A0A5K4FAZ5_SCHMA Loading...

SID1 transmembrane family member 1

AlphaFold DB , UniProt , Accession A0A5K4FAZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 956 aa.

						>A0A5K4FAZ5_SCHMA|A0A5K4FAZ5
MIRLLFAIAFAVSCVIFPTYSATSEANLDEPYNGEISQDQKIEYQFTLANRSEFVIRVHVANYNPKPDYPILVVIKQVDNVMSFQAPMVLNSISAYGNVSRTLCPIKLLPGEVRKLTVELSNAIKPPQKVRYMLLAQLVPDFDLESGIERSIVVSPAEPIYLRYLYPPQKKSAEIKVVSKSDICMILSIQKLQCPVNDLSDTVGNTGLHQTVTTLGAISIDVTQFLKGFFLVLVLKPTDYACSGIEDLIPPLPDQGLFSHEPQINLPGSRSKSVKILINSTHRRWPYLLPILGAVGTYLLFYVVTIIIILLYHRAERRKRFLDVSYDNAVVYNKTKMSSENYKKMKSIKNMGKSPLTSSSNVVKTSSDSLNILRPSHTGIHHQILSLPQDYQSISLNNSMEYNLHFRSTIHQTPLVEIQGSHGWFSSTDDEDDYDNKNNVASGGSCNGANNKIQSRKEKNYFSSLNHPTNITTVSDKIQIPTHSTYSTMIGQEIPNTSQQSTVVHSNNTTVITGHEINSNDKNRNDRPDSVSSIALTDDQTDVNSEFIPTYKMNVLLYVSDLSKKRYGTLNRKYLLYFWYLIIISIFYGLPAVQLIMTYQKAVFETGNEDLCYYNFECAHSLGIFTAFNNIISNIGYVMLGLLFLVLTARRDILHRRTKNLNPNSQVLGIPQHYGLFYAMGLALTMEGLMSACYHMCPNFSNFQFDTAYMYILGMLVMLKIYQTRHPDVNASAHSAYMVMAVVIFLGVLGVLYGNQIFWIIFTIFFLILSVILTVEIYYMGQWNIDLCLPRRIYYLIRTDGIGCLRPTYLERMLLLLIANLVNFTIAGYGIVKRPRDFSTFLLSIFMINLLMYTFFYAIMKLRHRERFQMLSLVYILLTCVSWGCATYFYFHRTTTWEVTPARSRALNQPCVLLDFYDAHDVWHFLSSISMFFSFMLIMYVDDDLSKRPRNQIFVF
					

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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	64.4	Low	75.2	Confident	193 Å²	193	121.7 Å²	121.7	95%	0.951	62%	0.622	S	S	*	*				0	-65.8	0	-80.3	176.5	69	0	0	113.8	R3 L4 L5	M1-R3 PolarHBondContact O-N 2.67Å; M1-L4 WeakPolarHBondContact O-CA 3.47Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.28Å; M1-L5 PolarHBondContact O-N 3.36Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2	I	75.4	Confident	74.7	Confident	128 Å²	128	117.7 Å²	117.7	66%	0.656	61%	0.607	S	S	*	*	H	α-helix	trans	-53.1	-45.6	-170.1	-62.1	170.9	0	0	0	113.8	L4 L5 F6	I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 3.28Å; I2-L5 PolarHBondContact O-N 2.73Å; I2-F6 HydrophobicContact CG2-CD2 4.07Å; I2-F6 HydrophobicContact CG2-CE2 4.21Å; I2-F6 PolarHBondContact O-N 3.06Å
3	R	75.3	Confident	73.9	Confident	233 Å²	233	113 Å²	113	88%	0.879	59%	0.591	S	S	*	*	H	α-helix	trans	-62	-29.6	175.3	-69.6	-173	-180	-177.7	0.2	114.2	M1 A7	M1-R3 PolarHBondContact O-N 2.67Å; R3-A7 WeakPolarHBondContact O-CB 3.47Å; R3-A7 PolarHBondContact O-N 2.92Å
4	L	79.6	Confident	73	Confident	113 Å²	113	110.8 Å²	110.8	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-75	-39.4	177.3	-170.4	71.8	0	0	0	111.1	M1 I2 F6 A7 I8	M1-L4 WeakPolarHBondContact O-CA 3.47Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.28Å; I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 3.28Å; L4-F6 VanDerWaalsContact C-N 3.35Å; L4-A7 PolarHBondContact O-N 3.14Å; L4-I8 HydrophobicContact CG-CD1 4.09Å; L4-I8 WeakPolarHBondContact O-CG1 3.48Å; L4-I8 PolarHBondContact O-N 3Å
5	L	79.2	Confident	72.3	Confident	111 Å²	111	111.1 Å²	111.1	58%	0.581	60%	0.596	S	S	*	*	H	α-helix	trans	-61.2	-42.3	172	-84.2	158.3	0	0	0	111.6	M1 I2 I8 A9	M1-L5 PolarHBondContact O-N 3.36Å; M1-L5 VanDerWaalsContact O-N 3.11Å; I2-L5 PolarHBondContact O-N 2.73Å; L5-I8 PolarHBondContact O-N 2.94Å; L5-A9 VanDerWaalsContact O-CB 3.25Å; L5-A9 WeakPolarHBondContact O-CB 3.42Å; L5-A9 PolarHBondContact O-N 2.97Å
6	F	77.8	Confident	71.3	Confident	150 Å²	150	111.1 Å²	111.1	66%	0.658	59%	0.594	S	S	*	*	H	α-helix	trans	-63.9	-41.4	172.7	-92.5	-79.5	0	0	0	112.9	I2 L4 A9 F10	I2-F6 HydrophobicContact CG2-CD2 4.07Å; I2-F6 HydrophobicContact CG2-CE2 4.21Å; I2-F6 PolarHBondContact O-N 3.06Å; L4-F6 VanDerWaalsContact C-N 3.35Å; F6-A9 PolarHBondContact O-N 3.24Å; F6-F10 VanDerWaalsContact O-CB 3.25Å; F6-F10 WeakPolarHBondContact O-CB 2.93Å; F6-F10 PolarHBondContact O-N 3.1Å
7	A	77.7	Confident	70.3	Confident	55 Å²	55	113.7 Å²	113.7	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-64.4	-41.4	177.1	0	0	0	0	0	112.5	R3 L4 F10 A11	R3-A7 WeakPolarHBondContact O-CB 3.47Å; R3-A7 PolarHBondContact O-N 2.92Å; L4-A7 PolarHBondContact O-N 3.14Å; A7-F10 PolarHBondContact O-N 3.44Å; A7-A11 WeakPolarHBondContact O-CB 3.35Å; A7-A11 PolarHBondContact O-N 3.48Å
8	I	79.3	Confident	69.4	Low	94 Å²	94	112.8 Å²	112.8	48%	0.482	60%	0.601	S	S	.	*	H	α-helix	trans	-67.8	-45.5	175.7	-66.2	165.9	0	0	0	110.4	L4 L5 F10 A11 V12	L4-I8 HydrophobicContact CG-CD1 4.09Å; L4-I8 WeakPolarHBondContact O-CG1 3.48Å; L4-I8 PolarHBondContact O-N 3Å; L5-I8 PolarHBondContact O-N 2.94Å; I8-F10 VanDerWaalsContact C-N 3.3Å; I8-F10 PolarHBondContact O-N 2.68Å; I8-A11 PolarHBondContact O-N 2.99Å; I8-V12 HydrophobicContact CG2-CG2 4.18Å; I8-V12 VanDerWaalsContact O-CB 3.29Å; I8-V12 WeakPolarHBondContact O-CB 3.41Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.32Å; I8-V12 PolarHBondContact O-N 3.41Å
9	A	73.2	Confident	68.6	Low	59 Å²	59	111.6 Å²	111.6	49%	0.488	60%	0.598	S	S	.	*	H	α-helix	trans	-61.5	-38	176.5	0	0	0	0	0	112.4	L5 F6 S13	L5-A9 VanDerWaalsContact O-CB 3.25Å; L5-A9 WeakPolarHBondContact O-CB 3.42Å; L5-A9 PolarHBondContact O-N 2.97Å; F6-A9 PolarHBondContact O-N 3.24Å; A9-S13 VanDerWaalsContact O-CB 3.23Å; A9-S13 WeakPolarHBondContact O-CB 3.37Å; A9-S13 PolarHBondContact O-N 3.49Å
10	F	74.9	Confident	68.4	Low	149 Å²	149	114.2 Å²	114.2	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-69.4	-45.5	175.7	-167.4	-94.4	0	0	0	111.9	F6 A7 I8 V12 S13 C14	F6-F10 VanDerWaalsContact O-CB 3.25Å; F6-F10 WeakPolarHBondContact O-CB 2.93Å; F6-F10 PolarHBondContact O-N 3.1Å; A7-F10 PolarHBondContact O-N 3.44Å; I8-F10 VanDerWaalsContact C-N 3.3Å; I8-F10 PolarHBondContact O-N 2.68Å; F10-V12 PolarHBondContact O-N 2.89Å; F10-S13 PolarHBondContact O-N 3.42Å; F10-C14 VanDerWaalsContact CE1-SG 3.58Å; F10-C14 WeakPolarHBondContact O-CB 3.25Å; F10-C14 PolarHBondContact O-N 3.11Å; F10-C14 PolarHBondContact O-SG 3.24Å; F10-C14 VanDerWaalsContact O-SG 3.39Å
11	A	70.7	Confident	68.1	Low	54 Å²	54	112.2 Å²	112.2	45%	0.446	60%	0.596	S	S	.	*	H	α-helix	trans	-61.7	-43.7	175.7	0	0	0	0	0	112.1	A7 I8 C14 V15	A7-A11 WeakPolarHBondContact O-CB 3.35Å; A7-A11 PolarHBondContact O-N 3.48Å; I8-A11 PolarHBondContact O-N 2.99Å; A11-C14 PolarHBondContact O-N 3.07Å; A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 2.91Å
12	V	69.2	Low	68.5	Low	73 Å²	73	104.6 Å²	104.6	44%	0.442	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-41.3	175.2	169.9	0	0	0	0	110.9	I8 F10 V15 I16	I8-V12 HydrophobicContact CG2-CG2 4.18Å; I8-V12 VanDerWaalsContact O-CB 3.29Å; I8-V12 WeakPolarHBondContact O-CB 3.41Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.32Å; I8-V12 PolarHBondContact O-N 3.41Å; F10-V12 PolarHBondContact O-N 2.89Å; V12-V15 PolarHBondContact O-N 3.4Å; V12-I16 HydrophobicContact CG1-CD1 3.49Å; V12-I16 VanDerWaalsContact CG1-CD1 3.49Å; V12-I16 HydrophobicContact CG1-CG1 4.29Å; V12-I16 WeakPolarHBondContact O-CB 3.32Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.38Å; V12-I16 PolarHBondContact O-N 3.01Å
13	S	64.1	Low	68.8	Low	57 Å²	57	102.4 Å²	102.4	40%	0.399	56%	0.557	S	S	.	*	H	α-helix	trans	-61.3	-45.8	173.7	-169.6	0	0	0	0	112.2	A9 F10 V15 I16 F17	A9-S13 VanDerWaalsContact O-CB 3.23Å; A9-S13 WeakPolarHBondContact O-CB 3.37Å; A9-S13 PolarHBondContact O-N 3.49Å; F10-S13 PolarHBondContact O-N 3.42Å; S13-V15 VanDerWaalsContact C-N 3.25Å; S13-V15 PolarHBondContact O-N 2.98Å; S13-I16 PolarHBondContact O-N 3.38Å; S13-F17 WeakPolarHBondContact O-CD2 3.28Å; S13-F17 PolarHBondContact O-N 3.18Å
14	C	61.3	Low	69.2	Low	82 Å²	82	93.4 Å²	93.4	55%	0.554	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-26.5	176.2	-71.9	0	0	0	0	113.9	F10 A11	F10-C14 VanDerWaalsContact CE1-SG 3.58Å; F10-C14 WeakPolarHBondContact O-CB 3.25Å; F10-C14 PolarHBondContact O-N 3.11Å; F10-C14 PolarHBondContact O-SG 3.24Å; F10-C14 VanDerWaalsContact O-SG 3.39Å; A11-C14 PolarHBondContact O-N 3.07Å
15	V	62	Low	69.7	Low	116 Å²	116	95.3 Å²	95.3	70%	0.703	54%	0.535	S	S	*	.	H	α-helix	trans	-88.8	-21.1	177.7	173.5	0	0	0	0	112.7	A11 V12 S13 P18	A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 2.91Å; V12-V15 PolarHBondContact O-N 3.4Å; S13-V15 VanDerWaalsContact C-N 3.25Å; S13-V15 PolarHBondContact O-N 2.98Å; V15-P18 WeakPolarHBondContact O-CD 3.32Å
16	I	56.6	Low	70.3	Confident	110 Å²	110	90.2 Å²	90.2	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-84.5	-21.6	-179.8	-74.5	173.1	0	0	0	113.4	V12 S13 P18	V12-I16 HydrophobicContact CG1-CD1 3.49Å; V12-I16 VanDerWaalsContact CG1-CD1 3.49Å; V12-I16 HydrophobicContact CG1-CG1 4.29Å; V12-I16 WeakPolarHBondContact O-CB 3.32Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.38Å; V12-I16 PolarHBondContact O-N 3.01Å; S13-I16 PolarHBondContact O-N 3.38Å; I16-P18 WeakPolarHBondContact O-CD 3.49Å
17	F	55	Low	71.1	Confident	156 Å²	156	87.6 Å²	87.6	68%	0.684	50%	0.502	S	S	*	.			trans	-112	42.3	-177.8	-64.9	-73.7	0	0	0	116.9	S13 T19	S13-F17 WeakPolarHBondContact O-CD2 3.28Å; S13-F17 PolarHBondContact O-N 3.18Å; F17-T19 PolarHBondContact O-N 2.89Å
18	P	53.3	Low	71.9	Confident	97 Å²	97	86.9 Å²	86.9	63%	0.63	49%	0.49	S	S	*	.			trans	-68.4	115.8	160.6	30.3	-30	0	0	0	108.6	V15 I16 Y20	V15-P18 WeakPolarHBondContact O-CD 3.32Å; I16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-Y20 PolarHBondContact O-N 3.09Å
19	T	54.8	Low	72.5	Confident	90 Å²	90	86.8 Å²	86.8	55%	0.552	49%	0.491	S	S	*	.			trans	-59.4	111.9	172.9	49.1	0	0	0	0	109.5	F17 S21 D39	F17-T19 PolarHBondContact O-N 2.89Å; T19-S21 PolarHBondContact O-N 3.32Å; T19-S21 VanDerWaalsContact O-N 3.12Å; T19-D39 WeakPolarHBondContact CA-O 3.27Å
20	Y	64.2	Low	73.6	Confident	164 Å²	164	88 Å²	88	64%	0.643	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	111.9	-175.7	-170.8	-98.4	0	0	0	109.1	P18 A22 D39 K41	P18-Y20 PolarHBondContact O-N 3.09Å; Y20-A22 HydrophobicContact CD1-CB 4.12Å; Y20-A22 HydrophobicContact CE1-CB 3.83Å; Y20-D39 PolarHBondContact N-O 3.38Å; Y20-D39 VanDerWaalsContact N-O 3.17Å; Y20-K41 PolarHBondContact O-N 3.07Å
21	S	62.6	Low	74.6	Confident	72 Å²	72	84.5 Å²	84.5	50%	0.503	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105.7	176.8	-58.5	0	0	0	0	108.5	T19 K41	T19-S21 PolarHBondContact O-N 3.32Å; T19-S21 VanDerWaalsContact O-N 3.12Å; S21-K41 CarbonylContact C-O 3.6Å; S21-K41 WeakPolarHBondContact CA-O 3.4Å
22	A	73.5	Confident	75.7	Confident	34 Å²	34	84 Å²	84	28%	0.281	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	100.2	-179.4	0	0	0	0	0	109.8	Y20 K41 E43	Y20-A22 HydrophobicContact CD1-CB 4.12Å; Y20-A22 HydrophobicContact CE1-CB 3.83Å; A22-K41 PolarHBondContact N-O 3.22Å; A22-E43 PolarHBondContact O-N 3.43Å
23	T	80.2	Confident	76.9	Confident	82 Å²	82	85.3 Å²	85.3	50%	0.503	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.9	171.7	-48	0	0	0	0	110.1	E43 Q45	T23-E43 CarbonylContact C-O 3.54Å; T23-E43 WeakPolarHBondContact CA-O 3.36Å; T23-E43 HydrophobicContact CG2-CB 4.39Å; T23-E43 HydrophobicContact CG2-CG 4.44Å; T23-Q45 HydrophobicContact CG2-CG 3.87Å
24	S	85.2	Confident	78.3	Confident	43 Å²	43	83.7 Å²	83.7	30%	0.301	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.9	173.2	50.6	0	0	0	0	111	E43 Y44 Q45	S24-E43 PolarHBondContact N-O 2.87Å; S24-E43 PolarHBondContact OG-O 3.35Å; S24-Y44 WeakPolarHBondContact O-CA 3.2Å; S24-Y44 VanDerWaalsContact OG-CD1 3.28Å; S24-Y44 WeakPolarHBondContact OG-CD1 3.3Å; S24-Y44 WeakPolarHBondContact OG-CE1 3.33Å; S24-Q45 PolarHBondContact O-N 2.86Å
25	E	90.1	Very high	79.7	Confident	154 Å²	154	83.2 Å²	83.2	72%	0.72	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.7	167.5	-171.9	161.2	-149.3	0	0	109.4
26	A	91.7	Very high	81	Confident	4 Å²	4	77.7 Å²	77.7	3%	0.033	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.8	-167.6	0	0	0	0	0	111.7	Y32 Y44 Q45 F46	A26-Y32 HydrophobicContact CB-CE2 3.8Å; A26-Y44 HydrophobicContact CB-CD1 4.03Å; A26-Q45 PolarHBondContact N-O 3.3Å; A26-F46 HydrophobicContact CB-CD1 3.72Å; A26-F46 HydrophobicContact CB-CE1 3.45Å; A26-F46 VanDerWaalsContact CB-CE1 3.45Å; A26-F46 HydrophobicContact CB-CE2 4.3Å; A26-F46 HydrophobicContact CB-CG 4.26Å; A26-F46 HydrophobicContact CB-CZ 3.76Å; A26-F46 WeakPolarHBondContact O-CA 3.11Å; A26-F46 WeakPolarHBondContact O-CD1 3.17Å
27	N	93.8	Very high	82.4	Confident	94 Å²	94	72.5 Å²	72.5	50%	0.503	39%	0.392	S	S	.	.			trans	-93.8	150	176.2	-63.2	-33.9	0	0	0	110.4	E30 Y32 F46	N27-E30 HydrophobicContact CB-CG 4.15Å; N27-E30 PolarHBondContact ND2-OE1 2.86Å; N27-Y32 PolarHBondContact N-OH 3.11Å; N27-Y32 PolarHBondContact O-OH 3.29Å; N27-F46 VanDerWaalsContact O-CE1 3.29Å; N27-F46 WeakPolarHBondContact O-CE1 3.48Å
28	L	93.5	Very high	83.8	Confident	40 Å²	40	69.8 Å²	69.8	21%	0.209	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	156.4	167.3	-64.7	177.2	0	0	0	110.4	E30 F46 L48 F54 I56 A136	L28-E30 PolarHBondContact O-N 3.42Å; L28-E30 VanDerWaalsContact O-N 3.14Å; L28-F46 HydrophobicContact CD2-CB 4.37Å; L28-F46 HydrophobicContact CD2-CD1 3.92Å; L28-F46 HydrophobicContact CD2-CG 4.31Å; L28-L48 HydrophobicContact CD1-CD2 3.8Å; L28-L48 HydrophobicContact CG-CD2 4.42Å; L28-F54 HydrophobicContact CD1-CD1 4.24Å; L28-F54 HydrophobicContact CD1-CE1 4.41Å; L28-I56 HydrophobicContact CD1-CD1 4.25Å; L28-I56 HydrophobicContact CD1-CG1 4.44Å; L28-I56 HydrophobicContact CD2-CD1 4.13Å; L28-I56 HydrophobicContact CD2-CG1 4.41Å; L28-I56 HydrophobicContact CD2-CG2 4.2Å; L28-A136 WeakPolarHBondContact CA-O 3.41Å; L28-A136 HydrophobicContact CD2-CB 4.09Å; L28-A136 WeakPolarHBondContact CD2-O 3.45Å
29	D	93.3	Very high	85.1	Confident	92 Å²	92	68.3 Å²	68.3	49%	0.492	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	4.1	177.4	-49.5	-47.3	0	0	0	115	A136 Q137 L138	D29-A136 PolarHBondContact N-O 2.93Å; D29-Q137 WeakPolarHBondContact OD1-CA 3.38Å; D29-Q137 VanDerWaalsContact OD1-CB 3.27Å; D29-Q137 WeakPolarHBondContact OD1-CB 3.46Å; D29-L138 PolarHBondContact OD1-N 3.18Å
30	E	94.7	Very high	86.5	Confident	85 Å²	85	66.4 Å²	66.4	40%	0.397	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-99.3	135.1	172.6	-74.1	-179.9	-162.6	0	0	112.5	N27 L28 Y32 L135	N27-E30 HydrophobicContact CB-CG 4.15Å; N27-E30 PolarHBondContact ND2-OE1 2.86Å; L28-E30 PolarHBondContact O-N 3.42Å; L28-E30 VanDerWaalsContact O-N 3.14Å; E30-Y32 HydrophobicContact CB-CE2 3.95Å; E30-Y32 WeakPolarHBondContact CB-OH 3.38Å; E30-Y32 WeakPolarHBondContact O-CD2 3.32Å; E30-Y32 WeakPolarHBondContact O-CE2 3.37Å; E30-Y32 PolarHBondContact OE2-OH 2.91Å; E30-L135 WeakPolarHBondContact O-CD1 3.39Å
31	P	95.9	Very high	87.6	Confident	75 Å²	75	62.7 Å²	62.7	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.6	175.3	32.9	-32.1	0	0	0	112.5	M133 L135	P31-M133 HydrophobicContact CB-CG 4.4Å; P31-M133 HydrophobicContact CB-SD 4.37Å; P31-L135 HydrophobicContact CB-CD1 4.46Å
32	Y	95.5	Very high	88.9	Confident	43 Å²	43	60.2 Å²	60.2	17%	0.169	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.5	177.8	-60.5	-75.2	0	0	0	111.2	A26 N27 E30 Y44 F46 M133 L134	A26-Y32 HydrophobicContact CB-CE2 3.8Å; N27-Y32 PolarHBondContact N-OH 3.11Å; N27-Y32 PolarHBondContact O-OH 3.29Å; E30-Y32 HydrophobicContact CB-CE2 3.95Å; E30-Y32 WeakPolarHBondContact CB-OH 3.38Å; E30-Y32 WeakPolarHBondContact O-CD2 3.32Å; E30-Y32 WeakPolarHBondContact O-CE2 3.37Å; E30-Y32 PolarHBondContact OE2-OH 2.91Å; Y32-Y44 AromaticContact CD1-CE1 4Å; Y32-Y44 HydrophobicContact CD1-CE1 4Å; Y32-Y44 HydrophobicContact CD2-CD1 4.18Å; Y32-Y44 HydrophobicContact CD2-CE1 4.16Å; Y32-Y44 HydrophobicContact CG-CD1 4.07Å; Y32-Y44 AromaticContact CG-CE1 3.61Å; Y32-Y44 HydrophobicContact CG-CE1 3.61Å; Y32-F46 HydrophobicContact CE2-CE1 4.15Å; Y32-M133 CarbonylContact O-C 3.56Å; Y32-M133 WeakPolarHBondContact O-CA 3.15Å; Y32-L134 PolarHBondContact N-O 3.14Å; Y32-L134 PolarHBondContact O-N 3.4Å
33	N	94.7	Very high	89.8	Confident	102 Å²	102	60.6 Å²	60.6	55%	0.545	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.7	178	-66.1	-57.9	0	0	0	111.1	Y132 M133	N33-Y132 WeakPolarHBondContact CA-O 3.4Å; N33-M133 VanDerWaalsContact OD1-CB 3.22Å; N33-M133 WeakPolarHBondContact OD1-CB 3.44Å; N33-M133 VanDerWaalsContact OD1-CG 3.32Å; N33-M133 WeakPolarHBondContact OD1-CG 3.3Å
34	G	91.9	Very high	90.5	Very high	23 Å²	23	57.5 Å²	57.5	24%	0.237	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	-179.7	-179.7	0	0	0	0	0	114.8	R131 Y132	G34-R131 WeakPolarHBondContact O-CA 3.26Å; G34-Y132 VanDerWaalsContact C-CE1 3.41Å; G34-Y132 PolarHBondContact N-O 3.41Å; G34-Y132 WeakPolarHBondContact O-CD1 3.47Å; G34-Y132 PolarHBondContact O-N 3.15Å
35	E	90.6	Very high	91	Very high	71 Å²	71	57.6 Å²	57.6	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.5	173.5	-75.5	-176.1	175.6	0	0	109.3	K129 V130 R131	E35-K129 HydrophobicContact CB-CB 4.19Å; E35-K129 HydrophobicContact CB-CD 3.95Å; E35-K129 WeakPolarHBondContact OE2-CD 3.3Å; E35-V130 WeakPolarHBondContact CA-O 3.26Å; E35-R131 HydrophobicContact CG-CG 3.57Å; E35-R131 IonicContact OE1-CZ 3.29Å; E35-R131 VanDerWaalsContact OE1-CZ 3.29Å; E35-R131 IonicContact OE1-NE 2.67Å; E35-R131 PolarHBondContact OE1-NE 2.64Å; E35-R131 IonicContact OE1-NH2 2.92Å; E35-R131 PolarHBondContact OE1-NH2 3.49Å
36	I	89.3	Confident	91.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.8	-177.1	-165.3	164.9	0	0	0	113.7	Q40 I42 L120 N122 K129 V130 Y132	I36-Q40 HydrophobicContact CG1-CB 4.49Å; I36-I42 HydrophobicContact CB-CD1 4.28Å; I36-I42 HydrophobicContact CD1-CD1 4.14Å; I36-I42 HydrophobicContact CD1-CG1 4.12Å; I36-I42 HydrophobicContact CG1-CD1 4.28Å; I36-L120 VanDerWaalsContact CD1-C 3.48Å; I36-L120 HydrophobicContact CD1-CB 4Å; I36-L120 WeakPolarHBondContact CD1-O 3.47Å; I36-N122 HydrophobicContact CG1-CB 4.49Å; I36-N122 HydrophobicContact CG2-CB 4.12Å; I36-K129 WeakPolarHBondContact O-CA 3.36Å; I36-V130 HydrophobicContact CG2-CB 4.49Å; I36-V130 PolarHBondContact N-O 2.91Å; I36-V130 PolarHBondContact O-N 3.03Å; I36-Y132 HydrophobicContact CB-CD1 4.3Å; I36-Y132 HydrophobicContact CB-CE1 4.06Å; I36-Y132 HydrophobicContact CG2-CD1 3.99Å; I36-Y132 HydrophobicContact CG2-CE1 4.24Å
37	S	86.3	Confident	91.2	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.014	28%	0.275	C	S	.	.			trans	-139.2	169.9	178.8	47	0	0	0	0	111.5	D39 Q40 Q128	S37-D39 VanDerWaalsContact CB-OD1 3.23Å; S37-D39 WeakPolarHBondContact CB-OD1 3.27Å; S37-D39 PolarHBondContact O-N 2.89Å; S37-D39 VanDerWaalsContact O-N 3.15Å; S37-D39 PolarHBondContact OG-OD1 3.32Å; S37-Q40 PolarHBondContact O-N 3.35Å; S37-Q128 WeakPolarHBondContact CB-O 3.5Å
38	Q	84.1	Confident	91.1	Very high	99 Å²	99	48.8 Å²	48.8	46%	0.463	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.2	-173.3	179.8	178.8	25.4	0	0	115.5	Q40 N122 I124	Q38-Q40 VanDerWaalsContact C-N 3.28Å; Q38-N122 WeakPolarHBondContact CA-O 3.31Å; Q38-I124 WeakPolarHBondContact CB-O 3.25Å; Q38-I124 PolarHBondContact N-O 3.31Å
39	D	81.7	Confident	90.9	Very high	65 Å²	65	48.3 Å²	48.3	35%	0.348	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.7	178.4	59.1	-52.2	0	0	0	113.8	T19 Y20 S37 P126	T19-D39 WeakPolarHBondContact CA-O 3.27Å; Y20-D39 PolarHBondContact N-O 3.38Å; Y20-D39 VanDerWaalsContact N-O 3.17Å; S37-D39 VanDerWaalsContact CB-OD1 3.23Å; S37-D39 WeakPolarHBondContact CB-OD1 3.27Å; S37-D39 PolarHBondContact O-N 2.89Å; S37-D39 VanDerWaalsContact O-N 3.15Å; S37-D39 PolarHBondContact OG-OD1 3.32Å; D39-P126 HydrophobicContact CB-CG 4.37Å; D39-P126 VanDerWaalsContact OD1-CG 3.3Å; D39-P126 WeakPolarHBondContact OD1-CG 3.49Å
40	Q	82.9	Confident	90.6	Very high	50 Å²	50	52 Å²	52	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.7	-170.3	-56.6	-170.3	-14.1	0	0	112.5	I36 S37 Q38	I36-Q40 HydrophobicContact CG1-CB 4.49Å; S37-Q40 PolarHBondContact O-N 3.35Å; Q38-Q40 VanDerWaalsContact C-N 3.28Å
41	K	87.6	Confident	90.3	Very high	86 Å²	86	54.9 Å²	54.9	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130	166.3	-71.3	-177.2	164.2	-135.6	0	108.4	Y20 S21 A22 E119	Y20-K41 PolarHBondContact O-N 3.07Å; S21-K41 CarbonylContact C-O 3.6Å; S21-K41 WeakPolarHBondContact CA-O 3.4Å; A22-K41 PolarHBondContact N-O 3.22Å; K41-E119 WeakPolarHBondContact CD-OE1 3.4Å; K41-E119 WeakPolarHBondContact CE-OE1 3.5Å; K41-E119 IonicContact NZ-OE1 2.78Å; K41-E119 PolarHBondContact NZ-OE1 2.85Å
42	I	91.4	Very high	89.9	Confident	20 Å²	20	55.9 Å²	55.9	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125	-178.1	-54.3	176.2	0	0	0	107.6	I36 Y44 E119 L120 Y132	I36-I42 HydrophobicContact CB-CD1 4.28Å; I36-I42 HydrophobicContact CD1-CD1 4.14Å; I36-I42 HydrophobicContact CD1-CG1 4.12Å; I36-I42 HydrophobicContact CG1-CD1 4.28Å; I42-Y44 HydrophobicContact CB-CE2 4.47Å; I42-Y44 HydrophobicContact CG2-CD2 4.11Å; I42-Y44 HydrophobicContact CG2-CE2 3.46Å; I42-Y44 VanDerWaalsContact CG2-CE2 3.46Å; I42-E119 CarbonylContact O-C 3.6Å; I42-E119 WeakPolarHBondContact O-CA 3.18Å; I42-L120 PolarHBondContact N-O 3.02Å; I42-L120 VanDerWaalsContact N-O 3.12Å; I42-L120 PolarHBondContact O-N 3.12Å; I42-Y132 HydrophobicContact CD1-CE1 3.97Å; I42-Y132 WeakPolarHBondContact CD1-OH 3.36Å
43	E	92.4	Very high	89.7	Confident	43 Å²	43	56.1 Å²	56.1	20%	0.201	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.4	-176.1	-170.8	-173.6	138.3	0	0	110.1	A22 T23 S24 Q45 T117 V118	A22-E43 PolarHBondContact O-N 3.43Å; T23-E43 CarbonylContact C-O 3.54Å; T23-E43 WeakPolarHBondContact CA-O 3.36Å; T23-E43 HydrophobicContact CG2-CB 4.39Å; T23-E43 HydrophobicContact CG2-CG 4.44Å; S24-E43 PolarHBondContact N-O 2.87Å; S24-E43 PolarHBondContact OG-O 3.35Å; E43-Q45 WeakPolarHBondContact OE1-CG 3.35Å; E43-Q45 PolarHBondContact OE1-NE2 3.28Å; E43-T117 VanDerWaalsContact CD-CG2 3.46Å; E43-T117 HydrophobicContact CG-CG2 3.38Å; E43-T117 VanDerWaalsContact OE1-CG2 3.23Å; E43-T117 WeakPolarHBondContact OE1-CG2 3.25Å; E43-V118 WeakPolarHBondContact CA-O 3.42Å
44	Y	94.6	Very high	89.6	Confident	16 Å²	16	51.7 Å²	51.7	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.4	174.1	-65.5	-92.6	0	0	0	109.8	S24 A26 Y32 I42 T117 V118 L120 Y132 L134	S24-Y44 WeakPolarHBondContact O-CA 3.2Å; S24-Y44 VanDerWaalsContact OG-CD1 3.28Å; S24-Y44 WeakPolarHBondContact OG-CD1 3.3Å; S24-Y44 WeakPolarHBondContact OG-CE1 3.33Å; A26-Y44 HydrophobicContact CB-CD1 4.03Å; Y32-Y44 AromaticContact CD1-CE1 4Å; Y32-Y44 HydrophobicContact CD1-CE1 4Å; Y32-Y44 HydrophobicContact CD2-CD1 4.18Å; Y32-Y44 HydrophobicContact CD2-CE1 4.16Å; Y32-Y44 HydrophobicContact CG-CD1 4.07Å; Y32-Y44 AromaticContact CG-CE1 3.61Å; Y32-Y44 HydrophobicContact CG-CE1 3.61Å; I42-Y44 HydrophobicContact CB-CE2 4.47Å; I42-Y44 HydrophobicContact CG2-CD2 4.11Å; I42-Y44 HydrophobicContact CG2-CE2 3.46Å; I42-Y44 VanDerWaalsContact CG2-CE2 3.46Å; Y44-T117 CarbonylContact O-C 3.53Å; Y44-T117 WeakPolarHBondContact O-CA 3.33Å; Y44-V118 PolarHBondContact N-O 2.83Å; Y44-V118 PolarHBondContact O-N 2.83Å; Y44-L120 HydrophobicContact CE2-CD1 4.01Å; Y44-Y132 HydrophobicContact CE2-CE2 4.34Å; Y44-Y132 PolarHBondContact OH-OH 3.5Å; Y44-L134 HydrophobicContact CD1-CD2 4.24Å; Y44-L134 HydrophobicContact CD2-CD2 3.25Å; Y44-L134 HydrophobicContact CE2-CD2 3.65Å; Y44-L134 HydrophobicContact CG-CD2 3.57Å
45	Q	93.9	Very high	89.7	Confident	45 Å²	45	51.1 Å²	51.1	21%	0.21	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.9	176.1	-66.8	-166.7	7.5	0	0	110.7	T23 S24 A26 E43	T23-Q45 HydrophobicContact CG2-CG 3.87Å; S24-Q45 PolarHBondContact O-N 2.86Å; A26-Q45 PolarHBondContact N-O 3.3Å; E43-Q45 WeakPolarHBondContact OE1-CG 3.35Å; E43-Q45 PolarHBondContact OE1-NE2 3.28Å
46	F	94	Very high	89.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.8	176.7	-54	-95.7	0	0	0	110	A26 N27 L28 Y32 L116 V118 L134 A136	A26-F46 HydrophobicContact CB-CD1 3.72Å; A26-F46 HydrophobicContact CB-CE1 3.45Å; A26-F46 VanDerWaalsContact CB-CE1 3.45Å; A26-F46 HydrophobicContact CB-CE2 4.3Å; A26-F46 HydrophobicContact CB-CG 4.26Å; A26-F46 HydrophobicContact CB-CZ 3.76Å; A26-F46 WeakPolarHBondContact O-CA 3.11Å; A26-F46 WeakPolarHBondContact O-CD1 3.17Å; N27-F46 VanDerWaalsContact O-CE1 3.29Å; N27-F46 WeakPolarHBondContact O-CE1 3.48Å; L28-F46 HydrophobicContact CD2-CB 4.37Å; L28-F46 HydrophobicContact CD2-CD1 3.92Å; L28-F46 HydrophobicContact CD2-CG 4.31Å; Y32-F46 HydrophobicContact CE2-CE1 4.15Å; F46-L116 HydrophobicContact CB-CB 4.23Å; F46-L116 HydrophobicContact CB-CD2 4.49Å; F46-L116 HydrophobicContact CD2-CD2 4.3Å; F46-L116 HydrophobicContact CD2-CG 4.31Å; F46-L116 PolarHBondContact N-O 3.48Å; F46-L116 PolarHBondContact O-N 3.45Å; F46-V118 HydrophobicContact CD2-CG2 4.31Å; F46-V118 HydrophobicContact CE2-CB 4.24Å; F46-V118 HydrophobicContact CE2-CG2 3.78Å; F46-L134 HydrophobicContact CZ-CD2 4.46Å; F46-A136 HydrophobicContact CD1-CB 4.29Å; F46-A136 HydrophobicContact CE1-CB 3.72Å; F46-A136 HydrophobicContact CE2-CB 4.09Å; F46-A136 HydrophobicContact CZ-CB 3.61Å
47	T	92.3	Very high	90.2	Very high	65 Å²	65	48.8 Å²	48.8	40%	0.399	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.1	179	-63.1	0	0	0	0	110.3	V113	T47-V113 HydrophobicContact CG2-CG1 3.67Å
48	L	91.8	Very high	90.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113	-178.6	-53.2	-179.2	0	0	0	110.2	L28 F54 I56 I106 L108 V113 R114 L116	L28-L48 HydrophobicContact CD1-CD2 3.8Å; L28-L48 HydrophobicContact CG-CD2 4.42Å; L48-F54 HydrophobicContact CB-CD2 4.41Å; L48-F54 HydrophobicContact CB-CE1 4.47Å; L48-F54 HydrophobicContact CB-CE2 4.18Å; L48-F54 HydrophobicContact CB-CZ 4.21Å; L48-F54 HydrophobicContact CD2-CD1 4.06Å; L48-F54 HydrophobicContact CD2-CE1 4.21Å; L48-F54 HydrophobicContact CD2-CG 4.48Å; L48-I56 HydrophobicContact CD1-CD1 3.94Å; L48-I56 HydrophobicContact CD2-CD1 3.68Å; L48-I56 HydrophobicContact CG-CD1 4.48Å; L48-I106 HydrophobicContact CD1-CD1 3.57Å; L48-L108 HydrophobicContact CB-CD2 4.38Å; L48-L108 WeakPolarHBondContact O-CD2 3.39Å; L48-V113 WeakPolarHBondContact O-CA 3.39Å; L48-R114 HydrophobicContact CB-CB 4.37Å; L48-R114 WeakPolarHBondContact CB-O 3.32Å; L48-R114 PolarHBondContact N-O 3.34Å; L48-R114 PolarHBondContact O-N 3.37Å; L48-L116 HydrophobicContact CD1-CB 4.19Å; L48-L116 HydrophobicContact CG-CB 4.48Å
49	A	89.7	Confident	91.2	Very high	31 Å²	31	45.5 Å²	45.5	26%	0.256	23%	0.232	S	C	.	.			trans	-151.2	164.6	-179.9	0	0	0	0	0	111.5	R51 F54 V113	A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 2.94Å; A49-F54 WeakPolarHBondContact O-CZ 3.38Å; A49-V113 HydrophobicContact CB-CG1 4.45Å; A49-V113 HydrophobicContact CB-CG2 4.12Å
50	N	86.8	Confident	91.9	Very high	170 Å²	170	42.5 Å²	42.5	91%	0.909	22%	0.216	S	C	*	.	S	Bend	trans	67.4	15.9	173.6	-51.6	-29.8	0	0	0	116.8
51	R	88.3	Confident	92.4	Very high	145 Å²	145	40.2 Å²	40.2	55%	0.547	21%	0.207	S	C	.	.			trans	-137.7	153.6	165.6	-55	-175.9	179.1	-141.7	6.8	110.9	A49 F54	A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 2.94Å; R51-F54 HydrophobicContact CB-CD2 4.32Å; R51-F54 HydrophobicContact CB-CE1 4.25Å; R51-F54 HydrophobicContact CB-CE2 3.68Å; R51-F54 HydrophobicContact CB-CZ 3.63Å; R51-F54 HydrophobicContact CG-CE1 4.21Å; R51-F54 HydrophobicContact CG-CE2 4.46Å; R51-F54 HydrophobicContact CG-CZ 3.91Å
52	S	87.5	Confident	92.7	Very high	96 Å²	96	36.3 Å²	36.3	67%	0.671	19%	0.189	S	C	*	.	S	Bend	trans	-76.9	-29.1	177.6	48.9	0	0	0	0	113.7	K107 L108	S52-K107 WeakPolarHBondContact O-CA 3.33Å; S52-L108 PolarHBondContact O-N 3.48Å
53	E	90.8	Very high	92.6	Very high	48 Å²	48	41.2 Å²	41.2	22%	0.224	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.9	178.3	-167.3	170.1	-128.7	0	0	110.5	P105 I106 K107 R163	E53-P105 HydrophobicContact CG-CB 4.04Å; E53-P105 WeakPolarHBondContact OE1-CB 3.41Å; E53-I106 CarbonylContact C-O 3.56Å; E53-I106 VanDerWaalsContact CA-O 3.29Å; E53-I106 WeakPolarHBondContact CA-O 3.48Å; E53-K107 HydrophobicContact CG-CG 4.2Å; E53-K107 WeakPolarHBondContact OE1-CE 3.28Å; E53-R163 VanDerWaalsContact CD-NH1 3.26Å; E53-R163 IonicContact OE1-CZ 2.82Å; E53-R163 IonicContact OE1-NH1 3.04Å; E53-R163 PolarHBondContact OE1-NH1 2.85Å; E53-R163 IonicContact OE1-NH2 2.73Å; E53-R163 IonicContact OE2-CZ 2.74Å; E53-R163 VanDerWaalsContact OE2-CZ 3.32Å; E53-R163 IonicContact OE2-NH1 2.88Å; E53-R163 PolarHBondContact OE2-NH1 3.44Å; E53-R163 IonicContact OE2-NH2 3.4Å; E53-R163 PolarHBondContact OE2-NH2 3.02Å
54	F	92.5	Very high	92.3	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130	173.5	-67.5	-100.7	0	0	0	109.9	L28 L48 A49 R51 I56 P105 I106 L108 L138	L28-F54 HydrophobicContact CD1-CD1 4.24Å; L28-F54 HydrophobicContact CD1-CE1 4.41Å; L48-F54 HydrophobicContact CB-CD2 4.41Å; L48-F54 HydrophobicContact CB-CE1 4.47Å; L48-F54 HydrophobicContact CB-CE2 4.18Å; L48-F54 HydrophobicContact CB-CZ 4.21Å; L48-F54 HydrophobicContact CD2-CD1 4.06Å; L48-F54 HydrophobicContact CD2-CE1 4.21Å; L48-F54 HydrophobicContact CD2-CG 4.48Å; A49-F54 WeakPolarHBondContact O-CZ 3.38Å; R51-F54 HydrophobicContact CB-CD2 4.32Å; R51-F54 HydrophobicContact CB-CE1 4.25Å; R51-F54 HydrophobicContact CB-CE2 3.68Å; R51-F54 HydrophobicContact CB-CZ 3.63Å; R51-F54 HydrophobicContact CG-CE1 4.21Å; R51-F54 HydrophobicContact CG-CE2 4.46Å; R51-F54 HydrophobicContact CG-CZ 3.91Å; F54-I56 HydrophobicContact CB-CD1 4.18Å; F54-I56 HydrophobicContact CB-CG1 4.23Å; F54-P105 WeakPolarHBondContact O-CA 3.38Å; F54-I106 HydrophobicContact CB-CB 4.47Å; F54-I106 PolarHBondContact N-O 3.14Å; F54-I106 PolarHBondContact O-N 2.95Å; F54-L108 HydrophobicContact CD2-CD1 3.63Å; F54-L108 HydrophobicContact CE2-CD1 3.91Å; F54-L108 HydrophobicContact CE2-CD2 3.97Å; F54-L138 HydrophobicContact CD1-CD1 4.18Å
55	V	94.1	Very high	91.6	Very high	11 Å²	11	44 Å²	44	7%	0.067	23%	0.226	C	C	.	.			trans	-119.5	110.1	168.7	-174.2	0	0	0	0	106.8	T102 P105 L138 V139 F142	V55-T102 HydrophobicContact CG1-CG2 3.72Å; V55-P105 HydrophobicContact CG2-CB 3.93Å; V55-P105 HydrophobicContact CG2-CG 3.97Å; V55-L138 WeakPolarHBondContact O-CD1 3.25Å; V55-V139 HydrophobicContact CB-CB 4.44Å; V55-V139 HydrophobicContact CG1-CB 4.12Å; V55-V139 HydrophobicContact CG1-CG2 4.13Å; V55-V139 PolarHBondContact O-N 2.98Å; V55-F142 HydrophobicContact CB-CB 4.44Å; V55-F142 HydrophobicContact CB-CD1 4.41Å; V55-F142 HydrophobicContact CB-CG 4.23Å; V55-F142 HydrophobicContact CG1-CB 4.37Å; V55-F142 HydrophobicContact CG1-CD1 4.22Å; V55-F142 HydrophobicContact CG1-CD2 3.68Å; V55-F142 HydrophobicContact CG1-CE1 4.39Å; V55-F142 HydrophobicContact CG1-CE2 3.9Å; V55-F142 HydrophobicContact CG1-CG 3.83Å; V55-F142 HydrophobicContact CG1-CZ 4.25Å; V55-F142 HydrophobicContact CG2-CB 4.38Å; V55-F142 HydrophobicContact CG2-CD1 3.67Å; V55-F142 HydrophobicContact CG2-CE1 4Å; V55-F142 HydrophobicContact CG2-CG 3.98Å
56	I	95.2	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.9	-169.7	-61.5	166.1	0	0	0	108.1	L28 L48 F54 V58 L103 I106 L116 A136 Q137	L28-I56 HydrophobicContact CD1-CD1 4.25Å; L28-I56 HydrophobicContact CD1-CG1 4.44Å; L28-I56 HydrophobicContact CD2-CD1 4.13Å; L28-I56 HydrophobicContact CD2-CG1 4.41Å; L28-I56 HydrophobicContact CD2-CG2 4.2Å; L48-I56 HydrophobicContact CD1-CD1 3.94Å; L48-I56 HydrophobicContact CD2-CD1 3.68Å; L48-I56 HydrophobicContact CG-CD1 4.48Å; F54-I56 HydrophobicContact CB-CD1 4.18Å; F54-I56 HydrophobicContact CB-CG1 4.23Å; I56-V58 HydrophobicContact CG2-CG2 4.26Å; I56-L103 HydrophobicContact CB-CD1 4.18Å; I56-L103 HydrophobicContact CG2-CD1 4.29Å; I56-L103 WeakPolarHBondContact O-CB 3.48Å; I56-L103 WeakPolarHBondContact O-CG 3.33Å; I56-L103 PolarHBondContact O-N 2.93Å; I56-I106 HydrophobicContact CD1-CD1 4.21Å; I56-L116 HydrophobicContact CD1-CD2 3.75Å; I56-L116 HydrophobicContact CG2-CD2 4.14Å; I56-A136 HydrophobicContact CG2-CB 4.21Å; I56-Q137 CarbonylContact C-O 3.57Å; I56-Q137 WeakPolarHBondContact CA-O 3.45Å
57	R	95.6	Very high	90.2	Very high	23 Å²	23	48.8 Å²	48.8	9%	0.087	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.2	171.7	-170.1	175.8	179.7	136.5	8	109.3	H59 S100 R101 Q137 V139 E158 P159	R57-H59 WeakPolarHBondContact CD-NE2 3.43Å; R57-H59 VanDerWaalsContact CG-NE2 3.34Å; R57-H59 WeakPolarHBondContact CG-NE2 3.33Å; R57-H59 PolarHBondContact NE-CE1 3.19Å; R57-H59 PolarHBondContact NE-NE2 3.46Å; R57-S100 PolarHBondContact NE-OG 3.12Å; R57-S100 VanDerWaalsContact NE-OG 3.14Å; R57-S100 PolarHBondContact NH2-OG 3.17Å; R57-R101 WeakPolarHBondContact CA-O 3.24Å; R57-Q137 HydrophobicContact CB-CG 4.48Å; R57-Q137 PolarHBondContact N-O 2.96Å; R57-Q137 PolarHBondContact O-N 3.43Å; R57-V139 HydrophobicContact CB-CG2 3.62Å; R57-E158 PolarHBondContact NH2-O 3.37Å; R57-P159 PolarHBondContact NH2-O 3.45Å; R57-P159 VanDerWaalsContact NH2-O 3.09Å
58	V	96.5	Very high	89.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119	177.8	-179.1	0	0	0	0	108.3	I56 V60 I75 F84 S100 R101 L103 L134 L135 A136	I56-V58 HydrophobicContact CG2-CG2 4.26Å; V58-V60 HydrophobicContact CG1-CG2 4.36Å; V58-I75 HydrophobicContact CB-CD1 3.79Å; V58-I75 HydrophobicContact CG1-CD1 3.98Å; V58-I75 HydrophobicContact CG2-CD1 3.78Å; V58-F84 HydrophobicContact CG1-CZ 4.49Å; V58-S100 CarbonylContact O-C 3.53Å; V58-S100 WeakPolarHBondContact O-CA 3.47Å; V58-S100 WeakPolarHBondContact O-CB 3.32Å; V58-R101 PolarHBondContact N-O 3.42Å; V58-R101 PolarHBondContact O-N 3.47Å; V58-L103 HydrophobicContact CG2-CD1 4.24Å; V58-L103 HydrophobicContact CG2-CG 4.45Å; V58-L134 HydrophobicContact CG1-CD1 3.61Å; V58-L135 WeakPolarHBondContact CA-O 3.39Å; V58-A136 HydrophobicContact CG2-CB 4.13Å
59	H	96.1	Very high	89.3	Confident	31 Å²	31	54 Å²	54	14%	0.144	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.6	173.3	-62.9	-108.6	0	0	0	108.9	R57 S100 L134 L135 Q137 E158	R57-H59 WeakPolarHBondContact CD-NE2 3.43Å; R57-H59 VanDerWaalsContact CG-NE2 3.34Å; R57-H59 WeakPolarHBondContact CG-NE2 3.33Å; R57-H59 PolarHBondContact NE-CE1 3.19Å; R57-H59 PolarHBondContact NE-NE2 3.46Å; H59-S100 VanDerWaalsContact CE1-CB 3.5Å; H59-S100 WeakPolarHBondContact CE1-CB 3.44Å; H59-S100 PolarHBondContact CE1-OG 3.48Å; H59-S100 VanDerWaalsContact CG-CB 3.47Å; H59-S100 WeakPolarHBondContact ND1-CB 3.32Å; H59-S100 PolarHBondContact ND1-OG 3.01Å; H59-L134 WeakPolarHBondContact O-CA 3.14Å; H59-L135 HydrophobicContact CB-CB 4.36Å; H59-L135 PolarHBondContact N-O 3Å; H59-L135 PolarHBondContact O-N 3.12Å; H59-Q137 PolarHBondContact CD2-NE2 2.67Å; H59-Q137 PolarHBondContact NE2-NE2 2.84Å; H59-E158 IonicContact CE1-OE1 2.74Å; H59-E158 IonicContact ND1-OE1 2.7Å; H59-E158 PolarHBondContact ND1-OE1 2.94Å
60	V	96.1	Very high	89.3	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122	169.8	178.9	0	0	0	0	108.5	V58 V73 F84 A86 V99 L120 M133 L134	V58-V60 HydrophobicContact CG1-CG2 4.36Å; V60-V73 HydrophobicContact CB-CG2 4.16Å; V60-V73 HydrophobicContact CG1-CG2 4.1Å; V60-V73 HydrophobicContact CG2-CG1 4.15Å; V60-V73 HydrophobicContact CG2-CG2 3.8Å; V60-F84 HydrophobicContact CB-CE2 4.3Å; V60-F84 HydrophobicContact CG2-CE2 4.29Å; V60-F84 HydrophobicContact CG2-CZ 4.31Å; V60-A86 HydrophobicContact CG1-CB 3.99Å; V60-V99 PolarHBondContact N-O 3.46Å; V60-V99 PolarHBondContact O-N 3.29Å; V60-L120 HydrophobicContact CG2-CD2 4.44Å; V60-M133 CarbonylContact C-O 3.54Å; V60-M133 VanDerWaalsContact CA-O 3.3Å; V60-M133 WeakPolarHBondContact CA-O 3.43Å; V60-L134 HydrophobicContact CG2-CD1 3.7Å
61	A	93.9	Very high	89.5	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.1	171.8	0	0	0	0	0	109.4	N98 Y132 M133	A61-N98 WeakPolarHBondContact CB-OD1 3.45Å; A61-Y132 CarbonylContact O-C 3.58Å; A61-Y132 WeakPolarHBondContact O-CA 3.44Å; A61-M133 HydrophobicContact CB-CB 4.27Å; A61-M133 HydrophobicContact CB-CE 4.07Å; A61-M133 PolarHBondContact N-O 3.18Å; A61-M133 PolarHBondContact O-N 3.3Å
62	N	92.6	Very high	89.8	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.8	165.7	-175.2	-24.1	0	0	0	108	N64 P65 Y69 I71 A86 P87 G97 V130	N62-N64 VanDerWaalsContact C-N 3.31Å; N62-N64 PolarHBondContact OD1-N 3.14Å; N62-N64 PolarHBondContact OD1-O 2.98Å; N62-P65 WeakPolarHBondContact O-CD 3.39Å; N62-Y69 PolarHBondContact ND2-O 3.2Å; N62-Y69 VanDerWaalsContact ND2-O 3.16Å; N62-I71 HydrophobicContact CB-CD1 3.85Å; N62-A86 HydrophobicContact CB-CB 4.24Å; N62-A86 PolarHBondContact ND2-O 2.87Å; N62-P87 WeakPolarHBondContact ND2-CD 3.35Å; N62-G97 PolarHBondContact N-O 3.28Å; N62-V130 WeakPolarHBondContact OD1-CG1 3.36Å
63	Y	89.5	Confident	90.2	Very high	124 Å²	124	38.3 Å²	38.3	49%	0.486	19%	0.19	S	C	.	.	S	Bend	trans	-75.6	-19.9	-178.3	-71.2	-67.7	0	0	0	113.5	P65 R131 M133	Y63-P65 WeakPolarHBondContact O-CD 3.48Å; Y63-R131 HydrophobicContact CD2-CB 3.99Å; Y63-R131 HydrophobicContact CG-CB 4.47Å; Y63-R131 PolarHBondContact N-O 2.72Å; Y63-M133 HydrophobicContact CE2-CB 3.88Å
64	N	85.8	Confident	90.4	Very high	88 Å²	88	37.3 Å²	37.3	47%	0.471	19%	0.186	S	C	.	.	S	Bend	trans	-119.3	59.3	176.4	-67.3	6.2	0	0	0	110	N62 K66	N62-N64 VanDerWaalsContact C-N 3.31Å; N62-N64 PolarHBondContact OD1-N 3.14Å; N62-N64 PolarHBondContact OD1-O 2.98Å; N64-K66 PolarHBondContact O-N 3.1Å
65	P	80.9	Confident	90.5	Very high	28 Å²	28	36.9 Å²	36.9	18%	0.182	19%	0.185	C	C	.	.			trans	-67.9	111.9	-169.6	28.8	-33.5	0	0	0	110.6	N62 Y63 P87 I264	N62-P65 WeakPolarHBondContact O-CD 3.39Å; Y63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-P87 HydrophobicContact CB-CB 3.97Å; P65-P87 HydrophobicContact CB-CG 4.15Å; P65-I264 HydrophobicContact CB-CG2 4.36Å; P65-I264 HydrophobicContact CG-CG2 3.75Å; P65-I264 WeakPolarHBondContact O-CD1 3.36Å
66	K	82	Confident	90.4	Very high	101 Å²	101	40 Å²	40	44%	0.439	20%	0.197	S	C	.	.			trans	-131.4	147.1	167.1	-57.5	-156.8	-169.7	-171.3	0	109.9	N64 D68 Y69 P87	N64-K66 PolarHBondContact O-N 3.1Å; K66-D68 PolarHBondContact O-N 3.16Å; K66-Y69 HydrophobicContact CB-CD2 3.76Å; K66-Y69 HydrophobicContact CB-CE2 4.41Å; K66-Y69 HydrophobicContact CB-CG 4.28Å; K66-Y69 HydrophobicContact CD-CD2 3.79Å; K66-Y69 HydrophobicContact CD-CE2 3.66Å; K66-Y69 HydrophobicContact CG-CD2 3.86Å; K66-Y69 HydrophobicContact CG-CE2 4.26Å; K66-Y69 CarbonylContact O-C 3.57Å; K66-Y69 PolarHBondContact O-N 3.36Å; K66-P87 WeakPolarHBondContact O-CG 3.33Å
67	P	77.2	Confident	90.1	Very high	45 Å²	45	41.4 Å²	41.4	29%	0.292	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.3	173.8	-25.8	35.1	0	0	0	113.3	Y69 P262	P67-Y69 PolarHBondContact O-N 3.08Å; P67-P262 HydrophobicContact CG-CB 4.38Å; P67-P262 HydrophobicContact CG-CG 3.97Å
68	D	80.8	Confident	89.5	Confident	118 Å²	118	45.3 Å²	45.3	63%	0.631	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.2	178.4	-58.7	-30.6	0	0	0	114.3	K66 P70	K66-D68 PolarHBondContact O-N 3.16Å; D68-P70 WeakPolarHBondContact O-CD 3.19Å
69	Y	83.1	Confident	88.8	Confident	59 Å²	59	51.2 Å²	51.2	23%	0.231	26%	0.261	C	S	.	.	S	Bend	trans	-122.7	57.5	-172.8	-53.4	-35.1	0	0	0	112.6	N62 K66 P67 I124 Q128	N62-Y69 PolarHBondContact ND2-O 3.2Å; N62-Y69 VanDerWaalsContact ND2-O 3.16Å; K66-Y69 HydrophobicContact CB-CD2 3.76Å; K66-Y69 HydrophobicContact CB-CE2 4.41Å; K66-Y69 HydrophobicContact CB-CG 4.28Å; K66-Y69 HydrophobicContact CD-CD2 3.79Å; K66-Y69 HydrophobicContact CD-CE2 3.66Å; K66-Y69 HydrophobicContact CG-CD2 3.86Å; K66-Y69 HydrophobicContact CG-CE2 4.26Å; K66-Y69 CarbonylContact O-C 3.57Å; K66-Y69 PolarHBondContact O-N 3.36Å; P67-Y69 PolarHBondContact O-N 3.08Å; Y69-I124 HydrophobicContact CD1-CB 4.39Å; Y69-I124 HydrophobicContact CD1-CD1 3.36Å; Y69-I124 HydrophobicContact CD1-CG1 3.72Å; Y69-I124 HydrophobicContact CD2-CD1 4.29Å; Y69-I124 HydrophobicContact CE1-CD1 3.57Å; Y69-I124 HydrophobicContact CE1-CG1 3.85Å; Y69-I124 HydrophobicContact CE2-CD1 4.44Å; Y69-I124 HydrophobicContact CG-CD1 3.79Å; Y69-Q128 PolarHBondContact OH-OE1 3.34Å
70	P	89	Confident	88.3	Confident	37 Å²	37	52.7 Å²	52.7	24%	0.24	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-76.9	133	-179.7	33.2	-34.1	0	0	0	111.5	D68 Q85 N122	D68-P70 WeakPolarHBondContact O-CD 3.19Å; P70-Q85 HydrophobicContact CB-CB 4.39Å; P70-N122 PolarHBondContact O-OD1 2.99Å
71	I	92.6	Very high	88	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.4	162.4	-55	164.3	0	0	0	106.9	N62 V73 Q85 A86 L120 S121 V130 Y132	N62-I71 HydrophobicContact CB-CD1 3.85Å; I71-V73 HydrophobicContact CG2-CG2 4.39Å; I71-Q85 CarbonylContact O-C 3.55Å; I71-Q85 VanDerWaalsContact O-CA 3.24Å; I71-Q85 WeakPolarHBondContact O-CA 3.48Å; I71-A86 HydrophobicContact CB-CB 4.47Å; I71-A86 PolarHBondContact N-O 2.84Å; I71-A86 PolarHBondContact O-N 3.45Å; I71-L120 HydrophobicContact CG2-CB 4.38Å; I71-L120 HydrophobicContact CG2-CD2 4.11Å; I71-S121 CarbonylContact C-O 3.57Å; I71-S121 WeakPolarHBondContact CA-O 3.49Å; I71-V130 HydrophobicContact CD1-CG1 3.87Å; I71-V130 HydrophobicContact CG1-CG1 3.91Å; I71-Y132 HydrophobicContact CD1-CG 4.46Å
72	L	93.6	Very high	88	Confident	76 Å²	76	58.7 Å²	58.7	40%	0.398	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.1	169.7	175.3	64	0	0	0	109	V74 L120 S121	L72-V74 HydrophobicContact CD1-CG2 4.4Å; L72-V74 HydrophobicContact CD2-CG2 4.29Å; L72-V74 HydrophobicContact CG-CG2 4.03Å; L72-L120 WeakPolarHBondContact O-CA 3.45Å; L72-S121 PolarHBondContact N-O 2.81Å; L72-S121 PolarHBondContact O-N 2.78Å
73	V	95.5	Very high	88	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.9	177.1	-170.2	0	0	0	0	107.9	V60 I71 I75 S83 F84 V118 E119 L120	V60-V73 HydrophobicContact CB-CG2 4.16Å; V60-V73 HydrophobicContact CG1-CG2 4.1Å; V60-V73 HydrophobicContact CG2-CG1 4.15Å; V60-V73 HydrophobicContact CG2-CG2 3.8Å; I71-V73 HydrophobicContact CG2-CG2 4.39Å; V73-I75 HydrophobicContact CG1-CG1 4.17Å; V73-S83 CarbonylContact O-C 3.58Å; V73-S83 WeakPolarHBondContact O-CA 3.33Å; V73-S83 VanDerWaalsContact O-CB 3.3Å; V73-S83 WeakPolarHBondContact O-CB 3.33Å; V73-F84 HydrophobicContact CB-CD1 4.45Å; V73-F84 HydrophobicContact CB-CD2 4.11Å; V73-F84 HydrophobicContact CB-CE1 4.29Å; V73-F84 HydrophobicContact CB-CE2 3.92Å; V73-F84 HydrophobicContact CB-CG 4.38Å; V73-F84 HydrophobicContact CB-CZ 4.02Å; V73-F84 WeakPolarHBondContact CB-O 3.46Å; V73-F84 HydrophobicContact CG1-CE1 4.04Å; V73-F84 HydrophobicContact CG1-CE2 4.18Å; V73-F84 HydrophobicContact CG1-CZ 3.79Å; V73-F84 HydrophobicContact CG2-CD2 4.01Å; V73-F84 HydrophobicContact CG2-CE2 3.69Å; V73-F84 HydrophobicContact CG2-CZ 4.18Å; V73-F84 PolarHBondContact N-O 2.83Å; V73-F84 PolarHBondContact O-N 3.04Å; V73-V118 HydrophobicContact CG1-CG1 3.93Å; V73-E119 WeakPolarHBondContact CA-O 3.5Å; V73-L120 HydrophobicContact CB-CD2 4.17Å; V73-L120 HydrophobicContact CG1-CD2 3.91Å; V73-L120 HydrophobicContact CG2-CD2 3.8Å
74	V	95.4	Very high	88.3	Confident	26 Å²	26	57 Å²	57	16%	0.158	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.8	175.4	-174.7	0	0	0	0	109.2	L72 K76 V81 E119	L72-V74 HydrophobicContact CD1-CG2 4.4Å; L72-V74 HydrophobicContact CD2-CG2 4.29Å; L72-V74 HydrophobicContact CG-CG2 4.03Å; V74-K76 HydrophobicContact CG1-CG 4.18Å; V74-V81 HydrophobicContact CG1-CG1 4.02Å; V74-E119 HydrophobicContact CB-CB 4.33Å; V74-E119 PolarHBondContact N-O 3.22Å; V74-E119 PolarHBondContact O-N 2.98Å
75	I	94.9	Very high	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.4	-179.3	-54.7	179.8	0	0	0	108	V58 V73 Q77 V81 M82 F84 L103 L116 T117 V118	V58-I75 HydrophobicContact CB-CD1 3.79Å; V58-I75 HydrophobicContact CG1-CD1 3.98Å; V58-I75 HydrophobicContact CG2-CD1 3.78Å; V73-I75 HydrophobicContact CG1-CG1 4.17Å; I75-Q77 HydrophobicContact CG2-CG 4.43Å; I75-V81 WeakPolarHBondContact O-CA 3.25Å; I75-M82 HydrophobicContact CB-CG 3.97Å; I75-M82 HydrophobicContact CD1-CG 4.4Å; I75-M82 PolarHBondContact N-O 3.32Å; I75-M82 PolarHBondContact O-N 3.34Å; I75-F84 HydrophobicContact CD1-CE1 3.77Å; I75-L103 HydrophobicContact CD1-CD2 3.85Å; I75-L103 HydrophobicContact CG2-CD1 3.95Å; I75-L103 HydrophobicContact CG2-CD2 4.04Å; I75-L116 HydrophobicContact CG2-CD1 3.54Å; I75-T117 CarbonylContact C-O 3.59Å; I75-T117 WeakPolarHBondContact CA-O 3.5Å; I75-V118 HydrophobicContact CG1-CG1 4.38Å; I75-V118 HydrophobicContact CG1-CG2 4.29Å; I75-V118 HydrophobicContact CG2-CG2 4.44Å
76	K	92.1	Very high	89.2	Confident	75 Å²	75	55.7 Å²	55.7	33%	0.326	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.9	-179.8	-52.3	171.1	-168.7	164.7	0	109	V74 V81 T117 E119	V74-K76 HydrophobicContact CG1-CG 4.18Å; K76-V81 HydrophobicContact CG-CG1 4.35Å; K76-T117 HydrophobicContact CD-CG2 4.23Å; K76-T117 PolarHBondContact N-O 2.82Å; K76-T117 PolarHBondContact O-N 3.07Å; K76-E119 VanDerWaalsContact CE-OE2 3.24Å; K76-E119 WeakPolarHBondContact CE-OE2 3.02Å; K76-E119 IonicContact NZ-OE2 2.68Å; K76-E119 PolarHBondContact NZ-OE2 2.81Å
77	Q	88.2	Confident	89.6	Confident	31 Å²	31	50.9 Å²	50.9	15%	0.145	28%	0.277	C	S	.	.			trans	-119	169.7	172.2	-43.8	-177.9	-77.7	0	0	108.2	I75 N80 I106 L116	I75-Q77 HydrophobicContact CG2-CG 4.43Å; Q77-N80 CarbonylContact C-O 3.46Å; Q77-N80 WeakPolarHBondContact CA-O 3.25Å; Q77-N80 VanDerWaalsContact CB-O 3.25Å; Q77-N80 WeakPolarHBondContact CB-O 3.3Å; Q77-N80 PolarHBondContact N-O 2.8Å; Q77-I106 VanDerWaalsContact NE2-CD1 3.31Å; Q77-L116 HydrophobicContact CG-CD1 3.83Å
78	V	82.9	Confident	90.2	Very high	104 Å²	104	49.5 Å²	49.5	63%	0.63	27%	0.267	S	S	*	.	S	Bend	trans	-62.1	-44.3	176.8	-179.5	0	0	0	0	111.6
79	D	82.7	Confident	90.6	Very high	124 Å²	124	46.1 Å²	46.1	66%	0.663	25%	0.25	S	S	*	.	S	Bend	trans	-100.5	-7.5	-172	-52.9	-45.2	0	0	0	113.8	R114	D79-R114 IonicContact OD2-CZ 3.98Å; D79-R114 IonicContact OD2-NH1 2.69Å; D79-R114 PolarHBondContact OD2-NH1 2.84Å; D79-R114 IonicContact OD2-NH2 3.11Å
80	N	85.4	Confident	90.7	Very high	62 Å²	62	43.7 Å²	43.7	33%	0.332	24%	0.241	S	C	.	.			trans	-157.9	150.6	-170.7	-172.5	30.2	0	0	0	112.1	Q77	Q77-N80 CarbonylContact C-O 3.46Å; Q77-N80 WeakPolarHBondContact CA-O 3.25Å; Q77-N80 VanDerWaalsContact CB-O 3.25Å; Q77-N80 WeakPolarHBondContact CB-O 3.3Å; Q77-N80 PolarHBondContact N-O 2.8Å
81	V	90.7	Very high	90.1	Very high	91 Å²	91	44.5 Å²	44.5	55%	0.552	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.2	171.2	-177.7	0	0	0	0	108.1	V74 I75 K76	V74-V81 HydrophobicContact CG1-CG1 4.02Å; I75-V81 WeakPolarHBondContact O-CA 3.25Å; K76-V81 HydrophobicContact CG-CG1 4.35Å
82	M	92.4	Very high	89.1	Confident	41 Å²	41	47.3 Å²	47.3	20%	0.202	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.7	174.7	69.6	179.8	-73	0	0	111.3	I75 F84 R101 L103	I75-M82 HydrophobicContact CB-CG 3.97Å; I75-M82 HydrophobicContact CD1-CG 4.4Å; I75-M82 PolarHBondContact N-O 3.32Å; I75-M82 PolarHBondContact O-N 3.34Å; M82-F84 HydrophobicContact CE-CD1 4.47Å; M82-R101 HydrophobicContact CE-CB 3.77Å; M82-R101 HydrophobicContact CE-CG 3.98Å; M82-L103 HydrophobicContact CG-CD2 4.29Å; M82-L103 HydrophobicContact SD-CD2 3.34Å; M82-L103 WeakPolarHBondContact SD-CD2 3.42Å
83	S	94	Very high	88.1	Confident	78 Å²	78	47.7 Å²	47.7	55%	0.545	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.7	178.8	57	0	0	0	0	112.2	V73	V73-S83 CarbonylContact O-C 3.58Å; V73-S83 WeakPolarHBondContact O-CA 3.33Å; V73-S83 VanDerWaalsContact O-CB 3.3Å; V73-S83 WeakPolarHBondContact O-CB 3.33Å
84	F	94.4	Very high	87.5	Confident	12 Å²	12	48 Å²	48	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	169.4	172.1	60.2	-93.9	0	0	0	110.1	V58 V60 V73 I75 M82 V99 R101	V58-F84 HydrophobicContact CG1-CZ 4.49Å; V60-F84 HydrophobicContact CB-CE2 4.3Å; V60-F84 HydrophobicContact CG2-CE2 4.29Å; V60-F84 HydrophobicContact CG2-CZ 4.31Å; V73-F84 HydrophobicContact CB-CD1 4.45Å; V73-F84 HydrophobicContact CB-CD2 4.11Å; V73-F84 HydrophobicContact CB-CE1 4.29Å; V73-F84 HydrophobicContact CB-CE2 3.92Å; V73-F84 HydrophobicContact CB-CG 4.38Å; V73-F84 HydrophobicContact CB-CZ 4.02Å; V73-F84 WeakPolarHBondContact CB-O 3.46Å; V73-F84 HydrophobicContact CG1-CE1 4.04Å; V73-F84 HydrophobicContact CG1-CE2 4.18Å; V73-F84 HydrophobicContact CG1-CZ 3.79Å; V73-F84 HydrophobicContact CG2-CD2 4.01Å; V73-F84 HydrophobicContact CG2-CE2 3.69Å; V73-F84 HydrophobicContact CG2-CZ 4.18Å; V73-F84 PolarHBondContact N-O 2.83Å; V73-F84 PolarHBondContact O-N 3.04Å; I75-F84 HydrophobicContact CD1-CE1 3.77Å; M82-F84 HydrophobicContact CE-CD1 4.47Å; F84-V99 HydrophobicContact CD2-CB 4.22Å; F84-V99 HydrophobicContact CD2-CG1 3.59Å; F84-V99 HydrophobicContact CE2-CB 4.12Å; F84-V99 HydrophobicContact CE2-CG1 3.83Å; F84-V99 HydrophobicContact CG-CG1 4.42Å; F84-R101 HydrophobicContact CD1-CB 4.38Å; F84-R101 HydrophobicContact CD1-CG 3.71Å; F84-R101 HydrophobicContact CE1-CB 4.01Å; F84-R101 HydrophobicContact CE1-CG 3.75Å; F84-R101 HydrophobicContact CG-CG 4.27Å; F84-R101 HydrophobicContact CZ-CG 4.35Å
85	Q	93.1	Very high	87.1	Confident	89 Å²	89	46.7 Å²	46.7	42%	0.416	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148	-179.6	64.5	-177.5	48.2	0	0	112.1	P70 I71 P87 M88	P70-Q85 HydrophobicContact CB-CB 4.39Å; I71-Q85 CarbonylContact O-C 3.55Å; I71-Q85 VanDerWaalsContact O-CA 3.24Å; I71-Q85 WeakPolarHBondContact O-CA 3.48Å; Q85-P87 CarbonylContact O-C 3.53Å; Q85-M88 PolarHBondContact O-N 2.96Å
86	A	92.6	Very high	86.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.1	173.9	0	0	0	0	0	110.6	V60 N62 I71 V99	V60-A86 HydrophobicContact CG1-CB 3.99Å; N62-A86 HydrophobicContact CB-CB 4.24Å; N62-A86 PolarHBondContact ND2-O 2.87Å; I71-A86 HydrophobicContact CB-CB 4.47Å; I71-A86 PolarHBondContact N-O 2.84Å; I71-A86 PolarHBondContact O-N 3.45Å; A86-V99 HydrophobicContact CB-CB 4.43Å; A86-V99 HydrophobicContact CB-CG2 3.88Å
87	P	91.3	Very high	86.8	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.248	C	C	.	.	S	Bend	cis	-72.5	147.6	8.2	30.4	-36.5	0	0	0	113.8	N62 P65 K66 Q85 A95 Y96	N62-P87 WeakPolarHBondContact ND2-CD 3.35Å; P65-P87 HydrophobicContact CB-CB 3.97Å; P65-P87 HydrophobicContact CB-CG 4.15Å; K66-P87 WeakPolarHBondContact O-CG 3.33Å; Q85-P87 CarbonylContact O-C 3.53Å; P87-A95 HydrophobicContact CB-CB 4.33Å; P87-Y96 CarbonylContact C-O 3.58Å; P87-Y96 WeakPolarHBondContact CA-O 3.26Å; P87-Y96 VanDerWaalsContact CB-O 3.25Å; P87-Y96 WeakPolarHBondContact CB-O 3.45Å
88	M	90.5	Very high	87	Confident	15 Å²	15	44.9 Å²	44.9	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.2	169.3	-164.9	171	100.6	0	0	108.6	Q85 L90 A95 Y96 V99 P156 A157	Q85-M88 PolarHBondContact O-N 2.96Å; M88-L90 HydrophobicContact CE-CD1 3.78Å; M88-L90 HydrophobicContact CE-CD2 3.74Å; M88-L90 HydrophobicContact CE-CG 3.76Å; M88-A95 WeakPolarHBondContact O-CA 3.33Å; M88-Y96 PolarHBondContact N-O 3.07Å; M88-Y96 PolarHBondContact O-N 3.08Å; M88-V99 HydrophobicContact CB-CG1 4.18Å; M88-V99 HydrophobicContact CB-CG2 3.67Å; M88-V99 HydrophobicContact SD-CG1 4.14Å; M88-P156 WeakPolarHBondContact CE-O 3.41Å; M88-A157 HydrophobicContact CB-CB 4.19Å; M88-A157 HydrophobicContact CE-CB 4.11Å; M88-A157 HydrophobicContact SD-CB 4.48Å
89	V	87.8	Confident	87.6	Confident	47 Å²	47	40 Å²	40	29%	0.285	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.2	176.9	-177.2	0	0	0	0	108.4	S94 A95 P262	V89-S94 CarbonylContact C-O 3.37Å; V89-S94 WeakPolarHBondContact CA-O 3.47Å; V89-A95 HydrophobicContact CG2-CB 4.24Å; V89-P262 HydrophobicContact CG1-CB 4.28Å; V89-P262 HydrophobicContact CG1-CG 4.12Å
90	L	85.2	Confident	88.2	Confident	9 Å²	9	34.1 Å²	34.1	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.1	-178.2	-80.7	173.9	0	0	0	110.3	M88 S92 I93 S94 Y96 P156 P237	M88-L90 HydrophobicContact CE-CD1 3.78Å; M88-L90 HydrophobicContact CE-CD2 3.74Å; M88-L90 HydrophobicContact CE-CG 3.76Å; L90-S92 PolarHBondContact O-N 3.42Å; L90-S92 VanDerWaalsContact O-N 3.11Å; L90-I93 PolarHBondContact O-N 2.89Å; L90-S94 PolarHBondContact N-O 2.92Å; L90-S94 PolarHBondContact O-N 3.49Å; L90-S94 PolarHBondContact O-OG 3Å; L90-Y96 HydrophobicContact CD1-CD2 4.19Å; L90-Y96 HydrophobicContact CD1-CE2 3.99Å; L90-P156 HydrophobicContact CD1-CB 3.52Å; L90-P237 HydrophobicContact CB-CB 3.92Å; L90-P237 HydrophobicContact CB-CG 4.12Å; L90-P237 HydrophobicContact CD1-CB 4.1Å; L90-P237 HydrophobicContact CD1-CG 4.46Å
91	N	75.8	Confident	88.6	Confident	54 Å²	54	32 Å²	32	29%	0.289	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	29.3	-179.3	-59.7	10.8	0	0	0	114.1	I93	N91-I93 HydrophobicContact CB-CD1 4.21Å; N91-I93 VanDerWaalsContact O-CG1 3.29Å; N91-I93 WeakPolarHBondContact O-CG1 3.49Å; N91-I93 PolarHBondContact O-N 3.3Å
92	S	72.3	Confident	88.8	Confident	58 Å²	58	28 Å²	28	41%	0.406	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-0	-173.4	-55.2	0	0	0	0	116	L90 D254 P262	L90-S92 PolarHBondContact O-N 3.42Å; L90-S92 VanDerWaalsContact O-N 3.11Å; S92-D254 VanDerWaalsContact CB-OD1 3.29Å; S92-D254 WeakPolarHBondContact CB-OD1 3.36Å; S92-D254 PolarHBondContact OG-OD1 3.02Å; S92-P262 WeakPolarHBondContact O-CG 3.48Å
93	I	73.9	Confident	88.8	Confident	84 Å²	84	26.1 Å²	26.1	43%	0.431	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-32.9	-174.4	-68.1	154.3	0	0	0	111.6	L90 N91 Q263	L90-I93 PolarHBondContact O-N 2.89Å; N91-I93 HydrophobicContact CB-CD1 4.21Å; N91-I93 VanDerWaalsContact O-CG1 3.29Å; N91-I93 WeakPolarHBondContact O-CG1 3.49Å; N91-I93 PolarHBondContact O-N 3.3Å; I93-Q263 PolarHBondContact O-N 3.45Å
94	S	82.3	Confident	88.7	Confident	6 Å²	6	23.4 Å²	23.4	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.8	-169.5	59.1	0	0	0	0	112.7	V89 L90 Q263 N265	V89-S94 CarbonylContact C-O 3.37Å; V89-S94 WeakPolarHBondContact CA-O 3.47Å; L90-S94 PolarHBondContact N-O 2.92Å; L90-S94 PolarHBondContact O-N 3.49Å; L90-S94 PolarHBondContact O-OG 3Å; S94-Q263 WeakPolarHBondContact CA-O 3.27Å; S94-N265 WeakPolarHBondContact CB-ND2 3.14Å
95	A	87.1	Confident	88.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.3	177.5	0	0	0	0	0	110.7	P87 M88 V89 P262 Q263 I264 N265	P87-A95 HydrophobicContact CB-CB 4.33Å; M88-A95 WeakPolarHBondContact O-CA 3.33Å; V89-A95 HydrophobicContact CG2-CB 4.24Å; A95-P262 HydrophobicContact CB-CB 4.24Å; A95-Q263 PolarHBondContact N-O 2.8Å; A95-I264 HydrophobicContact CB-CG1 4.48Å; A95-N265 PolarHBondContact O-N 3.3Å
96	Y	90.2	Very high	88.5	Confident	11 Å²	11	20.7 Å²	20.7	4%	0.043	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.7	-177.8	-66.8	-91	0	0	0	110.8	P87 M88 L90 P156 A157 N265	P87-Y96 CarbonylContact C-O 3.58Å; P87-Y96 WeakPolarHBondContact CA-O 3.26Å; P87-Y96 VanDerWaalsContact CB-O 3.25Å; P87-Y96 WeakPolarHBondContact CB-O 3.45Å; M88-Y96 PolarHBondContact N-O 3.07Å; M88-Y96 PolarHBondContact O-N 3.08Å; L90-Y96 HydrophobicContact CD1-CD2 4.19Å; L90-Y96 HydrophobicContact CD1-CE2 3.99Å; Y96-P156 HydrophobicContact CE1-CG 4.34Å; Y96-P156 HydrophobicContact CE2-CB 4.13Å; Y96-P156 HydrophobicContact CE2-CG 4.38Å; Y96-A157 VanDerWaalsContact CB-CB 3.47Å; Y96-A157 HydrophobicContact CD2-CB 4.23Å; Y96-A157 HydrophobicContact CG-CB 3.86Å; Y96-N265 HydrophobicContact CD1-CB 3.84Å; Y96-N265 HydrophobicContact CE1-CB 3.59Å; Y96-N265 HydrophobicContact CG-CB 4.49Å; Y96-N265 PolarHBondContact OH-ND2 3.5Å
97	G	89.6	Confident	88.3	Confident	4 Å²	4	27.2 Å²	27.2	4%	0.041	15%	0.146	C	C	.	.	S	Bend	trans	-69.4	-31	-179.7	0	0	0	0	0	114.6	N62	N62-G97 PolarHBondContact N-O 3.28Å
98	N	93.1	Very high	88.3	Confident	53 Å²	53	27.8 Å²	27.8	28%	0.283	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.7	173.2	-68.8	16	0	0	0	109.2	A61 A157	A61-N98 WeakPolarHBondContact CB-OD1 3.45Å; N98-A157 WeakPolarHBondContact O-CB 3.2Å
99	V	94.5	Very high	88.1	Confident	1 Å²	1	33 Å²	33	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.6	179.6	-170.8	0	0	0	0	108.2	V60 F84 A86 M88 A157	V60-V99 PolarHBondContact N-O 3.46Å; V60-V99 PolarHBondContact O-N 3.29Å; F84-V99 HydrophobicContact CD2-CB 4.22Å; F84-V99 HydrophobicContact CD2-CG1 3.59Å; F84-V99 HydrophobicContact CE2-CB 4.12Å; F84-V99 HydrophobicContact CE2-CG1 3.83Å; F84-V99 HydrophobicContact CG-CG1 4.42Å; A86-V99 HydrophobicContact CB-CB 4.43Å; A86-V99 HydrophobicContact CB-CG2 3.88Å; M88-V99 HydrophobicContact CB-CG1 4.18Å; M88-V99 HydrophobicContact CB-CG2 3.67Å; M88-V99 HydrophobicContact SD-CG1 4.14Å; V99-A157 WeakPolarHBondContact CA-O 3.36Å; V99-A157 HydrophobicContact CG2-CB 4.41Å
100	S	94.9	Very high	88	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144	175.8	67.3	0	0	0	0	113.7	R57 V58 H59 A157 E158	R57-S100 PolarHBondContact NE-OG 3.12Å; R57-S100 VanDerWaalsContact NE-OG 3.14Å; R57-S100 PolarHBondContact NH2-OG 3.17Å; V58-S100 CarbonylContact O-C 3.53Å; V58-S100 WeakPolarHBondContact O-CA 3.47Å; V58-S100 WeakPolarHBondContact O-CB 3.32Å; H59-S100 VanDerWaalsContact CE1-CB 3.5Å; H59-S100 WeakPolarHBondContact CE1-CB 3.44Å; H59-S100 PolarHBondContact CE1-OG 3.48Å; H59-S100 VanDerWaalsContact CG-CB 3.47Å; H59-S100 WeakPolarHBondContact ND1-CB 3.32Å; H59-S100 PolarHBondContact ND1-OG 3.01Å; S100-A157 PolarHBondContact N-O 3.21Å; S100-E158 WeakPolarHBondContact CB-OE1 3.28Å; S100-E158 VanDerWaalsContact OG-CB 3.28Å; S100-E158 WeakPolarHBondContact OG-CB 3.26Å; S100-E158 VanDerWaalsContact OG-CG 3.28Å; S100-E158 WeakPolarHBondContact OG-CG 3.13Å; S100-E158 PolarHBondContact OG-OE1 3.21Å
101	R	94.9	Very high	88.1	Confident	18 Å²	18	40.7 Å²	40.7	7%	0.068	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.7	-176.6	-64.8	-60.8	-174.3	104.9	18.3	111.5	R57 V58 M82 F84 D198	R57-R101 WeakPolarHBondContact CA-O 3.24Å; V58-R101 PolarHBondContact N-O 3.42Å; V58-R101 PolarHBondContact O-N 3.47Å; M82-R101 HydrophobicContact CE-CB 3.77Å; M82-R101 HydrophobicContact CE-CG 3.98Å; F84-R101 HydrophobicContact CD1-CB 4.38Å; F84-R101 HydrophobicContact CD1-CG 3.71Å; F84-R101 HydrophobicContact CE1-CB 4.01Å; F84-R101 HydrophobicContact CE1-CG 3.75Å; F84-R101 HydrophobicContact CG-CG 4.27Å; F84-R101 HydrophobicContact CZ-CG 4.35Å; R101-D198 VanDerWaalsContact CD-OD2 3.22Å; R101-D198 WeakPolarHBondContact CD-OD2 3.38Å; R101-D198 IonicContact CZ-OD1 2.88Å; R101-D198 IonicContact CZ-OD2 3.7Å; R101-D198 IonicContact NE-OD2 2.73Å; R101-D198 VanDerWaalsContact NH1-CG 3.31Å; R101-D198 IonicContact NH1-OD1 3.24Å; R101-D198 PolarHBondContact NH1-OD1 2.74Å; R101-D198 IonicContact NH1-OD2 3.93Å; R101-D198 PolarHBondContact NH1-OD2 2.77Å; R101-D198 VanDerWaalsContact NH1-OD2 3.1Å
102	T	94.5	Very high	88.7	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.7	173.7	-57.4	0	0	0	0	109.4	V55 V139 F142 Y161	V55-T102 HydrophobicContact CG1-CG2 3.72Å; T102-V139 HydrophobicContact CG2-CG2 4.2Å; T102-F142 HydrophobicContact CG2-CE2 4.47Å; T102-Y161 HydrophobicContact CG2-CE1 4.07Å; T102-Y161 HydrophobicContact CG2-CE2 4.37Å; T102-Y161 VanDerWaalsContact O-CE1 3.26Å; T102-Y161 WeakPolarHBondContact O-CE1 3.27Å; T102-Y161 PolarHBondContact O-OH 3.3Å
103	L	93.4	Very high	89.5	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-72.2	147.1	176.5	-52.9	-174.2	0	0	0	110.5	I56 V58 I75 M82 L116 Y161	I56-L103 HydrophobicContact CB-CD1 4.18Å; I56-L103 HydrophobicContact CG2-CD1 4.29Å; I56-L103 WeakPolarHBondContact O-CB 3.48Å; I56-L103 WeakPolarHBondContact O-CG 3.33Å; I56-L103 PolarHBondContact O-N 2.93Å; V58-L103 HydrophobicContact CG2-CD1 4.24Å; V58-L103 HydrophobicContact CG2-CG 4.45Å; I75-L103 HydrophobicContact CD1-CD2 3.85Å; I75-L103 HydrophobicContact CG2-CD1 3.95Å; I75-L103 HydrophobicContact CG2-CD2 4.04Å; M82-L103 HydrophobicContact CG-CD2 4.29Å; M82-L103 HydrophobicContact SD-CD2 3.34Å; M82-L103 WeakPolarHBondContact SD-CD2 3.42Å; L103-L116 HydrophobicContact CD1-CD1 3.73Å; L103-L116 HydrophobicContact CD1-CD2 3.99Å; L103-Y161 PolarHBondContact O-OH 3.27Å; L103-Y161 VanDerWaalsContact O-OH 3.13Å
104	C	91.5	Very high	90.3	Very high	21 Å²	21	40.3 Å²	40.3	14%	0.142	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-55.7	143.4	174.2	-91.8	0	0	0	0	111.3	I106 Y161 C194	C104-I106 WeakPolarHBondContact O-CG1 3.23Å; C104-I106 PolarHBondContact O-N 2.91Å; C104-I106 VanDerWaalsContact O-N 3.12Å; C104-Y161 PolarHBondContact N-OH 3.18Å; C104-C194 HydrophobicContact CB-CB 4.11Å; C104-C194 WeakPolarHBondContact CB-SG 3.44Å; C104-C194 WeakPolarHBondContact SG-CB 3.45Å; C104-C194 CovalentContact SG-SG 2.04Å; C104-C194 PolarHBondContact SG-SG 2.95Å
105	P	91.8	Very high	90.7	Very high	26 Å²	26	45.5 Å²	45.5	17%	0.169	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-56.1	116.6	-178.6	-26	34	0	0	0	112.7	E53 F54 V55 F142	E53-P105 HydrophobicContact CG-CB 4.04Å; E53-P105 WeakPolarHBondContact OE1-CB 3.41Å; F54-P105 WeakPolarHBondContact O-CA 3.38Å; V55-P105 HydrophobicContact CG2-CB 3.93Å; V55-P105 HydrophobicContact CG2-CG 3.97Å; P105-F142 HydrophobicContact CG-CE1 3.65Å; P105-F142 HydrophobicContact CG-CZ 3.94Å
106	I	91.1	Very high	91	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.092	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.1	-179.4	-43.5	171.6	0	0	0	107.7	L48 E53 F54 I56 Q77 C104 L108	L48-I106 HydrophobicContact CD1-CD1 3.57Å; E53-I106 CarbonylContact C-O 3.56Å; E53-I106 VanDerWaalsContact CA-O 3.29Å; E53-I106 WeakPolarHBondContact CA-O 3.48Å; F54-I106 HydrophobicContact CB-CB 4.47Å; F54-I106 PolarHBondContact N-O 3.14Å; F54-I106 PolarHBondContact O-N 2.95Å; I56-I106 HydrophobicContact CD1-CD1 4.21Å; Q77-I106 VanDerWaalsContact NE2-CD1 3.31Å; C104-I106 WeakPolarHBondContact O-CG1 3.23Å; C104-I106 PolarHBondContact O-N 2.91Å; C104-I106 VanDerWaalsContact O-N 3.12Å; I106-L108 HydrophobicContact CB-CD1 4.42Å; I106-L108 HydrophobicContact CG2-CD1 3.9Å
107	K	88.9	Confident	91.2	Very high	137 Å²	137	45.9 Å²	45.9	60%	0.596	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.6	176.9	-64.1	178	-178.6	178.6	0	109.8	S52 E53	S52-K107 WeakPolarHBondContact O-CA 3.33Å; E53-K107 HydrophobicContact CG-CG 4.2Å; E53-K107 WeakPolarHBondContact OE1-CE 3.28Å
108	L	89.9	Confident	91.5	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	26%	0.258	C	S	.	.			trans	-117.6	140.1	176.9	-75	72.6	0	0	0	109.3	L48 S52 F54 I106 E112 R114	L48-L108 HydrophobicContact CB-CD2 4.38Å; L48-L108 WeakPolarHBondContact O-CD2 3.39Å; S52-L108 PolarHBondContact O-N 3.48Å; F54-L108 HydrophobicContact CD2-CD1 3.63Å; F54-L108 HydrophobicContact CE2-CD1 3.91Å; F54-L108 HydrophobicContact CE2-CD2 3.97Å; I106-L108 HydrophobicContact CB-CD1 4.42Å; I106-L108 HydrophobicContact CG2-CD1 3.9Å; L108-E112 HydrophobicContact CB-CB 4.37Å; L108-R114 HydrophobicContact CD2-CB 4.39Å; L108-R114 HydrophobicContact CD2-CG 4.3Å; L108-R114 HydrophobicContact CG-CG 4.1Å
109	L	87.4	Confident	91.5	Very high	124 Å²	124	44.2 Å²	44.2	65%	0.649	25%	0.25	S	C	*	.			trans	-73.2	156.5	167.5	-77.1	80.8	0	0	0	110.2	G111 E112	L109-G111 PolarHBondContact O-N 3.44Å; L109-G111 VanDerWaalsContact O-N 3.15Å; L109-E112 HydrophobicContact CB-CB 4.25Å; L109-E112 WeakPolarHBondContact CD1-OE2 3.32Å; L109-E112 PolarHBondContact N-OE2 3.01Å; L109-E112 VanDerWaalsContact O-CB 3.24Å; L109-E112 WeakPolarHBondContact O-CB 3.31Å; L109-E112 PolarHBondContact O-N 3.31Å
110	P	86.5	Confident	91.5	Very high	136 Å²	136	44.1 Å²	44.1	88%	0.883	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	120.4	176.6	-24.4	34.7	0	0	0	111.8	E112	P110-E112 VanDerWaalsContact C-N 3.33Å
111	G	86.1	Confident	91.3	Very high	81 Å²	81	45 Å²	45	84%	0.835	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-2.9	-177.4	0	0	0	0	0	115.4	L109	L109-G111 PolarHBondContact O-N 3.44Å; L109-G111 VanDerWaalsContact O-N 3.15Å
112	E	88.1	Confident	91.1	Very high	57 Å²	57	45 Å²	45	27%	0.266	26%	0.257	S	S	.	.			trans	-70.4	143.7	170.1	-167.1	-178.2	171.5	0	0	110.2	L108 L109 P110 R114	L108-E112 HydrophobicContact CB-CB 4.37Å; L109-E112 HydrophobicContact CB-CB 4.25Å; L109-E112 WeakPolarHBondContact CD1-OE2 3.32Å; L109-E112 PolarHBondContact N-OE2 3.01Å; L109-E112 VanDerWaalsContact O-CB 3.24Å; L109-E112 WeakPolarHBondContact O-CB 3.31Å; L109-E112 PolarHBondContact O-N 3.31Å; P110-E112 VanDerWaalsContact C-N 3.33Å; E112-R114 HydrophobicContact CG-CG 4.41Å; E112-R114 IonicContact OE1-CZ 2.65Å; E112-R114 VanDerWaalsContact OE1-CZ 3.24Å; E112-R114 IonicContact OE1-NE 3.85Å; E112-R114 PolarHBondContact OE1-NE 3.32Å; E112-R114 IonicContact OE1-NH2 2.67Å; E112-R114 PolarHBondContact OE1-NH2 2.98Å; E112-R114 IonicContact OE2-NE 3.43Å
113	V	89.9	Confident	90.6	Very high	91 Å²	91	48.1 Å²	48.1	55%	0.552	28%	0.283	S	S	*	.			trans	-124.7	126.1	172.4	179.9	0	0	0	0	107.8	T47 L48 A49	T47-V113 HydrophobicContact CG2-CG1 3.67Å; L48-V113 WeakPolarHBondContact O-CA 3.39Å; A49-V113 HydrophobicContact CB-CG1 4.45Å; A49-V113 HydrophobicContact CB-CG2 4.12Å
114	R	90.8	Very high	90.2	Very high	41 Å²	41	48.5 Å²	48.5	16%	0.155	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.8	177.3	-69.6	-175.1	176.2	-143.6	-11	110.6	L48 D79 L108 E112	L48-R114 HydrophobicContact CB-CB 4.37Å; L48-R114 WeakPolarHBondContact CB-O 3.32Å; L48-R114 PolarHBondContact N-O 3.34Å; L48-R114 PolarHBondContact O-N 3.37Å; D79-R114 IonicContact OD2-CZ 3.98Å; D79-R114 IonicContact OD2-NH1 2.69Å; D79-R114 PolarHBondContact OD2-NH1 2.84Å; D79-R114 IonicContact OD2-NH2 3.11Å; L108-R114 HydrophobicContact CD2-CB 4.39Å; L108-R114 HydrophobicContact CD2-CG 4.3Å; L108-R114 HydrophobicContact CG-CG 4.1Å; E112-R114 HydrophobicContact CG-CG 4.41Å; E112-R114 IonicContact OE1-CZ 2.65Å; E112-R114 VanDerWaalsContact OE1-CZ 3.24Å; E112-R114 IonicContact OE1-NE 3.85Å; E112-R114 PolarHBondContact OE1-NE 3.32Å; E112-R114 IonicContact OE1-NH2 2.67Å; E112-R114 PolarHBondContact OE1-NH2 2.98Å; E112-R114 IonicContact OE2-NE 3.43Å
115	K	90.9	Very high	89.7	Confident	115 Å²	115	55 Å²	55	50%	0.5	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.6	171.2	-68.2	-169.1	167.7	-158.7	0	110.2
116	L	93.2	Very high	89.1	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.3	168	168.5	69.8	0	0	0	107.3	F46 L48 I56 I75 Q77 L103	F46-L116 HydrophobicContact CB-CB 4.23Å; F46-L116 HydrophobicContact CB-CD2 4.49Å; F46-L116 HydrophobicContact CD2-CD2 4.3Å; F46-L116 HydrophobicContact CD2-CG 4.31Å; F46-L116 PolarHBondContact N-O 3.48Å; F46-L116 PolarHBondContact O-N 3.45Å; L48-L116 HydrophobicContact CD1-CB 4.19Å; L48-L116 HydrophobicContact CG-CB 4.48Å; I56-L116 HydrophobicContact CD1-CD2 3.75Å; I56-L116 HydrophobicContact CG2-CD2 4.14Å; I75-L116 HydrophobicContact CG2-CD1 3.54Å; Q77-L116 HydrophobicContact CG-CD1 3.83Å; L103-L116 HydrophobicContact CD1-CD1 3.73Å; L103-L116 HydrophobicContact CD1-CD2 3.99Å
117	T	94	Very high	88.7	Confident	17 Å²	17	62.3 Å²	62.3	10%	0.104	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.8	179.8	-71.9	0	0	0	0	109.9	E43 Y44 I75 K76	E43-T117 VanDerWaalsContact CD-CG2 3.46Å; E43-T117 HydrophobicContact CG-CG2 3.38Å; E43-T117 VanDerWaalsContact OE1-CG2 3.23Å; E43-T117 WeakPolarHBondContact OE1-CG2 3.25Å; Y44-T117 CarbonylContact O-C 3.53Å; Y44-T117 WeakPolarHBondContact O-CA 3.33Å; I75-T117 CarbonylContact C-O 3.59Å; I75-T117 WeakPolarHBondContact CA-O 3.5Å; K76-T117 HydrophobicContact CD-CG2 4.23Å; K76-T117 PolarHBondContact N-O 2.82Å; K76-T117 PolarHBondContact O-N 3.07Å
118	V	95.3	Very high	88.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.2	172.5	-176.1	0	0	0	0	109	E43 Y44 F46 V73 I75 L120 L134	E43-V118 WeakPolarHBondContact CA-O 3.42Å; Y44-V118 PolarHBondContact N-O 2.83Å; Y44-V118 PolarHBondContact O-N 2.83Å; F46-V118 HydrophobicContact CD2-CG2 4.31Å; F46-V118 HydrophobicContact CE2-CB 4.24Å; F46-V118 HydrophobicContact CE2-CG2 3.78Å; V73-V118 HydrophobicContact CG1-CG1 3.93Å; I75-V118 HydrophobicContact CG1-CG1 4.38Å; I75-V118 HydrophobicContact CG1-CG2 4.29Å; I75-V118 HydrophobicContact CG2-CG2 4.44Å; V118-L120 HydrophobicContact CG1-CD2 4.39Å; V118-L134 HydrophobicContact CB-CD2 4.35Å; V118-L134 HydrophobicContact CG1-CD1 4Å; V118-L134 HydrophobicContact CG1-CD2 4.08Å
119	E	94.1	Very high	88.4	Confident	22 Å²	22	64.3 Å²	64.3	10%	0.103	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131	172.6	178.4	-179.9	169	0	0	109.8	K41 I42 V73 V74 K76	K41-E119 WeakPolarHBondContact CD-OE1 3.4Å; K41-E119 WeakPolarHBondContact CE-OE1 3.5Å; K41-E119 IonicContact NZ-OE1 2.78Å; K41-E119 PolarHBondContact NZ-OE1 2.85Å; I42-E119 CarbonylContact O-C 3.6Å; I42-E119 WeakPolarHBondContact O-CA 3.18Å; V73-E119 WeakPolarHBondContact CA-O 3.5Å; V74-E119 HydrophobicContact CB-CB 4.33Å; V74-E119 PolarHBondContact N-O 3.22Å; V74-E119 PolarHBondContact O-N 2.98Å; K76-E119 VanDerWaalsContact CE-OE2 3.24Å; K76-E119 WeakPolarHBondContact CE-OE2 3.02Å; K76-E119 IonicContact NZ-OE2 2.68Å; K76-E119 PolarHBondContact NZ-OE2 2.81Å
120	L	94.2	Very high	88.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.3	169.8	-58.3	178.9	0	0	0	109.2	I36 I42 Y44 V60 I71 L72 V73 V118 Y132 L134	I36-L120 VanDerWaalsContact CD1-C 3.48Å; I36-L120 HydrophobicContact CD1-CB 4Å; I36-L120 WeakPolarHBondContact CD1-O 3.47Å; I42-L120 PolarHBondContact N-O 3.02Å; I42-L120 VanDerWaalsContact N-O 3.12Å; I42-L120 PolarHBondContact O-N 3.12Å; Y44-L120 HydrophobicContact CE2-CD1 4.01Å; V60-L120 HydrophobicContact CG2-CD2 4.44Å; I71-L120 HydrophobicContact CG2-CB 4.38Å; I71-L120 HydrophobicContact CG2-CD2 4.11Å; L72-L120 WeakPolarHBondContact O-CA 3.45Å; V73-L120 HydrophobicContact CB-CD2 4.17Å; V73-L120 HydrophobicContact CG1-CD2 3.91Å; V73-L120 HydrophobicContact CG2-CD2 3.8Å; V118-L120 HydrophobicContact CG1-CD2 4.39Å; L120-Y132 HydrophobicContact CD1-CD2 3.61Å; L120-Y132 HydrophobicContact CD1-CE1 4.3Å; L120-Y132 HydrophobicContact CD1-CE2 3.27Å; L120-Y132 HydrophobicContact CD1-CG 4.28Å; L120-L134 HydrophobicContact CD1-CB 4.39Å; L120-L134 HydrophobicContact CD1-CD2 4.41Å
121	S	92	Very high	88.9	Confident	18 Å²	18	58.7 Å²	58.7	13%	0.126	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.2	176.6	58.9	0	0	0	0	111.5	I71 L72	I71-S121 CarbonylContact C-O 3.57Å; I71-S121 WeakPolarHBondContact CA-O 3.49Å; L72-S121 PolarHBondContact N-O 2.81Å; L72-S121 PolarHBondContact O-N 2.78Å
122	N	90	Very high	89.3	Confident	17 Å²	17	55 Å²	55	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.8	-178.7	-172.2	-10.1	0	0	0	109.4	I36 Q38 P70 I124 V130	I36-N122 HydrophobicContact CG1-CB 4.49Å; I36-N122 HydrophobicContact CG2-CB 4.12Å; Q38-N122 WeakPolarHBondContact CA-O 3.31Å; P70-N122 PolarHBondContact O-OD1 2.99Å; N122-I124 HydrophobicContact CB-CG2 4.48Å; N122-I124 WeakPolarHBondContact ND2-CG2 3.47Å; N122-I124 PolarHBondContact OD1-N 3.19Å; N122-I124 VanDerWaalsContact OD1-N 3.07Å; N122-V130 WeakPolarHBondContact ND2-CG2 3.37Å
123	A	84.1	Confident	89.6	Confident	73 Å²	73	54.6 Å²	54.6	60%	0.603	28%	0.282	S	S	*	.			trans	-101.4	0.2	176.6	0	0	0	0	0	114	K125	A123-K125 PolarHBondContact O-N 3.37Å
124	I	83.7	Confident	89.9	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.051	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67.7	126.1	-176.3	-158.1	176.3	0	0	0	112.8	Q38 Y69 N122 Q128 V130	Q38-I124 WeakPolarHBondContact CB-O 3.25Å; Q38-I124 PolarHBondContact N-O 3.31Å; Y69-I124 HydrophobicContact CD1-CB 4.39Å; Y69-I124 HydrophobicContact CD1-CD1 3.36Å; Y69-I124 HydrophobicContact CD1-CG1 3.72Å; Y69-I124 HydrophobicContact CD2-CD1 4.29Å; Y69-I124 HydrophobicContact CE1-CD1 3.57Å; Y69-I124 HydrophobicContact CE1-CG1 3.85Å; Y69-I124 HydrophobicContact CE2-CD1 4.44Å; Y69-I124 HydrophobicContact CG-CD1 3.79Å; N122-I124 HydrophobicContact CB-CG2 4.48Å; N122-I124 WeakPolarHBondContact ND2-CG2 3.47Å; N122-I124 PolarHBondContact OD1-N 3.19Å; N122-I124 VanDerWaalsContact OD1-N 3.07Å; I124-Q128 HydrophobicContact CD1-CB 3.53Å; I124-Q128 HydrophobicContact CG1-CB 3.89Å; I124-V130 HydrophobicContact CD1-CG2 4.15Å
125	K	82.3	Confident	90.2	Very high	158 Å²	158	49.7 Å²	49.7	69%	0.687	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-67.8	132.7	178.6	-73.7	177.3	179.7	176.4	0	111.2	A123 Q128	A123-K125 PolarHBondContact O-N 3.37Å; K125-Q128 PolarHBondContact O-N 3.33Å
126	P	78.8	Confident	90.5	Very high	69 Å²	69	44.2 Å²	44.2	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	149.5	169.4	-26.5	36.2	0	0	0	111.9	D39	D39-P126 HydrophobicContact CB-CG 4.37Å; D39-P126 VanDerWaalsContact OD1-CG 3.3Å; D39-P126 WeakPolarHBondContact OD1-CG 3.49Å
127	P	83.4	Confident	90.6	Very high	127 Å²	127	47.3 Å²	47.3	83%	0.825	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.1	5.7	10.4	36.4	-37.8	0	0	0	114.6
128	Q	85.2	Confident	90.6	Very high	98 Å²	98	48 Å²	48	46%	0.458	25%	0.249	S	C	.	.			trans	-69.7	141	179.2	-62.1	-178.2	-2.8	0	0	110.7	S37 Y69 I124 K125	S37-Q128 WeakPolarHBondContact CB-O 3.5Å; Y69-Q128 PolarHBondContact OH-OE1 3.34Å; I124-Q128 HydrophobicContact CD1-CB 3.53Å; I124-Q128 HydrophobicContact CG1-CB 3.89Å; K125-Q128 PolarHBondContact O-N 3.33Å
129	K	87.4	Confident	90.5	Very high	95 Å²	95	49.4 Å²	49.4	41%	0.413	26%	0.257	S	S	.	.			trans	-134.8	149.3	178.8	-62.5	-174.5	179.5	-173.8	0	110.5	E35 I36	E35-K129 HydrophobicContact CB-CB 4.19Å; E35-K129 HydrophobicContact CB-CD 3.95Å; E35-K129 WeakPolarHBondContact OE2-CD 3.3Å; I36-K129 WeakPolarHBondContact O-CA 3.36Å
130	V	89.9	Confident	90.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.1	174.5	178.5	0	0	0	0	109.5	E35 I36 N62 I71 N122 I124	E35-V130 WeakPolarHBondContact CA-O 3.26Å; I36-V130 HydrophobicContact CG2-CB 4.49Å; I36-V130 PolarHBondContact N-O 2.91Å; I36-V130 PolarHBondContact O-N 3.03Å; N62-V130 WeakPolarHBondContact OD1-CG1 3.36Å; I71-V130 HydrophobicContact CD1-CG1 3.87Å; I71-V130 HydrophobicContact CG1-CG1 3.91Å; N122-V130 WeakPolarHBondContact ND2-CG2 3.37Å; I124-V130 HydrophobicContact CD1-CG2 4.15Å
131	R	93.2	Very high	90	Very high	141 Å²	141	56.9 Å²	56.9	53%	0.532	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.4	173.5	-78.5	178.3	179.5	-174.6	-1.8	110.6	G34 E35 Y63	G34-R131 WeakPolarHBondContact O-CA 3.26Å; E35-R131 HydrophobicContact CG-CG 3.57Å; E35-R131 IonicContact OE1-CZ 3.29Å; E35-R131 VanDerWaalsContact OE1-CZ 3.29Å; E35-R131 IonicContact OE1-NE 2.67Å; E35-R131 PolarHBondContact OE1-NE 2.64Å; E35-R131 IonicContact OE1-NH2 2.92Å; E35-R131 PolarHBondContact OE1-NH2 3.49Å; Y63-R131 HydrophobicContact CD2-CB 3.99Å; Y63-R131 HydrophobicContact CG-CB 4.47Å; Y63-R131 PolarHBondContact N-O 2.72Å
132	Y	94.3	Very high	90.2	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.7	179.8	72.4	-93.3	0	0	0	113.1	N33 G34 I36 I42 Y44 A61 I71 L120 L134	N33-Y132 WeakPolarHBondContact CA-O 3.4Å; G34-Y132 VanDerWaalsContact C-CE1 3.41Å; G34-Y132 PolarHBondContact N-O 3.41Å; G34-Y132 WeakPolarHBondContact O-CD1 3.47Å; G34-Y132 PolarHBondContact O-N 3.15Å; I36-Y132 HydrophobicContact CB-CD1 4.3Å; I36-Y132 HydrophobicContact CB-CE1 4.06Å; I36-Y132 HydrophobicContact CG2-CD1 3.99Å; I36-Y132 HydrophobicContact CG2-CE1 4.24Å; I42-Y132 HydrophobicContact CD1-CE1 3.97Å; I42-Y132 WeakPolarHBondContact CD1-OH 3.36Å; Y44-Y132 HydrophobicContact CE2-CE2 4.34Å; Y44-Y132 PolarHBondContact OH-OH 3.5Å; A61-Y132 CarbonylContact O-C 3.58Å; A61-Y132 WeakPolarHBondContact O-CA 3.44Å; I71-Y132 HydrophobicContact CD1-CG 4.46Å; L120-Y132 HydrophobicContact CD1-CD2 3.61Å; L120-Y132 HydrophobicContact CD1-CE1 4.3Å; L120-Y132 HydrophobicContact CD1-CE2 3.27Å; L120-Y132 HydrophobicContact CD1-CG 4.28Å; Y132-L134 HydrophobicContact CD2-CB 4.45Å; Y132-L134 HydrophobicContact CE2-CB 4.4Å
133	M	95.7	Very high	90.4	Very high	47 Å²	47	58.8 Å²	58.8	23%	0.232	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.1	162.9	-179.3	-174.3	70.6	0	0	108.6	P31 Y32 N33 V60 A61 Y63	P31-M133 HydrophobicContact CB-CG 4.4Å; P31-M133 HydrophobicContact CB-SD 4.37Å; Y32-M133 CarbonylContact O-C 3.56Å; Y32-M133 WeakPolarHBondContact O-CA 3.15Å; N33-M133 VanDerWaalsContact OD1-CB 3.22Å; N33-M133 WeakPolarHBondContact OD1-CB 3.44Å; N33-M133 VanDerWaalsContact OD1-CG 3.32Å; N33-M133 WeakPolarHBondContact OD1-CG 3.3Å; V60-M133 CarbonylContact C-O 3.54Å; V60-M133 VanDerWaalsContact CA-O 3.3Å; V60-M133 WeakPolarHBondContact CA-O 3.43Å; A61-M133 HydrophobicContact CB-CB 4.27Å; A61-M133 HydrophobicContact CB-CE 4.07Å; A61-M133 PolarHBondContact N-O 3.18Å; A61-M133 PolarHBondContact O-N 3.3Å; Y63-M133 HydrophobicContact CE2-CB 3.88Å
134	L	96.4	Very high	90.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.9	169.6	171.2	67.5	0	0	0	108.9	Y32 Y44 F46 V58 H59 V60 V118 L120 Y132	Y32-L134 PolarHBondContact N-O 3.14Å; Y32-L134 PolarHBondContact O-N 3.4Å; Y44-L134 HydrophobicContact CD1-CD2 4.24Å; Y44-L134 HydrophobicContact CD2-CD2 3.25Å; Y44-L134 HydrophobicContact CE2-CD2 3.65Å; Y44-L134 HydrophobicContact CG-CD2 3.57Å; F46-L134 HydrophobicContact CZ-CD2 4.46Å; V58-L134 HydrophobicContact CG1-CD1 3.61Å; H59-L134 WeakPolarHBondContact O-CA 3.14Å; V60-L134 HydrophobicContact CG2-CD1 3.7Å; V118-L134 HydrophobicContact CB-CD2 4.35Å; V118-L134 HydrophobicContact CG1-CD1 4Å; V118-L134 HydrophobicContact CG1-CD2 4.08Å; L120-L134 HydrophobicContact CD1-CB 4.39Å; L120-L134 HydrophobicContact CD1-CD2 4.41Å; Y132-L134 HydrophobicContact CD2-CB 4.45Å; Y132-L134 HydrophobicContact CE2-CB 4.4Å
135	L	97	Very high	91.2	Very high	29 Å²	29	62.1 Å²	62.1	15%	0.152	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	115.1	171.3	170.6	64.7	0	0	0	108.9	E30 P31 V58 H59 Q137	E30-L135 WeakPolarHBondContact O-CD1 3.39Å; P31-L135 HydrophobicContact CB-CD1 4.46Å; V58-L135 WeakPolarHBondContact CA-O 3.39Å; H59-L135 HydrophobicContact CB-CB 4.36Å; H59-L135 PolarHBondContact N-O 3Å; H59-L135 PolarHBondContact O-N 3.12Å; L135-Q137 HydrophobicContact CD1-CB 4.28Å; L135-Q137 HydrophobicContact CD2-CG 4.47Å; L135-Q137 HydrophobicContact CG-CB 4.19Å; L135-Q137 HydrophobicContact CG-CG 4.39Å
136	A	96.3	Very high	91.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	101.1	169.1	0	0	0	0	0	108.3	L28 D29 F46 I56 V58	L28-A136 WeakPolarHBondContact CA-O 3.41Å; L28-A136 HydrophobicContact CD2-CB 4.09Å; L28-A136 WeakPolarHBondContact CD2-O 3.45Å; D29-A136 PolarHBondContact N-O 2.93Å; F46-A136 HydrophobicContact CD1-CB 4.29Å; F46-A136 HydrophobicContact CE1-CB 3.72Å; F46-A136 HydrophobicContact CE2-CB 4.09Å; F46-A136 HydrophobicContact CZ-CB 3.61Å; I56-A136 HydrophobicContact CG2-CB 4.21Å; V58-A136 HydrophobicContact CG2-CB 4.13Å
137	Q	95.4	Very high	92.2	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.313	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.6	-176.7	61.2	175.7	-7.2	0	0	112.1	D29 I56 R57 H59 L135	D29-Q137 WeakPolarHBondContact OD1-CA 3.38Å; D29-Q137 VanDerWaalsContact OD1-CB 3.27Å; D29-Q137 WeakPolarHBondContact OD1-CB 3.46Å; I56-Q137 CarbonylContact C-O 3.57Å; I56-Q137 WeakPolarHBondContact CA-O 3.45Å; R57-Q137 HydrophobicContact CB-CG 4.48Å; R57-Q137 PolarHBondContact N-O 2.96Å; R57-Q137 PolarHBondContact O-N 3.43Å; H59-Q137 PolarHBondContact CD2-NE2 2.67Å; H59-Q137 PolarHBondContact NE2-NE2 2.84Å; L135-Q137 HydrophobicContact CD1-CB 4.28Å; L135-Q137 HydrophobicContact CD2-CG 4.47Å; L135-Q137 HydrophobicContact CG-CB 4.19Å; L135-Q137 HydrophobicContact CG-CG 4.39Å
138	L	94.4	Very high	92.6	Very high	31 Å²	31	54.1 Å²	54.1	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.3	168.9	-169.8	80.8	0	0	0	109.6	D29 F54 V55 P140	D29-L138 PolarHBondContact OD1-N 3.18Å; F54-L138 HydrophobicContact CD1-CD1 4.18Å; V55-L138 WeakPolarHBondContact O-CD1 3.25Å; L138-P140 WeakPolarHBondContact O-CD 3.44Å
139	V	93.5	Very high	93	Very high	30 Å²	30	54.6 Å²	54.6	18%	0.182	28%	0.284	C	S	.	.			trans	-83.9	110.2	174.9	-177.6	0	0	0	0	109.9	V55 R57 T102 F142	V55-V139 HydrophobicContact CB-CB 4.44Å; V55-V139 HydrophobicContact CG1-CB 4.12Å; V55-V139 HydrophobicContact CG1-CG2 4.13Å; V55-V139 PolarHBondContact O-N 2.98Å; R57-V139 HydrophobicContact CB-CG2 3.62Å; T102-V139 HydrophobicContact CG2-CG2 4.2Å; V139-F142 HydrophobicContact CG1-CB 4.17Å; V139-F142 HydrophobicContact CG1-CD2 4.46Å
140	P	88.5	Confident	93.3	Very high	85 Å²	85	54 Å²	54	55%	0.552	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	147.4	169.9	31.7	-35.3	0	0	0	110.5	L138 F142	L138-P140 WeakPolarHBondContact O-CD 3.44Å; P140-F142 VanDerWaalsContact C-N 3.3Å; P140-F142 PolarHBondContact O-N 2.86Å
141	D	89.7	Confident	93.6	Very high	94 Å²	94	57.7 Å²	57.7	50%	0.503	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.6	176.5	-32.2	-44.5	0	0	0	113.8	D143 R150	D141-D143 PolarHBondContact O-N 3.49Å; D141-R150 IonicContact OD2-CZ 3.12Å; D141-R150 IonicContact OD2-NH1 2.74Å; D141-R150 PolarHBondContact OD2-NH1 2.89Å; D141-R150 IonicContact OD2-NH2 3.74Å; D141-R150 PolarHBondContact OD2-NH2 3.39Å
142	F	94.4	Very high	93.6	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.039	29%	0.286	C	S	.	.			trans	-63.2	-30.2	175.6	175.7	-109.3	0	0	0	113.1	V55 T102 P105 V139 P140 Y161 L162 R163 F230	V55-F142 HydrophobicContact CB-CB 4.44Å; V55-F142 HydrophobicContact CB-CD1 4.41Å; V55-F142 HydrophobicContact CB-CG 4.23Å; V55-F142 HydrophobicContact CG1-CB 4.37Å; V55-F142 HydrophobicContact CG1-CD1 4.22Å; V55-F142 HydrophobicContact CG1-CD2 3.68Å; V55-F142 HydrophobicContact CG1-CE1 4.39Å; V55-F142 HydrophobicContact CG1-CE2 3.9Å; V55-F142 HydrophobicContact CG1-CG 3.83Å; V55-F142 HydrophobicContact CG1-CZ 4.25Å; V55-F142 HydrophobicContact CG2-CB 4.38Å; V55-F142 HydrophobicContact CG2-CD1 3.67Å; V55-F142 HydrophobicContact CG2-CE1 4Å; V55-F142 HydrophobicContact CG2-CG 3.98Å; T102-F142 HydrophobicContact CG2-CE2 4.47Å; P105-F142 HydrophobicContact CG-CE1 3.65Å; P105-F142 HydrophobicContact CG-CZ 3.94Å; V139-F142 HydrophobicContact CG1-CB 4.17Å; V139-F142 HydrophobicContact CG1-CD2 4.46Å; P140-F142 VanDerWaalsContact C-N 3.3Å; P140-F142 PolarHBondContact O-N 2.86Å; F142-Y161 AromaticContact CE2-CD2 3.83Å; F142-Y161 HydrophobicContact CE2-CD2 3.83Å; F142-Y161 AromaticContact CE2-CE2 3.81Å; F142-Y161 HydrophobicContact CE2-CE2 3.81Å; F142-Y161 WeakPolarHBondContact CE2-O 3.46Å; F142-Y161 HydrophobicContact CZ-CD2 4.02Å; F142-Y161 AromaticContact CZ-CE2 3.8Å; F142-Y161 HydrophobicContact CZ-CE2 3.8Å; F142-L162 HydrophobicContact CD2-CD2 4.26Å; F142-R163 HydrophobicContact CD1-CB 3.84Å; F142-R163 HydrophobicContact CE1-CB 3.36Å; F142-R163 HydrophobicContact CE1-CG 4.34Å; F142-R163 HydrophobicContact CZ-CB 3.85Å; F142-R163 PolarHBondContact O-N 2.92Å; F142-F230 HydrophobicContact CE1-CE1 4.26Å; F142-F230 HydrophobicContact CZ-CD1 4.25Å; F142-F230 AromaticContact CZ-CE1 3.86Å; F142-F230 HydrophobicContact CZ-CE1 3.86Å
143	D	94.4	Very high	93.5	Very high	66 Å²	66	56.1 Å²	56.1	35%	0.353	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.8	174.2	-76.1	-61.9	0	0	0	111.2	D141 R163	D141-D143 PolarHBondContact O-N 3.49Å; D143-R163 CarbonylContact C-O 3.59Å; D143-R163 WeakPolarHBondContact CA-O 3.26Å; D143-R163 WeakPolarHBondContact OD1-CB 3.45Å; D143-R163 WeakPolarHBondContact OD1-CG 3.41Å; D143-R163 IonicContact OD1-CZ 2.66Å; D143-R163 IonicContact OD1-NE 3.65Å; D143-R163 PolarHBondContact OD1-NE 3.12Å; D143-R163 IonicContact OD1-NH2 3.66Å; D143-R163 PolarHBondContact OD1-NH2 2.96Å; D143-R163 IonicContact OD2-CZ 3.97Å; D143-R163 IonicContact OD2-NE 3.15Å; D143-R163 IonicContact OD2-NH2 3.07Å; D143-R163 PolarHBondContact OD2-NH2 3.1Å
144	L	94.1	Very high	93.4	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.089	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.3	176.5	-73.6	169.1	0	0	0	111	R150 L162 R163 Y164 L231 I276 I278	L144-R150 HydrophobicContact CD2-CB 3.98Å; L144-R150 HydrophobicContact CD2-CG 4.27Å; L144-L162 HydrophobicContact CD1-CB 3.81Å; L144-L162 HydrophobicContact CD1-CD1 4.08Å; L144-L162 HydrophobicContact CD2-CD1 3.81Å; L144-L162 HydrophobicContact CG-CB 3.97Å; L144-L162 HydrophobicContact CG-CD1 4.04Å; L144-R163 PolarHBondContact N-O 2.88Å; L144-Y164 HydrophobicContact CB-CD2 4.05Å; L144-Y164 VanDerWaalsContact O-CD2 3.23Å; L144-Y164 WeakPolarHBondContact O-CD2 3.39Å; L144-L231 HydrophobicContact CD1-CB 4.24Å; L144-L231 HydrophobicContact CD1-CD2 3.54Å; L144-I276 HydrophobicContact CD1-CG2 4.38Å; L144-I278 HydrophobicContact CB-CD1 4.14Å; L144-I278 HydrophobicContact CD1-CD1 3.68Å
145	E	91.4	Very high	93.3	Very high	136 Å²	136	54.4 Å²	54.4	64%	0.636	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-84.5	155.2	171.3	-67.8	-171.2	-149.1	0	0	111.8	I148	E145-I148 HydrophobicContact CB-CB 4.43Å; E145-I148 HydrophobicContact CB-CD1 3.86Å; E145-I148 HydrophobicContact CB-CG1 4.2Å; E145-I148 VanDerWaalsContact OE2-CD1 3.3Å; E145-I148 WeakPolarHBondContact OE2-CD1 3.49Å
146	S	90.8	Very high	93.1	Very high	39 Å²	39	53.3 Å²	53.3	27%	0.273	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	134.1	-178.6	-167.4	0	0	0	0	112.4	I148 I278 S280	S146-I148 VanDerWaalsContact C-N 3.29Å; S146-I278 CarbonylContact C-O 3.55Å; S146-I278 WeakPolarHBondContact CA-O 3.37Å; S146-I278 WeakPolarHBondContact CB-O 3.27Å; S146-I278 PolarHBondContact OG-O 2.78Å; S146-S280 VanDerWaalsContact CB-OG 3.24Å; S146-S280 WeakPolarHBondContact CB-OG 3.27Å; S146-S280 VanDerWaalsContact OG-CB 3.24Å; S146-S280 WeakPolarHBondContact OG-CB 3.41Å; S146-S280 PolarHBondContact OG-N 2.9Å; S146-S280 PolarHBondContact OG-OG 3.18Å
147	G	90.1	Very high	93	Very high	50 Å²	50	53.3 Å²	53.3	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	1	-178	0	0	0	0	0	114.6	I278	G147-I278 PolarHBondContact N-O 3.37Å
148	I	93	Very high	92.9	Very high	96 Å²	96	52.3 Å²	52.3	49%	0.492	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-102.5	130	176.5	-56	-170.9	0	0	0	109.1	E145 S146	E145-I148 HydrophobicContact CB-CB 4.43Å; E145-I148 HydrophobicContact CB-CD1 3.86Å; E145-I148 HydrophobicContact CB-CG1 4.2Å; E145-I148 VanDerWaalsContact OE2-CD1 3.3Å; E145-I148 WeakPolarHBondContact OE2-CD1 3.49Å; S146-I148 VanDerWaalsContact C-N 3.29Å
149	E	94.2	Very high	92.9	Very high	108 Å²	108	51 Å²	51	51%	0.505	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-76.7	122.5	172.3	-70.2	-167.6	173.5	0	0	110.9	K275 I276 L277	E149-K275 WeakPolarHBondContact OE2-CE 3.43Å; E149-K275 IonicContact OE2-NZ 2.72Å; E149-K275 PolarHBondContact OE2-NZ 3.36Å; E149-I276 CarbonylContact C-O 3.58Å; E149-I276 WeakPolarHBondContact CA-O 3.24Å; E149-L277 HydrophobicContact CG-CD1 4.25Å
150	R	93.8	Very high	93	Very high	83 Å²	83	50.5 Å²	50.5	31%	0.313	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.5	169.9	-170.1	63.7	175	-169.6	-5.6	110.1	D141 L144 I152 K275 I276	D141-R150 IonicContact OD2-CZ 3.12Å; D141-R150 IonicContact OD2-NH1 2.74Å; D141-R150 PolarHBondContact OD2-NH1 2.89Å; D141-R150 IonicContact OD2-NH2 3.74Å; D141-R150 PolarHBondContact OD2-NH2 3.39Å; L144-R150 HydrophobicContact CD2-CB 3.98Å; L144-R150 HydrophobicContact CD2-CG 4.27Å; R150-I152 HydrophobicContact CG-CG2 4.09Å; R150-K275 CarbonylContact O-C 3.53Å; R150-K275 WeakPolarHBondContact O-CA 3.3Å; R150-I276 PolarHBondContact N-O 3.09Å; R150-I276 PolarHBondContact O-N 3.29Å
151	S	94.5	Very high	93.3	Very high	79 Å²	79	46.8 Å²	46.8	55%	0.552	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	173.2	-62	0	0	0	0	110.2	V274	S151-V274 CarbonylContact C-O 3.57Å; S151-V274 WeakPolarHBondContact CA-O 3.28Å
152	I	93.4	Very high	93.6	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	162.9	176.9	65	169.8	0	0	0	111.2	R150 V154 I160 L233 S273 V274 I276	R150-I152 HydrophobicContact CG-CG2 4.09Å; I152-V154 HydrophobicContact CD1-CG2 3.81Å; I152-V154 HydrophobicContact CG1-CG2 4.17Å; I152-I160 HydrophobicContact CD1-CB 4.23Å; I152-I160 HydrophobicContact CD1-CD1 4.21Å; I152-I160 HydrophobicContact CD1-CG2 4.05Å; I152-L233 HydrophobicContact CD1-CD1 3.68Å; I152-S273 CarbonylContact O-C 3.51Å; I152-S273 WeakPolarHBondContact O-CA 3.37Å; I152-V274 HydrophobicContact CG1-CB 4.31Å; I152-V274 PolarHBondContact N-O 2.94Å; I152-V274 PolarHBondContact O-N 2.87Å; I152-I276 HydrophobicContact CD1-CD1 3.77Å; I152-I276 HydrophobicContact CG1-CD1 4.11Å
153	V	93.8	Very high	93.7	Very high	87 Å²	87	43.4 Å²	43.4	53%	0.527	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130	170.4	-177.5	0	0	0	0	108.4	I160 K272	V153-I160 WeakPolarHBondContact O-CD1 3.39Å; V153-K272 WeakPolarHBondContact CA-O 3.28Å
154	V	93.6	Very high	93.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.7	-179.7	-171.8	0	0	0	0	109.4	I152 I160 L233 L235 S271 K272	I152-V154 HydrophobicContact CD1-CG2 3.81Å; I152-V154 HydrophobicContact CG1-CG2 4.17Å; V154-I160 HydrophobicContact CG1-CG1 4.42Å; V154-I160 HydrophobicContact CG2-CD1 4.25Å; V154-I160 HydrophobicContact CG2-CG1 4.15Å; V154-L233 HydrophobicContact CG2-CB 4.25Å; V154-L235 HydrophobicContact CG1-CB 4.2Å; V154-S271 WeakPolarHBondContact O-CA 3.35Å; V154-K272 PolarHBondContact N-O 3.01Å; V154-K272 PolarHBondContact O-N 3.14Å
155	S	93.9	Very high	93.6	Very high	12 Å²	12	43.3 Å²	43.3	8%	0.084	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-133	162.5	171.5	88.7	0	0	0	0	110.7	A157 E158	S155-A157 VanDerWaalsContact C-N 3.32Å; S155-A157 PolarHBondContact O-N 2.86Å; S155-E158 CarbonylContact O-C 3.52Å; S155-E158 PolarHBondContact O-N 2.88Å; S155-E158 VanDerWaalsContact O-N 3.14Å; S155-E158 VanDerWaalsContact OG-CB 3.28Å; S155-E158 WeakPolarHBondContact OG-CB 3.07Å; S155-E158 WeakPolarHBondContact OG-CG 3.49Å; S155-E158 PolarHBondContact OG-N 3.16Å; S155-E158 PolarHBondContact OG-OE2 3.43Å
156	P	92.8	Very high	93.5	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.032	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.5	-170.3	-23.6	37.5	0	0	0	114.4	M88 L90 Y96 L235 R270	M88-P156 WeakPolarHBondContact CE-O 3.41Å; L90-P156 HydrophobicContact CD1-CB 3.52Å; Y96-P156 HydrophobicContact CE1-CG 4.34Å; Y96-P156 HydrophobicContact CE2-CB 4.13Å; Y96-P156 HydrophobicContact CE2-CG 4.38Å; P156-L235 WeakPolarHBondContact CA-O 3.46Å; P156-L235 WeakPolarHBondContact CB-O 3.32Å; P156-L235 HydrophobicContact CG-CB 4.1Å; P156-L235 HydrophobicContact CG-CD2 4.1Å; P156-L235 HydrophobicContact CG-CG 4.33Å; P156-R270 WeakPolarHBondContact CD-O 3.18Å; P156-R270 HydrophobicContact CG-CG 4.36Å
157	A	93	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.6	175.6	0	0	0	0	0	113.6	M88 Y96 N98 V99 S100 S155 P159	M88-A157 HydrophobicContact CB-CB 4.19Å; M88-A157 HydrophobicContact CE-CB 4.11Å; M88-A157 HydrophobicContact SD-CB 4.48Å; Y96-A157 VanDerWaalsContact CB-CB 3.47Å; Y96-A157 HydrophobicContact CD2-CB 4.23Å; Y96-A157 HydrophobicContact CG-CB 3.86Å; N98-A157 WeakPolarHBondContact O-CB 3.2Å; V99-A157 WeakPolarHBondContact CA-O 3.36Å; V99-A157 HydrophobicContact CG2-CB 4.41Å; S100-A157 PolarHBondContact N-O 3.21Å; S155-A157 VanDerWaalsContact C-N 3.32Å; S155-A157 PolarHBondContact O-N 2.86Å; A157-P159 VanDerWaalsContact C-CD 3.44Å
158	E	94.1	Very high	92.8	Very high	46 Å²	46	41.7 Å²	41.7	22%	0.215	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-132.7	57.1	-179.6	-55.4	-166.7	88.4	0	0	110.9	R57 H59 S100 S155	R57-E158 PolarHBondContact NH2-O 3.37Å; H59-E158 IonicContact CE1-OE1 2.74Å; H59-E158 IonicContact ND1-OE1 2.7Å; H59-E158 PolarHBondContact ND1-OE1 2.94Å; S100-E158 WeakPolarHBondContact CB-OE1 3.28Å; S100-E158 VanDerWaalsContact OG-CB 3.28Å; S100-E158 WeakPolarHBondContact OG-CB 3.26Å; S100-E158 VanDerWaalsContact OG-CG 3.28Å; S100-E158 WeakPolarHBondContact OG-CG 3.13Å; S100-E158 PolarHBondContact OG-OE1 3.21Å; S155-E158 CarbonylContact O-C 3.52Å; S155-E158 PolarHBondContact O-N 2.88Å; S155-E158 VanDerWaalsContact O-N 3.14Å; S155-E158 VanDerWaalsContact OG-CB 3.28Å; S155-E158 WeakPolarHBondContact OG-CB 3.07Å; S155-E158 WeakPolarHBondContact OG-CG 3.49Å; S155-E158 PolarHBondContact OG-N 3.16Å; S155-E158 PolarHBondContact OG-OE2 3.43Å
159	P	95	Very high	92.1	Very high	4 Å²	4	45 Å²	45	3%	0.026	24%	0.238	C	C	.	.			trans	-57.1	153	179.5	28.2	-36.7	0	0	0	111	R57 A157 D198 V234	R57-P159 PolarHBondContact NH2-O 3.45Å; R57-P159 VanDerWaalsContact NH2-O 3.09Å; A157-P159 VanDerWaalsContact C-CD 3.44Å; P159-D198 HydrophobicContact CB-CB 4.27Å; P159-D198 WeakPolarHBondContact CB-O 3.33Å; P159-D198 HydrophobicContact CG-CB 4.19Å; P159-D198 WeakPolarHBondContact CG-O 3.45Å; P159-V234 HydrophobicContact CB-CG2 4.14Å
160	I	94.5	Very high	91.2	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.097	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.3	-178.4	-49.3	-155.7	0	0	0	108.8	I152 V153 V154 L162 L233	I152-I160 HydrophobicContact CD1-CB 4.23Å; I152-I160 HydrophobicContact CD1-CD1 4.21Å; I152-I160 HydrophobicContact CD1-CG2 4.05Å; V153-I160 WeakPolarHBondContact O-CD1 3.39Å; V154-I160 HydrophobicContact CG1-CG1 4.42Å; V154-I160 HydrophobicContact CG2-CD1 4.25Å; V154-I160 HydrophobicContact CG2-CG1 4.15Å; I160-L162 HydrophobicContact CG2-CD2 4.46Å; I160-L162 HydrophobicContact CG2-CG 4.34Å; I160-L233 PolarHBondContact N-O 3.22Å; I160-L233 VanDerWaalsContact N-O 3.14Å; I160-L233 PolarHBondContact O-N 3.14Å
161	Y	95.9	Very high	90.5	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.027	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.4	160.3	68.8	-89.2	0	0	0	111.2	T102 L103 C104 F142 V196 D198 F230 L231	T102-Y161 HydrophobicContact CG2-CE1 4.07Å; T102-Y161 HydrophobicContact CG2-CE2 4.37Å; T102-Y161 VanDerWaalsContact O-CE1 3.26Å; T102-Y161 WeakPolarHBondContact O-CE1 3.27Å; T102-Y161 PolarHBondContact O-OH 3.3Å; L103-Y161 PolarHBondContact O-OH 3.27Å; L103-Y161 VanDerWaalsContact O-OH 3.13Å; C104-Y161 PolarHBondContact N-OH 3.18Å; F142-Y161 AromaticContact CE2-CD2 3.83Å; F142-Y161 HydrophobicContact CE2-CD2 3.83Å; F142-Y161 AromaticContact CE2-CE2 3.81Å; F142-Y161 HydrophobicContact CE2-CE2 3.81Å; F142-Y161 WeakPolarHBondContact CE2-O 3.46Å; F142-Y161 HydrophobicContact CZ-CD2 4.02Å; F142-Y161 AromaticContact CZ-CE2 3.8Å; F142-Y161 HydrophobicContact CZ-CE2 3.8Å; Y161-V196 HydrophobicContact CD1-CG1 4.02Å; Y161-V196 HydrophobicContact CD2-CG1 4.28Å; Y161-V196 HydrophobicContact CD2-CG2 4.4Å; Y161-V196 HydrophobicContact CE1-CB 4.32Å; Y161-V196 HydrophobicContact CE1-CG1 4.32Å; Y161-V196 HydrophobicContact CE2-CG2 4.03Å; Y161-V196 HydrophobicContact CG-CG1 4Å; Y161-D198 HydrophobicContact CD1-CB 4.48Å; Y161-F230 HydrophobicContact CD2-CD1 4.04Å; Y161-F230 HydrophobicContact CD2-CE1 4.47Å; Y161-F230 HydrophobicContact CD2-CG 4.37Å; Y161-F230 HydrophobicContact CE2-CD1 4.37Å; Y161-F230 HydrophobicContact CE2-CE1 4.37Å; Y161-L231 CarbonylContact C-O 3.28Å; Y161-L231 WeakPolarHBondContact CA-O 3.34Å; Y161-L231 WeakPolarHBondContact CB-O 3.39Å
162	L	96	Very high	90	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159.8	179.3	-61.5	173.8	0	0	0	108.6	F142 L144 I160 F230 L231 I276	F142-L162 HydrophobicContact CD2-CD2 4.26Å; L144-L162 HydrophobicContact CD1-CB 3.81Å; L144-L162 HydrophobicContact CD1-CD1 4.08Å; L144-L162 HydrophobicContact CD2-CD1 3.81Å; L144-L162 HydrophobicContact CG-CB 3.97Å; L144-L162 HydrophobicContact CG-CD1 4.04Å; I160-L162 HydrophobicContact CG2-CD2 4.46Å; I160-L162 HydrophobicContact CG2-CG 4.34Å; L162-F230 CarbonylContact O-C 3.59Å; L162-F230 WeakPolarHBondContact O-CA 3.47Å; L162-L231 PolarHBondContact N-O 3.46Å; L162-L231 PolarHBondContact O-N 3.19Å; L162-I276 HydrophobicContact CD1-CD1 4.09Å
163	R	95.3	Very high	89.7	Confident	21 Å²	21	39.8 Å²	39.8	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.6	178.5	-178.5	168.1	66.9	-168.6	2.4	110.2	E53 F142 D143 L144 L165 L192 F230	E53-R163 VanDerWaalsContact CD-NH1 3.26Å; E53-R163 IonicContact OE1-CZ 2.82Å; E53-R163 IonicContact OE1-NH1 3.04Å; E53-R163 PolarHBondContact OE1-NH1 2.85Å; E53-R163 IonicContact OE1-NH2 2.73Å; E53-R163 IonicContact OE2-CZ 2.74Å; E53-R163 VanDerWaalsContact OE2-CZ 3.32Å; E53-R163 IonicContact OE2-NH1 2.88Å; E53-R163 PolarHBondContact OE2-NH1 3.44Å; E53-R163 IonicContact OE2-NH2 3.4Å; E53-R163 PolarHBondContact OE2-NH2 3.02Å; F142-R163 HydrophobicContact CD1-CB 3.84Å; F142-R163 HydrophobicContact CE1-CB 3.36Å; F142-R163 HydrophobicContact CE1-CG 4.34Å; F142-R163 HydrophobicContact CZ-CB 3.85Å; F142-R163 PolarHBondContact O-N 2.92Å; D143-R163 CarbonylContact C-O 3.59Å; D143-R163 WeakPolarHBondContact CA-O 3.26Å; D143-R163 WeakPolarHBondContact OD1-CB 3.45Å; D143-R163 WeakPolarHBondContact OD1-CG 3.41Å; D143-R163 IonicContact OD1-CZ 2.66Å; D143-R163 IonicContact OD1-NE 3.65Å; D143-R163 PolarHBondContact OD1-NE 3.12Å; D143-R163 IonicContact OD1-NH2 3.66Å; D143-R163 PolarHBondContact OD1-NH2 2.96Å; D143-R163 IonicContact OD2-CZ 3.97Å; D143-R163 IonicContact OD2-NE 3.15Å; D143-R163 IonicContact OD2-NH2 3.07Å; D143-R163 PolarHBondContact OD2-NH2 3.1Å; L144-R163 PolarHBondContact N-O 2.88Å; R163-L165 HydrophobicContact CG-CD2 4.18Å; R163-L165 HydrophobicContact CG-CG 4.23Å; R163-L192 HydrophobicContact CG-CD2 3.81Å; R163-F230 HydrophobicContact CB-CD1 4.05Å; R163-F230 HydrophobicContact CB-CE1 4.05Å; R163-F230 HydrophobicContact CG-CD1 4.38Å; R163-F230 HydrophobicContact CG-CE1 4.2Å
164	Y	94.3	Very high	89.4	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.8	166.6	-177.5	-99.1	0	0	0	109.4	L144 Y166 P167 A173 G228 F229 I278 S280	L144-Y164 HydrophobicContact CB-CD2 4.05Å; L144-Y164 VanDerWaalsContact O-CD2 3.23Å; L144-Y164 WeakPolarHBondContact O-CD2 3.39Å; Y164-Y166 AromaticContact CE1-CD1 3.92Å; Y164-Y166 HydrophobicContact CE1-CD1 3.92Å; Y164-Y166 HydrophobicContact CE1-CE1 4.17Å; Y164-Y166 HydrophobicContact CE1-CG 4.36Å; Y164-P167 VanDerWaalsContact OH-CD 3.27Å; Y164-P167 WeakPolarHBondContact OH-CD 3.18Å; Y164-A173 HydrophobicContact CE1-CB 3.93Å; Y164-G228 CarbonylContact O-C 3.59Å; Y164-G228 WeakPolarHBondContact O-CA 3.45Å; Y164-F229 HydrophobicContact CD1-CD1 4.24Å; Y164-F229 AromaticContact CD1-CE1 3.47Å; Y164-F229 HydrophobicContact CD1-CE1 3.47Å; Y164-F229 VanDerWaalsContact CD1-CE1 3.47Å; Y164-F229 HydrophobicContact CD1-CE2 4.25Å; Y164-F229 AromaticContact CD1-CZ 3.47Å; Y164-F229 HydrophobicContact CD1-CZ 3.47Å; Y164-F229 VanDerWaalsContact CD1-CZ 3.47Å; Y164-F229 HydrophobicContact CE1-CE1 4.22Å; Y164-F229 HydrophobicContact CE1-CZ 4.33Å; Y164-F229 HydrophobicContact CG-CE1 4.22Å; Y164-F229 HydrophobicContact CG-CE2 4.18Å; Y164-F229 AromaticContact CG-CZ 3.78Å; Y164-F229 HydrophobicContact CG-CZ 3.78Å; Y164-F229 PolarHBondContact N-O 2.95Å; Y164-F229 PolarHBondContact O-N 3.33Å; Y164-I278 HydrophobicContact CD2-CB 4.37Å; Y164-I278 HydrophobicContact CD2-CD1 3.7Å; Y164-I278 HydrophobicContact CD2-CG2 3.98Å; Y164-I278 HydrophobicContact CE1-CG2 4.26Å; Y164-I278 HydrophobicContact CE2-CB 4.17Å; Y164-I278 HydrophobicContact CE2-CD1 4.35Å; Y164-I278 HydrophobicContact CE2-CG2 3.6Å; Y164-I278 HydrophobicContact CG-CD1 3.97Å; Y164-I278 HydrophobicContact CG-CG2 4.46Å; Y164-S280 WeakPolarHBondContact OH-CB 3.42Å
165	L	92	Very high	89.4	Confident	81 Å²	81	37.6 Å²	37.6	42%	0.424	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.7	175.5	-61.8	177.3	0	0	0	108.5	R163 P167 L192	R163-L165 HydrophobicContact CG-CD2 4.18Å; R163-L165 HydrophobicContact CG-CG 4.23Å; L165-P167 WeakPolarHBondContact O-CD 3.36Å; L165-L192 HydrophobicContact CD2-CD1 3.77Å
166	Y	88.9	Confident	89.4	Confident	29 Å²	29	39.7 Å²	39.7	11%	0.114	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-65.4	126.7	179.9	-70.8	-77.7	0	0	0	110.5	Y164 A173 I220 V222 F225 K227 F229	Y164-Y166 AromaticContact CE1-CD1 3.92Å; Y164-Y166 HydrophobicContact CE1-CD1 3.92Å; Y164-Y166 HydrophobicContact CE1-CE1 4.17Å; Y164-Y166 HydrophobicContact CE1-CG 4.36Å; Y166-A173 HydrophobicContact CE1-CB 3.78Å; Y166-I220 VanDerWaalsContact OH-CG2 3.29Å; Y166-I220 WeakPolarHBondContact OH-CG2 3.27Å; Y166-V222 HydrophobicContact CD2-CG2 3.89Å; Y166-V222 HydrophobicContact CE2-CB 4.32Å; Y166-V222 HydrophobicContact CE2-CG2 3.91Å; Y166-V222 HydrophobicContact CG-CG2 4.47Å; Y166-F225 WeakPolarHBondContact CE2-O 3.21Å; Y166-K227 WeakPolarHBondContact CD2-O 3.37Å; Y166-K227 PolarHBondContact N-O 3.05Å; Y166-F229 HydrophobicContact CE2-CD1 4.44Å
167	P	86.6	Confident	89.5	Confident	41 Å²	41	39.4 Å²	39.4	27%	0.266	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-57.5	150.5	170.7	-24.8	34.4	0	0	0	111.2	Y164 L165 Q169 K170	Y164-P167 VanDerWaalsContact OH-CD 3.27Å; Y164-P167 WeakPolarHBondContact OH-CD 3.18Å; L165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-Q169 PolarHBondContact O-N 2.92Å; P167-K170 HydrophobicContact CB-CB 4.49Å; P167-K170 HydrophobicContact CB-CD 4.36Å; P167-K170 HydrophobicContact CB-CG 4.45Å; P167-K170 HydrophobicContact CG-CD 4.44Å; P167-K170 PolarHBondContact O-N 3.42Å
168	P	80.9	Confident	89.6	Confident	120 Å²	120	42.2 Å²	42.2	78%	0.779	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	142.9	177.2	22.8	-33.3	0	0	0	111.2	K170	P168-K170 PolarHBondContact O-N 3.43Å
169	Q	76.9	Confident	89.7	Confident	165 Å²	165	40.6 Å²	40.6	77%	0.771	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	-23.9	-175.6	-49.6	177.7	-1.7	0	0	116.6	P167	P167-Q169 PolarHBondContact O-N 2.92Å
170	K	76.8	Confident	89.6	Confident	83 Å²	83	50.8 Å²	50.8	36%	0.361	25%	0.252	S	S	.	.			trans	-79.9	146.6	177.7	-61.6	-164	178.7	-167.9	0	111.9	P167 P168 S280	P167-K170 HydrophobicContact CB-CB 4.49Å; P167-K170 HydrophobicContact CB-CD 4.36Å; P167-K170 HydrophobicContact CB-CG 4.45Å; P167-K170 HydrophobicContact CG-CD 4.44Å; P167-K170 PolarHBondContact O-N 3.42Å; P168-K170 PolarHBondContact O-N 3.43Å; K170-S280 VanDerWaalsContact CD-CB 3.43Å; K170-S280 WeakPolarHBondContact CD-O 3.41Å; K170-S280 WeakPolarHBondContact CD-OG 3.21Å; K170-S280 PolarHBondContact NZ-O 2.95Å; K170-S280 PolarHBondContact NZ-OG 2.98Å
171	K	78.7	Confident	89.5	Confident	85 Å²	85	51.2 Å²	51.2	37%	0.37	26%	0.257	S	S	.	.			trans	-138.9	4.5	-168.6	-68.7	-175.4	175.7	176.9	0	114.7	V222 R283	K171-V222 HydrophobicContact CB-CB 4.36Å; K171-V222 HydrophobicContact CB-CG1 3.77Å; K171-V222 HydrophobicContact CD-CG1 4.36Å; K171-V222 HydrophobicContact CG-CG1 3.98Å; K171-V222 WeakPolarHBondContact O-CB 3.5Å; K171-V222 PolarHBondContact O-N 2.85Å; K171-R283 HydrophobicContact CB-CB 4.03Å; K171-R283 HydrophobicContact CB-CG 4.11Å; K171-R283 HydrophobicContact CD-CB 4.18Å; K171-R283 HydrophobicContact CD-CG 4.2Å
172	S	83.2	Confident	89.3	Confident	17 Å²	17	55.9 Å²	55.9	12%	0.119	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.9	175.6	39.2	0	0	0	0	109.8	I220 S280 T281	S172-I220 CarbonylContact C-O 3.59Å; S172-I220 WeakPolarHBondContact CA-O 3.27Å; S172-I220 WeakPolarHBondContact CB-O 3.31Å; S172-S280 WeakPolarHBondContact O-CA 3.35Å; S172-T281 WeakPolarHBondContact CB-OG1 3.37Å; S172-T281 PolarHBondContact O-N 2.91Å; S172-T281 VanDerWaalsContact O-N 3.11Å; S172-T281 PolarHBondContact OG-O 3.49Å; S172-T281 PolarHBondContact OG-OG1 2.83Å
173	A	87.5	Confident	89.2	Confident	2 Å²	2	57 Å²	57	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.9	178.3	0	0	0	0	0	109.1	Y164 Y166 I175 I220 F229 I278 N279	Y164-A173 HydrophobicContact CE1-CB 3.93Å; Y166-A173 HydrophobicContact CE1-CB 3.78Å; A173-I175 HydrophobicContact CB-CD1 4.36Å; A173-I220 PolarHBondContact N-O 3.05Å; A173-I220 PolarHBondContact O-N 3.35Å; A173-F229 HydrophobicContact CB-CE1 4.1Å; A173-F229 HydrophobicContact CB-CZ 4.28Å; A173-I278 HydrophobicContact CB-CG2 4.03Å; A173-N279 WeakPolarHBondContact CA-O 3.34Å
174	E	88.4	Confident	89.1	Confident	41 Å²	41	56 Å²	56	19%	0.192	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117	172.6	-176.3	-161.7	154.3	0	0	107	I278 N279	E174-I278 CarbonylContact O-C 3.6Å; E174-I278 WeakPolarHBondContact O-CA 3.47Å; E174-N279 HydrophobicContact CB-CB 4.41Å; E174-N279 PolarHBondContact N-O 3.42Å; E174-N279 PolarHBondContact O-N 3.42Å
175	I	92.2	Very high	89.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.6	-178.1	-56.8	82.8	0	0	0	107.2	A173 V177 I189 A217 I218 I220 F229 L231 I278	A173-I175 HydrophobicContact CB-CD1 4.36Å; I175-V177 HydrophobicContact CG2-CG2 4.09Å; I175-I189 HydrophobicContact CB-CD1 4.32Å; I175-I189 HydrophobicContact CD1-CD1 3.72Å; I175-I189 HydrophobicContact CG1-CD1 3.91Å; I175-A217 CarbonylContact O-C 3.58Å; I175-A217 WeakPolarHBondContact O-CA 3.21Å; I175-I218 WeakPolarHBondContact CD1-O 3.29Å; I175-I218 PolarHBondContact N-O 3.21Å; I175-I218 PolarHBondContact O-N 3.28Å; I175-I220 HydrophobicContact CD1-CD1 3.91Å; I175-I220 HydrophobicContact CD1-CG1 4.09Å; I175-F229 HydrophobicContact CD1-CE1 4.38Å; I175-F229 HydrophobicContact CD1-CE2 4.25Å; I175-F229 HydrophobicContact CD1-CZ 3.7Å; I175-F229 HydrophobicContact CG1-CE2 4.08Å; I175-F229 HydrophobicContact CG1-CZ 3.85Å; I175-L231 HydrophobicContact CG2-CD1 3.79Å; I175-L231 HydrophobicContact CG2-CD2 4.38Å; I175-I278 HydrophobicContact CB-CG1 4.48Å; I175-I278 HydrophobicContact CG1-CD1 4.11Å; I175-I278 HydrophobicContact CG1-CG1 4.12Å; I175-I278 HydrophobicContact CG2-CG1 4.23Å
176	K	94	Very high	89.4	Confident	55 Å²	55	52.9 Å²	52.9	24%	0.239	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.1	176.1	-177	165.8	-177.9	161.6	0	110.5	V178 L215 I276 L277 E617	K176-V178 HydrophobicContact CG-CG2 4.08Å; K176-L215 HydrophobicContact CG-CD1 4.47Å; K176-I276 WeakPolarHBondContact O-CA 3.4Å; K176-L277 HydrophobicContact CB-CB 4.49Å; K176-L277 PolarHBondContact N-O 3.03Å; K176-L277 PolarHBondContact O-N 3.38Å; K176-E617 WeakPolarHBondContact CE-OE1 3.29Å; K176-E617 IonicContact NZ-OE1 2.72Å; K176-E617 PolarHBondContact NZ-OE1 3.47Å; K176-E617 IonicContact NZ-OE2 3.33Å; K176-E617 PolarHBondContact NZ-OE2 3.17Å
177	V	95.4	Very high	89.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.9	-175	-179.3	0	0	0	0	109.3	I175 M185 L187 L215 G216 L233 V274 K275	I175-V177 HydrophobicContact CG2-CG2 4.09Å; V177-M185 HydrophobicContact CG1-CE 3.78Å; V177-L187 HydrophobicContact CB-CD2 4.27Å; V177-L187 HydrophobicContact CG2-CD1 4.33Å; V177-L187 HydrophobicContact CG2-CD2 3.76Å; V177-L215 WeakPolarHBondContact O-CA 3.25Å; V177-G216 PolarHBondContact N-O 3.45Å; V177-G216 PolarHBondContact O-N 3.46Å; V177-L233 HydrophobicContact CG1-CD2 4.45Å; V177-V274 HydrophobicContact CG1-CG1 3.35Å; V177-K275 CarbonylContact C-O 3.59Å; V177-K275 WeakPolarHBondContact CA-O 3.37Å
178	V	95.8	Very high	90.1	Very high	59 Å²	59	49.6 Å²	49.6	36%	0.358	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.5	-173.9	-173.8	0	0	0	0	110.6	K176 L215 K275	K176-V178 HydrophobicContact CG-CG2 4.08Å; V178-L215 HydrophobicContact CG2-CD1 4.03Å; V178-K275 HydrophobicContact CB-CB 4.45Å; V178-K275 PolarHBondContact N-O 2.69Å; V178-K275 PolarHBondContact O-N 2.94Å
179	S	95.5	Very high	90.8	Very high	11 Å²	11	43.9 Å²	43.9	8%	0.077	21%	0.213	C	C	.	.			trans	-136.9	149.1	171.9	-169.4	0	0	0	0	111.2	S181 T214 K272 S273	S179-S181 VanDerWaalsContact C-N 3.27Å; S179-S181 PolarHBondContact OG-N 2.98Å; S179-T214 PolarHBondContact N-O 3.13Å; S179-T214 WeakPolarHBondContact O-CA 3.31Å; S179-T214 WeakPolarHBondContact O-CB 3.17Å; S179-K272 VanDerWaalsContact CB-CE 3.44Å; S179-K272 WeakPolarHBondContact OG-CE 3.3Å; S179-K272 WeakPolarHBondContact OG-CG 3.47Å; S179-S273 WeakPolarHBondContact CB-O 3.46Å; S179-S273 PolarHBondContact OG-O 3.44Å
180	K	93.1	Very high	91.6	Very high	218 Å²	218	36.3 Å²	36.3	95%	0.948	18%	0.178	S	C	*	.	S	Bend	trans	-80.2	-10.9	169.7	-63.2	-174.5	179.8	-177.1	0	112.7
181	S	92.5	Very high	92.4	Very high	29 Å²	29	38.1 Å²	38.1	20%	0.203	19%	0.186	C	C	.	.			trans	-102.4	139.7	-179.6	175	0	0	0	0	110.3	S179 I183	S179-S181 VanDerWaalsContact C-N 3.27Å; S179-S181 PolarHBondContact OG-N 2.98Å; S181-I183 WeakPolarHBondContact OG-CB 3.4Å; S181-I183 WeakPolarHBondContact OG-CD1 3.37Å; S181-I183 WeakPolarHBondContact OG-CG1 3.34Å; S181-I183 PolarHBondContact OG-N 2.91Å
182	D	91.5	Very high	93.1	Very high	105 Å²	105	36.9 Å²	36.9	56%	0.561	18%	0.183	S	C	*	.			trans	-85.6	-4.3	176.7	56.5	-16.2	0	0	0	113.9	C184 T214	D182-C184 PolarHBondContact O-N 3.22Å; D182-T214 HydrophobicContact CB-CG2 4.5Å
183	I	93.2	Very high	93.4	Very high	35 Å²	35	42.3 Å²	42.3	18%	0.179	21%	0.206	C	C	.	.			trans	-51.4	133.5	176.9	-66.2	170.7	0	0	0	111	S181 L235 R270 K272	S181-I183 WeakPolarHBondContact OG-CB 3.4Å; S181-I183 WeakPolarHBondContact OG-CD1 3.37Å; S181-I183 WeakPolarHBondContact OG-CG1 3.34Å; S181-I183 PolarHBondContact OG-N 2.91Å; I183-L235 HydrophobicContact CG2-CD1 3.76Å; I183-L235 HydrophobicContact CG2-CD2 4.06Å; I183-L235 HydrophobicContact CG2-CG 4.02Å; I183-R270 HydrophobicContact CG2-CG 4.29Å; I183-K272 WeakPolarHBondContact O-CD 3.48Å; I183-K272 WeakPolarHBondContact O-CE 3.4Å; I183-K272 PolarHBondContact O-NZ 3.14Å
184	C	94.6	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.			trans	-68.1	130.3	-174.2	-168.4	0	0	0	0	113.9	D182 L235 K236 D239 C242	D182-C184 PolarHBondContact O-N 3.22Å; C184-L235 WeakPolarHBondContact O-CD1 3.43Å; C184-K236 HydrophobicContact CB-CB 4.33Å; C184-K236 PolarHBondContact O-N 2.97Å; C184-D239 HydrophobicContact CB-CB 4.25Å; C184-D239 WeakPolarHBondContact CB-OD1 3.42Å; C184-D239 PolarHBondContact N-OD1 3.4Å; C184-C242 WeakPolarHBondContact CA-SG 3.37Å; C184-C242 HydrophobicContact CB-CB 3.56Å; C184-C242 WeakPolarHBondContact CB-SG 3.36Å; C184-C242 WeakPolarHBondContact SG-CB 3.31Å; C184-C242 PolarHBondContact SG-N 2.89Å; C184-C242 CovalentContact SG-SG 2.03Å; C184-C242 PolarHBondContact SG-SG 2.89Å
185	M	95.4	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.7	179.1	-171.9	178	68.8	0	0	109.6	V177 V212 L233 V234 L235 K272 V274	V177-M185 HydrophobicContact CG1-CE 3.78Å; M185-V212 HydrophobicContact CE-CB 4.05Å; M185-V212 HydrophobicContact CE-CG1 3.88Å; M185-V212 PolarHBondContact N-O 3.06Å; M185-V212 PolarHBondContact O-N 3.37Å; M185-L233 HydrophobicContact CE-CD2 3.74Å; M185-L233 HydrophobicContact SD-CB 4.4Å; M185-L233 HydrophobicContact SD-CD2 4.03Å; M185-V234 CarbonylContact C-O 3.47Å; M185-V234 WeakPolarHBondContact CA-O 3.2Å; M185-V234 WeakPolarHBondContact CG-O 3.36Å; M185-L235 HydrophobicContact CB-CD1 3.94Å; M185-L235 HydrophobicContact CG-CD1 4.25Å; M185-K272 HydrophobicContact CB-CD 4.16Å; M185-K272 HydrophobicContact SD-CD 4.1Å; M185-V274 HydrophobicContact CE-CG1 4.41Å; M185-V274 HydrophobicContact CE-CG2 4.16Å; M185-V274 HydrophobicContact SD-CG2 3.82Å
186	I	95.8	Very high	93.6	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.9	163.9	-63.5	-179.7	0	0	0	108.6	V203 H209 Q210 T211 V234 K236	I186-V203 HydrophobicContact CB-CG1 4.2Å; I186-V203 HydrophobicContact CD1-CG1 3.81Å; I186-V203 HydrophobicContact CG2-CG1 4.03Å; I186-V203 HydrophobicContact CG2-CG2 4.04Å; I186-H209 HydrophobicContact CG2-CB 4.28Å; I186-Q210 WeakPolarHBondContact CA-O 3.5Å; I186-T211 HydrophobicContact CG1-CG2 4.4Å; I186-V234 PolarHBondContact N-O 3.28Å; I186-V234 PolarHBondContact O-N 3.49Å; I186-K236 VanDerWaalsContact CD1-CE 3.41Å; I186-K236 HydrophobicContact CG1-CG 4.43Å
187	L	96	Very high	93.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.4	163.2	161.5	59.7	0	0	0	107.2	V177 I189 H209 Q210 V212 I218 L231 L233	V177-L187 HydrophobicContact CB-CD2 4.27Å; V177-L187 HydrophobicContact CG2-CD1 4.33Å; V177-L187 HydrophobicContact CG2-CD2 3.76Å; L187-I189 HydrophobicContact CD1-CG1 4.38Å; L187-H209 CarbonylContact O-C 3.59Å; L187-H209 VanDerWaalsContact O-CA 3.27Å; L187-H209 WeakPolarHBondContact O-CA 3.33Å; L187-Q210 HydrophobicContact CB-CG 4.31Å; L187-Q210 HydrophobicContact CD2-CG 4.39Å; L187-Q210 HydrophobicContact CG-CG 4.49Å; L187-Q210 PolarHBondContact N-O 2.86Å; L187-Q210 PolarHBondContact O-N 3.25Å; L187-V212 HydrophobicContact CB-CG2 3.74Å; L187-V212 HydrophobicContact CD2-CG2 4.38Å; L187-I218 HydrophobicContact CD2-CD1 3.94Å; L187-I218 HydrophobicContact CD2-CG1 4.06Å; L187-I218 HydrophobicContact CG-CD1 3.88Å; L187-L231 HydrophobicContact CD1-CD1 3.32Å; L187-L231 HydrophobicContact CD1-CG 4.36Å; L187-L233 HydrophobicContact CB-CD2 4.12Å; L187-L233 HydrophobicContact CD1-CD2 3.85Å
188	S	96	Very high	93.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.3	180	173.4	0	0	0	0	110.4	Q190 V203 L208 V232	S188-Q190 PolarHBondContact OG-NE2 3.08Å; S188-Q190 VanDerWaalsContact OG-NE2 3.11Å; S188-V203 PolarHBondContact OG-O 3.1Å; S188-L208 CarbonylContact C-O 3.55Å; S188-L208 WeakPolarHBondContact CA-O 3.07Å; S188-V232 PolarHBondContact N-O 3.35Å; S188-V232 PolarHBondContact O-N 2.89Å
189	I	94.9	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.6	-178	-60.8	179.5	0	0	0	108.9	I175 L187 G207 L208 I218 I220 F225 F229 F230 L231	I175-I189 HydrophobicContact CB-CD1 4.32Å; I175-I189 HydrophobicContact CD1-CD1 3.72Å; I175-I189 HydrophobicContact CG1-CD1 3.91Å; L187-I189 HydrophobicContact CD1-CG1 4.38Å; I189-G207 CarbonylContact O-C 3.53Å; I189-G207 VanDerWaalsContact O-CA 3.29Å; I189-G207 WeakPolarHBondContact O-CA 3.39Å; I189-L208 PolarHBondContact N-O 2.95Å; I189-L208 PolarHBondContact O-N 2.82Å; I189-I218 HydrophobicContact CD1-CB 3.97Å; I189-I218 HydrophobicContact CD1-CD1 3.81Å; I189-I218 HydrophobicContact CD1-CG1 4.37Å; I189-I218 HydrophobicContact CD1-CG2 4.1Å; I189-I218 HydrophobicContact CG1-CD1 4.22Å; I189-I220 HydrophobicContact CB-CD1 4.14Å; I189-I220 HydrophobicContact CD1-CD1 3.61Å; I189-I220 HydrophobicContact CG1-CD1 4.45Å; I189-I220 HydrophobicContact CG2-CD1 3.54Å; I189-F225 HydrophobicContact CG2-CE1 4.45Å; I189-F225 HydrophobicContact CG2-CE2 4.37Å; I189-F225 HydrophobicContact CG2-CZ 4.18Å; I189-F225 WeakPolarHBondContact O-CZ 3.48Å; I189-F229 HydrophobicContact CG2-CB 3.65Å; I189-F229 HydrophobicContact CG2-CD1 4.31Å; I189-F229 HydrophobicContact CG2-CD2 3.45Å; I189-F229 VanDerWaalsContact CG2-CD2 3.45Å; I189-F229 HydrophobicContact CG2-CE2 4.15Å; I189-F229 HydrophobicContact CG2-CG 3.55Å; I189-F230 WeakPolarHBondContact CA-O 3.09Å; I189-L231 HydrophobicContact CD1-CD1 4.14Å; I189-L231 HydrophobicContact CG1-CD1 3.89Å
190	Q	94.3	Very high	92.8	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.033	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.9	-167.6	-60.9	179.7	19.6	0	0	110.8	S188 N197 F229 F230 V232	S188-Q190 PolarHBondContact OG-NE2 3.08Å; S188-Q190 VanDerWaalsContact OG-NE2 3.11Å; Q190-N197 PolarHBondContact NE2-O 3.41Å; Q190-F229 CarbonylContact O-C 3.51Å; Q190-F229 WeakPolarHBondContact O-CA 3.4Å; Q190-F229 WeakPolarHBondContact O-CB 3.08Å; Q190-F230 PolarHBondContact N-O 3.45Å; Q190-F230 PolarHBondContact O-N 3.22Å; Q190-V232 HydrophobicContact CG-CG2 4.11Å
191	K	93	Very high	92.6	Very high	121 Å²	121	43.6 Å²	43.6	53%	0.526	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	154.9	176.6	-65.2	173.8	-176.9	170.1	0	109.9	Q193 F225 F230	K191-Q193 HydrophobicContact CB-CB 4.39Å; K191-Q193 HydrophobicContact CB-CG 4.12Å; K191-Q193 PolarHBondContact O-N 2.93Å; K191-F225 HydrophobicContact CG-CD1 3.91Å; K191-F225 HydrophobicContact CG-CE1 3.9Å; K191-F230 VanDerWaalsContact O-CD2 3.27Å; K191-F230 WeakPolarHBondContact O-CD2 3.5Å
192	L	92	Very high	92.5	Very high	58 Å²	58	44 Å²	44	30%	0.304	24%	0.237	S	C	.	.	S	Bend	trans	-72.1	63.2	171.9	-64.7	176.6	0	0	0	111.5	R163 L165 G228 F229 F230	R163-L192 HydrophobicContact CG-CD2 3.81Å; L165-L192 HydrophobicContact CD2-CD1 3.77Å; L192-G228 VanDerWaalsContact CD1-C 3.5Å; L192-F229 VanDerWaalsContact CD2-C 3.42Å; L192-F230 HydrophobicContact CD2-CD1 3.79Å; L192-F230 HydrophobicContact CD2-CD2 4.15Å; L192-F230 HydrophobicContact CD2-CE1 3.76Å; L192-F230 HydrophobicContact CD2-CE2 4.15Å; L192-F230 HydrophobicContact CD2-CG 3.98Å; L192-F230 HydrophobicContact CD2-CZ 3.95Å
193	Q	90.3	Very high	92.5	Very high	131 Å²	131	39 Å²	39	61%	0.612	21%	0.211	S	C	*	.			trans	-138.3	144.9	-175.5	-67.2	178.8	-39.4	0	0	108	K191	K191-Q193 HydrophobicContact CB-CB 4.39Å; K191-Q193 HydrophobicContact CB-CG 4.12Å; K191-Q193 PolarHBondContact O-N 2.93Å
194	C	89.8	Confident	92.2	Very high	72 Å²	72	38.4 Å²	38.4	49%	0.486	21%	0.212	S	C	.	.	S	Bend	trans	-109.3	149.3	177	-70.6	0	0	0	0	109.8	C104	C104-C194 HydrophobicContact CB-CB 4.11Å; C104-C194 WeakPolarHBondContact CB-SG 3.44Å; C104-C194 WeakPolarHBondContact SG-CB 3.45Å; C104-C194 CovalentContact SG-SG 2.04Å; C104-C194 PolarHBondContact SG-SG 2.95Å
195	P	89.9	Confident	91.9	Very high	107 Å²	107	43.9 Å²	43.9	70%	0.695	24%	0.242	S	C	*	.	S	Bend	cis	-71.1	154.2	-1	31.5	-36.5	0	0	0	113.2
196	V	92.3	Very high	91.6	Very high	15 Å²	15	46.6 Å²	46.6	9%	0.091	26%	0.259	C	S	.	.			trans	-89.2	133.3	174	-179.2	0	0	0	0	108.5	Y161 D198 F230 V232	Y161-V196 HydrophobicContact CD1-CG1 4.02Å; Y161-V196 HydrophobicContact CD2-CG1 4.28Å; Y161-V196 HydrophobicContact CD2-CG2 4.4Å; Y161-V196 HydrophobicContact CE1-CB 4.32Å; Y161-V196 HydrophobicContact CE1-CG1 4.32Å; Y161-V196 HydrophobicContact CE2-CG2 4.03Å; Y161-V196 HydrophobicContact CG-CG1 4Å; V196-D198 PolarHBondContact O-N 3.39Å; V196-D198 VanDerWaalsContact O-N 3.15Å; V196-F230 HydrophobicContact CG2-CD2 3.63Å; V196-F230 HydrophobicContact CG2-CE2 3.67Å; V196-F230 HydrophobicContact CG2-CG 4.33Å; V196-F230 HydrophobicContact CG2-CZ 4.41Å; V196-V232 HydrophobicContact CG1-CG2 3.84Å
197	N	93	Very high	91.3	Very high	38 Å²	38	47.1 Å²	47.1	20%	0.203	27%	0.268	C	S	.	.			trans	-83.8	89.3	178.4	-76.5	-45.1	0	0	0	110.1	Q190 T202 V203 T206	Q190-N197 PolarHBondContact NE2-O 3.41Å; N197-T202 WeakPolarHBondContact CB-O 3.15Å; N197-T202 PolarHBondContact OD1-OG1 2.73Å; N197-V203 WeakPolarHBondContact O-CA 3.42Å; N197-T206 WeakPolarHBondContact ND2-CG2 3.09Å; N197-T206 PolarHBondContact ND2-OG1 2.86Å
198	D	92.2	Very high	91.1	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.08	27%	0.274	C	S	.	.			trans	-100.9	-1.6	-175.9	74	-23.3	0	0	0	114.5	R101 P159 Y161 V196 V234	R101-D198 VanDerWaalsContact CD-OD2 3.22Å; R101-D198 WeakPolarHBondContact CD-OD2 3.38Å; R101-D198 IonicContact CZ-OD1 2.88Å; R101-D198 IonicContact CZ-OD2 3.7Å; R101-D198 IonicContact NE-OD2 2.73Å; R101-D198 VanDerWaalsContact NH1-CG 3.31Å; R101-D198 IonicContact NH1-OD1 3.24Å; R101-D198 PolarHBondContact NH1-OD1 2.74Å; R101-D198 IonicContact NH1-OD2 3.93Å; R101-D198 PolarHBondContact NH1-OD2 2.77Å; R101-D198 VanDerWaalsContact NH1-OD2 3.1Å; P159-D198 HydrophobicContact CB-CB 4.27Å; P159-D198 WeakPolarHBondContact CB-O 3.33Å; P159-D198 HydrophobicContact CG-CB 4.19Å; P159-D198 WeakPolarHBondContact CG-O 3.45Å; Y161-D198 HydrophobicContact CD1-CB 4.48Å; V196-D198 PolarHBondContact O-N 3.39Å; V196-D198 VanDerWaalsContact O-N 3.15Å; D198-V234 VanDerWaalsContact O-CG2 3.27Å; D198-V234 WeakPolarHBondContact O-CG2 3.44Å
199	L	92	Very high	91.1	Very high	60 Å²	60	49.2 Å²	49.2	31%	0.314	28%	0.278	S	S	.	.	S	Bend	trans	-87.5	149.5	-179	-80.4	171.4	0	0	0	112.7	D201 T202 V203	L199-D201 PolarHBondContact O-N 3.42Å; L199-T202 HydrophobicContact CB-CG2 4.46Å; L199-T202 PolarHBondContact O-N 3.46Å; L199-V203 VanDerWaalsContact O-CB 3.23Å; L199-V203 WeakPolarHBondContact O-CB 3.46Å; L199-V203 VanDerWaalsContact O-CG1 3.29Å; L199-V203 WeakPolarHBondContact O-CG1 3.5Å; L199-V203 PolarHBondContact O-N 3.23Å
200	S	88.1	Confident	91.1	Very high	8 Å²	8	49.2 Å²	49.2	6%	0.056	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42	-41.4	173.6	165	0	0	0	0	113.3	K236	S200-K236 WeakPolarHBondContact O-CE 3.3Å; S200-K236 PolarHBondContact O-NZ 2.84Å; S200-K236 PolarHBondContact OG-NZ 3.06Å
201	D	86.9	Confident	91.1	Very high	98 Å²	98	49.2 Å²	49.2	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-7.3	-165.1	-41.7	-40.5	0	0	0	112.3	L199 K236	L199-D201 PolarHBondContact O-N 3.42Å; D201-K236 IonicContact OD1-NZ 3.95Å
202	T	91.3	Very high	91.2	Very high	39 Å²	39	43.5 Å²	43.5	24%	0.239	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-17.3	175	73.2	0	0	0	0	113.9	N197 L199 G204 N205	N197-T202 WeakPolarHBondContact CB-O 3.15Å; N197-T202 PolarHBondContact OD1-OG1 2.73Å; L199-T202 HydrophobicContact CB-CG2 4.46Å; L199-T202 PolarHBondContact O-N 3.46Å; T202-G204 PolarHBondContact O-N 2.86Å; T202-G204 VanDerWaalsContact O-N 3.12Å; T202-N205 WeakPolarHBondContact O-CB 3.45Å; T202-N205 PolarHBondContact O-N 3.27Å
203	V	92.1	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.3	-177.8	64.1	0	0	0	0	114.3	I186 S188 N197 L199 V232 V234	I186-V203 HydrophobicContact CB-CG1 4.2Å; I186-V203 HydrophobicContact CD1-CG1 3.81Å; I186-V203 HydrophobicContact CG2-CG1 4.03Å; I186-V203 HydrophobicContact CG2-CG2 4.04Å; S188-V203 PolarHBondContact OG-O 3.1Å; N197-V203 WeakPolarHBondContact O-CA 3.42Å; L199-V203 VanDerWaalsContact O-CB 3.23Å; L199-V203 WeakPolarHBondContact O-CB 3.46Å; L199-V203 VanDerWaalsContact O-CG1 3.29Å; L199-V203 WeakPolarHBondContact O-CG1 3.5Å; L199-V203 PolarHBondContact O-N 3.23Å; V203-V232 HydrophobicContact CG2-CG1 4.11Å; V203-V234 HydrophobicContact CB-CG2 4.04Å; V203-V234 HydrophobicContact CG1-CB 4.39Å; V203-V234 HydrophobicContact CG1-CG2 4.33Å; V203-V234 HydrophobicContact CG2-CB 4.45Å; V203-V234 HydrophobicContact CG2-CG2 3.77Å
204	G	87.2	Confident	91.6	Very high	21 Å²	21	36.8 Å²	36.8	22%	0.216	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-7	174.6	0	0	0	0	0	115.1	T202 T206 H209	T202-G204 PolarHBondContact O-N 2.86Å; T202-G204 VanDerWaalsContact O-N 3.12Å; G204-T206 VanDerWaalsContact C-N 3.29Å; G204-T206 PolarHBondContact O-N 3.1Å; G204-H209 PolarHBondContact O-CE1 3.33Å; G204-H209 PolarHBondContact O-ND1 3.33Å
205	N	88.3	Confident	91.9	Very high	116 Å²	116	34.3 Å²	34.3	62%	0.62	21%	0.206	S	C	*	.	S	Bend	trans	-78.6	-13.1	-173.8	-64.5	-7	0	0	0	113.4	T202	T202-N205 WeakPolarHBondContact O-CB 3.45Å; T202-N205 PolarHBondContact O-N 3.27Å
206	T	87.8	Confident	92	Very high	57 Å²	57	29.2 Å²	29.2	35%	0.35	17%	0.173	S	C	.	.	S	Bend	trans	-150.1	136.7	-172.7	56.2	0	0	0	0	112	N197 G204	N197-T206 WeakPolarHBondContact ND2-CG2 3.09Å; N197-T206 PolarHBondContact ND2-OG1 2.86Å; G204-T206 VanDerWaalsContact C-N 3.29Å; G204-T206 PolarHBondContact O-N 3.1Å
207	G	90.4	Very high	92.1	Very high	27 Å²	27	28.5 Å²	28.5	28%	0.278	17%	0.169	S	C	.	.	S	Bend	trans	79.1	-177	176.4	0	0	0	0	0	112.9	I189 H209 G607	I189-G207 CarbonylContact O-C 3.53Å; I189-G207 VanDerWaalsContact O-CA 3.29Å; I189-G207 WeakPolarHBondContact O-CA 3.39Å; G207-H209 PolarHBondContact O-ND1 2.97Å; G207-G607 WeakPolarHBondContact O-CA 3.48Å
208	L	92.3	Very high	91.9	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.115	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.9	-179.9	-60.8	178.7	0	0	0	109.3	S188 I189 I218 I220 F225 G607	S188-L208 CarbonylContact C-O 3.55Å; S188-L208 WeakPolarHBondContact CA-O 3.07Å; I189-L208 PolarHBondContact N-O 2.95Å; I189-L208 PolarHBondContact O-N 2.82Å; L208-I218 HydrophobicContact CD1-CG2 4.16Å; L208-I220 HydrophobicContact CD1-CD1 4.33Å; L208-I220 HydrophobicContact CD1-CG1 4.25Å; L208-F225 HydrophobicContact CD1-CE2 4.02Å; L208-F225 HydrophobicContact CG-CE2 4.18Å; L208-F225 HydrophobicContact CG-CZ 4.29Å; L208-G607 CarbonylContact C-O 3.55Å; L208-G607 WeakPolarHBondContact CA-O 3.47Å
209	H	94.9	Very high	91.6	Very high	21 Å²	21	27.8 Å²	27.8	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.1	-179.3	62.9	-86.6	0	0	0	112.6	I186 L187 G204 G207 T606 G607 N608 E609	I186-H209 HydrophobicContact CG2-CB 4.28Å; L187-H209 CarbonylContact O-C 3.59Å; L187-H209 VanDerWaalsContact O-CA 3.27Å; L187-H209 WeakPolarHBondContact O-CA 3.33Å; G204-H209 PolarHBondContact O-CE1 3.33Å; G204-H209 PolarHBondContact O-ND1 3.33Å; G207-H209 PolarHBondContact O-ND1 2.97Å; H209-T606 PolarHBondContact CE1-O 3.42Å; H209-G607 PolarHBondContact N-O 3.02Å; H209-G607 PolarHBondContact ND1-O 2.89Å; H209-N608 WeakPolarHBondContact NE2-CB 3.26Å; H209-E609 PolarHBondContact O-N 2.77Å
210	Q	94.9	Very high	91.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152.6	176.3	69.5	-176.6	-9.1	0	0	113	I186 L187 V212 A217 I218 E609 D610 R905	I186-Q210 WeakPolarHBondContact CA-O 3.5Å; L187-Q210 HydrophobicContact CB-CG 4.31Å; L187-Q210 HydrophobicContact CD2-CG 4.39Å; L187-Q210 HydrophobicContact CG-CG 4.49Å; L187-Q210 PolarHBondContact N-O 2.86Å; L187-Q210 PolarHBondContact O-N 3.25Å; Q210-V212 HydrophobicContact CG-CG2 4.04Å; Q210-A217 PolarHBondContact NE2-O 2.91Å; Q210-I218 HydrophobicContact CG-CD1 4.15Å; Q210-I218 HydrophobicContact CG-CG1 4.39Å; Q210-E609 HydrophobicContact CB-CB 4.19Å; Q210-D610 WeakPolarHBondContact CA-OD1 3.39Å; Q210-D610 WeakPolarHBondContact CB-OD1 3.44Å; Q210-R905 VanDerWaalsContact OE1-CZ 3.27Å
211	T	95.1	Very high	90.8	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	139.5	169.5	48.7	0	0	0	0	112.2	I186 A241 D610 A902 R905	I186-T211 HydrophobicContact CG1-CG2 4.4Å; T211-A241 HydrophobicContact CG2-CB 4.25Å; T211-D610 VanDerWaalsContact CB-OD2 3.3Å; T211-D610 WeakPolarHBondContact CB-OD2 3.44Å; T211-D610 WeakPolarHBondContact CG2-OD2 3.3Å; T211-D610 PolarHBondContact N-OD1 2.88Å; T211-D610 PolarHBondContact N-OD2 3.39Å; T211-D610 PolarHBondContact OG1-OD1 3.38Å; T211-D610 PolarHBondContact OG1-OD2 2.97Å; T211-A902 WeakPolarHBondContact OG1-CB 3.43Å; T211-R905 PolarHBondContact O-NH1 3.12Å
212	V	95.1	Very high	90.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.2	-172.6	178	0	0	0	0	110.5	M185 L187 Q210 K272	M185-V212 HydrophobicContact CE-CB 4.05Å; M185-V212 HydrophobicContact CE-CG1 3.88Å; M185-V212 PolarHBondContact N-O 3.06Å; M185-V212 PolarHBondContact O-N 3.37Å; L187-V212 HydrophobicContact CB-CG2 3.74Å; L187-V212 HydrophobicContact CD2-CG2 4.38Å; Q210-V212 HydrophobicContact CG-CG2 4.04Å; V212-K272 PolarHBondContact O-NZ 3.42Å
213	T	94.7	Very high	89.6	Confident	8 Å²	8	23.9 Å²	23.9	5%	0.049	15%	0.149	C	C	.	.	S	Bend	trans	-85	-101.5	164.8	61.2	0	0	0	0	109.5	C242 K272 A902	T213-C242 HydrophobicContact CG2-CB 3.93Å; T213-K272 WeakPolarHBondContact O-CE 3.32Å; T213-K272 PolarHBondContact O-NZ 3.47Å; T213-A902 HydrophobicContact CG2-CB 3.89Å; T213-A902 PolarHBondContact OG1-O 3.46Å
214	T	94.8	Very high	88.9	Confident	40 Å²	40	27.5 Å²	27.5	25%	0.245	17%	0.166	C	C	.	.	S	Bend	trans	-84.9	-26.3	179.5	52.9	0	0	0	0	113.9	S179 D182 A906	S179-T214 PolarHBondContact N-O 3.13Å; S179-T214 WeakPolarHBondContact O-CA 3.31Å; S179-T214 WeakPolarHBondContact O-CB 3.17Å; D182-T214 HydrophobicContact CB-CG2 4.5Å; T214-A906 WeakPolarHBondContact OG1-CB 3.39Å
215	L	95.7	Very high	88.8	Confident	19 Å²	19	27 Å²	27	10%	0.099	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.2	-172.9	177.9	59.6	0	0	0	111.2	K176 V177 V178 E617 R905 N908	K176-L215 HydrophobicContact CG-CD1 4.47Å; V177-L215 WeakPolarHBondContact O-CA 3.25Å; V178-L215 HydrophobicContact CG2-CD1 4.03Å; L215-E617 VanDerWaalsContact CD1-OE1 3.3Å; L215-E617 WeakPolarHBondContact CD1-OE1 3.31Å; L215-E617 WeakPolarHBondContact CD2-OE1 3.32Å; L215-R905 VanDerWaalsContact CD2-O 3.31Å; L215-R905 WeakPolarHBondContact CD2-O 3.37Å; L215-R905 WeakPolarHBondContact O-CB 3.47Å; L215-N908 HydrophobicContact CD2-CB 4.13Å
216	G	93.9	Very high	88.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.5	168.3	0	0	0	0	0	110.4	V177	V177-G216 PolarHBondContact N-O 3.45Å; V177-G216 PolarHBondContact O-N 3.46Å
217	A	92.6	Very high	88.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.9	174.9	0	0	0	0	0	110.3	I175 Q210 F616 E617	I175-A217 CarbonylContact O-C 3.58Å; I175-A217 WeakPolarHBondContact O-CA 3.21Å; Q210-A217 PolarHBondContact NE2-O 2.91Å; A217-F616 HydrophobicContact CB-CB 3.97Å; A217-F616 WeakPolarHBondContact O-CB 3.31Å; A217-E617 HydrophobicContact CB-CG 4.18Å
218	I	90.3	Very high	88.5	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.6	172.3	-54.8	-177.6	0	0	0	109.1	I175 L187 I189 L208 Q210 I220	I175-I218 WeakPolarHBondContact CD1-O 3.29Å; I175-I218 PolarHBondContact N-O 3.21Å; I175-I218 PolarHBondContact O-N 3.28Å; L187-I218 HydrophobicContact CD2-CD1 3.94Å; L187-I218 HydrophobicContact CD2-CG1 4.06Å; L187-I218 HydrophobicContact CG-CD1 3.88Å; I189-I218 HydrophobicContact CD1-CB 3.97Å; I189-I218 HydrophobicContact CD1-CD1 3.81Å; I189-I218 HydrophobicContact CD1-CG1 4.37Å; I189-I218 HydrophobicContact CD1-CG2 4.1Å; I189-I218 HydrophobicContact CG1-CD1 4.22Å; L208-I218 HydrophobicContact CD1-CG2 4.16Å; Q210-I218 HydrophobicContact CG-CD1 4.15Å; Q210-I218 HydrophobicContact CG-CG1 4.39Å; I218-I220 HydrophobicContact CG2-CD1 4.23Å; I218-I220 HydrophobicContact CG2-CG1 3.91Å
219	S	84.7	Confident	88.6	Confident	35 Å²	35	31.7 Å²	31.7	25%	0.245	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120	178.7	-67.7	0	0	0	0	111.2	A619	S219-A619 PolarHBondContact OG-O 3.32Å
220	I	84.2	Confident	88.6	Confident	4 Å²	4	31 Å²	31	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.8	-173.3	-58.9	-174.1	0	0	0	111.8	Y166 S172 A173 I175 I189 L208 I218 F225 F229	Y166-I220 VanDerWaalsContact OH-CG2 3.29Å; Y166-I220 WeakPolarHBondContact OH-CG2 3.27Å; S172-I220 CarbonylContact C-O 3.59Å; S172-I220 WeakPolarHBondContact CA-O 3.27Å; S172-I220 WeakPolarHBondContact CB-O 3.31Å; A173-I220 PolarHBondContact N-O 3.05Å; A173-I220 PolarHBondContact O-N 3.35Å; I175-I220 HydrophobicContact CD1-CD1 3.91Å; I175-I220 HydrophobicContact CD1-CG1 4.09Å; I189-I220 HydrophobicContact CB-CD1 4.14Å; I189-I220 HydrophobicContact CD1-CD1 3.61Å; I189-I220 HydrophobicContact CG1-CD1 4.45Å; I189-I220 HydrophobicContact CG2-CD1 3.54Å; L208-I220 HydrophobicContact CD1-CD1 4.33Å; L208-I220 HydrophobicContact CD1-CG1 4.25Å; I218-I220 HydrophobicContact CG2-CD1 4.23Å; I218-I220 HydrophobicContact CG2-CG1 3.91Å; I220-F225 HydrophobicContact CD1-CD2 4.17Å; I220-F225 HydrophobicContact CD1-CE2 4.05Å; I220-F225 HydrophobicContact CG2-CD2 3.63Å; I220-F225 HydrophobicContact CG2-CE2 4.27Å; I220-F229 HydrophobicContact CD1-CD1 4.44Å; I220-F229 HydrophobicContact CD1-CE1 4.37Å
221	D	79.2	Confident	88.7	Confident	8 Å²	8	31 Å²	31	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.3	165.1	-167.7	-38.9	0	0	0	110	T223 Q224 R284	D221-T223 PolarHBondContact O-N 2.67Å; D221-T223 PolarHBondContact OD1-N 3.49Å; D221-Q224 PolarHBondContact O-N 3.41Å; D221-R284 IonicContact OD2-CZ 2.77Å; D221-R284 IonicContact OD2-NE 2.75Å; D221-R284 PolarHBondContact OD2-NE 2.87Å; D221-R284 IonicContact OD2-NH2 2.88Å; D221-R284 PolarHBondContact OD2-NH2 3.11Å
222	V	78.5	Confident	88.8	Confident	29 Å²	29	30.7 Å²	30.7	18%	0.176	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-14.6	177.5	76.9	0	0	0	0	113.6	Y166 K171 Q224 F225	Y166-V222 HydrophobicContact CD2-CG2 3.89Å; Y166-V222 HydrophobicContact CE2-CB 4.32Å; Y166-V222 HydrophobicContact CE2-CG2 3.91Å; Y166-V222 HydrophobicContact CG-CG2 4.47Å; K171-V222 HydrophobicContact CB-CB 4.36Å; K171-V222 HydrophobicContact CB-CG1 3.77Å; K171-V222 HydrophobicContact CD-CG1 4.36Å; K171-V222 HydrophobicContact CG-CG1 3.98Å; K171-V222 WeakPolarHBondContact O-CB 3.5Å; K171-V222 PolarHBondContact O-N 2.85Å; V222-Q224 PolarHBondContact O-N 3.39Å; V222-F225 CarbonylContact O-C 3.28Å
223	T	74.3	Confident	88.8	Confident	82 Å²	82	30.8 Å²	30.8	50%	0.503	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.7	170.2	50.9	0	0	0	0	114.1	D221	D221-T223 PolarHBondContact O-N 2.67Å; D221-T223 PolarHBondContact OD1-N 3.49Å
224	Q	77.9	Confident	88.9	Confident	76 Å²	76	30.5 Å²	30.5	36%	0.355	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-42.6	177.8	-65.5	173.1	-10.6	0	0	111.8	D221 V222	D221-Q224 PolarHBondContact O-N 3.41Å; V222-Q224 PolarHBondContact O-N 3.39Å
225	F	85	Confident	88.9	Confident	12 Å²	12	28.6 Å²	28.6	5%	0.053	15%	0.147	C	C	.	.	S	Bend	trans	-126	107	-177.2	-62.8	-90.1	0	0	0	110.5	Y166 I189 K191 L208 I220 V222 F229	Y166-F225 WeakPolarHBondContact CE2-O 3.21Å; I189-F225 HydrophobicContact CG2-CE1 4.45Å; I189-F225 HydrophobicContact CG2-CE2 4.37Å; I189-F225 HydrophobicContact CG2-CZ 4.18Å; I189-F225 WeakPolarHBondContact O-CZ 3.48Å; K191-F225 HydrophobicContact CG-CD1 3.91Å; K191-F225 HydrophobicContact CG-CE1 3.9Å; L208-F225 HydrophobicContact CD1-CE2 4.02Å; L208-F225 HydrophobicContact CG-CE2 4.18Å; L208-F225 HydrophobicContact CG-CZ 4.29Å; I220-F225 HydrophobicContact CD1-CD2 4.17Å; I220-F225 HydrophobicContact CD1-CE2 4.05Å; I220-F225 HydrophobicContact CG2-CD2 3.63Å; I220-F225 HydrophobicContact CG2-CE2 4.27Å; V222-F225 CarbonylContact O-C 3.28Å; F225-F229 HydrophobicContact CB-CB 4.3Å; F225-F229 HydrophobicContact CD1-CB 4.05Å; F225-F229 HydrophobicContact CG-CB 4.19Å
226	L	83.9	Confident	88.7	Confident	140 Å²	140	28.8 Å²	28.8	73%	0.733	15%	0.147	S	C	*	.	S	Bend	trans	-75.5	134.1	-179.9	-63.9	172.9	0	0	0	111	G228	L226-G228 PolarHBondContact O-N 3.02Å
227	K	85.4	Confident	88.5	Confident	178 Å²	178	29.3 Å²	29.3	77%	0.774	15%	0.151	S	C	*	.	S	Bend	trans	67.6	-33.6	-178.8	-51.8	176.8	-179.4	177.7	0	115.9	Y166	Y166-K227 WeakPolarHBondContact CD2-O 3.37Å; Y166-K227 PolarHBondContact N-O 3.05Å
228	G	91.1	Very high	88.3	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-168.4	179.8	0	0	0	0	0	112.4	Y164 L192 L226	Y164-G228 CarbonylContact O-C 3.59Å; Y164-G228 WeakPolarHBondContact O-CA 3.45Å; L192-G228 VanDerWaalsContact CD1-C 3.5Å; L226-G228 PolarHBondContact O-N 3.02Å
229	F	94.6	Very high	88.2	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.8	-177.7	53.3	-99.2	0	0	0	111.9	Y164 Y166 A173 I175 I189 Q190 L192 I220 F225 I278	Y164-F229 HydrophobicContact CD1-CD1 4.24Å; Y164-F229 AromaticContact CD1-CE1 3.47Å; Y164-F229 HydrophobicContact CD1-CE1 3.47Å; Y164-F229 VanDerWaalsContact CD1-CE1 3.47Å; Y164-F229 HydrophobicContact CD1-CE2 4.25Å; Y164-F229 AromaticContact CD1-CZ 3.47Å; Y164-F229 HydrophobicContact CD1-CZ 3.47Å; Y164-F229 VanDerWaalsContact CD1-CZ 3.47Å; Y164-F229 HydrophobicContact CE1-CE1 4.22Å; Y164-F229 HydrophobicContact CE1-CZ 4.33Å; Y164-F229 HydrophobicContact CG-CE1 4.22Å; Y164-F229 HydrophobicContact CG-CE2 4.18Å; Y164-F229 AromaticContact CG-CZ 3.78Å; Y164-F229 HydrophobicContact CG-CZ 3.78Å; Y164-F229 PolarHBondContact N-O 2.95Å; Y164-F229 PolarHBondContact O-N 3.33Å; Y166-F229 HydrophobicContact CE2-CD1 4.44Å; A173-F229 HydrophobicContact CB-CE1 4.1Å; A173-F229 HydrophobicContact CB-CZ 4.28Å; I175-F229 HydrophobicContact CD1-CE1 4.38Å; I175-F229 HydrophobicContact CD1-CE2 4.25Å; I175-F229 HydrophobicContact CD1-CZ 3.7Å; I175-F229 HydrophobicContact CG1-CE2 4.08Å; I175-F229 HydrophobicContact CG1-CZ 3.85Å; I189-F229 HydrophobicContact CG2-CB 3.65Å; I189-F229 HydrophobicContact CG2-CD1 4.31Å; I189-F229 HydrophobicContact CG2-CD2 3.45Å; I189-F229 VanDerWaalsContact CG2-CD2 3.45Å; I189-F229 HydrophobicContact CG2-CE2 4.15Å; I189-F229 HydrophobicContact CG2-CG 3.55Å; Q190-F229 CarbonylContact O-C 3.51Å; Q190-F229 WeakPolarHBondContact O-CA 3.4Å; Q190-F229 WeakPolarHBondContact O-CB 3.08Å; L192-F229 VanDerWaalsContact CD2-C 3.42Å; I220-F229 HydrophobicContact CD1-CD1 4.44Å; I220-F229 HydrophobicContact CD1-CE1 4.37Å; F225-F229 HydrophobicContact CB-CB 4.3Å; F225-F229 HydrophobicContact CD1-CB 4.05Å; F225-F229 HydrophobicContact CG-CB 4.19Å; F229-I278 HydrophobicContact CE2-CD1 4.38Å; F229-I278 HydrophobicContact CZ-CD1 4.38Å
230	F	95.8	Very high	88.3	Confident	8 Å²	8	36 Å²	36	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.5	164.4	-68.1	-54.6	0	0	0	109.4	F142 Y161 L162 R163 I189 Q190 K191 L192 V196 V232	F142-F230 HydrophobicContact CE1-CE1 4.26Å; F142-F230 HydrophobicContact CZ-CD1 4.25Å; F142-F230 AromaticContact CZ-CE1 3.86Å; F142-F230 HydrophobicContact CZ-CE1 3.86Å; Y161-F230 HydrophobicContact CD2-CD1 4.04Å; Y161-F230 HydrophobicContact CD2-CE1 4.47Å; Y161-F230 HydrophobicContact CD2-CG 4.37Å; Y161-F230 HydrophobicContact CE2-CD1 4.37Å; Y161-F230 HydrophobicContact CE2-CE1 4.37Å; L162-F230 CarbonylContact O-C 3.59Å; L162-F230 WeakPolarHBondContact O-CA 3.47Å; R163-F230 HydrophobicContact CB-CD1 4.05Å; R163-F230 HydrophobicContact CB-CE1 4.05Å; R163-F230 HydrophobicContact CG-CD1 4.38Å; R163-F230 HydrophobicContact CG-CE1 4.2Å; I189-F230 WeakPolarHBondContact CA-O 3.09Å; Q190-F230 PolarHBondContact N-O 3.45Å; Q190-F230 PolarHBondContact O-N 3.22Å; K191-F230 VanDerWaalsContact O-CD2 3.27Å; K191-F230 WeakPolarHBondContact O-CD2 3.5Å; L192-F230 HydrophobicContact CD2-CD1 3.79Å; L192-F230 HydrophobicContact CD2-CD2 4.15Å; L192-F230 HydrophobicContact CD2-CE1 3.76Å; L192-F230 HydrophobicContact CD2-CE2 4.15Å; L192-F230 HydrophobicContact CD2-CG 3.98Å; L192-F230 HydrophobicContact CD2-CZ 3.95Å; V196-F230 HydrophobicContact CG2-CD2 3.63Å; V196-F230 HydrophobicContact CG2-CE2 3.67Å; V196-F230 HydrophobicContact CG2-CG 4.33Å; V196-F230 HydrophobicContact CG2-CZ 4.41Å; F230-V232 HydrophobicContact CB-CG2 4.38Å
231	L	96.2	Very high	88.4	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111	171.1	-179.2	71.2	0	0	0	108.1	L144 Y161 L162 I175 L187 I189 I276	L144-L231 HydrophobicContact CD1-CB 4.24Å; L144-L231 HydrophobicContact CD1-CD2 3.54Å; Y161-L231 CarbonylContact C-O 3.28Å; Y161-L231 WeakPolarHBondContact CA-O 3.34Å; Y161-L231 WeakPolarHBondContact CB-O 3.39Å; L162-L231 PolarHBondContact N-O 3.46Å; L162-L231 PolarHBondContact O-N 3.19Å; I175-L231 HydrophobicContact CG2-CD1 3.79Å; I175-L231 HydrophobicContact CG2-CD2 4.38Å; L187-L231 HydrophobicContact CD1-CD1 3.32Å; L187-L231 HydrophobicContact CD1-CG 4.36Å; I189-L231 HydrophobicContact CD1-CD1 4.14Å; I189-L231 HydrophobicContact CG1-CD1 3.89Å; L231-I276 HydrophobicContact CD2-CD1 4.04Å; L231-I276 HydrophobicContact CD2-CG2 3.58Å
232	V	96.7	Very high	89	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.1	-176.1	-168.9	0	0	0	0	109.8	S188 Q190 V196 V203 F230 V234	S188-V232 PolarHBondContact N-O 3.35Å; S188-V232 PolarHBondContact O-N 2.89Å; Q190-V232 HydrophobicContact CG-CG2 4.11Å; V196-V232 HydrophobicContact CG1-CG2 3.84Å; V203-V232 HydrophobicContact CG2-CG1 4.11Å; F230-V232 HydrophobicContact CB-CG2 4.38Å; V232-V234 HydrophobicContact CG1-CG2 3.97Å
233	L	96.5	Very high	89.4	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.3	-178.8	-67.1	168.5	0	0	0	109.2	I152 V154 I160 V177 M185 L187 I276	I152-L233 HydrophobicContact CD1-CD1 3.68Å; V154-L233 HydrophobicContact CG2-CB 4.25Å; I160-L233 PolarHBondContact N-O 3.22Å; I160-L233 VanDerWaalsContact N-O 3.14Å; I160-L233 PolarHBondContact O-N 3.14Å; V177-L233 HydrophobicContact CG1-CD2 4.45Å; M185-L233 HydrophobicContact CE-CD2 3.74Å; M185-L233 HydrophobicContact SD-CB 4.4Å; M185-L233 HydrophobicContact SD-CD2 4.03Å; L187-L233 HydrophobicContact CB-CD2 4.12Å; L187-L233 HydrophobicContact CD1-CD2 3.85Å; L233-I276 HydrophobicContact CD1-CD1 3.53Å; L233-I276 HydrophobicContact CD1-CG1 4.09Å
234	V	95.6	Very high	89.5	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121	-176.2	-176.5	0	0	0	0	109.3	P159 M185 I186 D198 V203 V232	P159-V234 HydrophobicContact CB-CG2 4.14Å; M185-V234 CarbonylContact C-O 3.47Å; M185-V234 WeakPolarHBondContact CA-O 3.2Å; M185-V234 WeakPolarHBondContact CG-O 3.36Å; I186-V234 PolarHBondContact N-O 3.28Å; I186-V234 PolarHBondContact O-N 3.49Å; D198-V234 VanDerWaalsContact O-CG2 3.27Å; D198-V234 WeakPolarHBondContact O-CG2 3.44Å; V203-V234 HydrophobicContact CB-CG2 4.04Å; V203-V234 HydrophobicContact CG1-CB 4.39Å; V203-V234 HydrophobicContact CG1-CG2 4.33Å; V203-V234 HydrophobicContact CG2-CB 4.45Å; V203-V234 HydrophobicContact CG2-CG2 3.77Å; V232-V234 HydrophobicContact CG1-CG2 3.97Å
235	L	95.1	Very high	89.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.5	175.1	-156.8	70.3	0	0	0	109.4	V154 P156 I183 C184 M185 R270 K272	V154-L235 HydrophobicContact CG1-CB 4.2Å; P156-L235 WeakPolarHBondContact CA-O 3.46Å; P156-L235 WeakPolarHBondContact CB-O 3.32Å; P156-L235 HydrophobicContact CG-CB 4.1Å; P156-L235 HydrophobicContact CG-CD2 4.1Å; P156-L235 HydrophobicContact CG-CG 4.33Å; I183-L235 HydrophobicContact CG2-CD1 3.76Å; I183-L235 HydrophobicContact CG2-CD2 4.06Å; I183-L235 HydrophobicContact CG2-CG 4.02Å; C184-L235 WeakPolarHBondContact O-CD1 3.43Å; M185-L235 HydrophobicContact CB-CD1 3.94Å; M185-L235 HydrophobicContact CG-CD1 4.25Å; L235-R270 HydrophobicContact CD2-CG 4.06Å; L235-K272 HydrophobicContact CD1-CB 3.55Å; L235-K272 HydrophobicContact CD1-CD 3.57Å; L235-K272 HydrophobicContact CD1-CG 4.22Å; L235-K272 HydrophobicContact CD2-CB 4.14Å
236	K	92.3	Very high	87.9	Confident	22 Å²	22	37.6 Å²	37.6	10%	0.096	20%	0.195	C	C	.	.			trans	-74.5	144.8	177.3	-80.3	-78	179.8	177.9	0	110.1	C184 I186 S200 D201 T238 R270	C184-K236 HydrophobicContact CB-CB 4.33Å; C184-K236 PolarHBondContact O-N 2.97Å; I186-K236 VanDerWaalsContact CD1-CE 3.41Å; I186-K236 HydrophobicContact CG1-CG 4.43Å; S200-K236 WeakPolarHBondContact O-CE 3.3Å; S200-K236 PolarHBondContact O-NZ 2.84Å; S200-K236 PolarHBondContact OG-NZ 3.06Å; D201-K236 IonicContact OD1-NZ 3.95Å; K236-T238 VanDerWaalsContact C-N 3.26Å; K236-T238 VanDerWaalsContact CB-O 3.26Å; K236-T238 WeakPolarHBondContact CB-O 3.24Å; K236-T238 PolarHBondContact O-N 3.17Å; K236-R270 VanDerWaalsContact O-CZ 3.3Å; K236-R270 PolarHBondContact O-NE 3.12Å; K236-R270 PolarHBondContact O-NH2 3Å
237	P	89.1	Confident	86.7	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.071	20%	0.199	C	C	.	.	S	Bend	trans	-65.7	-29.8	179.2	27.1	-34.9	0	0	0	112.7	L90 R270	L90-P237 HydrophobicContact CB-CB 3.92Å; L90-P237 HydrophobicContact CB-CG 4.12Å; L90-P237 HydrophobicContact CD1-CB 4.1Å; L90-P237 HydrophobicContact CD1-CG 4.46Å; P237-R270 WeakPolarHBondContact O-CD 3.16Å; P237-R270 PolarHBondContact O-NE 2.88Å; P237-R270 VanDerWaalsContact O-NE 3.12Å
238	T	87.5	Confident	85.2	Confident	19 Å²	19	36.6 Å²	36.6	12%	0.117	20%	0.198	C	C	.	.	S	Bend	trans	-122.9	170.1	174.5	62	0	0	0	0	110.1	K236 Y240 R270	K236-T238 VanDerWaalsContact C-N 3.26Å; K236-T238 VanDerWaalsContact CB-O 3.26Å; K236-T238 WeakPolarHBondContact CB-O 3.24Å; K236-T238 PolarHBondContact O-N 3.17Å; T238-Y240 HydrophobicContact CG2-CD2 4.13Å; T238-Y240 HydrophobicContact CG2-CE2 3.94Å; T238-Y240 VanDerWaalsContact OG1-CD2 3.29Å; T238-Y240 WeakPolarHBondContact OG1-CD2 3.41Å; T238-R270 PolarHBondContact O-NH2 3.02Å; T238-R270 VanDerWaalsContact O-NH2 3.09Å
239	D	89.7	Confident	83.4	Confident	63 Å²	63	41.9 Å²	41.9	34%	0.337	23%	0.225	S	C	.	.	S	Bend	trans	-93.9	7	178.4	-61.5	-61.3	0	0	0	113.7	C184 A241 C242 S243 R270	C184-D239 HydrophobicContact CB-CB 4.25Å; C184-D239 WeakPolarHBondContact CB-OD1 3.42Å; C184-D239 PolarHBondContact N-OD1 3.4Å; D239-A241 PolarHBondContact O-N 3.33Å; D239-C242 CarbonylContact O-C 3.53Å; D239-C242 PolarHBondContact O-N 3.35Å; D239-S243 PolarHBondContact O-N 3.26Å; D239-S243 PolarHBondContact O-OG 3.5Å; D239-R270 VanDerWaalsContact CG-NH2 3.29Å; D239-R270 IonicContact OD1-CZ 2.71Å; D239-R270 IonicContact OD1-NH1 2.71Å; D239-R270 PolarHBondContact OD1-NH1 3.03Å; D239-R270 IonicContact OD1-NH2 3.9Å; D239-R270 PolarHBondContact OD1-NH2 3.35Å; D239-R270 IonicContact OD2-CZ 3.65Å; D239-R270 IonicContact OD2-NH1 2.68Å; D239-R270 PolarHBondContact OD2-NH1 3.01Å; D239-R270 IonicContact OD2-NH2 3.98Å; D239-R270 PolarHBondContact OD2-NH2 3.49Å
240	Y	86.3	Confident	81.3	Confident	98 Å²	98	46.3 Å²	46.3	38%	0.384	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-44.6	-170.4	-58.8	-37	0	0	0	113.6	T238 C242 S243 G244 I245 E246	T238-Y240 HydrophobicContact CG2-CD2 4.13Å; T238-Y240 HydrophobicContact CG2-CE2 3.94Å; T238-Y240 VanDerWaalsContact OG1-CD2 3.29Å; T238-Y240 WeakPolarHBondContact OG1-CD2 3.41Å; Y240-C242 PolarHBondContact O-N 3.39Å; Y240-S243 WeakPolarHBondContact CA-OG 2.94Å; Y240-S243 PolarHBondContact O-N 3.33Å; Y240-S243 VanDerWaalsContact O-N 3.14Å; Y240-S243 PolarHBondContact O-OG 3.04Å; Y240-G244 PolarHBondContact O-N 3.03Å; Y240-I245 HydrophobicContact CD1-CB 3.95Å; Y240-I245 HydrophobicContact CD1-CD1 4.06Å; Y240-I245 HydrophobicContact CD1-CG2 3.98Å; Y240-I245 HydrophobicContact CE1-CD1 4.33Å; Y240-I245 HydrophobicContact CE1-CG2 4.32Å; Y240-I245 HydrophobicContact CG-CB 4.39Å; Y240-I245 HydrophobicContact CG-CG2 4.43Å; Y240-I245 PolarHBondContact O-N 2.84Å; Y240-E246 VanDerWaalsContact CB-CG 3.41Å; Y240-E246 WeakPolarHBondContact CB-OE1 3.25Å
241	A	86.6	Confident	79.2	Confident	23 Å²	23	49.2 Å²	49.2	19%	0.19	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-32.8	173.8	0	0	0	0	0	113.5	T211 D239 E246	T211-A241 HydrophobicContact CG2-CB 4.25Å; D239-A241 PolarHBondContact O-N 3.33Å; A241-E246 VanDerWaalsContact N-CD 3.34Å; A241-E246 PolarHBondContact N-OE1 2.91Å
242	C	91.6	Very high	77.1	Confident	8 Å²	8	56.6 Å²	56.6	5%	0.054	31%	0.312	C	S	.	.	H	α-helix	trans	-90.5	-18.5	178	-65.1	0	0	0	0	113.5	C184 T213 D239 Y240 T900 A902	C184-C242 WeakPolarHBondContact CA-SG 3.37Å; C184-C242 HydrophobicContact CB-CB 3.56Å; C184-C242 WeakPolarHBondContact CB-SG 3.36Å; C184-C242 WeakPolarHBondContact SG-CB 3.31Å; C184-C242 PolarHBondContact SG-N 2.89Å; C184-C242 CovalentContact SG-SG 2.03Å; C184-C242 PolarHBondContact SG-SG 2.89Å; T213-C242 HydrophobicContact CG2-CB 3.93Å; D239-C242 CarbonylContact O-C 3.53Å; D239-C242 PolarHBondContact O-N 3.35Å; Y240-C242 PolarHBondContact O-N 3.39Å; C242-T900 VanDerWaalsContact O-CB 3.32Å; C242-T900 WeakPolarHBondContact O-CB 3.47Å; C242-T900 WeakPolarHBondContact O-CG2 3.28Å; C242-T900 PolarHBondContact O-OG1 3.28Å; C242-A902 HydrophobicContact CB-CB 3.73Å
243	S	85.9	Confident	74.8	Confident	58 Å²	58	61.7 Å²	61.7	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-97.6	-9.1	176.9	67.8	0	0	0	0	114.1	D239 Y240 I245 T900	D239-S243 PolarHBondContact O-N 3.26Å; D239-S243 PolarHBondContact O-OG 3.5Å; Y240-S243 WeakPolarHBondContact CA-OG 2.94Å; Y240-S243 PolarHBondContact O-N 3.33Å; Y240-S243 VanDerWaalsContact O-N 3.14Å; Y240-S243 PolarHBondContact O-OG 3.04Å; S243-I245 VanDerWaalsContact C-N 3.28Å; S243-I245 WeakPolarHBondContact OG-CD1 3.34Å; S243-I245 WeakPolarHBondContact OG-CG1 3.28Å; S243-T900 WeakPolarHBondContact O-CG2 3.48Å
244	G	77.3	Confident	72.7	Confident	18 Å²	18	67.4 Å²	67.4	19%	0.186	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	15.5	177.3	0	0	0	0	0	113.3	Y240 E246	Y240-G244 PolarHBondContact O-N 3.03Å; G244-E246 VanDerWaalsContact C-N 3.31Å
245	I	68.4	Low	70.4	Confident	70 Å²	70	76.4 Å²	76.4	36%	0.359	42%	0.418	S	S	.	.			trans	-73.7	-26.8	179.9	-68.1	174.8	0	0	0	111.1	Y240 S243 D247 L248 I249	Y240-I245 HydrophobicContact CD1-CB 3.95Å; Y240-I245 HydrophobicContact CD1-CD1 4.06Å; Y240-I245 HydrophobicContact CD1-CG2 3.98Å; Y240-I245 HydrophobicContact CE1-CD1 4.33Å; Y240-I245 HydrophobicContact CE1-CG2 4.32Å; Y240-I245 HydrophobicContact CG-CB 4.39Å; Y240-I245 HydrophobicContact CG-CG2 4.43Å; Y240-I245 PolarHBondContact O-N 2.84Å; S243-I245 VanDerWaalsContact C-N 3.28Å; S243-I245 WeakPolarHBondContact OG-CD1 3.34Å; S243-I245 WeakPolarHBondContact OG-CG1 3.28Å; I245-D247 PolarHBondContact O-N 3.33Å; I245-L248 PolarHBondContact O-N 3.45Å; I245-I249 PolarHBondContact O-N 3.46Å
246	E	61.3	Low	68.1	Low	67 Å²	67	78.6 Å²	78.6	31%	0.313	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32	179.2	-55.9	-175.4	173.9	0	0	112.4	Y240 A241 G244 L248 I249	Y240-E246 VanDerWaalsContact CB-CG 3.41Å; Y240-E246 WeakPolarHBondContact CB-OE1 3.25Å; A241-E246 VanDerWaalsContact N-CD 3.34Å; A241-E246 PolarHBondContact N-OE1 2.91Å; G244-E246 VanDerWaalsContact C-N 3.31Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.43Å; E246-I249 CarbonylContact O-C 3.59Å
247	D	58.5	Low	66	Low	154 Å²	154	85.6 Å²	85.6	82%	0.824	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.1	176.1	-63.3	-38.2	0	0	0	113.3	I245	I245-D247 PolarHBondContact O-N 3.33Å
248	L	53	Low	64.1	Low	143 Å²	143	94 Å²	94	75%	0.749	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-39.8	-177	-71	166	0	0	0	112.1	I245 E246	I245-L248 PolarHBondContact O-N 3.45Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.43Å
249	I	52.7	Low	62.4	Low	112 Å²	112	97.7 Å²	97.7	57%	0.574	54%	0.54	S	S	*	.	S	Bend	trans	-140.9	98.9	178.7	-55.7	177.3	0	0	0	105.8	I245 E246	I245-I249 PolarHBondContact O-N 3.46Å; E246-I249 CarbonylContact O-C 3.59Å
250	P	52.2	Low	60.8	Low	92 Å²	92	102.9 Å²	102.9	60%	0.597	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-57.6	143.8	166.9	26	-33.7	0	0	0	108.2	L252	P250-L252 PolarHBondContact O-N 2.94Å
251	P	51.7	Low	59.6	Low	69 Å²	69	105.5 Å²	105.5	45%	0.448	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-52	129.4	178.1	21.7	-32.5	0	0	0	109.6
252	L	52.1	Low	58.6	Low	156 Å²	156	105.7 Å²	105.7	82%	0.817	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-50.9	125	-175.8	-81.4	145.5	0	0	0	109.9	P250	P250-L252 PolarHBondContact O-N 2.94Å
253	P	47.3	Very low	57.6	Low	108 Å²	108	112.4 Å²	112.4	70%	0.701	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-61.1	150.4	174.1	24.7	-32.6	0	0	0	110.6	Q255	P253-Q255 PolarHBondContact O-N 3.35Å
254	D	53	Low	57	Low	122 Å²	122	113.4 Å²	113.4	65%	0.652	61%	0.608	S	S	*	*	S	Bend	trans	-64.3	36.4	-161.6	-59.4	-77	0	0	0	117.8	S92	S92-D254 VanDerWaalsContact CB-OD1 3.29Å; S92-D254 WeakPolarHBondContact CB-OD1 3.36Å; S92-D254 PolarHBondContact OG-OD1 3.02Å
255	Q	46.5	Very low	57	Low	191 Å²	191	114.5 Å²	114.5	89%	0.893	61%	0.609	S	S	*	*			trans	-133.8	42.6	-170.4	-64.3	-169.8	-11.3	0	0	114.4	P253	P253-Q255 PolarHBondContact O-N 3.35Å
256	G	46.3	Very low	57.2	Low	46 Å²	46	117.5 Å²	117.5	47%	0.474	63%	0.625	S	S	.	*			trans	-92.5	133.1	165.1	0	0	0	0	0	112	F258 S259	G256-F258 PolarHBondContact O-N 2.99Å; G256-S259 PolarHBondContact O-N 3.28Å
257	L	49.3	Very low	57.5	Low	170 Å²	170	118.6 Å²	118.6	89%	0.89	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-9.9	169.3	-169.2	63.4	0	0	0	113
258	F	49.1	Very low	58	Low	186 Å²	186	113.4 Å²	113.4	82%	0.816	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	34.6	173.2	-64.6	-80.8	0	0	0	112.4	G256 H260	G256-F258 PolarHBondContact O-N 2.99Å; F258-H260 PolarHBondContact O-N 3.42Å
259	S	51.4	Low	59.3	Low	98 Å²	98	110 Å²	110	69%	0.685	61%	0.609	S	S	*	*			trans	-64.3	98	166.3	58.8	0	0	0	0	109.5	G256	G256-S259 PolarHBondContact O-N 3.28Å
260	H	55.4	Low	61	Low	172 Å²	172	106.2 Å²	106.2	80%	0.796	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58.8	145.8	165.3	-81	-69.7	0	0	0	109.7	F258	F258-H260 PolarHBondContact O-N 3.42Å
261	E	62	Low	62.9	Low	153 Å²	153	104 Å²	104	72%	0.715	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-53.2	140.3	169.6	-70.6	-178.9	175.4	0	0	110.2	Q263	E261-Q263 PolarHBondContact O-N 2.95Å
262	P	64.9	Low	65	Low	26 Å²	26	100.8 Å²	100.8	17%	0.169	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-52.9	129	176.1	-21.9	27.2	0	0	0	111	P67 V89 S92 A95 I264	P67-P262 HydrophobicContact CG-CB 4.38Å; P67-P262 HydrophobicContact CG-CG 3.97Å; V89-P262 HydrophobicContact CG1-CB 4.28Å; V89-P262 HydrophobicContact CG1-CG 4.12Å; S92-P262 WeakPolarHBondContact O-CG 3.48Å; A95-P262 HydrophobicContact CB-CB 4.24Å; P262-I264 PolarHBondContact O-N 2.72Å
263	Q	71.7	Confident	67	Low	149 Å²	149	97.1 Å²	97.1	70%	0.696	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.9	-179.9	-67.8	-159.4	-2	0	0	110.3	I93 S94 A95 E261 N265	I93-Q263 PolarHBondContact O-N 3.45Å; S94-Q263 WeakPolarHBondContact CA-O 3.27Å; A95-Q263 PolarHBondContact N-O 2.8Å; E261-Q263 PolarHBondContact O-N 2.95Å; Q263-N265 PolarHBondContact O-N 2.82Å
264	I	73.4	Confident	69.3	Low	79 Å²	79	92.1 Å²	92.1	41%	0.405	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	108	177	-64.5	157.5	0	0	0	108.1	P65 A95 P262	P65-I264 HydrophobicContact CB-CG2 4.36Å; P65-I264 HydrophobicContact CG-CG2 3.75Å; P65-I264 WeakPolarHBondContact O-CD1 3.36Å; A95-I264 HydrophobicContact CB-CG1 4.48Å; P262-I264 PolarHBondContact O-N 2.72Å
265	N	77.2	Confident	71.4	Confident	42 Å²	42	90.8 Å²	90.8	23%	0.225	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.1	178.4	-88.4	-42.2	0	0	0	110.7	S94 A95 Y96 Q263 S269	S94-N265 WeakPolarHBondContact CB-ND2 3.14Å; A95-N265 PolarHBondContact O-N 3.3Å; Y96-N265 HydrophobicContact CD1-CB 3.84Å; Y96-N265 HydrophobicContact CE1-CB 3.59Å; Y96-N265 HydrophobicContact CG-CB 4.49Å; Y96-N265 PolarHBondContact OH-ND2 3.5Å; Q263-N265 PolarHBondContact O-N 2.82Å; N265-S269 WeakPolarHBondContact CB-OG 3.17Å; N265-S269 PolarHBondContact OD1-OG 3.43Å
266	L	71.8	Confident	73.8	Confident	132 Å²	132	81.8 Å²	81.8	69%	0.691	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-63.9	149.4	172.2	-74.6	92.9	0	0	0	110.9	G268 S269	L266-G268 PolarHBondContact O-N 3.48Å; L266-S269 VanDerWaalsContact O-CB 3.28Å; L266-S269 WeakPolarHBondContact O-CB 3.49Å; L266-S269 PolarHBondContact O-N 2.99Å; L266-S269 PolarHBondContact O-OG 2.86Å
267	P	66.9	Low	76	Confident	91 Å²	91	81.4 Å²	81.4	59%	0.591	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	128.3	172	-28	36.1	0	0	0	111.9	S269	P267-S269 VanDerWaalsContact C-N 3.31Å; P267-S269 PolarHBondContact O-N 3.45Å
268	G	69.4	Low	78.1	Confident	45 Å²	45	73.4 Å²	73.4	46%	0.464	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-7.3	-179.1	0	0	0	0	0	116.6	L266 R270 S271	L266-G268 PolarHBondContact O-N 3.48Å; G268-R270 PolarHBondContact O-N 3.48Å; G268-R270 VanDerWaalsContact O-N 3.16Å; G268-S271 PolarHBondContact O-OG 2.88Å
269	S	79.9	Confident	80	Confident	70 Å²	70	67.4 Å²	67.4	49%	0.49	38%	0.376	S	S	.	.	S	Bend	trans	-55.1	-37	-176.1	72.1	0	0	0	0	113.6	N265 L266 P267	N265-S269 WeakPolarHBondContact CB-OG 3.17Å; N265-S269 PolarHBondContact OD1-OG 3.43Å; L266-S269 VanDerWaalsContact O-CB 3.28Å; L266-S269 WeakPolarHBondContact O-CB 3.49Å; L266-S269 PolarHBondContact O-N 2.99Å; L266-S269 PolarHBondContact O-OG 2.86Å; P267-S269 VanDerWaalsContact C-N 3.31Å; P267-S269 PolarHBondContact O-N 3.45Å
270	R	89.7	Confident	81.5	Confident	34 Å²	34	63.3 Å²	63.3	13%	0.128	35%	0.348	C	S	.	.	S	Bend	trans	-123.7	96.9	169.6	-172.4	170.2	172.7	95.2	-3.5	108.2	P156 I183 L235 K236 P237 T238 D239 G268	P156-R270 WeakPolarHBondContact CD-O 3.18Å; P156-R270 HydrophobicContact CG-CG 4.36Å; I183-R270 HydrophobicContact CG2-CG 4.29Å; L235-R270 HydrophobicContact CD2-CG 4.06Å; K236-R270 VanDerWaalsContact O-CZ 3.3Å; K236-R270 PolarHBondContact O-NE 3.12Å; K236-R270 PolarHBondContact O-NH2 3Å; P237-R270 WeakPolarHBondContact O-CD 3.16Å; P237-R270 PolarHBondContact O-NE 2.88Å; P237-R270 VanDerWaalsContact O-NE 3.12Å; T238-R270 PolarHBondContact O-NH2 3.02Å; T238-R270 VanDerWaalsContact O-NH2 3.09Å; D239-R270 VanDerWaalsContact CG-NH2 3.29Å; D239-R270 IonicContact OD1-CZ 2.71Å; D239-R270 IonicContact OD1-NH1 2.71Å; D239-R270 PolarHBondContact OD1-NH1 3.03Å; D239-R270 IonicContact OD1-NH2 3.9Å; D239-R270 PolarHBondContact OD1-NH2 3.35Å; D239-R270 IonicContact OD2-CZ 3.65Å; D239-R270 IonicContact OD2-NH1 2.68Å; D239-R270 PolarHBondContact OD2-NH1 3.01Å; D239-R270 IonicContact OD2-NH2 3.98Å; D239-R270 PolarHBondContact OD2-NH2 3.49Å; G268-R270 PolarHBondContact O-N 3.48Å; G268-R270 VanDerWaalsContact O-N 3.16Å
271	S	92.4	Very high	82.3	Confident	46 Å²	46	57.9 Å²	57.9	32%	0.322	33%	0.326	S	S	.	.			trans	-138.9	151.8	178.7	57.6	0	0	0	0	110.4	V154 G268	V154-S271 WeakPolarHBondContact O-CA 3.35Å; G268-S271 PolarHBondContact O-OG 2.88Å
272	K	94.7	Very high	82.6	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.7	-176.4	-171.7	176.2	-178.7	174.6	0	110.7	V153 V154 S179 I183 M185 V212 T213 L235 V274	V153-K272 WeakPolarHBondContact CA-O 3.28Å; V154-K272 PolarHBondContact N-O 3.01Å; V154-K272 PolarHBondContact O-N 3.14Å; S179-K272 VanDerWaalsContact CB-CE 3.44Å; S179-K272 WeakPolarHBondContact OG-CE 3.3Å; S179-K272 WeakPolarHBondContact OG-CG 3.47Å; I183-K272 WeakPolarHBondContact O-CD 3.48Å; I183-K272 WeakPolarHBondContact O-CE 3.4Å; I183-K272 PolarHBondContact O-NZ 3.14Å; M185-K272 HydrophobicContact CB-CD 4.16Å; M185-K272 HydrophobicContact SD-CD 4.1Å; V212-K272 PolarHBondContact O-NZ 3.42Å; T213-K272 WeakPolarHBondContact O-CE 3.32Å; T213-K272 PolarHBondContact O-NZ 3.47Å; L235-K272 HydrophobicContact CD1-CB 3.55Å; L235-K272 HydrophobicContact CD1-CD 3.57Å; L235-K272 HydrophobicContact CD1-CG 4.22Å; L235-K272 HydrophobicContact CD2-CB 4.14Å; K272-V274 HydrophobicContact CB-CG2 4.48Å; K272-V274 HydrophobicContact CD-CG2 4.2Å; K272-V274 HydrophobicContact CG-CG2 3.88Å
273	S	95.1	Very high	82.3	Confident	79 Å²	79	59.9 Å²	59.9	55%	0.552	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.3	170.8	-53.2	0	0	0	0	109.8	I152 S179	I152-S273 CarbonylContact O-C 3.51Å; I152-S273 WeakPolarHBondContact O-CA 3.37Å; S179-S273 WeakPolarHBondContact CB-O 3.46Å; S179-S273 PolarHBondContact OG-O 3.44Å
274	V	96.1	Very high	81.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.8	-171	179.4	0	0	0	0	109.4	S151 I152 V177 M185 K272 I276	S151-V274 CarbonylContact C-O 3.57Å; S151-V274 WeakPolarHBondContact CA-O 3.28Å; I152-V274 HydrophobicContact CG1-CB 4.31Å; I152-V274 PolarHBondContact N-O 2.94Å; I152-V274 PolarHBondContact O-N 2.87Å; V177-V274 HydrophobicContact CG1-CG1 3.35Å; M185-V274 HydrophobicContact CE-CG1 4.41Å; M185-V274 HydrophobicContact CE-CG2 4.16Å; M185-V274 HydrophobicContact SD-CG2 3.82Å; K272-V274 HydrophobicContact CB-CG2 4.48Å; K272-V274 HydrophobicContact CD-CG2 4.2Å; K272-V274 HydrophobicContact CG-CG2 3.88Å; V274-I276 HydrophobicContact CG1-CG1 4.18Å
275	K	96.4	Very high	80.7	Confident	94 Å²	94	62.5 Å²	62.5	41%	0.409	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.5	166	-71.7	-171.2	162.4	-150.1	0	109.5	E149 R150 V177 V178	E149-K275 WeakPolarHBondContact OE2-CE 3.43Å; E149-K275 IonicContact OE2-NZ 2.72Å; E149-K275 PolarHBondContact OE2-NZ 3.36Å; R150-K275 CarbonylContact O-C 3.53Å; R150-K275 WeakPolarHBondContact O-CA 3.3Å; V177-K275 CarbonylContact C-O 3.59Å; V177-K275 WeakPolarHBondContact CA-O 3.37Å; V178-K275 HydrophobicContact CB-CB 4.45Å; V178-K275 PolarHBondContact N-O 2.69Å; V178-K275 PolarHBondContact O-N 2.94Å
276	I	95.6	Very high	80.2	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.7	176.9	-54.2	165.8	0	0	0	107.4	L144 E149 R150 I152 L162 K176 L231 L233 V274 I278	L144-I276 HydrophobicContact CD1-CG2 4.38Å; E149-I276 CarbonylContact C-O 3.58Å; E149-I276 WeakPolarHBondContact CA-O 3.24Å; R150-I276 PolarHBondContact N-O 3.09Å; R150-I276 PolarHBondContact O-N 3.29Å; I152-I276 HydrophobicContact CD1-CD1 3.77Å; I152-I276 HydrophobicContact CG1-CD1 4.11Å; L162-I276 HydrophobicContact CD1-CD1 4.09Å; K176-I276 WeakPolarHBondContact O-CA 3.4Å; L231-I276 HydrophobicContact CD2-CD1 4.04Å; L231-I276 HydrophobicContact CD2-CG2 3.58Å; L233-I276 HydrophobicContact CD1-CD1 3.53Å; L233-I276 HydrophobicContact CD1-CG1 4.09Å; V274-I276 HydrophobicContact CG1-CG1 4.18Å; I276-I278 HydrophobicContact CG2-CG1 4.36Å
277	L	94.5	Very high	80.5	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.199	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.1	172	176.4	64.3	0	0	0	108.2	E149 K176	E149-L277 HydrophobicContact CG-CD1 4.25Å; K176-L277 HydrophobicContact CB-CB 4.49Å; K176-L277 PolarHBondContact N-O 3.03Å; K176-L277 PolarHBondContact O-N 3.38Å
278	I	93.4	Very high	81.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109	174.6	-57.9	-174.3	0	0	0	110.1	L144 S146 G147 Y164 A173 E174 I175 F229 I276	L144-I278 HydrophobicContact CB-CD1 4.14Å; L144-I278 HydrophobicContact CD1-CD1 3.68Å; S146-I278 CarbonylContact C-O 3.55Å; S146-I278 WeakPolarHBondContact CA-O 3.37Å; S146-I278 WeakPolarHBondContact CB-O 3.27Å; S146-I278 PolarHBondContact OG-O 2.78Å; G147-I278 PolarHBondContact N-O 3.37Å; Y164-I278 HydrophobicContact CD2-CB 4.37Å; Y164-I278 HydrophobicContact CD2-CD1 3.7Å; Y164-I278 HydrophobicContact CD2-CG2 3.98Å; Y164-I278 HydrophobicContact CE1-CG2 4.26Å; Y164-I278 HydrophobicContact CE2-CB 4.17Å; Y164-I278 HydrophobicContact CE2-CD1 4.35Å; Y164-I278 HydrophobicContact CE2-CG2 3.6Å; Y164-I278 HydrophobicContact CG-CD1 3.97Å; Y164-I278 HydrophobicContact CG-CG2 4.46Å; A173-I278 HydrophobicContact CB-CG2 4.03Å; E174-I278 CarbonylContact O-C 3.6Å; E174-I278 WeakPolarHBondContact O-CA 3.47Å; I175-I278 HydrophobicContact CB-CG1 4.48Å; I175-I278 HydrophobicContact CG1-CD1 4.11Å; I175-I278 HydrophobicContact CG1-CG1 4.12Å; I175-I278 HydrophobicContact CG2-CG1 4.23Å; F229-I278 HydrophobicContact CE2-CD1 4.38Å; F229-I278 HydrophobicContact CZ-CD1 4.38Å; I276-I278 HydrophobicContact CG2-CG1 4.36Å
279	N	88.7	Confident	82.1	Confident	60 Å²	60	63.2 Å²	63.2	32%	0.321	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.5	174.9	-72.7	-23.1	0	0	0	109.9	A173 E174	A173-N279 WeakPolarHBondContact CA-O 3.34Å; E174-N279 HydrophobicContact CB-CB 4.41Å; E174-N279 PolarHBondContact N-O 3.42Å; E174-N279 PolarHBondContact O-N 3.42Å
280	S	82.6	Confident	82.5	Confident	13 Å²	13	60 Å²	60	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.6	179.4	53.8	0	0	0	0	111	S146 Y164 K170 S172	S146-S280 VanDerWaalsContact CB-OG 3.24Å; S146-S280 WeakPolarHBondContact CB-OG 3.27Å; S146-S280 VanDerWaalsContact OG-CB 3.24Å; S146-S280 WeakPolarHBondContact OG-CB 3.41Å; S146-S280 PolarHBondContact OG-N 2.9Å; S146-S280 PolarHBondContact OG-OG 3.18Å; Y164-S280 WeakPolarHBondContact OH-CB 3.42Å; K170-S280 VanDerWaalsContact CD-CB 3.43Å; K170-S280 WeakPolarHBondContact CD-O 3.41Å; K170-S280 WeakPolarHBondContact CD-OG 3.21Å; K170-S280 PolarHBondContact NZ-O 2.95Å; K170-S280 PolarHBondContact NZ-OG 2.98Å; S172-S280 WeakPolarHBondContact O-CA 3.35Å
281	T	72.8	Confident	82.6	Confident	57 Å²	57	60 Å²	60	35%	0.35	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	163.7	-173.2	50.8	0	0	0	0	111.7	S172	S172-T281 WeakPolarHBondContact CB-OG1 3.37Å; S172-T281 PolarHBondContact O-N 2.91Å; S172-T281 VanDerWaalsContact O-N 3.11Å; S172-T281 PolarHBondContact OG-O 3.49Å; S172-T281 PolarHBondContact OG-OG1 2.83Å
282	H	66.7	Low	82.5	Confident	123 Å²	123	62.9 Å²	62.9	57%	0.569	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-87	145.7	177.4	-156.7	-79.1	0	0	0	110.7	R284	H282-R284 PolarHBondContact O-N 3.38Å
283	R	59.6	Low	82.3	Confident	98 Å²	98	64.3 Å²	64.3	37%	0.37	32%	0.324	S	S	.	.	S	Bend	trans	-60.9	118.8	-170.7	-158.9	-165.3	-154.4	-175.9	4.3	113.4	K171 W285	K171-R283 HydrophobicContact CB-CB 4.03Å; K171-R283 HydrophobicContact CB-CG 4.11Å; K171-R283 HydrophobicContact CD-CB 4.18Å; K171-R283 HydrophobicContact CD-CG 4.2Å; R283-W285 PolarHBondContact O-N 3.2Å
284	R	56.7	Low	82.1	Confident	85 Å²	85	61 Å²	61	32%	0.321	30%	0.301	S	S	.	.	S	Bend	trans	48.8	-9.5	153	-63.3	-174.8	-167.7	-169.9	-0.7	121	D221 H282 P286 Y287	D221-R284 IonicContact OD2-CZ 2.77Å; D221-R284 IonicContact OD2-NE 2.75Å; D221-R284 PolarHBondContact OD2-NE 2.87Å; D221-R284 IonicContact OD2-NH2 2.88Å; D221-R284 PolarHBondContact OD2-NH2 3.11Å; H282-R284 PolarHBondContact O-N 3.38Å; R284-P286 VanDerWaalsContact C-CD 3.43Å; R284-Y287 HydrophobicContact CB-CD2 4.39Å; R284-Y287 HydrophobicContact CG-CD2 4.45Å; R284-Y287 HydrophobicContact CG-CE2 4.24Å
285	W	53.7	Low	82	Confident	198 Å²	198	62.8 Å²	62.8	75%	0.75	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-64.9	-32.8	171.2	-85.5	99.6	0	0	0	115.8	R283 Y287 L288	R283-W285 PolarHBondContact O-N 3.2Å; W285-Y287 PolarHBondContact O-N 3.29Å; W285-Y287 VanDerWaalsContact O-N 3.11Å; W285-L288 HydrophobicContact CZ3-CD2 4.03Å; W285-L288 PolarHBondContact O-N 3.25Å
286	P	68.5	Low	81.9	Confident	79 Å²	79	60 Å²	60	51%	0.513	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-67.3	-13	-178.3	26.1	-34.5	0	0	0	113.9	R284 P290	R284-P286 VanDerWaalsContact C-CD 3.43Å; P286-P290 WeakPolarHBondContact O-CD 3.42Å; P286-P290 WeakPolarHBondContact O-CG 3.27Å
287	Y	76.9	Confident	81.8	Confident	35 Å²	35	63.2 Å²	63.2	14%	0.137	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-81.1	-26	-178.7	-53.7	-28.9	0	0	0	113.7	R284 W285 L289 P290 I291 H620 F916	R284-Y287 HydrophobicContact CB-CD2 4.39Å; R284-Y287 HydrophobicContact CG-CD2 4.45Å; R284-Y287 HydrophobicContact CG-CE2 4.24Å; W285-Y287 PolarHBondContact O-N 3.29Å; W285-Y287 VanDerWaalsContact O-N 3.11Å; Y287-L289 PolarHBondContact O-N 3.06Å; Y287-P290 WeakPolarHBondContact O-CD 3.49Å; Y287-P290 WeakPolarHBondContact O-CG 3.39Å; Y287-I291 WeakPolarHBondContact O-CB 3.49Å; Y287-I291 VanDerWaalsContact O-CD1 3.24Å; Y287-I291 WeakPolarHBondContact O-CD1 3.35Å; Y287-I291 WeakPolarHBondContact O-CG1 3.42Å; Y287-I291 PolarHBondContact O-N 3.29Å; Y287-H620 HydrophobicContact CE1-CB 3.92Å; Y287-H620 AromaticContact CE1-CG 3.64Å; Y287-H620 AromaticContact CE1-ND1 3.36Å; Y287-H620 WeakPolarHBondContact CE1-ND1 3.28Å; Y287-H620 AromaticContact CZ-CG 3.98Å; Y287-H620 AromaticContact CZ-ND1 3.59Å; Y287-H620 PolarHBondContact OH-ND1 3.39Å; Y287-F916 AromaticContact CD1-CD2 3.39Å; Y287-F916 HydrophobicContact CD1-CD2 3.39Å; Y287-F916 AromaticContact CD1-CE2 3.31Å; Y287-F916 HydrophobicContact CD1-CE2 3.31Å; Y287-F916 HydrophobicContact CD1-CZ 4.5Å; Y287-F916 AromaticContact CE1-CD2 3.81Å; Y287-F916 HydrophobicContact CE1-CD2 3.81Å; Y287-F916 AromaticContact CE1-CE2 3.81Å; Y287-F916 HydrophobicContact CE1-CE2 3.81Å; Y287-F916 HydrophobicContact CG-CD2 4.26Å; Y287-F916 AromaticContact CG-CE2 3.78Å; Y287-F916 HydrophobicContact CG-CE2 3.78Å
288	L	83.4	Confident	81.9	Confident	84 Å²	84	61.6 Å²	61.6	44%	0.44	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-38.3	-176.4	-174.1	65.5	0	0	0	111.9	W285 L292	W285-L288 HydrophobicContact CZ3-CD2 4.03Å; W285-L288 PolarHBondContact O-N 3.25Å; L288-L292 HydrophobicContact CD1-CD1 3.85Å; L288-L292 HydrophobicContact CD1-CD2 4.47Å; L288-L292 HydrophobicContact CD1-CG 3.89Å; L288-L292 HydrophobicContact CD2-CD1 4.26Å; L288-L292 HydrophobicContact CG-CD1 3.71Å; L288-L292 HydrophobicContact CG-CG 4.11Å; L288-L292 VanDerWaalsContact O-CB 3.26Å; L288-L292 WeakPolarHBondContact O-CB 3.17Å; L288-L292 VanDerWaalsContact O-CG 3.24Å; L288-L292 WeakPolarHBondContact O-CG 3.28Å; L288-L292 PolarHBondContact O-N 3.05Å
289	L	86.6	Confident	82	Confident	128 Å²	128	65.8 Å²	65.8	67%	0.67	34%	0.342	S	S	*	.	H	α-helix	trans	-62.7	-54.1	179.2	-179.6	63.8	0	0	0	113.5	Y287 L292 G293	Y287-L289 PolarHBondContact O-N 3.06Å; L289-L292 PolarHBondContact O-N 3.15Å; L289-G293 PolarHBondContact O-N 2.78Å
290	P	88.8	Confident	82.3	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.013	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-39.1	177.2	22.4	-31.4	0	0	0	112.6	P286 Y287 G293 A294 L914 F916 Y917	P286-P290 WeakPolarHBondContact O-CD 3.42Å; P286-P290 WeakPolarHBondContact O-CG 3.27Å; Y287-P290 WeakPolarHBondContact O-CD 3.49Å; Y287-P290 WeakPolarHBondContact O-CG 3.39Å; P290-G293 PolarHBondContact O-N 3.36Å; P290-A294 WeakPolarHBondContact O-CB 3.46Å; P290-A294 PolarHBondContact O-N 3.03Å; P290-L914 HydrophobicContact CB-CB 4.17Å; P290-L914 HydrophobicContact CB-CD1 3.97Å; P290-F916 HydrophobicContact CB-CB 3.93Å; P290-F916 HydrophobicContact CB-CD1 3.71Å; P290-F916 HydrophobicContact CB-CG 3.97Å; P290-F916 HydrophobicContact CG-CB 3.7Å; P290-F916 HydrophobicContact CG-CD1 3.72Å; P290-F916 HydrophobicContact CG-CD2 4.21Å; P290-F916 HydrophobicContact CG-CE1 4.4Å; P290-F916 HydrophobicContact CG-CG 3.59Å; P290-Y917 HydrophobicContact CB-CD2 4.21Å; P290-Y917 HydrophobicContact CB-CE2 3.55Å; P290-Y917 PolarHBondContact O-OH 3.17Å
291	I	90.8	Very high	82.9	Confident	34 Å²	34	69 Å²	69	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-50.2	176.8	-65.6	165.9	0	0	0	111.1	Y287 G293 A294 V295 F628 I632 F916	Y287-I291 WeakPolarHBondContact O-CB 3.49Å; Y287-I291 VanDerWaalsContact O-CD1 3.24Å; Y287-I291 WeakPolarHBondContact O-CD1 3.35Å; Y287-I291 WeakPolarHBondContact O-CG1 3.42Å; Y287-I291 PolarHBondContact O-N 3.29Å; I291-G293 VanDerWaalsContact C-N 3.29Å; I291-G293 PolarHBondContact O-N 3.3Å; I291-A294 PolarHBondContact O-N 2.91Å; I291-V295 WeakPolarHBondContact O-CG2 3.39Å; I291-V295 PolarHBondContact O-N 2.82Å; I291-F628 HydrophobicContact CD1-CD1 4.31Å; I291-F628 HydrophobicContact CD1-CE1 3.71Å; I291-F628 HydrophobicContact CG1-CE1 4.34Å; I291-I632 HydrophobicContact CG2-CG1 4.37Å; I291-F916 HydrophobicContact CG1-CE1 4.31Å; I291-F916 HydrophobicContact CG1-CZ 4.4Å
292	L	91.1	Very high	84	Confident	106 Å²	106	69.1 Å²	69.1	56%	0.555	35%	0.351	S	S	*	.	H	α-helix	trans	-66.4	-31.8	177	-70.2	-179.2	0	0	0	112.1	L288 L289 G296	L288-L292 HydrophobicContact CD1-CD1 3.85Å; L288-L292 HydrophobicContact CD1-CD2 4.47Å; L288-L292 HydrophobicContact CD1-CG 3.89Å; L288-L292 HydrophobicContact CD2-CD1 4.26Å; L288-L292 HydrophobicContact CG-CD1 3.71Å; L288-L292 HydrophobicContact CG-CG 4.11Å; L288-L292 VanDerWaalsContact O-CB 3.26Å; L288-L292 WeakPolarHBondContact O-CB 3.17Å; L288-L292 VanDerWaalsContact O-CG 3.24Å; L288-L292 WeakPolarHBondContact O-CG 3.28Å; L288-L292 PolarHBondContact O-N 3.05Å; L289-L292 PolarHBondContact O-N 3.15Å; L292-G296 WeakPolarHBondContact O-CA 3.42Å; L292-G296 PolarHBondContact O-N 2.95Å
293	G	90	Very high	85.4	Confident	32 Å²	32	66.8 Å²	66.8	33%	0.33	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-47	174	0	0	0	0	0	112.4	L289 P290 I291 T297	L289-G293 PolarHBondContact O-N 2.78Å; P290-G293 PolarHBondContact O-N 3.36Å; I291-G293 VanDerWaalsContact C-N 3.29Å; I291-G293 PolarHBondContact O-N 3.3Å; G293-T297 WeakPolarHBondContact O-CB 3.25Å; G293-T297 PolarHBondContact O-N 3.43Å; G293-T297 PolarHBondContact O-OG1 3.25Å
294	A	91.5	Very high	87	Confident	9 Å²	9	65.4 Å²	65.4	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-54	176.4	0	0	0	0	0	111.5	P290 I291 G296 T297 Y298 F925	P290-A294 WeakPolarHBondContact O-CB 3.46Å; P290-A294 PolarHBondContact O-N 3.03Å; I291-A294 PolarHBondContact O-N 2.91Å; A294-G296 VanDerWaalsContact C-N 3.33Å; A294-G296 PolarHBondContact O-N 2.81Å; A294-T297 WeakPolarHBondContact O-CB 3.49Å; A294-T297 PolarHBondContact O-N 2.93Å; A294-T297 VanDerWaalsContact O-N 3.16Å; A294-Y298 WeakPolarHBondContact O-CD2 3.41Å; A294-Y298 PolarHBondContact O-N 3.29Å; A294-F925 HydrophobicContact CB-CE1 3.9Å; A294-F925 HydrophobicContact CB-CZ 3.74Å
295	V	94.3	Very high	88.7	Confident	40 Å²	40	62.2 Å²	62.2	24%	0.242	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-42.4	178.5	175.5	0	0	0	0	111.2	I291 T297 Y298 L299 M639	I291-V295 WeakPolarHBondContact O-CG2 3.39Å; I291-V295 PolarHBondContact O-N 2.82Å; V295-T297 VanDerWaalsContact C-N 3.32Å; V295-T297 PolarHBondContact O-N 3.48Å; V295-Y298 PolarHBondContact O-N 3.43Å; V295-L299 HydrophobicContact CG1-CD1 4.1Å; V295-L299 HydrophobicContact CG1-CG 4.29Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.18Å; V295-M639 HydrophobicContact CG1-SD 4.44Å
296	G	94.6	Very high	90.6	Very high	34 Å²	34	57.3 Å²	57.3	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-37.9	176	0	0	0	0	0	113.2	L292 A294 Y298 L299 L300	L292-G296 WeakPolarHBondContact O-CA 3.42Å; L292-G296 PolarHBondContact O-N 2.95Å; A294-G296 VanDerWaalsContact C-N 3.33Å; A294-G296 PolarHBondContact O-N 2.81Å; G296-Y298 PolarHBondContact O-N 2.83Å; G296-L299 PolarHBondContact O-N 3.45Å; G296-L300 PolarHBondContact O-N 3.04Å
297	T	93.3	Very high	91.8	Very high	71 Å²	71	57.6 Å²	57.6	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-42.8	174.2	-61.5	0	0	0	0	111	G293 A294 V295 L300 F301	G293-T297 WeakPolarHBondContact O-CB 3.25Å; G293-T297 PolarHBondContact O-N 3.43Å; G293-T297 PolarHBondContact O-OG1 3.25Å; A294-T297 WeakPolarHBondContact O-CB 3.49Å; A294-T297 PolarHBondContact O-N 2.93Å; A294-T297 VanDerWaalsContact O-N 3.16Å; V295-T297 VanDerWaalsContact C-N 3.32Å; V295-T297 PolarHBondContact O-N 3.48Å; T297-L300 WeakPolarHBondContact O-CB 3.47Å; T297-L300 PolarHBondContact O-N 3.39Å; T297-F301 WeakPolarHBondContact O-CD2 3.38Å
298	Y	95.7	Very high	92.4	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-72.6	-36.2	175.6	-66.3	-63.2	0	0	0	113.2	A294 V295 G296 L300 F301 Y302 I635 G636 M639 L640 F925 S928 I929	A294-Y298 WeakPolarHBondContact O-CD2 3.41Å; A294-Y298 PolarHBondContact O-N 3.29Å; V295-Y298 PolarHBondContact O-N 3.43Å; G296-Y298 PolarHBondContact O-N 2.83Å; Y298-L300 PolarHBondContact O-N 3.01Å; Y298-F301 WeakPolarHBondContact O-CB 3.33Å; Y298-F301 PolarHBondContact O-N 2.74Å; Y298-F301 VanDerWaalsContact O-N 3.08Å; Y298-Y302 WeakPolarHBondContact O-CD2 3.24Å; Y298-Y302 PolarHBondContact O-N 3.06Å; Y298-I635 HydrophobicContact CD2-CG2 4.18Å; Y298-I635 HydrophobicContact CE2-CG2 4.22Å; Y298-G636 VanDerWaalsContact CE1-CA 3.49Å; Y298-M639 HydrophobicContact CD2-SD 4.47Å; Y298-M639 HydrophobicContact CG-SD 4.35Å; Y298-L640 HydrophobicContact CD1-CD1 3.88Å; Y298-L640 HydrophobicContact CD1-CD2 4.18Å; Y298-L640 HydrophobicContact CD1-CG 3.83Å; Y298-L640 HydrophobicContact CE1-CD1 3.67Å; Y298-L640 HydrophobicContact CE1-CG 4.11Å; Y298-F925 HydrophobicContact CE2-CD1 4.01Å; Y298-F925 HydrophobicContact CE2-CE1 4.25Å; Y298-F925 VanDerWaalsContact OH-CA 3.31Å; Y298-F925 WeakPolarHBondContact OH-CA 3.48Å; Y298-F925 VanDerWaalsContact OH-CD1 3.29Å; Y298-F925 WeakPolarHBondContact OH-CD1 3.34Å; Y298-F925 PolarHBondContact OH-O 3.38Å; Y298-S928 PolarHBondContact OH-OG 2.96Å; Y298-S928 VanDerWaalsContact OH-OG 3.07Å; Y298-I929 HydrophobicContact CE1-CD1 4.36Å; Y298-I929 HydrophobicContact CE1-CG1 3.99Å
299	L	95.4	Very high	92.7	Very high	90 Å²	90	58.4 Å²	58.4	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-31.6	171.8	-71.3	175.4	0	0	0	112.1	V295 G296 F301 Y302 V303 M639	V295-L299 HydrophobicContact CG1-CD1 4.1Å; V295-L299 HydrophobicContact CG1-CG 4.29Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.18Å; G296-L299 PolarHBondContact O-N 3.45Å; L299-F301 VanDerWaalsContact C-N 3.3Å; L299-F301 PolarHBondContact O-N 3.31Å; L299-Y302 WeakPolarHBondContact O-CB 3.33Å; L299-Y302 PolarHBondContact O-N 2.86Å; L299-Y302 VanDerWaalsContact O-N 3.13Å; L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 3.32Å; L299-M639 HydrophobicContact CD2-CE 3.79Å; L299-M639 HydrophobicContact CG-CE 3.96Å
300	L	95.5	Very high	92.9	Very high	102 Å²	102	57.6 Å²	57.6	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-37.5	173.6	-175.5	63.4	0	0	0	112.2	G296 T297 Y298 Y302 V303 V304	G296-L300 PolarHBondContact O-N 3.04Å; T297-L300 WeakPolarHBondContact O-CB 3.47Å; T297-L300 PolarHBondContact O-N 3.39Å; Y298-L300 PolarHBondContact O-N 3.01Å; L300-Y302 VanDerWaalsContact C-N 3.31Å; L300-Y302 PolarHBondContact O-N 3.39Å; L300-V303 PolarHBondContact O-N 2.94Å; L300-V304 HydrophobicContact CD1-CG2 4.08Å; L300-V304 HydrophobicContact CG-CG2 4.19Å; L300-V304 WeakPolarHBondContact O-CB 3.26Å; L300-V304 VanDerWaalsContact O-CG2 3.29Å; L300-V304 WeakPolarHBondContact O-CG2 3.44Å; L300-V304 PolarHBondContact O-N 2.89Å
301	F	95	Very high	93.1	Very high	39 Å²	39	62.5 Å²	62.5	17%	0.171	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-38.8	174.4	-78.8	-109.8	0	0	0	111.8	T297 Y298 L299 T305 L640 L643 I929 F932 F933	T297-F301 WeakPolarHBondContact O-CD2 3.38Å; Y298-F301 WeakPolarHBondContact O-CB 3.33Å; Y298-F301 PolarHBondContact O-N 2.74Å; Y298-F301 VanDerWaalsContact O-N 3.08Å; L299-F301 VanDerWaalsContact C-N 3.3Å; L299-F301 PolarHBondContact O-N 3.31Å; F301-T305 WeakPolarHBondContact O-CB 3.49Å; F301-T305 PolarHBondContact O-N 2.87Å; F301-T305 PolarHBondContact O-OG1 3.29Å; F301-L640 HydrophobicContact CB-CD2 3.92Å; F301-L640 HydrophobicContact CD1-CD2 3.8Å; F301-L640 HydrophobicContact CD2-CD2 4.44Å; F301-L640 HydrophobicContact CE1-CD2 4.41Å; F301-L640 HydrophobicContact CG-CD2 3.82Å; F301-L643 HydrophobicContact CB-CD2 3.85Å; F301-I929 HydrophobicContact CE1-CG2 4.47Å; F301-I929 HydrophobicContact CE2-CD1 4.32Å; F301-I929 HydrophobicContact CE2-CG1 4.36Å; F301-I929 HydrophobicContact CZ-CD1 4.19Å; F301-I929 HydrophobicContact CZ-CG1 3.97Å; F301-I929 HydrophobicContact CZ-CG2 3.98Å; F301-F932 HydrophobicContact CD1-CD1 4.11Å; F301-F932 AromaticContact CD1-CE1 3.95Å; F301-F932 HydrophobicContact CD1-CE1 3.95Å; F301-F932 HydrophobicContact CE1-CD1 4.15Å; F301-F932 HydrophobicContact CE1-CE1 4.36Å; F301-F933 AromaticContact CE1-CE1 3.76Å; F301-F933 HydrophobicContact CE1-CE1 3.76Å; F301-F933 AromaticContact CE1-CZ 3.65Å; F301-F933 HydrophobicContact CE1-CZ 3.65Å; F301-F933 AromaticContact CZ-CZ 4Å; F301-F933 HydrophobicContact CZ-CZ 4Å
302	Y	95.9	Very high	92.9	Very high	59 Å²	59	67 Å²	67	23%	0.231	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-47.8	173.9	-78.8	-108.2	0	0	0	111.2	Y298 L299 L300 T305 I306 M639 L643	Y298-Y302 WeakPolarHBondContact O-CD2 3.24Å; Y298-Y302 PolarHBondContact O-N 3.06Å; L299-Y302 WeakPolarHBondContact O-CB 3.33Å; L299-Y302 PolarHBondContact O-N 2.86Å; L299-Y302 VanDerWaalsContact O-N 3.13Å; L300-Y302 VanDerWaalsContact C-N 3.31Å; L300-Y302 PolarHBondContact O-N 3.39Å; Y302-T305 WeakPolarHBondContact O-CB 3.46Å; Y302-T305 PolarHBondContact O-N 3.14Å; Y302-I306 VanDerWaalsContact O-CG1 3.27Å; Y302-I306 WeakPolarHBondContact O-CG1 3.22Å; Y302-I306 PolarHBondContact O-N 2.92Å; Y302-M639 HydrophobicContact CE2-CB 4.26Å; Y302-M639 HydrophobicContact CE2-CE 4.26Å; Y302-M639 WeakPolarHBondContact CE2-O 3.21Å; Y302-M639 PolarHBondContact OH-O 3.5Å; Y302-L643 HydrophobicContact CD1-CD1 3.89Å; Y302-L643 HydrophobicContact CD2-CB 4.45Å; Y302-L643 HydrophobicContact CD2-CD1 4.34Å; Y302-L643 HydrophobicContact CD2-CD2 4.1Å; Y302-L643 HydrophobicContact CE1-CB 4.26Å; Y302-L643 HydrophobicContact CE1-CD1 4.03Å; Y302-L643 HydrophobicContact CE2-CB 3.85Å; Y302-L643 HydrophobicContact CE2-CD1 4.46Å; Y302-L643 HydrophobicContact CE2-CD2 4.26Å; Y302-L643 HydrophobicContact CE2-CG 4.42Å; Y302-L643 HydrophobicContact CG-CD1 4.06Å; Y302-L643 PolarHBondContact OH-N 3.48Å
303	V	95.8	Very high	92.7	Very high	75 Å²	75	66.1 Å²	66.1	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-48.5	179.4	172.8	0	0	0	0	111.4	L299 L300 T305 I306 I307	L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 3.32Å; L300-V303 PolarHBondContact O-N 2.94Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 2.94Å; V303-I306 PolarHBondContact O-N 3.19Å; V303-I307 HydrophobicContact CG1-CD1 3.84Å; V303-I307 VanDerWaalsContact O-CG1 3.3Å; V303-I307 WeakPolarHBondContact O-CG1 3.33Å; V303-I307 PolarHBondContact O-N 3.27Å
304	V	94.1	Very high	92.6	Very high	68 Å²	68	73.9 Å²	73.9	41%	0.412	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-42.7	175.7	170.1	0	0	0	0	110.7	L300 I307 I308	L300-V304 HydrophobicContact CD1-CG2 4.08Å; L300-V304 HydrophobicContact CG-CG2 4.19Å; L300-V304 WeakPolarHBondContact O-CB 3.26Å; L300-V304 VanDerWaalsContact O-CG2 3.29Å; L300-V304 WeakPolarHBondContact O-CG2 3.44Å; L300-V304 PolarHBondContact O-N 2.89Å; V304-I307 PolarHBondContact O-N 3.06Å; V304-I308 HydrophobicContact CG1-CD1 3.79Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.41Å; V304-I308 PolarHBondContact O-N 3.31Å
305	T	92	Very high	92.4	Very high	19 Å²	19	76.2 Å²	76.2	12%	0.117	40%	0.395	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.9	-65.2	0	0	0	0	111.9	F301 Y302 V303 I307 I308 I309 L643 L647	F301-T305 WeakPolarHBondContact O-CB 3.49Å; F301-T305 PolarHBondContact O-N 2.87Å; F301-T305 PolarHBondContact O-OG1 3.29Å; Y302-T305 WeakPolarHBondContact O-CB 3.46Å; Y302-T305 PolarHBondContact O-N 3.14Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 2.94Å; T305-I307 PolarHBondContact O-N 3.17Å; T305-I308 PolarHBondContact O-N 3.08Å; T305-I309 HydrophobicContact CG2-CD1 3.77Å; T305-I309 HydrophobicContact CG2-CG1 4.4Å; T305-I309 WeakPolarHBondContact O-CG1 3.34Å; T305-I309 PolarHBondContact O-N 2.97Å; T305-L643 HydrophobicContact CG2-CD1 4.04Å; T305-L647 HydrophobicContact CG2-CD1 4.22Å; T305-L647 HydrophobicContact CG2-CD2 3.66Å; T305-L647 HydrophobicContact CG2-CG 4.16Å
306	I	93.2	Very high	91.9	Very high	95 Å²	95	77 Å²	77	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.4	-70.2	162.8	0	0	0	110.4	Y302 V303 I308 I309 L310	Y302-I306 VanDerWaalsContact O-CG1 3.27Å; Y302-I306 WeakPolarHBondContact O-CG1 3.22Å; Y302-I306 PolarHBondContact O-N 2.92Å; V303-I306 PolarHBondContact O-N 3.19Å; I306-I308 PolarHBondContact O-N 3.24Å; I306-I309 PolarHBondContact O-N 2.96Å; I306-L310 HydrophobicContact CG2-CD1 3.89Å; I306-L310 HydrophobicContact CG2-CG 4.32Å; I306-L310 WeakPolarHBondContact O-CB 3.37Å; I306-L310 VanDerWaalsContact O-CG 3.28Å; I306-L310 WeakPolarHBondContact O-CG 3.49Å; I306-L310 PolarHBondContact O-N 3.3Å
307	I	93.8	Very high	91.4	Very high	85 Å²	85	83 Å²	83	44%	0.436	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-46.9	175.7	-68.8	165.8	0	0	0	110.7	V303 V304 T305 I309 L310 L311	V303-I307 HydrophobicContact CG1-CD1 3.84Å; V303-I307 VanDerWaalsContact O-CG1 3.3Å; V303-I307 WeakPolarHBondContact O-CG1 3.33Å; V303-I307 PolarHBondContact O-N 3.27Å; V304-I307 PolarHBondContact O-N 3.06Å; T305-I307 PolarHBondContact O-N 3.17Å; I307-I309 VanDerWaalsContact C-N 3.33Å; I307-I309 PolarHBondContact O-N 3.09Å; I307-L310 PolarHBondContact O-N 3.25Å; I307-L311 HydrophobicContact CG2-CD1 3.85Å; I307-L311 HydrophobicContact CG2-CG 4.27Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.28Å; I307-L311 WeakPolarHBondContact O-CG 3.37Å; I307-L311 PolarHBondContact O-N 3.25Å
308	I	90.1	Very high	91	Very high	91 Å²	91	88.5 Å²	88.5	47%	0.467	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-42.1	176.4	-69.7	166.4	0	0	0	111.2	V304 T305 I306 L311 Y312	V304-I308 HydrophobicContact CG1-CD1 3.79Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.41Å; V304-I308 PolarHBondContact O-N 3.31Å; T305-I308 PolarHBondContact O-N 3.08Å; I306-I308 PolarHBondContact O-N 3.24Å; I308-L311 PolarHBondContact O-N 3.27Å; I308-Y312 VanDerWaalsContact O-CB 3.27Å; I308-Y312 WeakPolarHBondContact O-CB 3.44Å; I308-Y312 PolarHBondContact O-N 2.95Å
309	I	89.5	Confident	90.3	Very high	45 Å²	45	94.5 Å²	94.5	23%	0.231	45%	0.447	C	S	.	.	H	α-helix	trans	-63.3	-43.7	176.7	-69	167.5	0	0	0	111.1	T305 I306 I307 Y312 H313 L647	T305-I309 HydrophobicContact CG2-CD1 3.77Å; T305-I309 HydrophobicContact CG2-CG1 4.4Å; T305-I309 WeakPolarHBondContact O-CG1 3.34Å; T305-I309 PolarHBondContact O-N 2.97Å; I306-I309 PolarHBondContact O-N 2.96Å; I307-I309 VanDerWaalsContact C-N 3.33Å; I307-I309 PolarHBondContact O-N 3.09Å; I309-Y312 PolarHBondContact O-N 3.28Å; I309-H313 WeakPolarHBondContact O-CB 3.44Å; I309-H313 PolarHBondContact O-N 3.38Å; I309-L647 HydrophobicContact CD1-CD2 4.43Å
310	L	91.7	Very high	89.5	Confident	110 Å²	110	96.2 Å²	96.2	58%	0.576	45%	0.448	S	S	*	.	H	α-helix	trans	-66.5	-42.7	178.2	-70.5	172.3	0	0	0	111.9	I306 I307 H313 R314	I306-L310 HydrophobicContact CG2-CD1 3.89Å; I306-L310 HydrophobicContact CG2-CG 4.32Å; I306-L310 WeakPolarHBondContact O-CB 3.37Å; I306-L310 VanDerWaalsContact O-CG 3.28Å; I306-L310 WeakPolarHBondContact O-CG 3.49Å; I306-L310 PolarHBondContact O-N 3.3Å; I307-L310 PolarHBondContact O-N 3.25Å; L310-H313 PolarHBondContact O-N 2.88Å; L310-R314 WeakPolarHBondContact O-CB 3.38Å; L310-R314 PolarHBondContact O-N 2.93Å
311	L	91.2	Very high	88.8	Confident	106 Å²	106	98.7 Å²	98.7	56%	0.555	45%	0.454	S	S	*	.	H	α-helix	trans	-63.2	-43.7	174.6	-71.2	174.6	0	0	0	111.5	I307 I308 R314 A315	I307-L311 HydrophobicContact CG2-CD1 3.85Å; I307-L311 HydrophobicContact CG2-CG 4.27Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.28Å; I307-L311 WeakPolarHBondContact O-CG 3.37Å; I307-L311 PolarHBondContact O-N 3.25Å; I308-L311 PolarHBondContact O-N 3.27Å; L311-R314 PolarHBondContact O-N 3.49Å; L311-A315 WeakPolarHBondContact O-CB 3.33Å; L311-A315 PolarHBondContact O-N 2.89Å
312	Y	87	Confident	88.1	Confident	129 Å²	129	101.6 Å²	101.6	51%	0.506	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-48.1	174.8	-174.7	-84.8	0	0	0	111.3	I308 I309 R314 A315 E316	I308-Y312 VanDerWaalsContact O-CB 3.27Å; I308-Y312 WeakPolarHBondContact O-CB 3.44Å; I308-Y312 PolarHBondContact O-N 2.95Å; I309-Y312 PolarHBondContact O-N 3.28Å; Y312-R314 VanDerWaalsContact C-N 3.31Å; Y312-R314 PolarHBondContact O-N 3.4Å; Y312-A315 PolarHBondContact O-N 2.83Å; Y312-E316 WeakPolarHBondContact O-CB 3.35Å; Y312-E316 PolarHBondContact O-N 2.85Å
313	H	86.3	Confident	87.2	Confident	86 Å²	86	102 Å²	102	40%	0.398	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-36.1	178.7	-168.6	56.5	0	0	0	112.1	I309 L310 E316 R317	I309-H313 WeakPolarHBondContact O-CB 3.44Å; I309-H313 PolarHBondContact O-N 3.38Å; L310-H313 PolarHBondContact O-N 2.88Å; H313-E316 IonicContact CE1-OE2 3.51Å; H313-E316 PolarHBondContact CE1-OE2 3.19Å; H313-E316 VanDerWaalsContact CE1-OE2 3.3Å; H313-E316 PolarHBondContact O-N 3.34Å; H313-R317 WeakPolarHBondContact O-CB 3.43Å; H313-R317 WeakPolarHBondContact O-CG 3.48Å; H313-R317 PolarHBondContact O-N 3.39Å
314	R	89.5	Confident	86.2	Confident	195 Å²	195	102.4 Å²	102.4	74%	0.736	48%	0.48	S	S	*	.	H	α-helix	trans	-65.6	-42.7	172.8	-174	175.3	-176.6	157	1.5	112	L310 L311 Y312 R318	L310-R314 WeakPolarHBondContact O-CB 3.38Å; L310-R314 PolarHBondContact O-N 2.93Å; L311-R314 PolarHBondContact O-N 3.49Å; Y312-R314 VanDerWaalsContact C-N 3.31Å; Y312-R314 PolarHBondContact O-N 3.4Å; R314-R318 WeakPolarHBondContact O-CB 3.14Å; R314-R318 PolarHBondContact O-N 3.04Å
315	A	86.9	Confident	85.4	Confident	58 Å²	58	102 Å²	102	48%	0.479	48%	0.48	S	S	.	.	H	α-helix	trans	-64.8	-41.6	175.6	0	0	0	0	0	111.7	L311 Y312 R318 K319	L311-A315 WeakPolarHBondContact O-CB 3.33Å; L311-A315 PolarHBondContact O-N 2.89Å; Y312-A315 PolarHBondContact O-N 2.83Å; A315-R318 PolarHBondContact O-N 2.8Å; A315-K319 WeakPolarHBondContact O-CB 3.24Å; A315-K319 PolarHBondContact O-N 3.35Å
316	E	83.2	Confident	84.4	Confident	56 Å²	56	108.8 Å²	108.8	26%	0.262	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-41.1	177.7	-162.6	-159.5	135.2	0	0	112.2	Y312 H313 K319 R320	Y312-E316 WeakPolarHBondContact O-CB 3.35Å; Y312-E316 PolarHBondContact O-N 2.85Å; H313-E316 IonicContact CE1-OE2 3.51Å; H313-E316 PolarHBondContact CE1-OE2 3.19Å; H313-E316 VanDerWaalsContact CE1-OE2 3.3Å; H313-E316 PolarHBondContact O-N 3.34Å; E316-K319 PolarHBondContact O-N 3.29Å; E316-R320 PolarHBondContact O-N 2.85Å; E316-R320 IonicContact OE1-CZ 3.53Å; E316-R320 IonicContact OE1-NE 2.77Å; E316-R320 IonicContact OE1-NH2 3.39Å; E316-R320 PolarHBondContact OE1-NH2 3.28Å
317	R	84.4	Confident	83.3	Confident	162 Å²	162	108.9 Å²	108.9	61%	0.611	51%	0.506	S	S	*	.	H	α-helix	trans	-60.8	-45.2	170	-76.8	-175.4	-173.7	-158.7	1.1	111.5	H313 K319 R320 F321	H313-R317 WeakPolarHBondContact O-CB 3.43Å; H313-R317 WeakPolarHBondContact O-CG 3.48Å; H313-R317 PolarHBondContact O-N 3.39Å; R317-K319 VanDerWaalsContact C-N 3.32Å; R317-K319 PolarHBondContact O-N 2.94Å; R317-R320 PolarHBondContact O-N 3.39Å; R317-F321 WeakPolarHBondContact O-CB 3.44Å; R317-F321 PolarHBondContact O-N 3.32Å
318	R	85.8	Confident	82.5	Confident	186 Å²	186	109.8 Å²	109.8	70%	0.702	51%	0.512	S	S	*	.	H	α-helix	trans	-62.3	-40.1	177.6	-169.2	178.4	-170.5	176.4	3.9	111.4	R314 A315 F321 L322	R314-R318 WeakPolarHBondContact O-CB 3.14Å; R314-R318 PolarHBondContact O-N 3.04Å; A315-R318 PolarHBondContact O-N 2.8Å; R318-F321 PolarHBondContact O-N 2.71Å; R318-L322 HydrophobicContact CG-CD1 4.37Å; R318-L322 WeakPolarHBondContact O-CG 3.47Å; R318-L322 PolarHBondContact O-N 3.37Å
319	K	81.1	Confident	81.6	Confident	129 Å²	129	107.5 Å²	107.5	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-63.6	-50.3	175.4	-163.8	-161.4	168.8	-156.1	0	111.1	A315 E316 R317 F321 L322 D323	A315-K319 WeakPolarHBondContact O-CB 3.24Å; A315-K319 PolarHBondContact O-N 3.35Å; E316-K319 PolarHBondContact O-N 3.29Å; R317-K319 VanDerWaalsContact C-N 3.32Å; R317-K319 PolarHBondContact O-N 2.94Å; K319-F321 VanDerWaalsContact C-N 3.27Å; K319-F321 PolarHBondContact O-N 3.29Å; K319-L322 CarbonylContact O-C 3.57Å; K319-L322 WeakPolarHBondContact O-CA 3.43Å; K319-L322 WeakPolarHBondContact O-CB 3.29Å; K319-L322 PolarHBondContact O-N 3.17Å; K319-D323 WeakPolarHBondContact CE-OD2 3.32Å; K319-D323 IonicContact NZ-OD2 3.4Å; K319-D323 VanDerWaalsContact O-CG 3.24Å; K319-D323 PolarHBondContact O-N 2.91Å
320	R	78.5	Confident	80.7	Confident	126 Å²	126	108.6 Å²	108.6	48%	0.475	52%	0.515	S	S	.	.	H	α-helix	trans	-58.1	-37.4	176.1	-80.5	-171.4	-88.5	175.5	-12.8	113.2	E316 R317 V324	E316-R320 PolarHBondContact O-N 2.85Å; E316-R320 IonicContact OE1-CZ 3.53Å; E316-R320 IonicContact OE1-NE 2.77Å; E316-R320 IonicContact OE1-NH2 3.39Å; E316-R320 PolarHBondContact OE1-NH2 3.28Å; R317-R320 PolarHBondContact O-N 3.39Å; R320-V324 WeakPolarHBondContact O-CB 3.29Å; R320-V324 WeakPolarHBondContact O-CG2 3.29Å; R320-V324 PolarHBondContact O-N 3.45Å
321	F	80.2	Confident	79.6	Confident	153 Å²	153	107 Å²	107	67%	0.671	51%	0.51	S	S	*	.	H	α-helix	trans	-65.8	-39.7	174	-173.6	-89.9	0	0	0	112.4	R317 R318 K319 S325	R317-F321 WeakPolarHBondContact O-CB 3.44Å; R317-F321 PolarHBondContact O-N 3.32Å; R318-F321 PolarHBondContact O-N 2.71Å; K319-F321 VanDerWaalsContact C-N 3.27Å; K319-F321 PolarHBondContact O-N 3.29Å; F321-S325 WeakPolarHBondContact O-CB 3.37Å; F321-S325 PolarHBondContact O-N 2.82Å
322	L	81	Confident	78.2	Confident	101 Å²	101	109.1 Å²	109.1	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-68.7	-41.2	174.8	-71.8	168.8	0	0	0	112.2	R318 K319 S325 Y326	R318-L322 HydrophobicContact CG-CD1 4.37Å; R318-L322 WeakPolarHBondContact O-CG 3.47Å; R318-L322 PolarHBondContact O-N 3.37Å; K319-L322 CarbonylContact O-C 3.57Å; K319-L322 WeakPolarHBondContact O-CA 3.43Å; K319-L322 WeakPolarHBondContact O-CB 3.29Å; K319-L322 PolarHBondContact O-N 3.17Å; L322-S325 PolarHBondContact O-N 3.42Å; L322-Y326 VanDerWaalsContact O-CB 3.31Å; L322-Y326 WeakPolarHBondContact O-CB 3.23Å; L322-Y326 PolarHBondContact O-N 3.31Å
323	D	75.2	Confident	77.3	Confident	68 Å²	68	107.8 Å²	107.8	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-48.9	177.1	-63.2	-23.5	0	0	0	109.6	K319 S325 Y326 D327	K319-D323 WeakPolarHBondContact CE-OD2 3.32Å; K319-D323 IonicContact NZ-OD2 3.4Å; K319-D323 VanDerWaalsContact O-CG 3.24Å; K319-D323 PolarHBondContact O-N 2.91Å; D323-S325 PolarHBondContact O-N 3.36Å; D323-Y326 WeakPolarHBondContact O-CB 3.47Å; D323-Y326 PolarHBondContact O-N 2.98Å; D323-D327 PolarHBondContact O-N 3.26Å
324	V	76.3	Confident	76.2	Confident	82 Å²	82	111.4 Å²	111.4	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-38.9	174.6	171	0	0	0	0	112.6	R320 Y326 D327 N328	R320-V324 WeakPolarHBondContact O-CB 3.29Å; R320-V324 WeakPolarHBondContact O-CG2 3.29Å; R320-V324 PolarHBondContact O-N 3.45Å; V324-Y326 VanDerWaalsContact C-N 3.33Å; V324-D327 PolarHBondContact O-N 2.96Å; V324-N328 VanDerWaalsContact O-CB 3.3Å; V324-N328 WeakPolarHBondContact O-CB 3.46Å; V324-N328 PolarHBondContact O-N 3.38Å; V324-N328 PolarHBondContact O-ND2 2.77Å
325	S	75.9	Confident	75.2	Confident	60 Å²	60	105.3 Å²	105.3	42%	0.42	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-35.9	176.1	-172.4	0	0	0	0	112	F321 L322 D323 A329	F321-S325 WeakPolarHBondContact O-CB 3.37Å; F321-S325 PolarHBondContact O-N 2.82Å; L322-S325 PolarHBondContact O-N 3.42Å; D323-S325 PolarHBondContact O-N 3.36Å; S325-A329 VanDerWaalsContact O-CB 3.25Å; S325-A329 WeakPolarHBondContact O-CB 3.28Å; S325-A329 PolarHBondContact O-N 2.97Å
326	Y	72.8	Confident	74.2	Confident	161 Å²	161	107.3 Å²	107.3	63%	0.631	51%	0.51	S	S	*	.	H	α-helix	trans	-67.8	-47.9	174.4	-178.5	-95.9	0	0	0	111.3	L322 D323 V324 N328 A329 V330	L322-Y326 VanDerWaalsContact O-CB 3.31Å; L322-Y326 WeakPolarHBondContact O-CB 3.23Å; L322-Y326 PolarHBondContact O-N 3.31Å; D323-Y326 WeakPolarHBondContact O-CB 3.47Å; D323-Y326 PolarHBondContact O-N 2.98Å; V324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-N328 VanDerWaalsContact C-N 3.34Å; Y326-N328 PolarHBondContact O-N 3.33Å; Y326-A329 PolarHBondContact O-N 2.88Å; Y326-A329 VanDerWaalsContact O-N 3.13Å; Y326-V330 HydrophobicContact CD1-CG2 4.07Å; Y326-V330 HydrophobicContact CE1-CG2 3.69Å; Y326-V330 HydrophobicContact CE2-CG2 4.31Å; Y326-V330 WeakPolarHBondContact O-CG2 3.3Å; Y326-V330 PolarHBondContact O-N 3.01Å
327	D	70.3	Confident	72.7	Confident	97 Å²	97	110.7 Å²	110.7	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-59.1	-45.2	176.1	-71	-23.3	0	0	0	111.1	D323 V324 A329 V330 V331	D323-D327 PolarHBondContact O-N 3.26Å; V324-D327 PolarHBondContact O-N 2.96Å; D327-A329 PolarHBondContact O-N 3.12Å; D327-V330 PolarHBondContact O-N 2.97Å; D327-V331 VanDerWaalsContact O-CG2 3.32Å; D327-V331 WeakPolarHBondContact O-CG2 3.49Å; D327-V331 PolarHBondContact O-N 3.46Å
328	N	76.1	Confident	71.6	Confident	104 Å²	104	106.5 Å²	106.5	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-61.8	-39.9	174.4	-73.9	-14.6	0	0	0	112.5	V324 Y326 V331 Y332	V324-N328 VanDerWaalsContact O-CB 3.3Å; V324-N328 WeakPolarHBondContact O-CB 3.46Å; V324-N328 PolarHBondContact O-N 3.38Å; V324-N328 PolarHBondContact O-ND2 2.77Å; Y326-N328 VanDerWaalsContact C-N 3.34Å; Y326-N328 PolarHBondContact O-N 3.33Å; N328-V331 PolarHBondContact O-N 2.99Å; N328-Y332 VanDerWaalsContact O-CB 3.25Å; N328-Y332 WeakPolarHBondContact O-CB 3.4Å; N328-Y332 PolarHBondContact O-N 2.74Å
329	A	71.9	Confident	70.5	Confident	44 Å²	44	100.4 Å²	100.4	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-69.5	-36.5	177.1	0	0	0	0	0	112.5	S325 Y326 D327 N333	S325-A329 VanDerWaalsContact O-CB 3.25Å; S325-A329 WeakPolarHBondContact O-CB 3.28Å; S325-A329 PolarHBondContact O-N 2.97Å; Y326-A329 PolarHBondContact O-N 2.88Å; Y326-A329 VanDerWaalsContact O-N 3.13Å; D327-A329 PolarHBondContact O-N 3.12Å; A329-N333 WeakPolarHBondContact O-CB 3.41Å; A329-N333 PolarHBondContact O-N 2.91Å; A329-N333 PolarHBondContact O-ND2 2.75Å
330	V	70.5	Confident	69.7	Low	68 Å²	68	99 Å²	99	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-46.3	173.4	169.7	0	0	0	0	110.3	Y326 D327 K334	Y326-V330 HydrophobicContact CD1-CG2 4.07Å; Y326-V330 HydrophobicContact CE1-CG2 3.69Å; Y326-V330 HydrophobicContact CE2-CG2 4.31Å; Y326-V330 WeakPolarHBondContact O-CG2 3.3Å; Y326-V330 PolarHBondContact O-N 3.01Å; D327-V330 PolarHBondContact O-N 2.97Å; V330-K334 WeakPolarHBondContact O-CB 3.4Å; V330-K334 PolarHBondContact O-N 3.18Å
331	V	67	Low	69	Low	75 Å²	75	97.6 Å²	97.6	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-59.4	-50.1	174.1	171.3	0	0	0	0	110.6	D327 N328 N333 K334 T335	D327-V331 VanDerWaalsContact O-CG2 3.32Å; D327-V331 WeakPolarHBondContact O-CG2 3.49Å; D327-V331 PolarHBondContact O-N 3.46Å; N328-V331 PolarHBondContact O-N 2.99Å; V331-N333 PolarHBondContact O-N 3.42Å; V331-K334 WeakPolarHBondContact O-CB 3.28Å; V331-K334 PolarHBondContact O-N 3.43Å; V331-K334 VanDerWaalsContact O-N 3.08Å; V331-T335 PolarHBondContact O-N 2.55Å; V331-T335 PolarHBondContact O-OG1 2.74Å; V331-T335 VanDerWaalsContact O-OG1 3.07Å
332	Y	62.2	Low	68.1	Low	152 Å²	152	97.5 Å²	97.5	60%	0.596	50%	0.502	S	S	*	.	H	α-helix	trans	-59.3	-45.3	-179.6	-175.7	-98.6	0	0	0	112.6	N328 K334 T335 K336	N328-Y332 VanDerWaalsContact O-CB 3.25Å; N328-Y332 WeakPolarHBondContact O-CB 3.4Å; N328-Y332 PolarHBondContact O-N 2.74Å; Y332-K334 VanDerWaalsContact C-N 3.32Å; Y332-K334 PolarHBondContact O-N 2.82Å; Y332-T335 WeakPolarHBondContact CA-OG1 3.37Å; Y332-T335 PolarHBondContact O-N 3.3Å; Y332-T335 PolarHBondContact O-OG1 3.22Å; Y332-K336 HydrophobicContact CE1-CD 4.43Å; Y332-K336 WeakPolarHBondContact O-CB 3.47Å; Y332-K336 PolarHBondContact O-N 3.06Å
333	N	69.2	Low	67.4	Low	100 Å²	100	99.8 Å²	99.8	54%	0.535	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-36.8	175.5	-79.4	-24.1	0	0	0	111.9	A329 V331 K336 M337	A329-N333 WeakPolarHBondContact O-CB 3.41Å; A329-N333 PolarHBondContact O-N 2.91Å; A329-N333 PolarHBondContact O-ND2 2.75Å; V331-N333 PolarHBondContact O-N 3.42Å; N333-K336 PolarHBondContact O-N 3.02Å; N333-M337 VanDerWaalsContact O-CB 3.26Å; N333-M337 WeakPolarHBondContact O-CB 3.28Å; N333-M337 PolarHBondContact O-N 3.48Å
334	K	62.9	Low	66.6	Low	163 Å²	163	103.5 Å²	103.5	71%	0.709	52%	0.521	S	S	*	.	H	α-helix	trans	-64.5	-42	176	-149.5	172.9	-171.9	179.4	0	111.6	V330 V331 Y332 S338	V330-K334 WeakPolarHBondContact O-CB 3.4Å; V330-K334 PolarHBondContact O-N 3.18Å; V331-K334 WeakPolarHBondContact O-CB 3.28Å; V331-K334 PolarHBondContact O-N 3.43Å; V331-K334 VanDerWaalsContact O-N 3.08Å; Y332-K334 VanDerWaalsContact C-N 3.32Å; Y332-K334 PolarHBondContact O-N 2.82Å; K334-S338 PolarHBondContact O-N 2.85Å; K334-S338 VanDerWaalsContact O-N 3.12Å
335	T	68	Low	65.7	Low	66 Å²	66	105.6 Å²	105.6	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-70	-36.5	172.3	39	0	0	0	0	113.5	V331 Y332 S338 S339	V331-T335 PolarHBondContact O-N 2.55Å; V331-T335 PolarHBondContact O-OG1 2.74Å; V331-T335 VanDerWaalsContact O-OG1 3.07Å; Y332-T335 WeakPolarHBondContact CA-OG1 3.37Å; Y332-T335 PolarHBondContact O-N 3.3Å; Y332-T335 PolarHBondContact O-OG1 3.22Å; T335-S338 PolarHBondContact O-N 2.82Å; T335-S338 PolarHBondContact O-OG 2.85Å; T335-S339 WeakPolarHBondContact O-CB 3.48Å; T335-S339 PolarHBondContact O-N 3.34Å
336	K	65.4	Low	64.9	Low	100 Å²	100	108.6 Å²	108.6	44%	0.435	53%	0.532	S	S	.	.	H	α-helix	trans	-68.2	-43	177.6	-168.2	-176.2	-178	-143.7	0	111	Y332 N333 S338 S339 E340	Y332-K336 HydrophobicContact CE1-CD 4.43Å; Y332-K336 WeakPolarHBondContact O-CB 3.47Å; Y332-K336 PolarHBondContact O-N 3.06Å; N333-K336 PolarHBondContact O-N 3.02Å; K336-S338 VanDerWaalsContact C-N 3.33Å; K336-S338 PolarHBondContact O-N 3.26Å; K336-S339 PolarHBondContact O-N 3.26Å; K336-E340 WeakPolarHBondContact CE-OE1 3.5Å; K336-E340 IonicContact NZ-OE1 2.73Å; K336-E340 PolarHBondContact NZ-OE1 3.31Å; K336-E340 VanDerWaalsContact NZ-OE1 3.1Å; K336-E340 PolarHBondContact O-N 3.41Å
337	M	52.5	Low	64	Low	127 Å²	127	104.2 Å²	104.2	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-35.9	176.3	-163.1	178.9	-168.8	0	0	111.7	N333 N341	N333-M337 VanDerWaalsContact O-CB 3.26Å; N333-M337 WeakPolarHBondContact O-CB 3.28Å; N333-M337 PolarHBondContact O-N 3.48Å; M337-N341 VanDerWaalsContact O-CB 3.25Å; M337-N341 WeakPolarHBondContact O-CB 3.16Å; M337-N341 VanDerWaalsContact O-CG 3.22Å; M337-N341 PolarHBondContact O-N 3.25Å; M337-N341 PolarHBondContact O-ND2 2.84Å
338	S	61.5	Low	63.3	Low	74 Å²	74	105.1 Å²	105.1	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-67.8	-39.5	171.8	80.6	0	0	0	0	112.3	K334 T335 K336 Y342	K334-S338 PolarHBondContact O-N 2.85Å; K334-S338 VanDerWaalsContact O-N 3.12Å; T335-S338 PolarHBondContact O-N 2.82Å; T335-S338 PolarHBondContact O-OG 2.85Å; K336-S338 VanDerWaalsContact C-N 3.33Å; K336-S338 PolarHBondContact O-N 3.26Å; S338-Y342 VanDerWaalsContact O-CB 3.32Å; S338-Y342 WeakPolarHBondContact O-CB 3.32Å; S338-Y342 PolarHBondContact O-N 3.05Å
339	S	62.7	Low	62.2	Low	58 Å²	58	108.1 Å²	108.1	41%	0.406	54%	0.537	S	S	.	.	H	α-helix	trans	-68	-40.8	176.7	-174.9	0	0	0	0	113.4	T335 K336 Y342 K343	T335-S339 WeakPolarHBondContact O-CB 3.48Å; T335-S339 PolarHBondContact O-N 3.34Å; K336-S339 PolarHBondContact O-N 3.26Å; S339-Y342 PolarHBondContact O-N 2.91Å; S339-K343 PolarHBondContact O-N 3.42Å
340	E	63.6	Low	60.8	Low	101 Å²	101	112.5 Å²	112.5	47%	0.472	55%	0.554	S	S	.	*	H	α-helix	trans	-67.4	-43	174.3	-76.1	179.6	-174.7	0	0	111.2	K336 Y342 K343 K344	K336-E340 WeakPolarHBondContact CE-OE1 3.5Å; K336-E340 IonicContact NZ-OE1 2.73Å; K336-E340 PolarHBondContact NZ-OE1 3.31Å; K336-E340 VanDerWaalsContact NZ-OE1 3.1Å; K336-E340 PolarHBondContact O-N 3.41Å; E340-Y342 VanDerWaalsContact C-N 3.31Å; E340-Y342 PolarHBondContact O-N 3.07Å; E340-K343 PolarHBondContact O-N 3.37Å; E340-K344 WeakPolarHBondContact O-CB 3.25Å; E340-K344 PolarHBondContact O-N 2.95Å
341	N	64	Low	59.5	Low	95 Å²	95	117.2 Å²	117.2	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-59.3	-41.8	171.1	-77.5	-26.8	0	0	0	111.4	M337 K344 M345	M337-N341 VanDerWaalsContact O-CB 3.25Å; M337-N341 WeakPolarHBondContact O-CB 3.16Å; M337-N341 VanDerWaalsContact O-CG 3.22Å; M337-N341 PolarHBondContact O-N 3.25Å; M337-N341 PolarHBondContact O-ND2 2.84Å; N341-K344 PolarHBondContact O-N 2.97Å; N341-M345 WeakPolarHBondContact O-CB 3.27Å; N341-M345 PolarHBondContact O-N 2.97Å
342	Y	61.7	Low	58.3	Low	152 Å²	152	116.3 Å²	116.3	60%	0.596	58%	0.58	S	S	*	*	H	α-helix	trans	-63.6	-43.7	175.9	-173.4	-92.6	0	0	0	112.4	S338 S339 E340 K344 M345 K346	S338-Y342 VanDerWaalsContact O-CB 3.32Å; S338-Y342 WeakPolarHBondContact O-CB 3.32Å; S338-Y342 PolarHBondContact O-N 3.05Å; S339-Y342 PolarHBondContact O-N 2.91Å; E340-Y342 VanDerWaalsContact C-N 3.31Å; E340-Y342 PolarHBondContact O-N 3.07Å; Y342-K344 PolarHBondContact O-N 3.46Å; Y342-M345 WeakPolarHBondContact O-CB 3.35Å; Y342-M345 PolarHBondContact O-N 3.27Å; Y342-K346 HydrophobicContact CE1-CD 4.19Å; Y342-K346 WeakPolarHBondContact O-CB 3.17Å; Y342-K346 PolarHBondContact O-N 2.95Å
343	K	65.7	Low	57	Low	149 Å²	149	118.6 Å²	118.6	65%	0.648	59%	0.593	S	S	*	*	H	α-helix	trans	-62.2	-40.9	173.4	-77.4	-177.5	178.6	179.7	0	112	S339 E340 K346 S347	S339-K343 PolarHBondContact O-N 3.42Å; E340-K343 PolarHBondContact O-N 3.37Å; K343-K346 PolarHBondContact O-N 3.23Å; K343-S347 PolarHBondContact O-N 2.82Å
344	K	58.5	Low	55.2	Low	145 Å²	145	119.2 Å²	119.2	63%	0.63	61%	0.605	S	S	*	*	H	α-helix	trans	-64.9	-43	176.4	-156.6	171.8	-173.3	177.8	0	111.1	E340 N341 Y342 K346 S347 I348	E340-K344 WeakPolarHBondContact O-CB 3.25Å; E340-K344 PolarHBondContact O-N 2.95Å; N341-K344 PolarHBondContact O-N 2.97Å; Y342-K344 PolarHBondContact O-N 3.46Å; K344-K346 VanDerWaalsContact C-N 3.3Å; K344-K346 PolarHBondContact O-N 3.43Å; K344-S347 PolarHBondContact O-N 3.45Å; K344-I348 HydrophobicContact CG-CD1 4.38Å; K344-I348 VanDerWaalsContact O-CG1 3.28Å; K344-I348 WeakPolarHBondContact O-CG1 3.44Å; K344-I348 PolarHBondContact O-N 3.47Å
345	M	57.1	Low	53.8	Low	127 Å²	127	116.9 Å²	116.9	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-58.8	-39.8	172.2	-150.3	82.6	157.8	0	0	112	N341 Y342 K349	N341-M345 WeakPolarHBondContact O-CB 3.27Å; N341-M345 PolarHBondContact O-N 2.97Å; Y342-M345 WeakPolarHBondContact O-CB 3.35Å; Y342-M345 PolarHBondContact O-N 3.27Å; M345-K349 WeakPolarHBondContact O-CB 3.39Å; M345-K349 WeakPolarHBondContact O-CG 3.47Å; M345-K349 PolarHBondContact O-N 2.66Å
346	K	58.7	Low	51.8	Low	123 Å²	123	121.7 Å²	121.7	54%	0.535	63%	0.629	S	S	.	*	H	α-helix	trans	-73.7	-35.1	179.5	-151.4	170.2	-173.3	176.2	0	112.5	Y342 K343 K344 K349 N350	Y342-K346 HydrophobicContact CE1-CD 4.19Å; Y342-K346 WeakPolarHBondContact O-CB 3.17Å; Y342-K346 PolarHBondContact O-N 2.95Å; K343-K346 PolarHBondContact O-N 3.23Å; K344-K346 VanDerWaalsContact C-N 3.3Å; K344-K346 PolarHBondContact O-N 3.43Å; K346-K349 PolarHBondContact O-N 3.23Å; K346-N350 PolarHBondContact O-N 3.04Å; K346-N350 VanDerWaalsContact O-N 3.11Å
347	S	54.2	Low	49.9	Very low	68 Å²	68	123.6 Å²	123.6	48%	0.476	65%	0.649	S	S	.	*	H	α-helix	trans	-63.8	-49	170.2	-178.5	0	0	0	0	111.6	K343 K344 K349 N350 M351	K343-S347 PolarHBondContact O-N 2.82Å; K344-S347 PolarHBondContact O-N 3.45Å; S347-K349 VanDerWaalsContact C-N 3.3Å; S347-K349 PolarHBondContact O-N 3.27Å; S347-N350 PolarHBondContact O-N 2.88Å; S347-M351 PolarHBondContact O-N 3.46Å; S347-M351 VanDerWaalsContact O-N 3.07Å
348	I	56.3	Low	48.5	Very low	116 Å²	116	122.7 Å²	122.7	60%	0.595	66%	0.655	S	S	*	*	H	α-helix	trans	-59.1	-40.6	176.2	-67.6	164.2	0	0	0	111.1	K344 N350 M351	K344-I348 HydrophobicContact CG-CD1 4.38Å; K344-I348 VanDerWaalsContact O-CG1 3.28Å; K344-I348 WeakPolarHBondContact O-CG1 3.44Å; K344-I348 PolarHBondContact O-N 3.47Å; I348-N350 VanDerWaalsContact C-N 3.31Å; I348-N350 PolarHBondContact O-N 3.33Å; I348-M351 PolarHBondContact O-N 2.9Å
349	K	51.9	Low	46.7	Very low	167 Å²	167	124.2 Å²	124.2	73%	0.726	67%	0.666	S	S	*	*	H	α-helix	trans	-65.1	-28.9	173.8	-81.3	-172.2	171.7	-172.2	0	114.1	M345 K346 S347	M345-K349 WeakPolarHBondContact O-CB 3.39Å; M345-K349 WeakPolarHBondContact O-CG 3.47Å; M345-K349 PolarHBondContact O-N 2.66Å; K346-K349 PolarHBondContact O-N 3.23Å; S347-K349 VanDerWaalsContact C-N 3.3Å; S347-K349 PolarHBondContact O-N 3.27Å
350	N	43.7	Very low	44.9	Very low	136 Å²	136	126.1 Å²	126.1	73%	0.727	68%	0.679	S	S	*	*	H	α-helix	trans	-84	-19.8	177.8	-78.1	8.4	0	0	0	113.7	K346 S347 I348 G352	K346-N350 PolarHBondContact O-N 3.04Å; K346-N350 VanDerWaalsContact O-N 3.11Å; S347-N350 PolarHBondContact O-N 2.88Å; I348-N350 VanDerWaalsContact C-N 3.31Å; I348-N350 PolarHBondContact O-N 3.33Å; N350-G352 PolarHBondContact O-N 2.92Å
351	M	43.4	Very low	43	Very low	167 Å²	167	128.3 Å²	128.3	82%	0.823	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	10.5	170.4	-87.2	178.7	133.1	0	0	113.7	S347 I348	S347-M351 PolarHBondContact O-N 3.46Å; S347-M351 VanDerWaalsContact O-N 3.07Å; I348-M351 PolarHBondContact O-N 2.9Å
352	G	40.3	Very low	41.1	Very low	57 Å²	57	129.4 Å²	129.4	59%	0.588	70%	0.704	S	S	*	*			trans	-94.2	32.5	179.3	0	0	0	0	0	116	N350	N350-G352 PolarHBondContact O-N 2.92Å
353	K	36.2	Very low	39.3	Very low	200 Å²	200	128 Å²	128	87%	0.87	71%	0.711	S	S	*	*			trans	-120.6	73.9	161.9	-79.3	-167.6	177	-175.1	0	109.3
354	S	30.5	Very low	37.3	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	72%	0.722	S	S	*	*			trans	-77.2	139.8	171.4	45.7	0	0	0	0	110.8
355	P	32.8	Very low	35.5	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	73%	0.73	S	S	*	*				-122.1	153.8	128.8	31.4	-23.4	0	0	0	111.7
356	L	26.5	Very low	34	Very low	166 Å²	166	129.2 Å²	129.2	87%	0.869	74%	0.738	S	S	*	*			trans	-35.4	139.4	175.9	-53.2	93.4	0	0	0	115.1
357	T	26.4	Very low	32.3	Very low	140 Å²	140	127.7 Å²	127.7	86%	0.859	74%	0.743	S	S	*	*				-167.2	155.4	107.5	33.1	0	0	0	0	112.1
358	S	23.1	Very low	30.8	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	76%	0.756	S	S	*	*			trans	-58.4	143	172.9	49.9	0	0	0	0	115.4
359	S	24.1	Very low	29.3	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	76%	0.762	S	S	*	*				173.9	133.1	112.6	57.2	0	0	0	0	114.1
360	S	23.7	Very low	28	Very low	98 Å²	98	129.2 Å²	129.2	69%	0.685	76%	0.763	S	S	*	*			trans	23.1	118.6	136	-37.7	0	0	0	0	120.5
361	N	24.8	Very low	27.1	Very low	147 Å²	147	130.4 Å²	130.4	79%	0.786	77%	0.769	S	S	*	*				161.6	129.6	103.3	-85.9	-31.2	0	0	0	116.2
362	V	22.8	Very low	26.2	Very low	119 Å²	119	129.3 Å²	129.3	72%	0.721	77%	0.765	S	S	*	*				54.5	109	127.3	-173.9	0	0	0	0	120.9
363	V	23.6	Very low	25.7	Very low	122 Å²	122	134.9 Å²	134.9	74%	0.739	78%	0.78	S	S	*	*				37	121.5	127.3	-172.1	0	0	0	0	119.3
364	K	23.7	Very low	25.1	Very low	202 Å²	202	135.7 Å²	135.7	88%	0.878	78%	0.778	S	S	*	*				-163.9	138.3	117	-108.8	169.3	-171.9	178	0	115.1
365	T	21.7	Very low	25.1	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	78%	0.778	S	S	*	*			trans	-78.3	142.5	161.4	47.3	0	0	0	0	110.8
366	S	24.8	Very low	24.8	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	78%	0.782	S	S	*	*			trans	-158.7	134.7	147.7	55.2	0	0	0	0	111.7
367	S	23	Very low	24.6	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	78%	0.779	S	S	*	*			trans	-56.4	153.9	158.3	47.7	0	0	0	0	111.4
368	D	23.6	Very low	24.5	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	78%	0.777	S	S	*	*				173.2	153.8	90.1	-100.3	-56.1	0	0	0	115.1
369	S	24.7	Very low	24.6	Very low	104 Å²	104	135 Å²	135	73%	0.727	78%	0.78	S	S	*	*			trans	61.1	121	152.4	68.8	0	0	0	0	122.4
370	L	24.1	Very low	24.5	Very low	140 Å²	140	137.3 Å²	137.3	73%	0.733	78%	0.782	S	S	*	*			trans	10	137.3	133.9	-91.6	69.2	0	0	0	119.1
371	N	25.2	Very low	24.5	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	79%	0.79	S	S	*	*				-157.4	141.1	104.7	-105.6	-40.2	0	0	0	115.3
372	I	23.9	Very low	24.4	Very low	144 Å²	144	142.3 Å²	142.3	74%	0.738	79%	0.79	S	S	*	*			trans	-90.9	115.5	178.8	-66.7	163.7	0	0	0	108.7	R374	I372-R374 PolarHBondContact O-N 3.23Å; I372-R374 VanDerWaalsContact O-N 3.16Å
373	L	31	Very low	24.5	Very low	175 Å²	175	145.3 Å²	145.3	92%	0.916	80%	0.796	S	S	*	*			trans	-80.3	94.5	172.5	-96.2	149.8	0	0	0	111
374	R	23.1	Very low	24.5	Very low	217 Å²	217	147.2 Å²	147.2	82%	0.819	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.1	152.5	158.4	-100.1	-177.3	174.9	171.4	-1	110.1	I372	I372-R374 PolarHBondContact O-N 3.23Å; I372-R374 VanDerWaalsContact O-N 3.16Å
375	P	30.8	Very low	24.5	Very low	120 Å²	120	144.4 Å²	144.4	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80	130.4	-178.7	32.1	-33.3	0	0	0	111.8
376	S	25.8	Very low	24.6	Very low	121 Å²	121	142.9 Å²	142.9	85%	0.846	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-90.9	149.3	166.3	48.6	0	0	0	0	111.3
377	H	23.3	Very low	24.5	Very low	170 Å²	170	145.2 Å²	145.2	79%	0.787	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.2	167.6	-174.3	-91.7	-113.3	0	0	0	113.5
378	T	24.6	Very low	24.6	Very low	136 Å²	136	146.7 Å²	146.7	83%	0.834	80%	0.798	S	S	*	*			trans	65	110.3	151.5	45	0	0	0	0	119.2
379	G	24.4	Very low	24.6	Very low	78 Å²	78	149 Å²	149	80%	0.804	81%	0.805	S	S	*	*			trans	-158.8	92.3	161.3	0	0	0	0	0	109.2
380	I	22.7	Very low	24.6	Very low	156 Å²	156	151.5 Å²	151.5	80%	0.8	81%	0.81	S	S	*	*			trans	-77.6	125	175.8	-66.6	163.5	0	0	0	108.1
381	H	23.9	Very low	24.7	Very low	183 Å²	183	154.9 Å²	154.9	85%	0.847	81%	0.814	S	S	*	*			trans	-160.5	136.1	142.2	-113.3	-77.8	0	0	0	111.2
382	H	22.4	Very low	24.7	Very low	167 Å²	167	156 Å²	156	77%	0.773	82%	0.815	S	S	*	*			trans	-67.3	129.3	168.6	-82.1	-110.6	0	0	0	110.1
383	Q	24.6	Very low	24.7	Very low	182 Å²	182	154.6 Å²	154.6	85%	0.85	82%	0.817	S	S	*	*			trans	-138.9	109.3	150	-108.9	177.6	-5.7	0	0	109.7	L385	Q383-L385 PolarHBondContact O-N 2.98Å
384	I	22.9	Very low	24.5	Very low	161 Å²	161	154.4 Å²	154.4	83%	0.826	82%	0.816	S	S	*	*			trans	-76.2	109.2	162.2	-64.9	164.9	0	0	0	105.4
385	L	23.4	Very low	24.5	Very low	144 Å²	144	148.7 Å²	148.7	75%	0.754	81%	0.809	S	S	*	*			trans	-144.2	118.5	164.6	-133.5	86.4	0	0	0	110.4	Q383	Q383-L385 PolarHBondContact O-N 2.98Å
386	S	24.5	Very low	24.2	Very low	97 Å²	97	151.3 Å²	151.3	68%	0.678	82%	0.815	S	S	*	*			trans	13.9	123.1	155.4	52.8	0	0	0	0	119.5	P388	S386-P388 WeakPolarHBondContact O-CD 3.35Å
387	L	23.1	Very low	24.1	Very low	165 Å²	165	152.3 Å²	152.3	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-55.6	130.6	159.2	-79.3	76.9	0	0	0	110.3
388	P	24.4	Very low	24.1	Very low	122 Å²	122	151.4 Å²	151.4	79%	0.792	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68.9	129.4	163.3	-16.9	31.7	0	0	0	110.2	S386	S386-P388 WeakPolarHBondContact O-CD 3.35Å
389	Q	24.3	Very low	24.2	Very low	187 Å²	187	151 Å²	151	87%	0.874	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.6	125	158.5	-64.3	171.9	-47	0	0	107.8
390	D	24.1	Very low	24.1	Very low	156 Å²	156	155.9 Å²	155.9	83%	0.834	82%	0.819	S	S	*	*			trans	-170.5	73	154.5	-100.7	-22.4	0	0	0	110.2
391	Y	26.7	Very low	24.1	Very low	212 Å²	212	156.8 Å²	156.8	83%	0.831	82%	0.82	S	S	*	*			trans	-152.4	89.1	155.4	-105	-74.5	0	0	0	108.9
392	Q	24	Very low	24.2	Very low	184 Å²	184	157.8 Å²	157.8	86%	0.86	82%	0.817	S	S	*	*			trans	-93.1	156.8	165.5	-82.3	-170.8	-20.3	0	0	111.3
393	S	24.5	Very low	24.2	Very low	113 Å²	113	155.5 Å²	155.5	79%	0.79	81%	0.811	S	S	*	*			trans	62.6	97.8	165.3	63.2	0	0	0	0	118.9
394	I	27.4	Very low	24.1	Very low	172 Å²	172	155.2 Å²	155.2	88%	0.882	81%	0.814	S	S	*	*				-119.9	139.7	116.2	-66.9	-177.5	0	0	0	106.9
395	S	23.2	Very low	24.1	Very low	97 Å²	97	155.3 Å²	155.3	68%	0.678	81%	0.811	S	S	*	*			trans	-65.3	130.4	-167.6	51.7	0	0	0	0	115
396	L	23.9	Very low	24	Very low	175 Å²	175	157.7 Å²	157.7	92%	0.916	82%	0.816	S	S	*	*			trans	-115.7	97.3	150.5	-92.7	162.5	0	0	0	107.7
397	N	23.2	Very low	23.8	Very low	141 Å²	141	163.4 Å²	163.4	75%	0.754	82%	0.822	S	S	*	*			trans	-76.9	126.2	170.5	-83.7	-3.2	0	0	0	109.6
398	N	24.5	Very low	23.8	Very low	152 Å²	152	160.5 Å²	160.5	81%	0.813	82%	0.816	S	S	*	*	S	Bend	trans	56.6	84.7	153.4	-58.5	-3.4	0	0	0	118.5
399	S	25.1	Very low	23.7	Very low	127 Å²	127	158.9 Å²	158.9	89%	0.888	80%	0.804	S	S	*	*				-174.2	92.6	117.8	55.9	0	0	0	0	110
400	M	22.5	Very low	23.6	Very low	180 Å²	180	157.4 Å²	157.4	89%	0.887	80%	0.8	S	S	*	*			trans	-103.9	146.6	164.9	-154.4	167.8	-170.5	0	0	107.6
401	E	24.2	Very low	23.7	Very low	175 Å²	175	157.5 Å²	157.5	82%	0.818	80%	0.795	S	S	*	*			trans	67	103.3	-178.6	-50.2	-173.8	146.6	0	0	113.7
402	Y	24.8	Very low	23.5	Very low	205 Å²	205	155.7 Å²	155.7	80%	0.804	79%	0.794	S	S	*	*	S	Bend		-153.4	152.4	73	-109.3	-94.2	0	0	0	113.4
403	N	23.9	Very low	23.5	Very low	118 Å²	118	153 Å²	153	63%	0.631	79%	0.791	S	S	*	*			trans	66	75.3	160.4	-60.8	-33	0	0	0	118.9	H405	N403-H405 VanDerWaalsContact C-N 3.26Å; N403-H405 PolarHBondContact O-N 2.96Å
404	L	22.5	Very low	23.4	Very low	176 Å²	176	152.8 Å²	152.8	92%	0.921	79%	0.786	S	S	*	*			trans	-60.4	94.2	131.4	-107.9	124.3	0	0	0	108.6
405	H	22.2	Very low	23	Very low	163 Å²	163	152.9 Å²	152.9	76%	0.755	79%	0.788	S	S	*	*			trans	-121.3	101.5	161.7	-109.4	-71.2	0	0	0	110.7	N403 R407	N403-H405 VanDerWaalsContact C-N 3.26Å; N403-H405 PolarHBondContact O-N 2.96Å; H405-R407 PolarHBondContact O-N 3.38Å
406	F	20.3	Very low	23.2	Very low	195 Å²	195	154 Å²	154	86%	0.855	79%	0.79	S	S	*	*			trans	-58.1	113	167.1	-144.7	-94.1	0	0	0	108.3
407	R	20.5	Very low	22.9	Very low	216 Å²	216	153 Å²	153	82%	0.815	78%	0.781	S	S	*	*			trans	-134.6	106	164.1	-149.2	175	-166.6	176.6	3.8	110.1	H405 T409	H405-R407 PolarHBondContact O-N 3.38Å; R407-T409 VanDerWaalsContact C-N 3.34Å; R407-T409 PolarHBondContact O-N 3.27Å
408	S	22.7	Very low	23.1	Very low	104 Å²	104	153.8 Å²	153.8	73%	0.727	78%	0.783	S	S	*	*			trans	-67.2	90.6	165.6	52.4	0	0	0	0	109.4
409	T	23.2	Very low	22.8	Very low	88 Å²	88	154.1 Å²	154.1	54%	0.54	78%	0.78	S	S	.	*			trans	-100.5	100.8	164.4	31.7	0	0	0	0	109	R407 H411	R407-T409 VanDerWaalsContact C-N 3.34Å; R407-T409 PolarHBondContact O-N 3.27Å; T409-H411 PolarHBondContact O-N 3.38Å
410	I	22.9	Very low	22.7	Very low	157 Å²	157	151.1 Å²	151.1	81%	0.805	77%	0.77	S	S	*	*			trans	-60.6	91.5	162.1	-62.5	163.2	0	0	0	106.4	Q412	I410-Q412 PolarHBondContact O-N 3.24Å
411	H	25.7	Very low	22.6	Very low	158 Å²	158	147.6 Å²	147.6	73%	0.731	76%	0.762	S	S	*	*			trans	-82.5	103.2	165.9	-87.1	-74.4	0	0	0	108.1	T409 T413	T409-H411 PolarHBondContact O-N 3.38Å; H411-T413 PolarHBondContact O-N 2.91Å; H411-T413 VanDerWaalsContact O-N 3.09Å
412	Q	21.7	Very low	22.6	Very low	174 Å²	174	148.4 Å²	148.4	81%	0.813	77%	0.766	S	S	*	*			trans	-50.7	112.4	164.4	-66.2	161.1	-41	0	0	108.1	I410	I410-Q412 PolarHBondContact O-N 3.24Å
413	T	24.6	Very low	22.5	Very low	128 Å²	128	141.8 Å²	141.8	79%	0.785	76%	0.76	S	S	*	*			trans	-64.7	120.7	164.2	45.6	0	0	0	0	107.1	H411	H411-T413 PolarHBondContact O-N 2.91Å; H411-T413 VanDerWaalsContact O-N 3.09Å
414	P	21.9	Very low	22.3	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	77%	0.772	S	S	*	*			trans	-65	139.2	-172.1	25.7	-33.9	0	0	0	110.7	V416	P414-V416 PolarHBondContact O-N 3.17Å; P414-V416 VanDerWaalsContact O-N 3.07Å
415	L	20.5	Very low	22.1	Very low	174 Å²	174	148 Å²	148	91%	0.911	77%	0.768	S	S	*	*			trans	-64.3	107.4	161.2	-79.6	99.8	0	0	0	107.6	E417	L415-E417 PolarHBondContact O-N 3.25Å
416	V	25.6	Very low	22.1	Very low	121 Å²	121	145.3 Å²	145.3	73%	0.733	77%	0.768	S	S	*	*			trans	-83.8	103.2	162.6	178.7	0	0	0	0	106.8	P414 I418	P414-V416 PolarHBondContact O-N 3.17Å; P414-V416 VanDerWaalsContact O-N 3.07Å; V416-I418 PolarHBondContact O-N 2.95Å
417	E	19.5	Very low	22.2	Very low	155 Å²	155	141.9 Å²	141.9	72%	0.724	77%	0.768	S	S	*	*			trans	-69.6	102.9	177.8	-170	177.1	-162.8	0	0	109.6	L415 Q419	L415-E417 PolarHBondContact O-N 3.25Å; E417-Q419 HydrophobicContact CG-CG 4.15Å; E417-Q419 PolarHBondContact O-N 2.84Å; E417-Q419 VanDerWaalsContact O-N 3.1Å
418	I	25.5	Very low	22.2	Very low	156 Å²	156	136.3 Å²	136.3	80%	0.8	76%	0.758	S	S	*	*			trans	-82.2	88	174.4	-56.9	-179.6	0	0	0	108.2	V416	V416-I418 PolarHBondContact O-N 2.95Å
419	Q	19.2	Very low	22.1	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.743	76%	0.759	S	S	*	*			trans	-72.4	120.7	170.2	-71.3	-175.8	-24	0	0	111.2	E417	E417-Q419 HydrophobicContact CG-CG 4.15Å; E417-Q419 PolarHBondContact O-N 2.84Å; E417-Q419 VanDerWaalsContact O-N 3.1Å
420	G	22.3	Very low	22.2	Very low	65 Å²	65	141.7 Å²	141.7	67%	0.67	78%	0.775	S	S	*	*			trans	64.7	166.6	156.8	0	0	0	0	0	118.1
421	S	21.2	Very low	22.1	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	78%	0.779	S	S	*	*			cis	-171.8	132.1	-17.7	47.7	0	0	0	0	110.2
422	H	23.4	Very low	22	Very low	193 Å²	193	144 Å²	144	89%	0.894	79%	0.789	S	S	*	*			trans	63	139.7	158	-69	-70	0	0	0	122.6
423	G	22.8	Very low	22	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	79%	0.788	S	S	*	*			trans	75.5	112.1	160.3	0	0	0	0	0	115.2
424	W	19.2	Very low	22	Very low	230 Å²	230	147.8 Å²	147.8	87%	0.871	79%	0.794	S	S	*	*			cis	59.7	97.7	24.2	-73.6	60.9	0	0	0	114.1
425	F	20	Very low	22	Very low	194 Å²	194	147.6 Å²	147.6	85%	0.851	79%	0.787	S	S	*	*			trans	66.8	89.2	170.4	-57.5	-73.8	0	0	0	118.5
426	S	22.1	Very low	22.2	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	78%	0.782	S	S	*	*				-160.8	125.8	121.9	-165.8	0	0	0	0	109.8
427	S	21.6	Very low	22	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	78%	0.78	S	S	*	*			trans	-109.5	108.2	164.9	54.6	0	0	0	0	107.4
428	T	20.4	Very low	22.2	Very low	98 Å²	98	147.7 Å²	147.7	60%	0.601	78%	0.782	S	S	*	*			trans	-133.5	131.7	176.3	27.6	0	0	0	0	107.9
429	D	21.2	Very low	22.2	Very low	138 Å²	138	148.1 Å²	148.1	74%	0.738	79%	0.786	S	S	*	*			trans	64.1	117.2	153.6	-41.8	-29.3	0	0	0	117.7
430	D	25.2	Very low	22.4	Very low	167 Å²	167	147 Å²	147	89%	0.893	79%	0.79	S	S	*	*				-159.9	138.9	100.1	-90	-31.5	0	0	0	110.1
431	E	20.6	Very low	22.5	Very low	190 Å²	190	148.7 Å²	148.7	89%	0.888	80%	0.797	S	S	*	*			trans	-86.3	140.7	171.4	-64.4	-178	140.6	0	0	109.6
432	D	24.5	Very low	22.6	Very low	174 Å²	174	149 Å²	149	93%	0.93	80%	0.8	S	S	*	*			trans	-145.4	114.2	156.8	-110.9	-29.2	0	0	0	109.5
433	D	19.8	Very low	22.6	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	79%	0.787	S	S	*	*			trans	-87.3	129.8	-175.3	-143.7	-5.3	0	0	0	109.5
434	Y	26.3	Very low	22.7	Very low	231 Å²	231	143.3 Å²	143.3	91%	0.906	79%	0.793	S	S	*	*			trans	-151.1	115.5	153.5	-112	-70.5	0	0	0	113.6
435	D	20.5	Very low	23	Very low	104 Å²	104	136.9 Å²	136.9	56%	0.556	78%	0.783	S	S	*	*			trans	-56.9	129	179.2	-143.6	-7.8	0	0	0	112.5	K437	D435-K437 IonicContact OD1-NZ 2.74Å; D435-K437 WeakPolarHBondContact OD2-CE 3.33Å; D435-K437 IonicContact OD2-NZ 2.67Å; D435-K437 PolarHBondContact OD2-NZ 3.39Å
436	N	25.7	Very low	23.5	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	76%	0.763	S	S	*	*			trans	-140.7	94.4	149.4	-155.7	-10	0	0	0	112.1	N438	N436-N438 PolarHBondContact O-N 3.41Å
437	K	21.4	Very low	23.6	Very low	159 Å²	159	131.7 Å²	131.7	69%	0.691	76%	0.76	S	S	*	*			trans	-65	86.8	176.2	-70.4	162.5	175.5	127.1	0	111.5	D435	D435-K437 IonicContact OD1-NZ 2.74Å; D435-K437 WeakPolarHBondContact OD2-CE 3.33Å; D435-K437 IonicContact OD2-NZ 2.67Å; D435-K437 PolarHBondContact OD2-NZ 3.39Å
438	N	23.6	Very low	23.7	Very low	143 Å²	143	129.6 Å²	129.6	77%	0.765	76%	0.758	S	S	*	*			trans	-159.6	65.6	158.5	-98.2	-32.4	0	0	0	112.4	N436	N436-N438 PolarHBondContact O-N 3.41Å
439	N	24.8	Very low	24.2	Very low	166 Å²	166	129.8 Å²	129.8	89%	0.888	77%	0.77	S	S	*	*			trans	-149.3	106.5	150.6	-98.3	-40.6	0	0	0	109.4	A441	N439-A441 PolarHBondContact O-N 2.67Å
440	V	24.1	Very low	24.3	Very low	135 Å²	135	131 Å²	131	82%	0.818	78%	0.776	S	S	*	*			trans	-58.8	125.3	171.5	171.2	0	0	0	0	108.1	S442	V440-S442 VanDerWaalsContact C-N 3.28Å; V440-S442 PolarHBondContact O-N 3.42Å
441	A	23.1	Very low	24.2	Very low	101 Å²	101	130.1 Å²	130.1	84%	0.835	77%	0.772	S	S	*	*			trans	-60.3	86.8	178.8	0	0	0	0	0	111.4	N439 G443	N439-A441 PolarHBondContact O-N 2.67Å; A441-G443 PolarHBondContact O-N 2.77Å
442	S	25.1	Very low	24.5	Very low	112 Å²	112	131 Å²	131	78%	0.783	77%	0.772	S	S	*	*			trans	-79.9	74	168	-66.1	0	0	0	0	108.2	V440	V440-S442 VanDerWaalsContact C-N 3.28Å; V440-S442 PolarHBondContact O-N 3.42Å
443	G	23.3	Very low	24.3	Very low	60 Å²	60	131.2 Å²	131.2	62%	0.619	77%	0.772	S	S	*	*			trans	-49.8	140.1	165.6	0	0	0	0	0	109.6	A441 S445	A441-G443 PolarHBondContact O-N 2.77Å; G443-S445 VanDerWaalsContact C-N 3.32Å; G443-S445 PolarHBondContact O-N 3.01Å
444	G	24.8	Very low	24.6	Very low	78 Å²	78	133.1 Å²	133.1	80%	0.804	78%	0.776	S	S	*	*			trans	-56.2	80	-162.5	0	0	0	0	0	116.1
445	S	25.2	Very low	24.4	Very low	96 Å²	96	127.4 Å²	127.4	67%	0.671	77%	0.769	S	S	*	*			trans	-95.4	99	176	-171.3	0	0	0	0	109.4	G443 N447	G443-S445 VanDerWaalsContact C-N 3.32Å; G443-S445 PolarHBondContact O-N 3.01Å; S445-N447 PolarHBondContact O-N 2.89Å
446	C	29.9	Very low	24.4	Very low	62 Å²	62	134.1 Å²	134.1	42%	0.419	79%	0.787	S	S	.	*			trans	-79.6	40.8	-169.4	-61.3	0	0	0	0	114	R791	C446-R791 VanDerWaalsContact CB-NH2 3.35Å; C446-R791 PolarHBondContact O-NH2 2.85Å
447	N	24.1	Very low	24.1	Very low	128 Å²	128	135.8 Å²	135.8	68%	0.684	79%	0.787	S	S	*	*			trans	-126	108.6	-174.7	-75	-12.8	0	0	0	111.1	S445	S445-N447 PolarHBondContact O-N 2.89Å
448	G	25.2	Very low	24.2	Very low	81 Å²	81	135.1 Å²	135.1	84%	0.835	79%	0.787	S	S	*	*			trans	167	69.7	172.7	0	0	0	0	0	117.2
449	A	28.9	Very low	24.1	Very low	102 Å²	102	135.9 Å²	135.9	84%	0.843	78%	0.783	S	S	*	*			trans	-168.7	81.3	157.6	0	0	0	0	0	111.1
450	N	23.9	Very low	23.8	Very low	162 Å²	162	134.7 Å²	134.7	87%	0.866	78%	0.777	S	S	*	*			trans	-84.3	122	175	-95.6	-23.5	0	0	0	111.7
451	N	24.2	Very low	23.6	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	78%	0.775	S	S	*	*			trans	17.5	112	148.7	-65	-21.3	0	0	0	119.1
452	K	25.4	Very low	23.5	Very low	208 Å²	208	141 Å²	141	90%	0.904	77%	0.771	S	S	*	*			trans	-161	79.5	140.4	-114.8	172.8	-173	178.1	0	112.1
453	I	21.6	Very low	23.2	Very low	178 Å²	178	140.3 Å²	140.3	91%	0.913	77%	0.765	S	S	*	*			trans	-116.7	96.9	162.6	-58.9	177.5	0	0	0	106.9
454	Q	24.9	Very low	23.3	Very low	190 Å²	190	142.8 Å²	142.8	89%	0.888	77%	0.774	S	S	*	*			trans	-127.4	117.8	169.5	-159.9	159	12	0	0	109.6	R456	Q454-R456 PolarHBondContact O-N 3.4Å
455	S	22.1	Very low	23	Very low	111 Å²	111	146.9 Å²	146.9	78%	0.776	78%	0.776	S	S	*	*			trans	-57	131.2	-179.1	132.2	0	0	0	0	111.4
456	R	21.9	Very low	23	Very low	245 Å²	245	150.3 Å²	150.3	93%	0.925	79%	0.787	S	S	*	*			trans	-145.8	120.7	148.4	-158.5	163.7	-174.7	165.3	1.7	111.7	Q454	Q454-R456 PolarHBondContact O-N 3.4Å
457	K	19.2	Very low	22.5	Very low	185 Å²	185	155.9 Å²	155.9	80%	0.804	81%	0.807	S	S	*	*			trans	-79.5	164.9	165.4	-72.1	176.7	173.2	177.2	0	110.1
458	E	22.5	Very low	22.8	Very low	145 Å²	145	154.5 Å²	154.5	68%	0.678	80%	0.804	S	S	*	*			trans	94.5	122.9	156.9	-57.5	-146	136	0	0	120.1
459	K	21.4	Very low	22.7	Very low	158 Å²	158	157.6 Å²	157.6	69%	0.687	81%	0.807	S	S	*	*			trans	71.7	108.2	137.1	-68	165.3	-172.5	151	0	119.6
460	N	18.9	Very low	22.2	Very low	142 Å²	142	159.7 Å²	159.7	76%	0.759	80%	0.804	S	S	*	*				13.2	125.1	123.6	-50.3	-2.8	0	0	0	116.6
461	Y	19.4	Very low	21.9	Very low	199 Å²	199	159.3 Å²	159.3	78%	0.78	80%	0.801	S	S	*	*				179	135.3	105.9	-110.7	-110.9	0	0	0	110.9
462	F	21.2	Very low	21.7	Very low	170 Å²	170	157.7 Å²	157.7	75%	0.746	80%	0.796	S	S	*	*			trans	68.1	120.1	145.7	-90.4	-115.8	0	0	0	124.8
463	S	20.1	Very low	21.7	Very low	96 Å²	96	154.9 Å²	154.9	67%	0.671	80%	0.797	S	S	*	*				53.3	115.8	127.5	69.2	0	0	0	0	123.5
464	S	23.9	Very low	21.5	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	79%	0.79	S	S	*	*				174	113.2	129.1	32.9	0	0	0	0	106.6
465	L	19.6	Very low	21.4	Very low	164 Å²	164	147.9 Å²	147.9	86%	0.859	78%	0.779	S	S	*	*				36.2	101.7	79.6	-123.9	82.4	0	0	0	114.4
466	N	24.5	Very low	21.4	Very low	167 Å²	167	149.5 Å²	149.5	89%	0.893	78%	0.779	S	S	*	*			trans	-164.7	121.2	139.6	-95.5	-22.6	0	0	0	111.6
467	H	19.8	Very low	21.2	Very low	180 Å²	180	147.6 Å²	147.6	83%	0.833	78%	0.777	S	S	*	*			trans	-73.7	-177.8	157.2	-87.9	-80.5	0	0	0	109.9
468	P	29.5	Very low	21.4	Very low	98 Å²	98	146.6 Å²	146.6	64%	0.636	78%	0.779	S	S	*	*			cis	-129.7	171.6	-42.4	35.4	-21	0	0	0	111.4
469	T	23.3	Very low	21.2	Very low	146 Å²	146	147.9 Å²	147.9	90%	0.896	79%	0.785	S	S	*	*			trans	-131.6	130.9	156.8	30.3	0	0	0	0	111.7
470	N	19.9	Very low	21.2	Very low	147 Å²	147	148.3 Å²	148.3	79%	0.786	79%	0.793	S	S	*	*			trans	-65.8	140.6	-158.6	-68.2	-22.2	0	0	0	115.9
471	I	17.7	Very low	21.4	Very low	154 Å²	154	146.4 Å²	146.4	79%	0.79	79%	0.789	S	S	*	*			trans	-52.1	131.4	144.7	-57.1	157.1	0	0	0	108.9
472	T	19.8	Very low	21.4	Very low	115 Å²	115	143.2 Å²	143.2	71%	0.706	79%	0.79	S	S	*	*				165	114.1	121.6	43.5	0	0	0	0	111.1
473	T	24.4	Very low	21.3	Very low	149 Å²	149	143.4 Å²	143.4	91%	0.914	79%	0.793	S	S	*	*			trans	-129.2	132.5	134.6	37.7	0	0	0	0	108.2
474	V	18.2	Very low	21.4	Very low	128 Å²	128	144.5 Å²	144.5	78%	0.776	80%	0.8	S	S	*	*			trans	-100.4	135.6	-178.2	169.4	0	0	0	0	107.3
475	S	22.6	Very low	21.3	Very low	93 Å²	93	144.1 Å²	144.1	65%	0.65	79%	0.793	S	S	*	*				-173.7	144.6	128.3	-121.8	0	0	0	0	114.6
476	D	22.2	Very low	21.5	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	80%	0.797	S	S	*	*			trans	67.7	102.4	147.7	-53	-38.9	0	0	0	122.2
477	K	17.8	Very low	21.3	Very low	204 Å²	204	144.7 Å²	144.7	89%	0.887	79%	0.789	S	S	*	*			trans	-54.2	134.1	146.3	-52.6	158.1	175.9	172.4	0	110
478	I	22.7	Very low	21.6	Very low	165 Å²	165	142.3 Å²	142.3	85%	0.846	79%	0.788	S	S	*	*				-144.8	131.2	129.6	-69.9	-162.5	0	0	0	107.6
479	Q	18.3	Very low	21.2	Very low	172 Å²	172	146.2 Å²	146.2	80%	0.804	80%	0.8	S	S	*	*			trans	-85.8	159.9	169.8	-60.5	169	-70.6	0	0	110
480	I	20.8	Very low	21.3	Very low	166 Å²	166	147.6 Å²	147.6	85%	0.851	80%	0.8	S	S	*	*			trans	163.9	147.8	130.5	-85.3	157.4	0	0	0	109.2
481	P	23.7	Very low	21.3	Very low	103 Å²	103	143.6 Å²	143.6	67%	0.669	79%	0.793	S	S	*	*			trans	-109.2	179.1	-144.1	40.9	-34.1	0	0	0	115.2	H483	P481-H483 PolarHBondContact O-N 3.3Å
482	T	19.2	Very low	21.6	Very low	132 Å²	132	145.2 Å²	145.2	81%	0.81	80%	0.797	S	S	*	*			trans	-51	122.5	167.1	48.8	0	0	0	0	112.9
483	H	20.2	Very low	21.7	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.806	80%	0.798	S	S	*	*			trans	-136.6	113.9	152.3	-107.7	-80.4	0	0	0	109.6	P481	P481-H483 PolarHBondContact O-N 3.3Å
484	S	22.3	Very low	21.7	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	79%	0.788	S	S	*	*			trans	-83	132.1	163.5	42.8	0	0	0	0	109.3
485	T	20.2	Very low	22.1	Very low	105 Å²	105	145.1 Å²	145.1	64%	0.644	78%	0.781	S	S	*	*			trans	-141.3	118.7	167.3	-52.8	0	0	0	0	107.2
486	Y	24.7	Very low	22.1	Very low	238 Å²	238	147 Å²	147	93%	0.933	78%	0.784	S	S	*	*			trans	-166.2	135.5	135.8	-101.4	-65.5	0	0	0	109
487	S	20.5	Very low	22	Very low	105 Å²	105	146 Å²	146	73%	0.734	78%	0.784	S	S	*	*			trans	-122.9	146.9	-172	-53.3	0	0	0	0	110.9
488	T	26	Very low	22.1	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	77%	0.77	S	S	*	*			trans	-167.5	110.2	151.7	22.7	0	0	0	0	106.3
489	M	21.6	Very low	22	Very low	179 Å²	179	140.6 Å²	140.6	88%	0.882	77%	0.767	S	S	*	*				54.4	122.7	93.9	-63.7	-172.8	179.2	0	0	112.1
490	I	23.4	Very low	22	Very low	176 Å²	176	141.1 Å²	141.1	90%	0.903	77%	0.77	S	S	*	*			cis	-147.5	157.6	18.3	-56.8	173.6	0	0	0	107
491	G	21.2	Very low	22.1	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	77%	0.773	S	S	*	*			cis	165.1	-169.9	-0.2	0	0	0	0	0	110.9
492	Q	24.5	Very low	22	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	78%	0.778	S	S	*	*			trans	61.2	145.9	-175.7	-68.2	-171.3	-57.3	0	0	118.3
493	E	22.1	Very low	22	Very low	154 Å²	154	140.2 Å²	140.2	72%	0.72	78%	0.776	S	S	*	*			cis	-167.8	130.8	-42.6	-125.6	-165.7	164.9	0	0	111.8
494	I	24.3	Very low	22.1	Very low	138 Å²	138	138.7 Å²	138.7	71%	0.708	78%	0.778	S	S	*	*			trans	61.8	162.4	154.2	-10.9	-176.5	0	0	0	117.8
495	P	26	Very low	22	Very low	97 Å²	97	141 Å²	141	63%	0.63	78%	0.776	S	S	*	*				-135.1	-170.9	-84.1	45.7	-32.7	0	0	0	117.1
496	N	21.9	Very low	22.1	Very low	134 Å²	134	141.8 Å²	141.8	72%	0.717	79%	0.785	S	S	*	*			trans	119.2	111.8	133.8	-84.9	-6	0	0	0	119.7
497	T	20.5	Very low	21.9	Very low	124 Å²	124	137.3 Å²	137.3	76%	0.761	78%	0.777	S	S	*	*			trans	59.3	148.7	135.8	55.1	0	0	0	0	121.5
498	S	20	Very low	22	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	79%	0.786	S	S	*	*			cis	179.6	169.4	-24.5	53.6	0	0	0	0	108.3
499	Q	21.4	Very low	21.8	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	79%	0.785	S	S	*	*			trans	76.4	110.5	170.2	-54.6	171.9	5.2	0	0	114.2
500	Q	18.3	Very low	21.8	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	79%	0.785	S	S	*	*				69.2	115.9	66.3	-73.9	-173.6	-31.3	0	0	114.8
501	S	23.2	Very low	21.7	Very low	130 Å²	130	136.3 Å²	136.3	91%	0.909	78%	0.779	S	S	*	*			trans	-161.6	142.1	136.6	-83.9	0	0	0	0	110.9
502	T	19.8	Very low	21.8	Very low	128 Å²	128	141 Å²	141	79%	0.785	79%	0.788	S	S	*	*			trans	-104.3	138.9	-166.9	42.3	0	0	0	0	114
503	V	19.8	Very low	21.6	Very low	125 Å²	125	138.3 Å²	138.3	76%	0.758	78%	0.784	S	S	*	*				27.8	120.3	125.9	-173	0	0	0	0	119
504	V	22.4	Very low	21.6	Very low	142 Å²	142	134.1 Å²	134.1	86%	0.861	78%	0.782	S	S	*	*			trans	-143.5	140.2	146.1	177.4	0	0	0	0	109.7
505	H	19.6	Very low	21.6	Very low	166 Å²	166	136 Å²	136	77%	0.769	79%	0.788	S	S	*	*			trans	-83.6	157.2	174.9	-79.2	-75.6	0	0	0	113.2
506	S	23.6	Very low	21.4	Very low	122 Å²	122	139.9 Å²	139.9	85%	0.853	80%	0.798	S	S	*	*			trans	-166.3	146.4	130.6	-112.1	0	0	0	0	113.6
507	N	19.1	Very low	21.6	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	80%	0.803	S	S	*	*			trans	-86.5	151.8	177.7	-64.2	-34.4	0	0	0	110.9
508	N	24	Very low	21.8	Very low	171 Å²	171	142.6 Å²	142.6	91%	0.914	81%	0.806	S	S	*	*			trans	-161.3	141.7	137.9	-107.8	-21.2	0	0	0	112.7
509	T	20.6	Very low	22.2	Very low	128 Å²	128	144.1 Å²	144.1	79%	0.785	82%	0.817	S	S	*	*			trans	-109.3	117.9	-174.4	-46.1	0	0	0	0	110
510	T	23.1	Very low	22.4	Very low	143 Å²	143	143.1 Å²	143.1	88%	0.877	82%	0.816	S	S	*	*			trans	-154	138.3	155.9	8.4	0	0	0	0	111.8
511	V	19.9	Very low	22.8	Very low	128 Å²	128	142 Å²	142	78%	0.776	82%	0.817	S	S	*	*			trans	-88.4	138.7	177.9	173.9	0	0	0	0	109.3
512	I	24.6	Very low	23	Very low	162 Å²	162	145.3 Å²	145.3	83%	0.831	82%	0.815	S	S	*	*			trans	-174.2	154.6	133.1	-94.2	154	0	0	0	110.2
513	T	20.1	Very low	23.3	Very low	131 Å²	131	147.3 Å²	147.3	80%	0.804	82%	0.82	S	S	*	*			trans	-69.9	142.9	-164.2	49.3	0	0	0	0	117.1
514	G	21.4	Very low	23.5	Very low	66 Å²	66	152.7 Å²	152.7	68%	0.68	83%	0.827	S	S	*	*			trans	104.9	98.6	130.9	0	0	0	0	0	118.7
515	H	24.1	Very low	23.9	Very low	178 Å²	178	154 Å²	154	82%	0.824	83%	0.829	S	S	*	*				-164	151	124.9	-116.8	-71.2	0	0	0	112.3
516	E	22.7	Very low	24.3	Very low	178 Å²	178	153.9 Å²	153.9	83%	0.832	83%	0.834	S	S	*	*			trans	-66.6	137.2	179.4	-61	159	122.9	0	0	112.3
517	I	26.2	Very low	24.4	Very low	163 Å²	163	159.3 Å²	159.3	84%	0.836	84%	0.836	S	S	*	*			trans	-114.3	122.6	171.3	-64.3	179.6	0	0	0	109.2	S519	I517-S519 PolarHBondContact O-N 2.94Å
518	N	24.3	Very low	25	Very low	153 Å²	153	158.6 Å²	158.6	82%	0.818	84%	0.839	S	S	*	*			trans	-59	126.8	177.7	-80.4	-52.7	0	0	0	112.3
519	S	29	Very low	25.3	Very low	119 Å²	119	157.5 Å²	157.5	83%	0.832	83%	0.833	S	S	*	*			trans	-103.5	69.3	173.1	48.6	0	0	0	0	112.1	I517	I517-S519 PolarHBondContact O-N 2.94Å
520	N	24.8	Very low	25.7	Very low	146 Å²	146	156.5 Å²	156.5	78%	0.781	83%	0.831	S	S	*	*			trans	-113.3	72.1	173.9	-91.1	-20.8	0	0	0	111.1
521	D	26.7	Very low	25.9	Very low	161 Å²	161	157 Å²	157	86%	0.861	83%	0.834	S	S	*	*			trans	-157.9	56	169	-119.4	-20.8	0	0	0	114.4
522	K	26.4	Very low	26.3	Very low	199 Å²	199	155.1 Å²	155.1	87%	0.865	83%	0.826	S	S	*	*			trans	-145.9	81.1	163.8	-73.6	-165.6	179.6	179.7	0	111.5
523	N	27.6	Very low	26.4	Very low	170 Å²	170	153.3 Å²	153.3	91%	0.909	83%	0.828	S	S	*	*			trans	-174.4	86.5	151.1	-97	-18	0	0	0	111.4
524	R	23.9	Very low	26.8	Very low	238 Å²	238	152.9 Å²	152.9	90%	0.898	82%	0.82	S	S	*	*			trans	-136.9	98.3	160.4	-84.2	-174.8	171.8	-178.6	-0.9	107.8
525	N	29.2	Very low	27	Very low	169 Å²	169	154.3 Å²	154.3	90%	0.904	83%	0.825	S	S	*	*			trans	-171.6	67.9	163.7	-95.4	-17	0	0	0	109.3
526	D	29.2	Very low	27.3	Very low	163 Å²	163	151.2 Å²	151.2	87%	0.872	81%	0.814	S	S	*	*			trans	-113.9	103.6	163.6	-88.5	-41.5	0	0	0	107.7
527	R	25.8	Very low	27.6	Very low	237 Å²	237	148.3 Å²	148.3	89%	0.894	81%	0.809	S	S	*	*			trans	-107.8	146.1	161.3	-103.9	-179.1	172.1	166.6	-2.5	107.8
528	P	30.4	Very low	28	Very low	127 Å²	127	148.7 Å²	148.7	83%	0.825	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.3	131	-170.6	-8.8	25.8	0	0	0	111.5	S530	P528-S530 PolarHBondContact O-N 3.39Å
529	D	31.4	Very low	28.3	Very low	148 Å²	148	147.7 Å²	147.7	79%	0.791	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61.7	117.4	179.4	-63.3	-45.4	0	0	0	111.8
530	S	28.6	Very low	28.4	Very low	107 Å²	107	151.1 Å²	151.1	75%	0.748	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.6	140.6	167.5	51.1	0	0	0	0	110.9	P528 S532	P528-S530 PolarHBondContact O-N 3.39Å; S530-S532 PolarHBondContact O-N 3.46Å; S530-S532 VanDerWaalsContact O-N 3.14Å
531	V	26.6	Very low	28.6	Very low	154 Å²	154	149.2 Å²	149.2	93%	0.933	80%	0.804	S	S	*	*			trans	-69.1	108.1	-175.3	-178.2	0	0	0	0	111.4
532	S	29.3	Very low	28.7	Very low	88 Å²	88	149.1 Å²	149.1	62%	0.615	80%	0.803	S	S	*	*			trans	-121.1	127.8	161.3	57.8	0	0	0	0	110.3	S530 I534	S530-S532 PolarHBondContact O-N 3.46Å; S530-S532 VanDerWaalsContact O-N 3.14Å; S532-I534 PolarHBondContact O-N 2.99Å; S532-I534 VanDerWaalsContact O-N 3.11Å
533	S	26.6	Very low	28.9	Very low	124 Å²	124	145.5 Å²	145.5	87%	0.867	80%	0.797	S	S	*	*			trans	-75.2	94.1	176.9	49.2	0	0	0	0	110.2
534	I	28	Very low	28.9	Very low	122 Å²	122	143.7 Å²	143.7	63%	0.626	79%	0.788	S	S	*	*			trans	-103.1	116.5	168.9	-63.2	175.6	0	0	0	107.7	S532 L536	S532-I534 PolarHBondContact O-N 2.99Å; S532-I534 VanDerWaalsContact O-N 3.11Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; I534-L536 PolarHBondContact O-N 3.05Å
535	A	26.3	Very low	29.5	Very low	96 Å²	96	138.1 Å²	138.1	79%	0.793	79%	0.785	S	S	*	*			trans	-64.6	118.6	167	0	0	0	0	0	107.9	T537	A535-T537 PolarHBondContact O-N 3.25Å
536	L	30.3	Very low	29.6	Very low	113 Å²	113	138.7 Å²	138.7	59%	0.592	78%	0.783	S	S	*	*			trans	-92.1	97.3	-179.9	-66.8	171.3	0	0	0	108.7	I534	I534-L536 HydrophobicContact CG2-CD2 4.23Å; I534-L536 PolarHBondContact O-N 3.05Å
537	T	29.2	Very low	29.6	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.724	78%	0.779	S	S	*	*			trans	-65.8	141.5	148	40.7	0	0	0	0	108.3	A535 D539	A535-T537 PolarHBondContact O-N 3.25Å; T537-D539 PolarHBondContact O-N 3.16Å
538	D	34.5	Very low	29.8	Very low	171 Å²	171	135.4 Å²	135.4	91%	0.914	77%	0.773	S	S	*	*	S	Bend	trans	-76.2	67.4	178.7	-80.2	-40.8	0	0	0	110.5
539	D	30.8	Very low	29.8	Very low	131 Å²	131	132.4 Å²	132.4	70%	0.701	75%	0.754	S	S	*	*			trans	-123.9	82.3	170.8	-106.7	-40.5	0	0	0	110.1	T537	T537-D539 PolarHBondContact O-N 3.16Å
540	Q	31.9	Very low	29.9	Very low	192 Å²	192	131.1 Å²	131.1	90%	0.897	75%	0.751	S	S	*	*			trans	-118.3	77.9	155.4	-161.7	160.9	32	0	0	107.4	D542	Q540-D542 PolarHBondContact O-N 3.21Å
541	T	27.4	Very low	30.4	Very low	105 Å²	105	133.3 Å²	133.3	64%	0.644	74%	0.744	S	S	*	*			trans	-35.6	128.9	178.6	50.2	0	0	0	0	113.1	V543	T541-V543 PolarHBondContact O-N 3.47Å
542	D	28.6	Very low	31	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	74%	0.738	S	S	*	*			trans	-57.6	105.6	176.6	-83.3	-49.3	0	0	0	111.4	Q540 N544	Q540-D542 PolarHBondContact O-N 3.21Å; D542-N544 PolarHBondContact O-N 2.87Å
543	V	31	Very low	31.8	Very low	122 Å²	122	133.6 Å²	133.6	74%	0.739	72%	0.723	S	S	*	*	S	Bend	trans	-74.6	113.3	170.6	-179.9	0	0	0	0	108.3	T541	T541-V543 PolarHBondContact O-N 3.47Å
544	N	29.2	Very low	32.9	Very low	133 Å²	133	132.9 Å²	132.9	71%	0.711	71%	0.71	S	S	*	*			trans	86.2	78.7	175.1	-49.5	-31.4	0	0	0	116.5	D542 E546	D542-N544 PolarHBondContact O-N 2.87Å; N544-E546 PolarHBondContact O-N 3.45Å
545	S	34.6	Very low	34.5	Very low	121 Å²	121	132.4 Å²	132.4	85%	0.846	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	21.3	170.9	59.1	0	0	0	0	115.9
546	E	31.3	Very low	36.6	Very low	181 Å²	181	132.5 Å²	132.5	85%	0.846	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-1.2	-178.2	-148.1	175.5	-161.9	0	0	114	N544	N544-E546 PolarHBondContact O-N 3.45Å
547	F	29.6	Very low	38.9	Very low	182 Å²	182	128.5 Å²	128.5	80%	0.798	68%	0.678	S	S	*	*			trans	-98.2	87	165.2	-108.8	-98.2	0	0	0	110.4	P549	F547-P549 HydrophobicContact CD1-CG 4.43Å; F547-P549 WeakPolarHBondContact O-CD 3.36Å
548	I	29.9	Very low	41.5	Very low	148 Å²	148	126 Å²	126	76%	0.759	66%	0.656	S	S	*	*			trans	-93.9	81.8	153.7	-53.3	176.1	0	0	0	107.3	T550	I548-T550 VanDerWaalsContact C-N 3.28Å; I548-T550 PolarHBondContact O-N 2.87Å
549	P	30.6	Very low	44	Very low	65 Å²	65	117.9 Å²	117.9	42%	0.422	61%	0.612	S	S	.	*			trans	-66.3	102.1	159.3	30.4	-29.9	0	0	0	105.5	F547 Y551	F547-P549 HydrophobicContact CD1-CG 4.43Å; F547-P549 WeakPolarHBondContact O-CD 3.36Å; P549-Y551 WeakPolarHBondContact O-CD2 3.15Å; P549-Y551 PolarHBondContact O-N 3.48Å
550	T	33.6	Very low	46.5	Very low	121 Å²	121	113.4 Å²	113.4	74%	0.742	59%	0.591	S	S	*	*			trans	-54.3	99.7	157.7	30.3	0	0	0	0	106	I548 K552	I548-T550 VanDerWaalsContact C-N 3.28Å; I548-T550 PolarHBondContact O-N 2.87Å; T550-K552 PolarHBondContact O-N 2.85Å
551	Y	39.4	Very low	48.9	Very low	152 Å²	152	107.1 Å²	107.1	60%	0.596	56%	0.564	S	S	*	*			trans	-56	107.5	178.1	-74.5	-91.7	0	0	0	106.5	P549 M553	P549-Y551 WeakPolarHBondContact O-CD2 3.15Å; P549-Y551 PolarHBondContact O-N 3.48Å; Y551-M553 PolarHBondContact O-N 3.25Å
552	K	38.9	Very low	51.6	Low	186 Å²	186	102.5 Å²	102.5	81%	0.809	54%	0.535	S	S	*	.			trans	-53.8	101.4	153.4	-104.3	-179.3	174.1	174.9	0	104	T550 N554	T550-K552 PolarHBondContact O-N 2.85Å; K552-N554 VanDerWaalsContact C-N 3.25Å; K552-N554 PolarHBondContact O-N 3.29Å
553	M	47	Very low	54.3	Low	62 Å²	62	95.8 Å²	95.8	31%	0.305	50%	0.501	S	S	.	.			trans	-64.1	97.6	177	-87.5	-156.3	157.6	0	0	106.7	Y551 V555 Y809	Y551-M553 PolarHBondContact O-N 3.25Å; M553-V555 PolarHBondContact O-N 2.88Å; M553-Y809 HydrophobicContact SD-CE2 3.92Å
554	N	49.5	Very low	56.8	Low	110 Å²	110	96.5 Å²	96.5	59%	0.588	49%	0.494	S	S	*	.			trans	-58.3	129.3	170.4	-71	-26.4	0	0	0	106.3	K552 L556 Y809	K552-N554 VanDerWaalsContact C-N 3.25Å; K552-N554 PolarHBondContact O-N 3.29Å; N554-L556 PolarHBondContact O-N 2.89Å; N554-Y809 PolarHBondContact O-OH 2.99Å
555	V	61.8	Low	59.5	Low	111 Å²	111	96 Å²	96	67%	0.673	49%	0.485	S	S	*	.	S	Bend	trans	-59.9	-18.4	-177	-179.9	0	0	0	0	111.5	M553	M553-V555 PolarHBondContact O-N 2.88Å
556	L	69.9	Low	62	Low	99 Å²	99	99.2 Å²	99.2	52%	0.518	48%	0.479	S	S	.	.	S	Bend	trans	-116.4	117.7	175.5	-64.4	151	0	0	0	108.2	N554 F954	N554-L556 PolarHBondContact O-N 2.89Å; L556-F954 HydrophobicContact CB-CE1 4.45Å; L556-F954 HydrophobicContact CD2-CD1 4.18Å; L556-F954 HydrophobicContact CD2-CE1 3.75Å
557	L	78.1	Confident	64.6	Low	28 Å²	28	92.2 Å²	92.2	15%	0.147	45%	0.445	C	S	.	.			trans	-108.9	141.4	174.6	-135.8	88.3	0	0	0	110.2	D561 L562 M780 V955	L557-D561 HydrophobicContact CD2-CB 4.38Å; L557-D561 HydrophobicContact CG-CB 4.23Å; L557-L562 HydrophobicContact CD2-CD1 3.91Å; L557-L562 HydrophobicContact CD2-CD2 4.16Å; L557-L562 HydrophobicContact CD2-CG 3.83Å; L557-M780 HydrophobicContact CD2-CE 3.94Å; L557-M780 HydrophobicContact CD2-SD 3.74Å; L557-V955 HydrophobicContact CB-CB 4.38Å; L557-V955 PolarHBondContact O-N 3.46Å
558	Y	84.7	Confident	67.3	Low	67 Å²	67	85.6 Å²	85.6	26%	0.263	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-112.6	156.7	-179.5	-65.8	-81	0	0	0	112	S560 D561 N951 I953 F954 V955	Y558-S560 WeakPolarHBondContact CB-OG 3.18Å; Y558-S560 PolarHBondContact O-N 3.01Å; Y558-S560 VanDerWaalsContact O-N 3.14Å; Y558-D561 PolarHBondContact N-OD2 2.89Å; Y558-D561 WeakPolarHBondContact O-CB 3.38Å; Y558-D561 PolarHBondContact O-N 3.19Å; Y558-N951 VanDerWaalsContact CD1-O 3.28Å; Y558-N951 WeakPolarHBondContact CD1-O 3.48Å; Y558-N951 WeakPolarHBondContact CE1-O 3.35Å; Y558-I953 CarbonylContact C-O 3.57Å; Y558-I953 VanDerWaalsContact CA-O 3.32Å; Y558-I953 WeakPolarHBondContact CA-O 3.4Å; Y558-F954 HydrophobicContact CD1-CD1 4.12Å; Y558-F954 HydrophobicContact CD1-CE1 4.24Å; Y558-F954 AromaticContact CE1-CD1 3.66Å; Y558-F954 HydrophobicContact CE1-CD1 3.66Å; Y558-F954 AromaticContact CE1-CE1 3.33Å; Y558-F954 HydrophobicContact CE1-CE1 3.33Å; Y558-F954 HydrophobicContact CE1-CG 4.39Å; Y558-F954 AromaticContact CE1-CZ 3.83Å; Y558-F954 HydrophobicContact CE1-CZ 3.83Å; Y558-F954 AromaticContact CZ-CE1 3.56Å; Y558-F954 WeakPolarHBondContact OH-CE1 3.35Å; Y558-V955 VanDerWaalsContact C-CG2 3.42Å
559	V	85.8	Confident	70.1	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	179.3	172.4	0	0	0	0	111.5	D561 L562 S563 R950 I953 V955	V559-D561 PolarHBondContact O-N 3.02Å; V559-L562 PolarHBondContact O-N 3.44Å; V559-S563 WeakPolarHBondContact O-CB 3.28Å; V559-S563 PolarHBondContact O-N 3.46Å; V559-S563 VanDerWaalsContact O-N 3.15Å; V559-S563 PolarHBondContact O-OG 2.99Å; V559-R950 HydrophobicContact CG1-CG 4.36Å; V559-I953 HydrophobicContact CB-CB 4.24Å; V559-I953 HydrophobicContact CB-CG2 4.35Å; V559-I953 HydrophobicContact CG2-CB 4Å; V559-I953 HydrophobicContact CG2-CG2 3.61Å; V559-I953 PolarHBondContact N-O 2.95Å; V559-V955 HydrophobicContact CB-CG2 4.5Å; V559-V955 HydrophobicContact CG2-CG2 3.86Å
560	S	83.8	Confident	72.8	Confident	36 Å²	36	79.6 Å²	79.6	25%	0.252	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.8	168.6	48.3	0	0	0	0	113.6	Y558 L562 R950	Y558-S560 WeakPolarHBondContact CB-OG 3.18Å; Y558-S560 PolarHBondContact O-N 3.01Å; Y558-S560 VanDerWaalsContact O-N 3.14Å; S560-L562 VanDerWaalsContact C-N 3.34Å; S560-R950 PolarHBondContact N-O 3.5Å
561	D	83	Confident	75.5	Confident	60 Å²	60	75 Å²	75	32%	0.321	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-22.3	-170.4	-47.4	-26.5	0	0	0	111.3	L557 Y558 V559 K564	L557-D561 HydrophobicContact CD2-CB 4.38Å; L557-D561 HydrophobicContact CG-CB 4.23Å; Y558-D561 PolarHBondContact N-OD2 2.89Å; Y558-D561 WeakPolarHBondContact O-CB 3.38Å; Y558-D561 PolarHBondContact O-N 3.19Å; V559-D561 PolarHBondContact O-N 3.02Å; D561-K564 VanDerWaalsContact O-CE 3.27Å; D561-K564 WeakPolarHBondContact O-CE 3.21Å
562	L	83.1	Confident	78	Confident	8 Å²	8	74.6 Å²	74.6	4%	0.042	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	17.9	178.8	-61.5	-179.5	0	0	0	113.7	L557 V559 S560 P727 D728 V729 M780 V955	L557-L562 HydrophobicContact CD2-CD1 3.91Å; L557-L562 HydrophobicContact CD2-CD2 4.16Å; L557-L562 HydrophobicContact CD2-CG 3.83Å; V559-L562 PolarHBondContact O-N 3.44Å; S560-L562 VanDerWaalsContact C-N 3.34Å; L562-P727 WeakPolarHBondContact O-CD 3.41Å; L562-P727 WeakPolarHBondContact O-CG 3.29Å; L562-D728 VanDerWaalsContact O-CB 3.25Å; L562-D728 WeakPolarHBondContact O-CB 3.33Å; L562-D728 PolarHBondContact O-N 2.77Å; L562-V729 HydrophobicContact CD2-CG2 4.09Å; L562-M780 HydrophobicContact CD1-SD 4.21Å; L562-V955 HydrophobicContact CD1-CG1 3.75Å; L562-V955 HydrophobicContact CD1-CG2 4.16Å
563	S	85.1	Confident	80.5	Confident	20 Å²	20	68.4 Å²	68.4	14%	0.14	34%	0.338	C	S	.	.			trans	-131.7	43.3	174.2	61.4	0	0	0	0	112.8	V559 D728	V559-S563 WeakPolarHBondContact O-CB 3.28Å; V559-S563 PolarHBondContact O-N 3.46Å; V559-S563 VanDerWaalsContact O-N 3.15Å; V559-S563 PolarHBondContact O-OG 2.99Å; S563-D728 WeakPolarHBondContact CA-OD2 3.4Å
564	K	84.7	Confident	82.8	Confident	137 Å²	137	65.4 Å²	65.4	60%	0.596	32%	0.323	S	S	*	.			trans	-78.7	-28.5	179	-63.3	177.4	179.5	173	0	112.5	D561 D728	D561-K564 VanDerWaalsContact O-CE 3.27Å; D561-K564 WeakPolarHBondContact O-CE 3.21Å; K564-D728 WeakPolarHBondContact CA-OD2 3.33Å; K564-D728 PolarHBondContact N-OD2 3.2Å
565	K	85.4	Confident	84.9	Confident	122 Å²	122	62.3 Å²	62.3	53%	0.53	31%	0.306	S	S	.	.	S	Bend	trans	-68.9	142.5	-177.4	-65.2	174.3	-177.7	173.1	0	111.8	Y567 D728	K565-Y567 PolarHBondContact O-N 2.86Å; K565-D728 WeakPolarHBondContact CB-OD1 3.03Å; K565-D728 HydrophobicContact CD-CB 3.94Å; K565-D728 HydrophobicContact CG-CB 4.28Å; K565-D728 PolarHBondContact N-OD2 2.94Å; K565-D728 PolarHBondContact NZ-O 3.34Å
566	R	86.7	Confident	86.6	Confident	189 Å²	189	59.5 Å²	59.5	71%	0.713	29%	0.288	S	S	*	.			trans	-60.6	130.4	179.9	-167.1	179	-175.7	-159.2	0.8	110.5	G568 T569 L570	R566-G568 PolarHBondContact O-N 3.09Å; R566-G568 VanDerWaalsContact O-N 3.08Å; R566-T569 PolarHBondContact O-N 3.39Å; R566-T569 VanDerWaalsContact O-N 3.16Å; R566-L570 PolarHBondContact O-N 3.3Å
567	Y	85.9	Confident	87.9	Confident	34 Å²	34	54.8 Å²	54.8	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-49.8	-39.8	-177.1	179.9	-86	0	0	0	114	K565 L570 N571 H655 Q672 H673	K565-Y567 PolarHBondContact O-N 2.86Å; Y567-L570 PolarHBondContact O-N 3.3Å; Y567-N571 HydrophobicContact CD1-CB 4.38Å; Y567-N571 HydrophobicContact CE1-CB 4.06Å; Y567-N571 WeakPolarHBondContact O-CB 3.38Å; Y567-N571 PolarHBondContact O-N 3.35Å; Y567-H655 AromaticContact CE2-NE2 3.89Å; Y567-H655 AromaticContact CZ-NE2 3.81Å; Y567-H655 PolarHBondContact OH-CD2 3.48Å; Y567-H655 PolarHBondContact OH-NE2 2.74Å; Y567-Q672 WeakPolarHBondContact CE2-O 3.28Å; Y567-Q672 PolarHBondContact OH-O 3.03Å; Y567-H673 AromaticContact CD2-CE1 3.36Å; Y567-H673 WeakPolarHBondContact CD2-CE1 3.44Å; Y567-H673 AromaticContact CD2-NE2 3.92Å; Y567-H673 AromaticContact CE2-CE1 3.42Å; Y567-H673 VanDerWaalsContact CE2-CE1 3.42Å; Y567-H673 WeakPolarHBondContact CE2-CE1 3.43Å; Y567-H673 AromaticContact CE2-ND1 3.7Å
568	G	86	Confident	88.8	Confident	42 Å²	42	55.7 Å²	55.7	43%	0.433	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-49.8	-178.8	0	0	0	0	0	112.8	R566 L570 N571 R572	R566-G568 PolarHBondContact O-N 3.09Å; R566-G568 VanDerWaalsContact O-N 3.08Å; G568-L570 VanDerWaalsContact C-N 3.34Å; G568-L570 PolarHBondContact O-N 3.39Å; G568-N571 PolarHBondContact O-N 2.95Å; G568-R572 PolarHBondContact O-N 3.3Å
569	T	88.7	Confident	89.4	Confident	80 Å²	80	59.7 Å²	59.7	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-47.3	176.3	-45.8	0	0	0	0	111	R566 R572 K573	R566-T569 PolarHBondContact O-N 3.39Å; R566-T569 VanDerWaalsContact O-N 3.16Å; T569-R572 PolarHBondContact O-N 2.87Å; T569-K573 PolarHBondContact O-N 3Å
570	L	88	Confident	89.9	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-36.1	-178.2	-171.5	56	0	0	0	112.6	R566 Y567 G568 K573 Y574 H673 P727	R566-L570 PolarHBondContact O-N 3.3Å; Y567-L570 PolarHBondContact O-N 3.3Å; G568-L570 VanDerWaalsContact C-N 3.34Å; G568-L570 PolarHBondContact O-N 3.39Å; L570-K573 HydrophobicContact CD1-CD 4.23Å; L570-K573 PolarHBondContact O-N 2.83Å; L570-Y574 HydrophobicContact CD1-CD2 3.96Å; L570-Y574 HydrophobicContact CD1-CE2 3.33Å; L570-Y574 HydrophobicContact CD2-CE2 4.04Å; L570-Y574 HydrophobicContact CG-CD2 3.89Å; L570-Y574 HydrophobicContact CG-CE2 3.45Å; L570-Y574 VanDerWaalsContact CG-CE2 3.45Å; L570-Y574 WeakPolarHBondContact O-CD2 3.02Å; L570-Y574 PolarHBondContact O-N 2.97Å; L570-H673 WeakPolarHBondContact CD2-NE2 3.4Å; L570-P727 HydrophobicContact CD2-CB 4.23Å; L570-P727 WeakPolarHBondContact CD2-O 3.4Å
571	N	90.5	Very high	90.5	Very high	24 Å²	24	60.9 Å²	60.9	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-39.6	173.1	-170.7	65.9	0	0	0	112.2	Y567 G568 Y574 L575	Y567-N571 HydrophobicContact CD1-CB 4.38Å; Y567-N571 HydrophobicContact CE1-CB 4.06Å; Y567-N571 WeakPolarHBondContact O-CB 3.38Å; Y567-N571 PolarHBondContact O-N 3.35Å; G568-N571 PolarHBondContact O-N 2.95Å; N571-Y574 PolarHBondContact O-N 3.37Å; N571-L575 WeakPolarHBondContact ND2-CD1 3.34Å; N571-L575 WeakPolarHBondContact O-CG 3.44Å; N571-L575 PolarHBondContact O-N 3.41Å
572	R	91.8	Very high	91.2	Very high	144 Å²	144	60.3 Å²	60.3	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-48.1	173.1	-171.8	173.8	68.7	-156	3.4	110.8	G568 T569 Y574 L575 L576	G568-R572 PolarHBondContact O-N 3.3Å; T569-R572 PolarHBondContact O-N 2.87Å; R572-Y574 VanDerWaalsContact C-N 3.31Å; R572-Y574 PolarHBondContact O-N 3.12Å; R572-L575 PolarHBondContact O-N 2.99Å; R572-L576 PolarHBondContact O-N 3.45Å
573	K	92.1	Very high	91.8	Very high	55 Å²	55	64 Å²	64	24%	0.239	30%	0.295	C	S	.	.	H	α-helix	trans	-53.4	-45.3	174.9	-176.2	-174.5	174.4	-174.3	0	112.1	T569 L570 L576 N730 A731	T569-K573 PolarHBondContact O-N 3Å; L570-K573 HydrophobicContact CD1-CD 4.23Å; L570-K573 PolarHBondContact O-N 2.83Å; K573-L576 WeakPolarHBondContact O-CB 3.38Å; K573-L576 PolarHBondContact O-N 3.43Å; K573-N730 PolarHBondContact NZ-O 3.37Å; K573-A731 WeakPolarHBondContact CE-O 3.47Å
574	Y	93.6	Very high	92.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-75.1	-26.7	-179.4	-71.3	-52.3	0	0	0	114.6	L570 N571 R572 L576 Y577 H673 G675 Q723 P727 N730	L570-Y574 HydrophobicContact CD1-CD2 3.96Å; L570-Y574 HydrophobicContact CD1-CE2 3.33Å; L570-Y574 HydrophobicContact CD2-CE2 4.04Å; L570-Y574 HydrophobicContact CG-CD2 3.89Å; L570-Y574 HydrophobicContact CG-CE2 3.45Å; L570-Y574 VanDerWaalsContact CG-CE2 3.45Å; L570-Y574 WeakPolarHBondContact O-CD2 3.02Å; L570-Y574 PolarHBondContact O-N 2.97Å; N571-Y574 PolarHBondContact O-N 3.37Å; R572-Y574 VanDerWaalsContact C-N 3.31Å; R572-Y574 PolarHBondContact O-N 3.12Å; Y574-L576 VanDerWaalsContact C-N 3.26Å; Y574-L576 PolarHBondContact O-N 3.01Å; Y574-Y577 HydrophobicContact CD1-CD2 4.27Å; Y574-Y577 HydrophobicContact CD1-CE2 4.08Å; Y574-Y577 PolarHBondContact O-N 2.85Å; Y574-H673 HydrophobicContact CD2-CB 3.57Å; Y574-H673 AromaticContact CD2-CG 3.65Å; Y574-H673 HydrophobicContact CE2-CB 4.27Å; Y574-H673 HydrophobicContact CG-CB 4.27Å; Y574-G675 CarbonylContact O-C 3.56Å; Y574-G675 WeakPolarHBondContact O-CA 3.16Å; Y574-Q723 HydrophobicContact CE1-CG 3.84Å; Y574-Q723 HydrophobicContact CE2-CG 3.99Å; Y574-Q723 VanDerWaalsContact CZ-CG 3.48Å; Y574-Q723 WeakPolarHBondContact OH-CG 3.45Å; Y574-P727 PolarHBondContact OH-O 2.79Å; Y574-N730 HydrophobicContact CE1-CB 4.27Å; Y574-N730 VanDerWaalsContact OH-CB 3.24Å; Y574-N730 WeakPolarHBondContact OH-CB 3.35Å
575	L	95.2	Very high	92.7	Very high	44 Å²	44	59.5 Å²	59.5	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-70.4	-22	174.2	-77.5	166.3	0	0	0	113	N571 R572 Y577 F578 W579 Y678	N571-L575 WeakPolarHBondContact ND2-CD1 3.34Å; N571-L575 WeakPolarHBondContact O-CG 3.44Å; N571-L575 PolarHBondContact O-N 3.41Å; R572-L575 PolarHBondContact O-N 2.99Å; L575-Y577 PolarHBondContact O-N 3.07Å; L575-F578 PolarHBondContact O-N 3.32Å; L575-W579 PolarHBondContact O-N 3.42Å; L575-Y678 HydrophobicContact CD2-CD2 4.3Å
576	L	96.1	Very high	93.2	Very high	53 Å²	53	58 Å²	58	28%	0.277	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-30.7	173.3	-64	176.1	0	0	0	112.6	R572 K573 Y574 F578 W579 Y580 A733	R572-L576 PolarHBondContact O-N 3.45Å; K573-L576 WeakPolarHBondContact O-CB 3.38Å; K573-L576 PolarHBondContact O-N 3.43Å; Y574-L576 VanDerWaalsContact C-N 3.26Å; Y574-L576 PolarHBondContact O-N 3.01Å; L576-F578 VanDerWaalsContact C-N 3.33Å; L576-F578 PolarHBondContact O-N 3.33Å; L576-W579 PolarHBondContact O-N 2.81Å; L576-Y580 HydrophobicContact CB-CD2 4.38Å; L576-Y580 HydrophobicContact CB-CE2 4.02Å; L576-Y580 HydrophobicContact CD2-CE1 4.34Å; L576-Y580 WeakPolarHBondContact O-CB 3.49Å; L576-Y580 VanDerWaalsContact O-CG 3.28Å; L576-Y580 PolarHBondContact O-N 2.88Å; L576-A733 HydrophobicContact CB-CB 3.83Å
577	Y	97.3	Very high	93.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-44.7	175.5	-78.4	-92.8	0	0	0	111.9	Y574 L575 L581 L676 L716 L719 A731 S732 A733 A736 Y737	Y574-Y577 HydrophobicContact CD1-CD2 4.27Å; Y574-Y577 HydrophobicContact CD1-CE2 4.08Å; Y574-Y577 PolarHBondContact O-N 2.85Å; L575-Y577 PolarHBondContact O-N 3.07Å; Y577-L581 VanDerWaalsContact O-CB 3.3Å; Y577-L581 WeakPolarHBondContact O-CB 3.38Å; Y577-L581 PolarHBondContact O-N 3.5Å; Y577-L676 HydrophobicContact CD1-CD1 3.58Å; Y577-L676 HydrophobicContact CD2-CD1 3.95Å; Y577-L676 HydrophobicContact CE1-CD1 3.96Å; Y577-L676 HydrophobicContact CE2-CD1 4.32Å; Y577-L676 HydrophobicContact CG-CD1 3.55Å; Y577-L716 HydrophobicContact CD1-CD2 3.9Å; Y577-L719 HydrophobicContact CE1-CD1 3.76Å; Y577-L719 WeakPolarHBondContact OH-CD1 3.42Å; Y577-A731 PolarHBondContact OH-O 2.91Å; Y577-S732 PolarHBondContact OH-O 3.18Å; Y577-A733 HydrophobicContact CD1-CB 4.18Å; Y577-A733 HydrophobicContact CD2-CB 3.74Å; Y577-A733 HydrophobicContact CE1-CB 4.31Å; Y577-A733 HydrophobicContact CE2-CB 3.86Å; Y577-A733 HydrophobicContact CG-CB 3.91Å; Y577-A736 HydrophobicContact CE1-CB 3.75Å; Y577-Y737 AromaticContact CD1-CE2 3.92Å; Y577-Y737 HydrophobicContact CD1-CE2 3.92Å; Y577-Y737 PolarHBondContact O-OH 3.45Å
578	F	97.1	Very high	93.8	Very high	46 Å²	46	57.1 Å²	57.1	20%	0.202	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-46.7	178.2	175.9	-108.9	0	0	0	111.8	L575 L576 L581 I582 L645 L682	L575-F578 PolarHBondContact O-N 3.32Å; L576-F578 VanDerWaalsContact C-N 3.33Å; L576-F578 PolarHBondContact O-N 3.33Å; F578-L581 PolarHBondContact O-N 3.44Å; F578-I582 HydrophobicContact CD1-CD1 4.12Å; F578-I582 HydrophobicContact CE1-CD1 3.65Å; F578-I582 HydrophobicContact CE2-CD1 4.37Å; F578-I582 HydrophobicContact CZ-CD1 3.81Å; F578-I582 WeakPolarHBondContact O-CG1 3.48Å; F578-I582 PolarHBondContact O-N 3.13Å; F578-I582 VanDerWaalsContact O-N 3.09Å; F578-L645 HydrophobicContact CE2-CD2 4.45Å; F578-L682 HydrophobicContact CD2-CB 4.16Å; F578-L682 HydrophobicContact CD2-CD2 3.9Å; F578-L682 HydrophobicContact CE2-CB 4.02Å; F578-L682 HydrophobicContact CE2-CD2 3.85Å; F578-L682 HydrophobicContact CE2-CG 4.47Å
579	W	96.9	Very high	94	Very high	151 Å²	151	55.5 Å²	55.5	57%	0.572	26%	0.258	S	S	*	.	H	α-helix	trans	-66.8	-41.1	-179.9	-76.5	112.4	0	0	0	113.5	L575 L576 L581 I582 I583	L575-W579 PolarHBondContact O-N 3.42Å; L576-W579 PolarHBondContact O-N 2.81Å; W579-L581 VanDerWaalsContact C-N 3.33Å; W579-I582 HydrophobicContact CE3-CD1 3.89Å; W579-I582 HydrophobicContact CZ3-CD1 4.08Å; W579-I582 PolarHBondContact O-N 3.11Å; W579-I583 WeakPolarHBondContact O-CG1 3.33Å; W579-I583 PolarHBondContact O-N 3.03Å
580	Y	96.5	Very high	94.1	Very high	61 Å²	61	57.3 Å²	57.3	24%	0.239	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-34.5	176.3	-64.8	-13.1	0	0	0	111.8	L576 I583 I584 A733 H734 Y737	L576-Y580 HydrophobicContact CB-CD2 4.38Å; L576-Y580 HydrophobicContact CB-CE2 4.02Å; L576-Y580 HydrophobicContact CD2-CE1 4.34Å; L576-Y580 WeakPolarHBondContact O-CB 3.49Å; L576-Y580 VanDerWaalsContact O-CG 3.28Å; L576-Y580 PolarHBondContact O-N 2.88Å; Y580-I583 HydrophobicContact CD1-CD1 4.33Å; Y580-I583 PolarHBondContact O-N 2.95Å; Y580-I584 WeakPolarHBondContact O-CB 3.47Å; Y580-I584 WeakPolarHBondContact O-CD1 3.44Å; Y580-I584 VanDerWaalsContact O-CG1 3.24Å; Y580-I584 WeakPolarHBondContact O-CG1 3.45Å; Y580-I584 PolarHBondContact O-N 3.38Å; Y580-A733 HydrophobicContact CD2-CB 3.71Å; Y580-A733 HydrophobicContact CE2-CB 3.93Å; Y580-H734 AromaticContact CE2-CD2 3.99Å; Y580-H734 AromaticContact CE2-CE1 3.54Å; Y580-H734 AromaticContact CE2-CG 3.98Å; Y580-H734 AromaticContact CE2-ND1 3.7Å; Y580-H734 AromaticContact CE2-NE2 3.69Å; Y580-H734 AromaticContact CZ-CE1 3.54Å; Y580-H734 AromaticContact CZ-NE2 3.84Å; Y580-H734 PolarHBondContact OH-CE1 3.07Å; Y580-H734 PolarHBondContact OH-NE2 3.41Å; Y580-H734 VanDerWaalsContact OH-NE2 3.12Å; Y580-Y737 HydrophobicContact CD2-CD2 4.4Å
581	L	96.8	Very high	94.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-41.8	172.3	-170.9	59.3	0	0	0	111.8	Y577 F578 W579 I583 I584 S585 A679 L682 A683 Y709 I712 L716 Y737	Y577-L581 VanDerWaalsContact O-CB 3.3Å; Y577-L581 WeakPolarHBondContact O-CB 3.38Å; Y577-L581 PolarHBondContact O-N 3.5Å; F578-L581 PolarHBondContact O-N 3.44Å; W579-L581 VanDerWaalsContact C-N 3.33Å; L581-I583 VanDerWaalsContact C-N 3.32Å; L581-I583 PolarHBondContact O-N 3.3Å; L581-I584 PolarHBondContact O-N 2.75Å; L581-S585 VanDerWaalsContact O-CB 3.27Å; L581-S585 WeakPolarHBondContact O-CB 3.36Å; L581-S585 PolarHBondContact O-N 2.75Å; L581-S585 PolarHBondContact O-OG 3.48Å; L581-A679 HydrophobicContact CD2-CB 4.48Å; L581-A679 VanDerWaalsContact CD2-O 3.25Å; L581-A679 WeakPolarHBondContact CD2-O 3.46Å; L581-L682 HydrophobicContact CB-CD2 4.04Å; L581-L682 HydrophobicContact CD2-CB 4.06Å; L581-L682 HydrophobicContact CD2-CD2 4.01Å; L581-L682 HydrophobicContact CD2-CG 3.95Å; L581-L682 HydrophobicContact CG-CD2 3.93Å; L581-L682 HydrophobicContact CG-CG 4.21Å; L581-A683 HydrophobicContact CD2-CB 3.84Å; L581-Y709 HydrophobicContact CD1-CE1 4.18Å; L581-I712 HydrophobicContact CD1-CG2 3.99Å; L581-L716 HydrophobicContact CD2-CD1 4.24Å; L581-Y737 HydrophobicContact CD1-CE1 4.47Å
582	I	97	Very high	94.3	Very high	48 Å²	48	59.2 Å²	59.2	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-46.5	173.2	-66.1	169.7	0	0	0	111.3	F578 W579 S585 I586 L682	F578-I582 HydrophobicContact CD1-CD1 4.12Å; F578-I582 HydrophobicContact CE1-CD1 3.65Å; F578-I582 HydrophobicContact CE2-CD1 4.37Å; F578-I582 HydrophobicContact CZ-CD1 3.81Å; F578-I582 WeakPolarHBondContact O-CG1 3.48Å; F578-I582 PolarHBondContact O-N 3.13Å; F578-I582 VanDerWaalsContact O-N 3.09Å; W579-I582 HydrophobicContact CE3-CD1 3.89Å; W579-I582 HydrophobicContact CZ3-CD1 4.08Å; W579-I582 PolarHBondContact O-N 3.11Å; I582-S585 PolarHBondContact O-N 3.12Å; I582-I586 HydrophobicContact CG2-CD1 4Å; I582-I586 WeakPolarHBondContact O-CG1 3.25Å; I582-I586 PolarHBondContact O-N 3.29Å; I582-L682 HydrophobicContact CB-CD2 4.45Å; I582-L682 HydrophobicContact CD1-CD2 4.44Å; I582-L682 HydrophobicContact CG1-CD2 3.44Å; I582-L682 VanDerWaalsContact CG1-CD2 3.44Å
583	I	96.2	Very high	94.2	Very high	86 Å²	86	55.4 Å²	55.4	44%	0.441	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-51.1	-179.6	-65.3	169.2	0	0	0	110.4	W579 Y580 L581 S585 I586 F587	W579-I583 WeakPolarHBondContact O-CG1 3.33Å; W579-I583 PolarHBondContact O-N 3.03Å; Y580-I583 HydrophobicContact CD1-CD1 4.33Å; Y580-I583 PolarHBondContact O-N 2.95Å; L581-I583 VanDerWaalsContact C-N 3.32Å; L581-I583 PolarHBondContact O-N 3.3Å; I583-S585 PolarHBondContact O-N 3.45Å; I583-I586 PolarHBondContact O-N 3.44Å; I583-F587 HydrophobicContact CG2-CD2 3.82Å; I583-F587 HydrophobicContact CG2-CE2 4Å; I583-F587 WeakPolarHBondContact O-CD2 3.33Å; I583-F587 PolarHBondContact O-N 2.93Å; I583-F587 VanDerWaalsContact O-N 3.11Å
584	I	94.6	Very high	94.2	Very high	54 Å²	54	59.5 Å²	59.5	28%	0.277	29%	0.29	S	S	.	.	H	α-helix	trans	-53.9	-44.4	175.2	-69.4	164	0	0	0	109.9	Y580 L581 I586 F587 Y588 Y737	Y580-I584 WeakPolarHBondContact O-CB 3.47Å; Y580-I584 WeakPolarHBondContact O-CD1 3.44Å; Y580-I584 VanDerWaalsContact O-CG1 3.24Å; Y580-I584 WeakPolarHBondContact O-CG1 3.45Å; Y580-I584 PolarHBondContact O-N 3.38Å; L581-I584 PolarHBondContact O-N 2.75Å; I584-I586 PolarHBondContact O-N 2.89Å; I584-F587 PolarHBondContact O-N 3.38Å; I584-Y588 WeakPolarHBondContact O-CB 2.93Å; I584-Y588 PolarHBondContact O-N 3.15Å; I584-Y737 HydrophobicContact CD1-CD1 3.6Å; I584-Y737 HydrophobicContact CD1-CD2 4.14Å; I584-Y737 HydrophobicContact CD1-CE1 4.03Å; I584-Y737 HydrophobicContact CD1-CG 3.69Å
585	S	95.2	Very high	94.1	Very high	8 Å²	8	62.5 Å²	62.5	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-35.5	-178.8	-66.6	0	0	0	0	114.7	L581 I582 I583 G589 Y709	L581-S585 VanDerWaalsContact O-CB 3.27Å; L581-S585 WeakPolarHBondContact O-CB 3.36Å; L581-S585 PolarHBondContact O-N 2.75Å; L581-S585 PolarHBondContact O-OG 3.48Å; I582-S585 PolarHBondContact O-N 3.12Å; I583-S585 PolarHBondContact O-N 3.45Å; S585-G589 WeakPolarHBondContact O-CA 3.27Å; S585-G589 PolarHBondContact O-N 3.32Å; S585-Y709 WeakPolarHBondContact CA-OH 3.45Å; S585-Y709 VanDerWaalsContact CB-OH 3.31Å; S585-Y709 WeakPolarHBondContact CB-OH 3.39Å; S585-Y709 PolarHBondContact OG-OH 3.22Å
586	I	94.2	Very high	93.8	Very high	91 Å²	91	60.4 Å²	60.4	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-70.1	-51.7	175	-66.4	164.5	0	0	0	110.1	I582 I583 I584 Y588 L590	I582-I586 HydrophobicContact CG2-CD1 4Å; I582-I586 WeakPolarHBondContact O-CG1 3.25Å; I582-I586 PolarHBondContact O-N 3.29Å; I583-I586 PolarHBondContact O-N 3.44Å; I584-I586 PolarHBondContact O-N 2.89Å; I586-Y588 PolarHBondContact O-N 3.33Å; I586-L590 HydrophobicContact CG2-CD1 3.9Å; I586-L590 WeakPolarHBondContact O-CB 3.41Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 2.92Å
587	F	94.2	Very high	93.4	Very high	153 Å²	153	62.4 Å²	62.4	67%	0.671	30%	0.304	S	S	*	.	H	α-helix	trans	-71.1	-28.9	-175.5	-77.8	-75.6	0	0	0	114	I583 I584 P591	I583-F587 HydrophobicContact CG2-CD2 3.82Å; I583-F587 HydrophobicContact CG2-CE2 4Å; I583-F587 WeakPolarHBondContact O-CD2 3.33Å; I583-F587 PolarHBondContact O-N 2.93Å; I583-F587 VanDerWaalsContact O-N 3.11Å; I584-F587 PolarHBondContact O-N 3.38Å; F587-P591 WeakPolarHBondContact O-CD 3.49Å; F587-P591 WeakPolarHBondContact O-CG 3.37Å
588	Y	91.7	Very high	93	Very high	52 Å²	52	66.4 Å²	66.4	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-85.8	-38.1	176.4	-168.8	-102.9	0	0	0	112.4	I584 I586 Q704 F705 A708 Y709	I584-Y588 WeakPolarHBondContact O-CB 2.93Å; I584-Y588 PolarHBondContact O-N 3.15Å; I586-Y588 PolarHBondContact O-N 3.33Å; Y588-Q704 VanDerWaalsContact OH-C 3.3Å; Y588-Q704 VanDerWaalsContact OH-CD 3.26Å; Y588-Q704 WeakPolarHBondContact OH-CG 3.49Å; Y588-Q704 PolarHBondContact OH-O 3.27Å; Y588-Q704 PolarHBondContact OH-OE1 3.33Å; Y588-F705 HydrophobicContact CE1-CD1 4.11Å; Y588-F705 AromaticContact CZ-CD1 3.95Å; Y588-A708 HydrophobicContact CE1-CB 4.09Å; Y588-Y709 AromaticContact CD1-CE2 3.9Å; Y588-Y709 HydrophobicContact CD1-CE2 3.9Å; Y588-Y709 HydrophobicContact CE1-CE2 4.25Å
589	G	91.1	Very high	92.7	Very high	8 Å²	8	67.1 Å²	67.1	8%	0.082	33%	0.33	C	S	.	.	H	α-helix	trans	-71.7	-35.3	-178	0	0	0	0	0	114.2	S585 A592 V593	S585-G589 WeakPolarHBondContact O-CA 3.27Å; S585-G589 PolarHBondContact O-N 3.32Å; G589-A592 PolarHBondContact O-N 3.37Å; G589-V593 WeakPolarHBondContact O-CG2 3.38Å; G589-V593 PolarHBondContact O-N 3.06Å
590	L	91.2	Very high	92.1	Very high	118 Å²	118	60.6 Å²	60.6	62%	0.618	31%	0.306	S	S	*	.	H	α-helix	trans	-62.6	-50.6	-178.5	-75.4	170.2	0	0	0	113.2	I586 A592 V593 Q594	I586-L590 HydrophobicContact CG2-CD1 3.9Å; I586-L590 WeakPolarHBondContact O-CB 3.41Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 2.92Å; L590-A592 VanDerWaalsContact C-N 3.31Å; L590-A592 PolarHBondContact O-N 3.48Å; L590-V593 PolarHBondContact O-N 3.38Å; L590-Q594 PolarHBondContact O-N 3.43Å; L590-Q594 VanDerWaalsContact O-N 3.07Å
591	P	91.6	Very high	91.7	Very high	72 Å²	72	63.5 Å²	63.5	47%	0.468	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-35.1	174.3	-23.2	34.7	0	0	0	113.3	F587 Q594 L595	F587-P591 WeakPolarHBondContact O-CD 3.49Å; F587-P591 WeakPolarHBondContact O-CG 3.37Å; P591-Q594 PolarHBondContact O-N 2.86Å; P591-L595 WeakPolarHBondContact O-CB 3.22Å; P591-L595 PolarHBondContact O-N 3.44Å
592	A	90.4	Very high	91.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-47.4	177.9	0	0	0	0	0	112	G589 L590 L595 I596 M690 F705	G589-A592 PolarHBondContact O-N 3.37Å; L590-A592 VanDerWaalsContact C-N 3.31Å; L590-A592 PolarHBondContact O-N 3.48Å; A592-L595 PolarHBondContact O-N 3.18Å; A592-I596 PolarHBondContact O-N 2.87Å; A592-M690 HydrophobicContact CB-SD 4.34Å; A592-F705 HydrophobicContact CB-CB 4.37Å; A592-F705 HydrophobicContact CB-CD1 3.59Å; A592-F705 HydrophobicContact CB-CD2 3.69Å; A592-F705 HydrophobicContact CB-CE1 3.68Å; A592-F705 HydrophobicContact CB-CE2 3.75Å; A592-F705 HydrophobicContact CB-CG 3.62Å; A592-F705 HydrophobicContact CB-CZ 3.77Å
593	V	89.7	Confident	91	Very high	63 Å²	63	63 Å²	63	38%	0.382	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-39.7	175.6	174.1	0	0	0	0	111.4	G589 L590 I596 M597	G589-V593 WeakPolarHBondContact O-CG2 3.38Å; G589-V593 PolarHBondContact O-N 3.06Å; L590-V593 PolarHBondContact O-N 3.38Å; V593-I596 WeakPolarHBondContact O-CG2 3.41Å; V593-M597 HydrophobicContact CG1-CG 4.35Å; V593-M597 WeakPolarHBondContact O-CB 3.46Å; V593-M597 WeakPolarHBondContact O-CG 3.2Å; V593-M597 PolarHBondContact O-N 2.9Å; V593-M597 VanDerWaalsContact O-N 3.12Å
594	Q	91.3	Very high	90.5	Very high	142 Å²	142	66.4 Å²	66.4	66%	0.664	34%	0.335	S	S	*	.	H	α-helix	trans	-64	-45.3	176.3	-179	179.5	-23.3	0	0	112.2	L590 P591 T598	L590-Q594 PolarHBondContact O-N 3.43Å; L590-Q594 VanDerWaalsContact O-N 3.07Å; P591-Q594 PolarHBondContact O-N 2.86Å; Q594-T598 PolarHBondContact O-N 3.47Å; Q594-T598 VanDerWaalsContact O-N 3.16Å; Q594-T598 PolarHBondContact O-OG1 2.91Å
595	L	90.9	Very high	90.2	Very high	62 Å²	62	70.1 Å²	70.1	33%	0.325	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-48.6	-179.6	-173	64.7	0	0	0	110.8	P591 A592 M597 T598 Y599 N702 F705	P591-L595 WeakPolarHBondContact O-CB 3.22Å; P591-L595 PolarHBondContact O-N 3.44Å; A592-L595 PolarHBondContact O-N 3.18Å; L595-M597 PolarHBondContact O-N 2.92Å; L595-T598 WeakPolarHBondContact O-CB 3.48Å; L595-T598 PolarHBondContact O-N 3.44Å; L595-T598 VanDerWaalsContact O-N 3.11Å; L595-Y599 HydrophobicContact CD1-CD2 4.13Å; L595-Y599 HydrophobicContact CD1-CE2 3.83Å; L595-Y599 HydrophobicContact CD2-CE2 4.41Å; L595-Y599 HydrophobicContact CG-CD2 4Å; L595-Y599 HydrophobicContact CG-CE2 3.96Å; L595-Y599 WeakPolarHBondContact O-CD2 3.29Å; L595-Y599 PolarHBondContact O-N 2.95Å; L595-N702 HydrophobicContact CD2-CB 4.48Å; L595-F705 HydrophobicContact CB-CE2 4.44Å; L595-F705 HydrophobicContact CB-CZ 4.38Å; L595-F705 HydrophobicContact CD2-CE2 3.99Å; L595-F705 HydrophobicContact CD2-CZ 3.72Å
596	I	90.1	Very high	89.9	Confident	1 Å²	1	73 Å²	73	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-67.3	-37.8	-176.6	-160	79.1	0	0	0	112.8	A592 V593 T598 Y599 Q600 C693 M696 C697 N702	A592-I596 PolarHBondContact O-N 2.87Å; V593-I596 WeakPolarHBondContact O-CG2 3.41Å; I596-T598 PolarHBondContact O-N 2.83Å; I596-Y599 PolarHBondContact O-N 3.42Å; I596-Q600 PolarHBondContact O-N 3.14Å; I596-C693 WeakPolarHBondContact CD1-O 2.93Å; I596-C693 VanDerWaalsContact CG1-O 3.28Å; I596-C693 WeakPolarHBondContact CG1-O 3.34Å; I596-M696 HydrophobicContact CD1-CB 4.46Å; I596-M696 HydrophobicContact CG1-CB 3.76Å; I596-M696 HydrophobicContact CG1-CE 4.35Å; I596-M696 HydrophobicContact CG2-CE 3.99Å; I596-M696 HydrophobicContact CG2-SD 4.41Å; I596-C697 HydrophobicContact CD1-CB 3.83Å; I596-N702 WeakPolarHBondContact CD1-ND2 3.38Å
597	M	87.1	Confident	89.7	Confident	95 Å²	95	69 Å²	69	47%	0.468	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-30.7	174	-71.6	-64.3	-64.8	0	0	111.8	V593 L595 K601 M696	V593-M597 HydrophobicContact CG1-CG 4.35Å; V593-M597 WeakPolarHBondContact O-CB 3.46Å; V593-M597 WeakPolarHBondContact O-CG 3.2Å; V593-M597 PolarHBondContact O-N 2.9Å; V593-M597 VanDerWaalsContact O-N 3.12Å; L595-M597 PolarHBondContact O-N 2.92Å; M597-K601 WeakPolarHBondContact O-CB 3.39Å; M597-K601 PolarHBondContact O-N 2.91Å; M597-K601 VanDerWaalsContact O-N 3.14Å; M597-M696 HydrophobicContact SD-CE 3.8Å
598	T	89.8	Confident	89.6	Confident	84 Å²	84	63.6 Å²	63.6	52%	0.515	33%	0.327	S	S	.	.	H	α-helix	trans	-71.5	-44.4	174.5	-52.8	0	0	0	0	111.3	Q594 L595 I596 K601 A602	Q594-T598 PolarHBondContact O-N 3.47Å; Q594-T598 VanDerWaalsContact O-N 3.16Å; Q594-T598 PolarHBondContact O-OG1 2.91Å; L595-T598 WeakPolarHBondContact O-CB 3.48Å; L595-T598 PolarHBondContact O-N 3.44Å; L595-T598 VanDerWaalsContact O-N 3.11Å; I596-T598 PolarHBondContact O-N 2.83Å; T598-K601 PolarHBondContact O-N 3.26Å; T598-A602 PolarHBondContact O-N 3.34Å
599	Y	89.2	Confident	89.6	Confident	61 Å²	61	61.7 Å²	61.7	24%	0.239	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-45.8	173.6	-89.7	-84.5	0	0	0	112.3	L595 I596 K601 A602 V603	L595-Y599 HydrophobicContact CD1-CD2 4.13Å; L595-Y599 HydrophobicContact CD1-CE2 3.83Å; L595-Y599 HydrophobicContact CD2-CE2 4.41Å; L595-Y599 HydrophobicContact CG-CD2 4Å; L595-Y599 HydrophobicContact CG-CE2 3.96Å; L595-Y599 WeakPolarHBondContact O-CD2 3.29Å; L595-Y599 PolarHBondContact O-N 2.95Å; I596-Y599 PolarHBondContact O-N 3.42Å; Y599-K601 VanDerWaalsContact C-N 3.26Å; Y599-K601 PolarHBondContact O-N 3.15Å; Y599-A602 WeakPolarHBondContact O-CB 3.13Å; Y599-A602 PolarHBondContact O-N 2.94Å; Y599-V603 VanDerWaalsContact O-CG2 3.32Å; Y599-V603 WeakPolarHBondContact O-CG2 3.47Å; Y599-V603 PolarHBondContact O-N 3.44Å
600	Q	86.4	Confident	89.7	Confident	13 Å²	13	62.7 Å²	62.7	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-35.7	179.1	-168.9	60	16.1	0	0	112.1	I596 F604 I624 M696	I596-Q600 PolarHBondContact O-N 3.14Å; Q600-F604 PolarHBondContact O-N 3.37Å; Q600-I624 PolarHBondContact NE2-O 3.26Å; Q600-M696 PolarHBondContact OE1-O 3.46Å; Q600-M696 VanDerWaalsContact OE1-O 3.14Å
601	K	88	Confident	89.7	Confident	123 Å²	123	59.5 Å²	59.5	54%	0.535	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-44.4	171.8	-176.5	179.4	171	-173.3	0	111.7	M597 T598 Y599 V603 F604 E605	M597-K601 WeakPolarHBondContact O-CB 3.39Å; M597-K601 PolarHBondContact O-N 2.91Å; M597-K601 VanDerWaalsContact O-N 3.14Å; T598-K601 PolarHBondContact O-N 3.26Å; Y599-K601 VanDerWaalsContact C-N 3.26Å; Y599-K601 PolarHBondContact O-N 3.15Å; K601-V603 PolarHBondContact O-N 3.35Å; K601-F604 PolarHBondContact O-N 2.8Å; K601-E605 WeakPolarHBondContact CE-OE1 3.39Å; K601-E605 VanDerWaalsContact CE-OE2 3.28Å; K601-E605 WeakPolarHBondContact CE-OE2 3.26Å; K601-E605 HydrophobicContact CG-CG 4.32Å; K601-E605 IonicContact NZ-OE1 3.32Å; K601-E605 PolarHBondContact NZ-OE1 2.99Å; K601-E605 WeakPolarHBondContact O-CG 3.38Å; K601-E605 PolarHBondContact O-N 2.81Å
602	A	89.6	Confident	89.7	Confident	34 Å²	34	56.1 Å²	56.1	28%	0.281	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-41.1	178.6	0	0	0	0	0	112.5	T598 Y599 E605 T606 L611	T598-A602 PolarHBondContact O-N 3.34Å; Y599-A602 WeakPolarHBondContact O-CB 3.13Å; Y599-A602 PolarHBondContact O-N 2.94Å; A602-E605 PolarHBondContact O-N 3.4Å; A602-T606 WeakPolarHBondContact O-CB 3.39Å; A602-T606 WeakPolarHBondContact O-CG2 3.42Å; A602-T606 PolarHBondContact O-N 3.47Å; A602-T606 PolarHBondContact O-OG1 3.16Å; A602-L611 HydrophobicContact CB-CD1 4.42Å
603	V	88.6	Confident	89.8	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-46.8	172.9	176.7	0	0	0	0	110.6	Y599 K601 G607 L611 C612	Y599-V603 VanDerWaalsContact O-CG2 3.32Å; Y599-V603 WeakPolarHBondContact O-CG2 3.47Å; Y599-V603 PolarHBondContact O-N 3.44Å; K601-V603 PolarHBondContact O-N 3.35Å; V603-G607 WeakPolarHBondContact O-CA 3.29Å; V603-G607 PolarHBondContact O-N 3.4Å; V603-L611 HydrophobicContact CG2-CB 3.87Å; V603-L611 HydrophobicContact CG2-CD1 3.9Å; V603-C612 WeakPolarHBondContact CG2-SG 3.37Å
604	F	85.1	Confident	90	Very high	158 Å²	158	54.7 Å²	54.7	69%	0.693	27%	0.273	S	S	*	.	H	α-helix	trans	-68.2	-36.1	-179	-174.5	-96	0	0	0	113.6	Q600 K601	Q600-F604 PolarHBondContact O-N 3.37Å; K601-F604 PolarHBondContact O-N 2.8Å
605	E	87.9	Confident	90.1	Very high	132 Å²	132	48 Å²	48	62%	0.617	24%	0.242	S	C	*	.	H	α-helix	trans	-78.8	-38.6	179.8	-73	-178.3	156.3	0	0	112.9	K601 A602	K601-E605 WeakPolarHBondContact CE-OE1 3.39Å; K601-E605 VanDerWaalsContact CE-OE2 3.28Å; K601-E605 WeakPolarHBondContact CE-OE2 3.26Å; K601-E605 HydrophobicContact CG-CG 4.32Å; K601-E605 IonicContact NZ-OE1 3.32Å; K601-E605 PolarHBondContact NZ-OE1 2.99Å; K601-E605 WeakPolarHBondContact O-CG 3.38Å; K601-E605 PolarHBondContact O-N 2.81Å; A602-E605 PolarHBondContact O-N 3.4Å
606	T	90.2	Very high	90.1	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.423	23%	0.228	S	C	.	.	H	α-helix	trans	-85.4	-26.8	178.8	61.1	0	0	0	0	113.3	H209 A602 N608	H209-T606 PolarHBondContact CE1-O 3.42Å; A602-T606 WeakPolarHBondContact O-CB 3.39Å; A602-T606 WeakPolarHBondContact O-CG2 3.42Å; A602-T606 PolarHBondContact O-N 3.47Å; A602-T606 PolarHBondContact O-OG1 3.16Å; T606-N608 PolarHBondContact O-N 2.82Å; T606-N608 WeakPolarHBondContact OG1-CB 3.35Å; T606-N608 PolarHBondContact OG1-N 3.43Å; T606-N608 VanDerWaalsContact OG1-N 3.16Å
607	G	89.4	Confident	90.1	Very high	6 Å²	6	46.2 Å²	46.2	6%	0.062	23%	0.232	C	C	.	.			trans	69.1	11	-167.6	0	0	0	0	0	114.2	G207 L208 H209 V603 E609	G207-G607 WeakPolarHBondContact O-CA 3.48Å; L208-G607 CarbonylContact C-O 3.55Å; L208-G607 WeakPolarHBondContact CA-O 3.47Å; H209-G607 PolarHBondContact N-O 3.02Å; H209-G607 PolarHBondContact ND1-O 2.89Å; V603-G607 WeakPolarHBondContact O-CA 3.29Å; V603-G607 PolarHBondContact O-N 3.4Å; G607-E609 PolarHBondContact O-N 3.45Å
608	N	92.6	Very high	90.3	Very high	39 Å²	39	41.8 Å²	41.8	21%	0.209	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-83.8	101.8	-177.7	-171.7	0.6	0	0	0	111.5	H209 T606 D610 L611	H209-N608 WeakPolarHBondContact NE2-CB 3.26Å; T606-N608 PolarHBondContact O-N 2.82Å; T606-N608 WeakPolarHBondContact OG1-CB 3.35Å; T606-N608 PolarHBondContact OG1-N 3.43Å; T606-N608 VanDerWaalsContact OG1-N 3.16Å; N608-D610 PolarHBondContact O-N 3.32Å; N608-D610 WeakPolarHBondContact OD1-CB 3.01Å; N608-D610 PolarHBondContact OD1-N 3.41Å; N608-L611 HydrophobicContact CB-CD1 4.26Å; N608-L611 HydrophobicContact CB-CG 4.27Å; N608-L611 PolarHBondContact O-N 2.79Å
609	E	91.8	Very high	90.2	Very high	12 Å²	12	38 Å²	38	6%	0.056	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-77.5	-2.1	177.8	-64.4	-71.9	172.5	0	0	112.7	H209 Q210 G607 L611 F616 R905	H209-E609 PolarHBondContact O-N 2.77Å; Q210-E609 HydrophobicContact CB-CB 4.19Å; G607-E609 PolarHBondContact O-N 3.45Å; E609-L611 VanDerWaalsContact C-N 3.25Å; E609-L611 PolarHBondContact O-N 3.43Å; E609-F616 HydrophobicContact CB-CE1 4.17Å; E609-F616 HydrophobicContact CB-CZ 4.01Å; E609-F616 HydrophobicContact CG-CE1 4.47Å; E609-F616 WeakPolarHBondContact OE2-CE1 3.38Å; E609-R905 VanDerWaalsContact C-NH2 3.3Å; E609-R905 PolarHBondContact O-NH2 2.87Å
610	D	92.2	Very high	90	Very high	29 Å²	29	36.9 Å²	36.9	16%	0.155	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-75	-12.8	171.7	-67.4	-9.4	0	0	0	113	Q210 T211 N608 C612 P901 R905	Q210-D610 WeakPolarHBondContact CA-OD1 3.39Å; Q210-D610 WeakPolarHBondContact CB-OD1 3.44Å; T211-D610 VanDerWaalsContact CB-OD2 3.3Å; T211-D610 WeakPolarHBondContact CB-OD2 3.44Å; T211-D610 WeakPolarHBondContact CG2-OD2 3.3Å; T211-D610 PolarHBondContact N-OD1 2.88Å; T211-D610 PolarHBondContact N-OD2 3.39Å; T211-D610 PolarHBondContact OG1-OD1 3.38Å; T211-D610 PolarHBondContact OG1-OD2 2.97Å; N608-D610 PolarHBondContact O-N 3.32Å; N608-D610 WeakPolarHBondContact OD1-CB 3.01Å; N608-D610 PolarHBondContact OD1-N 3.41Å; D610-C612 VanDerWaalsContact C-N 3.33Å; D610-C612 PolarHBondContact O-N 3.44Å; D610-P901 HydrophobicContact CB-CB 3.92Å; D610-P901 HydrophobicContact CB-CG 3.91Å; D610-P901 WeakPolarHBondContact O-CG 3.26Å; D610-R905 IonicContact OD1-CZ 3.44Å; D610-R905 IonicContact OD1-NH1 3.02Å; D610-R905 PolarHBondContact OD1-NH1 3.42Å; D610-R905 IonicContact OD1-NH2 2.81Å; D610-R905 PolarHBondContact OD1-NH2 3.1Å
611	L	91.1	Very high	89.8	Confident	52 Å²	52	37.2 Å²	37.2	27%	0.272	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-72.1	-22.3	179.5	-65.8	173.9	0	0	0	113.9	A602 V603 N608 E609	A602-L611 HydrophobicContact CB-CD1 4.42Å; V603-L611 HydrophobicContact CG2-CB 3.87Å; V603-L611 HydrophobicContact CG2-CD1 3.9Å; N608-L611 HydrophobicContact CB-CD1 4.26Å; N608-L611 HydrophobicContact CB-CG 4.27Å; N608-L611 PolarHBondContact O-N 2.79Å; E609-L611 VanDerWaalsContact C-N 3.25Å; E609-L611 PolarHBondContact O-N 3.43Å
612	C	92.4	Very high	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-128.8	135.7	-176.1	-47.4	0	0	0	0	111.5	V603 D610 Y614 C697	V603-C612 WeakPolarHBondContact CG2-SG 3.37Å; D610-C612 VanDerWaalsContact C-N 3.33Å; D610-C612 PolarHBondContact O-N 3.44Å; C612-Y614 HydrophobicContact CB-CD2 3.86Å; C612-Y614 HydrophobicContact CB-CE2 3.36Å; C612-Y614 PolarHBondContact O-N 2.99Å; C612-C697 HydrophobicContact CB-CB 4.01Å; C612-C697 WeakPolarHBondContact CB-SG 3.19Å; C612-C697 WeakPolarHBondContact SG-CB 3.47Å; C612-C697 CovalentContact SG-SG 2.04Å; C612-C697 PolarHBondContact SG-SG 3.3Å
613	Y	93.1	Very high	88.9	Confident	32 Å²	32	35.2 Å²	35.2	13%	0.125	19%	0.192	C	C	.	.			trans	-93.1	83.2	-174.9	-74.5	-105.1	0	0	0	112.2	P698 T896 W897 V899 P901	Y613-P698 WeakPolarHBondContact CD2-O 3.22Å; Y613-P698 PolarHBondContact N-O 2.81Å; Y613-P698 VanDerWaalsContact O-CG 3.26Å; Y613-P698 WeakPolarHBondContact O-CG 3.4Å; Y613-T896 VanDerWaalsContact CD1-O 3.31Å; Y613-T896 WeakPolarHBondContact CD1-O 3.29Å; Y613-T896 WeakPolarHBondContact CE1-O 3.36Å; Y613-W897 HydrophobicContact CD1-CB 4.31Å; Y613-W897 HydrophobicContact CD2-CB 4.32Å; Y613-W897 HydrophobicContact CE1-CB 4.41Å; Y613-W897 HydrophobicContact CE2-CB 4.42Å; Y613-W897 HydrophobicContact CG-CB 4.26Å; Y613-V899 VanDerWaalsContact CE1-O 3.27Å; Y613-V899 WeakPolarHBondContact CE1-O 3.35Å; Y613-V899 PolarHBondContact OH-O 3.29Å; Y613-P901 HydrophobicContact CE1-CB 4.45Å; Y613-P901 HydrophobicContact CE1-CG 4.16Å; Y613-P901 HydrophobicContact CE2-CG 4.15Å; Y613-P901 VanDerWaalsContact OH-CD 3.26Å; Y613-P901 WeakPolarHBondContact OH-CD 3.41Å
614	Y	93.2	Very high	88.4	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	22%	0.215	C	C	.	.			trans	-103	152.1	178.7	-60.5	-60.4	0	0	0	114.7	C612 F616 T626 A627 M696 C697 P698 T895 N908	C612-Y614 HydrophobicContact CB-CD2 3.86Å; C612-Y614 HydrophobicContact CB-CE2 3.36Å; C612-Y614 PolarHBondContact O-N 2.99Å; Y614-F616 AromaticContact CD2-CE1 3.85Å; Y614-F616 HydrophobicContact CD2-CE1 3.85Å; Y614-F616 HydrophobicContact CD2-CE2 4.47Å; Y614-F616 AromaticContact CD2-CZ 3.76Å; Y614-F616 HydrophobicContact CD2-CZ 3.76Å; Y614-F616 HydrophobicContact CG-CZ 4.39Å; Y614-F616 WeakPolarHBondContact O-CD2 3.41Å; Y614-F616 PolarHBondContact O-N 3.35Å; Y614-T626 HydrophobicContact CD2-CG2 4.17Å; Y614-T626 HydrophobicContact CE2-CG2 4.01Å; Y614-A627 HydrophobicContact CD1-CB 3.49Å; Y614-A627 VanDerWaalsContact CD1-CB 3.49Å; Y614-A627 HydrophobicContact CE1-CB 3.54Å; Y614-A627 HydrophobicContact CG-CB 4.08Å; Y614-M696 VanDerWaalsContact OH-C 3.24Å; Y614-M696 PolarHBondContact OH-O 3.07Å; Y614-C697 WeakPolarHBondContact OH-CA 3.42Å; Y614-P698 HydrophobicContact CD1-CG 4.22Å; Y614-P698 VanDerWaalsContact CE1-CD 3.43Å; Y614-P698 HydrophobicContact CE1-CG 4.14Å; Y614-T895 VanDerWaalsContact C-CG2 3.42Å; Y614-N908 PolarHBondContact O-ND2 3.28Å; Y614-N908 VanDerWaalsContact O-ND2 3.14Å; Y614-N908 PolarHBondContact O-OD1 2.99Å
615	N	94.2	Very high	88.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.011	19%	0.194	C	C	.	.			trans	-73.9	78.4	158.3	-177.7	11.5	0	0	0	109.2	E617 C618 A619 T895 N908 Q909 D918	N615-E617 PolarHBondContact O-N 2.8Å; N615-C618 CarbonylContact O-C 3.57Å; N615-C618 PolarHBondContact O-N 2.98Å; N615-A619 PolarHBondContact O-N 3.05Å; N615-T895 HydrophobicContact CB-CG2 4Å; N615-T895 VanDerWaalsContact N-CG2 3.25Å; N615-N908 WeakPolarHBondContact OD1-CA 3.11Å; N615-N908 VanDerWaalsContact OD1-CB 3.29Å; N615-N908 WeakPolarHBondContact OD1-CB 3.06Å; N615-Q909 PolarHBondContact ND2-O 2.98Å; N615-Q909 PolarHBondContact OD1-N 3.44Å; N615-Q909 PolarHBondContact OD1-O 2.9Å; N615-Q909 VanDerWaalsContact OD1-O 3.05Å; N615-D918 WeakPolarHBondContact ND2-CB 3.23Å; N615-D918 PolarHBondContact ND2-OD2 3.43Å
616	F	91.4	Very high	88.2	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.026	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.7	-177.5	-67.7	-82.9	0	0	0	114.5	A217 E609 Y614 C618 T626 R905 N908	A217-F616 HydrophobicContact CB-CB 3.97Å; A217-F616 WeakPolarHBondContact O-CB 3.31Å; E609-F616 HydrophobicContact CB-CE1 4.17Å; E609-F616 HydrophobicContact CB-CZ 4.01Å; E609-F616 HydrophobicContact CG-CE1 4.47Å; E609-F616 WeakPolarHBondContact OE2-CE1 3.38Å; Y614-F616 AromaticContact CD2-CE1 3.85Å; Y614-F616 HydrophobicContact CD2-CE1 3.85Å; Y614-F616 HydrophobicContact CD2-CE2 4.47Å; Y614-F616 AromaticContact CD2-CZ 3.76Å; Y614-F616 HydrophobicContact CD2-CZ 3.76Å; Y614-F616 HydrophobicContact CG-CZ 4.39Å; Y614-F616 WeakPolarHBondContact O-CD2 3.41Å; Y614-F616 PolarHBondContact O-N 3.35Å; F616-C618 VanDerWaalsContact C-N 3.31Å; F616-T626 HydrophobicContact CE1-CG2 4.47Å; F616-R905 HydrophobicContact CD2-CG 4.08Å; F616-R905 HydrophobicContact CE2-CG 4.42Å; F616-N908 PolarHBondContact N-ND2 2.86Å
617	E	89.3	Confident	88.2	Confident	19 Å²	19	26.9 Å²	26.9	9%	0.089	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.6	170.1	-73.8	-152.8	-167.2	0	0	113.8	K176 L215 A217 N615 N908 Q909 P910	K176-E617 WeakPolarHBondContact CE-OE1 3.29Å; K176-E617 IonicContact NZ-OE1 2.72Å; K176-E617 PolarHBondContact NZ-OE1 3.47Å; K176-E617 IonicContact NZ-OE2 3.33Å; K176-E617 PolarHBondContact NZ-OE2 3.17Å; L215-E617 VanDerWaalsContact CD1-OE1 3.3Å; L215-E617 WeakPolarHBondContact CD1-OE1 3.31Å; L215-E617 WeakPolarHBondContact CD2-OE1 3.32Å; A217-E617 HydrophobicContact CB-CG 4.18Å; N615-E617 PolarHBondContact O-N 2.8Å; E617-N908 HydrophobicContact CB-CB 4.4Å; E617-N908 HydrophobicContact CG-CB 4.15Å; E617-Q909 WeakPolarHBondContact CB-O 3.16Å; E617-P910 WeakPolarHBondContact OE2-CD 3.19Å
618	C	90.3	Very high	88.2	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	3.3	173.8	-170.2	0	0	0	0	113.1	N615 F616 H620 N629 C911 D918	N615-C618 CarbonylContact O-C 3.57Å; N615-C618 PolarHBondContact O-N 2.98Å; F616-C618 VanDerWaalsContact C-N 3.31Å; C618-H620 PolarHBondContact O-CD2 3.5Å; C618-H620 PolarHBondContact O-N 2.89Å; C618-H620 VanDerWaalsContact O-N 3.11Å; C618-N629 PolarHBondContact O-OD1 2.66Å; C618-C911 WeakPolarHBondContact CA-SG 3.32Å; C618-C911 HydrophobicContact CB-CB 4.11Å; C618-C911 WeakPolarHBondContact CB-SG 3.25Å; C618-C911 WeakPolarHBondContact SG-CA 3.37Å; C618-C911 WeakPolarHBondContact SG-CB 3.32Å; C618-C911 CovalentContact SG-SG 2.03Å; C618-C911 PolarHBondContact SG-SG 2.79Å; C618-D918 HydrophobicContact CB-CB 3.98Å
619	A	88.3	Confident	88.2	Confident	3 Å²	3	26.4 Å²	26.4	3%	0.025	15%	0.148	C	C	.	.			trans	-70.1	109	-179.1	0	0	0	0	0	111.3	S219 N615 A627	S219-A619 PolarHBondContact OG-O 3.32Å; N615-A619 PolarHBondContact O-N 3.05Å; A619-A627 HydrophobicContact CB-CB 4.05Å
620	H	86	Confident	88.2	Confident	39 Å²	39	26.2 Å²	26.2	18%	0.181	15%	0.147	C	C	.	.			trans	-102.2	117.6	178.4	-72.5	-66.3	0	0	0	111.6	Y287 C618 T626 F628 N629 C911 D915 F916	Y287-H620 HydrophobicContact CE1-CB 3.92Å; Y287-H620 AromaticContact CE1-CG 3.64Å; Y287-H620 AromaticContact CE1-ND1 3.36Å; Y287-H620 WeakPolarHBondContact CE1-ND1 3.28Å; Y287-H620 AromaticContact CZ-CG 3.98Å; Y287-H620 AromaticContact CZ-ND1 3.59Å; Y287-H620 PolarHBondContact OH-ND1 3.39Å; C618-H620 PolarHBondContact O-CD2 3.5Å; C618-H620 PolarHBondContact O-N 2.89Å; C618-H620 VanDerWaalsContact O-N 3.11Å; H620-T626 CarbonylContact C-O 3.31Å; H620-T626 VanDerWaalsContact C-O 3.28Å; H620-F628 WeakPolarHBondContact O-CB 3.44Å; H620-F628 PolarHBondContact O-N 2.89Å; H620-N629 PolarHBondContact N-OD1 3.34Å; H620-C911 PolarHBondContact NE2-SG 3.42Å; H620-D915 VanDerWaalsContact NE2-C 3.27Å; H620-D915 PolarHBondContact NE2-O 3.27Å; H620-F916 HydrophobicContact CB-CD2 4.05Å; H620-F916 HydrophobicContact CB-CE2 3.63Å; H620-F916 AromaticContact CD2-CD2 3.44Å; H620-F916 VanDerWaalsContact CD2-CD2 3.44Å; H620-F916 WeakPolarHBondContact CD2-CD2 3.42Å; H620-F916 AromaticContact CD2-CE2 3.95Å; H620-F916 AromaticContact CG-CD2 3.77Å; H620-F916 AromaticContact CG-CE2 3.9Å; H620-F916 VanDerWaalsContact NE2-CA 3.3Å; H620-F916 WeakPolarHBondContact NE2-CA 3.29Å
621	S	81.4	Confident	88.3	Confident	20 Å²	20	26.1 Å²	26.1	14%	0.14	15%	0.146	C	C	.	.			trans	-83.8	137.6	-176	59.2	0	0	0	0	113.2	F625 T626	S621-F625 CarbonylContact C-O 3.3Å; S621-F625 WeakPolarHBondContact CA-O 3.3Å; S621-F625 WeakPolarHBondContact CB-O 3.45Å; S621-T626 WeakPolarHBondContact CA-O 3.34Å; S621-T626 PolarHBondContact N-O 3.42Å
622	L	79.6	Confident	88.5	Confident	56 Å²	56	24.9 Å²	24.9	29%	0.293	14%	0.14	S	C	.	.	B	Isolated β-bridge	trans	-136.4	107.1	175.3	-171.9	68.2	0	0	0	110.8	I624 F625 F628	L622-I624 PolarHBondContact O-N 2.96Å; L622-I624 VanDerWaalsContact O-N 3.14Å; L622-F625 PolarHBondContact N-O 3.23Å; L622-F625 WeakPolarHBondContact O-CD2 3.45Å; L622-F625 PolarHBondContact O-N 2.85Å; L622-F628 HydrophobicContact CB-CB 3.66Å; L622-F628 HydrophobicContact CB-CD1 4.15Å; L622-F628 HydrophobicContact CB-CD2 4.12Å; L622-F628 HydrophobicContact CB-CG 3.69Å; L622-F628 HydrophobicContact CD2-CD1 3.64Å; L622-F628 HydrophobicContact CD2-CD2 3.9Å; L622-F628 HydrophobicContact CD2-CE1 3.65Å; L622-F628 HydrophobicContact CD2-CE2 3.89Å; L622-F628 HydrophobicContact CD2-CG 3.78Å; L622-F628 HydrophobicContact CD2-CZ 3.77Å; L622-F628 HydrophobicContact CG-CG 4.38Å
623	G	78	Confident	88.6	Confident	59 Å²	59	24.9 Å²	24.9	61%	0.608	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	-110.1	-179.6	0	0	0	0	0	111
624	I	78.9	Confident	88.8	Confident	101 Å²	101	23.4 Å²	23.4	52%	0.518	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.7	177.9	62.3	170.2	0	0	0	113.7	Q600 L622	Q600-I624 PolarHBondContact NE2-O 3.26Å; L622-I624 PolarHBondContact O-N 2.96Å; L622-I624 VanDerWaalsContact O-N 3.14Å
625	F	84.7	Confident	88.9	Confident	57 Å²	57	25.6 Å²	25.6	25%	0.25	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-92.2	130.4	-174.7	-52.2	-67.6	0	0	0	110.9	S621 L622 F628 I631 M696	S621-F625 CarbonylContact C-O 3.3Å; S621-F625 WeakPolarHBondContact CA-O 3.3Å; S621-F625 WeakPolarHBondContact CB-O 3.45Å; L622-F625 PolarHBondContact N-O 3.23Å; L622-F625 WeakPolarHBondContact O-CD2 3.45Å; L622-F625 PolarHBondContact O-N 2.85Å; F625-F628 HydrophobicContact CB-CB 4.47Å; F625-F628 HydrophobicContact CD2-CD2 4.05Å; F625-I631 HydrophobicContact CB-CD1 3.85Å; F625-I631 HydrophobicContact CD1-CD1 3.72Å; F625-I631 HydrophobicContact CE1-CD1 4.42Å; F625-I631 HydrophobicContact CG-CD1 3.77Å; F625-M696 HydrophobicContact CD1-CE 4.42Å; F625-M696 HydrophobicContact CD1-CG 4.29Å; F625-M696 HydrophobicContact CE1-CE 3.85Å; F625-M696 HydrophobicContact CE1-CG 4.3Å; F625-M696 HydrophobicContact CE1-SD 4.16Å
626	T	84.7	Confident	89.1	Confident	27 Å²	27	25.5 Å²	25.5	17%	0.166	15%	0.145	C	C	.	.	S	Bend	trans	-75.8	-42.3	-178.9	-52	0	0	0	0	112.5	Y614 F616 H620 S621	Y614-T626 HydrophobicContact CD2-CG2 4.17Å; Y614-T626 HydrophobicContact CE2-CG2 4.01Å; F616-T626 HydrophobicContact CE1-CG2 4.47Å; H620-T626 CarbonylContact C-O 3.31Å; H620-T626 VanDerWaalsContact C-O 3.28Å; S621-T626 WeakPolarHBondContact CA-O 3.34Å; S621-T626 PolarHBondContact N-O 3.42Å
627	A	89.1	Confident	89.4	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.144	C	C	.	.			trans	-123.5	77	178.5	0	0	0	0	0	110.9	Y614 A619 N629 N630	Y614-A627 HydrophobicContact CD1-CB 3.49Å; Y614-A627 VanDerWaalsContact CD1-CB 3.49Å; Y614-A627 HydrophobicContact CE1-CB 3.54Å; Y614-A627 HydrophobicContact CG-CB 4.08Å; A619-A627 HydrophobicContact CB-CB 4.05Å; A627-N629 VanDerWaalsContact C-N 3.28Å; A627-N629 PolarHBondContact O-N 2.93Å; A627-N630 HydrophobicContact CB-CB 4.5Å; A627-N630 PolarHBondContact O-N 3.5Å
628	F	90.7	Very high	89.8	Confident	35 Å²	35	25.5 Å²	25.5	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-26.3	-177.8	-178.4	-100.2	0	0	0	113	I291 H620 L622 F625 I631 I632 F916	I291-F628 HydrophobicContact CD1-CD1 4.31Å; I291-F628 HydrophobicContact CD1-CE1 3.71Å; I291-F628 HydrophobicContact CG1-CE1 4.34Å; H620-F628 WeakPolarHBondContact O-CB 3.44Å; H620-F628 PolarHBondContact O-N 2.89Å; L622-F628 HydrophobicContact CB-CB 3.66Å; L622-F628 HydrophobicContact CB-CD1 4.15Å; L622-F628 HydrophobicContact CB-CD2 4.12Å; L622-F628 HydrophobicContact CB-CG 3.69Å; L622-F628 HydrophobicContact CD2-CD1 3.64Å; L622-F628 HydrophobicContact CD2-CD2 3.9Å; L622-F628 HydrophobicContact CD2-CE1 3.65Å; L622-F628 HydrophobicContact CD2-CE2 3.89Å; L622-F628 HydrophobicContact CD2-CG 3.78Å; L622-F628 HydrophobicContact CD2-CZ 3.77Å; L622-F628 HydrophobicContact CG-CG 4.38Å; F625-F628 HydrophobicContact CB-CB 4.47Å; F625-F628 HydrophobicContact CD2-CD2 4.05Å; F628-I631 PolarHBondContact O-N 3.49Å; F628-I632 HydrophobicContact CD1-CB 4.43Å; F628-I632 HydrophobicContact CD1-CG2 4.28Å; F628-I632 HydrophobicContact CE1-CB 3.85Å; F628-I632 HydrophobicContact CE1-CG1 4.29Å; F628-I632 HydrophobicContact CE1-CG2 4.04Å; F628-I632 HydrophobicContact CZ-CB 4.05Å; F628-I632 HydrophobicContact CZ-CD1 4.44Å; F628-I632 HydrophobicContact CZ-CG1 4.41Å; F628-I632 WeakPolarHBondContact O-CG2 3.32Å; F628-I632 PolarHBondContact O-N 3.5Å; F628-F916 HydrophobicContact CD1-CZ 4.4Å
629	N	92	Very high	90.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.1	-48.1	174.6	58.2	-64.8	0	0	0	111.7	C618 H620 A627 I631 I632 S633 F916 Y917 D921	C618-N629 PolarHBondContact O-OD1 2.66Å; H620-N629 PolarHBondContact N-OD1 3.34Å; A627-N629 VanDerWaalsContact C-N 3.28Å; A627-N629 PolarHBondContact O-N 2.93Å; N629-I631 VanDerWaalsContact C-N 3.25Å; N629-I631 PolarHBondContact O-N 2.81Å; N629-I632 WeakPolarHBondContact O-CG2 3.13Å; N629-I632 PolarHBondContact O-N 2.91Å; N629-S633 WeakPolarHBondContact O-CB 3.33Å; N629-S633 PolarHBondContact O-N 3.35Å; N629-S633 PolarHBondContact O-OG 2.98Å; N629-F916 HydrophobicContact CB-CD1 4.08Å; N629-F916 HydrophobicContact CB-CE1 3.67Å; N629-F916 HydrophobicContact CB-CE2 4.36Å; N629-F916 HydrophobicContact CB-CZ 3.83Å; N629-F916 WeakPolarHBondContact CB-O 3.28Å; N629-Y917 HydrophobicContact CB-CD1 4.28Å; N629-D921 PolarHBondContact ND2-OD2 2.83Å
630	N	92.5	Very high	90.6	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-26.8	175.2	-63.9	61.9	0	0	0	114.1	A627 S633 N634 H695 D921	A627-N630 HydrophobicContact CB-CB 4.5Å; A627-N630 PolarHBondContact O-N 3.5Å; N630-S633 PolarHBondContact O-OG 3.37Å; N630-N634 PolarHBondContact O-ND2 3.23Å; N630-H695 HydrophobicContact CB-CB 3.93Å; N630-D921 WeakPolarHBondContact CA-OD1 3.47Å; N630-D921 PolarHBondContact N-OD1 2.71Å
631	I	94	Very high	91.2	Very high	27 Å²	27	24.5 Å²	24.5	14%	0.138	14%	0.141	C	C	.	.	H	α-helix	trans	-79.7	-47.7	176.9	-57.4	169.7	0	0	0	109.9	F625 F628 N629 N634 A692 M696	F625-I631 HydrophobicContact CB-CD1 3.85Å; F625-I631 HydrophobicContact CD1-CD1 3.72Å; F625-I631 HydrophobicContact CE1-CD1 4.42Å; F625-I631 HydrophobicContact CG-CD1 3.77Å; F628-I631 PolarHBondContact O-N 3.49Å; N629-I631 VanDerWaalsContact C-N 3.25Å; N629-I631 PolarHBondContact O-N 2.81Å; I631-N634 PolarHBondContact O-N 2.89Å; I631-A692 HydrophobicContact CG2-CB 4.2Å; I631-M696 HydrophobicContact CD1-CB 4.39Å; I631-M696 HydrophobicContact CD1-CG 3.54Å; I631-M696 HydrophobicContact CG1-CG 3.98Å
632	I	94.1	Very high	92	Very high	26 Å²	26	27.4 Å²	27.4	13%	0.133	16%	0.155	C	C	.	.	H	α-helix	trans	-75	-25.2	-175.4	-166.3	60.2	0	0	0	113	I291 F628 N629 N634 I635 F916 Y917	I291-I632 HydrophobicContact CG2-CG1 4.37Å; F628-I632 HydrophobicContact CD1-CB 4.43Å; F628-I632 HydrophobicContact CD1-CG2 4.28Å; F628-I632 HydrophobicContact CE1-CB 3.85Å; F628-I632 HydrophobicContact CE1-CG1 4.29Å; F628-I632 HydrophobicContact CE1-CG2 4.04Å; F628-I632 HydrophobicContact CZ-CB 4.05Å; F628-I632 HydrophobicContact CZ-CD1 4.44Å; F628-I632 HydrophobicContact CZ-CG1 4.41Å; F628-I632 WeakPolarHBondContact O-CG2 3.32Å; F628-I632 PolarHBondContact O-N 3.5Å; N629-I632 WeakPolarHBondContact O-CG2 3.13Å; N629-I632 PolarHBondContact O-N 2.91Å; I632-N634 PolarHBondContact O-N 3.05Å; I632-I635 HydrophobicContact CD1-CB 4.25Å; I632-I635 HydrophobicContact CD1-CG2 4.47Å; I632-I635 VanDerWaalsContact O-CB 3.31Å; I632-I635 WeakPolarHBondContact O-CB 3.28Å; I632-I635 WeakPolarHBondContact O-CG2 3.39Å; I632-I635 PolarHBondContact O-N 3.26Å; I632-I635 VanDerWaalsContact O-N 3.09Å; I632-F916 HydrophobicContact CG2-CE1 4.17Å; I632-Y917 HydrophobicContact CG2-CE1 3.98Å
633	S	95.5	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.2	176.3	53.9	0	0	0	0	112.9	N629 N630 I635 D921 H924 F925	N629-S633 WeakPolarHBondContact O-CB 3.33Å; N629-S633 PolarHBondContact O-N 3.35Å; N629-S633 PolarHBondContact O-OG 2.98Å; N630-S633 PolarHBondContact O-OG 3.37Å; S633-I635 VanDerWaalsContact C-N 3.26Å; S633-I635 PolarHBondContact O-N 3.09Å; S633-D921 WeakPolarHBondContact CB-OD1 3.25Å; S633-D921 PolarHBondContact OG-OD1 2.87Å; S633-H924 PolarHBondContact OG-CD2 3.23Å; S633-F925 VanDerWaalsContact CA-CE1 3.48Å; S633-F925 WeakPolarHBondContact O-CD1 3.34Å; S633-F925 WeakPolarHBondContact O-CE1 3.16Å
634	N	96.4	Very high	93.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8	176.7	-80	-71.4	0	0	0	115.4	N630 I631 I632 G636 Y637 S691 A692 H924	N630-N634 PolarHBondContact O-ND2 3.23Å; I631-N634 PolarHBondContact O-N 2.89Å; I632-N634 PolarHBondContact O-N 3.05Å; N634-G636 PolarHBondContact O-N 3.25Å; N634-G636 VanDerWaalsContact O-N 3.11Å; N634-Y637 HydrophobicContact CB-CD2 4.45Å; N634-Y637 PolarHBondContact O-N 2.87Å; N634-Y637 VanDerWaalsContact OD1-CE2 3.24Å; N634-Y637 WeakPolarHBondContact OD1-CE2 2.78Å; N634-S691 VanDerWaalsContact OD1-CB 3.27Å; N634-S691 WeakPolarHBondContact OD1-CB 3.26Å; N634-S691 PolarHBondContact OD1-OG 3.27Å; N634-A692 HydrophobicContact CB-CB 3.98Å; N634-H924 PolarHBondContact ND2-CD2 3.14Å; N634-H924 PolarHBondContact OD1-CE1 3.31Å; N634-H924 PolarHBondContact OD1-ND1 3.45Å; N634-H924 PolarHBondContact OD1-NE2 2.9Å
635	I	96.3	Very high	94.8	Very high	47 Å²	47	18.9 Å²	18.9	24%	0.241	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-26.4	179.1	-162.8	58.4	0	0	0	113.2	Y298 I632 S633 Y637 V638 M639	Y298-I635 HydrophobicContact CD2-CG2 4.18Å; Y298-I635 HydrophobicContact CE2-CG2 4.22Å; I632-I635 HydrophobicContact CD1-CB 4.25Å; I632-I635 HydrophobicContact CD1-CG2 4.47Å; I632-I635 VanDerWaalsContact O-CB 3.31Å; I632-I635 WeakPolarHBondContact O-CB 3.28Å; I632-I635 WeakPolarHBondContact O-CG2 3.39Å; I632-I635 PolarHBondContact O-N 3.26Å; I632-I635 VanDerWaalsContact O-N 3.09Å; S633-I635 VanDerWaalsContact C-N 3.26Å; S633-I635 PolarHBondContact O-N 3.09Å; I635-Y637 PolarHBondContact O-N 3.33Å; I635-V638 HydrophobicContact CD1-CB 4.47Å; I635-V638 PolarHBondContact O-N 3.47Å; I635-M639 HydrophobicContact CD1-CG 4.48Å; I635-M639 HydrophobicContact CG1-CG 4.1Å; I635-M639 HydrophobicContact CG1-SD 3.94Å; I635-M639 WeakPolarHBondContact O-CB 3.45Å; I635-M639 WeakPolarHBondContact O-CG 3.47Å; I635-M639 PolarHBondContact O-N 2.96Å
636	G	97.3	Very high	95.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.2	-44.1	-179.8	0	0	0	0	0	113.5	Y298 N634 M639 L640	Y298-G636 VanDerWaalsContact CE1-CA 3.49Å; N634-G636 PolarHBondContact O-N 3.25Å; N634-G636 VanDerWaalsContact O-N 3.11Å; G636-M639 PolarHBondContact O-N 2.8Å; G636-L640 VanDerWaalsContact O-CB 3.25Å; G636-L640 WeakPolarHBondContact O-CB 3.37Å; G636-L640 VanDerWaalsContact O-CG 3.32Å; G636-L640 WeakPolarHBondContact O-CG 3.28Å; G636-L640 PolarHBondContact O-N 2.66Å
637	Y	98.2	Very high	95.9	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177	-59.8	-84.4	0	0	0	111.4	N634 I635 G641 L684 E687 H924 S927	N634-Y637 HydrophobicContact CB-CD2 4.45Å; N634-Y637 PolarHBondContact O-N 2.87Å; N634-Y637 VanDerWaalsContact OD1-CE2 3.24Å; N634-Y637 WeakPolarHBondContact OD1-CE2 2.78Å; I635-Y637 PolarHBondContact O-N 3.33Å; Y637-G641 WeakPolarHBondContact O-CA 3.27Å; Y637-G641 PolarHBondContact O-N 3.37Å; Y637-L684 CarbonylContact C-O 3.59Å; Y637-L684 WeakPolarHBondContact CB-O 3.39Å; Y637-L684 HydrophobicContact CD1-CD1 3.79Å; Y637-E687 HydrophobicContact CD1-CG 4.17Å; Y637-E687 HydrophobicContact CE1-CG 4.33Å; Y637-H924 HydrophobicContact CE2-CB 3.97Å; Y637-H924 AromaticContact CE2-CE1 2.79Å; Y637-H924 WeakPolarHBondContact CE2-CE1 3.36Å; Y637-H924 AromaticContact CE2-ND1 3.51Å; Y637-H924 AromaticContact CZ-CE1 2.91Å; Y637-H924 AromaticContact CZ-ND1 3.85Å; Y637-H924 PolarHBondContact OH-CE1 3.49Å; Y637-H924 PolarHBondContact OH-ND1 2.97Å; Y637-S927 PolarHBondContact OH-OG 3.43Å
638	V	98	Very high	96.3	Very high	21 Å²	21	19.6 Å²	19.6	13%	0.127	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-51.9	177.8	-174.7	0	0	0	0	110.6	I635 G641 L642 T685 L689	I635-V638 HydrophobicContact CD1-CB 4.47Å; I635-V638 PolarHBondContact O-N 3.47Å; V638-G641 PolarHBondContact O-N 2.64Å; V638-L642 HydrophobicContact CG1-CD1 4.18Å; V638-L642 WeakPolarHBondContact O-CB 3.24Å; V638-L642 VanDerWaalsContact O-CG 3.28Å; V638-L642 WeakPolarHBondContact O-CG 2.79Å; V638-L642 PolarHBondContact O-N 2.9Å; V638-T685 HydrophobicContact CG1-CG2 4.05Å; V638-L689 HydrophobicContact CG2-CD2 4.12Å; V638-L689 HydrophobicContact CG2-CG 4.08Å
639	M	98	Very high	96.6	Very high	24 Å²	24	19.3 Å²	19.3	12%	0.118	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-43.6	-178.2	-73.4	-175.7	70.3	0	0	112.4	V295 Y298 L299 Y302 I635 G636 L643	V295-M639 HydrophobicContact CG1-SD 4.44Å; Y298-M639 HydrophobicContact CD2-SD 4.47Å; Y298-M639 HydrophobicContact CG-SD 4.35Å; L299-M639 HydrophobicContact CD2-CE 3.79Å; L299-M639 HydrophobicContact CG-CE 3.96Å; Y302-M639 HydrophobicContact CE2-CB 4.26Å; Y302-M639 HydrophobicContact CE2-CE 4.26Å; Y302-M639 WeakPolarHBondContact CE2-O 3.21Å; Y302-M639 PolarHBondContact OH-O 3.5Å; I635-M639 HydrophobicContact CD1-CG 4.48Å; I635-M639 HydrophobicContact CG1-CG 4.1Å; I635-M639 HydrophobicContact CG1-SD 3.94Å; I635-M639 WeakPolarHBondContact O-CB 3.45Å; I635-M639 WeakPolarHBondContact O-CG 3.47Å; I635-M639 PolarHBondContact O-N 2.96Å; G636-M639 PolarHBondContact O-N 2.8Å; M639-L643 WeakPolarHBondContact O-CB 3.44Å; M639-L643 PolarHBondContact O-N 3.46Å
640	L	98.3	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.8	-30.5	179.8	-65.9	176.5	0	0	0	112.7	Y298 F301 G636 L643 F644 I929 F932	Y298-L640 HydrophobicContact CD1-CD1 3.88Å; Y298-L640 HydrophobicContact CD1-CD2 4.18Å; Y298-L640 HydrophobicContact CD1-CG 3.83Å; Y298-L640 HydrophobicContact CE1-CD1 3.67Å; Y298-L640 HydrophobicContact CE1-CG 4.11Å; F301-L640 HydrophobicContact CB-CD2 3.92Å; F301-L640 HydrophobicContact CD1-CD2 3.8Å; F301-L640 HydrophobicContact CD2-CD2 4.44Å; F301-L640 HydrophobicContact CE1-CD2 4.41Å; F301-L640 HydrophobicContact CG-CD2 3.82Å; G636-L640 VanDerWaalsContact O-CB 3.25Å; G636-L640 WeakPolarHBondContact O-CB 3.37Å; G636-L640 VanDerWaalsContact O-CG 3.32Å; G636-L640 WeakPolarHBondContact O-CG 3.28Å; G636-L640 PolarHBondContact O-N 2.66Å; L640-L643 HydrophobicContact CD2-CD2 4.16Å; L640-L643 PolarHBondContact O-N 3.11Å; L640-F644 WeakPolarHBondContact O-CB 3.36Å; L640-F644 PolarHBondContact O-N 3.11Å; L640-I929 HydrophobicContact CD1-CG1 3.98Å; L640-F932 HydrophobicContact CB-CB 4.03Å; L640-F932 HydrophobicContact CB-CD2 3.92Å; L640-F932 HydrophobicContact CB-CG 4.15Å; L640-F932 HydrophobicContact CD1-CB 3.93Å; L640-F932 HydrophobicContact CD1-CG 4.38Å; L640-F932 HydrophobicContact CD2-CD1 4.39Å; L640-F932 HydrophobicContact CD2-CD2 4.2Å; L640-F932 HydrophobicContact CD2-CG 4.12Å; L640-F932 HydrophobicContact CG-CB 4.4Å; L640-F932 HydrophobicContact CG-CG 4.46Å
641	G	98.2	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-49.2	170.3	0	0	0	0	0	112.2	Y637 V638 L643 F644 L645 T685	Y637-G641 WeakPolarHBondContact O-CA 3.27Å; Y637-G641 PolarHBondContact O-N 3.37Å; V638-G641 PolarHBondContact O-N 2.64Å; G641-L643 PolarHBondContact O-N 3.18Å; G641-F644 PolarHBondContact O-N 2.92Å; G641-L645 WeakPolarHBondContact O-CG 3.46Å; G641-L645 PolarHBondContact O-N 2.83Å; G641-T685 WeakPolarHBondContact CA-OG1 2.95Å
642	L	98.2	Very high	96.8	Very high	81 Å²	81	22.5 Å²	22.5	42%	0.424	12%	0.119	S	C	.	.	H	α-helix	trans	-61.6	-40.9	173.8	-69.1	173.5	0	0	0	112.2	V638 F644 L645 V646 T685	V638-L642 HydrophobicContact CG1-CD1 4.18Å; V638-L642 WeakPolarHBondContact O-CB 3.24Å; V638-L642 VanDerWaalsContact O-CG 3.28Å; V638-L642 WeakPolarHBondContact O-CG 2.79Å; V638-L642 PolarHBondContact O-N 2.9Å; L642-F644 VanDerWaalsContact C-N 3.33Å; L642-F644 PolarHBondContact O-N 3.12Å; L642-L645 HydrophobicContact CD2-CD1 4.32Å; L642-L645 PolarHBondContact O-N 3.22Å; L642-V646 WeakPolarHBondContact O-CG2 3.3Å; L642-V646 PolarHBondContact O-N 2.97Å; L642-T685 HydrophobicContact CD2-CG2 4.12Å; L642-T685 HydrophobicContact CG-CG2 4.08Å; L642-T685 PolarHBondContact N-OG1 3.32Å
643	L	98.1	Very high	96.7	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-42.2	174.3	-177.9	58.6	0	0	0	111.6	F301 Y302 T305 M639 L640 G641 V646 L647 F932	F301-L643 HydrophobicContact CB-CD2 3.85Å; Y302-L643 HydrophobicContact CD1-CD1 3.89Å; Y302-L643 HydrophobicContact CD2-CB 4.45Å; Y302-L643 HydrophobicContact CD2-CD1 4.34Å; Y302-L643 HydrophobicContact CD2-CD2 4.1Å; Y302-L643 HydrophobicContact CE1-CB 4.26Å; Y302-L643 HydrophobicContact CE1-CD1 4.03Å; Y302-L643 HydrophobicContact CE2-CB 3.85Å; Y302-L643 HydrophobicContact CE2-CD1 4.46Å; Y302-L643 HydrophobicContact CE2-CD2 4.26Å; Y302-L643 HydrophobicContact CE2-CG 4.42Å; Y302-L643 HydrophobicContact CG-CD1 4.06Å; Y302-L643 PolarHBondContact OH-N 3.48Å; T305-L643 HydrophobicContact CG2-CD1 4.04Å; M639-L643 WeakPolarHBondContact O-CB 3.44Å; M639-L643 PolarHBondContact O-N 3.46Å; L640-L643 HydrophobicContact CD2-CD2 4.16Å; L640-L643 PolarHBondContact O-N 3.11Å; G641-L643 PolarHBondContact O-N 3.18Å; L643-V646 PolarHBondContact O-N 2.95Å; L643-L647 HydrophobicContact CG-CD1 4.21Å; L643-L647 WeakPolarHBondContact O-CB 3.46Å; L643-L647 WeakPolarHBondContact O-CG 3.29Å; L643-L647 PolarHBondContact O-N 2.78Å; L643-F932 HydrophobicContact CB-CE2 4.28Å; L643-F932 HydrophobicContact CD2-CE2 3.92Å; L643-F932 HydrophobicContact CD2-CZ 3.77Å; L643-F932 HydrophobicContact CG-CE2 3.99Å; L643-F932 HydrophobicContact CG-CZ 4.15Å
644	F	98.3	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-35.8	177.3	-173.1	-103.5	0	0	0	112.6	L640 G641 L642 L647 T648 F677 M680 F932 F935 M936 M939	L640-F644 WeakPolarHBondContact O-CB 3.36Å; L640-F644 PolarHBondContact O-N 3.11Å; G641-F644 PolarHBondContact O-N 2.92Å; L642-F644 VanDerWaalsContact C-N 3.33Å; L642-F644 PolarHBondContact O-N 3.12Å; F644-L647 PolarHBondContact O-N 3.11Å; F644-T648 VanDerWaalsContact O-CB 3.3Å; F644-T648 WeakPolarHBondContact O-CB 3.3Å; F644-T648 PolarHBondContact O-N 3.35Å; F644-T648 PolarHBondContact O-OG1 3.16Å; F644-F677 HydrophobicContact CE1-CB 4.29Å; F644-F677 HydrophobicContact CE1-CD1 4.25Å; F644-F677 WeakPolarHBondContact CE1-O 3.2Å; F644-F677 HydrophobicContact CZ-CB 4.46Å; F644-F677 AromaticContact CZ-CD1 3.81Å; F644-F677 HydrophobicContact CZ-CD1 3.81Å; F644-F677 HydrophobicContact CZ-CE1 4.42Å; F644-F677 HydrophobicContact CZ-CG 4.45Å; F644-M680 HydrophobicContact CE1-CB 4.42Å; F644-F932 HydrophobicContact CB-CD2 4.25Å; F644-F932 HydrophobicContact CB-CE2 4.19Å; F644-F935 AromaticContact CD1-CD2 3.77Å; F644-F935 HydrophobicContact CD1-CD2 3.77Å; F644-F935 HydrophobicContact CD1-CE2 4.45Å; F644-F935 HydrophobicContact CD2-CB 3.89Å; F644-F935 HydrophobicContact CD2-CD2 4.36Å; F644-F935 HydrophobicContact CE1-CB 4.25Å; F644-F935 AromaticContact CE1-CD2 3.87Å; F644-F935 HydrophobicContact CE1-CD2 3.87Å; F644-F935 HydrophobicContact CE1-CG 4.38Å; F644-F935 HydrophobicContact CE2-CB 3.55Å; F644-F935 HydrophobicContact CE2-CD2 4.47Å; F644-F935 HydrophobicContact CE2-CG 4.48Å; F644-F935 HydrophobicContact CG-CB 4.39Å; F644-F935 HydrophobicContact CG-CD2 4.02Å; F644-F935 HydrophobicContact CZ-CB 3.74Å; F644-F935 HydrophobicContact CZ-CD2 4.23Å; F644-F935 HydrophobicContact CZ-CG 4.32Å; F644-M936 HydrophobicContact CD2-SD 4.11Å; F644-M936 HydrophobicContact CE2-SD 4.19Å; F644-M939 HydrophobicContact CD2-CE 4.4Å; F644-M939 HydrophobicContact CE1-CE 4.47Å; F644-M939 HydrophobicContact CE2-CE 3.47Å; F644-M939 VanDerWaalsContact CE2-CE 3.47Å; F644-M939 HydrophobicContact CE2-SD 4.5Å; F644-M939 HydrophobicContact CZ-CE 3.53Å
645	L	98	Very high	96.1	Very high	31 Å²	31	29.9 Å²	29.9	16%	0.162	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-44.9	171.2	-73.4	171.7	0	0	0	111.6	F578 G641 L642 T648 A649 Y678	F578-L645 HydrophobicContact CE2-CD2 4.45Å; G641-L645 WeakPolarHBondContact O-CG 3.46Å; G641-L645 PolarHBondContact O-N 2.83Å; L642-L645 HydrophobicContact CD2-CD1 4.32Å; L642-L645 PolarHBondContact O-N 3.22Å; L645-T648 PolarHBondContact O-N 2.81Å; L645-A649 WeakPolarHBondContact O-CB 3.3Å; L645-A649 PolarHBondContact O-N 3.06Å; L645-Y678 HydrophobicContact CD2-CD1 4.11Å; L645-Y678 WeakPolarHBondContact CD2-O 3.32Å
646	V	97.1	Very high	95.8	Very high	91 Å²	91	33.3 Å²	33.3	55%	0.552	17%	0.166	S	C	*	.	H	α-helix	trans	-63.2	-41.7	175.9	172.3	0	0	0	0	111.7	L642 L643 A649 R650	L642-V646 WeakPolarHBondContact O-CG2 3.3Å; L642-V646 PolarHBondContact O-N 2.97Å; L643-V646 PolarHBondContact O-N 2.95Å; V646-A649 PolarHBondContact O-N 2.99Å; V646-R650 WeakPolarHBondContact O-CB 3.13Å; V646-R650 PolarHBondContact O-N 3.41Å
647	L	96.4	Very high	95.4	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-41.8	176	-77.2	170	0	0	0	112.4	T305 I309 L643 F644 R650 R651 F932 M936	T305-L647 HydrophobicContact CG2-CD1 4.22Å; T305-L647 HydrophobicContact CG2-CD2 3.66Å; T305-L647 HydrophobicContact CG2-CG 4.16Å; I309-L647 HydrophobicContact CD1-CD2 4.43Å; L643-L647 HydrophobicContact CG-CD1 4.21Å; L643-L647 WeakPolarHBondContact O-CB 3.46Å; L643-L647 WeakPolarHBondContact O-CG 3.29Å; L643-L647 PolarHBondContact O-N 2.78Å; F644-L647 PolarHBondContact O-N 3.11Å; L647-R650 PolarHBondContact O-N 3.41Å; L647-R651 WeakPolarHBondContact O-CB 3.37Å; L647-R651 PolarHBondContact O-N 3.31Å; L647-F932 HydrophobicContact CD1-CE2 4.18Å; L647-F932 HydrophobicContact CD1-CZ 3.93Å; L647-M936 HydrophobicContact CD1-CE 3.9Å; L647-M936 HydrophobicContact CD1-SD 3.8Å
648	T	96.8	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-48	174.2	-61.4	0	0	0	0	110.9	F644 L645 R650 R651 D652 Y674 F677 Y678 M939	F644-T648 VanDerWaalsContact O-CB 3.3Å; F644-T648 WeakPolarHBondContact O-CB 3.3Å; F644-T648 PolarHBondContact O-N 3.35Å; F644-T648 PolarHBondContact O-OG1 3.16Å; L645-T648 PolarHBondContact O-N 2.81Å; T648-R650 PolarHBondContact O-N 3.11Å; T648-R651 PolarHBondContact O-N 3.41Å; T648-R651 VanDerWaalsContact O-N 3.14Å; T648-D652 WeakPolarHBondContact O-CB 3.13Å; T648-D652 PolarHBondContact O-N 3.21Å; T648-Y674 HydrophobicContact CG2-CD1 4.07Å; T648-F677 HydrophobicContact CG2-CB 3.61Å; T648-Y678 HydrophobicContact CG2-CD1 3.71Å; T648-Y678 HydrophobicContact CG2-CD2 4.19Å; T648-Y678 HydrophobicContact CG2-CE1 3.74Å; T648-Y678 HydrophobicContact CG2-CE2 4.22Å; T648-Y678 HydrophobicContact CG2-CG 3.95Å; T648-M939 WeakPolarHBondContact OG1-CE 3.42Å
649	A	96.4	Very high	94.2	Very high	30 Å²	30	46.5 Å²	46.5	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-44.7	177.4	0	0	0	0	0	112.3	L645 V646 R651 D652 I653 Y678	L645-A649 WeakPolarHBondContact O-CB 3.3Å; L645-A649 PolarHBondContact O-N 3.06Å; V646-A649 PolarHBondContact O-N 2.99Å; A649-R651 PolarHBondContact O-N 3.4Å; A649-D652 PolarHBondContact O-N 3.19Å; A649-I653 WeakPolarHBondContact O-CD1 3.44Å; A649-I653 VanDerWaalsContact O-CG1 3.26Å; A649-I653 WeakPolarHBondContact O-CG1 3.49Å; A649-I653 PolarHBondContact O-N 3.2Å; A649-Y678 WeakPolarHBondContact CA-OH 3.22Å; A649-Y678 HydrophobicContact CB-CE1 4.09Å
650	R	95.4	Very high	93.6	Very high	62 Å²	62	51.7 Å²	51.7	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-50.7	172.8	174	177.2	170.9	-106.5	-2.7	110.9	V646 L647 T648 D652 I653 L654	V646-R650 WeakPolarHBondContact O-CB 3.13Å; V646-R650 PolarHBondContact O-N 3.41Å; L647-R650 PolarHBondContact O-N 3.41Å; T648-R650 PolarHBondContact O-N 3.11Å; R650-D652 PolarHBondContact O-N 3.16Å; R650-I653 PolarHBondContact O-N 2.9Å; R650-L654 HydrophobicContact CG-CD1 3.61Å; R650-L654 VanDerWaalsContact O-CD1 3.3Å; R650-L654 WeakPolarHBondContact O-CD1 3.32Å; R650-L654 PolarHBondContact O-N 3.3Å
651	R	93.4	Very high	93.1	Very high	37 Å²	37	59 Å²	59	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-36.7	-176.2	-160.6	178.7	154.3	118.2	-1.7	112.2	L647 T648 A649 L654 H655 Y674 M939 D943	L647-R651 WeakPolarHBondContact O-CB 3.37Å; L647-R651 PolarHBondContact O-N 3.31Å; T648-R651 PolarHBondContact O-N 3.41Å; T648-R651 VanDerWaalsContact O-N 3.14Å; A649-R651 PolarHBondContact O-N 3.4Å; R651-L654 PolarHBondContact O-N 3.16Å; R651-H655 WeakPolarHBondContact O-CB 3.35Å; R651-H655 PolarHBondContact O-N 3.17Å; R651-Y674 HydrophobicContact CB-CE1 3.92Å; R651-Y674 HydrophobicContact CG-CE1 3.81Å; R651-M939 VanDerWaalsContact CD-SD 3.51Å; R651-M939 VanDerWaalsContact CZ-O 3.3Å; R651-M939 PolarHBondContact NH1-O 3.43Å; R651-M939 PolarHBondContact NH2-O 3.36Å; R651-D943 IonicContact CZ-OD1 3.74Å; R651-D943 IonicContact CZ-OD2 3.58Å; R651-D943 IonicContact NH1-OD1 3.65Å; R651-D943 PolarHBondContact NH1-OD1 2.91Å; R651-D943 IonicContact NH1-OD2 3.43Å; R651-D943 PolarHBondContact NH1-OD2 3.12Å; R651-D943 IonicContact NH2-OD1 2.81Å; R651-D943 PolarHBondContact NH2-OD1 3Å; R651-D943 IonicContact NH2-OD2 3.6Å
652	D	94.1	Very high	92.3	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-50.1	172	-173.7	8.9	0	0	0	112	T648 A649 R650 L654 H655 R656 Y674 Y678	T648-D652 WeakPolarHBondContact O-CB 3.13Å; T648-D652 PolarHBondContact O-N 3.21Å; A649-D652 PolarHBondContact O-N 3.19Å; R650-D652 PolarHBondContact O-N 3.16Å; D652-L654 VanDerWaalsContact C-N 3.33Å; D652-L654 PolarHBondContact O-N 3.4Å; D652-H655 WeakPolarHBondContact O-CB 3.41Å; D652-H655 PolarHBondContact O-N 2.87Å; D652-H655 VanDerWaalsContact O-N 3.1Å; D652-R656 WeakPolarHBondContact O-CG 3.46Å; D652-R656 PolarHBondContact O-N 3.16Å; D652-R656 IonicContact OD1-CZ 3.1Å; D652-R656 IonicContact OD1-NE 2.73Å; D652-R656 PolarHBondContact OD1-NE 3.37Å; D652-R656 IonicContact OD1-NH2 3.51Å; D652-R656 PolarHBondContact OD1-NH2 2.81Å; D652-R656 IonicContact OD2-CZ 3.78Å; D652-R656 IonicContact OD2-NE 3.4Å; D652-R656 IonicContact OD2-NH2 3.51Å; D652-R656 PolarHBondContact OD2-NH2 3.47Å; D652-Y674 HydrophobicContact CB-CD1 4.36Å; D652-Y674 HydrophobicContact CB-CD2 3.65Å; D652-Y674 HydrophobicContact CB-CE2 4.19Å; D652-Y674 HydrophobicContact CB-CG 3.77Å; D652-Y678 WeakPolarHBondContact CB-OH 3.35Å; D652-Y678 WeakPolarHBondContact OD2-CE2 3.47Å; D652-Y678 PolarHBondContact OD2-OH 2.93Å
653	I	92.4	Very high	91.4	Very high	86 Å²	86	62.7 Å²	62.7	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-43.8	176.8	-67.9	164.2	0	0	0	111.5	A649 R650 R656 R657	A649-I653 WeakPolarHBondContact O-CD1 3.44Å; A649-I653 VanDerWaalsContact O-CG1 3.26Å; A649-I653 WeakPolarHBondContact O-CG1 3.49Å; A649-I653 PolarHBondContact O-N 3.2Å; R650-I653 PolarHBondContact O-N 2.9Å; I653-R656 PolarHBondContact O-N 3.5Å; I653-R657 WeakPolarHBondContact O-CG 3.31Å; I653-R657 PolarHBondContact O-N 2.92Å
654	L	90.2	Very high	90.4	Very high	57 Å²	57	68 Å²	68	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-39.4	175.5	-91.2	129.6	0	0	0	112.5	R650 R651 D652 T658	R650-L654 HydrophobicContact CG-CD1 3.61Å; R650-L654 VanDerWaalsContact O-CD1 3.3Å; R650-L654 WeakPolarHBondContact O-CD1 3.32Å; R650-L654 PolarHBondContact O-N 3.3Å; R651-L654 PolarHBondContact O-N 3.16Å; D652-L654 VanDerWaalsContact C-N 3.33Å; D652-L654 PolarHBondContact O-N 3.4Å; L654-T658 PolarHBondContact O-N 3.45Å; L654-T658 VanDerWaalsContact O-N 3.08Å; L654-T658 PolarHBondContact O-OG1 3.35Å
655	H	89.6	Confident	89.3	Confident	39 Å²	39	69.1 Å²	69.1	18%	0.181	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-47.6	175.8	179.4	66.5	0	0	0	111.9	Y567 R651 D652 R657 T658 K659 Y674	Y567-H655 AromaticContact CE2-NE2 3.89Å; Y567-H655 AromaticContact CZ-NE2 3.81Å; Y567-H655 PolarHBondContact OH-CD2 3.48Å; Y567-H655 PolarHBondContact OH-NE2 2.74Å; R651-H655 WeakPolarHBondContact O-CB 3.35Å; R651-H655 PolarHBondContact O-N 3.17Å; D652-H655 WeakPolarHBondContact O-CB 3.41Å; D652-H655 PolarHBondContact O-N 2.87Å; D652-H655 VanDerWaalsContact O-N 3.1Å; H655-R657 VanDerWaalsContact C-N 3.34Å; H655-R657 PolarHBondContact O-N 3.27Å; H655-T658 PolarHBondContact O-N 3.36Å; H655-K659 WeakPolarHBondContact O-CB 3.49Å; H655-K659 PolarHBondContact O-N 3.25Å; H655-Y674 HydrophobicContact CB-CE2 3.74Å; H655-Y674 AromaticContact CG-CE2 3.95Å
656	R	89.1	Confident	88.2	Confident	119 Å²	119	71.1 Å²	71.1	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-41.9	177.6	-66.4	-179.5	-163.3	-158.5	10.4	112	D652 I653 K659 N660	D652-R656 WeakPolarHBondContact O-CG 3.46Å; D652-R656 PolarHBondContact O-N 3.16Å; D652-R656 IonicContact OD1-CZ 3.1Å; D652-R656 IonicContact OD1-NE 2.73Å; D652-R656 PolarHBondContact OD1-NE 3.37Å; D652-R656 IonicContact OD1-NH2 3.51Å; D652-R656 PolarHBondContact OD1-NH2 2.81Å; D652-R656 IonicContact OD2-CZ 3.78Å; D652-R656 IonicContact OD2-NE 3.4Å; D652-R656 IonicContact OD2-NH2 3.51Å; D652-R656 PolarHBondContact OD2-NH2 3.47Å; I653-R656 PolarHBondContact O-N 3.5Å; R656-K659 PolarHBondContact O-N 3.19Å; R656-N660 VanDerWaalsContact O-CG 3.24Å; R656-N660 PolarHBondContact O-N 3.4Å; R656-N660 PolarHBondContact O-OD1 2.92Å
657	R	89.9	Confident	87.4	Confident	169 Å²	169	71.3 Å²	71.3	64%	0.638	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-47.8	174.5	-73.7	173.8	-179.7	-179.5	1.1	112.1	I653 H655 K659 N660 L661	I653-R657 WeakPolarHBondContact O-CG 3.31Å; I653-R657 PolarHBondContact O-N 2.92Å; H655-R657 VanDerWaalsContact C-N 3.34Å; H655-R657 PolarHBondContact O-N 3.27Å; R657-K659 PolarHBondContact O-N 2.86Å; R657-N660 PolarHBondContact O-N 2.98Å; R657-L661 WeakPolarHBondContact O-CG 3.24Å; R657-L661 PolarHBondContact O-N 2.96Å
658	T	86.3	Confident	86.9	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.454	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-44.2	177.9	-56.8	0	0	0	0	111.7	L654 H655 N660 L661 N662	L654-T658 PolarHBondContact O-N 3.45Å; L654-T658 VanDerWaalsContact O-N 3.08Å; L654-T658 PolarHBondContact O-OG1 3.35Å; H655-T658 PolarHBondContact O-N 3.36Å; T658-N660 PolarHBondContact O-N 3.25Å; T658-L661 PolarHBondContact O-N 2.82Å; T658-N662 PolarHBondContact O-N 3.35Å
659	K	84.6	Confident	86.5	Confident	59 Å²	59	74 Å²	74	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-43.1	176.6	176.8	-173.2	165	-173.4	0	112.3	H655 R656 R657 L661 N662 Q666	H655-K659 WeakPolarHBondContact O-CB 3.49Å; H655-K659 PolarHBondContact O-N 3.25Å; R656-K659 PolarHBondContact O-N 3.19Å; R657-K659 PolarHBondContact O-N 2.86Å; K659-L661 VanDerWaalsContact C-N 3.32Å; K659-L661 PolarHBondContact O-N 3.31Å; K659-N662 CarbonylContact O-C 3.31Å; K659-N662 VanDerWaalsContact O-C 3.31Å; K659-N662 PolarHBondContact O-N 3.21Å; K659-Q666 HydrophobicContact CG-CG 4.33Å
660	N	85.4	Confident	86.1	Confident	133 Å²	133	73.1 Å²	73.1	71%	0.711	37%	0.366	S	S	*	.	H	α-helix	trans	-69	-30.6	179.5	-69.3	6.8	0	0	0	112.6	R656 R657 T658	R656-N660 VanDerWaalsContact O-CG 3.24Å; R656-N660 PolarHBondContact O-N 3.4Å; R656-N660 PolarHBondContact O-OD1 2.92Å; R657-N660 PolarHBondContact O-N 2.98Å; T658-N660 PolarHBondContact O-N 3.25Å
661	L	86.7	Confident	85.6	Confident	155 Å²	155	70.5 Å²	70.5	81%	0.812	36%	0.357	S	S	*	.	H	α-helix	trans	-81.2	-30.5	176.5	-69.4	170.7	0	0	0	113	R657 T658 K659	R657-L661 WeakPolarHBondContact O-CG 3.24Å; R657-L661 PolarHBondContact O-N 2.96Å; T658-L661 PolarHBondContact O-N 2.82Å; K659-L661 VanDerWaalsContact C-N 3.32Å; K659-L661 PolarHBondContact O-N 3.31Å
662	N	83	Confident	85.3	Confident	75 Å²	75	70.8 Å²	70.8	40%	0.401	36%	0.36	S	S	.	.			trans	-144.1	92.3	-178.4	-176.9	2.3	0	0	0	110.6	T658 K659 N664 S665	T658-N662 PolarHBondContact O-N 3.35Å; K659-N662 CarbonylContact O-C 3.31Å; K659-N662 VanDerWaalsContact O-C 3.31Å; K659-N662 PolarHBondContact O-N 3.21Å; N662-N664 PolarHBondContact O-N 3.13Å; N662-N664 WeakPolarHBondContact OD1-CB 3.35Å; N662-N664 PolarHBondContact OD1-N 3.4Å; N662-N664 VanDerWaalsContact OD1-N 3.14Å; N662-S665 VanDerWaalsContact O-CB 3.25Å; N662-S665 WeakPolarHBondContact O-CB 3.13Å; N662-S665 PolarHBondContact O-N 3.26Å; N662-S665 PolarHBondContact O-OG 3.3Å
663	P	78.4	Confident	85.1	Confident	82 Å²	82	70.8 Å²	70.8	53%	0.532	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.5	-25.2	178.5	23.7	-33.3	0	0	0	112.9	S665 Q666	P663-S665 PolarHBondContact O-N 2.85Å; P663-S665 VanDerWaalsContact O-N 3.1Å; P663-Q666 VanDerWaalsContact O-CB 3.32Å; P663-Q666 WeakPolarHBondContact O-CB 3.26Å; P663-Q666 WeakPolarHBondContact O-CG 3.4Å; P663-Q666 PolarHBondContact O-N 3.26Å
664	N	76.2	Confident	85.1	Confident	116 Å²	116	67 Å²	67	62%	0.62	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-66	-11.5	174.2	-60	-19.1	0	0	0	112.7	N662 Q666 V667	N662-N664 PolarHBondContact O-N 3.13Å; N662-N664 WeakPolarHBondContact OD1-CB 3.35Å; N662-N664 PolarHBondContact OD1-N 3.4Å; N662-N664 VanDerWaalsContact OD1-N 3.14Å; N664-Q666 PolarHBondContact O-N 2.99Å; N664-Q666 VanDerWaalsContact O-N 3.14Å; N664-V667 VanDerWaalsContact O-CG2 3.27Å; N664-V667 WeakPolarHBondContact O-CG2 3.41Å; N664-V667 PolarHBondContact O-N 2.75Å
665	S	75.8	Confident	85.4	Confident	24 Å²	24	64.2 Å²	64.2	17%	0.168	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-62.8	-15	168.3	88	0	0	0	0	112.6	N662 P663 V667 L668	N662-S665 VanDerWaalsContact O-CB 3.25Å; N662-S665 WeakPolarHBondContact O-CB 3.13Å; N662-S665 PolarHBondContact O-N 3.26Å; N662-S665 PolarHBondContact O-OG 3.3Å; P663-S665 PolarHBondContact O-N 2.85Å; P663-S665 VanDerWaalsContact O-N 3.1Å; S665-V667 VanDerWaalsContact C-N 3.29Å; S665-V667 PolarHBondContact O-N 2.94Å; S665-L668 PolarHBondContact O-N 3.41Å
666	Q	75.1	Confident	85.6	Confident	73 Å²	73	62.4 Å²	62.4	34%	0.341	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-73.2	-12.9	177.7	-66.5	-163.1	-58.7	0	0	114.7	K659 P663 N664 R950	K659-Q666 HydrophobicContact CG-CG 4.33Å; P663-Q666 VanDerWaalsContact O-CB 3.32Å; P663-Q666 WeakPolarHBondContact O-CB 3.26Å; P663-Q666 WeakPolarHBondContact O-CG 3.4Å; P663-Q666 PolarHBondContact O-N 3.26Å; N664-Q666 PolarHBondContact O-N 2.99Å; N664-Q666 VanDerWaalsContact O-N 3.14Å; Q666-R950 PolarHBondContact O-NH1 3.49Å; Q666-R950 PolarHBondContact O-NH2 2.64Å
667	V	80.2	Confident	86	Confident	96 Å²	96	56.9 Å²	56.9	58%	0.582	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-103.5	-0.1	175	-63.2	0	0	0	0	113.6	N664 S665 R950	N664-V667 VanDerWaalsContact O-CG2 3.27Å; N664-V667 WeakPolarHBondContact O-CG2 3.41Å; N664-V667 PolarHBondContact O-N 2.75Å; S665-V667 VanDerWaalsContact C-N 3.29Å; S665-V667 PolarHBondContact O-N 2.94Å; V667-R950 PolarHBondContact O-N 3.03Å; V667-R950 VanDerWaalsContact O-N 3.12Å
668	L	86	Confident	86.4	Confident	62 Å²	62	50.6 Å²	50.6	33%	0.325	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-104.9	145.2	-180	-59.1	176.1	0	0	0	110.9	S665 P949	S665-L668 PolarHBondContact O-N 3.41Å; L668-P949 HydrophobicContact CD2-CG 4.25Å
669	G	87.5	Confident	87	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	60.6	-177.6	175.9	0	0	0	0	0	115	L945 R948 R950	G669-L945 VanDerWaalsContact CA-O 3.26Å; G669-L945 WeakPolarHBondContact CA-O 3.38Å; G669-R948 PolarHBondContact N-O 2.84Å; G669-R950 WeakPolarHBondContact O-CG 3.4Å; G669-R950 PolarHBondContact O-NE 3.14Å
670	I	88.4	Confident	87.6	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.062	24%	0.239	C	C	.	.	S	Bend	trans	-71.1	135.2	176.1	-63.4	-173.7	0	0	0	110.2	Q672 T724 D942 L945 I953	I670-Q672 PolarHBondContact O-N 2.77Å; I670-Q672 VanDerWaalsContact O-N 3.1Å; I670-Q672 PolarHBondContact O-NE2 3.32Å; I670-T724 HydrophobicContact CD1-CG2 3.71Å; I670-T724 HydrophobicContact CG2-CG2 4.1Å; I670-T724 WeakPolarHBondContact CG2-O 3.36Å; I670-D942 HydrophobicContact CD1-CB 3.65Å; I670-L945 HydrophobicContact CD1-CD1 3.84Å; I670-L945 HydrophobicContact CG1-CD1 4.12Å; I670-I953 HydrophobicContact CG1-CD1 4.45Å
671	P	86.2	Confident	88.2	Confident	7 Å²	7	38 Å²	38	5%	0.045	21%	0.205	C	C	.	.			trans	-52	113.1	174.8	-26.2	33.7	0	0	0	113.5	H673 P727	P671-H673 PolarHBondContact O-N 2.72Å; P671-P727 HydrophobicContact CB-CB 4.41Å; P671-P727 HydrophobicContact CG-CB 4.34Å; P671-P727 HydrophobicContact CG-CG 3.95Å
672	Q	86.3	Confident	88.7	Confident	42 Å²	42	31.6 Å²	31.6	20%	0.196	17%	0.172	C	C	.	.			trans	-86.9	101	-179.2	-59.5	-62.6	-65.2	0	0	110.8	Y567 I670 Y674	Y567-Q672 WeakPolarHBondContact CE2-O 3.28Å; Y567-Q672 PolarHBondContact OH-O 3.03Å; I670-Q672 PolarHBondContact O-N 2.77Å; I670-Q672 VanDerWaalsContact O-N 3.1Å; I670-Q672 PolarHBondContact O-NE2 3.32Å; Q672-Y674 HydrophobicContact CB-CE2 3.92Å
673	H	89.5	Confident	89.4	Confident	3 Å²	3	28 Å²	28	1%	0.014	15%	0.153	C	C	.	.			trans	-112.7	124.6	167.7	-56.8	-83.5	0	0	0	109.8	Y567 L570 Y574 P671	Y567-H673 AromaticContact CD2-CE1 3.36Å; Y567-H673 WeakPolarHBondContact CD2-CE1 3.44Å; Y567-H673 AromaticContact CD2-NE2 3.92Å; Y567-H673 AromaticContact CE2-CE1 3.42Å; Y567-H673 VanDerWaalsContact CE2-CE1 3.42Å; Y567-H673 WeakPolarHBondContact CE2-CE1 3.43Å; Y567-H673 AromaticContact CE2-ND1 3.7Å; L570-H673 WeakPolarHBondContact CD2-NE2 3.4Å; Y574-H673 HydrophobicContact CD2-CB 3.57Å; Y574-H673 AromaticContact CD2-CG 3.65Å; Y574-H673 HydrophobicContact CE2-CB 4.27Å; Y574-H673 HydrophobicContact CG-CB 4.27Å; P671-H673 PolarHBondContact O-N 2.72Å
674	Y	93.2	Very high	90.4	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.024	13%	0.128	C	C	.	.			trans	-94.3	-12	-173.1	-64.6	-81.7	0	0	0	114.1	T648 R651 D652 H655 Q672 L676 F677 Y678	T648-Y674 HydrophobicContact CG2-CD1 4.07Å; R651-Y674 HydrophobicContact CB-CE1 3.92Å; R651-Y674 HydrophobicContact CG-CE1 3.81Å; D652-Y674 HydrophobicContact CB-CD1 4.36Å; D652-Y674 HydrophobicContact CB-CD2 3.65Å; D652-Y674 HydrophobicContact CB-CE2 4.19Å; D652-Y674 HydrophobicContact CB-CG 3.77Å; H655-Y674 HydrophobicContact CB-CE2 3.74Å; H655-Y674 AromaticContact CG-CE2 3.95Å; Q672-Y674 HydrophobicContact CB-CE2 3.92Å; Y674-L676 VanDerWaalsContact C-N 3.27Å; Y674-L676 PolarHBondContact O-N 3.16Å; Y674-F677 AromaticContact CD1-CD2 3.91Å; Y674-F677 HydrophobicContact CD1-CD2 3.91Å; Y674-F677 HydrophobicContact CE1-CD2 4.43Å; Y674-F677 WeakPolarHBondContact O-CA 3.4Å; Y674-F677 WeakPolarHBondContact O-CB 3.46Å; Y674-F677 PolarHBondContact O-N 3.41Å; Y674-Y678 WeakPolarHBondContact O-CD2 3.48Å; Y674-Y678 PolarHBondContact O-N 3.08Å
675	G	95	Very high	91.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-50.9	-43	-178.6	0	0	0	0	0	114.3	Y574 Y678 A679	Y574-G675 CarbonylContact O-C 3.56Å; Y574-G675 WeakPolarHBondContact O-CA 3.16Å; G675-Y678 PolarHBondContact O-N 3.24Å; G675-A679 PolarHBondContact O-N 2.95Å
676	L	95.4	Very high	92.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-75.3	-29.4	178.3	-157.2	67	0	0	0	112.9	Y577 Y674 A679 M680 L716 L719 K720	Y577-L676 HydrophobicContact CD1-CD1 3.58Å; Y577-L676 HydrophobicContact CD2-CD1 3.95Å; Y577-L676 HydrophobicContact CE1-CD1 3.96Å; Y577-L676 HydrophobicContact CE2-CD1 4.32Å; Y577-L676 HydrophobicContact CG-CD1 3.55Å; Y674-L676 VanDerWaalsContact C-N 3.27Å; Y674-L676 PolarHBondContact O-N 3.16Å; L676-A679 PolarHBondContact O-N 3.4Å; L676-M680 VanDerWaalsContact O-CG 3.27Å; L676-M680 WeakPolarHBondContact O-CG 3.5Å; L676-M680 PolarHBondContact O-N 3.43Å; L676-L716 HydrophobicContact CD1-CD2 3.54Å; L676-L716 HydrophobicContact CG-CD2 4.46Å; L676-L719 HydrophobicContact CD2-CB 4.05Å; L676-K720 HydrophobicContact CB-CD 4.31Å; L676-K720 HydrophobicContact CD2-CB 3.78Å; L676-K720 HydrophobicContact CD2-CD 4Å; L676-K720 HydrophobicContact CG-CB 4.39Å; L676-K720 HydrophobicContact CG-CD 4.47Å
677	F	97.4	Very high	93.4	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-38.9	170.3	-75.5	-55	0	0	0	111.8	F644 T648 Y674 A679 M680 G681 K720 I938 M939	F644-F677 HydrophobicContact CE1-CB 4.29Å; F644-F677 HydrophobicContact CE1-CD1 4.25Å; F644-F677 WeakPolarHBondContact CE1-O 3.2Å; F644-F677 HydrophobicContact CZ-CB 4.46Å; F644-F677 AromaticContact CZ-CD1 3.81Å; F644-F677 HydrophobicContact CZ-CD1 3.81Å; F644-F677 HydrophobicContact CZ-CE1 4.42Å; F644-F677 HydrophobicContact CZ-CG 4.45Å; T648-F677 HydrophobicContact CG2-CB 3.61Å; Y674-F677 AromaticContact CD1-CD2 3.91Å; Y674-F677 HydrophobicContact CD1-CD2 3.91Å; Y674-F677 HydrophobicContact CE1-CD2 4.43Å; Y674-F677 WeakPolarHBondContact O-CA 3.4Å; Y674-F677 WeakPolarHBondContact O-CB 3.46Å; Y674-F677 PolarHBondContact O-N 3.41Å; F677-A679 VanDerWaalsContact C-N 3.32Å; F677-M680 HydrophobicContact CD1-CE 4.35Å; F677-M680 HydrophobicContact CD1-SD 3.93Å; F677-M680 HydrophobicContact CE1-SD 4.47Å; F677-M680 PolarHBondContact O-N 2.66Å; F677-G681 PolarHBondContact O-N 2.95Å; F677-K720 HydrophobicContact CD1-CD 4.44Å; F677-K720 HydrophobicContact CD1-CG 4.39Å; F677-K720 HydrophobicContact CE1-CD 4.22Å; F677-K720 VanDerWaalsContact CE1-CE 3.47Å; F677-K720 HydrophobicContact CE1-CG 4.04Å; F677-K720 HydrophobicContact CZ-CD 4.3Å; F677-K720 HydrophobicContact CZ-CG 4.46Å; F677-I938 HydrophobicContact CE1-CG2 3.97Å; F677-I938 HydrophobicContact CZ-CG2 4.34Å; F677-M939 HydrophobicContact CE1-CB 4.24Å; F677-M939 HydrophobicContact CG-CE 4.46Å; F677-M939 HydrophobicContact CZ-CB 4.11Å; F677-M939 HydrophobicContact CZ-CG 4.4Å
678	Y	98.1	Very high	94.2	Very high	37 Å²	37	11.7 Å²	11.7	15%	0.145	6%	0.058	C	C	.	.	H	α-helix	trans	-61.9	-42.2	171.3	-67.4	-68.1	0	0	0	111	L575 L645 T648 A649 D652 Y674 G675 G681 L682	L575-Y678 HydrophobicContact CD2-CD2 4.3Å; L645-Y678 HydrophobicContact CD2-CD1 4.11Å; L645-Y678 WeakPolarHBondContact CD2-O 3.32Å; T648-Y678 HydrophobicContact CG2-CD1 3.71Å; T648-Y678 HydrophobicContact CG2-CD2 4.19Å; T648-Y678 HydrophobicContact CG2-CE1 3.74Å; T648-Y678 HydrophobicContact CG2-CE2 4.22Å; T648-Y678 HydrophobicContact CG2-CG 3.95Å; A649-Y678 WeakPolarHBondContact CA-OH 3.22Å; A649-Y678 HydrophobicContact CB-CE1 4.09Å; D652-Y678 WeakPolarHBondContact CB-OH 3.35Å; D652-Y678 WeakPolarHBondContact OD2-CE2 3.47Å; D652-Y678 PolarHBondContact OD2-OH 2.93Å; Y674-Y678 WeakPolarHBondContact O-CD2 3.48Å; Y674-Y678 PolarHBondContact O-N 3.08Å; G675-Y678 PolarHBondContact O-N 3.24Å; Y678-G681 PolarHBondContact O-N 3.5Å; Y678-L682 WeakPolarHBondContact O-CB 3.49Å; Y678-L682 PolarHBondContact O-N 3.25Å
679	A	97.9	Very high	94.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-43	174.3	0	0	0	0	0	112.3	L581 G675 L676 F677 L682 A683 L716	L581-A679 HydrophobicContact CD2-CB 4.48Å; L581-A679 VanDerWaalsContact CD2-O 3.25Å; L581-A679 WeakPolarHBondContact CD2-O 3.46Å; G675-A679 PolarHBondContact O-N 2.95Å; L676-A679 PolarHBondContact O-N 3.4Å; F677-A679 VanDerWaalsContact C-N 3.32Å; A679-L682 PolarHBondContact O-N 3.18Å; A679-A683 VanDerWaalsContact O-CB 3.29Å; A679-A683 WeakPolarHBondContact O-CB 3.32Å; A679-A683 PolarHBondContact O-N 3.3Å; A679-L716 HydrophobicContact CB-CD1 4.12Å; A679-L716 HydrophobicContact CB-CD2 3.99Å
680	M	97.8	Very high	95	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-45.1	175	-71.6	164.6	62.7	0	0	112.6	F644 L676 F677 A683 L684 L716 V717 K720 F935	F644-M680 HydrophobicContact CE1-CB 4.42Å; L676-M680 VanDerWaalsContact O-CG 3.27Å; L676-M680 WeakPolarHBondContact O-CG 3.5Å; L676-M680 PolarHBondContact O-N 3.43Å; F677-M680 HydrophobicContact CD1-CE 4.35Å; F677-M680 HydrophobicContact CD1-SD 3.93Å; F677-M680 HydrophobicContact CE1-SD 4.47Å; F677-M680 PolarHBondContact O-N 2.66Å; M680-A683 PolarHBondContact O-N 2.86Å; M680-L684 PolarHBondContact O-N 3.31Å; M680-L716 HydrophobicContact CG-CB 3.95Å; M680-V717 HydrophobicContact CE-CG2 4.12Å; M680-K720 HydrophobicContact SD-CB 3.73Å; M680-K720 HydrophobicContact SD-CG 3.72Å; M680-F935 HydrophobicContact CB-CD2 4.41Å; M680-F935 HydrophobicContact CB-CE1 4.46Å; M680-F935 HydrophobicContact CB-CE2 3.85Å; M680-F935 HydrophobicContact CB-CZ 3.87Å; M680-F935 HydrophobicContact CE-CB 4.42Å; M680-F935 HydrophobicContact CE-CD1 3.38Å; M680-F935 HydrophobicContact CE-CD2 4.31Å; M680-F935 HydrophobicContact CE-CE1 3.52Å; M680-F935 HydrophobicContact CE-CE2 4.42Å; M680-F935 HydrophobicContact CE-CG 3.8Å; M680-F935 HydrophobicContact CE-CZ 4.05Å; M680-F935 HydrophobicContact CG-CZ 4.48Å; M680-F935 WeakPolarHBondContact O-CE2 3.29Å
681	G	98.1	Very high	95.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.5	-38.4	178	0	0	0	0	0	113.3	F677 Y678 T685	F677-G681 PolarHBondContact O-N 2.95Å; Y678-G681 PolarHBondContact O-N 3.5Å; G681-T685 PolarHBondContact O-N 2.98Å; G681-T685 VanDerWaalsContact O-N 3.09Å; G681-T685 PolarHBondContact O-OG1 3.19Å
682	L	98	Very high	95.7	Very high	22 Å²	22	12.6 Å²	12.6	12%	0.115	6%	0.064	C	C	.	.	H	α-helix	trans	-67.2	-44.7	172.7	178.6	61.1	0	0	0	111.3	F578 L581 I582 Y678 A679 L684 T685 M686	F578-L682 HydrophobicContact CD2-CB 4.16Å; F578-L682 HydrophobicContact CD2-CD2 3.9Å; F578-L682 HydrophobicContact CE2-CB 4.02Å; F578-L682 HydrophobicContact CE2-CD2 3.85Å; F578-L682 HydrophobicContact CE2-CG 4.47Å; L581-L682 HydrophobicContact CB-CD2 4.04Å; L581-L682 HydrophobicContact CD2-CB 4.06Å; L581-L682 HydrophobicContact CD2-CD2 4.01Å; L581-L682 HydrophobicContact CD2-CG 3.95Å; L581-L682 HydrophobicContact CG-CD2 3.93Å; L581-L682 HydrophobicContact CG-CG 4.21Å; I582-L682 HydrophobicContact CB-CD2 4.45Å; I582-L682 HydrophobicContact CD1-CD2 4.44Å; I582-L682 HydrophobicContact CG1-CD2 3.44Å; I582-L682 VanDerWaalsContact CG1-CD2 3.44Å; Y678-L682 WeakPolarHBondContact O-CB 3.49Å; Y678-L682 PolarHBondContact O-N 3.25Å; A679-L682 PolarHBondContact O-N 3.18Å; L682-L684 VanDerWaalsContact C-N 3.33Å; L682-L684 PolarHBondContact O-N 3.42Å; L682-T685 WeakPolarHBondContact O-CA 3.3Å; L682-T685 WeakPolarHBondContact O-CB 3.36Å; L682-T685 PolarHBondContact O-N 3.39Å; L682-M686 HydrophobicContact CD1-CG 3.85Å; L682-M686 HydrophobicContact CD1-SD 4.24Å; L682-M686 HydrophobicContact CG-CG 4.25Å; L682-M686 WeakPolarHBondContact O-CG 3.37Å; L682-M686 PolarHBondContact O-N 3.5Å
683	A	97.7	Very high	96	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.3	-45.1	176.8	0	0	0	0	0	111.4	L581 A679 M680 T685 M686 E687 L713 L716	L581-A683 HydrophobicContact CD2-CB 3.84Å; A679-A683 VanDerWaalsContact O-CB 3.29Å; A679-A683 WeakPolarHBondContact O-CB 3.32Å; A679-A683 PolarHBondContact O-N 3.3Å; M680-A683 PolarHBondContact O-N 2.86Å; A683-T685 VanDerWaalsContact C-N 3.29Å; A683-T685 PolarHBondContact O-N 3.13Å; A683-M686 PolarHBondContact O-N 3.18Å; A683-E687 VanDerWaalsContact O-CB 3.24Å; A683-E687 WeakPolarHBondContact O-CB 3.36Å; A683-E687 PolarHBondContact O-N 3.08Å; A683-L713 HydrophobicContact CB-CD1 3.68Å; A683-L716 HydrophobicContact CB-CD1 3.76Å
684	L	98.1	Very high	96.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.8	-32	175.4	-169.7	66.5	0	0	0	112.7	Y637 M680 L682 G688 L713 M931 F935	Y637-L684 CarbonylContact C-O 3.59Å; Y637-L684 WeakPolarHBondContact CB-O 3.39Å; Y637-L684 HydrophobicContact CD1-CD1 3.79Å; M680-L684 PolarHBondContact O-N 3.31Å; L682-L684 VanDerWaalsContact C-N 3.33Å; L682-L684 PolarHBondContact O-N 3.42Å; L684-G688 PolarHBondContact O-N 3.36Å; L684-L713 HydrophobicContact CB-CD1 4.21Å; L684-L713 HydrophobicContact CD1-CD1 4.48Å; L684-L713 HydrophobicContact CD1-CD2 4.42Å; L684-M931 HydrophobicContact CD1-CB 3.72Å; L684-M931 HydrophobicContact CD1-CG 4.08Å; L684-M931 HydrophobicContact CD2-CB 4.35Å; L684-F935 HydrophobicContact CB-CE2 3.85Å; L684-F935 HydrophobicContact CB-CZ 4.38Å; L684-F935 HydrophobicContact CD2-CD2 4.11Å; L684-F935 HydrophobicContact CD2-CE2 3.81Å; L684-F935 HydrophobicContact CG-CE2 4.34Å
685	T	97.9	Very high	96.2	Very high	11 Å²	11	12.6 Å²	12.6	7%	0.067	7%	0.066	C	C	.	.	H	α-helix	trans	-71.4	-42.6	175.7	-52	0	0	0	0	111.3	V638 G641 L642 G681 L682 A683 G688 L689	V638-T685 HydrophobicContact CG1-CG2 4.05Å; G641-T685 WeakPolarHBondContact CA-OG1 2.95Å; L642-T685 HydrophobicContact CD2-CG2 4.12Å; L642-T685 HydrophobicContact CG-CG2 4.08Å; L642-T685 PolarHBondContact N-OG1 3.32Å; G681-T685 PolarHBondContact O-N 2.98Å; G681-T685 VanDerWaalsContact O-N 3.09Å; G681-T685 PolarHBondContact O-OG1 3.19Å; L682-T685 WeakPolarHBondContact O-CA 3.3Å; L682-T685 WeakPolarHBondContact O-CB 3.36Å; L682-T685 PolarHBondContact O-N 3.39Å; A683-T685 VanDerWaalsContact C-N 3.29Å; A683-T685 PolarHBondContact O-N 3.13Å; T685-G688 PolarHBondContact O-N 2.86Å; T685-L689 PolarHBondContact O-N 3.34Å
686	M	96.6	Very high	96	Very high	32 Å²	32	13.6 Å²	13.6	16%	0.158	7%	0.07	C	C	.	.	H	α-helix	trans	-77.1	-31	-178.9	-61.1	-50.5	-69.4	0	0	112.8	L682 A683 L689 M690 Y709	L682-M686 HydrophobicContact CD1-CG 3.85Å; L682-M686 HydrophobicContact CD1-SD 4.24Å; L682-M686 HydrophobicContact CG-CG 4.25Å; L682-M686 WeakPolarHBondContact O-CG 3.37Å; L682-M686 PolarHBondContact O-N 3.5Å; A683-M686 PolarHBondContact O-N 3.18Å; M686-L689 HydrophobicContact CE-CD1 4.15Å; M686-L689 PolarHBondContact O-N 3.48Å; M686-L689 HydrophobicContact SD-CD1 3.77Å; M686-M690 WeakPolarHBondContact O-CB 3.44Å; M686-M690 WeakPolarHBondContact O-CG 3.39Å; M686-M690 PolarHBondContact O-N 3.43Å; M686-Y709 HydrophobicContact CB-CD1 3.78Å; M686-Y709 HydrophobicContact CB-CE1 3.36Å; M686-Y709 HydrophobicContact CG-CE1 4.21Å
687	E	96.6	Very high	95.8	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.023	7%	0.07	C	C	.	.	H	α-helix	trans	-48.5	-58.1	164.7	175.1	78.9	174.6	0	0	109.9	Y637 A683 L689 M690 S691 Y709 M710	Y637-E687 HydrophobicContact CD1-CG 4.17Å; Y637-E687 HydrophobicContact CE1-CG 4.33Å; A683-E687 VanDerWaalsContact O-CB 3.24Å; A683-E687 WeakPolarHBondContact O-CB 3.36Å; A683-E687 PolarHBondContact O-N 3.08Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 3.07Å; E687-M690 PolarHBondContact O-N 3.35Å; E687-S691 WeakPolarHBondContact O-CB 3.42Å; E687-S691 PolarHBondContact O-N 2.95Å; E687-Y709 WeakPolarHBondContact OE2-CB 3.26Å; E687-M710 VanDerWaalsContact OE1-CE 3.28Å; E687-M710 WeakPolarHBondContact OE1-CE 3.14Å; E687-M710 WeakPolarHBondContact OE1-CG 3.07Å; E687-M710 PolarHBondContact OE2-N 3.11Å
688	G	96.8	Very high	95.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.7	-36.2	179.4	0	0	0	0	0	114.2	L684 T685 A692	L684-G688 PolarHBondContact O-N 3.36Å; T685-G688 PolarHBondContact O-N 2.86Å; G688-A692 WeakPolarHBondContact O-CB 3.44Å; G688-A692 PolarHBondContact O-N 3.29Å; G688-A692 VanDerWaalsContact O-N 3.14Å
689	L	95.7	Very high	95.1	Very high	74 Å²	74	12 Å²	12	39%	0.387	7%	0.065	S	C	.	.	H	α-helix	trans	-73.2	-41	178.2	-69.6	173	0	0	0	112.5	V638 T685 M686 E687 C693	V638-L689 HydrophobicContact CG2-CD2 4.12Å; V638-L689 HydrophobicContact CG2-CG 4.08Å; T685-L689 PolarHBondContact O-N 3.34Å; M686-L689 HydrophobicContact CE-CD1 4.15Å; M686-L689 PolarHBondContact O-N 3.48Å; M686-L689 HydrophobicContact SD-CD1 3.77Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 3.07Å; L689-C693 PolarHBondContact O-N 3.02Å; L689-C693 VanDerWaalsContact O-N 3.11Å; L689-C693 PolarHBondContact O-SG 3.44Å
690	M	95	Very high	94.5	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.049	9%	0.086	C	C	.	.	H	α-helix	trans	-78.8	-34.8	-179.3	-63.8	-66.6	97	0	0	112.3	A592 M686 E687 C693 Y694 F705 Y709	A592-M690 HydrophobicContact CB-SD 4.34Å; M686-M690 WeakPolarHBondContact O-CB 3.44Å; M686-M690 WeakPolarHBondContact O-CG 3.39Å; M686-M690 PolarHBondContact O-N 3.43Å; E687-M690 PolarHBondContact O-N 3.35Å; M690-C693 CarbonylContact O-C 3.59Å; M690-C693 WeakPolarHBondContact O-CB 3.38Å; M690-C693 PolarHBondContact O-N 3.21Å; M690-Y694 PolarHBondContact O-N 3.35Å; M690-F705 VanDerWaalsContact CB-O 3.28Å; M690-F705 WeakPolarHBondContact CB-O 3.26Å; M690-Y709 HydrophobicContact CB-CD2 4.14Å; M690-Y709 HydrophobicContact CB-CE2 4.42Å; M690-Y709 HydrophobicContact CG-CD2 3.77Å; M690-Y709 HydrophobicContact CG-CE2 3.56Å
691	S	94.7	Very high	93.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-44.7	171.1	-155.3	0	0	0	0	111.2	N634 E687 C693 Y694 H695 D706 H924	N634-S691 VanDerWaalsContact OD1-CB 3.27Å; N634-S691 WeakPolarHBondContact OD1-CB 3.26Å; N634-S691 PolarHBondContact OD1-OG 3.27Å; E687-S691 WeakPolarHBondContact O-CB 3.42Å; E687-S691 PolarHBondContact O-N 2.95Å; S691-C693 VanDerWaalsContact C-N 3.29Å; S691-C693 PolarHBondContact O-N 3.14Å; S691-Y694 PolarHBondContact O-N 2.65Å; S691-H695 WeakPolarHBondContact O-CB 3.15Å; S691-H695 PolarHBondContact O-CD2 3.49Å; S691-H695 VanDerWaalsContact O-CD2 3.3Å; S691-H695 PolarHBondContact O-N 2.93Å; S691-D706 WeakPolarHBondContact CA-OD1 3.4Å; S691-D706 WeakPolarHBondContact CB-OD1 3.24Å; S691-D706 PolarHBondContact OG-OD1 2.76Å; S691-H924 PolarHBondContact OG-NE2 3.33Å
692	A	94.3	Very high	93.2	Very high	19 Å²	19	19.2 Å²	19.2	16%	0.157	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-37.4	171.9	0	0	0	0	0	112.5	I631 N634 G688 M696	I631-A692 HydrophobicContact CG2-CB 4.2Å; N634-A692 HydrophobicContact CB-CB 3.98Å; G688-A692 WeakPolarHBondContact O-CB 3.44Å; G688-A692 PolarHBondContact O-N 3.29Å; G688-A692 VanDerWaalsContact O-N 3.14Å; A692-M696 PolarHBondContact O-N 3.1Å
693	C	92.5	Very high	92.4	Very high	18 Å²	18	18.7 Å²	18.7	12%	0.122	10%	0.099	C	C	.	.	H	α-helix	trans	-66.9	-45.4	173.1	-67.5	0	0	0	0	111.9	I596 L689 M690 S691 H695 M696	I596-C693 WeakPolarHBondContact CD1-O 2.93Å; I596-C693 VanDerWaalsContact CG1-O 3.28Å; I596-C693 WeakPolarHBondContact CG1-O 3.34Å; L689-C693 PolarHBondContact O-N 3.02Å; L689-C693 VanDerWaalsContact O-N 3.11Å; L689-C693 PolarHBondContact O-SG 3.44Å; M690-C693 CarbonylContact O-C 3.59Å; M690-C693 WeakPolarHBondContact O-CB 3.38Å; M690-C693 PolarHBondContact O-N 3.21Å; S691-C693 VanDerWaalsContact C-N 3.29Å; S691-C693 PolarHBondContact O-N 3.14Å; C693-H695 VanDerWaalsContact C-N 3.33Å; C693-H695 PolarHBondContact O-N 3.47Å; C693-M696 WeakPolarHBondContact O-CB 3.34Å; C693-M696 PolarHBondContact O-N 2.75Å
694	Y	93.2	Very high	91.7	Very high	24 Å²	24	20.6 Å²	20.6	9%	0.094	11%	0.108	C	C	.	.	H	α-helix	trans	-58.2	-46.1	176.1	167.4	-112.1	0	0	0	111.5	M690 S691 M696 C697 P698 N702 F703 D706	M690-Y694 PolarHBondContact O-N 3.35Å; S691-Y694 PolarHBondContact O-N 2.65Å; Y694-M696 PolarHBondContact O-N 3.3Å; Y694-M696 VanDerWaalsContact O-N 3.15Å; Y694-C697 CarbonylContact O-C 3.59Å; Y694-C697 VanDerWaalsContact O-C 3.3Å; Y694-C697 PolarHBondContact O-N 3.45Å; Y694-C697 VanDerWaalsContact O-N 3.16Å; Y694-P698 HydrophobicContact CD1-CB 4.44Å; Y694-P698 HydrophobicContact CD2-CB 4.28Å; Y694-P698 HydrophobicContact CE1-CB 3.88Å; Y694-P698 HydrophobicContact CE2-CB 3.67Å; Y694-P698 VanDerWaalsContact CZ-CB 3.45Å; Y694-P698 WeakPolarHBondContact O-CA 3.47Å; Y694-N702 VanDerWaalsContact CD2-OD1 3.3Å; Y694-N702 WeakPolarHBondContact CD2-OD1 3.44Å; Y694-N702 VanDerWaalsContact CE2-OD1 3.3Å; Y694-N702 WeakPolarHBondContact CE2-OD1 3.4Å; Y694-F703 HydrophobicContact CE2-CB 4.3Å; Y694-D706 HydrophobicContact CD1-CB 4.11Å; Y694-D706 HydrophobicContact CG-CB 4.17Å
695	H	93.1	Very high	90.9	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.042	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.2	179.1	-77.7	-59.4	0	0	0	115.2	N630 S691 C693 C697 H920 H924	N630-H695 HydrophobicContact CB-CB 3.93Å; S691-H695 WeakPolarHBondContact O-CB 3.15Å; S691-H695 PolarHBondContact O-CD2 3.49Å; S691-H695 VanDerWaalsContact O-CD2 3.3Å; S691-H695 PolarHBondContact O-N 2.93Å; C693-H695 VanDerWaalsContact C-N 3.33Å; C693-H695 PolarHBondContact O-N 3.47Å; H695-C697 VanDerWaalsContact C-N 3.3Å; H695-H920 AromaticContact CE1-CD2 3.63Å; H695-H920 AromaticContact CE1-NE2 3.19Å; H695-H920 PolarHBondContact CE1-NE2 2.81Å; H695-H920 AromaticContact NE2-CD2 3.75Å; H695-H920 AromaticContact NE2-NE2 3.04Å; H695-H920 PolarHBondContact NE2-NE2 2.84Å; H695-H924 AromaticContact CD2-NE2 3.69Å; H695-H924 AromaticContact NE2-NE2 3.36Å; H695-H924 PolarHBondContact NE2-NE2 3.49Å
696	M	90.9	Very high	90.5	Very high	20 Å²	20	21.6 Å²	21.6	10%	0.099	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-20	167.5	-77.5	172.6	49.9	0	0	113.9	I596 M597 Q600 Y614 F625 I631 A692 C693 Y694	I596-M696 HydrophobicContact CD1-CB 4.46Å; I596-M696 HydrophobicContact CG1-CB 3.76Å; I596-M696 HydrophobicContact CG1-CE 4.35Å; I596-M696 HydrophobicContact CG2-CE 3.99Å; I596-M696 HydrophobicContact CG2-SD 4.41Å; M597-M696 HydrophobicContact SD-CE 3.8Å; Q600-M696 PolarHBondContact OE1-O 3.46Å; Q600-M696 VanDerWaalsContact OE1-O 3.14Å; Y614-M696 VanDerWaalsContact OH-C 3.24Å; Y614-M696 PolarHBondContact OH-O 3.07Å; F625-M696 HydrophobicContact CD1-CE 4.42Å; F625-M696 HydrophobicContact CD1-CG 4.29Å; F625-M696 HydrophobicContact CE1-CE 3.85Å; F625-M696 HydrophobicContact CE1-CG 4.3Å; F625-M696 HydrophobicContact CE1-SD 4.16Å; I631-M696 HydrophobicContact CD1-CB 4.39Å; I631-M696 HydrophobicContact CD1-CG 3.54Å; I631-M696 HydrophobicContact CG1-CG 3.98Å; A692-M696 PolarHBondContact O-N 3.1Å; C693-M696 WeakPolarHBondContact O-CB 3.34Å; C693-M696 PolarHBondContact O-N 2.75Å; Y694-M696 PolarHBondContact O-N 3.3Å; Y694-M696 VanDerWaalsContact O-N 3.15Å
697	C	91.5	Very high	90.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-172	81.5	168.1	175.5	0	0	0	0	108.6	I596 C612 Y614 Y694 H695 N699 N702	I596-C697 HydrophobicContact CD1-CB 3.83Å; C612-C697 HydrophobicContact CB-CB 4.01Å; C612-C697 WeakPolarHBondContact CB-SG 3.19Å; C612-C697 WeakPolarHBondContact SG-CB 3.47Å; C612-C697 CovalentContact SG-SG 2.04Å; C612-C697 PolarHBondContact SG-SG 3.3Å; Y614-C697 WeakPolarHBondContact OH-CA 3.42Å; Y694-C697 CarbonylContact O-C 3.59Å; Y694-C697 VanDerWaalsContact O-C 3.3Å; Y694-C697 PolarHBondContact O-N 3.45Å; Y694-C697 VanDerWaalsContact O-N 3.16Å; H695-C697 VanDerWaalsContact C-N 3.3Å; C697-N699 PolarHBondContact O-N 3.31Å; C697-N699 PolarHBondContact O-ND2 2.93Å; C697-N702 PolarHBondContact O-ND2 3.01Å
698	P	91.8	Very high	90.1	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.026	11%	0.108	C	C	.	.			trans	-70.4	128.1	-173	28	-35.1	0	0	0	111.1	Y613 Y614 Y694	Y613-P698 WeakPolarHBondContact CD2-O 3.22Å; Y613-P698 PolarHBondContact N-O 2.81Å; Y613-P698 VanDerWaalsContact O-CG 3.26Å; Y613-P698 WeakPolarHBondContact O-CG 3.4Å; Y614-P698 HydrophobicContact CD1-CG 4.22Å; Y614-P698 VanDerWaalsContact CE1-CD 3.43Å; Y614-P698 HydrophobicContact CE1-CG 4.14Å; Y694-P698 HydrophobicContact CD1-CB 4.44Å; Y694-P698 HydrophobicContact CD2-CB 4.28Å; Y694-P698 HydrophobicContact CE1-CB 3.88Å; Y694-P698 HydrophobicContact CE2-CB 3.67Å; Y694-P698 VanDerWaalsContact CZ-CB 3.45Å; Y694-P698 WeakPolarHBondContact O-CA 3.47Å
699	N	88.4	Confident	90	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.109	C	C	.	.			trans	-153.6	173.5	178.7	67.2	56	0	0	0	113	C697 S701 N702 F703	C697-N699 PolarHBondContact O-N 3.31Å; C697-N699 PolarHBondContact O-ND2 2.93Å; N699-S701 PolarHBondContact O-N 3.48Å; N699-S701 WeakPolarHBondContact OD1-CA 3.38Å; N699-S701 VanDerWaalsContact OD1-CB 3.3Å; N699-S701 WeakPolarHBondContact OD1-CB 3.31Å; N699-S701 PolarHBondContact OD1-N 3.48Å; N699-N702 PolarHBondContact N-OD1 2.92Å; N699-N702 PolarHBondContact ND2-ND2 3.33Å; N699-N702 PolarHBondContact O-N 3Å; N699-N702 PolarHBondContact O-OD1 3.4Å; N699-N702 VanDerWaalsContact OD1-CG 3.3Å; N699-N702 PolarHBondContact OD1-N 3.36Å; N699-N702 VanDerWaalsContact OD1-N 3.12Å; N699-N702 PolarHBondContact OD1-OD1 3.14Å; N699-F703 PolarHBondContact O-N 3.36Å
700	F	84.8	Confident	90	Very high	103 Å²	103	17.9 Å²	17.9	45%	0.452	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.5	-177.7	84.5	-88	0	0	0	114.5	F703 W897	F700-F703 VanDerWaalsContact O-CD1 3.25Å; F700-F703 WeakPolarHBondContact O-CD1 3.48Å; F700-W897 HydrophobicContact CB-CE3 4Å
701	S	83.8	Confident	90	Very high	49 Å²	49	17.5 Å²	17.5	34%	0.343	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-18	-179.8	-60.3	0	0	0	0	112.9	N699	N699-S701 PolarHBondContact O-N 3.48Å; N699-S701 WeakPolarHBondContact OD1-CA 3.38Å; N699-S701 VanDerWaalsContact OD1-CB 3.3Å; N699-S701 WeakPolarHBondContact OD1-CB 3.31Å; N699-S701 PolarHBondContact OD1-N 3.48Å
702	N	85.8	Confident	90	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	1	-173.3	68.3	7.7	0	0	0	115.4	L595 I596 Y694 C697 N699 Q704 F705	L595-N702 HydrophobicContact CD2-CB 4.48Å; I596-N702 WeakPolarHBondContact CD1-ND2 3.38Å; Y694-N702 VanDerWaalsContact CD2-OD1 3.3Å; Y694-N702 WeakPolarHBondContact CD2-OD1 3.44Å; Y694-N702 VanDerWaalsContact CE2-OD1 3.3Å; Y694-N702 WeakPolarHBondContact CE2-OD1 3.4Å; C697-N702 PolarHBondContact O-ND2 3.01Å; N699-N702 PolarHBondContact N-OD1 2.92Å; N699-N702 PolarHBondContact ND2-ND2 3.33Å; N699-N702 PolarHBondContact O-N 3Å; N699-N702 PolarHBondContact O-OD1 3.4Å; N699-N702 VanDerWaalsContact OD1-CG 3.3Å; N699-N702 PolarHBondContact OD1-N 3.36Å; N699-N702 VanDerWaalsContact OD1-N 3.12Å; N699-N702 PolarHBondContact OD1-OD1 3.14Å; N702-Q704 PolarHBondContact O-N 2.88Å; N702-F705 HydrophobicContact CB-CD2 3.78Å; N702-F705 HydrophobicContact CB-CE2 3.54Å; N702-F705 HydrophobicContact CB-CZ 4.36Å; N702-F705 WeakPolarHBondContact O-CD2 3.21Å; N702-F705 WeakPolarHBondContact O-CG 3.34Å; N702-F705 PolarHBondContact O-N 3.18Å
703	F	81.9	Confident	90.1	Very high	11 Å²	11	17.2 Å²	17.2	5%	0.048	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-35	176.1	77	-88.6	0	0	0	113.6	Y694 N699 F700 F705 D706 T707 V751 S839	Y694-F703 HydrophobicContact CE2-CB 4.3Å; N699-F703 PolarHBondContact O-N 3.36Å; F700-F703 VanDerWaalsContact O-CD1 3.25Å; F700-F703 WeakPolarHBondContact O-CD1 3.48Å; F703-F705 PolarHBondContact O-N 3.15Å; F703-D706 PolarHBondContact O-N 3.31Å; F703-T707 PolarHBondContact O-N 3.19Å; F703-T707 PolarHBondContact O-OG1 3.32Å; F703-V751 HydrophobicContact CD1-CG1 4.24Å; F703-V751 HydrophobicContact CE1-CB 3.9Å; F703-V751 HydrophobicContact CE1-CG1 3.68Å; F703-V751 HydrophobicContact CE1-CG2 4.02Å; F703-V751 HydrophobicContact CE2-CG2 4.07Å; F703-V751 HydrophobicContact CZ-CB 3.88Å; F703-V751 HydrophobicContact CZ-CG1 4.17Å; F703-V751 HydrophobicContact CZ-CG2 3.65Å; F703-S839 WeakPolarHBondContact CD2-OG 3.48Å; F703-S839 WeakPolarHBondContact CE2-OG 3.46Å
704	Q	82.3	Confident	90.3	Very high	39 Å²	39	16.5 Å²	16.5	18%	0.182	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-28.9	-170.6	-160	-156.8	35.1	0	0	112.3	Y588 N702 D706 T707 A708 I744 V748	Y588-Q704 VanDerWaalsContact OH-C 3.3Å; Y588-Q704 VanDerWaalsContact OH-CD 3.26Å; Y588-Q704 WeakPolarHBondContact OH-CG 3.49Å; Y588-Q704 PolarHBondContact OH-O 3.27Å; Y588-Q704 PolarHBondContact OH-OE1 3.33Å; N702-Q704 PolarHBondContact O-N 2.88Å; Q704-D706 VanDerWaalsContact C-N 3.27Å; Q704-D706 PolarHBondContact O-N 3.43Å; Q704-T707 PolarHBondContact O-N 3.3Å; Q704-A708 WeakPolarHBondContact O-CB 3.48Å; Q704-A708 PolarHBondContact O-N 2.66Å; Q704-I744 PolarHBondContact NE2-O 3.25Å; Q704-V748 HydrophobicContact CG-CG2 4.34Å
705	F	81.9	Confident	90.4	Very high	19 Å²	19	16 Å²	16	8%	0.083	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-39	-174.5	-57.5	-31.1	0	0	0	112.3	Y588 A592 L595 M690 N702 F703	Y588-F705 HydrophobicContact CE1-CD1 4.11Å; Y588-F705 AromaticContact CZ-CD1 3.95Å; A592-F705 HydrophobicContact CB-CB 4.37Å; A592-F705 HydrophobicContact CB-CD1 3.59Å; A592-F705 HydrophobicContact CB-CD2 3.69Å; A592-F705 HydrophobicContact CB-CE1 3.68Å; A592-F705 HydrophobicContact CB-CE2 3.75Å; A592-F705 HydrophobicContact CB-CG 3.62Å; A592-F705 HydrophobicContact CB-CZ 3.77Å; L595-F705 HydrophobicContact CB-CE2 4.44Å; L595-F705 HydrophobicContact CB-CZ 4.38Å; L595-F705 HydrophobicContact CD2-CE2 3.99Å; L595-F705 HydrophobicContact CD2-CZ 3.72Å; M690-F705 VanDerWaalsContact CB-O 3.28Å; M690-F705 WeakPolarHBondContact CB-O 3.26Å; N702-F705 HydrophobicContact CB-CD2 3.78Å; N702-F705 HydrophobicContact CB-CE2 3.54Å; N702-F705 HydrophobicContact CB-CZ 4.36Å; N702-F705 WeakPolarHBondContact O-CD2 3.21Å; N702-F705 WeakPolarHBondContact O-CG 3.34Å; N702-F705 PolarHBondContact O-N 3.18Å; F703-F705 PolarHBondContact O-N 3.15Å
706	D	88	Confident	90.5	Very high	13 Å²	13	15.6 Å²	15.6	7%	0.07	8%	0.08	C	C	.	.	H	α-helix	trans	-75.3	-60.4	174.1	-172.2	42.1	0	0	0	110.4	S691 Y694 F703 Q704 A708 Y709 M710	S691-D706 WeakPolarHBondContact CA-OD1 3.4Å; S691-D706 WeakPolarHBondContact CB-OD1 3.24Å; S691-D706 PolarHBondContact OG-OD1 2.76Å; Y694-D706 HydrophobicContact CD1-CB 4.11Å; Y694-D706 HydrophobicContact CG-CB 4.17Å; F703-D706 PolarHBondContact O-N 3.31Å; Q704-D706 VanDerWaalsContact C-N 3.27Å; Q704-D706 PolarHBondContact O-N 3.43Å; D706-A708 VanDerWaalsContact C-N 3.27Å; D706-A708 PolarHBondContact O-N 2.9Å; D706-A708 VanDerWaalsContact O-N 3.11Å; D706-Y709 PolarHBondContact O-N 3.37Å; D706-M710 PolarHBondContact O-N 2.64Å; D706-M710 VanDerWaalsContact OD2-CE 3.22Å; D706-M710 WeakPolarHBondContact OD2-CE 3.49Å
707	T	92.1	Very high	90.8	Very high	14 Å²	14	15 Å²	15	9%	0.086	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-26.8	-170.4	-29.4	0	0	0	0	114.2	F703 Q704 Y709 M710 Y711 L843	F703-T707 PolarHBondContact O-N 3.19Å; F703-T707 PolarHBondContact O-OG1 3.32Å; Q704-T707 PolarHBondContact O-N 3.3Å; T707-Y709 VanDerWaalsContact C-N 3.3Å; T707-Y709 PolarHBondContact O-N 3.36Å; T707-M710 HydrophobicContact CG2-SD 4.43Å; T707-M710 WeakPolarHBondContact O-CB 3.48Å; T707-M710 PolarHBondContact O-N 3.36Å; T707-Y711 HydrophobicContact CG2-CD1 4.38Å; T707-Y711 HydrophobicContact CG2-CE1 3.7Å; T707-Y711 HydrophobicContact CG2-CE2 4.14Å; T707-Y711 WeakPolarHBondContact O-CD2 3.23Å; T707-Y711 VanDerWaalsContact O-CG 3.24Å; T707-Y711 PolarHBondContact O-N 3.47Å; T707-L843 HydrophobicContact CG2-CD2 4.41Å
708	A	93.6	Very high	90.9	Very high	2 Å²	2	17.8 Å²	17.8	2%	0.017	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-37	176.4	0	0	0	0	0	112.4	Y588 Q704 D706 I712 I744	Y588-A708 HydrophobicContact CE1-CB 4.09Å; Q704-A708 WeakPolarHBondContact O-CB 3.48Å; Q704-A708 PolarHBondContact O-N 2.66Å; D706-A708 VanDerWaalsContact C-N 3.27Å; D706-A708 PolarHBondContact O-N 2.9Å; D706-A708 VanDerWaalsContact O-N 3.11Å; A708-I712 WeakPolarHBondContact O-CG1 3.2Å; A708-I712 PolarHBondContact O-N 2.23Å; A708-I712 VanDerWaalsContact O-N 3.12Å; A708-I744 HydrophobicContact CB-CD1 4.18Å; A708-I744 HydrophobicContact CB-CG1 4.41Å
709	Y	94.4	Very high	91	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-74.5	-37.6	175.7	-82.2	-88.3	0	0	0	111.8	L581 S585 Y588 M686 E687 M690 D706 T707 Y711 I712 L713	L581-Y709 HydrophobicContact CD1-CE1 4.18Å; S585-Y709 WeakPolarHBondContact CA-OH 3.45Å; S585-Y709 VanDerWaalsContact CB-OH 3.31Å; S585-Y709 WeakPolarHBondContact CB-OH 3.39Å; S585-Y709 PolarHBondContact OG-OH 3.22Å; Y588-Y709 AromaticContact CD1-CE2 3.9Å; Y588-Y709 HydrophobicContact CD1-CE2 3.9Å; Y588-Y709 HydrophobicContact CE1-CE2 4.25Å; M686-Y709 HydrophobicContact CB-CD1 3.78Å; M686-Y709 HydrophobicContact CB-CE1 3.36Å; M686-Y709 HydrophobicContact CG-CE1 4.21Å; E687-Y709 WeakPolarHBondContact OE2-CB 3.26Å; M690-Y709 HydrophobicContact CB-CD2 4.14Å; M690-Y709 HydrophobicContact CB-CE2 4.42Å; M690-Y709 HydrophobicContact CG-CD2 3.77Å; M690-Y709 HydrophobicContact CG-CE2 3.56Å; D706-Y709 PolarHBondContact O-N 3.37Å; T707-Y709 VanDerWaalsContact C-N 3.3Å; T707-Y709 PolarHBondContact O-N 3.36Å; Y709-Y711 VanDerWaalsContact C-N 3.27Å; Y709-Y711 PolarHBondContact O-N 2.99Å; Y709-I712 CarbonylContact O-C 3.58Å; Y709-I712 PolarHBondContact O-N 3.24Å; Y709-I712 VanDerWaalsContact O-N 3.11Å; Y709-L713 VanDerWaalsContact O-CB 3.22Å; Y709-L713 WeakPolarHBondContact O-CB 3.11Å; Y709-L713 PolarHBondContact O-N 2.94Å
710	M	95.1	Very high	91.3	Very high	16 Å²	16	19.1 Å²	19.1	8%	0.079	10%	0.098	C	C	.	.	H	α-helix	trans	-54.9	-42.4	170.9	-62.8	-179.6	-177.1	0	0	112.2	E687 D706 T707 L713 G714 L843 W923	E687-M710 VanDerWaalsContact OE1-CE 3.28Å; E687-M710 WeakPolarHBondContact OE1-CE 3.14Å; E687-M710 WeakPolarHBondContact OE1-CG 3.07Å; E687-M710 PolarHBondContact OE2-N 3.11Å; D706-M710 PolarHBondContact O-N 2.64Å; D706-M710 VanDerWaalsContact OD2-CE 3.22Å; D706-M710 WeakPolarHBondContact OD2-CE 3.49Å; T707-M710 HydrophobicContact CG2-SD 4.43Å; T707-M710 WeakPolarHBondContact O-CB 3.48Å; T707-M710 PolarHBondContact O-N 3.36Å; M710-L713 WeakPolarHBondContact O-CB 3.35Å; M710-L713 PolarHBondContact O-N 2.8Å; M710-G714 PolarHBondContact O-N 3.25Å; M710-L843 HydrophobicContact CB-CD1 3.71Å; M710-L843 HydrophobicContact CB-CD2 4.41Å; M710-L843 HydrophobicContact SD-CD2 3.62Å; M710-W923 HydrophobicContact CE-CH2 3.93Å
711	Y	95.3	Very high	91.7	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-65	-46	175.1	-58.7	-33.3	0	0	0	112.4	T707 Y709 L713 G714 M715 I744 S839 L842 L843	T707-Y711 HydrophobicContact CG2-CD1 4.38Å; T707-Y711 HydrophobicContact CG2-CE1 3.7Å; T707-Y711 HydrophobicContact CG2-CE2 4.14Å; T707-Y711 WeakPolarHBondContact O-CD2 3.23Å; T707-Y711 VanDerWaalsContact O-CG 3.24Å; T707-Y711 PolarHBondContact O-N 3.47Å; Y709-Y711 VanDerWaalsContact C-N 3.27Å; Y709-Y711 PolarHBondContact O-N 2.99Å; Y711-L713 VanDerWaalsContact C-N 3.32Å; Y711-L713 PolarHBondContact O-N 3.23Å; Y711-G714 PolarHBondContact O-N 3.25Å; Y711-M715 WeakPolarHBondContact O-CB 3.1Å; Y711-M715 PolarHBondContact O-N 3Å; Y711-I744 HydrophobicContact CD2-CG1 4.01Å; Y711-S839 VanDerWaalsContact OH-CA 3.22Å; Y711-S839 WeakPolarHBondContact OH-CA 3.46Å; Y711-S839 WeakPolarHBondContact OH-CB 3.4Å; Y711-S839 PolarHBondContact OH-O 3.01Å; Y711-L842 HydrophobicContact CE1-CB 4.37Å; Y711-L842 HydrophobicContact CE1-CD2 4.42Å; Y711-L842 HydrophobicContact CE1-CG 4.14Å; Y711-L842 HydrophobicContact CE2-CD2 4.24Å; Y711-L843 HydrophobicContact CD1-CB 4.49Å; Y711-L843 HydrophobicContact CD1-CD1 3.95Å; Y711-L843 HydrophobicContact CE1-CB 3.86Å; Y711-L843 HydrophobicContact CE1-CD1 4.14Å
712	I	95.9	Very high	92.1	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.036	7%	0.068	C	C	.	.	H	α-helix	trans	-62.6	-41.4	177.6	-70.3	167.1	0	0	0	110.6	L581 A708 Y709 M715 L716 Y737 I744	L581-I712 HydrophobicContact CD1-CG2 3.99Å; A708-I712 WeakPolarHBondContact O-CG1 3.2Å; A708-I712 PolarHBondContact O-N 2.23Å; A708-I712 VanDerWaalsContact O-N 3.12Å; Y709-I712 CarbonylContact O-C 3.58Å; Y709-I712 PolarHBondContact O-N 3.24Å; Y709-I712 VanDerWaalsContact O-N 3.11Å; I712-M715 PolarHBondContact O-N 2.81Å; I712-L716 HydrophobicContact CG2-CD1 3.71Å; I712-L716 HydrophobicContact CG2-CG 4.2Å; I712-L716 WeakPolarHBondContact O-CB 3.33Å; I712-L716 WeakPolarHBondContact O-CG 3.27Å; I712-L716 PolarHBondContact O-N 3.24Å; I712-Y737 HydrophobicContact CG2-CE1 4.21Å; I712-I744 HydrophobicContact CD1-CD1 4.49Å
713	L	95.9	Very high	92.3	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-52.3	176	-159.7	74.2	0	0	0	110.1	A683 L684 Y709 M710 Y711 M715 L716 V717 M931 F935	A683-L713 HydrophobicContact CB-CD1 3.68Å; L684-L713 HydrophobicContact CB-CD1 4.21Å; L684-L713 HydrophobicContact CD1-CD1 4.48Å; L684-L713 HydrophobicContact CD1-CD2 4.42Å; Y709-L713 VanDerWaalsContact O-CB 3.22Å; Y709-L713 WeakPolarHBondContact O-CB 3.11Å; Y709-L713 PolarHBondContact O-N 2.94Å; M710-L713 WeakPolarHBondContact O-CB 3.35Å; M710-L713 PolarHBondContact O-N 2.8Å; Y711-L713 VanDerWaalsContact C-N 3.32Å; Y711-L713 PolarHBondContact O-N 3.23Å; L713-M715 PolarHBondContact O-N 2.95Å; L713-L716 PolarHBondContact O-N 3.4Å; L713-V717 WeakPolarHBondContact O-CG2 3.31Å; L713-V717 PolarHBondContact O-N 3.42Å; L713-M931 HydrophobicContact CD1-CE 4.49Å; L713-M931 HydrophobicContact CD2-CE 3.6Å; L713-M931 HydrophobicContact CD2-CG 4.4Å; L713-M931 HydrophobicContact CD2-SD 4.01Å; L713-M931 HydrophobicContact CG-CE 3.9Å; L713-F935 HydrophobicContact CD1-CZ 3.76Å; L713-F935 HydrophobicContact CG-CZ 4.37Å
714	G	95.5	Very high	92.8	Very high	3 Å²	3	14 Å²	14	3%	0.031	7%	0.07	C	C	.	.	H	α-helix	trans	-58	-45.8	176.8	0	0	0	0	0	112.8	M710 Y711 V717 M718	M710-G714 PolarHBondContact O-N 3.25Å; Y711-G714 PolarHBondContact O-N 3.25Å; G714-V717 PolarHBondContact O-N 3.16Å; G714-M718 WeakPolarHBondContact O-CB 3.41Å; G714-M718 PolarHBondContact O-N 2.87Å
715	M	95.4	Very high	93.1	Very high	15 Å²	15	12.1 Å²	12.1	7%	0.074	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-48.3	175	175.9	-83.1	-73.1	0	0	112	Y711 I712 L713 V717 M718 L719 A736 Y737 M740 F846	Y711-M715 WeakPolarHBondContact O-CB 3.1Å; Y711-M715 PolarHBondContact O-N 3Å; I712-M715 PolarHBondContact O-N 2.81Å; L713-M715 PolarHBondContact O-N 2.95Å; M715-V717 VanDerWaalsContact C-N 3.34Å; M715-V717 PolarHBondContact O-N 3.05Å; M715-M718 PolarHBondContact O-N 2.93Å; M715-L719 HydrophobicContact CG-CD1 4.39Å; M715-L719 HydrophobicContact CG-CG 4.38Å; M715-L719 WeakPolarHBondContact O-CB 3.32Å; M715-L719 WeakPolarHBondContact O-CG 3.46Å; M715-L719 PolarHBondContact O-N 2.77Å; M715-L719 HydrophobicContact SD-CD1 3.39Å; M715-L719 WeakPolarHBondContact SD-CD1 3.43Å; M715-L719 HydrophobicContact SD-CG 3.87Å; M715-A736 HydrophobicContact CE-CB 4.48Å; M715-A736 HydrophobicContact SD-CB 4.28Å; M715-Y737 HydrophobicContact CE-CD1 4.05Å; M715-Y737 HydrophobicContact CE-CE1 3.78Å; M715-M740 HydrophobicContact CB-CE 4.16Å; M715-M740 HydrophobicContact CB-CG 4.25Å; M715-M740 HydrophobicContact CB-SD 3.63Å; M715-M740 HydrophobicContact CE-CG 3.62Å; M715-M740 HydrophobicContact CG-CG 3.95Å; M715-M740 HydrophobicContact CG-SD 3.65Å; M715-F846 HydrophobicContact CB-CE1 4.45Å
716	L	96.9	Very high	93.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-39.1	-179.1	-73.1	171.4	0	0	0	112	Y577 L581 L676 A679 M680 A683 I712 L713 K720	Y577-L716 HydrophobicContact CD1-CD2 3.9Å; L581-L716 HydrophobicContact CD2-CD1 4.24Å; L676-L716 HydrophobicContact CD1-CD2 3.54Å; L676-L716 HydrophobicContact CG-CD2 4.46Å; A679-L716 HydrophobicContact CB-CD1 4.12Å; A679-L716 HydrophobicContact CB-CD2 3.99Å; M680-L716 HydrophobicContact CG-CB 3.95Å; A683-L716 HydrophobicContact CB-CD1 3.76Å; I712-L716 HydrophobicContact CG2-CD1 3.71Å; I712-L716 HydrophobicContact CG2-CG 4.2Å; I712-L716 WeakPolarHBondContact O-CB 3.33Å; I712-L716 WeakPolarHBondContact O-CG 3.27Å; I712-L716 PolarHBondContact O-N 3.24Å; L713-L716 PolarHBondContact O-N 3.4Å; L716-K720 WeakPolarHBondContact O-CB 3.38Å; L716-K720 PolarHBondContact O-N 2.58Å
717	V	96.6	Very high	93.4	Very high	8 Å²	8	10.9 Å²	10.9	5%	0.048	6%	0.055	C	C	.	.	H	α-helix	trans	-66	-46.7	174.8	-178.4	0	0	0	0	110.7	M680 L713 G714 M715 K720 I721 L850 F935 I938	M680-V717 HydrophobicContact CE-CG2 4.12Å; L713-V717 WeakPolarHBondContact O-CG2 3.31Å; L713-V717 PolarHBondContact O-N 3.42Å; G714-V717 PolarHBondContact O-N 3.16Å; M715-V717 VanDerWaalsContact C-N 3.34Å; M715-V717 PolarHBondContact O-N 3.05Å; V717-K720 WeakPolarHBondContact O-CB 3.36Å; V717-K720 PolarHBondContact O-N 3.44Å; V717-I721 HydrophobicContact CG1-CD1 4.12Å; V717-I721 WeakPolarHBondContact O-CG1 3.46Å; V717-I721 PolarHBondContact O-N 3.24Å; V717-L850 HydrophobicContact CB-CD1 4.04Å; V717-L850 HydrophobicContact CB-CD2 4.12Å; V717-L850 HydrophobicContact CG1-CD1 3.51Å; V717-L850 HydrophobicContact CG1-CD2 4.05Å; V717-L850 HydrophobicContact CG1-CG 4.38Å; V717-F935 HydrophobicContact CG2-CD1 4.41Å; V717-F935 HydrophobicContact CG2-CE1 3.62Å; V717-F935 HydrophobicContact CG2-CZ 4.45Å; V717-I938 HydrophobicContact CG1-CD1 3.53Å
718	M	93.6	Very high	93.1	Very high	57 Å²	57	10.9 Å²	10.9	28%	0.281	6%	0.055	S	C	.	.	H	α-helix	trans	-58.2	-51	177.8	-169.9	77.3	175.5	0	0	111.2	G714 M715 K720 I721 Y722 L850 Y853	G714-M718 WeakPolarHBondContact O-CB 3.41Å; G714-M718 PolarHBondContact O-N 2.87Å; M715-M718 PolarHBondContact O-N 2.93Å; M718-K720 PolarHBondContact O-N 2.84Å; M718-I721 PolarHBondContact O-N 2.91Å; M718-Y722 PolarHBondContact O-N 2.86Å; M718-Y722 VanDerWaalsContact O-N 3.07Å; M718-L850 HydrophobicContact SD-CD1 4.46Å; M718-Y853 HydrophobicContact CE-CD1 3.8Å; M718-Y853 HydrophobicContact CE-CG 3.99Å; M718-Y853 HydrophobicContact CG-CD1 4.47Å; M718-Y853 HydrophobicContact SD-CD1 3.54Å; M718-Y853 VanDerWaalsContact SD-CD1 3.54Å; M718-Y853 HydrophobicContact SD-CE1 4.45Å; M718-Y853 HydrophobicContact SD-CG 4.09Å
719	L	94.1	Very high	92.6	Very high	28 Å²	28	13 Å²	13	15%	0.147	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-33.8	174.3	-69.5	-168.8	0	0	0	111.6	Y577 L676 M715 Y722 Q723 A731 A736	Y577-L719 HydrophobicContact CE1-CD1 3.76Å; Y577-L719 WeakPolarHBondContact OH-CD1 3.42Å; L676-L719 HydrophobicContact CD2-CB 4.05Å; M715-L719 HydrophobicContact CG-CD1 4.39Å; M715-L719 HydrophobicContact CG-CG 4.38Å; M715-L719 WeakPolarHBondContact O-CB 3.32Å; M715-L719 WeakPolarHBondContact O-CG 3.46Å; M715-L719 PolarHBondContact O-N 2.77Å; M715-L719 HydrophobicContact SD-CD1 3.39Å; M715-L719 WeakPolarHBondContact SD-CD1 3.43Å; M715-L719 HydrophobicContact SD-CG 3.87Å; L719-Y722 PolarHBondContact O-N 3.29Å; L719-Q723 WeakPolarHBondContact O-CB 3.05Å; L719-Q723 PolarHBondContact O-N 3.24Å; L719-A731 HydrophobicContact CD2-CB 4.48Å; L719-A736 HydrophobicContact CD1-CB 3.93Å
720	K	95.2	Very high	92.2	Very high	9 Å²	9	13.1 Å²	13.1	4%	0.039	7%	0.068	C	C	.	.	H	α-helix	trans	-71.2	-41.1	-179.6	-178.2	56.8	-174.2	149.5	0	113	L676 F677 M680 L716 V717 M718 Y722 Q723 T724 I938	L676-K720 HydrophobicContact CB-CD 4.31Å; L676-K720 HydrophobicContact CD2-CB 3.78Å; L676-K720 HydrophobicContact CD2-CD 4Å; L676-K720 HydrophobicContact CG-CB 4.39Å; L676-K720 HydrophobicContact CG-CD 4.47Å; F677-K720 HydrophobicContact CD1-CD 4.44Å; F677-K720 HydrophobicContact CD1-CG 4.39Å; F677-K720 HydrophobicContact CE1-CD 4.22Å; F677-K720 VanDerWaalsContact CE1-CE 3.47Å; F677-K720 HydrophobicContact CE1-CG 4.04Å; F677-K720 HydrophobicContact CZ-CD 4.3Å; F677-K720 HydrophobicContact CZ-CG 4.46Å; M680-K720 HydrophobicContact SD-CB 3.73Å; M680-K720 HydrophobicContact SD-CG 3.72Å; L716-K720 WeakPolarHBondContact O-CB 3.38Å; L716-K720 PolarHBondContact O-N 2.58Å; V717-K720 WeakPolarHBondContact O-CB 3.36Å; V717-K720 PolarHBondContact O-N 3.44Å; M718-K720 PolarHBondContact O-N 2.84Å; K720-Y722 VanDerWaalsContact C-N 3.31Å; K720-Q723 VanDerWaalsContact CD-OE1 3.29Å; K720-T724 PolarHBondContact O-N 3.27Å; K720-T724 PolarHBondContact O-OG1 3.37Å; K720-I938 HydrophobicContact CG-CG2 3.76Å
721	I	93.1	Very high	91.9	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-44.3	173.3	-61.6	167.1	0	0	0	108.9	V717 M718 T724 L850 Y853 T854 Y857 I938	V717-I721 HydrophobicContact CG1-CD1 4.12Å; V717-I721 WeakPolarHBondContact O-CG1 3.46Å; V717-I721 PolarHBondContact O-N 3.24Å; M718-I721 PolarHBondContact O-N 2.91Å; I721-T724 WeakPolarHBondContact O-CB 3.04Å; I721-T724 PolarHBondContact O-N 3.5Å; I721-L850 HydrophobicContact CD1-CD1 3.9Å; I721-Y853 HydrophobicContact CB-CD1 3.97Å; I721-Y853 HydrophobicContact CB-CE1 3.61Å; I721-Y853 HydrophobicContact CD1-CD1 4.48Å; I721-Y853 HydrophobicContact CG2-CD1 3.75Å; I721-Y853 HydrophobicContact CG2-CE1 3.37Å; I721-Y853 HydrophobicContact CG2-CE2 4.5Å; I721-Y853 HydrophobicContact CG2-CG 4.48Å; I721-T854 WeakPolarHBondContact CD1-OG1 3.24Å; I721-Y857 HydrophobicContact CG2-CD2 3.65Å; I721-Y857 HydrophobicContact CG2-CE2 4.34Å; I721-Y857 HydrophobicContact CG2-CG 3.96Å; I721-I938 HydrophobicContact CD1-CD1 4.3Å; I721-I938 HydrophobicContact CG1-CD1 4.15Å; I721-I938 HydrophobicContact CG1-CG1 4.44Å
722	Y	90.5	Very high	91.7	Very high	33 Å²	33	15.9 Å²	15.9	13%	0.129	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-48.6	177.9	-171.6	-101	0	0	0	113.4	M718 L719 K720 T724 R725 H726 V729 N730 Y853	M718-Y722 PolarHBondContact O-N 2.86Å; M718-Y722 VanDerWaalsContact O-N 3.07Å; L719-Y722 PolarHBondContact O-N 3.29Å; K720-Y722 VanDerWaalsContact C-N 3.31Å; Y722-T724 PolarHBondContact O-N 2.84Å; Y722-R725 PolarHBondContact O-N 3.31Å; Y722-H726 HydrophobicContact CD1-CB 3.96Å; Y722-H726 AromaticContact CD2-ND1 3.75Å; Y722-H726 HydrophobicContact CE1-CB 3.51Å; Y722-H726 HydrophobicContact CE2-CB 4.2Å; Y722-H726 AromaticContact CE2-CE1 3.93Å; Y722-H726 AromaticContact CE2-CG 3.76Å; Y722-H726 AromaticContact CE2-ND1 3.54Å; Y722-H726 HydrophobicContact CG-CB 4.47Å; Y722-H726 AromaticContact CZ-CG 3.6Å; Y722-H726 AromaticContact CZ-ND1 3.89Å; Y722-H726 WeakPolarHBondContact O-CB 3.42Å; Y722-H726 PolarHBondContact O-N 2.74Å; Y722-H726 PolarHBondContact O-ND1 2.92Å; Y722-V729 HydrophobicContact CE1-CG1 4.39Å; Y722-N730 HydrophobicContact CD1-CB 4.41Å; Y722-Y853 VanDerWaalsContact CA-OH 3.27Å; Y722-Y853 WeakPolarHBondContact CA-OH 3.3Å
723	Q	91.7	Very high	91.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-53.8	-27.5	177.7	-165.1	-133.6	-38	0	0	113.3	Y574 L719 K720 R725	Y574-Q723 HydrophobicContact CE1-CG 3.84Å; Y574-Q723 HydrophobicContact CE2-CG 3.99Å; Y574-Q723 VanDerWaalsContact CZ-CG 3.48Å; Y574-Q723 WeakPolarHBondContact OH-CG 3.45Å; L719-Q723 WeakPolarHBondContact O-CB 3.05Å; L719-Q723 PolarHBondContact O-N 3.24Å; K720-Q723 VanDerWaalsContact CD-OE1 3.29Å; Q723-R725 VanDerWaalsContact C-N 3.34Å; Q723-R725 PolarHBondContact O-N 2.91Å
724	T	91.1	Very high	91.5	Very high	13 Å²	13	20.2 Å²	20.2	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-70.8	-28	-174.6	-60.3	0	0	0	0	112.2	I670 K720 I721 Y722 Y857 D942	I670-T724 HydrophobicContact CD1-CG2 3.71Å; I670-T724 HydrophobicContact CG2-CG2 4.1Å; I670-T724 WeakPolarHBondContact CG2-O 3.36Å; K720-T724 PolarHBondContact O-N 3.27Å; K720-T724 PolarHBondContact O-OG1 3.37Å; I721-T724 WeakPolarHBondContact O-CB 3.04Å; I721-T724 PolarHBondContact O-N 3.5Å; Y722-T724 PolarHBondContact O-N 2.84Å; T724-Y857 VanDerWaalsContact CG2-OH 3.26Å; T724-Y857 WeakPolarHBondContact CG2-OH 3.36Å; T724-D942 WeakPolarHBondContact CG2-OD2 3.41Å
725	R	89.6	Confident	91.3	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-112	-17.3	171.6	-59.6	-66.4	171.4	136.2	-2.6	113.9	Y722 Q723 P727 Y857 E866 D942 L945 F954 V955 F956	Y722-R725 PolarHBondContact O-N 3.31Å; Q723-R725 VanDerWaalsContact C-N 3.34Å; Q723-R725 PolarHBondContact O-N 2.91Å; R725-P727 WeakPolarHBondContact O-CD 3.27Å; R725-Y857 HydrophobicContact CG-CE2 3.86Å; R725-Y857 PolarHBondContact NE-OH 2.9Å; R725-Y857 PolarHBondContact NH2-OH 2.77Å; R725-E866 IonicContact CZ-OE1 3.53Å; R725-E866 IonicContact CZ-OE2 2.72Å; R725-E866 IonicContact NH1-OE1 2.77Å; R725-E866 PolarHBondContact NH1-OE1 3.19Å; R725-E866 IonicContact NH1-OE2 3.44Å; R725-E866 IonicContact NH2-OE1 3.83Å; R725-E866 PolarHBondContact NH2-OE1 3.33Å; R725-E866 IonicContact NH2-OE2 3.93Å; R725-E866 PolarHBondContact NH2-OE2 2.91Å; R725-D942 IonicContact CZ-OD1 3.3Å; R725-D942 IonicContact NH2-OD1 3.81Å; R725-D942 PolarHBondContact NH2-OD1 3.17Å; R725-L945 VanDerWaalsContact NH2-CD1 3.32Å; R725-F954 PolarHBondContact NH1-O 3.39Å; R725-V955 HydrophobicContact CB-CG1 4.29Å; R725-F956 HydrophobicContact CG-CE2 4.45Å; R725-F956 HydrophobicContact CG-CZ 4.47Å
726	H	89	Confident	91.2	Very high	5 Å²	5	22.4 Å²	22.4	2%	0.023	13%	0.128	C	C	.	.			trans	-122.2	60	-177.1	-54.4	89.3	0	0	0	113	Y722 D728 V729 N730 V955 F956	Y722-H726 HydrophobicContact CD1-CB 3.96Å; Y722-H726 AromaticContact CD2-ND1 3.75Å; Y722-H726 HydrophobicContact CE1-CB 3.51Å; Y722-H726 HydrophobicContact CE2-CB 4.2Å; Y722-H726 AromaticContact CE2-CE1 3.93Å; Y722-H726 AromaticContact CE2-CG 3.76Å; Y722-H726 AromaticContact CE2-ND1 3.54Å; Y722-H726 HydrophobicContact CG-CB 4.47Å; Y722-H726 AromaticContact CZ-CG 3.6Å; Y722-H726 AromaticContact CZ-ND1 3.89Å; Y722-H726 WeakPolarHBondContact O-CB 3.42Å; Y722-H726 PolarHBondContact O-N 2.74Å; Y722-H726 PolarHBondContact O-ND1 2.92Å; H726-D728 PolarHBondContact O-N 3.34Å; H726-V729 HydrophobicContact CB-CB 4.44Å; H726-V729 PolarHBondContact O-N 2.98Å; H726-N730 PolarHBondContact O-N 3.49Å; H726-V955 VanDerWaalsContact NE2-CG1 3.26Å; H726-V955 WeakPolarHBondContact NE2-CG1 3.38Å; H726-F956 PolarHBondContact CE1-O 2.92Å
727	P	86.4	Confident	91.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.5	-168.1	25.2	-30.7	0	0	0	114.5	L562 L570 Y574 P671 R725	L562-P727 WeakPolarHBondContact O-CD 3.41Å; L562-P727 WeakPolarHBondContact O-CG 3.29Å; L570-P727 HydrophobicContact CD2-CB 4.23Å; L570-P727 WeakPolarHBondContact CD2-O 3.4Å; Y574-P727 PolarHBondContact OH-O 2.79Å; P671-P727 HydrophobicContact CB-CB 4.41Å; P671-P727 HydrophobicContact CG-CB 4.34Å; P671-P727 HydrophobicContact CG-CG 3.95Å; R725-P727 WeakPolarHBondContact O-CD 3.27Å
728	D	85.4	Confident	91.1	Very high	14 Å²	14	29.5 Å²	29.5	8%	0.075	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-23.4	179.3	-75.6	-3.5	0	0	0	114.6	L562 S563 K564 K565 H726	L562-D728 VanDerWaalsContact O-CB 3.25Å; L562-D728 WeakPolarHBondContact O-CB 3.33Å; L562-D728 PolarHBondContact O-N 2.77Å; S563-D728 WeakPolarHBondContact CA-OD2 3.4Å; K564-D728 WeakPolarHBondContact CA-OD2 3.33Å; K564-D728 PolarHBondContact N-OD2 3.2Å; K565-D728 WeakPolarHBondContact CB-OD1 3.03Å; K565-D728 HydrophobicContact CD-CB 3.94Å; K565-D728 HydrophobicContact CG-CB 4.28Å; K565-D728 PolarHBondContact N-OD2 2.94Å; K565-D728 PolarHBondContact NZ-O 3.34Å; H726-D728 PolarHBondContact O-N 3.34Å
729	V	84	Confident	91	Very high	47 Å²	47	30.8 Å²	30.8	29%	0.285	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-25.5	-170.7	174	0	0	0	0	112.7	L562 Y722 H726 M780	L562-V729 HydrophobicContact CD2-CG2 4.09Å; Y722-V729 HydrophobicContact CE1-CG1 4.39Å; H726-V729 HydrophobicContact CB-CB 4.44Å; H726-V729 PolarHBondContact O-N 2.98Å; V729-M780 VanDerWaalsContact CG1-O 3.28Å; V729-M780 WeakPolarHBondContact CG1-O 3.46Å
730	N	86.5	Confident	91	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.167	C	C	.	.	S	Bend	trans	-51.9	150.6	-173.8	-162.9	17.2	0	0	0	114.1	K573 Y574 Y722 H726	K573-N730 PolarHBondContact NZ-O 3.37Å; Y574-N730 HydrophobicContact CE1-CB 4.27Å; Y574-N730 VanDerWaalsContact OH-CB 3.24Å; Y574-N730 WeakPolarHBondContact OH-CB 3.35Å; Y722-N730 HydrophobicContact CD1-CB 4.41Å; H726-N730 PolarHBondContact O-N 3.49Å
731	A	88.2	Confident	91	Very high	36 Å²	36	31.9 Å²	31.9	30%	0.298	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-52.3	155.6	-178.2	0	0	0	0	0	113.8	K573 Y577 L719 A736	K573-A731 WeakPolarHBondContact CE-O 3.47Å; Y577-A731 PolarHBondContact OH-O 2.91Å; L719-A731 HydrophobicContact CD2-CB 4.48Å; A731-A736 HydrophobicContact CB-CB 4.44Å
732	S	91.2	Very high	91	Very high	40 Å²	40	35.1 Å²	35.1	28%	0.28	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-77.5	154	168.8	82.2	0	0	0	0	110	Y577 H734 S735 A736	Y577-S732 PolarHBondContact OH-O 3.18Å; S732-H734 PolarHBondContact O-N 3.39Å; S732-S735 PolarHBondContact N-OG 3.19Å; S732-S735 PolarHBondContact O-N 2.8Å; S732-S735 PolarHBondContact O-OG 3.14Å; S732-S735 PolarHBondContact OG-N 2.89Å; S732-S735 PolarHBondContact OG-OG 3.09Å; S732-A736 WeakPolarHBondContact O-CB 3.29Å; S732-A736 PolarHBondContact O-N 3.44Å
733	A	93.7	Very high	91.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-39	176.2	0	0	0	0	0	111.2	L576 Y577 Y580 Y737	L576-A733 HydrophobicContact CB-CB 3.83Å; Y577-A733 HydrophobicContact CD1-CB 4.18Å; Y577-A733 HydrophobicContact CD2-CB 3.74Å; Y577-A733 HydrophobicContact CE1-CB 4.31Å; Y577-A733 HydrophobicContact CE2-CB 3.86Å; Y577-A733 HydrophobicContact CG-CB 3.91Å; Y580-A733 HydrophobicContact CD2-CB 3.71Å; Y580-A733 HydrophobicContact CE2-CB 3.93Å; A733-Y737 WeakPolarHBondContact O-CD2 3.32Å; A733-Y737 PolarHBondContact O-N 3Å
734	H	94.3	Very high	91.3	Very high	103 Å²	103	35.5 Å²	35.5	48%	0.477	21%	0.211	S	C	.	.	H	α-helix	trans	-59.2	-54.1	175.5	-55.6	-93.5	0	0	0	111.9	Y580 S732 A736 Y737 M738	Y580-H734 AromaticContact CE2-CD2 3.99Å; Y580-H734 AromaticContact CE2-CE1 3.54Å; Y580-H734 AromaticContact CE2-CG 3.98Å; Y580-H734 AromaticContact CE2-ND1 3.7Å; Y580-H734 AromaticContact CE2-NE2 3.69Å; Y580-H734 AromaticContact CZ-CE1 3.54Å; Y580-H734 AromaticContact CZ-NE2 3.84Å; Y580-H734 PolarHBondContact OH-CE1 3.07Å; Y580-H734 PolarHBondContact OH-NE2 3.41Å; Y580-H734 VanDerWaalsContact OH-NE2 3.12Å; S732-H734 PolarHBondContact O-N 3.39Å; H734-A736 PolarHBondContact O-N 3.16Å; H734-Y737 PolarHBondContact O-N 2.93Å; H734-M738 WeakPolarHBondContact O-CB 3.35Å; H734-M738 VanDerWaalsContact O-CG 3.23Å; H734-M738 WeakPolarHBondContact O-CG 3.44Å; H734-M738 PolarHBondContact O-N 3.39Å
735	S	91.5	Very high	91.4	Very high	55 Å²	55	41 Å²	41	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-66.6	-38.9	-176.5	65.3	0	0	0	0	111.6	S732 M738 V739	S732-S735 PolarHBondContact N-OG 3.19Å; S732-S735 PolarHBondContact O-N 2.8Å; S732-S735 PolarHBondContact O-OG 3.14Å; S732-S735 PolarHBondContact OG-N 2.89Å; S732-S735 PolarHBondContact OG-OG 3.09Å; S735-M738 PolarHBondContact O-N 3.17Å; S735-V739 WeakPolarHBondContact O-CG2 3.46Å; S735-V739 PolarHBondContact O-N 2.75Å
736	A	93.8	Very high	91.6	Very high	9 Å²	9	42.3 Å²	42.3	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-51.2	176.1	0	0	0	0	0	112.1	Y577 M715 L719 A731 S732 H734 V739 M740	Y577-A736 HydrophobicContact CE1-CB 3.75Å; M715-A736 HydrophobicContact CE-CB 4.48Å; M715-A736 HydrophobicContact SD-CB 4.28Å; L719-A736 HydrophobicContact CD1-CB 3.93Å; A731-A736 HydrophobicContact CB-CB 4.44Å; S732-A736 WeakPolarHBondContact O-CB 3.29Å; S732-A736 PolarHBondContact O-N 3.44Å; H734-A736 PolarHBondContact O-N 3.16Å; A736-V739 PolarHBondContact O-N 3.22Å; A736-M740 WeakPolarHBondContact O-CG 3.33Å; A736-M740 PolarHBondContact O-N 2.78Å
737	Y	95.7	Very high	91.8	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-70.8	-30	179.5	-71.2	-60.1	0	0	0	113.5	Y577 Y580 L581 I584 I712 M715 A733 H734 M740 A741	Y577-Y737 AromaticContact CD1-CE2 3.92Å; Y577-Y737 HydrophobicContact CD1-CE2 3.92Å; Y577-Y737 PolarHBondContact O-OH 3.45Å; Y580-Y737 HydrophobicContact CD2-CD2 4.4Å; L581-Y737 HydrophobicContact CD1-CE1 4.47Å; I584-Y737 HydrophobicContact CD1-CD1 3.6Å; I584-Y737 HydrophobicContact CD1-CD2 4.14Å; I584-Y737 HydrophobicContact CD1-CE1 4.03Å; I584-Y737 HydrophobicContact CD1-CG 3.69Å; I712-Y737 HydrophobicContact CG2-CE1 4.21Å; M715-Y737 HydrophobicContact CE-CD1 4.05Å; M715-Y737 HydrophobicContact CE-CE1 3.78Å; A733-Y737 WeakPolarHBondContact O-CD2 3.32Å; A733-Y737 PolarHBondContact O-N 3Å; H734-Y737 PolarHBondContact O-N 2.93Å; Y737-M740 PolarHBondContact O-N 2.96Å; Y737-A741 PolarHBondContact O-N 3.28Å
738	M	94.3	Very high	92	Very high	138 Å²	138	44 Å²	44	68%	0.68	25%	0.252	S	S	*	.	H	α-helix	trans	-64.8	-43.3	172.1	-74.5	-65.7	-174	0	0	112	H734 S735 M740 A741 V742	H734-M738 WeakPolarHBondContact O-CB 3.35Å; H734-M738 VanDerWaalsContact O-CG 3.23Å; H734-M738 WeakPolarHBondContact O-CG 3.44Å; H734-M738 PolarHBondContact O-N 3.39Å; S735-M738 PolarHBondContact O-N 3.17Å; M738-M740 VanDerWaalsContact C-N 3.32Å; M738-M740 PolarHBondContact O-N 3.48Å; M738-A741 PolarHBondContact O-N 3.19Å; M738-V742 PolarHBondContact O-N 3.27Å; M738-V742 VanDerWaalsContact O-N 3.14Å
739	V	92.8	Very high	92.3	Very high	84 Å²	84	45.7 Å²	45.7	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-42.7	172.7	171.3	0	0	0	0	110.5	S735 A736 A741 V742 V743	S735-V739 WeakPolarHBondContact O-CG2 3.46Å; S735-V739 PolarHBondContact O-N 2.75Å; A736-V739 PolarHBondContact O-N 3.22Å; V739-A741 VanDerWaalsContact C-N 3.34Å; V739-A741 PolarHBondContact O-N 3.5Å; V739-V742 PolarHBondContact O-N 3.21Å; V739-V743 HydrophobicContact CG1-CG2 4.44Å; V739-V743 WeakPolarHBondContact O-CG2 3.49Å; V739-V743 PolarHBondContact O-N 3.07Å
740	M	93.8	Very high	92.6	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-37.4	175.6	-65.2	-44.5	-62.8	0	0	113	M715 A736 Y737 M738 V742 V743 I744 F846	M715-M740 HydrophobicContact CB-CE 4.16Å; M715-M740 HydrophobicContact CB-CG 4.25Å; M715-M740 HydrophobicContact CB-SD 3.63Å; M715-M740 HydrophobicContact CE-CG 3.62Å; M715-M740 HydrophobicContact CG-CG 3.95Å; M715-M740 HydrophobicContact CG-SD 3.65Å; A736-M740 WeakPolarHBondContact O-CG 3.33Å; A736-M740 PolarHBondContact O-N 2.78Å; Y737-M740 PolarHBondContact O-N 2.96Å; M738-M740 VanDerWaalsContact C-N 3.32Å; M738-M740 PolarHBondContact O-N 3.48Å; M740-V742 VanDerWaalsContact C-N 3.33Å; M740-V742 PolarHBondContact O-N 3.43Å; M740-V743 HydrophobicContact CE-CG1 4.33Å; M740-V743 PolarHBondContact O-N 3.42Å; M740-I744 HydrophobicContact CB-CD1 4.45Å; M740-I744 VanDerWaalsContact O-CB 3.24Å; M740-I744 WeakPolarHBondContact O-CB 3.39Å; M740-I744 WeakPolarHBondContact O-CD1 3.46Å; M740-I744 WeakPolarHBondContact O-CG1 3.49Å; M740-I744 PolarHBondContact O-N 2.62Å; M740-F846 HydrophobicContact CE-CE1 4.01Å; M740-F846 HydrophobicContact CE-CZ 3.93Å; M740-F846 HydrophobicContact SD-CE1 4.19Å; M740-F846 HydrophobicContact SD-CZ 4.21Å
741	A	94.4	Very high	92.8	Very high	53 Å²	53	44.4 Å²	44.4	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-40.9	175	0	0	0	0	0	111.9	Y737 M738 V739 I744 F745	Y737-A741 PolarHBondContact O-N 3.28Å; M738-A741 PolarHBondContact O-N 3.19Å; V739-A741 VanDerWaalsContact C-N 3.34Å; V739-A741 PolarHBondContact O-N 3.5Å; A741-I744 PolarHBondContact O-N 3.4Å; A741-F745 VanDerWaalsContact O-CB 3.31Å; A741-F745 WeakPolarHBondContact O-CB 3.31Å; A741-F745 PolarHBondContact O-N 3.27Å
742	V	94.4	Very high	92.7	Very high	76 Å²	76	47 Å²	47	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-43.7	174.1	176.3	0	0	0	0	111.5	M738 V739 M740 F745 L746	M738-V742 PolarHBondContact O-N 3.27Å; M738-V742 VanDerWaalsContact O-N 3.14Å; V739-V742 PolarHBondContact O-N 3.21Å; M740-V742 VanDerWaalsContact C-N 3.33Å; M740-V742 PolarHBondContact O-N 3.43Å; V742-F745 PolarHBondContact O-N 3.47Å; V742-L746 HydrophobicContact CG1-CD1 4.29Å; V742-L746 WeakPolarHBondContact O-CG 3.38Å; V742-L746 PolarHBondContact O-N 2.97Å
743	V	94.2	Very high	92.6	Very high	13 Å²	13	52.4 Å²	52.4	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-44.3	176.1	170	0	0	0	0	111.4	V739 M740 F745 L746 G747 L842 F846	V739-V743 HydrophobicContact CG1-CG2 4.44Å; V739-V743 WeakPolarHBondContact O-CG2 3.49Å; V739-V743 PolarHBondContact O-N 3.07Å; M740-V743 HydrophobicContact CE-CG1 4.33Å; M740-V743 PolarHBondContact O-N 3.42Å; V743-F745 VanDerWaalsContact C-N 3.35Å; V743-L746 PolarHBondContact O-N 3.27Å; V743-G747 PolarHBondContact O-N 3.11Å; V743-L842 HydrophobicContact CG1-CD1 4.44Å; V743-L842 HydrophobicContact CG1-CD2 3.9Å; V743-L842 HydrophobicContact CG1-CG 4.39Å; V743-F846 HydrophobicContact CG1-CE2 3.71Å; V743-F846 HydrophobicContact CG1-CZ 3.89Å; V743-F846 HydrophobicContact CG2-CZ 4.36Å
744	I	93.4	Very high	92.2	Very high	29 Å²	29	54 Å²	54	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-37.9	178.3	-74.1	167.3	0	0	0	111.1	Q704 A708 Y711 I712 M740 A741 G747 V748	Q704-I744 PolarHBondContact NE2-O 3.25Å; A708-I744 HydrophobicContact CB-CD1 4.18Å; A708-I744 HydrophobicContact CB-CG1 4.41Å; Y711-I744 HydrophobicContact CD2-CG1 4.01Å; I712-I744 HydrophobicContact CD1-CD1 4.49Å; M740-I744 HydrophobicContact CB-CD1 4.45Å; M740-I744 VanDerWaalsContact O-CB 3.24Å; M740-I744 WeakPolarHBondContact O-CB 3.39Å; M740-I744 WeakPolarHBondContact O-CD1 3.46Å; M740-I744 WeakPolarHBondContact O-CG1 3.49Å; M740-I744 PolarHBondContact O-N 2.62Å; A741-I744 PolarHBondContact O-N 3.4Å; I744-G747 PolarHBondContact O-N 3.45Å; I744-V748 PolarHBondContact O-N 3.14Å
745	F	93.8	Very high	91.9	Very high	127 Å²	127	53.2 Å²	53.2	56%	0.557	29%	0.293	S	S	*	.	H	α-helix	trans	-68.1	-43.3	174.1	178.4	-110.9	0	0	0	112.5	A741 V742 V743 G747 V748 L749	A741-F745 VanDerWaalsContact O-CB 3.31Å; A741-F745 WeakPolarHBondContact O-CB 3.31Å; A741-F745 PolarHBondContact O-N 3.27Å; V742-F745 PolarHBondContact O-N 3.47Å; V743-F745 VanDerWaalsContact C-N 3.35Å; F745-G747 PolarHBondContact O-N 2.9Å; F745-V748 PolarHBondContact O-N 2.69Å; F745-V748 VanDerWaalsContact O-N 3.15Å; F745-L749 HydrophobicContact CD1-CD1 4.03Å; F745-L749 HydrophobicContact CE1-CD1 3.49Å; F745-L749 VanDerWaalsContact CE1-CD1 3.49Å; F745-L749 HydrophobicContact CE1-CG 4.15Å; F745-L749 HydrophobicContact CE2-CG 4.41Å; F745-L749 HydrophobicContact CZ-CD1 3.79Å; F745-L749 HydrophobicContact CZ-CD2 4.24Å; F745-L749 HydrophobicContact CZ-CG 4.09Å; F745-L749 PolarHBondContact O-N 3.2Å
746	L	93.4	Very high	91.9	Very high	30 Å²	30	56.3 Å²	56.3	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-35.6	171.3	-72.6	171.9	0	0	0	111.7	V742 V743 L749 G750 F765 F838	V742-L746 HydrophobicContact CG1-CD1 4.29Å; V742-L746 WeakPolarHBondContact O-CG 3.38Å; V742-L746 PolarHBondContact O-N 2.97Å; V743-L746 PolarHBondContact O-N 3.27Å; L746-L749 PolarHBondContact O-N 3.01Å; L746-G750 PolarHBondContact O-N 3.06Å; L746-F765 HydrophobicContact CD1-CD1 3.94Å; L746-F765 HydrophobicContact CD1-CE1 3.54Å; L746-F765 HydrophobicContact CD1-CZ 4.17Å; L746-F838 VanDerWaalsContact O-CE1 3.29Å; L746-F838 WeakPolarHBondContact O-CE1 3.34Å
747	G	92	Very high	91.8	Very high	2 Å²	2	61.2 Å²	61.2	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-53.5	-51.1	170.6	0	0	0	0	0	113	V743 I744 F745 G750 V751	V743-G747 PolarHBondContact O-N 3.11Å; I744-G747 PolarHBondContact O-N 3.45Å; F745-G747 PolarHBondContact O-N 2.9Å; G747-G750 PolarHBondContact O-N 3.19Å; G747-V751 PolarHBondContact O-N 3.19Å
748	V	91.2	Very high	91.8	Very high	40 Å²	40	61.6 Å²	61.6	24%	0.242	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-47.1	177.8	177.7	0	0	0	0	111.5	Q704 I744 F745 G750 V751 L752	Q704-V748 HydrophobicContact CG-CG2 4.34Å; I744-V748 PolarHBondContact O-N 3.14Å; F745-V748 PolarHBondContact O-N 2.69Å; F745-V748 VanDerWaalsContact O-N 3.15Å; V748-G750 VanDerWaalsContact C-N 3.27Å; V748-G750 PolarHBondContact O-N 3.42Å; V748-V751 PolarHBondContact O-N 2.97Å; V748-L752 HydrophobicContact CG1-CD1 3.64Å; V748-L752 HydrophobicContact CG1-CG 4.2Å; V748-L752 WeakPolarHBondContact O-CB 2.98Å; V748-L752 WeakPolarHBondContact O-CG 3.34Å; V748-L752 PolarHBondContact O-N 2.86Å
749	L	91.7	Very high	91.8	Very high	49 Å²	49	55.1 Å²	55.1	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-36.8	178.6	-69.3	-177.3	0	0	0	112.2	F745 L746 Y753 F758	F745-L749 HydrophobicContact CD1-CD1 4.03Å; F745-L749 HydrophobicContact CE1-CD1 3.49Å; F745-L749 VanDerWaalsContact CE1-CD1 3.49Å; F745-L749 HydrophobicContact CE1-CG 4.15Å; F745-L749 HydrophobicContact CE2-CG 4.41Å; F745-L749 HydrophobicContact CZ-CD1 3.79Å; F745-L749 HydrophobicContact CZ-CD2 4.24Å; F745-L749 HydrophobicContact CZ-CG 4.09Å; F745-L749 PolarHBondContact O-N 3.2Å; L746-L749 PolarHBondContact O-N 3.01Å; L749-Y753 HydrophobicContact CD2-CD2 3.91Å; L749-Y753 HydrophobicContact CD2-CE2 4.31Å; L749-Y753 CarbonylContact O-C 3.55Å; L749-Y753 VanDerWaalsContact O-C 3.31Å; L749-Y753 VanDerWaalsContact O-CA 3.26Å; L749-Y753 WeakPolarHBondContact O-CA 3.41Å; L749-Y753 WeakPolarHBondContact O-CB 3.2Å; L749-Y753 PolarHBondContact O-N 3.49Å; L749-F758 HydrophobicContact CB-CD2 4.28Å; L749-F758 HydrophobicContact CB-CE2 3.77Å
750	G	91.3	Very high	91.8	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-71.8	-32.6	179.1	0	0	0	0	0	114.3	L746 G747 V748 G754	L746-G750 PolarHBondContact O-N 3.06Å; G747-G750 PolarHBondContact O-N 3.19Å; V748-G750 VanDerWaalsContact C-N 3.27Å; V748-G750 PolarHBondContact O-N 3.42Å; G750-G754 WeakPolarHBondContact O-CA 3.3Å; G750-G754 PolarHBondContact O-N 3.36Å
751	V	89.3	Confident	91.9	Very high	19 Å²	19	59.5 Å²	59.5	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-78.6	-42.4	175.2	175.7	0	0	0	0	111.9	F703 G747 V748 F838 S839 W897	F703-V751 HydrophobicContact CD1-CG1 4.24Å; F703-V751 HydrophobicContact CE1-CB 3.9Å; F703-V751 HydrophobicContact CE1-CG1 3.68Å; F703-V751 HydrophobicContact CE1-CG2 4.02Å; F703-V751 HydrophobicContact CE2-CG2 4.07Å; F703-V751 HydrophobicContact CZ-CB 3.88Å; F703-V751 HydrophobicContact CZ-CG1 4.17Å; F703-V751 HydrophobicContact CZ-CG2 3.65Å; G747-V751 PolarHBondContact O-N 3.19Å; V748-V751 PolarHBondContact O-N 2.97Å; V751-F838 HydrophobicContact CG2-CB 4.26Å; V751-S839 WeakPolarHBondContact CG2-OG 3.5Å; V751-W897 HydrophobicContact CG1-CH2 3.85Å; V751-W897 HydrophobicContact CG1-CZ3 3.88Å; V751-W897 HydrophobicContact CG2-CH2 4.14Å
752	L	87.5	Confident	91.9	Very high	91 Å²	91	57.5 Å²	57.5	48%	0.476	30%	0.296	S	S	.	.	H	α-helix	trans	-81.1	-36.1	-177.9	-63.1	-177.9	0	0	0	113.5	V748	V748-L752 HydrophobicContact CG1-CD1 3.64Å; V748-L752 HydrophobicContact CG1-CG 4.2Å; V748-L752 WeakPolarHBondContact O-CB 2.98Å; V748-L752 WeakPolarHBondContact O-CG 3.34Å; V748-L752 PolarHBondContact O-N 2.86Å
753	Y	88.1	Confident	91.9	Very high	154 Å²	154	54.6 Å²	54.6	60%	0.604	28%	0.278	S	S	*	.	S	Bend	trans	-128.9	35	-172.5	-55.4	-71.4	0	0	0	112.5	L749 N755 F758	L749-Y753 HydrophobicContact CD2-CD2 3.91Å; L749-Y753 HydrophobicContact CD2-CE2 4.31Å; L749-Y753 CarbonylContact O-C 3.55Å; L749-Y753 VanDerWaalsContact O-C 3.31Å; L749-Y753 VanDerWaalsContact O-CA 3.26Å; L749-Y753 WeakPolarHBondContact O-CA 3.41Å; L749-Y753 WeakPolarHBondContact O-CB 3.2Å; L749-Y753 PolarHBondContact O-N 3.49Å; Y753-N755 PolarHBondContact O-N 3.37Å; Y753-F758 WeakPolarHBondContact O-CB 3.36Å
754	G	84.7	Confident	91.9	Very high	35 Å²	35	58.5 Å²	58.5	36%	0.361	30%	0.298	S	S	.	.			trans	-65.1	39.1	-179.1	0	0	0	0	0	116.6	G750	G750-G754 WeakPolarHBondContact O-CA 3.3Å; G750-G754 PolarHBondContact O-N 3.36Å
755	N	88.9	Confident	91.9	Very high	86 Å²	86	61 Å²	61	46%	0.46	31%	0.307	S	S	.	.			trans	-72.5	172.7	177.3	73.6	29.9	0	0	0	112	Y753 I757 F758 W759	Y753-N755 PolarHBondContact O-N 3.37Å; N755-I757 VanDerWaalsContact C-N 3.25Å; N755-I757 PolarHBondContact O-N 3.37Å; N755-I757 WeakPolarHBondContact OD1-CA 3.47Å; N755-I757 WeakPolarHBondContact OD1-CB 3.02Å; N755-I757 PolarHBondContact OD1-N 2.68Å; N755-F758 PolarHBondContact O-N 3.06Å; N755-F758 PolarHBondContact OD1-N 2.92Å; N755-W759 PolarHBondContact O-N 3.46Å; N755-W759 VanDerWaalsContact O-N 3.16Å
756	Q	90.8	Very high	92	Very high	120 Å²	120	55.7 Å²	55.7	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-61.2	-31.1	-178.3	-175.1	166.3	-31	0	0	113.8	I760	Q756-I760 HydrophobicContact CG-CD1 4.17Å; Q756-I760 WeakPolarHBondContact O-CD1 3.36Å; Q756-I760 VanDerWaalsContact O-CG1 3.3Å; Q756-I760 WeakPolarHBondContact O-CG1 3.43Å; Q756-I760 PolarHBondContact O-N 3.08Å
757	I	92.9	Very high	92	Very high	112 Å²	112	57 Å²	57	57%	0.574	29%	0.291	S	S	*	.	H	α-helix	trans	-71.4	-45.9	179.9	-59.9	171.8	0	0	0	109.9	N755 W759 I760 I761	N755-I757 VanDerWaalsContact C-N 3.25Å; N755-I757 PolarHBondContact O-N 3.37Å; N755-I757 WeakPolarHBondContact OD1-CA 3.47Å; N755-I757 WeakPolarHBondContact OD1-CB 3.02Å; N755-I757 PolarHBondContact OD1-N 2.68Å; I757-W759 VanDerWaalsContact C-N 3.32Å; I757-W759 PolarHBondContact O-N 2.04Å; I757-I760 PolarHBondContact O-N 2.87Å; I757-I761 HydrophobicContact CG2-CD1 3.8Å; I757-I761 HydrophobicContact CG2-CG1 4.44Å; I757-I761 WeakPolarHBondContact O-CG1 3.45Å; I757-I761 PolarHBondContact O-N 3.29Å
758	F	94.2	Very high	92	Very high	26 Å²	26	61.4 Å²	61.4	11%	0.114	31%	0.313	C	S	.	.	H	α-helix	trans	-54.8	-48.3	174	172.4	-91.1	0	0	0	111	L749 Y753 N755 I760 I761 F762 F838	L749-F758 HydrophobicContact CB-CD2 4.28Å; L749-F758 HydrophobicContact CB-CE2 3.77Å; Y753-F758 WeakPolarHBondContact O-CB 3.36Å; N755-F758 PolarHBondContact O-N 3.06Å; N755-F758 PolarHBondContact OD1-N 2.92Å; F758-I760 VanDerWaalsContact C-N 3.32Å; F758-I760 PolarHBondContact O-N 2.68Å; F758-I761 PolarHBondContact O-N 3.16Å; F758-F762 HydrophobicContact CE1-CB 4.19Å; F758-F762 HydrophobicContact CZ-CB 4.25Å; F758-F762 VanDerWaalsContact O-CB 3.29Å; F758-F762 WeakPolarHBondContact O-CB 3.29Å; F758-F762 PolarHBondContact O-N 3.41Å; F758-F838 AromaticContact CE1-CD2 3.87Å; F758-F838 HydrophobicContact CE1-CD2 3.87Å; F758-F838 HydrophobicContact CE1-CE1 4.38Å; F758-F838 AromaticContact CE1-CE2 3.65Å; F758-F838 HydrophobicContact CE1-CE2 3.65Å; F758-F838 HydrophobicContact CE1-CG 4.34Å; F758-F838 AromaticContact CE1-CZ 3.92Å; F758-F838 HydrophobicContact CE1-CZ 3.92Å; F758-F838 HydrophobicContact CZ-CD2 4.47Å; F758-F838 HydrophobicContact CZ-CE1 4.04Å; F758-F838 HydrophobicContact CZ-CE2 4.01Å; F758-F838 AromaticContact CZ-CZ 3.77Å; F758-F838 HydrophobicContact CZ-CZ 3.77Å
759	W	94.8	Very high	91.9	Very high	3 Å²	3	62 Å²	62	1%	0.011	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-37.2	178.5	-84.8	101.2	0	0	0	113.4	N755 I757 T763 R834 P835 F838 F841	N755-W759 PolarHBondContact O-N 3.46Å; N755-W759 VanDerWaalsContact O-N 3.16Å; I757-W759 VanDerWaalsContact C-N 3.32Å; I757-W759 PolarHBondContact O-N 2.04Å; W759-T763 VanDerWaalsContact O-CB 3.26Å; W759-T763 WeakPolarHBondContact O-CB 3.29Å; W759-T763 PolarHBondContact O-N 3.21Å; W759-T763 PolarHBondContact O-OG1 2.92Å; W759-R834 HydrophobicContact CB-CG 4.29Å; W759-R834 HydrophobicContact CD2-CB 4.32Å; W759-R834 HydrophobicContact CD2-CG 4.07Å; W759-R834 HydrophobicContact CG-CB 4.27Å; W759-R834 HydrophobicContact CG-CG 3.78Å; W759-P835 HydrophobicContact CH2-CG 3.81Å; W759-P835 HydrophobicContact CZ2-CG 3.91Å; W759-P835 WeakPolarHBondContact CZ2-O 3.34Å; W759-F838 AromaticContact CH2-CD2 3.7Å; W759-F838 HydrophobicContact CH2-CD2 3.7Å; W759-F838 HydrophobicContact CH2-CE2 4.21Å; W759-F838 AromaticContact CZ2-CD2 3.75Å; W759-F838 HydrophobicContact CZ2-CD2 3.75Å; W759-F838 HydrophobicContact CZ3-CD2 4.33Å; W759-F838 HydrophobicContact CZ3-CE2 4.41Å; W759-F841 AromaticContact CH2-CD1 3.66Å; W759-F841 HydrophobicContact CH2-CD1 3.66Å; W759-F841 AromaticContact CH2-CE1 3.86Å; W759-F841 HydrophobicContact CH2-CE1 3.86Å; W759-F841 HydrophobicContact CH2-CG 4.03Å; W759-F841 HydrophobicContact CH2-CZ 4.4Å; W759-F841 AromaticContact CZ3-CD1 3.93Å; W759-F841 HydrophobicContact CZ3-CD1 3.93Å; W759-F841 AromaticContact CZ3-CE1 3.61Å; W759-F841 HydrophobicContact CZ3-CE1 3.61Å; W759-F841 AromaticContact CZ3-CZ 3.99Å; W759-F841 HydrophobicContact CZ3-CZ 3.99Å
760	I	94.3	Very high	91.8	Very high	74 Å²	74	60.1 Å²	60.1	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-67.3	-49.2	175.6	-68.7	162.6	0	0	0	110.7	Q756 I757 F758 T763 I764 I831	Q756-I760 HydrophobicContact CG-CD1 4.17Å; Q756-I760 WeakPolarHBondContact O-CD1 3.36Å; Q756-I760 VanDerWaalsContact O-CG1 3.3Å; Q756-I760 WeakPolarHBondContact O-CG1 3.43Å; Q756-I760 PolarHBondContact O-N 3.08Å; I757-I760 PolarHBondContact O-N 2.87Å; F758-I760 VanDerWaalsContact C-N 3.32Å; F758-I760 PolarHBondContact O-N 2.68Å; I760-T763 PolarHBondContact O-N 3.34Å; I760-I764 HydrophobicContact CG2-CD1 4.03Å; I760-I764 WeakPolarHBondContact O-CG1 3.4Å; I760-I764 PolarHBondContact O-N 3.04Å; I760-I831 HydrophobicContact CG1-CD1 4.33Å
761	I	94.5	Very high	91.6	Very high	108 Å²	108	63.5 Å²	63.5	55%	0.554	33%	0.325	S	S	*	.	H	α-helix	trans	-61.8	-47.6	179.9	-66.2	171.1	0	0	0	110.6	I757 F758 T763 I764 F765	I757-I761 HydrophobicContact CG2-CD1 3.8Å; I757-I761 HydrophobicContact CG2-CG1 4.44Å; I757-I761 WeakPolarHBondContact O-CG1 3.45Å; I757-I761 PolarHBondContact O-N 3.29Å; F758-I761 PolarHBondContact O-N 3.16Å; I761-T763 VanDerWaalsContact C-N 3.34Å; I761-T763 PolarHBondContact O-N 3.47Å; I761-I764 PolarHBondContact O-N 3.19Å; I761-F765 WeakPolarHBondContact O-CB 3.45Å; I761-F765 PolarHBondContact O-N 3.39Å
762	F	95.2	Very high	91.5	Very high	10 Å²	10	66 Å²	66	4%	0.044	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-42.3	177.1	176.2	-92.6	0	0	0	111.7	F758 I764 F765 F766 F838 F841 L842 I845	F758-F762 HydrophobicContact CE1-CB 4.19Å; F758-F762 HydrophobicContact CZ-CB 4.25Å; F758-F762 VanDerWaalsContact O-CB 3.29Å; F758-F762 WeakPolarHBondContact O-CB 3.29Å; F758-F762 PolarHBondContact O-N 3.41Å; F762-I764 PolarHBondContact O-N 2.94Å; F762-F765 PolarHBondContact O-N 3.28Å; F762-F766 HydrophobicContact CE1-CB 3.98Å; F762-F766 HydrophobicContact CE1-CG 4.36Å; F762-F766 HydrophobicContact CZ-CB 4.09Å; F762-F766 HydrophobicContact CZ-CG 4.44Å; F762-F766 VanDerWaalsContact O-CB 3.28Å; F762-F766 WeakPolarHBondContact O-CB 3.43Å; F762-F766 PolarHBondContact O-N 2.89Å; F762-F838 AromaticContact CD1-CE2 3.91Å; F762-F838 HydrophobicContact CD1-CE2 3.91Å; F762-F838 HydrophobicContact CD1-CZ 4.26Å; F762-F838 HydrophobicContact CD2-CE2 4.13Å; F762-F838 AromaticContact CD2-CZ 3.67Å; F762-F838 HydrophobicContact CD2-CZ 3.67Å; F762-F838 HydrophobicContact CE1-CE2 4.02Å; F762-F838 HydrophobicContact CE1-CZ 4.22Å; F762-F838 HydrophobicContact CE2-CE2 4.21Å; F762-F838 AromaticContact CE2-CZ 3.6Å; F762-F838 HydrophobicContact CE2-CZ 3.6Å; F762-F838 AromaticContact CG-CE2 3.98Å; F762-F838 HydrophobicContact CG-CE2 3.98Å; F762-F838 HydrophobicContact CG-CZ 4Å; F762-F838 HydrophobicContact CZ-CE2 4.15Å; F762-F838 AromaticContact CZ-CZ 3.89Å; F762-F838 HydrophobicContact CZ-CZ 3.89Å; F762-F841 AromaticContact CE1-CE1 3.91Å; F762-F841 HydrophobicContact CE1-CE1 3.91Å; F762-L842 HydrophobicContact CZ-CD1 4.25Å; F762-I845 HydrophobicContact CZ-CD1 4.37Å
763	T	94	Very high	91.4	Very high	15 Å²	15	65.5 Å²	65.5	9%	0.092	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-43.4	178.1	-60	0	0	0	0	111.2	W759 I760 I761 F766 L767 A827	W759-T763 VanDerWaalsContact O-CB 3.26Å; W759-T763 WeakPolarHBondContact O-CB 3.29Å; W759-T763 PolarHBondContact O-N 3.21Å; W759-T763 PolarHBondContact O-OG1 2.92Å; I760-T763 PolarHBondContact O-N 3.34Å; I761-T763 VanDerWaalsContact C-N 3.34Å; I761-T763 PolarHBondContact O-N 3.47Å; T763-F766 PolarHBondContact O-N 3.03Å; T763-L767 HydrophobicContact CG2-CD1 4.04Å; T763-L767 HydrophobicContact CG2-CG 4.44Å; T763-L767 WeakPolarHBondContact O-CB 3.4Å; T763-L767 VanDerWaalsContact O-CG 3.23Å; T763-L767 WeakPolarHBondContact O-CG 3.47Å; T763-L767 PolarHBondContact O-N 3.22Å; T763-A827 HydrophobicContact CG2-CB 4.26Å
764	I	94.7	Very high	91.2	Very high	96 Å²	96	59.6 Å²	59.6	49%	0.492	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-48.1	175.6	-67	165.5	0	0	0	110.6	I760 I761 F762 F766 L767 I768	I760-I764 HydrophobicContact CG2-CD1 4.03Å; I760-I764 WeakPolarHBondContact O-CG1 3.4Å; I760-I764 PolarHBondContact O-N 3.04Å; I761-I764 PolarHBondContact O-N 3.19Å; F762-I764 PolarHBondContact O-N 2.94Å; I764-F766 PolarHBondContact O-N 3.04Å; I764-L767 PolarHBondContact O-N 3.15Å; I764-I768 HydrophobicContact CG2-CD1 3.71Å; I764-I768 HydrophobicContact CG2-CG1 4.5Å; I764-I768 WeakPolarHBondContact O-CB 3.32Å; I764-I768 VanDerWaalsContact O-CG1 3.3Å; I764-I768 WeakPolarHBondContact O-CG1 3.39Å; I764-I768 PolarHBondContact O-N 3.26Å
765	F	93.6	Very high	91.1	Very high	80 Å²	80	59.4 Å²	59.4	35%	0.351	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-46.2	177.1	173.3	-100.1	0	0	0	112.3	L746 I761 F762 I768 L769	L746-F765 HydrophobicContact CD1-CD1 3.94Å; L746-F765 HydrophobicContact CD1-CE1 3.54Å; L746-F765 HydrophobicContact CD1-CZ 4.17Å; I761-F765 WeakPolarHBondContact O-CB 3.45Å; I761-F765 PolarHBondContact O-N 3.39Å; F762-F765 PolarHBondContact O-N 3.28Å; F765-I768 PolarHBondContact O-N 2.8Å; F765-L769 HydrophobicContact CE1-CD2 4.07Å; F765-L769 HydrophobicContact CZ-CD2 4.22Å; F765-L769 VanDerWaalsContact O-CB 3.27Å; F765-L769 WeakPolarHBondContact O-CB 3.29Å; F765-L769 PolarHBondContact O-N 3.5Å
766	F	94.4	Very high	90.7	Very high	16 Å²	16	60 Å²	60	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-42.1	179.7	174.4	-129.5	0	0	0	112.4	F762 T763 I764 L769 S770 N823 A827 I845	F762-F766 HydrophobicContact CE1-CB 3.98Å; F762-F766 HydrophobicContact CE1-CG 4.36Å; F762-F766 HydrophobicContact CZ-CB 4.09Å; F762-F766 HydrophobicContact CZ-CG 4.44Å; F762-F766 VanDerWaalsContact O-CB 3.28Å; F762-F766 WeakPolarHBondContact O-CB 3.43Å; F762-F766 PolarHBondContact O-N 2.89Å; T763-F766 PolarHBondContact O-N 3.03Å; I764-F766 PolarHBondContact O-N 3.04Å; F766-L769 PolarHBondContact O-N 3.4Å; F766-S770 WeakPolarHBondContact O-CB 3.42Å; F766-S770 PolarHBondContact O-N 3.32Å; F766-N823 HydrophobicContact CE1-CB 4.34Å; F766-N823 WeakPolarHBondContact CE1-O 3.43Å; F766-N823 HydrophobicContact CZ-CB 3.8Å; F766-A827 HydrophobicContact CD1-CB 3.92Å; F766-A827 HydrophobicContact CE1-CB 3.95Å; F766-I845 HydrophobicContact CD1-CD1 4.42Å; F766-I845 HydrophobicContact CD2-CD1 4.41Å; F766-I845 HydrophobicContact CE1-CD1 4.03Å; F766-I845 HydrophobicContact CE2-CD1 4.05Å; F766-I845 HydrophobicContact CE2-CG1 4.45Å; F766-I845 HydrophobicContact CE2-CG2 3.53Å; F766-I845 HydrophobicContact CZ-CD1 3.84Å; F766-I845 HydrophobicContact CZ-CG1 4.04Å; F766-I845 HydrophobicContact CZ-CG2 3.75Å
767	L	93.6	Very high	90.1	Very high	59 Å²	59	57.1 Å²	57.1	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-44.4	176.1	-69.4	173.4	0	0	0	111.6	T763 I764 S770 V771 F824 A827	T763-L767 HydrophobicContact CG2-CD1 4.04Å; T763-L767 HydrophobicContact CG2-CG 4.44Å; T763-L767 WeakPolarHBondContact O-CB 3.4Å; T763-L767 VanDerWaalsContact O-CG 3.23Å; T763-L767 WeakPolarHBondContact O-CG 3.47Å; T763-L767 PolarHBondContact O-N 3.22Å; I764-L767 PolarHBondContact O-N 3.15Å; L767-S770 PolarHBondContact O-N 2.83Å; L767-V771 WeakPolarHBondContact O-CG2 3.17Å; L767-V771 PolarHBondContact O-N 2.69Å; L767-F824 HydrophobicContact CD2-CD1 3.32Å; L767-F824 HydrophobicContact CD2-CE1 3.66Å; L767-F824 HydrophobicContact CD2-CG 4.27Å; L767-A827 HydrophobicContact CD2-CB 4.01Å; L767-A827 HydrophobicContact CG-CB 4.48Å
768	I	91.7	Very high	89.4	Confident	94 Å²	94	52.5 Å²	52.5	48%	0.482	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-46.2	175.1	-70	169.9	0	0	0	110.4	I764 F765 V771 I772	I764-I768 HydrophobicContact CG2-CD1 3.71Å; I764-I768 HydrophobicContact CG2-CG1 4.5Å; I764-I768 WeakPolarHBondContact O-CB 3.32Å; I764-I768 VanDerWaalsContact O-CG1 3.3Å; I764-I768 WeakPolarHBondContact O-CG1 3.39Å; I764-I768 PolarHBondContact O-N 3.26Å; F765-I768 PolarHBondContact O-N 2.8Å; I768-V771 PolarHBondContact O-N 2.78Å; I768-I772 HydrophobicContact CG2-CD1 3.65Å; I768-I772 HydrophobicContact CG2-CG1 4.33Å; I768-I772 WeakPolarHBondContact O-CG1 3.36Å; I768-I772 PolarHBondContact O-N 3.3Å
769	L	90.4	Very high	88.5	Confident	53 Å²	53	56 Å²	56	28%	0.277	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-42	178.4	-176.5	63.1	0	0	0	112	F765 F766 V771 I772 L773	F765-L769 HydrophobicContact CE1-CD2 4.07Å; F765-L769 HydrophobicContact CZ-CD2 4.22Å; F765-L769 VanDerWaalsContact O-CB 3.27Å; F765-L769 WeakPolarHBondContact O-CB 3.29Å; F765-L769 PolarHBondContact O-N 3.5Å; F766-L769 PolarHBondContact O-N 3.4Å; L769-V771 VanDerWaalsContact C-N 3.3Å; L769-V771 PolarHBondContact O-N 3.44Å; L769-I772 PolarHBondContact O-N 2.96Å; L769-L773 HydrophobicContact CD1-CD1 4.07Å; L769-L773 HydrophobicContact CD1-CG 4.04Å; L769-L773 HydrophobicContact CG-CD1 3.87Å; L769-L773 HydrophobicContact CG-CG 4.28Å; L769-L773 WeakPolarHBondContact O-CB 3.34Å; L769-L773 VanDerWaalsContact O-CG 3.28Å; L769-L773 WeakPolarHBondContact O-CG 3.5Å; L769-L773 PolarHBondContact O-N 3.45Å
770	S	89.5	Confident	87.4	Confident	8 Å²	8	55.9 Å²	55.9	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-41.6	175	-170.7	0	0	0	0	111.3	F766 L767 T774 N820 N823	F766-S770 WeakPolarHBondContact O-CB 3.42Å; F766-S770 PolarHBondContact O-N 3.32Å; L767-S770 PolarHBondContact O-N 2.83Å; S770-T774 WeakPolarHBondContact O-CB 3.4Å; S770-T774 PolarHBondContact O-N 3.11Å; S770-T774 PolarHBondContact O-OG1 3.1Å; S770-N820 PolarHBondContact OG-OD1 3.21Å; S770-N823 PolarHBondContact OG-ND2 3.45Å
771	V	87.7	Confident	85.8	Confident	74 Å²	74	54.3 Å²	54.3	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-68.2	-46.9	175.7	173.2	0	0	0	0	111.4	L767 I768 L769 T774 V775	L767-V771 WeakPolarHBondContact O-CG2 3.17Å; L767-V771 PolarHBondContact O-N 2.69Å; I768-V771 PolarHBondContact O-N 2.78Å; L769-V771 VanDerWaalsContact C-N 3.3Å; L769-V771 PolarHBondContact O-N 3.44Å; V771-T774 VanDerWaalsContact O-CB 3.31Å; V771-T774 WeakPolarHBondContact O-CB 3.27Å; V771-T774 PolarHBondContact O-N 2.86Å; V771-V775 WeakPolarHBondContact O-CG2 3.32Å; V771-V775 PolarHBondContact O-N 2.91Å
772	I	86.3	Confident	84.2	Confident	71 Å²	71	53.8 Å²	53.8	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-59.9	-51.3	179.2	-69.6	169.8	0	0	0	110.9	I768 L769 T774 V775 E776	I768-I772 HydrophobicContact CG2-CD1 3.65Å; I768-I772 HydrophobicContact CG2-CG1 4.33Å; I768-I772 WeakPolarHBondContact O-CG1 3.36Å; I768-I772 PolarHBondContact O-N 3.3Å; L769-I772 PolarHBondContact O-N 2.96Å; I772-T774 PolarHBondContact O-N 3.22Å; I772-V775 PolarHBondContact O-N 2.95Å; I772-V775 VanDerWaalsContact O-N 3.08Å; I772-E776 PolarHBondContact O-N 2.84Å
773	L	84.4	Confident	82.4	Confident	82 Å²	82	57 Å²	57	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-37.2	176.9	-70	173.1	0	0	0	111.6	L769 E776 I777	L769-L773 HydrophobicContact CD1-CD1 4.07Å; L769-L773 HydrophobicContact CD1-CG 4.04Å; L769-L773 HydrophobicContact CG-CD1 3.87Å; L769-L773 HydrophobicContact CG-CG 4.28Å; L769-L773 WeakPolarHBondContact O-CB 3.34Å; L769-L773 VanDerWaalsContact O-CG 3.28Å; L769-L773 WeakPolarHBondContact O-CG 3.5Å; L769-L773 PolarHBondContact O-N 3.45Å; L773-E776 PolarHBondContact O-N 2.83Å; L773-I777 WeakPolarHBondContact O-CB 3.22Å; L773-I777 WeakPolarHBondContact O-CD1 3.19Å; L773-I777 WeakPolarHBondContact O-CG1 3.23Å; L773-I777 PolarHBondContact O-N 3.42Å
774	T	85.3	Confident	80.4	Confident	29 Å²	29	62.2 Å²	62.2	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-44.9	174.7	-70.4	0	0	0	0	112.3	S770 V771 I772 Y778 L816 N820	S770-T774 WeakPolarHBondContact O-CB 3.4Å; S770-T774 PolarHBondContact O-N 3.11Å; S770-T774 PolarHBondContact O-OG1 3.1Å; V771-T774 VanDerWaalsContact O-CB 3.31Å; V771-T774 WeakPolarHBondContact O-CB 3.27Å; V771-T774 PolarHBondContact O-N 2.86Å; I772-T774 PolarHBondContact O-N 3.22Å; T774-Y778 VanDerWaalsContact O-CB 3.27Å; T774-Y778 WeakPolarHBondContact O-CB 3.3Å; T774-Y778 PolarHBondContact O-N 3.39Å; T774-L816 HydrophobicContact CG2-CB 3.99Å; T774-L816 HydrophobicContact CG2-CD1 4.18Å; T774-L816 HydrophobicContact CG2-CD2 4.18Å; T774-L816 HydrophobicContact CG2-CG 4.34Å; T774-N820 WeakPolarHBondContact CG2-ND2 2.99Å; T774-N820 PolarHBondContact OG1-ND2 3.44Å; T774-N820 PolarHBondContact OG1-OD1 3.02Å
775	V	81.3	Confident	78.5	Confident	32 Å²	32	63.5 Å²	63.5	19%	0.194	33%	0.326	C	S	.	.	H	α-helix	trans	-70	-40.9	179.5	-174.9	0	0	0	0	110.9	V771 I772 Y778 Y779 W783	V771-V775 WeakPolarHBondContact O-CG2 3.32Å; V771-V775 PolarHBondContact O-N 2.91Å; I772-V775 PolarHBondContact O-N 2.95Å; I772-V775 VanDerWaalsContact O-N 3.08Å; V775-Y778 PolarHBondContact O-N 3.32Å; V775-Y779 HydrophobicContact CG1-CD2 3.53Å; V775-Y779 HydrophobicContact CG1-CE2 3.7Å; V775-Y779 WeakPolarHBondContact O-CD2 3.5Å; V775-Y779 PolarHBondContact O-N 3.33Å; V775-W783 HydrophobicContact CB-CE3 3.79Å; V775-W783 HydrophobicContact CB-CH2 4.08Å; V775-W783 HydrophobicContact CB-CZ3 3.53Å; V775-W783 HydrophobicContact CG1-CD2 3.53Å; V775-W783 HydrophobicContact CG1-CE3 3.25Å; V775-W783 HydrophobicContact CG1-CG 4.3Å; V775-W783 HydrophobicContact CG1-CH2 3.68Å; V775-W783 HydrophobicContact CG1-CZ2 3.95Å; V775-W783 HydrophobicContact CG1-CZ3 3.34Å; V775-W783 HydrophobicContact CG2-CH2 4.33Å; V775-W783 HydrophobicContact CG2-CZ3 4.22Å
776	E	80.3	Confident	76.8	Confident	99 Å²	99	63.9 Å²	63.9	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-46	174.1	-75.1	-161.1	178.7	0	0	112.6	I772 L773 Y778 M780 G781	I772-E776 PolarHBondContact O-N 2.84Å; L773-E776 PolarHBondContact O-N 2.83Å; E776-Y778 VanDerWaalsContact C-N 3.35Å; E776-Y778 PolarHBondContact O-N 3.1Å; E776-M780 PolarHBondContact O-N 3.39Å; E776-G781 PolarHBondContact O-N 2.97Å
777	I	78.9	Confident	75.2	Confident	58 Å²	58	71.7 Å²	71.7	30%	0.297	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-40.2	177.8	-67.9	165.1	0	0	0	110.5	L773 M780 L816	L773-I777 WeakPolarHBondContact O-CB 3.22Å; L773-I777 WeakPolarHBondContact O-CD1 3.19Å; L773-I777 WeakPolarHBondContact O-CG1 3.23Å; L773-I777 PolarHBondContact O-N 3.42Å; I777-M780 PolarHBondContact O-N 2.85Å; I777-L816 HydrophobicContact CB-CD2 4.22Å; I777-L816 HydrophobicContact CG2-CD1 4.36Å; I777-L816 HydrophobicContact CG2-CD2 3.99Å
778	Y	79.2	Confident	73.7	Confident	16 Å²	16	72.4 Å²	72.4	6%	0.063	38%	0.382	C	S	.	.	H	α-helix	trans	-62.8	-46.8	179	-171.9	-106.4	0	0	0	112.6	T774 V775 E776 M780 T808 Y809 R812 M813 L816	T774-Y778 VanDerWaalsContact O-CB 3.27Å; T774-Y778 WeakPolarHBondContact O-CB 3.3Å; T774-Y778 PolarHBondContact O-N 3.39Å; V775-Y778 PolarHBondContact O-N 3.32Å; E776-Y778 VanDerWaalsContact C-N 3.35Å; E776-Y778 PolarHBondContact O-N 3.1Å; Y778-M780 VanDerWaalsContact C-N 3.34Å; Y778-M780 PolarHBondContact O-N 3.38Å; Y778-T808 PolarHBondContact OH-N 3.42Å; Y778-T808 PolarHBondContact OH-OG1 3.16Å; Y778-T808 VanDerWaalsContact OH-OG1 3.04Å; Y778-Y809 PolarHBondContact OH-N 3.49Å; Y778-R812 HydrophobicContact CD2-CB 4.45Å; Y778-M813 HydrophobicContact CD2-CE 4.27Å; Y778-M813 HydrophobicContact CE1-CE 4.34Å; Y778-M813 HydrophobicContact CE2-CB 4.07Å; Y778-M813 HydrophobicContact CE2-CE 3.72Å; Y778-L816 HydrophobicContact CD2-CD1 3.99Å; Y778-L816 HydrophobicContact CG-CD1 4.36Å
779	Y	74.7	Confident	72.1	Confident	98 Å²	98	69.9 Å²	69.9	38%	0.384	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	12.4	179.8	-68.6	-71.1	0	0	0	114.3	V775 G781 Q782	V775-Y779 HydrophobicContact CG1-CD2 3.53Å; V775-Y779 HydrophobicContact CG1-CE2 3.7Å; V775-Y779 WeakPolarHBondContact O-CD2 3.5Å; V775-Y779 PolarHBondContact O-N 3.33Å; Y779-G781 VanDerWaalsContact C-N 3.26Å; Y779-G781 PolarHBondContact O-N 3.49Å; Y779-Q782 WeakPolarHBondContact O-CB 3.29Å; Y779-Q782 PolarHBondContact O-N 3.28Å
780	M	70.8	Confident	70.5	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	40.8	179	-55.8	-177	-107.3	0	0	113.3	L557 L562 V729 E776 I777 Y778 Q782 Y809 R812 V955	L557-M780 HydrophobicContact CD2-CE 3.94Å; L557-M780 HydrophobicContact CD2-SD 3.74Å; L562-M780 HydrophobicContact CD1-SD 4.21Å; V729-M780 VanDerWaalsContact CG1-O 3.28Å; V729-M780 WeakPolarHBondContact CG1-O 3.46Å; E776-M780 PolarHBondContact O-N 3.39Å; I777-M780 PolarHBondContact O-N 2.85Å; Y778-M780 VanDerWaalsContact C-N 3.34Å; Y778-M780 PolarHBondContact O-N 3.38Å; M780-Q782 PolarHBondContact O-N 3.31Å; M780-Q782 VanDerWaalsContact O-N 3.17Å; M780-Y809 HydrophobicContact CE-CE1 4.48Å; M780-Y809 HydrophobicContact CE-CE2 3.82Å; M780-R812 PolarHBondContact SD-NH1 2.82Å; M780-V955 HydrophobicContact SD-CG1 4.35Å
781	G	62	Low	69.2	Low	42 Å²	42	76.1 Å²	76.1	43%	0.433	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	11.4	-178.8	0	0	0	0	0	115.4	E776 Y779 W783	E776-G781 PolarHBondContact O-N 2.97Å; Y779-G781 VanDerWaalsContact C-N 3.26Å; Y779-G781 PolarHBondContact O-N 3.49Å; G781-W783 VanDerWaalsContact C-N 3.29Å; G781-W783 PolarHBondContact O-N 3.35Å
782	Q	60.5	Low	67.9	Low	96 Å²	96	81.1 Å²	81.1	45%	0.449	41%	0.411	S	S	.	.			trans	-91.2	18.6	178.3	-59.1	-172.2	-18.2	0	0	113.3	Y779 M780	Y779-Q782 WeakPolarHBondContact O-CB 3.29Å; Y779-Q782 PolarHBondContact O-N 3.28Å; M780-Q782 PolarHBondContact O-N 3.31Å; M780-Q782 VanDerWaalsContact O-N 3.17Å
783	W	56.8	Low	66.8	Low	78 Å²	78	81.8 Å²	81.8	30%	0.295	41%	0.414	S	S	.	.			trans	-95.4	107.8	-176	-174.1	34.8	0	0	0	111.5	V775 G781 I785 L789	V775-W783 HydrophobicContact CB-CE3 3.79Å; V775-W783 HydrophobicContact CB-CH2 4.08Å; V775-W783 HydrophobicContact CB-CZ3 3.53Å; V775-W783 HydrophobicContact CG1-CD2 3.53Å; V775-W783 HydrophobicContact CG1-CE3 3.25Å; V775-W783 HydrophobicContact CG1-CG 4.3Å; V775-W783 HydrophobicContact CG1-CH2 3.68Å; V775-W783 HydrophobicContact CG1-CZ2 3.95Å; V775-W783 HydrophobicContact CG1-CZ3 3.34Å; V775-W783 HydrophobicContact CG2-CH2 4.33Å; V775-W783 HydrophobicContact CG2-CZ3 4.22Å; G781-W783 VanDerWaalsContact C-N 3.29Å; G781-W783 PolarHBondContact O-N 3.35Å; W783-I785 HydrophobicContact CD2-CG1 4.29Å; W783-I785 HydrophobicContact CE3-CG1 4.43Å; W783-I785 HydrophobicContact CH2-CD1 4.32Å; W783-I785 HydrophobicContact CH2-CG1 4.41Å; W783-I785 HydrophobicContact CZ2-CG1 4.23Å; W783-I785 HydrophobicContact CZ3-CD1 4.27Å; W783-I785 HydrophobicContact CZ3-CG1 4.48Å; W783-L789 HydrophobicContact CZ2-CD2 3.86Å
784	N	53.1	Low	66	Low	124 Å²	124	84.2 Å²	84.2	66%	0.663	42%	0.418	S	S	*	.			trans	-89.9	133.1	166.6	-70.1	0.8	0	0	0	109.9	D786	N784-D786 PolarHBondContact O-N 3.35Å
785	I	53.9	Low	64.8	Low	124 Å²	124	87.8 Å²	87.8	64%	0.636	43%	0.429	S	S	*	.			trans	-92.7	87.1	175.2	-56.4	177	0	0	0	108.6	W783	W783-I785 HydrophobicContact CD2-CG1 4.29Å; W783-I785 HydrophobicContact CE3-CG1 4.43Å; W783-I785 HydrophobicContact CH2-CD1 4.32Å; W783-I785 HydrophobicContact CH2-CG1 4.41Å; W783-I785 HydrophobicContact CZ2-CG1 4.23Å; W783-I785 HydrophobicContact CZ3-CD1 4.27Å; W783-I785 HydrophobicContact CZ3-CG1 4.48Å
786	D	58.3	Low	63.8	Low	87 Å²	87	90.1 Å²	90.1	47%	0.465	44%	0.44	S	S	.	.			trans	-82	148.4	172.3	-55.7	-38.9	0	0	0	110.9	N784 C788 L789	N784-D786 PolarHBondContact O-N 3.35Å; D786-C788 PolarHBondContact O-N 3.14Å; D786-L789 WeakPolarHBondContact O-CB 3.39Å; D786-L789 PolarHBondContact O-N 2.94Å
787	L	60.7	Low	63	Low	181 Å²	181	89.9 Å²	89.9	95%	0.948	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.8	171.9	-84.2	144.9	0	0	0	113.5	L789 P790	L787-L789 VanDerWaalsContact C-N 3.33Å; L787-P790 WeakPolarHBondContact O-CD 3.26Å
788	C	61.4	Low	62.4	Low	74 Å²	74	95.6 Å²	95.6	50%	0.5	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.2	175	-65.5	0	0	0	0	114.5	D786 R791 R792	D786-C788 PolarHBondContact O-N 3.14Å; C788-R791 WeakPolarHBondContact O-CB 3.34Å; C788-R791 PolarHBondContact O-N 2.96Å; C788-R791 VanDerWaalsContact O-N 3.14Å; C788-R792 PolarHBondContact O-N 3.31Å
789	L	58.3	Low	61.3	Low	41 Å²	41	99.6 Å²	99.6	22%	0.215	49%	0.485	C	S	.	.	H	α-helix	trans	-54.5	-45	-179.8	-172.1	84.2	0	0	0	113.6	W783 D786 L787 R791 R792 I793	W783-L789 HydrophobicContact CZ2-CD2 3.86Å; D786-L789 WeakPolarHBondContact O-CB 3.39Å; D786-L789 PolarHBondContact O-N 2.94Å; L787-L789 VanDerWaalsContact C-N 3.33Å; L789-R791 VanDerWaalsContact C-N 3.3Å; L789-R791 PolarHBondContact O-N 3.32Å; L789-R792 PolarHBondContact O-N 3.47Å; L789-R792 VanDerWaalsContact O-N 3.16Å; L789-I793 HydrophobicContact CD2-CD1 4.19Å; L789-I793 HydrophobicContact CG-CD1 3.91Å; L789-I793 HydrophobicContact CG-CG1 4.47Å; L789-I793 WeakPolarHBondContact O-CG1 3.36Å; L789-I793 PolarHBondContact O-N 2.96Å
790	P	56.3	Low	60.3	Low	90 Å²	90	99 Å²	99	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-63.4	-37.7	178.4	-20.3	33.5	0	0	0	112	L787 Y794	L787-P790 WeakPolarHBondContact O-CD 3.26Å; P790-Y794 WeakPolarHBondContact O-CB 3.33Å; P790-Y794 PolarHBondContact O-N 3.5Å
791	R	62.4	Low	59.9	Low	102 Å²	102	100.9 Å²	100.9	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-47	173.6	-173.5	174.9	-178.1	129.3	5	110.1	C446 C788 L789 I793 Y794 Y795	C446-R791 VanDerWaalsContact CB-NH2 3.35Å; C446-R791 PolarHBondContact O-NH2 2.85Å; C788-R791 WeakPolarHBondContact O-CB 3.34Å; C788-R791 PolarHBondContact O-N 2.96Å; C788-R791 VanDerWaalsContact O-N 3.14Å; L789-R791 VanDerWaalsContact C-N 3.3Å; L789-R791 PolarHBondContact O-N 3.32Å; R791-I793 PolarHBondContact O-N 2.96Å; R791-Y794 WeakPolarHBondContact O-CB 3.37Å; R791-Y794 PolarHBondContact O-N 2.86Å; R791-Y795 HydrophobicContact CG-CD2 3.77Å; R791-Y795 HydrophobicContact CG-CE2 3.67Å; R791-Y795 PolarHBondContact NH2-OH 3.3Å; R791-Y795 VanDerWaalsContact O-CD2 3.3Å; R791-Y795 WeakPolarHBondContact O-CD2 3.42Å; R791-Y795 PolarHBondContact O-N 3.35Å
792	R	61.8	Low	59.5	Low	179 Å²	179	106.1 Å²	106.1	68%	0.675	53%	0.525	S	S	*	.	H	α-helix	trans	-60.1	-43	178.8	-165	176.4	-171.8	169.5	2.5	112.2	C788 L789 Y795 L796	C788-R792 PolarHBondContact O-N 3.31Å; L789-R792 PolarHBondContact O-N 3.47Å; L789-R792 VanDerWaalsContact O-N 3.16Å; R792-Y795 PolarHBondContact O-N 3.34Å; R792-L796 WeakPolarHBondContact O-CB 3.35Å; R792-L796 PolarHBondContact O-N 2.85Å
793	I	63.5	Low	59.1	Low	85 Å²	85	103.7 Å²	103.7	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-46.1	173.9	-68.5	167.7	0	0	0	110.7	L789 R791 Y795 L796 I797	L789-I793 HydrophobicContact CD2-CD1 4.19Å; L789-I793 HydrophobicContact CG-CD1 3.91Å; L789-I793 HydrophobicContact CG-CG1 4.47Å; L789-I793 WeakPolarHBondContact O-CG1 3.36Å; L789-I793 PolarHBondContact O-N 2.96Å; R791-I793 PolarHBondContact O-N 2.96Å; I793-Y795 PolarHBondContact O-N 3.02Å; I793-L796 PolarHBondContact O-N 2.84Å; I793-I797 HydrophobicContact CG2-CD1 3.64Å; I793-I797 HydrophobicContact CG2-CG1 4.31Å; I793-I797 WeakPolarHBondContact O-CB 3.27Å; I793-I797 WeakPolarHBondContact O-CG1 3.08Å; I793-I797 PolarHBondContact O-N 2.73Å
794	Y	67	Low	59	Low	132 Å²	132	102.4 Å²	102.4	52%	0.518	53%	0.528	S	S	.	.	H	α-helix	trans	-59.2	-43.9	176.6	176	-94.1	0	0	0	112.5	P790 R791 R798	P790-Y794 WeakPolarHBondContact O-CB 3.33Å; P790-Y794 PolarHBondContact O-N 3.5Å; R791-Y794 WeakPolarHBondContact O-CB 3.37Å; R791-Y794 PolarHBondContact O-N 2.86Å; Y794-R798 WeakPolarHBondContact O-CB 3.24Å; Y794-R798 PolarHBondContact O-N 3.28Å; Y794-R798 PolarHBondContact OH-NH1 3.21Å
795	Y	59.2	Low	59.1	Low	104 Å²	104	103.3 Å²	103.3	41%	0.408	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-44.2	174.3	-87.1	-91.3	0	0	0	111.7	R791 R792 I793 R798 T799	R791-Y795 HydrophobicContact CG-CD2 3.77Å; R791-Y795 HydrophobicContact CG-CE2 3.67Å; R791-Y795 PolarHBondContact NH2-OH 3.3Å; R791-Y795 VanDerWaalsContact O-CD2 3.3Å; R791-Y795 WeakPolarHBondContact O-CD2 3.42Å; R791-Y795 PolarHBondContact O-N 3.35Å; R792-Y795 PolarHBondContact O-N 3.34Å; I793-Y795 PolarHBondContact O-N 3.02Å; Y795-R798 CarbonylContact O-C 3.53Å; Y795-R798 PolarHBondContact O-N 3.1Å; Y795-R798 VanDerWaalsContact O-N 3.12Å; Y795-T799 WeakPolarHBondContact O-CG2 3.29Å; Y795-T799 PolarHBondContact O-N 2.99Å; Y795-T799 PolarHBondContact O-OG1 3.11Å
796	L	60.1	Low	59	Low	81 Å²	81	107.9 Å²	107.9	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-63.1	-44.5	-180	-163.9	77.6	0	0	0	112.3	R792 I793 R798 T799 D800	R792-L796 WeakPolarHBondContact O-CB 3.35Å; R792-L796 PolarHBondContact O-N 2.85Å; I793-L796 PolarHBondContact O-N 2.84Å; L796-R798 VanDerWaalsContact C-N 3.26Å; L796-R798 PolarHBondContact O-N 2.72Å; L796-T799 PolarHBondContact O-N 3.19Å; L796-T799 PolarHBondContact O-OG1 3.25Å; L796-D800 WeakPolarHBondContact O-CB 3.24Å; L796-D800 PolarHBondContact O-N 2.92Å
797	I	64.9	Low	59.2	Low	95 Å²	95	105.5 Å²	105.5	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-37.4	173.6	-67.9	170.2	0	0	0	110.4	I793 G801	I793-I797 HydrophobicContact CG2-CD1 3.64Å; I793-I797 HydrophobicContact CG2-CG1 4.31Å; I793-I797 WeakPolarHBondContact O-CB 3.27Å; I793-I797 WeakPolarHBondContact O-CG1 3.08Å; I793-I797 PolarHBondContact O-N 2.73Å; I797-G801 VanDerWaalsContact O-CA 3.25Å; I797-G801 WeakPolarHBondContact O-CA 3.47Å; I797-G801 PolarHBondContact O-N 3.05Å
798	R	64.7	Low	59.2	Low	178 Å²	178	100.2 Å²	100.2	67%	0.672	51%	0.506	S	S	*	.	H	α-helix	trans	-74.7	-29	179.7	-173.9	172.7	178.3	141.2	1.7	113.8	Y794 Y795 L796	Y794-R798 WeakPolarHBondContact O-CB 3.24Å; Y794-R798 PolarHBondContact O-N 3.28Å; Y794-R798 PolarHBondContact OH-NH1 3.21Å; Y795-R798 CarbonylContact O-C 3.53Å; Y795-R798 PolarHBondContact O-N 3.1Å; Y795-R798 VanDerWaalsContact O-N 3.12Å; L796-R798 VanDerWaalsContact C-N 3.26Å; L796-R798 PolarHBondContact O-N 2.72Å
799	T	57.3	Low	59.5	Low	100 Å²	100	97.6 Å²	97.6	61%	0.613	49%	0.486	S	S	*	.	H	α-helix	trans	-88.4	-42.7	177.4	57.5	0	0	0	0	112.9	Y795 L796	Y795-T799 WeakPolarHBondContact O-CG2 3.29Å; Y795-T799 PolarHBondContact O-N 2.99Å; Y795-T799 PolarHBondContact O-OG1 3.11Å; L796-T799 PolarHBondContact O-N 3.19Å; L796-T799 PolarHBondContact O-OG1 3.25Å
800	D	54	Low	60.4	Low	86 Å²	86	101.1 Å²	101.1	46%	0.46	50%	0.504	S	S	.	.	H	α-helix	trans	-99.3	-16.2	-170.1	-63	6.9	0	0	0	112.1	L796 I802 G803 C804	L796-D800 WeakPolarHBondContact O-CB 3.24Å; L796-D800 PolarHBondContact O-N 2.92Å; D800-I802 PolarHBondContact O-N 3.42Å; D800-G803 VanDerWaalsContact O-CA 3.31Å; D800-G803 WeakPolarHBondContact O-CA 3.38Å; D800-G803 PolarHBondContact O-N 2.86Å; D800-C804 HydrophobicContact CB-CB 4.22Å
801	G	61.4	Low	61.3	Low	40 Å²	40	99.8 Å²	99.8	41%	0.412	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	55.3	-127.4	179.1	0	0	0	0	0	112.1	I797 G803 C804	I797-G801 VanDerWaalsContact O-CA 3.25Å; I797-G801 WeakPolarHBondContact O-CA 3.47Å; I797-G801 PolarHBondContact O-N 3.05Å; G801-G803 PolarHBondContact O-N 3.16Å; G801-C804 VanDerWaalsContact O-CB 3.32Å; G801-C804 WeakPolarHBondContact O-CB 3.12Å; G801-C804 PolarHBondContact O-N 2.91Å
802	I	54	Low	62.1	Low	151 Å²	151	95.5 Å²	95.5	77%	0.774	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24	175	-62.6	167.4	0	0	0	111.6	D800 C804 L805	D800-I802 PolarHBondContact O-N 3.42Å; I802-C804 PolarHBondContact O-N 2.85Å; I802-L805 HydrophobicContact CG2-CD1 4.49Å; I802-L805 WeakPolarHBondContact O-CB 3.23Å; I802-L805 PolarHBondContact O-N 3.33Å; I802-L805 VanDerWaalsContact O-N 3.09Å
803	G	53.3	Low	63.1	Low	46 Å²	46	90.6 Å²	90.6	47%	0.474	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.7	176.6	0	0	0	0	0	113.9	D800 G801 L805 R806	D800-G803 VanDerWaalsContact O-CA 3.31Å; D800-G803 WeakPolarHBondContact O-CA 3.38Å; D800-G803 PolarHBondContact O-N 2.86Å; G801-G803 PolarHBondContact O-N 3.16Å; G803-L805 PolarHBondContact O-N 3.06Å; G803-L805 VanDerWaalsContact O-N 3.17Å; G803-R806 WeakPolarHBondContact O-CB 3.36Å; G803-R806 PolarHBondContact O-N 2.4Å
804	C	53.1	Low	64.1	Low	50 Å²	50	91.4 Å²	91.4	34%	0.338	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-59.8	-23	174.1	-174.1	0	0	0	0	113.1	D800 G801 I802 R806	D800-C804 HydrophobicContact CB-CB 4.22Å; G801-C804 VanDerWaalsContact O-CB 3.32Å; G801-C804 WeakPolarHBondContact O-CB 3.12Å; G801-C804 PolarHBondContact O-N 2.91Å; I802-C804 PolarHBondContact O-N 2.85Å; C804-R806 VanDerWaalsContact C-N 3.3Å
805	L	55.9	Low	64.9	Low	144 Å²	144	86.5 Å²	86.5	75%	0.754	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-80.2	-7.5	177.8	-66.1	168.2	0	0	0	113.5	I802 G803 P807	I802-L805 HydrophobicContact CG2-CD1 4.49Å; I802-L805 WeakPolarHBondContact O-CB 3.23Å; I802-L805 PolarHBondContact O-N 3.33Å; I802-L805 VanDerWaalsContact O-N 3.09Å; G803-L805 PolarHBondContact O-N 3.06Å; G803-L805 VanDerWaalsContact O-N 3.17Å; L805-P807 WeakPolarHBondContact O-CD 3.02Å
806	R	52.6	Low	66.1	Low	219 Å²	219	82 Å²	82	83%	0.826	43%	0.43	S	S	*	.	S	Bend	trans	-74.1	110.7	179.8	-172.6	177.4	-176.2	170.5	2.1	109.4	G803 C804 T808	G803-R806 WeakPolarHBondContact O-CB 3.36Å; G803-R806 PolarHBondContact O-N 2.4Å; C804-R806 VanDerWaalsContact C-N 3.3Å; R806-T808 PolarHBondContact O-N 2.75Å
807	P	60.9	Low	67.5	Low	37 Å²	37	83.3 Å²	83.3	24%	0.24	44%	0.437	C	S	.	.			trans	-68.4	125.7	-174.9	28.3	-34.6	0	0	0	110.7	L805 Y809 L810 M813	L805-P807 WeakPolarHBondContact O-CD 3.02Å; P807-Y809 PolarHBondContact O-N 3.09Å; P807-L810 HydrophobicContact CG-CB 4.21Å; P807-L810 HydrophobicContact CG-CD1 3.88Å; P807-L810 HydrophobicContact CG-CG 4.49Å; P807-M813 HydrophobicContact CB-CB 3.77Å; P807-M813 HydrophobicContact CB-CE 4.12Å; P807-M813 HydrophobicContact CB-CG 3.93Å; P807-M813 HydrophobicContact CG-CB 4.4Å; P807-M813 HydrophobicContact CG-CG 4.46Å
808	T	60.4	Low	68.7	Low	70 Å²	70	82.5 Å²	82.5	43%	0.429	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.8	170.2	-9.5	0	0	0	0	112	Y778 R806	Y778-T808 PolarHBondContact OH-N 3.42Å; Y778-T808 PolarHBondContact OH-OG1 3.16Å; Y778-T808 VanDerWaalsContact OH-OG1 3.04Å; R806-T808 PolarHBondContact O-N 2.75Å
809	Y	69.1	Low	69.9	Low	20 Å²	20	74.7 Å²	74.7	8%	0.078	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	81.7	177.4	-59.1	-69	0	0	0	110.3	M553 N554 Y778 M780 P807 E811 R812 M813	M553-Y809 HydrophobicContact SD-CE2 3.92Å; N554-Y809 PolarHBondContact O-OH 2.99Å; Y778-Y809 PolarHBondContact OH-N 3.49Å; M780-Y809 HydrophobicContact CE-CE1 4.48Å; M780-Y809 HydrophobicContact CE-CE2 3.82Å; P807-Y809 PolarHBondContact O-N 3.09Å; Y809-E811 PolarHBondContact O-N 2.83Å; Y809-E811 VanDerWaalsContact O-N 3.17Å; Y809-R812 PolarHBondContact O-N 2.92Å; Y809-M813 PolarHBondContact O-N 3.05Å
810	L	76	Confident	71.5	Confident	114 Å²	114	70.6 Å²	70.6	60%	0.597	38%	0.38	S	S	*	.	H	α-helix	trans	-49	-42.6	-178	-175.6	103.8	0	0	0	113.3	P807 M813 L814	P807-L810 HydrophobicContact CG-CB 4.21Å; P807-L810 HydrophobicContact CG-CD1 3.88Å; P807-L810 HydrophobicContact CG-CG 4.49Å; L810-M813 PolarHBondContact O-N 2.91Å; L810-L814 PolarHBondContact O-N 3.13Å
811	E	75.7	Confident	73.4	Confident	62 Å²	62	71.6 Å²	71.6	29%	0.29	39%	0.385	S	S	.	.	H	α-helix	trans	-68.6	-39.5	-173	-53.2	-175.9	-178.2	0	0	111.9	Y809 L815 M860 R863	Y809-E811 PolarHBondContact O-N 2.83Å; Y809-E811 VanDerWaalsContact O-N 3.17Å; E811-L815 PolarHBondContact O-N 2.03Å; E811-M860 HydrophobicContact CB-CE 4.37Å; E811-M860 HydrophobicContact CB-SD 4.49Å; E811-M860 WeakPolarHBondContact OE2-CE 3.24Å; E811-R863 IonicContact OE1-CZ 3.84Å; E811-R863 IonicContact OE1-NE 3.37Å; E811-R863 PolarHBondContact OE1-NE 2.8Å; E811-R863 IonicContact OE1-NH2 2.71Å; E811-R863 PolarHBondContact OE1-NH2 2.81Å; E811-R863 WeakPolarHBondContact OE2-CD 3.35Å; E811-R863 IonicContact OE2-CZ 2.8Å; E811-R863 IonicContact OE2-NE 2.82Å; E811-R863 PolarHBondContact OE2-NE 3.14Å; E811-R863 IonicContact OE2-NH2 3.65Å
812	R	78.8	Confident	75	Confident	12 Å²	12	71.8 Å²	71.8	5%	0.045	38%	0.378	C	S	.	.	H	α-helix	trans	-74.2	-38.8	173.8	-63.8	-178.4	-176.1	169.3	3.8	112.2	Y778 M780 Y809 L814 L815 L816 V955 F956	Y778-R812 HydrophobicContact CD2-CB 4.45Å; M780-R812 PolarHBondContact SD-NH1 2.82Å; Y809-R812 PolarHBondContact O-N 2.92Å; R812-L814 VanDerWaalsContact C-N 3.26Å; R812-L814 PolarHBondContact O-N 2.89Å; R812-L815 PolarHBondContact O-N 3.05Å; R812-L816 WeakPolarHBondContact O-CB 3.04Å; R812-L816 VanDerWaalsContact O-CG 3.25Å; R812-L816 WeakPolarHBondContact O-CG 3.36Å; R812-L816 PolarHBondContact O-N 2.89Å; R812-V955 PolarHBondContact NH2-O 2.74Å; R812-F956 PolarHBondContact NE-OXT 2.84Å
813	M	82.8	Confident	77	Confident	76 Å²	76	65.1 Å²	65.1	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-58	-42.1	174.1	-174.8	62.3	78.4	0	0	110.9	Y778 P807 Y809 L810 L816 L817	Y778-M813 HydrophobicContact CD2-CE 4.27Å; Y778-M813 HydrophobicContact CE1-CE 4.34Å; Y778-M813 HydrophobicContact CE2-CB 4.07Å; Y778-M813 HydrophobicContact CE2-CE 3.72Å; P807-M813 HydrophobicContact CB-CB 3.77Å; P807-M813 HydrophobicContact CB-CE 4.12Å; P807-M813 HydrophobicContact CB-CG 3.93Å; P807-M813 HydrophobicContact CG-CB 4.4Å; P807-M813 HydrophobicContact CG-CG 4.46Å; Y809-M813 PolarHBondContact O-N 3.05Å; L810-M813 PolarHBondContact O-N 2.91Å; M813-L816 PolarHBondContact O-N 2.82Å; M813-L817 VanDerWaalsContact O-CB 3.28Å; M813-L817 WeakPolarHBondContact O-CB 3.48Å; M813-L817 PolarHBondContact O-N 3.41Å
814	L	84.8	Confident	79	Confident	102 Å²	102	67.5 Å²	67.5	53%	0.534	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-47.1	176.8	-176	66	0	0	0	112.1	L810 R812 L816 L817 I818	L810-L814 PolarHBondContact O-N 3.13Å; R812-L814 VanDerWaalsContact C-N 3.26Å; R812-L814 PolarHBondContact O-N 2.89Å; L814-L816 PolarHBondContact O-N 3.39Å; L814-L817 PolarHBondContact O-N 3.03Å; L814-I818 HydrophobicContact CD1-CD1 4.29Å; L814-I818 HydrophobicContact CG-CD1 4.12Å; L814-I818 VanDerWaalsContact O-CG1 3.29Å; L814-I818 WeakPolarHBondContact O-CG1 3.14Å; L814-I818 PolarHBondContact O-N 3.03Å; L814-I818 VanDerWaalsContact O-N 3.1Å
815	L	83.2	Confident	81	Confident	29 Å²	29	69.5 Å²	69.5	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-55	-52.6	174.1	172.6	66.7	0	0	0	111.3	E811 R812 L817 I818 A819 F856	E811-L815 PolarHBondContact O-N 2.03Å; R812-L815 PolarHBondContact O-N 3.05Å; L815-L817 VanDerWaalsContact C-N 3.31Å; L815-L817 PolarHBondContact O-N 3.37Å; L815-I818 PolarHBondContact O-N 2.74Å; L815-I818 VanDerWaalsContact O-N 3.16Å; L815-A819 WeakPolarHBondContact O-CB 3.37Å; L815-A819 PolarHBondContact O-N 3.05Å; L815-F856 HydrophobicContact CB-CD2 3.8Å; L815-F856 HydrophobicContact CB-CE2 3.73Å; L815-F856 HydrophobicContact CB-CG 4.44Å; L815-F856 HydrophobicContact CB-CZ 4.33Å; L815-F856 HydrophobicContact CD1-CB 3.66Å; L815-F856 HydrophobicContact CD1-CD2 3.68Å; L815-F856 HydrophobicContact CD1-CE2 4.46Å; L815-F856 HydrophobicContact CD1-CG 3.72Å; L815-F856 HydrophobicContact CD2-CB 4.12Å; L815-F856 HydrophobicContact CD2-CD1 3.49Å; L815-F856 VanDerWaalsContact CD2-CD1 3.49Å; L815-F856 HydrophobicContact CD2-CD2 3.69Å; L815-F856 HydrophobicContact CD2-CE1 3.68Å; L815-F856 HydrophobicContact CD2-CE2 3.87Å; L815-F856 HydrophobicContact CD2-CG 3.48Å; L815-F856 VanDerWaalsContact CD2-CG 3.48Å; L815-F856 HydrophobicContact CD2-CZ 3.86Å; L815-F856 HydrophobicContact CG-CB 4.46Å; L815-F856 HydrophobicContact CG-CD2 3.89Å; L815-F856 HydrophobicContact CG-CE2 4.21Å; L815-F856 HydrophobicContact CG-CG 4.04Å
816	L	85.7	Confident	82.9	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-35.1	-173.8	-70.9	168.8	0	0	0	111.5	T774 I777 Y778 R812 M813 L814 A819 N820	T774-L816 HydrophobicContact CG2-CB 3.99Å; T774-L816 HydrophobicContact CG2-CD1 4.18Å; T774-L816 HydrophobicContact CG2-CD2 4.18Å; T774-L816 HydrophobicContact CG2-CG 4.34Å; I777-L816 HydrophobicContact CB-CD2 4.22Å; I777-L816 HydrophobicContact CG2-CD1 4.36Å; I777-L816 HydrophobicContact CG2-CD2 3.99Å; Y778-L816 HydrophobicContact CD2-CD1 3.99Å; Y778-L816 HydrophobicContact CG-CD1 4.36Å; R812-L816 WeakPolarHBondContact O-CB 3.04Å; R812-L816 VanDerWaalsContact O-CG 3.25Å; R812-L816 WeakPolarHBondContact O-CG 3.36Å; R812-L816 PolarHBondContact O-N 2.89Å; M813-L816 PolarHBondContact O-N 2.82Å; L814-L816 PolarHBondContact O-N 3.39Å; L816-A819 PolarHBondContact O-N 2.92Å; L816-N820 WeakPolarHBondContact O-CB 3.22Å; L816-N820 PolarHBondContact O-N 3.18Å; L816-N820 PolarHBondContact O-ND2 2.68Å
817	L	88	Confident	84.9	Confident	109 Å²	109	53.5 Å²	53.5	57%	0.571	28%	0.284	S	S	*	.	H	α-helix	trans	-63.7	-43.1	172.7	-173.9	149.1	0	0	0	111.5	M813 L814 L815 L821	M813-L817 VanDerWaalsContact O-CB 3.28Å; M813-L817 WeakPolarHBondContact O-CB 3.48Å; M813-L817 PolarHBondContact O-N 3.41Å; L814-L817 PolarHBondContact O-N 3.03Å; L815-L817 VanDerWaalsContact C-N 3.31Å; L815-L817 PolarHBondContact O-N 3.37Å; L817-L821 WeakPolarHBondContact O-CB 3.49Å; L817-L821 PolarHBondContact O-N 2.93Å
818	I	90.4	Very high	86.5	Confident	79 Å²	79	53.3 Å²	53.3	41%	0.405	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-42.8	176.1	-61	165	0	0	0	110.5	L814 L815 L821 V822 M852	L814-I818 HydrophobicContact CD1-CD1 4.29Å; L814-I818 HydrophobicContact CG-CD1 4.12Å; L814-I818 VanDerWaalsContact O-CG1 3.29Å; L814-I818 WeakPolarHBondContact O-CG1 3.14Å; L814-I818 PolarHBondContact O-N 3.03Å; L814-I818 VanDerWaalsContact O-N 3.1Å; L815-I818 PolarHBondContact O-N 2.74Å; L815-I818 VanDerWaalsContact O-N 3.16Å; I818-L821 PolarHBondContact O-N 3.17Å; I818-V822 WeakPolarHBondContact O-CG2 3.38Å; I818-V822 PolarHBondContact O-N 2.81Å; I818-M852 HydrophobicContact CB-CE 4.46Å; I818-M852 HydrophobicContact CG2-CE 3.76Å
819	A	89.6	Confident	88.1	Confident	13 Å²	13	56.3 Å²	56.3	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-46.2	177.4	0	0	0	0	0	112.5	L815 L816 V822 N823 M852	L815-A819 WeakPolarHBondContact O-CB 3.37Å; L815-A819 PolarHBondContact O-N 3.05Å; L816-A819 PolarHBondContact O-N 2.92Å; A819-V822 PolarHBondContact O-N 3.12Å; A819-N823 WeakPolarHBondContact O-CB 3.35Å; A819-N823 PolarHBondContact O-N 3.01Å; A819-N823 PolarHBondContact O-ND2 2.9Å; A819-M852 HydrophobicContact CB-CE 4.08Å
820	N	92.4	Very high	89.3	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.08	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-39.1	175.1	-76	-77.6	0	0	0	112	S770 T774 L816 V822 N823 F824	S770-N820 PolarHBondContact OG-OD1 3.21Å; T774-N820 WeakPolarHBondContact CG2-ND2 2.99Å; T774-N820 PolarHBondContact OG1-ND2 3.44Å; T774-N820 PolarHBondContact OG1-OD1 3.02Å; L816-N820 WeakPolarHBondContact O-CB 3.22Å; L816-N820 PolarHBondContact O-N 3.18Å; L816-N820 PolarHBondContact O-ND2 2.68Å; N820-V822 VanDerWaalsContact C-N 3.32Å; N820-V822 PolarHBondContact O-N 3.14Å; N820-N823 PolarHBondContact O-N 3.2Å; N820-F824 HydrophobicContact CB-CE1 4.18Å; N820-F824 HydrophobicContact CB-CE2 4.14Å; N820-F824 HydrophobicContact CB-CZ 3.91Å; N820-F824 VanDerWaalsContact O-CB 3.29Å; N820-F824 WeakPolarHBondContact O-CB 3.3Å; N820-F824 VanDerWaalsContact O-CD1 3.26Å; N820-F824 WeakPolarHBondContact O-CD1 3.27Å; N820-F824 WeakPolarHBondContact O-CD2 3.38Å; N820-F824 WeakPolarHBondContact O-CG 3.11Å; N820-F824 PolarHBondContact O-N 2.72Å
821	L	94.2	Very high	90.1	Very high	107 Å²	107	53.4 Å²	53.4	56%	0.56	28%	0.28	S	S	*	.	H	α-helix	trans	-59.6	-42.9	175.8	-178.2	62.9	0	0	0	111.9	L817 I818 T825	L817-L821 WeakPolarHBondContact O-CB 3.49Å; L817-L821 PolarHBondContact O-N 2.93Å; I818-L821 PolarHBondContact O-N 3.17Å; L821-T825 WeakPolarHBondContact O-CB 3.16Å; L821-T825 PolarHBondContact O-N 2.95Å; L821-T825 PolarHBondContact O-OG1 2.88Å
822	V	94.8	Very high	90.9	Very high	44 Å²	44	55.6 Å²	55.6	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-47.5	174	173.7	0	0	0	0	111.3	I818 A819 N820 F824 T825 I826 I848 M852	I818-V822 WeakPolarHBondContact O-CG2 3.38Å; I818-V822 PolarHBondContact O-N 2.81Å; A819-V822 PolarHBondContact O-N 3.12Å; N820-V822 VanDerWaalsContact C-N 3.32Å; N820-V822 PolarHBondContact O-N 3.14Å; V822-F824 VanDerWaalsContact C-N 3.34Å; V822-F824 PolarHBondContact O-N 3.21Å; V822-T825 WeakPolarHBondContact O-CB 3.5Å; V822-T825 PolarHBondContact O-N 2.99Å; V822-T825 VanDerWaalsContact O-N 3.13Å; V822-I826 HydrophobicContact CG1-CD1 3.85Å; V822-I826 WeakPolarHBondContact O-CG1 3.49Å; V822-I826 PolarHBondContact O-N 3.1Å; V822-I848 HydrophobicContact CG1-CG2 3.65Å; V822-M852 HydrophobicContact CB-CE 4.33Å; V822-M852 HydrophobicContact CB-SD 3.93Å; V822-M852 HydrophobicContact CG1-SD 3.89Å; V822-M852 HydrophobicContact CG2-CE 4Å; V822-M852 HydrophobicContact CG2-SD 3.94Å
823	N	95.1	Very high	91.5	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.053	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-38.9	177.5	-74	-31	0	0	0	112.6	F766 S770 A819 N820 T825 I826 A827 N849	F766-N823 HydrophobicContact CE1-CB 4.34Å; F766-N823 WeakPolarHBondContact CE1-O 3.43Å; F766-N823 HydrophobicContact CZ-CB 3.8Å; S770-N823 PolarHBondContact OG-ND2 3.45Å; A819-N823 WeakPolarHBondContact O-CB 3.35Å; A819-N823 PolarHBondContact O-N 3.01Å; A819-N823 PolarHBondContact O-ND2 2.9Å; N820-N823 PolarHBondContact O-N 3.2Å; N823-T825 VanDerWaalsContact C-N 3.34Å; N823-I826 PolarHBondContact O-N 3.19Å; N823-A827 WeakPolarHBondContact O-CB 3.49Å; N823-A827 PolarHBondContact O-N 3.26Å; N823-N849 PolarHBondContact ND2-OD1 3Å; N823-N849 PolarHBondContact OD1-ND2 3.06Å; N823-N849 PolarHBondContact OD1-OD1 2.83Å
824	F	94.7	Very high	91.9	Very high	96 Å²	96	63.4 Å²	63.4	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-66.5	-36.1	174.9	-62.9	-9.5	0	0	0	111.6	L767 N820 V822 A827 G828	L767-F824 HydrophobicContact CD2-CD1 3.32Å; L767-F824 HydrophobicContact CD2-CE1 3.66Å; L767-F824 HydrophobicContact CD2-CG 4.27Å; N820-F824 HydrophobicContact CB-CE1 4.18Å; N820-F824 HydrophobicContact CB-CE2 4.14Å; N820-F824 HydrophobicContact CB-CZ 3.91Å; N820-F824 VanDerWaalsContact O-CB 3.29Å; N820-F824 WeakPolarHBondContact O-CB 3.3Å; N820-F824 VanDerWaalsContact O-CD1 3.26Å; N820-F824 WeakPolarHBondContact O-CD1 3.27Å; N820-F824 WeakPolarHBondContact O-CD2 3.38Å; N820-F824 WeakPolarHBondContact O-CG 3.11Å; N820-F824 PolarHBondContact O-N 2.72Å; V822-F824 VanDerWaalsContact C-N 3.34Å; V822-F824 PolarHBondContact O-N 3.21Å; F824-A827 PolarHBondContact O-N 2.03Å; F824-G828 PolarHBondContact O-N 3.01Å
825	T	95.4	Very high	92.2	Very high	93 Å²	93	60 Å²	60	57%	0.571	31%	0.31	S	S	*	.	H	α-helix	trans	-65	-42.6	173.6	-55.6	0	0	0	0	111.1	L821 V822 N823 G828 Y829	L821-T825 WeakPolarHBondContact O-CB 3.16Å; L821-T825 PolarHBondContact O-N 2.95Å; L821-T825 PolarHBondContact O-OG1 2.88Å; V822-T825 WeakPolarHBondContact O-CB 3.5Å; V822-T825 PolarHBondContact O-N 2.99Å; V822-T825 VanDerWaalsContact O-N 3.13Å; N823-T825 VanDerWaalsContact C-N 3.34Å; T825-G828 PolarHBondContact O-N 2.92Å; T825-Y829 PolarHBondContact O-N 3.06Å
826	I	95.5	Very high	92.3	Very high	21 Å²	21	65.9 Å²	65.9	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-41.2	175.8	-63.4	162.7	0	0	0	111.1	V822 N823 G828 Y829 G830 F841 I845 I848	V822-I826 HydrophobicContact CG1-CD1 3.85Å; V822-I826 WeakPolarHBondContact O-CG1 3.49Å; V822-I826 PolarHBondContact O-N 3.1Å; N823-I826 PolarHBondContact O-N 3.19Å; I826-G828 PolarHBondContact O-N 3.21Å; I826-Y829 WeakPolarHBondContact O-CB 3.41Å; I826-Y829 PolarHBondContact O-N 2.75Å; I826-G830 PolarHBondContact O-N 2.59Å; I826-F841 HydrophobicContact CG2-CD2 4.49Å; I826-F841 HydrophobicContact CG2-CE2 3.59Å; I826-F841 HydrophobicContact CG2-CZ 3.83Å; I826-I845 HydrophobicContact CG2-CD1 4.28Å; I826-I845 HydrophobicContact CG2-CG1 3.7Å; I826-I848 HydrophobicContact CD1-CB 4.41Å; I826-I848 HydrophobicContact CD1-CD1 3.75Å; I826-I848 HydrophobicContact CD1-CG2 4.22Å; I826-I848 HydrophobicContact CG1-CD1 4.49Å
827	A	94.7	Very high	92.5	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-45.2	174.7	0	0	0	0	0	111.9	T763 F766 L767 N823 F824 Y829 G830 I831	T763-A827 HydrophobicContact CG2-CB 4.26Å; F766-A827 HydrophobicContact CD1-CB 3.92Å; F766-A827 HydrophobicContact CE1-CB 3.95Å; L767-A827 HydrophobicContact CD2-CB 4.01Å; L767-A827 HydrophobicContact CG-CB 4.48Å; N823-A827 WeakPolarHBondContact O-CB 3.49Å; N823-A827 PolarHBondContact O-N 3.26Å; F824-A827 PolarHBondContact O-N 2.03Å; A827-Y829 PolarHBondContact O-N 3.46Å; A827-G830 PolarHBondContact O-N 2.72Å; A827-I831 PolarHBondContact O-N 2.67Å; A827-I831 VanDerWaalsContact O-N 3.08Å
828	G	94.2	Very high	92.7	Very high	34 Å²	34	61.3 Å²	61.3	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-39.3	175	0	0	0	0	0	113.2	F824 T825 I826 I831 V832	F824-G828 PolarHBondContact O-N 3.01Å; T825-G828 PolarHBondContact O-N 2.92Å; I826-G828 PolarHBondContact O-N 3.21Å; G828-I831 WeakPolarHBondContact O-CG2 3.48Å; G828-V832 VanDerWaalsContact O-CG2 3.31Å; G828-V832 WeakPolarHBondContact O-CG2 3.49Å; G828-V832 PolarHBondContact O-N 3.24Å
829	Y	94.8	Very high	92.8	Very high	133 Å²	133	57.6 Å²	57.6	52%	0.522	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-46.2	172	175.2	-90.5	0	0	0	111.7	T825 I826 A827 V832 K833 F841	T825-Y829 PolarHBondContact O-N 3.06Å; I826-Y829 WeakPolarHBondContact O-CB 3.41Å; I826-Y829 PolarHBondContact O-N 2.75Å; A827-Y829 PolarHBondContact O-N 3.46Å; Y829-V832 PolarHBondContact O-N 3.3Å; Y829-K833 HydrophobicContact CD2-CG 4.1Å; Y829-K833 HydrophobicContact CE1-CB 4.35Å; Y829-K833 HydrophobicContact CE2-CB 4.32Å; Y829-K833 HydrophobicContact CE2-CG 3.76Å; Y829-K833 WeakPolarHBondContact O-CB 3.45Å; Y829-K833 PolarHBondContact O-N 3.44Å; Y829-F841 HydrophobicContact CD1-CD2 4.3Å; Y829-F841 HydrophobicContact CD1-CE2 4.12Å
830	G	93.8	Very high	92.9	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-52.6	-179.9	0	0	0	0	0	113	I826 A827 V832 R834	I826-G830 PolarHBondContact O-N 2.59Å; A827-G830 PolarHBondContact O-N 2.72Å; G830-V832 VanDerWaalsContact C-N 3.32Å; G830-V832 PolarHBondContact O-N 3.31Å; G830-R834 WeakPolarHBondContact O-CA 3.4Å; G830-R834 PolarHBondContact O-N 3.33Å
831	I	92.6	Very high	93	Very high	73 Å²	73	59 Å²	59	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-30.2	-178	-163.9	169.1	0	0	0	113.5	I760 A827 G828 R834	I760-I831 HydrophobicContact CG1-CD1 4.33Å; A827-I831 PolarHBondContact O-N 2.67Å; A827-I831 VanDerWaalsContact O-N 3.08Å; G828-I831 WeakPolarHBondContact O-CG2 3.48Å; I831-R834 WeakPolarHBondContact O-CG 3.41Å
832	V	92.9	Very high	93	Very high	107 Å²	107	54.3 Å²	54.3	65%	0.648	27%	0.269	S	S	*	.	H	α-helix	trans	-79.7	-48.6	178.4	172.5	0	0	0	0	111.8	G828 Y829 G830	G828-V832 VanDerWaalsContact O-CG2 3.31Å; G828-V832 WeakPolarHBondContact O-CG2 3.49Å; G828-V832 PolarHBondContact O-N 3.24Å; Y829-V832 PolarHBondContact O-N 3.3Å; G830-V832 VanDerWaalsContact C-N 3.32Å; G830-V832 PolarHBondContact O-N 3.31Å
833	K	91.5	Very high	92.9	Very high	141 Å²	141	53 Å²	53	61%	0.613	26%	0.261	S	S	*	.	H	α-helix	trans	-88.7	-29	-173.1	-71.1	-62.6	-172.2	180	0	114.2	Y829	Y829-K833 HydrophobicContact CD2-CG 4.1Å; Y829-K833 HydrophobicContact CE1-CB 4.35Å; Y829-K833 HydrophobicContact CE2-CB 4.32Å; Y829-K833 HydrophobicContact CE2-CG 3.76Å; Y829-K833 WeakPolarHBondContact O-CB 3.45Å; Y829-K833 PolarHBondContact O-N 3.44Å
834	R	92.1	Very high	92.9	Very high	112 Å²	112	54.5 Å²	54.5	42%	0.423	27%	0.272	S	S	.	.			trans	44.7	57.8	179.1	-60.7	176	-70.7	178.5	-3.7	112.3	W759 G830 I831	W759-R834 HydrophobicContact CB-CG 4.29Å; W759-R834 HydrophobicContact CD2-CB 4.32Å; W759-R834 HydrophobicContact CD2-CG 4.07Å; W759-R834 HydrophobicContact CG-CB 4.27Å; W759-R834 HydrophobicContact CG-CG 3.78Å; G830-R834 WeakPolarHBondContact O-CA 3.4Å; G830-R834 PolarHBondContact O-N 3.33Å; I831-R834 WeakPolarHBondContact O-CG 3.41Å
835	P	89.8	Confident	92.8	Very high	29 Å²	29	50.4 Å²	50.4	19%	0.188	26%	0.255	C	S	.	.			trans	-55.1	141.8	-178.7	24.8	-35.6	0	0	0	111.5	W759 F841	W759-P835 HydrophobicContact CH2-CG 3.81Å; W759-P835 HydrophobicContact CZ2-CG 3.91Å; W759-P835 WeakPolarHBondContact CZ2-O 3.34Å; P835-F841 HydrophobicContact CG-CB 4.01Å; P835-F841 HydrophobicContact CG-CD2 4.36Å; P835-F841 HydrophobicContact CG-CG 4.27Å
836	R	86.8	Confident	92.7	Very high	154 Å²	154	48.2 Å²	48.2	58%	0.581	24%	0.237	S	C	*	.	S	Bend	trans	-69.8	-38.2	178.3	-170.9	179.8	-176	171.5	5.5	111	F838 E898	R836-F838 PolarHBondContact O-N 3.21Å; R836-E898 HydrophobicContact CB-CG 4.4Å; R836-E898 VanDerWaalsContact CD-O 3.26Å; R836-E898 WeakPolarHBondContact CD-O 3.14Å; R836-E898 PolarHBondContact NH1-O 3.27Å
837	D	89.1	Confident	92.6	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.112	25%	0.247	C	C	.	.			trans	-75.4	75.4	166.8	-168.9	-4.7	0	0	0	111.4	S839 T840 F841 W897 E898	D837-S839 PolarHBondContact O-N 2.6Å; D837-S839 WeakPolarHBondContact OD1-CB 3.46Å; D837-S839 PolarHBondContact OD1-N 3.01Å; D837-S839 VanDerWaalsContact OD1-N 3.16Å; D837-T840 VanDerWaalsContact CG-CB 3.45Å; D837-T840 VanDerWaalsContact CG-OG1 3.26Å; D837-T840 PolarHBondContact OD1-N 3.14Å; D837-T840 PolarHBondContact OD1-OG1 3.24Å; D837-T840 WeakPolarHBondContact OD2-CB 3.34Å; D837-T840 PolarHBondContact OD2-OG1 3.11Å; D837-F841 PolarHBondContact O-N 2.94Å; D837-W897 HydrophobicContact CB-CH2 4.04Å; D837-W897 HydrophobicContact CB-CZ2 3.95Å; D837-E898 HydrophobicContact CB-CG 3.93Å
838	F	92.2	Very high	92.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-29.5	171.4	177.6	-100.4	0	0	0	112	L746 V751 F758 W759 F762 R836 F841 L842	L746-F838 VanDerWaalsContact O-CE1 3.29Å; L746-F838 WeakPolarHBondContact O-CE1 3.34Å; V751-F838 HydrophobicContact CG2-CB 4.26Å; F758-F838 AromaticContact CE1-CD2 3.87Å; F758-F838 HydrophobicContact CE1-CD2 3.87Å; F758-F838 HydrophobicContact CE1-CE1 4.38Å; F758-F838 AromaticContact CE1-CE2 3.65Å; F758-F838 HydrophobicContact CE1-CE2 3.65Å; F758-F838 HydrophobicContact CE1-CG 4.34Å; F758-F838 AromaticContact CE1-CZ 3.92Å; F758-F838 HydrophobicContact CE1-CZ 3.92Å; F758-F838 HydrophobicContact CZ-CD2 4.47Å; F758-F838 HydrophobicContact CZ-CE1 4.04Å; F758-F838 HydrophobicContact CZ-CE2 4.01Å; F758-F838 AromaticContact CZ-CZ 3.77Å; F758-F838 HydrophobicContact CZ-CZ 3.77Å; W759-F838 AromaticContact CH2-CD2 3.7Å; W759-F838 HydrophobicContact CH2-CD2 3.7Å; W759-F838 HydrophobicContact CH2-CE2 4.21Å; W759-F838 AromaticContact CZ2-CD2 3.75Å; W759-F838 HydrophobicContact CZ2-CD2 3.75Å; W759-F838 HydrophobicContact CZ3-CD2 4.33Å; W759-F838 HydrophobicContact CZ3-CE2 4.41Å; F762-F838 AromaticContact CD1-CE2 3.91Å; F762-F838 HydrophobicContact CD1-CE2 3.91Å; F762-F838 HydrophobicContact CD1-CZ 4.26Å; F762-F838 HydrophobicContact CD2-CE2 4.13Å; F762-F838 AromaticContact CD2-CZ 3.67Å; F762-F838 HydrophobicContact CD2-CZ 3.67Å; F762-F838 HydrophobicContact CE1-CE2 4.02Å; F762-F838 HydrophobicContact CE1-CZ 4.22Å; F762-F838 HydrophobicContact CE2-CE2 4.21Å; F762-F838 AromaticContact CE2-CZ 3.6Å; F762-F838 HydrophobicContact CE2-CZ 3.6Å; F762-F838 AromaticContact CG-CE2 3.98Å; F762-F838 HydrophobicContact CG-CE2 3.98Å; F762-F838 HydrophobicContact CG-CZ 4Å; F762-F838 HydrophobicContact CZ-CE2 4.15Å; F762-F838 AromaticContact CZ-CZ 3.89Å; F762-F838 HydrophobicContact CZ-CZ 3.89Å; R836-F838 PolarHBondContact O-N 3.21Å; F838-F841 HydrophobicContact CD2-CD1 4.25Å; F838-F841 HydrophobicContact CE2-CD1 4.22Å; F838-F841 WeakPolarHBondContact O-CB 3.2Å; F838-F841 PolarHBondContact O-N 2.92Å; F838-L842 HydrophobicContact CE1-CB 4.4Å; F838-L842 HydrophobicContact CE1-CD2 3.98Å; F838-L842 WeakPolarHBondContact O-CB 3.42Å; F838-L842 PolarHBondContact O-N 2.9Å
839	S	92	Very high	92.6	Very high	1 Å²	1	53 Å²	53	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-46.2	-177.4	-60.5	0	0	0	0	112.1	F703 Y711 V751 D837 F841 L842 L843	F703-S839 WeakPolarHBondContact CD2-OG 3.48Å; F703-S839 WeakPolarHBondContact CE2-OG 3.46Å; Y711-S839 VanDerWaalsContact OH-CA 3.22Å; Y711-S839 WeakPolarHBondContact OH-CA 3.46Å; Y711-S839 WeakPolarHBondContact OH-CB 3.4Å; Y711-S839 PolarHBondContact OH-O 3.01Å; V751-S839 WeakPolarHBondContact CG2-OG 3.5Å; D837-S839 PolarHBondContact O-N 2.6Å; D837-S839 WeakPolarHBondContact OD1-CB 3.46Å; D837-S839 PolarHBondContact OD1-N 3.01Å; D837-S839 VanDerWaalsContact OD1-N 3.16Å; S839-F841 VanDerWaalsContact C-N 3.31Å; S839-F841 PolarHBondContact O-N 2.96Å; S839-L842 PolarHBondContact O-N 2.84Å; S839-L843 WeakPolarHBondContact O-CB 3.48Å; S839-L843 PolarHBondContact O-N 2.76Å
840	T	91.7	Very high	92.6	Very high	44 Å²	44	47.8 Å²	47.8	27%	0.27	23%	0.233	S	C	.	.	H	α-helix	trans	-65.8	-33.9	173.1	-67.4	0	0	0	0	111.9	D837 L843 S844 Y890	D837-T840 VanDerWaalsContact CG-CB 3.45Å; D837-T840 VanDerWaalsContact CG-OG1 3.26Å; D837-T840 PolarHBondContact OD1-N 3.14Å; D837-T840 PolarHBondContact OD1-OG1 3.24Å; D837-T840 WeakPolarHBondContact OD2-CB 3.34Å; D837-T840 PolarHBondContact OD2-OG1 3.11Å; T840-L843 PolarHBondContact O-N 2.86Å; T840-S844 WeakPolarHBondContact O-CB 3.03Å; T840-S844 PolarHBondContact O-N 3.11Å; T840-S844 PolarHBondContact O-OG 2.71Å; T840-Y890 WeakPolarHBondContact CG2-OH 3.19Å
841	F	94.3	Very high	92.6	Very high	14 Å²	14	53.7 Å²	53.7	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-45.9	172.1	171.1	-97.3	0	0	0	111.9	W759 F762 I826 Y829 P835 D837 F838 S839 S844 I845	W759-F841 AromaticContact CH2-CD1 3.66Å; W759-F841 HydrophobicContact CH2-CD1 3.66Å; W759-F841 AromaticContact CH2-CE1 3.86Å; W759-F841 HydrophobicContact CH2-CE1 3.86Å; W759-F841 HydrophobicContact CH2-CG 4.03Å; W759-F841 HydrophobicContact CH2-CZ 4.4Å; W759-F841 AromaticContact CZ3-CD1 3.93Å; W759-F841 HydrophobicContact CZ3-CD1 3.93Å; W759-F841 AromaticContact CZ3-CE1 3.61Å; W759-F841 HydrophobicContact CZ3-CE1 3.61Å; W759-F841 AromaticContact CZ3-CZ 3.99Å; W759-F841 HydrophobicContact CZ3-CZ 3.99Å; F762-F841 AromaticContact CE1-CE1 3.91Å; F762-F841 HydrophobicContact CE1-CE1 3.91Å; I826-F841 HydrophobicContact CG2-CD2 4.49Å; I826-F841 HydrophobicContact CG2-CE2 3.59Å; I826-F841 HydrophobicContact CG2-CZ 3.83Å; Y829-F841 HydrophobicContact CD1-CD2 4.3Å; Y829-F841 HydrophobicContact CD1-CE2 4.12Å; P835-F841 HydrophobicContact CG-CB 4.01Å; P835-F841 HydrophobicContact CG-CD2 4.36Å; P835-F841 HydrophobicContact CG-CG 4.27Å; D837-F841 PolarHBondContact O-N 2.94Å; F838-F841 HydrophobicContact CD2-CD1 4.25Å; F838-F841 HydrophobicContact CE2-CD1 4.22Å; F838-F841 WeakPolarHBondContact O-CB 3.2Å; F838-F841 PolarHBondContact O-N 2.92Å; S839-F841 VanDerWaalsContact C-N 3.31Å; S839-F841 PolarHBondContact O-N 2.96Å; F841-S844 WeakPolarHBondContact O-CB 3.36Å; F841-S844 PolarHBondContact O-N 2.9Å; F841-I845 HydrophobicContact CD1-CD1 4.3Å; F841-I845 HydrophobicContact CE1-CD1 3.75Å; F841-I845 HydrophobicContact CZ-CD1 4.04Å; F841-I845 PolarHBondContact O-N 2.78Å
842	L	94.4	Very high	92.6	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-41.1	175.6	-177.3	58.3	0	0	0	111.7	Y711 V743 F762 F838 S839 S844 I845 F846	Y711-L842 HydrophobicContact CE1-CB 4.37Å; Y711-L842 HydrophobicContact CE1-CD2 4.42Å; Y711-L842 HydrophobicContact CE1-CG 4.14Å; Y711-L842 HydrophobicContact CE2-CD2 4.24Å; V743-L842 HydrophobicContact CG1-CD1 4.44Å; V743-L842 HydrophobicContact CG1-CD2 3.9Å; V743-L842 HydrophobicContact CG1-CG 4.39Å; F762-L842 HydrophobicContact CZ-CD1 4.25Å; F838-L842 HydrophobicContact CE1-CB 4.4Å; F838-L842 HydrophobicContact CE1-CD2 3.98Å; F838-L842 WeakPolarHBondContact O-CB 3.42Å; F838-L842 PolarHBondContact O-N 2.9Å; S839-L842 PolarHBondContact O-N 2.84Å; L842-S844 VanDerWaalsContact C-N 3.29Å; L842-S844 PolarHBondContact O-N 2.93Å; L842-I845 WeakPolarHBondContact O-CB 3.39Å; L842-I845 PolarHBondContact O-N 2.82Å; L842-F846 HydrophobicContact CD1-CD2 4.48Å; L842-F846 HydrophobicContact CD1-CE2 4.21Å; L842-F846 WeakPolarHBondContact O-CD2 3.25Å; L842-F846 PolarHBondContact O-N 2.67Å
843	L	94.1	Very high	92.5	Very high	16 Å²	16	48 Å²	48	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-40.6	174	-175.4	60.5	0	0	0	111.5	T707 M710 Y711 S839 T840 I845 F846 M847	T707-L843 HydrophobicContact CG2-CD2 4.41Å; M710-L843 HydrophobicContact CB-CD1 3.71Å; M710-L843 HydrophobicContact CB-CD2 4.41Å; M710-L843 HydrophobicContact SD-CD2 3.62Å; Y711-L843 HydrophobicContact CD1-CB 4.49Å; Y711-L843 HydrophobicContact CD1-CD1 3.95Å; Y711-L843 HydrophobicContact CE1-CB 3.86Å; Y711-L843 HydrophobicContact CE1-CD1 4.14Å; S839-L843 WeakPolarHBondContact O-CB 3.48Å; S839-L843 PolarHBondContact O-N 2.76Å; T840-L843 PolarHBondContact O-N 2.86Å; L843-I845 VanDerWaalsContact C-N 3.3Å; L843-I845 PolarHBondContact O-N 2.89Å; L843-F846 PolarHBondContact O-N 2.94Å; L843-F846 VanDerWaalsContact O-N 3.16Å; L843-M847 HydrophobicContact CD1-CE 3.81Å; L843-M847 HydrophobicContact CD1-CG 4.1Å; L843-M847 HydrophobicContact CG-CG 4.17Å; L843-M847 WeakPolarHBondContact O-CB 3.48Å; L843-M847 WeakPolarHBondContact O-CG 3.49Å; L843-M847 PolarHBondContact O-N 2.92Å
844	S	93.5	Very high	92.5	Very high	42 Å²	42	43.6 Å²	43.6	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-37.8	177.3	-59.5	0	0	0	0	111.9	T840 F841 L842 M847 I848	T840-S844 WeakPolarHBondContact O-CB 3.03Å; T840-S844 PolarHBondContact O-N 3.11Å; T840-S844 PolarHBondContact O-OG 2.71Å; F841-S844 WeakPolarHBondContact O-CB 3.36Å; F841-S844 PolarHBondContact O-N 2.9Å; L842-S844 VanDerWaalsContact C-N 3.29Å; L842-S844 PolarHBondContact O-N 2.93Å; S844-M847 PolarHBondContact O-N 2.74Å; S844-I848 VanDerWaalsContact O-CB 3.29Å; S844-I848 WeakPolarHBondContact O-CB 3.44Å; S844-I848 WeakPolarHBondContact O-CD1 3.49Å; S844-I848 WeakPolarHBondContact O-CG1 3.19Å; S844-I848 PolarHBondContact O-N 3.32Å
845	I	94.1	Very high	92.5	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-49.5	172.7	-66.7	166.5	0	0	0	110.4	F762 F766 I826 F841 L842 L843 N849	F762-I845 HydrophobicContact CZ-CD1 4.37Å; F766-I845 HydrophobicContact CD1-CD1 4.42Å; F766-I845 HydrophobicContact CD2-CD1 4.41Å; F766-I845 HydrophobicContact CE1-CD1 4.03Å; F766-I845 HydrophobicContact CE2-CD1 4.05Å; F766-I845 HydrophobicContact CE2-CG1 4.45Å; F766-I845 HydrophobicContact CE2-CG2 3.53Å; F766-I845 HydrophobicContact CZ-CD1 3.84Å; F766-I845 HydrophobicContact CZ-CG1 4.04Å; F766-I845 HydrophobicContact CZ-CG2 3.75Å; I826-I845 HydrophobicContact CG2-CD1 4.28Å; I826-I845 HydrophobicContact CG2-CG1 3.7Å; F841-I845 HydrophobicContact CD1-CD1 4.3Å; F841-I845 HydrophobicContact CE1-CD1 3.75Å; F841-I845 HydrophobicContact CZ-CD1 4.04Å; F841-I845 PolarHBondContact O-N 2.78Å; L842-I845 WeakPolarHBondContact O-CB 3.39Å; L842-I845 PolarHBondContact O-N 2.82Å; L843-I845 VanDerWaalsContact C-N 3.3Å; L843-I845 PolarHBondContact O-N 2.89Å; I845-N849 WeakPolarHBondContact O-CB 3.42Å; I845-N849 PolarHBondContact O-N 2.94Å; I845-N849 VanDerWaalsContact O-N 3.16Å; I845-N849 PolarHBondContact O-ND2 2.96Å
846	F	93.4	Very high	92.6	Very high	47 Å²	47	44.3 Å²	44.3	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-48.7	178.4	-86.7	-97.2	0	0	0	112	M715 M740 V743 L842 L843 L850	M715-F846 HydrophobicContact CB-CE1 4.45Å; M740-F846 HydrophobicContact CE-CE1 4.01Å; M740-F846 HydrophobicContact CE-CZ 3.93Å; M740-F846 HydrophobicContact SD-CE1 4.19Å; M740-F846 HydrophobicContact SD-CZ 4.21Å; V743-F846 HydrophobicContact CG1-CE2 3.71Å; V743-F846 HydrophobicContact CG1-CZ 3.89Å; V743-F846 HydrophobicContact CG2-CZ 4.36Å; L842-F846 HydrophobicContact CD1-CD2 4.48Å; L842-F846 HydrophobicContact CD1-CE2 4.21Å; L842-F846 WeakPolarHBondContact O-CD2 3.25Å; L842-F846 PolarHBondContact O-N 2.67Å; L843-F846 PolarHBondContact O-N 2.94Å; L843-F846 VanDerWaalsContact O-N 3.16Å; F846-L850 VanDerWaalsContact O-CB 3.24Å; F846-L850 WeakPolarHBondContact O-CB 3.47Å; F846-L850 PolarHBondContact O-N 2.79Å
847	M	93.9	Very high	92.8	Very high	65 Å²	65	37.6 Å²	37.6	32%	0.32	19%	0.192	S	C	.	.	H	α-helix	trans	-68.5	-39.5	-175.3	-69.3	-63.4	-179.9	0	0	112.8	L843 S844 L850 L851	L843-M847 HydrophobicContact CD1-CE 3.81Å; L843-M847 HydrophobicContact CD1-CG 4.1Å; L843-M847 HydrophobicContact CG-CG 4.17Å; L843-M847 WeakPolarHBondContact O-CB 3.48Å; L843-M847 WeakPolarHBondContact O-CG 3.49Å; L843-M847 PolarHBondContact O-N 2.92Å; S844-M847 PolarHBondContact O-N 2.74Å; M847-L850 PolarHBondContact O-N 3.22Å; M847-L850 HydrophobicContact SD-CD2 4.42Å; M847-L851 WeakPolarHBondContact O-CB 3.35Å; M847-L851 PolarHBondContact O-N 3.15Å
848	I	95	Very high	93	Very high	63 Å²	63	38.1 Å²	38.1	32%	0.323	20%	0.199	S	C	.	.	H	α-helix	trans	-66.9	-46.4	176.9	-68.3	167.5	0	0	0	110.5	V822 I826 S844 L850 L851 M852	V822-I848 HydrophobicContact CG1-CG2 3.65Å; I826-I848 HydrophobicContact CD1-CB 4.41Å; I826-I848 HydrophobicContact CD1-CD1 3.75Å; I826-I848 HydrophobicContact CD1-CG2 4.22Å; I826-I848 HydrophobicContact CG1-CD1 4.49Å; S844-I848 VanDerWaalsContact O-CB 3.29Å; S844-I848 WeakPolarHBondContact O-CB 3.44Å; S844-I848 WeakPolarHBondContact O-CD1 3.49Å; S844-I848 WeakPolarHBondContact O-CG1 3.19Å; S844-I848 PolarHBondContact O-N 3.32Å; I848-L850 VanDerWaalsContact C-N 3.34Å; I848-L850 PolarHBondContact O-N 2.92Å; I848-L851 PolarHBondContact O-N 2.81Å; I848-M852 HydrophobicContact CG2-CG 4.42Å; I848-M852 HydrophobicContact CG2-SD 4.03Å; I848-M852 WeakPolarHBondContact O-CB 3.22Å; I848-M852 VanDerWaalsContact O-CG 3.27Å; I848-M852 WeakPolarHBondContact O-CG 3.26Å; I848-M852 PolarHBondContact O-N 2.92Å
849	N	93.4	Very high	92.9	Very high	33 Å²	33	41.5 Å²	41.5	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-40	176.9	-77.6	-77.6	0	0	0	111.9	N823 I845 M852 Y853	N823-N849 PolarHBondContact ND2-OD1 3Å; N823-N849 PolarHBondContact OD1-ND2 3.06Å; N823-N849 PolarHBondContact OD1-OD1 2.83Å; I845-N849 WeakPolarHBondContact O-CB 3.42Å; I845-N849 PolarHBondContact O-N 2.94Å; I845-N849 VanDerWaalsContact O-N 3.16Å; I845-N849 PolarHBondContact O-ND2 2.96Å; N849-M852 PolarHBondContact O-N 2.9Å; N849-Y853 WeakPolarHBondContact O-CB 3.41Å; N849-Y853 PolarHBondContact O-N 3.01Å
850	L	93.8	Very high	92.7	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-44.4	175	172.1	59	0	0	0	112.3	V717 M718 I721 F846 M847 I848 Y853 T854	V717-L850 HydrophobicContact CB-CD1 4.04Å; V717-L850 HydrophobicContact CB-CD2 4.12Å; V717-L850 HydrophobicContact CG1-CD1 3.51Å; V717-L850 HydrophobicContact CG1-CD2 4.05Å; V717-L850 HydrophobicContact CG1-CG 4.38Å; M718-L850 HydrophobicContact SD-CD1 4.46Å; I721-L850 HydrophobicContact CD1-CD1 3.9Å; F846-L850 VanDerWaalsContact O-CB 3.24Å; F846-L850 WeakPolarHBondContact O-CB 3.47Å; F846-L850 PolarHBondContact O-N 2.79Å; M847-L850 PolarHBondContact O-N 3.22Å; M847-L850 HydrophobicContact SD-CD2 4.42Å; I848-L850 VanDerWaalsContact C-N 3.34Å; I848-L850 PolarHBondContact O-N 2.92Å; L850-Y853 PolarHBondContact O-N 3.39Å; L850-T854 WeakPolarHBondContact O-CB 3.36Å; L850-T854 PolarHBondContact O-N 3.4Å; L850-T854 PolarHBondContact O-OG1 3.4Å
851	L	93.8	Very high	92.7	Very high	125 Å²	125	39.7 Å²	39.7	65%	0.654	21%	0.205	S	C	*	.	H	α-helix	trans	-63.7	-46.1	177.3	-179.2	64.2	0	0	0	111.2	M847 I848 Y853 T854 F855	M847-L851 WeakPolarHBondContact O-CB 3.35Å; M847-L851 PolarHBondContact O-N 3.15Å; I848-L851 PolarHBondContact O-N 2.81Å; L851-Y853 VanDerWaalsContact C-N 3.32Å; L851-Y853 PolarHBondContact O-N 2.73Å; L851-T854 PolarHBondContact O-N 2.76Å; L851-F855 WeakPolarHBondContact O-CB 3.34Å; L851-F855 PolarHBondContact O-N 3.45Å
852	M	92.2	Very high	92.6	Very high	35 Å²	35	44.2 Å²	44.2	17%	0.172	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-42.8	175.8	-72.1	-178.8	68.2	0	0	111.9	I818 A819 V822 I848 N849 F855 F856	I818-M852 HydrophobicContact CB-CE 4.46Å; I818-M852 HydrophobicContact CG2-CE 3.76Å; A819-M852 HydrophobicContact CB-CE 4.08Å; V822-M852 HydrophobicContact CB-CE 4.33Å; V822-M852 HydrophobicContact CB-SD 3.93Å; V822-M852 HydrophobicContact CG1-SD 3.89Å; V822-M852 HydrophobicContact CG2-CE 4Å; V822-M852 HydrophobicContact CG2-SD 3.94Å; I848-M852 HydrophobicContact CG2-CG 4.42Å; I848-M852 HydrophobicContact CG2-SD 4.03Å; I848-M852 WeakPolarHBondContact O-CB 3.22Å; I848-M852 VanDerWaalsContact O-CG 3.27Å; I848-M852 WeakPolarHBondContact O-CG 3.26Å; I848-M852 PolarHBondContact O-N 2.92Å; N849-M852 PolarHBondContact O-N 2.9Å; M852-F855 PolarHBondContact O-N 3.3Å; M852-F856 WeakPolarHBondContact O-CB 3.28Å; M852-F856 PolarHBondContact O-N 3.19Å
853	Y	90.8	Very high	92.3	Very high	24 Å²	24	50.4 Å²	50.4	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-69.9	-38.6	179.1	-172.3	-137.6	0	0	0	112.5	M718 I721 Y722 N849 L850 L851 F856 Y857	M718-Y853 HydrophobicContact CE-CD1 3.8Å; M718-Y853 HydrophobicContact CE-CG 3.99Å; M718-Y853 HydrophobicContact CG-CD1 4.47Å; M718-Y853 HydrophobicContact SD-CD1 3.54Å; M718-Y853 VanDerWaalsContact SD-CD1 3.54Å; M718-Y853 HydrophobicContact SD-CE1 4.45Å; M718-Y853 HydrophobicContact SD-CG 4.09Å; I721-Y853 HydrophobicContact CB-CD1 3.97Å; I721-Y853 HydrophobicContact CB-CE1 3.61Å; I721-Y853 HydrophobicContact CD1-CD1 4.48Å; I721-Y853 HydrophobicContact CG2-CD1 3.75Å; I721-Y853 HydrophobicContact CG2-CE1 3.37Å; I721-Y853 HydrophobicContact CG2-CE2 4.5Å; I721-Y853 HydrophobicContact CG2-CG 4.48Å; Y722-Y853 VanDerWaalsContact CA-OH 3.27Å; Y722-Y853 WeakPolarHBondContact CA-OH 3.3Å; N849-Y853 WeakPolarHBondContact O-CB 3.41Å; N849-Y853 PolarHBondContact O-N 3.01Å; L850-Y853 PolarHBondContact O-N 3.39Å; L851-Y853 VanDerWaalsContact C-N 3.32Å; L851-Y853 PolarHBondContact O-N 2.73Å; Y853-F856 HydrophobicContact CD2-CD1 4.28Å; Y853-F856 HydrophobicContact CE2-CD1 4.26Å; Y853-F856 PolarHBondContact O-N 3.09Å; Y853-Y857 WeakPolarHBondContact O-CB 3.36Å; Y853-Y857 PolarHBondContact O-N 3.17Å
854	T	92.7	Very high	92	Very high	50 Å²	50	51.9 Å²	51.9	31%	0.307	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-43	173.7	-56	0	0	0	0	111.3	I721 L850 L851 Y857 A858	I721-T854 WeakPolarHBondContact CD1-OG1 3.24Å; L850-T854 WeakPolarHBondContact O-CB 3.36Å; L850-T854 PolarHBondContact O-N 3.4Å; L850-T854 PolarHBondContact O-OG1 3.4Å; L851-T854 PolarHBondContact O-N 2.76Å; T854-Y857 WeakPolarHBondContact O-CB 3.49Å; T854-Y857 PolarHBondContact O-N 3.11Å; T854-A858 PolarHBondContact O-N 2.83Å; T854-A858 VanDerWaalsContact O-N 3.15Å
855	F	92.5	Very high	91.7	Very high	139 Å²	139	60.3 Å²	60.3	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-66.6	-42.1	176.9	-175.3	-121	0	0	0	112.2	L851 M852 Y857 A858 I859	L851-F855 WeakPolarHBondContact O-CB 3.34Å; L851-F855 PolarHBondContact O-N 3.45Å; M852-F855 PolarHBondContact O-N 3.3Å; F855-Y857 PolarHBondContact O-N 3.12Å; F855-A858 PolarHBondContact O-N 3.46Å; F855-I859 HydrophobicContact CD1-CD1 3.68Å; F855-I859 HydrophobicContact CD2-CD1 4.47Å; F855-I859 HydrophobicContact CE1-CD1 3.36Å; F855-I859 HydrophobicContact CE1-CG1 4.41Å; F855-I859 HydrophobicContact CE2-CD1 4.19Å; F855-I859 HydrophobicContact CE2-CG1 4.43Å; F855-I859 HydrophobicContact CG-CD1 4.24Å; F855-I859 HydrophobicContact CZ-CD1 3.65Å; F855-I859 HydrophobicContact CZ-CG1 4.3Å; F855-I859 WeakPolarHBondContact O-CG1 3.28Å; F855-I859 PolarHBondContact O-N 3.04Å
856	F	90.7	Very high	91.5	Very high	16 Å²	16	60.2 Å²	60.2	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-46.3	172.2	176.1	-103.5	0	0	0	112	L815 M852 Y853 A858 I859 M860 F956	L815-F856 HydrophobicContact CB-CD2 3.8Å; L815-F856 HydrophobicContact CB-CE2 3.73Å; L815-F856 HydrophobicContact CB-CG 4.44Å; L815-F856 HydrophobicContact CB-CZ 4.33Å; L815-F856 HydrophobicContact CD1-CB 3.66Å; L815-F856 HydrophobicContact CD1-CD2 3.68Å; L815-F856 HydrophobicContact CD1-CE2 4.46Å; L815-F856 HydrophobicContact CD1-CG 3.72Å; L815-F856 HydrophobicContact CD2-CB 4.12Å; L815-F856 HydrophobicContact CD2-CD1 3.49Å; L815-F856 VanDerWaalsContact CD2-CD1 3.49Å; L815-F856 HydrophobicContact CD2-CD2 3.69Å; L815-F856 HydrophobicContact CD2-CE1 3.68Å; L815-F856 HydrophobicContact CD2-CE2 3.87Å; L815-F856 HydrophobicContact CD2-CG 3.48Å; L815-F856 VanDerWaalsContact CD2-CG 3.48Å; L815-F856 HydrophobicContact CD2-CZ 3.86Å; L815-F856 HydrophobicContact CG-CB 4.46Å; L815-F856 HydrophobicContact CG-CD2 3.89Å; L815-F856 HydrophobicContact CG-CE2 4.21Å; L815-F856 HydrophobicContact CG-CG 4.04Å; M852-F856 WeakPolarHBondContact O-CB 3.28Å; M852-F856 PolarHBondContact O-N 3.19Å; Y853-F856 HydrophobicContact CD2-CD1 4.28Å; Y853-F856 HydrophobicContact CE2-CD1 4.26Å; Y853-F856 PolarHBondContact O-N 3.09Å; F856-A858 VanDerWaalsContact C-N 3.28Å; F856-A858 PolarHBondContact O-N 3.17Å; F856-I859 PolarHBondContact O-N 3.06Å; F856-M860 HydrophobicContact CD1-CG 4.02Å; F856-M860 HydrophobicContact CD2-CG 3.9Å; F856-M860 HydrophobicContact CD2-SD 4.44Å; F856-M860 HydrophobicContact CE1-CG 3.6Å; F856-M860 HydrophobicContact CE2-CG 3.47Å; F856-M860 VanDerWaalsContact CE2-CG 3.47Å; F856-M860 HydrophobicContact CE2-SD 3.66Å; F856-M860 HydrophobicContact CG-CG 4.18Å; F856-M860 HydrophobicContact CZ-CG 3.31Å; F856-M860 HydrophobicContact CZ-SD 3.79Å; F856-M860 WeakPolarHBondContact O-CB 3.5Å; F856-M860 WeakPolarHBondContact O-CG 3.44Å; F856-M860 PolarHBondContact O-N 2.63Å; F856-F956 HydrophobicContact CE1-CD2 4.2Å
857	Y	91.9	Very high	91.4	Very high	14 Å²	14	67.5 Å²	67.5	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-55.8	-44.6	177.6	-164.7	-91	0	0	0	111.6	I721 T724 R725 Y853 T854 F855 K861 V941 D942 F956	I721-Y857 HydrophobicContact CG2-CD2 3.65Å; I721-Y857 HydrophobicContact CG2-CE2 4.34Å; I721-Y857 HydrophobicContact CG2-CG 3.96Å; T724-Y857 VanDerWaalsContact CG2-OH 3.26Å; T724-Y857 WeakPolarHBondContact CG2-OH 3.36Å; R725-Y857 HydrophobicContact CG-CE2 3.86Å; R725-Y857 PolarHBondContact NE-OH 2.9Å; R725-Y857 PolarHBondContact NH2-OH 2.77Å; Y853-Y857 WeakPolarHBondContact O-CB 3.36Å; Y853-Y857 PolarHBondContact O-N 3.17Å; T854-Y857 WeakPolarHBondContact O-CB 3.49Å; T854-Y857 PolarHBondContact O-N 3.11Å; F855-Y857 PolarHBondContact O-N 3.12Å; Y857-K861 WeakPolarHBondContact O-CB 3.46Å; Y857-K861 PolarHBondContact O-N 2.8Å; Y857-V941 HydrophobicContact CD1-CG2 4.45Å; Y857-V941 HydrophobicContact CE1-CG1 4.18Å; Y857-V941 HydrophobicContact CE1-CG2 4.15Å; Y857-D942 VanDerWaalsContact OH-CG 3.26Å; Y857-D942 PolarHBondContact OH-OD1 3.05Å; Y857-D942 PolarHBondContact OH-OD2 2.98Å; Y857-F956 AromaticContact CD2-CE2 3.59Å; Y857-F956 HydrophobicContact CD2-CE2 3.59Å; Y857-F956 HydrophobicContact CD2-CZ 4.27Å; Y857-F956 AromaticContact CE2-CE2 3.66Å; Y857-F956 HydrophobicContact CE2-CE2 3.66Å; Y857-F956 AromaticContact CE2-CZ 3.99Å; Y857-F956 HydrophobicContact CE2-CZ 3.99Å; Y857-F956 HydrophobicContact CG-CE2 4.19Å
858	A	92	Very high	91.2	Very high	31 Å²	31	66 Å²	66	26%	0.256	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-43.6	176.7	0	0	0	0	0	113	T854 F855 F856 K861 L862 F868	T854-A858 PolarHBondContact O-N 2.83Å; T854-A858 VanDerWaalsContact O-N 3.15Å; F855-A858 PolarHBondContact O-N 3.46Å; F856-A858 VanDerWaalsContact C-N 3.28Å; F856-A858 PolarHBondContact O-N 3.17Å; A858-K861 PolarHBondContact O-N 2.99Å; A858-L862 WeakPolarHBondContact O-CG 3.37Å; A858-L862 PolarHBondContact O-N 2.9Å; A858-L862 VanDerWaalsContact O-N 3.13Å; A858-F868 HydrophobicContact CB-CZ 4.31Å
859	I	90.7	Very high	90.9	Very high	72 Å²	72	66.8 Å²	66.8	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-47.4	176	-72.5	168.1	0	0	0	111.1	F855 F856 K861 L862 R863	F855-I859 HydrophobicContact CD1-CD1 3.68Å; F855-I859 HydrophobicContact CD2-CD1 4.47Å; F855-I859 HydrophobicContact CE1-CD1 3.36Å; F855-I859 HydrophobicContact CE1-CG1 4.41Å; F855-I859 HydrophobicContact CE2-CD1 4.19Å; F855-I859 HydrophobicContact CE2-CG1 4.43Å; F855-I859 HydrophobicContact CG-CD1 4.24Å; F855-I859 HydrophobicContact CZ-CD1 3.65Å; F855-I859 HydrophobicContact CZ-CG1 4.3Å; F855-I859 WeakPolarHBondContact O-CG1 3.28Å; F855-I859 PolarHBondContact O-N 3.04Å; F856-I859 PolarHBondContact O-N 3.06Å; I859-K861 VanDerWaalsContact C-N 3.31Å; I859-K861 PolarHBondContact O-N 3.02Å; I859-L862 WeakPolarHBondContact O-CB 3.44Å; I859-L862 PolarHBondContact O-N 2.82Å; I859-R863 WeakPolarHBondContact O-CB 3.41Å; I859-R863 PolarHBondContact O-N 3.1Å
860	M	88.6	Confident	90.8	Very high	6 Å²	6	72.6 Å²	72.6	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-39.8	-178.6	-72.8	-49.9	-63.9	0	0	111.7	E811 F856 L862 R863 H864 F956	E811-M860 HydrophobicContact CB-CE 4.37Å; E811-M860 HydrophobicContact CB-SD 4.49Å; E811-M860 WeakPolarHBondContact OE2-CE 3.24Å; F856-M860 HydrophobicContact CD1-CG 4.02Å; F856-M860 HydrophobicContact CD2-CG 3.9Å; F856-M860 HydrophobicContact CD2-SD 4.44Å; F856-M860 HydrophobicContact CE1-CG 3.6Å; F856-M860 HydrophobicContact CE2-CG 3.47Å; F856-M860 VanDerWaalsContact CE2-CG 3.47Å; F856-M860 HydrophobicContact CE2-SD 3.66Å; F856-M860 HydrophobicContact CG-CG 4.18Å; F856-M860 HydrophobicContact CZ-CG 3.31Å; F856-M860 HydrophobicContact CZ-SD 3.79Å; F856-M860 WeakPolarHBondContact O-CB 3.5Å; F856-M860 WeakPolarHBondContact O-CG 3.44Å; F856-M860 PolarHBondContact O-N 2.63Å; M860-L862 VanDerWaalsContact C-N 3.35Å; M860-L862 PolarHBondContact O-N 2.83Å; M860-R863 PolarHBondContact O-N 2.83Å; M860-H864 VanDerWaalsContact CE-NE2 3.32Å; M860-H864 WeakPolarHBondContact CE-NE2 3.25Å; M860-H864 PolarHBondContact O-CD2 2.7Å; M860-H864 VanDerWaalsContact O-CD2 3.27Å; M860-H864 PolarHBondContact O-N 2.81Å; M860-F956 HydrophobicContact CB-CB 4.23Å; M860-F956 HydrophobicContact CB-CD1 3.83Å; M860-F956 HydrophobicContact CB-CD2 3.34Å; M860-F956 HydrophobicContact CB-CE1 3.92Å; M860-F956 HydrophobicContact CB-CE2 3.44Å; M860-F956 VanDerWaalsContact CB-CE2 3.44Å; M860-F956 HydrophobicContact CB-CG 3.54Å; M860-F956 HydrophobicContact CB-CZ 3.74Å; M860-F956 HydrophobicContact CE-CB 3.52Å; M860-F956 HydrophobicContact CE-CD1 4.39Å; M860-F956 HydrophobicContact CE-CG 4.02Å; M860-F956 HydrophobicContact CG-CB 4.1Å; M860-F956 HydrophobicContact CG-CD2 3.7Å; M860-F956 HydrophobicContact CG-CE2 4.23Å; M860-F956 HydrophobicContact CG-CG 3.9Å
861	K	91.9	Very high	90.7	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57	-46.4	172.8	-165.5	171.2	-178.2	78.2	0	111.9	Y857 A858 I859 R865 E866 F868 V941 D942 D944	Y857-K861 WeakPolarHBondContact O-CB 3.46Å; Y857-K861 PolarHBondContact O-N 2.8Å; A858-K861 PolarHBondContact O-N 2.99Å; I859-K861 VanDerWaalsContact C-N 3.31Å; I859-K861 PolarHBondContact O-N 3.02Å; K861-R865 PolarHBondContact O-N 2.72Å; K861-E866 HydrophobicContact CD-CB 4.48Å; K861-E866 HydrophobicContact CG-CB 3.56Å; K861-E866 HydrophobicContact CG-CG 4.46Å; K861-E866 WeakPolarHBondContact CG-OE2 3.44Å; K861-E866 IonicContact NZ-OE2 3.92Å; K861-E866 PolarHBondContact NZ-OE2 2.9Å; K861-E866 WeakPolarHBondContact O-CB 3.08Å; K861-E866 PolarHBondContact O-N 2.95Å; K861-F868 HydrophobicContact CB-CZ 4.21Å; K861-F868 HydrophobicContact CD-CD1 4.26Å; K861-F868 HydrophobicContact CD-CE1 3.76Å; K861-F868 HydrophobicContact CD-CE2 4.38Å; K861-F868 HydrophobicContact CD-CZ 3.83Å; K861-F868 HydrophobicContact CG-CZ 4.25Å; K861-V941 HydrophobicContact CD-CG2 4.06Å; K861-V941 WeakPolarHBondContact CE-O 3.23Å; K861-V941 PolarHBondContact NZ-O 3.12Å; K861-D942 IonicContact NZ-OD1 3.64Å; K861-D942 PolarHBondContact NZ-OD1 2.04Å; K861-D944 WeakPolarHBondContact CE-OD1 3.41Å; K861-D944 IonicContact NZ-OD1 3.1Å; K861-D944 PolarHBondContact NZ-OD1 3.3Å; K861-D944 IonicContact NZ-OD2 3.69Å
862	L	90.5	Very high	90.6	Very high	110 Å²	110	69 Å²	69	58%	0.576	31%	0.312	S	S	*	.	H	α-helix	trans	-62.4	-45.9	174.4	-68.5	170.7	0	0	0	112.3	A858 I859 M860 H864 R865 F868	A858-L862 WeakPolarHBondContact O-CG 3.37Å; A858-L862 PolarHBondContact O-N 2.9Å; A858-L862 VanDerWaalsContact O-N 3.13Å; I859-L862 WeakPolarHBondContact O-CB 3.44Å; I859-L862 PolarHBondContact O-N 2.82Å; M860-L862 VanDerWaalsContact C-N 3.35Å; M860-L862 PolarHBondContact O-N 2.83Å; L862-H864 PolarHBondContact O-N 2.92Å; L862-R865 PolarHBondContact O-N 3.21Å; L862-F868 HydrophobicContact CD2-CD2 4.12Å; L862-F868 HydrophobicContact CD2-CE2 3.67Å; L862-F868 HydrophobicContact CG-CE2 3.89Å
863	R	88.8	Confident	90.7	Very high	139 Å²	139	71.1 Å²	71.1	53%	0.525	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-42.8	-178.2	-173.4	179.2	178	121.3	-1.2	112.2	E811 I859 M860 R865	E811-R863 IonicContact OE1-CZ 3.84Å; E811-R863 IonicContact OE1-NE 3.37Å; E811-R863 PolarHBondContact OE1-NE 2.8Å; E811-R863 IonicContact OE1-NH2 2.71Å; E811-R863 PolarHBondContact OE1-NH2 2.81Å; E811-R863 WeakPolarHBondContact OE2-CD 3.35Å; E811-R863 IonicContact OE2-CZ 2.8Å; E811-R863 IonicContact OE2-NE 2.82Å; E811-R863 PolarHBondContact OE2-NE 3.14Å; E811-R863 IonicContact OE2-NH2 3.65Å; I859-R863 WeakPolarHBondContact O-CB 3.41Å; I859-R863 PolarHBondContact O-N 3.1Å; M860-R863 PolarHBondContact O-N 2.83Å; R863-R865 PolarHBondContact O-N 3.33Å
864	H	87.3	Confident	90.9	Very high	46 Å²	46	73.6 Å²	73.6	21%	0.213	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	8.2	175.3	-71.2	-71.3	0	0	0	114.2	M860 L862 E866 F954 F956	M860-H864 VanDerWaalsContact CE-NE2 3.32Å; M860-H864 WeakPolarHBondContact CE-NE2 3.25Å; M860-H864 PolarHBondContact O-CD2 2.7Å; M860-H864 VanDerWaalsContact O-CD2 3.27Å; M860-H864 PolarHBondContact O-N 2.81Å; L862-H864 PolarHBondContact O-N 2.92Å; H864-E866 HydrophobicContact CB-CG 4.39Å; H864-E866 PolarHBondContact O-N 2.82Å; H864-F954 HydrophobicContact CB-CD2 4.32Å; H864-F954 AromaticContact CE1-CG 3.97Å; H864-F954 AromaticContact ND1-CD2 3.52Å; H864-F954 AromaticContact ND1-CG 3.73Å; H864-F956 AromaticContact CD2-CD1 3.58Å; H864-F956 AromaticContact NE2-CD1 3.89Å
865	R	88.4	Confident	91.1	Very high	220 Å²	220	72.5 Å²	72.5	83%	0.83	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	28.3	179.7	-54.2	178	176.6	176.8	-2	113.5	K861 L862 R863	K861-R865 PolarHBondContact O-N 2.72Å; L862-R865 PolarHBondContact O-N 3.21Å; R863-R865 PolarHBondContact O-N 3.33Å
866	E	90.1	Very high	91.2	Very high	7 Å²	7	68.2 Å²	68.2	3%	0.033	31%	0.314	C	S	.	.			trans	-74.4	145.5	165.4	-60.1	-174.4	-178.5	0	0	108.8	R725 K861 H864 L945	R725-E866 IonicContact CZ-OE1 3.53Å; R725-E866 IonicContact CZ-OE2 2.72Å; R725-E866 IonicContact NH1-OE1 2.77Å; R725-E866 PolarHBondContact NH1-OE1 3.19Å; R725-E866 IonicContact NH1-OE2 3.44Å; R725-E866 IonicContact NH2-OE1 3.83Å; R725-E866 PolarHBondContact NH2-OE1 3.33Å; R725-E866 IonicContact NH2-OE2 3.93Å; R725-E866 PolarHBondContact NH2-OE2 2.91Å; K861-E866 HydrophobicContact CD-CB 4.48Å; K861-E866 HydrophobicContact CG-CB 3.56Å; K861-E866 HydrophobicContact CG-CG 4.46Å; K861-E866 WeakPolarHBondContact CG-OE2 3.44Å; K861-E866 IonicContact NZ-OE2 3.92Å; K861-E866 PolarHBondContact NZ-OE2 2.9Å; K861-E866 WeakPolarHBondContact O-CB 3.08Å; K861-E866 PolarHBondContact O-N 2.95Å; H864-E866 HydrophobicContact CB-CG 4.39Å; H864-E866 PolarHBondContact O-N 2.82Å; E866-L945 HydrophobicContact CG-CD2 4.01Å; E866-L945 WeakPolarHBondContact OE2-CD1 3.28Å
867	R	89.7	Confident	91.5	Very high	200 Å²	200	73 Å²	73	76%	0.755	34%	0.34	S	S	*	.			trans	-110.6	124.2	-169.9	-70.1	-173.7	-179.1	-178.5	-0.1	109.7	Q869 D944	R867-Q869 PolarHBondContact O-N 3.19Å; R867-D944 PolarHBondContact N-OD2 3.03Å; R867-D944 WeakPolarHBondContact O-CB 3.24Å
868	F	89.8	Confident	91.7	Very high	35 Å²	35	75.5 Å²	75.5	15%	0.154	35%	0.354	C	S	.	.			trans	-61.7	130.8	167.1	-64.2	-85.7	0	0	0	109.9	A858 K861 L862 L873 I876 V941	A858-F868 HydrophobicContact CB-CZ 4.31Å; K861-F868 HydrophobicContact CB-CZ 4.21Å; K861-F868 HydrophobicContact CD-CD1 4.26Å; K861-F868 HydrophobicContact CD-CE1 3.76Å; K861-F868 HydrophobicContact CD-CE2 4.38Å; K861-F868 HydrophobicContact CD-CZ 3.83Å; K861-F868 HydrophobicContact CG-CZ 4.25Å; L862-F868 HydrophobicContact CD2-CD2 4.12Å; L862-F868 HydrophobicContact CD2-CE2 3.67Å; L862-F868 HydrophobicContact CG-CE2 3.89Å; F868-L873 HydrophobicContact CB-CD1 4.5Å; F868-L873 HydrophobicContact CB-CD2 3.64Å; F868-L873 HydrophobicContact CB-CG 3.75Å; F868-L873 HydrophobicContact CG-CD2 4.17Å; F868-I876 HydrophobicContact CD1-CD1 3.64Å; F868-I876 HydrophobicContact CE1-CD1 3.67Å; F868-I876 HydrophobicContact CG-CD1 4.26Å; F868-I876 HydrophobicContact CZ-CD1 4.33Å; F868-V941 HydrophobicContact CD1-CG2 4.37Å; F868-V941 HydrophobicContact CE1-CG2 3.88Å
869	Q	90	Very high	91.9	Very high	78 Å²	78	74.7 Å²	74.7	36%	0.364	35%	0.346	S	S	.	.			trans	-71.8	158.2	169.3	-60.1	-166.1	-4.5	0	0	109.7	R867 L871 S872 L873 D943 D944	R867-Q869 PolarHBondContact O-N 3.19Å; Q869-L871 PolarHBondContact O-N 2.87Å; Q869-S872 WeakPolarHBondContact O-CA 3.47Å; Q869-S872 WeakPolarHBondContact O-CB 3.28Å; Q869-S872 PolarHBondContact O-N 3.02Å; Q869-L873 PolarHBondContact O-N 3.28Å; Q869-D943 PolarHBondContact NE2-O 3Å; Q869-D944 HydrophobicContact CG-CB 4.03Å
870	M	91.1	Very high	92.2	Very high	155 Å²	155	75.4 Å²	75.4	76%	0.764	36%	0.356	S	S	*	.	H	α-helix	trans	-55.8	-37.4	179.1	-66.2	-61	-179.9	0	0	112.6	L873 V874	M870-L873 PolarHBondContact O-N 2.81Å; M870-L873 HydrophobicContact SD-CD1 4.11Å; M870-V874 WeakPolarHBondContact O-CG2 3.33Å; M870-V874 PolarHBondContact O-N 2.72Å
871	L	91	Very high	92.6	Very high	71 Å²	71	79.3 Å²	79.3	37%	0.372	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.6	-176.7	61.2	0	0	0	112.2	Q869 V874 Y875 Y940	Q869-L871 PolarHBondContact O-N 2.87Å; L871-V874 PolarHBondContact O-N 2.71Å; L871-Y875 HydrophobicContact CD1-CD2 4.12Å; L871-Y875 HydrophobicContact CD1-CE2 3.49Å; L871-Y875 VanDerWaalsContact CD1-CE2 3.49Å; L871-Y875 HydrophobicContact CD2-CE2 4.25Å; L871-Y875 HydrophobicContact CG-CD2 4.05Å; L871-Y875 HydrophobicContact CG-CE2 3.65Å; L871-Y875 VanDerWaalsContact O-CD2 3.27Å; L871-Y875 WeakPolarHBondContact O-CD2 3.34Å; L871-Y875 PolarHBondContact O-N 2.88Å; L871-Y940 HydrophobicContact CD2-CD1 3.57Å; L871-Y940 HydrophobicContact CD2-CE1 3.76Å; L871-Y940 HydrophobicContact CD2-CG 4.01Å; L871-Y940 HydrophobicContact CG-CD1 4.48Å
872	S	93	Very high	92.8	Very high	1 Å²	1	79.8 Å²	79.8	1%	0.007	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-41.9	175.4	-31.8	0	0	0	0	110.9	Q869 Y875 I876 Y940	Q869-S872 WeakPolarHBondContact O-CA 3.47Å; Q869-S872 WeakPolarHBondContact O-CB 3.28Å; Q869-S872 PolarHBondContact O-N 3.02Å; S872-Y875 PolarHBondContact O-N 2.68Å; S872-I876 WeakPolarHBondContact O-CG1 3.46Å; S872-I876 PolarHBondContact O-N 2.8Å; S872-Y940 PolarHBondContact OG-O 3.33Å
873	L	94.2	Very high	93.1	Very high	80 Å²	80	78.4 Å²	78.4	42%	0.419	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-40.9	175.3	-69.7	173.7	0	0	0	112.5	F868 Q869 M870 I876 L877	F868-L873 HydrophobicContact CB-CD1 4.5Å; F868-L873 HydrophobicContact CB-CD2 3.64Å; F868-L873 HydrophobicContact CB-CG 3.75Å; F868-L873 HydrophobicContact CG-CD2 4.17Å; Q869-L873 PolarHBondContact O-N 3.28Å; M870-L873 PolarHBondContact O-N 2.81Å; M870-L873 HydrophobicContact SD-CD1 4.11Å; L873-I876 HydrophobicContact CD2-CD1 4.47Å; L873-I876 PolarHBondContact O-N 2.88Å; L873-L877 PolarHBondContact O-N 2.76Å
874	V	95.1	Very high	93.4	Very high	76 Å²	76	74.1 Å²	74.1	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-44.9	174	168.3	0	0	0	0	110.7	M870 L871 L877 L878	M870-V874 WeakPolarHBondContact O-CG2 3.33Å; M870-V874 PolarHBondContact O-N 2.72Å; L871-V874 PolarHBondContact O-N 2.71Å; V874-L877 PolarHBondContact O-N 2.71Å; V874-L878 HydrophobicContact CG1-CD1 3.78Å; V874-L878 HydrophobicContact CG1-CG 4.34Å; V874-L878 WeakPolarHBondContact O-CB 3.42Å; V874-L878 VanDerWaalsContact O-CG 3.29Å; V874-L878 WeakPolarHBondContact O-CG 3.3Å; V874-L878 PolarHBondContact O-N 2.71Å
875	Y	95.7	Very high	93.8	Very high	27 Å²	27	74.8 Å²	74.8	11%	0.106	38%	0.379	C	S	.	.	H	α-helix	trans	-67.5	-33.9	176	-71.8	-55.1	0	0	0	113.5	L871 S872 L878 T879 F933 M936 Y940	L871-Y875 HydrophobicContact CD1-CD2 4.12Å; L871-Y875 HydrophobicContact CD1-CE2 3.49Å; L871-Y875 VanDerWaalsContact CD1-CE2 3.49Å; L871-Y875 HydrophobicContact CD2-CE2 4.25Å; L871-Y875 HydrophobicContact CG-CD2 4.05Å; L871-Y875 HydrophobicContact CG-CE2 3.65Å; L871-Y875 VanDerWaalsContact O-CD2 3.27Å; L871-Y875 WeakPolarHBondContact O-CD2 3.34Å; L871-Y875 PolarHBondContact O-N 2.88Å; S872-Y875 PolarHBondContact O-N 2.68Å; Y875-L878 HydrophobicContact CD1-CD1 4.26Å; Y875-T879 WeakPolarHBondContact O-CB 3.16Å; Y875-T879 PolarHBondContact O-N 2.9Å; Y875-T879 PolarHBondContact O-OG1 2.83Å; Y875-F933 HydrophobicContact CD1-CD1 4.11Å; Y875-F933 HydrophobicContact CE1-CD1 4.21Å; Y875-M936 HydrophobicContact CD1-CB 3.84Å; Y875-M936 HydrophobicContact CD2-CB 4.16Å; Y875-M936 HydrophobicContact CE1-CB 3.74Å; Y875-M936 HydrophobicContact CE1-CE 4.41Å; Y875-M936 HydrophobicContact CE1-CG 4.27Å; Y875-M936 HydrophobicContact CE2-CB 4.04Å; Y875-M936 HydrophobicContact CE2-CE 4.19Å; Y875-M936 HydrophobicContact CG-CB 4.08Å; Y875-M936 WeakPolarHBondContact OH-CE 3.4Å; Y875-Y940 HydrophobicContact CD2-CD2 4.29Å; Y875-Y940 AromaticContact CE2-CD2 3.85Å; Y875-Y940 HydrophobicContact CE2-CD2 3.85Å; Y875-Y940 HydrophobicContact CE2-CE2 4.34Å; Y875-Y940 HydrophobicContact CE2-CG 4.4Å
876	I	95.4	Very high	94.2	Very high	48 Å²	48	64.3 Å²	64.3	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-51.8	171.2	-69.6	167.8	0	0	0	110	F868 S872 L873 L878 T879 C880 L937	F868-I876 HydrophobicContact CD1-CD1 3.64Å; F868-I876 HydrophobicContact CE1-CD1 3.67Å; F868-I876 HydrophobicContact CG-CD1 4.26Å; F868-I876 HydrophobicContact CZ-CD1 4.33Å; S872-I876 WeakPolarHBondContact O-CG1 3.46Å; S872-I876 PolarHBondContact O-N 2.8Å; L873-I876 HydrophobicContact CD2-CD1 4.47Å; L873-I876 PolarHBondContact O-N 2.88Å; I876-L878 PolarHBondContact O-N 2.88Å; I876-T879 PolarHBondContact O-N 2.8Å; I876-C880 PolarHBondContact O-N 3.33Å; I876-C880 PolarHBondContact O-SG 3.13Å; I876-C880 VanDerWaalsContact O-SG 3.33Å; I876-L937 HydrophobicContact CD1-CD1 4.24Å; I876-L937 HydrophobicContact CG1-CD1 3.49Å; I876-L937 VanDerWaalsContact CG1-CD1 3.49Å; I876-L937 HydrophobicContact CG1-CD2 3.93Å; I876-L937 HydrophobicContact CG1-CG 4.38Å
877	L	96.7	Very high	94.4	Very high	118 Å²	118	67 Å²	67	62%	0.618	36%	0.356	S	S	*	.	H	α-helix	trans	-59.7	-48.9	-179.4	179.5	63.5	0	0	0	111.7	L873 V874 T879 C880 V881	L873-L877 PolarHBondContact O-N 2.76Å; V874-L877 PolarHBondContact O-N 2.71Å; L877-T879 VanDerWaalsContact C-N 3.34Å; L877-T879 PolarHBondContact O-N 2.79Å; L877-C880 PolarHBondContact O-N 2.81Å; L877-V881 HydrophobicContact CD1-CG2 4.18Å; L877-V881 WeakPolarHBondContact O-CG2 3.29Å; L877-V881 PolarHBondContact O-N 2.84Å
878	L	96.4	Very high	94.7	Very high	66 Å²	66	64.9 Å²	64.9	35%	0.346	35%	0.349	S	S	.	.	H	α-helix	trans	-59.1	-45.1	178.1	-72	171.6	0	0	0	111.7	V874 Y875 I876 V881 S882 F933	V874-L878 HydrophobicContact CG1-CD1 3.78Å; V874-L878 HydrophobicContact CG1-CG 4.34Å; V874-L878 WeakPolarHBondContact O-CB 3.42Å; V874-L878 VanDerWaalsContact O-CG 3.29Å; V874-L878 WeakPolarHBondContact O-CG 3.3Å; V874-L878 PolarHBondContact O-N 2.71Å; Y875-L878 HydrophobicContact CD1-CD1 4.26Å; I876-L878 PolarHBondContact O-N 2.88Å; L878-V881 PolarHBondContact O-N 2.86Å; L878-S882 WeakPolarHBondContact O-CB 3.38Å; L878-S882 PolarHBondContact O-N 2.98Å; L878-S882 PolarHBondContact O-OG 2.82Å; L878-S882 VanDerWaalsContact O-OG 3.07Å; L878-F933 HydrophobicContact CB-CB 4.49Å; L878-F933 HydrophobicContact CB-CD1 4.35Å; L878-F933 HydrophobicContact CB-CD2 3.75Å; L878-F933 HydrophobicContact CB-CE2 3.93Å; L878-F933 HydrophobicContact CB-CG 3.97Å; L878-F933 HydrophobicContact CB-CZ 4.32Å; L878-F933 HydrophobicContact CD1-CD1 4.23Å; L878-F933 HydrophobicContact CD1-CE1 3.91Å; L878-F933 HydrophobicContact CD1-CE2 4.49Å; L878-F933 HydrophobicContact CD1-CZ 4.05Å; L878-F933 HydrophobicContact CD2-CE2 4.29Å; L878-F933 HydrophobicContact CD2-CZ 4.32Å; L878-F933 HydrophobicContact CG-CE2 4.47Å; L878-F933 HydrophobicContact CG-CZ 4.48Å
879	T	96.5	Very high	95	Very high	13 Å²	13	65.1 Å²	65.1	8%	0.08	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-46.1	178.3	-60	0	0	0	0	111.6	Y875 I876 L877 S882 W883 F933 S934	Y875-T879 WeakPolarHBondContact O-CB 3.16Å; Y875-T879 PolarHBondContact O-N 2.9Å; Y875-T879 PolarHBondContact O-OG1 2.83Å; I876-T879 PolarHBondContact O-N 2.8Å; L877-T879 VanDerWaalsContact C-N 3.34Å; L877-T879 PolarHBondContact O-N 2.79Å; T879-S882 PolarHBondContact O-OG 2.9Å; T879-W883 WeakPolarHBondContact O-CB 3.47Å; T879-W883 VanDerWaalsContact O-CD1 3.23Å; T879-W883 PolarHBondContact O-N 3.09Å; T879-F933 VanDerWaalsContact OG1-C 3.3Å; T879-F933 WeakPolarHBondContact OG1-CB 3.22Å; T879-F933 PolarHBondContact OG1-O 3.04Å; T879-S934 WeakPolarHBondContact CG2-OG 3.4Å
880	C	96	Very high	95.1	Very high	87 Å²	87	65.5 Å²	65.5	59%	0.588	35%	0.349	S	S	*	.	H	α-helix	trans	-65.9	-42.1	179.4	-69.3	0	0	0	0	112.5	I876 L877 G884	I876-C880 PolarHBondContact O-N 3.33Å; I876-C880 PolarHBondContact O-SG 3.13Å; I876-C880 VanDerWaalsContact O-SG 3.33Å; L877-C880 PolarHBondContact O-N 2.81Å; C880-G884 PolarHBondContact O-N 3.04Å
881	V	97.2	Very high	95.1	Very high	89 Å²	89	65.3 Å²	65.3	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-48.8	177.5	172	0	0	0	0	110.6	L877 L878 G884 C885	L877-V881 HydrophobicContact CD1-CG2 4.18Å; L877-V881 WeakPolarHBondContact O-CG2 3.29Å; L877-V881 PolarHBondContact O-N 2.84Å; L878-V881 PolarHBondContact O-N 2.86Å; V881-G884 PolarHBondContact O-N 2.91Å; V881-C885 PolarHBondContact O-N 3.34Å; V881-C885 VanDerWaalsContact O-N 3.08Å; V881-C885 PolarHBondContact O-SG 2.85Å
882	S	96.3	Very high	95.1	Very high	10 Å²	10	65 Å²	65	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-41.3	-176.2	70.7	0	0	0	0	112.2	L878 T879 C885 A886 S930	L878-S882 WeakPolarHBondContact O-CB 3.38Å; L878-S882 PolarHBondContact O-N 2.98Å; L878-S882 PolarHBondContact O-OG 2.82Å; L878-S882 VanDerWaalsContact O-OG 3.07Å; T879-S882 PolarHBondContact O-OG 2.9Å; S882-C885 PolarHBondContact O-N 2.97Å; S882-A886 WeakPolarHBondContact O-CB 3.44Å; S882-A886 PolarHBondContact O-N 3.02Å; S882-S930 WeakPolarHBondContact CB-OG 3.36Å; S882-S930 PolarHBondContact O-OG 2.87Å; S882-S930 VanDerWaalsContact OG-CA 3.28Å; S882-S930 WeakPolarHBondContact OG-CA 3.33Å; S882-S930 WeakPolarHBondContact OG-CB 3.48Å; S882-S930 PolarHBondContact OG-OG 2.79Å
883	W	96.6	Very high	94.8	Very high	81 Å²	81	72.7 Å²	72.7	31%	0.307	37%	0.37	S	S	.	.	H	α-helix	trans	-66.1	-36.9	174.4	-83.5	120.1	0	0	0	112.7	T879 A886 T887 S930 M931 S934	T879-W883 WeakPolarHBondContact O-CB 3.47Å; T879-W883 VanDerWaalsContact O-CD1 3.23Å; T879-W883 PolarHBondContact O-N 3.09Å; W883-A886 HydrophobicContact CE3-CB 4.3Å; W883-A886 PolarHBondContact O-N 2.84Å; W883-T887 VanDerWaalsContact O-CB 3.3Å; W883-T887 WeakPolarHBondContact O-CB 3.39Å; W883-T887 PolarHBondContact O-N 2.95Å; W883-T887 PolarHBondContact O-OG1 3.06Å; W883-S930 VanDerWaalsContact CE2-CB 3.5Å; W883-S930 PolarHBondContact N-OG 3.39Å; W883-M931 HydrophobicContact CH2-CG 4.27Å; W883-M931 HydrophobicContact CH2-SD 3.76Å; W883-M931 HydrophobicContact CZ2-CG 4.22Å; W883-M931 HydrophobicContact CZ2-SD 3.53Å; W883-M931 VanDerWaalsContact CZ2-SD 3.53Å; W883-S934 PolarHBondContact NE1-OG 2.74Å
884	G	95.6	Very high	94.6	Very high	48 Å²	48	69.1 Å²	69.1	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-47.1	174.2	0	0	0	0	0	111.8	C880 V881 Y888	C880-G884 PolarHBondContact O-N 3.04Å; V881-G884 PolarHBondContact O-N 2.91Å; G884-Y888 PolarHBondContact O-N 3.14Å
885	C	96.1	Very high	94.4	Very high	60 Å²	60	67.3 Å²	67.3	41%	0.405	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-44.7	174.6	-64.1	0	0	0	0	112.6	V881 S882 T887 Y888 F889 L926	V881-C885 PolarHBondContact O-N 3.34Å; V881-C885 VanDerWaalsContact O-N 3.08Å; V881-C885 PolarHBondContact O-SG 2.85Å; S882-C885 PolarHBondContact O-N 2.97Å; C885-T887 VanDerWaalsContact C-N 3.33Å; C885-T887 PolarHBondContact O-N 2.9Å; C885-Y888 WeakPolarHBondContact O-CB 3.45Å; C885-Y888 PolarHBondContact O-N 2.67Å; C885-F889 WeakPolarHBondContact O-CD2 3.34Å; C885-F889 PolarHBondContact O-N 2.73Å; C885-L926 HydrophobicContact CB-CD1 3.98Å; C885-L926 HydrophobicContact CB-CD2 4.25Å
886	A	96.7	Very high	94.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-43.3	178.7	0	0	0	0	0	111.7	S882 W883 Y888 F889 Y890 L926	S882-A886 WeakPolarHBondContact O-CB 3.44Å; S882-A886 PolarHBondContact O-N 3.02Å; W883-A886 HydrophobicContact CE3-CB 4.3Å; W883-A886 PolarHBondContact O-N 2.84Å; A886-Y888 VanDerWaalsContact C-N 3.28Å; A886-Y888 PolarHBondContact O-N 2.98Å; A886-F889 PolarHBondContact O-N 3.37Å; A886-Y890 PolarHBondContact O-N 3.5Å; A886-L926 HydrophobicContact CB-CB 3.75Å
887	T	93.6	Very high	93.9	Very high	63 Å²	63	66 Å²	66	39%	0.387	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-33.7	-178.6	-55.7	0	0	0	0	112.2	W883 C885 Y890 F891	W883-T887 VanDerWaalsContact O-CB 3.3Å; W883-T887 WeakPolarHBondContact O-CB 3.39Å; W883-T887 PolarHBondContact O-N 2.95Å; W883-T887 PolarHBondContact O-OG1 3.06Å; C885-T887 VanDerWaalsContact C-N 3.33Å; C885-T887 PolarHBondContact O-N 2.9Å; T887-Y890 PolarHBondContact O-N 3.41Å; T887-F891 HydrophobicContact CG2-CD2 3.97Å; T887-F891 HydrophobicContact CG2-CE2 3.58Å; T887-F891 VanDerWaalsContact O-CD2 3.23Å; T887-F891 WeakPolarHBondContact O-CD2 3.36Å; T887-F891 PolarHBondContact O-N 2.83Å
888	Y	95.6	Very high	93.4	Very high	156 Å²	156	62.5 Å²	62.5	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-61	-47.7	174.3	172.7	-98.7	0	0	0	112	G884 C885 A886	G884-Y888 PolarHBondContact O-N 3.14Å; C885-Y888 WeakPolarHBondContact O-CB 3.45Å; C885-Y888 PolarHBondContact O-N 2.67Å; A886-Y888 VanDerWaalsContact C-N 3.28Å; A886-Y888 PolarHBondContact O-N 2.98Å
889	F	95.5	Very high	93.1	Very high	40 Å²	40	62 Å²	62	18%	0.175	32%	0.315	C	S	.	.	H	α-helix	trans	-71.2	-33.8	177.8	-76.3	-78.8	0	0	0	112.9	C885 A886 F891 H892 V912 A919 V922 W923 L926	C885-F889 WeakPolarHBondContact O-CD2 3.34Å; C885-F889 PolarHBondContact O-N 2.73Å; A886-F889 PolarHBondContact O-N 3.37Å; F889-F891 VanDerWaalsContact C-N 3.31Å; F889-F891 PolarHBondContact O-N 3.31Å; F889-H892 WeakPolarHBondContact O-CA 3.23Å; F889-H892 WeakPolarHBondContact O-CB 3.47Å; F889-H892 PolarHBondContact O-N 2.86Å; F889-V912 HydrophobicContact CE1-CG1 4.34Å; F889-A919 HydrophobicContact CD1-CB 4.06Å; F889-V922 HydrophobicContact CD1-CB 4.09Å; F889-V922 HydrophobicContact CD1-CG1 3.95Å; F889-V922 HydrophobicContact CD2-CG1 3.72Å; F889-V922 HydrophobicContact CE1-CB 4.2Å; F889-V922 HydrophobicContact CE1-CG1 3.87Å; F889-V922 HydrophobicContact CE2-CG1 3.63Å; F889-V922 HydrophobicContact CG-CB 4.32Å; F889-V922 HydrophobicContact CG-CG1 3.89Å; F889-V922 HydrophobicContact CZ-CG1 3.71Å; F889-W923 HydrophobicContact CB-CB 4Å; F889-L926 HydrophobicContact CD2-CD1 3.56Å; F889-L926 HydrophobicContact CE2-CD1 3.97Å
890	Y	92.1	Very high	92.9	Very high	87 Å²	87	62.5 Å²	62.5	34%	0.341	32%	0.318	S	S	.	.	H	α-helix	trans	-56.4	-40.6	175.4	176.9	-102.4	0	0	0	113.4	T840 A886 T887 H892 W923	T840-Y890 WeakPolarHBondContact CG2-OH 3.19Å; A886-Y890 PolarHBondContact O-N 3.5Å; T887-Y890 PolarHBondContact O-N 3.41Å; Y890-H892 PolarHBondContact O-N 2.91Å; Y890-W923 AromaticContact CD2-CE2 3.86Å; Y890-W923 HydrophobicContact CD2-CZ2 4.09Å; Y890-W923 AromaticContact CD2-NE1 3.74Å; Y890-W923 HydrophobicContact CE2-CZ2 4.49Å
891	F	91.5	Very high	92.7	Very high	151 Å²	151	59.4 Å²	59.4	66%	0.662	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.8	176.6	-72.6	-61.1	0	0	0	113.5	T887 F889 R893	T887-F891 HydrophobicContact CG2-CD2 3.97Å; T887-F891 HydrophobicContact CG2-CE2 3.58Å; T887-F891 VanDerWaalsContact O-CD2 3.23Å; T887-F891 WeakPolarHBondContact O-CD2 3.36Å; T887-F891 PolarHBondContact O-N 2.83Å; F889-F891 VanDerWaalsContact C-N 3.31Å; F889-F891 PolarHBondContact O-N 3.31Å; F891-R893 VanDerWaalsContact C-N 3.32Å; F891-R893 PolarHBondContact O-N 2.94Å; F891-R893 VanDerWaalsContact O-N 3.1Å
892	H	90.8	Very high	92.5	Very high	64 Å²	64	55.1 Å²	55.1	30%	0.296	27%	0.271	S	S	.	.	S	Bend	trans	-86.9	64.9	-179.9	-160	-12.6	0	0	0	111.9	F889 Y890 T894 Q909 A919	F889-H892 WeakPolarHBondContact O-CA 3.23Å; F889-H892 WeakPolarHBondContact O-CB 3.47Å; F889-H892 PolarHBondContact O-N 2.86Å; Y890-H892 PolarHBondContact O-N 2.91Å; H892-T894 PolarHBondContact O-N 2.89Å; H892-Q909 PolarHBondContact CE1-OE1 2.97Å; H892-A919 HydrophobicContact CB-CB 4.19Å
893	R	86.4	Confident	92.3	Very high	162 Å²	162	60.8 Å²	60.8	61%	0.611	29%	0.291	S	S	*	.			trans	-64.6	121.8	-177.3	-66.5	-172.2	-75	-172.2	-0.5	112.6	F891 E898	F891-R893 VanDerWaalsContact C-N 3.32Å; F891-R893 PolarHBondContact O-N 2.94Å; F891-R893 VanDerWaalsContact O-N 3.1Å; R893-E898 IonicContact NH1-OE1 3.59Å
894	T	90.3	Very high	92.2	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.031	28%	0.277	C	S	.	.	S	Bend	trans	-95	-20.7	173.2	52.3	0	0	0	0	113.3	H892 L907 N908 Q909 D918 A919	H892-T894 PolarHBondContact O-N 2.89Å; T894-L907 CarbonylContact O-C 3.53Å; T894-L907 VanDerWaalsContact O-C 3.28Å; T894-L907 WeakPolarHBondContact O-CB 3.5Å; T894-N908 PolarHBondContact O-OD1 2.67Å; T894-Q909 HydrophobicContact CG2-CB 4.47Å; T894-D918 PolarHBondContact OG1-OD2 3.4Å; T894-A919 HydrophobicContact CG2-CB 4.05Å
895	T	91.5	Very high	92.1	Very high	39 Å²	39	55 Å²	55	24%	0.239	25%	0.254	C	S	.	.			trans	-143.6	158.6	-178.9	56.7	0	0	0	0	111.8	Y614 N615	Y614-T895 VanDerWaalsContact C-CG2 3.42Å; N615-T895 HydrophobicContact CB-CG2 4Å; N615-T895 VanDerWaalsContact N-CG2 3.25Å
896	T	90.7	Very high	91.9	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.135	25%	0.249	C	C	.	.			trans	-155.9	133.9	165.3	179.7	0	0	0	0	112.6	Y613 E898 V899 S904 L907	Y613-T896 VanDerWaalsContact CD1-O 3.31Å; Y613-T896 WeakPolarHBondContact CD1-O 3.29Å; Y613-T896 WeakPolarHBondContact CE1-O 3.36Å; T896-E898 VanDerWaalsContact C-N 3.28Å; T896-E898 WeakPolarHBondContact OG1-CB 3.5Å; T896-E898 WeakPolarHBondContact OG1-CG 3.21Å; T896-E898 PolarHBondContact OG1-N 3.21Å; T896-E898 VanDerWaalsContact OG1-N 3.15Å; T896-E898 PolarHBondContact OG1-OE1 3.16Å; T896-V899 HydrophobicContact CG2-CG2 3.87Å; T896-S904 PolarHBondContact N-OG 2.73Å; T896-S904 WeakPolarHBondContact O-CB 3.41Å; T896-S904 PolarHBondContact O-OG 2.81Å; T896-L907 HydrophobicContact CG2-CD1 3.81Å
897	W	89.4	Confident	91.7	Very high	24 Å²	24	57.3 Å²	57.3	9%	0.091	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4	173.1	59.2	-100.5	0	0	0	113.2	Y613 F700 V751 D837 V899	Y613-W897 HydrophobicContact CD1-CB 4.31Å; Y613-W897 HydrophobicContact CD2-CB 4.32Å; Y613-W897 HydrophobicContact CE1-CB 4.41Å; Y613-W897 HydrophobicContact CE2-CB 4.42Å; Y613-W897 HydrophobicContact CG-CB 4.26Å; F700-W897 HydrophobicContact CB-CE3 4Å; V751-W897 HydrophobicContact CG1-CH2 3.85Å; V751-W897 HydrophobicContact CG1-CZ3 3.88Å; V751-W897 HydrophobicContact CG2-CH2 4.14Å; D837-W897 HydrophobicContact CB-CH2 4.04Å; D837-W897 HydrophobicContact CB-CZ2 3.95Å; W897-V899 PolarHBondContact O-N 2.99Å
898	E	87.2	Confident	91.8	Very high	46 Å²	46	54.7 Å²	54.7	22%	0.215	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.1	177.4	-65.4	-179.6	-96.9	0	0	113	R836 D837 R893 T896	R836-E898 HydrophobicContact CB-CG 4.4Å; R836-E898 VanDerWaalsContact CD-O 3.26Å; R836-E898 WeakPolarHBondContact CD-O 3.14Å; R836-E898 PolarHBondContact NH1-O 3.27Å; D837-E898 HydrophobicContact CB-CG 3.93Å; R893-E898 IonicContact NH1-OE1 3.59Å; T896-E898 VanDerWaalsContact C-N 3.28Å; T896-E898 WeakPolarHBondContact OG1-CB 3.5Å; T896-E898 WeakPolarHBondContact OG1-CG 3.21Å; T896-E898 PolarHBondContact OG1-N 3.21Å; T896-E898 VanDerWaalsContact OG1-N 3.15Å; T896-E898 PolarHBondContact OG1-OE1 3.16Å
899	V	89.9	Confident	91.6	Very high	54 Å²	54	50.7 Å²	50.7	33%	0.327	24%	0.238	S	C	.	.	S	Bend	trans	-121.1	176.4	-178.3	-54.3	0	0	0	0	110	Y613 T896 W897 R903	Y613-V899 VanDerWaalsContact CE1-O 3.27Å; Y613-V899 WeakPolarHBondContact CE1-O 3.35Å; Y613-V899 PolarHBondContact OH-O 3.29Å; T896-V899 HydrophobicContact CG2-CG2 3.87Å; W897-V899 PolarHBondContact O-N 2.99Å; V899-R903 HydrophobicContact CB-CB 4.24Å; V899-R903 HydrophobicContact CB-CG 4.34Å; V899-R903 HydrophobicContact CG2-CB 3.92Å; V899-R903 HydrophobicContact CG2-CG 4.12Å
900	T	90.8	Very high	91.4	Very high	25 Å²	25	52.6 Å²	52.6	15%	0.153	25%	0.254	C	S	.	.			trans	-65.9	157.8	176.5	54.3	0	0	0	0	113.1	C242 S243 A902 R903 S904	C242-T900 VanDerWaalsContact O-CB 3.32Å; C242-T900 WeakPolarHBondContact O-CB 3.47Å; C242-T900 WeakPolarHBondContact O-CG2 3.28Å; C242-T900 PolarHBondContact O-OG1 3.28Å; S243-T900 WeakPolarHBondContact O-CG2 3.48Å; T900-A902 VanDerWaalsContact C-N 3.29Å; T900-A902 PolarHBondContact O-N 3.07Å; T900-R903 PolarHBondContact O-N 3.16Å; T900-R903 WeakPolarHBondContact OG1-CB 3.21Å; T900-R903 PolarHBondContact OG1-N 3.21Å; T900-S904 PolarHBondContact O-N 3.04Å
901	P	92.3	Very high	91.4	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-46.4	176.3	-25.7	36.8	0	0	0	111.6	D610 Y613 R903 S904 R905	D610-P901 HydrophobicContact CB-CB 3.92Å; D610-P901 HydrophobicContact CB-CG 3.91Å; D610-P901 WeakPolarHBondContact O-CG 3.26Å; Y613-P901 HydrophobicContact CE1-CB 4.45Å; Y613-P901 HydrophobicContact CE1-CG 4.16Å; Y613-P901 HydrophobicContact CE2-CG 4.15Å; Y613-P901 VanDerWaalsContact OH-CD 3.26Å; Y613-P901 WeakPolarHBondContact OH-CD 3.41Å; P901-R903 PolarHBondContact O-N 3.06Å; P901-R903 VanDerWaalsContact O-N 3.14Å; P901-S904 PolarHBondContact O-N 2.85Å; P901-R905 WeakPolarHBondContact O-CG 3.5Å; P901-R905 PolarHBondContact O-N 3.18Å
902	A	92.6	Very high	91.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-29.9	176.5	0	0	0	0	0	114.4	T211 T213 C242 T900	T211-A902 WeakPolarHBondContact OG1-CB 3.43Å; T213-A902 HydrophobicContact CG2-CB 3.89Å; T213-A902 PolarHBondContact OG1-O 3.46Å; C242-A902 HydrophobicContact CB-CB 3.73Å; T900-A902 VanDerWaalsContact C-N 3.29Å; T900-A902 PolarHBondContact O-N 3.07Å
903	R	92.4	Very high	91.3	Very high	129 Å²	129	46.5 Å²	46.5	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-94.3	-32.3	178.8	-170.7	61.5	178.5	-159.8	2.4	112.5	V899 T900 P901 R905 A906	V899-R903 HydrophobicContact CB-CB 4.24Å; V899-R903 HydrophobicContact CB-CG 4.34Å; V899-R903 HydrophobicContact CG2-CB 3.92Å; V899-R903 HydrophobicContact CG2-CG 4.12Å; T900-R903 PolarHBondContact O-N 3.16Å; T900-R903 WeakPolarHBondContact OG1-CB 3.21Å; T900-R903 PolarHBondContact OG1-N 3.21Å; P901-R903 PolarHBondContact O-N 3.06Å; P901-R903 VanDerWaalsContact O-N 3.14Å; R903-R905 VanDerWaalsContact C-N 3.27Å; R903-R905 PolarHBondContact O-N 2.97Å; R903-A906 WeakPolarHBondContact O-CB 3.5Å; R903-A906 PolarHBondContact O-N 3.4Å
904	S	94.4	Very high	91.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-40.6	170.7	-177.4	0	0	0	0	110.5	T896 T900 P901 A906 L907	T896-S904 PolarHBondContact N-OG 2.73Å; T896-S904 WeakPolarHBondContact O-CB 3.41Å; T896-S904 PolarHBondContact O-OG 2.81Å; T900-S904 PolarHBondContact O-N 3.04Å; P901-S904 PolarHBondContact O-N 2.85Å; S904-A906 PolarHBondContact O-N 3.29Å; S904-A906 VanDerWaalsContact O-N 3.1Å; S904-L907 WeakPolarHBondContact O-CB 3.3Å; S904-L907 PolarHBondContact O-N 2.88Å
905	R	94	Very high	91.2	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.011	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.8	-22.9	177.4	-72	-178.4	-169	102.7	6.2	114.5	Q210 T211 L215 E609 D610 F616 P901 R903 L907 N908	Q210-R905 VanDerWaalsContact OE1-CZ 3.27Å; T211-R905 PolarHBondContact O-NH1 3.12Å; L215-R905 VanDerWaalsContact CD2-O 3.31Å; L215-R905 WeakPolarHBondContact CD2-O 3.37Å; L215-R905 WeakPolarHBondContact O-CB 3.47Å; E609-R905 VanDerWaalsContact C-NH2 3.3Å; E609-R905 PolarHBondContact O-NH2 2.87Å; D610-R905 IonicContact OD1-CZ 3.44Å; D610-R905 IonicContact OD1-NH1 3.02Å; D610-R905 PolarHBondContact OD1-NH1 3.42Å; D610-R905 IonicContact OD1-NH2 2.81Å; D610-R905 PolarHBondContact OD1-NH2 3.1Å; F616-R905 HydrophobicContact CD2-CG 4.08Å; F616-R905 HydrophobicContact CE2-CG 4.42Å; P901-R905 WeakPolarHBondContact O-CG 3.5Å; P901-R905 PolarHBondContact O-N 3.18Å; R903-R905 VanDerWaalsContact C-N 3.27Å; R903-R905 PolarHBondContact O-N 2.97Å; R905-L907 PolarHBondContact O-N 2.88Å; R905-N908 WeakPolarHBondContact O-CB 3.19Å; R905-N908 PolarHBondContact O-N 2.86Å
906	A	92.2	Very high	91.1	Very high	35 Å²	35	48 Å²	48	29%	0.289	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.7	-10.1	173.9	0	0	0	0	0	113.6	T214 R903 S904	T214-A906 WeakPolarHBondContact OG1-CB 3.39Å; R903-A906 WeakPolarHBondContact O-CB 3.5Å; R903-A906 PolarHBondContact O-N 3.4Å; S904-A906 PolarHBondContact O-N 3.29Å; S904-A906 VanDerWaalsContact O-N 3.1Å
907	L	93	Very high	91.3	Very high	74 Å²	74	47 Å²	47	39%	0.387	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-97.8	-7	174	-54.9	177.9	0	0	0	113.1	T894 T896 S904 R905	T894-L907 CarbonylContact O-C 3.53Å; T894-L907 VanDerWaalsContact O-C 3.28Å; T894-L907 WeakPolarHBondContact O-CB 3.5Å; T896-L907 HydrophobicContact CG2-CD1 3.81Å; S904-L907 WeakPolarHBondContact O-CB 3.3Å; S904-L907 PolarHBondContact O-N 2.88Å; R905-L907 PolarHBondContact O-N 2.88Å
908	N	94.7	Very high	91.5	Very high	9 Å²	9	46 Å²	46	5%	0.048	25%	0.248	C	C	.	.			trans	-63	146.3	-177.8	-69.8	6.8	0	0	0	111.3	L215 Y614 N615 F616 E617 T894 R905	L215-N908 HydrophobicContact CD2-CB 4.13Å; Y614-N908 PolarHBondContact O-ND2 3.28Å; Y614-N908 VanDerWaalsContact O-ND2 3.14Å; Y614-N908 PolarHBondContact O-OD1 2.99Å; N615-N908 WeakPolarHBondContact OD1-CA 3.11Å; N615-N908 VanDerWaalsContact OD1-CB 3.29Å; N615-N908 WeakPolarHBondContact OD1-CB 3.06Å; F616-N908 PolarHBondContact N-ND2 2.86Å; E617-N908 HydrophobicContact CB-CB 4.4Å; E617-N908 HydrophobicContact CG-CB 4.15Å; T894-N908 PolarHBondContact O-OD1 2.67Å; R905-N908 WeakPolarHBondContact O-CB 3.19Å; R905-N908 PolarHBondContact O-N 2.86Å
909	Q	92.8	Very high	91.8	Very high	71 Å²	71	43.8 Å²	43.8	33%	0.332	24%	0.238	S	C	.	.			trans	-146	151.3	-172.1	-72.6	-175.4	12.4	0	0	111.3	N615 E617 H892 T894	N615-Q909 PolarHBondContact ND2-O 2.98Å; N615-Q909 PolarHBondContact OD1-N 3.44Å; N615-Q909 PolarHBondContact OD1-O 2.9Å; N615-Q909 VanDerWaalsContact OD1-O 3.05Å; E617-Q909 WeakPolarHBondContact CB-O 3.16Å; H892-Q909 PolarHBondContact CE1-OE1 2.97Å; T894-Q909 HydrophobicContact CG2-CB 4.47Å
910	P	91	Very high	92.1	Very high	80 Å²	80	43.6 Å²	43.6	52%	0.519	23%	0.233	S	C	.	.			trans	-60.5	158.7	176.1	28	-36.7	0	0	0	111.6	E617	E617-P910 WeakPolarHBondContact OE2-CD 3.19Å
911	C	91.3	Very high	92.3	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.155	23%	0.226	C	C	.	.			trans	-56.3	144.7	174.9	-58	0	0	0	0	112.3	C618 H620	C618-C911 WeakPolarHBondContact CA-SG 3.32Å; C618-C911 HydrophobicContact CB-CB 4.11Å; C618-C911 WeakPolarHBondContact CB-SG 3.25Å; C618-C911 WeakPolarHBondContact SG-CA 3.37Å; C618-C911 WeakPolarHBondContact SG-CB 3.32Å; C618-C911 CovalentContact SG-SG 2.03Å; C618-C911 PolarHBondContact SG-SG 2.79Å; H620-C911 PolarHBondContact NE2-SG 3.42Å
912	V	91.5	Very high	92.5	Very high	80 Å²	80	42.1 Å²	42.1	49%	0.485	22%	0.224	S	C	.	.	S	Bend	trans	-100.5	-33.5	-177.1	-179	0	0	0	0	111.7	F889 Y917 A919	F889-V912 HydrophobicContact CE1-CG1 4.34Å; V912-Y917 PolarHBondContact N-O 2.84Å; V912-A919 HydrophobicContact CG2-CB 4.49Å
913	L	89.7	Confident	92.6	Very high	72 Å²	72	43.5 Å²	43.5	38%	0.377	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-124.8	124.6	-174.5	176	67.8	0	0	0	111.2	D915 F916 Y917 V922	L913-D915 PolarHBondContact O-N 3.42Å; L913-D915 VanDerWaalsContact O-N 3.16Å; L913-F916 PolarHBondContact O-N 3.43Å; L913-F916 VanDerWaalsContact O-N 3.13Å; L913-Y917 HydrophobicContact CD2-CD2 4.23Å; L913-Y917 HydrophobicContact CG-CD2 4.39Å; L913-Y917 PolarHBondContact N-O 2.86Å; L913-Y917 VanDerWaalsContact N-O 3.09Å; L913-Y917 PolarHBondContact O-N 2.65Å; L913-V922 HydrophobicContact CB-CG2 3.93Å; L913-V922 HydrophobicContact CD2-CG2 3.99Å
914	L	87.3	Confident	92.9	Very high	97 Å²	97	37.3 Å²	37.3	51%	0.508	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	28.5	177.4	-60.4	173.9	0	0	0	114.6	P290 F916	P290-L914 HydrophobicContact CB-CB 4.17Å; P290-L914 HydrophobicContact CB-CD1 3.97Å; L914-F916 PolarHBondContact O-N 3.14Å
915	D	86.3	Confident	93	Very high	135 Å²	135	38.3 Å²	38.3	72%	0.722	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	27.7	-174.5	-55	-36.5	0	0	0	113.9	H620 L913	H620-D915 VanDerWaalsContact NE2-C 3.27Å; H620-D915 PolarHBondContact NE2-O 3.27Å; L913-D915 PolarHBondContact O-N 3.42Å; L913-D915 VanDerWaalsContact O-N 3.16Å
916	F	89.8	Confident	93.1	Very high	4 Å²	4	40 Å²	40	2%	0.018	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-29.8	-173.7	-174.6	-100	0	0	0	115	Y287 P290 I291 H620 F628 N629 I632 L913 L914	Y287-F916 AromaticContact CD1-CD2 3.39Å; Y287-F916 HydrophobicContact CD1-CD2 3.39Å; Y287-F916 AromaticContact CD1-CE2 3.31Å; Y287-F916 HydrophobicContact CD1-CE2 3.31Å; Y287-F916 HydrophobicContact CD1-CZ 4.5Å; Y287-F916 AromaticContact CE1-CD2 3.81Å; Y287-F916 HydrophobicContact CE1-CD2 3.81Å; Y287-F916 AromaticContact CE1-CE2 3.81Å; Y287-F916 HydrophobicContact CE1-CE2 3.81Å; Y287-F916 HydrophobicContact CG-CD2 4.26Å; Y287-F916 AromaticContact CG-CE2 3.78Å; Y287-F916 HydrophobicContact CG-CE2 3.78Å; P290-F916 HydrophobicContact CB-CB 3.93Å; P290-F916 HydrophobicContact CB-CD1 3.71Å; P290-F916 HydrophobicContact CB-CG 3.97Å; P290-F916 HydrophobicContact CG-CB 3.7Å; P290-F916 HydrophobicContact CG-CD1 3.72Å; P290-F916 HydrophobicContact CG-CD2 4.21Å; P290-F916 HydrophobicContact CG-CE1 4.4Å; P290-F916 HydrophobicContact CG-CG 3.59Å; I291-F916 HydrophobicContact CG1-CE1 4.31Å; I291-F916 HydrophobicContact CG1-CZ 4.4Å; H620-F916 HydrophobicContact CB-CD2 4.05Å; H620-F916 HydrophobicContact CB-CE2 3.63Å; H620-F916 AromaticContact CD2-CD2 3.44Å; H620-F916 VanDerWaalsContact CD2-CD2 3.44Å; H620-F916 WeakPolarHBondContact CD2-CD2 3.42Å; H620-F916 AromaticContact CD2-CE2 3.95Å; H620-F916 AromaticContact CG-CD2 3.77Å; H620-F916 AromaticContact CG-CE2 3.9Å; H620-F916 VanDerWaalsContact NE2-CA 3.3Å; H620-F916 WeakPolarHBondContact NE2-CA 3.29Å; F628-F916 HydrophobicContact CD1-CZ 4.4Å; N629-F916 HydrophobicContact CB-CD1 4.08Å; N629-F916 HydrophobicContact CB-CE1 3.67Å; N629-F916 HydrophobicContact CB-CE2 4.36Å; N629-F916 HydrophobicContact CB-CZ 3.83Å; N629-F916 WeakPolarHBondContact CB-O 3.28Å; I632-F916 HydrophobicContact CG2-CE1 4.17Å; L913-F916 PolarHBondContact O-N 3.43Å; L913-F916 VanDerWaalsContact O-N 3.13Å; L914-F916 PolarHBondContact O-N 3.14Å
917	Y	93.8	Very high	93.3	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.012	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-111.3	135.9	-178.5	-65.4	-62.5	0	0	0	111.2	P290 N629 I632 V912 L913 D921 F925	P290-Y917 HydrophobicContact CB-CD2 4.21Å; P290-Y917 HydrophobicContact CB-CE2 3.55Å; P290-Y917 PolarHBondContact O-OH 3.17Å; N629-Y917 HydrophobicContact CB-CD1 4.28Å; I632-Y917 HydrophobicContact CG2-CE1 3.98Å; V912-Y917 PolarHBondContact N-O 2.84Å; L913-Y917 HydrophobicContact CD2-CD2 4.23Å; L913-Y917 HydrophobicContact CG-CD2 4.39Å; L913-Y917 PolarHBondContact N-O 2.86Å; L913-Y917 VanDerWaalsContact N-O 3.09Å; L913-Y917 PolarHBondContact O-N 2.65Å; Y917-D921 WeakPolarHBondContact CA-OD2 3.32Å; Y917-D921 HydrophobicContact CD1-CB 3.77Å; Y917-D921 HydrophobicContact CG-CB 4.17Å; Y917-F925 AromaticContact CD1-CE2 3.84Å; Y917-F925 HydrophobicContact CD1-CE2 3.84Å; Y917-F925 AromaticContact CD1-CZ 3.98Å; Y917-F925 HydrophobicContact CD1-CZ 3.98Å; Y917-F925 AromaticContact CD2-CE2 3.79Å; Y917-F925 HydrophobicContact CD2-CE2 3.79Å; Y917-F925 HydrophobicContact CD2-CZ 4.3Å; Y917-F925 AromaticContact CE1-CE2 3.88Å; Y917-F925 HydrophobicContact CE1-CE2 3.88Å; Y917-F925 AromaticContact CE1-CZ 3.56Å; Y917-F925 HydrophobicContact CE1-CZ 3.56Å; Y917-F925 AromaticContact CE2-CE2 3.82Å; Y917-F925 HydrophobicContact CE2-CE2 3.82Å; Y917-F925 AromaticContact CE2-CZ 3.9Å; Y917-F925 HydrophobicContact CE2-CZ 3.9Å; Y917-F925 AromaticContact CG-CE2 3.79Å; Y917-F925 HydrophobicContact CG-CE2 3.79Å; Y917-F925 HydrophobicContact CG-CZ 4.34Å; Y917-F925 AromaticContact CZ-CE2 3.88Å; Y917-F925 AromaticContact CZ-CZ 3.52Å
918	D	93.7	Very high	93.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.188	C	C	.	.			trans	-89.5	-175.9	176	93.3	-18	0	0	0	112.9	N615 C618 T894 H920 D921 V922	N615-D918 WeakPolarHBondContact ND2-CB 3.23Å; N615-D918 PolarHBondContact ND2-OD2 3.43Å; C618-D918 HydrophobicContact CB-CB 3.98Å; T894-D918 PolarHBondContact OG1-OD2 3.4Å; D918-H920 VanDerWaalsContact C-N 3.27Å; D918-H920 PolarHBondContact O-N 3.38Å; D918-H920 WeakPolarHBondContact OD1-CA 3.31Å; D918-H920 VanDerWaalsContact OD1-CB 3.31Å; D918-H920 WeakPolarHBondContact OD1-CB 3.43Å; D918-H920 PolarHBondContact OD1-N 2.81Å; D918-D921 PolarHBondContact N-OD2 3.26Å; D918-D921 VanDerWaalsContact N-OD2 3.1Å; D918-D921 PolarHBondContact O-N 2.91Å; D918-D921 PolarHBondContact OD1-N 2.77Å; D918-V922 WeakPolarHBondContact O-CG2 3.24Å; D918-V922 PolarHBondContact O-N 3.39Å; D918-V922 VanDerWaalsContact O-N 3.1Å
919	A	95	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-31.8	179.5	0	0	0	0	0	113.4	F889 H892 T894 V912 W923	F889-A919 HydrophobicContact CD1-CB 4.06Å; H892-A919 HydrophobicContact CB-CB 4.19Å; T894-A919 HydrophobicContact CG2-CB 4.05Å; V912-A919 HydrophobicContact CG2-CB 4.49Å; A919-W923 PolarHBondContact O-N 3.01Å
920	H	95.1	Very high	93.9	Very high	50 Å²	50	32.5 Å²	32.5	23%	0.231	18%	0.176	C	C	.	.	H	α-helix	trans	-76.8	-37.4	179.3	-171	79.8	0	0	0	111.4	H695 D918 V922 W923 H924	H695-H920 AromaticContact CE1-CD2 3.63Å; H695-H920 AromaticContact CE1-NE2 3.19Å; H695-H920 PolarHBondContact CE1-NE2 2.81Å; H695-H920 AromaticContact NE2-CD2 3.75Å; H695-H920 AromaticContact NE2-NE2 3.04Å; H695-H920 PolarHBondContact NE2-NE2 2.84Å; D918-H920 VanDerWaalsContact C-N 3.27Å; D918-H920 PolarHBondContact O-N 3.38Å; D918-H920 WeakPolarHBondContact OD1-CA 3.31Å; D918-H920 VanDerWaalsContact OD1-CB 3.31Å; D918-H920 WeakPolarHBondContact OD1-CB 3.43Å; D918-H920 PolarHBondContact OD1-N 2.81Å; H920-V922 PolarHBondContact O-N 3.12Å; H920-W923 AromaticContact CE1-CE3 3.51Å; H920-W923 AromaticContact CE1-CZ3 3.53Å; H920-W923 AromaticContact ND1-CE3 3.84Å; H920-W923 AromaticContact NE2-CE3 3.98Å; H920-W923 AromaticContact NE2-CZ3 3.94Å; H920-W923 WeakPolarHBondContact O-CB 3.46Å; H920-W923 PolarHBondContact O-N 3.39Å; H920-H924 AromaticContact CD2-CD2 3.66Å; H920-H924 AromaticContact NE2-CD2 3.79Å; H920-H924 AromaticContact NE2-NE2 3.71Å; H920-H924 PolarHBondContact O-CD2 3.3Å; H920-H924 PolarHBondContact O-N 3.15Å
921	D	95.7	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-44.8	169.1	-72.1	-37.4	0	0	0	112.4	N629 N630 S633 Y917 D918 W923 H924 F925	N629-D921 PolarHBondContact ND2-OD2 2.83Å; N630-D921 WeakPolarHBondContact CA-OD1 3.47Å; N630-D921 PolarHBondContact N-OD1 2.71Å; S633-D921 WeakPolarHBondContact CB-OD1 3.25Å; S633-D921 PolarHBondContact OG-OD1 2.87Å; Y917-D921 WeakPolarHBondContact CA-OD2 3.32Å; Y917-D921 HydrophobicContact CD1-CB 3.77Å; Y917-D921 HydrophobicContact CG-CB 4.17Å; D918-D921 PolarHBondContact N-OD2 3.26Å; D918-D921 VanDerWaalsContact N-OD2 3.1Å; D918-D921 PolarHBondContact O-N 2.91Å; D918-D921 PolarHBondContact OD1-N 2.77Å; D921-W923 VanDerWaalsContact C-N 3.3Å; D921-W923 PolarHBondContact O-N 2.92Å; D921-H924 PolarHBondContact O-N 3.24Å; D921-F925 WeakPolarHBondContact O-CD2 3.4Å; D921-F925 WeakPolarHBondContact O-CG 3.41Å; D921-F925 PolarHBondContact O-N 2.86Å; D921-F925 VanDerWaalsContact O-N 3.07Å
922	V	95.5	Very high	94.5	Very high	15 Å²	15	28.7 Å²	28.7	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-34	176.4	176	0	0	0	0	111.2	F889 L913 D918 H920 F925 L926	F889-V922 HydrophobicContact CD1-CB 4.09Å; F889-V922 HydrophobicContact CD1-CG1 3.95Å; F889-V922 HydrophobicContact CD2-CG1 3.72Å; F889-V922 HydrophobicContact CE1-CB 4.2Å; F889-V922 HydrophobicContact CE1-CG1 3.87Å; F889-V922 HydrophobicContact CE2-CG1 3.63Å; F889-V922 HydrophobicContact CG-CB 4.32Å; F889-V922 HydrophobicContact CG-CG1 3.89Å; F889-V922 HydrophobicContact CZ-CG1 3.71Å; L913-V922 HydrophobicContact CB-CG2 3.93Å; L913-V922 HydrophobicContact CD2-CG2 3.99Å; D918-V922 WeakPolarHBondContact O-CG2 3.24Å; D918-V922 PolarHBondContact O-N 3.39Å; D918-V922 VanDerWaalsContact O-N 3.1Å; H920-V922 PolarHBondContact O-N 3.12Å; V922-F925 PolarHBondContact O-N 3.26Å; V922-L926 HydrophobicContact CG1-CD1 3.82Å; V922-L926 HydrophobicContact CG1-CG 4.39Å; V922-L926 VanDerWaalsContact O-CG 3.32Å; V922-L926 WeakPolarHBondContact O-CG 3.36Å; V922-L926 PolarHBondContact O-N 3.25Å
923	W	96.4	Very high	94.8	Very high	29 Å²	29	26.1 Å²	26.1	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-50.9	169.8	170.4	72	0	0	0	111.7	M710 F889 Y890 A919 H920 D921 F925 L926 S927	M710-W923 HydrophobicContact CE-CH2 3.93Å; F889-W923 HydrophobicContact CB-CB 4Å; Y890-W923 AromaticContact CD2-CE2 3.86Å; Y890-W923 HydrophobicContact CD2-CZ2 4.09Å; Y890-W923 AromaticContact CD2-NE1 3.74Å; Y890-W923 HydrophobicContact CE2-CZ2 4.49Å; A919-W923 PolarHBondContact O-N 3.01Å; H920-W923 AromaticContact CE1-CE3 3.51Å; H920-W923 AromaticContact CE1-CZ3 3.53Å; H920-W923 AromaticContact ND1-CE3 3.84Å; H920-W923 AromaticContact NE2-CE3 3.98Å; H920-W923 AromaticContact NE2-CZ3 3.94Å; H920-W923 WeakPolarHBondContact O-CB 3.46Å; H920-W923 PolarHBondContact O-N 3.39Å; D921-W923 VanDerWaalsContact C-N 3.3Å; D921-W923 PolarHBondContact O-N 2.92Å; W923-F925 VanDerWaalsContact C-N 3.26Å; W923-F925 PolarHBondContact O-N 3.35Å; W923-L926 PolarHBondContact O-N 2.89Å; W923-L926 VanDerWaalsContact O-N 3.11Å; W923-S927 VanDerWaalsContact O-CB 3.29Å; W923-S927 WeakPolarHBondContact O-CB 3.45Å; W923-S927 PolarHBondContact O-N 3.3Å; W923-S927 PolarHBondContact O-OG 3.02Å
924	H	96.9	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-54.8	-40	176.3	-73.1	-55.5	0	0	0	112.8	S633 N634 Y637 S691 H695 H920 D921 S927 S928	S633-H924 PolarHBondContact OG-CD2 3.23Å; N634-H924 PolarHBondContact ND2-CD2 3.14Å; N634-H924 PolarHBondContact OD1-CE1 3.31Å; N634-H924 PolarHBondContact OD1-ND1 3.45Å; N634-H924 PolarHBondContact OD1-NE2 2.9Å; Y637-H924 HydrophobicContact CE2-CB 3.97Å; Y637-H924 AromaticContact CE2-CE1 2.79Å; Y637-H924 WeakPolarHBondContact CE2-CE1 3.36Å; Y637-H924 AromaticContact CE2-ND1 3.51Å; Y637-H924 AromaticContact CZ-CE1 2.91Å; Y637-H924 AromaticContact CZ-ND1 3.85Å; Y637-H924 PolarHBondContact OH-CE1 3.49Å; Y637-H924 PolarHBondContact OH-ND1 2.97Å; S691-H924 PolarHBondContact OG-NE2 3.33Å; H695-H924 AromaticContact CD2-NE2 3.69Å; H695-H924 AromaticContact NE2-NE2 3.36Å; H695-H924 PolarHBondContact NE2-NE2 3.49Å; H920-H924 AromaticContact CD2-CD2 3.66Å; H920-H924 AromaticContact NE2-CD2 3.79Å; H920-H924 AromaticContact NE2-NE2 3.71Å; H920-H924 PolarHBondContact O-CD2 3.3Å; H920-H924 PolarHBondContact O-N 3.15Å; D921-H924 PolarHBondContact O-N 3.24Å; H924-S927 WeakPolarHBondContact CA-OG 3.35Å; H924-S927 PolarHBondContact O-OG 2.93Å; H924-S928 VanDerWaalsContact O-CB 3.3Å; H924-S928 WeakPolarHBondContact O-CB 3.29Å; H924-S928 PolarHBondContact O-N 3.04Å; H924-S928 VanDerWaalsContact O-N 3.14Å; H924-S928 PolarHBondContact O-OG 3.48Å
925	F	96.3	Very high	95.6	Very high	23 Å²	23	19 Å²	19	10%	0.101	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-43.6	176.7	-66.7	-38.1	0	0	0	112.9	A294 Y298 S633 Y917 D921 V922 W923 S928 I929	A294-F925 HydrophobicContact CB-CE1 3.9Å; A294-F925 HydrophobicContact CB-CZ 3.74Å; Y298-F925 HydrophobicContact CE2-CD1 4.01Å; Y298-F925 HydrophobicContact CE2-CE1 4.25Å; Y298-F925 VanDerWaalsContact OH-CA 3.31Å; Y298-F925 WeakPolarHBondContact OH-CA 3.48Å; Y298-F925 VanDerWaalsContact OH-CD1 3.29Å; Y298-F925 WeakPolarHBondContact OH-CD1 3.34Å; Y298-F925 PolarHBondContact OH-O 3.38Å; S633-F925 VanDerWaalsContact CA-CE1 3.48Å; S633-F925 WeakPolarHBondContact O-CD1 3.34Å; S633-F925 WeakPolarHBondContact O-CE1 3.16Å; Y917-F925 AromaticContact CD1-CE2 3.84Å; Y917-F925 HydrophobicContact CD1-CE2 3.84Å; Y917-F925 AromaticContact CD1-CZ 3.98Å; Y917-F925 HydrophobicContact CD1-CZ 3.98Å; Y917-F925 AromaticContact CD2-CE2 3.79Å; Y917-F925 HydrophobicContact CD2-CE2 3.79Å; Y917-F925 HydrophobicContact CD2-CZ 4.3Å; Y917-F925 AromaticContact CE1-CE2 3.88Å; Y917-F925 HydrophobicContact CE1-CE2 3.88Å; Y917-F925 AromaticContact CE1-CZ 3.56Å; Y917-F925 HydrophobicContact CE1-CZ 3.56Å; Y917-F925 AromaticContact CE2-CE2 3.82Å; Y917-F925 HydrophobicContact CE2-CE2 3.82Å; Y917-F925 AromaticContact CE2-CZ 3.9Å; Y917-F925 HydrophobicContact CE2-CZ 3.9Å; Y917-F925 AromaticContact CG-CE2 3.79Å; Y917-F925 HydrophobicContact CG-CE2 3.79Å; Y917-F925 HydrophobicContact CG-CZ 4.34Å; Y917-F925 AromaticContact CZ-CE2 3.88Å; Y917-F925 AromaticContact CZ-CZ 3.52Å; D921-F925 WeakPolarHBondContact O-CD2 3.4Å; D921-F925 WeakPolarHBondContact O-CG 3.41Å; D921-F925 PolarHBondContact O-N 2.86Å; D921-F925 VanDerWaalsContact O-N 3.07Å; V922-F925 PolarHBondContact O-N 3.26Å; W923-F925 VanDerWaalsContact C-N 3.26Å; W923-F925 PolarHBondContact O-N 3.35Å; F925-S928 PolarHBondContact O-OG 2.91Å; F925-I929 WeakPolarHBondContact O-CD1 3.12Å; F925-I929 VanDerWaalsContact O-CG1 3.32Å; F925-I929 WeakPolarHBondContact O-CG1 3.27Å; F925-I929 PolarHBondContact O-N 3.26Å
926	L	96.8	Very high	96.1	Very high	39 Å²	39	12.8 Å²	12.8	20%	0.204	6%	0.063	C	C	.	.	H	α-helix	trans	-77.1	-37.2	-177.7	-67.8	169.2	0	0	0	112.6	C885 A886 F889 V922 W923 S930	C885-L926 HydrophobicContact CB-CD1 3.98Å; C885-L926 HydrophobicContact CB-CD2 4.25Å; A886-L926 HydrophobicContact CB-CB 3.75Å; F889-L926 HydrophobicContact CD2-CD1 3.56Å; F889-L926 HydrophobicContact CE2-CD1 3.97Å; V922-L926 HydrophobicContact CG1-CD1 3.82Å; V922-L926 HydrophobicContact CG1-CG 4.39Å; V922-L926 VanDerWaalsContact O-CG 3.32Å; V922-L926 WeakPolarHBondContact O-CG 3.36Å; V922-L926 PolarHBondContact O-N 3.25Å; W923-L926 PolarHBondContact O-N 2.89Å; W923-L926 VanDerWaalsContact O-N 3.11Å; L926-S930 WeakPolarHBondContact O-CB 3.48Å; L926-S930 PolarHBondContact O-N 3.37Å; L926-S930 PolarHBondContact O-OG 2.86Å
927	S	96.8	Very high	96.4	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.028	7%	0.068	C	C	.	.	H	α-helix	trans	-69.6	-42	178.9	64.7	0	0	0	0	111.6	Y637 W923 H924 I929 S930 M931	Y637-S927 PolarHBondContact OH-OG 3.43Å; W923-S927 VanDerWaalsContact O-CB 3.29Å; W923-S927 WeakPolarHBondContact O-CB 3.45Å; W923-S927 PolarHBondContact O-N 3.3Å; W923-S927 PolarHBondContact O-OG 3.02Å; H924-S927 WeakPolarHBondContact CA-OG 3.35Å; H924-S927 PolarHBondContact O-OG 2.93Å; S927-I929 PolarHBondContact O-N 2.86Å; S927-S930 CarbonylContact O-C 3.49Å; S927-S930 WeakPolarHBondContact O-CB 3.48Å; S927-S930 PolarHBondContact O-N 3.45Å; S927-S930 VanDerWaalsContact O-N 3.1Å; S927-M931 WeakPolarHBondContact O-CG 3.38Å; S927-M931 PolarHBondContact O-N 3.39Å
928	S	97.9	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-42.9	175.3	56.1	0	0	0	0	112.3	Y298 H924 F925 F932	Y298-S928 PolarHBondContact OH-OG 2.96Å; Y298-S928 VanDerWaalsContact OH-OG 3.07Å; H924-S928 VanDerWaalsContact O-CB 3.3Å; H924-S928 WeakPolarHBondContact O-CB 3.29Å; H924-S928 PolarHBondContact O-N 3.04Å; H924-S928 VanDerWaalsContact O-N 3.14Å; H924-S928 PolarHBondContact O-OG 3.48Å; F925-S928 PolarHBondContact O-OG 2.91Å; S928-F932 PolarHBondContact O-N 3.11Å; S928-F932 VanDerWaalsContact O-N 3.09Å
929	I	97.7	Very high	96.5	Very high	27 Å²	27	14.7 Å²	14.7	14%	0.138	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-42.7	172.2	-69	171.2	0	0	0	111.1	Y298 F301 L640 F925 S927 F932 F933	Y298-I929 HydrophobicContact CE1-CD1 4.36Å; Y298-I929 HydrophobicContact CE1-CG1 3.99Å; F301-I929 HydrophobicContact CE1-CG2 4.47Å; F301-I929 HydrophobicContact CE2-CD1 4.32Å; F301-I929 HydrophobicContact CE2-CG1 4.36Å; F301-I929 HydrophobicContact CZ-CD1 4.19Å; F301-I929 HydrophobicContact CZ-CG1 3.97Å; F301-I929 HydrophobicContact CZ-CG2 3.98Å; L640-I929 HydrophobicContact CD1-CG1 3.98Å; F925-I929 WeakPolarHBondContact O-CD1 3.12Å; F925-I929 VanDerWaalsContact O-CG1 3.32Å; F925-I929 WeakPolarHBondContact O-CG1 3.27Å; F925-I929 PolarHBondContact O-N 3.26Å; S927-I929 PolarHBondContact O-N 2.86Å; I929-F932 PolarHBondContact O-N 3.26Å; I929-F933 HydrophobicContact CG2-CD2 3.68Å; I929-F933 HydrophobicContact CG2-CE2 3.27Å; I929-F933 HydrophobicContact CG2-CZ 3.97Å; I929-F933 WeakPolarHBondContact O-CD2 3.41Å; I929-F933 PolarHBondContact O-N 3.15Å
930	S	97.6	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-41.6	179.5	-57.7	0	0	0	0	113	S882 W883 L926 S927 F933 S934	S882-S930 WeakPolarHBondContact CB-OG 3.36Å; S882-S930 PolarHBondContact O-OG 2.87Å; S882-S930 VanDerWaalsContact OG-CA 3.28Å; S882-S930 WeakPolarHBondContact OG-CA 3.33Å; S882-S930 WeakPolarHBondContact OG-CB 3.48Å; S882-S930 PolarHBondContact OG-OG 2.79Å; W883-S930 VanDerWaalsContact CE2-CB 3.5Å; W883-S930 PolarHBondContact N-OG 3.39Å; L926-S930 WeakPolarHBondContact O-CB 3.48Å; L926-S930 PolarHBondContact O-N 3.37Å; L926-S930 PolarHBondContact O-OG 2.86Å; S927-S930 CarbonylContact O-C 3.49Å; S927-S930 WeakPolarHBondContact O-CB 3.48Å; S927-S930 PolarHBondContact O-N 3.45Å; S927-S930 VanDerWaalsContact O-N 3.1Å; S930-F933 PolarHBondContact O-N 2.97Å; S930-S934 WeakPolarHBondContact O-CB 3.48Å; S930-S934 PolarHBondContact O-N 2.94Å; S930-S934 PolarHBondContact O-OG 3.06Å
931	M	96.9	Very high	96.3	Very high	18 Å²	18	14.6 Å²	14.6	9%	0.089	7%	0.073	C	C	.	.	H	α-helix	trans	-61.4	-44.9	173.2	-74.2	-56.7	-44.1	0	0	111	L684 L713 W883 S927 S934 F935	L684-M931 HydrophobicContact CD1-CB 3.72Å; L684-M931 HydrophobicContact CD1-CG 4.08Å; L684-M931 HydrophobicContact CD2-CB 4.35Å; L713-M931 HydrophobicContact CD1-CE 4.49Å; L713-M931 HydrophobicContact CD2-CE 3.6Å; L713-M931 HydrophobicContact CD2-CG 4.4Å; L713-M931 HydrophobicContact CD2-SD 4.01Å; L713-M931 HydrophobicContact CG-CE 3.9Å; W883-M931 HydrophobicContact CH2-CG 4.27Å; W883-M931 HydrophobicContact CH2-SD 3.76Å; W883-M931 HydrophobicContact CZ2-CG 4.22Å; W883-M931 HydrophobicContact CZ2-SD 3.53Å; W883-M931 VanDerWaalsContact CZ2-SD 3.53Å; S927-M931 WeakPolarHBondContact O-CG 3.38Å; S927-M931 PolarHBondContact O-N 3.39Å; M931-S934 WeakPolarHBondContact O-CB 3.43Å; M931-S934 PolarHBondContact O-N 2.81Å; M931-F935 HydrophobicContact CE-CD1 3.97Å; M931-F935 HydrophobicContact CE-CE1 3.21Å; M931-F935 HydrophobicContact CE-CZ 3.69Å; M931-F935 WeakPolarHBondContact O-CB 3.38Å; M931-F935 WeakPolarHBondContact O-CD1 3.47Å; M931-F935 VanDerWaalsContact O-CG 3.31Å; M931-F935 WeakPolarHBondContact O-CG 3.21Å; M931-F935 PolarHBondContact O-N 2.7Å
932	F	98	Very high	96.2	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.022	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-46.9	176.4	179.7	-98.4	0	0	0	112.4	F301 L640 L643 F644 L647 S928 I929 S934 F935 M936	F301-F932 HydrophobicContact CD1-CD1 4.11Å; F301-F932 AromaticContact CD1-CE1 3.95Å; F301-F932 HydrophobicContact CD1-CE1 3.95Å; F301-F932 HydrophobicContact CE1-CD1 4.15Å; F301-F932 HydrophobicContact CE1-CE1 4.36Å; L640-F932 HydrophobicContact CB-CB 4.03Å; L640-F932 HydrophobicContact CB-CD2 3.92Å; L640-F932 HydrophobicContact CB-CG 4.15Å; L640-F932 HydrophobicContact CD1-CB 3.93Å; L640-F932 HydrophobicContact CD1-CG 4.38Å; L640-F932 HydrophobicContact CD2-CD1 4.39Å; L640-F932 HydrophobicContact CD2-CD2 4.2Å; L640-F932 HydrophobicContact CD2-CG 4.12Å; L640-F932 HydrophobicContact CG-CB 4.4Å; L640-F932 HydrophobicContact CG-CG 4.46Å; L643-F932 HydrophobicContact CB-CE2 4.28Å; L643-F932 HydrophobicContact CD2-CE2 3.92Å; L643-F932 HydrophobicContact CD2-CZ 3.77Å; L643-F932 HydrophobicContact CG-CE2 3.99Å; L643-F932 HydrophobicContact CG-CZ 4.15Å; F644-F932 HydrophobicContact CB-CD2 4.25Å; F644-F932 HydrophobicContact CB-CE2 4.19Å; L647-F932 HydrophobicContact CD1-CE2 4.18Å; L647-F932 HydrophobicContact CD1-CZ 3.93Å; S928-F932 PolarHBondContact O-N 3.11Å; S928-F932 VanDerWaalsContact O-N 3.09Å; I929-F932 PolarHBondContact O-N 3.26Å; F932-S934 VanDerWaalsContact C-N 3.33Å; F932-S934 PolarHBondContact O-N 2.78Å; F932-F935 PolarHBondContact O-N 2.77Å; F932-M936 HydrophobicContact CD1-CG 4.32Å; F932-M936 HydrophobicContact CE1-CG 3.96Å; F932-M936 HydrophobicContact CE2-CG 4.38Å; F932-M936 HydrophobicContact CZ-CG 3.99Å; F932-M936 HydrophobicContact CZ-SD 4.3Å; F932-M936 VanDerWaalsContact O-CG 3.28Å; F932-M936 WeakPolarHBondContact O-CG 3.32Å; F932-M936 PolarHBondContact O-N 2.91Å
933	F	97.5	Very high	96	Very high	26 Å²	26	16 Å²	16	11%	0.114	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-35.6	175.6	-66.4	-37.8	0	0	0	112.8	F301 Y875 L878 T879 I929 S930 M936 L937	F301-F933 AromaticContact CE1-CE1 3.76Å; F301-F933 HydrophobicContact CE1-CE1 3.76Å; F301-F933 AromaticContact CE1-CZ 3.65Å; F301-F933 HydrophobicContact CE1-CZ 3.65Å; F301-F933 AromaticContact CZ-CZ 4Å; F301-F933 HydrophobicContact CZ-CZ 4Å; Y875-F933 HydrophobicContact CD1-CD1 4.11Å; Y875-F933 HydrophobicContact CE1-CD1 4.21Å; L878-F933 HydrophobicContact CB-CB 4.49Å; L878-F933 HydrophobicContact CB-CD1 4.35Å; L878-F933 HydrophobicContact CB-CD2 3.75Å; L878-F933 HydrophobicContact CB-CE2 3.93Å; L878-F933 HydrophobicContact CB-CG 3.97Å; L878-F933 HydrophobicContact CB-CZ 4.32Å; L878-F933 HydrophobicContact CD1-CD1 4.23Å; L878-F933 HydrophobicContact CD1-CE1 3.91Å; L878-F933 HydrophobicContact CD1-CE2 4.49Å; L878-F933 HydrophobicContact CD1-CZ 4.05Å; L878-F933 HydrophobicContact CD2-CE2 4.29Å; L878-F933 HydrophobicContact CD2-CZ 4.32Å; L878-F933 HydrophobicContact CG-CE2 4.47Å; L878-F933 HydrophobicContact CG-CZ 4.48Å; T879-F933 VanDerWaalsContact OG1-C 3.3Å; T879-F933 WeakPolarHBondContact OG1-CB 3.22Å; T879-F933 PolarHBondContact OG1-O 3.04Å; I929-F933 HydrophobicContact CG2-CD2 3.68Å; I929-F933 HydrophobicContact CG2-CE2 3.27Å; I929-F933 HydrophobicContact CG2-CZ 3.97Å; I929-F933 WeakPolarHBondContact O-CD2 3.41Å; I929-F933 PolarHBondContact O-N 3.15Å; S930-F933 PolarHBondContact O-N 2.97Å; F933-M936 PolarHBondContact O-N 2.9Å; F933-L937 WeakPolarHBondContact O-CB 3.23Å; F933-L937 PolarHBondContact O-N 3.47Å
934	S	96.9	Very high	95.7	Very high	19 Å²	19	16 Å²	16	13%	0.133	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-41.4	174	-56	0	0	0	0	111.8	T879 W883 S930 M931 F932 L937 I938	T879-S934 WeakPolarHBondContact CG2-OG 3.4Å; W883-S934 PolarHBondContact NE1-OG 2.74Å; S930-S934 WeakPolarHBondContact O-CB 3.48Å; S930-S934 PolarHBondContact O-N 2.94Å; S930-S934 PolarHBondContact O-OG 3.06Å; M931-S934 WeakPolarHBondContact O-CB 3.43Å; M931-S934 PolarHBondContact O-N 2.81Å; F932-S934 VanDerWaalsContact C-N 3.33Å; F932-S934 PolarHBondContact O-N 2.78Å; S934-L937 WeakPolarHBondContact O-CB 3.45Å; S934-L937 PolarHBondContact O-N 2.92Å; S934-I938 WeakPolarHBondContact O-CG1 3.18Å; S934-I938 PolarHBondContact O-N 3.43Å
935	F	97.7	Very high	95.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.3	-41	176.5	-74.5	6.7	0	0	0	112.1	F644 M680 L684 L713 V717 M931 F932 I938 M939	F644-F935 AromaticContact CD1-CD2 3.77Å; F644-F935 HydrophobicContact CD1-CD2 3.77Å; F644-F935 HydrophobicContact CD1-CE2 4.45Å; F644-F935 HydrophobicContact CD2-CB 3.89Å; F644-F935 HydrophobicContact CD2-CD2 4.36Å; F644-F935 HydrophobicContact CE1-CB 4.25Å; F644-F935 AromaticContact CE1-CD2 3.87Å; F644-F935 HydrophobicContact CE1-CD2 3.87Å; F644-F935 HydrophobicContact CE1-CG 4.38Å; F644-F935 HydrophobicContact CE2-CB 3.55Å; F644-F935 HydrophobicContact CE2-CD2 4.47Å; F644-F935 HydrophobicContact CE2-CG 4.48Å; F644-F935 HydrophobicContact CG-CB 4.39Å; F644-F935 HydrophobicContact CG-CD2 4.02Å; F644-F935 HydrophobicContact CZ-CB 3.74Å; F644-F935 HydrophobicContact CZ-CD2 4.23Å; F644-F935 HydrophobicContact CZ-CG 4.32Å; M680-F935 HydrophobicContact CB-CD2 4.41Å; M680-F935 HydrophobicContact CB-CE1 4.46Å; M680-F935 HydrophobicContact CB-CE2 3.85Å; M680-F935 HydrophobicContact CB-CZ 3.87Å; M680-F935 HydrophobicContact CE-CB 4.42Å; M680-F935 HydrophobicContact CE-CD1 3.38Å; M680-F935 HydrophobicContact CE-CD2 4.31Å; M680-F935 HydrophobicContact CE-CE1 3.52Å; M680-F935 HydrophobicContact CE-CE2 4.42Å; M680-F935 HydrophobicContact CE-CG 3.8Å; M680-F935 HydrophobicContact CE-CZ 4.05Å; M680-F935 HydrophobicContact CG-CZ 4.48Å; M680-F935 WeakPolarHBondContact O-CE2 3.29Å; L684-F935 HydrophobicContact CB-CE2 3.85Å; L684-F935 HydrophobicContact CB-CZ 4.38Å; L684-F935 HydrophobicContact CD2-CD2 4.11Å; L684-F935 HydrophobicContact CD2-CE2 3.81Å; L684-F935 HydrophobicContact CG-CE2 4.34Å; L713-F935 HydrophobicContact CD1-CZ 3.76Å; L713-F935 HydrophobicContact CG-CZ 4.37Å; V717-F935 HydrophobicContact CG2-CD1 4.41Å; V717-F935 HydrophobicContact CG2-CE1 3.62Å; V717-F935 HydrophobicContact CG2-CZ 4.45Å; M931-F935 HydrophobicContact CE-CD1 3.97Å; M931-F935 HydrophobicContact CE-CE1 3.21Å; M931-F935 HydrophobicContact CE-CZ 3.69Å; M931-F935 WeakPolarHBondContact O-CB 3.38Å; M931-F935 WeakPolarHBondContact O-CD1 3.47Å; M931-F935 VanDerWaalsContact O-CG 3.31Å; M931-F935 WeakPolarHBondContact O-CG 3.21Å; M931-F935 PolarHBondContact O-N 2.7Å; F932-F935 PolarHBondContact O-N 2.77Å; F935-I938 PolarHBondContact O-N 2.82Å; F935-M939 WeakPolarHBondContact O-CB 3.47Å; F935-M939 PolarHBondContact O-N 2.79Å
936	M	96.4	Very high	94.9	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-41.8	173.3	-67.7	-65.7	-78.9	0	0	111	F644 L647 Y875 F932 F933 I938 M939 Y940	F644-M936 HydrophobicContact CD2-SD 4.11Å; F644-M936 HydrophobicContact CE2-SD 4.19Å; L647-M936 HydrophobicContact CD1-CE 3.9Å; L647-M936 HydrophobicContact CD1-SD 3.8Å; Y875-M936 HydrophobicContact CD1-CB 3.84Å; Y875-M936 HydrophobicContact CD2-CB 4.16Å; Y875-M936 HydrophobicContact CE1-CB 3.74Å; Y875-M936 HydrophobicContact CE1-CE 4.41Å; Y875-M936 HydrophobicContact CE1-CG 4.27Å; Y875-M936 HydrophobicContact CE2-CB 4.04Å; Y875-M936 HydrophobicContact CE2-CE 4.19Å; Y875-M936 HydrophobicContact CG-CB 4.08Å; Y875-M936 WeakPolarHBondContact OH-CE 3.4Å; F932-M936 HydrophobicContact CD1-CG 4.32Å; F932-M936 HydrophobicContact CE1-CG 3.96Å; F932-M936 HydrophobicContact CE2-CG 4.38Å; F932-M936 HydrophobicContact CZ-CG 3.99Å; F932-M936 HydrophobicContact CZ-SD 4.3Å; F932-M936 VanDerWaalsContact O-CG 3.28Å; F932-M936 WeakPolarHBondContact O-CG 3.32Å; F932-M936 PolarHBondContact O-N 2.91Å; F933-M936 PolarHBondContact O-N 2.9Å; M936-I938 PolarHBondContact O-N 2.82Å; M936-M939 WeakPolarHBondContact O-CB 3.48Å; M936-M939 PolarHBondContact O-N 2.91Å; M936-M939 VanDerWaalsContact O-N 3.12Å; M936-Y940 HydrophobicContact CE-CD2 4.28Å; M936-Y940 HydrophobicContact CE-CE2 3.58Å; M936-Y940 VanDerWaalsContact O-CD2 3.25Å; M936-Y940 WeakPolarHBondContact O-CD2 3.34Å; M936-Y940 PolarHBondContact O-N 2.86Å; M936-Y940 HydrophobicContact SD-CE2 4.18Å
937	L	96	Very high	94.4	Very high	23 Å²	23	24.7 Å²	24.7	12%	0.12	13%	0.126	C	C	.	.	H	α-helix	trans	-54.5	-53.1	172.6	173.8	54.4	0	0	0	111	I876 F933 S934 M939 Y940 V941	I876-L937 HydrophobicContact CD1-CD1 4.24Å; I876-L937 HydrophobicContact CG1-CD1 3.49Å; I876-L937 VanDerWaalsContact CG1-CD1 3.49Å; I876-L937 HydrophobicContact CG1-CD2 3.93Å; I876-L937 HydrophobicContact CG1-CG 4.38Å; F933-L937 WeakPolarHBondContact O-CB 3.23Å; F933-L937 PolarHBondContact O-N 3.47Å; S934-L937 WeakPolarHBondContact O-CB 3.45Å; S934-L937 PolarHBondContact O-N 2.92Å; L937-M939 PolarHBondContact O-N 2.88Å; L937-Y940 CarbonylContact O-C 3.39Å; L937-Y940 PolarHBondContact O-N 2.81Å; L937-Y940 VanDerWaalsContact O-N 3.12Å; L937-V941 HydrophobicContact CD1-CB 4.31Å; L937-V941 VanDerWaalsContact O-CB 3.26Å; L937-V941 WeakPolarHBondContact O-CB 3.3Å; L937-V941 PolarHBondContact O-N 2.87Å
938	I	95	Very high	94	Very high	22 Å²	22	28.4 Å²	28.4	11%	0.113	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-29.7	178.9	-64.2	166.4	0	0	0	112	F677 V717 K720 I721 S934 F935 M936	F677-I938 HydrophobicContact CE1-CG2 3.97Å; F677-I938 HydrophobicContact CZ-CG2 4.34Å; V717-I938 HydrophobicContact CG1-CD1 3.53Å; K720-I938 HydrophobicContact CG-CG2 3.76Å; I721-I938 HydrophobicContact CD1-CD1 4.3Å; I721-I938 HydrophobicContact CG1-CD1 4.15Å; I721-I938 HydrophobicContact CG1-CG1 4.44Å; S934-I938 WeakPolarHBondContact O-CG1 3.18Å; S934-I938 PolarHBondContact O-N 3.43Å; F935-I938 PolarHBondContact O-N 2.82Å; M936-I938 PolarHBondContact O-N 2.82Å
939	M	94.6	Very high	93.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-72.4	-32.9	174.9	-173.4	178.2	-73.5	0	0	113.8	F644 T648 R651 F677 F935 M936 L937	F644-M939 HydrophobicContact CD2-CE 4.4Å; F644-M939 HydrophobicContact CE1-CE 4.47Å; F644-M939 HydrophobicContact CE2-CE 3.47Å; F644-M939 VanDerWaalsContact CE2-CE 3.47Å; F644-M939 HydrophobicContact CE2-SD 4.5Å; F644-M939 HydrophobicContact CZ-CE 3.53Å; T648-M939 WeakPolarHBondContact OG1-CE 3.42Å; R651-M939 VanDerWaalsContact CD-SD 3.51Å; R651-M939 VanDerWaalsContact CZ-O 3.3Å; R651-M939 PolarHBondContact NH1-O 3.43Å; R651-M939 PolarHBondContact NH2-O 3.36Å; F677-M939 HydrophobicContact CE1-CB 4.24Å; F677-M939 HydrophobicContact CG-CE 4.46Å; F677-M939 HydrophobicContact CZ-CB 4.11Å; F677-M939 HydrophobicContact CZ-CG 4.4Å; F935-M939 WeakPolarHBondContact O-CB 3.47Å; F935-M939 PolarHBondContact O-N 2.79Å; M936-M939 WeakPolarHBondContact O-CB 3.48Å; M936-M939 PolarHBondContact O-N 2.91Å; M936-M939 VanDerWaalsContact O-N 3.12Å; L937-M939 PolarHBondContact O-N 2.88Å
940	Y	93.1	Very high	93.2	Very high	34 Å²	34	31.2 Å²	31.2	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-111.1	-0.6	-173.3	-70.5	-82.3	0	0	0	114.5	L871 S872 Y875 M936 L937 D942 D943	L871-Y940 HydrophobicContact CD2-CD1 3.57Å; L871-Y940 HydrophobicContact CD2-CE1 3.76Å; L871-Y940 HydrophobicContact CD2-CG 4.01Å; L871-Y940 HydrophobicContact CG-CD1 4.48Å; S872-Y940 PolarHBondContact OG-O 3.33Å; Y875-Y940 HydrophobicContact CD2-CD2 4.29Å; Y875-Y940 AromaticContact CE2-CD2 3.85Å; Y875-Y940 HydrophobicContact CE2-CD2 3.85Å; Y875-Y940 HydrophobicContact CE2-CE2 4.34Å; Y875-Y940 HydrophobicContact CE2-CG 4.4Å; M936-Y940 HydrophobicContact CE-CD2 4.28Å; M936-Y940 HydrophobicContact CE-CE2 3.58Å; M936-Y940 VanDerWaalsContact O-CD2 3.25Å; M936-Y940 WeakPolarHBondContact O-CD2 3.34Å; M936-Y940 PolarHBondContact O-N 2.86Å; M936-Y940 HydrophobicContact SD-CE2 4.18Å; L937-Y940 CarbonylContact O-C 3.39Å; L937-Y940 PolarHBondContact O-N 2.81Å; L937-Y940 VanDerWaalsContact O-N 3.12Å; Y940-D942 VanDerWaalsContact C-N 3.34Å; Y940-D942 PolarHBondContact O-N 3.04Å; Y940-D943 WeakPolarHBondContact CD1-OD2 3.29Å
941	V	93.5	Very high	92.7	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.085	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-32.7	-174.7	62.1	0	0	0	0	113.6	Y857 K861 F868 L937	Y857-V941 HydrophobicContact CD1-CG2 4.45Å; Y857-V941 HydrophobicContact CE1-CG1 4.18Å; Y857-V941 HydrophobicContact CE1-CG2 4.15Å; K861-V941 HydrophobicContact CD-CG2 4.06Å; K861-V941 WeakPolarHBondContact CE-O 3.23Å; K861-V941 PolarHBondContact NZ-O 3.12Å; F868-V941 HydrophobicContact CD1-CG2 4.37Å; F868-V941 HydrophobicContact CE1-CG2 3.88Å; L937-V941 HydrophobicContact CD1-CB 4.31Å; L937-V941 VanDerWaalsContact O-CB 3.26Å; L937-V941 WeakPolarHBondContact O-CB 3.3Å; L937-V941 PolarHBondContact O-N 2.87Å
942	D	92.7	Very high	92.2	Very high	14 Å²	14	40.3 Å²	40.3	8%	0.075	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	16.3	-176.6	-67.7	-60.8	0	0	0	115	I670 T724 R725 Y857 K861 Y940 D944 L945	I670-D942 HydrophobicContact CD1-CB 3.65Å; T724-D942 WeakPolarHBondContact CG2-OD2 3.41Å; R725-D942 IonicContact CZ-OD1 3.3Å; R725-D942 IonicContact NH2-OD1 3.81Å; R725-D942 PolarHBondContact NH2-OD1 3.17Å; Y857-D942 VanDerWaalsContact OH-CG 3.26Å; Y857-D942 PolarHBondContact OH-OD1 3.05Å; Y857-D942 PolarHBondContact OH-OD2 2.98Å; K861-D942 IonicContact NZ-OD1 3.64Å; K861-D942 PolarHBondContact NZ-OD1 2.04Å; Y940-D942 VanDerWaalsContact C-N 3.34Å; Y940-D942 PolarHBondContact O-N 3.04Å; D942-D944 PolarHBondContact O-N 3.25Å; D942-D944 VanDerWaalsContact O-N 3.17Å; D942-L945 HydrophobicContact CB-CD1 4.25Å; D942-L945 WeakPolarHBondContact O-CB 3.47Å; D942-L945 PolarHBondContact O-N 3.41Å
943	D	90.5	Very high	91.8	Very high	29 Å²	29	40.1 Å²	40.1	16%	0.155	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66.8	-16.6	179.6	-79.5	2.6	0	0	0	112.7	R651 Q869 Y940 L945 S946	R651-D943 IonicContact CZ-OD1 3.74Å; R651-D943 IonicContact CZ-OD2 3.58Å; R651-D943 IonicContact NH1-OD1 3.65Å; R651-D943 PolarHBondContact NH1-OD1 2.91Å; R651-D943 IonicContact NH1-OD2 3.43Å; R651-D943 PolarHBondContact NH1-OD2 3.12Å; R651-D943 IonicContact NH2-OD1 2.81Å; R651-D943 PolarHBondContact NH2-OD1 3Å; R651-D943 IonicContact NH2-OD2 3.6Å; Q869-D943 PolarHBondContact NE2-O 3Å; Y940-D943 WeakPolarHBondContact CD1-OD2 3.29Å; D943-L945 VanDerWaalsContact C-N 3.26Å; D943-L945 PolarHBondContact O-N 2.92Å; D943-S946 VanDerWaalsContact O-CB 3.3Å; D943-S946 WeakPolarHBondContact O-CB 3.45Å; D943-S946 PolarHBondContact O-N 2.58Å; D943-S946 PolarHBondContact O-OG 2.95Å
944	D	90.7	Very high	91.3	Very high	30 Å²	30	41.2 Å²	41.2	16%	0.16	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-66.6	-25.6	169.7	77.3	-57	0	0	0	113.5	K861 R867 Q869 D942 R948	K861-D944 WeakPolarHBondContact CE-OD1 3.41Å; K861-D944 IonicContact NZ-OD1 3.1Å; K861-D944 PolarHBondContact NZ-OD1 3.3Å; K861-D944 IonicContact NZ-OD2 3.69Å; R867-D944 PolarHBondContact N-OD2 3.03Å; R867-D944 WeakPolarHBondContact O-CB 3.24Å; Q869-D944 HydrophobicContact CG-CB 4.03Å; D942-D944 PolarHBondContact O-N 3.25Å; D942-D944 VanDerWaalsContact O-N 3.17Å; D944-R948 IonicContact OD2-NH2 3.5Å
945	L	90.2	Very high	90.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-86	-9	177.8	-56.9	-179.7	0	0	0	113.4	G669 I670 R725 E866 D942 D943 K947 R948 I953	G669-L945 VanDerWaalsContact CA-O 3.26Å; G669-L945 WeakPolarHBondContact CA-O 3.38Å; I670-L945 HydrophobicContact CD1-CD1 3.84Å; I670-L945 HydrophobicContact CG1-CD1 4.12Å; R725-L945 VanDerWaalsContact NH2-CD1 3.32Å; E866-L945 HydrophobicContact CG-CD2 4.01Å; E866-L945 WeakPolarHBondContact OE2-CD1 3.28Å; D942-L945 HydrophobicContact CB-CD1 4.25Å; D942-L945 WeakPolarHBondContact O-CB 3.47Å; D942-L945 PolarHBondContact O-N 3.41Å; D943-L945 VanDerWaalsContact C-N 3.26Å; D943-L945 PolarHBondContact O-N 2.92Å; L945-K947 PolarHBondContact O-N 2.97Å; L945-R948 HydrophobicContact CD2-CG 4.45Å; L945-R948 PolarHBondContact O-N 3Å; L945-I953 HydrophobicContact CB-CD1 4.1Å; L945-I953 HydrophobicContact CD1-CD1 4.43Å; L945-I953 HydrophobicContact CD1-CG2 3.77Å
946	S	86.3	Confident	89.9	Confident	67 Å²	67	41.5 Å²	41.5	47%	0.469	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-26.8	-174.2	56.9	0	0	0	0	115.5	D943	D943-S946 VanDerWaalsContact O-CB 3.3Å; D943-S946 WeakPolarHBondContact O-CB 3.45Å; D943-S946 PolarHBondContact O-N 2.58Å; D943-S946 PolarHBondContact O-OG 2.95Å
947	K	85.6	Confident	89.6	Confident	178 Å²	178	43.3 Å²	43.3	77%	0.774	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-4.3	177.5	-61.6	-177.4	-177.6	177.9	0	114.7	L945	L945-K947 PolarHBondContact O-N 2.97Å
948	R	88.2	Confident	89.3	Confident	82 Å²	82	44.4 Å²	44.4	31%	0.309	22%	0.217	S	C	.	.	S	Bend	trans	-82.2	135.1	-179.1	-63.9	-165.3	-168.8	178.1	0.8	110.3	G669 D944 L945 I953	G669-R948 PolarHBondContact N-O 2.84Å; D944-R948 IonicContact OD2-NH2 3.5Å; L945-R948 HydrophobicContact CD2-CG 4.45Å; L945-R948 PolarHBondContact O-N 3Å; R948-I953 HydrophobicContact CB-CD1 4.36Å; R948-I953 HydrophobicContact CB-CG1 4.19Å
949	P	89.5	Confident	88.9	Confident	44 Å²	44	45.6 Å²	45.6	29%	0.286	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-56.2	141.2	169.1	-27.9	37.3	0	0	0	112.6	L668 N951 Q952	L668-P949 HydrophobicContact CD2-CG 4.25Å; P949-N951 VanDerWaalsContact C-N 3.26Å; P949-N951 WeakPolarHBondContact CB-OD1 3.32Å; P949-N951 PolarHBondContact O-N 2.97Å; P949-Q952 HydrophobicContact CB-CG 4.36Å; P949-Q952 WeakPolarHBondContact O-CB 3.4Å; P949-Q952 PolarHBondContact O-N 3.32Å
950	R	89.5	Confident	88.6	Confident	41 Å²	41	48.1 Å²	48.1	16%	0.155	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62	-28.6	-177	-77.1	-178.3	-172.5	161	14.8	115.3	V559 S560 Q666 V667 G669 Q952 I953	V559-R950 HydrophobicContact CG1-CG 4.36Å; S560-R950 PolarHBondContact N-O 3.5Å; Q666-R950 PolarHBondContact O-NH1 3.49Å; Q666-R950 PolarHBondContact O-NH2 2.64Å; V667-R950 PolarHBondContact O-N 3.03Å; V667-R950 VanDerWaalsContact O-N 3.12Å; G669-R950 WeakPolarHBondContact O-CG 3.4Å; G669-R950 PolarHBondContact O-NE 3.14Å; R950-Q952 PolarHBondContact O-N 2.89Å; R950-I953 PolarHBondContact O-N 2.88Å
951	N	87	Confident	88.3	Confident	97 Å²	97	48.9 Å²	48.9	52%	0.519	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-73.5	5.7	172.9	65.5	-23.6	0	0	0	113.6	Y558 P949	Y558-N951 VanDerWaalsContact CD1-O 3.28Å; Y558-N951 WeakPolarHBondContact CD1-O 3.48Å; Y558-N951 WeakPolarHBondContact CE1-O 3.35Å; P949-N951 VanDerWaalsContact C-N 3.26Å; P949-N951 WeakPolarHBondContact CB-OD1 3.32Å; P949-N951 PolarHBondContact O-N 2.97Å
952	Q	86.8	Confident	88	Confident	113 Å²	113	51.3 Å²	51.3	53%	0.528	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-121.3	3.7	173.4	-59.3	-179.4	-5.9	0	0	112.5	P949 R950	P949-Q952 HydrophobicContact CB-CG 4.36Å; P949-Q952 WeakPolarHBondContact O-CB 3.4Å; P949-Q952 PolarHBondContact O-N 3.32Å; R950-Q952 PolarHBondContact O-N 2.89Å
953	I	89.1	Confident	87.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-104.3	117.7	178.6	-57.5	172.8	0	0	0	108	Y558 V559 I670 L945 R948 R950	Y558-I953 CarbonylContact C-O 3.57Å; Y558-I953 VanDerWaalsContact CA-O 3.32Å; Y558-I953 WeakPolarHBondContact CA-O 3.4Å; V559-I953 HydrophobicContact CB-CB 4.24Å; V559-I953 HydrophobicContact CB-CG2 4.35Å; V559-I953 HydrophobicContact CG2-CB 4Å; V559-I953 HydrophobicContact CG2-CG2 3.61Å; V559-I953 PolarHBondContact N-O 2.95Å; I670-I953 HydrophobicContact CG1-CD1 4.45Å; L945-I953 HydrophobicContact CB-CD1 4.1Å; L945-I953 HydrophobicContact CD1-CD1 4.43Å; L945-I953 HydrophobicContact CD1-CG2 3.77Å; R948-I953 HydrophobicContact CB-CD1 4.36Å; R948-I953 HydrophobicContact CB-CG1 4.19Å; R950-I953 PolarHBondContact O-N 2.88Å
954	F	87.2	Confident	87.4	Confident	50 Å²	50	55.8 Å²	55.8	22%	0.219	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-74.4	148	-178.9	-66.1	-72.9	0	0	0	112.2	L556 Y558 R725 H864	L556-F954 HydrophobicContact CB-CE1 4.45Å; L556-F954 HydrophobicContact CD2-CD1 4.18Å; L556-F954 HydrophobicContact CD2-CE1 3.75Å; Y558-F954 HydrophobicContact CD1-CD1 4.12Å; Y558-F954 HydrophobicContact CD1-CE1 4.24Å; Y558-F954 AromaticContact CE1-CD1 3.66Å; Y558-F954 HydrophobicContact CE1-CD1 3.66Å; Y558-F954 AromaticContact CE1-CE1 3.33Å; Y558-F954 HydrophobicContact CE1-CE1 3.33Å; Y558-F954 HydrophobicContact CE1-CG 4.39Å; Y558-F954 AromaticContact CE1-CZ 3.83Å; Y558-F954 HydrophobicContact CE1-CZ 3.83Å; Y558-F954 AromaticContact CZ-CE1 3.56Å; Y558-F954 WeakPolarHBondContact OH-CE1 3.35Å; R725-F954 PolarHBondContact NH1-O 3.39Å; H864-F954 HydrophobicContact CB-CD2 4.32Å; H864-F954 AromaticContact CE1-CG 3.97Å; H864-F954 AromaticContact ND1-CD2 3.52Å; H864-F954 AromaticContact ND1-CG 3.73Å
955	V	84.2	Confident	87.2	Confident	11 Å²	11	58 Å²	58	7%	0.067	28%	0.282	C	S	.	.			trans	-102.2	126.3	171	-177.6	0	0	0	0	108.6	L557 Y558 V559 L562 R725 H726 M780 R812	L557-V955 HydrophobicContact CB-CB 4.38Å; L557-V955 PolarHBondContact O-N 3.46Å; Y558-V955 VanDerWaalsContact C-CG2 3.42Å; V559-V955 HydrophobicContact CB-CG2 4.5Å; V559-V955 HydrophobicContact CG2-CG2 3.86Å; L562-V955 HydrophobicContact CD1-CG1 3.75Å; L562-V955 HydrophobicContact CD1-CG2 4.16Å; R725-V955 HydrophobicContact CB-CG1 4.29Å; H726-V955 VanDerWaalsContact NE2-CG1 3.26Å; H726-V955 WeakPolarHBondContact NE2-CG1 3.38Å; M780-V955 HydrophobicContact SD-CG1 4.35Å; R812-V955 PolarHBondContact NH2-O 2.74Å
956	F	82.2	Confident	86.9	Confident	13 Å²	13	63.3 Å²	63.3	6%	0.057	31%	0.307	C	S	.	.			trans	-134.5	0	178.7	50	-107.4	0	0	0	111.5	R725 H726 R812 F856 Y857 M860 H864	R725-F956 HydrophobicContact CG-CE2 4.45Å; R725-F956 HydrophobicContact CG-CZ 4.47Å; H726-F956 PolarHBondContact CE1-O 2.92Å; R812-F956 PolarHBondContact NE-OXT 2.84Å; F856-F956 HydrophobicContact CE1-CD2 4.2Å; Y857-F956 AromaticContact CD2-CE2 3.59Å; Y857-F956 HydrophobicContact CD2-CE2 3.59Å; Y857-F956 HydrophobicContact CD2-CZ 4.27Å; Y857-F956 AromaticContact CE2-CE2 3.66Å; Y857-F956 HydrophobicContact CE2-CE2 3.66Å; Y857-F956 AromaticContact CE2-CZ 3.99Å; Y857-F956 HydrophobicContact CE2-CZ 3.99Å; Y857-F956 HydrophobicContact CG-CE2 4.19Å; M860-F956 HydrophobicContact CB-CB 4.23Å; M860-F956 HydrophobicContact CB-CD1 3.83Å; M860-F956 HydrophobicContact CB-CD2 3.34Å; M860-F956 HydrophobicContact CB-CE1 3.92Å; M860-F956 HydrophobicContact CB-CE2 3.44Å; M860-F956 VanDerWaalsContact CB-CE2 3.44Å; M860-F956 HydrophobicContact CB-CG 3.54Å; M860-F956 HydrophobicContact CB-CZ 3.74Å; M860-F956 HydrophobicContact CE-CB 3.52Å; M860-F956 HydrophobicContact CE-CD1 4.39Å; M860-F956 HydrophobicContact CE-CG 4.02Å; M860-F956 HydrophobicContact CG-CB 4.1Å; M860-F956 HydrophobicContact CG-CD2 3.7Å; M860-F956 HydrophobicContact CG-CE2 4.23Å; M860-F956 HydrophobicContact CG-CG 3.9Å; H864-F956 AromaticContact CD2-CD1 3.58Å; H864-F956 AromaticContact NE2-CD1 3.89Å

Retrieved 956 of 956 residues in 1747.1 ms (Link to these results)

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