarHBondContact O-N 3.04Å; K373-V377 VanDerWaalsContact O-CG2 3.27Å; K373-V377 WeakPolarHBondContact O-CG2 3.41Å; K373-V377 PolarHBondContact O-N 2.75Å
374	V	39.2	Very low	35	Very low	71 Å²	71	116.1 Å²	116.1	43%	0.43	63%	0.629	S	S	.	*	H	α-helix	trans	-79	-43.7	174.4	171.4	0	0	0	0	110.6	V370 T371 E372 Q376 V377 L378	V370-V374 WeakPolarHBondContact O-CG2 3.31Å; V370-V374 PolarHBondContact O-N 3.06Å; T371-V374 PolarHBondContact O-N 3.14Å; T371-V374 VanDerWaalsContact O-N 3.09Å; E372-V374 VanDerWaalsContact C-N 3.33Å; V374-Q376 VanDerWaalsContact C-N 3.34Å; V374-Q376 PolarHBondContact O-N 3.17Å; V374-V377 PolarHBondContact O-N 3.3Å; V374-V377 VanDerWaalsContact O-N 3.12Å; V374-L378 HydrophobicContact CG1-CD1 3.73Å; V374-L378 HydrophobicContact CG1-CG 4.47Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 3.15Å
375	T	35.8	Very low	35.5	Very low	86 Å²	86	108.7 Å²	108.7	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-63.1	-39.1	174.7	53.8	0	0	0	0	111.7	T371 E372 V377 L378 S379	T371-T375 PolarHBondContact O-N 3.22Å; T371-T375 PolarHBondContact O-OG1 2.97Å; E372-T375 WeakPolarHBondContact CA-OG1 3.44Å; E372-T375 PolarHBondContact O-OG1 3.13Å; E372-T375 VanDerWaalsContact O-OG1 3.04Å; T375-V377 PolarHBondContact O-N 3.29Å; T375-L378 PolarHBondContact O-N 2.9Å; T375-L378 VanDerWaalsContact O-N 3.15Å; T375-S379 VanDerWaalsContact O-CB 3.32Å; T375-S379 WeakPolarHBondContact O-CB 3.45Å; T375-S379 PolarHBondContact O-N 3.13Å
376	Q	36.9	Very low	36.3	Very low	161 Å²	161	106.4 Å²	106.4	75%	0.752	59%	0.592	S	S	*	*	H	α-helix	trans	-67.2	-19.2	175.8	-160.4	173.5	54.8	0	0	113.8	E372 V374	E372-Q376 WeakPolarHBondContact O-CB 3.45Å; E372-Q376 PolarHBondContact O-N 3.16Å; V374-Q376 VanDerWaalsContact C-N 3.34Å; V374-Q376 PolarHBondContact O-N 3.17Å
377	V	39.7	Very low	36.5	Very low	75 Å²	75	98.3 Å²	98.3	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-91	-21.1	173.5	170.8	0	0	0	0	112.7	K373 V374 T375	K373-V377 VanDerWaalsContact O-CG2 3.27Å; K373-V377 WeakPolarHBondContact O-CG2 3.41Å; K373-V377 PolarHBondContact O-N 2.75Å; V374-V377 PolarHBondContact O-N 3.3Å; V374-V377 VanDerWaalsContact O-N 3.12Å; T375-V377 PolarHBondContact O-N 3.29Å
378	L	40.4	Very low	36.7	Very low	78 Å²	78	103.8 Å²	103.8	41%	0.408	58%	0.577	S	S	.	*	H	α-helix	trans	-96.3	-21.8	178.6	-69.6	171.5	0	0	0	114	V374 T375 L380	V374-L378 HydrophobicContact CG1-CD1 3.73Å; V374-L378 HydrophobicContact CG1-CG 4.47Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 3.15Å; T375-L378 PolarHBondContact O-N 2.9Å; T375-L378 VanDerWaalsContact O-N 3.15Å; L378-L380 PolarHBondContact O-N 3.23Å
379	S	31.9	Very low	36.5	Very low	106 Å²	106	102.4 Å²	102.4	74%	0.741	57%	0.569	S	S	*	*			trans	-72.4	32.9	178.1	-156.4	0	0	0	0	113.9	T375 G381	T375-S379 VanDerWaalsContact O-CB 3.32Å; T375-S379 WeakPolarHBondContact O-CB 3.45Å; T375-S379 PolarHBondContact O-N 3.13Å; S379-G381 VanDerWaalsContact C-N 3.29Å; S379-G381 PolarHBondContact O-N 2.92Å
380	L	40.5	Very low	36.8	Very low	119 Å²	119	106.2 Å²	106.2	62%	0.623	59%	0.589	S	S	*	*			trans	-94.5	26.5	178.2	-152.4	75.7	0	0	0	112.2	L378	L378-L380 PolarHBondContact O-N 3.23Å
381	G	33.9	Very low	36.7	Very low	78 Å²	78	106.8 Å²	106.8	80%	0.804	59%	0.585	S	S	*	*			trans	-91.6	11.7	-170.3	0	0	0	0	0	116.3	S379	S379-G381 VanDerWaalsContact C-N 3.29Å; S379-G381 PolarHBondContact O-N 2.92Å
382	A	31.9	Very low	36.8	Very low	92 Å²	92	107.1 Å²	107.1	76%	0.76	60%	0.595	S	S	*	*	S	Bend	trans	-124.9	-17.4	-170.7	0	0	0	0	0	115.9
383	D	35.9	Very low	37.4	Very low	157 Å²	157	103.8 Å²	103.8	84%	0.84	59%	0.586	S	S	*	*	S	Bend	trans	-116.8	4.6	-166.6	-104.5	-25.7	0	0	0	114.6
384	V	39.3	Very low	38	Very low	87 Å²	87	103.7 Å²	103.7	53%	0.527	58%	0.581	S	S	.	*			trans	-146.7	103.1	-177.4	-174.1	0	0	0	0	110.8	F14	F14-V384 HydrophobicContact CB-CG1 4.17Å
385	L	38.1	Very low	38.9	Very low	13 Å²	13	104.5 Å²	104.5	7%	0.068	58%	0.582	C	S	.	*			trans	167.8	89.4	144.7	-94.7	156.8	0	0	0	113.9	F14 V115 K116 N117 E118	F14-L385 HydrophobicContact CD1-CD2 3.55Å; F14-L385 HydrophobicContact CD2-CD2 3.98Å; F14-L385 HydrophobicContact CE1-CD2 3.51Å; F14-L385 HydrophobicContact CE2-CD2 3.94Å; F14-L385 HydrophobicContact CG-CD2 3.8Å; F14-L385 HydrophobicContact CG-CG 4.44Å; F14-L385 HydrophobicContact CZ-CD2 3.72Å; V115-L385 HydrophobicContact CG1-CD1 3.72Å; K116-L385 WeakPolarHBondContact O-CD1 3.32Å; N117-L385 PolarHBondContact ND2-O 3.14Å; N117-L385 WeakPolarHBondContact OD1-CB 3.32Å; N117-L385 WeakPolarHBondContact OD1-CD1 3.45Å; E118-L385 VanDerWaalsContact CG-O 3.26Å; E118-L385 WeakPolarHBondContact CG-O 3.11Å
386	P	41.8	Very low	40	Very low	68 Å²	68	105.7 Å²	105.7	44%	0.442	58%	0.582	S	S	.	*			trans	-75.5	154.6	177.4	31.1	-35.4	0	0	0	114.2
387	E	36.6	Very low	41.4	Very low	59 Å²	59	108.2 Å²	108.2	28%	0.276	58%	0.584	S	S	.	*			trans	-50.1	150.6	179.1	-97.8	-166.5	93	0	0	116.2	Q11 K389	Q11-E387 PolarHBondContact NE2-O 3Å; Q11-E387 PolarHBondContact OE1-O 3.2Å; E387-K389 PolarHBondContact O-N 3.26Å; E387-K389 WeakPolarHBondContact OE1-CE 3.45Å; E387-K389 IonicContact OE1-NZ 2.71Å; E387-K389 PolarHBondContact OE1-NZ 2.72Å
388	Y	37.5	Very low	43.3	Very low	200 Å²	200	114.7 Å²	114.7	78%	0.784	60%	0.6	S	S	*	*	S	Bend	trans	-68.8	47.2	176.5	-173.3	-105.5	0	0	0	114.9
389	K	29.7	Very low	45.5	Very low	115 Å²	115	111.8 Å²	111.8	50%	0.5	59%	0.586	S	S	.	*	S	Bend	trans	-134.9	145.6	177.4	-69.5	169.6	-173.1	144.5	0	110	Q11 E387 Q391	Q11-K389 PolarHBondContact NE2-O 3.19Å; E387-K389 PolarHBondContact O-N 3.26Å; E387-K389 WeakPolarHBondContact OE1-CE 3.45Å; E387-K389 IonicContact OE1-NZ 2.71Å; E387-K389 PolarHBondContact OE1-NZ 2.72Å; K389-Q391 HydrophobicContact CB-CG 4.44Å; K389-Q391 PolarHBondContact O-N 3.43Å
390	L	37.4	Very low	48.2	Very low	191 Å²	191	108.6 Å²	108.6	100%	1	56%	0.56	S	S	*	*			trans	-68.9	54.9	174.5	-80	158.7	0	0	0	112.8
391	Q	34.6	Very low	50.4	Low	110 Å²	110	104.8 Å²	104.8	51%	0.514	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-77.9	145.6	166.9	-70.6	-178.4	-11.4	0	0	109.5	K389	K389-Q391 HydrophobicContact CB-CG 4.44Å; K389-Q391 PolarHBondContact O-N 3.43Å
392	A	39.7	Very low	52.9	Low	87 Å²	87	102 Å²	102	72%	0.719	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-57.5	141	163.5	0	0	0	0	0	108.7	R394	A392-R394 PolarHBondContact O-N 2.82Å
393	P	47.2	Very low	55.4	Low	68 Å²	68	101.5 Å²	101.5	44%	0.442	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-57.6	140.4	-174.9	25.3	-34.7	0	0	0	109.6	V8 I395	V8-P393 HydrophobicContact CG1-CB 4.05Å; V8-P393 HydrophobicContact CG1-CG 3.77Å; V8-P393 HydrophobicContact CG2-CG 3.95Å; P393-I395 VanDerWaalsContact C-N 3.28Å; P393-I395 PolarHBondContact O-N 3.2Å
394	R	51.1	Low	57.8	Low	157 Å²	157	95.5 Å²	95.5	59%	0.592	46%	0.455	S	S	*	.			trans	-61.6	89.8	179.9	-69	-172	-169.4	152.2	5.4	109.9	E118 A392 H396	E118-R394 VanDerWaalsContact CD-NH1 3.29Å; E118-R394 IonicContact OE1-CZ 3.23Å; E118-R394 IonicContact OE1-NH1 3.13Å; E118-R394 PolarHBondContact OE1-NH1 2.73Å; E118-R394 IonicContact OE2-CZ 3.15Å; E118-R394 IonicContact OE2-NH1 2.68Å; E118-R394 PolarHBondContact OE2-NH1 3.1Å; E118-R394 IonicContact OE2-NH2 2.64Å; E118-R394 PolarHBondContact OE2-NH2 3.07Å; A392-R394 PolarHBondContact O-N 2.82Å; R394-H396 PolarHBondContact O-N 2.97Å
395	I	58.1	Low	60.1	Low	87 Å²	87	96.3 Å²	96.3	45%	0.446	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-61.6	125	177.4	12.7	175.3	0	0	0	108.4	P393 R397 T399 L401	P393-I395 VanDerWaalsContact C-N 3.28Å; P393-I395 PolarHBondContact O-N 3.2Å; I395-R397 PolarHBondContact O-N 3.25Å; I395-T399 WeakPolarHBondContact CG2-OG1 3.5Å; I395-L401 HydrophobicContact CD1-CD1 4.26Å; I395-L401 HydrophobicContact CG2-CD1 3.67Å
396	H	58.6	Low	62.6	Low	112 Å²	112	100.9 Å²	100.9	52%	0.519	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-57.4	142	179.9	-171.8	86.5	0	0	0	109.9	R394 W398 T399	R394-H396 PolarHBondContact O-N 2.97Å; H396-W398 PolarHBondContact O-N 2.93Å; H396-T399 HydrophobicContact CB-CG2 4.18Å; H396-T399 PolarHBondContact O-N 2.85Å; H396-T399 PolarHBondContact O-OG1 3.33Å
397	R	66.4	Low	64.9	Low	214 Å²	214	98.2 Å²	98.2	81%	0.808	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	126.3	-176.2	-119.4	174.5	171	177.2	-4.5	109.5	I395	I395-R397 PolarHBondContact O-N 3.25Å
398	W	78.8	Confident	67.3	Low	210 Å²	210	97.3 Å²	97.3	80%	0.795	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	53.3	-178.3	-48.3	17	0	0	0	113.5	H396 R472	H396-W398 PolarHBondContact O-N 2.93Å; W398-R472 WeakPolarHBondContact O-CD 3.28Å; W398-R472 PolarHBondContact O-NH1 3.12Å
399	T	86.3	Confident	69.8	Low	17 Å²	17	92.6 Å²	92.6	10%	0.104	46%	0.458	C	S	.	.			trans	-123.5	148	166.3	53.8	0	0	0	0	110.5	I395 H396	I395-T399 WeakPolarHBondContact CG2-OG1 3.5Å; H396-T399 HydrophobicContact CB-CG2 4.18Å; H396-T399 PolarHBondContact O-N 2.85Å; H396-T399 PolarHBondContact O-OG1 3.33Å
400	I	89	Confident	72.7	Confident	40 Å²	40	88.6 Å²	88.6	21%	0.205	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-118.9	129.2	-171.7	-60.3	174.1	0	0	0	109.8	F406 K407 I469 R472 T473 T474	I400-F406 HydrophobicContact CD1-CE1 4.32Å; I400-K407 HydrophobicContact CG2-CB 4.22Å; I400-I469 HydrophobicContact CD1-CG2 4.27Å; I400-R472 PolarHBondContact N-O 3.36Å; I400-T473 HydrophobicContact CB-CG2 4.05Å; I400-T473 HydrophobicContact CG2-CG2 4.08Å; I400-T473 CarbonylContact O-C 3.53Å; I400-T473 VanDerWaalsContact O-CA 3.24Å; I400-T473 WeakPolarHBondContact O-CA 3.42Å; I400-T474 PolarHBondContact O-N 3.27Å
401	L	87.1	Confident	75.2	Confident	39 Å²	39	79.6 Å²	79.6	20%	0.204	39%	0.393	C	S	.	.			trans	-73.4	132	174.7	-91.6	43.9	0	0	0	111.2	I395 Y403 S404 T474	I395-L401 HydrophobicContact CD1-CD1 4.26Å; I395-L401 HydrophobicContact CG2-CD1 3.67Å; L401-Y403 HydrophobicContact CB-CD1 4.43Å; L401-Y403 HydrophobicContact CB-CE1 4.35Å; L401-Y403 HydrophobicContact CD2-CE1 4.07Å; L401-Y403 HydrophobicContact CD2-CE2 3.8Å; L401-Y403 VanDerWaalsContact CD2-CZ 3.48Å; L401-Y403 WeakPolarHBondContact CD2-OH 3.35Å; L401-Y403 HydrophobicContact CG-CE1 3.98Å; L401-Y403 HydrophobicContact CG-CE2 4.46Å; L401-Y403 PolarHBondContact O-N 3.43Å; L401-Y403 VanDerWaalsContact O-N 3.12Å; L401-S404 WeakPolarHBondContact O-CB 3.37Å; L401-S404 PolarHBondContact O-N 3.24Å; L401-T474 HydrophobicContact CD1-CG2 4.08Å
402	H	86.4	Confident	77.8	Confident	20 Å²	20	79.7 Å²	79.7	9%	0.093	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.7	176.1	56.9	-91.8	0	0	0	114.7	T474 R541	H402-T474 VanDerWaalsContact CB-O 3.31Å; H402-T474 WeakPolarHBondContact CB-O 3.31Å; H402-T474 PolarHBondContact N-OG1 2.93Å; H402-T474 PolarHBondContact ND1-O 2.91Å; H402-T474 PolarHBondContact ND1-OG1 3.24Å; H402-R541 PolarHBondContact O-NH1 2.8Å; H402-R541 VanDerWaalsContact O-NH1 3.14Å; H402-R541 PolarHBondContact O-NH2 2.69Å
403	Y	83.5	Confident	80.3	Confident	81 Å²	81	78.9 Å²	78.9	32%	0.318	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.4	174.2	65.4	-98.8	0	0	0	113.7	R5 L401	R5-Y403 HydrophobicContact CG-CD1 4.07Å; R5-Y403 HydrophobicContact CG-CG 4.05Å; L401-Y403 HydrophobicContact CB-CD1 4.43Å; L401-Y403 HydrophobicContact CB-CE1 4.35Å; L401-Y403 HydrophobicContact CD2-CE1 4.07Å; L401-Y403 HydrophobicContact CD2-CE2 3.8Å; L401-Y403 VanDerWaalsContact CD2-CZ 3.48Å; L401-Y403 WeakPolarHBondContact CD2-OH 3.35Å; L401-Y403 HydrophobicContact CG-CE1 3.98Å; L401-Y403 HydrophobicContact CG-CE2 4.46Å; L401-Y403 PolarHBondContact O-N 3.43Å; L401-Y403 VanDerWaalsContact O-N 3.12Å
404	S	87.4	Confident	82.3	Confident	30 Å²	30	75.8 Å²	75.8	21%	0.21	35%	0.351	C	S	.	.			trans	-63.4	139.6	174.5	177.4	0	0	0	0	110.9	L401 F406 K407 A408	L401-S404 WeakPolarHBondContact O-CB 3.37Å; L401-S404 PolarHBondContact O-N 3.24Å; S404-F406 PolarHBondContact O-N 3.01Å; S404-F406 PolarHBondContact OG-N 2.69Å; S404-K407 PolarHBondContact O-N 2.75Å; S404-A408 PolarHBondContact O-N 2.79Å
405	P	87.3	Confident	84.1	Confident	105 Å²	105	68.6 Å²	68.6	68%	0.682	33%	0.325	S	S	*	.	H	α-helix	trans	-58.7	-34.9	175.5	24.4	-34	0	0	0	112.1	K407 A408 V409	P405-K407 PolarHBondContact O-N 3.4Å; P405-A408 PolarHBondContact O-N 3.37Å; P405-V409 WeakPolarHBondContact O-CG2 3.49Å; P405-V409 PolarHBondContact O-N 3.34Å
406	F	90.6	Very high	85.7	Confident	108 Å²	108	70.1 Å²	70.1	47%	0.474	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-47.1	172.4	171.5	-99.1	0	0	0	111.7	I400 S404 A408 V409 W410	I400-F406 HydrophobicContact CD1-CE1 4.32Å; S404-F406 PolarHBondContact O-N 3.01Å; S404-F406 PolarHBondContact OG-N 2.69Å; F406-A408 VanDerWaalsContact C-N 3.32Å; F406-A408 PolarHBondContact O-N 2.74Å; F406-V409 PolarHBondContact O-N 3.02Å; F406-W410 HydrophobicContact CZ-CE3 4.17Å; F406-W410 WeakPolarHBondContact O-CB 3.29Å; F406-W410 PolarHBondContact O-N 3.05Å
407	K	88.8	Confident	87.3	Confident	12 Å²	12	66.2 Å²	66.2	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-32.1	-179.9	-174.1	56.6	170.9	71.2	0	112	I400 S404 P405 D411 I469 T473	I400-K407 HydrophobicContact CG2-CB 4.22Å; S404-K407 PolarHBondContact O-N 2.75Å; P405-K407 PolarHBondContact O-N 3.4Å; K407-D411 IonicContact NZ-OD1 3.18Å; K407-D411 PolarHBondContact NZ-OD1 3.08Å; K407-D411 IonicContact NZ-OD2 2.66Å; K407-D411 PolarHBondContact NZ-OD2 3.07Å; K407-D411 WeakPolarHBondContact O-CB 3.2Å; K407-D411 VanDerWaalsContact O-CG 3.26Å; K407-D411 PolarHBondContact O-N 2.97Å; K407-I469 HydrophobicContact CD-CG2 4.2Å; K407-T473 HydrophobicContact CD-CG2 3.96Å; K407-T473 HydrophobicContact CG-CG2 4.43Å
408	A	87.3	Confident	88.5	Confident	40 Å²	40	56.1 Å²	56.1	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-46.8	173.6	0	0	0	0	0	112	S404 P405 F406 D411 W412	S404-A408 PolarHBondContact O-N 2.79Å; P405-A408 PolarHBondContact O-N 3.37Å; F406-A408 VanDerWaalsContact C-N 3.32Å; F406-A408 PolarHBondContact O-N 2.74Å; A408-D411 PolarHBondContact O-N 3.37Å; A408-W412 PolarHBondContact O-N 3.07Å
409	V	90.5	Very high	89	Confident	101 Å²	101	48 Å²	48	61%	0.612	25%	0.25	S	C	*	.	H	α-helix	trans	-63.5	-41.5	175	174.4	0	0	0	0	111.1	P405 F406 D411 W412 L413	P405-V409 WeakPolarHBondContact O-CG2 3.49Å; P405-V409 PolarHBondContact O-N 3.34Å; F406-V409 PolarHBondContact O-N 3.02Å; V409-D411 VanDerWaalsContact C-N 3.34Å; V409-D411 PolarHBondContact O-N 3.16Å; V409-W412 PolarHBondContact O-N 3.33Å; V409-L413 PolarHBondContact O-N 3.33Å
410	W	91.6	Very high	89.3	Confident	31 Å²	31	49.2 Å²	49.2	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-40.5	174.6	-172.6	-90.8	0	0	0	112.4	F406 W412 L413 I414 M462 V465 D466 I469	F406-W410 HydrophobicContact CZ-CE3 4.17Å; F406-W410 WeakPolarHBondContact O-CB 3.29Å; F406-W410 PolarHBondContact O-N 3.05Å; W410-W412 VanDerWaalsContact C-N 3.33Å; W410-W412 PolarHBondContact O-N 3.13Å; W410-L413 PolarHBondContact O-N 3.31Å; W410-I414 HydrophobicContact CG-CG1 4.48Å; W410-I414 HydrophobicContact CZ2-CD1 4.18Å; W410-I414 WeakPolarHBondContact O-CG1 3.33Å; W410-I414 PolarHBondContact O-N 3.18Å; W410-M462 HydrophobicContact CH2-CE 3.42Å; W410-M462 VanDerWaalsContact CH2-CE 3.42Å; W410-M462 HydrophobicContact CH2-SD 4.13Å; W410-M462 HydrophobicContact CZ2-CE 4.19Å; W410-M462 HydrophobicContact CZ3-CE 3.84Å; W410-V465 HydrophobicContact CH2-CB 4.49Å; W410-V465 HydrophobicContact CH2-CG1 3.75Å; W410-V465 HydrophobicContact CZ2-CB 4.41Å; W410-V465 HydrophobicContact CZ2-CG1 3.85Å; W410-D466 PolarHBondContact NE1-OD1 3.25Å; W410-I469 HydrophobicContact CD2-CD1 3.85Å; W410-I469 VanDerWaalsContact CE2-CD1 3.42Å; W410-I469 HydrophobicContact CE3-CD1 4.28Å; W410-I469 HydrophobicContact CG-CD1 4.45Å; W410-I469 HydrophobicContact CH2-CD1 3.99Å; W410-I469 HydrophobicContact CZ2-CD1 3.52Å; W410-I469 HydrophobicContact CZ3-CD1 4.34Å
411	D	88.6	Confident	89.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-36.4	176.5	-77.6	-34.6	0	0	0	112.8	K407 A408 V409 L415 K538 R541 Y542	K407-D411 IonicContact NZ-OD1 3.18Å; K407-D411 PolarHBondContact NZ-OD1 3.08Å; K407-D411 IonicContact NZ-OD2 2.66Å; K407-D411 PolarHBondContact NZ-OD2 3.07Å; K407-D411 WeakPolarHBondContact O-CB 3.2Å; K407-D411 VanDerWaalsContact O-CG 3.26Å; K407-D411 PolarHBondContact O-N 2.97Å; A408-D411 PolarHBondContact O-N 3.37Å; V409-D411 VanDerWaalsContact C-N 3.34Å; V409-D411 PolarHBondContact O-N 3.16Å; D411-L415 WeakPolarHBondContact O-CB 3.28Å; D411-L415 PolarHBondContact O-N 2.78Å; D411-K538 HydrophobicContact CB-CD 4.49Å; D411-K538 WeakPolarHBondContact OD1-CE 3.43Å; D411-K538 IonicContact OD1-NZ 2.71Å; D411-K538 PolarHBondContact OD1-NZ 3.35Å; D411-R541 IonicContact OD2-CZ 3.65Å; D411-R541 IonicContact OD2-NH1 3.8Å; D411-R541 PolarHBondContact OD2-NH1 3.41Å; D411-Y542 PolarHBondContact O-OH 3.45Å
412	W	89.1	Confident	89.7	Confident	112 Å²	112	45.6 Å²	45.6	42%	0.424	23%	0.234	S	C	.	.	H	α-helix	trans	-67.6	-39.4	171.6	-76.6	108.1	0	0	0	112.9	A408 V409 W410 L415 L416 Y542 A548	A408-W412 PolarHBondContact O-N 3.07Å; V409-W412 PolarHBondContact O-N 3.33Å; W410-W412 VanDerWaalsContact C-N 3.33Å; W410-W412 PolarHBondContact O-N 3.13Å; W412-L415 HydrophobicContact CE3-CD2 3.75Å; W412-L415 HydrophobicContact CZ3-CD2 3.67Å; W412-L415 WeakPolarHBondContact O-CB 3.42Å; W412-L415 PolarHBondContact O-N 2.9Å; W412-L416 PolarHBondContact O-N 3.21Å; W412-Y542 HydrophobicContact CH2-CD1 4.23Å; W412-Y542 HydrophobicContact CZ2-CD1 4.16Å; W412-Y542 HydrophobicContact CZ2-CE1 4.48Å; W412-A548 HydrophobicContact CH2-CB 4.04Å
413	L	91.8	Very high	90	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.366	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-43.2	174.9	-178.6	148.3	0	0	0	111.3	V409 W410 L415 L416 L417 M462	V409-L413 PolarHBondContact O-N 3.33Å; W410-L413 PolarHBondContact O-N 3.31Å; L413-L415 VanDerWaalsContact C-N 3.35Å; L413-L416 PolarHBondContact O-N 2.8Å; L413-L417 HydrophobicContact CD2-CD1 3.61Å; L413-L417 HydrophobicContact CD2-CG 4.35Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 2.96Å; L413-M462 HydrophobicContact CD1-CE 4.49Å; L413-M462 HydrophobicContact CD2-CE 3.51Å
414	I	90.9	Very high	90.3	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-37.5	174.6	-65.3	-68.1	0	0	0	111.2	W410 L416 L417 V418 F463 D466	W410-I414 HydrophobicContact CG-CG1 4.48Å; W410-I414 HydrophobicContact CZ2-CD1 4.18Å; W410-I414 WeakPolarHBondContact O-CG1 3.33Å; W410-I414 PolarHBondContact O-N 3.18Å; I414-L416 VanDerWaalsContact C-N 3.35Å; I414-L416 PolarHBondContact O-N 2.73Å; I414-L417 HydrophobicContact CD1-CD1 4.25Å; I414-L417 PolarHBondContact O-N 2.98Å; I414-V418 HydrophobicContact CG2-CG2 4.37Å; I414-V418 VanDerWaalsContact O-CG2 3.3Å; I414-V418 WeakPolarHBondContact O-CG2 3.27Å; I414-V418 PolarHBondContact O-N 3.03Å; I414-F463 HydrophobicContact CG2-CE1 4.17Å; I414-D466 HydrophobicContact CD1-CB 3.7Å; I414-D466 HydrophobicContact CG1-CB 4.37Å
415	L	88.7	Confident	90.3	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-44.3	173.7	177.9	63	0	0	0	111.7	D411 W412 L413 V418 I419 V535 Y542 L552	D411-L415 WeakPolarHBondContact O-CB 3.28Å; D411-L415 PolarHBondContact O-N 2.78Å; W412-L415 HydrophobicContact CE3-CD2 3.75Å; W412-L415 HydrophobicContact CZ3-CD2 3.67Å; W412-L415 WeakPolarHBondContact O-CB 3.42Å; W412-L415 PolarHBondContact O-N 2.9Å; L413-L415 VanDerWaalsContact C-N 3.35Å; L415-V418 PolarHBondContact O-N 3.49Å; L415-I419 HydrophobicContact CD1-CD1 4.3Å; L415-I419 HydrophobicContact CG-CD1 4.16Å; L415-I419 WeakPolarHBondContact O-CG1 3.38Å; L415-I419 PolarHBondContact O-N 3.19Å; L415-V535 HydrophobicContact CD1-CB 4.4Å; L415-V535 HydrophobicContact CD1-CG1 3.84Å; L415-V535 HydrophobicContact CD1-CG2 3.66Å; L415-Y542 HydrophobicContact CD1-CE2 4.29Å; L415-Y542 HydrophobicContact CD2-CE1 4.32Å; L415-Y542 HydrophobicContact CD2-CE2 4.14Å; L415-L552 HydrophobicContact CD1-CD2 4.22Å; L415-L552 HydrophobicContact CD2-CD2 4.15Å
416	L	90.8	Very high	90.4	Very high	120 Å²	120	41.2 Å²	41.2	63%	0.628	21%	0.209	S	C	*	.	H	α-helix	trans	-61.7	-44.5	176	-178.9	62.8	0	0	0	111.9	W412 L413 I414 V418 I419 Y420	W412-L416 PolarHBondContact O-N 3.21Å; L413-L416 PolarHBondContact O-N 2.8Å; I414-L416 VanDerWaalsContact C-N 3.35Å; I414-L416 PolarHBondContact O-N 2.73Å; L416-V418 VanDerWaalsContact C-N 3.34Å; L416-V418 PolarHBondContact O-N 3.45Å; L416-I419 PolarHBondContact O-N 3.47Å; L416-Y420 PolarHBondContact O-N 2.86Å
417	L	91.7	Very high	90.4	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-36	175.7	-68.7	172.7	0	0	0	112.6	L413 I414 Y420 T421 V459 M462 F463	L413-L417 HydrophobicContact CD2-CD1 3.61Å; L413-L417 HydrophobicContact CD2-CG 4.35Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 2.96Å; I414-L417 HydrophobicContact CD1-CD1 4.25Å; I414-L417 PolarHBondContact O-N 2.98Å; L417-Y420 WeakPolarHBondContact O-CB 3.46Å; L417-Y420 PolarHBondContact O-N 3.2Å; L417-T421 WeakPolarHBondContact O-CG2 3.41Å; L417-T421 PolarHBondContact O-N 2.86Å; L417-T421 PolarHBondContact O-OG1 2.88Å; L417-V459 HydrophobicContact CD2-CG1 4.46Å; L417-V459 HydrophobicContact CD2-CG2 3.95Å; L417-M462 HydrophobicContact CD1-CB 3.67Å; L417-M462 HydrophobicContact CD1-CE 4.47Å; L417-M462 HydrophobicContact CD1-CG 4.26Å; L417-F463 HydrophobicContact CB-CE2 4.13Å; L417-F463 HydrophobicContact CB-CZ 3.91Å
418	V	91.6	Very high	90.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-43.3	174.1	176.1	0	0	0	0	110.9	I414 L415 L416 Y420 T421 A422 F463 R531 L532 R534 V535	I414-V418 HydrophobicContact CG2-CG2 4.37Å; I414-V418 VanDerWaalsContact O-CG2 3.3Å; I414-V418 WeakPolarHBondContact O-CG2 3.27Å; I414-V418 PolarHBondContact O-N 3.03Å; L415-V418 PolarHBondContact O-N 3.49Å; L416-V418 VanDerWaalsContact C-N 3.34Å; L416-V418 PolarHBondContact O-N 3.45Å; V418-Y420 VanDerWaalsContact C-N 3.32Å; V418-Y420 PolarHBondContact O-N 3.15Å; V418-T421 WeakPolarHBondContact CA-OG1 3.45Å; V418-T421 PolarHBondContact O-N 3.05Å; V418-T421 VanDerWaalsContact O-N 3.16Å; V418-T421 PolarHBondContact O-OG1 3.29Å; V418-A422 WeakPolarHBondContact O-CB 3.48Å; V418-A422 PolarHBondContact O-N 3.05Å; V418-F463 HydrophobicContact CG2-CE1 3.67Å; V418-F463 HydrophobicContact CG2-CZ 3.65Å; V418-R531 HydrophobicContact CG1-CB 4.41Å; V418-R531 HydrophobicContact CG2-CB 4.27Å; V418-L532 HydrophobicContact CG1-CD2 3.67Å; V418-L532 HydrophobicContact CG1-CG 3.92Å; V418-R534 HydrophobicContact CG2-CB 4.49Å; V418-V535 HydrophobicContact CB-CG2 4.09Å; V418-V535 HydrophobicContact CG1-CG2 3.7Å; V418-V535 HydrophobicContact CG2-CG2 4.43Å
419	I	90.9	Very high	89.9	Confident	39 Å²	39	39 Å²	39	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-43.4	175.7	-67.6	166.1	0	0	0	110.4	L415 L416 T421 A422 V423	L415-I419 HydrophobicContact CD1-CD1 4.3Å; L415-I419 HydrophobicContact CG-CD1 4.16Å; L415-I419 WeakPolarHBondContact O-CG1 3.38Å; L415-I419 PolarHBondContact O-N 3.19Å; L416-I419 PolarHBondContact O-N 3.47Å; I419-T421 PolarHBondContact O-N 3.03Å; I419-A422 PolarHBondContact O-N 2.89Å; I419-V423 PolarHBondContact O-N 3.13Å; I419-V423 VanDerWaalsContact O-N 3.1Å
420	Y	92.6	Very high	89.7	Confident	43 Å²	43	35.4 Å²	35.4	17%	0.169	18%	0.18	C	C	.	.	H	α-helix	trans	-53.7	-53.9	171.4	171.9	-86.9	0	0	0	111.2	L416 L417 V418 A422 V423 F424 V455 D456 V459	L416-Y420 PolarHBondContact O-N 2.86Å; L417-Y420 WeakPolarHBondContact O-CB 3.46Å; L417-Y420 PolarHBondContact O-N 3.2Å; V418-Y420 VanDerWaalsContact C-N 3.32Å; V418-Y420 PolarHBondContact O-N 3.15Å; Y420-A422 PolarHBondContact O-N 3.34Å; Y420-V423 PolarHBondContact O-N 2.92Å; Y420-V423 VanDerWaalsContact O-N 3.11Å; Y420-F424 HydrophobicContact CD1-CD2 4.48Å; Y420-F424 AromaticContact CD2-CD2 3.38Å; Y420-F424 HydrophobicContact CD2-CD2 3.38Å; Y420-F424 AromaticContact CD2-CE2 3.53Å; Y420-F424 HydrophobicContact CD2-CE2 3.53Å; Y420-F424 HydrophobicContact CD2-CG 4.23Å; Y420-F424 HydrophobicContact CD2-CZ 4.47Å; Y420-F424 HydrophobicContact CE1-CB 4.25Å; Y420-F424 HydrophobicContact CE1-CD2 4.39Å; Y420-F424 HydrophobicContact CE1-CG 4.41Å; Y420-F424 HydrophobicContact CE2-CB 4.45Å; Y420-F424 HydrophobicContact CE2-CD1 4.27Å; Y420-F424 AromaticContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CE1 4.38Å; Y420-F424 AromaticContact CE2-CE2 3.44Å; Y420-F424 HydrophobicContact CE2-CE2 3.44Å; Y420-F424 VanDerWaalsContact CE2-CE2 3.44Å; Y420-F424 AromaticContact CE2-CG 3.74Å; Y420-F424 HydrophobicContact CE2-CG 3.74Å; Y420-F424 HydrophobicContact CE2-CZ 4Å; Y420-F424 AromaticContact CG-CD2 3.99Å; Y420-F424 HydrophobicContact CG-CD2 3.99Å; Y420-F424 AromaticContact CZ-CD2 3.83Å; Y420-F424 AromaticContact CZ-CG 3.82Å; Y420-F424 WeakPolarHBondContact O-CD2 3.48Å; Y420-F424 PolarHBondContact O-N 3.34Å; Y420-V455 HydrophobicContact CE1-CG1 4.42Å; Y420-V455 HydrophobicContact CE2-CG1 4.04Å; Y420-V455 WeakPolarHBondContact OH-CG1 3.17Å; Y420-D456 VanDerWaalsContact CE1-OD1 3.22Å; Y420-D456 WeakPolarHBondContact CE1-OD1 3.13Å; Y420-D456 PolarHBondContact OH-OD1 3.32Å; Y420-V459 HydrophobicContact CD1-CG1 4.21Å; Y420-V459 HydrophobicContact CD1-CG2 3.84Å; Y420-V459 HydrophobicContact CE1-CG1 4.48Å; Y420-V459 HydrophobicContact CE1-CG2 3.77Å
421	T	91	Very high	89.3	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-31.9	-180	57.8	0	0	0	0	113.3	L417 V418 I419 V423 T425 V459 F463	L417-T421 WeakPolarHBondContact O-CG2 3.41Å; L417-T421 PolarHBondContact O-N 2.86Å; L417-T421 PolarHBondContact O-OG1 2.88Å; V418-T421 WeakPolarHBondContact CA-OG1 3.45Å; V418-T421 PolarHBondContact O-N 3.05Å; V418-T421 VanDerWaalsContact O-N 3.16Å; V418-T421 PolarHBondContact O-OG1 3.29Å; I419-T421 PolarHBondContact O-N 3.03Å; T421-V423 VanDerWaalsContact C-N 3.35Å; T421-T425 WeakPolarHBondContact O-CB 3.37Å; T421-T425 PolarHBondContact O-N 3.13Å; T421-T425 PolarHBondContact O-OG1 3.04Å; T421-V459 HydrophobicContact CG2-CG1 3.66Å; T421-F463 HydrophobicContact CG2-CE2 3.88Å; T421-F463 HydrophobicContact CG2-CZ 4.49Å
422	A	91.8	Very high	88.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-74.5	-22.1	179.1	0	0	0	0	0	113.7	V418 I419 Y420 P426 L532 L559 W563	V418-A422 WeakPolarHBondContact O-CB 3.48Å; V418-A422 PolarHBondContact O-N 3.05Å; I419-A422 PolarHBondContact O-N 2.89Å; Y420-A422 PolarHBondContact O-N 3.34Å; A422-P426 WeakPolarHBondContact O-CD 3.26Å; A422-L532 HydrophobicContact CB-CD1 3.93Å; A422-L532 HydrophobicContact CB-CD2 3.97Å; A422-L532 HydrophobicContact CB-CG 4.26Å; A422-L559 HydrophobicContact CB-CD1 4.46Å; A422-L559 HydrophobicContact CB-CD2 3.82Å; A422-W563 HydrophobicContact CB-CZ2 4.38Å; A422-W563 PolarHBondContact O-NE1 3.31Å
423	V	92.8	Very high	87.4	Confident	44 Å²	44	34 Å²	34	27%	0.267	18%	0.182	S	C	.	.	H	α-helix	trans	-88.8	-52.1	171.4	177.1	0	0	0	0	110.7	I419 Y420 T421 P426 Y427 L559 H562	I419-V423 PolarHBondContact O-N 3.13Å; I419-V423 VanDerWaalsContact O-N 3.1Å; Y420-V423 PolarHBondContact O-N 2.92Å; Y420-V423 VanDerWaalsContact O-N 3.11Å; T421-V423 VanDerWaalsContact C-N 3.35Å; V423-P426 WeakPolarHBondContact O-CD 3.39Å; V423-Y427 WeakPolarHBondContact O-CB 3.24Å; V423-Y427 PolarHBondContact O-N 3.17Å; V423-L559 HydrophobicContact CG2-CD2 3.6Å; V423-H562 PolarHBondContact O-NE2 2.99Å
424	F	90	Very high	85.6	Confident	72 Å²	72	34 Å²	34	32%	0.316	18%	0.179	S	C	.	.	H	α-helix	trans	-76.2	-33.7	-170.1	-78	-92	0	0	0	113.5	Y420 Y427 S428 L452	Y420-F424 HydrophobicContact CD1-CD2 4.48Å; Y420-F424 AromaticContact CD2-CD2 3.38Å; Y420-F424 HydrophobicContact CD2-CD2 3.38Å; Y420-F424 AromaticContact CD2-CE2 3.53Å; Y420-F424 HydrophobicContact CD2-CE2 3.53Å; Y420-F424 HydrophobicContact CD2-CG 4.23Å; Y420-F424 HydrophobicContact CD2-CZ 4.47Å; Y420-F424 HydrophobicContact CE1-CB 4.25Å; Y420-F424 HydrophobicContact CE1-CD2 4.39Å; Y420-F424 HydrophobicContact CE1-CG 4.41Å; Y420-F424 HydrophobicContact CE2-CB 4.45Å; Y420-F424 HydrophobicContact CE2-CD1 4.27Å; Y420-F424 AromaticContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CE1 4.38Å; Y420-F424 AromaticContact CE2-CE2 3.44Å; Y420-F424 HydrophobicContact CE2-CE2 3.44Å; Y420-F424 VanDerWaalsContact CE2-CE2 3.44Å; Y420-F424 AromaticContact CE2-CG 3.74Å; Y420-F424 HydrophobicContact CE2-CG 3.74Å; Y420-F424 HydrophobicContact CE2-CZ 4Å; Y420-F424 AromaticContact CG-CD2 3.99Å; Y420-F424 HydrophobicContact CG-CD2 3.99Å; Y420-F424 AromaticContact CZ-CD2 3.83Å; Y420-F424 AromaticContact CZ-CG 3.82Å; Y420-F424 WeakPolarHBondContact O-CD2 3.48Å; Y420-F424 PolarHBondContact O-N 3.34Å; F424-Y427 PolarHBondContact O-N 3.33Å; F424-S428 WeakPolarHBondContact O-CB 3.19Å; F424-S428 PolarHBondContact O-N 3.15Å; F424-S428 PolarHBondContact O-OG 3.5Å; F424-S428 VanDerWaalsContact O-OG 3.06Å; F424-L452 HydrophobicContact CD1-CD1 3.94Å; F424-L452 HydrophobicContact CE1-CD1 4.08Å
425	T	87.8	Confident	83.6	Confident	10 Å²	10	39.7 Å²	39.7	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-50.2	-179.7	-45.8	0	0	0	0	112.5	T421 Y427 A429 K525 R528	T421-T425 WeakPolarHBondContact O-CB 3.37Å; T421-T425 PolarHBondContact O-N 3.13Å; T421-T425 PolarHBondContact O-OG1 3.04Å; T425-Y427 VanDerWaalsContact C-N 3.35Å; T425-Y427 PolarHBondContact O-N 3.44Å; T425-A429 WeakPolarHBondContact O-CB 3.44Å; T425-A429 PolarHBondContact O-N 3.12Å; T425-K525 VanDerWaalsContact CG2-O 3.25Å; T425-K525 WeakPolarHBondContact CG2-O 3.49Å; T425-R528 HydrophobicContact CG2-CB 4.1Å
426	P	90.3	Very high	81.7	Confident	18 Å²	18	44.8 Å²	44.8	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-34	177.9	-20.8	35.5	0	0	0	112.9	A422 V423 A430 L529 C566	A422-P426 WeakPolarHBondContact O-CD 3.26Å; V423-P426 WeakPolarHBondContact O-CD 3.39Å; P426-A430 VanDerWaalsContact O-CB 3.27Å; P426-A430 WeakPolarHBondContact O-CB 3.3Å; P426-A430 PolarHBondContact O-N 3.17Å; P426-L529 HydrophobicContact CG-CD1 4.44Å; P426-L529 HydrophobicContact CG-CD2 4.07Å; P426-C566 HydrophobicContact CB-CB 4.3Å
427	Y	89.8	Confident	79.6	Confident	57 Å²	57	46.8 Å²	46.8	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-50.7	175.8	176.7	-97	0	0	0	111.2	V423 F424 T425 A429 A430 F431 L432 Y611	V423-Y427 WeakPolarHBondContact O-CB 3.24Å; V423-Y427 PolarHBondContact O-N 3.17Å; F424-Y427 PolarHBondContact O-N 3.33Å; T425-Y427 VanDerWaalsContact C-N 3.35Å; T425-Y427 PolarHBondContact O-N 3.44Å; Y427-A429 PolarHBondContact O-N 3.39Å; Y427-A430 PolarHBondContact O-N 3.1Å; Y427-F431 HydrophobicContact CD2-CB 4.44Å; Y427-F431 AromaticContact CD2-CD2 3.69Å; Y427-F431 HydrophobicContact CD2-CD2 3.69Å; Y427-F431 HydrophobicContact CD2-CE2 4.26Å; Y427-F431 HydrophobicContact CD2-CG 4.24Å; Y427-F431 HydrophobicContact CE2-CB 4.16Å; Y427-F431 AromaticContact CE2-CD2 3.98Å; Y427-F431 HydrophobicContact CE2-CD2 3.98Å; Y427-F431 HydrophobicContact CE2-CG 4.07Å; Y427-F431 HydrophobicContact CG-CD2 4.43Å; Y427-F431 WeakPolarHBondContact O-CB 3.39Å; Y427-F431 PolarHBondContact O-N 3.23Å; Y427-L432 HydrophobicContact CD1-CD1 4.26Å; Y427-L432 HydrophobicContact CE1-CD1 3.94Å; Y427-L432 HydrophobicContact CE1-CG 4.13Å; Y427-Y611 HydrophobicContact CD2-CD2 4.03Å; Y427-Y611 HydrophobicContact CD2-CE2 4.12Å; Y427-Y611 HydrophobicContact CE2-CD2 4.09Å; Y427-Y611 HydrophobicContact CE2-CG 4.18Å
428	S	84.3	Confident	77.4	Confident	25 Å²	25	52 Å²	52	18%	0.175	27%	0.267	C	S	.	.	I	π-helix	trans	-64.3	-39.2	179.1	-60	0	0	0	0	112.3	F424 L432 L433	F424-S428 WeakPolarHBondContact O-CB 3.19Å; F424-S428 PolarHBondContact O-N 3.15Å; F424-S428 PolarHBondContact O-OG 3.5Å; F424-S428 VanDerWaalsContact O-OG 3.06Å; S428-L432 PolarHBondContact O-N 3.23Å; S428-L433 PolarHBondContact O-N 2.98Å
429	A	82.4	Confident	74.9	Confident	30 Å²	30	54 Å²	54	25%	0.248	29%	0.288	C	S	.	.	I	π-helix	trans	-67.9	-34	177.1	0	0	0	0	0	113.5	T425 Y427 L433	T425-A429 WeakPolarHBondContact O-CB 3.44Å; T425-A429 PolarHBondContact O-N 3.12Å; Y427-A429 PolarHBondContact O-N 3.39Å; A429-L433 VanDerWaalsContact O-CD1 3.29Å; A429-L433 WeakPolarHBondContact O-CD1 3.44Å
430	A	84.8	Confident	72.4	Confident	27 Å²	27	57.7 Å²	57.7	22%	0.223	31%	0.314	C	S	.	.	I	π-helix	trans	-90.6	-37.5	-178.2	0	0	0	0	0	114	P426 Y427 C566 Y569	P426-A430 VanDerWaalsContact O-CB 3.27Å; P426-A430 WeakPolarHBondContact O-CB 3.3Å; P426-A430 PolarHBondContact O-N 3.17Å; Y427-A430 PolarHBondContact O-N 3.1Å; A430-C566 HydrophobicContact CB-CB 3.94Å; A430-Y569 VanDerWaalsContact O-CE1 3.3Å; A430-Y569 WeakPolarHBondContact O-CE1 3.43Å
431	F	83	Confident	70	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.018	35%	0.347	C	S	.	.	I	π-helix	trans	-109.2	-27.6	-169.9	-67.2	-90.6	0	0	0	114.9	Y427 Y569 I607 K610 Y611	Y427-F431 HydrophobicContact CD2-CB 4.44Å; Y427-F431 AromaticContact CD2-CD2 3.69Å; Y427-F431 HydrophobicContact CD2-CD2 3.69Å; Y427-F431 HydrophobicContact CD2-CE2 4.26Å; Y427-F431 HydrophobicContact CD2-CG 4.24Å; Y427-F431 HydrophobicContact CE2-CB 4.16Å; Y427-F431 AromaticContact CE2-CD2 3.98Å; Y427-F431 HydrophobicContact CE2-CD2 3.98Å; Y427-F431 HydrophobicContact CE2-CG 4.07Å; Y427-F431 HydrophobicContact CG-CD2 4.43Å; Y427-F431 WeakPolarHBondContact O-CB 3.39Å; Y427-F431 PolarHBondContact O-N 3.23Å; F431-Y569 AromaticContact CD1-CD1 3.41Å; F431-Y569 HydrophobicContact CD1-CD1 3.41Å; F431-Y569 VanDerWaalsContact CD1-CD1 3.41Å; F431-Y569 AromaticContact CD1-CE1 3.49Å; F431-Y569 HydrophobicContact CD1-CE1 3.49Å; F431-Y569 VanDerWaalsContact CD1-CE1 3.49Å; F431-Y569 HydrophobicContact CD1-CG 4.01Å; F431-Y569 HydrophobicContact CD2-CD1 4.21Å; F431-Y569 AromaticContact CE1-CD1 3.25Å; F431-Y569 HydrophobicContact CE1-CD1 3.25Å; F431-Y569 AromaticContact CE1-CD2 3.92Å; F431-Y569 HydrophobicContact CE1-CD2 3.92Å; F431-Y569 AromaticContact CE1-CE1 3.75Å; F431-Y569 HydrophobicContact CE1-CE1 3.75Å; F431-Y569 HydrophobicContact CE1-CE2 4.38Å; F431-Y569 AromaticContact CE1-CG 3.36Å; F431-Y569 HydrophobicContact CE1-CG 3.36Å; F431-Y569 HydrophobicContact CE2-CD1 4.07Å; F431-Y569 HydrophobicContact CE2-CG 4.41Å; F431-Y569 AromaticContact CG-CD1 3.91Å; F431-Y569 HydrophobicContact CG-CD1 3.91Å; F431-Y569 HydrophobicContact CG-CE1 4.07Å; F431-Y569 AromaticContact CZ-CD1 3.6Å; F431-Y569 HydrophobicContact CZ-CD1 3.6Å; F431-Y569 HydrophobicContact CZ-CD2 4.47Å; F431-Y569 HydrophobicContact CZ-CE1 4.49Å; F431-Y569 AromaticContact CZ-CG 3.59Å; F431-Y569 HydrophobicContact CZ-CG 3.59Å; F431-I607 HydrophobicContact CB-CG2 4.26Å; F431-I607 HydrophobicContact CD1-CG2 4.12Å; F431-K610 HydrophobicContact CE1-CB 4.38Å; F431-Y611 HydrophobicContact CE1-CD2 4.49Å; F431-Y611 AromaticContact CE2-CD2 3.8Å; F431-Y611 HydrophobicContact CE2-CD2 3.8Å; F431-Y611 AromaticContact CZ-CD2 3.79Å; F431-Y611 HydrophobicContact CZ-CD2 3.79Å; F431-Y611 HydrophobicContact CZ-CG 4.41Å
432	L	73.6	Confident	67.6	Low	47 Å²	47	66 Å²	66	25%	0.246	38%	0.382	C	S	.	.	I	π-helix	trans	-101	-16.9	-171	-69.9	174.7	0	0	0	115	Y427 S428 K434 L452	Y427-L432 HydrophobicContact CD1-CD1 4.26Å; Y427-L432 HydrophobicContact CE1-CD1 3.94Å; Y427-L432 HydrophobicContact CE1-CG 4.13Å; S428-L432 PolarHBondContact O-N 3.23Å; L432-K434 VanDerWaalsContact C-N 3.26Å; L432-K434 PolarHBondContact O-N 3.31Å; L432-L452 HydrophobicContact CD1-CD2 3.89Å
433	L	64	Low	65.2	Low	64 Å²	64	72.1 Å²	72.1	34%	0.335	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.9	178	-67.7	179.7	0	0	0	112.3	S428 A429 T436	S428-L433 PolarHBondContact O-N 2.98Å; A429-L433 VanDerWaalsContact O-CD1 3.29Å; A429-L433 WeakPolarHBondContact O-CD1 3.44Å; L433-T436 WeakPolarHBondContact O-CB 3.44Å; L433-T436 PolarHBondContact O-N 3.04Å; L433-T436 PolarHBondContact O-OG1 3.39Å
434	K	54.8	Low	63.1	Low	72 Å²	72	79.4 Å²	79.4	31%	0.313	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-27.2	-173.1	-170.4	164.5	176.9	165.9	0	115.3	L432 T436 E437 E438 N573	L432-K434 VanDerWaalsContact C-N 3.26Å; L432-K434 PolarHBondContact O-N 3.31Å; K434-T436 PolarHBondContact O-N 2.92Å; K434-E437 PolarHBondContact O-N 2.99Å; K434-E438 WeakPolarHBondContact CE-OE1 3.41Å; K434-N573 PolarHBondContact NZ-OD1 3.45Å
435	E	49.9	Very low	61	Low	121 Å²	121	80.1 Å²	80.1	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-66.5	-20.2	176.4	-71.6	-165.9	135	0	0	112.6	E437 I607	E435-E437 VanDerWaalsContact C-N 3.35Å; E435-I607 HydrophobicContact CG-CD1 3.79Å; E435-I607 WeakPolarHBondContact OE1-CD1 3.18Å
436	T	47.7	Very low	59.1	Low	112 Å²	112	82 Å²	82	69%	0.687	49%	0.485	S	S	*	.	H	α-helix	trans	-72.4	-25.7	178.9	-35.3	0	0	0	0	112.9	L433 K434	L433-T436 WeakPolarHBondContact O-CB 3.44Å; L433-T436 PolarHBondContact O-N 3.04Å; L433-T436 PolarHBondContact O-OG1 3.39Å; K434-T436 PolarHBondContact O-N 2.92Å
437	E	47.7	Very low	57.2	Low	163 Å²	163	86.4 Å²	86.4	76%	0.762	50%	0.5	S	S	*	.	H	α-helix	trans	-88.5	-30.8	-179.9	-66.2	-170.9	112	0	0	113.4	K434 E435	K434-E437 PolarHBondContact O-N 2.99Å; E435-E437 VanDerWaalsContact C-N 3.35Å
438	E	44.5	Very low	55.3	Low	139 Å²	139	88 Å²	88	65%	0.65	52%	0.524	S	S	*	.	H	α-helix	trans	-96	-5.5	-170.9	-65.3	-177.4	-160	0	0	113.9	K434	K434-E438 WeakPolarHBondContact CE-OE1 3.41Å
439	G	40	Very low	53.9	Low	43 Å²	43	89.8 Å²	89.8	44%	0.443	54%	0.537	S	S	.	.	S	Bend	trans	-88.1	144	178.8	0	0	0	0	0	114.1
440	P	38.4	Very low	53.2	Low	116 Å²	116	94.6 Å²	94.6	75%	0.753	55%	0.554	S	S	*	*			trans	-64.2	147	168.8	29.4	-34.5	0	0	0	110.3	A442	P440-A442 PolarHBondContact O-N 2.89Å
441	P	41.6	Very low	53	Low	131 Å²	131	98 Å²	98	85%	0.851	57%	0.574	S	S	*	*			trans	-65.4	98.6	-175.1	25.9	-34.6	0	0	0	111.3	T443	P441-T443 PolarHBondContact O-N 3.31Å
442	A	40.9	Very low	52.8	Low	92 Å²	92	100.4 Å²	100.4	76%	0.76	59%	0.587	S	S	*	*			trans	-67	127.2	179.5	0	0	0	0	0	110.6	P440 E444	P440-A442 PolarHBondContact O-N 2.89Å; A442-E444 PolarHBondContact O-N 2.91Å
443	T	42	Very low	53.1	Low	128 Å²	128	100 Å²	100	79%	0.785	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	117.6	-170	-39.5	0	0	0	0	112.7	P441 C445	P441-T443 PolarHBondContact O-N 3.31Å; T443-C445 VanDerWaalsContact C-N 3.26Å; T443-C445 PolarHBondContact O-N 3.15Å
444	E	47.2	Very low	54	Low	196 Å²	196	99.9 Å²	99.9	92%	0.916	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	33	42.5	161.5	-60.5	-165.9	135	0	0	118.2	A442 G446	A442-E444 PolarHBondContact O-N 2.91Å; E444-G446 PolarHBondContact O-N 3.24Å
445	C	46.1	Very low	55.6	Low	87 Å²	87	99.5 Å²	99.5	59%	0.588	60%	0.595	S	S	*	*			trans	-92.5	97.1	172.2	-139.6	0	0	0	0	109.5	T443 C449	T443-C445 VanDerWaalsContact C-N 3.26Å; T443-C445 PolarHBondContact O-N 3.15Å; C445-C449 VanDerWaalsContact CA-SG 3.53Å; C445-C449 HydrophobicContact CB-CB 3.79Å; C445-C449 WeakPolarHBondContact CB-SG 3.33Å; C445-C449 WeakPolarHBondContact SG-CB 3.38Å; C445-C449 CovalentContact SG-SG 2.04Å; C445-C449 PolarHBondContact SG-SG 2.88Å
446	G	49	Very low	57.3	Low	51 Å²	51	94.9 Å²	94.9	53%	0.526	57%	0.574	S	S	.	*			trans	-62.4	173.1	-179	0	0	0	0	0	114.1	E444 A448 C449	E444-G446 PolarHBondContact O-N 3.24Å; G446-A448 PolarHBondContact O-N 3.02Å; G446-C449 PolarHBondContact O-N 3.49Å; G446-C449 PolarHBondContact O-SG 3.36Å; G446-C449 VanDerWaalsContact O-SG 3.35Å
447	Y	50.1	Low	59.1	Low	110 Å²	110	93.5 Å²	93.5	43%	0.431	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-38.4	-29.2	-175.4	-90.3	-87.1	0	0	0	117.4	C449 D509 L510 F513	Y447-C449 PolarHBondContact O-N 3.01Å; Y447-D509 PolarHBondContact OH-O 3.47Å; Y447-L510 HydrophobicContact CE1-CD2 4.43Å; Y447-F513 HydrophobicContact CD2-CZ 4.35Å; Y447-F513 HydrophobicContact CE1-CE2 4.48Å; Y447-F513 HydrophobicContact CE2-CD2 4Å; Y447-F513 HydrophobicContact CE2-CE1 4.22Å; Y447-F513 AromaticContact CE2-CE2 3.46Å; Y447-F513 HydrophobicContact CE2-CE2 3.46Å; Y447-F513 VanDerWaalsContact CE2-CE2 3.46Å; Y447-F513 AromaticContact CE2-CZ 3.59Å; Y447-F513 HydrophobicContact CE2-CZ 3.59Å; Y447-F513 AromaticContact CZ-CD2 3.91Å; Y447-F513 AromaticContact CZ-CE2 3.44Å; Y447-F513 VanDerWaalsContact CZ-CE2 3.44Å; Y447-F513 WeakPolarHBondContact OH-CD2 3.42Å; Y447-F513 WeakPolarHBondContact OH-CE2 3.44Å
448	A	48.6	Very low	61.1	Low	89 Å²	89	90.4 Å²	90.4	74%	0.736	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.5	177.4	0	0	0	0	0	114.6	G446	G446-A448 PolarHBondContact O-N 3.02Å
449	C	55.5	Low	63.4	Low	64 Å²	64	84 Å²	84	43%	0.432	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-78.3	-20.6	-173.8	-56.8	0	0	0	0	114.5	C445 G446 Y447 P451	C445-C449 VanDerWaalsContact CA-SG 3.53Å; C445-C449 HydrophobicContact CB-CB 3.79Å; C445-C449 WeakPolarHBondContact CB-SG 3.33Å; C445-C449 WeakPolarHBondContact SG-CB 3.38Å; C445-C449 CovalentContact SG-SG 2.04Å; C445-C449 PolarHBondContact SG-SG 2.88Å; G446-C449 PolarHBondContact O-N 3.49Å; G446-C449 PolarHBondContact O-SG 3.36Å; G446-C449 VanDerWaalsContact O-SG 3.35Å; Y447-C449 PolarHBondContact O-N 3.01Å; C449-P451 WeakPolarHBondContact O-CD 3.46Å
450	Q	68.6	Low	65.7	Low	130 Å²	130	82.1 Å²	82.1	61%	0.607	50%	0.5	S	S	*	.			trans	-104.2	100.3	-175.9	-163.9	75.1	-19.6	0	0	110.5	L452 A453 V454	Q450-L452 PolarHBondContact O-N 3.27Å; Q450-L452 VanDerWaalsContact O-N 3.12Å; Q450-A453 HydrophobicContact CB-CB 4.26Å; Q450-A453 HydrophobicContact CG-CB 4.5Å; Q450-A453 PolarHBondContact O-N 3.28Å; Q450-V454 PolarHBondContact O-N 2.99Å
451	P	80.4	Confident	68.2	Low	99 Å²	99	80.7 Å²	80.7	64%	0.643	49%	0.485	S	S	*	.	H	α-helix	trans	-62.4	-28.2	-170.1	22.9	-33.6	0	0	0	113.7	C449 V454 V455	C449-P451 WeakPolarHBondContact O-CD 3.46Å; P451-V454 PolarHBondContact O-N 3.44Å; P451-V455 WeakPolarHBondContact O-CG2 3.4Å; P451-V455 PolarHBondContact O-N 3.43Å
452	L	79.4	Confident	70.6	Confident	55 Å²	55	76.8 Å²	76.8	29%	0.288	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-40.4	175.5	-175.2	62.5	0	0	0	112.3	F424 L432 Q450 V454 V455 D456	F424-L452 HydrophobicContact CD1-CD1 3.94Å; F424-L452 HydrophobicContact CE1-CD1 4.08Å; L432-L452 HydrophobicContact CD1-CD2 3.89Å; Q450-L452 PolarHBondContact O-N 3.27Å; Q450-L452 VanDerWaalsContact O-N 3.12Å; L452-V454 VanDerWaalsContact C-N 3.32Å; L452-V454 PolarHBondContact O-N 3.02Å; L452-V455 PolarHBondContact O-N 3.26Å; L452-D456 PolarHBondContact O-N 3.43Å
453	A	77.9	Confident	73	Confident	38 Å²	38	72.4 Å²	72.4	31%	0.314	42%	0.42	S	S	.	.	H	α-helix	trans	-67.8	-34	178.7	0	0	0	0	0	112	Q450 D456 L457	Q450-A453 HydrophobicContact CB-CB 4.26Å; Q450-A453 HydrophobicContact CG-CB 4.5Å; Q450-A453 PolarHBondContact O-N 3.28Å; A453-D456 PolarHBondContact O-N 3.3Å; A453-L457 WeakPolarHBondContact O-CB 3.42Å; A453-L457 PolarHBondContact O-N 2.84Å
454	V	84.8	Confident	75.4	Confident	61 Å²	61	69.9 Å²	69.9	37%	0.37	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-40.5	173.6	-179.1	0	0	0	0	111	Q450 P451 L452 L457 I458	Q450-V454 PolarHBondContact O-N 2.99Å; P451-V454 PolarHBondContact O-N 3.44Å; L452-V454 VanDerWaalsContact C-N 3.32Å; L452-V454 PolarHBondContact O-N 3.02Å; V454-L457 PolarHBondContact O-N 2.9Å; V454-I458 HydrophobicContact CG1-CD1 4.13Å; V454-I458 WeakPolarHBondContact O-CD1 3.21Å; V454-I458 VanDerWaalsContact O-CG1 3.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.38Å; V454-I458 PolarHBondContact O-N 3.44Å; V454-I458 VanDerWaalsContact O-N 3.09Å
455	V	87.9	Confident	77.6	Confident	64 Å²	64	63 Å²	63	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-46.9	174.9	176.1	0	0	0	0	111.1	Y420 P451 L452 L457 I458 V459	Y420-V455 HydrophobicContact CE1-CG1 4.42Å; Y420-V455 HydrophobicContact CE2-CG1 4.04Å; Y420-V455 WeakPolarHBondContact OH-CG1 3.17Å; P451-V455 WeakPolarHBondContact O-CG2 3.4Å; P451-V455 PolarHBondContact O-N 3.43Å; L452-V455 PolarHBondContact O-N 3.26Å; V455-L457 VanDerWaalsContact C-N 3.3Å; V455-L457 PolarHBondContact O-N 3.41Å; V455-I458 PolarHBondContact O-N 2.92Å; V455-I458 VanDerWaalsContact O-N 3.14Å; V455-V459 HydrophobicContact CG1-CG2 4.23Å; V455-V459 WeakPolarHBondContact O-CG2 3.42Å; V455-V459 PolarHBondContact O-N 2.89Å
456	D	85.9	Confident	79.8	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.134	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177.9	-84.1	14.4	0	0	0	112.4	Y420 L452 A453 V459 D460 R528	Y420-D456 VanDerWaalsContact CE1-OD1 3.22Å; Y420-D456 WeakPolarHBondContact CE1-OD1 3.13Å; Y420-D456 PolarHBondContact OH-OD1 3.32Å; L452-D456 PolarHBondContact O-N 3.43Å; A453-D456 PolarHBondContact O-N 3.3Å; D456-V459 PolarHBondContact O-N 3.12Å; D456-D460 PolarHBondContact O-N 3.09Å; D456-R528 IonicContact OD2-NH1 3.17Å
457	L	85.4	Confident	81.8	Confident	82 Å²	82	57.2 Å²	57.2	43%	0.429	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-43.5	173.3	179.7	61.6	0	0	0	112.3	A453 V454 V455 V459 D460 I461 L510	A453-L457 WeakPolarHBondContact O-CB 3.42Å; A453-L457 PolarHBondContact O-N 2.84Å; V454-L457 PolarHBondContact O-N 2.9Å; V455-L457 VanDerWaalsContact C-N 3.3Å; V455-L457 PolarHBondContact O-N 3.41Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.4Å; L457-D460 PolarHBondContact O-N 2.95Å; L457-I461 HydrophobicContact CD1-CD1 4.28Å; L457-I461 HydrophobicContact CG-CD1 4.09Å; L457-I461 VanDerWaalsContact O-CG1 3.28Å; L457-I461 WeakPolarHBondContact O-CG1 3.15Å; L457-I461 PolarHBondContact O-N 3.39Å; L457-L510 HydrophobicContact CD1-CD1 4.45Å
458	I	89.8	Confident	83.8	Confident	98 Å²	98	57.2 Å²	57.2	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-41.5	175.4	-69.2	163.7	0	0	0	110.6	V454 V455 I461 M462	V454-I458 HydrophobicContact CG1-CD1 4.13Å; V454-I458 WeakPolarHBondContact O-CD1 3.21Å; V454-I458 VanDerWaalsContact O-CG1 3.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.38Å; V454-I458 PolarHBondContact O-N 3.44Å; V454-I458 VanDerWaalsContact O-N 3.09Å; V455-I458 PolarHBondContact O-N 2.92Å; V455-I458 VanDerWaalsContact O-N 3.14Å; I458-I461 PolarHBondContact O-N 3.14Å; I458-M462 VanDerWaalsContact O-CG 3.3Å; I458-M462 WeakPolarHBondContact O-CG 3.44Å; I458-M462 PolarHBondContact O-N 3.43Å
459	V	90.9	Very high	85.8	Confident	6 Å²	6	54 Å²	54	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-46.2	176.9	171.7	0	0	0	0	110.7	L417 Y420 T421 V455 D456 L457 M462 F463	L417-V459 HydrophobicContact CD2-CG1 4.46Å; L417-V459 HydrophobicContact CD2-CG2 3.95Å; Y420-V459 HydrophobicContact CD1-CG1 4.21Å; Y420-V459 HydrophobicContact CD1-CG2 3.84Å; Y420-V459 HydrophobicContact CE1-CG1 4.48Å; Y420-V459 HydrophobicContact CE1-CG2 3.77Å; T421-V459 HydrophobicContact CG2-CG1 3.66Å; V455-V459 HydrophobicContact CG1-CG2 4.23Å; V455-V459 WeakPolarHBondContact O-CG2 3.42Å; V455-V459 PolarHBondContact O-N 2.89Å; D456-V459 PolarHBondContact O-N 3.12Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.4Å; V459-M462 PolarHBondContact O-N 3.23Å; V459-F463 HydrophobicContact CG1-CD2 3.94Å; V459-F463 HydrophobicContact CG1-CE2 3.59Å; V459-F463 WeakPolarHBondContact O-CD2 3.49Å; V459-F463 PolarHBondContact O-N 2.89Å; V459-F463 VanDerWaalsContact O-N 3.12Å
460	D	89.6	Confident	87.4	Confident	3 Å²	3	52 Å²	52	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-44	177	-79.3	7.7	0	0	0	111.9	D456 L457 M462 F463 I464 R528 R531	D456-D460 PolarHBondContact O-N 3.09Å; L457-D460 PolarHBondContact O-N 2.95Å; D460-M462 VanDerWaalsContact C-N 3.32Å; D460-M462 PolarHBondContact O-N 3.4Å; D460-F463 PolarHBondContact O-N 3.43Å; D460-F463 VanDerWaalsContact O-N 3.14Å; D460-I464 WeakPolarHBondContact O-CG1 3.48Å; D460-I464 PolarHBondContact O-N 3.2Å; D460-I464 VanDerWaalsContact O-N 3.12Å; D460-R528 IonicContact OD1-NE 2.69Å; D460-R528 PolarHBondContact OD1-NE 3.12Å; D460-R528 IonicContact OD1-NH2 3.97Å; D460-R528 IonicContact OD2-CZ 2.74Å; D460-R528 IonicContact OD2-NE 2.7Å; D460-R528 PolarHBondContact OD2-NE 3.16Å; D460-R528 IonicContact OD2-NH2 2.78Å; D460-R528 PolarHBondContact OD2-NH2 2.79Å; D460-R531 IonicContact OD1-CZ 2.73Å; D460-R531 IonicContact OD1-NH1 2.94Å; D460-R531 PolarHBondContact OD1-NH1 3.49Å; D460-R531 IonicContact OD1-NH2 3.41Å; D460-R531 PolarHBondContact OD1-NH2 3.4Å; D460-R531 IonicContact OD2-NH2 3.44Å
461	I	90.9	Very high	88.5	Confident	86 Å²	86	47.8 Å²	47.8	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-43.4	173.9	-69.9	164.2	0	0	0	111.1	L457 I458 F463 I464 V465	L457-I461 HydrophobicContact CD1-CD1 4.28Å; L457-I461 HydrophobicContact CG-CD1 4.09Å; L457-I461 VanDerWaalsContact O-CG1 3.28Å; L457-I461 WeakPolarHBondContact O-CG1 3.15Å; L457-I461 PolarHBondContact O-N 3.39Å; I458-I461 PolarHBondContact O-N 3.14Å; I461-F463 VanDerWaalsContact C-N 3.31Å; I461-F463 PolarHBondContact O-N 3.38Å; I461-I464 WeakPolarHBondContact O-CB 3.34Å; I461-I464 PolarHBondContact O-N 2.92Å; I461-I464 VanDerWaalsContact O-N 3.16Å; I461-V465 WeakPolarHBondContact O-CG2 3.41Å; I461-V465 PolarHBondContact O-N 2.92Å
462	M	92	Very high	89	Confident	49 Å²	49	47.8 Å²	47.8	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-32	178.4	-70.2	-67.5	-76.6	0	0	112.8	W410 L413 L417 I458 V459 D460 V465 D466	W410-M462 HydrophobicContact CH2-CE 3.42Å; W410-M462 VanDerWaalsContact CH2-CE 3.42Å; W410-M462 HydrophobicContact CH2-SD 4.13Å; W410-M462 HydrophobicContact CZ2-CE 4.19Å; W410-M462 HydrophobicContact CZ3-CE 3.84Å; L413-M462 HydrophobicContact CD1-CE 4.49Å; L413-M462 HydrophobicContact CD2-CE 3.51Å; L417-M462 HydrophobicContact CD1-CB 3.67Å; L417-M462 HydrophobicContact CD1-CE 4.47Å; L417-M462 HydrophobicContact CD1-CG 4.26Å; I458-M462 VanDerWaalsContact O-CG 3.3Å; I458-M462 WeakPolarHBondContact O-CG 3.44Å; I458-M462 PolarHBondContact O-N 3.43Å; V459-M462 PolarHBondContact O-N 3.23Å; D460-M462 VanDerWaalsContact C-N 3.32Å; D460-M462 PolarHBondContact O-N 3.4Å; M462-V465 PolarHBondContact O-N 3.18Å; M462-D466 PolarHBondContact O-N 3.37Å
463	F	91.7	Very high	89.5	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.5	-30.3	172.9	-78.3	-66.6	0	0	0	113.7	I414 L417 V418 T421 V459 D460 I461 I467 R531 R534	I414-F463 HydrophobicContact CG2-CE1 4.17Å; L417-F463 HydrophobicContact CB-CE2 4.13Å; L417-F463 HydrophobicContact CB-CZ 3.91Å; V418-F463 HydrophobicContact CG2-CE1 3.67Å; V418-F463 HydrophobicContact CG2-CZ 3.65Å; T421-F463 HydrophobicContact CG2-CE2 3.88Å; T421-F463 HydrophobicContact CG2-CZ 4.49Å; V459-F463 HydrophobicContact CG1-CD2 3.94Å; V459-F463 HydrophobicContact CG1-CE2 3.59Å; V459-F463 WeakPolarHBondContact O-CD2 3.49Å; V459-F463 PolarHBondContact O-N 2.89Å; V459-F463 VanDerWaalsContact O-N 3.12Å; D460-F463 PolarHBondContact O-N 3.43Å; D460-F463 VanDerWaalsContact O-N 3.14Å; I461-F463 VanDerWaalsContact C-N 3.31Å; I461-F463 PolarHBondContact O-N 3.38Å; F463-I467 WeakPolarHBondContact O-CG1 3.23Å; F463-I467 PolarHBondContact O-N 3.49Å; F463-R531 HydrophobicContact CE1-CB 4.44Å; F463-R531 HydrophobicContact CE1-CG 4.36Å; F463-R531 HydrophobicContact CE2-CG 4.49Å; F463-R531 HydrophobicContact CZ-CB 4.38Å; F463-R531 HydrophobicContact CZ-CG 4.33Å; F463-R534 PolarHBondContact O-NH1 3.34Å
464	I	91.4	Very high	90.1	Very high	74 Å²	74	44.3 Å²	44.3	38%	0.379	23%	0.23	S	C	.	.	H	α-helix	trans	-68.9	-43.7	170.6	-63.6	166.9	0	0	0	110.1	D460 I461 D466 I467 L468 A505	D460-I464 WeakPolarHBondContact O-CG1 3.48Å; D460-I464 PolarHBondContact O-N 3.2Å; D460-I464 VanDerWaalsContact O-N 3.12Å; I461-I464 WeakPolarHBondContact O-CB 3.34Å; I461-I464 PolarHBondContact O-N 2.92Å; I461-I464 VanDerWaalsContact O-N 3.16Å; I464-D466 VanDerWaalsContact C-N 3.31Å; I464-D466 PolarHBondContact O-N 2.96Å; I464-I467 WeakPolarHBondContact O-CB 3.33Å; I464-I467 PolarHBondContact O-N 2.85Å; I464-I467 VanDerWaalsContact O-N 3.12Å; I464-L468 PolarHBondContact O-N 2.99Å; I464-A505 HydrophobicContact CG1-CB 4.17Å
465	V	92.8	Very high	90.2	Very high	51 Å²	51	43.7 Å²	43.7	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-38	175	174.4	0	0	0	0	111.6	W410 I461 M462 I467 L468 I469	W410-V465 HydrophobicContact CH2-CB 4.49Å; W410-V465 HydrophobicContact CH2-CG1 3.75Å; W410-V465 HydrophobicContact CZ2-CB 4.41Å; W410-V465 HydrophobicContact CZ2-CG1 3.85Å; I461-V465 WeakPolarHBondContact O-CG2 3.41Å; I461-V465 PolarHBondContact O-N 2.92Å; M462-V465 PolarHBondContact O-N 3.18Å; V465-I467 VanDerWaalsContact C-N 3.32Å; V465-I467 PolarHBondContact O-N 3.05Å; V465-L468 PolarHBondContact O-N 2.86Å; V465-I469 HydrophobicContact CG1-CD1 3.87Å; V465-I469 HydrophobicContact CG1-CG1 4.43Å; V465-I469 WeakPolarHBondContact O-CG1 3.41Å; V465-I469 PolarHBondContact O-N 3.1Å
466	D	92.5	Very high	90	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-36.6	173.8	-171.5	63.3	0	0	0	112.7	W410 I414 M462 I464 I469 N470 R534	W410-D466 PolarHBondContact NE1-OD1 3.25Å; I414-D466 HydrophobicContact CD1-CB 3.7Å; I414-D466 HydrophobicContact CG1-CB 4.37Å; M462-D466 PolarHBondContact O-N 3.37Å; I464-D466 VanDerWaalsContact C-N 3.31Å; I464-D466 PolarHBondContact O-N 2.96Å; D466-I469 PolarHBondContact O-N 3.3Å; D466-N470 WeakPolarHBondContact O-CB 3.44Å; D466-N470 PolarHBondContact O-N 2.91Å; D466-N470 PolarHBondContact O-ND2 2.98Å; D466-N470 PolarHBondContact OD2-ND2 3.05Å; D466-N470 VanDerWaalsContact OD2-ND2 3.09Å; D466-R534 IonicContact OD2-CZ 3.49Å; D466-R534 IonicContact OD2-NH1 2.79Å; D466-R534 PolarHBondContact OD2-NH1 3.41Å
467	I	91.8	Very high	89.8	Confident	17 Å²	17	44.7 Å²	44.7	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-46.7	174.2	-66.1	167.6	0	0	0	110.5	F463 I464 V465 I469 N470 F471 Y493 F498 D501 A505	F463-I467 WeakPolarHBondContact O-CG1 3.23Å; F463-I467 PolarHBondContact O-N 3.49Å; I464-I467 WeakPolarHBondContact O-CB 3.33Å; I464-I467 PolarHBondContact O-N 2.85Å; I464-I467 VanDerWaalsContact O-N 3.12Å; V465-I467 VanDerWaalsContact C-N 3.32Å; V465-I467 PolarHBondContact O-N 3.05Å; I467-I469 VanDerWaalsContact C-N 3.32Å; I467-I469 PolarHBondContact O-N 2.9Å; I467-N470 PolarHBondContact O-N 3.46Å; I467-F471 HydrophobicContact CG2-CD2 3.93Å; I467-F471 HydrophobicContact CG2-CE2 3.73Å; I467-F471 VanDerWaalsContact O-CD2 3.3Å; I467-F471 WeakPolarHBondContact O-CD2 3.1Å; I467-F471 PolarHBondContact O-N 3.05Å; I467-Y493 HydrophobicContact CG2-CE1 4.27Å; I467-F498 HydrophobicContact CG2-CD2 4.45Å; I467-F498 HydrophobicContact CG2-CE2 4.25Å; I467-D501 WeakPolarHBondContact CD1-O 3.34Å; I467-D501 HydrophobicContact CG1-CB 4.28Å; I467-A505 HydrophobicContact CD1-CB 3.61Å
468	L	91.6	Very high	89.5	Confident	110 Å²	110	45.4 Å²	45.4	58%	0.576	24%	0.243	S	C	*	.	H	α-helix	trans	-62.2	-38.3	177.6	-62.8	176.3	0	0	0	112.1	I464 V465	I464-L468 PolarHBondContact O-N 2.99Å; V465-L468 PolarHBondContact O-N 2.86Å
469	I	91.1	Very high	88.9	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-45.3	173.2	-73.5	168.6	0	0	0	110.6	I400 K407 W410 V465 D466 I467 F471 R472 T473	I400-I469 HydrophobicContact CD1-CG2 4.27Å; K407-I469 HydrophobicContact CD-CG2 4.2Å; W410-I469 HydrophobicContact CD2-CD1 3.85Å; W410-I469 VanDerWaalsContact CE2-CD1 3.42Å; W410-I469 HydrophobicContact CE3-CD1 4.28Å; W410-I469 HydrophobicContact CG-CD1 4.45Å; W410-I469 HydrophobicContact CH2-CD1 3.99Å; W410-I469 HydrophobicContact CZ2-CD1 3.52Å; W410-I469 HydrophobicContact CZ3-CD1 4.34Å; V465-I469 HydrophobicContact CG1-CD1 3.87Å; V465-I469 HydrophobicContact CG1-CG1 4.43Å; V465-I469 WeakPolarHBondContact O-CG1 3.41Å; V465-I469 PolarHBondContact O-N 3.1Å; D466-I469 PolarHBondContact O-N 3.3Å; I467-I469 VanDerWaalsContact C-N 3.32Å; I467-I469 PolarHBondContact O-N 2.9Å; I469-F471 VanDerWaalsContact C-N 3.32Å; I469-F471 PolarHBondContact O-N 3.21Å; I469-R472 CarbonylContact O-C 3.6Å; I469-R472 WeakPolarHBondContact O-CA 3.44Å; I469-R472 PolarHBondContact O-N 3.23Å; I469-T473 HydrophobicContact CG2-CG2 3.9Å; I469-T473 VanDerWaalsContact O-CG2 3.29Å; I469-T473 WeakPolarHBondContact O-CG2 3.47Å; I469-T473 PolarHBondContact O-N 3.18Å
470	N	89.8	Confident	87.9	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.118	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-38.2	-179.5	-69.6	-36	0	0	0	111.9	D466 I467 R472 T473 Y493	D466-N470 WeakPolarHBondContact O-CB 3.44Å; D466-N470 PolarHBondContact O-N 2.91Å; D466-N470 PolarHBondContact O-ND2 2.98Å; D466-N470 PolarHBondContact OD2-ND2 3.05Å; D466-N470 VanDerWaalsContact OD2-ND2 3.09Å; I467-N470 PolarHBondContact O-N 3.46Å; N470-R472 PolarHBondContact O-N 3.09Å; N470-T473 WeakPolarHBondContact CA-OG1 3.38Å; N470-T473 PolarHBondContact O-N 3.42Å; N470-T473 PolarHBondContact O-OG1 2.66Å; N470-Y493 HydrophobicContact CB-CE1 4.13Å; N470-Y493 HydrophobicContact CB-CE2 4.48Å
471	F	91	Very high	87.2	Confident	41 Å²	41	53 Å²	53	18%	0.18	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.6	170.7	-85.1	-68.4	0	0	0	114.6	I467 I469 I489 A490 Y493 F494 F498	I467-F471 HydrophobicContact CG2-CD2 3.93Å; I467-F471 HydrophobicContact CG2-CE2 3.73Å; I467-F471 VanDerWaalsContact O-CD2 3.3Å; I467-F471 WeakPolarHBondContact O-CD2 3.1Å; I467-F471 PolarHBondContact O-N 3.05Å; I469-F471 VanDerWaalsContact C-N 3.32Å; I469-F471 PolarHBondContact O-N 3.21Å; F471-I489 WeakPolarHBondContact O-CG2 3.1Å; F471-A490 HydrophobicContact CD1-CB 4.09Å; F471-A490 HydrophobicContact CE1-CB 4.17Å; F471-Y493 AromaticContact CD1-CD1 3.87Å; F471-Y493 HydrophobicContact CD1-CD1 3.87Å; F471-Y493 HydrophobicContact CD2-CD1 4.12Å; F471-Y493 HydrophobicContact CD2-CE1 4.06Å; F471-Y493 AromaticContact CE1-CD1 3.72Å; F471-Y493 HydrophobicContact CE1-CD1 3.72Å; F471-Y493 HydrophobicContact CE1-CE1 4.48Å; F471-Y493 AromaticContact CE2-CD1 3.98Å; F471-Y493 HydrophobicContact CE2-CD1 3.98Å; F471-Y493 AromaticContact CE2-CE1 3.92Å; F471-Y493 HydrophobicContact CE2-CE1 3.92Å; F471-Y493 HydrophobicContact CG-CD1 4.06Å; F471-Y493 HydrophobicContact CG-CE1 4.4Å; F471-Y493 AromaticContact CZ-CD1 3.78Å; F471-Y493 HydrophobicContact CZ-CD1 3.78Å; F471-Y493 HydrophobicContact CZ-CE1 4.14Å; F471-F494 HydrophobicContact CE1-CD2 4.13Å; F471-F494 AromaticContact CE1-CE2 3.67Å; F471-F494 HydrophobicContact CE1-CE2 3.67Å; F471-F494 AromaticContact CE1-CZ 3.88Å; F471-F494 HydrophobicContact CE1-CZ 3.88Å; F471-F494 HydrophobicContact CZ-CE1 4.08Å; F471-F494 HydrophobicContact CZ-CE2 4.01Å; F471-F494 AromaticContact CZ-CZ 3.71Å; F471-F494 HydrophobicContact CZ-CZ 3.71Å; F471-F498 AromaticContact CE2-CD2 3.76Å; F471-F498 HydrophobicContact CE2-CD2 3.76Å; F471-F498 AromaticContact CE2-CE2 3.71Å; F471-F498 HydrophobicContact CE2-CE2 3.71Å; F471-F498 AromaticContact CZ-CD2 3.55Å; F471-F498 HydrophobicContact CZ-CD2 3.55Å; F471-F498 AromaticContact CZ-CE2 3.69Å; F471-F498 HydrophobicContact CZ-CE2 3.69Å; F471-F498 HydrophobicContact CZ-CG 4.38Å
472	R	90.3	Very high	86.7	Confident	99 Å²	99	50.8 Å²	50.8	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-2.2	177.5	-64.4	-56.8	-169	118.1	-6.1	113.8	W398 I400 I469 N470	W398-R472 WeakPolarHBondContact O-CD 3.28Å; W398-R472 PolarHBondContact O-NH1 3.12Å; I400-R472 PolarHBondContact N-O 3.36Å; I469-R472 CarbonylContact O-C 3.6Å; I469-R472 WeakPolarHBondContact O-CA 3.44Å; I469-R472 PolarHBondContact O-N 3.23Å; N470-R472 PolarHBondContact O-N 3.09Å
473	T	90.4	Very high	86.3	Confident	18 Å²	18	49.2 Å²	49.2	11%	0.11	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-85.3	133.6	178.1	53.9	0	0	0	0	112.6	I400 K407 I469 N470 I489	I400-T473 HydrophobicContact CB-CG2 4.05Å; I400-T473 HydrophobicContact CG2-CG2 4.08Å; I400-T473 CarbonylContact O-C 3.53Å; I400-T473 VanDerWaalsContact O-CA 3.24Å; I400-T473 WeakPolarHBondContact O-CA 3.42Å; K407-T473 HydrophobicContact CD-CG2 3.96Å; K407-T473 HydrophobicContact CG-CG2 4.43Å; I469-T473 HydrophobicContact CG2-CG2 3.9Å; I469-T473 VanDerWaalsContact O-CG2 3.29Å; I469-T473 WeakPolarHBondContact O-CG2 3.47Å; I469-T473 PolarHBondContact O-N 3.18Å; N470-T473 WeakPolarHBondContact CA-OG1 3.38Å; N470-T473 PolarHBondContact O-N 3.42Å; N470-T473 PolarHBondContact O-OG1 2.66Å; T473-I489 WeakPolarHBondContact O-CG2 3.47Å
474	T	89.8	Confident	85.8	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.018	27%	0.274	C	S	.	.			trans	-68.3	146	174.8	67.7	0	0	0	0	111.2	I400 L401 H402 V483	I400-T474 PolarHBondContact O-N 3.27Å; L401-T474 HydrophobicContact CD1-CG2 4.08Å; H402-T474 VanDerWaalsContact CB-O 3.31Å; H402-T474 WeakPolarHBondContact CB-O 3.31Å; H402-T474 PolarHBondContact N-OG1 2.93Å; H402-T474 PolarHBondContact ND1-O 2.91Å; H402-T474 PolarHBondContact ND1-OG1 3.24Å; T474-V483 WeakPolarHBondContact CA-O 3.41Å; T474-V483 VanDerWaalsContact CB-O 3.26Å; T474-V483 WeakPolarHBondContact CB-O 3.29Å
475	Y	86.6	Confident	85.4	Confident	47 Å²	47	52.5 Å²	52.5	18%	0.184	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	162	173.4	73.3	-83.3	0	0	0	111.1	N477 V483 I489 H492	Y475-N477 HydrophobicContact CE2-CB 4.38Å; Y475-V483 HydrophobicContact CD1-CB 4.13Å; Y475-V483 HydrophobicContact CD1-CG1 4.49Å; Y475-V483 HydrophobicContact CE1-CB 3.67Å; Y475-V483 HydrophobicContact CE1-CG1 3.7Å; Y475-V483 HydrophobicContact CE1-CG2 4.28Å; Y475-V483 HydrophobicContact CE2-CB 4.4Å; Y475-V483 HydrophobicContact CE2-CG2 4.22Å; Y475-V483 PolarHBondContact N-O 3.37Å; Y475-V483 PolarHBondContact O-N 2.91Å; Y475-I489 HydrophobicContact CD1-CG1 4.03Å; Y475-I489 HydrophobicContact CE1-CG1 4.14Å; Y475-H492 AromaticContact CD2-CD2 3.91Å; Y475-H492 AromaticContact CD2-NE2 3.92Å; Y475-H492 HydrophobicContact CE1-CB 3.9Å; Y475-H492 HydrophobicContact CE2-CB 4.46Å; Y475-H492 AromaticContact CE2-CG 3.9Å; Y475-H492 AromaticContact CE2-ND1 3.94Å; Y475-H492 AromaticContact CG-CD2 3.97Å; Y475-H492 AromaticContact CZ-CG 3.8Å
476	V	85.1	Confident	85.1	Confident	52 Å²	52	52.1 Å²	52.1	32%	0.315	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.2	172.7	-176.9	0	0	0	0	108	V482	V476-V482 HydrophobicContact CG2-CG2 4.44Å
477	N	81.6	Confident	84.9	Confident	58 Å²	58	54.5 Å²	54.5	31%	0.31	30%	0.304	S	S	.	.			trans	-78.2	168.3	177.9	-168.1	24.3	0	0	0	111.2	Y475 N479 E480 E481 V483	Y475-N477 HydrophobicContact CE2-CB 4.38Å; N477-N479 PolarHBondContact O-N 3.24Å; N477-N479 VanDerWaalsContact O-N 3.12Å; N477-E480 WeakPolarHBondContact O-CA 2.93Å; N477-E480 PolarHBondContact O-N 3.1Å; N477-E481 PolarHBondContact N-O 3.04Å; N477-V483 HydrophobicContact CB-CG2 4.1Å
478	A	79.6	Confident	84.6	Confident	97 Å²	97	61.5 Å²	61.5	80%	0.802	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.4	175.1	0	0	0	0	0	113.6	E480	A478-E480 PolarHBondContact O-N 3.13Å
479	N	75.6	Confident	84.6	Confident	109 Å²	109	56.5 Å²	56.5	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	6.9	172.9	-56.7	-4	0	0	0	113.7	N477 E481	N477-N479 PolarHBondContact O-N 3.24Å; N477-N479 VanDerWaalsContact O-N 3.12Å; N479-E481 HydrophobicContact CB-CG 3.99Å; N479-E481 WeakPolarHBondContact CB-OE2 3.43Å; N479-E481 PolarHBondContact ND2-OE2 2.93Å; N479-E481 PolarHBondContact O-N 3.48Å; N479-E481 VanDerWaalsContact O-N 3.1Å
480	E	69.9	Low	84.5	Confident	86 Å²	86	56.5 Å²	56.5	40%	0.402	31%	0.306	S	S	.	.	S	Bend	trans	58.1	11.6	-168.5	-56.9	-158.3	133.7	0	0	115.8	R4 G6 H7 N477 A478	R4-E480 IonicContact CZ-OE1 2.67Å; R4-E480 IonicContact NH1-OE1 3.74Å; R4-E480 PolarHBondContact NH1-OE1 2.88Å; G6-E480 CarbonylContact C-O 3.55Å; G6-E480 VanDerWaalsContact C-O 3.27Å; G6-E480 WeakPolarHBondContact CA-O 3.29Å; H7-E480 PolarHBondContact N-O 3.41Å; N477-E480 WeakPolarHBondContact O-CA 2.93Å; N477-E480 PolarHBondContact O-N 3.1Å; A478-E480 PolarHBondContact O-N 3.13Å
481	E	75.4	Confident	84.6	Confident	72 Å²	72	60.4 Å²	60.4	34%	0.336	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-80.1	140.6	174.3	-61.6	174.2	116.6	0	0	112.3	N477 N479	N477-E481 PolarHBondContact N-O 3.04Å; N479-E481 HydrophobicContact CB-CG 3.99Å; N479-E481 WeakPolarHBondContact CB-OE2 3.43Å; N479-E481 PolarHBondContact ND2-OE2 2.93Å; N479-E481 PolarHBondContact O-N 3.48Å; N479-E481 VanDerWaalsContact O-N 3.1Å
482	V	80.9	Confident	84.5	Confident	40 Å²	40	63.3 Å²	63.3	24%	0.242	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.8	175.2	-176.9	0	0	0	0	111.3	G6 V476	G6-V482 WeakPolarHBondContact O-CG2 3.33Å; V476-V482 HydrophobicContact CG2-CG2 4.44Å
483	V	83.6	Confident	84.5	Confident	15 Å²	15	59.6 Å²	59.6	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.3	179	-179.1	0	0	0	0	110.9	T474 Y475 N477 R488	T474-V483 WeakPolarHBondContact CA-O 3.41Å; T474-V483 VanDerWaalsContact CB-O 3.26Å; T474-V483 WeakPolarHBondContact CB-O 3.29Å; Y475-V483 HydrophobicContact CD1-CB 4.13Å; Y475-V483 HydrophobicContact CD1-CG1 4.49Å; Y475-V483 HydrophobicContact CE1-CB 3.67Å; Y475-V483 HydrophobicContact CE1-CG1 3.7Å; Y475-V483 HydrophobicContact CE1-CG2 4.28Å; Y475-V483 HydrophobicContact CE2-CB 4.4Å; Y475-V483 HydrophobicContact CE2-CG2 4.22Å; Y475-V483 PolarHBondContact N-O 3.37Å; Y475-V483 PolarHBondContact O-N 2.91Å; N477-V483 HydrophobicContact CB-CG2 4.1Å; V483-R488 HydrophobicContact CG1-CB 3.74Å
484	S	82.1	Confident	84.6	Confident	31 Å²	31	64.4 Å²	64.4	22%	0.217	35%	0.35	C	S	.	.			trans	-109.8	-19.8	-175.4	57.2	0	0	0	0	115.6	I489	S484-I489 WeakPolarHBondContact O-CD1 3.38Å
485	H	82.8	Confident	84.5	Confident	112 Å²	112	73.5 Å²	73.5	52%	0.519	39%	0.389	S	S	.	.			trans	-73.3	127.1	-174.6	-65.6	-89.9	0	0	0	112	G487 R488 I489	H485-G487 VanDerWaalsContact C-N 3.33Å; H485-G487 PolarHBondContact O-N 3.35Å; H485-R488 HydrophobicContact CB-CG 4.47Å; H485-R488 PolarHBondContact O-N 2.62Å; H485-R488 VanDerWaalsContact O-N 3.07Å; H485-I489 WeakPolarHBondContact O-CG1 3.23Å; H485-I489 PolarHBondContact O-N 3.47Å; H485-I489 VanDerWaalsContact O-N 3.1Å
486	P	85.8	Confident	84.5	Confident	43 Å²	43	73.3 Å²	73.3	28%	0.279	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-36	-172.2	22.7	-33.3	0	0	0	113.5	R488 I489 A490	P486-R488 PolarHBondContact O-N 3.34Å; P486-I489 PolarHBondContact O-N 3.27Å; P486-A490 WeakPolarHBondContact O-CB 3.42Å; P486-A490 PolarHBondContact O-N 2.86Å
487	G	87.4	Confident	84.5	Confident	51 Å²	51	76.6 Å²	76.6	53%	0.526	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-37.4	176	0	0	0	0	0	113.7	H485 V491	H485-G487 VanDerWaalsContact C-N 3.33Å; H485-G487 PolarHBondContact O-N 3.35Å; G487-V491 WeakPolarHBondContact O-CG2 3.28Å; G487-V491 PolarHBondContact O-N 3.23Å; G487-V491 VanDerWaalsContact O-N 3.13Å
488	R	87.1	Confident	84.9	Confident	164 Å²	164	75.7 Å²	75.7	62%	0.619	40%	0.402	S	S	*	.	H	α-helix	trans	-72.8	-39.7	176.1	-65.3	-172.9	-176.5	-179.8	3.4	111.4	V483 H485 P486 H492	V483-R488 HydrophobicContact CG1-CB 3.74Å; H485-R488 HydrophobicContact CB-CG 4.47Å; H485-R488 PolarHBondContact O-N 2.62Å; H485-R488 VanDerWaalsContact O-N 3.07Å; P486-R488 PolarHBondContact O-N 3.34Å; R488-H492 WeakPolarHBondContact O-CB 3.24Å; R488-H492 PolarHBondContact O-N 3.41Å
489	I	90.5	Very high	85.3	Confident	5 Å²	5	76.3 Å²	76.3	3%	0.026	39%	0.392	C	S	.	.	H	α-helix	trans	-59.7	-47.5	173.9	-63.4	164.4	0	0	0	110.3	F471 T473 Y475 S484 H485 P486 H492 Y493	F471-I489 WeakPolarHBondContact O-CG2 3.1Å; T473-I489 WeakPolarHBondContact O-CG2 3.47Å; Y475-I489 HydrophobicContact CD1-CG1 4.03Å; Y475-I489 HydrophobicContact CE1-CG1 4.14Å; S484-I489 WeakPolarHBondContact O-CD1 3.38Å; H485-I489 WeakPolarHBondContact O-CG1 3.23Å; H485-I489 PolarHBondContact O-N 3.47Å; H485-I489 VanDerWaalsContact O-N 3.1Å; P486-I489 PolarHBondContact O-N 3.27Å; I489-H492 PolarHBondContact O-N 3.29Å; I489-Y493 WeakPolarHBondContact O-CB 3.25Å; I489-Y493 PolarHBondContact O-N 3.09Å
490	A	90.3	Very high	85.8	Confident	22 Å²	22	74 Å²	74	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-50.7	178.7	0	0	0	0	0	112.3	F471 P486 H492 Y493 F494	F471-A490 HydrophobicContact CD1-CB 4.09Å; F471-A490 HydrophobicContact CE1-CB 4.17Å; P486-A490 WeakPolarHBondContact O-CB 3.42Å; P486-A490 PolarHBondContact O-N 2.86Å; A490-H492 VanDerWaalsContact C-N 3.29Å; A490-H492 PolarHBondContact O-N 3.24Å; A490-Y493 PolarHBondContact O-N 3.44Å; A490-Y493 VanDerWaalsContact O-N 3.15Å; A490-F494 HydrophobicContact CB-CD2 4.31Å; A490-F494 HydrophobicContact CB-CE2 4.33Å; A490-F494 WeakPolarHBondContact O-CB 3.24Å; A490-F494 WeakPolarHBondContact O-CD2 3.18Å; A490-F494 PolarHBondContact O-N 3.01Å
491	V	90.7	Very high	86.7	Confident	104 Å²	104	70 Å²	70	63%	0.63	36%	0.36	S	S	*	.	H	α-helix	trans	-60	-39.1	178.4	171.4	0	0	0	0	111.8	G487 K495	G487-V491 WeakPolarHBondContact O-CG2 3.28Å; G487-V491 PolarHBondContact O-N 3.23Å; G487-V491 VanDerWaalsContact O-N 3.13Å; V491-K495 WeakPolarHBondContact O-CB 3.43Å; V491-K495 PolarHBondContact O-N 2.92Å
492	H	89.4	Confident	87.3	Confident	102 Å²	102	70.2 Å²	70.2	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-43.9	174.9	-177.9	74.6	0	0	0	112.1	Y475 R488 I489 A490 G496	Y475-H492 AromaticContact CD2-CD2 3.91Å; Y475-H492 AromaticContact CD2-NE2 3.92Å; Y475-H492 HydrophobicContact CE1-CB 3.9Å; Y475-H492 HydrophobicContact CE2-CB 4.46Å; Y475-H492 AromaticContact CE2-CG 3.9Å; Y475-H492 AromaticContact CE2-ND1 3.94Å; Y475-H492 AromaticContact CG-CD2 3.97Å; Y475-H492 AromaticContact CZ-CG 3.8Å; R488-H492 WeakPolarHBondContact O-CB 3.24Å; R488-H492 PolarHBondContact O-N 3.41Å; I489-H492 PolarHBondContact O-N 3.29Å; A490-H492 VanDerWaalsContact C-N 3.29Å; A490-H492 PolarHBondContact O-N 3.24Å; H492-G496 PolarHBondContact O-N 3.28Å
493	Y	90.6	Very high	87.6	Confident	21 Å²	21	70.7 Å²	70.7	8%	0.082	37%	0.365	C	S	.	.	H	α-helix	trans	-70.1	-42.3	-179	-171.4	-139	0	0	0	112.8	I467 N470 F471 I489 A490 K495 G496 W497 F498 D501	I467-Y493 HydrophobicContact CG2-CE1 4.27Å; N470-Y493 HydrophobicContact CB-CE1 4.13Å; N470-Y493 HydrophobicContact CB-CE2 4.48Å; F471-Y493 AromaticContact CD1-CD1 3.87Å; F471-Y493 HydrophobicContact CD1-CD1 3.87Å; F471-Y493 HydrophobicContact CD2-CD1 4.12Å; F471-Y493 HydrophobicContact CD2-CE1 4.06Å; F471-Y493 AromaticContact CE1-CD1 3.72Å; F471-Y493 HydrophobicContact CE1-CD1 3.72Å; F471-Y493 HydrophobicContact CE1-CE1 4.48Å; F471-Y493 AromaticContact CE2-CD1 3.98Å; F471-Y493 HydrophobicContact CE2-CD1 3.98Å; F471-Y493 AromaticContact CE2-CE1 3.92Å; F471-Y493 HydrophobicContact CE2-CE1 3.92Å; F471-Y493 HydrophobicContact CG-CD1 4.06Å; F471-Y493 HydrophobicContact CG-CE1 4.4Å; F471-Y493 AromaticContact CZ-CD1 3.78Å; F471-Y493 HydrophobicContact CZ-CD1 3.78Å; F471-Y493 HydrophobicContact CZ-CE1 4.14Å; I489-Y493 WeakPolarHBondContact O-CB 3.25Å; I489-Y493 PolarHBondContact O-N 3.09Å; A490-Y493 PolarHBondContact O-N 3.44Å; A490-Y493 VanDerWaalsContact O-N 3.15Å; Y493-K495 VanDerWaalsContact C-N 3.35Å; Y493-K495 PolarHBondContact O-N 3.01Å; Y493-G496 CarbonylContact O-C 3.59Å; Y493-G496 PolarHBondContact O-N 3.3Å; Y493-W497 HydrophobicContact CD2-CB 4.34Å; Y493-W497 HydrophobicContact CE2-CB 4.03Å; Y493-W497 PolarHBondContact O-N 3.44Å; Y493-F498 HydrophobicContact CD1-CB 4.14Å; Y493-F498 HydrophobicContact CD1-CD2 4.22Å; Y493-F498 HydrophobicContact CD2-CB 4.46Å; Y493-F498 HydrophobicContact CE1-CB 4.22Å; Y493-F498 AromaticContact CE1-CD2 3.91Å; Y493-F498 HydrophobicContact CE1-CD2 3.91Å; Y493-F498 HydrophobicContact CG-CB 4.27Å; Y493-F498 WeakPolarHBondContact O-CB 3.11Å; Y493-F498 PolarHBondContact O-N 2.75Å; Y493-F498 VanDerWaalsContact O-N 3.09Å; Y493-D501 WeakPolarHBondContact CE2-OD2 3.43Å; Y493-D501 VanDerWaalsContact OH-CB 3.26Å; Y493-D501 WeakPolarHBondContact OH-CB 3.27Å; Y493-D501 VanDerWaalsContact OH-CG 3.32Å; Y493-D501 PolarHBondContact OH-OD2 3.34Å
494	F	91.1	Very high	87.6	Confident	119 Å²	119	70.1 Å²	70.1	52%	0.522	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-40	174.4	-82.9	-61.6	0	0	0	112.8	F471 A490 G496 F498	F471-F494 HydrophobicContact CE1-CD2 4.13Å; F471-F494 AromaticContact CE1-CE2 3.67Å; F471-F494 HydrophobicContact CE1-CE2 3.67Å; F471-F494 AromaticContact CE1-CZ 3.88Å; F471-F494 HydrophobicContact CE1-CZ 3.88Å; F471-F494 HydrophobicContact CZ-CE1 4.08Å; F471-F494 HydrophobicContact CZ-CE2 4.01Å; F471-F494 AromaticContact CZ-CZ 3.71Å; F471-F494 HydrophobicContact CZ-CZ 3.71Å; A490-F494 HydrophobicContact CB-CD2 4.31Å; A490-F494 HydrophobicContact CB-CE2 4.33Å; A490-F494 WeakPolarHBondContact O-CB 3.24Å; A490-F494 WeakPolarHBondContact O-CD2 3.18Å; A490-F494 PolarHBondContact O-N 3.01Å; F494-G496 VanDerWaalsContact C-N 3.27Å; F494-G496 PolarHBondContact O-N 3.33Å; F494-F498 HydrophobicContact CD1-CB 4.25Å; F494-F498 AromaticContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD1 3.45Å; F494-F498 VanDerWaalsContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD2 4.47Å; F494-F498 AromaticContact CD1-CE1 3.89Å; F494-F498 HydrophobicContact CD1-CE1 3.89Å; F494-F498 AromaticContact CD1-CG 3.78Å; F494-F498 HydrophobicContact CD1-CG 3.78Å; F494-F498 AromaticContact CE1-CD1 3.6Å; F494-F498 HydrophobicContact CE1-CD1 3.6Å; F494-F498 HydrophobicContact CE1-CD2 4.28Å; F494-F498 AromaticContact CE1-CE1 3.55Å; F494-F498 HydrophobicContact CE1-CE1 3.55Å; F494-F498 HydrophobicContact CE1-CE2 4.24Å; F494-F498 AromaticContact CE1-CG 3.97Å; F494-F498 HydrophobicContact CE1-CG 3.97Å; F494-F498 AromaticContact CE1-CZ 3.88Å; F494-F498 HydrophobicContact CE1-CZ 3.88Å
495	K	89.2	Confident	87.8	Confident	193 Å²	193	69 Å²	69	84%	0.839	35%	0.354	S	S	*	.	H	α-helix	trans	-71.5	-20.6	179.1	-175.7	169.6	179.5	177.8	0	113.6	V491 Y493	V491-K495 WeakPolarHBondContact O-CB 3.43Å; V491-K495 PolarHBondContact O-N 2.92Å; Y493-K495 VanDerWaalsContact C-N 3.35Å; Y493-K495 PolarHBondContact O-N 3.01Å
496	G	85.5	Confident	87.8	Confident	44 Å²	44	66.2 Å²	66.2	45%	0.454	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-98.2	-177.4	0	0	0	0	0	112.8	H492 Y493 F494	H492-G496 PolarHBondContact O-N 3.28Å; Y493-G496 CarbonylContact O-C 3.59Å; Y493-G496 PolarHBondContact O-N 3.3Å; F494-G496 VanDerWaalsContact C-N 3.27Å; F494-G496 PolarHBondContact O-N 3.33Å
497	W	85.3	Confident	87.5	Confident	120 Å²	120	66 Å²	66	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12	-160	-61.5	106.5	0	0	0	115.7	Y493 L499 I500 D501 V533 R537	Y493-W497 HydrophobicContact CD2-CB 4.34Å; Y493-W497 HydrophobicContact CE2-CB 4.03Å; Y493-W497 PolarHBondContact O-N 3.44Å; W497-L499 VanDerWaalsContact C-N 3.26Å; W497-L499 PolarHBondContact O-N 3.09Å; W497-I500 HydrophobicContact CE3-CD1 4.01Å; W497-I500 HydrophobicContact CZ3-CD1 4.07Å; W497-I500 PolarHBondContact O-N 3.14Å; W497-D501 PolarHBondContact O-N 3.01Å; W497-V533 HydrophobicContact CE3-CG1 4.5Å; W497-V533 HydrophobicContact CZ3-CG1 3.87Å; W497-R537 HydrophobicContact CD2-CG 4.3Å; W497-R537 HydrophobicContact CE3-CG 4.4Å; W497-R537 HydrophobicContact CH2-CG 3.84Å; W497-R537 HydrophobicContact CZ2-CG 3.74Å; W497-R537 HydrophobicContact CZ3-CG 4.18Å
498	F	89.4	Confident	86.8	Confident	39 Å²	39	65.2 Å²	65.2	17%	0.171	32%	0.323	C	S	.	.	H	α-helix	trans	-53.2	-41.4	-176.1	172	-99.9	0	0	0	112.9	I467 F471 Y493 F494 I500 D501 M502	I467-F498 HydrophobicContact CG2-CD2 4.45Å; I467-F498 HydrophobicContact CG2-CE2 4.25Å; F471-F498 AromaticContact CE2-CD2 3.76Å; F471-F498 HydrophobicContact CE2-CD2 3.76Å; F471-F498 AromaticContact CE2-CE2 3.71Å; F471-F498 HydrophobicContact CE2-CE2 3.71Å; F471-F498 AromaticContact CZ-CD2 3.55Å; F471-F498 HydrophobicContact CZ-CD2 3.55Å; F471-F498 AromaticContact CZ-CE2 3.69Å; F471-F498 HydrophobicContact CZ-CE2 3.69Å; F471-F498 HydrophobicContact CZ-CG 4.38Å; Y493-F498 HydrophobicContact CD1-CB 4.14Å; Y493-F498 HydrophobicContact CD1-CD2 4.22Å; Y493-F498 HydrophobicContact CD2-CB 4.46Å; Y493-F498 HydrophobicContact CE1-CB 4.22Å; Y493-F498 AromaticContact CE1-CD2 3.91Å; Y493-F498 HydrophobicContact CE1-CD2 3.91Å; Y493-F498 HydrophobicContact CG-CB 4.27Å; Y493-F498 WeakPolarHBondContact O-CB 3.11Å; Y493-F498 PolarHBondContact O-N 2.75Å; Y493-F498 VanDerWaalsContact O-N 3.09Å; F494-F498 HydrophobicContact CD1-CB 4.25Å; F494-F498 AromaticContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD1 3.45Å; F494-F498 VanDerWaalsContact CD1-CD1 3.45Å; F494-F498 HydrophobicContact CD1-CD2 4.47Å; F494-F498 AromaticContact CD1-CE1 3.89Å; F494-F498 HydrophobicContact CD1-CE1 3.89Å; F494-F498 AromaticContact CD1-CG 3.78Å; F494-F498 HydrophobicContact CD1-CG 3.78Å; F494-F498 AromaticContact CE1-CD1 3.6Å; F494-F498 HydrophobicContact CE1-CD1 3.6Å; F494-F498 HydrophobicContact CE1-CD2 4.28Å; F494-F498 AromaticContact CE1-CE1 3.55Å; F494-F498 HydrophobicContact CE1-CE1 3.55Å; F494-F498 HydrophobicContact CE1-CE2 4.24Å; F494-F498 AromaticContact CE1-CG 3.97Å; F494-F498 HydrophobicContact CE1-CG 3.97Å; F494-F498 AromaticContact CE1-CZ 3.88Å; F494-F498 HydrophobicContact CE1-CZ 3.88Å; F498-I500 PolarHBondContact O-N 3.5Å; F498-D501 PolarHBondContact O-N 3.38Å; F498-M502 HydrophobicContact CE1-CB 4.23Å; F498-M502 HydrophobicContact CE1-CE 4.11Å; F498-M502 HydrophobicContact CE1-CG 4.47Å; F498-M502 HydrophobicContact CE1-SD 3.56Å; F498-M502 VanDerWaalsContact CE1-SD 3.56Å; F498-M502 HydrophobicContact CE2-CB 4.33Å; F498-M502 HydrophobicContact CZ-CB 4.06Å; F498-M502 HydrophobicContact CZ-CG 4.18Å; F498-M502 HydrophobicContact CZ-SD 3.55Å; F498-M502 VanDerWaalsContact CZ-SD 3.55Å; F498-M502 WeakPolarHBondContact O-CB 3.48Å; F498-M502 PolarHBondContact O-N 2.95Å
499	L	88.5	Confident	85.8	Confident	110 Å²	110	59.1 Å²	59.1	58%	0.576	30%	0.303	S	S	*	.	H	α-helix	trans	-61	-45.7	-178.1	-178.6	60.6	0	0	0	112.4	W497 M502 V503	W497-L499 VanDerWaalsContact C-N 3.26Å; W497-L499 PolarHBondContact O-N 3.09Å; L499-M502 HydrophobicContact CD1-CE 3.88Å; L499-V503 WeakPolarHBondContact O-CG2 3.22Å; L499-V503 PolarHBondContact O-N 2.94Å; L499-V503 VanDerWaalsContact O-N 3.08Å
500	I	87.4	Confident	84.5	Confident	62 Å²	62	63.5 Å²	63.5	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-68.1	-42.2	177.6	-60.8	176.6	0	0	0	110	W497 F498 M502 A504 V533	W497-I500 HydrophobicContact CE3-CD1 4.01Å; W497-I500 HydrophobicContact CZ3-CD1 4.07Å; W497-I500 PolarHBondContact O-N 3.14Å; F498-I500 PolarHBondContact O-N 3.5Å; I500-M502 VanDerWaalsContact C-N 3.34Å; I500-M502 PolarHBondContact O-N 2.87Å; I500-A504 VanDerWaalsContact O-CB 3.23Å; I500-A504 WeakPolarHBondContact O-CB 3.48Å; I500-A504 PolarHBondContact O-N 2.74Å; I500-V533 HydrophobicContact CG2-CB 4.39Å; I500-V533 HydrophobicContact CG2-CG1 4.41Å
501	D	88.4	Confident	83.3	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-65.3	-37.1	179.5	-78.1	-30.2	0	0	0	112.7	I467 Y493 W497 F498 A505 R534 R537	I467-D501 WeakPolarHBondContact CD1-O 3.34Å; I467-D501 HydrophobicContact CG1-CB 4.28Å; Y493-D501 WeakPolarHBondContact CE2-OD2 3.43Å; Y493-D501 VanDerWaalsContact OH-CB 3.26Å; Y493-D501 WeakPolarHBondContact OH-CB 3.27Å; Y493-D501 VanDerWaalsContact OH-CG 3.32Å; Y493-D501 PolarHBondContact OH-OD2 3.34Å; W497-D501 PolarHBondContact O-N 3.01Å; F498-D501 PolarHBondContact O-N 3.38Å; D501-A505 WeakPolarHBondContact O-CB 3.43Å; D501-A505 PolarHBondContact O-N 2.7Å; D501-R534 PolarHBondContact O-NH2 3.23Å; D501-R534 WeakPolarHBondContact OD1-CD 3.46Å; D501-R534 IonicContact OD1-CZ 3.51Å; D501-R534 IonicContact OD1-NE 3.15Å; D501-R534 PolarHBondContact OD1-NE 3.47Å; D501-R534 IonicContact OD1-NH2 3.37Å; D501-R537 IonicContact OD1-CZ 3.97Å; D501-R537 IonicContact OD1-NH1 3.12Å; D501-R537 IonicContact OD1-NH2 2.75Å; D501-R537 PolarHBondContact OD1-NH2 2.9Å; D501-R537 IonicContact OD2-CZ 2.71Å; D501-R537 IonicContact OD2-NH1 3.88Å; D501-R537 PolarHBondContact OD2-NH1 3.48Å; D501-R537 IonicContact OD2-NH2 2.74Å; D501-R537 PolarHBondContact OD2-NH2 3.41Å
502	M	87.6	Confident	81.8	Confident	77 Å²	77	64.9 Å²	64.9	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-53.3	175.9	179.8	178	68.2	0	0	111.6	F498 L499 I500 A504 A505 I506	F498-M502 HydrophobicContact CE1-CB 4.23Å; F498-M502 HydrophobicContact CE1-CE 4.11Å; F498-M502 HydrophobicContact CE1-CG 4.47Å; F498-M502 HydrophobicContact CE1-SD 3.56Å; F498-M502 VanDerWaalsContact CE1-SD 3.56Å; F498-M502 HydrophobicContact CE2-CB 4.33Å; F498-M502 HydrophobicContact CZ-CB 4.06Å; F498-M502 HydrophobicContact CZ-CG 4.18Å; F498-M502 HydrophobicContact CZ-SD 3.55Å; F498-M502 VanDerWaalsContact CZ-SD 3.55Å; F498-M502 WeakPolarHBondContact O-CB 3.48Å; F498-M502 PolarHBondContact O-N 2.95Å; L499-M502 HydrophobicContact CD1-CE 3.88Å; I500-M502 VanDerWaalsContact C-N 3.34Å; I500-M502 PolarHBondContact O-N 2.87Å; M502-A504 VanDerWaalsContact C-N 3.25Å; M502-A504 PolarHBondContact O-N 3.43Å; M502-A505 PolarHBondContact O-N 2.65Å; M502-I506 PolarHBondContact O-N 2.86Å
503	V	86.8	Confident	80.1	Confident	50 Å²	50	68.1 Å²	68.1	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-40	178.7	172.6	0	0	0	0	111	L499 A505 I506 L530	L499-V503 WeakPolarHBondContact O-CG2 3.22Å; L499-V503 PolarHBondContact O-N 2.94Å; L499-V503 VanDerWaalsContact O-N 3.08Å; V503-A505 PolarHBondContact O-N 2.93Å; V503-I506 PolarHBondContact O-N 3.1Å; V503-L530 HydrophobicContact CG1-CD1 3.93Å
504	A	84.6	Confident	78.3	Confident	2 Å²	2	70.8 Å²	70.8	2%	0.017	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13	176.5	0	0	0	0	0	114.4	I500 M502 L530 R531	I500-A504 VanDerWaalsContact O-CB 3.23Å; I500-A504 WeakPolarHBondContact O-CB 3.48Å; I500-A504 PolarHBondContact O-N 2.74Å; M502-A504 VanDerWaalsContact C-N 3.25Å; M502-A504 PolarHBondContact O-N 3.43Å; A504-L530 HydrophobicContact CB-CB 4.05Å; A504-R531 HydrophobicContact CB-CG 3.98Å; A504-R531 VanDerWaalsContact O-CZ 3.28Å; A504-R531 PolarHBondContact O-NE 2.9Å; A504-R531 PolarHBondContact O-NH2 2.86Å
505	A	84.9	Confident	76.5	Confident	8 Å²	8	68 Å²	68	7%	0.066	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.7	-177.2	0	0	0	0	0	114.1	I464 I467 D501 M502 V503 P507	I464-A505 HydrophobicContact CG1-CB 4.17Å; I467-A505 HydrophobicContact CD1-CB 3.61Å; D501-A505 WeakPolarHBondContact O-CB 3.43Å; D501-A505 PolarHBondContact O-N 2.7Å; M502-A505 PolarHBondContact O-N 2.65Å; V503-A505 PolarHBondContact O-N 2.93Å; A505-P507 WeakPolarHBondContact O-CD 3.45Å
506	I	83.4	Confident	74.7	Confident	54 Å²	54	62.8 Å²	62.8	28%	0.277	37%	0.369	S	S	.	.			trans	-74.1	122.3	174.5	-62.7	171.3	0	0	0	109.3	M502 V503 F508 L511	M502-I506 PolarHBondContact O-N 2.86Å; V503-I506 PolarHBondContact O-N 3.1Å; I506-F508 VanDerWaalsContact C-N 3.32Å; I506-F508 HydrophobicContact CB-CD2 4.28Å; I506-F508 HydrophobicContact CB-CE1 4.21Å; I506-F508 HydrophobicContact CB-CE2 3.81Å; I506-F508 HydrophobicContact CB-CZ 3.78Å; I506-F508 HydrophobicContact CD1-CE1 4.49Å; I506-F508 HydrophobicContact CD1-CZ 4.11Å; I506-F508 HydrophobicContact CG2-CD1 3.84Å; I506-F508 HydrophobicContact CG2-CD2 4.19Å; I506-F508 HydrophobicContact CG2-CE1 3.69Å; I506-F508 HydrophobicContact CG2-CE2 4.04Å; I506-F508 HydrophobicContact CG2-CG 4.09Å; I506-F508 HydrophobicContact CG2-CZ 3.8Å; I506-F508 VanDerWaalsContact O-CD2 3.26Å; I506-F508 WeakPolarHBondContact O-CD2 3.21Å; I506-F508 PolarHBondContact O-N 3.26Å; I506-L511 HydrophobicContact CG2-CD1 3.88Å
507	P	80	Confident	73.3	Confident	37 Å²	37	63.4 Å²	63.4	24%	0.24	37%	0.366	C	S	.	.			trans	-81.2	79.3	175.1	33.5	-33.7	0	0	0	109.6	A505 D509 L510	A505-P507 WeakPolarHBondContact O-CD 3.45Å; P507-D509 PolarHBondContact O-N 2.78Å; P507-D509 VanDerWaalsContact O-N 3.12Å; P507-L510 HydrophobicContact CB-CD1 4.19Å; P507-L510 HydrophobicContact CG-CD1 4.09Å; P507-L510 PolarHBondContact O-N 2.98Å
508	F	71.9	Confident	72	Confident	35 Å²	35	63.4 Å²	63.4	15%	0.154	37%	0.371	C	S	.	.	H	α-helix	trans	-54.2	-34.2	-175.7	-67.8	-78.3	0	0	0	113	I506 L510 L511 I512 A527	I506-F508 VanDerWaalsContact C-N 3.32Å; I506-F508 HydrophobicContact CB-CD2 4.28Å; I506-F508 HydrophobicContact CB-CE1 4.21Å; I506-F508 HydrophobicContact CB-CE2 3.81Å; I506-F508 HydrophobicContact CB-CZ 3.78Å; I506-F508 HydrophobicContact CD1-CE1 4.49Å; I506-F508 HydrophobicContact CD1-CZ 4.11Å; I506-F508 HydrophobicContact CG2-CD1 3.84Å; I506-F508 HydrophobicContact CG2-CD2 4.19Å; I506-F508 HydrophobicContact CG2-CE1 3.69Å; I506-F508 HydrophobicContact CG2-CE2 4.04Å; I506-F508 HydrophobicContact CG2-CG 4.09Å; I506-F508 HydrophobicContact CG2-CZ 3.8Å; I506-F508 VanDerWaalsContact O-CD2 3.26Å; I506-F508 WeakPolarHBondContact O-CD2 3.21Å; I506-F508 PolarHBondContact O-N 3.26Å; F508-L510 PolarHBondContact O-N 3.12Å; F508-L511 PolarHBondContact O-N 3.14Å; F508-I512 HydrophobicContact CB-CD1 4.2Å; F508-I512 VanDerWaalsContact O-CD1 3.3Å; F508-I512 WeakPolarHBondContact O-CD1 3.32Å; F508-I512 VanDerWaalsContact O-CG1 3.32Å; F508-I512 WeakPolarHBondContact O-CG1 3.3Å; F508-I512 PolarHBondContact O-N 3.36Å; F508-A527 HydrophobicContact CE2-CB 3.93Å
509	D	66.4	Low	70.5	Confident	37 Å²	37	69.7 Å²	69.7	20%	0.198	40%	0.401	C	S	.	.	H	α-helix	trans	-52	-29.7	176.4	-62.4	-53.3	0	0	0	114	Y447 P507 K525 R528	Y447-D509 PolarHBondContact OH-O 3.47Å; P507-D509 PolarHBondContact O-N 2.78Å; P507-D509 VanDerWaalsContact O-N 3.12Å; D509-K525 WeakPolarHBondContact OD1-CD 3.29Å; D509-K525 WeakPolarHBondContact OD1-CE 3.42Å; D509-K525 IonicContact OD1-NZ 3.75Å; D509-K525 PolarHBondContact OD1-NZ 2.78Å; D509-R528 IonicContact OD2-CZ 2.69Å; D509-R528 IonicContact OD2-NH1 2.8Å; D509-R528 PolarHBondContact OD2-NH1 3.47Å; D509-R528 IonicContact OD2-NH2 3.71Å; D509-R528 PolarHBondContact OD2-NH2 3.27Å
510	L	64.3	Low	69.1	Low	97 Å²	97	70 Å²	70	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-85.2	-21.9	178.9	-67	175	0	0	0	114	Y447 L457 P507 F508 I512	Y447-L510 HydrophobicContact CE1-CD2 4.43Å; L457-L510 HydrophobicContact CD1-CD1 4.45Å; P507-L510 HydrophobicContact CB-CD1 4.19Å; P507-L510 HydrophobicContact CG-CD1 4.09Å; P507-L510 PolarHBondContact O-N 2.98Å; F508-L510 PolarHBondContact O-N 3.12Å; L510-I512 VanDerWaalsContact C-N 3.3Å
511	L	65.1	Low	68	Low	128 Å²	128	67.2 Å²	67.2	67%	0.67	39%	0.389	S	S	*	.	H	α-helix	trans	-81	-13.4	176.1	-76.9	164.8	0	0	0	112.6	I506 F508	I506-L511 HydrophobicContact CG2-CD1 3.88Å; F508-L511 PolarHBondContact O-N 3.14Å
512	I	57.7	Low	66.9	Low	27 Å²	27	67.4 Å²	67.4	14%	0.138	39%	0.39	C	S	.	.			trans	-94.4	-14.1	-163.1	-81.5	167.5	0	0	0	113.7	F508 L510 G514 S515 I521	F508-I512 HydrophobicContact CB-CD1 4.2Å; F508-I512 VanDerWaalsContact O-CD1 3.3Å; F508-I512 WeakPolarHBondContact O-CD1 3.32Å; F508-I512 VanDerWaalsContact O-CG1 3.32Å; F508-I512 WeakPolarHBondContact O-CG1 3.3Å; F508-I512 PolarHBondContact O-N 3.36Å; L510-I512 VanDerWaalsContact C-N 3.3Å; I512-G514 PolarHBondContact O-N 3.12Å; I512-S515 PolarHBondContact O-N 2.91Å; I512-I521 HydrophobicContact CB-CG1 4.49Å; I512-I521 HydrophobicContact CD1-CB 4.27Å; I512-I521 HydrophobicContact CD1-CG1 3.88Å; I512-I521 HydrophobicContact CD1-CG2 3.99Å; I512-I521 HydrophobicContact CG1-CD1 4.5Å; I512-I521 HydrophobicContact CG1-CG1 3.97Å; I512-I521 HydrophobicContact CG2-CB 4.47Å; I512-I521 HydrophobicContact CG2-CD1 3.48Å; I512-I521 VanDerWaalsContact CG2-CD1 3.48Å; I512-I521 HydrophobicContact CG2-CG1 3.74Å; I512-I521 HydrophobicContact CG2-CG2 3.95Å
513	F	55.1	Low	65.9	Low	170 Å²	170	69.5 Å²	69.5	75%	0.746	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	15.7	-179.9	-107.5	-108.3	0	0	0	116.1	Y447	Y447-F513 HydrophobicContact CD2-CZ 4.35Å; Y447-F513 HydrophobicContact CE1-CE2 4.48Å; Y447-F513 HydrophobicContact CE2-CD2 4Å; Y447-F513 HydrophobicContact CE2-CE1 4.22Å; Y447-F513 AromaticContact CE2-CE2 3.46Å; Y447-F513 HydrophobicContact CE2-CE2 3.46Å; Y447-F513 VanDerWaalsContact CE2-CE2 3.46Å; Y447-F513 AromaticContact CE2-CZ 3.59Å; Y447-F513 HydrophobicContact CE2-CZ 3.59Å; Y447-F513 AromaticContact CZ-CD2 3.91Å; Y447-F513 AromaticContact CZ-CE2 3.44Å; Y447-F513 VanDerWaalsContact CZ-CE2 3.44Å; Y447-F513 WeakPolarHBondContact OH-CD2 3.42Å; Y447-F513 WeakPolarHBondContact OH-CE2 3.44Å
514	G	51.4	Low	65.2	Low	76 Å²	76	70.8 Å²	70.8	78%	0.784	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	8.5	179.8	0	0	0	0	0	115.9	I512	I512-G514 PolarHBondContact O-N 3.12Å
515	S	53	Low	64.8	Low	61 Å²	61	73.3 Å²	73.3	43%	0.427	42%	0.418	S	S	.	.			trans	-141	109.6	179.3	61.2	0	0	0	0	112.5	I512 S517 I521	I512-S515 PolarHBondContact O-N 2.91Å; S515-S517 PolarHBondContact O-N 3.28Å; S515-I521 VanDerWaalsContact O-CD1 3.25Å; S515-I521 WeakPolarHBondContact O-CD1 3.35Å
516	G	51.9	Low	64.6	Low	84 Å²	84	76 Å²	76	87%	0.866	43%	0.433	S	S	*	.			trans	-80.1	79.1	-177.9	0	0	0	0	0	114.1
517	S	55.4	Low	64.5	Low	57 Å²	57	74.4 Å²	74.4	40%	0.399	43%	0.429	S	S	.	.			trans	-141.4	61.2	173.4	55.2	0	0	0	0	112.3	S515 E519 L520 I521	S515-S517 PolarHBondContact O-N 3.28Å; S517-E519 VanDerWaalsContact C-N 3.28Å; S517-E519 PolarHBondContact O-N 3.09Å; S517-E519 VanDerWaalsContact O-N 3.07Å; S517-L520 PolarHBondContact O-N 2.78Å; S517-I521 PolarHBondContact O-N 3.17Å
518	E	57.9	Low	64.7	Low	119 Å²	119	73.4 Å²	73.4	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-48.1	-37.3	-168	-63.6	-57	137.3	0	0	115.6	I521 G522	E518-I521 VanDerWaalsContact O-CB 3.32Å; E518-I521 WeakPolarHBondContact O-CB 3.44Å; E518-I521 PolarHBondContact O-N 3.12Å; E518-G522 PolarHBondContact O-N 3.38Å
519	E	59	Low	65.4	Low	171 Å²	171	74.1 Å²	74.1	80%	0.799	43%	0.426	S	S	*	.	H	α-helix	trans	-64.7	-46.4	178.7	-63.3	-169.3	126.2	0	0	112.9	S517 I521 G522 L523	S517-E519 VanDerWaalsContact C-N 3.28Å; S517-E519 PolarHBondContact O-N 3.09Å; S517-E519 VanDerWaalsContact O-N 3.07Å; E519-I521 VanDerWaalsContact C-N 3.29Å; E519-I521 PolarHBondContact O-N 3.46Å; E519-G522 PolarHBondContact O-N 2.95Å; E519-L523 PolarHBondContact O-N 3.05Å
520	L	59.2	Low	66.3	Low	116 Å²	116	75.9 Å²	75.9	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-70.6	-32.7	-179.9	-162.8	71.8	0	0	0	110.8	S517 L523 L524	S517-L520 PolarHBondContact O-N 2.78Å; L520-L523 PolarHBondContact O-N 3.03Å; L520-L524 PolarHBondContact O-N 2.93Å; L520-L524 VanDerWaalsContact O-N 3.08Å
521	I	63.2	Low	67.4	Low	5 Å²	5	71.3 Å²	71.3	3%	0.026	41%	0.411	C	S	.	.	H	α-helix	trans	-58.6	-47.1	170.6	-82	161.1	0	0	0	111.6	I512 S515 S517 E518 E519 L523 L524 K525	I512-I521 HydrophobicContact CB-CG1 4.49Å; I512-I521 HydrophobicContact CD1-CB 4.27Å; I512-I521 HydrophobicContact CD1-CG1 3.88Å; I512-I521 HydrophobicContact CD1-CG2 3.99Å; I512-I521 HydrophobicContact CG1-CD1 4.5Å; I512-I521 HydrophobicContact CG1-CG1 3.97Å; I512-I521 HydrophobicContact CG2-CB 4.47Å; I512-I521 HydrophobicContact CG2-CD1 3.48Å; I512-I521 VanDerWaalsContact CG2-CD1 3.48Å; I512-I521 HydrophobicContact CG2-CG1 3.74Å; I512-I521 HydrophobicContact CG2-CG2 3.95Å; S515-I521 VanDerWaalsContact O-CD1 3.25Å; S515-I521 WeakPolarHBondContact O-CD1 3.35Å; S517-I521 PolarHBondContact O-N 3.17Å; E518-I521 VanDerWaalsContact O-CB 3.32Å; E518-I521 WeakPolarHBondContact O-CB 3.44Å; E518-I521 PolarHBondContact O-N 3.12Å; E519-I521 VanDerWaalsContact C-N 3.29Å; E519-I521 PolarHBondContact O-N 3.46Å; I521-L523 VanDerWaalsContact C-N 3.32Å; I521-L523 PolarHBondContact O-N 3.44Å; I521-L524 PolarHBondContact O-N 2.74Å; I521-K525 WeakPolarHBondContact O-CG 3.16Å; I521-K525 PolarHBondContact O-N 2.73Å
522	G	65.2	Low	68.3	Low	4 Å²	4	67.3 Å²	67.3	4%	0.041	39%	0.39	C	S	.	.	H	α-helix	trans	-58.2	-43.3	176.3	0	0	0	0	0	112.5	E518 E519 K525	E518-G522 PolarHBondContact O-N 3.38Å; E519-G522 PolarHBondContact O-N 2.95Å; G522-K525 PolarHBondContact O-N 3.26Å
523	L	68.6	Low	69.7	Low	121 Å²	121	68.2 Å²	68.2	63%	0.634	40%	0.396	S	S	*	.	H	α-helix	trans	-65.1	-38.8	177.6	-120.6	69.6	0	0	0	112.9	E519 L520 I521 K525 T526	E519-L523 PolarHBondContact O-N 3.05Å; L520-L523 PolarHBondContact O-N 3.03Å; I521-L523 VanDerWaalsContact C-N 3.32Å; I521-L523 PolarHBondContact O-N 3.44Å; L523-K525 PolarHBondContact O-N 2.81Å; L523-T526 WeakPolarHBondContact O-CB 3.19Å; L523-T526 WeakPolarHBondContact O-CG2 3.24Å; L523-T526 PolarHBondContact O-N 2.71Å; L523-T526 PolarHBondContact O-OG1 3.21Å
524	L	71.4	Confident	70.9	Confident	77 Å²	77	60.3 Å²	60.3	40%	0.403	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-32.3	177.1	-80.4	159.8	0	0	0	112.8	L520 I521 T526 A527	L520-L524 PolarHBondContact O-N 2.93Å; L520-L524 VanDerWaalsContact O-N 3.08Å; I521-L524 PolarHBondContact O-N 2.74Å; L524-T526 PolarHBondContact O-N 2.76Å; L524-A527 VanDerWaalsContact O-CB 3.26Å; L524-A527 WeakPolarHBondContact O-CB 3.16Å; L524-A527 PolarHBondContact O-N 2.96Å; L524-A527 VanDerWaalsContact O-N 3.12Å
525	K	75.5	Confident	72.4	Confident	55 Å²	55	58 Å²	58	24%	0.239	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-27	176.8	-49.6	-164.1	-168.8	-156.1	0	112.4	T425 D509 I521 G522 L523 A527 R528	T425-K525 VanDerWaalsContact CG2-O 3.25Å; T425-K525 WeakPolarHBondContact CG2-O 3.49Å; D509-K525 WeakPolarHBondContact OD1-CD 3.29Å; D509-K525 WeakPolarHBondContact OD1-CE 3.42Å; D509-K525 IonicContact OD1-NZ 3.75Å; D509-K525 PolarHBondContact OD1-NZ 2.78Å; I521-K525 WeakPolarHBondContact O-CG 3.16Å; I521-K525 PolarHBondContact O-N 2.73Å; G522-K525 PolarHBondContact O-N 3.26Å; L523-K525 PolarHBondContact O-N 2.81Å; K525-A527 PolarHBondContact O-N 2.66Å; K525-A527 VanDerWaalsContact O-N 3.14Å; K525-R528 WeakPolarHBondContact O-CB 3.4Å; K525-R528 PolarHBondContact O-N 3.08Å
526	T	80.9	Confident	73.6	Confident	64 Å²	64	58.3 Å²	58.3	39%	0.393	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-62.6	-19.5	177	72.3	0	0	0	0	113.3	L523 L524 R528 L529	L523-T526 WeakPolarHBondContact O-CB 3.19Å; L523-T526 WeakPolarHBondContact O-CG2 3.24Å; L523-T526 PolarHBondContact O-N 2.71Å; L523-T526 PolarHBondContact O-OG1 3.21Å; L524-T526 PolarHBondContact O-N 2.76Å; T526-R528 PolarHBondContact O-N 3.31Å; T526-R528 VanDerWaalsContact O-N 3.12Å; T526-L529 VanDerWaalsContact O-CB 3.28Å; T526-L529 WeakPolarHBondContact O-CB 3.47Å; T526-L529 WeakPolarHBondContact O-CG 3.1Å; T526-L529 PolarHBondContact O-N 3.42Å
527	A	81.7	Confident	74.9	Confident	22 Å²	22	57.6 Å²	57.6	18%	0.182	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.1	-23.4	171.9	0	0	0	0	0	113.1	F508 L524 K525 L529 L530	F508-A527 HydrophobicContact CE2-CB 3.93Å; L524-A527 VanDerWaalsContact O-CB 3.26Å; L524-A527 WeakPolarHBondContact O-CB 3.16Å; L524-A527 PolarHBondContact O-N 2.96Å; L524-A527 VanDerWaalsContact O-N 3.12Å; K525-A527 PolarHBondContact O-N 2.66Å; K525-A527 VanDerWaalsContact O-N 3.14Å; A527-L529 PolarHBondContact O-N 3.01Å; A527-L530 VanDerWaalsContact O-CB 3.31Å; A527-L530 WeakPolarHBondContact O-CB 3.44Å; A527-L530 WeakPolarHBondContact O-CG 3.46Å; A527-L530 PolarHBondContact O-N 3.21Å; A527-L530 VanDerWaalsContact O-N 3.1Å
528	R	84.4	Confident	75.9	Confident	15 Å²	15	56.1 Å²	56.1	6%	0.057	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58.3	-24.9	170.3	-70.1	-173.9	164.3	127.8	8.2	112.6	T425 D456 D460 D509 K525 T526 L530 R531	T425-R528 HydrophobicContact CG2-CB 4.1Å; D456-R528 IonicContact OD2-NH1 3.17Å; D460-R528 IonicContact OD1-NE 2.69Å; D460-R528 PolarHBondContact OD1-NE 3.12Å; D460-R528 IonicContact OD1-NH2 3.97Å; D460-R528 IonicContact OD2-CZ 2.74Å; D460-R528 IonicContact OD2-NE 2.7Å; D460-R528 PolarHBondContact OD2-NE 3.16Å; D460-R528 IonicContact OD2-NH2 2.78Å; D460-R528 PolarHBondContact OD2-NH2 2.79Å; D509-R528 IonicContact OD2-CZ 2.69Å; D509-R528 IonicContact OD2-NH1 2.8Å; D509-R528 PolarHBondContact OD2-NH1 3.47Å; D509-R528 IonicContact OD2-NH2 3.71Å; D509-R528 PolarHBondContact OD2-NH2 3.27Å; K525-R528 WeakPolarHBondContact O-CB 3.4Å; K525-R528 PolarHBondContact O-N 3.08Å; T526-R528 PolarHBondContact O-N 3.31Å; T526-R528 VanDerWaalsContact O-N 3.12Å; R528-L530 PolarHBondContact O-N 3.2Å; R528-R531 VanDerWaalsContact O-CB 3.22Å; R528-R531 WeakPolarHBondContact O-CB 3.26Å; R528-R531 WeakPolarHBondContact O-CD 3.37Å; R528-R531 WeakPolarHBondContact O-CG 3.2Å; R528-R531 PolarHBondContact O-N 3.39Å; R528-R531 VanDerWaalsContact O-N 3.14Å
529	L	85.4	Confident	76.8	Confident	51 Å²	51	54.6 Å²	54.6	27%	0.267	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19	176.4	-63.2	176	0	0	0	113.5	P426 T526 A527 R531 L532	P426-L529 HydrophobicContact CG-CD1 4.44Å; P426-L529 HydrophobicContact CG-CD2 4.07Å; T526-L529 VanDerWaalsContact O-CB 3.28Å; T526-L529 WeakPolarHBondContact O-CB 3.47Å; T526-L529 WeakPolarHBondContact O-CG 3.1Å; T526-L529 PolarHBondContact O-N 3.42Å; A527-L529 PolarHBondContact O-N 3.01Å; L529-R531 PolarHBondContact O-N 2.76Å; L529-L532 HydrophobicContact CD2-CD1 4.28Å; L529-L532 WeakPolarHBondContact O-CB 3.45Å; L529-L532 PolarHBondContact O-N 3.45Å
530	L	86.3	Confident	77.5	Confident	74 Å²	74	53 Å²	53	39%	0.387	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-58.5	-19	171.7	-64.1	173.8	0	0	0	112.7	V503 A504 A527 R528 L532 V533	V503-L530 HydrophobicContact CG1-CD1 3.93Å; A504-L530 HydrophobicContact CB-CB 4.05Å; A527-L530 VanDerWaalsContact O-CB 3.31Å; A527-L530 WeakPolarHBondContact O-CB 3.44Å; A527-L530 WeakPolarHBondContact O-CG 3.46Å; A527-L530 PolarHBondContact O-N 3.21Å; A527-L530 VanDerWaalsContact O-N 3.1Å; R528-L530 PolarHBondContact O-N 3.2Å; L530-L532 PolarHBondContact O-N 2.74Å; L530-V533 WeakPolarHBondContact O-CB 3.48Å; L530-V533 WeakPolarHBondContact O-CG2 3.41Å; L530-V533 PolarHBondContact O-N 2.79Å
531	R	86.3	Confident	78.2	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.9	-24.7	172	-64.7	168.9	-173.4	-171.9	-1	112.8	V418 D460 F463 A504 R528 L529 V533 R534	V418-R531 HydrophobicContact CG1-CB 4.41Å; V418-R531 HydrophobicContact CG2-CB 4.27Å; D460-R531 IonicContact OD1-CZ 2.73Å; D460-R531 IonicContact OD1-NH1 2.94Å; D460-R531 PolarHBondContact OD1-NH1 3.49Å; D460-R531 IonicContact OD1-NH2 3.41Å; D460-R531 PolarHBondContact OD1-NH2 3.4Å; D460-R531 IonicContact OD2-NH2 3.44Å; F463-R531 HydrophobicContact CE1-CB 4.44Å; F463-R531 HydrophobicContact CE1-CG 4.36Å; F463-R531 HydrophobicContact CE2-CG 4.49Å; F463-R531 HydrophobicContact CZ-CB 4.38Å; F463-R531 HydrophobicContact CZ-CG 4.33Å; A504-R531 HydrophobicContact CB-CG 3.98Å; A504-R531 VanDerWaalsContact O-CZ 3.28Å; A504-R531 PolarHBondContact O-NE 2.9Å; A504-R531 PolarHBondContact O-NH2 2.86Å; R528-R531 VanDerWaalsContact O-CB 3.22Å; R528-R531 WeakPolarHBondContact O-CB 3.26Å; R528-R531 WeakPolarHBondContact O-CD 3.37Å; R528-R531 WeakPolarHBondContact O-CG 3.2Å; R528-R531 PolarHBondContact O-N 3.39Å; R528-R531 VanDerWaalsContact O-N 3.14Å; L529-R531 PolarHBondContact O-N 2.76Å; R531-V533 PolarHBondContact O-N 2.86Å; R531-R534 WeakPolarHBondContact O-CB 3.15Å; R531-R534 VanDerWaalsContact O-CG 3.25Å; R531-R534 WeakPolarHBondContact O-CG 3.45Å; R531-R534 PolarHBondContact O-N 2.88Å
532	L	84.9	Confident	78.7	Confident	44 Å²	44	49.7 Å²	49.7	23%	0.23	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-66	-23.6	175.1	-72.8	154	0	0	0	113.4	V418 A422 L529 L530 R534 V535 A536 W563	V418-L532 HydrophobicContact CG1-CD2 3.67Å; V418-L532 HydrophobicContact CG1-CG 3.92Å; A422-L532 HydrophobicContact CB-CD1 3.93Å; A422-L532 HydrophobicContact CB-CD2 3.97Å; A422-L532 HydrophobicContact CB-CG 4.26Å; L529-L532 HydrophobicContact CD2-CD1 4.28Å; L529-L532 WeakPolarHBondContact O-CB 3.45Å; L529-L532 PolarHBondContact O-N 3.45Å; L530-L532 PolarHBondContact O-N 2.74Å; L532-R534 PolarHBondContact O-N 3.18Å; L532-V535 WeakPolarHBondContact O-CB 3.41Å; L532-V535 PolarHBondContact O-N 2.88Å; L532-A536 PolarHBondContact O-N 2.62Å; L532-W563 HydrophobicContact CD1-CH2 3.73Å; L532-W563 HydrophobicContact CD1-CZ2 3.57Å
533	V	86.1	Confident	79.1	Confident	46 Å²	46	52.1 Å²	52.1	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-21.2	170.3	-173.5	0	0	0	0	111.3	W497 I500 L530 R531 V535 R537	W497-V533 HydrophobicContact CE3-CG1 4.5Å; W497-V533 HydrophobicContact CZ3-CG1 3.87Å; I500-V533 HydrophobicContact CG2-CB 4.39Å; I500-V533 HydrophobicContact CG2-CG1 4.41Å; L530-V533 WeakPolarHBondContact O-CB 3.48Å; L530-V533 WeakPolarHBondContact O-CG2 3.41Å; L530-V533 PolarHBondContact O-N 2.79Å; R531-V533 PolarHBondContact O-N 2.86Å; V533-V535 VanDerWaalsContact C-N 3.29Å; V533-V535 PolarHBondContact O-N 2.95Å; V533-R537 WeakPolarHBondContact O-CG 3.33Å; V533-R537 PolarHBondContact O-N 2.81Å; V533-R537 PolarHBondContact O-NE 3.35Å
534	R	82.1	Confident	79.5	Confident	4 Å²	4	48 Å²	48	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-26.5	169.5	-49.3	-136	173.4	160.8	10.3	112.8	V418 F463 D466 D501 R531 L532 R537 K538	V418-R534 HydrophobicContact CG2-CB 4.49Å; F463-R534 PolarHBondContact O-NH1 3.34Å; D466-R534 IonicContact OD2-CZ 3.49Å; D466-R534 IonicContact OD2-NH1 2.79Å; D466-R534 PolarHBondContact OD2-NH1 3.41Å; D501-R534 PolarHBondContact O-NH2 3.23Å; D501-R534 WeakPolarHBondContact OD1-CD 3.46Å; D501-R534 IonicContact OD1-CZ 3.51Å; D501-R534 IonicContact OD1-NE 3.15Å; D501-R534 PolarHBondContact OD1-NE 3.47Å; D501-R534 IonicContact OD1-NH2 3.37Å; R531-R534 WeakPolarHBondContact O-CB 3.15Å; R531-R534 VanDerWaalsContact O-CG 3.25Å; R531-R534 WeakPolarHBondContact O-CG 3.45Å; R531-R534 PolarHBondContact O-N 2.88Å; L532-R534 PolarHBondContact O-N 3.18Å; R534-R537 VanDerWaalsContact CG-NH2 3.28Å; R534-K538 WeakPolarHBondContact O-CG 3.33Å
535	V	81.8	Confident	79.8	Confident	27 Å²	27	51 Å²	51	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-81	-46.7	178.3	-177.3	0	0	0	0	110.9	L415 V418 L532 V533 R537 K538 L539 Y542	L415-V535 HydrophobicContact CD1-CB 4.4Å; L415-V535 HydrophobicContact CD1-CG1 3.84Å; L415-V535 HydrophobicContact CD1-CG2 3.66Å; V418-V535 HydrophobicContact CB-CG2 4.09Å; V418-V535 HydrophobicContact CG1-CG2 3.7Å; V418-V535 HydrophobicContact CG2-CG2 4.43Å; L532-V535 WeakPolarHBondContact O-CB 3.41Å; L532-V535 PolarHBondContact O-N 2.88Å; V533-V535 VanDerWaalsContact C-N 3.29Å; V533-V535 PolarHBondContact O-N 2.95Å; V535-R537 VanDerWaalsContact C-N 3.3Å; V535-R537 PolarHBondContact O-N 2.89Å; V535-K538 CarbonylContact O-C 3.58Å; V535-K538 WeakPolarHBondContact O-CA 3.32Å; V535-K538 PolarHBondContact O-N 3.12Å; V535-L539 PolarHBondContact O-N 2.04Å; V535-Y542 HydrophobicContact CG1-CE2 4.46Å
536	A	78.4	Confident	79.9	Confident	68 Å²	68	49.5 Å²	49.5	56%	0.562	27%	0.268	S	S	*	.	H	α-helix	trans	-54	-44.8	178.4	0	0	0	0	0	112.2	L532 K538 L539	L532-A536 PolarHBondContact O-N 2.62Å; A536-K538 PolarHBondContact O-N 3.41Å; A536-L539 VanDerWaalsContact O-CB 3.26Å; A536-L539 WeakPolarHBondContact O-CB 3.44Å; A536-L539 PolarHBondContact O-N 3.04Å
537	R	78.8	Confident	79.8	Confident	68 Å²	68	50.2 Å²	50.2	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.7	175.5	-69.7	-179.3	-64.5	165.8	-7.7	115.3	W497 D501 V533 R534 V535	W497-R537 HydrophobicContact CD2-CG 4.3Å; W497-R537 HydrophobicContact CE3-CG 4.4Å; W497-R537 HydrophobicContact CH2-CG 3.84Å; W497-R537 HydrophobicContact CZ2-CG 3.74Å; W497-R537 HydrophobicContact CZ3-CG 4.18Å; D501-R537 IonicContact OD1-CZ 3.97Å; D501-R537 IonicContact OD1-NH1 3.12Å; D501-R537 IonicContact OD1-NH2 2.75Å; D501-R537 PolarHBondContact OD1-NH2 2.9Å; D501-R537 IonicContact OD2-CZ 2.71Å; D501-R537 IonicContact OD2-NH1 3.88Å; D501-R537 PolarHBondContact OD2-NH1 3.48Å; D501-R537 IonicContact OD2-NH2 2.74Å; D501-R537 PolarHBondContact OD2-NH2 3.41Å; V533-R537 WeakPolarHBondContact O-CG 3.33Å; V533-R537 PolarHBondContact O-N 2.81Å; V533-R537 PolarHBondContact O-NE 3.35Å; R534-R537 VanDerWaalsContact CG-NH2 3.28Å; V535-R537 VanDerWaalsContact C-N 3.3Å; V535-R537 PolarHBondContact O-N 2.89Å
538	K	76	Confident	79.9	Confident	26 Å²	26	49.7 Å²	49.7	11%	0.113	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	2.8	-179.4	-62.5	178.6	-169.4	-179.5	0	111.6	D411 R534 V535 A536 D540 R541 Y542	D411-K538 HydrophobicContact CB-CD 4.49Å; D411-K538 WeakPolarHBondContact OD1-CE 3.43Å; D411-K538 IonicContact OD1-NZ 2.71Å; D411-K538 PolarHBondContact OD1-NZ 3.35Å; R534-K538 WeakPolarHBondContact O-CG 3.33Å; V535-K538 CarbonylContact O-C 3.58Å; V535-K538 WeakPolarHBondContact O-CA 3.32Å; V535-K538 PolarHBondContact O-N 3.12Å; A536-K538 PolarHBondContact O-N 3.41Å; K538-D540 VanDerWaalsContact C-N 3.28Å; K538-D540 PolarHBondContact O-N 3.18Å; K538-R541 WeakPolarHBondContact O-CB 3.36Å; K538-R541 PolarHBondContact O-N 3.21Å; K538-Y542 HydrophobicContact CB-CD2 4.31Å; K538-Y542 HydrophobicContact CB-CE2 3.6Å; K538-Y542 VanDerWaalsContact O-CD2 3.31Å; K538-Y542 WeakPolarHBondContact O-CD2 3.49Å; K538-Y542 PolarHBondContact O-N 2.89Å
539	L	77.7	Confident	79.8	Confident	88 Å²	88	51 Å²	51	46%	0.461	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-38.4	-177	-173.4	61.3	0	0	0	112.2	V535 A536 R541 Y542 S543 L552	V535-L539 PolarHBondContact O-N 2.04Å; A536-L539 VanDerWaalsContact O-CB 3.26Å; A536-L539 WeakPolarHBondContact O-CB 3.44Å; A536-L539 PolarHBondContact O-N 3.04Å; L539-R541 PolarHBondContact O-N 3.42Å; L539-Y542 PolarHBondContact O-N 3.07Å; L539-S543 WeakPolarHBondContact O-CB 3.39Å; L539-S543 PolarHBondContact O-N 3.23Å; L539-S543 PolarHBondContact O-OG 3.3Å; L539-L552 HydrophobicContact CD1-CD1 4.31Å
540	D	73.1	Confident	79.7	Confident	136 Å²	136	51.3 Å²	51.3	73%	0.727	29%	0.287	S	S	*	.	H	α-helix	trans	-62.1	-26.1	176.1	-64.5	-22	0	0	0	114	K538 S543	K538-D540 VanDerWaalsContact C-N 3.28Å; K538-D540 PolarHBondContact O-N 3.18Å; D540-S543 WeakPolarHBondContact CA-OG 3.1Å; D540-S543 PolarHBondContact O-OG 2.86Å
541	R	74.2	Confident	79.7	Confident	49 Å²	49	53.2 Å²	53.2	19%	0.185	29%	0.292	C	S	.	.	H	α-helix	trans	-81.4	-30.7	175.1	178.9	178.9	-67.3	-139.8	-18	111.6	V3 H402 D411 K538 L539 E544	V3-R541 HydrophobicContact CG2-CB 4.47Å; V3-R541 HydrophobicContact CG2-CG 3.97Å; H402-R541 PolarHBondContact O-NH1 2.8Å; H402-R541 VanDerWaalsContact O-NH1 3.14Å; H402-R541 PolarHBondContact O-NH2 2.69Å; D411-R541 IonicContact OD2-CZ 3.65Å; D411-R541 IonicContact OD2-NH1 3.8Å; D411-R541 PolarHBondContact OD2-NH1 3.41Å; K538-R541 WeakPolarHBondContact O-CB 3.36Å; K538-R541 PolarHBondContact O-N 3.21Å; L539-R541 PolarHBondContact O-N 3.42Å; R541-E544 WeakPolarHBondContact O-CG 3.03Å
542	Y	74.2	Confident	79.6	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-85.8	-32.4	178.2	-54.2	-44.1	0	0	0	112.4	D411 W412 L415 V535 K538 L539 E544 Y545 L552	D411-Y542 PolarHBondContact O-OH 3.45Å; W412-Y542 HydrophobicContact CH2-CD1 4.23Å; W412-Y542 HydrophobicContact CZ2-CD1 4.16Å; W412-Y542 HydrophobicContact CZ2-CE1 4.48Å; L415-Y542 HydrophobicContact CD1-CE2 4.29Å; L415-Y542 HydrophobicContact CD2-CE1 4.32Å; L415-Y542 HydrophobicContact CD2-CE2 4.14Å; V535-Y542 HydrophobicContact CG1-CE2 4.46Å; K538-Y542 HydrophobicContact CB-CD2 4.31Å; K538-Y542 HydrophobicContact CB-CE2 3.6Å; K538-Y542 VanDerWaalsContact O-CD2 3.31Å; K538-Y542 WeakPolarHBondContact O-CD2 3.49Å; K538-Y542 PolarHBondContact O-N 2.89Å; L539-Y542 PolarHBondContact O-N 3.07Å; Y542-E544 PolarHBondContact O-N 3.4Å; Y542-E544 VanDerWaalsContact O-N 3.17Å; Y542-Y545 PolarHBondContact O-N 3.42Å; Y542-Y545 VanDerWaalsContact O-N 3.15Å; Y542-L552 HydrophobicContact CD2-CD1 4Å; Y542-L552 HydrophobicContact CG-CD1 4.08Å
543	S	73.9	Confident	79.7	Confident	54 Å²	54	53.6 Å²	53.6	38%	0.378	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16	177.5	70.3	0	0	0	0	113.8	L539 D540 Y545	L539-S543 WeakPolarHBondContact O-CB 3.39Å; L539-S543 PolarHBondContact O-N 3.23Å; L539-S543 PolarHBondContact O-OG 3.3Å; D540-S543 WeakPolarHBondContact CA-OG 3.1Å; D540-S543 PolarHBondContact O-OG 2.86Å; S543-Y545 PolarHBondContact O-N 3.47Å
544	E	76	Confident	79.8	Confident	35 Å²	35	55.3 Å²	55.3	16%	0.164	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-38.3	167.6	-71.8	-152	-137.1	0	0	114.2	M1 P2 V3 R541 Y542	M1-E544 WeakPolarHBondContact CA-OE2 3.38Å; M1-E544 VanDerWaalsContact N-CD 3.35Å; M1-E544 VanDerWaalsContact N-CG 3.31Å; M1-E544 PolarHBondContact N-OE2 3.43Å; P2-E544 WeakPolarHBondContact CA-OE2 3.48Å; V3-E544 WeakPolarHBondContact CG2-OE1 3.29Å; V3-E544 PolarHBondContact N-OE1 3.12Å; R541-E544 WeakPolarHBondContact O-CG 3.03Å; Y542-E544 PolarHBondContact O-N 3.4Å; Y542-E544 VanDerWaalsContact O-N 3.17Å
545	Y	78.4	Confident	80.1	Confident	141 Å²	141	56.4 Å²	56.4	55%	0.553	31%	0.309	S	S	*	.	S	Bend	trans	-110.1	108.3	-171.6	-60.7	-88.9	0	0	0	109.5	Y542 S543 A547 A548 V549	Y542-Y545 PolarHBondContact O-N 3.42Å; Y542-Y545 VanDerWaalsContact O-N 3.15Å; S543-Y545 PolarHBondContact O-N 3.47Å; Y545-A547 PolarHBondContact O-N 3.36Å; Y545-A547 VanDerWaalsContact O-N 3.13Å; Y545-A548 WeakPolarHBondContact O-CA 3.45Å; Y545-A548 WeakPolarHBondContact O-CB 3.48Å; Y545-A548 PolarHBondContact O-N 3.47Å; Y545-V549 PolarHBondContact O-N 3.04Å; Y545-V549 VanDerWaalsContact O-N 3.11Å
546	G	76.8	Confident	80.5	Confident	22 Å²	22	58.1 Å²	58.1	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-34.6	-175	0	0	0	0	0	114.6	V549 L550	G546-V549 PolarHBondContact O-N 2.98Å; G546-L550 PolarHBondContact O-N 3.46Å
547	A	80.3	Confident	81.1	Confident	79 Å²	79	56.3 Å²	56.3	65%	0.653	30%	0.298	S	S	*	.	H	α-helix	trans	-69.8	-31.1	174.1	0	0	0	0	0	113.2	Y545 L550 F551	Y545-A547 PolarHBondContact O-N 3.36Å; Y545-A547 VanDerWaalsContact O-N 3.13Å; A547-L550 PolarHBondContact O-N 3.29Å; A547-F551 WeakPolarHBondContact O-CB 3.4Å; A547-F551 PolarHBondContact O-N 3.45Å
548	A	81.9	Confident	81.8	Confident	12 Å²	12	55.1 Å²	55.1	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-72.4	-33.4	174.5	0	0	0	0	0	111.8	W412 Y545 F551 L552	W412-A548 HydrophobicContact CH2-CB 4.04Å; Y545-A548 WeakPolarHBondContact O-CA 3.45Å; Y545-A548 WeakPolarHBondContact O-CB 3.48Å; Y545-A548 PolarHBondContact O-N 3.47Å; A548-F551 PolarHBondContact O-N 3.48Å; A548-L552 WeakPolarHBondContact O-CB 3.45Å; A548-L552 VanDerWaalsContact O-CG 3.31Å; A548-L552 WeakPolarHBondContact O-CG 3.27Å; A548-L552 PolarHBondContact O-N 2.99Å
549	V	83.9	Confident	82.6	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.255	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-47.4	170.4	179.4	0	0	0	0	110.6	Y545 G546 F551 L552 L553 I662	Y545-V549 PolarHBondContact O-N 3.04Å; Y545-V549 VanDerWaalsContact O-N 3.11Å; G546-V549 PolarHBondContact O-N 2.98Å; V549-F551 PolarHBondContact O-N 3.33Å; V549-L552 PolarHBondContact O-N 2.93Å; V549-L553 VanDerWaalsContact O-CB 3.27Å; V549-L553 WeakPolarHBondContact O-CB 3.27Å; V549-L553 PolarHBondContact O-N 3.25Å; V549-I662 HydrophobicContact CB-CD1 4.33Å; V549-I662 HydrophobicContact CG1-CD1 4.17Å
550	L	83.1	Confident	83.4	Confident	58 Å²	58	52.8 Å²	52.8	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-47.1	176.4	179.6	60.4	0	0	0	111.8	G546 A547 L553 M554 V659 I662	G546-L550 PolarHBondContact O-N 3.46Å; A547-L550 PolarHBondContact O-N 3.29Å; L550-L553 PolarHBondContact O-N 2.89Å; L550-M554 HydrophobicContact CD1-CE 3.87Å; L550-M554 HydrophobicContact CD1-CG 4.31Å; L550-M554 WeakPolarHBondContact O-CG 3.48Å; L550-M554 PolarHBondContact O-N 3.02Å; L550-V659 HydrophobicContact CD1-CG2 3.69Å; L550-I662 HydrophobicContact CB-CD1 4.08Å
551	F	85.9	Confident	84.4	Confident	113 Å²	113	46.3 Å²	46.3	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-50.2	177.1	178.4	-100.5	0	0	0	112	A547 A548 V549 L553 M554 C555	A547-F551 WeakPolarHBondContact O-CB 3.4Å; A547-F551 PolarHBondContact O-N 3.45Å; A548-F551 PolarHBondContact O-N 3.48Å; V549-F551 PolarHBondContact O-N 3.33Å; F551-L553 VanDerWaalsContact C-N 3.3Å; F551-L553 PolarHBondContact O-N 3.03Å; F551-M554 PolarHBondContact O-N 3.48Å; F551-C555 VanDerWaalsContact CZ-SG 3.58Å; F551-C555 WeakPolarHBondContact O-CB 3.2Å; F551-C555 PolarHBondContact O-N 3.29Å; F551-C555 PolarHBondContact O-SG 3.09Å
552	L	84.5	Confident	85.4	Confident	23 Å²	23	44.3 Å²	44.3	12%	0.12	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-40.5	177.6	-77.5	174.3	0	0	0	112.3	L415 L539 Y542 A548 V549 C555 T556	L415-L552 HydrophobicContact CD1-CD2 4.22Å; L415-L552 HydrophobicContact CD2-CD2 4.15Å; L539-L552 HydrophobicContact CD1-CD1 4.31Å; Y542-L552 HydrophobicContact CD2-CD1 4Å; Y542-L552 HydrophobicContact CG-CD1 4.08Å; A548-L552 WeakPolarHBondContact O-CB 3.45Å; A548-L552 VanDerWaalsContact O-CG 3.31Å; A548-L552 WeakPolarHBondContact O-CG 3.27Å; A548-L552 PolarHBondContact O-N 2.99Å; V549-L552 PolarHBondContact O-N 2.93Å; L552-C555 PolarHBondContact O-N 3.23Å; L552-T556 WeakPolarHBondContact O-CG2 3.42Å; L552-T556 PolarHBondContact O-N 2.71Å; L552-T556 PolarHBondContact O-OG1 3.47Å
553	L	86	Confident	86.4	Confident	31 Å²	31	48.1 Å²	48.1	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-37.2	-180	-175.5	58.4	0	0	0	112.7	V549 L550 F551 T556 F557 I655 N658	V549-L553 VanDerWaalsContact O-CB 3.27Å; V549-L553 WeakPolarHBondContact O-CB 3.27Å; V549-L553 PolarHBondContact O-N 3.25Å; L550-L553 PolarHBondContact O-N 2.89Å; F551-L553 VanDerWaalsContact C-N 3.3Å; F551-L553 PolarHBondContact O-N 3.03Å; L553-T556 PolarHBondContact O-OG1 3.02Å; L553-T556 VanDerWaalsContact O-OG1 3.05Å; L553-F557 PolarHBondContact O-N 3.21Å; L553-F557 VanDerWaalsContact O-N 3.08Å; L553-I655 HydrophobicContact CD1-CG1 4.11Å; L553-I655 HydrophobicContact CD2-CG1 4.5Å; L553-I655 HydrophobicContact CG-CG1 4.11Å; L553-N658 HydrophobicContact CD2-CB 3.41Å; L553-N658 VanDerWaalsContact CD2-CB 3.41Å
554	M	88.6	Confident	87.4	Confident	82 Å²	82	46.3 Å²	46.3	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-70.5	-35.4	172.3	-66.3	-63.5	170.8	0	0	111.6	L550 F551 F557 A558 I655 V659	L550-M554 HydrophobicContact CD1-CE 3.87Å; L550-M554 HydrophobicContact CD1-CG 4.31Å; L550-M554 WeakPolarHBondContact O-CG 3.48Å; L550-M554 PolarHBondContact O-N 3.02Å; F551-M554 PolarHBondContact O-N 3.48Å; M554-F557 PolarHBondContact O-N 2.71Å; M554-A558 PolarHBondContact O-N 2.67Å; M554-A558 VanDerWaalsContact O-N 3.08Å; M554-I655 HydrophobicContact CE-CG2 3.76Å; M554-I655 HydrophobicContact SD-CG2 4.33Å; M554-V659 HydrophobicContact CE-CG2 3.67Å
555	C	89.7	Confident	88.3	Confident	27 Å²	27	44.7 Å²	44.7	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-41.7	172	-71	0	0	0	0	112.6	F551 L552 F557 A558 L559	F551-C555 VanDerWaalsContact CZ-SG 3.58Å; F551-C555 WeakPolarHBondContact O-CB 3.2Å; F551-C555 PolarHBondContact O-N 3.29Å; F551-C555 PolarHBondContact O-SG 3.09Å; L552-C555 PolarHBondContact O-N 3.23Å; C555-F557 VanDerWaalsContact C-N 3.35Å; C555-A558 PolarHBondContact O-N 3.44Å; C555-L559 WeakPolarHBondContact O-CB 3.45Å; C555-L559 VanDerWaalsContact O-CG 3.24Å; C555-L559 WeakPolarHBondContact O-CG 3.46Å; C555-L559 PolarHBondContact O-N 3.28Å
556	T	89.1	Confident	89.1	Confident	62 Å²	62	38.2 Å²	38.2	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-68.4	-34	176.9	53.1	0	0	0	0	112.2	L552 L553 L559 I560	L552-T556 WeakPolarHBondContact O-CG2 3.42Å; L552-T556 PolarHBondContact O-N 2.71Å; L552-T556 PolarHBondContact O-OG1 3.47Å; L553-T556 PolarHBondContact O-OG1 3.02Å; L553-T556 VanDerWaalsContact O-OG1 3.05Å; T556-L559 PolarHBondContact O-N 2.99Å; T556-I560 WeakPolarHBondContact O-CB 3.3Å; T556-I560 WeakPolarHBondContact O-CG1 3.12Å; T556-I560 PolarHBondContact O-N 3.24Å
557	F	91.2	Very high	89.8	Confident	30 Å²	30	41.1 Å²	41.1	13%	0.132	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-51.6	169.7	-179.6	-116.7	0	0	0	111.9	L553 M554 C555 L559 I560 A561 F619 L622 T623 M651 I655	L553-F557 PolarHBondContact O-N 3.21Å; L553-F557 VanDerWaalsContact O-N 3.08Å; M554-F557 PolarHBondContact O-N 2.71Å; C555-F557 VanDerWaalsContact C-N 3.35Å; F557-L559 PolarHBondContact O-N 3.21Å; F557-I560 PolarHBondContact O-N 2.74Å; F557-A561 PolarHBondContact O-N 2.75Å; F557-F619 HydrophobicContact CD1-CE1 4.07Å; F557-F619 AromaticContact CE1-CD1 3.88Å; F557-F619 HydrophobicContact CE1-CD1 3.88Å; F557-F619 AromaticContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CZ-CD1 4.12Å; F557-F619 HydrophobicContact CZ-CE1 4.24Å; F557-L622 HydrophobicContact CE2-CB 4.06Å; F557-L622 HydrophobicContact CE2-CD1 4.5Å; F557-L622 HydrophobicContact CZ-CB 4.34Å; F557-T623 HydrophobicContact CE1-CG2 4.44Å; F557-T623 HydrophobicContact CZ-CG2 3.83Å; F557-M651 HydrophobicContact CB-CE 4.48Å; F557-M651 HydrophobicContact CD2-CE 4.07Å; F557-I655 HydrophobicContact CB-CD1 3.74Å; F557-I655 HydrophobicContact CD2-CD1 3.38Å; F557-I655 HydrophobicContact CE2-CD1 4.11Å; F557-I655 HydrophobicContact CG-CD1 3.65Å
558	A	92.8	Very high	90.5	Very high	43 Å²	43	37.3 Å²	37.3	36%	0.355	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-38.4	178.4	0	0	0	0	0	113.1	M554 C555 A561 H562 F619	M554-A558 PolarHBondContact O-N 2.67Å; M554-A558 VanDerWaalsContact O-N 3.08Å; C555-A558 PolarHBondContact O-N 3.44Å; A558-A561 PolarHBondContact O-N 2.7Å; A558-H562 WeakPolarHBondContact O-CB 3.36Å; A558-H562 PolarHBondContact O-N 3.41Å; A558-F619 HydrophobicContact CB-CZ 4.3Å
559	L	93.4	Very high	91	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-40.4	176.2	-75.2	166.9	0	0	0	112.2	A422 V423 C555 T556 F557 H562 W563	A422-L559 HydrophobicContact CB-CD1 4.46Å; A422-L559 HydrophobicContact CB-CD2 3.82Å; V423-L559 HydrophobicContact CG2-CD2 3.6Å; C555-L559 WeakPolarHBondContact O-CB 3.45Å; C555-L559 VanDerWaalsContact O-CG 3.24Å; C555-L559 WeakPolarHBondContact O-CG 3.46Å; C555-L559 PolarHBondContact O-N 3.28Å; T556-L559 PolarHBondContact O-N 2.99Å; F557-L559 PolarHBondContact O-N 3.21Å; L559-H562 WeakPolarHBondContact O-CB 3.46Å; L559-H562 PolarHBondContact O-N 2.92Å; L559-W563 VanDerWaalsContact O-CD1 3.24Å; L559-W563 PolarHBondContact O-N 2.95Å
560	I	93.7	Very high	91.2	Very high	48 Å²	48	37.2 Å²	37.2	25%	0.246	20%	0.197	C	C	.	.	H	α-helix	trans	-71.8	-38.1	178.1	-70.2	164.1	0	0	0	110.8	T556 F557 H562 W563 L564 M651	T556-I560 WeakPolarHBondContact O-CB 3.3Å; T556-I560 WeakPolarHBondContact O-CG1 3.12Å; T556-I560 PolarHBondContact O-N 3.24Å; F557-I560 PolarHBondContact O-N 2.74Å; I560-H562 VanDerWaalsContact C-N 3.3Å; I560-H562 PolarHBondContact O-N 2.69Å; I560-W563 PolarHBondContact O-N 3.22Å; I560-L564 HydrophobicContact CG2-CD1 3.8Å; I560-L564 HydrophobicContact CG2-CG 4.36Å; I560-L564 WeakPolarHBondContact O-CB 3.17Å; I560-L564 VanDerWaalsContact O-CG 3.26Å; I560-L564 WeakPolarHBondContact O-CG 3.34Å; I560-L564 PolarHBondContact O-N 3.17Å; I560-M651 HydrophobicContact CB-CE 4.03Å; I560-M651 HydrophobicContact CB-SD 4.14Å; I560-M651 HydrophobicContact CD1-CE 3.45Å; I560-M651 VanDerWaalsContact CD1-CE 3.45Å; I560-M651 HydrophobicContact CD1-SD 3.85Å; I560-M651 HydrophobicContact CG1-CE 4.3Å; I560-M651 HydrophobicContact CG2-CE 4.22Å; I560-M651 HydrophobicContact CG2-SD 3.65Å
561	A	94.9	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-42.2	170.8	0	0	0	0	0	112.2	F557 A558 A565 T618 F619 L622	F557-A561 PolarHBondContact O-N 2.75Å; A558-A561 PolarHBondContact O-N 2.7Å; A561-A565 WeakPolarHBondContact O-CB 3.2Å; A561-A565 PolarHBondContact O-N 3.28Å; A561-T618 PolarHBondContact O-OG1 3.27Å; A561-F619 HydrophobicContact CB-CD1 3.91Å; A561-F619 HydrophobicContact CB-CD2 4.09Å; A561-F619 HydrophobicContact CB-CE1 3.67Å; A561-F619 HydrophobicContact CB-CE2 3.86Å; A561-F619 HydrophobicContact CB-CG 4.11Å; A561-F619 HydrophobicContact CB-CZ 3.64Å; A561-L622 HydrophobicContact CB-CD1 3.57Å
562	H	95.5	Very high	91.6	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-46.5	175.2	175.3	59.9	0	0	0	113.4	V423 A558 L559 I560 L564 A565 C566 Y611 L615	V423-H562 PolarHBondContact O-NE2 2.99Å; A558-H562 WeakPolarHBondContact O-CB 3.36Å; A558-H562 PolarHBondContact O-N 3.41Å; L559-H562 WeakPolarHBondContact O-CB 3.46Å; L559-H562 PolarHBondContact O-N 2.92Å; I560-H562 VanDerWaalsContact C-N 3.3Å; I560-H562 PolarHBondContact O-N 2.69Å; H562-L564 PolarHBondContact O-N 3.02Å; H562-A565 WeakPolarHBondContact O-CB 3.2Å; H562-A565 PolarHBondContact O-N 2.91Å; H562-A565 VanDerWaalsContact O-N 3.15Å; H562-C566 VanDerWaalsContact CE1-SG 3.56Å; H562-C566 PolarHBondContact O-N 2.78Å; H562-C566 PolarHBondContact O-SG 3.37Å; H562-Y611 AromaticContact CE1-CE2 3.69Å; H562-Y611 AromaticContact ND1-CE2 3.53Å; H562-Y611 AromaticContact ND1-CZ 3.82Å; H562-Y611 PolarHBondContact ND1-OH 3.06Å; H562-L615 HydrophobicContact CB-CD1 4.34Å
563	W	95.3	Very high	91.5	Very high	83 Å²	83	31.4 Å²	31.4	31%	0.314	17%	0.174	S	C	.	.	H	α-helix	trans	-63.8	-42.9	177.5	-64.7	-5.8	0	0	0	111.8	A422 L532 L559 I560 A565 C566 I567	A422-W563 HydrophobicContact CB-CZ2 4.38Å; A422-W563 PolarHBondContact O-NE1 3.31Å; L532-W563 HydrophobicContact CD1-CH2 3.73Å; L532-W563 HydrophobicContact CD1-CZ2 3.57Å; L559-W563 VanDerWaalsContact O-CD1 3.24Å; L559-W563 PolarHBondContact O-N 2.95Å; I560-W563 PolarHBondContact O-N 3.22Å; W563-A565 VanDerWaalsContact C-N 3.28Å; W563-A565 PolarHBondContact O-N 3.06Å; W563-C566 PolarHBondContact O-N 2.93Å; W563-I567 VanDerWaalsContact O-CG1 3.32Å; W563-I567 WeakPolarHBondContact O-CG1 3.26Å; W563-I567 PolarHBondContact O-N 2.89Å
564	L	95.1	Very high	91.3	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-34.7	174.2	-68.4	169.6	0	0	0	111.2	I560 H562 I567 W568 T618 L622 F640 V644	I560-L564 HydrophobicContact CG2-CD1 3.8Å; I560-L564 HydrophobicContact CG2-CG 4.36Å; I560-L564 WeakPolarHBondContact O-CB 3.17Å; I560-L564 VanDerWaalsContact O-CG 3.26Å; I560-L564 WeakPolarHBondContact O-CG 3.34Å; I560-L564 PolarHBondContact O-N 3.17Å; H562-L564 PolarHBondContact O-N 3.02Å; L564-I567 PolarHBondContact O-N 3.43Å; L564-W568 VanDerWaalsContact O-CB 3.26Å; L564-W568 WeakPolarHBondContact O-CB 3.42Å; L564-W568 PolarHBondContact O-N 3.05Å; L564-T618 HydrophobicContact CB-CG2 3.94Å; L564-L622 HydrophobicContact CD1-CD1 4.13Å; L564-L622 HydrophobicContact CD1-CD2 4Å; L564-L622 HydrophobicContact CD1-CG 4.39Å; L564-F640 HydrophobicContact CB-CZ 4.09Å; L564-F640 HydrophobicContact CD2-CE2 3.89Å; L564-F640 HydrophobicContact CD2-CZ 3.89Å; L564-F640 WeakPolarHBondContact O-CZ 3.48Å; L564-V644 HydrophobicContact CD1-CG2 4.2Å; L564-V644 HydrophobicContact CD2-CG2 4.11Å
565	A	95.3	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-39.5	174.5	0	0	0	0	0	112.3	A561 H562 W563 W568 Y569 A614 L615 T618	A561-A565 WeakPolarHBondContact O-CB 3.2Å; A561-A565 PolarHBondContact O-N 3.28Å; H562-A565 WeakPolarHBondContact O-CB 3.2Å; H562-A565 PolarHBondContact O-N 2.91Å; H562-A565 VanDerWaalsContact O-N 3.15Å; W563-A565 VanDerWaalsContact C-N 3.28Å; W563-A565 PolarHBondContact O-N 3.06Å; A565-W568 PolarHBondContact O-N 2.86Å; A565-Y569 PolarHBondContact O-N 2.84Å; A565-A614 HydrophobicContact CB-CB 4.12Å; A565-L615 HydrophobicContact CB-CB 4.19Å; A565-L615 HydrophobicContact CB-CD1 3.98Å; A565-T618 HydrophobicContact CB-CG2 4.34Å
566	C	93.4	Very high	90.2	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-41.2	173.9	-61.8	0	0	0	0	111.5	P426 A430 H562 W563 Y569 A570	P426-C566 HydrophobicContact CB-CB 4.3Å; A430-C566 HydrophobicContact CB-CB 3.94Å; H562-C566 VanDerWaalsContact CE1-SG 3.56Å; H562-C566 PolarHBondContact O-N 2.78Å; H562-C566 PolarHBondContact O-SG 3.37Å; W563-C566 PolarHBondContact O-N 2.93Å; C566-Y569 PolarHBondContact O-N 2.93Å; C566-A570 WeakPolarHBondContact O-CB 3.07Å; C566-A570 PolarHBondContact O-N 2.56Å
567	I	93.1	Very high	89.1	Confident	82 Å²	82	36.4 Å²	36.4	42%	0.421	20%	0.198	S	C	.	.	H	α-helix	trans	-67.9	-42.1	176.4	-64.8	162.2	0	0	0	111.2	W563 L564 Y569 A570 I571 F640	W563-I567 VanDerWaalsContact O-CG1 3.32Å; W563-I567 WeakPolarHBondContact O-CG1 3.26Å; W563-I567 PolarHBondContact O-N 2.89Å; L564-I567 PolarHBondContact O-N 3.43Å; I567-Y569 VanDerWaalsContact C-N 3.3Å; I567-Y569 PolarHBondContact O-N 3.14Å; I567-A570 PolarHBondContact O-N 2.78Å; I567-A570 VanDerWaalsContact O-N 3.16Å; I567-I571 HydrophobicContact CG2-CD1 4.03Å; I567-I571 HydrophobicContact CG2-CG1 4.47Å; I567-I571 WeakPolarHBondContact O-CG1 3.48Å; I567-I571 PolarHBondContact O-N 2.92Å; I567-F640 HydrophobicContact CB-CE2 4.04Å; I567-F640 HydrophobicContact CB-CZ 4.38Å; I567-F640 HydrophobicContact CG2-CD2 4.05Å; I567-F640 HydrophobicContact CG2-CE2 3.5Å; I567-F640 VanDerWaalsContact CG2-CE2 3.5Å; I567-F640 HydrophobicContact CG2-CZ 4.25Å
568	W	94.6	Very high	87.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-39.4	175.5	179	-111	0	0	0	112.6	L564 A565 G572 W585 F617 T618 V630 P632 E637 F640	L564-W568 VanDerWaalsContact O-CB 3.26Å; L564-W568 WeakPolarHBondContact O-CB 3.42Å; L564-W568 PolarHBondContact O-N 3.05Å; A565-W568 PolarHBondContact O-N 2.86Å; W568-G572 PolarHBondContact O-N 2.79Å; W568-W585 AromaticContact CD1-CE2 3.55Å; W568-W585 AromaticContact CD1-CH2 3.85Å; W568-W585 AromaticContact CD1-CZ2 3.4Å; W568-W585 AromaticContact CD1-NE1 3.91Å; W568-W585 AromaticContact CD2-NE1 3.95Å; W568-W585 AromaticContact CE2-CD1 3.62Å; W568-W585 AromaticContact CE2-CD2 3.71Å; W568-W585 AromaticContact CE2-CE2 3.68Å; W568-W585 AromaticContact CE2-CG 3.71Å; W568-W585 AromaticContact CE2-NE1 3.58Å; W568-W585 HydrophobicContact CG-CZ2 4.3Å; W568-W585 HydrophobicContact CH2-CB 4.38Å; W568-W585 HydrophobicContact CH2-CG 4.27Å; W568-W585 HydrophobicContact CZ2-CB 3.72Å; W568-W585 AromaticContact CZ2-CD1 3.53Å; W568-W585 AromaticContact CZ2-CD2 3.9Å; W568-W585 HydrophobicContact CZ2-CD2 3.9Å; W568-W585 AromaticContact CZ2-CG 3.44Å; W568-W585 HydrophobicContact CZ2-CG 3.44Å; W568-W585 VanDerWaalsContact CZ2-CG 3.44Å; W568-W585 AromaticContact NE1-CD1 3.92Å; W568-W585 AromaticContact NE1-CD2 3.28Å; W568-W585 VanDerWaalsContact NE1-CD2 3.28Å; W568-W585 AromaticContact NE1-CE2 3.14Å; W568-W585 AromaticContact NE1-CE3 3.62Å; W568-W585 AromaticContact NE1-CG 3.81Å; W568-W585 AromaticContact NE1-CH2 3.77Å; W568-W585 AromaticContact NE1-CZ2 3.42Å; W568-W585 AromaticContact NE1-CZ3 3.83Å; W568-W585 AromaticContact NE1-NE1 3.53Å; W568-W585 PolarHBondContact O-NE1 3.1Å; W568-W585 VanDerWaalsContact O-NE1 3.17Å; W568-F617 AromaticContact CD1-CD1 3.89Å; W568-F617 AromaticContact CD2-CD1 3.63Å; W568-F617 HydrophobicContact CD2-CD1 3.63Å; W568-F617 AromaticContact CD2-CE1 3.58Å; W568-F617 HydrophobicContact CD2-CE1 3.58Å; W568-F617 AromaticContact CE2-CD1 3.42Å; W568-F617 VanDerWaalsContact CE2-CD1 3.42Å; W568-F617 AromaticContact CE2-CE1 3.57Å; W568-F617 HydrophobicContact CE3-CD1 4.23Å; W568-F617 AromaticContact CE3-CE1 3.69Å; W568-F617 HydrophobicContact CE3-CE1 3.69Å; W568-F617 AromaticContact CG-CD1 3.91Å; W568-F617 HydrophobicContact CG-CD1 3.91Å; W568-F617 HydrophobicContact CG-CE1 4.26Å; W568-F617 HydrophobicContact CH2-CD1 4.39Å; W568-F617 AromaticContact CH2-CE1 3.74Å; W568-F617 HydrophobicContact CH2-CE1 3.74Å; W568-F617 AromaticContact CH2-CZ 3.87Å; W568-F617 HydrophobicContact CH2-CZ 3.87Å; W568-F617 AromaticContact CZ2-CD1 3.85Å; W568-F617 HydrophobicContact CZ2-CD1 3.85Å; W568-F617 AromaticContact CZ2-CE1 3.67Å; W568-F617 HydrophobicContact CZ2-CE1 3.67Å; W568-F617 HydrophobicContact CZ2-CE2 4.46Å; W568-F617 HydrophobicContact CZ2-CG 4.32Å; W568-F617 HydrophobicContact CZ2-CZ 4Å; W568-F617 AromaticContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CZ 4.14Å; W568-F617 AromaticContact NE1-CD1 3.6Å; W568-T618 HydrophobicContact CB-CG2 4.41Å; W568-V630 HydrophobicContact CZ2-CG1 4.23Å; W568-P632 HydrophobicContact CH2-CB 4.05Å; W568-E637 HydrophobicContact CH2-CB 3.79Å; W568-E637 HydrophobicContact CH2-CG 3.79Å; W568-E637 HydrophobicContact CZ3-CB 3.72Å; W568-E637 HydrophobicContact CZ3-CG 3.81Å; W568-F640 HydrophobicContact CB-CE1 3.87Å; W568-F640 HydrophobicContact CB-CZ 4.19Å; W568-F640 HydrophobicContact CD2-CD1 4.39Å; W568-F640 HydrophobicContact CD2-CE1 4.24Å; W568-F640 AromaticContact CE3-CD1 3.37Å; W568-F640 HydrophobicContact CE3-CD1 3.37Å; W568-F640 AromaticContact CE3-CE1 3.64Å; W568-F640 HydrophobicContact CE3-CE1 3.64Å; W568-F640 HydrophobicContact CE3-CG 4.34Å; W568-F640 HydrophobicContact CG-CE1 4.39Å; W568-F640 AromaticContact CZ3-CD1 3.88Å; W568-F640 HydrophobicContact CZ3-CD1 3.88Å; W568-F640 HydrophobicContact CZ3-CE1 4.5Å
569	Y	91.9	Very high	86.1	Confident	12 Å²	12	44.3 Å²	44.3	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-42.6	171.9	-178.7	-113.8	0	0	0	112.9	A430 F431 A565 C566 I567 I571 G572 N573 W585 L586 K610	A430-Y569 VanDerWaalsContact O-CE1 3.3Å; A430-Y569 WeakPolarHBondContact O-CE1 3.43Å; F431-Y569 AromaticContact CD1-CD1 3.41Å; F431-Y569 HydrophobicContact CD1-CD1 3.41Å; F431-Y569 VanDerWaalsContact CD1-CD1 3.41Å; F431-Y569 AromaticContact CD1-CE1 3.49Å; F431-Y569 HydrophobicContact CD1-CE1 3.49Å; F431-Y569 VanDerWaalsContact CD1-CE1 3.49Å; F431-Y569 HydrophobicContact CD1-CG 4.01Å; F431-Y569 HydrophobicContact CD2-CD1 4.21Å; F431-Y569 AromaticContact CE1-CD1 3.25Å; F431-Y569 HydrophobicContact CE1-CD1 3.25Å; F431-Y569 AromaticContact CE1-CD2 3.92Å; F431-Y569 HydrophobicContact CE1-CD2 3.92Å; F431-Y569 AromaticContact CE1-CE1 3.75Å; F431-Y569 HydrophobicContact CE1-CE1 3.75Å; F431-Y569 HydrophobicContact CE1-CE2 4.38Å; F431-Y569 AromaticContact CE1-CG 3.36Å; F431-Y569 HydrophobicContact CE1-CG 3.36Å; F431-Y569 HydrophobicContact CE2-CD1 4.07Å; F431-Y569 HydrophobicContact CE2-CG 4.41Å; F431-Y569 AromaticContact CG-CD1 3.91Å; F431-Y569 HydrophobicContact CG-CD1 3.91Å; F431-Y569 HydrophobicContact CG-CE1 4.07Å; F431-Y569 AromaticContact CZ-CD1 3.6Å; F431-Y569 HydrophobicContact CZ-CD1 3.6Å; F431-Y569 HydrophobicContact CZ-CD2 4.47Å; F431-Y569 HydrophobicContact CZ-CE1 4.49Å; F431-Y569 AromaticContact CZ-CG 3.59Å; F431-Y569 HydrophobicContact CZ-CG 3.59Å; A565-Y569 PolarHBondContact O-N 2.84Å; C566-Y569 PolarHBondContact O-N 2.93Å; I567-Y569 VanDerWaalsContact C-N 3.3Å; I567-Y569 PolarHBondContact O-N 3.14Å; Y569-I571 VanDerWaalsContact C-N 3.34Å; Y569-I571 PolarHBondContact O-N 3.46Å; Y569-G572 PolarHBondContact O-N 3.34Å; Y569-N573 PolarHBondContact O-N 2.69Å; Y569-W585 HydrophobicContact CD2-CZ2 4.3Å; Y569-L586 HydrophobicContact CE2-CD1 4.45Å; Y569-L586 HydrophobicContact CE2-CD2 4.19Å; Y569-K610 HydrophobicContact CD2-CB 4.48Å; Y569-K610 HydrophobicContact CE2-CB 4.31Å; Y569-K610 HydrophobicContact CE2-CD 4.06Å; Y569-K610 HydrophobicContact CE2-CG 4.35Å
570	A	88.8	Confident	84.3	Confident	39 Å²	39	51.9 Å²	51.9	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-43.2	176.4	0	0	0	0	0	112.2	C566 I567 N573 M574	C566-A570 WeakPolarHBondContact O-CB 3.07Å; C566-A570 PolarHBondContact O-N 2.56Å; I567-A570 PolarHBondContact O-N 2.78Å; I567-A570 VanDerWaalsContact O-N 3.16Å; A570-N573 PolarHBondContact O-N 2.91Å; A570-M574 WeakPolarHBondContact O-CB 3.22Å; A570-M574 WeakPolarHBondContact O-CG 3.23Å; A570-M574 PolarHBondContact O-N 2.82Å
571	I	89.6	Confident	82.7	Confident	35 Å²	35	53 Å²	53	18%	0.179	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-53	173.4	-66.9	163.8	0	0	0	110.3	I567 Y569 N573 M574 E575 S636 E637 F640	I567-I571 HydrophobicContact CG2-CD1 4.03Å; I567-I571 HydrophobicContact CG2-CG1 4.47Å; I567-I571 WeakPolarHBondContact O-CG1 3.48Å; I567-I571 PolarHBondContact O-N 2.92Å; Y569-I571 VanDerWaalsContact C-N 3.34Å; Y569-I571 PolarHBondContact O-N 3.46Å; I571-N573 VanDerWaalsContact C-N 3.29Å; I571-N573 PolarHBondContact O-N 2.86Å; I571-M574 PolarHBondContact O-N 2.76Å; I571-M574 VanDerWaalsContact O-N 3.16Å; I571-E575 PolarHBondContact O-N 3.34Å; I571-S636 WeakPolarHBondContact CG2-OG 3.25Å; I571-E637 HydrophobicContact CG2-CG 4.43Å; I571-F640 HydrophobicContact CD1-CB 3.89Å; I571-F640 HydrophobicContact CD1-CD1 4.45Å; I571-F640 HydrophobicContact CD1-CD2 3.71Å; I571-F640 HydrophobicContact CD1-CE2 4.37Å; I571-F640 HydrophobicContact CD1-CG 3.75Å
572	G	87	Confident	81.4	Confident	8 Å²	8	58.9 Å²	58.9	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-29.2	-178.2	0	0	0	0	0	114.8	W568 Y569	W568-G572 PolarHBondContact O-N 2.79Å; Y569-G572 PolarHBondContact O-N 3.34Å
573	N	82.9	Confident	80.7	Confident	30 Å²	30	62.5 Å²	62.5	16%	0.16	32%	0.322	C	S	.	.	H	α-helix	trans	-82	-32.1	174.7	-177.6	80.3	0	0	0	112.6	K434 Y569 A570 I571 Q576 P577	K434-N573 PolarHBondContact NZ-OD1 3.45Å; Y569-N573 PolarHBondContact O-N 2.69Å; A570-N573 PolarHBondContact O-N 2.91Å; I571-N573 VanDerWaalsContact C-N 3.29Å; I571-N573 PolarHBondContact O-N 2.86Å; N573-Q576 WeakPolarHBondContact O-CB 3.4Å; N573-Q576 PolarHBondContact O-N 2.78Å; N573-P577 WeakPolarHBondContact O-CD 3.25Å
574	M	81.3	Confident	80.2	Confident	119 Å²	119	59.1 Å²	59.1	59%	0.586	31%	0.313	S	S	*	.	H	α-helix	trans	-78.4	-28.8	179.5	-70.5	-68	163.8	0	0	113.6	A570 I571 H578	A570-M574 WeakPolarHBondContact O-CB 3.22Å; A570-M574 WeakPolarHBondContact O-CG 3.23Å; A570-M574 PolarHBondContact O-N 2.82Å; I571-M574 PolarHBondContact O-N 2.76Å; I571-M574 VanDerWaalsContact O-N 3.16Å; M574-H578 PolarHBondContact O-ND1 2.79Å
575	E	81.4	Confident	80	Confident	48 Å²	48	58.4 Å²	58.4	22%	0.224	31%	0.309	C	S	.	.	S	Bend	trans	-77.1	-20.7	170.4	-66	-163.5	145.6	0	0	112.7	I571 H578 M579 T634 S636	I571-E575 PolarHBondContact O-N 3.34Å; E575-H578 PolarHBondContact O-N 3.06Å; E575-H578 VanDerWaalsContact O-N 3.08Å; E575-M579 PolarHBondContact O-N 3.42Å; E575-T634 WeakPolarHBondContact OE2-CB 3.49Å; E575-T634 WeakPolarHBondContact OE2-CG2 3.28Å; E575-T634 PolarHBondContact OE2-OG1 2.67Å; E575-S636 VanDerWaalsContact OE1-CB 3.32Å; E575-S636 WeakPolarHBondContact OE1-CB 3.33Å; E575-S636 PolarHBondContact OE1-OG 2.83Å; E575-S636 PolarHBondContact OE2-OG 3.49Å
576	Q	73.8	Confident	79.6	Confident	37 Å²	37	58.6 Å²	58.6	17%	0.173	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.8	-45.5	-175.8	-168.6	178.4	4.7	0	0	115	N573 H578 Y597	N573-Q576 WeakPolarHBondContact O-CB 3.4Å; N573-Q576 PolarHBondContact O-N 2.78Å; Q576-H578 VanDerWaalsContact C-N 3.32Å; Q576-Y597 VanDerWaalsContact NE2-CE1 3.32Å
577	P	65.4	Low	79.3	Confident	103 Å²	103	59.8 Å²	59.8	67%	0.669	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-81.7	-5.2	177.7	32.6	-36.3	0	0	0	114.3	N573	N573-P577 WeakPolarHBondContact O-CD 3.25Å
578	H	62.1	Low	79	Confident	157 Å²	157	58.2 Å²	58.2	73%	0.727	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-105.6	2.7	-172.9	-69.4	106.9	0	0	0	114.2	M574 E575 Q576	M574-H578 PolarHBondContact O-ND1 2.79Å; E575-H578 PolarHBondContact O-N 3.06Å; E575-H578 VanDerWaalsContact O-N 3.08Å; Q576-H578 VanDerWaalsContact C-N 3.32Å
579	M	59.3	Low	78.8	Confident	82 Å²	82	58.6 Å²	58.6	40%	0.404	31%	0.31	S	S	.	.			trans	-134.4	121.5	179.3	-77.5	-163.1	168.9	0	0	113	E575 S581 I583 T634	E575-M579 PolarHBondContact O-N 3.42Å; M579-S581 PolarHBondContact O-N 3.27Å; M579-S581 VanDerWaalsContact O-N 3.14Å; M579-I583 HydrophobicContact CE-CD1 4.41Å; M579-I583 HydrophobicContact SD-CD1 3.92Å; M579-I583 HydrophobicContact SD-CG1 3.94Å; M579-T634 HydrophobicContact SD-CG2 4.49Å
580	D	56.4	Low	78.5	Confident	176 Å²	176	58 Å²	58	94%	0.941	31%	0.307	S	S	*	.	S	Bend	trans	-66	-9.6	168.6	-55.5	-62.1	0	0	0	113.4
581	S	59.1	Low	78.4	Confident	70 Å²	70	60.4 Å²	60.4	49%	0.49	32%	0.315	S	S	.	.	S	Bend	trans	-109.5	125.2	-173	-68.1	0	0	0	0	112	M579 I583	M579-S581 PolarHBondContact O-N 3.27Å; M579-S581 VanDerWaalsContact O-N 3.14Å; S581-I583 PolarHBondContact O-N 3.19Å
582	R	68.8	Low	78.3	Confident	125 Å²	125	63.9 Å²	63.9	47%	0.472	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	46.7	-177.8	-60.1	-177.8	177.7	-153.4	-4.5	114.1	H587 Y597	R582-H587 HydrophobicContact CB-CB 4.23Å; R582-Y597 PolarHBondContact NH1-O 3.21Å; R582-Y597 PolarHBondContact NH2-O 3.27Å
583	I	79.9	Confident	78.3	Confident	84 Å²	84	66.5 Å²	66.5	43%	0.431	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-21.6	-169.7	59.2	170.6	0	0	0	115.2	M579 S581 N633 T634	M579-I583 HydrophobicContact CE-CD1 4.41Å; M579-I583 HydrophobicContact SD-CD1 3.92Å; M579-I583 HydrophobicContact SD-CG1 3.94Å; S581-I583 PolarHBondContact O-N 3.19Å; I583-N633 VanDerWaalsContact O-CB 3.24Å; I583-N633 WeakPolarHBondContact O-CB 3.3Å; I583-N633 PolarHBondContact O-ND2 2.91Å; I583-T634 HydrophobicContact CG1-CG2 4.42Å
584	G	85.6	Confident	78.3	Confident	11 Å²	11	68 Å²	68	11%	0.113	36%	0.363	C	S	.	.	S	Bend	trans	-67.5	156.3	-179.1	0	0	0	0	0	114	L586 H587 N588 E637	G584-L586 PolarHBondContact O-N 3.37Å; G584-L586 VanDerWaalsContact O-N 3.08Å; G584-H587 PolarHBondContact O-N 3.27Å; G584-N588 PolarHBondContact O-N 3.37Å; G584-E637 WeakPolarHBondContact CA-OE1 3.32Å
585	W	89.6	Confident	78.6	Confident	3 Å²	3	66.4 Å²	66.4	1%	0.011	35%	0.353	C	S	.	.	H	α-helix	trans	-55.3	-33.5	-171.8	81.6	-94.7	0	0	0	113.5	W568 Y569 L589 T613 A614 V630 E637	W568-W585 AromaticContact CD1-CE2 3.55Å; W568-W585 AromaticContact CD1-CH2 3.85Å; W568-W585 AromaticContact CD1-CZ2 3.4Å; W568-W585 AromaticContact CD1-NE1 3.91Å; W568-W585 AromaticContact CD2-NE1 3.95Å; W568-W585 AromaticContact CE2-CD1 3.62Å; W568-W585 AromaticContact CE2-CD2 3.71Å; W568-W585 AromaticContact CE2-CE2 3.68Å; W568-W585 AromaticContact CE2-CG 3.71Å; W568-W585 AromaticContact CE2-NE1 3.58Å; W568-W585 HydrophobicContact CG-CZ2 4.3Å; W568-W585 HydrophobicContact CH2-CB 4.38Å; W568-W585 HydrophobicContact CH2-CG 4.27Å; W568-W585 HydrophobicContact CZ2-CB 3.72Å; W568-W585 AromaticContact CZ2-CD1 3.53Å; W568-W585 AromaticContact CZ2-CD2 3.9Å; W568-W585 HydrophobicContact CZ2-CD2 3.9Å; W568-W585 AromaticContact CZ2-CG 3.44Å; W568-W585 HydrophobicContact CZ2-CG 3.44Å; W568-W585 VanDerWaalsContact CZ2-CG 3.44Å; W568-W585 AromaticContact NE1-CD1 3.92Å; W568-W585 AromaticContact NE1-CD2 3.28Å; W568-W585 VanDerWaalsContact NE1-CD2 3.28Å; W568-W585 AromaticContact NE1-CE2 3.14Å; W568-W585 AromaticContact NE1-CE3 3.62Å; W568-W585 AromaticContact NE1-CG 3.81Å; W568-W585 AromaticContact NE1-CH2 3.77Å; W568-W585 AromaticContact NE1-CZ2 3.42Å; W568-W585 AromaticContact NE1-CZ3 3.83Å; W568-W585 AromaticContact NE1-NE1 3.53Å; W568-W585 PolarHBondContact O-NE1 3.1Å; W568-W585 VanDerWaalsContact O-NE1 3.17Å; Y569-W585 HydrophobicContact CD2-CZ2 4.3Å; W585-L589 HydrophobicContact CZ3-CD2 3.89Å; W585-L589 PolarHBondContact O-N 2.89Å; W585-T613 HydrophobicContact CZ3-CG2 3.88Å; W585-A614 HydrophobicContact CH2-CB 3.96Å; W585-A614 HydrophobicContact CZ2-CB 4.42Å; W585-V630 HydrophobicContact CE3-CG1 4Å; W585-E637 VanDerWaalsContact CD1-OE1 3.25Å; W585-E637 PolarHBondContact N-OE1 3.05Å
586	L	87.9	Confident	78.6	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-70.5	-29.7	-178.5	-175.2	58.5	0	0	0	113.1	Y569 G584 G590 Y597 K610	Y569-L586 HydrophobicContact CE2-CD1 4.45Å; Y569-L586 HydrophobicContact CE2-CD2 4.19Å; G584-L586 PolarHBondContact O-N 3.37Å; G584-L586 VanDerWaalsContact O-N 3.08Å; L586-G590 PolarHBondContact O-N 3.49Å; L586-Y597 HydrophobicContact CG-CE2 4.04Å; L586-Y597 WeakPolarHBondContact CG-OH 3.44Å; L586-K610 HydrophobicContact CD1-CD 4.49Å; L586-K610 HydrophobicContact CD1-CG 3.98Å
587	H	86.5	Confident	78.7	Confident	31 Å²	31	66.1 Å²	66.1	14%	0.144	36%	0.357	C	S	.	.	H	α-helix	trans	-73.8	-48.8	173.2	-74.1	102.1	0	0	0	110.9	R582 G584 L589 G590 D591 Y597	R582-H587 HydrophobicContact CB-CB 4.23Å; G584-H587 PolarHBondContact O-N 3.27Å; H587-L589 PolarHBondContact O-N 3.28Å; H587-G590 WeakPolarHBondContact O-CA 3.29Å; H587-G590 PolarHBondContact O-N 2.96Å; H587-D591 PolarHBondContact O-N 3.03Å; H587-Y597 AromaticContact CD2-CD2 3.95Å
588	N	87.7	Confident	79.2	Confident	49 Å²	49	66.2 Å²	66.2	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-52.9	-41.6	173.9	-178	12.1	0	0	0	111.6	G584 D591 Q592	G584-N588 PolarHBondContact O-N 3.37Å; N588-D591 PolarHBondContact O-N 2.86Å; N588-Q592 WeakPolarHBondContact O-CB 3.32Å; N588-Q592 VanDerWaalsContact O-CG 3.32Å; N588-Q592 WeakPolarHBondContact O-CG 3.46Å; N588-Q592 PolarHBondContact O-N 2.89Å; N588-Q592 PolarHBondContact OD1-NE2 3Å
589	L	89.3	Confident	79.2	Confident	8 Å²	8	64 Å²	64	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-42	173.3	-178.3	61.4	0	0	0	113.3	W585 H587 D591 Q592 I593 P605 T613	W585-L589 HydrophobicContact CZ3-CD2 3.89Å; W585-L589 PolarHBondContact O-N 2.89Å; H587-L589 PolarHBondContact O-N 3.28Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D591 PolarHBondContact O-N 2.6Å; L589-Q592 PolarHBondContact O-N 3.15Å; L589-I593 HydrophobicContact CD1-CD1 3.45Å; L589-I593 VanDerWaalsContact CD1-CD1 3.45Å; L589-I593 HydrophobicContact CD1-CG1 3.96Å; L589-I593 HydrophobicContact CG-CD1 3.91Å; L589-I593 WeakPolarHBondContact O-CB 3.5Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3.11Å; L589-P605 HydrophobicContact CD2-CG 4.3Å; L589-P605 HydrophobicContact CG-CG 4.39Å; L589-T613 HydrophobicContact CD1-CG2 3.74Å; L589-T613 HydrophobicContact CD2-CG2 3.88Å; L589-T613 HydrophobicContact CG-CG2 4.38Å
590	G	86.4	Confident	79.3	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-43.8	176.8	0	0	0	0	0	111.8	L586 H587 I593 G594 K595	L586-G590 PolarHBondContact O-N 3.49Å; H587-G590 WeakPolarHBondContact O-CA 3.29Å; H587-G590 PolarHBondContact O-N 2.96Å; G590-I593 PolarHBondContact O-N 3.22Å; G590-G594 PolarHBondContact O-N 3.16Å; G590-G594 VanDerWaalsContact O-N 3.14Å; G590-K595 VanDerWaalsContact CA-O 3.3Å; G590-K595 WeakPolarHBondContact CA-O 3.23Å; G590-K595 CarbonylContact O-C 3.2Å; G590-K595 PolarHBondContact O-N 3.44Å
591	D	86.7	Confident	79.5	Confident	89 Å²	89	57.6 Å²	57.6	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-68.2	-44.9	178.1	-62.8	-27.2	0	0	0	111.6	H587 N588 L589 I593 G594	H587-D591 PolarHBondContact O-N 3.03Å; N588-D591 PolarHBondContact O-N 2.86Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D591 PolarHBondContact O-N 2.6Å; D591-I593 VanDerWaalsContact C-N 3.31Å; D591-I593 PolarHBondContact O-N 3.49Å; D591-G594 PolarHBondContact O-N 2.94Å; D591-G594 VanDerWaalsContact O-N 3.14Å
592	Q	86.8	Confident	79.7	Confident	107 Å²	107	60 Å²	60	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-34.6	176.1	-74.2	-178.9	34.3	0	0	113.7	N588 L589 N629	N588-Q592 WeakPolarHBondContact O-CB 3.32Å; N588-Q592 VanDerWaalsContact O-CG 3.32Å; N588-Q592 WeakPolarHBondContact O-CG 3.46Å; N588-Q592 PolarHBondContact O-N 2.89Å; N588-Q592 PolarHBondContact OD1-NE2 3Å; L589-Q592 PolarHBondContact O-N 3.15Å; Q592-N629 PolarHBondContact NE2-O 3.06Å; Q592-N629 VanDerWaalsContact NE2-O 3.08Å
593	I	87	Confident	79.6	Confident	64 Å²	64	56.8 Å²	56.8	33%	0.328	35%	0.351	S	S	.	.	H	α-helix	trans	-87.4	-8.1	179.8	-68.5	-178.6	0	0	0	112	L589 G590 D591 K595 D609	L589-I593 HydrophobicContact CD1-CD1 3.45Å; L589-I593 VanDerWaalsContact CD1-CD1 3.45Å; L589-I593 HydrophobicContact CD1-CG1 3.96Å; L589-I593 HydrophobicContact CG-CD1 3.91Å; L589-I593 WeakPolarHBondContact O-CB 3.5Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3.11Å; G590-I593 PolarHBondContact O-N 3.22Å; D591-I593 VanDerWaalsContact C-N 3.31Å; D591-I593 PolarHBondContact O-N 3.49Å; I593-K595 VanDerWaalsContact C-N 3.28Å; I593-K595 HydrophobicContact CG2-CB 4.33Å; I593-K595 HydrophobicContact CG2-CD 3.69Å; I593-K595 HydrophobicContact CG2-CG 3.91Å; I593-D609 HydrophobicContact CD1-CB 4.02Å
594	G	84.1	Confident	79.6	Confident	60 Å²	60	53.8 Å²	53.8	62%	0.619	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	24.1	-173.6	0	0	0	0	0	113.5	G590 D591 P596	G590-G594 PolarHBondContact O-N 3.16Å; G590-G594 VanDerWaalsContact O-N 3.14Å; D591-G594 PolarHBondContact O-N 2.94Å; D591-G594 VanDerWaalsContact O-N 3.14Å; G594-P596 WeakPolarHBondContact O-CD 3.49Å
595	K	86.5	Confident	79.7	Confident	86 Å²	86	53.4 Å²	53.4	37%	0.374	34%	0.336	S	S	.	.			trans	-122.3	65.5	174.7	-62.7	175	-163.9	176.1	0	109.4	G590 I593 G604 P605 D609	G590-K595 VanDerWaalsContact CA-O 3.3Å; G590-K595 WeakPolarHBondContact CA-O 3.23Å; G590-K595 CarbonylContact O-C 3.2Å; G590-K595 PolarHBondContact O-N 3.44Å; I593-K595 VanDerWaalsContact C-N 3.28Å; I593-K595 HydrophobicContact CG2-CB 4.33Å; I593-K595 HydrophobicContact CG2-CD 3.69Å; I593-K595 HydrophobicContact CG2-CG 3.91Å; K595-G604 CarbonylContact O-C 3.49Å; K595-G604 VanDerWaalsContact O-CA 3.31Å; K595-G604 WeakPolarHBondContact O-CA 3.34Å; K595-P605 HydrophobicContact CD-CB 4.5Å; K595-D609 IonicContact NZ-OD2 3.63Å; K595-D609 PolarHBondContact NZ-OD2 3.1Å
596	P	81.2	Confident	79.5	Confident	66 Å²	66	55.5 Å²	55.5	43%	0.429	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-66.3	158.3	-178.5	29.5	-36.8	0	0	0	112	G594	G594-P596 WeakPolarHBondContact O-CD 3.49Å
597	Y	77.2	Confident	79.4	Confident	13 Å²	13	57 Å²	57	5%	0.051	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-78.5	138.2	169.8	-74.3	-90.7	0	0	0	110.8	Q576 R582 L586 H587 G603 K610	Q576-Y597 VanDerWaalsContact NE2-CE1 3.32Å; R582-Y597 PolarHBondContact NH1-O 3.21Å; R582-Y597 PolarHBondContact NH2-O 3.27Å; L586-Y597 HydrophobicContact CG-CE2 4.04Å; L586-Y597 WeakPolarHBondContact CG-OH 3.44Å; H587-Y597 AromaticContact CD2-CD2 3.95Å; Y597-G603 VanDerWaalsContact CE1-O 3.31Å; Y597-G603 WeakPolarHBondContact CE1-O 3.49Å; Y597-K610 WeakPolarHBondContact OH-CE 3.16Å
598	N	74.1	Confident	79.5	Confident	105 Å²	105	63.1 Å²	63.1	56%	0.561	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-80.7	163.8	177.2	-156.9	0.5	0	0	0	111.1	S600 G601 L602	N598-S600 PolarHBondContact O-N 2.99Å; N598-G601 PolarHBondContact O-N 3.17Å; N598-L602 WeakPolarHBondContact CB-O 3.24Å; N598-L602 PolarHBondContact N-O 3.26Å; N598-L602 VanDerWaalsContact N-O 3.16Å
599	S	62.6	Low	79.7	Confident	110 Å²	110	62.7 Å²	62.7	77%	0.769	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.6	-175.1	-53.1	0	0	0	0	114.8
600	S	61.3	Low	79.7	Confident	84 Å²	84	63.4 Å²	63.4	59%	0.587	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	10.6	174.6	54.5	0	0	0	0	113.9	N598 L602	N598-S600 PolarHBondContact O-N 2.99Å; S600-L602 WeakPolarHBondContact O-CD1 3.34Å; S600-L602 PolarHBondContact O-N 3.07Å; S600-L602 VanDerWaalsContact O-N 3.12Å
601	G	62.1	Low	80.1	Confident	41 Å²	41	66 Å²	66	42%	0.423	40%	0.395	S	S	.	.	S	Bend	trans	79.7	-24.3	-176.7	0	0	0	0	0	114.9	N598	N598-G601 PolarHBondContact O-N 3.17Å
602	L	61.6	Low	80.4	Confident	120 Å²	120	65.5 Å²	65.5	63%	0.628	40%	0.396	S	S	*	.			trans	-63.1	138.9	175.9	-79.3	75.2	0	0	0	111.5	N598 S600	N598-L602 WeakPolarHBondContact CB-O 3.24Å; N598-L602 PolarHBondContact N-O 3.26Å; N598-L602 VanDerWaalsContact N-O 3.16Å; S600-L602 WeakPolarHBondContact O-CD1 3.34Å; S600-L602 PolarHBondContact O-N 3.07Å; S600-L602 VanDerWaalsContact O-N 3.12Å
603	G	68.5	Low	80.8	Confident	58 Å²	58	61.5 Å²	61.5	60%	0.598	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	107.9	-156.4	179.3	0	0	0	0	0	114	Y597	Y597-G603 VanDerWaalsContact CE1-O 3.31Å; Y597-G603 WeakPolarHBondContact CE1-O 3.49Å
604	G	79.9	Confident	81.1	Confident	21 Å²	21	58.4 Å²	58.4	22%	0.216	36%	0.363	C	S	.	.			trans	99.6	-176.6	-178.7	0	0	0	0	0	115.6	K595	K595-G604 CarbonylContact O-C 3.49Å; K595-G604 VanDerWaalsContact O-CA 3.31Å; K595-G604 WeakPolarHBondContact O-CA 3.34Å
605	P	85.8	Confident	81.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.013	34%	0.342	C	S	.	.	S	Bend	trans	-71.5	159.6	-179.1	25.9	-30.5	0	0	0	113.2	L589 K595 D609 K610	L589-P605 HydrophobicContact CD2-CG 4.3Å; L589-P605 HydrophobicContact CG-CG 4.39Å; K595-P605 HydrophobicContact CD-CB 4.5Å; P605-D609 HydrophobicContact CB-CB 4.07Å; P605-K610 HydrophobicContact CG-CG 4.09Å; P605-K610 WeakPolarHBondContact O-CD 3.35Å; P605-K610 WeakPolarHBondContact O-CE 3.44Å; P605-K610 PolarHBondContact O-NZ 3.27Å
606	S	87.2	Confident	82	Confident	48 Å²	48	56.9 Å²	56.9	34%	0.336	34%	0.339	S	S	.	.			trans	-72.4	160.7	-177.6	73.7	0	0	0	0	112.2	K608 D609 K610	S606-K608 PolarHBondContact O-N 2.77Å; S606-D609 WeakPolarHBondContact CB-OD2 3.41Å; S606-D609 PolarHBondContact N-OD2 2.79Å; S606-D609 WeakPolarHBondContact O-CB 3.44Å; S606-D609 PolarHBondContact O-N 3.04Å; S606-D609 PolarHBondContact OG-N 3.47Å; S606-D609 PolarHBondContact OG-OD1 2.67Å; S606-D609 PolarHBondContact OG-OD2 3.05Å; S606-K610 WeakPolarHBondContact O-CB 3.45Å; S606-K610 WeakPolarHBondContact O-CG 3.41Å; S606-K610 PolarHBondContact O-N 2.92Å
607	I	85.1	Confident	82.7	Confident	35 Å²	35	54 Å²	54	18%	0.179	32%	0.32	C	S	.	.	H	α-helix	trans	-56.7	-37.6	176	-68.1	170.1	0	0	0	111.3	F431 E435 K610 Y611	F431-I607 HydrophobicContact CB-CG2 4.26Å; F431-I607 HydrophobicContact CD1-CG2 4.12Å; E435-I607 HydrophobicContact CG-CD1 3.79Å; E435-I607 WeakPolarHBondContact OE1-CD1 3.18Å; I607-K610 PolarHBondContact O-N 3.32Å; I607-Y611 VanDerWaalsContact O-CB 3.29Å; I607-Y611 WeakPolarHBondContact O-CB 3.34Å; I607-Y611 PolarHBondContact O-N 2.91Å
608	K	88.9	Confident	83.5	Confident	160 Å²	160	53.4 Å²	53.4	70%	0.696	32%	0.317	S	S	*	.	H	α-helix	trans	-61.1	-47.5	174.1	-176.4	-176.8	176.5	-174.5	0	111.7	S606 V612	S606-K608 PolarHBondContact O-N 2.77Å; K608-V612 HydrophobicContact CG-CG2 4.46Å; K608-V612 WeakPolarHBondContact O-CB 3.34Å; K608-V612 VanDerWaalsContact O-CG2 3.25Å; K608-V612 WeakPolarHBondContact O-CG2 3.45Å; K608-V612 PolarHBondContact O-N 3.29Å
609	D	90.6	Very high	84.5	Confident	39 Å²	39	51.4 Å²	51.4	21%	0.209	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-48.8	178.6	-52.5	-37.1	0	0	0	110.1	I593 K595 P605 S606 Y611 V612 T613	I593-D609 HydrophobicContact CD1-CB 4.02Å; K595-D609 IonicContact NZ-OD2 3.63Å; K595-D609 PolarHBondContact NZ-OD2 3.1Å; P605-D609 HydrophobicContact CB-CB 4.07Å; S606-D609 WeakPolarHBondContact CB-OD2 3.41Å; S606-D609 PolarHBondContact N-OD2 2.79Å; S606-D609 WeakPolarHBondContact O-CB 3.44Å; S606-D609 PolarHBondContact O-N 3.04Å; S606-D609 PolarHBondContact OG-N 3.47Å; S606-D609 PolarHBondContact OG-OD1 2.67Å; S606-D609 PolarHBondContact OG-OD2 3.05Å; D609-Y611 PolarHBondContact O-N 3.12Å; D609-V612 PolarHBondContact O-N 3.14Å; D609-T613 WeakPolarHBondContact O-CB 3.4Å; D609-T613 PolarHBondContact O-N 3.24Å; D609-T613 PolarHBondContact O-OG1 3.1Å; D609-T613 VanDerWaalsContact O-OG1 3.1Å
610	K	90.4	Very high	86	Confident	24 Å²	24	46.6 Å²	46.6	10%	0.104	27%	0.27	C	S	.	.	H	α-helix	trans	-55.6	-51.2	177.7	-71.9	162.7	168.6	151.5	0	112.2	F431 Y569 L586 Y597 P605 S606 I607 A614	F431-K610 HydrophobicContact CE1-CB 4.38Å; Y569-K610 HydrophobicContact CD2-CB 4.48Å; Y569-K610 HydrophobicContact CE2-CB 4.31Å; Y569-K610 HydrophobicContact CE2-CD 4.06Å; Y569-K610 HydrophobicContact CE2-CG 4.35Å; L586-K610 HydrophobicContact CD1-CD 4.49Å; L586-K610 HydrophobicContact CD1-CG 3.98Å; Y597-K610 WeakPolarHBondContact OH-CE 3.16Å; P605-K610 HydrophobicContact CG-CG 4.09Å; P605-K610 WeakPolarHBondContact O-CD 3.35Å; P605-K610 WeakPolarHBondContact O-CE 3.44Å; P605-K610 PolarHBondContact O-NZ 3.27Å; S606-K610 WeakPolarHBondContact O-CB 3.45Å; S606-K610 WeakPolarHBondContact O-CG 3.41Å; S606-K610 PolarHBondContact O-N 2.92Å; I607-K610 PolarHBondContact O-N 3.32Å; K610-A614 WeakPolarHBondContact O-CB 3.35Å; K610-A614 PolarHBondContact O-N 3.17Å
611	Y	93.5	Very high	87.5	Confident	53 Å²	53	43.3 Å²	43.3	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-46.9	-179.1	173	-106.2	0	0	0	112.4	Y427 F431 H562 I607 D609 T613 A614 L615	Y427-Y611 HydrophobicContact CD2-CD2 4.03Å; Y427-Y611 HydrophobicContact CD2-CE2 4.12Å; Y427-Y611 HydrophobicContact CE2-CD2 4.09Å; Y427-Y611 HydrophobicContact CE2-CG 4.18Å; F431-Y611 HydrophobicContact CE1-CD2 4.49Å; F431-Y611 AromaticContact CE2-CD2 3.8Å; F431-Y611 HydrophobicContact CE2-CD2 3.8Å; F431-Y611 AromaticContact CZ-CD2 3.79Å; F431-Y611 HydrophobicContact CZ-CD2 3.79Å; F431-Y611 HydrophobicContact CZ-CG 4.41Å; H562-Y611 AromaticContact CE1-CE2 3.69Å; H562-Y611 AromaticContact ND1-CE2 3.53Å; H562-Y611 AromaticContact ND1-CZ 3.82Å; H562-Y611 PolarHBondContact ND1-OH 3.06Å; I607-Y611 VanDerWaalsContact O-CB 3.29Å; I607-Y611 WeakPolarHBondContact O-CB 3.34Å; I607-Y611 PolarHBondContact O-N 2.91Å; D609-Y611 PolarHBondContact O-N 3.12Å; Y611-T613 VanDerWaalsContact C-N 3.34Å; Y611-T613 PolarHBondContact O-N 3.05Å; Y611-A614 PolarHBondContact O-N 2.89Å; Y611-L615 HydrophobicContact CE1-CD2 4.14Å; Y611-L615 VanDerWaalsContact O-CB 3.31Å; Y611-L615 WeakPolarHBondContact O-CB 3.41Å; Y611-L615 PolarHBondContact O-N 3.22Å
612	V	94.3	Very high	88.9	Confident	80 Å²	80	41.4 Å²	41.4	49%	0.485	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-41.6	179.7	170.8	0	0	0	0	110.9	K608 D609 L615 Y616	K608-V612 HydrophobicContact CG-CG2 4.46Å; K608-V612 WeakPolarHBondContact O-CB 3.34Å; K608-V612 VanDerWaalsContact O-CG2 3.25Å; K608-V612 WeakPolarHBondContact O-CG2 3.45Å; K608-V612 PolarHBondContact O-N 3.29Å; D609-V612 PolarHBondContact O-N 3.14Å; V612-L615 PolarHBondContact O-N 3.04Å; V612-Y616 VanDerWaalsContact O-CB 3.26Å; V612-Y616 WeakPolarHBondContact O-CB 3.37Å; V612-Y616 PolarHBondContact O-N 3.14Å
613	T	93.9	Very high	90.4	Very high	22 Å²	22	37.7 Å²	37.7	14%	0.135	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-41.2	176.8	-62.6	0	0	0	0	112.5	W585 L589 D609 Y611 L615 Y616 F617 V630	W585-T613 HydrophobicContact CZ3-CG2 3.88Å; L589-T613 HydrophobicContact CD1-CG2 3.74Å; L589-T613 HydrophobicContact CD2-CG2 3.88Å; L589-T613 HydrophobicContact CG-CG2 4.38Å; D609-T613 WeakPolarHBondContact O-CB 3.4Å; D609-T613 PolarHBondContact O-N 3.24Å; D609-T613 PolarHBondContact O-OG1 3.1Å; D609-T613 VanDerWaalsContact O-OG1 3.1Å; Y611-T613 VanDerWaalsContact C-N 3.34Å; Y611-T613 PolarHBondContact O-N 3.05Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.05Å; T613-Y616 PolarHBondContact O-N 3.18Å; T613-F617 PolarHBondContact O-N 3.49Å; T613-V630 HydrophobicContact CG2-CG2 3.4Å; T613-V630 VanDerWaalsContact CG2-CG2 3.4Å
614	A	94.5	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.2	0	0	0	0	0	111.9	A565 W585 K610 Y611 F617 T618	A565-A614 HydrophobicContact CB-CB 4.12Å; W585-A614 HydrophobicContact CH2-CB 3.96Å; W585-A614 HydrophobicContact CZ2-CB 4.42Å; K610-A614 WeakPolarHBondContact O-CB 3.35Å; K610-A614 PolarHBondContact O-N 3.17Å; Y611-A614 PolarHBondContact O-N 2.89Å; A614-F617 PolarHBondContact O-N 3.43Å; A614-T618 PolarHBondContact O-N 2.99Å; A614-T618 VanDerWaalsContact O-N 3.09Å; A614-T618 PolarHBondContact O-OG1 3.19Å
615	L	95.3	Very high	92.1	Very high	34 Å²	34	42.4 Å²	42.4	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-38.8	178.5	-169.1	66.8	0	0	0	112.1	H562 A565 Y611 V612 T613 T618 F619	H562-L615 HydrophobicContact CB-CD1 4.34Å; A565-L615 HydrophobicContact CB-CB 4.19Å; A565-L615 HydrophobicContact CB-CD1 3.98Å; Y611-L615 HydrophobicContact CE1-CD2 4.14Å; Y611-L615 VanDerWaalsContact O-CB 3.31Å; Y611-L615 WeakPolarHBondContact O-CB 3.41Å; Y611-L615 PolarHBondContact O-N 3.22Å; V612-L615 PolarHBondContact O-N 3.04Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.05Å; L615-T618 PolarHBondContact O-OG1 3.35Å; L615-F619 HydrophobicContact CD1-CD2 4.03Å; L615-F619 HydrophobicContact CD1-CE2 3.76Å; L615-F619 HydrophobicContact CD2-CE2 4.31Å; L615-F619 HydrophobicContact CG-CD2 3.86Å; L615-F619 HydrophobicContact CG-CE2 3.83Å; L615-F619 WeakPolarHBondContact O-CB 3.22Å; L615-F619 WeakPolarHBondContact O-CD2 3.47Å; L615-F619 PolarHBondContact O-N 3.08Å
616	Y	95	Very high	92.2	Very high	80 Å²	80	44.7 Å²	44.7	31%	0.314	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-46.4	172.9	166	-103.2	0	0	0	111.9	V612 T613 S620 F627 N629 V630	V612-Y616 VanDerWaalsContact O-CB 3.26Å; V612-Y616 WeakPolarHBondContact O-CB 3.37Å; V612-Y616 PolarHBondContact O-N 3.14Å; T613-Y616 PolarHBondContact O-N 3.18Å; Y616-S620 WeakPolarHBondContact O-CB 3.23Å; Y616-S620 PolarHBondContact O-N 3.06Å; Y616-S620 PolarHBondContact O-OG 3.29Å; Y616-F627 AromaticContact CE2-CD2 3.77Å; Y616-F627 HydrophobicContact CE2-CD2 3.77Å; Y616-F627 AromaticContact CE2-CE2 3.98Å; Y616-F627 HydrophobicContact CE2-CE2 3.98Å; Y616-F627 AromaticContact CZ-CD2 3.68Å; Y616-F627 VanDerWaalsContact OH-CB 3.28Å; Y616-F627 WeakPolarHBondContact OH-CB 3.3Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.46Å; Y616-F627 WeakPolarHBondContact OH-CG 3.22Å; Y616-N629 HydrophobicContact CE1-CB 4.37Å; Y616-N629 PolarHBondContact OH-ND2 2.94Å; Y616-V630 HydrophobicContact CD1-CG2 4.34Å; Y616-V630 HydrophobicContact CE1-CG2 4.46Å
617	F	94.6	Very high	92.2	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.022	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-54	175.9	172	-109.5	0	0	0	111	W568 T613 A614 F619 S620 S621 V630 F640	W568-F617 AromaticContact CD1-CD1 3.89Å; W568-F617 AromaticContact CD2-CD1 3.63Å; W568-F617 HydrophobicContact CD2-CD1 3.63Å; W568-F617 AromaticContact CD2-CE1 3.58Å; W568-F617 HydrophobicContact CD2-CE1 3.58Å; W568-F617 AromaticContact CE2-CD1 3.42Å; W568-F617 VanDerWaalsContact CE2-CD1 3.42Å; W568-F617 AromaticContact CE2-CE1 3.57Å; W568-F617 HydrophobicContact CE3-CD1 4.23Å; W568-F617 AromaticContact CE3-CE1 3.69Å; W568-F617 HydrophobicContact CE3-CE1 3.69Å; W568-F617 AromaticContact CG-CD1 3.91Å; W568-F617 HydrophobicContact CG-CD1 3.91Å; W568-F617 HydrophobicContact CG-CE1 4.26Å; W568-F617 HydrophobicContact CH2-CD1 4.39Å; W568-F617 AromaticContact CH2-CE1 3.74Å; W568-F617 HydrophobicContact CH2-CE1 3.74Å; W568-F617 AromaticContact CH2-CZ 3.87Å; W568-F617 HydrophobicContact CH2-CZ 3.87Å; W568-F617 AromaticContact CZ2-CD1 3.85Å; W568-F617 HydrophobicContact CZ2-CD1 3.85Å; W568-F617 AromaticContact CZ2-CE1 3.67Å; W568-F617 HydrophobicContact CZ2-CE1 3.67Å; W568-F617 HydrophobicContact CZ2-CE2 4.46Å; W568-F617 HydrophobicContact CZ2-CG 4.32Å; W568-F617 HydrophobicContact CZ2-CZ 4Å; W568-F617 AromaticContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CZ 4.14Å; W568-F617 AromaticContact NE1-CD1 3.6Å; T613-F617 PolarHBondContact O-N 3.49Å; A614-F617 PolarHBondContact O-N 3.43Å; F617-F619 PolarHBondContact O-N 2.65Å; F617-S620 PolarHBondContact O-N 2.85Å; F617-S620 VanDerWaalsContact O-N 3.17Å; F617-S620 PolarHBondContact O-OG 3.18Å; F617-S621 PolarHBondContact O-N 3.27Å; F617-S621 PolarHBondContact O-OG 3.44Å; F617-V630 HydrophobicContact CB-CB 4.19Å; F617-V630 HydrophobicContact CB-CG1 4.01Å; F617-V630 HydrophobicContact CD2-CB 4.07Å; F617-V630 HydrophobicContact CD2-CG1 3.97Å; F617-V630 HydrophobicContact CG-CB 4.44Å; F617-V630 HydrophobicContact CG-CG1 4.07Å; F617-F640 HydrophobicContact CE1-CE1 4.48Å
618	T	94.9	Very high	92.1	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.5	-38.2	-175.6	59.6	0	0	0	0	113.1	A561 L564 A565 W568 A614 L615 S621 L622	A561-T618 PolarHBondContact O-OG1 3.27Å; L564-T618 HydrophobicContact CB-CG2 3.94Å; A565-T618 HydrophobicContact CB-CG2 4.34Å; W568-T618 HydrophobicContact CB-CG2 4.41Å; A614-T618 PolarHBondContact O-N 2.99Å; A614-T618 VanDerWaalsContact O-N 3.09Å; A614-T618 PolarHBondContact O-OG1 3.19Å; L615-T618 PolarHBondContact O-OG1 3.35Å; T618-S621 PolarHBondContact O-N 3.39Å; T618-L622 VanDerWaalsContact O-CB 3.25Å; T618-L622 WeakPolarHBondContact O-CB 3.37Å; T618-L622 WeakPolarHBondContact O-CD1 3.42Å; T618-L622 WeakPolarHBondContact O-CG 3.31Å; T618-L622 PolarHBondContact O-N 3.32Å
619	F	93.9	Very high	91.9	Very high	64 Å²	64	45.8 Å²	45.8	28%	0.281	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-48.7	169.7	-89.6	-66.7	0	0	0	111.5	F557 A558 A561 L615 F617 S621 L622 T623	F557-F619 HydrophobicContact CD1-CE1 4.07Å; F557-F619 AromaticContact CE1-CD1 3.88Å; F557-F619 HydrophobicContact CE1-CD1 3.88Å; F557-F619 AromaticContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CZ-CD1 4.12Å; F557-F619 HydrophobicContact CZ-CE1 4.24Å; A558-F619 HydrophobicContact CB-CZ 4.3Å; A561-F619 HydrophobicContact CB-CD1 3.91Å; A561-F619 HydrophobicContact CB-CD2 4.09Å; A561-F619 HydrophobicContact CB-CE1 3.67Å; A561-F619 HydrophobicContact CB-CE2 3.86Å; A561-F619 HydrophobicContact CB-CG 4.11Å; A561-F619 HydrophobicContact CB-CZ 3.64Å; L615-F619 HydrophobicContact CD1-CD2 4.03Å; L615-F619 HydrophobicContact CD1-CE2 3.76Å; L615-F619 HydrophobicContact CD2-CE2 4.31Å; L615-F619 HydrophobicContact CG-CD2 3.86Å; L615-F619 HydrophobicContact CG-CE2 3.83Å; L615-F619 WeakPolarHBondContact O-CB 3.22Å; L615-F619 WeakPolarHBondContact O-CD2 3.47Å; L615-F619 PolarHBondContact O-N 3.08Å; F617-F619 PolarHBondContact O-N 2.65Å; F619-S621 VanDerWaalsContact C-N 3.25Å; F619-S621 PolarHBondContact O-N 3.42Å; F619-L622 PolarHBondContact O-N 3.37Å; F619-T623 WeakPolarHBondContact O-CG2 3.43Å; F619-T623 PolarHBondContact O-N 3.16Å; F619-T623 PolarHBondContact O-OG1 3.12Å; F619-T623 VanDerWaalsContact O-OG1 3.05Å
620	S	94	Very high	91.8	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-32.2	-177.2	77.2	0	0	0	0	113.3	Y616 F617 S624 V625 G626	Y616-S620 WeakPolarHBondContact O-CB 3.23Å; Y616-S620 PolarHBondContact O-N 3.06Å; Y616-S620 PolarHBondContact O-OG 3.29Å; F617-S620 PolarHBondContact O-N 2.85Å; F617-S620 VanDerWaalsContact O-N 3.17Å; F617-S620 PolarHBondContact O-OG 3.18Å; S620-S624 PolarHBondContact O-N 3.49Å; S620-V625 PolarHBondContact O-N 3.41Å; S620-G626 PolarHBondContact O-N 3.34Å
621	S	93.5	Very high	91.7	Very high	14 Å²	14	45.5 Å²	45.5	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-78	-41.8	175.2	-64.4	0	0	0	0	112.1	F617 T618 F619 T623 S624	F617-S621 PolarHBondContact O-N 3.27Å; F617-S621 PolarHBondContact O-OG 3.44Å; T618-S621 PolarHBondContact O-N 3.39Å; F619-S621 VanDerWaalsContact C-N 3.25Å; F619-S621 PolarHBondContact O-N 3.42Å; S621-T623 VanDerWaalsContact C-N 3.35Å; S621-T623 PolarHBondContact O-N 2.71Å; S621-S624 PolarHBondContact O-N 2.86Å; S621-S624 VanDerWaalsContact O-N 3.12Å
622	L	92.2	Very high	91.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-31.5	176.6	-74.6	170.4	0	0	0	113.1	F557 A561 L564 T618 F619 S624 V644	F557-L622 HydrophobicContact CE2-CB 4.06Å; F557-L622 HydrophobicContact CE2-CD1 4.5Å; F557-L622 HydrophobicContact CZ-CB 4.34Å; A561-L622 HydrophobicContact CB-CD1 3.57Å; L564-L622 HydrophobicContact CD1-CD1 4.13Å; L564-L622 HydrophobicContact CD1-CD2 4Å; L564-L622 HydrophobicContact CD1-CG 4.39Å; T618-L622 VanDerWaalsContact O-CB 3.25Å; T618-L622 WeakPolarHBondContact O-CB 3.37Å; T618-L622 WeakPolarHBondContact O-CD1 3.42Å; T618-L622 WeakPolarHBondContact O-CG 3.31Å; T618-L622 PolarHBondContact O-N 3.32Å; F619-L622 PolarHBondContact O-N 3.37Å; L622-S624 VanDerWaalsContact C-N 3.29Å; L622-V644 HydrophobicContact CD2-CG1 4.11Å; L622-V644 HydrophobicContact CG-CG1 4.09Å
623	T	92	Very high	91.3	Very high	42 Å²	42	43.6 Å²	43.6	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	6.9	172.9	63.1	0	0	0	0	113.3	F557 F619 S621 V625	F557-T623 HydrophobicContact CE1-CG2 4.44Å; F557-T623 HydrophobicContact CZ-CG2 3.83Å; F619-T623 WeakPolarHBondContact O-CG2 3.43Å; F619-T623 PolarHBondContact O-N 3.16Å; F619-T623 PolarHBondContact O-OG1 3.12Å; F619-T623 VanDerWaalsContact O-OG1 3.05Å; S621-T623 VanDerWaalsContact C-N 3.35Å; S621-T623 PolarHBondContact O-N 2.71Å; T623-V625 PolarHBondContact O-N 2.8Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.37Å
624	S	90.1	Very high	91.1	Very high	100 Å²	100	42.8 Å²	42.8	70%	0.699	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	26.5	-177.9	61.9	0	0	0	0	115.8	S620 S621 L622	S620-S624 PolarHBondContact O-N 3.49Å; S621-S624 PolarHBondContact O-N 2.86Å; S621-S624 VanDerWaalsContact O-N 3.12Å; L622-S624 VanDerWaalsContact C-N 3.29Å
625	V	93.6	Very high	91	Very high	77 Å²	77	48.8 Å²	48.8	47%	0.467	29%	0.29	S	S	.	.			trans	-89.7	-39.4	-179.4	177.2	0	0	0	0	112	S620 T623 F627	S620-V625 PolarHBondContact O-N 3.41Å; T623-V625 PolarHBondContact O-N 2.8Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.37Å; V625-F627 HydrophobicContact CB-CE2 4.44Å; V625-F627 HydrophobicContact CG1-CD1 3.94Å; V625-F627 HydrophobicContact CG1-CD2 3.98Å; V625-F627 HydrophobicContact CG1-CE1 3.6Å; V625-F627 HydrophobicContact CG1-CE2 3.64Å; V625-F627 HydrophobicContact CG1-CG 4.12Å; V625-F627 HydrophobicContact CG1-CZ 3.45Å; V625-F627 VanDerWaalsContact CG1-CZ 3.45Å; V625-F627 PolarHBondContact O-N 3.41Å
626	G	87.8	Confident	90.7	Very high	50 Å²	50	49 Å²	49	52%	0.515	29%	0.294	S	S	.	.			trans	54	51.1	167.3	0	0	0	0	0	116.3	S620 G628	S620-G626 PolarHBondContact O-N 3.34Å; G626-G628 PolarHBondContact O-N 3.29Å
627	F	87.8	Confident	90.6	Very high	123 Å²	123	45.2 Å²	45.2	54%	0.539	28%	0.279	S	S	.	.			trans	-55.1	-15.8	-173.2	-67.1	-72.8	0	0	0	117	Y616 V625 N629	Y616-F627 AromaticContact CE2-CD2 3.77Å; Y616-F627 HydrophobicContact CE2-CD2 3.77Å; Y616-F627 AromaticContact CE2-CE2 3.98Å; Y616-F627 HydrophobicContact CE2-CE2 3.98Å; Y616-F627 AromaticContact CZ-CD2 3.68Å; Y616-F627 VanDerWaalsContact OH-CB 3.28Å; Y616-F627 WeakPolarHBondContact OH-CB 3.3Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.46Å; Y616-F627 WeakPolarHBondContact OH-CG 3.22Å; V625-F627 HydrophobicContact CB-CE2 4.44Å; V625-F627 HydrophobicContact CG1-CD1 3.94Å; V625-F627 HydrophobicContact CG1-CD2 3.98Å; V625-F627 HydrophobicContact CG1-CE1 3.6Å; V625-F627 HydrophobicContact CG1-CE2 3.64Å; V625-F627 HydrophobicContact CG1-CG 4.12Å; V625-F627 HydrophobicContact CG1-CZ 3.45Å; V625-F627 VanDerWaalsContact CG1-CZ 3.45Å; V625-F627 PolarHBondContact O-N 3.41Å; F627-N629 VanDerWaalsContact C-N 3.27Å; F627-N629 PolarHBondContact O-N 3.01Å; F627-N629 VanDerWaalsContact O-N 3.17Å
628	G	83.6	Confident	90.6	Very high	50 Å²	50	49.6 Å²	49.6	52%	0.515	30%	0.298	S	S	.	.	S	Bend	trans	81.6	-20.1	175.4	0	0	0	0	0	116.6	G626 V630	G626-G628 PolarHBondContact O-N 3.29Å; G628-V630 PolarHBondContact O-N 2.92Å; G628-V630 VanDerWaalsContact O-N 3.13Å
629	N	85.1	Confident	90.6	Very high	94 Å²	94	54.8 Å²	54.8	50%	0.503	33%	0.325	S	S	.	.	S	Bend	trans	-53.7	-34	177.8	-63	-13.7	0	0	0	113.5	Q592 Y616 F627	Q592-N629 PolarHBondContact NE2-O 3.06Å; Q592-N629 VanDerWaalsContact NE2-O 3.08Å; Y616-N629 HydrophobicContact CE1-CB 4.37Å; Y616-N629 PolarHBondContact OH-ND2 2.94Å; F627-N629 VanDerWaalsContact C-N 3.27Å; F627-N629 PolarHBondContact O-N 3.01Å; F627-N629 VanDerWaalsContact O-N 3.17Å
630	V	88.8	Confident	90.7	Very high	17 Å²	17	52.8 Å²	52.8	10%	0.103	32%	0.316	C	S	.	.	S	Bend	trans	-120.2	122.9	169.7	-174.5	0	0	0	0	106.6	W568 W585 T613 Y616 F617 G628	W568-V630 HydrophobicContact CZ2-CG1 4.23Å; W585-V630 HydrophobicContact CE3-CG1 4Å; T613-V630 HydrophobicContact CG2-CG2 3.4Å; T613-V630 VanDerWaalsContact CG2-CG2 3.4Å; Y616-V630 HydrophobicContact CD1-CG2 4.34Å; Y616-V630 HydrophobicContact CE1-CG2 4.46Å; F617-V630 HydrophobicContact CB-CB 4.19Å; F617-V630 HydrophobicContact CB-CG1 4.01Å; F617-V630 HydrophobicContact CD2-CB 4.07Å; F617-V630 HydrophobicContact CD2-CG1 3.97Å; F617-V630 HydrophobicContact CG-CB 4.44Å; F617-V630 HydrophobicContact CG-CG1 4.07Å; G628-V630 PolarHBondContact O-N 2.92Å; G628-V630 VanDerWaalsContact O-N 3.13Å
631	S	87.6	Confident	90.6	Very high	39 Å²	39	53 Å²	53	27%	0.273	32%	0.317	S	S	.	.			trans	-133.5	148.4	-174.8	56.9	0	0	0	0	111.6	N633	S631-N633 PolarHBondContact O-N 3.31Å
632	P	90.9	Very high	90.7	Very high	31 Å²	31	57.7 Å²	57.7	20%	0.201	34%	0.34	C	S	.	.			trans	-77.9	115.8	173.6	32.1	-35	0	0	0	111.2	W568 E637 K638	W568-P632 HydrophobicContact CH2-CB 4.05Å; P632-E637 VanDerWaalsContact CB-C 3.46Å; P632-E637 HydrophobicContact CB-CB 3.68Å; P632-E637 WeakPolarHBondContact CB-O 3.32Å; P632-K638 HydrophobicContact CB-CG 3.95Å; P632-K638 HydrophobicContact CG-CG 4.25Å; P632-K638 VanDerWaalsContact O-CE 3.23Å; P632-K638 WeakPolarHBondContact O-CE 3.35Å
633	N	88.8	Confident	90.8	Very high	63 Å²	63	60.7 Å²	60.7	34%	0.337	36%	0.36	S	S	.	.			trans	-100.2	-44.1	179.9	-70.4	-21.1	0	0	0	112	I583 S631 E637 K638	I583-N633 VanDerWaalsContact O-CB 3.24Å; I583-N633 WeakPolarHBondContact O-CB 3.3Å; I583-N633 PolarHBondContact O-ND2 2.91Å; S631-N633 PolarHBondContact O-N 3.31Å; N633-E637 WeakPolarHBondContact CA-OE2 3.26Å; N633-E637 PolarHBondContact N-OE2 2.78Å; N633-K638 VanDerWaalsContact O-CE 3.28Å; N633-K638 WeakPolarHBondContact O-CE 3.26Å; N633-K638 PolarHBondContact O-NZ 3.5Å
634	T	90	Very high	91	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.031	35%	0.348	C	S	.	.	S	Bend	trans	-78.9	166.4	-180	80.8	0	0	0	0	111.7	E575 M579 I583 S636 E637 K638	E575-T634 WeakPolarHBondContact OE2-CB 3.49Å; E575-T634 WeakPolarHBondContact OE2-CG2 3.28Å; E575-T634 PolarHBondContact OE2-OG1 2.67Å; M579-T634 HydrophobicContact SD-CG2 4.49Å; I583-T634 HydrophobicContact CG1-CG2 4.42Å; T634-S636 PolarHBondContact OG1-OG 3.19Å; T634-E637 HydrophobicContact CG2-CG 4.49Å; T634-E637 PolarHBondContact N-OE2 3.32Å; T634-E637 WeakPolarHBondContact OG1-CB 3.4Å; T634-E637 WeakPolarHBondContact OG1-CG 3.35Å; T634-E637 PolarHBondContact OG1-N 2.98Å; T634-K638 WeakPolarHBondContact O-CB 3.44Å; T634-K638 WeakPolarHBondContact O-CD 3.44Å; T634-K638 VanDerWaalsContact O-CG 3.23Å; T634-K638 WeakPolarHBondContact O-CG 3.39Å; T634-K638 PolarHBondContact O-N 2.89Å
635	N	90.8	Very high	91.2	Very high	126 Å²	126	59.4 Å²	59.4	67%	0.674	34%	0.342	S	S	*	.	H	α-helix	trans	-70.7	-34.6	-178.2	-69.7	-22.2	0	0	0	112	K638 I639	N635-K638 PolarHBondContact O-N 3.27Å; N635-I639 WeakPolarHBondContact O-CD1 3.39Å; N635-I639 VanDerWaalsContact O-CG1 3.25Å; N635-I639 WeakPolarHBondContact O-CG1 3.25Å; N635-I639 PolarHBondContact O-N 3.43Å
636	S	90.5	Very high	91.2	Very high	38 Å²	38	60.8 Å²	60.8	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-69.3	-44.3	175.4	69	0	0	0	0	111.1	I571 E575 T634 K638 I639 F640	I571-S636 WeakPolarHBondContact CG2-OG 3.25Å; E575-S636 VanDerWaalsContact OE1-CB 3.32Å; E575-S636 WeakPolarHBondContact OE1-CB 3.33Å; E575-S636 PolarHBondContact OE1-OG 2.83Å; E575-S636 PolarHBondContact OE2-OG 3.49Å; T634-S636 PolarHBondContact OG1-OG 3.19Å; S636-K638 VanDerWaalsContact C-N 3.29Å; S636-K638 PolarHBondContact O-N 3.35Å; S636-I639 PolarHBondContact O-N 2.98Å; S636-F640 WeakPolarHBondContact O-CB 3.31Å; S636-F640 PolarHBondContact O-N 3.5Å
637	E	92.3	Very high	91.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-43.3	173.8	-73.4	171.8	176.7	0	0	111.2	W568 I571 G584 W585 P632 N633 T634 S641	W568-E637 HydrophobicContact CH2-CB 3.79Å; W568-E637 HydrophobicContact CH2-CG 3.79Å; W568-E637 HydrophobicContact CZ3-CB 3.72Å; W568-E637 HydrophobicContact CZ3-CG 3.81Å; I571-E637 HydrophobicContact CG2-CG 4.43Å; G584-E637 WeakPolarHBondContact CA-OE1 3.32Å; W585-E637 VanDerWaalsContact CD1-OE1 3.25Å; W585-E637 PolarHBondContact N-OE1 3.05Å; P632-E637 VanDerWaalsContact CB-C 3.46Å; P632-E637 HydrophobicContact CB-CB 3.68Å; P632-E637 WeakPolarHBondContact CB-O 3.32Å; N633-E637 WeakPolarHBondContact CA-OE2 3.26Å; N633-E637 PolarHBondContact N-OE2 2.78Å; T634-E637 HydrophobicContact CG2-CG 4.49Å; T634-E637 PolarHBondContact N-OE2 3.32Å; T634-E637 WeakPolarHBondContact OG1-CB 3.4Å; T634-E637 WeakPolarHBondContact OG1-CG 3.35Å; T634-E637 PolarHBondContact OG1-N 2.98Å; E637-S641 WeakPolarHBondContact O-CB 3.41Å; E637-S641 PolarHBondContact O-N 3.13Å
638	K	93.8	Very high	91.7	Very high	96 Å²	96	55.8 Å²	55.8	42%	0.417	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-45.4	178	-75.6	164.9	178.4	154.9	0	112.5	P632 N633 T634 N635 S636 F640 S641 I642	P632-K638 HydrophobicContact CB-CG 3.95Å; P632-K638 HydrophobicContact CG-CG 4.25Å; P632-K638 VanDerWaalsContact O-CE 3.23Å; P632-K638 WeakPolarHBondContact O-CE 3.35Å; N633-K638 VanDerWaalsContact O-CE 3.28Å; N633-K638 WeakPolarHBondContact O-CE 3.26Å; N633-K638 PolarHBondContact O-NZ 3.5Å; T634-K638 WeakPolarHBondContact O-CB 3.44Å; T634-K638 WeakPolarHBondContact O-CD 3.44Å; T634-K638 VanDerWaalsContact O-CG 3.23Å; T634-K638 WeakPolarHBondContact O-CG 3.39Å; T634-K638 PolarHBondContact O-N 2.89Å; N635-K638 PolarHBondContact O-N 3.27Å; S636-K638 VanDerWaalsContact C-N 3.29Å; S636-K638 PolarHBondContact O-N 3.35Å; K638-F640 VanDerWaalsContact C-N 3.34Å; K638-S641 PolarHBondContact O-N 2.86Å; K638-I642 WeakPolarHBondContact O-CG1 3.27Å; K638-I642 PolarHBondContact O-N 3.41Å
639	I	95.3	Very high	92.1	Very high	110 Å²	110	56.9 Å²	56.9	56%	0.564	31%	0.313	S	S	*	.	H	α-helix	trans	-60.7	-45.8	175.7	-70.3	163.6	0	0	0	110.2	N635 S636 S641 I642 C643	N635-I639 WeakPolarHBondContact O-CD1 3.39Å; N635-I639 VanDerWaalsContact O-CG1 3.25Å; N635-I639 WeakPolarHBondContact O-CG1 3.25Å; N635-I639 PolarHBondContact O-N 3.43Å; S636-I639 PolarHBondContact O-N 2.98Å; I639-S641 PolarHBondContact O-N 2.86Å; I639-I642 PolarHBondContact O-N 3.11Å; I639-C643 PolarHBondContact O-N 3.32Å; I639-C643 PolarHBondContact O-SG 2.85Å; I639-C643 VanDerWaalsContact O-SG 3.41Å
640	F	95.4	Very high	92.3	Very high	22 Å²	22	57.9 Å²	57.9	10%	0.096	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-45.1	175.2	177.7	-96.6	0	0	0	111.8	L564 I567 W568 I571 F617 S636 K638 I642 C643 V644	L564-F640 HydrophobicContact CB-CZ 4.09Å; L564-F640 HydrophobicContact CD2-CE2 3.89Å; L564-F640 HydrophobicContact CD2-CZ 3.89Å; L564-F640 WeakPolarHBondContact O-CZ 3.48Å; I567-F640 HydrophobicContact CB-CE2 4.04Å; I567-F640 HydrophobicContact CB-CZ 4.38Å; I567-F640 HydrophobicContact CG2-CD2 4.05Å; I567-F640 HydrophobicContact CG2-CE2 3.5Å; I567-F640 VanDerWaalsContact CG2-CE2 3.5Å; I567-F640 HydrophobicContact CG2-CZ 4.25Å; W568-F640 HydrophobicContact CB-CE1 3.87Å; W568-F640 HydrophobicContact CB-CZ 4.19Å; W568-F640 HydrophobicContact CD2-CD1 4.39Å; W568-F640 HydrophobicContact CD2-CE1 4.24Å; W568-F640 AromaticContact CE3-CD1 3.37Å; W568-F640 HydrophobicContact CE3-CD1 3.37Å; W568-F640 AromaticContact CE3-CE1 3.64Å; W568-F640 HydrophobicContact CE3-CE1 3.64Å; W568-F640 HydrophobicContact CE3-CG 4.34Å; W568-F640 HydrophobicContact CG-CE1 4.39Å; W568-F640 AromaticContact CZ3-CD1 3.88Å; W568-F640 HydrophobicContact CZ3-CD1 3.88Å; W568-F640 HydrophobicContact CZ3-CE1 4.5Å; I571-F640 HydrophobicContact CD1-CB 3.89Å; I571-F640 HydrophobicContact CD1-CD1 4.45Å; I571-F640 HydrophobicContact CD1-CD2 3.71Å; I571-F640 HydrophobicContact CD1-CE2 4.37Å; I571-F640 HydrophobicContact CD1-CG 3.75Å; F617-F640 HydrophobicContact CE1-CE1 4.48Å; S636-F640 WeakPolarHBondContact O-CB 3.31Å; S636-F640 PolarHBondContact O-N 3.5Å; K638-F640 VanDerWaalsContact C-N 3.34Å; F640-I642 VanDerWaalsContact C-N 3.32Å; F640-I642 PolarHBondContact O-N 3.45Å; F640-C643 WeakPolarHBondContact O-CB 3.44Å; F640-C643 PolarHBondContact O-N 3.2Å; F640-C643 VanDerWaalsContact O-N 3.13Å; F640-V644 HydrophobicContact CD1-CG2 3.87Å; F640-V644 HydrophobicContact CD2-CG2 4.49Å; F640-V644 HydrophobicContact CE1-CG2 3.43Å; F640-V644 VanDerWaalsContact CE1-CG2 3.43Å; F640-V644 HydrophobicContact CE2-CG2 4.09Å; F640-V644 HydrophobicContact CG-CG2 4.4Å; F640-V644 HydrophobicContact CZ-CG2 3.55Å; F640-V644 WeakPolarHBondContact O-CG2 3.18Å; F640-V644 PolarHBondContact O-N 3.42Å
641	S	93.8	Very high	92.3	Very high	13 Å²	13	58.5 Å²	58.5	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-39.2	177	-166.8	0	0	0	0	112.6	E637 K638 I639 V644 M645	E637-S641 WeakPolarHBondContact O-CB 3.41Å; E637-S641 PolarHBondContact O-N 3.13Å; K638-S641 PolarHBondContact O-N 2.86Å; I639-S641 PolarHBondContact O-N 2.86Å; S641-V644 PolarHBondContact O-N 2.94Å; S641-M645 VanDerWaalsContact O-CG 3.26Å; S641-M645 WeakPolarHBondContact O-CG 3.34Å; S641-M645 PolarHBondContact O-N 3.13Å
642	I	94.7	Very high	92.4	Very high	112 Å²	112	61 Å²	61	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-44.2	174.3	-68	163.4	0	0	0	110.6	K638 I639 F640 M645 L646	K638-I642 WeakPolarHBondContact O-CG1 3.27Å; K638-I642 PolarHBondContact O-N 3.41Å; I639-I642 PolarHBondContact O-N 3.11Å; F640-I642 VanDerWaalsContact C-N 3.32Å; F640-I642 PolarHBondContact O-N 3.45Å; I642-M645 PolarHBondContact O-N 3.15Å; I642-L646 PolarHBondContact O-N 3.44Å
643	C	95.1	Very high	92.4	Very high	65 Å²	65	62.7 Å²	62.7	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-42.7	174.6	-65.3	0	0	0	0	112.4	I639 F640 L646 I647	I639-C643 PolarHBondContact O-N 3.32Å; I639-C643 PolarHBondContact O-SG 2.85Å; I639-C643 VanDerWaalsContact O-SG 3.41Å; F640-C643 WeakPolarHBondContact O-CB 3.44Å; F640-C643 PolarHBondContact O-N 3.2Å; F640-C643 VanDerWaalsContact O-N 3.13Å; C643-L646 PolarHBondContact O-N 3.31Å; C643-I647 WeakPolarHBondContact O-CB 3.41Å; C643-I647 VanDerWaalsContact O-CG1 3.29Å; C643-I647 WeakPolarHBondContact O-CG1 3.22Å; C643-I647 PolarHBondContact O-N 3.32Å
644	V	94.5	Very high	92.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-41.3	177	172.8	0	0	0	0	111.6	L564 L622 F640 S641 G648	L564-V644 HydrophobicContact CD1-CG2 4.2Å; L564-V644 HydrophobicContact CD2-CG2 4.11Å; L622-V644 HydrophobicContact CD2-CG1 4.11Å; L622-V644 HydrophobicContact CG-CG1 4.09Å; F640-V644 HydrophobicContact CD1-CG2 3.87Å; F640-V644 HydrophobicContact CD2-CG2 4.49Å; F640-V644 HydrophobicContact CE1-CG2 3.43Å; F640-V644 VanDerWaalsContact CE1-CG2 3.43Å; F640-V644 HydrophobicContact CE2-CG2 4.09Å; F640-V644 HydrophobicContact CG-CG2 4.4Å; F640-V644 HydrophobicContact CZ-CG2 3.55Å; F640-V644 WeakPolarHBondContact O-CG2 3.18Å; F640-V644 PolarHBondContact O-N 3.42Å; S641-V644 PolarHBondContact O-N 2.94Å; V644-G648 WeakPolarHBondContact O-CA 3.36Å; V644-G648 PolarHBondContact O-N 3.2Å
645	M	94.1	Very high	92.3	Very high	115 Å²	115	62.8 Å²	62.8	57%	0.567	35%	0.345	S	S	*	.	H	α-helix	trans	-64.8	-42	176.8	-71.2	168.8	69.1	0	0	111.9	S641 I642 G648 S649	S641-M645 VanDerWaalsContact O-CG 3.26Å; S641-M645 WeakPolarHBondContact O-CG 3.34Å; S641-M645 PolarHBondContact O-N 3.13Å; I642-M645 PolarHBondContact O-N 3.15Å; M645-G648 PolarHBondContact O-N 3.04Å; M645-S649 PolarHBondContact O-N 2.89Å; M645-S649 PolarHBondContact O-OG 3.23Å
646	L	94.4	Very high	92.2	Very high	107 Å²	107	61.7 Å²	61.7	56%	0.56	34%	0.335	S	S	*	.	H	α-helix	trans	-63.9	-50.9	177	-169.5	155.8	0	0	0	111	I642 C643 G648 S649 L650	I642-L646 PolarHBondContact O-N 3.44Å; C643-L646 PolarHBondContact O-N 3.31Å; L646-G648 VanDerWaalsContact C-N 3.32Å; L646-G648 PolarHBondContact O-N 3.45Å; L646-S649 PolarHBondContact O-N 3.49Å; L646-S649 PolarHBondContact O-OG 3.47Å; L646-L650 HydrophobicContact CD2-CD1 3.88Å; L646-L650 PolarHBondContact O-N 2.79Å
647	I	93.1	Very high	92.2	Very high	66 Å²	66	61.9 Å²	61.9	34%	0.338	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-44.3	175.9	-67.7	166.4	0	0	0	110.7	C643 S649 L650 M651	C643-I647 WeakPolarHBondContact O-CB 3.41Å; C643-I647 VanDerWaalsContact O-CG1 3.29Å; C643-I647 WeakPolarHBondContact O-CG1 3.22Å; C643-I647 PolarHBondContact O-N 3.32Å; I647-S649 PolarHBondContact O-N 3.38Å; I647-L650 PolarHBondContact O-N 2.88Å; I647-M651 HydrophobicContact CG2-CG 4.17Å; I647-M651 HydrophobicContact CG2-SD 3.84Å; I647-M651 WeakPolarHBondContact O-CB 3.21Å; I647-M651 WeakPolarHBondContact O-CG 3.49Å; I647-M651 PolarHBondContact O-N 3.3Å
648	G	92.4	Very high	92	Very high	2 Å²	2	65 Å²	65	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-49.6	178.7	0	0	0	0	0	112.8	V644 M645 L646 L650 M651 Y652	V644-G648 WeakPolarHBondContact O-CA 3.36Å; V644-G648 PolarHBondContact O-N 3.2Å; M645-G648 PolarHBondContact O-N 3.04Å; L646-G648 VanDerWaalsContact C-N 3.32Å; L646-G648 PolarHBondContact O-N 3.45Å; G648-L650 PolarHBondContact O-N 3.06Å; G648-M651 PolarHBondContact O-N 3.07Å; G648-Y652 WeakPolarHBondContact O-CB 3.31Å; G648-Y652 PolarHBondContact O-N 2.81Å
649	S	91.9	Very high	91.7	Very high	73 Å²	73	61.9 Å²	61.9	51%	0.51	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-44.3	178.5	65.6	0	0	0	0	113.3	M645 L646 I647 A653	M645-S649 PolarHBondContact O-N 2.89Å; M645-S649 PolarHBondContact O-OG 3.23Å; L646-S649 PolarHBondContact O-N 3.49Å; L646-S649 PolarHBondContact O-OG 3.47Å; I647-S649 PolarHBondContact O-N 3.38Å; S649-A653 WeakPolarHBondContact O-CB 3.38Å; S649-A653 PolarHBondContact O-N 3.42Å; S649-A653 VanDerWaalsContact O-N 3.08Å
650	L	90.7	Very high	91.4	Very high	115 Å²	115	59.3 Å²	59.3	60%	0.602	34%	0.34	S	S	*	.	H	α-helix	trans	-65.6	-43.4	176.7	-68.5	172.5	0	0	0	111.8	L646 I647 G648 S654	L646-L650 HydrophobicContact CD2-CD1 3.88Å; L646-L650 PolarHBondContact O-N 2.79Å; I647-L650 PolarHBondContact O-N 2.88Å; G648-L650 PolarHBondContact O-N 3.06Å; L650-S654 WeakPolarHBondContact O-CB 3.33Å; L650-S654 PolarHBondContact O-N 2.87Å
651	M	89.2	Confident	91	Very high	30 Å²	30	60.7 Å²	60.7	15%	0.148	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-46.1	177.5	-75.2	-169.3	73.9	0	0	112.1	F557 I560 I647 G648 A653 S654 I655	F557-M651 HydrophobicContact CB-CE 4.48Å; F557-M651 HydrophobicContact CD2-CE 4.07Å; I560-M651 HydrophobicContact CB-CE 4.03Å; I560-M651 HydrophobicContact CB-SD 4.14Å; I560-M651 HydrophobicContact CD1-CE 3.45Å; I560-M651 VanDerWaalsContact CD1-CE 3.45Å; I560-M651 HydrophobicContact CD1-SD 3.85Å; I560-M651 HydrophobicContact CG1-CE 4.3Å; I560-M651 HydrophobicContact CG2-CE 4.22Å; I560-M651 HydrophobicContact CG2-SD 3.65Å; I647-M651 HydrophobicContact CG2-CG 4.17Å; I647-M651 HydrophobicContact CG2-SD 3.84Å; I647-M651 WeakPolarHBondContact O-CB 3.21Å; I647-M651 WeakPolarHBondContact O-CG 3.49Å; I647-M651 PolarHBondContact O-N 3.3Å; G648-M651 PolarHBondContact O-N 3.07Å; M651-A653 PolarHBondContact O-N 3.4Å; M651-S654 WeakPolarHBondContact O-CB 3.48Å; M651-S654 PolarHBondContact O-N 3.46Å; M651-I655 HydrophobicContact CB-CD1 4.44Å; M651-I655 WeakPolarHBondContact O-CB 3.44Å; M651-I655 WeakPolarHBondContact O-CD1 3.24Å; M651-I655 WeakPolarHBondContact O-CG1 3.43Å; M651-I655 PolarHBondContact O-N 2.76Å
652	Y	89.3	Confident	90.7	Very high	92 Å²	92	61.7 Å²	61.7	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-47.9	179.4	-169.8	-85.8	0	0	0	110.8	G648 S654 I655 F656	G648-Y652 WeakPolarHBondContact O-CB 3.31Å; G648-Y652 PolarHBondContact O-N 2.81Å; Y652-S654 PolarHBondContact O-N 3.4Å; Y652-I655 PolarHBondContact O-N 3.29Å; Y652-F656 AromaticContact CD1-CD2 3.84Å; Y652-F656 HydrophobicContact CD1-CD2 3.84Å; Y652-F656 HydrophobicContact CD1-CE2 4.22Å; Y652-F656 HydrophobicContact CD2-CD2 4.2Å; Y652-F656 AromaticContact CD2-CE2 3.92Å; Y652-F656 HydrophobicContact CD2-CE2 3.92Å; Y652-F656 AromaticContact CE1-CD2 3.63Å; Y652-F656 HydrophobicContact CE1-CD2 3.63Å; Y652-F656 AromaticContact CE1-CE2 3.73Å; Y652-F656 HydrophobicContact CE1-CE2 3.73Å; Y652-F656 HydrophobicContact CE1-CG 4.27Å; Y652-F656 HydrophobicContact CE1-CZ 4.42Å; Y652-F656 HydrophobicContact CE2-CD2 4.02Å; Y652-F656 AromaticContact CE2-CE2 3.4Å; Y652-F656 HydrophobicContact CE2-CE2 3.4Å; Y652-F656 VanDerWaalsContact CE2-CE2 3.4Å; Y652-F656 HydrophobicContact CE2-CZ 4.17Å; Y652-F656 HydrophobicContact CG-CD2 4.12Å; Y652-F656 HydrophobicContact CG-CE2 4.3Å; Y652-F656 AromaticContact CZ-CD2 3.73Å; Y652-F656 AromaticContact CZ-CE2 3.29Å; Y652-F656 AromaticContact CZ-CZ 3.82Å; Y652-F656 WeakPolarHBondContact O-CD2 3.48Å; Y652-F656 PolarHBondContact O-N 3.09Å
653	A	91.4	Very high	90.3	Very high	66 Å²	66	60.5 Å²	60.5	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-58.4	-44.4	174.4	0	0	0	0	0	112.4	S649 M651 G657	S649-A653 WeakPolarHBondContact O-CB 3.38Å; S649-A653 PolarHBondContact O-N 3.42Å; S649-A653 VanDerWaalsContact O-N 3.08Å; M651-A653 PolarHBondContact O-N 3.4Å; A653-G657 PolarHBondContact O-N 2.95Å
654	S	87.6	Confident	89.9	Confident	60 Å²	60	64.3 Å²	64.3	42%	0.42	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-42.7	176.9	-175.7	0	0	0	0	112.7	L650 M651 Y652 N658	L650-S654 WeakPolarHBondContact O-CB 3.33Å; L650-S654 PolarHBondContact O-N 2.87Å; M651-S654 WeakPolarHBondContact O-CB 3.48Å; M651-S654 PolarHBondContact O-N 3.46Å; Y652-S654 PolarHBondContact O-N 3.4Å; S654-N658 WeakPolarHBondContact O-CB 3.49Å; S654-N658 PolarHBondContact O-N 3.33Å; S654-N658 PolarHBondContact O-ND2 3.38Å; S654-N658 PolarHBondContact OG-ND2 3.37Å
655	I	89.1	Confident	89.5	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.051	39%	0.394	C	S	.	.	H	α-helix	trans	-64.7	-53.4	179.2	-67.5	158.9	0	0	0	110.1	L553 M554 F557 M651 Y652 G657 N658 V659	L553-I655 HydrophobicContact CD1-CG1 4.11Å; L553-I655 HydrophobicContact CD2-CG1 4.5Å; L553-I655 HydrophobicContact CG-CG1 4.11Å; M554-I655 HydrophobicContact CE-CG2 3.76Å; M554-I655 HydrophobicContact SD-CG2 4.33Å; F557-I655 HydrophobicContact CB-CD1 3.74Å; F557-I655 HydrophobicContact CD2-CD1 3.38Å; F557-I655 HydrophobicContact CE2-CD1 4.11Å; F557-I655 HydrophobicContact CG-CD1 3.65Å; M651-I655 HydrophobicContact CB-CD1 4.44Å; M651-I655 WeakPolarHBondContact O-CB 3.44Å; M651-I655 WeakPolarHBondContact O-CD1 3.24Å; M651-I655 WeakPolarHBondContact O-CG1 3.43Å; M651-I655 PolarHBondContact O-N 2.76Å; Y652-I655 PolarHBondContact O-N 3.29Å; I655-G657 VanDerWaalsContact C-N 3.33Å; I655-G657 PolarHBondContact O-N 2.87Å; I655-N658 PolarHBondContact O-N 3.13Å; I655-V659 HydrophobicContact CG2-CG2 4.24Å; I655-V659 WeakPolarHBondContact O-CB 3.41Å; I655-V659 VanDerWaalsContact O-CG2 3.22Å; I655-V659 WeakPolarHBondContact O-CG2 3.35Å; I655-V659 PolarHBondContact O-N 3.04Å
656	F	88.2	Confident	89	Confident	103 Å²	103	73 Å²	73	45%	0.452	40%	0.4	S	S	.	.	H	α-helix	trans	-65.9	-34.3	-179	-83.8	-94.5	0	0	0	112.8	Y652 S660	Y652-F656 AromaticContact CD1-CD2 3.84Å; Y652-F656 HydrophobicContact CD1-CD2 3.84Å; Y652-F656 HydrophobicContact CD1-CE2 4.22Å; Y652-F656 HydrophobicContact CD2-CD2 4.2Å; Y652-F656 AromaticContact CD2-CE2 3.92Å; Y652-F656 HydrophobicContact CD2-CE2 3.92Å; Y652-F656 AromaticContact CE1-CD2 3.63Å; Y652-F656 HydrophobicContact CE1-CD2 3.63Å; Y652-F656 AromaticContact CE1-CE2 3.73Å; Y652-F656 HydrophobicContact CE1-CE2 3.73Å; Y652-F656 HydrophobicContact CE1-CG 4.27Å; Y652-F656 HydrophobicContact CE1-CZ 4.42Å; Y652-F656 HydrophobicContact CE2-CD2 4.02Å; Y652-F656 AromaticContact CE2-CE2 3.4Å; Y652-F656 HydrophobicContact CE2-CE2 3.4Å; Y652-F656 VanDerWaalsContact CE2-CE2 3.4Å; Y652-F656 HydrophobicContact CE2-CZ 4.17Å; Y652-F656 HydrophobicContact CG-CD2 4.12Å; Y652-F656 HydrophobicContact CG-CE2 4.3Å; Y652-F656 AromaticContact CZ-CD2 3.73Å; Y652-F656 AromaticContact CZ-CE2 3.29Å; Y652-F656 AromaticContact CZ-CZ 3.82Å; Y652-F656 WeakPolarHBondContact O-CD2 3.48Å; Y652-F656 PolarHBondContact O-N 3.09Å; F656-S660 VanDerWaalsContact O-CB 3.27Å; F656-S660 WeakPolarHBondContact O-CB 3.45Å; F656-S660 PolarHBondContact O-N 3.46Å; F656-S660 PolarHBondContact O-OG 3.19Å
657	G	90.3	Very high	88.7	Confident	41 Å²	41	74.6 Å²	74.6	42%	0.423	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-50	171.7	0	0	0	0	0	112.6	A653 I655 S660 A661	A653-G657 PolarHBondContact O-N 2.95Å; I655-G657 VanDerWaalsContact C-N 3.33Å; I655-G657 PolarHBondContact O-N 2.87Å; G657-S660 PolarHBondContact O-N 3.18Å; G657-A661 WeakPolarHBondContact O-CB 3.27Å; G657-A661 PolarHBondContact O-N 2.68Å
658	N	87.4	Confident	88.4	Confident	66 Å²	66	74.7 Å²	74.7	35%	0.353	41%	0.406	S	S	.	.	H	α-helix	trans	-65.7	-41.8	178.1	-80.1	-68.4	0	0	0	112.8	L553 S654 I655 S660 A661 I662	L553-N658 HydrophobicContact CD2-CB 3.41Å; L553-N658 VanDerWaalsContact CD2-CB 3.41Å; S654-N658 WeakPolarHBondContact O-CB 3.49Å; S654-N658 PolarHBondContact O-N 3.33Å; S654-N658 PolarHBondContact O-ND2 3.38Å; S654-N658 PolarHBondContact OG-ND2 3.37Å; I655-N658 PolarHBondContact O-N 3.13Å; N658-S660 VanDerWaalsContact C-N 3.34Å; N658-S660 PolarHBondContact O-N 2.86Å; N658-A661 PolarHBondContact O-N 2.97Å; N658-I662 WeakPolarHBondContact O-CB 3.42Å; N658-I662 VanDerWaalsContact O-CG1 3.25Å; N658-I662 WeakPolarHBondContact O-CG1 3.29Å; N658-I662 PolarHBondContact O-N 3.03Å
659	V	87.4	Confident	88.1	Confident	31 Å²	31	76.4 Å²	76.4	19%	0.188	42%	0.424	C	S	.	.	H	α-helix	trans	-58.7	-47.2	174.2	170.1	0	0	0	0	110.2	L550 M554 I655 A661 I662 I663	L550-V659 HydrophobicContact CD1-CG2 3.69Å; M554-V659 HydrophobicContact CE-CG2 3.67Å; I655-V659 HydrophobicContact CG2-CG2 4.24Å; I655-V659 WeakPolarHBondContact O-CB 3.41Å; I655-V659 VanDerWaalsContact O-CG2 3.22Å; I655-V659 WeakPolarHBondContact O-CG2 3.35Å; I655-V659 PolarHBondContact O-N 3.04Å; V659-A661 PolarHBondContact O-N 2.98Å; V659-I662 PolarHBondContact O-N 3.43Å; V659-I663 HydrophobicContact CG1-CD1 3.73Å; V659-I663 HydrophobicContact CG1-CG1 4.45Å; V659-I663 VanDerWaalsContact O-CG1 3.3Å; V659-I663 WeakPolarHBondContact O-CG1 3.28Å; V659-I663 PolarHBondContact O-N 3.02Å
660	S	89.4	Confident	88	Confident	57 Å²	57	76.5 Å²	76.5	40%	0.399	42%	0.421	S	S	.	.	H	α-helix	trans	-61.5	-44.6	178.7	-59	0	0	0	0	112	F656 G657 N658 I662 I663 Q664	F656-S660 VanDerWaalsContact O-CB 3.27Å; F656-S660 WeakPolarHBondContact O-CB 3.45Å; F656-S660 PolarHBondContact O-N 3.46Å; F656-S660 PolarHBondContact O-OG 3.19Å; G657-S660 PolarHBondContact O-N 3.18Å; N658-S660 VanDerWaalsContact C-N 3.34Å; N658-S660 PolarHBondContact O-N 2.86Å; S660-I662 PolarHBondContact O-N 2.83Å; S660-I663 PolarHBondContact O-N 3.37Å; S660-Q664 WeakPolarHBondContact O-CB 3.37Å; S660-Q664 VanDerWaalsContact O-CG 3.31Å; S660-Q664 WeakPolarHBondContact O-CG 3.5Å; S660-Q664 PolarHBondContact O-N 2.92Å
661	A	87.9	Confident	87.9	Confident	51 Å²	51	73.4 Å²	73.4	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-37.6	176.6	0	0	0	0	0	112.8	G657 N658 V659 R665	G657-A661 WeakPolarHBondContact O-CB 3.27Å; G657-A661 PolarHBondContact O-N 2.68Å; N658-A661 PolarHBondContact O-N 2.97Å; V659-A661 PolarHBondContact O-N 2.98Å; A661-R665 VanDerWaalsContact O-CB 3.29Å; A661-R665 WeakPolarHBondContact O-CB 3.47Å; A661-R665 PolarHBondContact O-N 3.48Å
662	I	86.4	Confident	88	Confident	34 Å²	34	78.1 Å²	78.1	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-68.2	-40.9	175.6	-70.2	167.4	0	0	0	110.9	V549 L550 N658 V659 S660 R665 L666	V549-I662 HydrophobicContact CB-CD1 4.33Å; V549-I662 HydrophobicContact CG1-CD1 4.17Å; L550-I662 HydrophobicContact CB-CD1 4.08Å; N658-I662 WeakPolarHBondContact O-CB 3.42Å; N658-I662 VanDerWaalsContact O-CG1 3.25Å; N658-I662 WeakPolarHBondContact O-CG1 3.29Å; N658-I662 PolarHBondContact O-N 3.03Å; V659-I662 PolarHBondContact O-N 3.43Å; S660-I662 PolarHBondContact O-N 2.83Å; I662-R665 PolarHBondContact O-N 3.35Å; I662-L666 WeakPolarHBondContact O-CB 3.42Å; I662-L666 PolarHBondContact O-N 2.93Å
663	I	86.7	Confident	88.1	Confident	87 Å²	87	76 Å²	76	45%	0.446	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-49.6	174.6	-70.9	169	0	0	0	110.5	V659 S660 R665 L666 Y667	V659-I663 HydrophobicContact CG1-CD1 3.73Å; V659-I663 HydrophobicContact CG1-CG1 4.45Å; V659-I663 VanDerWaalsContact O-CG1 3.3Å; V659-I663 WeakPolarHBondContact O-CG1 3.28Å; V659-I663 PolarHBondContact O-N 3.02Å; S660-I663 PolarHBondContact O-N 3.37Å; I663-R665 VanDerWaalsContact C-N 3.3Å; I663-R665 PolarHBondContact O-N 3.26Å; I663-L666 PolarHBondContact O-N 3.18Å; I663-Y667 HydrophobicContact CG2-CD2 3.86Å; I663-Y667 HydrophobicContact CG2-CE2 4.12Å; I663-Y667 WeakPolarHBondContact O-CD2 3.11Å; I663-Y667 PolarHBondContact O-N 3.48Å
664	Q	87.1	Confident	88.2	Confident	144 Å²	144	77.7 Å²	77.7	67%	0.673	42%	0.417	S	S	*	.	H	α-helix	trans	-57.6	-42.1	175.7	-73	173.2	-2.2	0	0	112	S660 S668	S660-Q664 WeakPolarHBondContact O-CB 3.37Å; S660-Q664 VanDerWaalsContact O-CG 3.31Å; S660-Q664 WeakPolarHBondContact O-CG 3.5Å; S660-Q664 PolarHBondContact O-N 2.92Å; Q664-S668 WeakPolarHBondContact O-CA 3.26Å; Q664-S668 WeakPolarHBondContact O-CB 3.35Å; Q664-S668 PolarHBondContact O-N 3.47Å
665	R	85.5	Confident	88.4	Confident	167 Å²	167	78.1 Å²	78.1	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-65.6	-41.1	176.2	-176.3	176.4	175.3	-169.3	-3	112.4	A661 I662 I663 S668	A661-R665 VanDerWaalsContact O-CB 3.29Å; A661-R665 WeakPolarHBondContact O-CB 3.47Å; A661-R665 PolarHBondContact O-N 3.48Å; I662-R665 PolarHBondContact O-N 3.35Å; I663-R665 VanDerWaalsContact C-N 3.3Å; I663-R665 PolarHBondContact O-N 3.26Å; R665-S668 WeakPolarHBondContact O-CB 3.26Å; R665-S668 PolarHBondContact O-N 3.48Å; R665-S668 PolarHBondContact O-OG 3.08Å
666	L	84.4	Confident	88.6	Confident	132 Å²	132	80.3 Å²	80.3	69%	0.691	43%	0.427	S	S	*	.	H	α-helix	trans	-65	-45.9	178.9	-179.1	63.1	0	0	0	111.7	I662 I663 S668	I662-L666 WeakPolarHBondContact O-CB 3.42Å; I662-L666 PolarHBondContact O-N 2.93Å; I663-L666 PolarHBondContact O-N 3.18Å; L666-S668 VanDerWaalsContact C-N 3.31Å; L666-S668 PolarHBondContact O-N 2.96Å
667	Y	87.3	Confident	88.8	Confident	140 Å²	140	75.6 Å²	75.6	55%	0.549	41%	0.407	S	S	.	.	H	α-helix	trans	-83.8	0.1	179.5	-69.7	-72.1	0	0	0	114.3	I663 G669 T670 A671	I663-Y667 HydrophobicContact CG2-CD2 3.86Å; I663-Y667 HydrophobicContact CG2-CE2 4.12Å; I663-Y667 WeakPolarHBondContact O-CD2 3.11Å; I663-Y667 PolarHBondContact O-N 3.48Å; Y667-G669 VanDerWaalsContact C-N 3.29Å; Y667-G669 PolarHBondContact O-N 3.5Å; Y667-T670 PolarHBondContact O-N 3.05Å; Y667-T670 VanDerWaalsContact O-N 3.09Å; Y667-A671 WeakPolarHBondContact O-CB 3.36Å; Y667-A671 PolarHBondContact O-N 2.87Å
668	S	87.8	Confident	89.1	Confident	67 Å²	67	78.1 Å²	78.1	47%	0.469	41%	0.41	S	S	.	.	H	α-helix	trans	-53.9	-38.8	-175.8	61.8	0	0	0	0	114.4	Q664 R665 L666 R672	Q664-S668 WeakPolarHBondContact O-CA 3.26Å; Q664-S668 WeakPolarHBondContact O-CB 3.35Å; Q664-S668 PolarHBondContact O-N 3.47Å; R665-S668 WeakPolarHBondContact O-CB 3.26Å; R665-S668 PolarHBondContact O-N 3.48Å; R665-S668 PolarHBondContact O-OG 3.08Å; L666-S668 VanDerWaalsContact C-N 3.31Å; L666-S668 PolarHBondContact O-N 2.96Å; S668-R672 VanDerWaalsContact O-CB 3.29Å; S668-R672 WeakPolarHBondContact O-CB 3.5Å; S668-R672 PolarHBondContact O-N 3.35Å
669	G	86.1	Confident	89.5	Confident	38 Å²	38	81.7 Å²	81.7	39%	0.392	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-48.4	175.8	0	0	0	0	0	112.7	Y667 R672 Y673 W705	Y667-G669 VanDerWaalsContact C-N 3.29Å; Y667-G669 PolarHBondContact O-N 3.5Å; G669-R672 PolarHBondContact O-N 3.08Å; G669-Y673 PolarHBondContact O-N 2.86Å; G669-W705 WeakPolarHBondContact O-CZ2 3.35Å
670	T	88.6	Confident	89.8	Confident	75 Å²	75	81.8 Å²	81.8	46%	0.46	42%	0.419	S	S	.	.	H	α-helix	trans	-66.5	-41.2	178.7	-47.9	0	0	0	0	111.6	Y667 Y673 H674	Y667-T670 PolarHBondContact O-N 3.05Å; Y667-T670 VanDerWaalsContact O-N 3.09Å; T670-Y673 WeakPolarHBondContact O-CB 3.44Å; T670-Y673 PolarHBondContact O-N 3.32Å; T670-H674 PolarHBondContact O-CD2 3.38Å; T670-H674 PolarHBondContact O-N 2.94Å
671	A	89.4	Confident	90.1	Very high	51 Å²	51	84.4 Å²	84.4	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-59.5	-49.3	173.7	0	0	0	0	0	110.9	Y667 Y673 H674 T675	Y667-A671 WeakPolarHBondContact O-CB 3.36Å; Y667-A671 PolarHBondContact O-N 2.87Å; A671-Y673 VanDerWaalsContact C-N 3.33Å; A671-Y673 PolarHBondContact O-N 2.96Å; A671-H674 PolarHBondContact O-N 3.15Å; A671-T675 PolarHBondContact O-N 3.36Å; A671-T675 PolarHBondContact O-OG1 2.8Å; A671-T675 VanDerWaalsContact O-OG1 3.06Å
672	R	90.4	Very high	90.5	Very high	128 Å²	128	86.9 Å²	86.9	48%	0.483	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-39.4	177.5	-168.7	-177.8	172.6	-150.9	-9.5	112.2	S668 G669 T675 Q676 W705 G710	S668-R672 VanDerWaalsContact O-CB 3.29Å; S668-R672 WeakPolarHBondContact O-CB 3.5Å; S668-R672 PolarHBondContact O-N 3.35Å; G669-R672 PolarHBondContact O-N 3.08Å; R672-T675 PolarHBondContact O-N 2.98Å; R672-Q676 WeakPolarHBondContact O-CG 3.37Å; R672-Q676 PolarHBondContact O-N 3.3Å; R672-W705 HydrophobicContact CB-CH2 4.04Å; R672-W705 HydrophobicContact CG-CH2 3.86Å; R672-G710 PolarHBondContact NH1-O 3.37Å; R672-G710 PolarHBondContact NH2-O 2.89Å; R672-G710 VanDerWaalsContact NH2-O 3.13Å
673	Y	92	Very high	90.9	Very high	49 Å²	49	90.6 Å²	90.6	19%	0.192	44%	0.438	C	S	.	.	H	α-helix	trans	-56.4	-53.2	172.8	170.3	-108.9	0	0	0	111.3	G669 T670 A671 T675 Q676 M677 F701 Q702 W705	G669-Y673 PolarHBondContact O-N 2.86Å; T670-Y673 WeakPolarHBondContact O-CB 3.44Å; T670-Y673 PolarHBondContact O-N 3.32Å; A671-Y673 VanDerWaalsContact C-N 3.33Å; A671-Y673 PolarHBondContact O-N 2.96Å; Y673-T675 PolarHBondContact O-N 3.5Å; Y673-Q676 PolarHBondContact O-N 3.21Å; Y673-M677 HydrophobicContact CE2-CE 4.42Å; Y673-M677 WeakPolarHBondContact O-CB 3.34Å; Y673-M677 PolarHBondContact O-N 3.33Å; Y673-F701 AromaticContact CD2-CE1 3.89Å; Y673-F701 HydrophobicContact CD2-CE1 3.89Å; Y673-F701 HydrophobicContact CE2-CD1 4.26Å; Y673-F701 AromaticContact CE2-CE1 3.75Å; Y673-F701 HydrophobicContact CE2-CE1 3.75Å; Y673-Q702 WeakPolarHBondContact OH-CG 3.39Å; Y673-W705 HydrophobicContact CD2-CB 4.25Å; Y673-W705 AromaticContact CD2-CD1 3.66Å; Y673-W705 AromaticContact CD2-CD2 3.67Å; Y673-W705 HydrophobicContact CD2-CD2 3.67Å; Y673-W705 AromaticContact CD2-CE2 3.87Å; Y673-W705 HydrophobicContact CD2-CE3 4.28Å; Y673-W705 AromaticContact CD2-CG 3.58Å; Y673-W705 HydrophobicContact CD2-CG 3.58Å; Y673-W705 AromaticContact CD2-NE1 3.83Å; Y673-W705 HydrophobicContact CE2-CB 4.37Å; Y673-W705 HydrophobicContact CE2-CG 4.15Å; Y673-W705 HydrophobicContact CG-CD2 4.42Å
674	H	92.6	Very high	91.4	Very high	100 Å²	100	86.9 Å²	86.9	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-41.8	-179.7	-71.3	-63.2	0	0	0	112.5	T670 A671 Q676 M677 L678	T670-H674 PolarHBondContact O-CD2 3.38Å; T670-H674 PolarHBondContact O-N 2.94Å; A671-H674 PolarHBondContact O-N 3.15Å; H674-Q676 VanDerWaalsContact C-N 3.35Å; H674-Q676 PolarHBondContact O-N 3.49Å; H674-M677 PolarHBondContact O-N 3.26Å; H674-L678 WeakPolarHBondContact O-CB 3.36Å; H674-L678 VanDerWaalsContact O-CG 3.29Å; H674-L678 WeakPolarHBondContact O-CG 3.29Å; H674-L678 PolarHBondContact O-N 2.89Å
675	T	93.3	Very high	91.8	Very high	69 Å²	69	89.4 Å²	89.4	42%	0.423	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-39.2	176.1	-53.4	0	0	0	0	112.6	A671 R672 Y673 R679	A671-T675 PolarHBondContact O-N 3.36Å; A671-T675 PolarHBondContact O-OG1 2.8Å; A671-T675 VanDerWaalsContact O-OG1 3.06Å; R672-T675 PolarHBondContact O-N 2.98Å; Y673-T675 PolarHBondContact O-N 3.5Å; T675-R679 WeakPolarHBondContact O-CG 3.5Å; T675-R679 PolarHBondContact O-N 3.35Å
676	Q	92.3	Very high	92.3	Very high	56 Å²	56	89.3 Å²	89.3	26%	0.262	43%	0.427	S	S	.	.	H	α-helix	trans	-75.3	-38.1	176.7	-63.1	-48.9	-46.7	0	0	112.3	R672 Y673 H674 L678 R679 V680 F701 W705	R672-Q676 WeakPolarHBondContact O-CG 3.37Å; R672-Q676 PolarHBondContact O-N 3.3Å; Y673-Q676 PolarHBondContact O-N 3.21Å; H674-Q676 VanDerWaalsContact C-N 3.35Å; H674-Q676 PolarHBondContact O-N 3.49Å; Q676-L678 VanDerWaalsContact C-N 3.32Å; Q676-L678 PolarHBondContact O-N 3.35Å; Q676-R679 VanDerWaalsContact NE2-NH1 3.17Å; Q676-R679 PolarHBondContact O-N 3.25Å; Q676-V680 WeakPolarHBondContact O-CG2 3.42Å; Q676-V680 PolarHBondContact O-N 2.95Å; Q676-F701 HydrophobicContact CB-CE2 4.02Å; Q676-F701 HydrophobicContact CB-CZ 3.55Å; Q676-W705 HydrophobicContact CG-CZ3 4.41Å
677	M	92.8	Very high	92.9	Very high	5 Å²	5	87.9 Å²	87.9	3%	0.025	42%	0.416	C	S	.	.	H	α-helix	trans	-62.4	-37.4	173.6	176.2	58.1	81.5	0	0	112.2	Y673 H674 V680 R681 F701 Q702	Y673-M677 HydrophobicContact CE2-CE 4.42Å; Y673-M677 WeakPolarHBondContact O-CB 3.34Å; Y673-M677 PolarHBondContact O-N 3.33Å; H674-M677 PolarHBondContact O-N 3.26Å; M677-V680 PolarHBondContact O-N 2.94Å; M677-R681 WeakPolarHBondContact O-CG 3.47Å; M677-R681 PolarHBondContact O-N 2.98Å; M677-R681 HydrophobicContact SD-CG 4.24Å; M677-F701 HydrophobicContact CB-CE1 4.15Å; M677-F701 HydrophobicContact CE-CD1 3.66Å; M677-F701 HydrophobicContact CE-CE1 4.27Å; M677-F701 HydrophobicContact SD-CD1 4.43Å; M677-Q702 HydrophobicContact CE-CG 3.73Å
678	L	95.8	Very high	93.3	Very high	93 Å²	93	89.5 Å²	89.5	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-60.5	-48.8	173.1	-78.4	170.6	0	0	0	111.3	H674 Q676 V680 R681 E682	H674-L678 WeakPolarHBondContact O-CB 3.36Å; H674-L678 VanDerWaalsContact O-CG 3.29Å; H674-L678 WeakPolarHBondContact O-CG 3.29Å; H674-L678 PolarHBondContact O-N 2.89Å; Q676-L678 VanDerWaalsContact C-N 3.32Å; Q676-L678 PolarHBondContact O-N 3.35Å; L678-V680 VanDerWaalsContact C-N 3.31Å; L678-V680 PolarHBondContact O-N 2.97Å; L678-R681 CarbonylContact O-C 3.55Å; L678-R681 WeakPolarHBondContact O-CA 3.34Å; L678-R681 PolarHBondContact O-N 2.9Å; L678-E682 WeakPolarHBondContact O-CB 3.18Å; L678-E682 VanDerWaalsContact O-CG 3.31Å; L678-E682 WeakPolarHBondContact O-CG 3.25Å; L678-E682 PolarHBondContact O-N 3.1Å
679	R	95.8	Very high	93.7	Very high	141 Å²	141	87.6 Å²	87.6	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-57.2	-41	175.3	-68.6	167.9	178	-166.1	-6.3	113.2	T675 Q676 R681 E682 F683	T675-R679 WeakPolarHBondContact O-CG 3.5Å; T675-R679 PolarHBondContact O-N 3.35Å; Q676-R679 VanDerWaalsContact NE2-NH1 3.17Å; Q676-R679 PolarHBondContact O-N 3.25Å; R679-R681 VanDerWaalsContact C-N 3.35Å; R679-E682 PolarHBondContact O-N 3.05Å; R679-F683 WeakPolarHBondContact O-CB 3.44Å; R679-F683 PolarHBondContact O-N 3.44Å
680	V	95.1	Very high	94.1	Very high	34 Å²	34	89.7 Å²	89.7	21%	0.206	42%	0.42	C	S	.	.	H	α-helix	trans	-63	-42.1	175.3	171.2	0	0	0	0	110.8	Q676 M677 L678 F683 I684 F701	Q676-V680 WeakPolarHBondContact O-CG2 3.42Å; Q676-V680 PolarHBondContact O-N 2.95Å; M677-V680 PolarHBondContact O-N 2.94Å; L678-V680 VanDerWaalsContact C-N 3.31Å; L678-V680 PolarHBondContact O-N 2.97Å; V680-F683 PolarHBondContact O-N 3.48Å; V680-I684 HydrophobicContact CG1-CD1 3.74Å; V680-I684 WeakPolarHBondContact O-CB 3.38Å; V680-I684 WeakPolarHBondContact O-CD1 3.44Å; V680-I684 WeakPolarHBondContact O-CG1 3.39Å; V680-I684 PolarHBondContact O-N 3.45Å; V680-F701 HydrophobicContact CG2-CD2 4.02Å; V680-F701 HydrophobicContact CG2-CE2 4.43Å; V680-F701 HydrophobicContact CG2-CG 4.34Å
681	R	94.4	Very high	94.3	Very high	111 Å²	111	91.8 Å²	91.8	42%	0.419	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-34.4	177.5	-72.4	172.4	170.8	179.5	-2.1	113.5	M677 L678 R679 R685 E698	M677-R681 WeakPolarHBondContact O-CG 3.47Å; M677-R681 PolarHBondContact O-N 2.98Å; M677-R681 HydrophobicContact SD-CG 4.24Å; L678-R681 CarbonylContact O-C 3.55Å; L678-R681 WeakPolarHBondContact O-CA 3.34Å; L678-R681 PolarHBondContact O-N 2.9Å; R679-R681 VanDerWaalsContact C-N 3.35Å; R681-R685 WeakPolarHBondContact O-CB 3.29Å; R681-R685 PolarHBondContact O-N 3.48Å; R681-E698 IonicContact CZ-OE2 2.85Å; R681-E698 VanDerWaalsContact CZ-OE2 3.23Å; R681-E698 IonicContact NE-OE2 3.25Å; R681-E698 PolarHBondContact NE-OE2 3.46Å; R681-E698 IonicContact NH2-OE2 3.23Å; R681-E698 PolarHBondContact NH2-OE2 2.88Å
682	E	96.2	Very high	94.3	Very high	104 Å²	104	93.8 Å²	93.8	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-64.9	-47	172.4	-73.7	156.1	-169.3	0	0	110.7	L678 R679 I684 R685 F686	L678-E682 WeakPolarHBondContact O-CB 3.18Å; L678-E682 VanDerWaalsContact O-CG 3.31Å; L678-E682 WeakPolarHBondContact O-CG 3.25Å; L678-E682 PolarHBondContact O-N 3.1Å; R679-E682 PolarHBondContact O-N 3.05Å; E682-I684 PolarHBondContact O-N 3.27Å; E682-R685 PolarHBondContact O-N 3.42Å; E682-F686 VanDerWaalsContact O-CB 3.31Å; E682-F686 WeakPolarHBondContact O-CB 3.3Å; E682-F686 PolarHBondContact O-N 3.38Å
683	F	96.7	Very high	94.3	Very high	111 Å²	111	91.9 Å²	91.9	49%	0.487	44%	0.436	S	S	.	.	H	α-helix	trans	-58.8	-46.4	173.7	178.5	-95	0	0	0	112.4	R679 V680 R685 F686 H687 I689	R679-F683 WeakPolarHBondContact O-CB 3.44Å; R679-F683 PolarHBondContact O-N 3.44Å; V680-F683 PolarHBondContact O-N 3.48Å; F683-R685 VanDerWaalsContact C-N 3.32Å; F683-R685 PolarHBondContact O-N 3.3Å; F683-F686 PolarHBondContact O-N 3.19Å; F683-H687 AromaticContact CD2-CD2 3.5Å; F683-H687 AromaticContact CD2-NE2 3.73Å; F683-H687 AromaticContact CE2-CD2 3.28Å; F683-H687 WeakPolarHBondContact CE2-CD2 3.34Å; F683-H687 AromaticContact CE2-NE2 3.33Å; F683-H687 VanDerWaalsContact CE2-NE2 3.33Å; F683-H687 WeakPolarHBondContact CE2-NE2 3.46Å; F683-H687 AromaticContact CZ-CD2 3.63Å; F683-H687 AromaticContact CZ-NE2 4Å; F683-H687 PolarHBondContact O-CD2 2.89Å; F683-H687 PolarHBondContact O-N 3.35Å; F683-I689 HydrophobicContact CD1-CD1 3.94Å; F683-I689 HydrophobicContact CE1-CD1 3.69Å
684	I	95.7	Very high	94.2	Very high	10 Å²	10	94.2 Å²	94.2	5%	0.051	44%	0.444	C	S	.	.	H	α-helix	trans	-59	-41.6	175.2	-76.5	163	0	0	0	111.8	V680 E682 Q688 I689 R694 L697 E698	V680-I684 HydrophobicContact CG1-CD1 3.74Å; V680-I684 WeakPolarHBondContact O-CB 3.38Å; V680-I684 WeakPolarHBondContact O-CD1 3.44Å; V680-I684 WeakPolarHBondContact O-CG1 3.39Å; V680-I684 PolarHBondContact O-N 3.45Å; E682-I684 PolarHBondContact O-N 3.27Å; I684-Q688 PolarHBondContact O-N 3.06Å; I684-I689 HydrophobicContact CG1-CB 4.49Å; I684-I689 HydrophobicContact CG1-CD1 4.12Å; I684-I689 HydrophobicContact CG2-CB 4.3Å; I684-I689 PolarHBondContact O-N 2.87Å; I684-R694 HydrophobicContact CD1-CG 4.26Å; I684-R694 HydrophobicContact CG2-CB 4.08Å; I684-R694 HydrophobicContact CG2-CG 3.85Å; I684-L697 HydrophobicContact CD1-CB 4.11Å; I684-L697 HydrophobicContact CD1-CD1 4.29Å; I684-L697 HydrophobicContact CG1-CD1 4.06Å; I684-E698 HydrophobicContact CD1-CG 4.12Å
685	R	95.4	Very high	94.1	Very high	197 Å²	197	94.9 Å²	94.9	74%	0.743	45%	0.448	S	S	*	.	H	α-helix	trans	-70	-44.7	177.8	-174.6	-173.8	-66.3	164	-2.2	111.9	R681 E682 F683 Q688	R681-R685 WeakPolarHBondContact O-CB 3.29Å; R681-R685 PolarHBondContact O-N 3.48Å; E682-R685 PolarHBondContact O-N 3.42Å; F683-R685 VanDerWaalsContact C-N 3.32Å; F683-R685 PolarHBondContact O-N 3.3Å; R685-Q688 PolarHBondContact O-N 3.33Å
686	F	96.9	Very high	93.8	Very high	164 Å²	164	97.3 Å²	97.3	72%	0.719	45%	0.449	S	S	*	.	H	α-helix	trans	-63.7	-44	-177.7	-178.7	-99.2	0	0	0	112.1	E682 F683 Q688	E682-F686 VanDerWaalsContact O-CB 3.31Å; E682-F686 WeakPolarHBondContact O-CB 3.3Å; E682-F686 PolarHBondContact O-N 3.38Å; F683-F686 PolarHBondContact O-N 3.19Å; F686-Q688 VanDerWaalsContact C-N 3.32Å
687	H	96.6	Very high	93.7	Very high	103 Å²	103	97.4 Å²	97.4	48%	0.477	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.5	176.8	-66.3	-67.6	0	0	0	114.3	F683 I689	F683-H687 AromaticContact CD2-CD2 3.5Å; F683-H687 AromaticContact CD2-NE2 3.73Å; F683-H687 AromaticContact CE2-CD2 3.28Å; F683-H687 WeakPolarHBondContact CE2-CD2 3.34Å; F683-H687 AromaticContact CE2-NE2 3.33Å; F683-H687 VanDerWaalsContact CE2-NE2 3.33Å; F683-H687 WeakPolarHBondContact CE2-NE2 3.46Å; F683-H687 AromaticContact CZ-CD2 3.63Å; F683-H687 AromaticContact CZ-NE2 4Å; F683-H687 PolarHBondContact O-CD2 2.89Å; F683-H687 PolarHBondContact O-N 3.35Å; H687-I689 HydrophobicContact CB-CD1 4.32Å; H687-I689 HydrophobicContact CB-CG1 3.88Å; H687-I689 PolarHBondContact O-N 3.36Å
688	Q	96.2	Very high	93.6	Very high	174 Å²	174	98 Å²	98	81%	0.813	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	43	-179.1	-58.3	-171.8	-1.8	0	0	113.9	I684 R685 F686	I684-Q688 PolarHBondContact O-N 3.06Å; R685-Q688 PolarHBondContact O-N 3.33Å; F686-Q688 VanDerWaalsContact C-N 3.32Å
689	I	95.5	Very high	93.2	Very high	27 Å²	27	98 Å²	98	14%	0.138	45%	0.451	C	S	.	.			trans	-64.4	127.6	-170.9	-62.1	-173.5	0	0	0	110.7	F683 I684 H687 L693 R694 L697	F683-I689 HydrophobicContact CD1-CD1 3.94Å; F683-I689 HydrophobicContact CE1-CD1 3.69Å; I684-I689 HydrophobicContact CG1-CB 4.49Å; I684-I689 HydrophobicContact CG1-CD1 4.12Å; I684-I689 HydrophobicContact CG2-CB 4.3Å; I684-I689 PolarHBondContact O-N 2.87Å; H687-I689 HydrophobicContact CB-CD1 4.32Å; H687-I689 HydrophobicContact CB-CG1 3.88Å; H687-I689 PolarHBondContact O-N 3.36Å; I689-L693 HydrophobicContact CG2-CB 3.88Å; I689-L693 HydrophobicContact CG2-CD2 3.96Å; I689-L693 HydrophobicContact CG2-CG 3.8Å; I689-R694 HydrophobicContact CG2-CB 4.35Å; I689-L697 HydrophobicContact CD1-CD1 3.91Å; I689-L697 HydrophobicContact CG2-CD1 4.25Å
690	P	95.5	Very high	92.8	Very high	82 Å²	82	96.4 Å²	96.4	53%	0.532	45%	0.446	S	S	.	.			trans	-65.9	145.4	-175	26.6	-35.7	0	0	0	112.3	P692 L693 R694	P690-P692 VanDerWaalsContact C-CD 3.47Å; P690-P692 VanDerWaalsContact O-N 3.11Å; P690-L693 HydrophobicContact CG-CB 4.47Å; P690-L693 PolarHBondContact O-N 3.05Å; P690-R694 PolarHBondContact O-N 3.26Å
691	N	91.6	Very high	92.5	Very high	118 Å²	118	96.6 Å²	96.6	63%	0.631	44%	0.444	S	S	*	.	H	α-helix	trans	-40.9	-47.6	-175.3	-73.5	-28.9	0	0	0	116.4	L693 R694 Q695	N691-L693 PolarHBondContact O-N 3.06Å; N691-R694 PolarHBondContact O-N 3.03Å; N691-Q695 WeakPolarHBondContact O-CB 3.4Å; N691-Q695 PolarHBondContact O-N 2.99Å
692	P	90.2	Very high	92.3	Very high	93 Å²	93	95.5 Å²	95.5	60%	0.604	44%	0.444	S	S	*	.	H	α-helix	trans	-63.6	-38.8	178.9	23.3	-34.7	0	0	0	113.9	P690 R696	P690-P692 VanDerWaalsContact C-CD 3.47Å; P690-P692 VanDerWaalsContact O-N 3.11Å; P692-R696 WeakPolarHBondContact O-CG 3.47Å; P692-R696 PolarHBondContact O-N 3.24Å
693	L	89.1	Confident	91.7	Very high	89 Å²	89	91.9 Å²	91.9	47%	0.466	43%	0.427	S	S	.	.	H	α-helix	trans	-76	-37.6	176.5	-179.2	56.2	0	0	0	111	I689 P690 N691 Q695 R696 L697	I689-L693 HydrophobicContact CG2-CB 3.88Å; I689-L693 HydrophobicContact CG2-CD2 3.96Å; I689-L693 HydrophobicContact CG2-CG 3.8Å; P690-L693 HydrophobicContact CG-CB 4.47Å; P690-L693 PolarHBondContact O-N 3.05Å; N691-L693 PolarHBondContact O-N 3.06Å; L693-Q695 VanDerWaalsContact C-N 3.33Å; L693-Q695 PolarHBondContact O-N 3.37Å; L693-R696 PolarHBondContact O-N 2.91Å; L693-L697 HydrophobicContact CG-CD1 4.38Å; L693-L697 WeakPolarHBondContact O-CG 3.27Å; L693-L697 PolarHBondContact O-N 3.33Å
694	R	91	Very high	91.2	Very high	97 Å²	97	87.6 Å²	87.6	37%	0.366	41%	0.412	S	S	.	.	H	α-helix	trans	-55.3	-46.5	171.2	161.5	174.3	-173.9	-151.8	-8.5	111.8	I684 I689 P690 N691 L697 E698	I684-R694 HydrophobicContact CD1-CG 4.26Å; I684-R694 HydrophobicContact CG2-CB 4.08Å; I684-R694 HydrophobicContact CG2-CG 3.85Å; I689-R694 HydrophobicContact CG2-CB 4.35Å; P690-R694 PolarHBondContact O-N 3.26Å; N691-R694 PolarHBondContact O-N 3.03Å; R694-L697 PolarHBondContact O-N 2.67Å; R694-E698 IonicContact CZ-OE1 2.8Å; R694-E698 VanDerWaalsContact CZ-OE1 3.25Å; R694-E698 IonicContact NE-OE1 2.73Å; R694-E698 PolarHBondContact NE-OE1 2.91Å; R694-E698 IonicContact NH2-OE1 2.81Å; R694-E698 PolarHBondContact NH2-OE1 2.77Å; R694-E698 PolarHBondContact O-N 2.95Å
695	Q	90.3	Very high	90.8	Very high	114 Å²	114	89.2 Å²	89.2	53%	0.533	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-48.2	-180	-179.2	172.9	-8.5	0	0	110.7	N691 L693 L697 E698 E699	N691-Q695 WeakPolarHBondContact O-CB 3.4Å; N691-Q695 PolarHBondContact O-N 2.99Å; L693-Q695 VanDerWaalsContact C-N 3.33Å; L693-Q695 PolarHBondContact O-N 3.37Å; Q695-L697 VanDerWaalsContact C-N 3.3Å; Q695-L697 PolarHBondContact O-N 2.99Å; Q695-E698 PolarHBondContact O-N 3.49Å; Q695-E699 HydrophobicContact CG-CG 4.26Å; Q695-E699 VanDerWaalsContact CG-OE1 3.28Å; Q695-E699 WeakPolarHBondContact CG-OE1 3.38Å; Q695-E699 PolarHBondContact NE2-OE1 3.44Å; Q695-E699 WeakPolarHBondContact O-CB 3.47Å; Q695-E699 WeakPolarHBondContact O-CG 3.38Å; Q695-E699 PolarHBondContact O-N 2.88Å
696	R	86.9	Confident	90.4	Very high	121 Å²	121	83.5 Å²	83.5	46%	0.457	41%	0.408	S	S	.	.	H	α-helix	trans	-56.9	-41.1	175	-67.8	-177.2	-170.4	-167.9	2.1	112.5	P692 L693 Y700	P692-R696 WeakPolarHBondContact O-CG 3.47Å; P692-R696 PolarHBondContact O-N 3.24Å; L693-R696 PolarHBondContact O-N 2.91Å; R696-Y700 WeakPolarHBondContact O-CB 3.37Å; R696-Y700 PolarHBondContact O-N 2.94Å
697	L	89.5	Confident	89.7	Confident	57 Å²	57	80.9 Å²	80.9	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-46.1	176.6	-71.6	170.7	0	0	0	112.9	I684 I689 L693 R694 Q695 F701	I684-L697 HydrophobicContact CD1-CB 4.11Å; I684-L697 HydrophobicContact CD1-CD1 4.29Å; I684-L697 HydrophobicContact CG1-CD1 4.06Å; I689-L697 HydrophobicContact CD1-CD1 3.91Å; I689-L697 HydrophobicContact CG2-CD1 4.25Å; L693-L697 HydrophobicContact CG-CD1 4.38Å; L693-L697 WeakPolarHBondContact O-CG 3.27Å; L693-L697 PolarHBondContact O-N 3.33Å; R694-L697 PolarHBondContact O-N 2.67Å; Q695-L697 VanDerWaalsContact C-N 3.3Å; Q695-L697 PolarHBondContact O-N 2.99Å; L697-F701 WeakPolarHBondContact O-CB 3.46Å; L697-F701 PolarHBondContact O-N 3.48Å
698	E	91.2	Very high	89.2	Confident	17 Å²	17	77.5 Å²	77.5	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-67.3	-35.4	177.9	-70.2	-163.6	-125.3	0	0	111.8	R681 I684 R694 Q695 Q702	R681-E698 IonicContact CZ-OE2 2.85Å; R681-E698 VanDerWaalsContact CZ-OE2 3.23Å; R681-E698 IonicContact NE-OE2 3.25Å; R681-E698 PolarHBondContact NE-OE2 3.46Å; R681-E698 IonicContact NH2-OE2 3.23Å; R681-E698 PolarHBondContact NH2-OE2 2.88Å; I684-E698 HydrophobicContact CD1-CG 4.12Å; R694-E698 IonicContact CZ-OE1 2.8Å; R694-E698 VanDerWaalsContact CZ-OE1 3.25Å; R694-E698 IonicContact NE-OE1 2.73Å; R694-E698 PolarHBondContact NE-OE1 2.91Å; R694-E698 IonicContact NH2-OE1 2.81Å; R694-E698 PolarHBondContact NH2-OE1 2.77Å; R694-E698 PolarHBondContact O-N 2.95Å; Q695-E698 PolarHBondContact O-N 3.49Å; E698-Q702 WeakPolarHBondContact O-CB 3.29Å; E698-Q702 VanDerWaalsContact O-CG 3.26Å; E698-Q702 WeakPolarHBondContact O-CG 3.33Å; E698-Q702 PolarHBondContact O-N 3.36Å; E698-Q702 VanDerWaalsContact O-N 3.13Å; E698-Q702 PolarHBondContact O-NE2 3.48Å
699	E	88.4	Confident	88.6	Confident	93 Å²	93	74.9 Å²	74.9	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-73.6	-46.6	176.4	-73.5	176.7	-179.1	0	0	112.5	Q695 F701 Q702 H703	Q695-E699 HydrophobicContact CG-CG 4.26Å; Q695-E699 VanDerWaalsContact CG-OE1 3.28Å; Q695-E699 WeakPolarHBondContact CG-OE1 3.38Å; Q695-E699 PolarHBondContact NE2-OE1 3.44Å; Q695-E699 WeakPolarHBondContact O-CB 3.47Å; Q695-E699 WeakPolarHBondContact O-CG 3.38Å; Q695-E699 PolarHBondContact O-N 2.88Å; E699-F701 VanDerWaalsContact C-N 3.31Å; E699-F701 PolarHBondContact O-N 3.48Å; E699-Q702 PolarHBondContact O-N 3.33Å; E699-H703 WeakPolarHBondContact O-CB 3.28Å; E699-H703 PolarHBondContact O-N 2.98Å
700	Y	86.1	Confident	88	Confident	109 Å²	109	74 Å²	74	43%	0.427	37%	0.369	S	S	.	.	H	α-helix	trans	-55.7	-46.9	174	172.6	-91.1	0	0	0	110.9	R696 H703 A704	R696-Y700 WeakPolarHBondContact O-CB 3.37Å; R696-Y700 PolarHBondContact O-N 2.94Å; Y700-H703 PolarHBondContact O-N 3.47Å; Y700-A704 HydrophobicContact CE1-CB 4.41Å; Y700-A704 WeakPolarHBondContact O-CB 3.3Å; Y700-A704 PolarHBondContact O-N 3Å
701	F	89.4	Confident	87.6	Confident	37 Å²	37	74.1 Å²	74.1	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-44.9	179.1	-177.9	-89.4	0	0	0	112.2	Y673 Q676 M677 V680 L697 E699 H703 W705	Y673-F701 AromaticContact CD2-CE1 3.89Å; Y673-F701 HydrophobicContact CD2-CE1 3.89Å; Y673-F701 HydrophobicContact CE2-CD1 4.26Å; Y673-F701 AromaticContact CE2-CE1 3.75Å; Y673-F701 HydrophobicContact CE2-CE1 3.75Å; Q676-F701 HydrophobicContact CB-CE2 4.02Å; Q676-F701 HydrophobicContact CB-CZ 3.55Å; M677-F701 HydrophobicContact CB-CE1 4.15Å; M677-F701 HydrophobicContact CE-CD1 3.66Å; M677-F701 HydrophobicContact CE-CE1 4.27Å; M677-F701 HydrophobicContact SD-CD1 4.43Å; V680-F701 HydrophobicContact CG2-CD2 4.02Å; V680-F701 HydrophobicContact CG2-CE2 4.43Å; V680-F701 HydrophobicContact CG2-CG 4.34Å; L697-F701 WeakPolarHBondContact O-CB 3.46Å; L697-F701 PolarHBondContact O-N 3.48Å; E699-F701 VanDerWaalsContact C-N 3.31Å; E699-F701 PolarHBondContact O-N 3.48Å; F701-H703 PolarHBondContact O-N 3.35Å; F701-W705 HydrophobicContact CE1-CE3 4.36Å; F701-W705 AromaticContact CZ-CE3 3.78Å; F701-W705 HydrophobicContact CZ-CE3 3.78Å; F701-W705 HydrophobicContact CZ-CZ3 4.38Å; F701-W705 VanDerWaalsContact O-CB 3.26Å; F701-W705 WeakPolarHBondContact O-CB 3.35Å; F701-W705 PolarHBondContact O-N 3.28Å
702	Q	90.1	Very high	87.3	Confident	88 Å²	88	72.1 Å²	72.1	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-46.8	175.4	-81	171	83.1	0	0	111.8	Y673 M677 E698 E699 W705 S706	Y673-Q702 WeakPolarHBondContact OH-CG 3.39Å; M677-Q702 HydrophobicContact CE-CG 3.73Å; E698-Q702 WeakPolarHBondContact O-CB 3.29Å; E698-Q702 VanDerWaalsContact O-CG 3.26Å; E698-Q702 WeakPolarHBondContact O-CG 3.33Å; E698-Q702 PolarHBondContact O-N 3.36Å; E698-Q702 VanDerWaalsContact O-N 3.13Å; E698-Q702 PolarHBondContact O-NE2 3.48Å; E699-Q702 PolarHBondContact O-N 3.33Å; Q702-W705 PolarHBondContact O-N 3.4Å; Q702-S706 WeakPolarHBondContact O-CB 3.22Å; Q702-S706 PolarHBondContact O-N 3.4Å
703	H	84.2	Confident	86.9	Confident	28 Å²	28	72.3 Å²	72.3	13%	0.13	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-53	179.1	173.7	-118.9	0	0	0	111.6	E699 Y700 F701 W705 S706 Y707 L829	E699-H703 WeakPolarHBondContact O-CB 3.28Å; E699-H703 PolarHBondContact O-N 2.98Å; Y700-H703 PolarHBondContact O-N 3.47Å; F701-H703 PolarHBondContact O-N 3.35Å; H703-W705 VanDerWaalsContact C-N 3.27Å; H703-W705 PolarHBondContact O-N 3.37Å; H703-S706 PolarHBondContact O-N 3.45Å; H703-S706 PolarHBondContact O-OG 3.02Å; H703-Y707 PolarHBondContact O-N 3.23Å; H703-L829 WeakPolarHBondContact NE2-CD1 3.32Å; H703-L829 WeakPolarHBondContact NE2-CD2 3.43Å; H703-L829 VanDerWaalsContact NE2-CG 3.34Å; H703-L829 WeakPolarHBondContact NE2-CG 3.32Å
704	A	84.5	Confident	86.7	Confident	22 Å²	22	73 Å²	73	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-38.9	178.7	0	0	0	0	0	111.9	Y700 T708	Y700-A704 HydrophobicContact CE1-CB 4.41Å; Y700-A704 WeakPolarHBondContact O-CB 3.3Å; Y700-A704 PolarHBondContact O-N 3Å; A704-T708 WeakPolarHBondContact O-CB 3.34Å; A704-T708 WeakPolarHBondContact O-CG2 3.39Å; A704-T708 PolarHBondContact O-N 2.95Å; A704-T708 PolarHBondContact O-OG1 2.86Å
705	W	88.6	Confident	86.5	Confident	43 Å²	43	71.1 Å²	71.1	16%	0.163	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-45.2	173	-171.3	-81.3	0	0	0	112.1	G669 R672 Y673 Q676 F701 Q702 H703 Y707 T708 N709	G669-W705 WeakPolarHBondContact O-CZ2 3.35Å; R672-W705 HydrophobicContact CB-CH2 4.04Å; R672-W705 HydrophobicContact CG-CH2 3.86Å; Y673-W705 HydrophobicContact CD2-CB 4.25Å; Y673-W705 AromaticContact CD2-CD1 3.66Å; Y673-W705 AromaticContact CD2-CD2 3.67Å; Y673-W705 HydrophobicContact CD2-CD2 3.67Å; Y673-W705 AromaticContact CD2-CE2 3.87Å; Y673-W705 HydrophobicContact CD2-CE3 4.28Å; Y673-W705 AromaticContact CD2-CG 3.58Å; Y673-W705 HydrophobicContact CD2-CG 3.58Å; Y673-W705 AromaticContact CD2-NE1 3.83Å; Y673-W705 HydrophobicContact CE2-CB 4.37Å; Y673-W705 HydrophobicContact CE2-CG 4.15Å; Y673-W705 HydrophobicContact CG-CD2 4.42Å; Q676-W705 HydrophobicContact CG-CZ3 4.41Å; F701-W705 HydrophobicContact CE1-CE3 4.36Å; F701-W705 AromaticContact CZ-CE3 3.78Å; F701-W705 HydrophobicContact CZ-CE3 3.78Å; F701-W705 HydrophobicContact CZ-CZ3 4.38Å; F701-W705 VanDerWaalsContact O-CB 3.26Å; F701-W705 WeakPolarHBondContact O-CB 3.35Å; F701-W705 PolarHBondContact O-N 3.28Å; Q702-W705 PolarHBondContact O-N 3.4Å; H703-W705 VanDerWaalsContact C-N 3.27Å; H703-W705 PolarHBondContact O-N 3.37Å; W705-Y707 PolarHBondContact O-N 2.97Å; W705-T708 PolarHBondContact O-N 3.01Å; W705-N709 WeakPolarHBondContact O-CA 3.25Å; W705-N709 PolarHBondContact O-N 2.94Å
706	S	86.9	Confident	86.5	Confident	78 Å²	78	69 Å²	69	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-31.4	179.4	74.6	0	0	0	0	113.3	Q702 H703	Q702-S706 WeakPolarHBondContact O-CB 3.22Å; Q702-S706 PolarHBondContact O-N 3.4Å; H703-S706 PolarHBondContact O-N 3.45Å; H703-S706 PolarHBondContact O-OG 3.02Å
707	Y	82.6	Confident	86.5	Confident	108 Å²	108	64.6 Å²	64.6	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-81.2	-44	177.3	-172.4	-86.9	0	0	0	112.8	H703 W705 H762	H703-Y707 PolarHBondContact O-N 3.23Å; W705-Y707 PolarHBondContact O-N 2.97Å; Y707-H762 AromaticContact CD1-CE1 3.56Å; Y707-H762 AromaticContact CD1-NE2 3.58Å; Y707-H762 AromaticContact CE1-CE1 3.16Å; Y707-H762 WeakPolarHBondContact CE1-CE1 3.42Å; Y707-H762 AromaticContact CE1-NE2 3.41Å; Y707-H762 WeakPolarHBondContact CE1-NE2 3.31Å; Y707-H762 AromaticContact CZ-CE1 3.49Å; Y707-H762 VanDerWaalsContact CZ-CE1 3.49Å
708	T	84.7	Confident	86.5	Confident	33 Å²	33	70 Å²	70	20%	0.202	36%	0.359	C	S	.	.	H	α-helix	trans	-89.2	-12.2	-175.3	60.7	0	0	0	0	114.3	A704 W705 G710 I711	A704-T708 WeakPolarHBondContact O-CB 3.34Å; A704-T708 WeakPolarHBondContact O-CG2 3.39Å; A704-T708 PolarHBondContact O-N 2.95Å; A704-T708 PolarHBondContact O-OG1 2.86Å; W705-T708 PolarHBondContact O-N 3.01Å; T708-G710 PolarHBondContact O-N 3.46Å; T708-G710 PolarHBondContact OG1-N 2.84Å; T708-I711 WeakPolarHBondContact O-CB 3.49Å; T708-I711 WeakPolarHBondContact O-CG1 3.04Å; T708-I711 PolarHBondContact O-N 3.42Å
709	N	84.8	Confident	86.5	Confident	119 Å²	119	72.4 Å²	72.4	64%	0.636	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	26.6	-164.7	-64.8	-81.1	0	0	0	113.6	W705 I711	W705-N709 WeakPolarHBondContact O-CA 3.25Å; W705-N709 PolarHBondContact O-N 2.94Å; N709-I711 VanDerWaalsContact C-N 3.31Å; N709-I711 PolarHBondContact O-N 2.92Å
710	G	82.3	Confident	86.7	Confident	7 Å²	7	72.2 Å²	72.2	7%	0.072	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	15.1	-176.3	0	0	0	0	0	114.9	R672 T708	R672-G710 PolarHBondContact NH1-O 3.37Å; R672-G710 PolarHBondContact NH2-O 2.89Å; R672-G710 VanDerWaalsContact NH2-O 3.13Å; T708-G710 PolarHBondContact O-N 3.46Å; T708-G710 PolarHBondContact OG1-N 2.84Å
711	I	87.3	Confident	87	Confident	86 Å²	86	71 Å²	71	44%	0.441	39%	0.391	S	S	.	.			trans	-88.3	121.4	178.6	-56.3	173.8	0	0	0	109.3	T708 N709 M713 V716	T708-I711 WeakPolarHBondContact O-CB 3.49Å; T708-I711 WeakPolarHBondContact O-CG1 3.04Å; T708-I711 PolarHBondContact O-N 3.42Å; N709-I711 VanDerWaalsContact C-N 3.31Å; N709-I711 PolarHBondContact O-N 2.92Å; I711-M713 PolarHBondContact O-N 2.96Å; I711-V716 HydrophobicContact CG2-CG2 3.6Å
712	D	84.4	Confident	86.9	Confident	75 Å²	75	76.5 Å²	76.5	40%	0.401	42%	0.417	S	S	.	.			trans	-78.9	111.5	168.2	171.7	27.2	0	0	0	109.6	N714 A715 V716	D712-N714 PolarHBondContact O-N 3.43Å; D712-N714 WeakPolarHBondContact OD1-CB 3.12Å; D712-N714 PolarHBondContact OD1-N 3.03Å; D712-N714 PolarHBondContact OD1-ND2 3.41Å; D712-A715 HydrophobicContact CB-CB 4.07Å; D712-A715 PolarHBondContact O-N 3.19Å; D712-A715 VanDerWaalsContact OD2-CB 3.23Å; D712-A715 WeakPolarHBondContact OD2-CB 3.49Å; D712-A715 PolarHBondContact OD2-N 2.91Å; D712-V716 WeakPolarHBondContact O-CG2 3.49Å; D712-V716 PolarHBondContact O-N 3.48Å; D712-V716 VanDerWaalsContact O-N 3.1Å
713	M	81.8	Confident	86.8	Confident	98 Å²	98	77.1 Å²	77.1	48%	0.483	43%	0.43	S	S	.	.	H	α-helix	trans	-59.2	-31.7	177.7	-60.2	-62	178.2	0	0	112.2	I711 V716 L717	I711-M713 PolarHBondContact O-N 2.96Å; M713-V716 PolarHBondContact O-N 2.81Å; M713-L717 WeakPolarHBondContact O-CB 3.29Å; M713-L717 VanDerWaalsContact O-CG 3.27Å; M713-L717 WeakPolarHBondContact O-CG 3.31Å; M713-L717 PolarHBondContact O-N 2.94Å
714	N	84.9	Confident	87.1	Confident	102 Å²	102	80 Å²	80	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-74.1	-43	-178.4	-55.7	-79.5	0	0	0	111.5	D712 V716 L717 K718	D712-N714 PolarHBondContact O-N 3.43Å; D712-N714 WeakPolarHBondContact OD1-CB 3.12Å; D712-N714 PolarHBondContact OD1-N 3.03Å; D712-N714 PolarHBondContact OD1-ND2 3.41Å; N714-V716 VanDerWaalsContact C-N 3.31Å; N714-V716 PolarHBondContact O-N 3.39Å; N714-L717 PolarHBondContact O-N 3.2Å; N714-K718 VanDerWaalsContact O-CG 3.3Å; N714-K718 WeakPolarHBondContact O-CG 3.33Å; N714-K718 PolarHBondContact O-N 3.47Å
715	A	87.6	Confident	87.4	Confident	58 Å²	58	80.7 Å²	80.7	48%	0.479	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-39.2	171	0	0	0	0	0	112.2	D712	D712-A715 HydrophobicContact CB-CB 4.07Å; D712-A715 PolarHBondContact O-N 3.19Å; D712-A715 VanDerWaalsContact OD2-CB 3.23Å; D712-A715 WeakPolarHBondContact OD2-CB 3.49Å; D712-A715 PolarHBondContact OD2-N 2.91Å
716	V	89.8	Confident	87.4	Confident	69 Å²	69	79.1 Å²	79.1	42%	0.418	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-47.6	175.4	171.3	0	0	0	0	111.5	I711 D712 M713 N714 K718 G719 F720	I711-V716 HydrophobicContact CG2-CG2 3.6Å; D712-V716 WeakPolarHBondContact O-CG2 3.49Å; D712-V716 PolarHBondContact O-N 3.48Å; D712-V716 VanDerWaalsContact O-N 3.1Å; M713-V716 PolarHBondContact O-N 2.81Å; N714-V716 VanDerWaalsContact C-N 3.31Å; N714-V716 PolarHBondContact O-N 3.39Å; V716-K718 VanDerWaalsContact C-N 3.33Å; V716-K718 PolarHBondContact O-N 2.96Å; V716-G719 PolarHBondContact O-N 3.16Å; V716-G719 VanDerWaalsContact O-N 3.07Å; V716-F720 HydrophobicContact CG1-CE2 3.98Å; V716-F720 VanDerWaalsContact O-CD2 3.27Å; V716-F720 WeakPolarHBondContact O-CD2 3.33Å; V716-F720 WeakPolarHBondContact O-CE2 3.33Å
717	L	88.4	Confident	87.6	Confident	30 Å²	30	78.5 Å²	78.5	16%	0.157	43%	0.433	C	S	.	.	H	α-helix	trans	-60.5	-40.4	179	-76.1	167.5	0	0	0	112.2	M713 N714 G719 F720 Q725 I728	M713-L717 WeakPolarHBondContact O-CB 3.29Å; M713-L717 VanDerWaalsContact O-CG 3.27Å; M713-L717 WeakPolarHBondContact O-CG 3.31Å; M713-L717 PolarHBondContact O-N 2.94Å; N714-L717 PolarHBondContact O-N 3.2Å; L717-G719 PolarHBondContact O-N 2.94Å; L717-G719 VanDerWaalsContact O-N 3.09Å; L717-F720 PolarHBondContact O-N 2.96Å; L717-Q725 HydrophobicContact CB-CG 4.45Å; L717-Q725 HydrophobicContact CD2-CB 4.36Å; L717-Q725 HydrophobicContact CD2-CG 4.41Å; L717-Q725 VanDerWaalsContact O-CG 3.24Å; L717-Q725 WeakPolarHBondContact O-CG 3.39Å; L717-Q725 PolarHBondContact O-NE2 2.96Å; L717-I728 HydrophobicContact CD2-CB 4.18Å; L717-I728 HydrophobicContact CD2-CD1 4.4Å; L717-I728 HydrophobicContact CD2-CG2 3.82Å
718	K	89.4	Confident	88	Confident	171 Å²	171	76.2 Å²	76.2	74%	0.743	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.8	174.9	-76.7	173.7	179.6	-178.8	0	114.3	N714 V716 F720	N714-K718 VanDerWaalsContact O-CG 3.3Å; N714-K718 WeakPolarHBondContact O-CG 3.33Å; N714-K718 PolarHBondContact O-N 3.47Å; V716-K718 VanDerWaalsContact C-N 3.33Å; V716-K718 PolarHBondContact O-N 2.96Å; K718-F720 VanDerWaalsContact C-N 3.27Å; K718-F720 PolarHBondContact O-N 2.86Å
719	G	90.1	Very high	88.2	Confident	67 Å²	67	75.1 Å²	75.1	69%	0.691	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-8	174.8	0	0	0	0	0	114.8	V716 L717	V716-G719 PolarHBondContact O-N 3.16Å; V716-G719 VanDerWaalsContact O-N 3.07Å; L717-G719 PolarHBondContact O-N 2.94Å; L717-G719 VanDerWaalsContact O-N 3.09Å
720	F	91.8	Very high	88.4	Confident	88 Å²	88	71.7 Å²	71.7	39%	0.386	40%	0.402	S	S	.	.	S	Bend	trans	-114.8	152.2	-177.6	-61.6	-75.2	0	0	0	112.1	V716 L717 K718 L724 Q725 I728	V716-F720 HydrophobicContact CG1-CE2 3.98Å; V716-F720 VanDerWaalsContact O-CD2 3.27Å; V716-F720 WeakPolarHBondContact O-CD2 3.33Å; V716-F720 WeakPolarHBondContact O-CE2 3.33Å; L717-F720 PolarHBondContact O-N 2.96Å; K718-F720 VanDerWaalsContact C-N 3.27Å; K718-F720 PolarHBondContact O-N 2.86Å; F720-L724 HydrophobicContact CB-CB 4.19Å; F720-L724 HydrophobicContact CD1-CD1 4.44Å; F720-Q725 HydrophobicContact CB-CG 4.11Å; F720-Q725 PolarHBondContact O-NE2 3.38Å; F720-I728 HydrophobicContact CD2-CD1 4.01Å; F720-I728 HydrophobicContact CE2-CD1 4.28Å; F720-I728 HydrophobicContact CG-CD1 4.3Å
721	P	92.7	Very high	88.7	Confident	83 Å²	83	76.4 Å²	76.4	54%	0.539	42%	0.422	S	S	.	.			trans	-65.7	152.3	170.2	29	-36	0	0	0	111.4	C723 L724 Q725	P721-C723 PolarHBondContact O-N 3.47Å; P721-C723 VanDerWaalsContact O-N 3.09Å; P721-L724 HydrophobicContact CG-CB 4.26Å; P721-L724 HydrophobicContact CG-CD1 3.98Å; P721-L724 HydrophobicContact CG-CG 4.12Å; P721-L724 PolarHBondContact O-N 2.73Å; P721-Q725 PolarHBondContact O-N 2.8Å
722	E	87.6	Confident	88.6	Confident	153 Å²	153	77 Å²	77	72%	0.715	43%	0.426	S	S	*	.	H	α-helix	trans	-53.1	-36.4	-173.3	-61.6	-169	151.2	0	0	114.2	L724 Q725 A726	E722-L724 VanDerWaalsContact C-N 3.32Å; E722-L724 PolarHBondContact O-N 2.85Å; E722-Q725 PolarHBondContact O-N 2.81Å; E722-A726 WeakPolarHBondContact O-CB 3.2Å; E722-A726 PolarHBondContact O-N 3.23Å
723	C	88.1	Confident	88.7	Confident	101 Å²	101	73.7 Å²	73.7	68%	0.682	41%	0.408	S	S	*	.	H	α-helix	trans	-60	-39.9	176	-65	0	0	0	0	112.8	P721 D727	P721-C723 PolarHBondContact O-N 3.47Å; P721-C723 VanDerWaalsContact O-N 3.09Å; C723-D727 PolarHBondContact O-N 2.97Å
724	L	91.1	Very high	88.8	Confident	89 Å²	89	75 Å²	75	47%	0.466	41%	0.408	S	S	.	.	H	α-helix	trans	-78.4	-36.9	176.1	-70.5	-178.9	0	0	0	111.5	F720 P721 E722 A726 D727 I728	F720-L724 HydrophobicContact CB-CB 4.19Å; F720-L724 HydrophobicContact CD1-CD1 4.44Å; P721-L724 HydrophobicContact CG-CB 4.26Å; P721-L724 HydrophobicContact CG-CD1 3.98Å; P721-L724 HydrophobicContact CG-CG 4.12Å; P721-L724 PolarHBondContact O-N 2.73Å; E722-L724 VanDerWaalsContact C-N 3.32Å; E722-L724 PolarHBondContact O-N 2.85Å; L724-A726 VanDerWaalsContact C-N 3.28Å; L724-A726 PolarHBondContact O-N 2.96Å; L724-D727 PolarHBondContact O-N 3.18Å; L724-I728 WeakPolarHBondContact O-CB 3.46Å; L724-I728 WeakPolarHBondContact O-CD1 3.41Å; L724-I728 WeakPolarHBondContact O-CG1 3.48Å; L724-I728 PolarHBondContact O-N 3.04Å
725	Q	90.9	Very high	88.6	Confident	36 Å²	36	72.3 Å²	72.3	17%	0.168	40%	0.397	C	S	.	.	H	α-helix	trans	-56.2	-46.1	171.2	-63.3	-175.8	37.4	0	0	110.7	L717 F720 P721 E722 D727 I728 C729 M756	L717-Q725 HydrophobicContact CB-CG 4.45Å; L717-Q725 HydrophobicContact CD2-CB 4.36Å; L717-Q725 HydrophobicContact CD2-CG 4.41Å; L717-Q725 VanDerWaalsContact O-CG 3.24Å; L717-Q725 WeakPolarHBondContact O-CG 3.39Å; L717-Q725 PolarHBondContact O-NE2 2.96Å; F720-Q725 HydrophobicContact CB-CG 4.11Å; F720-Q725 PolarHBondContact O-NE2 3.38Å; P721-Q725 PolarHBondContact O-N 2.8Å; E722-Q725 PolarHBondContact O-N 2.81Å; Q725-D727 PolarHBondContact O-N 3.01Å; Q725-I728 PolarHBondContact O-N 3.49Å; Q725-C729 WeakPolarHBondContact O-CB 2.94Å; Q725-C729 PolarHBondContact O-N 2.93Å; Q725-C729 PolarHBondContact O-SG 3.3Å; Q725-M756 VanDerWaalsContact C-SD 3.52Å; Q725-M756 HydrophobicContact CB-CE 3.71Å; Q725-M756 HydrophobicContact CB-SD 3.7Å
726	A	88.8	Confident	88.2	Confident	11 Å²	11	70 Å²	70	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-63.8	-38.4	-179.5	0	0	0	0	0	113.1	E722 L724 L730 R752 M756	E722-A726 WeakPolarHBondContact O-CB 3.2Å; E722-A726 PolarHBondContact O-N 3.23Å; L724-A726 VanDerWaalsContact C-N 3.28Å; L724-A726 PolarHBondContact O-N 2.96Å; A726-L730 WeakPolarHBondContact O-CB 3.26Å; A726-L730 PolarHBondContact O-N 3.37Å; A726-R752 HydrophobicContact CB-CB 4.08Å; A726-R752 HydrophobicContact CB-CG 4.14Å; A726-M756 VanDerWaalsContact CA-SD 3.56Å; A726-M756 HydrophobicContact CB-CG 3.82Å; A726-M756 HydrophobicContact CB-SD 4.13Å; A726-M756 PolarHBondContact N-SD 3.49Å; A726-M756 VanDerWaalsContact N-SD 3.44Å
727	D	90.3	Very high	87.9	Confident	64 Å²	64	67.1 Å²	67.1	34%	0.342	36%	0.358	S	S	.	.	H	α-helix	trans	-75.2	-31.8	175.6	-80.4	-20.1	0	0	0	113	C723 L724 Q725 H731 R752	C723-D727 PolarHBondContact O-N 2.97Å; L724-D727 PolarHBondContact O-N 3.18Å; Q725-D727 PolarHBondContact O-N 3.01Å; D727-H731 WeakPolarHBondContact O-CB 3.37Å; D727-H731 PolarHBondContact O-N 3.45Å; D727-R752 IonicContact OD1-CZ 3.32Å; D727-R752 IonicContact OD1-NE 3.24Å; D727-R752 PolarHBondContact OD1-NE 3.06Å; D727-R752 IonicContact OD1-NH2 2.69Å; D727-R752 PolarHBondContact OD1-NH2 3.27Å; D727-R752 IonicContact OD2-CZ 3.26Å; D727-R752 IonicContact OD2-NE 3.55Å; D727-R752 IonicContact OD2-NH2 2.81Å; D727-R752 PolarHBondContact OD2-NH2 2.79Å
728	I	91.3	Very high	87.5	Confident	60 Å²	60	71.6 Å²	71.6	31%	0.308	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-51.7	170.6	-68.7	162.4	0	0	0	110	L717 F720 L724 Q725 L730 H731 L732	L717-I728 HydrophobicContact CD2-CB 4.18Å; L717-I728 HydrophobicContact CD2-CD1 4.4Å; L717-I728 HydrophobicContact CD2-CG2 3.82Å; F720-I728 HydrophobicContact CD2-CD1 4.01Å; F720-I728 HydrophobicContact CE2-CD1 4.28Å; F720-I728 HydrophobicContact CG-CD1 4.3Å; L724-I728 WeakPolarHBondContact O-CB 3.46Å; L724-I728 WeakPolarHBondContact O-CD1 3.41Å; L724-I728 WeakPolarHBondContact O-CG1 3.48Å; L724-I728 PolarHBondContact O-N 3.04Å; Q725-I728 PolarHBondContact O-N 3.49Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.04Å; I728-H731 WeakPolarHBondContact O-CA 3.37Å; I728-H731 WeakPolarHBondContact O-CB 3.26Å; I728-H731 PolarHBondContact O-N 3.47Å; I728-L732 HydrophobicContact CG2-CD1 4.13Å; I728-L732 HydrophobicContact CG2-CG 4.47Å; I728-L732 WeakPolarHBondContact O-CG 3.5Å; I728-L732 PolarHBondContact O-N 2.88Å
729	C	88	Confident	86.9	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.074	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-37.5	178.2	-65.5	0	0	0	0	111.9	Q725 H731 L732 N733 A755 M756	Q725-C729 WeakPolarHBondContact O-CB 2.94Å; Q725-C729 PolarHBondContact O-N 2.93Å; Q725-C729 PolarHBondContact O-SG 3.3Å; C729-H731 VanDerWaalsContact C-N 3.3Å; C729-H731 PolarHBondContact O-N 2.73Å; C729-L732 PolarHBondContact O-N 3.48Å; C729-N733 WeakPolarHBondContact O-CB 3.33Å; C729-N733 VanDerWaalsContact O-CG 3.24Å; C729-N733 PolarHBondContact O-N 2.7Å; C729-N733 PolarHBondContact O-ND2 3.1Å; C729-A755 HydrophobicContact CB-CB 3.92Å; C729-A755 WeakPolarHBondContact CB-O 3.38Å; C729-M756 HydrophobicContact CB-SD 4.35Å
730	L	89.1	Confident	86.2	Confident	46 Å²	46	66.5 Å²	66.5	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-35.1	172.8	-179.5	62.8	0	0	0	111.9	A726 I728 R734 L737 L751 R752 A755	A726-L730 WeakPolarHBondContact O-CB 3.26Å; A726-L730 PolarHBondContact O-N 3.37Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.04Å; L730-R734 WeakPolarHBondContact O-CB 3.41Å; L730-R734 PolarHBondContact O-N 3.44Å; L730-L737 HydrophobicContact CD1-CD1 3.69Å; L730-L751 HydrophobicContact CD1-CB 4.11Å; L730-R752 HydrophobicContact CD2-CG 4.12Å; L730-A755 HydrophobicContact CB-CB 4.28Å
731	H	89.1	Confident	85.6	Confident	107 Å²	107	68.9 Å²	68.9	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-71.9	-41.6	174.2	-174.4	98.1	0	0	0	112.9	D727 I728 C729 R734	D727-H731 WeakPolarHBondContact O-CB 3.37Å; D727-H731 PolarHBondContact O-N 3.45Å; I728-H731 WeakPolarHBondContact O-CA 3.37Å; I728-H731 WeakPolarHBondContact O-CB 3.26Å; I728-H731 PolarHBondContact O-N 3.47Å; C729-H731 VanDerWaalsContact C-N 3.3Å; C729-H731 PolarHBondContact O-N 2.73Å; H731-R734 PolarHBondContact CE1-NH2 3.09Å; H731-R734 PolarHBondContact NE2-NE 3.37Å; H731-R734 PolarHBondContact NE2-NH2 3.17Å; H731-R734 VanDerWaalsContact NE2-NH2 3.12Å; H731-R734 WeakPolarHBondContact O-CD 3.44Å; H731-R734 WeakPolarHBondContact O-CG 3.4Å; H731-R734 PolarHBondContact O-NE 3.37Å
732	L	85.8	Confident	84.9	Confident	99 Å²	99	69.2 Å²	69.2	52%	0.518	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-50.6	176.8	-68.9	171.2	0	0	0	110.2	I728 C729 R734	I728-L732 HydrophobicContact CG2-CD1 4.13Å; I728-L732 HydrophobicContact CG2-CG 4.47Å; I728-L732 WeakPolarHBondContact O-CG 3.5Å; I728-L732 PolarHBondContact O-N 2.88Å; C729-L732 PolarHBondContact O-N 3.48Å; L732-R734 VanDerWaalsContact C-N 3.28Å; L732-R734 PolarHBondContact O-N 2.94Å
733	N	85.5	Confident	84.6	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	8.7	-169.7	-51.2	-14.8	0	0	0	112.5	C729 S735 L736 L737 A755 F758	C729-N733 WeakPolarHBondContact O-CB 3.33Å; C729-N733 VanDerWaalsContact O-CG 3.24Å; C729-N733 PolarHBondContact O-N 2.7Å; C729-N733 PolarHBondContact O-ND2 3.1Å; N733-S735 PolarHBondContact O-N 2.95Å; N733-L736 PolarHBondContact O-N 3.47Å; N733-L736 VanDerWaalsContact O-N 3.17Å; N733-L737 HydrophobicContact CB-CD1 4.13Å; N733-L737 HydrophobicContact CB-CG 4.5Å; N733-L737 WeakPolarHBondContact O-CG 3.5Å; N733-L737 PolarHBondContact O-N 2.98Å; N733-L737 VanDerWaalsContact O-N 3.1Å; N733-A755 PolarHBondContact ND2-O 2.98Å; N733-F758 VanDerWaalsContact ND2-CB 3.27Å; N733-F758 WeakPolarHBondContact ND2-CB 3.26Å
734	R	84.3	Confident	84.1	Confident	127 Å²	127	67 Å²	67	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-58.1	-31	-175.4	69.6	-171.4	159.2	129.3	-7.2	113.9	L730 H731 L732 Q738	L730-R734 WeakPolarHBondContact O-CB 3.41Å; L730-R734 PolarHBondContact O-N 3.44Å; H731-R734 PolarHBondContact CE1-NH2 3.09Å; H731-R734 PolarHBondContact NE2-NE 3.37Å; H731-R734 PolarHBondContact NE2-NH2 3.17Å; H731-R734 VanDerWaalsContact NE2-NH2 3.12Å; H731-R734 WeakPolarHBondContact O-CD 3.44Å; H731-R734 WeakPolarHBondContact O-CG 3.4Å; H731-R734 PolarHBondContact O-NE 3.37Å; L732-R734 VanDerWaalsContact C-N 3.28Å; L732-R734 PolarHBondContact O-N 2.94Å; R734-Q738 WeakPolarHBondContact O-CB 3.39Å; R734-Q738 VanDerWaalsContact O-CG 3.27Å; R734-Q738 WeakPolarHBondContact O-CG 3.18Å; R734-Q738 PolarHBondContact O-N 2.99Å; R734-Q738 VanDerWaalsContact O-N 3.13Å
735	S	80.3	Confident	83.6	Confident	45 Å²	45	66.6 Å²	66.6	32%	0.315	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-52.6	176.5	48.8	0	0	0	0	110.7	N733 H739	N733-S735 PolarHBondContact O-N 2.95Å; S735-H739 WeakPolarHBondContact O-CB 3.34Å; S735-H739 PolarHBondContact O-N 3.26Å; S735-H739 PolarHBondContact O-ND1 2.88Å
736	L	80.3	Confident	83.4	Confident	9 Å²	9	66.3 Å²	66.3	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-49.5	177.9	-61	-177.9	0	0	0	111.8	N733 Q738 H739 C740 F781 D833	N733-L736 PolarHBondContact O-N 3.47Å; N733-L736 VanDerWaalsContact O-N 3.17Å; L736-Q738 PolarHBondContact O-N 2.85Å; L736-H739 PolarHBondContact O-N 3.35Å; L736-C740 VanDerWaalsContact O-CB 3.28Å; L736-C740 WeakPolarHBondContact O-CB 3.46Å; L736-C740 PolarHBondContact O-N 3.48Å; L736-F781 HydrophobicContact CD1-CB 3.43Å; L736-F781 VanDerWaalsContact CD1-CB 3.43Å; L736-F781 HydrophobicContact CD1-CG 4.19Å; L736-F781 HydrophobicContact CD2-CB 3.95Å; L736-F781 HydrophobicContact CG-CB 4.29Å; L736-D833 HydrophobicContact CD1-CB 3.66Å; L736-D833 WeakPolarHBondContact CD1-OD2 3.39Å
737	L	82.6	Confident	83.5	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.047	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-22.2	-172	-65.8	173.4	0	0	0	113.9	L730 N733 F743 L751 A755 F758	L730-L737 HydrophobicContact CD1-CD1 3.69Å; N733-L737 HydrophobicContact CB-CD1 4.13Å; N733-L737 HydrophobicContact CB-CG 4.5Å; N733-L737 WeakPolarHBondContact O-CG 3.5Å; N733-L737 PolarHBondContact O-N 2.98Å; N733-L737 VanDerWaalsContact O-N 3.1Å; L737-F743 HydrophobicContact CD2-CB 4.4Å; L737-F743 HydrophobicContact CD2-CD1 4.38Å; L737-F743 HydrophobicContact CD2-CD2 3.84Å; L737-F743 HydrophobicContact CD2-CE2 4.2Å; L737-F743 HydrophobicContact CD2-CG 3.95Å; L737-F743 WeakPolarHBondContact O-CB 3.35Å; L737-L751 HydrophobicContact CB-CD2 4.41Å; L737-L751 HydrophobicContact CD2-CD2 4.04Å; L737-A755 HydrophobicContact CD1-CB 4.36Å; L737-F758 HydrophobicContact CD2-CE2 4.03Å
738	Q	81.3	Confident	83.2	Confident	124 Å²	124	75.7 Å²	75.7	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-95.6	-33.1	177.1	-65.9	176.8	-12.2	0	0	113.7	R734 L736 R744	R734-Q738 WeakPolarHBondContact O-CB 3.39Å; R734-Q738 VanDerWaalsContact O-CG 3.27Å; R734-Q738 WeakPolarHBondContact O-CG 3.18Å; R734-Q738 PolarHBondContact O-N 2.99Å; R734-Q738 VanDerWaalsContact O-N 3.13Å; L736-Q738 PolarHBondContact O-N 2.85Å; Q738-R744 PolarHBondContact O-NE 3.12Å
739	H	76.7	Confident	83	Confident	127 Å²	127	75.1 Å²	75.1	59%	0.588	40%	0.397	S	S	*	.	H	α-helix	trans	-89.8	-33.6	-175.1	-64.6	81.9	0	0	0	112.9	S735 L736 K741	S735-H739 WeakPolarHBondContact O-CB 3.34Å; S735-H739 PolarHBondContact O-N 3.26Å; S735-H739 PolarHBondContact O-ND1 2.88Å; L736-H739 PolarHBondContact O-N 3.35Å; H739-K741 PolarHBondContact O-N 3.34Å
740	C	74.9	Confident	83	Confident	4 Å²	4	76.7 Å²	76.7	3%	0.027	41%	0.407	C	S	.	.	S	Bend	trans	-72.6	123	179	-68.4	0	0	0	0	111.6	L736 P742 F743	L736-C740 VanDerWaalsContact O-CB 3.28Å; L736-C740 WeakPolarHBondContact O-CB 3.46Å; L736-C740 PolarHBondContact O-N 3.48Å; C740-P742 VanDerWaalsContact C-CD 3.45Å; C740-P742 HydrophobicContact CB-CG 4.44Å; C740-F743 HydrophobicContact CB-CD2 3.78Å; C740-F743 HydrophobicContact CB-CE2 4.1Å; C740-F743 PolarHBondContact O-N 3.05Å
741	K	78.3	Confident	82.9	Confident	137 Å²	137	75.9 Å²	75.9	60%	0.596	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-44.7	-48.6	177.5	-68.6	172.4	-179.2	163	0	115.1	H739 F743 R744 A805	H739-K741 PolarHBondContact O-N 3.34Å; K741-F743 PolarHBondContact O-N 3.22Å; K741-F743 VanDerWaalsContact O-N 3.15Å; K741-R744 PolarHBondContact O-N 3.16Å; K741-A805 WeakPolarHBondContact CD-O 3.45Å; K741-A805 WeakPolarHBondContact CE-O 3.41Å; K741-A805 HydrophobicContact CG-CB 4.31Å; K741-A805 PolarHBondContact NZ-O 3.27Å
742	P	78.8	Confident	82.9	Confident	90 Å²	90	75.7 Å²	75.7	58%	0.584	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.3	-174.2	22.7	-35.4	0	0	0	114.9	C740	C740-P742 VanDerWaalsContact C-CD 3.45Å; C740-P742 HydrophobicContact CB-CG 4.44Å
743	F	81.9	Confident	83	Confident	26 Å²	26	74 Å²	74	11%	0.114	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-90.8	-9.9	-176	-56.4	-50.4	0	0	0	114	L737 C740 K741 G745 A746 L751 L754 F758 F781	L737-F743 HydrophobicContact CD2-CB 4.4Å; L737-F743 HydrophobicContact CD2-CD1 4.38Å; L737-F743 HydrophobicContact CD2-CD2 3.84Å; L737-F743 HydrophobicContact CD2-CE2 4.2Å; L737-F743 HydrophobicContact CD2-CG 3.95Å; L737-F743 WeakPolarHBondContact O-CB 3.35Å; C740-F743 HydrophobicContact CB-CD2 3.78Å; C740-F743 HydrophobicContact CB-CE2 4.1Å; C740-F743 PolarHBondContact O-N 3.05Å; K741-F743 PolarHBondContact O-N 3.22Å; K741-F743 VanDerWaalsContact O-N 3.15Å; F743-G745 VanDerWaalsContact C-N 3.26Å; F743-G745 PolarHBondContact O-N 3.42Å; F743-A746 WeakPolarHBondContact O-CB 3.32Å; F743-A746 PolarHBondContact O-N 3.29Å; F743-A746 VanDerWaalsContact O-N 3.13Å; F743-L751 HydrophobicContact CB-CD2 4.08Å; F743-L754 HydrophobicContact CD1-CD1 4.13Å; F743-L754 HydrophobicContact CE1-CD1 3.99Å; F743-F758 HydrophobicContact CZ-CZ 4.16Å; F743-F781 HydrophobicContact CE2-CE1 4.04Å; F743-F781 HydrophobicContact CE2-CZ 4.03Å; F743-F781 HydrophobicContact CZ-CE1 4.27Å; F743-F781 HydrophobicContact CZ-CE2 4.47Å; F743-F781 AromaticContact CZ-CZ 3.82Å; F743-F781 HydrophobicContact CZ-CZ 3.82Å
744	R	77.8	Confident	83	Confident	183 Å²	183	75 Å²	75	69%	0.691	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.9	-175.5	-71.8	-172	170.8	-170.8	-1.8	115	Q738 K741	Q738-R744 PolarHBondContact O-NE 3.12Å; K741-R744 PolarHBondContact O-N 3.16Å
745	G	80.8	Confident	83.1	Confident	79 Å²	79	69 Å²	69	81%	0.814	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-2	175	0	0	0	0	0	114.8	F743	F743-G745 VanDerWaalsContact C-N 3.26Å; F743-G745 PolarHBondContact O-N 3.42Å
746	A	86.3	Confident	83.4	Confident	31 Å²	31	69.9 Å²	69.9	26%	0.256	38%	0.381	S	S	.	.			trans	-79	141.8	-171.9	0	0	0	0	0	112.6	F743 C750 L751	F743-A746 WeakPolarHBondContact O-CB 3.32Å; F743-A746 PolarHBondContact O-N 3.29Å; F743-A746 VanDerWaalsContact O-N 3.13Å; A746-C750 HydrophobicContact CB-CB 4.32Å; A746-L751 HydrophobicContact CB-CD2 3.85Å; A746-L751 HydrophobicContact CB-CG 3.94Å
747	T	89.4	Confident	83.6	Confident	100 Å²	100	75.9 Å²	75.9	61%	0.613	41%	0.407	S	S	*	.			trans	-65.8	153.1	174.4	66.8	0	0	0	0	111.2	G749 C750 L751	T747-G749 PolarHBondContact O-N 3.17Å; T747-G749 VanDerWaalsContact O-N 3.14Å; T747-C750 WeakPolarHBondContact O-CB 3.34Å; T747-C750 PolarHBondContact O-N 2.89Å; T747-C750 WeakPolarHBondContact OG1-CB 3.35Å; T747-C750 PolarHBondContact OG1-N 3.26Å; T747-L751 PolarHBondContact O-N 2.78Å
748	K	85.3	Confident	83.6	Confident	172 Å²	172	76.2 Å²	76.2	75%	0.748	41%	0.408	S	S	*	.	H	α-helix	trans	-56.8	-30.5	177.1	-67.7	-178	179.7	177.2	0	113.1	R752	K748-R752 WeakPolarHBondContact O-CB 3.39Å; K748-R752 WeakPolarHBondContact O-CG 3.34Å; K748-R752 PolarHBondContact O-N 3.42Å
749	G	86.7	Confident	83.5	Confident	47 Å²	47	75.6 Å²	75.6	49%	0.485	40%	0.403	S	S	.	.	H	α-helix	trans	-67.1	-46	172.7	0	0	0	0	0	112.7	T747 R752 A753	T747-G749 PolarHBondContact O-N 3.17Å; T747-G749 VanDerWaalsContact O-N 3.14Å; G749-R752 PolarHBondContact O-N 2.96Å; G749-A753 WeakPolarHBondContact O-CB 3.38Å; G749-A753 PolarHBondContact O-N 2.92Å
750	C	87.9	Confident	83.5	Confident	44 Å²	44	72.4 Å²	72.4	30%	0.297	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-45.6	174.5	-177.6	0	0	0	0	111.7	A746 T747 R752 A753 L754	A746-C750 HydrophobicContact CB-CB 4.32Å; T747-C750 WeakPolarHBondContact O-CB 3.34Å; T747-C750 PolarHBondContact O-N 2.89Å; T747-C750 WeakPolarHBondContact OG1-CB 3.35Å; T747-C750 PolarHBondContact OG1-N 3.26Å; C750-R752 PolarHBondContact O-N 3.41Å; C750-A753 PolarHBondContact O-N 3.08Å; C750-L754 WeakPolarHBondContact O-CB 3.49Å; C750-L754 WeakPolarHBondContact O-CG 3.21Å; C750-L754 PolarHBondContact O-N 3.5Å
751	L	87.9	Confident	83.5	Confident	29 Å²	29	75 Å²	75	15%	0.152	41%	0.409	C	S	.	.	H	α-helix	trans	-60.1	-41.6	177.1	-68	173	0	0	0	112.4	L730 L737 F743 A746 T747 A755	L730-L751 HydrophobicContact CD1-CB 4.11Å; L737-L751 HydrophobicContact CB-CD2 4.41Å; L737-L751 HydrophobicContact CD2-CD2 4.04Å; F743-L751 HydrophobicContact CB-CD2 4.08Å; A746-L751 HydrophobicContact CB-CD2 3.85Å; A746-L751 HydrophobicContact CB-CG 3.94Å; T747-L751 PolarHBondContact O-N 2.78Å; L751-A755 VanDerWaalsContact O-CB 3.23Å; L751-A755 WeakPolarHBondContact O-CB 3.31Å; L751-A755 PolarHBondContact O-N 3.32Å
752	R	88.1	Confident	83.3	Confident	104 Å²	104	70.3 Å²	70.3	39%	0.392	39%	0.389	S	S	.	.	H	α-helix	trans	-63.5	-45.5	173.3	-81.8	175	171.6	167.4	-8.2	112.4	A726 D727 L730 K748 G749 C750 L754 A755 M756	A726-R752 HydrophobicContact CB-CB 4.08Å; A726-R752 HydrophobicContact CB-CG 4.14Å; D727-R752 IonicContact OD1-CZ 3.32Å; D727-R752 IonicContact OD1-NE 3.24Å; D727-R752 PolarHBondContact OD1-NE 3.06Å; D727-R752 IonicContact OD1-NH2 2.69Å; D727-R752 PolarHBondContact OD1-NH2 3.27Å; D727-R752 IonicContact OD2-CZ 3.26Å; D727-R752 IonicContact OD2-NE 3.55Å; D727-R752 IonicContact OD2-NH2 2.81Å; D727-R752 PolarHBondContact OD2-NH2 2.79Å; L730-R752 HydrophobicContact CD2-CG 4.12Å; K748-R752 WeakPolarHBondContact O-CB 3.39Å; K748-R752 WeakPolarHBondContact O-CG 3.34Å; K748-R752 PolarHBondContact O-N 3.42Å; G749-R752 PolarHBondContact O-N 2.96Å; C750-R752 PolarHBondContact O-N 3.41Å; R752-L754 PolarHBondContact O-N 3.22Å; R752-A755 PolarHBondContact O-N 3.38Å; R752-M756 WeakPolarHBondContact O-CG 3.47Å; R752-M756 PolarHBondContact O-N 3.13Å; R752-M756 VanDerWaalsContact O-N 3.09Å
753	A	87.1	Confident	83.1	Confident	63 Å²	63	66.1 Å²	66.1	52%	0.521	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-39.7	179.1	0	0	0	0	0	112.4	G749 C750	G749-A753 WeakPolarHBondContact O-CB 3.38Å; G749-A753 PolarHBondContact O-N 2.92Å; C750-A753 PolarHBondContact O-N 3.08Å
754	L	86.5	Confident	82.9	Confident	25 Å²	25	65.5 Å²	65.5	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-45.1	172.9	-71.8	170.4	0	0	0	111.6	F743 C750 R752 M756 K757 F758 L835	F743-L754 HydrophobicContact CD1-CD1 4.13Å; F743-L754 HydrophobicContact CE1-CD1 3.99Å; C750-L754 WeakPolarHBondContact O-CB 3.49Å; C750-L754 WeakPolarHBondContact O-CG 3.21Å; C750-L754 PolarHBondContact O-N 3.5Å; R752-L754 PolarHBondContact O-N 3.22Å; L754-M756 PolarHBondContact O-N 3.01Å; L754-K757 PolarHBondContact O-N 3.16Å; L754-F758 HydrophobicContact CB-CE2 4.17Å; L754-F758 WeakPolarHBondContact O-CD2 3.31Å; L754-F758 PolarHBondContact O-N 2.85Å; L754-F758 VanDerWaalsContact O-N 3.15Å; L754-L835 HydrophobicContact CD2-CD1 4.27Å; L754-L835 HydrophobicContact CD2-CD2 3.99Å
755	A	87.1	Confident	83	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-54.9	-39.1	177.6	0	0	0	0	0	112.4	C729 L730 N733 L737 L751 R752 K757 F758	C729-A755 HydrophobicContact CB-CB 3.92Å; C729-A755 WeakPolarHBondContact CB-O 3.38Å; L730-A755 HydrophobicContact CB-CB 4.28Å; N733-A755 PolarHBondContact ND2-O 2.98Å; L737-A755 HydrophobicContact CD1-CB 4.36Å; L751-A755 VanDerWaalsContact O-CB 3.23Å; L751-A755 WeakPolarHBondContact O-CB 3.31Å; L751-A755 PolarHBondContact O-N 3.32Å; R752-A755 PolarHBondContact O-N 3.38Å; A755-K757 PolarHBondContact O-N 2.78Å; A755-F758 PolarHBondContact O-N 3.43Å
756	M	85.5	Confident	82.8	Confident	65 Å²	65	58.4 Å²	58.4	32%	0.32	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.8	175.8	-72.2	-64.7	-72	0	0	115.3	Q725 A726 C729 R752 L754	Q725-M756 VanDerWaalsContact C-SD 3.52Å; Q725-M756 HydrophobicContact CB-CE 3.71Å; Q725-M756 HydrophobicContact CB-SD 3.7Å; A726-M756 VanDerWaalsContact CA-SD 3.56Å; A726-M756 HydrophobicContact CB-CG 3.82Å; A726-M756 HydrophobicContact CB-SD 4.13Å; A726-M756 PolarHBondContact N-SD 3.49Å; A726-M756 VanDerWaalsContact N-SD 3.44Å; C729-M756 HydrophobicContact CB-SD 4.35Å; R752-M756 WeakPolarHBondContact O-CG 3.47Å; R752-M756 PolarHBondContact O-N 3.13Å; R752-M756 VanDerWaalsContact O-N 3.09Å; L754-M756 PolarHBondContact O-N 3.01Å
757	K	84.2	Confident	82.5	Confident	134 Å²	134	58.6 Å²	58.6	58%	0.583	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-10.2	176.2	-62.7	-58.8	-176.9	-171.6	0	113.5	L754 A755 L835	L754-K757 PolarHBondContact O-N 3.16Å; A755-K757 PolarHBondContact O-N 2.78Å; K757-L835 HydrophobicContact CB-CD1 3.76Å
758	F	82.9	Confident	82.1	Confident	16 Å²	16	55.9 Å²	55.9	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133	173.8	-85.3	-62.9	0	0	0	111.2	N733 L737 F743 L754 A755 F781 D833 C834 L835	N733-F758 VanDerWaalsContact ND2-CB 3.27Å; N733-F758 WeakPolarHBondContact ND2-CB 3.26Å; L737-F758 HydrophobicContact CD2-CE2 4.03Å; F743-F758 HydrophobicContact CZ-CZ 4.16Å; L754-F758 HydrophobicContact CB-CE2 4.17Å; L754-F758 WeakPolarHBondContact O-CD2 3.31Å; L754-F758 PolarHBondContact O-N 2.85Å; L754-F758 VanDerWaalsContact O-N 3.15Å; A755-F758 PolarHBondContact O-N 3.43Å; F758-F781 AromaticContact CE1-CD2 3.6Å; F758-F781 HydrophobicContact CE1-CD2 3.6Å; F758-F781 AromaticContact CE1-CE2 3.67Å; F758-F781 HydrophobicContact CE1-CE2 3.67Å; F758-F781 HydrophobicContact CZ-CD2 4.13Å; F758-F781 AromaticContact CZ-CE2 3.87Å; F758-F781 HydrophobicContact CZ-CE2 3.87Å; F758-D833 HydrophobicContact CB-CB 4.16Å; F758-D833 HydrophobicContact CD1-CB 3.59Å; F758-D833 HydrophobicContact CE1-CB 4.29Å; F758-D833 HydrophobicContact CG-CB 4.12Å; F758-C834 CarbonylContact C-O 3.54Å; F758-C834 WeakPolarHBondContact CA-O 3.49Å; F758-L835 HydrophobicContact CD1-CB 4.08Å; F758-L835 HydrophobicContact CD1-CD1 3.92Å; F758-L835 HydrophobicContact CD2-CD1 3.99Å; F758-L835 HydrophobicContact CE1-CB 3.77Å; F758-L835 HydrophobicContact CE1-CD1 3.94Å; F758-L835 HydrophobicContact CE1-CG 4.39Å; F758-L835 HydrophobicContact CE2-CD1 4Å; F758-L835 HydrophobicContact CG-CD1 3.95Å; F758-L835 HydrophobicContact CZ-CB 4.36Å; F758-L835 HydrophobicContact CZ-CD1 3.98Å
759	K	78.4	Confident	81.8	Confident	111 Å²	111	49.8 Å²	49.8	48%	0.483	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	110.8	174.9	-67.3	177.2	178.4	175.6	0	110.5	T761 D833 C834	K759-T761 PolarHBondContact O-N 3.39Å; K759-T761 PolarHBondContact O-OG1 3.36Å; K759-D833 WeakPolarHBondContact O-CA 3.24Å; K759-C834 PolarHBondContact N-O 3.43Å; K759-C834 PolarHBondContact O-N 2.96Å
760	T	77.2	Confident	81.6	Confident	61 Å²	61	47.8 Å²	47.8	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126	170.9	-44.1	0	0	0	0	109.8	T831 W832 D833	T760-T831 HydrophobicContact CG2-CG2 4.08Å; T760-W832 CarbonylContact C-O 3.59Å; T760-W832 WeakPolarHBondContact CA-O 3.32Å; T760-D833 WeakPolarHBondContact CA-OD1 3.28Å; T760-D833 WeakPolarHBondContact CB-OD1 3.23Å; T760-D833 PolarHBondContact N-OD1 3.08Å; T760-D833 PolarHBondContact OG1-OD1 3.13Å
761	T	74.7	Confident	81.3	Confident	58 Å²	58	49.9 Å²	49.9	36%	0.356	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.5	176.5	21.4	0	0	0	0	111.1	K759 W832	K759-T761 PolarHBondContact O-N 3.39Å; K759-T761 PolarHBondContact O-OG1 3.36Å; T761-W832 PolarHBondContact N-O 3.03Å; T761-W832 PolarHBondContact O-N 3.49Å; T761-W832 PolarHBondContact OG1-NE1 3.06Å
762	H	75.4	Confident	80.9	Confident	38 Å²	38	51.2 Å²	51.2	18%	0.176	28%	0.283	C	S	.	.			trans	-130.8	143.4	-169.8	-55.8	-79.3	0	0	0	109.9	Y707 W830 T831	Y707-H762 AromaticContact CD1-CE1 3.56Å; Y707-H762 AromaticContact CD1-NE2 3.58Å; Y707-H762 AromaticContact CE1-CE1 3.16Å; Y707-H762 WeakPolarHBondContact CE1-CE1 3.42Å; Y707-H762 AromaticContact CE1-NE2 3.41Å; Y707-H762 WeakPolarHBondContact CE1-NE2 3.31Å; Y707-H762 AromaticContact CZ-CE1 3.49Å; Y707-H762 VanDerWaalsContact CZ-CE1 3.49Å; H762-W830 PolarHBondContact ND1-O 2.86Å; H762-T831 WeakPolarHBondContact CE1-CG2 3.47Å
763	A	74.4	Confident	80.4	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.017	29%	0.291	C	S	.	.			trans	-122.8	155.3	160.1	0	0	0	0	0	110.7	D767 L769 W830 W832	A763-D767 HydrophobicContact CB-CB 4.09Å; A763-L769 HydrophobicContact CB-CD2 3.84Å; A763-W830 VanDerWaalsContact O-CD1 3.3Å; A763-W832 HydrophobicContact CB-CH2 3.66Å; A763-W832 HydrophobicContact CB-CZ3 3.88Å
764	P	76.1	Confident	79.9	Confident	14 Å²	14	49 Å²	49	9%	0.091	28%	0.283	C	S	.	.			trans	-77.3	171	158.9	36.3	-36.2	0	0	0	110.9	D767 S826 G828	P764-D767 WeakPolarHBondContact CD-OD2 3.37Å; P764-D767 HydrophobicContact CG-CB 4.27Å; P764-D767 VanDerWaalsContact CG-OD2 3.27Å; P764-D767 WeakPolarHBondContact CG-OD2 3.31Å; P764-S826 VanDerWaalsContact O-CB 3.24Å; P764-S826 WeakPolarHBondContact O-CB 3.45Å; P764-S826 PolarHBondContact O-OG 3.19Å; P764-G828 CarbonylContact C-O 3.55Å; P764-G828 VanDerWaalsContact C-O 3.22Å
765	P	80.6	Confident	79.5	Confident	84 Å²	84	52.4 Å²	52.4	55%	0.545	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	143.3	171.6	-22.2	33.2	0	0	0	112.2	D767 S826 G828	P765-D767 VanDerWaalsContact C-N 3.3Å; P765-D767 PolarHBondContact O-N 3.35Å; P765-S826 VanDerWaalsContact CA-OG 3.23Å; P765-S826 WeakPolarHBondContact CA-OG 3.43Å; P765-G828 WeakPolarHBondContact CA-O 3.26Å; P765-G828 WeakPolarHBondContact CD-O 3.32Å
766	G	77	Confident	78.9	Confident	29 Å²	29	57 Å²	57	30%	0.299	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-11.1	174.5	0	0	0	0	0	116.2	Q825 S826	G766-Q825 PolarHBondContact O-NE2 3.39Å; G766-S826 WeakPolarHBondContact CA-O 3.47Å; G766-S826 PolarHBondContact N-O 3.18Å
767	D	79.9	Confident	78.4	Confident	35 Å²	35	58.1 Å²	58.1	19%	0.187	34%	0.335	C	S	.	.			trans	-72.4	138	177.7	-97.4	-4.6	0	0	0	112.7	A763 P764 P765 Q825 S826	A763-D767 HydrophobicContact CB-CB 4.09Å; P764-D767 WeakPolarHBondContact CD-OD2 3.37Å; P764-D767 HydrophobicContact CG-CB 4.27Å; P764-D767 VanDerWaalsContact CG-OD2 3.27Å; P764-D767 WeakPolarHBondContact CG-OD2 3.31Å; P765-D767 VanDerWaalsContact C-N 3.3Å; P765-D767 PolarHBondContact O-N 3.35Å; D767-Q825 WeakPolarHBondContact O-CA 3.36Å; D767-S826 WeakPolarHBondContact O-CB 3.21Å; D767-S826 PolarHBondContact O-N 3.14Å
768	T	81.9	Confident	77.8	Confident	42 Å²	42	52.5 Å²	52.5	26%	0.258	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.7	177.2	46.6	0	0	0	0	110.5	H771 M824 Q825	T768-H771 PolarHBondContact OG1-CE1 2.81Å; T768-H771 PolarHBondContact OG1-NE2 3.08Å; T768-M824 CarbonylContact C-O 3.43Å; T768-M824 WeakPolarHBondContact CA-O 3.42Å; T768-Q825 HydrophobicContact CG2-CB 4.21Å; T768-Q825 HydrophobicContact CG2-CG 3.97Å
769	L	78	Confident	77.4	Confident	45 Å²	45	54.4 Å²	54.4	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-30.3	-173.3	-52.6	-175.2	0	0	0	113.6	A763 I787 M824 W832	A763-L769 HydrophobicContact CB-CD2 3.84Å; L769-I787 HydrophobicContact CD1-CD1 3.96Å; L769-M824 PolarHBondContact N-O 3.43Å; L769-W832 HydrophobicContact CD1-CD2 4.5Å; L769-W832 HydrophobicContact CD1-CE3 4.03Å; L769-W832 HydrophobicContact CD1-CH2 3.7Å; L769-W832 HydrophobicContact CD1-CZ2 4.15Å; L769-W832 HydrophobicContact CD1-CZ3 3.6Å; L769-W832 HydrophobicContact CD2-CH2 3.37Å; L769-W832 HydrophobicContact CD2-CZ2 4.01Å; L769-W832 HydrophobicContact CD2-CZ3 3.96Å; L769-W832 HydrophobicContact CG-CH2 4.19Å; L769-W832 HydrophobicContact CG-CZ3 4.45Å
770	V	82.1	Confident	77.3	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	132.4	-178.1	-177	0	0	0	0	106.6	D774 L776 Y780 N823 M824	V770-D774 HydrophobicContact CG1-CB 3.88Å; V770-L776 HydrophobicContact CG1-CD2 3.95Å; V770-L776 HydrophobicContact CG2-CD2 4.42Å; V770-Y780 HydrophobicContact CG2-CE2 4.16Å; V770-N823 CarbonylContact O-C 3.56Å; V770-N823 WeakPolarHBondContact O-CA 3.38Å; V770-M824 HydrophobicContact CB-CB 4.43Å; V770-M824 PolarHBondContact O-N 3.05Å
771	H	83	Confident	77.3	Confident	88 Å²	88	51.2 Å²	51.2	41%	0.407	30%	0.304	S	S	.	.			trans	-97.9	155	173.6	-63.4	-83.1	0	0	0	111.4	T768 G773 D774 S820 N823	T768-H771 PolarHBondContact OG1-CE1 2.81Å; T768-H771 PolarHBondContact OG1-NE2 3.08Å; H771-G773 PolarHBondContact O-N 3.41Å; H771-D774 IonicContact CD2-OD2 2.73Å; H771-D774 PolarHBondContact N-OD2 3.5Å; H771-D774 WeakPolarHBondContact O-CB 3.47Å; H771-D774 PolarHBondContact O-N 3.25Å; H771-S820 WeakPolarHBondContact O-CB 3.28Å; H771-N823 WeakPolarHBondContact CA-OD1 3.3Å
772	A	78.9	Confident	77.5	Confident	57 Å²	57	49.6 Å²	49.6	47%	0.471	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	122.9	167.3	0	0	0	0	0	110	S820 L822 N823	A772-S820 CarbonylContact C-O 3.44Å; A772-S820 WeakPolarHBondContact CA-O 3.2Å; A772-L822 PolarHBondContact N-O 3.46Å; A772-N823 PolarHBondContact N-OD1 2.95Å
773	G	77.1	Confident	77.3	Confident	53 Å²	53	48.5 Å²	48.5	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.3	-25.1	-169.7	0	0	0	0	0	114.1	H771 S820	H771-G773 PolarHBondContact O-N 3.41Å; G773-S820 PolarHBondContact N-O 3Å
774	D	77.5	Confident	77.3	Confident	68 Å²	68	56 Å²	56	36%	0.364	32%	0.317	S	S	.	.			trans	-70.6	144	-172.3	-72.8	-13.7	0	0	0	113.6	V770 H771 L776 A819 S820	V770-D774 HydrophobicContact CG1-CB 3.88Å; H771-D774 IonicContact CD2-OD2 2.73Å; H771-D774 PolarHBondContact N-OD2 3.5Å; H771-D774 WeakPolarHBondContact O-CB 3.47Å; H771-D774 PolarHBondContact O-N 3.25Å; D774-L776 PolarHBondContact O-N 3.22Å; D774-A819 CarbonylContact O-C 3.52Å; D774-A819 WeakPolarHBondContact O-CA 3.33Å; D774-S820 PolarHBondContact O-N 3.24Å
775	L	77.9	Confident	77.3	Confident	95 Å²	95	57.2 Å²	57.2	50%	0.497	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-75.2	119	173.5	-176.6	70.4	0	0	0	110.9	T777 R817	L775-T777 HydrophobicContact CB-CG2 4.5Å; L775-T777 HydrophobicContact CD2-CG2 3.87Å; L775-T777 HydrophobicContact CG-CG2 4.04Å; L775-T777 PolarHBondContact O-N 3.43Å; L775-R817 HydrophobicContact CD1-CB 4.11Å
776	L	73.7	Confident	77.2	Confident	97 Å²	97	55.5 Å²	55.5	51%	0.508	32%	0.322	S	S	.	.			trans	-71.2	87.4	176.3	-67.1	174.6	0	0	0	111.5	V770 D774	V770-L776 HydrophobicContact CG1-CD2 3.95Å; V770-L776 HydrophobicContact CG2-CD2 4.42Å; D774-L776 PolarHBondContact O-N 3.22Å
777	T	76.3	Confident	77.5	Confident	89 Å²	89	54.3 Å²	54.3	55%	0.546	31%	0.308	S	S	.	.			trans	-88.1	-5.4	179	56.9	0	0	0	0	114.4	L775	L775-T777 HydrophobicContact CB-CG2 4.5Å; L775-T777 HydrophobicContact CD2-CG2 3.87Å; L775-T777 HydrophobicContact CG-CG2 4.04Å; L775-T777 PolarHBondContact O-N 3.43Å
778	A	69.9	Low	77.7	Confident	16 Å²	16	54 Å²	54	13%	0.132	31%	0.306	C	S	.	.			trans	-138.8	149.3	-171	0	0	0	0	0	111.2	Y780 C834	A778-Y780 HydrophobicContact CB-CE1 4.15Å; A778-Y780 HydrophobicContact CB-CE2 3.99Å; A778-C834 WeakPolarHBondContact CB-SG 3.48Å
779	L	75.8	Confident	77.8	Confident	56 Å²	56	53.1 Å²	53.1	29%	0.293	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.4	168.9	-163.9	153	0	0	0	109.2	F781 L835 W839	L779-F781 HydrophobicContact CD2-CD2 3.89Å; L779-F781 HydrophobicContact CD2-CE1 4.19Å; L779-F781 HydrophobicContact CD2-CE2 3.3Å; L779-F781 HydrophobicContact CD2-CZ 3.48Å; L779-F781 VanDerWaalsContact CD2-CZ 3.48Å; L779-L835 PolarHBondContact O-N 2.83Å; L779-L835 VanDerWaalsContact O-N 3.13Å; L779-W839 HydrophobicContact CB-CZ2 4.17Å
780	Y	76.3	Confident	78	Confident	78 Å²	78	51.6 Å²	51.6	31%	0.306	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.8	-169.3	-57.4	-84.7	0	0	0	111.9	V770 A778 W832 C834	V770-Y780 HydrophobicContact CG2-CE2 4.16Å; A778-Y780 HydrophobicContact CB-CE1 4.15Å; A778-Y780 HydrophobicContact CB-CE2 3.99Å; Y780-W832 AromaticContact CD1-CD1 3.63Å; Y780-W832 HydrophobicContact CD1-CG 4.41Å; Y780-W832 AromaticContact CD1-NE1 3.61Å; Y780-W832 AromaticContact CE1-NE1 3.94Å; Y780-C834 HydrophobicContact CD1-CB 4.42Å
781	F	77.1	Confident	78.1	Confident	27 Å²	27	59.2 Å²	59.2	12%	0.118	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.4	175.9	-69	-91.1	0	0	0	112	L736 F743 F758 L779 S783 W832 D833	L736-F781 HydrophobicContact CD1-CB 3.43Å; L736-F781 VanDerWaalsContact CD1-CB 3.43Å; L736-F781 HydrophobicContact CD1-CG 4.19Å; L736-F781 HydrophobicContact CD2-CB 3.95Å; L736-F781 HydrophobicContact CG-CB 4.29Å; F743-F781 HydrophobicContact CE2-CE1 4.04Å; F743-F781 HydrophobicContact CE2-CZ 4.03Å; F743-F781 HydrophobicContact CZ-CE1 4.27Å; F743-F781 HydrophobicContact CZ-CE2 4.47Å; F743-F781 AromaticContact CZ-CZ 3.82Å; F743-F781 HydrophobicContact CZ-CZ 3.82Å; F758-F781 AromaticContact CE1-CD2 3.6Å; F758-F781 HydrophobicContact CE1-CD2 3.6Å; F758-F781 AromaticContact CE1-CE2 3.67Å; F758-F781 HydrophobicContact CE1-CE2 3.67Å; F758-F781 HydrophobicContact CZ-CD2 4.13Å; F758-F781 AromaticContact CZ-CE2 3.87Å; F758-F781 HydrophobicContact CZ-CE2 3.87Å; L779-F781 HydrophobicContact CD2-CD2 3.89Å; L779-F781 HydrophobicContact CD2-CE1 4.19Å; L779-F781 HydrophobicContact CD2-CE2 3.3Å; L779-F781 HydrophobicContact CD2-CZ 3.48Å; L779-F781 VanDerWaalsContact CD2-CZ 3.48Å; F781-S783 PolarHBondContact O-N 2.82Å; F781-W832 WeakPolarHBondContact O-CA 3.42Å; F781-W832 VanDerWaalsContact O-CB 3.24Å; F781-W832 WeakPolarHBondContact O-CB 3.27Å; F781-D833 PolarHBondContact N-O 2.89Å; F781-D833 VanDerWaalsContact N-O 3.1Å; F781-D833 PolarHBondContact O-N 2.93Å
782	I	78	Confident	77.9	Confident	24 Å²	24	58.1 Å²	58.1	12%	0.123	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	109.8	-179.1	-54.8	174.2	0	0	0	110.3	I787 L799 G802 W830	I782-I787 HydrophobicContact CD1-CB 3.98Å; I782-I787 HydrophobicContact CD1-CD1 3.71Å; I782-I787 HydrophobicContact CD1-CG1 3.83Å; I782-I787 HydrophobicContact CG1-CD1 3.81Å; I782-I787 HydrophobicContact CG1-CG1 4.34Å; I782-L799 HydrophobicContact CD1-CB 3.43Å; I782-L799 VanDerWaalsContact CD1-CB 3.43Å; I782-L799 HydrophobicContact CD1-CD1 3.99Å; I782-L799 HydrophobicContact CD1-CG 4.38Å; I782-L799 VanDerWaalsContact CD1-O 3.28Å; I782-L799 WeakPolarHBondContact CD1-O 3.29Å; I782-G802 PolarHBondContact O-N 2.85Å; I782-W830 HydrophobicContact CG2-CE3 4.38Å; I782-W830 HydrophobicContact CG2-CZ3 4.33Å
783	S	72.3	Confident	77.9	Confident	14 Å²	14	62.2 Å²	62.2	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-22.5	177.7	76.5	0	0	0	0	113.6	F781 M801 T831	F781-S783 PolarHBondContact O-N 2.82Å; S783-M801 WeakPolarHBondContact O-CE 3.31Å; S783-M801 WeakPolarHBondContact O-CG 3.5Å; S783-M801 VanDerWaalsContact O-SD 3.42Å; S783-T831 WeakPolarHBondContact CB-O 3.36Å; S783-T831 PolarHBondContact N-O 3.14Å; S783-T831 VanDerWaalsContact OG-CB 3.25Å; S783-T831 WeakPolarHBondContact OG-CB 3.13Å; S783-T831 PolarHBondContact OG-O 3.02Å; S783-T831 PolarHBondContact OG-OG1 3.35Å
784	R	73.2	Confident	78.3	Confident	161 Å²	161	64.3 Å²	64.3	61%	0.608	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.7	176.4	-67.6	-173.4	169.4	174.7	-3.3	111	W830	R784-W830 WeakPolarHBondContact O-CZ3 3.25Å
785	G	77.4	Confident	78.6	Confident	38 Å²	38	64.4 Å²	64.4	39%	0.392	35%	0.351	S	S	.	.	S	Bend	trans	92.1	-171.2	174.9	0	0	0	0	0	116.3	G800 M801	G785-G800 CarbonylContact O-C 3.46Å; G785-M801 PolarHBondContact O-N 3.2Å
786	S	78.8	Confident	78.9	Confident	48 Å²	48	64 Å²	64	34%	0.336	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	100.2	172.9	54.8	0	0	0	0	114.9	L799 L827 W830	S786-L799 CarbonylContact C-O 3.53Å; S786-L799 VanDerWaalsContact CA-O 3.24Å; S786-L799 WeakPolarHBondContact CA-O 3.46Å; S786-L827 WeakPolarHBondContact O-CB 3.45Å; S786-W830 WeakPolarHBondContact O-CH2 3.18Å
787	I	82.4	Confident	79.1	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.9	178.5	-65	-177.8	0	0	0	109.9	L769 I782 I798 L799 M824 Q825 W830 W832	L769-I787 HydrophobicContact CD1-CD1 3.96Å; I782-I787 HydrophobicContact CD1-CB 3.98Å; I782-I787 HydrophobicContact CD1-CD1 3.71Å; I782-I787 HydrophobicContact CD1-CG1 3.83Å; I782-I787 HydrophobicContact CG1-CD1 3.81Å; I782-I787 HydrophobicContact CG1-CG1 4.34Å; I787-I798 CarbonylContact O-C 3.58Å; I787-I798 WeakPolarHBondContact O-CA 3.43Å; I787-L799 HydrophobicContact CB-CB 4.26Å; I787-L799 HydrophobicContact CB-CD1 4.35Å; I787-L799 HydrophobicContact CG2-CD1 4.34Å; I787-L799 PolarHBondContact N-O 3.47Å; I787-L799 PolarHBondContact O-N 2.99Å; I787-M824 HydrophobicContact CG2-CE 3.96Å; I787-Q825 WeakPolarHBondContact CG2-O 3.25Å; I787-W830 HydrophobicContact CB-CZ3 4.43Å; I787-W830 HydrophobicContact CD1-CD2 4.47Å; I787-W830 HydrophobicContact CD1-CE3 4.07Å; I787-W830 HydrophobicContact CD1-CZ3 4.44Å; I787-W830 HydrophobicContact CG1-CD2 4Å; I787-W830 HydrophobicContact CG1-CE3 3.5Å; I787-W830 HydrophobicContact CG1-CH2 3.97Å; I787-W830 HydrophobicContact CG1-CZ2 4.35Å; I787-W830 HydrophobicContact CG1-CZ3 3.44Å; I787-W830 VanDerWaalsContact CG1-CZ3 3.44Å; I787-W832 HydrophobicContact CD1-CE3 4.34Å
788	E	83.3	Confident	79.3	Confident	29 Å²	29	61 Å²	61	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	152.9	172.2	66.5	-177.2	160.5	0	0	113	L790 V795 A797 I798 Q825 L827	E788-L790 HydrophobicContact CG-CD1 3.82Å; E788-V795 HydrophobicContact CB-CG1 4.4Å; E788-A797 CarbonylContact C-O 3.55Å; E788-A797 WeakPolarHBondContact CA-O 3.38Å; E788-I798 HydrophobicContact CB-CG1 4.49Å; E788-Q825 HydrophobicContact CG-CB 3.97Å; E788-Q825 WeakPolarHBondContact CG-O 3.44Å; E788-Q825 PolarHBondContact N-O 3.14Å; E788-Q825 PolarHBondContact O-N 3.04Å; E788-L827 HydrophobicContact CB-CD1 3.97Å; E788-L827 HydrophobicContact CB-CG 4.07Å; E788-L827 VanDerWaalsContact CD-CD2 3.46Å; E788-L827 HydrophobicContact CG-CD1 4.36Å; E788-L827 HydrophobicContact CG-CD2 4.15Å; E788-L827 HydrophobicContact CG-CG 3.92Å; E788-L827 WeakPolarHBondContact OE1-CD2 3.41Å
789	I	84.1	Confident	79.7	Confident	23 Å²	23	61.9 Å²	61.9	12%	0.118	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.2	174.8	-47.4	-174.1	0	0	0	108.3	V796 A797 L799 L822 N823 M824	I789-V796 PolarHBondContact O-N 3.5Å; I789-A797 HydrophobicContact CB-CB 4.38Å; I789-A797 HydrophobicContact CD1-CB 4.09Å; I789-A797 HydrophobicContact CG1-CB 4.26Å; I789-A797 PolarHBondContact N-O 3.46Å; I789-A797 PolarHBondContact O-N 3.27Å; I789-L799 HydrophobicContact CD1-CD1 3.86Å; I789-L799 HydrophobicContact CD1-CD2 3.95Å; I789-L799 HydrophobicContact CD1-CG 3.9Å; I789-L799 HydrophobicContact CG1-CD1 4.03Å; I789-L799 HydrophobicContact CG1-CG 4.05Å; I789-L822 HydrophobicContact CG2-CB 3.55Å; I789-L822 HydrophobicContact CG2-CD1 3.67Å; I789-L822 HydrophobicContact CG2-CG 4.09Å; I789-N823 CarbonylContact C-O 3.22Å; I789-N823 WeakPolarHBondContact CA-O 3.21Å; I789-N823 WeakPolarHBondContact CG2-O 3.4Å; I789-M824 HydrophobicContact CG1-CG 4.36Å; I789-M824 HydrophobicContact CG2-CG 4.47Å
790	L	82.4	Confident	79.5	Confident	14 Å²	14	60.4 Å²	60.4	7%	0.073	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.8	-179.3	-54.5	96.6	0	0	0	112.4	E788 V794 V795 N823 Q825	E788-L790 HydrophobicContact CG-CD1 3.82Å; L790-V794 CarbonylContact C-O 3.53Å; L790-V794 VanDerWaalsContact CA-O 3.29Å; L790-V794 WeakPolarHBondContact CA-O 3.39Å; L790-V795 HydrophobicContact CD2-CG2 4.19Å; L790-V795 HydrophobicContact CG-CG2 4.32Å; L790-N823 HydrophobicContact CB-CB 4.42Å; L790-N823 PolarHBondContact N-O 3.34Å; L790-N823 PolarHBondContact O-N 3.5Å; L790-Q825 HydrophobicContact CD1-CB 3.55Å
791	R	84.4	Confident	78.9	Confident	164 Å²	164	63.1 Å²	63.1	62%	0.619	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	103.4	170.7	-167.7	-179.1	-173.4	-172.1	-0.9	109.8	V794 V796 L822	R791-V794 PolarHBondContact N-O 3.04Å; R791-V794 PolarHBondContact O-N 3.21Å; R791-V796 HydrophobicContact CB-CG2 3.67Å; R791-L822 HydrophobicContact CB-CD2 3.64Å; R791-L822 HydrophobicContact CG-CD2 3.85Å
792	G	79.3	Confident	77.8	Confident	66 Å²	66	63.5 Å²	63.5	68%	0.68	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	54.1	-174.1	0	0	0	0	0	111.1	V794	G792-V794 PolarHBondContact O-N 3.38Å
793	D	79.2	Confident	76.3	Confident	142 Å²	142	68.5 Å²	68.5	76%	0.759	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	1.3	-178.7	-51.4	-22.2	0	0	0	116.8
794	V	85.5	Confident	75.2	Confident	98 Å²	98	70 Å²	70	59%	0.594	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.7	168.4	-176.3	0	0	0	0	110.2	L790 R791 G792 V796	L790-V794 CarbonylContact C-O 3.53Å; L790-V794 VanDerWaalsContact CA-O 3.29Å; L790-V794 WeakPolarHBondContact CA-O 3.39Å; R791-V794 PolarHBondContact N-O 3.04Å; R791-V794 PolarHBondContact O-N 3.21Å; G792-V794 PolarHBondContact O-N 3.38Å; V794-V796 PolarHBondContact O-N 2.93Å
795	V	83.6	Confident	73.5	Confident	69 Å²	69	63.6 Å²	63.6	42%	0.418	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.8	173.4	-178.9	0	0	0	0	110.1	E788 L790 I798	E788-V795 HydrophobicContact CB-CG1 4.4Å; L790-V795 HydrophobicContact CD2-CG2 4.19Å; L790-V795 HydrophobicContact CG-CG2 4.32Å; V795-I798 HydrophobicContact CG1-CD1 4.46Å; V795-I798 HydrophobicContact CG1-CG1 4.04Å
796	V	83.4	Confident	71.3	Confident	86 Å²	86	64 Å²	64	52%	0.521	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-35.5	-177.5	-177.9	0	0	0	0	112	I789 R791 V794 L822	I789-V796 PolarHBondContact O-N 3.5Å; R791-V796 HydrophobicContact CB-CG2 3.67Å; V794-V796 PolarHBondContact O-N 2.93Å; V796-L822 HydrophobicContact CG2-CD2 4.36Å
797	A	78	Confident	69.1	Low	30 Å²	30	66.3 Å²	66.3	25%	0.248	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.8	-179.7	0	0	0	0	0	112.2	E788 I789	E788-A797 CarbonylContact C-O 3.55Å; E788-A797 WeakPolarHBondContact CA-O 3.38Å; I789-A797 HydrophobicContact CB-CB 4.38Å; I789-A797 HydrophobicContact CD1-CB 4.09Å; I789-A797 HydrophobicContact CG1-CB 4.26Å; I789-A797 PolarHBondContact N-O 3.46Å; I789-A797 PolarHBondContact O-N 3.27Å
798	I	81.8	Confident	66.6	Low	93 Å²	93	70 Å²	70	48%	0.477	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102.4	175.3	-61.4	172.3	0	0	0	108.7	I787 E788 V795 G800 W803 L827	I787-I798 CarbonylContact O-C 3.58Å; I787-I798 WeakPolarHBondContact O-CA 3.43Å; E788-I798 HydrophobicContact CB-CG1 4.49Å; V795-I798 HydrophobicContact CG1-CD1 4.46Å; V795-I798 HydrophobicContact CG1-CG1 4.04Å; I798-G800 PolarHBondContact O-N 3.25Å; I798-W803 VanDerWaalsContact O-CZ3 3.23Å; I798-W803 WeakPolarHBondContact O-CZ3 3.48Å; I798-L827 HydrophobicContact CG2-CD1 4.35Å
799	L	78.4	Confident	64.3	Low	35 Å²	35	74.8 Å²	74.8	18%	0.183	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	92.3	-174.4	-55.9	171.4	0	0	0	113.2	I782 S786 I787 I789 W803 M824	I782-L799 HydrophobicContact CD1-CB 3.43Å; I782-L799 VanDerWaalsContact CD1-CB 3.43Å; I782-L799 HydrophobicContact CD1-CD1 3.99Å; I782-L799 HydrophobicContact CD1-CG 4.38Å; I782-L799 VanDerWaalsContact CD1-O 3.28Å; I782-L799 WeakPolarHBondContact CD1-O 3.29Å; S786-L799 CarbonylContact C-O 3.53Å; S786-L799 VanDerWaalsContact CA-O 3.24Å; S786-L799 WeakPolarHBondContact CA-O 3.46Å; I787-L799 HydrophobicContact CB-CB 4.26Å; I787-L799 HydrophobicContact CB-CD1 4.35Å; I787-L799 HydrophobicContact CG2-CD1 4.34Å; I787-L799 PolarHBondContact N-O 3.47Å; I787-L799 PolarHBondContact O-N 2.99Å; I789-L799 HydrophobicContact CD1-CD1 3.86Å; I789-L799 HydrophobicContact CD1-CD2 3.95Å; I789-L799 HydrophobicContact CD1-CG 3.9Å; I789-L799 HydrophobicContact CG1-CD1 4.03Å; I789-L799 HydrophobicContact CG1-CG 4.05Å; L799-W803 HydrophobicContact CB-CE3 4.12Å; L799-W803 HydrophobicContact CB-CZ3 4.49Å; L799-W803 HydrophobicContact CD2-CE3 3.46Å; L799-W803 VanDerWaalsContact CD2-CE3 3.46Å; L799-W803 HydrophobicContact CD2-CZ3 3.74Å; L799-W803 HydrophobicContact CG-CE3 4.32Å; L799-W803 HydrophobicContact CG-CZ3 4.49Å; L799-M824 HydrophobicContact CD1-CE 3.63Å
800	G	71.8	Confident	61.7	Low	26 Å²	26	82.3 Å²	82.3	27%	0.268	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	165.1	175.1	0	0	0	0	0	115.8	G785 I798 G802 W803	G785-G800 CarbonylContact O-C 3.46Å; I798-G800 PolarHBondContact O-N 3.25Å; G800-G802 PolarHBondContact O-N 3.48Å; G800-W803 PolarHBondContact O-N 2.95Å
801	M	62.7	Low	59.3	Low	134 Å²	134	87 Å²	87	66%	0.66	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	126.2	173.3	178.9	176	173	0	0	111.9	S783 G785	S783-M801 WeakPolarHBondContact O-CE 3.31Å; S783-M801 WeakPolarHBondContact O-CG 3.5Å; S783-M801 VanDerWaalsContact O-SD 3.42Å; G785-M801 PolarHBondContact O-N 3.2Å
802	G	54.2	Low	56.8	Low	35 Å²	35	83.6 Å²	83.6	36%	0.361	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	6.1	175.9	0	0	0	0	0	116.4	I782 G800 G804 A805	I782-G802 PolarHBondContact O-N 2.85Å; G800-G802 PolarHBondContact O-N 3.48Å; G802-G804 PolarHBondContact O-N 3.12Å; G802-A805 PolarHBondContact O-N 3Å
803	W	46.5	Very low	54.3	Low	130 Å²	130	85.3 Å²	85.3	49%	0.492	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-66.9	-10.6	-175.9	-131.3	8	0	0	0	115.5	I798 L799 G800 A805 G806	I798-W803 VanDerWaalsContact O-CZ3 3.23Å; I798-W803 WeakPolarHBondContact O-CZ3 3.48Å; L799-W803 HydrophobicContact CB-CE3 4.12Å; L799-W803 HydrophobicContact CB-CZ3 4.49Å; L799-W803 HydrophobicContact CD2-CE3 3.46Å; L799-W803 VanDerWaalsContact CD2-CE3 3.46Å; L799-W803 HydrophobicContact CD2-CZ3 3.74Å; L799-W803 HydrophobicContact CG-CE3 4.32Å; L799-W803 HydrophobicContact CG-CZ3 4.49Å; G800-W803 PolarHBondContact O-N 2.95Å; W803-A805 PolarHBondContact O-N 3.04Å; W803-G806 PolarHBondContact O-N 3.3Å
804	G	48.6	Very low	52.3	Low	46 Å²	46	82.8 Å²	82.8	47%	0.474	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-63.6	0.5	164.2	0	0	0	0	0	115.2	G802	G802-G804 PolarHBondContact O-N 3.12Å
805	A	37.1	Very low	49.8	Very low	26 Å²	26	82.9 Å²	82.9	22%	0.215	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-112.6	-2.9	171.7	0	0	0	0	0	113.9	K741 G802 W803	K741-A805 WeakPolarHBondContact CD-O 3.45Å; K741-A805 WeakPolarHBondContact CE-O 3.41Å; K741-A805 HydrophobicContact CG-CB 4.31Å; K741-A805 PolarHBondContact NZ-O 3.27Å; G802-A805 PolarHBondContact O-N 3Å; W803-A805 PolarHBondContact O-N 3.04Å
806	G	32.1	Very low	47.4	Very low	47 Å²	47	83.7 Å²	83.7	49%	0.485	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-64.4	-171.3	0	0	0	0	0	113.6	W803	W803-G806 PolarHBondContact O-N 3.3Å
807	T	32	Very low	45.2	Very low	96 Å²	96	89.6 Å²	89.6	59%	0.589	55%	0.554	S	S	*	*	S	Bend	trans	-89.6	146.6	179.3	45.4	0	0	0	0	111.4	L809	T807-L809 PolarHBondContact O-N 3.41Å; T807-L809 VanDerWaalsContact O-N 3.07Å
808	G	30.9	Very low	43.6	Very low	81 Å²	81	90.2 Å²	90.2	84%	0.835	56%	0.563	S	S	*	*			trans	-76	90.6	171.5	0	0	0	0	0	110.5	E810	G808-E810 VanDerWaalsContact C-N 3.33Å; G808-E810 PolarHBondContact O-N 3.02Å; G808-E810 VanDerWaalsContact O-N 3.16Å
809	L	33.5	Very low	41.8	Very low	129 Å²	129	88.5 Å²	88.5	68%	0.675	56%	0.563	S	S	*	*			trans	-70.6	99.3	151.9	-86.8	81	0	0	0	107.1	T807 M811	T807-L809 PolarHBondContact O-N 3.41Å; T807-L809 VanDerWaalsContact O-N 3.07Å; L809-M811 PolarHBondContact O-N 3.4Å
810	E	30.7	Very low	40.6	Very low	181 Å²	181	87.5 Å²	87.5	85%	0.846	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-55.7	126.1	150.3	-65.6	177.8	153.7	0	0	106.6	G808 P812	G808-E810 VanDerWaalsContact C-N 3.33Å; G808-E810 PolarHBondContact O-N 3.02Å; G808-E810 VanDerWaalsContact O-N 3.16Å; E810-P812 WeakPolarHBondContact O-CD 3.35Å
811	M	30.9	Very low	39.5	Very low	113 Å²	113	92.5 Å²	92.5	56%	0.557	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.1	175	-70.9	-133.2	-69.2	0	0	107.5	L809 S813 W839	L809-M811 PolarHBondContact O-N 3.4Å; M811-S813 VanDerWaalsContact O-N 3.08Å; M811-S813 PolarHBondContact O-N 3.08Å; M811-W839 HydrophobicContact CE-CE3 4.3Å; M811-W839 HydrophobicContact CE-CZ3 4.1Å; M811-W839 HydrophobicContact SD-CE3 4.3Å; M811-W839 HydrophobicContact SD-CH2 4.47Å; M811-W839 HydrophobicContact SD-CZ3 3.82Å
812	P	31.8	Very low	39.1	Very low	92 Å²	92	88.5 Å²	88.5	60%	0.597	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-62.3	118.3	-169.8	22.8	-32.9	0	0	0	110.1	E810 A814	E810-P812 WeakPolarHBondContact O-CD 3.35Å; P812-A814 PolarHBondContact O-N 2.79Å; P812-A814 VanDerWaalsContact O-N 3.15Å
813	S	28.4	Very low	39.2	Very low	103 Å²	103	88.8 Å²	88.8	72%	0.72	55%	0.553	S	S	*	*			trans	-63.9	114.3	177	54.3	0	0	0	0	109.7	M811	M811-S813 VanDerWaalsContact O-N 3.08Å; M811-S813 PolarHBondContact O-N 3.08Å
814	A	35.9	Very low	40	Very low	89 Å²	89	84.1 Å²	84.1	74%	0.736	54%	0.537	S	S	*	.	S	Bend	trans	46.4	111	168.8	0	0	0	0	0	117.7	P812 S816	P812-A814 PolarHBondContact O-N 2.79Å; P812-A814 VanDerWaalsContact O-N 3.15Å; A814-S816 PolarHBondContact O-N 2.71Å
815	A	33.3	Very low	40.8	Very low	99 Å²	99	84.2 Å²	84.2	82%	0.818	53%	0.525	S	S	*	.			trans	73.4	20.3	153.2	0	0	0	0	0	120	R817	A815-R817 VanDerWaalsContact C-N 3.29Å; A815-R817 PolarHBondContact O-N 2.87Å
816	S	33.8	Very low	42.3	Very low	87 Å²	87	83.1 Å²	83.1	61%	0.608	52%	0.516	S	S	*	.			trans	-74.2	76.7	161.7	66.4	0	0	0	0	112.1	A814 G818	A814-S816 PolarHBondContact O-N 2.71Å; S816-G818 PolarHBondContact O-N 2.89Å
817	R	37.3	Very low	43	Very low	210 Å²	210	84.7 Å²	84.7	79%	0.792	51%	0.513	S	S	*	.			trans	-73.2	65.8	169.1	-72.4	-170.1	-175.6	-178.6	3.4	110.9	L775 A815	L775-R817 HydrophobicContact CD1-CB 4.11Å; A815-R817 VanDerWaalsContact C-N 3.29Å; A815-R817 PolarHBondContact O-N 2.87Å
818	G	43.2	Very low	43.7	Very low	42 Å²	42	81 Å²	81	43%	0.433	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-71.1	134.9	176.8	0	0	0	0	0	112.1	S816	S816-G818 PolarHBondContact O-N 2.89Å
819	A	44.4	Very low	44.2	Very low	57 Å²	57	82.1 Å²	82.1	47%	0.471	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-70	146.4	160.3	0	0	0	0	0	109.7	D774	D774-A819 CarbonylContact O-C 3.52Å; D774-A819 WeakPolarHBondContact O-CA 3.33Å
820	S	53	Low	45.2	Very low	14 Å²	14	76.5 Å²	76.5	10%	0.098	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-63.3	136.2	173.4	-173.2	0	0	0	0	110.3	H771 A772 G773 D774 L822	H771-S820 WeakPolarHBondContact O-CB 3.28Å; A772-S820 CarbonylContact C-O 3.44Å; A772-S820 WeakPolarHBondContact CA-O 3.2Å; G773-S820 PolarHBondContact N-O 3Å; D774-S820 PolarHBondContact O-N 3.24Å; S820-L822 PolarHBondContact OG-N 2.91Å; S820-L822 PolarHBondContact OG-O 3.26Å
821	L	48.8	Very low	45.9	Very low	132 Å²	132	68.5 Å²	68.5	69%	0.691	41%	0.413	S	S	*	.	S	Bend	trans	-96.7	2.8	175.1	-63.6	175.8	0	0	0	112.7
822	L	55.4	Low	47	Very low	50 Å²	50	63.8 Å²	63.8	26%	0.262	39%	0.389	S	S	.	.	S	Bend	trans	-145.3	149.9	-165.3	-57.1	171.2	0	0	0	110.5	A772 I789 R791 V796 S820	A772-L822 PolarHBondContact N-O 3.46Å; I789-L822 HydrophobicContact CG2-CB 3.55Å; I789-L822 HydrophobicContact CG2-CD1 3.67Å; I789-L822 HydrophobicContact CG2-CG 4.09Å; R791-L822 HydrophobicContact CB-CD2 3.64Å; R791-L822 HydrophobicContact CG-CD2 3.85Å; V796-L822 HydrophobicContact CG2-CD2 4.36Å; S820-L822 PolarHBondContact OG-N 2.91Å; S820-L822 PolarHBondContact OG-O 3.26Å
823	N	55.3	Low	47.8	Very low	40 Å²	40	59.6 Å²	59.6	21%	0.214	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.1	167.4	-66.5	-18.5	0	0	0	109.1	V770 H771 A772 I789 L790	V770-N823 CarbonylContact O-C 3.56Å; V770-N823 WeakPolarHBondContact O-CA 3.38Å; H771-N823 WeakPolarHBondContact CA-OD1 3.3Å; A772-N823 PolarHBondContact N-OD1 2.95Å; I789-N823 CarbonylContact C-O 3.22Å; I789-N823 WeakPolarHBondContact CA-O 3.21Å; I789-N823 WeakPolarHBondContact CG2-O 3.4Å; L790-N823 HydrophobicContact CB-CB 4.42Å; L790-N823 PolarHBondContact N-O 3.34Å; L790-N823 PolarHBondContact O-N 3.5Å
824	M	64.1	Low	48.8	Very low	33 Å²	33	55.2 Å²	55.2	16%	0.163	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.9	169.1	-71.3	-175.1	60.9	0	0	110.1	T768 L769 V770 I787 I789 L799	T768-M824 CarbonylContact C-O 3.43Å; T768-M824 WeakPolarHBondContact CA-O 3.42Å; L769-M824 PolarHBondContact N-O 3.43Å; V770-M824 HydrophobicContact CB-CB 4.43Å; V770-M824 PolarHBondContact O-N 3.05Å; I787-M824 HydrophobicContact CG2-CE 3.96Å; I789-M824 HydrophobicContact CG1-CG 4.36Å; I789-M824 HydrophobicContact CG2-CG 4.47Å; L799-M824 HydrophobicContact CD1-CE 3.63Å
825	Q	64.6	Low	49.4	Very low	47 Å²	47	51.9 Å²	51.9	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.5	-173.7	-165.6	168.6	2.3	0	0	112.8	G766 D767 T768 I787 E788 L790	G766-Q825 PolarHBondContact O-NE2 3.39Å; D767-Q825 WeakPolarHBondContact O-CA 3.36Å; T768-Q825 HydrophobicContact CG2-CB 4.21Å; T768-Q825 HydrophobicContact CG2-CG 3.97Å; I787-Q825 WeakPolarHBondContact CG2-O 3.25Å; E788-Q825 HydrophobicContact CG-CB 3.97Å; E788-Q825 WeakPolarHBondContact CG-O 3.44Å; E788-Q825 PolarHBondContact N-O 3.14Å; E788-Q825 PolarHBondContact O-N 3.04Å; L790-Q825 HydrophobicContact CD1-CB 3.55Å
826	S	68.1	Low	49.7	Very low	3 Å²	3	51.7 Å²	51.7	2%	0.021	28%	0.283	C	S	.	.			trans	-80.8	127.7	-179.8	159	0	0	0	0	112.9	P764 P765 G766 D767 G828 W830	P764-S826 VanDerWaalsContact O-CB 3.24Å; P764-S826 WeakPolarHBondContact O-CB 3.45Å; P764-S826 PolarHBondContact O-OG 3.19Å; P765-S826 VanDerWaalsContact CA-OG 3.23Å; P765-S826 WeakPolarHBondContact CA-OG 3.43Å; G766-S826 WeakPolarHBondContact CA-O 3.47Å; G766-S826 PolarHBondContact N-O 3.18Å; D767-S826 WeakPolarHBondContact O-CB 3.21Å; D767-S826 PolarHBondContact O-N 3.14Å; S826-G828 PolarHBondContact OG-N 2.55Å; S826-G828 PolarHBondContact OG-O 2.69Å; S826-W830 VanDerWaalsContact CB-NE1 3.31Å; S826-W830 PolarHBondContact OG-NE1 3.27Å
827	L	47.4	Very low	49.7	Very low	81 Å²	81	50 Å²	50	42%	0.424	28%	0.278	S	S	.	.	S	Bend	trans	-95.2	11.2	168.7	-71.8	176.3	0	0	0	114.3	S786 E788 I798 W830	S786-L827 WeakPolarHBondContact O-CB 3.45Å; E788-L827 HydrophobicContact CB-CD1 3.97Å; E788-L827 HydrophobicContact CB-CG 4.07Å; E788-L827 VanDerWaalsContact CD-CD2 3.46Å; E788-L827 HydrophobicContact CG-CD1 4.36Å; E788-L827 HydrophobicContact CG-CD2 4.15Å; E788-L827 HydrophobicContact CG-CG 3.92Å; E788-L827 WeakPolarHBondContact OE1-CD2 3.41Å; I798-L827 HydrophobicContact CG2-CD1 4.35Å; L827-W830 HydrophobicContact CB-CZ2 4.43Å
828	G	47	Very low	49.5	Very low	17 Å²	17	48.4 Å²	48.4	18%	0.175	28%	0.28	C	S	.	.	S	Bend	trans	173.9	-150.4	-159.5	0	0	0	0	0	116.3	P764 P765 S826 W830	P764-G828 CarbonylContact C-O 3.55Å; P764-G828 VanDerWaalsContact C-O 3.22Å; P765-G828 WeakPolarHBondContact CA-O 3.26Å; P765-G828 WeakPolarHBondContact CD-O 3.32Å; S826-G828 PolarHBondContact OG-N 2.55Å; S826-G828 PolarHBondContact OG-O 2.69Å; G828-W830 VanDerWaalsContact C-NE1 3.3Å; G828-W830 PolarHBondContact O-NE1 3.32Å
829	L	40.4	Very low	49.1	Very low	106 Å²	106	51.4 Å²	51.4	56%	0.555	28%	0.278	S	S	*	.			trans	-109	125.7	-178.3	-127.5	74.6	0	0	0	110.6	H703	H703-L829 WeakPolarHBondContact NE2-CD1 3.32Å; H703-L829 WeakPolarHBondContact NE2-CD2 3.43Å; H703-L829 VanDerWaalsContact NE2-CG 3.34Å; H703-L829 WeakPolarHBondContact NE2-CG 3.32Å
830	W	55	Low	48.4	Very low	10 Å²	10	52.6 Å²	52.6	4%	0.038	29%	0.288	C	S	.	.			trans	-114.9	151.2	-167.7	-51.8	92.4	0	0	0	115.3	H762 A763 I782 R784 S786 I787 S826 L827 G828 W832	H762-W830 PolarHBondContact ND1-O 2.86Å; A763-W830 VanDerWaalsContact O-CD1 3.3Å; I782-W830 HydrophobicContact CG2-CE3 4.38Å; I782-W830 HydrophobicContact CG2-CZ3 4.33Å; R784-W830 WeakPolarHBondContact O-CZ3 3.25Å; S786-W830 WeakPolarHBondContact O-CH2 3.18Å; I787-W830 HydrophobicContact CB-CZ3 4.43Å; I787-W830 HydrophobicContact CD1-CD2 4.47Å; I787-W830 HydrophobicContact CD1-CE3 4.07Å; I787-W830 HydrophobicContact CD1-CZ3 4.44Å; I787-W830 HydrophobicContact CG1-CD2 4Å; I787-W830 HydrophobicContact CG1-CE3 3.5Å; I787-W830 HydrophobicContact CG1-CH2 3.97Å; I787-W830 HydrophobicContact CG1-CZ2 4.35Å; I787-W830 HydrophobicContact CG1-CZ3 3.44Å; I787-W830 VanDerWaalsContact CG1-CZ3 3.44Å; S826-W830 VanDerWaalsContact CB-NE1 3.31Å; S826-W830 PolarHBondContact OG-NE1 3.27Å; L827-W830 HydrophobicContact CB-CZ2 4.43Å; G828-W830 VanDerWaalsContact C-NE1 3.3Å; G828-W830 PolarHBondContact O-NE1 3.32Å; W830-W832 HydrophobicContact CG-CZ3 3.68Å; W830-W832 AromaticContact CG-CZ3 3.68Å; W830-W832 VanDerWaalsContact CB-CZ3 3.45Å; W830-W832 HydrophobicContact CG-CE3 3.98Å; W830-W832 AromaticContact CD1-CZ3 4Å; W830-W832 HydrophobicContact CB-CZ3 3.45Å; W830-W832 HydrophobicContact CB-CE3 3.53Å; W830-W832 AromaticContact CG-CE3 3.98Å
831	T	45.3	Very low	47.2	Very low	13 Å²	13	56.8 Å²	56.8	8%	0.08	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.8	149.2	37.1	0	0	0	0	107.5	T760 H762 S783	T760-T831 HydrophobicContact CG2-CG2 4.08Å; H762-T831 WeakPolarHBondContact CE1-CG2 3.47Å; S783-T831 WeakPolarHBondContact CB-O 3.36Å; S783-T831 PolarHBondContact N-O 3.14Å; S783-T831 VanDerWaalsContact OG-CB 3.25Å; S783-T831 WeakPolarHBondContact OG-CB 3.13Å; S783-T831 PolarHBondContact OG-O 3.02Å; S783-T831 PolarHBondContact OG-OG1 3.35Å
832	W	54.2	Low	46.3	Very low	15 Å²	15	54.6 Å²	54.6	6%	0.057	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.2	164.6	67.9	73.1	0	0	0	109.9	T760 T761 A763 L769 Y780 F781 I787 W830	T760-W832 CarbonylContact C-O 3.59Å; T760-W832 WeakPolarHBondContact CA-O 3.32Å; T761-W832 PolarHBondContact N-O 3.03Å; T761-W832 PolarHBondContact O-N 3.49Å; T761-W832 PolarHBondContact OG1-NE1 3.06Å; A763-W832 HydrophobicContact CB-CH2 3.66Å; A763-W832 HydrophobicContact CB-CZ3 3.88Å; L769-W832 HydrophobicContact CD1-CD2 4.5Å; L769-W832 HydrophobicContact CD1-CE3 4.03Å; L769-W832 HydrophobicContact CD1-CH2 3.7Å; L769-W832 HydrophobicContact CD1-CZ2 4.15Å; L769-W832 HydrophobicContact CD1-CZ3 3.6Å; L769-W832 HydrophobicContact CD2-CH2 3.37Å; L769-W832 HydrophobicContact CD2-CZ2 4.01Å; L769-W832 HydrophobicContact CD2-CZ3 3.96Å; L769-W832 HydrophobicContact CG-CH2 4.19Å; L769-W832 HydrophobicContact CG-CZ3 4.45Å; Y780-W832 AromaticContact CD1-CD1 3.63Å; Y780-W832 HydrophobicContact CD1-CG 4.41Å; Y780-W832 AromaticContact CD1-NE1 3.61Å; Y780-W832 AromaticContact CE1-NE1 3.94Å; F781-W832 WeakPolarHBondContact O-CA 3.42Å; F781-W832 VanDerWaalsContact O-CB 3.24Å; F781-W832 WeakPolarHBondContact O-CB 3.27Å; I787-W832 HydrophobicContact CD1-CE3 4.34Å; W830-W832 HydrophobicContact CG-CZ3 3.68Å; W830-W832 AromaticContact CG-CZ3 3.68Å; W830-W832 VanDerWaalsContact CB-CZ3 3.45Å; W830-W832 HydrophobicContact CG-CE3 3.98Å; W830-W832 AromaticContact CD1-CZ3 4Å; W830-W832 HydrophobicContact CB-CZ3 3.45Å; W830-W832 HydrophobicContact CB-CE3 3.53Å; W830-W832 AromaticContact CG-CE3 3.98Å
833	D	50	Low	45.2	Very low	4 Å²	4	57.3 Å²	57.3	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.4	173.3	-60.6	-51.1	0	0	0	109.3	L736 F758 K759 T760 F781	L736-D833 HydrophobicContact CD1-CB 3.66Å; L736-D833 WeakPolarHBondContact CD1-OD2 3.39Å; F758-D833 HydrophobicContact CB-CB 4.16Å; F758-D833 HydrophobicContact CD1-CB 3.59Å; F758-D833 HydrophobicContact CE1-CB 4.29Å; F758-D833 HydrophobicContact CG-CB 4.12Å; K759-D833 WeakPolarHBondContact O-CA 3.24Å; T760-D833 WeakPolarHBondContact CA-OD1 3.28Å; T760-D833 WeakPolarHBondContact CB-OD1 3.23Å; T760-D833 PolarHBondContact N-OD1 3.08Å; T760-D833 PolarHBondContact OG1-OD1 3.13Å; F781-D833 PolarHBondContact N-O 2.89Å; F781-D833 VanDerWaalsContact N-O 3.1Å; F781-D833 PolarHBondContact O-N 2.93Å
834	C	48.3	Very low	43.9	Very low	11 Å²	11	63 Å²	63	7%	0.074	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.2	175.8	162.7	0	0	0	0	109.6	F758 K759 A778 Y780	F758-C834 CarbonylContact C-O 3.54Å; F758-C834 WeakPolarHBondContact CA-O 3.49Å; K759-C834 PolarHBondContact N-O 3.43Å; K759-C834 PolarHBondContact O-N 2.96Å; A778-C834 WeakPolarHBondContact CB-SG 3.48Å; Y780-C834 HydrophobicContact CD1-CB 4.42Å
835	L	48.8	Very low	42.4	Very low	18 Å²	18	68.8 Å²	68.8	9%	0.094	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123	166.9	-160	77	0	0	0	109.6	L754 K757 F758 L779 W839	L754-L835 HydrophobicContact CD2-CD1 4.27Å; L754-L835 HydrophobicContact CD2-CD2 3.99Å; K757-L835 HydrophobicContact CB-CD1 3.76Å; F758-L835 HydrophobicContact CD1-CB 4.08Å; F758-L835 HydrophobicContact CD1-CD1 3.92Å; F758-L835 HydrophobicContact CD2-CD1 3.99Å; F758-L835 HydrophobicContact CE1-CB 3.77Å; F758-L835 HydrophobicContact CE1-CD1 3.94Å; F758-L835 HydrophobicContact CE1-CG 4.39Å; F758-L835 HydrophobicContact CE2-CD1 4Å; F758-L835 HydrophobicContact CG-CD1 3.95Å; F758-L835 HydrophobicContact CZ-CB 4.36Å; F758-L835 HydrophobicContact CZ-CD1 3.98Å; L779-L835 PolarHBondContact O-N 2.83Å; L779-L835 VanDerWaalsContact O-N 3.13Å; L835-W839 HydrophobicContact CD2-CH2 3.63Å; L835-W839 HydrophobicContact CD2-CZ2 4.22Å; L835-W839 HydrophobicContact CD2-CZ3 4.17Å
836	Q	39.8	Very low	40.7	Very low	96 Å²	96	74.3 Å²	74.3	45%	0.449	40%	0.404	S	S	.	.			trans	-124.1	114.5	-173.8	-163	175.7	30.4	0	0	110.9
837	G	33.9	Very low	38.9	Very low	50 Å²	50	78.1 Å²	78.1	52%	0.515	43%	0.431	S	S	.	.	S	Bend	trans	177.5	168.1	-179.8	0	0	0	0	0	114.5
838	H	31.8	Very low	38.1	Very low	178 Å²	178	77.3 Å²	77.3	82%	0.824	44%	0.442	S	S	*	.			trans	-78.9	118.2	172.5	-86.7	90.3	0	0	0	110.4	A840	H838-A840 PolarHBondContact O-N 3.17Å
839	W	36.4	Very low	37.2	Very low	105 Å²	105	82.5 Å²	82.5	40%	0.398	47%	0.472	S	S	.	.			trans	-76	18.9	-171.7	-65.1	94.2	0	0	0	116	L779 M811 L835	L779-W839 HydrophobicContact CB-CZ2 4.17Å; M811-W839 HydrophobicContact CE-CE3 4.3Å; M811-W839 HydrophobicContact CE-CZ3 4.1Å; M811-W839 HydrophobicContact SD-CE3 4.3Å; M811-W839 HydrophobicContact SD-CH2 4.47Å; M811-W839 HydrophobicContact SD-CZ3 3.82Å; L835-W839 HydrophobicContact CD2-CH2 3.63Å; L835-W839 HydrophobicContact CD2-CZ2 4.22Å; L835-W839 HydrophobicContact CD2-CZ3 4.17Å
840	A	28.4	Very low	36.7	Very low	81 Å²	81	83.4 Å²	83.4	67%	0.669	48%	0.484	S	S	*	.	S	Bend	trans	-71	-44.9	-173	0	0	0	0	0	115.7	H838	H838-A840 PolarHBondContact O-N 3.17Å
841	P	28.6	Very low	35.5	Very low	102 Å²	102	89 Å²	89	66%	0.662	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-83.1	-18.7	-167	-15.8	32.3	0	0	0	115.7	I843	P841-I843 VanDerWaalsContact C-N 3.33Å; P841-I843 PolarHBondContact O-N 2.92Å
842	L	30.1	Very low	34.7	Very low	87 Å²	87	91.8 Å²	91.8	46%	0.455	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-78	-9.9	-163	-90.7	164.6	0	0	0	115.5
843	I	31.3	Very low	33.5	Very low	107 Å²	107	96.6 Å²	96.6	55%	0.549	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-86.3	-27.3	-172	-61.2	178.5	0	0	0	112.4	P841 L845	P841-I843 VanDerWaalsContact C-N 3.33Å; P841-I843 PolarHBondContact O-N 2.92Å; I843-L845 PolarHBondContact O-N 3.39Å; I843-L845 VanDerWaalsContact C-N 3.3Å
844	H	29.4	Very low	32.4	Very low	158 Å²	158	104.5 Å²	104.5	73%	0.731	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-78.2	1	-170.5	-93.5	-69.7	0	0	0	116.5
845	L	31.4	Very low	31.4	Very low	156 Å²	156	110 Å²	110	82%	0.817	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-92.5	4	-172.9	-93.1	164.4	0	0	0	115.6	I843	I843-L845 PolarHBondContact O-N 3.39Å; I843-L845 VanDerWaalsContact C-N 3.3Å
846	N	29.2	Very low	30.3	Very low	162 Å²	162	119.2 Å²	119.2	87%	0.866	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-130	21.8	-177.6	-157.2	49.7	0	0	0	114.6
847	S	30.7	Very low	30	Very low	84 Å²	84	120.2 Å²	120.2	59%	0.587	71%	0.714	S	S	*	*			trans	-120.7	94.8	173.2	59	0	0	0	0	110.5
848	G	29.9	Very low	29.8	Very low	64 Å²	64	123.7 Å²	123.7	66%	0.66	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-64.2	147.3	161.3	0	0	0	0	0	110	P850	G848-P850 WeakPolarHBondContact O-CD 3.23Å
849	P	29	Very low	29.6	Very low	126 Å²	126	121.8 Å²	121.8	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-70.9	127.3	-173.3	27.8	-34.1	0	0	0	111.5
850	P	30.2	Very low	29.3	Very low	124 Å²	124	129.3 Å²	129.3	81%	0.805	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-69.5	145.9	161	31.4	-32.9	0	0	0	109.4	G848	G848-P850 WeakPolarHBondContact O-CD 3.23Å
851	S	29.3	Very low	29.5	Very low	128 Å²	128	128.9 Å²	128.9	90%	0.895	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-82.6	124.6	-177.3	54.8	0	0	0	0	112.8
852	G	28.6	Very low	29.5	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	77%	0.774	S	S	*	*			trans	110.7	172.2	157.4	0	0	0	0	0	116.8
853	A	28.7	Very low	29.3	Very low	116 Å²	116	134.4 Å²	134.4	96%	0.959	79%	0.793	S	S	*	*			trans	68.2	151.8	-171	0	0	0	0	0	115.7
854	M	26.2	Very low	29.1	Very low	171 Å²	171	134.3 Å²	134.3	84%	0.842	81%	0.808	S	S	*	*			trans	-143.5	164.1	-166.9	171.1	172.4	157.7	0	0	109
855	E	26.7	Very low	29.1	Very low	126 Å²	126	135.5 Å²	135.5	59%	0.589	81%	0.814	S	S	*	*			trans	89.1	143.2	160.7	-125.5	-179.1	-106.1	0	0	119.4
856	R	26.2	Very low	28.9	Very low	212 Å²	212	135.8 Å²	135.8	80%	0.8	82%	0.815	S	S	*	*			trans	71.6	106	162.8	-54	-175.9	-162.8	-146	-5.5	120
857	S	33	Very low	28.7	Very low	117 Å²	117	139.5 Å²	139.5	82%	0.818	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72	142.9	149.2	52.2	0	0	0	0	112.4
858	P	30.7	Very low	28.6	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-102.4	166	147.6	-7.6	27.4	0	0	0	112.3
859	T	26.7	Very low	28.6	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-85.1	162.9	-175.6	39.7	0	0	0	0	114
860	W	31.8	Very low	28.6	Very low	263 Å²	263	142.2 Å²	142.2	100%	0.996	82%	0.82	S	S	*	*	S	Bend	trans	-70.1	139	166.1	-81.7	45.9	0	0	0	110.7
861	G	30.7	Very low	28.4	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	82%	0.816	S	S	*	*			trans	105.2	62.4	164.1	0	0	0	0	0	116.6
862	E	29.1	Very low	28.3	Very low	202 Å²	202	144.7 Å²	144.7	94%	0.944	81%	0.814	S	S	*	*	S	Bend	trans	-166.6	67.7	155	-114.7	167.8	-153.8	0	0	111.1
863	A	26.3	Very low	28.1	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	82%	0.816	S	S	*	*			trans	-156.2	16.7	177.5	0	0	0	0	0	114.2
864	A	27.9	Very low	28.2	Very low	105 Å²	105	148.1 Å²	148.1	87%	0.868	81%	0.805	S	S	*	*	S	Bend	trans	-85.9	-20.3	-171.4	0	0	0	0	0	114.3
865	E	29	Very low	28.2	Very low	182 Å²	182	149.7 Å²	149.7	85%	0.85	81%	0.807	S	S	*	*	S	Bend	trans	-127.3	98.7	-174.9	-63.7	-172.2	144.6	0	0	110.6
866	L	26.6	Very low	28	Very low	162 Å²	162	155 Å²	155	85%	0.848	82%	0.822	S	S	*	*	S	Bend	trans	-177.4	-15.2	152.4	-108.3	162.7	0	0	0	114.9
867	W	25	Very low	28.1	Very low	240 Å²	240	151.4 Å²	151.4	91%	0.909	82%	0.817	S	S	*	*			trans	-108.7	48.8	179.7	-78.8	69.1	0	0	0	113.1
868	G	29.4	Very low	27.7	Very low	61 Å²	61	157.5 Å²	157.5	63%	0.629	82%	0.822	S	S	*	*			trans	-81.3	145.6	159.4	0	0	0	0	0	110.7
869	S	28.4	Very low	27.5	Very low	102 Å²	102	159.9 Å²	159.9	71%	0.713	82%	0.822	S	S	*	*	S	Bend	trans	71.5	152.1	-178.2	78.7	0	0	0	0	117
870	H	29.7	Very low	27.6	Very low	168 Å²	168	162.1 Å²	162.1	78%	0.778	82%	0.82	S	S	*	*			trans	62	71.4	176.3	-62.7	-79.9	0	0	0	119.4
871	I	25.8	Very low	27.5	Very low	143 Å²	143	157.6 Å²	157.6	73%	0.733	81%	0.81	S	S	*	*			trans	-123	87.4	146.5	-57	-176.3	0	0	0	110.2	L873	I871-L873 HydrophobicContact CG2-CD1 3.73Å; I871-L873 HydrophobicContact CG2-CG 3.8Å
872	L	26.8	Very low	27.3	Very low	161 Å²	161	160.6 Å²	160.6	84%	0.843	81%	0.814	S	S	*	*			trans	-87.3	113.9	158.6	-90.6	161.3	0	0	0	108	P874	L872-P874 WeakPolarHBondContact O-CD 3.43Å
873	L	24.7	Very low	27.1	Very low	150 Å²	150	159.2 Å²	159.2	79%	0.785	81%	0.812	S	S	*	*			trans	-113.1	99.9	176	-90.3	169.6	0	0	0	111.6	I871	I871-L873 HydrophobicContact CG2-CD1 3.73Å; I871-L873 HydrophobicContact CG2-CG 3.8Å
874	P	32.3	Very low	27.2	Very low	110 Å²	110	164.2 Å²	164.2	71%	0.714	82%	0.815	S	S	*	*			trans	-78.2	143.3	168.3	31.7	-33	0	0	0	111.1	L872 R876	L872-P874 WeakPolarHBondContact O-CD 3.43Å; P874-R876 PolarHBondContact O-N 3.44Å
875	F	25.4	Very low	27.1	Very low	204 Å²	204	163.7 Å²	163.7	90%	0.895	81%	0.811	S	S	*	*			trans	-62.5	104.2	173.6	-89.9	-98.7	0	0	0	111.3	I877	F875-I877 PolarHBondContact O-N 2.92Å; F875-I877 VanDerWaalsContact O-N 3.13Å
876	R	22.7	Very low	26.9	Very low	236 Å²	236	160 Å²	160	89%	0.891	81%	0.805	S	S	*	*			trans	-87.4	78.1	-178.8	-162.4	175.5	-168.8	172.4	5.6	112.4	P874 R878	P874-R876 PolarHBondContact O-N 3.44Å; R876-R878 PolarHBondContact O-N 2.82Å; R876-R878 VanDerWaalsContact O-N 3.17Å
877	I	27.5	Very low	27.1	Very low	137 Å²	137	159.7 Å²	159.7	70%	0.703	80%	0.803	S	S	*	*			trans	-61.9	114.1	175.4	-59.4	176.1	0	0	0	110.2	F875 H879	F875-I877 PolarHBondContact O-N 2.92Å; F875-I877 VanDerWaalsContact O-N 3.13Å; I877-H879 PolarHBondContact O-N 2.72Å; I877-H879 VanDerWaalsContact O-N 3.16Å
878	R	24.9	Very low	27.4	Very low	245 Å²	245	161 Å²	161	93%	0.925	82%	0.816	S	S	*	*			trans	-82.6	78.9	171.2	-94.8	-172	174.1	179	1.6	111	R876	R876-R878 PolarHBondContact O-N 2.82Å; R876-R878 VanDerWaalsContact O-N 3.17Å
879	H	27.5	Very low	27.3	Very low	174 Å²	174	166.1 Å²	166.1	81%	0.806	83%	0.825	S	S	*	*			trans	-87.6	119.4	157.7	-109.2	-86.3	0	0	0	109.4	I877	I877-H879 PolarHBondContact O-N 2.72Å; I877-H879 VanDerWaalsContact O-N 3.16Å
880	K	28.1	Very low	27.2	Very low	183 Å²	183	169.4 Å²	169.4	80%	0.796	83%	0.831	S	S	*	*			trans	-98.2	106.5	167	-105.4	-162.9	172	-166.2	0	109.9
881	Q	29.2	Very low	27.1	Very low	169 Å²	169	169.5 Å²	169.5	79%	0.79	83%	0.834	S	S	*	*			trans	35.6	108.9	143.9	-63.3	169.7	-61	0	0	118.3
882	T	27.7	Very low	27.2	Very low	134 Å²	134	171.1 Å²	171.1	82%	0.822	84%	0.84	S	S	*	*			trans	-139.7	133.6	135.1	3.8	0	0	0	0	109.7
883	L	25.2	Very low	27.2	Very low	173 Å²	173	171.7 Å²	171.7	91%	0.906	84%	0.84	S	S	*	*			trans	65.4	123.3	167.7	-70	157.4	0	0	0	119.1
884	F	27.2	Very low	27.4	Very low	210 Å²	210	173.1 Å²	173.1	92%	0.921	84%	0.843	S	S	*	*			trans	-79.8	178.4	165.8	-114.3	-111	0	0	0	110.9
885	A	25.6	Very low	27	Very low	94 Å²	94	177.6 Å²	177.6	78%	0.777	85%	0.853	S	S	*	*			trans	77.4	139.6	173.3	0	0	0	0	0	114.9
886	S	25.8	Very low	27.1	Very low	103 Å²	103	175.6 Å²	175.6	72%	0.72	85%	0.849	S	S	*	*			cis	-149.7	174.9	-3.5	-154.4	0	0	0	0	111.5
887	L	29.5	Very low	27.5	Very low	156 Å²	156	170.6 Å²	170.6	82%	0.817	85%	0.846	S	S	*	*			trans	-14.9	138.7	164.2	-67.3	150	0	0	0	115.6
888	K	31.8	Very low	27.5	Very low	269 Å²	269	173.6 Å²	173.6	100%	1.17	86%	0.859	S	S	*	*			cis	-158.4	0	33.2	-162.6	179.4	-176.1	-179	0	112.3

Retrieved 888 of 888 residues in 177.6 ms (Link to these results)

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