HMDH_SCHMA Loading...

3-hydroxy-3-methylglutaryl-coenzyme A reductase

This transmembrane glycoprotein is involved in the control of cholesterol and nonsterol isoprenoid compounds biosynthesis. It is the rate-limiting enzyme of sterol biosynthesis.

AlphaFold DB , UniProt , Accession P16237, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 948 aa.

						>HMDH_SCHMA|P16237
MLKILNTVLLFFDCFSTGTFFVLLIYLFTRLRTHLLHFSSSNCHLDVIIYQSRAVIIFLVVFVYFIGVLTCKINDKILVHTMLRNKRQLNTLFYTLILFTFALCSLSSVLFVPYTSFAIFLLSTSVFLLFSDLSVFFIVLEYYLLEIELVNYEHAKRHCLLSHLFSNQLFVDHMLGMFLKTSLFSISTTSKYAYLESIFKCTLMEQIIYIMIVFVFLPSFMRIFASYAKRMYGEQKKCLVSNKGVSSSTRKRRHSYSSGHSYVEYRRMSVHNLIGYVVNPNCHYKCWSTTFVIFVSLIILHLNNRYSERISSFKHNSSENEVFPVLYHITAYEVTSIFHFIYNIFHVINANLVVYLFLGLFLFKRIRLNKPINSQLRNLNIPKIKETLISDQVKQSPVLPKFSKKLNDIPLQSRKRIYCLHKDDDYIDRNDSSSVSTFSNTCKNSNERPSNVLDLDMLTEKIKQGLGHELSDTEILQLLSHGRLKTRELESVVRNPFRAVELRRLDLSTFLNNPHIIERIPYKDYDYRLVYGQCCEEVIGYMPIPVGKIGPLLLDGRSHYIPLATTEGCLVASTNRGCRAIFLAGGIKSVVYRDQMTRAPVVWFPSIIDSVKCIAWIDSEEGFQTLKSAFDKTSAHVNLLSVFACPAGRYIHIRFAARTGDAMGMNMVSKATDSALHCLKKYFSNMQVISLSGNMCTDKKPATINTILGRGKSVIAEAHLSADVLAQVLHTNAQRLARLTHSKNWIGSAMAGCPGMMGCNAHAANIIAGMFAATGQDLAQVVDSSSCLTQLEVDLSDDSLVASVTMPCLEVGTVGGGTRLSGQRACLDLLDLSVDRPTEHLSRIIAGTVLAAELSLMAALDTDDLVKAHMHFNRAKQSTNSHSCSHSTTTDNNDNISNIYDNHNVALSSKIPVTDNSDIRESVHSLHVKPFPVKSDLSVNPEISHYTM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	45.1	Very low	191 Å²	191	120.4 Å²	120.4	94%	0.941	61%	0.612	S	S	*	*				0	-69.1	0	-68.3	-60.4	-95	0	0	112.5	K3 I4 L5	M1-K3 PolarHBondContact O-N 2.87Å; M1-I4 WeakPolarHBondContact O-CB 3.43Å; M1-I4 PolarHBondContact O-N 3.33Å; M1-L5 PolarHBondContact O-N 2.71Å
2	L	37.9	Very low	45.1	Very low	134 Å²	134	120.4 Å²	120.4	70%	0.702	61%	0.605	S	S	*	*	H	α-helix	trans	-59.4	-39.5	-177.5	-152.4	82.3	0	0	0	114.3	I4 L5 N6	L2-I4 PolarHBondContact O-N 2.96Å; L2-L5 PolarHBondContact O-N 2.94Å; L2-N6 PolarHBondContact O-N 2.71Å
3	K	40.2	Very low	44.8	Very low	182 Å²	182	118.8 Å²	118.8	79%	0.791	60%	0.599	S	S	*	*	H	α-helix	trans	-62.9	-38.4	173.5	-73.9	-175.7	177.4	-179.6	0	112.7	M1 N6 T7	M1-K3 PolarHBondContact O-N 2.87Å; K3-N6 PolarHBondContact O-N 2.83Å; K3-T7 PolarHBondContact O-N 2.96Å; K3-T7 PolarHBondContact O-OG1 3.41Å
4	I	49.8	Very low	44.7	Very low	108 Å²	108	116.4 Å²	116.4	55%	0.554	60%	0.598	S	S	*	*	H	α-helix	trans	-67.1	-42.7	177.7	-63.4	169.1	0	0	0	109.8	M1 L2 N6 T7 V8	M1-I4 WeakPolarHBondContact O-CB 3.43Å; M1-I4 PolarHBondContact O-N 3.33Å; L2-I4 PolarHBondContact O-N 2.96Å; I4-N6 PolarHBondContact O-N 2.85Å; I4-T7 PolarHBondContact O-N 3.37Å; I4-V8 HydrophobicContact CG2-CG2 4.4Å; I4-V8 VanDerWaalsContact O-CG2 3.3Å; I4-V8 WeakPolarHBondContact O-CG2 3.22Å; I4-V8 PolarHBondContact O-N 3.27Å
5	L	46.8	Very low	44.7	Very low	99 Å²	99	117.6 Å²	117.6	52%	0.518	60%	0.597	S	S	.	*	H	α-helix	trans	-60.8	-42.9	176.1	-171.8	69.2	0	0	0	111.9	M1 L2 V8 L9	M1-L5 PolarHBondContact O-N 2.71Å; L2-L5 PolarHBondContact O-N 2.94Å; L5-V8 PolarHBondContact O-N 3.15Å; L5-L9 HydrophobicContact CG-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 3.41Å
6	N	45.7	Very low	44.7	Very low	93 Å²	93	114.5 Å²	114.5	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-40.4	175.1	-82.2	-2.2	0	0	0	112.5	L2 K3 I4 V8 L9 L10	L2-N6 PolarHBondContact O-N 2.71Å; K3-N6 PolarHBondContact O-N 2.83Å; I4-N6 PolarHBondContact O-N 2.85Å; N6-V8 VanDerWaalsContact C-N 3.34Å; N6-L9 PolarHBondContact O-N 3.44Å; N6-L10 WeakPolarHBondContact O-CB 3.44Å; N6-L10 PolarHBondContact O-N 2.89Å
7	T	50.1	Low	44.7	Very low	96 Å²	96	112.2 Å²	112.2	59%	0.589	58%	0.582	S	S	*	*	H	α-helix	trans	-64.6	-39.5	175.8	-51	0	0	0	0	111.5	K3 I4 F11	K3-T7 PolarHBondContact O-N 2.96Å; K3-T7 PolarHBondContact O-OG1 3.41Å; I4-T7 PolarHBondContact O-N 3.37Å; T7-F11 VanDerWaalsContact O-CB 3.3Å; T7-F11 WeakPolarHBondContact O-CB 3.2Å; T7-F11 PolarHBondContact O-N 2.87Å
8	V	47.3	Very low	44.5	Very low	71 Å²	71	107.9 Å²	107.9	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-41.2	176.3	171.9	0	0	0	0	111.3	I4 L5 N6 F11 F12	I4-V8 HydrophobicContact CG2-CG2 4.4Å; I4-V8 VanDerWaalsContact O-CG2 3.3Å; I4-V8 WeakPolarHBondContact O-CG2 3.22Å; I4-V8 PolarHBondContact O-N 3.27Å; L5-V8 PolarHBondContact O-N 3.15Å; N6-V8 VanDerWaalsContact C-N 3.34Å; V8-F11 PolarHBondContact O-N 3.18Å; V8-F12 HydrophobicContact CG1-CD2 4.11Å; V8-F12 HydrophobicContact CG1-CE2 4.46Å; V8-F12 WeakPolarHBondContact O-CB 3.43Å; V8-F12 PolarHBondContact O-N 3.47Å
9	L	45.8	Very low	44.5	Very low	93 Å²	93	105.4 Å²	105.4	49%	0.487	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-45.5	175.4	-77.5	164.4	0	0	0	112.1	L5 N6 F11 F12 D13	L5-L9 HydrophobicContact CG-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 3.41Å; N6-L9 PolarHBondContact O-N 3.44Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.25Å; L9-F12 WeakPolarHBondContact O-CB 3.43Å; L9-F12 PolarHBondContact O-N 3.32Å; L9-F12 VanDerWaalsContact O-N 3.15Å; L9-D13 PolarHBondContact O-N 3.09Å
10	L	46.2	Very low	44.5	Very low	113 Å²	113	103.7 Å²	103.7	59%	0.592	55%	0.547	S	S	*	.	H	α-helix	trans	-60.4	-39.8	173.9	-94.3	152.2	0	0	0	112.2	N6 D13 C14	N6-L10 WeakPolarHBondContact O-CB 3.44Å; N6-L10 PolarHBondContact O-N 2.89Å; L10-D13 PolarHBondContact O-N 2.87Å; L10-C14 PolarHBondContact O-N 3.44Å; L10-C14 PolarHBondContact O-SG 3.19Å
11	F	43.6	Very low	44.5	Very low	144 Å²	144	105 Å²	105	63%	0.632	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-40.7	174.8	-172.1	-95.1	0	0	0	111.4	T7 V8 L9 C14 F15	T7-F11 VanDerWaalsContact O-CB 3.3Å; T7-F11 WeakPolarHBondContact O-CB 3.2Å; T7-F11 PolarHBondContact O-N 2.87Å; V8-F11 PolarHBondContact O-N 3.18Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.25Å; F11-C14 PolarHBondContact O-N 3.3Å; F11-F15 VanDerWaalsContact O-CB 3.31Å; F11-F15 WeakPolarHBondContact O-CB 3.31Å; F11-F15 PolarHBondContact O-N 3.27Å
12	F	44.8	Very low	44.8	Very low	121 Å²	121	100.6 Å²	100.6	53%	0.531	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-39.2	174.1	-105.9	-81.8	0	0	0	112.8	V8 L9 F15 S16	V8-F12 HydrophobicContact CG1-CD2 4.11Å; V8-F12 HydrophobicContact CG1-CE2 4.46Å; V8-F12 WeakPolarHBondContact O-CB 3.43Å; V8-F12 PolarHBondContact O-N 3.47Å; L9-F12 WeakPolarHBondContact O-CB 3.43Å; L9-F12 PolarHBondContact O-N 3.32Å; L9-F12 VanDerWaalsContact O-N 3.15Å; F12-F15 PolarHBondContact O-N 3.44Å; F12-S16 WeakPolarHBondContact O-CB 3.17Å; F12-S16 PolarHBondContact O-N 3.04Å
13	D	41.5	Very low	45.3	Very low	99 Å²	99	99.4 Å²	99.4	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-47.8	175.6	-80.1	-18.5	0	0	0	111.1	L9 L10 F15 S16 T17	L9-D13 PolarHBondContact O-N 3.09Å; L10-D13 PolarHBondContact O-N 2.87Å; D13-F15 VanDerWaalsContact C-N 3.32Å; D13-F15 PolarHBondContact O-N 3.36Å; D13-S16 PolarHBondContact O-N 2.86Å; D13-S16 PolarHBondContact O-OG 3.31Å; D13-T17 WeakPolarHBondContact O-CB 3.28Å; D13-T17 WeakPolarHBondContact O-CG2 3.47Å; D13-T17 PolarHBondContact O-N 3.38Å; D13-T17 PolarHBondContact O-OG1 2.89Å
14	C	43.8	Very low	45.7	Very low	85 Å²	85	93.2 Å²	93.2	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-61.3	-39.6	174.5	-72.6	0	0	0	0	112.1	L10 F11 T17 G18	L10-C14 PolarHBondContact O-N 3.44Å; L10-C14 PolarHBondContact O-SG 3.19Å; F11-C14 PolarHBondContact O-N 3.3Å; C14-T17 WeakPolarHBondContact CA-OG1 3.1Å; C14-T17 PolarHBondContact O-OG1 2.92Å; C14-T17 VanDerWaalsContact O-OG1 3.12Å; C14-G18 PolarHBondContact O-N 2.98Å
15	F	44.5	Very low	45.7	Very low	135 Å²	135	93.1 Å²	93.1	59%	0.592	50%	0.501	S	S	*	.	H	α-helix	trans	-68	-46.3	177.6	-163.8	-94.4	0	0	0	111.2	F11 F12 D13 G18 T19	F11-F15 VanDerWaalsContact O-CB 3.31Å; F11-F15 WeakPolarHBondContact O-CB 3.31Å; F11-F15 PolarHBondContact O-N 3.27Å; F12-F15 PolarHBondContact O-N 3.44Å; D13-F15 VanDerWaalsContact C-N 3.32Å; D13-F15 PolarHBondContact O-N 3.36Å; F15-G18 PolarHBondContact O-N 3.43Å; F15-T19 WeakPolarHBondContact O-CB 3.45Å; F15-T19 PolarHBondContact O-N 3.42Å; F15-T19 PolarHBondContact O-OG1 3.44Å
16	S	45.3	Very low	45.7	Very low	68 Å²	68	94.2 Å²	94.2	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-40.6	-179.6	85.3	0	0	0	0	112.2	F12 D13 T19 F20	F12-S16 WeakPolarHBondContact O-CB 3.17Å; F12-S16 PolarHBondContact O-N 3.04Å; D13-S16 PolarHBondContact O-N 2.86Å; D13-S16 PolarHBondContact O-OG 3.31Å; S16-T19 PolarHBondContact O-N 3.48Å; S16-F20 WeakPolarHBondContact O-CB 3.32Å; S16-F20 PolarHBondContact O-N 2.92Å
17	T	43.7	Very low	45.9	Very low	75 Å²	75	93.7 Å²	93.7	46%	0.46	50%	0.496	S	S	.	.	H	α-helix	trans	-67.3	-40.8	175.4	46.8	0	0	0	0	111.8	D13 C14 F20 F21	D13-T17 WeakPolarHBondContact O-CB 3.28Å; D13-T17 WeakPolarHBondContact O-CG2 3.47Å; D13-T17 PolarHBondContact O-N 3.38Å; D13-T17 PolarHBondContact O-OG1 2.89Å; C14-T17 WeakPolarHBondContact CA-OG1 3.1Å; C14-T17 PolarHBondContact O-OG1 2.92Å; C14-T17 VanDerWaalsContact O-OG1 3.12Å; T17-F20 WeakPolarHBondContact O-CB 3.34Å; T17-F20 PolarHBondContact O-N 2.85Å; T17-F21 PolarHBondContact O-N 3.47Å
18	G	42.1	Very low	45.8	Very low	36 Å²	36	95.6 Å²	95.6	37%	0.371	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-45.1	171.8	0	0	0	0	0	112.5	C14 F15 F20 F21 V22	C14-G18 PolarHBondContact O-N 2.98Å; F15-G18 PolarHBondContact O-N 3.43Å; G18-F20 VanDerWaalsContact C-N 3.31Å; G18-F20 PolarHBondContact O-N 3.02Å; G18-F21 PolarHBondContact O-N 3.08Å; G18-V22 WeakPolarHBondContact O-CG2 3.29Å; G18-V22 PolarHBondContact O-N 3.26Å; G18-V22 VanDerWaalsContact O-N 3.11Å
19	T	44.4	Very low	45.9	Very low	59 Å²	59	95.7 Å²	95.7	36%	0.362	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-37.6	177.5	-37.8	0	0	0	0	111.2	F15 S16 V22 L23	F15-T19 WeakPolarHBondContact O-CB 3.45Å; F15-T19 PolarHBondContact O-N 3.42Å; F15-T19 PolarHBondContact O-OG1 3.44Å; S16-T19 PolarHBondContact O-N 3.48Å; T19-V22 PolarHBondContact O-N 3.14Å; T19-L23 HydrophobicContact CG2-CD1 4.23Å; T19-L23 WeakPolarHBondContact O-CB 3.39Å; T19-L23 PolarHBondContact O-N 2.95Å
20	F	44	Very low	46	Very low	71 Å²	71	95.9 Å²	95.9	31%	0.311	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-48.9	174.4	171.7	-102	0	0	0	112.4	S16 T17 G18 V22 L23 L24 F62	S16-F20 WeakPolarHBondContact O-CB 3.32Å; S16-F20 PolarHBondContact O-N 2.92Å; T17-F20 WeakPolarHBondContact O-CB 3.34Å; T17-F20 PolarHBondContact O-N 2.85Å; G18-F20 VanDerWaalsContact C-N 3.31Å; G18-F20 PolarHBondContact O-N 3.02Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 PolarHBondContact O-N 3.13Å; F20-L23 PolarHBondContact O-N 3.35Å; F20-L24 HydrophobicContact CE1-CD2 4.14Å; F20-L24 HydrophobicContact CE2-CD1 4.2Å; F20-L24 HydrophobicContact CZ-CB 4.37Å; F20-L24 HydrophobicContact CZ-CD1 3.92Å; F20-L24 HydrophobicContact CZ-CD2 4.09Å; F20-L24 HydrophobicContact CZ-CG 4.35Å; F20-L24 VanDerWaalsContact O-CB 3.26Å; F20-L24 WeakPolarHBondContact O-CB 3.45Å; F20-L24 PolarHBondContact O-N 2.91Å; F20-F62 AromaticContact CD2-CE1 3.96Å; F20-F62 HydrophobicContact CD2-CE1 3.96Å; F20-F62 AromaticContact CD2-CZ 3.59Å; F20-F62 HydrophobicContact CD2-CZ 3.59Å; F20-F62 HydrophobicContact CE2-CD1 4.22Å; F20-F62 AromaticContact CE2-CE1 3.15Å; F20-F62 HydrophobicContact CE2-CE1 3.15Å; F20-F62 HydrophobicContact CE2-CE2 4.47Å; F20-F62 AromaticContact CE2-CZ 3.3Å; F20-F62 HydrophobicContact CE2-CZ 3.3Å; F20-F62 AromaticContact CZ-CE1 3.58Å; F20-F62 HydrophobicContact CZ-CE1 3.58Å; F20-F62 HydrophobicContact CZ-CZ 4.07Å
21	F	45.6	Very low	46.1	Very low	131 Å²	131	94.8 Å²	94.8	58%	0.575	49%	0.485	S	S	*	.	H	α-helix	trans	-60.8	-39.7	178.1	-94.5	-81	0	0	0	111.5	T17 G18 L24 I25	T17-F21 PolarHBondContact O-N 3.47Å; G18-F21 PolarHBondContact O-N 3.08Å; F21-L24 PolarHBondContact O-N 3.37Å; F21-I25 VanDerWaalsContact O-CB 3.32Å; F21-I25 WeakPolarHBondContact O-CB 3.29Å; F21-I25 WeakPolarHBondContact O-CD1 2.95Å; F21-I25 WeakPolarHBondContact O-CG1 3.4Å; F21-I25 PolarHBondContact O-N 3.34Å
22	V	48.2	Very low	46.3	Very low	100 Å²	100	96.1 Å²	96.1	61%	0.606	49%	0.486	S	S	*	.	H	α-helix	trans	-64.3	-46.3	175.5	174.6	0	0	0	0	111.5	G18 T19 F20 Y26	G18-V22 WeakPolarHBondContact O-CG2 3.29Å; G18-V22 PolarHBondContact O-N 3.26Å; G18-V22 VanDerWaalsContact O-N 3.11Å; T19-V22 PolarHBondContact O-N 3.14Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 PolarHBondContact O-N 3.13Å; V22-Y26 VanDerWaalsContact O-CB 3.24Å; V22-Y26 WeakPolarHBondContact O-CB 3.28Å; V22-Y26 PolarHBondContact O-N 2.87Å
23	L	47.6	Very low	46.5	Very low	108 Å²	108	93.9 Å²	93.9	57%	0.565	48%	0.482	S	S	*	.	H	α-helix	trans	-64.3	-39.4	177	-97	150.7	0	0	0	112.5	T19 F20 Y26 L27	T19-L23 HydrophobicContact CG2-CD1 4.23Å; T19-L23 WeakPolarHBondContact O-CB 3.39Å; T19-L23 PolarHBondContact O-N 2.95Å; F20-L23 PolarHBondContact O-N 3.35Å; L23-Y26 PolarHBondContact O-N 3.44Å; L23-L27 VanDerWaalsContact O-CB 3.32Å; L23-L27 WeakPolarHBondContact O-CB 3.19Å; L23-L27 PolarHBondContact O-N 3.49Å
24	L	48.4	Very low	46.7	Very low	53 Å²	53	94.4 Å²	94.4	28%	0.277	48%	0.481	S	S	.	.	H	α-helix	trans	-67.6	-46.9	178.1	-167.2	80	0	0	0	110.7	F20 F21 Y26 L27 F28	F20-L24 HydrophobicContact CE1-CD2 4.14Å; F20-L24 HydrophobicContact CE2-CD1 4.2Å; F20-L24 HydrophobicContact CZ-CB 4.37Å; F20-L24 HydrophobicContact CZ-CD1 3.92Å; F20-L24 HydrophobicContact CZ-CD2 4.09Å; F20-L24 HydrophobicContact CZ-CG 4.35Å; F20-L24 VanDerWaalsContact O-CB 3.26Å; F20-L24 WeakPolarHBondContact O-CB 3.45Å; F20-L24 PolarHBondContact O-N 2.91Å; F21-L24 PolarHBondContact O-N 3.37Å; L24-Y26 VanDerWaalsContact C-N 3.29Å; L24-Y26 PolarHBondContact O-N 3.3Å; L24-L27 PolarHBondContact O-N 2.85Å; L24-F28 HydrophobicContact CD1-CD2 4.37Å; L24-F28 HydrophobicContact CD1-CE2 4.15Å; L24-F28 HydrophobicContact CD2-CE2 4.45Å; L24-F28 HydrophobicContact CG-CD2 3.98Å; L24-F28 HydrophobicContact CG-CE2 4.07Å; L24-F28 WeakPolarHBondContact O-CB 3.38Å; L24-F28 WeakPolarHBondContact O-CD2 3.38Å; L24-F28 PolarHBondContact O-N 3.45Å
25	I	50.1	Low	46.8	Very low	105 Å²	105	96.3 Å²	96.3	54%	0.538	49%	0.485	S	S	.	.	H	α-helix	trans	-59.4	-43.6	174.7	-70.1	165.6	0	0	0	109.9	F21 F28 T29	F21-I25 VanDerWaalsContact O-CB 3.32Å; F21-I25 WeakPolarHBondContact O-CB 3.29Å; F21-I25 WeakPolarHBondContact O-CD1 2.95Å; F21-I25 WeakPolarHBondContact O-CG1 3.4Å; F21-I25 PolarHBondContact O-N 3.34Å; I25-F28 PolarHBondContact O-N 2.97Å; I25-T29 WeakPolarHBondContact O-CB 3.49Å; I25-T29 PolarHBondContact O-N 3Å; I25-T29 PolarHBondContact O-OG1 3.01Å
26	Y	47.9	Very low	47	Very low	123 Å²	123	95.4 Å²	95.4	48%	0.482	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-43.4	176.9	-177.3	-100	0	0	0	112.3	V22 L23 L24 T29 R30	V22-Y26 VanDerWaalsContact O-CB 3.24Å; V22-Y26 WeakPolarHBondContact O-CB 3.28Å; V22-Y26 PolarHBondContact O-N 2.87Å; L23-Y26 PolarHBondContact O-N 3.44Å; L24-Y26 VanDerWaalsContact C-N 3.29Å; L24-Y26 PolarHBondContact O-N 3.3Å; Y26-T29 VanDerWaalsContact CA-OG1 3.3Å; Y26-T29 WeakPolarHBondContact CA-OG1 3.31Å; Y26-T29 PolarHBondContact O-N 3.45Å; Y26-T29 PolarHBondContact O-OG1 3Å; Y26-T29 VanDerWaalsContact O-OG1 3.06Å; Y26-R30 VanDerWaalsContact O-CB 3.25Å; Y26-R30 WeakPolarHBondContact O-CB 3.46Å; Y26-R30 PolarHBondContact O-N 3.07Å; Y26-R30 PolarHBondContact OH-NH1 2.82Å; Y26-R30 VanDerWaalsContact OH-NH1 3.12Å
27	L	48.6	Very low	46.9	Very low	82 Å²	82	98.9 Å²	98.9	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-43.2	177.6	-164.8	78.5	0	0	0	111.3	L23 L24 R30 L31	L23-L27 VanDerWaalsContact O-CB 3.32Å; L23-L27 WeakPolarHBondContact O-CB 3.19Å; L23-L27 PolarHBondContact O-N 3.49Å; L24-L27 PolarHBondContact O-N 2.85Å; L27-R30 PolarHBondContact O-N 3.26Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.18Å; L27-L31 PolarHBondContact O-N 3.46Å
28	F	48.6	Very low	46.9	Very low	136 Å²	136	98.9 Å²	98.9	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-41.4	176.2	-94	-77.7	0	0	0	112.3	L24 I25 R30 R32	L24-F28 HydrophobicContact CD1-CD2 4.37Å; L24-F28 HydrophobicContact CD1-CE2 4.15Å; L24-F28 HydrophobicContact CD2-CE2 4.45Å; L24-F28 HydrophobicContact CG-CD2 3.98Å; L24-F28 HydrophobicContact CG-CE2 4.07Å; L24-F28 WeakPolarHBondContact O-CB 3.38Å; L24-F28 WeakPolarHBondContact O-CD2 3.38Å; L24-F28 PolarHBondContact O-N 3.45Å; I25-F28 PolarHBondContact O-N 2.97Å; F28-R30 VanDerWaalsContact C-N 3.33Å; F28-R32 WeakPolarHBondContact O-CB 3.46Å; F28-R32 PolarHBondContact O-N 3.42Å
29	T	49.3	Very low	47	Very low	73 Å²	73	103 Å²	103	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-39.4	174.6	31.7	0	0	0	0	111.3	I25 Y26 R32 T33	I25-T29 WeakPolarHBondContact O-CB 3.49Å; I25-T29 PolarHBondContact O-N 3Å; I25-T29 PolarHBondContact O-OG1 3.01Å; Y26-T29 VanDerWaalsContact CA-OG1 3.3Å; Y26-T29 WeakPolarHBondContact CA-OG1 3.31Å; Y26-T29 PolarHBondContact O-N 3.45Å; Y26-T29 PolarHBondContact O-OG1 3Å; Y26-T29 VanDerWaalsContact O-OG1 3.06Å; T29-R32 PolarHBondContact O-N 3.45Å; T29-T33 WeakPolarHBondContact O-CG2 3.41Å; T29-T33 PolarHBondContact O-N 3.17Å; T29-T33 PolarHBondContact O-OG1 3.39Å
30	R	47	Very low	47	Very low	96 Å²	96	104.8 Å²	104.8	36%	0.362	53%	0.527	S	S	.	.	H	α-helix	trans	-74.8	-35	-179.9	-153.9	174.3	-172.2	178.6	1.9	113.6	Y26 L27 F28 T33 H34	Y26-R30 VanDerWaalsContact O-CB 3.25Å; Y26-R30 WeakPolarHBondContact O-CB 3.46Å; Y26-R30 PolarHBondContact O-N 3.07Å; Y26-R30 PolarHBondContact OH-NH1 2.82Å; Y26-R30 VanDerWaalsContact OH-NH1 3.12Å; L27-R30 PolarHBondContact O-N 3.26Å; F28-R30 VanDerWaalsContact C-N 3.33Å; R30-T33 VanDerWaalsContact CA-OG1 3.3Å; R30-T33 WeakPolarHBondContact CA-OG1 3.31Å; R30-T33 PolarHBondContact O-N 2.68Å; R30-T33 PolarHBondContact O-OG1 2.94Å; R30-H34 WeakPolarHBondContact O-CB 3.3Å; R30-H34 PolarHBondContact O-N 2.91Å
31	L	49.1	Very low	46.8	Very low	90 Å²	90	104.4 Å²	104.4	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-67.6	-41.1	171.5	-171.7	70.8	0	0	0	110.3	L27 H34 L35	L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.18Å; L27-L31 PolarHBondContact O-N 3.46Å; L31-H34 PolarHBondContact O-N 3.37Å; L31-L35 HydrophobicContact CG-CD1 4.06Å; L31-L35 WeakPolarHBondContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.23Å; L31-L35 PolarHBondContact O-N 2.84Å
32	R	47.9	Very low	46.6	Very low	172 Å²	172	106.6 Å²	106.6	65%	0.649	55%	0.55	S	S	*	*	H	α-helix	trans	-62.1	-44.2	173.3	179.5	-179.1	171	-172.5	-2.3	111.6	F28 T29 L35 L36	F28-R32 WeakPolarHBondContact O-CB 3.46Å; F28-R32 PolarHBondContact O-N 3.42Å; T29-R32 PolarHBondContact O-N 3.45Å; R32-L35 PolarHBondContact O-N 2.89Å; R32-L36 HydrophobicContact CG-CD1 3.69Å; R32-L36 HydrophobicContact CG-CG 4.31Å; R32-L36 VanDerWaalsContact O-CB 3.29Å; R32-L36 WeakPolarHBondContact O-CB 3.24Å; R32-L36 VanDerWaalsContact O-CG 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.19Å; R32-L36 PolarHBondContact O-N 3.28Å
33	T	48.5	Very low	46.4	Very low	74 Å²	74	105.4 Å²	105.4	45%	0.454	55%	0.545	S	S	.	.	H	α-helix	trans	-67	-39.2	176.4	50.4	0	0	0	0	111.7	T29 R30 L36 H37	T29-T33 WeakPolarHBondContact O-CG2 3.41Å; T29-T33 PolarHBondContact O-N 3.17Å; T29-T33 PolarHBondContact O-OG1 3.39Å; R30-T33 VanDerWaalsContact CA-OG1 3.3Å; R30-T33 WeakPolarHBondContact CA-OG1 3.31Å; R30-T33 PolarHBondContact O-N 2.68Å; R30-T33 PolarHBondContact O-OG1 2.94Å; T33-L36 PolarHBondContact O-N 2.89Å; T33-H37 WeakPolarHBondContact O-CB 3.35Å; T33-H37 PolarHBondContact O-N 2.93Å
34	H	47.2	Very low	46.2	Very low	110 Å²	110	107 Å²	107	51%	0.509	55%	0.55	S	S	.	.	H	α-helix	trans	-62.3	-45.1	173.3	-106.5	-74.9	0	0	0	112.2	R30 L31 F38	R30-H34 WeakPolarHBondContact O-CB 3.3Å; R30-H34 PolarHBondContact O-N 2.91Å; L31-H34 PolarHBondContact O-N 3.37Å; H34-F38 VanDerWaalsContact O-CB 3.31Å; H34-F38 WeakPolarHBondContact O-CB 3.23Å; H34-F38 WeakPolarHBondContact O-CD2 3.41Å; H34-F38 PolarHBondContact O-N 3.5Å; H34-F38 VanDerWaalsContact O-N 3.12Å
35	L	46	Very low	46.1	Very low	125 Å²	125	110.5 Å²	110.5	65%	0.654	57%	0.568	S	S	*	*	H	α-helix	trans	-65.5	-40.1	177	-76.2	164.6	0	0	0	112.3	L31 R32 F38	L31-L35 HydrophobicContact CG-CD1 4.06Å; L31-L35 WeakPolarHBondContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.23Å; L31-L35 PolarHBondContact O-N 2.84Å; R32-L35 PolarHBondContact O-N 2.89Å; L35-F38 PolarHBondContact O-N 3.45Å
36	L	47.3	Very low	45.7	Very low	117 Å²	117	111 Å²	111	61%	0.613	57%	0.572	S	S	*	*	H	α-helix	trans	-70.6	-37.9	178	-75.8	168.7	0	0	0	112.6	R32 T33 F38	R32-L36 HydrophobicContact CG-CD1 3.69Å; R32-L36 HydrophobicContact CG-CG 4.31Å; R32-L36 VanDerWaalsContact O-CB 3.29Å; R32-L36 WeakPolarHBondContact O-CB 3.24Å; R32-L36 VanDerWaalsContact O-CG 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.19Å; R32-L36 PolarHBondContact O-N 3.28Å; T33-L36 PolarHBondContact O-N 2.89Å; L36-F38 VanDerWaalsContact C-N 3.28Å; L36-F38 PolarHBondContact O-N 2.83Å
37	H	43.8	Very low	45.7	Very low	140 Å²	140	108.4 Å²	108.4	65%	0.648	57%	0.569	S	S	*	*	H	α-helix	trans	-73.5	-19.3	175.7	-104.2	-75.5	0	0	0	113.1	T33 S39 S40	T33-H37 WeakPolarHBondContact O-CB 3.35Å; T33-H37 PolarHBondContact O-N 2.93Å; H37-S39 VanDerWaalsContact C-N 3.34Å; H37-S39 PolarHBondContact O-N 2.81Å; H37-S40 PolarHBondContact O-N 3.44Å; H37-S40 PolarHBondContact O-OG 2.92Å
38	F	44	Very low	45.5	Very low	75 Å²	75	108.4 Å²	108.4	33%	0.329	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-77.7	-9.5	-173	-119.4	-91.4	0	0	0	115.8	H34 L35 L36 S40 S41 C43 I48	H34-F38 VanDerWaalsContact O-CB 3.31Å; H34-F38 WeakPolarHBondContact O-CB 3.23Å; H34-F38 WeakPolarHBondContact O-CD2 3.41Å; H34-F38 PolarHBondContact O-N 3.5Å; H34-F38 VanDerWaalsContact O-N 3.12Å; L35-F38 PolarHBondContact O-N 3.45Å; L36-F38 VanDerWaalsContact C-N 3.28Å; L36-F38 PolarHBondContact O-N 2.83Å; F38-S40 PolarHBondContact O-N 3.43Å; F38-S41 WeakPolarHBondContact CE1-O 3.49Å; F38-C43 HydrophobicContact CE1-CB 3.74Å; F38-C43 HydrophobicContact CZ-CB 3.64Å; F38-I48 HydrophobicContact CE1-CD1 4.47Å
39	S	43	Very low	45.6	Very low	124 Å²	124	105.3 Å²	105.3	87%	0.867	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-60.2	-8.5	168.7	-175.2	0	0	0	0	112.8	H37	H37-S39 VanDerWaalsContact C-N 3.34Å; H37-S39 PolarHBondContact O-N 2.81Å
40	S	45.5	Very low	45.4	Very low	96 Å²	96	109 Å²	109	67%	0.671	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-118.1	0.6	-172.2	67.6	0	0	0	0	116.5	H37 F38	H37-S40 PolarHBondContact O-N 3.44Å; H37-S40 PolarHBondContact O-OG 2.92Å; F38-S40 PolarHBondContact O-N 3.43Å
41	S	39.1	Very low	45.4	Very low	62 Å²	62	107 Å²	107	43%	0.434	56%	0.559	S	S	.	*			trans	-141.5	116.9	-175.8	40.4	0	0	0	0	114.6	F38 C43	F38-S41 WeakPolarHBondContact CE1-O 3.49Å; S41-C43 VanDerWaalsContact C-N 3.29Å; S41-C43 PolarHBondContact O-N 3.19Å
42	N	42	Very low	45.4	Very low	178 Å²	178	105 Å²	105	95%	0.952	55%	0.552	S	S	*	*			trans	-63.8	74.5	176.1	-80.8	-25.3	0	0	0	112.4
43	C	43.2	Very low	45.5	Very low	74 Å²	74	104.7 Å²	104.7	50%	0.5	55%	0.551	S	S	.	*			trans	-105	134.1	168.6	-130.1	0	0	0	0	110.5	F38 S41	F38-C43 HydrophobicContact CE1-CB 3.74Å; F38-C43 HydrophobicContact CZ-CB 3.64Å; S41-C43 VanDerWaalsContact C-N 3.29Å; S41-C43 PolarHBondContact O-N 3.19Å
44	H	44.4	Very low	45.6	Very low	143 Å²	143	102.1 Å²	102.1	66%	0.662	54%	0.538	S	S	*	.			trans	-52.5	130.9	-167.6	-70.2	-89.5	0	0	0	114.3	D46 V47	H44-D46 PolarHBondContact O-N 3.27Å; H44-V47 PolarHBondContact O-N 2.97Å
45	L	45.7	Very low	45.8	Very low	125 Å²	125	98.8 Å²	98.8	65%	0.654	53%	0.525	S	S	*	.	H	α-helix	trans	-48.1	-30.8	176.4	-167.6	71.3	0	0	0	113.1	V47 I48 I49	L45-V47 PolarHBondContact O-N 2.96Å; L45-I48 PolarHBondContact O-N 3.35Å; L45-I49 HydrophobicContact CG-CD1 4.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; L45-I49 PolarHBondContact O-N 3.47Å
46	D	41.5	Very low	46.3	Very low	117 Å²	117	97.7 Å²	97.7	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-36.1	178.4	-61.2	-39.2	0	0	0	113.5	H44 I48 I49 Y50	H44-D46 PolarHBondContact O-N 3.27Å; D46-I48 VanDerWaalsContact C-N 3.33Å; D46-I49 PolarHBondContact O-N 3.48Å; D46-Y50 WeakPolarHBondContact O-CB 3.24Å; D46-Y50 PolarHBondContact O-N 3.48Å
47	V	47.7	Very low	46.4	Very low	68 Å²	68	97 Å²	97	41%	0.412	51%	0.514	S	S	.	.	H	α-helix	trans	-68.6	-37.1	177.7	-179.5	0	0	0	0	110	H44 L45 Y50 Q51	H44-V47 PolarHBondContact O-N 2.97Å; L45-V47 PolarHBondContact O-N 2.96Å; V47-Y50 PolarHBondContact O-N 3.35Å; V47-Q51 HydrophobicContact CG1-CG 4.24Å; V47-Q51 VanDerWaalsContact O-CB 3.23Å; V47-Q51 WeakPolarHBondContact O-CB 3.32Å; V47-Q51 VanDerWaalsContact O-CG 3.25Å; V47-Q51 WeakPolarHBondContact O-CG 3.47Å; V47-Q51 PolarHBondContact O-N 3.48Å
48	I	44.7	Very low	46.8	Very low	81 Å²	81	91.8 Å²	91.8	42%	0.415	49%	0.49	S	S	.	.	H	α-helix	trans	-69.6	-43.1	176.6	-61.6	175.9	0	0	0	110.8	F38 L45 D46 Y50 Q51 S52	F38-I48 HydrophobicContact CE1-CD1 4.47Å; L45-I48 PolarHBondContact O-N 3.35Å; D46-I48 VanDerWaalsContact C-N 3.33Å; I48-Y50 VanDerWaalsContact C-N 3.29Å; I48-Y50 PolarHBondContact O-N 3.38Å; I48-Q51 PolarHBondContact O-N 3.41Å; I48-S52 WeakPolarHBondContact O-CB 3.16Å; I48-S52 PolarHBondContact O-N 3.34Å; I48-S52 PolarHBondContact O-OG 3.14Å
49	I	49.8	Very low	47.3	Very low	71 Å²	71	92.4 Å²	92.4	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-40	175.9	-66.4	170.2	0	0	0	110.4	L45 D46 S52 R53	L45-I49 HydrophobicContact CG-CD1 4.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; L45-I49 PolarHBondContact O-N 3.47Å; D46-I49 PolarHBondContact O-N 3.48Å; I49-S52 WeakPolarHBondContact CA-OG 3.35Å; I49-S52 PolarHBondContact O-OG 3.34Å; I49-S52 VanDerWaalsContact O-OG 3.07Å; I49-R53 WeakPolarHBondContact O-CB 3.35Å; I49-R53 WeakPolarHBondContact O-CG 3.11Å; I49-R53 PolarHBondContact O-N 3.05Å; I49-R53 VanDerWaalsContact O-N 3.17Å
50	Y	47.1	Very low	47.8	Very low	151 Å²	151	91 Å²	91	59%	0.592	48%	0.482	S	S	*	.	H	α-helix	trans	-71.8	-44.4	179	-163.2	-93.5	0	0	0	112.5	D46 V47 I48 R53 A54 V109	D46-Y50 WeakPolarHBondContact O-CB 3.24Å; D46-Y50 PolarHBondContact O-N 3.48Å; V47-Y50 PolarHBondContact O-N 3.35Å; I48-Y50 VanDerWaalsContact C-N 3.29Å; I48-Y50 PolarHBondContact O-N 3.38Å; Y50-R53 PolarHBondContact O-N 3.42Å; Y50-A54 PolarHBondContact O-N 3.06Å; Y50-A54 VanDerWaalsContact O-N 3.08Å; Y50-V109 HydrophobicContact CD1-CG1 3.58Å; Y50-V109 HydrophobicContact CD1-CG2 4.42Å; Y50-V109 HydrophobicContact CE1-CB 4.45Å; Y50-V109 HydrophobicContact CE1-CG1 3.75Å; Y50-V109 HydrophobicContact CE1-CG2 3.73Å
51	Q	46.6	Very low	48.2	Very low	54 Å²	54	87.4 Å²	87.4	25%	0.252	46%	0.456	S	S	.	.	H	α-helix	trans	-66.9	-42.1	177.7	-76.5	179.8	-10.2	0	0	112.2	V47 I48 R53 A54 V55 V109 L110	V47-Q51 HydrophobicContact CG1-CG 4.24Å; V47-Q51 VanDerWaalsContact O-CB 3.23Å; V47-Q51 WeakPolarHBondContact O-CB 3.32Å; V47-Q51 VanDerWaalsContact O-CG 3.25Å; V47-Q51 WeakPolarHBondContact O-CG 3.47Å; V47-Q51 PolarHBondContact O-N 3.48Å; I48-Q51 PolarHBondContact O-N 3.41Å; Q51-R53 PolarHBondContact O-N 2.82Å; Q51-A54 PolarHBondContact O-N 2.87Å; Q51-V55 VanDerWaalsContact O-CG2 3.31Å; Q51-V55 WeakPolarHBondContact O-CG2 3.08Å; Q51-V55 PolarHBondContact O-N 3.25Å; Q51-V109 HydrophobicContact CG-CG1 3.9Å; Q51-V109 PolarHBondContact NE2-O 3.49Å; Q51-V109 VanDerWaalsContact NE2-O 3.09Å; Q51-L110 HydrophobicContact CG-CD2 4.39Å
52	S	49.3	Very low	48.8	Very low	49 Å²	49	86 Å²	86	34%	0.343	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-41.2	176.4	57.4	0	0	0	0	111.9	I48 I49 V55 I56	I48-S52 WeakPolarHBondContact O-CB 3.16Å; I48-S52 PolarHBondContact O-N 3.34Å; I48-S52 PolarHBondContact O-OG 3.14Å; I49-S52 WeakPolarHBondContact CA-OG 3.35Å; I49-S52 PolarHBondContact O-OG 3.34Å; I49-S52 VanDerWaalsContact O-OG 3.07Å; S52-V55 PolarHBondContact O-N 2.85Å; S52-I56 WeakPolarHBondContact O-CB 3.22Å; S52-I56 WeakPolarHBondContact O-CD1 3.2Å; S52-I56 WeakPolarHBondContact O-CG1 3.36Å; S52-I56 PolarHBondContact O-N 2.94Å
53	R	50.1	Low	49.4	Very low	164 Å²	164	82.3 Å²	82.3	62%	0.619	43%	0.426	S	S	*	.	H	α-helix	trans	-59.9	-45.3	172.5	-75.9	174.5	-178.1	-174	2.8	112.1	I49 Y50 Q51 I56 I57	I49-R53 WeakPolarHBondContact O-CB 3.35Å; I49-R53 WeakPolarHBondContact O-CG 3.11Å; I49-R53 PolarHBondContact O-N 3.05Å; I49-R53 VanDerWaalsContact O-N 3.17Å; Y50-R53 PolarHBondContact O-N 3.42Å; Q51-R53 PolarHBondContact O-N 2.82Å; R53-I56 PolarHBondContact O-N 3.09Å; R53-I57 WeakPolarHBondContact O-CB 3.16Å; R53-I57 WeakPolarHBondContact O-CD1 3.36Å; R53-I57 WeakPolarHBondContact O-CG1 3.37Å; R53-I57 PolarHBondContact O-N 3.11Å
54	A	49.9	Very low	49.7	Very low	21 Å²	21	85.2 Å²	85.2	17%	0.174	43%	0.428	C	S	.	.	H	α-helix	trans	-63.3	-42	178.6	0	0	0	0	0	112.3	Y50 Q51 I57 F58 L106	Y50-A54 PolarHBondContact O-N 3.06Å; Y50-A54 VanDerWaalsContact O-N 3.08Å; Q51-A54 PolarHBondContact O-N 2.87Å; A54-I57 PolarHBondContact O-N 3.04Å; A54-F58 WeakPolarHBondContact O-CB 3.47Å; A54-F58 PolarHBondContact O-N 3.5Å; A54-L106 HydrophobicContact CB-CD1 3.82Å
55	V	52	Low	50.1	Low	39 Å²	39	80.2 Å²	80.2	24%	0.236	40%	0.404	C	S	.	.	H	α-helix	trans	-65.9	-42.4	176.1	173.8	0	0	0	0	111.4	Q51 S52 F58 L59 L106	Q51-V55 VanDerWaalsContact O-CG2 3.31Å; Q51-V55 WeakPolarHBondContact O-CG2 3.08Å; Q51-V55 PolarHBondContact O-N 3.25Å; S52-V55 PolarHBondContact O-N 2.85Å; V55-F58 PolarHBondContact O-N 3.38Å; V55-L59 HydrophobicContact CG1-CD1 4.04Å; V55-L59 WeakPolarHBondContact O-CB 3.25Å; V55-L59 PolarHBondContact O-N 3.32Å; V55-L106 HydrophobicContact CG2-CD1 3.76Å
56	I	54.9	Low	50.4	Low	103 Å²	103	77.4 Å²	77.4	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-45.3	176.8	-69.4	165	0	0	0	110.5	S52 R53 F58 L59 V60	S52-I56 WeakPolarHBondContact O-CB 3.22Å; S52-I56 WeakPolarHBondContact O-CD1 3.2Å; S52-I56 WeakPolarHBondContact O-CG1 3.36Å; S52-I56 PolarHBondContact O-N 2.94Å; R53-I56 PolarHBondContact O-N 3.09Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 2.85Å; I56-L59 PolarHBondContact O-N 3.33Å; I56-V60 HydrophobicContact CG2-CG2 4.37Å; I56-V60 VanDerWaalsContact O-CG2 3.3Å; I56-V60 WeakPolarHBondContact O-CG2 3.24Å; I56-V60 PolarHBondContact O-N 2.88Å
57	I	51.1	Low	50.6	Low	102 Å²	102	73.1 Å²	73.1	52%	0.523	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-44.1	176.5	-68.7	164	0	0	0	110.4	R53 A54 V60 V61	R53-I57 WeakPolarHBondContact O-CB 3.16Å; R53-I57 WeakPolarHBondContact O-CD1 3.36Å; R53-I57 WeakPolarHBondContact O-CG1 3.37Å; R53-I57 PolarHBondContact O-N 3.11Å; A54-I57 PolarHBondContact O-N 3.04Å; I57-V60 PolarHBondContact O-N 2.98Å; I57-V61 HydrophobicContact CG2-CG2 4.34Å; I57-V61 WeakPolarHBondContact O-CB 3.35Å; I57-V61 VanDerWaalsContact O-CG2 3.29Å; I57-V61 WeakPolarHBondContact O-CG2 3.37Å; I57-V61 PolarHBondContact O-N 2.75Å
58	F	52.1	Low	50.7	Low	31 Å²	31	71.3 Å²	71.3	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-47.9	175.8	175.8	-96.5	0	0	0	112.1	A54 V55 I56 V60 V61 F62 F99 A102 L103 L106	A54-F58 WeakPolarHBondContact O-CB 3.47Å; A54-F58 PolarHBondContact O-N 3.5Å; V55-F58 PolarHBondContact O-N 3.38Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 2.85Å; F58-V60 VanDerWaalsContact C-N 3.35Å; F58-V60 PolarHBondContact O-N 3.44Å; F58-V61 PolarHBondContact O-N 2.8Å; F58-F62 VanDerWaalsContact O-CB 3.24Å; F58-F62 WeakPolarHBondContact O-CB 3.49Å; F58-F62 PolarHBondContact O-N 3.23Å; F58-F99 HydrophobicContact CD2-CE2 4.18Å; F58-F99 HydrophobicContact CE2-CD2 4.03Å; F58-F99 AromaticContact CE2-CE2 3.29Å; F58-F99 HydrophobicContact CE2-CE2 3.29Å; F58-F99 AromaticContact CE2-CZ 3.85Å; F58-F99 HydrophobicContact CE2-CZ 3.85Å; F58-F99 AromaticContact CZ-CE2 3.65Å; F58-F99 HydrophobicContact CZ-CE2 3.65Å; F58-F99 AromaticContact CZ-CZ 3.98Å; F58-F99 HydrophobicContact CZ-CZ 3.98Å; F58-A102 HydrophobicContact CD2-CB 4.21Å; F58-L103 HydrophobicContact CE2-CD1 4.21Å; F58-L103 HydrophobicContact CE2-CG 3.88Å; F58-L106 HydrophobicContact CB-CD2 4.34Å; F58-L106 HydrophobicContact CD1-CD2 4.35Å; F58-L106 HydrophobicContact CD2-CD2 4.4Å; F58-L106 HydrophobicContact CG-CD2 4.1Å
59	L	53.5	Low	50.8	Low	88 Å²	88	70.9 Å²	70.9	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-41.8	176.9	-82.8	164.2	0	0	0	111.8	V55 I56 F62 V63	V55-L59 HydrophobicContact CG1-CD1 4.04Å; V55-L59 WeakPolarHBondContact O-CB 3.25Å; V55-L59 PolarHBondContact O-N 3.32Å; I56-L59 PolarHBondContact O-N 3.33Å; L59-F62 PolarHBondContact O-N 2.84Å; L59-V63 WeakPolarHBondContact O-CB 3.01Å; L59-V63 VanDerWaalsContact O-CG2 3.24Å; L59-V63 WeakPolarHBondContact O-CG2 3.44Å; L59-V63 PolarHBondContact O-N 3.41Å
60	V	54.7	Low	50.5	Low	94 Å²	94	71.9 Å²	71.9	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-64.9	-46.9	177	171.7	0	0	0	0	111.4	I56 I57 F58 F62 Y64	I56-V60 HydrophobicContact CG2-CG2 4.37Å; I56-V60 VanDerWaalsContact O-CG2 3.3Å; I56-V60 WeakPolarHBondContact O-CG2 3.24Å; I56-V60 PolarHBondContact O-N 2.88Å; I57-V60 PolarHBondContact O-N 2.98Å; F58-V60 VanDerWaalsContact C-N 3.35Å; F58-V60 PolarHBondContact O-N 3.44Å; V60-F62 VanDerWaalsContact C-N 3.3Å; V60-F62 PolarHBondContact O-N 3.37Å; V60-Y64 VanDerWaalsContact O-CB 3.28Å; V60-Y64 WeakPolarHBondContact O-CB 3.13Å; V60-Y64 PolarHBondContact O-N 2.79Å
61	V	52.3	Low	50.1	Low	21 Å²	21	70.2 Å²	70.2	13%	0.127	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-37.7	177.7	173.3	0	0	0	0	110.8	I57 F58 F65 L98 F99	I57-V61 HydrophobicContact CG2-CG2 4.34Å; I57-V61 WeakPolarHBondContact O-CB 3.35Å; I57-V61 VanDerWaalsContact O-CG2 3.29Å; I57-V61 WeakPolarHBondContact O-CG2 3.37Å; I57-V61 PolarHBondContact O-N 2.75Å; F58-V61 PolarHBondContact O-N 2.8Å; V61-F65 WeakPolarHBondContact O-CB 3.37Å; V61-F65 PolarHBondContact O-N 3.38Å; V61-L98 HydrophobicContact CG2-CD2 4.23Å; V61-F99 HydrophobicContact CG1-CB 4.4Å; V61-F99 HydrophobicContact CG1-CD2 4.41Å
62	F	52.9	Low	49.9	Very low	31 Å²	31	71.6 Å²	71.6	14%	0.136	38%	0.383	C	S	.	.	H	α-helix	trans	-74.3	-42.7	179.5	-173.2	-104.3	0	0	0	113	F20 F58 L59 V60 Y64 F65 I66 F99	F20-F62 AromaticContact CD2-CE1 3.96Å; F20-F62 HydrophobicContact CD2-CE1 3.96Å; F20-F62 AromaticContact CD2-CZ 3.59Å; F20-F62 HydrophobicContact CD2-CZ 3.59Å; F20-F62 HydrophobicContact CE2-CD1 4.22Å; F20-F62 AromaticContact CE2-CE1 3.15Å; F20-F62 HydrophobicContact CE2-CE1 3.15Å; F20-F62 HydrophobicContact CE2-CE2 4.47Å; F20-F62 AromaticContact CE2-CZ 3.3Å; F20-F62 HydrophobicContact CE2-CZ 3.3Å; F20-F62 AromaticContact CZ-CE1 3.58Å; F20-F62 HydrophobicContact CZ-CE1 3.58Å; F20-F62 HydrophobicContact CZ-CZ 4.07Å; F58-F62 VanDerWaalsContact O-CB 3.24Å; F58-F62 WeakPolarHBondContact O-CB 3.49Å; F58-F62 PolarHBondContact O-N 3.23Å; L59-F62 PolarHBondContact O-N 2.84Å; V60-F62 VanDerWaalsContact C-N 3.3Å; V60-F62 PolarHBondContact O-N 3.37Å; F62-Y64 VanDerWaalsContact C-N 3.26Å; F62-Y64 PolarHBondContact O-N 3.41Å; F62-F65 WeakPolarHBondContact O-CB 3.41Å; F62-F65 PolarHBondContact O-N 2.6Å; F62-F65 VanDerWaalsContact O-N 3.16Å; F62-I66 HydrophobicContact CD1-CG1 4.11Å; F62-I66 HydrophobicContact CE1-CD1 4.17Å; F62-I66 HydrophobicContact CE1-CG1 3.61Å; F62-I66 HydrophobicContact CE2-CD1 4.42Å; F62-I66 HydrophobicContact CE2-CG1 4.24Å; F62-I66 HydrophobicContact CZ-CD1 3.84Å; F62-I66 HydrophobicContact CZ-CG1 3.71Å; F62-I66 WeakPolarHBondContact O-CG1 3.28Å; F62-I66 PolarHBondContact O-N 2.98Å; F62-F99 HydrophobicContact CB-CE2 4.05Å; F62-F99 HydrophobicContact CD2-CD2 4.19Å; F62-F99 AromaticContact CD2-CE2 3.32Å; F62-F99 HydrophobicContact CD2-CE2 3.32Å; F62-F99 AromaticContact CD2-CZ 3.62Å; F62-F99 HydrophobicContact CD2-CZ 3.62Å; F62-F99 HydrophobicContact CE2-CE2 4.16Å; F62-F99 AromaticContact CE2-CZ 3.99Å; F62-F99 HydrophobicContact CE2-CZ 3.99Å; F62-F99 HydrophobicContact CG-CE2 4.08Å
63	V	53.2	Low	49.6	Very low	102 Å²	102	74.5 Å²	74.5	62%	0.618	39%	0.394	S	S	*	.	H	α-helix	trans	-61.8	-38.4	172.4	169.9	0	0	0	0	110.2	L59 G67	L59-V63 WeakPolarHBondContact O-CB 3.01Å; L59-V63 VanDerWaalsContact O-CG2 3.24Å; L59-V63 WeakPolarHBondContact O-CG2 3.44Å; L59-V63 PolarHBondContact O-N 3.41Å; V63-G67 PolarHBondContact O-N 2.91Å
64	Y	51	Low	48.8	Very low	135 Å²	135	74 Å²	74	53%	0.529	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-43.9	172.2	-174.1	-97.2	0	0	0	112	V60 F62 G67 V68 T95	V60-Y64 VanDerWaalsContact O-CB 3.28Å; V60-Y64 WeakPolarHBondContact O-CB 3.13Å; V60-Y64 PolarHBondContact O-N 2.79Å; F62-Y64 VanDerWaalsContact C-N 3.26Å; F62-Y64 PolarHBondContact O-N 3.41Å; Y64-G67 PolarHBondContact O-N 3.26Å; Y64-V68 HydrophobicContact CD1-CG2 4.12Å; Y64-V68 HydrophobicContact CE1-CG2 3.78Å; Y64-V68 VanDerWaalsContact O-CG2 3.31Å; Y64-V68 WeakPolarHBondContact O-CG2 3.33Å; Y64-V68 PolarHBondContact O-N 2.85Å; Y64-T95 HydrophobicContact CD1-CG2 3.83Å; Y64-T95 HydrophobicContact CE1-CG2 3.76Å
65	F	53	Low	48	Very low	37 Å²	37	78.4 Å²	78.4	16%	0.162	42%	0.424	C	S	.	.	H	α-helix	trans	-61.7	-47.7	176.2	179.3	-98.2	0	0	0	112	V61 F62 G67 V68 L69 L96	V61-F65 WeakPolarHBondContact O-CB 3.37Å; V61-F65 PolarHBondContact O-N 3.38Å; F62-F65 WeakPolarHBondContact O-CB 3.41Å; F62-F65 PolarHBondContact O-N 2.6Å; F62-F65 VanDerWaalsContact O-N 3.16Å; F65-G67 VanDerWaalsContact C-N 3.34Å; F65-G67 PolarHBondContact O-N 2.67Å; F65-V68 PolarHBondContact O-N 2.98Å; F65-L69 WeakPolarHBondContact O-CB 3.2Å; F65-L69 PolarHBondContact O-N 3.24Å; F65-L96 HydrophobicContact CE2-CD1 4.38Å
66	I	50.3	Low	47.4	Very low	66 Å²	66	86.3 Å²	86.3	34%	0.338	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-43.9	174.4	-69.8	-70.4	0	0	0	110.1	F62 V68 L69 T70	F62-I66 HydrophobicContact CD1-CG1 4.11Å; F62-I66 HydrophobicContact CE1-CD1 4.17Å; F62-I66 HydrophobicContact CE1-CG1 3.61Å; F62-I66 HydrophobicContact CE2-CD1 4.42Å; F62-I66 HydrophobicContact CE2-CG1 4.24Å; F62-I66 HydrophobicContact CZ-CD1 3.84Å; F62-I66 HydrophobicContact CZ-CG1 3.71Å; F62-I66 WeakPolarHBondContact O-CG1 3.28Å; F62-I66 PolarHBondContact O-N 2.98Å; I66-V68 VanDerWaalsContact C-N 3.35Å; I66-V68 PolarHBondContact O-N 3.47Å; I66-L69 CarbonylContact O-C 3.54Å; I66-L69 WeakPolarHBondContact O-CA 3.08Å; I66-L69 WeakPolarHBondContact O-CB 3.45Å; I66-L69 PolarHBondContact O-N 3.08Å; I66-T70 PolarHBondContact O-N 3.27Å; I66-T70 PolarHBondContact O-OG1 2.86Å
67	G	47.1	Very low	46.6	Very low	27 Å²	27	87.3 Å²	87.3	28%	0.278	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-40.8	176.1	0	0	0	0	0	112.8	V63 Y64 F65 L69 C71	V63-G67 PolarHBondContact O-N 2.91Å; Y64-G67 PolarHBondContact O-N 3.26Å; F65-G67 VanDerWaalsContact C-N 3.34Å; F65-G67 PolarHBondContact O-N 2.67Å; G67-L69 VanDerWaalsContact C-N 3.29Å; G67-L69 PolarHBondContact O-N 2.71Å; G67-C71 VanDerWaalsContact O-CB 3.23Å; G67-C71 WeakPolarHBondContact O-CB 3.34Å; G67-C71 PolarHBondContact O-N 3.43Å
68	V	49.9	Very low	45.8	Very low	31 Å²	31	84.7 Å²	84.7	19%	0.188	45%	0.447	C	S	.	.	H	α-helix	trans	-64.4	-34.5	173.2	169.8	0	0	0	0	111.6	Y64 F65 I66 K72 L92	Y64-V68 HydrophobicContact CD1-CG2 4.12Å; Y64-V68 HydrophobicContact CE1-CG2 3.78Å; Y64-V68 VanDerWaalsContact O-CG2 3.31Å; Y64-V68 WeakPolarHBondContact O-CG2 3.33Å; Y64-V68 PolarHBondContact O-N 2.85Å; F65-V68 PolarHBondContact O-N 2.98Å; I66-V68 VanDerWaalsContact C-N 3.35Å; I66-V68 PolarHBondContact O-N 3.47Å; V68-K72 WeakPolarHBondContact O-CB 3.38Å; V68-L92 HydrophobicContact CG1-CD1 4.19Å
69	L	46.7	Very low	45.3	Very low	72 Å²	72	88 Å²	88	38%	0.377	47%	0.47	S	S	.	.	H	α-helix	trans	-76.4	-46.6	177.9	-146.5	72.7	0	0	0	111.6	F65 I66 G67 I73	F65-L69 WeakPolarHBondContact O-CB 3.2Å; F65-L69 PolarHBondContact O-N 3.24Å; I66-L69 CarbonylContact O-C 3.54Å; I66-L69 WeakPolarHBondContact O-CA 3.08Å; I66-L69 WeakPolarHBondContact O-CB 3.45Å; I66-L69 PolarHBondContact O-N 3.08Å; G67-L69 VanDerWaalsContact C-N 3.29Å; G67-L69 PolarHBondContact O-N 2.71Å; L69-I73 HydrophobicContact CD1-CD1 4.43Å; L69-I73 HydrophobicContact CG-CD1 3.81Å; L69-I73 WeakPolarHBondContact O-CB 3.18Å; L69-I73 VanDerWaalsContact O-CD1 3.25Å; L69-I73 WeakPolarHBondContact O-CD1 3.37Å; L69-I73 WeakPolarHBondContact O-CG1 3.1Å; L69-I73 PolarHBondContact O-N 3.4Å
70	T	42.7	Very low	44.6	Very low	92 Å²	92	91.3 Å²	91.3	56%	0.564	48%	0.483	S	S	*	.	H	α-helix	trans	-78.5	-41.5	-175.5	30.3	0	0	0	0	113.9	I66 K72	I66-T70 PolarHBondContact O-N 3.27Å; I66-T70 PolarHBondContact O-OG1 2.86Å; T70-K72 PolarHBondContact O-N 3.3Å
71	C	39.8	Very low	43.7	Very low	116 Å²	116	89.7 Å²	89.7	78%	0.784	47%	0.473	S	S	*	.	H	α-helix	trans	-65.9	-8.3	176.7	-80.9	0	0	0	0	113.5	G67	G67-C71 VanDerWaalsContact O-CB 3.23Å; G67-C71 WeakPolarHBondContact O-CB 3.34Å; G67-C71 PolarHBondContact O-N 3.43Å
72	K	41.5	Very low	42.9	Very low	82 Å²	82	91 Å²	91	36%	0.357	48%	0.478	S	S	.	.	H	α-helix	trans	-125	-7	-169.9	-82	-175.6	179.7	178.1	0	114.8	V68 T70 L78 M82	V68-K72 WeakPolarHBondContact O-CB 3.38Å; T70-K72 PolarHBondContact O-N 3.3Å; K72-L78 HydrophobicContact CB-CD2 3.31Å; K72-L78 HydrophobicContact CD-CD2 3.93Å; K72-L78 HydrophobicContact CG-CD2 3.6Å; K72-L78 WeakPolarHBondContact O-CB 3.48Å; K72-L78 WeakPolarHBondContact O-CD2 3.49Å; K72-M82 HydrophobicContact CD-SD 4.45Å
73	I	42.2	Very low	42.5	Very low	110 Å²	110	95.7 Å²	95.7	56%	0.564	50%	0.504	S	S	*	.	H	α-helix	trans	-88.2	-14	176.7	-74.7	170.4	0	0	0	112.6	L69 D75	L69-I73 HydrophobicContact CD1-CD1 4.43Å; L69-I73 HydrophobicContact CG-CD1 3.81Å; L69-I73 WeakPolarHBondContact O-CB 3.18Å; L69-I73 VanDerWaalsContact O-CD1 3.25Å; L69-I73 WeakPolarHBondContact O-CD1 3.37Å; L69-I73 WeakPolarHBondContact O-CG1 3.1Å; L69-I73 PolarHBondContact O-N 3.4Å; I73-D75 PolarHBondContact O-N 3.32Å
74	N	34.8	Very low	41.9	Very low	155 Å²	155	101.8 Å²	101.8	83%	0.829	52%	0.516	S	S	*	.	S	Bend	trans	-74.4	10.1	-175.8	-110.4	12.4	0	0	0	116.5
75	D	33	Very low	41.3	Very low	112 Å²	112	99.1 Å²	99.1	60%	0.599	51%	0.511	S	S	*	.	S	Bend	trans	-135.9	124	165.4	-106.2	-36.3	0	0	0	111.5	I73 I77 L78	I73-D75 PolarHBondContact O-N 3.32Å; D75-I77 PolarHBondContact O-N 2.91Å; D75-L78 PolarHBondContact O-N 3.25Å
76	K	38.9	Very low	40.9	Very low	206 Å²	206	104.8 Å²	104.8	90%	0.896	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-18.5	176.9	-79.5	177	176.4	171.4	0	113.6
77	I	37.9	Very low	40.4	Very low	124 Å²	124	111.9 Å²	111.9	64%	0.636	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-22.3	179.2	-62.6	173.9	0	0	0	111.3	D75 T81	D75-I77 PolarHBondContact O-N 2.91Å; I77-T81 PolarHBondContact O-N 3.49Å; I77-T81 PolarHBondContact O-OG1 3.23Å
78	L	33.2	Very low	40.1	Very low	46 Å²	46	113.7 Å²	113.7	24%	0.241	56%	0.559	C	S	.	*	H	α-helix	trans	-76.7	-36.3	-170.4	-150.9	89.7	0	0	0	114.2	K72 D75 H80 T81 M82	K72-L78 HydrophobicContact CB-CD2 3.31Å; K72-L78 HydrophobicContact CD-CD2 3.93Å; K72-L78 HydrophobicContact CG-CD2 3.6Å; K72-L78 WeakPolarHBondContact O-CB 3.48Å; K72-L78 WeakPolarHBondContact O-CD2 3.49Å; D75-L78 PolarHBondContact O-N 3.25Å; L78-H80 PolarHBondContact O-N 3.5Å; L78-T81 CarbonylContact O-C 3.48Å; L78-T81 PolarHBondContact O-N 2.92Å; L78-M82 HydrophobicContact CD2-CE 4.14Å; L78-M82 HydrophobicContact CD2-CG 3.89Å; L78-M82 HydrophobicContact CD2-SD 3.95Å; L78-M82 HydrophobicContact CG-CE 4.47Å; L78-M82 HydrophobicContact CG-CG 3.98Å; L78-M82 WeakPolarHBondContact O-CB 3.46Å; L78-M82 WeakPolarHBondContact O-CG 3.37Å; L78-M82 PolarHBondContact O-N 3.31Å
79	V	43	Very low	40	Very low	102 Å²	102	115.5 Å²	115.5	62%	0.618	57%	0.568	S	S	*	*	H	α-helix	trans	-57.6	-39.2	177.6	177	0	0	0	0	111	L83	V79-L83 PolarHBondContact O-N 3.06Å
80	H	39	Very low	40	Very low	156 Å²	156	115.7 Å²	115.7	72%	0.722	57%	0.569	S	S	*	*	H	α-helix	trans	-74.6	-32.1	177.7	-147.2	27.6	0	0	0	112.6	L78	L78-H80 PolarHBondContact O-N 3.5Å
81	T	36.1	Very low	40.3	Very low	61 Å²	61	114.6 Å²	114.6	37%	0.374	56%	0.562	S	S	.	*	H	α-helix	trans	-75.3	-34	176.3	-43.8	0	0	0	0	112.2	I77 L78 L83 R84 N85	I77-T81 PolarHBondContact O-N 3.49Å; I77-T81 PolarHBondContact O-OG1 3.23Å; L78-T81 CarbonylContact O-C 3.48Å; L78-T81 PolarHBondContact O-N 2.92Å; T81-L83 PolarHBondContact O-N 3.49Å; T81-R84 PolarHBondContact O-N 3.45Å; T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 VanDerWaalsContact O-N 3.14Å
82	M	34.3	Very low	40.7	Very low	47 Å²	47	112.4 Å²	112.4	23%	0.232	54%	0.542	C	S	.	.	H	α-helix	trans	-62	-42	177.5	-71.4	-87.1	85	0	0	111.7	K72 L78 R84 N85 Q88	K72-M82 HydrophobicContact CD-SD 4.45Å; L78-M82 HydrophobicContact CD2-CE 4.14Å; L78-M82 HydrophobicContact CD2-CG 3.89Å; L78-M82 HydrophobicContact CD2-SD 3.95Å; L78-M82 HydrophobicContact CG-CE 4.47Å; L78-M82 HydrophobicContact CG-CG 3.98Å; L78-M82 WeakPolarHBondContact O-CB 3.46Å; L78-M82 WeakPolarHBondContact O-CG 3.37Å; L78-M82 PolarHBondContact O-N 3.31Å; M82-R84 PolarHBondContact O-N 3.43Å; M82-N85 PolarHBondContact O-N 2.9Å; M82-Q88 HydrophobicContact CE-CB 3.61Å; M82-Q88 HydrophobicContact CE-CG 4.02Å
83	L	44.7	Very low	41.1	Very low	130 Å²	130	113.3 Å²	113.3	68%	0.681	55%	0.546	S	S	*	.	H	α-helix	trans	-63.9	-25.5	174.7	-78.7	162.7	0	0	0	112.7	V79 T81	V79-L83 PolarHBondContact O-N 3.06Å; T81-L83 PolarHBondContact O-N 3.49Å
84	R	40.7	Very low	41.4	Very low	231 Å²	231	114.8 Å²	114.8	87%	0.872	55%	0.546	S	S	*	.	H	α-helix	trans	-88	-26.2	-178	-141.7	176.3	-176.7	-177.5	0.6	113	T81 M82 K86	T81-R84 PolarHBondContact O-N 3.45Å; M82-R84 PolarHBondContact O-N 3.43Å; R84-K86 PolarHBondContact O-N 3.23Å
85	N	39.1	Very low	42	Very low	78 Å²	78	108.2 Å²	108.2	42%	0.417	51%	0.511	S	S	.	.			trans	-100.1	88	-172.4	-142.6	-11.5	0	0	0	111.9	T81 M82 R87 Q88 L89	T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 VanDerWaalsContact O-N 3.14Å; M82-N85 PolarHBondContact O-N 2.9Å; N85-R87 PolarHBondContact O-N 2.85Å; N85-Q88 HydrophobicContact CB-CB 4.45Å; N85-Q88 HydrophobicContact CB-CG 4.35Å; N85-Q88 PolarHBondContact ND2-OE1 2.76Å; N85-Q88 PolarHBondContact O-N 3.41Å; N85-L89 PolarHBondContact O-N 2.84Å
86	K	43.2	Very low	42.8	Very low	157 Å²	157	107 Å²	107	68%	0.683	50%	0.504	S	S	*	.	H	α-helix	trans	-46.7	-33.3	-176	-151.4	176.6	-172.1	179.4	0	114.6	R84 N90	R84-K86 PolarHBondContact O-N 3.23Å; K86-N90 PolarHBondContact O-N 2.68Å
87	R	41.1	Very low	43.2	Very low	214 Å²	214	100 Å²	100	81%	0.808	48%	0.476	S	S	*	.	H	α-helix	trans	-69.3	-38.3	179	-136.1	177.7	-171.4	172.5	1.6	112.1	N85 T91	N85-R87 PolarHBondContact O-N 2.85Å; R87-T91 PolarHBondContact O-N 3.34Å; R87-T91 PolarHBondContact O-OG1 3.24Å
88	Q	41.3	Very low	43.7	Very low	66 Å²	66	99 Å²	99	31%	0.308	47%	0.471	S	S	.	.	H	α-helix	trans	-77.4	-35.5	-176.3	-66.5	176.5	-33.3	0	0	112.1	M82 N85 T91 L92	M82-Q88 HydrophobicContact CE-CB 3.61Å; M82-Q88 HydrophobicContact CE-CG 4.02Å; N85-Q88 HydrophobicContact CB-CB 4.45Å; N85-Q88 HydrophobicContact CB-CG 4.35Å; N85-Q88 PolarHBondContact ND2-OE1 2.76Å; N85-Q88 PolarHBondContact O-N 3.41Å; Q88-T91 PolarHBondContact O-N 2.81Å; Q88-L92 PolarHBondContact O-N 2.92Å; Q88-L92 VanDerWaalsContact O-N 3.13Å
89	L	47	Very low	44.4	Very low	69 Å²	69	98.3 Å²	98.3	36%	0.361	47%	0.467	S	S	.	.	H	α-helix	trans	-65.7	-40.8	172.8	-170.4	71.2	0	0	0	111.6	N85 T91 L92 F93	N85-L89 PolarHBondContact O-N 2.84Å; L89-T91 VanDerWaalsContact C-N 3.31Å; L89-T91 PolarHBondContact O-N 3.4Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 3.14Å; L89-F93 PolarHBondContact O-N 3.42Å
90	N	47.4	Very low	44.5	Very low	75 Å²	75	95.6 Å²	95.6	40%	0.401	45%	0.45	S	S	.	.	H	α-helix	trans	-61.5	-40.1	173.8	-77.1	0.2	0	0	0	111.4	K86 L92 F93 Y94	K86-N90 PolarHBondContact O-N 2.68Å; N90-L92 VanDerWaalsContact C-N 3.35Å; N90-L92 PolarHBondContact O-N 3.3Å; N90-F93 PolarHBondContact O-N 2.87Å; N90-Y94 HydrophobicContact CB-CD2 4.34Å; N90-Y94 HydrophobicContact CB-CE2 4.04Å; N90-Y94 WeakPolarHBondContact O-CD2 3.41Å; N90-Y94 PolarHBondContact O-N 3.21Å
91	T	47.3	Very low	44.8	Very low	70 Å²	70	95.4 Å²	95.4	43%	0.429	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-44	175.4	-43.3	0	0	0	0	111.5	R87 Q88 L89 F93 Y94 T95	R87-T91 PolarHBondContact O-N 3.34Å; R87-T91 PolarHBondContact O-OG1 3.24Å; Q88-T91 PolarHBondContact O-N 2.81Å; L89-T91 VanDerWaalsContact C-N 3.31Å; L89-T91 PolarHBondContact O-N 3.4Å; T91-F93 VanDerWaalsContact C-N 3.35Å; T91-F93 PolarHBondContact O-N 2.83Å; T91-Y94 PolarHBondContact O-N 3.01Å; T91-T95 PolarHBondContact O-N 3.17Å; T91-T95 PolarHBondContact O-OG1 2.86Å
92	L	49.7	Very low	45.3	Very low	69 Å²	69	93.1 Å²	93.1	36%	0.361	44%	0.435	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.7	-166.4	84.9	0	0	0	112.1	V68 Q88 L89 N90 T95 L96	V68-L92 HydrophobicContact CG1-CD1 4.19Å; Q88-L92 PolarHBondContact O-N 2.92Å; Q88-L92 VanDerWaalsContact O-N 3.13Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 3.14Å; N90-L92 VanDerWaalsContact C-N 3.35Å; N90-L92 PolarHBondContact O-N 3.3Å; L92-T95 VanDerWaalsContact CA-OG1 3.29Å; L92-T95 WeakPolarHBondContact CA-OG1 3.49Å; L92-T95 PolarHBondContact O-N 3.09Å; L92-T95 PolarHBondContact O-OG1 3.43Å; L92-L96 WeakPolarHBondContact O-CB 3.24Å; L92-L96 PolarHBondContact O-N 3.42Å
93	F	48.6	Very low	45.9	Very low	101 Å²	101	94.6 Å²	94.6	44%	0.443	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-45	176.6	-175.2	-107.1	0	0	0	111.7	L89 N90 T91 T95 L96 I97	L89-F93 PolarHBondContact O-N 3.42Å; N90-F93 PolarHBondContact O-N 2.87Å; T91-F93 VanDerWaalsContact C-N 3.35Å; T91-F93 PolarHBondContact O-N 2.83Å; F93-T95 PolarHBondContact O-N 2.9Å; F93-L96 PolarHBondContact O-N 2.73Å; F93-I97 HydrophobicContact CD1-CD1 3.58Å; F93-I97 HydrophobicContact CE1-CD1 3.21Å; F93-I97 HydrophobicContact CE1-CG1 4.31Å; F93-I97 HydrophobicContact CE2-CD1 4.33Å; F93-I97 HydrophobicContact CG-CD1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 3.63Å; F93-I97 HydrophobicContact CZ-CG1 4.4Å; F93-I97 WeakPolarHBondContact O-CG1 3.45Å; F93-I97 PolarHBondContact O-N 3.16Å
94	Y	48.8	Very low	46	Very low	142 Å²	142	92.1 Å²	92.1	56%	0.557	44%	0.436	S	S	*	.	H	α-helix	trans	-64.4	-38.5	175.5	-70.1	-55.4	0	0	0	112.1	N90 T91 L98	N90-Y94 HydrophobicContact CB-CD2 4.34Å; N90-Y94 HydrophobicContact CB-CE2 4.04Å; N90-Y94 WeakPolarHBondContact O-CD2 3.41Å; N90-Y94 PolarHBondContact O-N 3.21Å; T91-Y94 PolarHBondContact O-N 3.01Å; Y94-L98 WeakPolarHBondContact O-CB 2.98Å; Y94-L98 PolarHBondContact O-N 2.71Å
95	T	47.3	Very low	46	Very low	16 Å²	16	83.2 Å²	83.2	10%	0.098	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-36.6	173	32.2	0	0	0	0	112.5	Y64 T91 L92 F93 L98 F99	Y64-T95 HydrophobicContact CD1-CG2 3.83Å; Y64-T95 HydrophobicContact CE1-CG2 3.76Å; T91-T95 PolarHBondContact O-N 3.17Å; T91-T95 PolarHBondContact O-OG1 2.86Å; L92-T95 VanDerWaalsContact CA-OG1 3.29Å; L92-T95 WeakPolarHBondContact CA-OG1 3.49Å; L92-T95 PolarHBondContact O-N 3.09Å; L92-T95 PolarHBondContact O-OG1 3.43Å; F93-T95 PolarHBondContact O-N 2.9Å; T95-L98 PolarHBondContact O-N 3.49Å; T95-F99 WeakPolarHBondContact O-CB 3.47Å; T95-F99 PolarHBondContact O-N 3.26Å
96	L	49.3	Very low	46.1	Very low	86 Å²	86	80.3 Å²	80.3	45%	0.45	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-40.1	175.8	-166.2	73.8	0	0	0	111.9	F65 L92 F93 F99 T100	F65-L96 HydrophobicContact CE2-CD1 4.38Å; L92-L96 WeakPolarHBondContact O-CB 3.24Å; L92-L96 PolarHBondContact O-N 3.42Å; F93-L96 PolarHBondContact O-N 2.73Å; L96-F99 PolarHBondContact O-N 2.87Å; L96-T100 PolarHBondContact O-N 2.9Å; L96-T100 PolarHBondContact O-OG1 2.89Å
97	I	48.9	Very low	46.1	Very low	59 Å²	59	75.6 Å²	75.6	30%	0.303	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-48.9	172.1	-71.3	170	0	0	0	110.5	F93 F99 T100 F101	F93-I97 HydrophobicContact CD1-CD1 3.58Å; F93-I97 HydrophobicContact CE1-CD1 3.21Å; F93-I97 HydrophobicContact CE1-CG1 4.31Å; F93-I97 HydrophobicContact CE2-CD1 4.33Å; F93-I97 HydrophobicContact CG-CD1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 3.63Å; F93-I97 HydrophobicContact CZ-CG1 4.4Å; F93-I97 WeakPolarHBondContact O-CG1 3.45Å; F93-I97 PolarHBondContact O-N 3.16Å; I97-F99 PolarHBondContact O-N 2.96Å; I97-T100 WeakPolarHBondContact CA-OG1 3.47Å; I97-T100 PolarHBondContact O-N 3.07Å; I97-T100 PolarHBondContact O-OG1 2.81Å; I97-T100 VanDerWaalsContact O-OG1 3.08Å; I97-F101 WeakPolarHBondContact O-CB 3.32Å; I97-F101 PolarHBondContact O-N 3.45Å
98	L	47.1	Very low	46.2	Very low	103 Å²	103	67.1 Å²	67.1	54%	0.539	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-38.1	177.8	-121.8	99	0	0	0	110.9	V61 Y94 T95 A102	V61-L98 HydrophobicContact CG2-CD2 4.23Å; Y94-L98 WeakPolarHBondContact O-CB 2.98Å; Y94-L98 PolarHBondContact O-N 2.71Å; T95-L98 PolarHBondContact O-N 3.49Å; L98-A102 WeakPolarHBondContact O-CB 3.34Å; L98-A102 PolarHBondContact O-N 2.73Å
99	F	47.9	Very low	46.1	Very low	33 Å²	33	65.8 Å²	65.8	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-44.1	178.3	-176.5	-108.7	0	0	0	112.3	F58 V61 F62 T95 L96 I97 A102 L103	F58-F99 HydrophobicContact CD2-CE2 4.18Å; F58-F99 HydrophobicContact CE2-CD2 4.03Å; F58-F99 AromaticContact CE2-CE2 3.29Å; F58-F99 HydrophobicContact CE2-CE2 3.29Å; F58-F99 AromaticContact CE2-CZ 3.85Å; F58-F99 HydrophobicContact CE2-CZ 3.85Å; F58-F99 AromaticContact CZ-CE2 3.65Å; F58-F99 HydrophobicContact CZ-CE2 3.65Å; F58-F99 AromaticContact CZ-CZ 3.98Å; F58-F99 HydrophobicContact CZ-CZ 3.98Å; V61-F99 HydrophobicContact CG1-CB 4.4Å; V61-F99 HydrophobicContact CG1-CD2 4.41Å; F62-F99 HydrophobicContact CB-CE2 4.05Å; F62-F99 HydrophobicContact CD2-CD2 4.19Å; F62-F99 AromaticContact CD2-CE2 3.32Å; F62-F99 HydrophobicContact CD2-CE2 3.32Å; F62-F99 AromaticContact CD2-CZ 3.62Å; F62-F99 HydrophobicContact CD2-CZ 3.62Å; F62-F99 HydrophobicContact CE2-CE2 4.16Å; F62-F99 AromaticContact CE2-CZ 3.99Å; F62-F99 HydrophobicContact CE2-CZ 3.99Å; F62-F99 HydrophobicContact CG-CE2 4.08Å; T95-F99 WeakPolarHBondContact O-CB 3.47Å; T95-F99 PolarHBondContact O-N 3.26Å; L96-F99 PolarHBondContact O-N 2.87Å; I97-F99 PolarHBondContact O-N 2.96Å; F99-A102 PolarHBondContact O-N 3.03Å; F99-L103 HydrophobicContact CD1-CD1 3.73Å; F99-L103 HydrophobicContact CE1-CD1 3.26Å; F99-L103 HydrophobicContact CE2-CD1 4.18Å; F99-L103 HydrophobicContact CG-CD1 4.39Å; F99-L103 HydrophobicContact CZ-CD1 3.51Å; F99-L103 WeakPolarHBondContact O-CB 3.47Å; F99-L103 PolarHBondContact O-N 3.28Å
100	T	46.6	Very low	45.7	Very low	45 Å²	45	65.2 Å²	65.2	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-40.1	174.4	26.8	0	0	0	0	111.6	L96 I97 L103 C104	L96-T100 PolarHBondContact O-N 2.9Å; L96-T100 PolarHBondContact O-OG1 2.89Å; I97-T100 WeakPolarHBondContact CA-OG1 3.47Å; I97-T100 PolarHBondContact O-N 3.07Å; I97-T100 PolarHBondContact O-OG1 2.81Å; I97-T100 VanDerWaalsContact O-OG1 3.08Å; T100-L103 WeakPolarHBondContact O-CB 3.07Å; T100-L103 PolarHBondContact O-N 2.99Å; T100-C104 WeakPolarHBondContact O-CB 3.18Å; T100-C104 PolarHBondContact O-N 2.86Å; T100-C104 PolarHBondContact O-SG 2.94Å; T100-C104 VanDerWaalsContact O-SG 3.39Å
101	F	44.7	Very low	45.6	Very low	151 Å²	151	66 Å²	66	66%	0.662	35%	0.347	S	S	*	.	H	α-helix	trans	-65.5	-40.3	174.5	-151	-87	0	0	0	111.7	I97 C104 S105	I97-F101 WeakPolarHBondContact O-CB 3.32Å; I97-F101 PolarHBondContact O-N 3.45Å; F101-C104 PolarHBondContact O-N 2.62Å; F101-S105 WeakPolarHBondContact O-CB 3.19Å; F101-S105 PolarHBondContact O-N 3.16Å; F101-S105 PolarHBondContact O-OG 3.48Å
102	A	46.3	Very low	45	Very low	13 Å²	13	67 Å²	67	11%	0.107	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-39.7	173.5	0	0	0	0	0	111.6	F58 L98 F99 S105 L106	F58-A102 HydrophobicContact CD2-CB 4.21Å; L98-A102 WeakPolarHBondContact O-CB 3.34Å; L98-A102 PolarHBondContact O-N 2.73Å; F99-A102 PolarHBondContact O-N 3.03Å; A102-S105 WeakPolarHBondContact CA-OG 3.47Å; A102-S105 PolarHBondContact O-OG 3.21Å; A102-S105 VanDerWaalsContact O-OG 3.14Å; A102-L106 WeakPolarHBondContact O-CB 3.39Å; A102-L106 PolarHBondContact O-N 3.06Å
103	L	47.5	Very low	44.5	Very low	78 Å²	78	69.5 Å²	69.5	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-44.8	173.7	-104.1	144.2	0	0	0	112.7	F58 F99 T100 S107	F58-L103 HydrophobicContact CE2-CD1 4.21Å; F58-L103 HydrophobicContact CE2-CG 3.88Å; F99-L103 HydrophobicContact CD1-CD1 3.73Å; F99-L103 HydrophobicContact CE1-CD1 3.26Å; F99-L103 HydrophobicContact CE2-CD1 4.18Å; F99-L103 HydrophobicContact CG-CD1 4.39Å; F99-L103 HydrophobicContact CZ-CD1 3.51Å; F99-L103 WeakPolarHBondContact O-CB 3.47Å; F99-L103 PolarHBondContact O-N 3.28Å; T100-L103 WeakPolarHBondContact O-CB 3.07Å; T100-L103 PolarHBondContact O-N 2.99Å; L103-S107 WeakPolarHBondContact O-CB 3.21Å; L103-S107 PolarHBondContact O-N 3.34Å; L103-S107 PolarHBondContact O-OG 2.95Å
104	C	45.9	Very low	44	Very low	79 Å²	79	74.2 Å²	74.2	53%	0.534	39%	0.39	S	S	.	.	H	α-helix	trans	-69.7	-39	178.8	-73.5	0	0	0	0	112.4	T100 F101 S107 S108	T100-C104 WeakPolarHBondContact O-CB 3.18Å; T100-C104 PolarHBondContact O-N 2.86Å; T100-C104 PolarHBondContact O-SG 2.94Å; T100-C104 VanDerWaalsContact O-SG 3.39Å; F101-C104 PolarHBondContact O-N 2.62Å; C104-S107 WeakPolarHBondContact CA-OG 3.37Å; C104-S107 PolarHBondContact O-OG 3.33Å; C104-S108 WeakPolarHBondContact O-CB 3.19Å; C104-S108 PolarHBondContact O-N 2.87Å; C104-S108 PolarHBondContact O-OG 2.9Å
105	S	41.4	Very low	43.5	Very low	44 Å²	44	72 Å²	72	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-69.2	-44	174.5	49.4	0	0	0	0	110.7	F101 A102 S107 S108 V109	F101-S105 WeakPolarHBondContact O-CB 3.19Å; F101-S105 PolarHBondContact O-N 3.16Å; F101-S105 PolarHBondContact O-OG 3.48Å; A102-S105 WeakPolarHBondContact CA-OG 3.47Å; A102-S105 PolarHBondContact O-OG 3.21Å; A102-S105 VanDerWaalsContact O-OG 3.14Å; S105-S107 VanDerWaalsContact C-N 3.33Å; S105-S107 PolarHBondContact O-N 3.37Å; S105-S108 WeakPolarHBondContact CA-OG 3.5Å; S105-S108 PolarHBondContact O-N 3.09Å; S105-S108 PolarHBondContact O-OG 3.44Å; S105-V109 VanDerWaalsContact O-CB 3.28Å; S105-V109 WeakPolarHBondContact O-CB 3.42Å; S105-V109 WeakPolarHBondContact O-CG2 3.15Å; S105-V109 PolarHBondContact O-N 3.5Å
106	L	41.2	Very low	43.1	Very low	16 Å²	16	74.5 Å²	74.5	8%	0.084	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-40.2	175	-168	73	0	0	0	111.9	A54 V55 F58 A102 V109 L110	A54-L106 HydrophobicContact CB-CD1 3.82Å; V55-L106 HydrophobicContact CG2-CD1 3.76Å; F58-L106 HydrophobicContact CB-CD2 4.34Å; F58-L106 HydrophobicContact CD1-CD2 4.35Å; F58-L106 HydrophobicContact CD2-CD2 4.4Å; F58-L106 HydrophobicContact CG-CD2 4.1Å; A102-L106 WeakPolarHBondContact O-CB 3.39Å; A102-L106 PolarHBondContact O-N 3.06Å; L106-V109 PolarHBondContact O-N 3.28Å; L106-L110 HydrophobicContact CD1-CD1 3.95Å; L106-L110 HydrophobicContact CD1-CG 4.19Å; L106-L110 HydrophobicContact CD2-CD1 4.07Å; L106-L110 HydrophobicContact CG-CD1 3.61Å; L106-L110 HydrophobicContact CG-CG 4.19Å; L106-L110 VanDerWaalsContact O-CB 3.24Å; L106-L110 WeakPolarHBondContact O-CB 3.05Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.4Å
107	S	43.9	Very low	42.5	Very low	58 Å²	58	77.8 Å²	77.8	41%	0.406	42%	0.42	S	S	.	.	H	α-helix	trans	-67.1	-40.7	176	69.3	0	0	0	0	112	L103 C104 S105 V109 F111	L103-S107 WeakPolarHBondContact O-CB 3.21Å; L103-S107 PolarHBondContact O-N 3.34Å; L103-S107 PolarHBondContact O-OG 2.95Å; C104-S107 WeakPolarHBondContact CA-OG 3.37Å; C104-S107 PolarHBondContact O-OG 3.33Å; S105-S107 VanDerWaalsContact C-N 3.33Å; S105-S107 PolarHBondContact O-N 3.37Å; S107-V109 VanDerWaalsContact C-N 3.31Å; S107-V109 PolarHBondContact O-N 2.9Å; S107-F111 WeakPolarHBondContact O-CB 3.44Å; S107-F111 WeakPolarHBondContact O-CD2 3.34Å; S107-F111 PolarHBondContact O-N 3Å; S107-F111 VanDerWaalsContact O-N 3.1Å
108	S	42.6	Very low	42.1	Very low	37 Å²	37	77.9 Å²	77.9	26%	0.259	43%	0.43	S	S	.	.	H	α-helix	trans	-67.5	-29	175.8	70.4	0	0	0	0	113.7	C104 S105	C104-S108 WeakPolarHBondContact O-CB 3.19Å; C104-S108 PolarHBondContact O-N 2.87Å; C104-S108 PolarHBondContact O-OG 2.9Å; S105-S108 WeakPolarHBondContact CA-OG 3.5Å; S105-S108 PolarHBondContact O-N 3.09Å; S105-S108 PolarHBondContact O-OG 3.44Å
109	V	39	Very low	41.9	Very low	37 Å²	37	76.5 Å²	76.5	22%	0.224	42%	0.422	C	S	.	.	H	α-helix	trans	-92.5	-34	-175.1	171.3	0	0	0	0	112.3	Y50 Q51 S105 L106 S107	Y50-V109 HydrophobicContact CD1-CG1 3.58Å; Y50-V109 HydrophobicContact CD1-CG2 4.42Å; Y50-V109 HydrophobicContact CE1-CB 4.45Å; Y50-V109 HydrophobicContact CE1-CG1 3.75Å; Y50-V109 HydrophobicContact CE1-CG2 3.73Å; Q51-V109 HydrophobicContact CG-CG1 3.9Å; Q51-V109 PolarHBondContact NE2-O 3.49Å; Q51-V109 VanDerWaalsContact NE2-O 3.09Å; S105-V109 VanDerWaalsContact O-CB 3.28Å; S105-V109 WeakPolarHBondContact O-CB 3.42Å; S105-V109 WeakPolarHBondContact O-CG2 3.15Å; S105-V109 PolarHBondContact O-N 3.5Å; L106-V109 PolarHBondContact O-N 3.28Å; S107-V109 VanDerWaalsContact C-N 3.31Å; S107-V109 PolarHBondContact O-N 2.9Å
110	L	38.7	Very low	41.5	Very low	57 Å²	57	81.4 Å²	81.4	30%	0.298	44%	0.444	S	S	.	.	H	α-helix	trans	-76.5	-31.2	173.8	-75.6	172.7	0	0	0	111.9	Q51 L106	Q51-L110 HydrophobicContact CG-CD2 4.39Å; L106-L110 HydrophobicContact CD1-CD1 3.95Å; L106-L110 HydrophobicContact CD1-CG 4.19Å; L106-L110 HydrophobicContact CD2-CD1 4.07Å; L106-L110 HydrophobicContact CG-CD1 3.61Å; L106-L110 HydrophobicContact CG-CG 4.19Å; L106-L110 VanDerWaalsContact O-CB 3.24Å; L106-L110 WeakPolarHBondContact O-CB 3.05Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.4Å
111	F	44.4	Very low	41.3	Very low	91 Å²	91	83.1 Å²	83.1	40%	0.399	45%	0.451	S	S	.	.	S	Bend	trans	-121	86.9	-170.1	-55.7	-76.7	0	0	0	110.9	S107	S107-F111 WeakPolarHBondContact O-CB 3.44Å; S107-F111 WeakPolarHBondContact O-CD2 3.34Å; S107-F111 PolarHBondContact O-N 3Å; S107-F111 VanDerWaalsContact O-N 3.1Å
112	V	36.1	Very low	41.3	Very low	93 Å²	93	78.5 Å²	78.5	56%	0.564	43%	0.433	S	S	*	.			trans	94.9	118.7	154.8	-168.1	0	0	0	0	116	Y114	V112-Y114 PolarHBondContact O-N 3.36Å; V112-Y114 VanDerWaalsContact O-N 3.1Å
113	P	38.6	Very low	41.1	Very low	120 Å²	120	81.1 Å²	81.1	78%	0.779	45%	0.45	S	S	*	.	S	Bend	trans	-77.2	12.1	-178	32	-34.2	0	0	0	115
114	Y	37.6	Very low	40.6	Very low	201 Å²	201	79.7 Å²	79.7	79%	0.788	45%	0.445	S	S	*	.			trans	-121.6	74.8	177.7	-62.9	-78.3	0	0	0	108.9	V112 S116	V112-Y114 PolarHBondContact O-N 3.36Å; V112-Y114 VanDerWaalsContact O-N 3.1Å; Y114-S116 PolarHBondContact O-N 2.81Å
115	T	37.7	Very low	40.6	Very low	95 Å²	95	77.3 Å²	77.3	58%	0.583	43%	0.429	S	S	*	.			trans	-66.4	103.1	178	38	0	0	0	0	109.5	I119	T115-I119 HydrophobicContact CG2-CD1 4.36Å
116	S	40.6	Very low	40.8	Very low	68 Å²	68	77.8 Å²	77.8	48%	0.476	43%	0.43	S	S	.	.			trans	-66.3	147.7	173.9	82.3	0	0	0	0	109.7	Y114 A118 I119	Y114-S116 PolarHBondContact O-N 2.81Å; S116-A118 PolarHBondContact O-N 2.83Å; S116-A118 WeakPolarHBondContact OG-CB 3.4Å; S116-A118 PolarHBondContact OG-N 3.01Å; S116-I119 PolarHBondContact O-N 3.21Å
117	F	36.1	Very low	40.8	Very low	155 Å²	155	83.6 Å²	83.6	68%	0.68	46%	0.455	S	S	*	.	H	α-helix	trans	-40.5	-24.7	170.1	-175.5	-116.1	0	0	0	114	F120 L121	F117-F120 PolarHBondContact O-N 3.35Å; F117-L121 HydrophobicContact CD1-CD1 3.43Å; F117-L121 VanDerWaalsContact CD1-CD1 3.43Å; F117-L121 HydrophobicContact CE1-CD1 3.16Å; F117-L121 HydrophobicContact CE1-CG 4.44Å; F117-L121 HydrophobicContact CE2-CD1 4.37Å; F117-L121 HydrophobicContact CG-CD1 4.16Å; F117-L121 HydrophobicContact CZ-CD1 3.68Å; F117-L121 WeakPolarHBondContact O-CB 3.3Å; F117-L121 PolarHBondContact O-N 2.92Å
118	A	40.9	Very low	40.7	Very low	61 Å²	61	83.8 Å²	83.8	50%	0.504	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-36.6	175.3	0	0	0	0	0	114.4	S116 L122	S116-A118 PolarHBondContact O-N 2.83Å; S116-A118 WeakPolarHBondContact OG-CB 3.4Å; S116-A118 PolarHBondContact OG-N 3.01Å; A118-L122 WeakPolarHBondContact O-CB 3.36Å; A118-L122 PolarHBondContact O-N 3.43Å
119	I	43.3	Very low	40.9	Very low	75 Å²	75	83.8 Å²	83.8	39%	0.385	45%	0.448	S	S	.	.	H	α-helix	trans	-73.7	-37.3	178.1	-64.9	172.1	0	0	0	110.4	T115 S116 L122 S123	T115-I119 HydrophobicContact CG2-CD1 4.36Å; S116-I119 PolarHBondContact O-N 3.21Å; I119-L122 WeakPolarHBondContact O-CB 3.17Å; I119-L122 PolarHBondContact O-N 3.36Å; I119-S123 PolarHBondContact O-N 3.1Å
120	F	39.6	Very low	41.1	Very low	135 Å²	135	87.5 Å²	87.5	59%	0.592	46%	0.461	S	S	*	.	H	α-helix	trans	-63.8	-48.3	171.7	178.1	-99.5	0	0	0	111	F117 L122 S123 T124	F117-F120 PolarHBondContact O-N 3.35Å; F120-L122 PolarHBondContact O-N 3.47Å; F120-S123 PolarHBondContact O-N 3.48Å; F120-S123 PolarHBondContact O-OG 3.17Å; F120-T124 WeakPolarHBondContact O-CB 2.93Å; F120-T124 PolarHBondContact O-N 2.89Å; F120-T124 PolarHBondContact O-OG1 2.64Å
121	L	40.7	Very low	41.2	Very low	81 Å²	81	86 Å²	86	42%	0.424	46%	0.455	S	S	.	.	H	α-helix	trans	-57.5	-37	172.7	-105.6	143.6	0	0	0	112	F117 S125	F117-L121 HydrophobicContact CD1-CD1 3.43Å; F117-L121 VanDerWaalsContact CD1-CD1 3.43Å; F117-L121 HydrophobicContact CE1-CD1 3.16Å; F117-L121 HydrophobicContact CE1-CG 4.44Å; F117-L121 HydrophobicContact CE2-CD1 4.37Å; F117-L121 HydrophobicContact CG-CD1 4.16Å; F117-L121 HydrophobicContact CZ-CD1 3.68Å; F117-L121 WeakPolarHBondContact O-CB 3.3Å; F117-L121 PolarHBondContact O-N 2.92Å; L121-S125 WeakPolarHBondContact O-CB 3.26Å; L121-S125 PolarHBondContact O-N 3.45Å; L121-S125 PolarHBondContact O-OG 2.71Å
122	L	44.7	Very low	41.5	Very low	54 Å²	54	82.5 Å²	82.5	28%	0.283	44%	0.441	S	S	.	.	H	α-helix	trans	-70.4	-45.9	177.6	-174.3	74.9	0	0	0	112.2	A118 I119 F120 T124 S125 V126 F184	A118-L122 WeakPolarHBondContact O-CB 3.36Å; A118-L122 PolarHBondContact O-N 3.43Å; I119-L122 WeakPolarHBondContact O-CB 3.17Å; I119-L122 PolarHBondContact O-N 3.36Å; F120-L122 PolarHBondContact O-N 3.47Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.91Å; L122-S125 PolarHBondContact O-N 2.77Å; L122-V126 HydrophobicContact CG-CG2 4.47Å; L122-V126 WeakPolarHBondContact O-CB 3.27Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 2.83Å; L122-F184 HydrophobicContact CD1-CE1 4.05Å; L122-F184 HydrophobicContact CD1-CE2 3.95Å; L122-F184 HydrophobicContact CD1-CZ 3.56Å; L122-F184 HydrophobicContact CD2-CD1 4.29Å; L122-F184 HydrophobicContact CD2-CE1 3.3Å; L122-F184 HydrophobicContact CD2-CZ 3.49Å; L122-F184 VanDerWaalsContact CD2-CZ 3.49Å; L122-F184 HydrophobicContact CG-CE1 4.32Å; L122-F184 HydrophobicContact CG-CZ 4.13Å
123	S	41.7	Very low	42.1	Very low	68 Å²	68	81 Å²	81	48%	0.476	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-36.9	176.7	81.5	0	0	0	0	110.9	I119 F120 F127	I119-S123 PolarHBondContact O-N 3.1Å; F120-S123 PolarHBondContact O-N 3.48Å; F120-S123 PolarHBondContact O-OG 3.17Å; S123-F127 WeakPolarHBondContact O-CB 3.29Å; S123-F127 PolarHBondContact O-N 2.77Å
124	T	39	Very low	42.3	Very low	48 Å²	48	78.5 Å²	78.5	29%	0.294	42%	0.415	S	S	.	.	H	α-helix	trans	-68.8	-40.8	175.2	-40.9	0	0	0	0	110.6	F120 L122 F127 L128	F120-T124 WeakPolarHBondContact O-CB 2.93Å; F120-T124 PolarHBondContact O-N 2.89Å; F120-T124 PolarHBondContact O-OG1 2.64Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.91Å; T124-F127 PolarHBondContact O-N 3.2Å; T124-L128 HydrophobicContact CG2-CD1 4.22Å; T124-L128 VanDerWaalsContact O-CB 3.3Å; T124-L128 WeakPolarHBondContact O-CB 3.46Å; T124-L128 WeakPolarHBondContact O-CD1 3.33Å; T124-L128 WeakPolarHBondContact O-CG 3.35Å; T124-L128 PolarHBondContact O-N 3.44Å
125	S	44.7	Very low	42.6	Very low	29 Å²	29	71.7 Å²	71.7	20%	0.203	39%	0.394	C	S	.	.	H	α-helix	trans	-65.7	-45.4	176.4	-62.6	0	0	0	0	111.1	L121 L122 L128 L129	L121-S125 WeakPolarHBondContact O-CB 3.26Å; L121-S125 PolarHBondContact O-N 3.45Å; L121-S125 PolarHBondContact O-OG 2.71Å; L122-S125 PolarHBondContact O-N 2.77Å; S125-L128 CarbonylContact O-C 3.54Å; S125-L128 PolarHBondContact O-N 3.09Å; S125-L129 VanDerWaalsContact O-CB 3.26Å; S125-L129 WeakPolarHBondContact O-CB 3.49Å; S125-L129 PolarHBondContact O-N 3.31Å
126	V	45.9	Very low	43.1	Very low	54 Å²	54	70.3 Å²	70.3	33%	0.327	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-41	175.4	171.5	0	0	0	0	111.1	L122 L129 F130	L122-V126 HydrophobicContact CG-CG2 4.47Å; L122-V126 WeakPolarHBondContact O-CB 3.27Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 2.83Å; V126-L129 CarbonylContact O-C 3.53Å; V126-L129 PolarHBondContact O-N 2.83Å; V126-F130 HydrophobicContact CG1-CD2 3.62Å; V126-F130 HydrophobicContact CG1-CE2 3.62Å; V126-F130 VanDerWaalsContact O-CD2 3.29Å; V126-F130 WeakPolarHBondContact O-CD2 3.45Å; V126-F130 PolarHBondContact O-N 3.24Å
127	F	41.9	Very low	43.7	Very low	139 Å²	139	69.8 Å²	69.8	61%	0.61	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-45.4	173	175.9	-97.9	0	0	0	111.7	S123 T124 L129 F130 S131	S123-F127 WeakPolarHBondContact O-CB 3.29Å; S123-F127 PolarHBondContact O-N 2.77Å; T124-F127 PolarHBondContact O-N 3.2Å; F127-L129 VanDerWaalsContact C-N 3.31Å; F127-L129 PolarHBondContact O-N 3.24Å; F127-F130 PolarHBondContact O-N 3.42Å; F127-S131 WeakPolarHBondContact O-CB 3.33Å; F127-S131 PolarHBondContact O-N 3.26Å; F127-S131 PolarHBondContact O-OG 2.9Å
128	L	40.3	Very low	44.3	Very low	61 Å²	61	67.3 Å²	67.3	32%	0.319	36%	0.362	S	S	.	.	H	α-helix	trans	-65.2	-33.9	174.6	-70.9	168.4	0	0	0	111.7	T124 S125 S131 D132 F214	T124-L128 HydrophobicContact CG2-CD1 4.22Å; T124-L128 VanDerWaalsContact O-CB 3.3Å; T124-L128 WeakPolarHBondContact O-CB 3.46Å; T124-L128 WeakPolarHBondContact O-CD1 3.33Å; T124-L128 WeakPolarHBondContact O-CG 3.35Å; T124-L128 PolarHBondContact O-N 3.44Å; S125-L128 CarbonylContact O-C 3.54Å; S125-L128 PolarHBondContact O-N 3.09Å; L128-S131 CarbonylContact O-C 3.5Å; L128-S131 WeakPolarHBondContact O-CB 3.48Å; L128-S131 PolarHBondContact O-N 2.79Å; L128-D132 PolarHBondContact O-N 2.81Å; L128-D132 VanDerWaalsContact O-N 3.09Å; L128-F214 HydrophobicContact CB-CE2 4.25Å; L128-F214 HydrophobicContact CB-CZ 3.94Å; L128-F214 HydrophobicContact CD2-CE1 4.2Å; L128-F214 HydrophobicContact CD2-CZ 4.32Å
129	L	46.6	Very low	44.5	Very low	38 Å²	38	66.5 Å²	66.5	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-77.3	-27.9	178.2	-131	118.7	0	0	0	113.6	S125 V126 F127 S131 D132 M177 I210	S125-L129 VanDerWaalsContact O-CB 3.26Å; S125-L129 WeakPolarHBondContact O-CB 3.49Å; S125-L129 PolarHBondContact O-N 3.31Å; V126-L129 CarbonylContact O-C 3.53Å; V126-L129 PolarHBondContact O-N 2.83Å; F127-L129 VanDerWaalsContact C-N 3.31Å; F127-L129 PolarHBondContact O-N 3.24Å; L129-S131 VanDerWaalsContact C-N 3.32Å; L129-D132 WeakPolarHBondContact O-CB 3.4Å; L129-D132 PolarHBondContact O-N 2.9Å; L129-M177 HydrophobicContact CD2-CE 3.28Å; L129-M177 HydrophobicContact CD2-SD 4.28Å; L129-I210 HydrophobicContact CD1-CD1 4.45Å; L129-I210 HydrophobicContact CD1-CG1 4.34Å
130	F	43.2	Very low	44.9	Very low	115 Å²	115	65.2 Å²	65.2	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-79	-22.5	167.2	-83.2	-69	0	0	0	111.8	V126 F127	V126-F130 HydrophobicContact CG1-CD2 3.62Å; V126-F130 HydrophobicContact CG1-CE2 3.62Å; V126-F130 VanDerWaalsContact O-CD2 3.29Å; V126-F130 WeakPolarHBondContact O-CD2 3.45Å; V126-F130 PolarHBondContact O-N 3.24Å; F127-F130 PolarHBondContact O-N 3.42Å
131	S	41.5	Very low	45.5	Very low	25 Å²	25	62.1 Å²	62.1	18%	0.175	33%	0.332	C	S	.	.	S	Bend	trans	-76.6	-10.8	169.5	-53.2	0	0	0	0	112.6	F127 L128 L129 L133 S134 V135	F127-S131 WeakPolarHBondContact O-CB 3.33Å; F127-S131 PolarHBondContact O-N 3.26Å; F127-S131 PolarHBondContact O-OG 2.9Å; L128-S131 CarbonylContact O-C 3.5Å; L128-S131 WeakPolarHBondContact O-CB 3.48Å; L128-S131 PolarHBondContact O-N 2.79Å; L129-S131 VanDerWaalsContact C-N 3.32Å; S131-L133 PolarHBondContact O-N 2.9Å; S131-S134 PolarHBondContact O-OG 3.48Å; S131-V135 VanDerWaalsContact O-CB 3.24Å; S131-V135 WeakPolarHBondContact O-CB 3.38Å; S131-V135 VanDerWaalsContact O-CG2 3.25Å; S131-V135 WeakPolarHBondContact O-CG2 3.25Å; S131-V135 PolarHBondContact O-N 3.42Å
132	D	51.9	Low	46.2	Very low	17 Å²	17	64.8 Å²	64.8	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-54.3	-52	-162.7	-166.6	15	0	0	0	114.7	L128 L129 F136	L128-D132 PolarHBondContact O-N 2.81Å; L128-D132 VanDerWaalsContact O-N 3.09Å; L129-D132 WeakPolarHBondContact O-CB 3.4Å; L129-D132 PolarHBondContact O-N 2.9Å; D132-F136 WeakPolarHBondContact O-CB 3.13Å; D132-F136 PolarHBondContact O-N 2.83Å; D132-F136 VanDerWaalsContact O-N 3.17Å
133	L	48.1	Very low	46.6	Very low	63 Å²	63	63.6 Å²	63.6	33%	0.33	33%	0.329	S	S	.	.	H	α-helix	trans	-83.1	-39.6	-176.3	-85.5	136.3	0	0	0	113.3	S131 F137 L164 F170	S131-L133 PolarHBondContact O-N 2.9Å; L133-F137 HydrophobicContact CD2-CD2 4.34Å; L133-F137 HydrophobicContact CD2-CE2 3.63Å; L133-F137 WeakPolarHBondContact O-CB 3.42Å; L133-F137 WeakPolarHBondContact O-CD2 3.24Å; L133-F137 PolarHBondContact O-N 3.29Å; L133-F137 VanDerWaalsContact O-N 3.1Å; L133-L164 HydrophobicContact CD2-CD2 4.12Å; L133-F170 HydrophobicContact CD1-CD2 4.12Å; L133-F170 HydrophobicContact CD1-CE2 3.5Å; L133-F170 HydrophobicContact CD1-CZ 4.5Å
134	S	43.4	Very low	47.1	Very low	67 Å²	67	63.6 Å²	63.6	47%	0.469	32%	0.323	S	S	.	.	H	α-helix	trans	-67.1	-43.4	178.7	45.8	0	0	0	0	111	S131 F137 I138	S131-S134 PolarHBondContact O-OG 3.48Å; S134-F137 PolarHBondContact O-N 3.28Å; S134-I138 WeakPolarHBondContact O-CB 3.31Å; S134-I138 WeakPolarHBondContact O-CD1 3.37Å; S134-I138 WeakPolarHBondContact O-CG1 3.41Å; S134-I138 PolarHBondContact O-N 2.85Å
135	V	43.1	Very low	47.8	Very low	58 Å²	58	64.2 Å²	64.2	35%	0.352	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-42.5	179.1	177.4	0	0	0	0	111.6	S131 F137 I138 V139	S131-V135 VanDerWaalsContact O-CB 3.24Å; S131-V135 WeakPolarHBondContact O-CB 3.38Å; S131-V135 VanDerWaalsContact O-CG2 3.25Å; S131-V135 WeakPolarHBondContact O-CG2 3.25Å; S131-V135 PolarHBondContact O-N 3.42Å; V135-F137 VanDerWaalsContact C-N 3.3Å; V135-F137 PolarHBondContact O-N 3.3Å; V135-I138 PolarHBondContact O-N 2.84Å; V135-V139 HydrophobicContact CG1-CG2 4.07Å; V135-V139 WeakPolarHBondContact O-CB 3.34Å; V135-V139 WeakPolarHBondContact O-CG2 3.26Å; V135-V139 PolarHBondContact O-N 2.79Å
136	F	48.6	Very low	48	Very low	65 Å²	65	67.4 Å²	67.4	29%	0.285	34%	0.336	S	S	.	.	H	α-helix	trans	-56.1	-45.9	174.4	170.7	-105.5	0	0	0	111.6	D132 V139 L140 L217	D132-F136 WeakPolarHBondContact O-CB 3.13Å; D132-F136 PolarHBondContact O-N 2.83Å; D132-F136 VanDerWaalsContact O-N 3.17Å; F136-V139 PolarHBondContact O-N 3.01Å; F136-L140 HydrophobicContact CE1-CD2 4.43Å; F136-L140 HydrophobicContact CZ-CD2 4.49Å; F136-L140 WeakPolarHBondContact O-CB 3.42Å; F136-L140 PolarHBondContact O-N 3.1Å; F136-L217 HydrophobicContact CD2-CD2 3.68Å; F136-L217 HydrophobicContact CE2-CD2 3.25Å; F136-L217 HydrophobicContact CE2-CG 3.99Å; F136-L217 HydrophobicContact CZ-CD2 4.16Å
137	F	51.9	Low	48.3	Very low	58 Å²	58	66.4 Å²	66.4	25%	0.254	33%	0.329	S	S	.	.	H	α-helix	trans	-72.6	-33.8	178.2	-73.6	-58.1	0	0	0	113.1	L133 S134 V135 V139 L140 E141 L160 L164	L133-F137 HydrophobicContact CD2-CD2 4.34Å; L133-F137 HydrophobicContact CD2-CE2 3.63Å; L133-F137 WeakPolarHBondContact O-CB 3.42Å; L133-F137 WeakPolarHBondContact O-CD2 3.24Å; L133-F137 PolarHBondContact O-N 3.29Å; L133-F137 VanDerWaalsContact O-N 3.1Å; S134-F137 PolarHBondContact O-N 3.28Å; V135-F137 VanDerWaalsContact C-N 3.3Å; V135-F137 PolarHBondContact O-N 3.3Å; F137-V139 VanDerWaalsContact C-N 3.32Å; F137-L140 HydrophobicContact CD1-CD2 4.07Å; F137-L140 HydrophobicContact CE1-CD2 4.33Å; F137-L140 PolarHBondContact O-N 3.1Å; F137-E141 WeakPolarHBondContact O-CB 3.29Å; F137-E141 PolarHBondContact O-N 2.96Å; F137-L160 HydrophobicContact CE1-CD2 3.81Å; F137-L160 HydrophobicContact CE2-CD2 4.33Å; F137-L160 HydrophobicContact CZ-CD2 3.64Å; F137-L164 HydrophobicContact CD2-CD1 4.37Å; F137-L164 HydrophobicContact CE2-CD1 3.77Å; F137-L164 HydrophobicContact CE2-CD2 4.46Å; F137-L164 HydrophobicContact CZ-CD1 4.42Å
138	I	48.4	Very low	48.6	Very low	102 Å²	102	68.5 Å²	68.5	52%	0.523	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-40.5	171.1	-72	161.8	0	0	0	110.5	S134 V135 Y142	S134-I138 WeakPolarHBondContact O-CB 3.31Å; S134-I138 WeakPolarHBondContact O-CD1 3.37Å; S134-I138 WeakPolarHBondContact O-CG1 3.41Å; S134-I138 PolarHBondContact O-N 2.85Å; V135-I138 PolarHBondContact O-N 2.84Å; I138-Y142 WeakPolarHBondContact O-CB 3.26Å; I138-Y142 PolarHBondContact O-N 2.94Å
139	V	46.7	Very low	49.1	Very low	45 Å²	45	69.8 Å²	69.8	27%	0.273	35%	0.347	S	S	.	.	H	α-helix	trans	-68.9	-42.2	177.5	171.8	0	0	0	0	110.6	V135 F136 F137 Y142 Y143	V135-V139 HydrophobicContact CG1-CG2 4.07Å; V135-V139 WeakPolarHBondContact O-CB 3.34Å; V135-V139 WeakPolarHBondContact O-CG2 3.26Å; V135-V139 PolarHBondContact O-N 2.79Å; F136-V139 PolarHBondContact O-N 3.01Å; F137-V139 VanDerWaalsContact C-N 3.32Å; V139-Y142 PolarHBondContact O-N 3.39Å; V139-Y143 HydrophobicContact CG1-CD2 3.71Å; V139-Y143 HydrophobicContact CG1-CE2 3.41Å; V139-Y143 VanDerWaalsContact CG1-CE2 3.41Å; V139-Y143 WeakPolarHBondContact O-CD2 3.18Å; V139-Y143 PolarHBondContact O-N 2.88Å
140	L	51.9	Low	49.1	Very low	48 Å²	48	70.6 Å²	70.6	25%	0.251	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-45.2	174.1	-175.3	67.4	0	0	0	111.3	F136 F137 Y143 L144	F136-L140 HydrophobicContact CE1-CD2 4.43Å; F136-L140 HydrophobicContact CZ-CD2 4.49Å; F136-L140 WeakPolarHBondContact O-CB 3.42Å; F136-L140 PolarHBondContact O-N 3.1Å; F137-L140 HydrophobicContact CD1-CD2 4.07Å; F137-L140 HydrophobicContact CE1-CD2 4.33Å; F137-L140 PolarHBondContact O-N 3.1Å; L140-Y143 PolarHBondContact O-N 2.86Å; L140-L144 HydrophobicContact CD1-CD1 4.34Å; L140-L144 HydrophobicContact CG-CD1 3.96Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.09Å; L140-L144 WeakPolarHBondContact O-CG 3.37Å; L140-L144 PolarHBondContact O-N 3.37Å
141	E	51.3	Low	49.1	Very low	69 Å²	69	71.3 Å²	71.3	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-45.1	175.4	-176.6	175.2	-173.2	0	0	110.8	F137 Y143 L144 L145	F137-E141 WeakPolarHBondContact O-CB 3.29Å; F137-E141 PolarHBondContact O-N 2.96Å; E141-Y143 PolarHBondContact O-N 3.12Å; E141-L144 PolarHBondContact O-N 2.91Å; E141-L145 HydrophobicContact CG-CD1 3.84Å; E141-L145 HydrophobicContact CG-CG 4.46Å; E141-L145 VanDerWaalsContact O-CB 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.48Å; E141-L145 VanDerWaalsContact O-CG 3.28Å; E141-L145 WeakPolarHBondContact O-CG 3.29Å; E141-L145 PolarHBondContact O-N 2.8Å
142	Y	54.9	Low	49.1	Very low	138 Å²	138	77 Å²	77	54%	0.541	38%	0.381	S	S	.	.	H	α-helix	trans	-57.3	-49.5	174.9	176.5	-90.9	0	0	0	111.7	I138 V139 L145 E146	I138-Y142 WeakPolarHBondContact O-CB 3.26Å; I138-Y142 PolarHBondContact O-N 2.94Å; V139-Y142 PolarHBondContact O-N 3.39Å; Y142-L145 PolarHBondContact O-N 3.24Å; Y142-E146 WeakPolarHBondContact O-CB 3.41Å; Y142-E146 PolarHBondContact O-N 2.86Å
143	Y	52.6	Low	48.6	Very low	29 Å²	29	82.5 Å²	82.5	11%	0.114	41%	0.407	C	S	.	.	H	α-helix	trans	-69.7	-35.3	179	-74.4	-59.6	0	0	0	112.9	V139 L140 E141 L145 E146 I147 M221 R222 A225	V139-Y143 HydrophobicContact CG1-CD2 3.71Å; V139-Y143 HydrophobicContact CG1-CE2 3.41Å; V139-Y143 VanDerWaalsContact CG1-CE2 3.41Å; V139-Y143 WeakPolarHBondContact O-CD2 3.18Å; V139-Y143 PolarHBondContact O-N 2.88Å; L140-Y143 PolarHBondContact O-N 2.86Å; E141-Y143 PolarHBondContact O-N 3.12Å; Y143-L145 VanDerWaalsContact C-N 3.35Å; Y143-E146 PolarHBondContact O-N 2.8Å; Y143-I147 VanDerWaalsContact O-CD1 3.24Å; Y143-I147 WeakPolarHBondContact O-CD1 3.29Å; Y143-I147 WeakPolarHBondContact O-CG1 3.27Å; Y143-I147 PolarHBondContact O-N 3.41Å; Y143-M221 HydrophobicContact CD2-CB 4.25Å; Y143-R222 HydrophobicContact CE1-CG 3.49Å; Y143-R222 VanDerWaalsContact CE1-CG 3.49Å; Y143-R222 HydrophobicContact CE2-CG 4.24Å; Y143-R222 WeakPolarHBondContact OH-CD 3.23Å; Y143-R222 WeakPolarHBondContact OH-CG 3.33Å; Y143-R222 PolarHBondContact OH-NE 2.93Å; Y143-A225 HydrophobicContact CD1-CB 4.45Å
144	L	54	Low	48.4	Very low	67 Å²	67	84.3 Å²	84.3	35%	0.351	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-35.7	175.1	-71.9	172.8	0	0	0	112	L140 E141 L149	L140-L144 HydrophobicContact CD1-CD1 4.34Å; L140-L144 HydrophobicContact CG-CD1 3.96Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.09Å; L140-L144 WeakPolarHBondContact O-CG 3.37Å; L140-L144 PolarHBondContact O-N 3.37Å; E141-L144 PolarHBondContact O-N 2.91Å; L144-L149 PolarHBondContact O-N 2.84Å
145	L	52.3	Low	48.5	Very low	61 Å²	61	82.4 Å²	82.4	32%	0.319	40%	0.401	S	S	.	.	H	α-helix	trans	-69.4	-40.7	172.5	-76.3	166	0	0	0	111.8	E141 Y142 Y143 I147 E148 Y152	E141-L145 HydrophobicContact CG-CD1 3.84Å; E141-L145 HydrophobicContact CG-CG 4.46Å; E141-L145 VanDerWaalsContact O-CB 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.48Å; E141-L145 VanDerWaalsContact O-CG 3.28Å; E141-L145 WeakPolarHBondContact O-CG 3.29Å; E141-L145 PolarHBondContact O-N 2.8Å; Y142-L145 PolarHBondContact O-N 3.24Å; Y143-L145 VanDerWaalsContact C-N 3.35Å; L145-I147 PolarHBondContact O-N 3.33Å; L145-E148 PolarHBondContact O-N 3.47Å; L145-Y152 HydrophobicContact CD1-CD2 4.44Å
146	E	49.1	Very low	48.3	Very low	96 Å²	96	86.8 Å²	86.8	45%	0.449	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-25.2	179.4	-152.3	-158.7	166.5	0	0	113.1	Y142 Y143 E148	Y142-E146 WeakPolarHBondContact O-CB 3.41Å; Y142-E146 PolarHBondContact O-N 2.86Å; Y143-E146 PolarHBondContact O-N 2.8Å; E146-E148 VanDerWaalsContact C-N 3.31Å
147	I	52.9	Low	47.9	Very low	33 Å²	33	93.3 Å²	93.3	17%	0.169	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.5	175.4	-50.8	157.7	0	0	0	111.3	Y143 L145 L149 A225	Y143-I147 VanDerWaalsContact O-CD1 3.24Å; Y143-I147 WeakPolarHBondContact O-CD1 3.29Å; Y143-I147 WeakPolarHBondContact O-CG1 3.27Å; Y143-I147 PolarHBondContact O-N 3.41Å; L145-I147 PolarHBondContact O-N 3.33Å; I147-L149 HydrophobicContact CB-CD1 3.8Å; I147-L149 HydrophobicContact CB-CG 4.12Å; I147-L149 HydrophobicContact CD1-CD1 4.15Å; I147-L149 HydrophobicContact CG2-CD1 3.43Å; I147-L149 VanDerWaalsContact CG2-CD1 3.43Å; I147-L149 HydrophobicContact CG2-CG 3.74Å; I147-L149 PolarHBondContact O-N 3.38Å; I147-L149 VanDerWaalsContact O-N 3.09Å; I147-A225 HydrophobicContact CD1-CB 3.58Å; I147-A225 HydrophobicContact CG1-CB 4.04Å
148	E	47.9	Very low	47.5	Very low	183 Å²	183	97.1 Å²	97.1	86%	0.855	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	23	-175.1	-64	-178.4	163.7	0	0	113.8	L145 E146	L145-E148 PolarHBondContact O-N 3.47Å; E146-E148 VanDerWaalsContact C-N 3.31Å
149	L	50.8	Low	47.1	Very low	88 Å²	88	95.7 Å²	95.7	46%	0.461	46%	0.455	S	S	.	.			trans	-77.9	-23.4	-174.5	-85.1	163.3	0	0	0	113.5	L144 I147	L144-L149 PolarHBondContact O-N 2.84Å; I147-L149 HydrophobicContact CB-CD1 3.8Å; I147-L149 HydrophobicContact CB-CG 4.12Å; I147-L149 HydrophobicContact CD1-CD1 4.15Å; I147-L149 HydrophobicContact CG2-CD1 3.43Å; I147-L149 VanDerWaalsContact CG2-CD1 3.43Å; I147-L149 HydrophobicContact CG2-CG 3.74Å; I147-L149 PolarHBondContact O-N 3.38Å; I147-L149 VanDerWaalsContact O-N 3.09Å
150	V	46.7	Very low	46.8	Very low	56 Å²	56	97.9 Å²	97.9	34%	0.339	47%	0.465	S	S	.	.	S	Bend	trans	-137.4	133.9	-174.1	-172.4	0	0	0	0	110.4	H154 A155	V150-H154 HydrophobicContact CG1-CB 4.35Å; V150-A155 HydrophobicContact CG1-CB 4.33Å
151	N	42.2	Very low	46	Very low	130 Å²	130	100.2 Å²	100.2	70%	0.695	48%	0.477	S	S	*	.			trans	-76.3	138.1	176.9	-146.7	1.5	0	0	0	110.7	E153 H154 A155	N151-E153 VanDerWaalsContact C-N 3.28Å; N151-E153 PolarHBondContact O-N 2.86Å; N151-E153 VanDerWaalsContact O-N 3.15Å; N151-H154 WeakPolarHBondContact O-CB 3.34Å; N151-H154 PolarHBondContact O-N 3.44Å; N151-A155 PolarHBondContact O-N 2.9Å
152	Y	42.8	Very low	45.4	Very low	144 Å²	144	101.7 Å²	101.7	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-54	-38	-172.8	-176.3	-104.1	0	0	0	113.7	L145 H154 K156	L145-Y152 HydrophobicContact CD1-CD2 4.44Å; Y152-H154 VanDerWaalsContact C-N 3.35Å; Y152-H154 PolarHBondContact O-N 3.42Å; Y152-K156 PolarHBondContact O-N 2.89Å
153	E	41.8	Very low	44.5	Very low	133 Å²	133	101.4 Å²	101.4	62%	0.621	50%	0.498	S	S	*	.	H	α-helix	trans	-66.4	-31.7	175.9	-80.4	-163.2	142.4	0	0	114	N151 R157	N151-E153 VanDerWaalsContact C-N 3.28Å; N151-E153 PolarHBondContact O-N 2.86Å; N151-E153 VanDerWaalsContact O-N 3.15Å; E153-R157 PolarHBondContact O-N 3.43Å
154	H	43.9	Very low	43.9	Very low	100 Å²	100	101.6 Å²	101.6	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-76.1	-38.1	-179.6	-131	64.5	0	0	0	111.3	V150 N151 Y152 K156 R157 H158	V150-H154 HydrophobicContact CG1-CB 4.35Å; N151-H154 WeakPolarHBondContact O-CB 3.34Å; N151-H154 PolarHBondContact O-N 3.44Å; Y152-H154 VanDerWaalsContact C-N 3.35Å; Y152-H154 PolarHBondContact O-N 3.42Å; H154-K156 VanDerWaalsContact C-N 3.3Å; H154-K156 PolarHBondContact O-N 2.85Å; H154-R157 PolarHBondContact O-N 3.29Å; H154-H158 AromaticContact CD2-CD2 3.92Å; H154-H158 AromaticContact NE2-CD2 3.88Å; H154-H158 AromaticContact NE2-NE2 3.97Å; H154-H158 PolarHBondContact O-N 3.43Å; H154-H158 VanDerWaalsContact O-N 3.09Å
155	A	44.5	Very low	43.3	Very low	27 Å²	27	104.5 Å²	104.5	22%	0.223	51%	0.511	C	S	.	.	H	α-helix	trans	-59.5	-41.9	170.8	0	0	0	0	0	111.3	V150 N151 C159	V150-A155 HydrophobicContact CG1-CB 4.33Å; N151-A155 PolarHBondContact O-N 2.9Å; A155-C159 WeakPolarHBondContact O-CB 3.48Å; A155-C159 PolarHBondContact O-N 3.46Å
156	K	39.2	Very low	42.8	Very low	151 Å²	151	105.6 Å²	105.6	66%	0.657	52%	0.524	S	S	*	.	H	α-helix	trans	-69.4	-39.6	178.5	-159.1	176.6	-175.6	179.2	0	113.7	Y152 H154 C159	Y152-K156 PolarHBondContact O-N 2.89Å; H154-K156 VanDerWaalsContact C-N 3.3Å; H154-K156 PolarHBondContact O-N 2.85Å; K156-C159 WeakPolarHBondContact O-CB 3.25Å
157	R	39.6	Very low	42.4	Very low	201 Å²	201	105.2 Å²	105.2	76%	0.758	53%	0.525	S	S	*	.	H	α-helix	trans	-75.5	-37.1	-178.7	-83.4	-173.5	-175.2	169.3	6	114.1	E153 H154 C159	E153-R157 PolarHBondContact O-N 3.43Å; H154-R157 PolarHBondContact O-N 3.29Å; R157-C159 VanDerWaalsContact C-N 3.26Å
158	H	43.5	Very low	41.9	Very low	139 Å²	139	110.9 Å²	110.9	64%	0.644	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	14.1	177.5	-79.1	-76.9	0	0	0	112.9	H154 L160	H154-H158 AromaticContact CD2-CD2 3.92Å; H154-H158 AromaticContact NE2-CD2 3.88Å; H154-H158 AromaticContact NE2-NE2 3.97Å; H154-H158 PolarHBondContact O-N 3.43Å; H154-H158 VanDerWaalsContact O-N 3.09Å; H158-L160 PolarHBondContact O-N 3.32Å
159	C	39.8	Very low	41.6	Very low	72 Å²	72	108.6 Å²	108.6	49%	0.486	54%	0.544	S	S	.	.			trans	-58.7	111.9	-171	-167	0	0	0	0	111	A155 K156 R157 L161	A155-C159 WeakPolarHBondContact O-CB 3.48Å; A155-C159 PolarHBondContact O-N 3.46Å; K156-C159 WeakPolarHBondContact O-CB 3.25Å; R157-C159 VanDerWaalsContact C-N 3.26Å; C159-L161 PolarHBondContact O-N 3.34Å
160	L	42	Very low	41.4	Very low	90 Å²	90	106.8 Å²	106.8	47%	0.471	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-14.8	-172.7	-130.3	84.2	0	0	0	115.5	F137 H158 S162 H163 L164	F137-L160 HydrophobicContact CE1-CD2 3.81Å; F137-L160 HydrophobicContact CE2-CD2 4.33Å; F137-L160 HydrophobicContact CZ-CD2 3.64Å; H158-L160 PolarHBondContact O-N 3.32Å; L160-S162 PolarHBondContact O-N 3.37Å; L160-H163 WeakPolarHBondContact O-CA 3.43Å; L160-H163 PolarHBondContact O-N 3.42Å; L160-L164 HydrophobicContact CB-CD1 4.11Å; L160-L164 HydrophobicContact CD2-CD1 4.12Å; L160-L164 HydrophobicContact CD2-CG 4.39Å; L160-L164 HydrophobicContact CG-CD1 4.49Å; L160-L164 PolarHBondContact O-N 2.95Å
161	L	34.1	Very low	41.4	Very low	97 Å²	97	107.9 Å²	107.9	51%	0.508	54%	0.539	S	S	.	.	H	α-helix	trans	-57.1	-35.3	-176.2	-150	80.7	0	0	0	112	C159 F165	C159-L161 PolarHBondContact O-N 3.34Å; L161-F165 HydrophobicContact CG-CE2 4.13Å; L161-F165 WeakPolarHBondContact O-CD2 3.34Å; L161-F165 WeakPolarHBondContact O-CE2 3.49Å
162	S	38.1	Very low	41.5	Very low	101 Å²	101	106 Å²	106	71%	0.706	53%	0.528	S	S	*	.	H	α-helix	trans	-75.9	-25.1	175.7	110.7	0	0	0	0	113.4	L160	L160-S162 PolarHBondContact O-N 3.37Å
163	H	37.6	Very low	41.9	Very low	131 Å²	131	103.1 Å²	103.1	61%	0.606	52%	0.52	S	S	*	.	H	α-helix	trans	-87.8	-25.5	-177.3	-138.7	57.4	0	0	0	112.1	L160 S166	L160-H163 WeakPolarHBondContact O-CA 3.43Å; L160-H163 PolarHBondContact O-N 3.42Å; H163-S166 PolarHBondContact O-OG 2.83Å
164	L	39.2	Very low	42.1	Very low	33 Å²	33	100.8 Å²	100.8	17%	0.173	51%	0.51	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175.1	-89.2	150.2	0	0	0	112.5	L133 F137 L160 S166 N167	L133-L164 HydrophobicContact CD2-CD2 4.12Å; F137-L164 HydrophobicContact CD2-CD1 4.37Å; F137-L164 HydrophobicContact CE2-CD1 3.77Å; F137-L164 HydrophobicContact CE2-CD2 4.46Å; F137-L164 HydrophobicContact CZ-CD1 4.42Å; L160-L164 HydrophobicContact CB-CD1 4.11Å; L160-L164 HydrophobicContact CD2-CD1 4.12Å; L160-L164 HydrophobicContact CD2-CG 4.39Å; L160-L164 HydrophobicContact CG-CD1 4.49Å; L160-L164 PolarHBondContact O-N 2.95Å; L164-S166 PolarHBondContact O-N 3.49Å; L164-N167 PolarHBondContact O-N 2.86Å
165	F	42	Very low	42.3	Very low	128 Å²	128	101.1 Å²	101.1	56%	0.561	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	-178.2	-68.9	-64.5	0	0	0	114.3	L161 F170	L161-F165 HydrophobicContact CG-CE2 4.13Å; L161-F165 WeakPolarHBondContact O-CD2 3.34Å; L161-F165 WeakPolarHBondContact O-CE2 3.49Å; F165-F170 HydrophobicContact CD1-CE1 4.33Å; F165-F170 HydrophobicContact CE1-CE1 4.21Å
166	S	40.6	Very low	42.7	Very low	84 Å²	84	101.2 Å²	101.2	59%	0.587	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.8	174.1	38.8	0	0	0	0	114.2	H163 L164	H163-S166 PolarHBondContact O-OG 2.83Å; L164-S166 PolarHBondContact O-N 3.49Å
167	N	41.8	Very low	43.3	Very low	89 Å²	89	95.5 Å²	95.5	48%	0.476	50%	0.495	S	S	.	.			trans	-89.9	117.1	-174.5	-100.5	-29.7	0	0	0	111.9	L164 L169 F170	L164-N167 PolarHBondContact O-N 2.86Å; N167-L169 PolarHBondContact O-N 3.09Å; N167-L169 VanDerWaalsContact O-N 3.14Å; N167-F170 WeakPolarHBondContact O-CB 3.3Å; N167-F170 PolarHBondContact O-N 3.38Å
168	Q	41	Very low	43.6	Very low	152 Å²	152	92.3 Å²	92.3	71%	0.71	49%	0.487	S	S	*	.	H	α-helix	trans	-50.2	-36.2	173.3	-168.2	171.7	-6.9	0	0	112.3	F170 V171 D172	Q168-F170 VanDerWaalsContact C-N 3.3Å; Q168-F170 PolarHBondContact O-N 2.85Å; Q168-V171 PolarHBondContact O-N 3.02Å; Q168-V171 VanDerWaalsContact O-N 3.17Å; Q168-D172 VanDerWaalsContact O-CG 3.26Å; Q168-D172 PolarHBondContact O-N 2.85Å
169	L	43.7	Very low	44	Very low	135 Å²	135	91 Å²	91	71%	0.707	48%	0.484	S	S	*	.	H	α-helix	trans	-54.9	-37.5	173.4	-89.7	156.1	0	0	0	114.3	N167 H173	N167-L169 PolarHBondContact O-N 3.09Å; N167-L169 VanDerWaalsContact O-N 3.14Å; L169-H173 WeakPolarHBondContact O-CB 3.27Å; L169-H173 PolarHBondContact O-N 3.08Å
170	F	44.6	Very low	44.7	Very low	50 Å²	50	90.7 Å²	90.7	22%	0.219	47%	0.474	C	S	.	.	H	α-helix	trans	-72	-42.3	178.6	177.5	-108.3	0	0	0	111	L133 F165 N167 Q168 H173 M174	L133-F170 HydrophobicContact CD1-CD2 4.12Å; L133-F170 HydrophobicContact CD1-CE2 3.5Å; L133-F170 HydrophobicContact CD1-CZ 4.5Å; F165-F170 HydrophobicContact CD1-CE1 4.33Å; F165-F170 HydrophobicContact CE1-CE1 4.21Å; N167-F170 WeakPolarHBondContact O-CB 3.3Å; N167-F170 PolarHBondContact O-N 3.38Å; Q168-F170 VanDerWaalsContact C-N 3.3Å; Q168-F170 PolarHBondContact O-N 2.85Å; F170-H173 PolarHBondContact O-N 3.48Å; F170-M174 HydrophobicContact CD1-CG 4.31Å; F170-M174 HydrophobicContact CD2-CG 4.32Å; F170-M174 HydrophobicContact CE1-CG 3.84Å; F170-M174 HydrophobicContact CE2-CG 3.81Å; F170-M174 HydrophobicContact CE2-SD 4.02Å; F170-M174 HydrophobicContact CZ-CG 3.57Å; F170-M174 HydrophobicContact CZ-SD 3.82Å; F170-M174 WeakPolarHBondContact O-CB 3.41Å; F170-M174 VanDerWaalsContact O-CG 3.3Å; F170-M174 WeakPolarHBondContact O-CG 3.47Å; F170-M174 PolarHBondContact O-N 2.89Å
171	V	46.7	Very low	45.1	Very low	78 Å²	78	89.7 Å²	89.7	47%	0.473	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-45.8	175.9	179.7	0	0	0	0	110.2	Q168 H173 M174 L175	Q168-V171 PolarHBondContact O-N 3.02Å; Q168-V171 VanDerWaalsContact O-N 3.17Å; V171-H173 VanDerWaalsContact C-N 3.33Å; V171-H173 PolarHBondContact O-N 2.91Å; V171-M174 PolarHBondContact O-N 3.4Å; V171-L175 WeakPolarHBondContact O-CB 3.47Å; V171-L175 PolarHBondContact O-N 3.49Å
172	D	46	Very low	45.7	Very low	90 Å²	90	87 Å²	87	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-61.4	-41.1	178	-67.9	-21.6	0	0	0	111.6	Q168 L175 G176	Q168-D172 VanDerWaalsContact O-CG 3.26Å; Q168-D172 PolarHBondContact O-N 2.85Å; D172-L175 PolarHBondContact O-N 3.41Å; D172-G176 PolarHBondContact O-N 3.32Å
173	H	50.6	Low	46.3	Very low	84 Å²	84	86.2 Å²	86.2	39%	0.389	45%	0.449	S	S	.	.	H	α-helix	trans	-66.3	-44.5	176.9	-169.2	25.2	0	0	0	112	L169 F170 V171 L175 G176 M177	L169-H173 WeakPolarHBondContact O-CB 3.27Å; L169-H173 PolarHBondContact O-N 3.08Å; F170-H173 PolarHBondContact O-N 3.48Å; V171-H173 VanDerWaalsContact C-N 3.33Å; V171-H173 PolarHBondContact O-N 2.91Å; H173-L175 VanDerWaalsContact C-N 3.32Å; H173-L175 PolarHBondContact O-N 3.26Å; H173-G176 PolarHBondContact O-N 2.87Å; H173-M177 WeakPolarHBondContact O-CB 3.35Å; H173-M177 WeakPolarHBondContact O-CG 3.19Å; H173-M177 PolarHBondContact O-N 2.92Å
174	M	45	Very low	46.9	Very low	84 Å²	84	82 Å²	82	41%	0.414	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-41.1	175.1	-73	-62.8	-62.9	0	0	111.8	F170 V171 M177 F178	F170-M174 HydrophobicContact CD1-CG 4.31Å; F170-M174 HydrophobicContact CD2-CG 4.32Å; F170-M174 HydrophobicContact CE1-CG 3.84Å; F170-M174 HydrophobicContact CE2-CG 3.81Å; F170-M174 HydrophobicContact CE2-SD 4.02Å; F170-M174 HydrophobicContact CZ-CG 3.57Å; F170-M174 HydrophobicContact CZ-SD 3.82Å; F170-M174 WeakPolarHBondContact O-CB 3.41Å; F170-M174 VanDerWaalsContact O-CG 3.3Å; F170-M174 WeakPolarHBondContact O-CG 3.47Å; F170-M174 PolarHBondContact O-N 2.89Å; V171-M174 PolarHBondContact O-N 3.4Å; M174-M177 PolarHBondContact O-N 3.23Å; M174-F178 WeakPolarHBondContact O-CB 3.34Å; M174-F178 PolarHBondContact O-N 2.93Å
175	L	48.3	Very low	47.3	Very low	107 Å²	107	83.6 Å²	83.6	56%	0.56	44%	0.443	S	S	*	.	H	α-helix	trans	-64.8	-45.4	177	-142.3	101	0	0	0	111.1	V171 D172 H173 M177 F178 L179	V171-L175 WeakPolarHBondContact O-CB 3.47Å; V171-L175 PolarHBondContact O-N 3.49Å; D172-L175 PolarHBondContact O-N 3.41Å; H173-L175 VanDerWaalsContact C-N 3.32Å; H173-L175 PolarHBondContact O-N 3.26Å; L175-M177 VanDerWaalsContact C-N 3.32Å; L175-M177 PolarHBondContact O-N 3.44Å; L175-F178 PolarHBondContact O-N 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 PolarHBondContact O-N 3.17Å
176	G	52.9	Low	47.5	Very low	30 Å²	30	82.2 Å²	82.2	31%	0.309	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-39.9	176.6	0	0	0	0	0	112.3	D172 H173 L179 K180	D172-G176 PolarHBondContact O-N 3.32Å; H173-G176 PolarHBondContact O-N 2.87Å; G176-L179 PolarHBondContact O-N 3.18Å; G176-K180 WeakPolarHBondContact O-CB 3.41Å; G176-K180 WeakPolarHBondContact O-CG 3.47Å; G176-K180 PolarHBondContact O-N 3.28Å
177	M	52.2	Low	47.9	Very low	30 Å²	30	78.7 Å²	78.7	15%	0.148	42%	0.415	C	S	.	.	H	α-helix	trans	-66.3	-46.2	175.9	-75.2	-56.6	-52.6	0	0	112.1	L129 H173 M174 L175 L179 K180 T181 Q206	L129-M177 HydrophobicContact CD2-CE 3.28Å; L129-M177 HydrophobicContact CD2-SD 4.28Å; H173-M177 WeakPolarHBondContact O-CB 3.35Å; H173-M177 WeakPolarHBondContact O-CG 3.19Å; H173-M177 PolarHBondContact O-N 2.92Å; M174-M177 PolarHBondContact O-N 3.23Å; L175-M177 VanDerWaalsContact C-N 3.32Å; L175-M177 PolarHBondContact O-N 3.44Å; M177-L179 VanDerWaalsContact C-N 3.27Å; M177-L179 PolarHBondContact O-N 2.91Å; M177-K180 PolarHBondContact O-N 2.96Å; M177-T181 PolarHBondContact O-N 3.34Å; M177-T181 PolarHBondContact O-OG1 2.82Å; M177-T181 VanDerWaalsContact O-OG1 3.13Å; M177-Q206 PolarHBondContact SD-NE2 3.47Å
178	F	46.7	Very low	48.2	Very low	135 Å²	135	78.3 Å²	78.3	59%	0.592	42%	0.416	S	S	*	.	H	α-helix	trans	-59.4	-39.7	176.2	-170.4	-91.6	0	0	0	112	M174 L175 T181 S182	M174-F178 WeakPolarHBondContact O-CB 3.34Å; M174-F178 PolarHBondContact O-N 2.93Å; L175-F178 PolarHBondContact O-N 3.28Å; F178-T181 WeakPolarHBondContact CA-OG1 3.47Å; F178-T181 PolarHBondContact O-OG1 3.43Å; F178-S182 WeakPolarHBondContact O-CB 3.48Å; F178-S182 PolarHBondContact O-N 2.91Å; F178-S182 PolarHBondContact O-OG 3.33Å
179	L	51.2	Low	48.3	Very low	112 Å²	112	75.1 Å²	75.1	59%	0.586	41%	0.407	S	S	*	.	H	α-helix	trans	-65.6	-46.1	175.9	-161.1	77.9	0	0	0	111.3	L175 G176 M177 T181 S182 L183	L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 PolarHBondContact O-N 3.17Å; G176-L179 PolarHBondContact O-N 3.18Å; M177-L179 VanDerWaalsContact C-N 3.27Å; M177-L179 PolarHBondContact O-N 2.91Å; L179-T181 PolarHBondContact O-N 3.3Å; L179-S182 PolarHBondContact O-N 3.24Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.13Å
180	K	54.5	Low	48.6	Very low	65 Å²	65	70.1 Å²	70.1	28%	0.283	38%	0.384	S	S	.	.	H	α-helix	trans	-59.8	-42.5	176.6	-74.5	-176.9	-176.5	-162.5	0	111.7	G176 M177 F184 E205	G176-K180 WeakPolarHBondContact O-CB 3.41Å; G176-K180 WeakPolarHBondContact O-CG 3.47Å; G176-K180 PolarHBondContact O-N 3.28Å; M177-K180 PolarHBondContact O-N 2.96Å; K180-F184 WeakPolarHBondContact O-CB 3.41Å; K180-F184 PolarHBondContact O-N 2.89Å; K180-E205 IonicContact NZ-OE1 3.83Å; K180-E205 PolarHBondContact NZ-OE1 3.46Å; K180-E205 IonicContact NZ-OE2 2.88Å; K180-E205 PolarHBondContact NZ-OE2 3.26Å
181	T	49.7	Very low	48.7	Very low	68 Å²	68	77.6 Å²	77.6	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-70.4	-33.9	176.4	52	0	0	0	0	113	M177 F178 L179 F184 S185	M177-T181 PolarHBondContact O-N 3.34Å; M177-T181 PolarHBondContact O-OG1 2.82Å; M177-T181 VanDerWaalsContact O-OG1 3.13Å; F178-T181 WeakPolarHBondContact CA-OG1 3.47Å; F178-T181 PolarHBondContact O-OG1 3.43Å; L179-T181 PolarHBondContact O-N 3.3Å; T181-F184 WeakPolarHBondContact O-CB 3.32Å; T181-F184 PolarHBondContact O-N 3.42Å; T181-S185 PolarHBondContact O-N 3.12Å
182	S	47.6	Very low	49	Very low	41 Å²	41	81.8 Å²	81.8	29%	0.287	43%	0.425	S	S	.	.	H	α-helix	trans	-68.2	-44.7	175.9	-60.3	0	0	0	0	111.2	F178 L179 F184 S185 I186	F178-S182 WeakPolarHBondContact O-CB 3.48Å; F178-S182 PolarHBondContact O-N 2.91Å; F178-S182 PolarHBondContact O-OG 3.33Å; L179-S182 PolarHBondContact O-N 3.24Å; S182-F184 VanDerWaalsContact C-N 3.27Å; S182-F184 PolarHBondContact O-N 3.32Å; S182-S185 WeakPolarHBondContact O-CB 3.4Å; S182-S185 PolarHBondContact O-N 3.39Å; S182-I186 WeakPolarHBondContact O-CG1 3.37Å; S182-I186 PolarHBondContact O-N 2.96Å
183	L	50.5	Low	49.2	Very low	84 Å²	84	80.8 Å²	80.8	44%	0.44	43%	0.429	S	S	.	.	H	α-helix	trans	-57.7	-39.8	172.3	-87.3	153.5	0	0	0	111.9	L179 I186 S187	L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.13Å; L183-I186 PolarHBondContact O-N 3.18Å; L183-S187 WeakPolarHBondContact O-CB 3.45Å; L183-S187 PolarHBondContact O-N 2.63Å
184	F	49.4	Very low	49.2	Very low	44 Å²	44	85.2 Å²	85.2	19%	0.193	44%	0.443	C	S	.	.	H	α-helix	trans	-61.3	-46.3	174.6	-178	-79.6	0	0	0	112.5	L122 K180 T181 S182 I186 S187 T188 F199 L203	L122-F184 HydrophobicContact CD1-CE1 4.05Å; L122-F184 HydrophobicContact CD1-CE2 3.95Å; L122-F184 HydrophobicContact CD1-CZ 3.56Å; L122-F184 HydrophobicContact CD2-CD1 4.29Å; L122-F184 HydrophobicContact CD2-CE1 3.3Å; L122-F184 HydrophobicContact CD2-CZ 3.49Å; L122-F184 VanDerWaalsContact CD2-CZ 3.49Å; L122-F184 HydrophobicContact CG-CE1 4.32Å; L122-F184 HydrophobicContact CG-CZ 4.13Å; K180-F184 WeakPolarHBondContact O-CB 3.41Å; K180-F184 PolarHBondContact O-N 2.89Å; T181-F184 WeakPolarHBondContact O-CB 3.32Å; T181-F184 PolarHBondContact O-N 3.42Å; S182-F184 VanDerWaalsContact C-N 3.27Å; S182-F184 PolarHBondContact O-N 3.32Å; F184-I186 VanDerWaalsContact C-N 3.33Å; F184-I186 PolarHBondContact O-N 3.37Å; F184-S187 PolarHBondContact O-N 2.67Å; F184-T188 HydrophobicContact CD1-CG2 4.37Å; F184-T188 HydrophobicContact CE1-CG2 4.11Å; F184-T188 WeakPolarHBondContact O-CG2 3.41Å; F184-T188 PolarHBondContact O-N 3.12Å; F184-T188 VanDerWaalsContact O-N 3.08Å; F184-T188 PolarHBondContact O-OG1 2.95Å; F184-F199 HydrophobicContact CD1-CE2 4.3Å; F184-F199 AromaticContact CD2-CD2 3.41Å; F184-F199 HydrophobicContact CD2-CD2 3.41Å; F184-F199 VanDerWaalsContact CD2-CD2 3.41Å; F184-F199 AromaticContact CD2-CE2 3.26Å; F184-F199 HydrophobicContact CD2-CE2 3.26Å; F184-F199 HydrophobicContact CD2-CZ 4.23Å; F184-F199 AromaticContact CE1-CE2 3.97Å; F184-F199 HydrophobicContact CE1-CE2 3.97Å; F184-F199 AromaticContact CE2-CD2 3.57Å; F184-F199 HydrophobicContact CE2-CD2 3.57Å; F184-F199 AromaticContact CE2-CE2 2.88Å; F184-F199 HydrophobicContact CE2-CE2 2.88Å; F184-F199 AromaticContact CE2-CZ 3.48Å; F184-F199 HydrophobicContact CE2-CZ 3.48Å; F184-F199 VanDerWaalsContact CE2-CZ 3.48Å; F184-F199 HydrophobicContact CG-CD2 4.08Å; F184-F199 AromaticContact CG-CE2 3.98Å; F184-F199 HydrophobicContact CG-CE2 3.98Å; F184-F199 HydrophobicContact CZ-CD2 4.27Å; F184-F199 AromaticContact CZ-CE2 3.27Å; F184-F199 HydrophobicContact CZ-CE2 3.27Å; F184-F199 AromaticContact CZ-CZ 3.78Å; F184-F199 HydrophobicContact CZ-CZ 3.78Å; F184-L203 HydrophobicContact CE2-CD1 4.44Å
185	S	47.4	Very low	49.4	Very low	66 Å²	66	83.3 Å²	83.3	46%	0.462	43%	0.434	S	S	.	.	H	α-helix	trans	-59.9	-42.7	175.4	-177.1	0	0	0	0	111.6	T181 S182 T188 T189	T181-S185 PolarHBondContact O-N 3.12Å; S182-S185 WeakPolarHBondContact O-CB 3.4Å; S182-S185 PolarHBondContact O-N 3.39Å; S185-T188 PolarHBondContact O-OG1 3.46Å; S185-T189 WeakPolarHBondContact O-CG2 3.45Å; S185-T189 PolarHBondContact O-N 2.87Å; S185-T189 PolarHBondContact O-OG1 3.44Å
186	I	47.9	Very low	49.6	Very low	98 Å²	98	82.5 Å²	82.5	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-67.9	-44.1	179.7	-65.4	165.2	0	0	0	110.6	S182 L183 F184 T188 T189 S190	S182-I186 WeakPolarHBondContact O-CG1 3.37Å; S182-I186 PolarHBondContact O-N 2.96Å; L183-I186 PolarHBondContact O-N 3.18Å; F184-I186 VanDerWaalsContact C-N 3.33Å; F184-I186 PolarHBondContact O-N 3.37Å; I186-T188 PolarHBondContact O-N 2.89Å; I186-T189 PolarHBondContact O-N 3.26Å; I186-T189 PolarHBondContact O-OG1 3.5Å; I186-S190 VanDerWaalsContact O-CB 3.23Å; I186-S190 WeakPolarHBondContact O-CB 3.47Å; I186-S190 PolarHBondContact O-N 2.89Å; I186-S190 VanDerWaalsContact O-N 3.14Å; I186-S190 PolarHBondContact O-OG 3.06Å
187	S	48.2	Very low	49.6	Very low	10 Å²	10	84.2 Å²	84.2	7%	0.07	44%	0.435	C	S	.	.	H	α-helix	trans	-59.4	-46.8	178.9	-176.8	0	0	0	0	112.6	L183 F184 T189 S190 L195 E196	L183-S187 WeakPolarHBondContact O-CB 3.45Å; L183-S187 PolarHBondContact O-N 2.63Å; F184-S187 PolarHBondContact O-N 2.67Å; S187-T189 VanDerWaalsContact C-N 3.28Å; S187-T189 PolarHBondContact O-N 3.43Å; S187-S190 PolarHBondContact O-N 3.47Å; S187-S190 PolarHBondContact O-OG 2.9Å; S187-L195 PolarHBondContact OG-O 3.37Å; S187-E196 PolarHBondContact OG-N 2.87Å
188	T	48.8	Very low	49.6	Very low	82 Å²	82	86.1 Å²	86.1	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-32	-179.8	52.1	0	0	0	0	112.5	F184 S185 I186 F199	F184-T188 HydrophobicContact CD1-CG2 4.37Å; F184-T188 HydrophobicContact CE1-CG2 4.11Å; F184-T188 WeakPolarHBondContact O-CG2 3.41Å; F184-T188 PolarHBondContact O-N 3.12Å; F184-T188 VanDerWaalsContact O-N 3.08Å; F184-T188 PolarHBondContact O-OG1 2.95Å; S185-T188 PolarHBondContact O-OG1 3.46Å; I186-T188 PolarHBondContact O-N 2.89Å; T188-F199 HydrophobicContact CG2-CD2 4.28Å; T188-F199 HydrophobicContact CG2-CE2 3.72Å
189	T	43.2	Very low	49.8	Very low	84 Å²	84	81.7 Å²	81.7	52%	0.515	43%	0.426	S	S	.	.	H	α-helix	trans	-77.5	-23	176.3	55.3	0	0	0	0	114.9	S185 I186 S187	S185-T189 WeakPolarHBondContact O-CG2 3.45Å; S185-T189 PolarHBondContact O-N 2.87Å; S185-T189 PolarHBondContact O-OG1 3.44Å; I186-T189 PolarHBondContact O-N 3.26Å; I186-T189 PolarHBondContact O-OG1 3.5Å; S187-T189 VanDerWaalsContact C-N 3.28Å; S187-T189 PolarHBondContact O-N 3.43Å
190	S	49.5	Very low	49.9	Very low	31 Å²	31	81 Å²	81	22%	0.217	42%	0.418	C	S	.	.	H	α-helix	trans	-97	-8.7	-160.6	62.5	0	0	0	0	115.3	I186 S187 Y192	I186-S190 VanDerWaalsContact O-CB 3.23Å; I186-S190 WeakPolarHBondContact O-CB 3.47Å; I186-S190 PolarHBondContact O-N 2.89Å; I186-S190 VanDerWaalsContact O-N 3.14Å; I186-S190 PolarHBondContact O-OG 3.06Å; S187-S190 PolarHBondContact O-N 3.47Å; S187-S190 PolarHBondContact O-OG 2.9Å; S190-Y192 WeakPolarHBondContact O-CD2 3.3Å; S190-Y192 PolarHBondContact O-N 2.9Å
191	K	46.9	Very low	49.7	Very low	206 Å²	206	82.3 Å²	82.3	90%	0.896	43%	0.434	S	S	*	.			trans	51.2	13.5	-178.5	-70.5	-169.2	178	-176	0	115.6
192	Y	52.1	Low	49.9	Very low	166 Å²	166	80.8 Å²	80.8	65%	0.651	43%	0.425	S	S	*	.			trans	-84.8	121.7	177.4	-78.3	-81.7	0	0	0	111.1	S190 Y194 L195 E196	S190-Y192 WeakPolarHBondContact O-CD2 3.3Å; S190-Y192 PolarHBondContact O-N 2.9Å; Y192-Y194 PolarHBondContact O-N 3.47Å; Y192-L195 WeakPolarHBondContact O-CB 3.25Å; Y192-L195 PolarHBondContact O-N 2.79Å; Y192-L195 VanDerWaalsContact O-N 3.09Å; Y192-E196 PolarHBondContact O-N 3.32Å
193	A	49.9	Very low	50.2	Low	69 Å²	69	81.9 Å²	81.9	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-59.1	-30.3	-177	0	0	0	0	0	114.3	E196 S197	A193-E196 WeakPolarHBondContact O-CB 3.3Å; A193-E196 PolarHBondContact O-N 2.95Å; A193-S197 PolarHBondContact O-N 3.16Å; A193-S197 PolarHBondContact O-OG 3.17Å; A193-S197 VanDerWaalsContact O-OG 3.06Å
194	Y	51.5	Low	50.4	Low	178 Å²	178	82.1 Å²	82.1	70%	0.698	43%	0.427	S	S	*	.	H	α-helix	trans	-68.8	-43.9	175.9	-175.2	-102.6	0	0	0	111.8	Y192 E196 S197 I198	Y192-Y194 PolarHBondContact O-N 3.47Å; Y194-E196 VanDerWaalsContact C-N 3.31Å; Y194-E196 PolarHBondContact O-N 3.32Å; Y194-S197 WeakPolarHBondContact O-CB 3.32Å; Y194-S197 PolarHBondContact O-N 3.27Å; Y194-S197 VanDerWaalsContact O-N 3.16Å; Y194-I198 HydrophobicContact CD1-CD1 3.89Å; Y194-I198 HydrophobicContact CE1-CD1 3.43Å; Y194-I198 VanDerWaalsContact CE1-CD1 3.43Å; Y194-I198 HydrophobicContact CE1-CG1 4.31Å; Y194-I198 PolarHBondContact O-N 3.43Å; Y194-I198 VanDerWaalsContact O-N 3.09Å
195	L	49.5	Very low	50.6	Low	43 Å²	43	84.8 Å²	84.8	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-38.6	173.2	-94.2	136.2	0	0	0	110.8	S187 Y192 S197 I198 F199	S187-L195 PolarHBondContact OG-O 3.37Å; Y192-L195 WeakPolarHBondContact O-CB 3.25Å; Y192-L195 PolarHBondContact O-N 2.79Å; Y192-L195 VanDerWaalsContact O-N 3.09Å; L195-S197 VanDerWaalsContact C-N 3.28Å; L195-S197 PolarHBondContact O-N 3.03Å; L195-I198 PolarHBondContact O-N 3.33Å; L195-F199 VanDerWaalsContact O-CB 3.3Å; L195-F199 WeakPolarHBondContact O-CB 3.26Å; L195-F199 PolarHBondContact O-N 3.41Å
196	E	51.8	Low	51	Low	90 Å²	90	83.2 Å²	83.2	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-60.7	-34.6	173.4	-162	-165.1	145.3	0	0	112.9	S187 Y192 A193 Y194 F199 K200	S187-E196 PolarHBondContact OG-N 2.87Å; Y192-E196 PolarHBondContact O-N 3.32Å; A193-E196 WeakPolarHBondContact O-CB 3.3Å; A193-E196 PolarHBondContact O-N 2.95Å; Y194-E196 VanDerWaalsContact C-N 3.31Å; Y194-E196 PolarHBondContact O-N 3.32Å; E196-F199 WeakPolarHBondContact O-CB 3.5Å; E196-F199 PolarHBondContact O-N 3.12Å; E196-K200 WeakPolarHBondContact O-CG 3.39Å; E196-K200 PolarHBondContact O-N 3.1Å; E196-K200 WeakPolarHBondContact OE1-CE 3.14Å; E196-K200 IonicContact OE1-NZ 2.84Å; E196-K200 PolarHBondContact OE1-NZ 3.36Å
197	S	53	Low	51.2	Low	66 Å²	66	82.1 Å²	82.1	46%	0.462	42%	0.42	S	S	.	.	H	α-helix	trans	-71.7	-43.2	176.6	-61	0	0	0	0	111.8	A193 Y194 L195 F199 K200 C201	A193-S197 PolarHBondContact O-N 3.16Å; A193-S197 PolarHBondContact O-OG 3.17Å; A193-S197 VanDerWaalsContact O-OG 3.06Å; Y194-S197 WeakPolarHBondContact O-CB 3.32Å; Y194-S197 PolarHBondContact O-N 3.27Å; Y194-S197 VanDerWaalsContact O-N 3.16Å; L195-S197 VanDerWaalsContact C-N 3.28Å; L195-S197 PolarHBondContact O-N 3.03Å; S197-F199 PolarHBondContact O-N 3.23Å; S197-K200 PolarHBondContact O-N 2.97Å; S197-C201 PolarHBondContact O-N 3.12Å
198	I	52	Low	51.4	Low	70 Å²	70	86 Å²	86	36%	0.359	44%	0.439	S	S	.	.	H	α-helix	trans	-60.2	-39.9	172.6	-67.5	173.7	0	0	0	110.2	Y194 L195 C201 T202	Y194-I198 HydrophobicContact CD1-CD1 3.89Å; Y194-I198 HydrophobicContact CE1-CD1 3.43Å; Y194-I198 VanDerWaalsContact CE1-CD1 3.43Å; Y194-I198 HydrophobicContact CE1-CG1 4.31Å; Y194-I198 PolarHBondContact O-N 3.43Å; Y194-I198 VanDerWaalsContact O-N 3.09Å; L195-I198 PolarHBondContact O-N 3.33Å; I198-C201 PolarHBondContact O-N 3.22Å; I198-T202 PolarHBondContact O-N 3.32Å; I198-T202 PolarHBondContact O-OG1 3.34Å
199	F	51.6	Low	51.6	Low	42 Å²	42	86.3 Å²	86.3	18%	0.184	43%	0.432	C	S	.	.	H	α-helix	trans	-59.4	-47.3	173.5	167.4	-81.1	0	0	0	112.2	F184 T188 L195 E196 S197 C201 T202 L203	F184-F199 HydrophobicContact CD1-CE2 4.3Å; F184-F199 AromaticContact CD2-CD2 3.41Å; F184-F199 HydrophobicContact CD2-CD2 3.41Å; F184-F199 VanDerWaalsContact CD2-CD2 3.41Å; F184-F199 AromaticContact CD2-CE2 3.26Å; F184-F199 HydrophobicContact CD2-CE2 3.26Å; F184-F199 HydrophobicContact CD2-CZ 4.23Å; F184-F199 AromaticContact CE1-CE2 3.97Å; F184-F199 HydrophobicContact CE1-CE2 3.97Å; F184-F199 AromaticContact CE2-CD2 3.57Å; F184-F199 HydrophobicContact CE2-CD2 3.57Å; F184-F199 AromaticContact CE2-CE2 2.88Å; F184-F199 HydrophobicContact CE2-CE2 2.88Å; F184-F199 AromaticContact CE2-CZ 3.48Å; F184-F199 HydrophobicContact CE2-CZ 3.48Å; F184-F199 VanDerWaalsContact CE2-CZ 3.48Å; F184-F199 HydrophobicContact CG-CD2 4.08Å; F184-F199 AromaticContact CG-CE2 3.98Å; F184-F199 HydrophobicContact CG-CE2 3.98Å; F184-F199 HydrophobicContact CZ-CD2 4.27Å; F184-F199 AromaticContact CZ-CE2 3.27Å; F184-F199 HydrophobicContact CZ-CE2 3.27Å; F184-F199 AromaticContact CZ-CZ 3.78Å; F184-F199 HydrophobicContact CZ-CZ 3.78Å; T188-F199 HydrophobicContact CG2-CD2 4.28Å; T188-F199 HydrophobicContact CG2-CE2 3.72Å; L195-F199 VanDerWaalsContact O-CB 3.3Å; L195-F199 WeakPolarHBondContact O-CB 3.26Å; L195-F199 PolarHBondContact O-N 3.41Å; E196-F199 WeakPolarHBondContact O-CB 3.5Å; E196-F199 PolarHBondContact O-N 3.12Å; S197-F199 PolarHBondContact O-N 3.23Å; F199-C201 VanDerWaalsContact C-N 3.31Å; F199-C201 PolarHBondContact O-N 3.43Å; F199-T202 WeakPolarHBondContact CA-OG1 3.5Å; F199-T202 PolarHBondContact O-N 3.33Å; F199-T202 PolarHBondContact O-OG1 3.08Å; F199-T202 VanDerWaalsContact O-OG1 3.12Å; F199-L203 HydrophobicContact CE1-CD2 4.15Å; F199-L203 HydrophobicContact CZ-CD2 4.48Å; F199-L203 VanDerWaalsContact O-CB 3.25Å; F199-L203 WeakPolarHBondContact O-CB 3.36Å; F199-L203 PolarHBondContact O-N 3.23Å
200	K	52.8	Low	52	Low	99 Å²	99	83.5 Å²	83.5	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-40.1	178.6	-75.7	172.3	-173.8	163.6	0	111.5	E196 S197 M204	E196-K200 WeakPolarHBondContact O-CG 3.39Å; E196-K200 PolarHBondContact O-N 3.1Å; E196-K200 WeakPolarHBondContact OE1-CE 3.14Å; E196-K200 IonicContact OE1-NZ 2.84Å; E196-K200 PolarHBondContact OE1-NZ 3.36Å; S197-K200 PolarHBondContact O-N 2.97Å; K200-M204 WeakPolarHBondContact O-CB 3.42Å; K200-M204 VanDerWaalsContact O-CG 3.27Å; K200-M204 WeakPolarHBondContact O-CG 3.3Å; K200-M204 PolarHBondContact O-N 3.33Å
201	C	51.5	Low	52.1	Low	92 Å²	92	86.1 Å²	86.1	62%	0.622	42%	0.423	S	S	*	.	H	α-helix	trans	-65.7	-47.5	176	-71.2	0	0	0	0	112.4	S197 I198 F199 M204 E205	S197-C201 PolarHBondContact O-N 3.12Å; I198-C201 PolarHBondContact O-N 3.22Å; F199-C201 VanDerWaalsContact C-N 3.31Å; F199-C201 PolarHBondContact O-N 3.43Å; C201-M204 PolarHBondContact O-N 2.83Å; C201-E205 PolarHBondContact O-N 3.16Å
202	T	53	Low	52.3	Low	35 Å²	35	80.4 Å²	80.4	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-37.9	178.9	38.4	0	0	0	0	112.1	I198 F199 E205 Q206	I198-T202 PolarHBondContact O-N 3.32Å; I198-T202 PolarHBondContact O-OG1 3.34Å; F199-T202 WeakPolarHBondContact CA-OG1 3.5Å; F199-T202 PolarHBondContact O-N 3.33Å; F199-T202 PolarHBondContact O-OG1 3.08Å; F199-T202 VanDerWaalsContact O-OG1 3.12Å; T202-E205 PolarHBondContact O-N 3.36Å; T202-Q206 WeakPolarHBondContact O-CG 3.42Å; T202-Q206 PolarHBondContact O-N 2.94Å
203	L	54.6	Low	52.2	Low	64 Å²	64	73.3 Å²	73.3	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-42.7	173.5	-174	70.4	0	0	0	111.8	F184 F199 Q206 I207	F184-L203 HydrophobicContact CE2-CD1 4.44Å; F199-L203 HydrophobicContact CE1-CD2 4.15Å; F199-L203 HydrophobicContact CZ-CD2 4.48Å; F199-L203 VanDerWaalsContact O-CB 3.25Å; F199-L203 WeakPolarHBondContact O-CB 3.36Å; F199-L203 PolarHBondContact O-N 3.23Å; L203-Q206 PolarHBondContact O-N 2.8Å; L203-I207 HydrophobicContact CG-CD1 4.11Å; L203-I207 WeakPolarHBondContact O-CG1 3.36Å; L203-I207 PolarHBondContact O-N 3.48Å
204	M	53.3	Low	52	Low	90 Å²	90	73.3 Å²	73.3	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176	-79.1	-71.4	173.4	0	0	112.3	K200 C201 Q206 I207 I208	K200-M204 WeakPolarHBondContact O-CB 3.42Å; K200-M204 VanDerWaalsContact O-CG 3.27Å; K200-M204 WeakPolarHBondContact O-CG 3.3Å; K200-M204 PolarHBondContact O-N 3.33Å; C201-M204 PolarHBondContact O-N 2.83Å; M204-Q206 VanDerWaalsContact C-N 3.27Å; M204-Q206 PolarHBondContact O-N 2.78Å; M204-I207 PolarHBondContact O-N 2.92Å; M204-I208 VanDerWaalsContact O-CG1 3.28Å; M204-I208 WeakPolarHBondContact O-CG1 3.47Å; M204-I208 PolarHBondContact O-N 2.92Å
205	E	53.8	Low	52	Low	99 Å²	99	68 Å²	68	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-57.2	-43.4	173.9	-166.6	-166	169.6	0	0	110.8	K180 C201 T202 I208 Y209	K180-E205 IonicContact NZ-OE1 3.83Å; K180-E205 PolarHBondContact NZ-OE1 3.46Å; K180-E205 IonicContact NZ-OE2 2.88Å; K180-E205 PolarHBondContact NZ-OE2 3.26Å; C201-E205 PolarHBondContact O-N 3.16Å; T202-E205 PolarHBondContact O-N 3.36Å; E205-I208 PolarHBondContact O-N 3.27Å; E205-Y209 WeakPolarHBondContact O-CB 3.17Å; E205-Y209 PolarHBondContact O-N 3.39Å
206	Q	56.4	Low	52	Low	33 Å²	33	70.3 Å²	70.3	15%	0.154	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-41.3	177.4	-67.9	-69.2	-23.1	0	0	112.6	M177 T202 L203 M204 Y209 I210	M177-Q206 PolarHBondContact SD-NE2 3.47Å; T202-Q206 WeakPolarHBondContact O-CG 3.42Å; T202-Q206 PolarHBondContact O-N 2.94Å; L203-Q206 PolarHBondContact O-N 2.8Å; M204-Q206 VanDerWaalsContact C-N 3.27Å; M204-Q206 PolarHBondContact O-N 2.78Å; Q206-Y209 WeakPolarHBondContact O-CB 3.24Å; Q206-Y209 PolarHBondContact O-N 2.89Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.16Å; Q206-I210 PolarHBondContact O-N 3.05Å
207	I	52.3	Low	52	Low	75 Å²	75	68.5 Å²	68.5	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-44	175.8	-69.2	166.2	0	0	0	110.6	L203 M204 Y209 I210 M211	L203-I207 HydrophobicContact CG-CD1 4.11Å; L203-I207 WeakPolarHBondContact O-CG1 3.36Å; L203-I207 PolarHBondContact O-N 3.48Å; M204-I207 PolarHBondContact O-N 2.92Å; I207-Y209 VanDerWaalsContact C-N 3.3Å; I207-Y209 PolarHBondContact O-N 3.27Å; I207-I210 PolarHBondContact O-N 3.44Å; I207-M211 HydrophobicContact CG2-CG 4.48Å; I207-M211 VanDerWaalsContact O-CG 3.3Å; I207-M211 WeakPolarHBondContact O-CG 3.13Å; I207-M211 PolarHBondContact O-N 3.44Å
208	I	52.4	Low	51.8	Low	91 Å²	91	66.4 Å²	66.4	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-44	175.9	-69.1	166.8	0	0	0	110	M204 E205 M211 I212	M204-I208 VanDerWaalsContact O-CG1 3.28Å; M204-I208 WeakPolarHBondContact O-CG1 3.47Å; M204-I208 PolarHBondContact O-N 2.92Å; E205-I208 PolarHBondContact O-N 3.27Å; I208-M211 PolarHBondContact O-N 2.84Å; I208-I212 HydrophobicContact CG2-CD1 3.85Å; I208-I212 HydrophobicContact CG2-CG1 4.48Å; I208-I212 VanDerWaalsContact O-CG1 3.32Å; I208-I212 WeakPolarHBondContact O-CG1 3.32Å; I208-I212 PolarHBondContact O-N 3.45Å
209	Y	53.2	Low	52	Low	90 Å²	90	65.7 Å²	65.7	35%	0.353	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-47	177	-171.6	-97.5	0	0	0	111.9	E205 Q206 I207 M211 I212 V213	E205-Y209 WeakPolarHBondContact O-CB 3.17Å; E205-Y209 PolarHBondContact O-N 3.39Å; Q206-Y209 WeakPolarHBondContact O-CB 3.24Å; Q206-Y209 PolarHBondContact O-N 2.89Å; I207-Y209 VanDerWaalsContact C-N 3.3Å; I207-Y209 PolarHBondContact O-N 3.27Å; Y209-M211 VanDerWaalsContact C-N 3.33Å; Y209-M211 PolarHBondContact O-N 2.9Å; Y209-I212 PolarHBondContact O-N 3.41Å; Y209-I212 VanDerWaalsContact O-N 3.16Å; Y209-V213 HydrophobicContact CD1-CG2 4.13Å; Y209-V213 HydrophobicContact CE1-CG2 3.76Å; Y209-V213 HydrophobicContact CE2-CG2 4.28Å; Y209-V213 WeakPolarHBondContact O-CG2 3.48Å; Y209-V213 PolarHBondContact O-N 2.96Å
210	I	50.7	Low	52.2	Low	24 Å²	24	69 Å²	69	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-42.7	175.2	-69.4	166.3	0	0	0	110.9	L129 Q206 I207 I212 V213 F214	L129-I210 HydrophobicContact CD1-CD1 4.45Å; L129-I210 HydrophobicContact CD1-CG1 4.34Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.16Å; Q206-I210 PolarHBondContact O-N 3.05Å; I207-I210 PolarHBondContact O-N 3.44Å; I210-I212 PolarHBondContact O-N 3.47Å; I210-V213 PolarHBondContact O-N 3.02Å; I210-F214 HydrophobicContact CB-CD2 4.45Å; I210-F214 HydrophobicContact CG2-CD2 3.84Å; I210-F214 HydrophobicContact CG2-CE2 4.5Å; I210-F214 WeakPolarHBondContact O-CB 3.4Å; I210-F214 WeakPolarHBondContact O-CD2 3.49Å; I210-F214 PolarHBondContact O-N 3.14Å
211	M	51	Low	52.2	Low	86 Å²	86	66.6 Å²	66.6	42%	0.424	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-43	175.8	-71.8	-72	97.1	0	0	112	I207 I208 Y209 V215 F216	I207-M211 HydrophobicContact CG2-CG 4.48Å; I207-M211 VanDerWaalsContact O-CG 3.3Å; I207-M211 WeakPolarHBondContact O-CG 3.13Å; I207-M211 PolarHBondContact O-N 3.44Å; I208-M211 PolarHBondContact O-N 2.84Å; Y209-M211 VanDerWaalsContact C-N 3.33Å; Y209-M211 PolarHBondContact O-N 2.9Å; M211-V215 HydrophobicContact CE-CG2 3.69Å; M211-V215 WeakPolarHBondContact O-CA 3.28Å; M211-V215 VanDerWaalsContact O-CB 3.25Å; M211-V215 WeakPolarHBondContact O-CB 3.33Å; M211-V215 PolarHBondContact O-N 3.45Å; M211-V215 HydrophobicContact SD-CG2 4.02Å; M211-F216 WeakPolarHBondContact O-CD2 3.39Å; M211-F216 PolarHBondContact O-N 3.3Å; M211-F216 VanDerWaalsContact O-N 3.08Å
212	I	51.4	Low	52.3	Low	86 Å²	86	69.2 Å²	69.2	44%	0.441	34%	0.338	S	S	.	.	I	π-helix	trans	-61.9	-49	176.9	-68.7	167.5	0	0	0	110.6	I208 Y209 I210 F216 L217	I208-I212 HydrophobicContact CG2-CD1 3.85Å; I208-I212 HydrophobicContact CG2-CG1 4.48Å; I208-I212 VanDerWaalsContact O-CG1 3.32Å; I208-I212 WeakPolarHBondContact O-CG1 3.32Å; I208-I212 PolarHBondContact O-N 3.45Å; Y209-I212 PolarHBondContact O-N 3.41Å; Y209-I212 VanDerWaalsContact O-N 3.16Å; I210-I212 PolarHBondContact O-N 3.47Å; I212-F216 HydrophobicContact CG1-CD2 4.46Å; I212-F216 WeakPolarHBondContact O-CB 3.21Å; I212-F216 PolarHBondContact O-N 2.9Å; I212-L217 WeakPolarHBondContact O-CB 3.25Å; I212-L217 PolarHBondContact O-N 3.45Å
213	V	50.4	Low	52.5	Low	18 Å²	18	72.2 Å²	72.2	11%	0.109	35%	0.352	C	S	.	.	I	π-helix	trans	-75.8	-41.2	-173	175.5	0	0	0	0	113	Y209 I210 P218	Y209-V213 HydrophobicContact CD1-CG2 4.13Å; Y209-V213 HydrophobicContact CE1-CG2 3.76Å; Y209-V213 HydrophobicContact CE2-CG2 4.28Å; Y209-V213 WeakPolarHBondContact O-CG2 3.48Å; Y209-V213 PolarHBondContact O-N 2.96Å; I210-V213 PolarHBondContact O-N 3.02Å; V213-P218 WeakPolarHBondContact O-CD 3.41Å; V213-P218 WeakPolarHBondContact O-CG 3.32Å
214	F	46.4	Very low	52.5	Low	69 Å²	69	73.2 Å²	73.2	30%	0.303	35%	0.353	S	S	.	.	I	π-helix	trans	-95.2	-23.5	-174.2	-71.5	-83.5	0	0	0	114.1	L128 I210 P218	L128-F214 HydrophobicContact CB-CE2 4.25Å; L128-F214 HydrophobicContact CB-CZ 3.94Å; L128-F214 HydrophobicContact CD2-CE1 4.2Å; L128-F214 HydrophobicContact CD2-CZ 4.32Å; I210-F214 HydrophobicContact CB-CD2 4.45Å; I210-F214 HydrophobicContact CG2-CD2 3.84Å; I210-F214 HydrophobicContact CG2-CE2 4.5Å; I210-F214 WeakPolarHBondContact O-CB 3.4Å; I210-F214 WeakPolarHBondContact O-CD2 3.49Å; I210-F214 PolarHBondContact O-N 3.14Å; F214-P218 WeakPolarHBondContact O-CG 3.5Å
215	V	51.8	Low	52.4	Low	67 Å²	67	69.3 Å²	69.3	41%	0.406	34%	0.336	S	S	.	.	I	π-helix	trans	-109.1	-55.4	-177.7	-174.1	0	0	0	0	111.5	M211 S219	M211-V215 HydrophobicContact CE-CG2 3.69Å; M211-V215 WeakPolarHBondContact O-CA 3.28Å; M211-V215 VanDerWaalsContact O-CB 3.25Å; M211-V215 WeakPolarHBondContact O-CB 3.33Å; M211-V215 PolarHBondContact O-N 3.45Å; M211-V215 HydrophobicContact SD-CG2 4.02Å; V215-S219 VanDerWaalsContact O-CB 3.27Å; V215-S219 WeakPolarHBondContact O-CB 3.46Å; V215-S219 PolarHBondContact O-N 3.42Å; V215-S219 PolarHBondContact O-OG 2.86Å
216	F	49.6	Very low	52.4	Low	91 Å²	91	68.3 Å²	68.3	40%	0.399	34%	0.34	S	S	.	.	I	π-helix	trans	-74.1	-49.4	-173.4	-73.7	-76.2	0	0	0	112.8	M211 I212 S219 F220 V295 I299	M211-F216 WeakPolarHBondContact O-CD2 3.39Å; M211-F216 PolarHBondContact O-N 3.3Å; M211-F216 VanDerWaalsContact O-N 3.08Å; I212-F216 HydrophobicContact CG1-CD2 4.46Å; I212-F216 WeakPolarHBondContact O-CB 3.21Å; I212-F216 PolarHBondContact O-N 2.9Å; F216-S219 PolarHBondContact O-N 3.41Å; F216-F220 VanDerWaalsContact O-CB 3.29Å; F216-F220 WeakPolarHBondContact O-CB 3.37Å; F216-F220 PolarHBondContact O-N 3.14Å; F216-V295 HydrophobicContact CE1-CG1 3.77Å; F216-V295 HydrophobicContact CZ-CG1 4.23Å; F216-I299 HydrophobicContact CE2-CD1 4.44Å; F216-I299 HydrophobicContact CZ-CD1 3.99Å
217	L	51.8	Low	52.1	Low	51 Å²	51	72.3 Å²	72.3	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-45.4	-174.1	-166.7	61.9	0	0	0	112.5	F136 I212 S219 F220 M221	F136-L217 HydrophobicContact CD2-CD2 3.68Å; F136-L217 HydrophobicContact CE2-CD2 3.25Å; F136-L217 HydrophobicContact CE2-CG 3.99Å; F136-L217 HydrophobicContact CZ-CD2 4.16Å; I212-L217 WeakPolarHBondContact O-CB 3.25Å; I212-L217 PolarHBondContact O-N 3.45Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.89Å; L217-F220 PolarHBondContact O-N 3.08Å; L217-M221 HydrophobicContact CD1-CE 3.81Å; L217-M221 HydrophobicContact CG-CE 4.47Å; L217-M221 WeakPolarHBondContact O-CB 3.45Å; L217-M221 WeakPolarHBondContact O-CG 3.45Å; L217-M221 PolarHBondContact O-N 3.38Å
218	P	48.3	Very low	52.2	Low	23 Å²	23	69.6 Å²	69.6	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-69.4	-33.5	178.7	-20.2	36.4	0	0	0	111.8	V213 F214 M221 R222	V213-P218 WeakPolarHBondContact O-CD 3.41Å; V213-P218 WeakPolarHBondContact O-CG 3.32Å; F214-P218 WeakPolarHBondContact O-CG 3.5Å; P218-M221 PolarHBondContact O-N 3.45Å; P218-R222 WeakPolarHBondContact O-CG 3.45Å; P218-R222 PolarHBondContact O-N 3.38Å
219	S	55.2	Low	52.2	Low	54 Å²	54	71.1 Å²	71.1	38%	0.378	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-43.8	174.9	-59.6	0	0	0	0	111.4	V215 F216 L217 R222 I223	V215-S219 VanDerWaalsContact O-CB 3.27Å; V215-S219 WeakPolarHBondContact O-CB 3.46Å; V215-S219 PolarHBondContact O-N 3.42Å; V215-S219 PolarHBondContact O-OG 2.86Å; F216-S219 PolarHBondContact O-N 3.41Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.89Å; S219-R222 PolarHBondContact O-N 3.06Å; S219-I223 VanDerWaalsContact O-CG1 3.29Å; S219-I223 WeakPolarHBondContact O-CG1 3.45Å; S219-I223 PolarHBondContact O-N 3.45Å
220	F	56.9	Low	52.2	Low	113 Å²	113	76 Å²	76	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-46.4	173.6	177.2	-95.8	0	0	0	111.2	F216 L217 R222 I223 F224	F216-F220 VanDerWaalsContact O-CB 3.29Å; F216-F220 WeakPolarHBondContact O-CB 3.37Å; F216-F220 PolarHBondContact O-N 3.14Å; L217-F220 PolarHBondContact O-N 3.08Å; F220-R222 PolarHBondContact O-N 3.38Å; F220-I223 PolarHBondContact O-N 2.92Å; F220-F224 WeakPolarHBondContact O-CB 3.38Å; F220-F224 PolarHBondContact O-N 3.2Å
221	M	52.3	Low	52.1	Low	47 Å²	47	78.4 Å²	78.4	23%	0.232	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-38.4	177.9	-68.1	-59.3	172.4	0	0	112.1	Y143 L217 P218 F224 A225	Y143-M221 HydrophobicContact CD2-CB 4.25Å; L217-M221 HydrophobicContact CD1-CE 3.81Å; L217-M221 HydrophobicContact CG-CE 4.47Å; L217-M221 WeakPolarHBondContact O-CB 3.45Å; L217-M221 WeakPolarHBondContact O-CG 3.45Å; L217-M221 PolarHBondContact O-N 3.38Å; P218-M221 PolarHBondContact O-N 3.45Å; M221-F224 PolarHBondContact O-N 2.91Å; M221-A225 WeakPolarHBondContact O-CB 3.31Å; M221-A225 PolarHBondContact O-N 2.96Å
222	R	54.3	Low	52	Low	147 Å²	147	79.9 Å²	79.9	56%	0.555	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-46.2	171.5	-80.8	-173.4	-124.1	-161.2	-2	112.8	Y143 P218 S219 F220 F224 A225 S226	Y143-R222 HydrophobicContact CE1-CG 3.49Å; Y143-R222 VanDerWaalsContact CE1-CG 3.49Å; Y143-R222 HydrophobicContact CE2-CG 4.24Å; Y143-R222 WeakPolarHBondContact OH-CD 3.23Å; Y143-R222 WeakPolarHBondContact OH-CG 3.33Å; Y143-R222 PolarHBondContact OH-NE 2.93Å; P218-R222 WeakPolarHBondContact O-CG 3.45Å; P218-R222 PolarHBondContact O-N 3.38Å; S219-R222 PolarHBondContact O-N 3.06Å; F220-R222 PolarHBondContact O-N 3.38Å; R222-F224 VanDerWaalsContact C-N 3.34Å; R222-A225 PolarHBondContact O-N 3.05Å; R222-S226 WeakPolarHBondContact O-CB 3.45Å; R222-S226 PolarHBondContact O-N 3.24Å
223	I	55.5	Low	51.6	Low	98 Å²	98	77.6 Å²	77.6	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-44.1	179.9	-68	164.5	0	0	0	109.8	S219 F220 S226 Y227	S219-I223 VanDerWaalsContact O-CG1 3.29Å; S219-I223 WeakPolarHBondContact O-CG1 3.45Å; S219-I223 PolarHBondContact O-N 3.45Å; F220-I223 PolarHBondContact O-N 2.92Å; I223-S226 PolarHBondContact O-N 3.27Å; I223-Y227 WeakPolarHBondContact O-CB 3.49Å; I223-Y227 PolarHBondContact O-N 3.37Å
224	F	54.6	Low	51.3	Low	85 Å²	85	81.6 Å²	81.6	37%	0.373	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-45.5	177.4	-173.4	-97.3	0	0	0	111.8	F220 M221 R222 S226 Y227 A228 L273	F220-F224 WeakPolarHBondContact O-CB 3.38Å; F220-F224 PolarHBondContact O-N 3.2Å; M221-F224 PolarHBondContact O-N 2.91Å; R222-F224 VanDerWaalsContact C-N 3.34Å; F224-S226 PolarHBondContact O-N 3.34Å; F224-Y227 PolarHBondContact O-N 3.02Å; F224-A228 WeakPolarHBondContact O-CB 3.45Å; F224-A228 PolarHBondContact O-N 3.36Å; F224-L273 HydrophobicContact CE1-CD2 4.03Å; F224-L273 HydrophobicContact CZ-CD2 3.7Å
225	A	51.2	Low	51.1	Low	9 Å²	9	82.5 Å²	82.5	7%	0.074	40%	0.398	C	S	.	.	H	α-helix	trans	-59.2	-45.9	175.1	0	0	0	0	0	111.8	Y143 I147 M221 R222 Y227 A228 K229	Y143-A225 HydrophobicContact CD1-CB 4.45Å; I147-A225 HydrophobicContact CD1-CB 3.58Å; I147-A225 HydrophobicContact CG1-CB 4.04Å; M221-A225 WeakPolarHBondContact O-CB 3.31Å; M221-A225 PolarHBondContact O-N 2.96Å; R222-A225 PolarHBondContact O-N 3.05Å; A225-Y227 PolarHBondContact O-N 3.46Å; A225-A228 PolarHBondContact O-N 2.74Å; A225-K229 WeakPolarHBondContact O-CB 3.42Å; A225-K229 PolarHBondContact O-N 2.96Å
226	S	53.7	Low	50.3	Low	78 Å²	78	86.9 Å²	86.9	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-43	176.5	-176.3	0	0	0	0	112	R222 I223 F224 R230	R222-S226 WeakPolarHBondContact O-CB 3.45Å; R222-S226 PolarHBondContact O-N 3.24Å; I223-S226 PolarHBondContact O-N 3.27Å; F224-S226 PolarHBondContact O-N 3.34Å; S226-R230 WeakPolarHBondContact O-CB 3.46Å; S226-R230 PolarHBondContact O-N 3.14Å
227	Y	51.4	Low	49.6	Very low	117 Å²	117	90.3 Å²	90.3	46%	0.459	43%	0.426	S	S	.	.	H	α-helix	trans	-63.7	-46	175.6	-176.6	-99	0	0	0	112.1	I223 F224 A225 R230 M231	I223-Y227 WeakPolarHBondContact O-CB 3.49Å; I223-Y227 PolarHBondContact O-N 3.37Å; F224-Y227 PolarHBondContact O-N 3.02Å; A225-Y227 PolarHBondContact O-N 3.46Å; Y227-R230 PolarHBondContact O-N 2.8Å; Y227-M231 HydrophobicContact CD1-CG 4.44Å; Y227-M231 HydrophobicContact CE1-CE 4.15Å; Y227-M231 HydrophobicContact CE1-CG 4.05Å; Y227-M231 HydrophobicContact CE2-CE 4.25Å; Y227-M231 PolarHBondContact O-N 2.89Å; Y227-M231 WeakPolarHBondContact OH-CE 3.24Å
228	A	53.8	Low	48.8	Very low	18 Å²	18	92 Å²	92	15%	0.149	44%	0.441	C	S	.	.	H	α-helix	trans	-61.7	-45.2	177.5	0	0	0	0	0	111.7	F224 A225 R230 M231 Y232	F224-A228 WeakPolarHBondContact O-CB 3.45Å; F224-A228 PolarHBondContact O-N 3.36Å; A225-A228 PolarHBondContact O-N 2.74Å; A228-R230 VanDerWaalsContact C-N 3.26Å; A228-R230 PolarHBondContact O-N 3.22Å; A228-M231 PolarHBondContact O-N 3.03Å; A228-Y232 WeakPolarHBondContact O-CB 3.36Å; A228-Y232 PolarHBondContact O-N 3.35Å
229	K	51.9	Low	48.1	Very low	123 Å²	123	96.7 Å²	96.7	54%	0.535	46%	0.464	S	S	.	.	H	α-helix	trans	-59.3	-37.3	175.5	-168.8	170.8	-173.7	164.7	0	111.8	A225 G233	A225-K229 WeakPolarHBondContact O-CB 3.42Å; A225-K229 PolarHBondContact O-N 2.96Å; K229-G233 PolarHBondContact O-N 3.49Å
230	R	53.1	Low	47.2	Very low	191 Å²	191	99.6 Å²	99.6	72%	0.721	48%	0.479	S	S	*	.	H	α-helix	trans	-70.8	-44	178.7	-145.3	173.6	-168.7	168.2	3.6	112.4	S226 Y227 A228 Y232 G233 E234	S226-R230 WeakPolarHBondContact O-CB 3.46Å; S226-R230 PolarHBondContact O-N 3.14Å; Y227-R230 PolarHBondContact O-N 2.8Å; A228-R230 VanDerWaalsContact C-N 3.26Å; A228-R230 PolarHBondContact O-N 3.22Å; R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-Y232 PolarHBondContact O-N 3.35Å; R230-G233 PolarHBondContact O-N 3.38Å; R230-E234 PolarHBondContact O-N 2.81Å
231	M	49.9	Very low	45.9	Very low	76 Å²	76	98.1 Å²	98.1	37%	0.374	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-43.3	173.1	-80.4	-69	-176.2	0	0	111.8	Y227 A228 E234 Q235	Y227-M231 HydrophobicContact CD1-CG 4.44Å; Y227-M231 HydrophobicContact CE1-CE 4.15Å; Y227-M231 HydrophobicContact CE1-CG 4.05Å; Y227-M231 HydrophobicContact CE2-CE 4.25Å; Y227-M231 PolarHBondContact O-N 2.89Å; Y227-M231 WeakPolarHBondContact OH-CE 3.24Å; A228-M231 PolarHBondContact O-N 3.03Å; M231-E234 PolarHBondContact O-N 3.35Å; M231-Q235 PolarHBondContact O-N 3.2Å; M231-Q235 VanDerWaalsContact O-N 3.09Å
232	Y	48.1	Very low	44.9	Very low	116 Å²	116	102.7 Å²	102.7	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-38.6	178.8	-145.9	-93.5	0	0	0	112.3	A228 R230 E234 Q235 K236	A228-Y232 WeakPolarHBondContact O-CB 3.36Å; A228-Y232 PolarHBondContact O-N 3.35Å; R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-Y232 PolarHBondContact O-N 3.35Å; Y232-E234 PolarHBondContact O-N 2.86Å; Y232-Q235 PolarHBondContact O-N 2.93Å; Y232-K236 PolarHBondContact O-N 3.15Å; Y232-K236 VanDerWaalsContact O-N 3.14Å
233	G	43.9	Very low	43.8	Very low	38 Å²	38	105.3 Å²	105.3	39%	0.392	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-37.3	174.3	0	0	0	0	0	113.7	K229 R230 K236 K237	K229-G233 PolarHBondContact O-N 3.49Å; R230-G233 PolarHBondContact O-N 3.38Å; G233-K236 WeakPolarHBondContact O-CB 3.22Å; G233-K236 PolarHBondContact O-N 3.06Å; G233-K237 PolarHBondContact O-N 2.91Å
234	E	43.3	Very low	42.6	Very low	102 Å²	102	103.5 Å²	103.5	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-72.9	-35.1	175	-75.2	-167.6	170.9	0	0	112.8	R230 M231 Y232 K236 K237 C238	R230-E234 PolarHBondContact O-N 2.81Å; M231-E234 PolarHBondContact O-N 3.35Å; Y232-E234 PolarHBondContact O-N 2.86Å; E234-K236 VanDerWaalsContact C-N 3.27Å; E234-K236 PolarHBondContact O-N 3.39Å; E234-K237 PolarHBondContact O-N 2.93Å; E234-C238 PolarHBondContact O-N 3.4Å
235	Q	41.6	Very low	41.3	Very low	89 Å²	89	106.2 Å²	106.2	42%	0.416	55%	0.553	S	S	.	*	H	α-helix	trans	-57.5	-40.9	169.8	-103.5	-175.4	-15	0	0	111.8	M231 Y232 K237 C238 L239	M231-Q235 PolarHBondContact O-N 3.2Å; M231-Q235 VanDerWaalsContact O-N 3.09Å; Y232-Q235 PolarHBondContact O-N 2.93Å; Q235-K237 VanDerWaalsContact C-N 3.27Å; Q235-K237 PolarHBondContact O-N 3.42Å; Q235-C238 PolarHBondContact O-N 3.38Å; Q235-L239 WeakPolarHBondContact O-CB 3.17Å; Q235-L239 PolarHBondContact O-N 3.46Å
236	K	36.9	Very low	40.1	Very low	158 Å²	158	111.1 Å²	111.1	69%	0.687	59%	0.587	S	S	*	*	H	α-helix	trans	-61.3	-33.7	175.2	-131.6	177.6	-173	175	0	112.1	Y232 G233 E234 V240	Y232-K236 PolarHBondContact O-N 3.15Å; Y232-K236 VanDerWaalsContact O-N 3.14Å; G233-K236 WeakPolarHBondContact O-CB 3.22Å; G233-K236 PolarHBondContact O-N 3.06Å; E234-K236 VanDerWaalsContact C-N 3.27Å; E234-K236 PolarHBondContact O-N 3.39Å; K236-V240 WeakPolarHBondContact O-CG2 3.32Å; K236-V240 PolarHBondContact O-N 3.44Å
237	K	33.6	Very low	38.8	Very low	163 Å²	163	111.5 Å²	111.5	71%	0.709	59%	0.589	S	S	*	*	H	α-helix	trans	-74.4	-44.2	175.2	-76.2	-177.4	176.2	179.7	0	112.8	G233 E234 Q235 L239 V240 S241	G233-K237 PolarHBondContact O-N 2.91Å; E234-K237 PolarHBondContact O-N 2.93Å; Q235-K237 VanDerWaalsContact C-N 3.27Å; Q235-K237 PolarHBondContact O-N 3.42Å; K237-L239 PolarHBondContact O-N 3.43Å; K237-V240 PolarHBondContact O-N 2.59Å; K237-S241 PolarHBondContact O-N 2.84Å
238	C	34.6	Very low	37.6	Very low	86 Å²	86	111.2 Å²	111.2	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-32.2	178.8	-77.4	0	0	0	0	113.4	E234 Q235 V240 S241	E234-C238 PolarHBondContact O-N 3.4Å; Q235-C238 PolarHBondContact O-N 3.38Å; C238-V240 VanDerWaalsContact C-N 3.34Å; C238-S241 PolarHBondContact O-OG 3.37Å
239	L	34	Very low	36.6	Very low	123 Å²	123	117.2 Å²	117.2	64%	0.644	64%	0.639	S	S	*	*	H	α-helix	trans	-73	-25.4	174.9	-93.3	140.7	0	0	0	113.3	Q235 K237	Q235-L239 WeakPolarHBondContact O-CB 3.17Å; Q235-L239 PolarHBondContact O-N 3.46Å; K237-L239 PolarHBondContact O-N 3.43Å
240	V	36.6	Very low	35.3	Very low	114 Å²	114	122.6 Å²	122.6	69%	0.691	66%	0.656	S	S	*	*	H	α-helix	trans	-81.3	-32.4	176.4	174.2	0	0	0	0	111.5	K236 K237 C238 N242	K236-V240 WeakPolarHBondContact O-CG2 3.32Å; K236-V240 PolarHBondContact O-N 3.44Å; K237-V240 PolarHBondContact O-N 2.59Å; C238-V240 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 2.94Å
241	S	30	Very low	33.9	Very low	82 Å²	82	122.4 Å²	122.4	57%	0.573	66%	0.661	S	S	*	*	H	α-helix	trans	-73.1	-23.6	179.4	67	0	0	0	0	114.3	K237 C238	K237-S241 PolarHBondContact O-N 2.84Å; C238-S241 PolarHBondContact O-OG 3.37Å
242	N	31.7	Very low	32.9	Very low	144 Å²	144	131 Å²	131	77%	0.77	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	5.3	-175.1	-94	3.9	0	0	0	115.6	V240	V240-N242 PolarHBondContact O-N 2.94Å
243	K	31.2	Very low	31.7	Very low	201 Å²	201	135.1 Å²	135.1	87%	0.874	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	14.2	174.5	-80.7	-168.4	175.3	-178.3	0	114.7
244	G	29.2	Very low	30.9	Very low	61 Å²	61	140.2 Å²	140.2	63%	0.629	72%	0.717	S	S	*	*	S	Bend	trans	-119.4	31.1	-169.8	0	0	0	0	0	117.3
245	V	27.3	Very low	30.2	Very low	142 Å²	142	141.3 Å²	141.3	86%	0.861	74%	0.736	S	S	*	*	S	Bend	trans	-149.4	120.9	170.9	-172	0	0	0	0	112
246	S	26.4	Very low	29.4	Very low	111 Å²	111	148.1 Å²	148.1	78%	0.776	76%	0.759	S	S	*	*			trans	71.7	135.5	165.1	-135.2	0	0	0	0	118.1
247	S	26.8	Very low	28.9	Very low	86 Å²	86	145.8 Å²	145.8	60%	0.601	76%	0.763	S	S	*	*			cis	178.4	127.2	-18.2	43.9	0	0	0	0	105.7
248	S	25.8	Very low	28.6	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	77%	0.765	S	S	*	*			trans	26.7	102.1	145.3	60.5	0	0	0	0	120.7
249	T	31.8	Very low	28.1	Very low	143 Å²	143	142.3 Å²	142.3	88%	0.877	77%	0.77	S	S	*	*			trans	-151.9	92.4	143.4	10.8	0	0	0	0	111.7
250	R	25.4	Very low	27.7	Very low	237 Å²	237	144 Å²	144	89%	0.894	78%	0.775	S	S	*	*			trans	38.5	103.3	137.4	-128.6	172.3	-174.7	158.7	-0	120.2
251	K	24.8	Very low	27.1	Very low	186 Å²	186	143.7 Å²	143.7	81%	0.809	78%	0.778	S	S	*	*			trans	31.5	115.6	130.2	-69.8	179.3	176.9	174	0	118.9
252	R	26.9	Very low	26.8	Very low	258 Å²	258	149.9 Å²	149.9	97%	0.974	79%	0.79	S	S	*	*				-137.3	139.4	128.5	-118.3	176.7	177.8	154.6	-1.9	110.2
253	R	24.4	Very low	26.5	Very low	201 Å²	201	148.3 Å²	148.3	76%	0.758	79%	0.785	S	S	*	*			trans	-91	154.2	-164.4	-93.7	176.1	172.5	155	-5.8	112
254	H	26.6	Very low	26.1	Very low	146 Å²	146	146.8 Å²	146.8	68%	0.676	78%	0.781	S	S	*	*			trans	68.7	97.7	151.6	-64.2	-55.9	0	0	0	119.6
255	S	28.6	Very low	25.9	Very low	124 Å²	124	153.1 Å²	153.1	87%	0.867	79%	0.788	S	S	*	*				-155.5	123	123.2	-2.2	0	0	0	0	108	S257	S255-S257 PolarHBondContact O-N 2.88Å
256	Y	24.5	Very low	25.9	Very low	233 Å²	233	157.3 Å²	157.3	91%	0.914	79%	0.788	S	S	*	*			trans	-67.9	115.3	175.4	-90.9	-99.2	0	0	0	109.3
257	S	27	Very low	26.1	Very low	108 Å²	108	163.1 Å²	163.1	76%	0.755	79%	0.793	S	S	*	*			trans	-145	128.8	146.7	-179.3	0	0	0	0	106	S255 G259	S255-S257 PolarHBondContact O-N 2.88Å; S257-G259 PolarHBondContact O-N 3.5Å
258	S	27.6	Very low	26.5	Very low	109 Å²	109	162.9 Å²	162.9	76%	0.762	78%	0.783	S	S	*	*			trans	-60.2	76.5	178.3	49.2	0	0	0	0	110.4	H260	S258-H260 PolarHBondContact O-N 3.44Å
259	G	23.4	Very low	26.8	Very low	67 Å²	67	160.2 Å²	160.2	69%	0.691	77%	0.765	S	S	*	*			trans	-72.6	81.2	165.9	0	0	0	0	0	108	S257 S261	S257-G259 PolarHBondContact O-N 3.5Å; G259-S261 VanDerWaalsContact C-N 3.29Å; G259-S261 PolarHBondContact O-N 3.02Å
260	H	26.7	Very low	26.9	Very low	159 Å²	159	159 Å²	159	74%	0.736	76%	0.756	S	S	*	*			trans	-51.1	109.1	148	-85.8	-67.1	0	0	0	105.5	S258 Y262	S258-H260 PolarHBondContact O-N 3.44Å; H260-Y262 HydrophobicContact CB-CD2 4.44Å; H260-Y262 HydrophobicContact CB-CE2 4.47Å; H260-Y262 PolarHBondContact O-N 3.11Å
261	S	23.2	Very low	27.3	Very low	107 Å²	107	154.9 Å²	154.9	75%	0.748	75%	0.747	S	S	*	*			trans	-60.6	86.5	168.5	53.8	0	0	0	0	106.7	G259 V263	G259-S261 VanDerWaalsContact C-N 3.29Å; G259-S261 PolarHBondContact O-N 3.02Å; S261-V263 PolarHBondContact O-N 3.28Å
262	Y	23.2	Very low	28	Very low	212 Å²	212	150 Å²	150	83%	0.831	73%	0.73	S	S	*	*			trans	-58	99.5	157.7	-86.8	-88.7	0	0	0	104.3	H260 E264	H260-Y262 HydrophobicContact CB-CD2 4.44Å; H260-Y262 HydrophobicContact CB-CE2 4.47Å; H260-Y262 PolarHBondContact O-N 3.11Å; Y262-E264 PolarHBondContact O-N 2.9Å
263	V	25.6	Very low	28.4	Very low	111 Å²	111	140.7 Å²	140.7	67%	0.673	70%	0.699	S	S	*	*			trans	-55.5	102.2	157.3	175.1	0	0	0	0	103.6	S261 Y265	S261-V263 PolarHBondContact O-N 3.28Å; V263-Y265 VanDerWaalsContact C-N 3.3Å; V263-Y265 WeakPolarHBondContact O-CD2 3.45Å; V263-Y265 PolarHBondContact O-N 3Å
264	E	22.6	Very low	28.9	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	69%	0.69	S	S	*	*			trans	-59.7	98.7	176.7	-160.3	177.4	-154.3	0	0	106.1	Y262 R266	Y262-E264 PolarHBondContact O-N 2.9Å; E264-R266 VanDerWaalsContact C-N 3.27Å; E264-R266 PolarHBondContact O-N 2.92Å
265	Y	25.7	Very low	29.2	Very low	194 Å²	194	131.8 Å²	131.8	76%	0.761	68%	0.682	S	S	*	*			trans	-61.4	95	172.9	-83.5	-90.8	0	0	0	106.5	V263 R267	V263-Y265 VanDerWaalsContact C-N 3.3Å; V263-Y265 WeakPolarHBondContact O-CD2 3.45Å; V263-Y265 PolarHBondContact O-N 3Å; Y265-R267 PolarHBondContact O-N 3.07Å
266	R	26.9	Very low	29.4	Very low	230 Å²	230	133.6 Å²	133.6	87%	0.868	67%	0.671	S	S	*	*			trans	-58.2	105.5	169.9	-85	-169	-172.2	-167.3	3.3	107.6	E264 M268	E264-R266 VanDerWaalsContact C-N 3.27Å; E264-R266 PolarHBondContact O-N 2.92Å; R266-M268 PolarHBondContact O-N 3.15Å; R266-M268 VanDerWaalsContact O-N 3.11Å
267	R	30.6	Very low	29.8	Very low	233 Å²	233	127.3 Å²	127.3	88%	0.879	66%	0.657	S	S	*	*			trans	-53.1	111.7	171.5	-68.2	175.7	179	169.4	-0.4	108.5	Y265	Y265-R267 PolarHBondContact O-N 3.07Å
268	M	34.7	Very low	30.1	Very low	81 Å²	81	127.5 Å²	127.5	40%	0.399	65%	0.653	S	S	.	*			trans	-85	112.2	172.9	-162.2	97.8	77	0	0	107.8	R266 N272	R266-M268 PolarHBondContact O-N 3.15Å; R266-M268 VanDerWaalsContact O-N 3.11Å; M268-N272 HydrophobicContact CG-CB 4.1Å; M268-N272 HydrophobicContact SD-CB 4.15Å
269	S	32.8	Very low	30.2	Very low	56 Å²	56	126.9 Å²	126.9	39%	0.392	64%	0.642	S	S	.	*			trans	-71.2	152.9	171.2	69.5	0	0	0	0	110.2	H271 N272 L273	S269-H271 PolarHBondContact O-N 3.46Å; S269-H271 VanDerWaalsContact O-N 3.09Å; S269-N272 PolarHBondContact O-N 2.99Å; S269-N272 PolarHBondContact OG-N 2.95Å; S269-L273 PolarHBondContact O-N 3.49Å
270	V	34.2	Very low	30.8	Very low	116 Å²	116	129.2 Å²	129.2	70%	0.703	65%	0.645	S	S	*	*	H	α-helix	trans	-52	-32.7	174.1	177.4	0	0	0	0	111.4	L273 I274	V270-L273 PolarHBondContact O-N 3.44Å; V270-I274 HydrophobicContact CG1-CD1 4.34Å; V270-I274 WeakPolarHBondContact O-CG1 3.22Å; V270-I274 PolarHBondContact O-N 2.83Å
271	H	34.6	Very low	30.9	Very low	152 Å²	152	128.3 Å²	128.3	70%	0.704	65%	0.645	S	S	*	*	H	α-helix	trans	-64.1	-40.1	177.3	-151.4	59.4	0	0	0	112.7	S269 I274 G275	S269-H271 PolarHBondContact O-N 3.46Å; S269-H271 VanDerWaalsContact O-N 3.09Å; H271-I274 PolarHBondContact O-N 3.47Å; H271-G275 PolarHBondContact O-N 3.39Å; H271-G275 VanDerWaalsContact O-N 3.12Å
272	N	38.1	Very low	31.2	Very low	82 Å²	82	127.7 Å²	127.7	44%	0.439	64%	0.64	S	S	.	*	H	α-helix	trans	-71.3	-31.1	177.1	-72.4	-7.8	0	0	0	112.3	M268 S269 G275 Y276	M268-N272 HydrophobicContact CG-CB 4.1Å; M268-N272 HydrophobicContact SD-CB 4.15Å; S269-N272 PolarHBondContact O-N 2.99Å; S269-N272 PolarHBondContact OG-N 2.95Å; N272-G275 PolarHBondContact O-N 3.43Å; N272-Y276 WeakPolarHBondContact O-CD2 3.38Å; N272-Y276 PolarHBondContact O-N 3.18Å; N272-Y276 VanDerWaalsContact O-N 3.08Å
273	L	35.1	Very low	31.4	Very low	64 Å²	64	126 Å²	126	34%	0.335	64%	0.639	S	S	.	*	H	α-helix	trans	-65	-42.8	174.9	-168.3	71	0	0	0	111.2	F224 S269 V270 G275 Y276 V277	F224-L273 HydrophobicContact CE1-CD2 4.03Å; F224-L273 HydrophobicContact CZ-CD2 3.7Å; S269-L273 PolarHBondContact O-N 3.49Å; V270-L273 PolarHBondContact O-N 3.44Å; L273-G275 VanDerWaalsContact C-N 3.34Å; L273-Y276 PolarHBondContact O-N 3.29Å; L273-V277 WeakPolarHBondContact O-CG2 3.42Å; L273-V277 PolarHBondContact O-N 3.48Å
274	I	34.6	Very low	31.6	Very low	110 Å²	110	130.2 Å²	130.2	56%	0.564	64%	0.644	S	S	*	*	H	α-helix	trans	-63.4	-41.2	175.6	-64.4	167.8	0	0	0	110.6	V270 H271 Y276 V277	V270-I274 HydrophobicContact CG1-CD1 4.34Å; V270-I274 WeakPolarHBondContact O-CG1 3.22Å; V270-I274 PolarHBondContact O-N 2.83Å; H271-I274 PolarHBondContact O-N 3.47Å; I274-Y276 VanDerWaalsContact C-N 3.33Å; I274-Y276 PolarHBondContact O-N 2.86Å; I274-V277 PolarHBondContact O-N 3.2Å
275	G	33.7	Very low	32	Very low	50 Å²	50	131.7 Å²	131.7	52%	0.515	65%	0.648	S	S	.	*	H	α-helix	trans	-62.3	-35.4	177	0	0	0	0	0	114	H271 N272 L273	H271-G275 PolarHBondContact O-N 3.39Å; H271-G275 VanDerWaalsContact O-N 3.12Å; N272-G275 PolarHBondContact O-N 3.43Å; L273-G275 VanDerWaalsContact C-N 3.34Å
276	Y	32.9	Very low	32.4	Very low	161 Å²	161	125.5 Å²	125.5	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-78.8	-24.8	-179.2	-98.1	-85.9	0	0	0	114.4	N272 L273 I274 V278 N279	N272-Y276 WeakPolarHBondContact O-CD2 3.38Å; N272-Y276 PolarHBondContact O-N 3.18Å; N272-Y276 VanDerWaalsContact O-N 3.08Å; L273-Y276 PolarHBondContact O-N 3.29Å; I274-Y276 VanDerWaalsContact C-N 3.33Å; I274-Y276 PolarHBondContact O-N 2.86Å; Y276-V278 PolarHBondContact O-N 2.86Å; Y276-V278 VanDerWaalsContact O-N 3.17Å; Y276-N279 PolarHBondContact O-N 3.39Å
277	V	32.7	Very low	32.5	Very low	101 Å²	101	125.1 Å²	125.1	61%	0.612	63%	0.631	S	S	*	*	H	α-helix	trans	-62.6	-19.9	175.1	171.7	0	0	0	0	111.8	L273 I274	L273-V277 WeakPolarHBondContact O-CG2 3.42Å; L273-V277 PolarHBondContact O-N 3.48Å; I274-V277 PolarHBondContact O-N 3.2Å
278	V	32.5	Very low	33.1	Very low	113 Å²	113	116.6 Å²	116.6	69%	0.685	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-1.3	-175.2	-173.9	0	0	0	0	113.2	Y276 P280	Y276-V278 PolarHBondContact O-N 2.86Å; Y276-V278 VanDerWaalsContact O-N 3.17Å; V278-P280 WeakPolarHBondContact O-CD 3.26Å
279	N	30	Very low	33.3	Very low	96 Å²	96	116.9 Å²	116.9	51%	0.513	61%	0.614	S	S	.	*			trans	-78.6	112.3	180	-156.6	-17.4	0	0	0	111.9	Y276 N281	Y276-N279 PolarHBondContact O-N 3.39Å; N279-N281 VanDerWaalsContact C-N 3.26Å; N279-N281 PolarHBondContact O-N 3.47Å; N279-N281 VanDerWaalsContact O-N 3.1Å
280	P	36.2	Very low	33.7	Very low	116 Å²	116	118.1 Å²	118.1	75%	0.753	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	5.3	-163.5	30.7	-34.5	0	0	0	115.7	V278	V278-P280 WeakPolarHBondContact O-CD 3.26Å
281	N	28.7	Very low	34.2	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	7.5	-177.1	-77.5	-16.2	0	0	0	115.3	N279 H283	N279-N281 VanDerWaalsContact C-N 3.26Å; N279-N281 PolarHBondContact O-N 3.47Å; N279-N281 VanDerWaalsContact O-N 3.1Å; N281-H283 PolarHBondContact O-N 2.97Å
282	C	29.3	Very low	34.7	Very low	95 Å²	95	115.3 Å²	115.3	64%	0.642	60%	0.602	S	S	*	*			trans	-86	104.3	177.1	-78.9	0	0	0	0	112.7	Y284	C282-Y284 PolarHBondContact O-N 2.93Å; C282-Y284 VanDerWaalsContact O-N 3.12Å
283	H	27.3	Very low	35.1	Very low	176 Å²	176	116.1 Å²	116.1	82%	0.815	61%	0.605	S	S	*	*			trans	-76.1	66	-179.4	-110.7	-85.9	0	0	0	113.7	N281	N281-H283 PolarHBondContact O-N 2.97Å
284	Y	31	Very low	35.6	Very low	200 Å²	200	117.4 Å²	117.4	78%	0.784	61%	0.608	S	S	*	*			trans	-140.9	138.6	171.3	-76.5	-72.5	0	0	0	116	C282 C286	C282-Y284 PolarHBondContact O-N 2.93Å; C282-Y284 VanDerWaalsContact O-N 3.12Å; Y284-C286 PolarHBondContact O-N 3.25Å
285	K	30.6	Very low	36.2	Very low	200 Å²	200	113.5 Å²	113.5	87%	0.87	59%	0.59	S	S	*	*			trans	-55.6	92.9	-177.3	-80.1	174	172.2	173.8	0	111.2	W287	K285-W287 PolarHBondContact O-N 3.27Å
286	C	34.9	Very low	36.7	Very low	64 Å²	64	114.3 Å²	114.3	43%	0.432	59%	0.587	S	S	.	*			trans	-86.6	99.6	176.4	-152	0	0	0	0	109.9	Y284 S288	Y284-C286 PolarHBondContact O-N 3.25Å; C286-S288 PolarHBondContact O-N 2.95Å; C286-S288 PolarHBondContact SG-OG 3Å
287	W	28.4	Very low	37.4	Very low	223 Å²	223	109.4 Å²	109.4	85%	0.845	57%	0.572	S	S	*	*	H	α-helix	trans	-65	-10.7	167.5	-82.7	34.9	0	0	0	112.4	K285 F291	K285-W287 PolarHBondContact O-N 3.27Å; W287-F291 WeakPolarHBondContact O-CB 3.18Å; W287-F291 PolarHBondContact O-N 3.32Å; W287-F291 VanDerWaalsContact O-N 3.16Å
288	S	42.6	Very low	38.1	Very low	54 Å²	54	107.8 Å²	107.8	38%	0.378	56%	0.559	S	S	.	*	H	α-helix	trans	-75.1	-39.5	-168.4	90.7	0	0	0	0	114.4	C286 F291 V292	C286-S288 PolarHBondContact O-N 2.95Å; C286-S288 PolarHBondContact SG-OG 3Å; S288-F291 PolarHBondContact O-N 2.84Å; S288-V292 VanDerWaalsContact O-CG2 3.3Å; S288-V292 WeakPolarHBondContact O-CG2 3.4Å; S288-V292 PolarHBondContact O-N 2.83Å
289	T	38.3	Very low	38.8	Very low	87 Å²	87	106.4 Å²	106.4	53%	0.534	55%	0.547	S	S	.	.	H	α-helix	trans	-68.9	-38.3	178.8	26.6	0	0	0	0	111.7	I293	T289-I293 WeakPolarHBondContact O-CB 3.45Å; T289-I293 WeakPolarHBondContact O-CD1 3.21Å; T289-I293 WeakPolarHBondContact O-CG1 3.34Å; T289-I293 PolarHBondContact O-N 3.24Å
290	T	41.2	Very low	39.7	Very low	82 Å²	82	106.5 Å²	106.5	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-41.2	175.1	-45.7	0	0	0	0	111.2	F294	T290-F294 WeakPolarHBondContact O-CB 3.48Å; T290-F294 PolarHBondContact O-N 2.71Å
291	F	45.3	Very low	40.1	Very low	132 Å²	132	103.1 Å²	103.1	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-65.9	-44.7	177.3	-173.4	-101.1	0	0	0	112.6	W287 S288 F294 V295	W287-F291 WeakPolarHBondContact O-CB 3.18Å; W287-F291 PolarHBondContact O-N 3.32Å; W287-F291 VanDerWaalsContact O-N 3.16Å; S288-F291 PolarHBondContact O-N 2.84Å; F291-F294 PolarHBondContact O-N 3.46Å; F291-V295 HydrophobicContact CD1-CG2 4.24Å; F291-V295 HydrophobicContact CD2-CG2 4.49Å; F291-V295 HydrophobicContact CE1-CG2 3.9Å; F291-V295 HydrophobicContact CE2-CG2 4.17Å; F291-V295 HydrophobicContact CZ-CG2 3.86Å; F291-V295 VanDerWaalsContact O-CG2 3.32Å; F291-V295 WeakPolarHBondContact O-CG2 3.22Å; F291-V295 PolarHBondContact O-N 3.3Å
292	V	45.6	Very low	40.9	Very low	77 Å²	77	102.2 Å²	102.2	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-43.3	177.7	171.7	0	0	0	0	111.3	S288 V295 S296	S288-V292 VanDerWaalsContact O-CG2 3.3Å; S288-V292 WeakPolarHBondContact O-CG2 3.4Å; S288-V292 PolarHBondContact O-N 2.83Å; V292-V295 PolarHBondContact O-N 3.41Å; V292-S296 WeakPolarHBondContact O-CB 3.44Å; V292-S296 PolarHBondContact O-N 3.07Å; V292-S296 PolarHBondContact O-OG 3.12Å
293	I	46.2	Very low	41.7	Very low	99 Å²	99	102.6 Å²	102.6	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-63.8	-44.6	175.6	-68.2	166.8	0	0	0	110.5	T289 V295 S296 L297	T289-I293 WeakPolarHBondContact O-CB 3.45Å; T289-I293 WeakPolarHBondContact O-CD1 3.21Å; T289-I293 WeakPolarHBondContact O-CG1 3.34Å; T289-I293 PolarHBondContact O-N 3.24Å; I293-V295 PolarHBondContact O-N 3.39Å; I293-S296 PolarHBondContact O-N 3.19Å; I293-L297 HydrophobicContact CG2-CD1 3.87Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CB 3.39Å; I293-L297 VanDerWaalsContact O-CG 3.23Å; I293-L297 WeakPolarHBondContact O-CG 3.48Å; I293-L297 PolarHBondContact O-N 3.35Å
294	F	45.2	Very low	42.5	Very low	90 Å²	90	98.2 Å²	98.2	40%	0.395	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-44.3	179.5	-173.8	-103.5	0	0	0	112	T290 F291 L297 I298	T290-F294 WeakPolarHBondContact O-CB 3.48Å; T290-F294 PolarHBondContact O-N 2.71Å; F291-F294 PolarHBondContact O-N 3.46Å; F294-L297 PolarHBondContact O-N 2.93Å; F294-I298 HydrophobicContact CD1-CD1 3.86Å; F294-I298 HydrophobicContact CE1-CD1 3.59Å; F294-I298 HydrophobicContact CZ-CD1 4.2Å; F294-I298 WeakPolarHBondContact O-CG1 3.38Å; F294-I298 PolarHBondContact O-N 2.91Å; F294-I298 VanDerWaalsContact O-N 3.15Å
295	V	46.7	Very low	43.2	Very low	29 Å²	29	94.7 Å²	94.7	18%	0.176	48%	0.479	C	S	.	.	H	α-helix	trans	-72.1	-41.4	179.4	174	0	0	0	0	112.2	F216 F291 V292 I293 L297 I298 I299	F216-V295 HydrophobicContact CE1-CG1 3.77Å; F216-V295 HydrophobicContact CZ-CG1 4.23Å; F291-V295 HydrophobicContact CD1-CG2 4.24Å; F291-V295 HydrophobicContact CD2-CG2 4.49Å; F291-V295 HydrophobicContact CE1-CG2 3.9Å; F291-V295 HydrophobicContact CE2-CG2 4.17Å; F291-V295 HydrophobicContact CZ-CG2 3.86Å; F291-V295 VanDerWaalsContact O-CG2 3.32Å; F291-V295 WeakPolarHBondContact O-CG2 3.22Å; F291-V295 PolarHBondContact O-N 3.3Å; V292-V295 PolarHBondContact O-N 3.41Å; I293-V295 PolarHBondContact O-N 3.39Å; V295-L297 PolarHBondContact O-N 2.74Å; V295-I298 WeakPolarHBondContact O-CB 3.27Å; V295-I298 PolarHBondContact O-N 2.84Å; V295-I298 VanDerWaalsContact O-N 3.07Å; V295-I299 HydrophobicContact CG1-CD1 4.13Å; V295-I299 WeakPolarHBondContact O-CG1 3.18Å; V295-I299 PolarHBondContact O-N 3.43Å
296	S	44.5	Very low	43.8	Very low	67 Å²	67	91.3 Å²	91.3	47%	0.469	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-35.6	175	-66	0	0	0	0	112.1	V292 I293 I299 L300	V292-S296 WeakPolarHBondContact O-CB 3.44Å; V292-S296 PolarHBondContact O-N 3.07Å; V292-S296 PolarHBondContact O-OG 3.12Å; I293-S296 PolarHBondContact O-N 3.19Å; S296-I299 PolarHBondContact O-N 3.01Å; S296-L300 WeakPolarHBondContact O-CB 3.42Å; S296-L300 PolarHBondContact O-N 3.01Å
297	L	47.8	Very low	44	Very low	58 Å²	58	92 Å²	92	30%	0.304	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-37.4	173.3	-72	169.6	0	0	0	112.1	I293 F294 V295 H301	I293-L297 HydrophobicContact CG2-CD1 3.87Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CB 3.39Å; I293-L297 VanDerWaalsContact O-CG 3.23Å; I293-L297 WeakPolarHBondContact O-CG 3.48Å; I293-L297 PolarHBondContact O-N 3.35Å; F294-L297 PolarHBondContact O-N 2.93Å; V295-L297 PolarHBondContact O-N 2.74Å; L297-H301 VanDerWaalsContact O-CB 3.24Å; L297-H301 WeakPolarHBondContact O-CB 3.37Å; L297-H301 PolarHBondContact O-N 3.27Å
298	I	48.6	Very low	44.5	Very low	67 Å²	67	86 Å²	86	34%	0.344	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-45.4	174	-68.3	166.9	0	0	0	110.9	F294 V295 H301 L302	F294-I298 HydrophobicContact CD1-CD1 3.86Å; F294-I298 HydrophobicContact CE1-CD1 3.59Å; F294-I298 HydrophobicContact CZ-CD1 4.2Å; F294-I298 WeakPolarHBondContact O-CG1 3.38Å; F294-I298 PolarHBondContact O-N 2.91Å; F294-I298 VanDerWaalsContact O-N 3.15Å; V295-I298 WeakPolarHBondContact O-CB 3.27Å; V295-I298 PolarHBondContact O-N 2.84Å; V295-I298 VanDerWaalsContact O-N 3.07Å; I298-H301 PolarHBondContact O-N 3.5Å; I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 HydrophobicContact CG2-CG 4.49Å; I298-L302 WeakPolarHBondContact O-CG 3.47Å; I298-L302 PolarHBondContact O-N 3.48Å
299	I	46.7	Very low	44.2	Very low	84 Å²	84	92 Å²	92	43%	0.431	46%	0.463	S	S	.	.	H	α-helix	trans	-63.6	-45.8	179.2	-65.9	170.5	0	0	0	110.7	F216 V295 S296 H301 L302 N303	F216-I299 HydrophobicContact CE2-CD1 4.44Å; F216-I299 HydrophobicContact CZ-CD1 3.99Å; V295-I299 HydrophobicContact CG1-CD1 4.13Å; V295-I299 WeakPolarHBondContact O-CG1 3.18Å; V295-I299 PolarHBondContact O-N 3.43Å; S296-I299 PolarHBondContact O-N 3.01Å; I299-H301 VanDerWaalsContact C-N 3.28Å; I299-H301 PolarHBondContact O-N 3.34Å; I299-L302 PolarHBondContact O-N 3Å; I299-N303 WeakPolarHBondContact O-CB 3.3Å; I299-N303 PolarHBondContact O-N 3.3Å
300	L	48.3	Very low	44.2	Very low	97 Å²	97	92 Å²	92	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-38.1	177	-168.8	70.2	0	0	0	111.5	S296 N303 N304	S296-L300 WeakPolarHBondContact O-CB 3.42Å; S296-L300 PolarHBondContact O-N 3.01Å; L300-N303 PolarHBondContact O-N 3.03Å; L300-N304 WeakPolarHBondContact O-CB 3.34Å; L300-N304 PolarHBondContact O-N 2.9Å
301	H	45.6	Very low	43.9	Very low	46 Å²	46	91.2 Å²	91.2	21%	0.213	46%	0.457	C	S	.	.	H	α-helix	trans	-65.8	-45.6	176.4	-174.2	67.3	0	0	0	112.5	L297 I298 I299 N303 N304 R305 Y355	L297-H301 VanDerWaalsContact O-CB 3.24Å; L297-H301 WeakPolarHBondContact O-CB 3.37Å; L297-H301 PolarHBondContact O-N 3.27Å; I298-H301 PolarHBondContact O-N 3.5Å; I299-H301 VanDerWaalsContact C-N 3.28Å; I299-H301 PolarHBondContact O-N 3.34Å; H301-N303 VanDerWaalsContact C-N 3.31Å; H301-N303 PolarHBondContact O-N 2.92Å; H301-N304 PolarHBondContact O-N 3.18Å; H301-R305 PolarHBondContact O-N 3.25Å; H301-R305 VanDerWaalsContact O-N 3.09Å; H301-Y355 AromaticContact ND1-CE2 3.7Å
302	L	45.8	Very low	43.2	Very low	119 Å²	119	87.8 Å²	87.8	62%	0.623	45%	0.449	S	S	*	.	H	α-helix	trans	-59.5	-42.3	175.7	-73.1	170.1	0	0	0	111.6	I298 I299 Y306	I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 HydrophobicContact CG2-CG 4.49Å; I298-L302 WeakPolarHBondContact O-CG 3.47Å; I298-L302 PolarHBondContact O-N 3.48Å; I299-L302 PolarHBondContact O-N 3Å; L302-Y306 PolarHBondContact O-N 3.4Å; L302-Y306 VanDerWaalsContact O-N 3.13Å
303	N	44.4	Very low	42.6	Very low	103 Å²	103	91.9 Å²	91.9	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-68.9	-44.3	-179.4	-153.4	14.1	0	0	0	112.1	I299 L300 H301 R305 Y306 S307	I299-N303 WeakPolarHBondContact O-CB 3.3Å; I299-N303 PolarHBondContact O-N 3.3Å; L300-N303 PolarHBondContact O-N 3.03Å; H301-N303 VanDerWaalsContact C-N 3.31Å; H301-N303 PolarHBondContact O-N 2.92Å; N303-R305 PolarHBondContact O-N 2.92Å; N303-Y306 PolarHBondContact O-N 3.41Å; N303-S307 PolarHBondContact O-N 2.96Å
304	N	44.1	Very low	41.9	Very low	84 Å²	84	95 Å²	95	45%	0.449	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-38.2	178.6	-77.3	-9.4	0	0	0	112.5	L300 H301 S307 E308	L300-N304 WeakPolarHBondContact O-CB 3.34Å; L300-N304 PolarHBondContact O-N 2.9Å; H301-N304 PolarHBondContact O-N 3.18Å; N304-S307 WeakPolarHBondContact O-CB 3.4Å; N304-S307 PolarHBondContact O-N 3.24Å; N304-E308 PolarHBondContact O-N 3.03Å; N304-E308 VanDerWaalsContact O-N 3.11Å
305	R	45.7	Very low	41.1	Very low	126 Å²	126	98.6 Å²	98.6	48%	0.475	49%	0.488	S	S	.	.	H	α-helix	trans	-77.8	-30.1	179.5	-91.4	-79.8	161.6	142.8	-7.7	114	H301 N303 S307 E308 R309	H301-R305 PolarHBondContact O-N 3.25Å; H301-R305 VanDerWaalsContact O-N 3.09Å; N303-R305 PolarHBondContact O-N 2.92Å; R305-S307 VanDerWaalsContact C-N 3.27Å; R305-S307 PolarHBondContact O-N 3.17Å; R305-E308 WeakPolarHBondContact CD-OE2 3.3Å; R305-E308 IonicContact CZ-OE2 2.93Å; R305-E308 IonicContact NE-OE2 3.19Å; R305-E308 PolarHBondContact NE-OE2 3.38Å; R305-E308 IonicContact NH2-OE2 2.97Å; R305-E308 PolarHBondContact NH2-OE2 2.82Å; R305-E308 PolarHBondContact O-N 3.45Å; R305-R309 PolarHBondContact O-N 2.94Å
306	Y	44	Very low	40.3	Very low	129 Å²	129	104.1 Å²	104.1	51%	0.506	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-38.9	170.3	-167.1	-99.2	0	0	0	110.9	L302 N303 R309 I310	L302-Y306 PolarHBondContact O-N 3.4Å; L302-Y306 VanDerWaalsContact O-N 3.13Å; N303-Y306 PolarHBondContact O-N 3.41Å; Y306-R309 PolarHBondContact O-N 3.46Å; Y306-I310 HydrophobicContact CD1-CD1 3.93Å; Y306-I310 HydrophobicContact CE1-CD1 3.77Å; Y306-I310 HydrophobicContact CE1-CG1 4.38Å; Y306-I310 PolarHBondContact O-N 2.81Å
307	S	39.9	Very low	39.5	Very low	78 Å²	78	105.6 Å²	105.6	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-43.3	173.5	-157.7	0	0	0	0	112.6	N303 N304 R305 R309 I310 S311	N303-S307 PolarHBondContact O-N 2.96Å; N304-S307 WeakPolarHBondContact O-CB 3.4Å; N304-S307 PolarHBondContact O-N 3.24Å; R305-S307 VanDerWaalsContact C-N 3.27Å; R305-S307 PolarHBondContact O-N 3.17Å; S307-R309 VanDerWaalsContact C-N 3.35Å; S307-R309 PolarHBondContact O-N 3.37Å; S307-I310 PolarHBondContact O-N 3.34Å; S307-S311 PolarHBondContact O-N 3.5Å
308	E	37.9	Very low	38.5	Very low	99 Å²	99	107.6 Å²	107.6	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-30.1	173.9	-77	-177	169.2	0	0	113.4	N304 R305 S311 S312	N304-E308 PolarHBondContact O-N 3.03Å; N304-E308 VanDerWaalsContact O-N 3.11Å; R305-E308 WeakPolarHBondContact CD-OE2 3.3Å; R305-E308 IonicContact CZ-OE2 2.93Å; R305-E308 IonicContact NE-OE2 3.19Å; R305-E308 PolarHBondContact NE-OE2 3.38Å; R305-E308 IonicContact NH2-OE2 2.97Å; R305-E308 PolarHBondContact NH2-OE2 2.82Å; R305-E308 PolarHBondContact O-N 3.45Å; E308-S311 WeakPolarHBondContact CA-OG 3.46Å; E308-S311 PolarHBondContact O-N 2.91Å; E308-S311 PolarHBondContact O-OG 3.47Å; E308-S312 PolarHBondContact O-N 3.38Å
309	R	36.1	Very low	37.4	Very low	179 Å²	179	113 Å²	113	68%	0.675	57%	0.57	S	S	*	*	H	α-helix	trans	-70.4	-34.7	176.9	-140.7	178.4	-162.3	-179.8	4.4	111.7	R305 Y306 S307 S311 S312 F313	R305-R309 PolarHBondContact O-N 2.94Å; Y306-R309 PolarHBondContact O-N 3.46Å; S307-R309 VanDerWaalsContact C-N 3.35Å; S307-R309 PolarHBondContact O-N 3.37Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S312 WeakPolarHBondContact CA-OG 3.44Å; R309-S312 PolarHBondContact O-N 2.81Å; R309-S312 PolarHBondContact O-OG 3.46Å; R309-F313 PolarHBondContact O-N 3.32Å
310	I	39.3	Very low	36.6	Very low	87 Å²	87	116.3 Å²	116.3	45%	0.446	59%	0.589	S	S	.	*	H	α-helix	trans	-63	-39.2	171.9	-67.6	167.9	0	0	0	110.8	Y306 S307 F313 K314	Y306-I310 HydrophobicContact CD1-CD1 3.93Å; Y306-I310 HydrophobicContact CE1-CD1 3.77Å; Y306-I310 HydrophobicContact CE1-CG1 4.38Å; Y306-I310 PolarHBondContact O-N 2.81Å; S307-I310 PolarHBondContact O-N 3.34Å; I310-F313 PolarHBondContact O-N 3.41Å; I310-K314 PolarHBondContact O-N 2.85Å
311	S	34.2	Very low	35.6	Very low	66 Å²	66	120.2 Å²	120.2	46%	0.462	60%	0.604	S	S	.	*	H	α-helix	trans	-70.4	-34.8	175.8	67.2	0	0	0	0	112.4	S307 E308 R309 K314	S307-S311 PolarHBondContact O-N 3.5Å; E308-S311 WeakPolarHBondContact CA-OG 3.46Å; E308-S311 PolarHBondContact O-N 2.91Å; E308-S311 PolarHBondContact O-OG 3.47Å; R309-S311 VanDerWaalsContact C-N 3.32Å; S311-K314 PolarHBondContact O-N 3.31Å
312	S	30.4	Very low	34.8	Very low	60 Å²	60	124.3 Å²	124.3	42%	0.42	63%	0.632	S	S	.	*	H	α-helix	trans	-69.1	-33.6	174.1	73.2	0	0	0	0	113.5	E308 R309 K314 H315	E308-S312 PolarHBondContact O-N 3.38Å; R309-S312 WeakPolarHBondContact CA-OG 3.44Å; R309-S312 PolarHBondContact O-N 2.81Å; R309-S312 PolarHBondContact O-OG 3.46Å; S312-K314 VanDerWaalsContact C-N 3.26Å; S312-K314 PolarHBondContact O-N 2.99Å; S312-H315 PolarHBondContact O-N 3.34Å
313	F	32.2	Very low	34.3	Very low	163 Å²	163	128.3 Å²	128.3	72%	0.715	65%	0.645	S	S	*	*	H	α-helix	trans	-68	-27.7	175.5	-116.3	-86	0	0	0	112.3	R309 I310 H315	R309-F313 PolarHBondContact O-N 3.32Å; I310-F313 PolarHBondContact O-N 3.41Å; F313-H315 VanDerWaalsContact C-N 3.26Å; F313-H315 PolarHBondContact O-N 3.33Å
314	K	32.7	Very low	33.7	Very low	164 Å²	164	127.9 Å²	127.9	71%	0.713	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-20.2	174.1	-78.4	-175.6	174.4	-175.2	0	113.7	I310 S311 S312	I310-K314 PolarHBondContact O-N 2.85Å; S311-K314 PolarHBondContact O-N 3.31Å; S312-K314 VanDerWaalsContact C-N 3.26Å; S312-K314 PolarHBondContact O-N 2.99Å
315	H	29	Very low	32.9	Very low	165 Å²	165	128.2 Å²	128.2	76%	0.764	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-17	-177.3	-91.2	-62.1	0	0	0	114.8	S312 F313	S312-H315 PolarHBondContact O-N 3.34Å; F313-H315 VanDerWaalsContact C-N 3.26Å; F313-H315 PolarHBondContact O-N 3.33Å
316	N	28.5	Very low	32.1	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	67%	0.672	S	S	*	*	S	Bend	trans	-108.3	11.1	-178.4	-76.3	2.8	0	0	0	114.2	S318	N316-S318 PolarHBondContact O-N 3.31Å
317	S	27.7	Very low	31.3	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	69%	0.687	S	S	*	*			trans	-97.8	66.1	173.8	63.3	0	0	0	0	111
318	S	26.8	Very low	30.7	Very low	101 Å²	101	137.9 Å²	137.9	71%	0.706	70%	0.696	S	S	*	*			trans	-112.4	115.6	157.9	54.9	0	0	0	0	108.2	N316	N316-S318 PolarHBondContact O-N 3.31Å
319	E	27.1	Very low	30.2	Very low	181 Å²	181	139 Å²	139	85%	0.846	70%	0.704	S	S	*	*	S	Bend	trans	65	114.6	158.8	-61.3	-175.4	165.3	0	0	119.5
320	N	28.5	Very low	30	Very low	153 Å²	153	136.6 Å²	136.6	82%	0.818	71%	0.709	S	S	*	*			trans	39.3	103.5	139	-64.5	-20.2	0	0	0	118.9
321	E	26.8	Very low	29.5	Very low	178 Å²	178	136.3 Å²	136.3	83%	0.832	72%	0.719	S	S	*	*			trans	176.1	78.7	136.2	-99.9	176.3	-158.9	0	0	110
322	V	29.6	Very low	29.2	Very low	133 Å²	133	141.6 Å²	141.6	81%	0.806	73%	0.731	S	S	*	*			trans	-124.5	47	174.4	-165.5	0	0	0	0	111
323	F	34.9	Very low	29.6	Very low	203 Å²	203	146.5 Å²	146.5	89%	0.89	75%	0.747	S	S	*	*	S	Bend	trans	-124.2	-1.9	174.5	-111.3	-83.8	0	0	0	118.2
324	P	31.2	Very low	29.7	Very low	93 Å²	93	144.4 Å²	144.4	60%	0.604	75%	0.747	S	S	*	*	S	Bend	trans	-120	-7	164.2	9.7	12.2	0	0	0	117.3	L326	P324-L326 VanDerWaalsContact C-N 3.28Å; P324-L326 PolarHBondContact O-N 3.47Å
325	V	28.2	Very low	29.8	Very low	91 Å²	91	140.9 Å²	140.9	55%	0.552	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-73.8	-17.3	-177.2	-179	0	0	0	0	113.3	Y327 H328 I329	V325-Y327 PolarHBondContact O-N 3.38Å; V325-H328 PolarHBondContact O-N 3.11Å; V325-I329 HydrophobicContact CG1-CD1 3.99Å
326	L	29	Very low	30.5	Very low	170 Å²	170	136.4 Å²	136.4	89%	0.89	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-71.2	-14.6	-179	-148.1	73.9	0	0	0	113.8	P324	P324-L326 VanDerWaalsContact C-N 3.28Å; P324-L326 PolarHBondContact O-N 3.47Å
327	Y	28.1	Very low	31.1	Very low	209 Å²	209	134.3 Å²	134.3	82%	0.82	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-90.8	-11.9	-179.5	-141.6	-93.4	0	0	0	114.2	V325	V325-Y327 PolarHBondContact O-N 3.38Å
328	H	26	Very low	31.6	Very low	158 Å²	158	137.5 Å²	137.5	73%	0.731	72%	0.716	S	S	*	*	S	Bend	trans	-108	0.5	-173.6	-99	-64.6	0	0	0	116	V325	V325-H328 PolarHBondContact O-N 3.11Å
329	I	28.2	Very low	32.3	Very low	123 Å²	123	138 Å²	138	63%	0.631	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-91.2	-8.3	-175.1	-65.5	177	0	0	0	113.6	V325 A331	V325-I329 HydrophobicContact CG1-CD1 3.99Å; I329-A331 PolarHBondContact O-N 3.34Å
330	T	30.7	Very low	33.3	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-75.1	0.9	178	47	0	0	0	0	115.1
331	A	30.6	Very low	33.9	Very low	80 Å²	80	131.8 Å²	131.8	66%	0.661	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-118.6	5	-170.9	0	0	0	0	0	116.8	I329	I329-A331 PolarHBondContact O-N 3.34Å
332	Y	27.3	Very low	34.8	Very low	178 Å²	178	130.1 Å²	130.1	70%	0.698	66%	0.66	S	S	*	*			trans	-124.3	56.1	-175	-102.6	-92.8	0	0	0	113.2	T335	Y332-T335 WeakPolarHBondContact CD1-OG1 3.05Å; Y332-T335 WeakPolarHBondContact CE1-OG1 3.3Å
333	E	37.6	Very low	35.7	Very low	163 Å²	163	127.6 Å²	127.6	76%	0.762	64%	0.642	S	S	*	*	S	Bend	trans	-84	-15.1	-174.3	-77.6	-168.4	152.5	0	0	116.2
334	V	36.2	Very low	36	Very low	119 Å²	119	121.4 Å²	121.4	72%	0.721	62%	0.617	S	S	*	*	S	Bend	trans	-107.7	-34.9	-172.4	-175.5	0	0	0	0	114.3	S336	V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 2.94Å
335	T	33.5	Very low	36.3	Very low	90 Å²	90	123.2 Å²	123.2	55%	0.552	62%	0.616	S	S	*	*	H	α-helix	trans	-75.9	-20.1	177.6	32.2	0	0	0	0	113.3	Y332 H339	Y332-T335 WeakPolarHBondContact CD1-OG1 3.05Å; Y332-T335 WeakPolarHBondContact CE1-OG1 3.3Å; T335-H339 PolarHBondContact O-N 3.41Å
336	S	44.5	Very low	36.9	Very low	70 Å²	70	125.1 Å²	125.1	49%	0.49	62%	0.619	S	S	.	*	H	α-helix	trans	-63.2	-41.1	179.2	169.5	0	0	0	0	113.4	V334 H339 F340	V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 2.94Å; S336-H339 PolarHBondContact O-N 3.31Å; S336-F340 WeakPolarHBondContact O-CB 3.43Å; S336-F340 PolarHBondContact O-N 3.41Å
337	I	40	Very low	37.8	Very low	102 Å²	102	121.4 Å²	121.4	52%	0.523	60%	0.603	S	S	.	*	H	α-helix	trans	-69.4	-43	-174.8	-67	170.5	0	0	0	111.3	F340 I341	I337-F340 PolarHBondContact O-N 2.98Å; I337-I341 HydrophobicContact CG2-CD1 3.71Å; I337-I341 HydrophobicContact CG2-CG1 4.35Å; I337-I341 WeakPolarHBondContact O-CB 3.45Å; I337-I341 VanDerWaalsContact O-CG1 3.24Å; I337-I341 WeakPolarHBondContact O-CG1 3.19Å; I337-I341 PolarHBondContact O-N 3.02Å
338	F	38.9	Very low	38.6	Very low	164 Å²	164	114.3 Å²	114.3	72%	0.719	58%	0.579	S	S	*	*	H	α-helix	trans	-67	-38.2	176.1	-84.8	-77.8	0	0	0	111.9	F340 I341 Y342	F338-F340 VanDerWaalsContact C-N 3.35Å; F338-I341 PolarHBondContact O-N 2.9Å; F338-Y342 WeakPolarHBondContact O-CB 3.26Å; F338-Y342 PolarHBondContact O-N 3.44Å
339	H	42.2	Very low	39.6	Very low	112 Å²	112	111.7 Å²	111.7	52%	0.519	57%	0.57	S	S	.	*	H	α-helix	trans	-69.8	-34.2	175.9	-153.4	-21.7	0	0	0	112.1	T335 S336 N343	T335-H339 PolarHBondContact O-N 3.41Å; S336-H339 PolarHBondContact O-N 3.31Å; H339-N343 PolarHBondContact CE1-OD1 3.43Å; H339-N343 PolarHBondContact ND1-ND2 3.44Å; H339-N343 PolarHBondContact ND1-OD1 2.99Å; H339-N343 WeakPolarHBondContact O-CB 3.3Å; H339-N343 PolarHBondContact O-N 3.45Å; H339-N343 PolarHBondContact O-ND2 3.13Å
340	F	47.5	Very low	40.5	Very low	131 Å²	131	109.4 Å²	109.4	58%	0.575	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-45.7	173.8	-178	-107.2	0	0	0	111.5	S336 I337 F338 N343 I344	S336-F340 WeakPolarHBondContact O-CB 3.43Å; S336-F340 PolarHBondContact O-N 3.41Å; I337-F340 PolarHBondContact O-N 2.98Å; F338-F340 VanDerWaalsContact C-N 3.35Å; F340-N343 PolarHBondContact O-N 3.09Å; F340-I344 HydrophobicContact CD1-CD1 3.6Å; F340-I344 HydrophobicContact CE1-CD1 3.31Å; F340-I344 HydrophobicContact CE2-CD1 4.27Å; F340-I344 HydrophobicContact CG-CD1 4.21Å; F340-I344 HydrophobicContact CZ-CD1 3.68Å; F340-I344 WeakPolarHBondContact O-CB 3.46Å; F340-I344 WeakPolarHBondContact O-CG1 3.24Å; F340-I344 PolarHBondContact O-N 3.21Å
341	I	41.9	Very low	41.3	Very low	72 Å²	72	106.6 Å²	106.6	37%	0.369	55%	0.549	S	S	.	.	H	α-helix	trans	-65.2	-44.2	174.8	-67.9	169.8	0	0	0	110.5	I337 F338 N343 I344 F345	I337-I341 HydrophobicContact CG2-CD1 3.71Å; I337-I341 HydrophobicContact CG2-CG1 4.35Å; I337-I341 WeakPolarHBondContact O-CB 3.45Å; I337-I341 VanDerWaalsContact O-CG1 3.24Å; I337-I341 WeakPolarHBondContact O-CG1 3.19Å; I337-I341 PolarHBondContact O-N 3.02Å; F338-I341 PolarHBondContact O-N 2.9Å; I341-N343 PolarHBondContact O-N 3.45Å; I341-I344 WeakPolarHBondContact O-CB 3.29Å; I341-I344 PolarHBondContact O-N 3.47Å; I341-F345 HydrophobicContact CG2-CD2 3.66Å; I341-F345 HydrophobicContact CG2-CE2 3.82Å; I341-F345 WeakPolarHBondContact O-CD2 3.14Å; I341-F345 PolarHBondContact O-N 2.93Å
342	Y	45.7	Very low	42.4	Very low	143 Å²	143	105.7 Å²	105.7	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-60.3	-44	175.3	-179.1	-96.6	0	0	0	111.5	F338 I344 F345 H346	F338-Y342 WeakPolarHBondContact O-CB 3.26Å; F338-Y342 PolarHBondContact O-N 3.44Å; Y342-I344 VanDerWaalsContact C-N 3.34Å; Y342-I344 PolarHBondContact O-N 3.03Å; Y342-F345 PolarHBondContact O-N 3.14Å; Y342-H346 VanDerWaalsContact O-CB 3.24Å; Y342-H346 WeakPolarHBondContact O-CB 3.45Å; Y342-H346 PolarHBondContact O-N 3.4Å
343	N	46.5	Very low	43.5	Very low	81 Å²	81	100.5 Å²	100.5	43%	0.433	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-37.1	175.7	-73.9	-20	0	0	0	111.8	H339 F340 I341 V347	H339-N343 PolarHBondContact CE1-OD1 3.43Å; H339-N343 PolarHBondContact ND1-ND2 3.44Å; H339-N343 PolarHBondContact ND1-OD1 2.99Å; H339-N343 WeakPolarHBondContact O-CB 3.3Å; H339-N343 PolarHBondContact O-N 3.45Å; H339-N343 PolarHBondContact O-ND2 3.13Å; F340-N343 PolarHBondContact O-N 3.09Å; I341-N343 PolarHBondContact O-N 3.45Å; N343-V347 VanDerWaalsContact O-CB 3.32Å; N343-V347 WeakPolarHBondContact O-CB 3.06Å; N343-V347 WeakPolarHBondContact O-CG2 3.23Å; N343-V347 PolarHBondContact O-N 3.06Å; N343-V347 VanDerWaalsContact O-N 3.11Å
344	I	42.6	Very low	44.1	Very low	72 Å²	72	96.8 Å²	96.8	37%	0.369	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-49.3	172.9	-73.8	166.9	0	0	0	110.3	F340 I341 Y342 V347 I348	F340-I344 HydrophobicContact CD1-CD1 3.6Å; F340-I344 HydrophobicContact CE1-CD1 3.31Å; F340-I344 HydrophobicContact CE2-CD1 4.27Å; F340-I344 HydrophobicContact CG-CD1 4.21Å; F340-I344 HydrophobicContact CZ-CD1 3.68Å; F340-I344 WeakPolarHBondContact O-CB 3.46Å; F340-I344 WeakPolarHBondContact O-CG1 3.24Å; F340-I344 PolarHBondContact O-N 3.21Å; I341-I344 WeakPolarHBondContact O-CB 3.29Å; I341-I344 PolarHBondContact O-N 3.47Å; Y342-I344 VanDerWaalsContact C-N 3.34Å; Y342-I344 PolarHBondContact O-N 3.03Å; I344-V347 PolarHBondContact O-N 2.97Å; I344-I348 HydrophobicContact CG2-CD1 3.71Å; I344-I348 VanDerWaalsContact O-CD1 3.26Å; I344-I348 WeakPolarHBondContact O-CD1 3.24Å; I344-I348 WeakPolarHBondContact O-CG1 3.32Å; I344-I348 PolarHBondContact O-N 3.06Å
345	F	37.2	Very low	44.9	Very low	131 Å²	131	95.1 Å²	95.1	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-68.5	-37.5	-179	-88.2	-76.6	0	0	0	113.1	I341 Y342 V347 I348	I341-F345 HydrophobicContact CG2-CD2 3.66Å; I341-F345 HydrophobicContact CG2-CE2 3.82Å; I341-F345 WeakPolarHBondContact O-CD2 3.14Å; I341-F345 PolarHBondContact O-N 2.93Å; Y342-F345 PolarHBondContact O-N 3.14Å; F345-V347 VanDerWaalsContact C-N 3.32Å; F345-V347 PolarHBondContact O-N 2.92Å; F345-I348 PolarHBondContact O-N 2.9Å
346	H	40.8	Very low	46	Very low	131 Å²	131	94.5 Å²	94.5	61%	0.606	48%	0.482	S	S	*	.	H	α-helix	trans	-67	-33.2	177.5	-165.6	-75	0	0	0	112	Y342	Y342-H346 VanDerWaalsContact O-CB 3.24Å; Y342-H346 WeakPolarHBondContact O-CB 3.45Å; Y342-H346 PolarHBondContact O-N 3.4Å
347	V	47.5	Very low	46.6	Very low	92 Å²	92	97.9 Å²	97.9	56%	0.558	49%	0.489	S	S	*	.	H	α-helix	trans	-72.9	-26.4	177.2	168.9	0	0	0	0	112.6	N343 I344 F345	N343-V347 VanDerWaalsContact O-CB 3.32Å; N343-V347 WeakPolarHBondContact O-CB 3.06Å; N343-V347 WeakPolarHBondContact O-CG2 3.23Å; N343-V347 PolarHBondContact O-N 3.06Å; N343-V347 VanDerWaalsContact O-N 3.11Å; I344-V347 PolarHBondContact O-N 2.97Å; F345-V347 VanDerWaalsContact C-N 3.32Å; F345-V347 PolarHBondContact O-N 2.92Å
348	I	45.8	Very low	47.5	Very low	61 Å²	61	97.7 Å²	97.7	31%	0.313	49%	0.488	S	S	.	.	H	α-helix	trans	-78.6	-32.4	-173.3	-73.1	165.2	0	0	0	113.2	I344 F345 A350 L352	I344-I348 HydrophobicContact CG2-CD1 3.71Å; I344-I348 VanDerWaalsContact O-CD1 3.26Å; I344-I348 WeakPolarHBondContact O-CD1 3.24Å; I344-I348 WeakPolarHBondContact O-CG1 3.32Å; I344-I348 PolarHBondContact O-N 3.06Å; F345-I348 PolarHBondContact O-N 2.9Å; I348-A350 PolarHBondContact O-N 3.16Å; I348-L352 HydrophobicContact CG2-CB 4.07Å; I348-L352 HydrophobicContact CG2-CD2 3.8Å; I348-L352 HydrophobicContact CG2-CG 4.39Å; I348-L352 WeakPolarHBondContact O-CB 3.06Å; I348-L352 PolarHBondContact O-N 3.19Å
349	N	46.4	Very low	48.4	Very low	103 Å²	103	91.3 Å²	91.3	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-69.6	-38.1	-156.7	-85	-21.9	0	0	0	116.6	V353	N349-V353 WeakPolarHBondContact O-CB 3.35Å; N349-V353 WeakPolarHBondContact O-CG2 3.38Å; N349-V353 PolarHBondContact O-N 3.09Å
350	A	47.4	Very low	49.4	Very low	74 Å²	74	90.5 Å²	90.5	61%	0.612	47%	0.468	S	S	*	.	H	α-helix	trans	-78.8	-46.7	-171.9	0	0	0	0	0	113.6	I348 V353 V354	I348-A350 PolarHBondContact O-N 3.16Å; A350-V353 PolarHBondContact O-N 3.32Å; A350-V354 PolarHBondContact O-N 3.09Å
351	N	47.5	Very low	49.9	Very low	69 Å²	69	91.4 Å²	91.4	37%	0.369	47%	0.471	S	S	.	.	H	α-helix	trans	-77.4	-34.4	-176.8	-73.1	-31.8	0	0	0	112.3	V353 V354 Y355	N351-V353 PolarHBondContact O-N 3.24Å; N351-V354 PolarHBondContact O-N 3.42Å; N351-V354 VanDerWaalsContact O-N 3.15Å; N351-Y355 HydrophobicContact CB-CD2 4.45Å; N351-Y355 HydrophobicContact CB-CE2 4.14Å; N351-Y355 WeakPolarHBondContact O-CD2 3.26Å; N351-Y355 PolarHBondContact O-N 3.3Å
352	L	53.1	Low	50.8	Low	62 Å²	62	92.4 Å²	92.4	33%	0.325	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-39.1	173.5	-167.6	82.8	0	0	0	110.6	I348 Y355 L356	I348-L352 HydrophobicContact CG2-CB 4.07Å; I348-L352 HydrophobicContact CG2-CD2 3.8Å; I348-L352 HydrophobicContact CG2-CG 4.39Å; I348-L352 WeakPolarHBondContact O-CB 3.06Å; I348-L352 PolarHBondContact O-N 3.19Å; L352-Y355 PolarHBondContact O-N 3.44Å; L352-L356 HydrophobicContact CD2-CD1 4.24Å; L352-L356 HydrophobicContact CG-CD1 4.13Å; L352-L356 VanDerWaalsContact O-CB 3.29Å; L352-L356 WeakPolarHBondContact O-CB 3.27Å; L352-L356 PolarHBondContact O-N 3.14Å
353	V	51.4	Low	51.3	Low	68 Å²	68	91 Å²	91	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-61.9	-44.3	174.5	168.5	0	0	0	0	111	N349 A350 N351 L356 F357	N349-V353 WeakPolarHBondContact O-CB 3.35Å; N349-V353 WeakPolarHBondContact O-CG2 3.38Å; N349-V353 PolarHBondContact O-N 3.09Å; A350-V353 PolarHBondContact O-N 3.32Å; N351-V353 PolarHBondContact O-N 3.24Å; V353-L356 PolarHBondContact O-N 3.19Å; V353-F357 HydrophobicContact CG1-CD2 3.54Å; V353-F357 HydrophobicContact CG1-CE2 3.48Å; V353-F357 VanDerWaalsContact CG1-CE2 3.48Å; V353-F357 WeakPolarHBondContact O-CB 3.48Å; V353-F357 WeakPolarHBondContact O-CD2 3.47Å; V353-F357 PolarHBondContact O-N 3.22Å
354	V	50.4	Low	51.5	Low	86 Å²	86	93.5 Å²	93.5	52%	0.521	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.3	176.5	0	0	0	0	111.9	A350 N351 F357 L358	A350-V354 PolarHBondContact O-N 3.09Å; N351-V354 PolarHBondContact O-N 3.42Å; N351-V354 VanDerWaalsContact O-N 3.15Å; V354-F357 PolarHBondContact O-N 3.37Å; V354-L358 WeakPolarHBondContact O-CB 3.36Å; V354-L358 PolarHBondContact O-N 3.17Å
355	Y	52.1	Low	52	Low	84 Å²	84	98.3 Å²	98.3	33%	0.329	49%	0.494	S	S	.	.	H	α-helix	trans	-68.3	-36.1	176.8	-66.8	-55.6	0	0	0	112.5	H301 N351 L352 L358 G359	H301-Y355 AromaticContact ND1-CE2 3.7Å; N351-Y355 HydrophobicContact CB-CD2 4.45Å; N351-Y355 HydrophobicContact CB-CE2 4.14Å; N351-Y355 WeakPolarHBondContact O-CD2 3.26Å; N351-Y355 PolarHBondContact O-N 3.3Å; L352-Y355 PolarHBondContact O-N 3.44Å; Y355-L358 PolarHBondContact O-N 2.85Å; Y355-G359 PolarHBondContact O-N 3.31Å
356	L	56.2	Low	52.8	Low	77 Å²	77	97.4 Å²	97.4	40%	0.403	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-45.4	169.8	-100.3	149.7	0	0	0	110.9	L352 V353 L358 G359 L360	L352-L356 HydrophobicContact CD2-CD1 4.24Å; L352-L356 HydrophobicContact CG-CD1 4.13Å; L352-L356 VanDerWaalsContact O-CB 3.29Å; L352-L356 WeakPolarHBondContact O-CB 3.27Å; L352-L356 PolarHBondContact O-N 3.14Å; V353-L356 PolarHBondContact O-N 3.19Å; L356-L358 PolarHBondContact O-N 3.39Å; L356-G359 PolarHBondContact O-N 3.1Å; L356-L360 VanDerWaalsContact O-CB 3.26Å; L356-L360 WeakPolarHBondContact O-CB 3.11Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 3.32Å
357	F	58.1	Low	53	Low	141 Å²	141	99.8 Å²	99.8	62%	0.618	50%	0.498	S	S	*	.	H	α-helix	trans	-62	-42.8	175.5	-89.3	-68.1	0	0	0	111.7	V353 V354 L360 F361	V353-F357 HydrophobicContact CG1-CD2 3.54Å; V353-F357 HydrophobicContact CG1-CE2 3.48Å; V353-F357 VanDerWaalsContact CG1-CE2 3.48Å; V353-F357 WeakPolarHBondContact O-CB 3.48Å; V353-F357 WeakPolarHBondContact O-CD2 3.47Å; V353-F357 PolarHBondContact O-N 3.22Å; V354-F357 PolarHBondContact O-N 3.37Å; F357-L360 PolarHBondContact O-N 3.5Å; F357-F361 VanDerWaalsContact O-CB 3.29Å; F357-F361 WeakPolarHBondContact O-CB 3.4Å; F357-F361 PolarHBondContact O-N 2.78Å
358	L	57.8	Low	52.9	Low	97 Å²	97	100.7 Å²	100.7	51%	0.508	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-44.1	177.8	-170.2	67.4	0	0	0	111.6	V354 Y355 L356 F361 L362	V354-L358 WeakPolarHBondContact O-CB 3.36Å; V354-L358 PolarHBondContact O-N 3.17Å; Y355-L358 PolarHBondContact O-N 2.85Å; L356-L358 PolarHBondContact O-N 3.39Å; L358-F361 PolarHBondContact O-N 3.4Å; L358-L362 HydrophobicContact CG-CD1 4.45Å; L358-L362 WeakPolarHBondContact O-CB 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.38Å; L358-L362 PolarHBondContact O-N 3.2Å
359	G	58.8	Low	52.8	Low	30 Å²	30	103.3 Å²	103.3	31%	0.309	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-43	174	0	0	0	0	0	112.4	Y355 L356 F363	Y355-G359 PolarHBondContact O-N 3.31Å; L356-G359 PolarHBondContact O-N 3.1Å; G359-F363 VanDerWaalsContact O-CB 3.3Å; G359-F363 WeakPolarHBondContact O-CB 3.42Å; G359-F363 PolarHBondContact O-N 2.81Å
360	L	63.6	Low	52.9	Low	96 Å²	96	106.3 Å²	106.3	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-37.1	173.8	-74.6	169	0	0	0	112	L356 F357 F363 K364	L356-L360 VanDerWaalsContact O-CB 3.26Å; L356-L360 WeakPolarHBondContact O-CB 3.11Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 3.32Å; F357-L360 PolarHBondContact O-N 3.5Å; L360-F363 PolarHBondContact O-N 3.47Å; L360-K364 VanDerWaalsContact O-CB 3.27Å; L360-K364 WeakPolarHBondContact O-CB 3.17Å; L360-K364 PolarHBondContact O-N 3.28Å
361	F	57	Low	52.8	Low	149 Å²	149	105.7 Å²	105.7	65%	0.654	51%	0.512	S	S	*	.	H	α-helix	trans	-68.1	-44.3	177.6	-155.5	-88.1	0	0	0	111.3	F357 L358 K364 R365	F357-F361 VanDerWaalsContact O-CB 3.29Å; F357-F361 WeakPolarHBondContact O-CB 3.4Å; F357-F361 PolarHBondContact O-N 2.78Å; L358-F361 PolarHBondContact O-N 3.4Å; F361-K364 PolarHBondContact O-N 2.81Å; F361-R365 WeakPolarHBondContact O-CB 3.46Å; F361-R365 PolarHBondContact O-N 3.23Å
362	L	60.4	Low	52.4	Low	93 Å²	93	107.3 Å²	107.3	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-43.9	173.8	-69.9	172.3	0	0	0	111.2	L358 K364 R365 I366	L358-L362 HydrophobicContact CG-CD1 4.45Å; L358-L362 WeakPolarHBondContact O-CB 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.38Å; L358-L362 PolarHBondContact O-N 3.2Å; L362-K364 PolarHBondContact O-N 2.89Å; L362-R365 PolarHBondContact O-N 2.89Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.29Å; L362-I366 PolarHBondContact O-N 3.27Å
363	F	55.9	Low	51.6	Low	114 Å²	114	109.6 Å²	109.6	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-43.3	174.3	-178	-101.6	0	0	0	112.2	G359 L360 I366 R367	G359-F363 VanDerWaalsContact O-CB 3.3Å; G359-F363 WeakPolarHBondContact O-CB 3.42Å; G359-F363 PolarHBondContact O-N 2.81Å; L360-F363 PolarHBondContact O-N 3.47Å; F363-I366 PolarHBondContact O-N 2.97Å; F363-R367 WeakPolarHBondContact O-CB 3.49Å; F363-R367 PolarHBondContact O-N 2.8Å
364	K	52.2	Low	51.2	Low	133 Å²	133	109.3 Å²	109.3	58%	0.578	53%	0.533	S	S	*	.	H	α-helix	trans	-65.6	-38.1	176.4	-169	175.1	-179.3	180	0	111.6	L360 F361 L362 R367 L368	L360-K364 VanDerWaalsContact O-CB 3.27Å; L360-K364 WeakPolarHBondContact O-CB 3.17Å; L360-K364 PolarHBondContact O-N 3.28Å; F361-K364 PolarHBondContact O-N 2.81Å; L362-K364 PolarHBondContact O-N 2.89Å; K364-R367 CarbonylContact O-C 3.51Å; K364-R367 PolarHBondContact O-N 2.64Å; K364-L368 HydrophobicContact CG-CD1 4.02Å; K364-L368 HydrophobicContact CG-CG 4.36Å; K364-L368 WeakPolarHBondContact O-CB 3.32Å; K364-L368 WeakPolarHBondContact O-CG 3.28Å; K364-L368 PolarHBondContact O-N 3.15Å
365	R	53.3	Low	50.5	Low	173 Å²	173	112 Å²	112	65%	0.653	54%	0.54	S	S	*	.	H	α-helix	trans	-64.6	-43	175.1	-163.3	-178.5	-175.9	-177.9	2	111.7	F361 L362 R367 L368 N369	F361-R365 WeakPolarHBondContact O-CB 3.46Å; F361-R365 PolarHBondContact O-N 3.23Å; L362-R365 PolarHBondContact O-N 2.89Å; R365-R367 VanDerWaalsContact C-N 3.27Å; R365-R367 PolarHBondContact O-N 3.28Å; R365-L368 PolarHBondContact O-N 2.84Å; R365-N369 PolarHBondContact O-N 2.83Å; R365-N369 VanDerWaalsContact O-N 3.1Å
366	I	53.3	Low	49.8	Very low	113 Å²	113	112.8 Å²	112.8	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-61.7	-37.2	172.8	-67	165.6	0	0	0	110.8	L362 F363	L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.29Å; L362-I366 PolarHBondContact O-N 3.27Å; F363-I366 PolarHBondContact O-N 2.97Å
367	R	44.2	Very low	48.9	Very low	181 Å²	181	119.2 Å²	119.2	68%	0.683	57%	0.568	S	S	*	*	H	α-helix	trans	-73.2	-38.3	177.5	-162.5	-179.6	179.9	-179	-0.5	113.2	F363 K364 R365 N369 K370	F363-R367 WeakPolarHBondContact O-CB 3.49Å; F363-R367 PolarHBondContact O-N 2.8Å; K364-R367 CarbonylContact O-C 3.51Å; K364-R367 PolarHBondContact O-N 2.64Å; R365-R367 VanDerWaalsContact C-N 3.27Å; R365-R367 PolarHBondContact O-N 3.28Å; R367-N369 VanDerWaalsContact C-N 3.34Å; R367-K370 WeakPolarHBondContact O-CB 3.44Å; R367-K370 PolarHBondContact O-N 2.91Å
368	L	45	Very low	47.8	Very low	110 Å²	110	119 Å²	119	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-71.7	-27.1	179	-77.9	168.5	0	0	0	112.7	K364 R365 K370 P371	K364-L368 HydrophobicContact CG-CD1 4.02Å; K364-L368 HydrophobicContact CG-CG 4.36Å; K364-L368 WeakPolarHBondContact O-CB 3.32Å; K364-L368 WeakPolarHBondContact O-CG 3.28Å; K364-L368 PolarHBondContact O-N 3.15Å; R365-L368 PolarHBondContact O-N 2.84Å; L368-K370 PolarHBondContact O-N 3.41Å; L368-P371 WeakPolarHBondContact O-CD 3.3Å
369	N	44.1	Very low	46.6	Very low	116 Å²	116	119.7 Å²	119.7	62%	0.62	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-3.2	170.7	-92.9	5.9	0	0	0	113.7	R365 R367	R365-N369 PolarHBondContact O-N 2.83Å; R365-N369 VanDerWaalsContact O-N 3.1Å; R367-N369 VanDerWaalsContact C-N 3.34Å
370	K	48.6	Very low	45.3	Very low	167 Å²	167	126.2 Å²	126.2	73%	0.726	61%	0.605	S	S	*	*	S	Bend	trans	-86.8	-19.4	-178	-77.7	-170.3	173	-172.4	0	117.5	R367 L368	R367-K370 WeakPolarHBondContact O-CB 3.44Å; R367-K370 PolarHBondContact O-N 2.91Å; L368-K370 PolarHBondContact O-N 3.41Å
371	P	45.5	Very low	43.7	Very low	61 Å²	61	127.9 Å²	127.9	40%	0.396	61%	0.613	S	S	.	*	S	Bend	trans	-115.4	9.6	176.8	26.1	-6.6	0	0	0	117.4	L368 S374 Q375	L368-P371 WeakPolarHBondContact O-CD 3.3Å; P371-S374 WeakPolarHBondContact CA-OG 3.3Å; P371-S374 PolarHBondContact O-OG 2.96Å; P371-Q375 PolarHBondContact O-N 2.93Å
372	I	39.4	Very low	42.4	Very low	102 Å²	102	126.1 Å²	126.1	52%	0.523	62%	0.616	S	S	.	*	H	α-helix	trans	-69.1	-39.7	167.1	-69.1	171.7	0	0	0	110.1	S374 Q375 L376	I372-S374 VanDerWaalsContact C-N 3.34Å; I372-S374 PolarHBondContact O-N 3.41Å; I372-Q375 PolarHBondContact O-N 3.02Å; I372-L376 HydrophobicContact CG2-CD1 3.78Å; I372-L376 WeakPolarHBondContact O-CB 3.37Å; I372-L376 PolarHBondContact O-N 3.13Å; I372-L376 VanDerWaalsContact O-N 3.07Å
373	N	36.6	Very low	40.8	Very low	111 Å²	111	131.2 Å²	131.2	59%	0.594	64%	0.635	S	S	*	*	H	α-helix	trans	-75	-17	-179.9	-75.1	-11.6	0	0	0	114.7
374	S	42.6	Very low	39.5	Very low	62 Å²	62	133.3 Å²	133.3	43%	0.434	65%	0.649	S	S	.	*	H	α-helix	trans	-85.9	-36.3	171.7	55.9	0	0	0	0	112.2	P371 I372 R377	P371-S374 WeakPolarHBondContact CA-OG 3.3Å; P371-S374 PolarHBondContact O-OG 2.96Å; I372-S374 VanDerWaalsContact C-N 3.34Å; I372-S374 PolarHBondContact O-N 3.41Å; S374-R377 PolarHBondContact O-N 2.6Å
375	Q	35.8	Very low	38.3	Very low	142 Å²	142	135.4 Å²	135.4	66%	0.664	66%	0.659	S	S	*	*	H	α-helix	trans	-72	-34.1	176.9	-74.8	-176	-26.7	0	0	112.3	P371 I372 R377 N378 L379	P371-Q375 PolarHBondContact O-N 2.93Å; I372-Q375 PolarHBondContact O-N 3.02Å; Q375-R377 PolarHBondContact O-N 3.22Å; Q375-N378 PolarHBondContact O-N 3.23Å; Q375-N378 VanDerWaalsContact O-N 3.14Å; Q375-L379 PolarHBondContact O-N 3.45Å
376	L	37.8	Very low	37.2	Very low	100 Å²	100	136.1 Å²	136.1	52%	0.524	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-25.9	172	-84.3	159.3	0	0	0	113.4	I372 L379	I372-L376 HydrophobicContact CG2-CD1 3.78Å; I372-L376 WeakPolarHBondContact O-CB 3.37Å; I372-L376 PolarHBondContact O-N 3.13Å; I372-L376 VanDerWaalsContact O-N 3.07Å; L376-L379 HydrophobicContact CD2-CD1 4.3Å
377	R	37.1	Very low	36.1	Very low	212 Å²	212	135.6 Å²	135.6	80%	0.8	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-18.3	177.4	-107.8	-173.6	-85.7	-160.5	-6	114.3	S374 Q375	S374-R377 PolarHBondContact O-N 2.6Å; Q375-R377 PolarHBondContact O-N 3.22Å
378	N	35.6	Very low	35.5	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-0.8	179.7	-74.5	-4.3	0	0	0	113.4	Q375 N380	Q375-N378 PolarHBondContact O-N 3.23Å; Q375-N378 VanDerWaalsContact O-N 3.14Å; N378-N380 PolarHBondContact O-N 2.93Å
379	L	32.6	Very low	34.8	Very low	110 Å²	110	135.7 Å²	135.7	58%	0.576	68%	0.684	S	S	*	*	S	Bend	trans	-69.5	107.1	166	-75.6	166.1	0	0	0	107.2	Q375 L376 I381	Q375-L379 PolarHBondContact O-N 3.45Å; L376-L379 HydrophobicContact CD2-CD1 4.3Å; L379-I381 HydrophobicContact CB-CD1 4.5Å; L379-I381 HydrophobicContact CB-CG1 4.21Å; L379-I381 PolarHBondContact O-N 2.97Å
380	N	30.1	Very low	34.1	Very low	167 Å²	167	134.2 Å²	134.2	89%	0.893	68%	0.683	S	S	*	*			trans	-60.9	72.8	168.5	-83.1	-25.1	0	0	0	109.5	N378	N378-N380 PolarHBondContact O-N 2.93Å
381	I	31.2	Very low	33.3	Very low	132 Å²	132	133 Å²	133	68%	0.677	68%	0.684	S	S	*	*			trans	-78.5	123.3	167.1	-59.7	174.2	0	0	0	105.5	L379 K383	L379-I381 HydrophobicContact CB-CD1 4.5Å; L379-I381 HydrophobicContact CB-CG1 4.21Å; L379-I381 PolarHBondContact O-N 2.97Å; I381-K383 PolarHBondContact O-N 3.2Å
382	P	28.9	Very low	32.6	Very low	111 Å²	111	138.3 Å²	138.3	72%	0.721	70%	0.704	S	S	*	*			trans	-54.8	125.8	-174.9	-21.4	30.3	0	0	0	110.3	I384	P382-I384 PolarHBondContact O-N 3.45Å
383	K	27.9	Very low	32.1	Very low	201 Å²	201	139.3 Å²	139.3	87%	0.874	71%	0.714	S	S	*	*			trans	-54.8	103	172.7	-73.8	178.8	177	178.8	0	108.5	I381 K385	I381-K383 PolarHBondContact O-N 3.2Å; K383-K385 PolarHBondContact O-N 3.48Å
384	I	28.5	Very low	31.6	Very low	157 Å²	157	143.3 Å²	143.3	81%	0.805	73%	0.726	S	S	*	*			trans	-59.8	109.3	164.7	-63.8	172.4	0	0	0	105	P382 E386	P382-I384 PolarHBondContact O-N 3.45Å; I384-E386 PolarHBondContact O-N 2.98Å
385	K	27.2	Very low	30.7	Very low	178 Å²	178	148.9 Å²	148.9	77%	0.774	75%	0.745	S	S	*	*			trans	-57	111.2	174.4	-81.7	176.9	170.7	177.8	0	107.7	K383 T387	K383-K385 PolarHBondContact O-N 3.48Å; K385-T387 PolarHBondContact O-N 3.41Å
386	E	29.9	Very low	30.1	Very low	187 Å²	187	146.9 Å²	146.9	87%	0.874	75%	0.747	S	S	*	*			trans	-66.9	32.5	172.3	-76.7	177.2	145.8	0	0	113.2	I384 L388	I384-E386 PolarHBondContact O-N 2.98Å; E386-L388 PolarHBondContact O-N 2.87Å
387	T	30.7	Very low	29.6	Very low	102 Å²	102	147.4 Å²	147.4	63%	0.626	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	25.5	-178.1	45.8	0	0	0	0	114.1	K385	K385-T387 PolarHBondContact O-N 3.41Å
388	L	31.5	Very low	28.9	Very low	153 Å²	153	144 Å²	144	80%	0.801	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	9	178.2	-89.8	165.9	0	0	0	116.3	E386	E386-L388 PolarHBondContact O-N 2.87Å
389	I	28.6	Very low	28.3	Very low	141 Å²	141	144.7 Å²	144.7	72%	0.723	76%	0.762	S	S	*	*	S	Bend	trans	-120.2	-15.7	178.5	-56.7	-179.2	0	0	0	113.4
390	S	31.1	Very low	28	Very low	85 Å²	85	144.1 Å²	144.1	59%	0.594	77%	0.765	S	S	*	*	S	Bend	trans	-78.8	-18.6	177	55.5	0	0	0	0	115.1
391	D	31.8	Very low	27.6	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	76%	0.764	S	S	*	*	S	Bend	trans	-99.1	-7.1	-174.1	-72.9	-6.2	0	0	0	114.6
392	Q	29.2	Very low	27.3	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	77%	0.77	S	S	*	*	S	Bend	trans	-108.5	1.8	-179.4	-69.5	-134.4	-28.5	0	0	115.7
393	V	29.5	Very low	27	Very low	123 Å²	123	148 Å²	148	75%	0.745	77%	0.771	S	S	*	*	S	Bend	trans	-98.9	0.4	176.3	-173.5	0	0	0	0	112.9
394	K	26.9	Very low	27	Very low	195 Å²	195	147 Å²	147	85%	0.848	77%	0.766	S	S	*	*	S	Bend	trans	-96.3	12.9	176.2	-80.6	-171.1	178.5	178.9	0	115.9
395	Q	23.7	Very low	26.8	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	77%	0.766	S	S	*	*			trans	-113.1	89	169.2	-72.1	-175	-1.2	0	0	110.2	P397	Q395-P397 WeakPolarHBondContact O-CD 3.07Å
396	S	22.7	Very low	26.9	Very low	100 Å²	100	147.4 Å²	147.4	70%	0.699	77%	0.769	S	S	*	*			trans	-55.9	120.1	162.9	45.3	0	0	0	0	110	V398	S396-V398 PolarHBondContact O-N 2.75Å
397	P	26.5	Very low	26.8	Very low	111 Å²	111	145.6 Å²	145.6	72%	0.721	77%	0.766	S	S	*	*			trans	-72	114.1	173.9	26.9	-29.3	0	0	0	109.1	Q395 L399	Q395-P397 WeakPolarHBondContact O-CD 3.07Å; P397-L399 PolarHBondContact O-N 3.49Å
398	V	23.5	Very low	26.8	Very low	141 Å²	141	147.5 Å²	147.5	86%	0.855	77%	0.772	S	S	*	*			trans	-66	95	166.6	177.7	0	0	0	0	107.4	S396	S396-V398 PolarHBondContact O-N 2.75Å
399	L	23.4	Very low	26.7	Very low	152 Å²	152	147.3 Å²	147.3	80%	0.796	77%	0.77	S	S	*	*			trans	-85.8	126.9	168.8	-110.1	127.5	0	0	0	109.3	P397	P397-L399 PolarHBondContact O-N 3.49Å
400	P	24.6	Very low	26.6	Very low	98 Å²	98	146 Å²	146	64%	0.636	77%	0.771	S	S	*	*			trans	-66.9	140.2	-170.2	-17	29.8	0	0	0	113	F402	P400-F402 PolarHBondContact O-N 3.28Å
401	K	22.3	Very low	26.5	Very low	200 Å²	200	150.6 Å²	150.6	87%	0.87	79%	0.788	S	S	*	*			trans	-55.4	95.9	170.8	-69.1	175.8	176.4	177.4	0	111.1	S403	K401-S403 PolarHBondContact O-N 2.89Å; K401-S403 VanDerWaalsContact O-N 3.16Å
402	F	25	Very low	26.2	Very low	185 Å²	185	152.6 Å²	152.6	81%	0.811	79%	0.793	S	S	*	*			trans	-83.4	71.4	159.1	-98.4	-86.7	0	0	0	109.4	P400 K404	P400-F402 PolarHBondContact O-N 3.28Å; F402-K404 PolarHBondContact O-N 3.46Å
403	S	23.5	Very low	26.1	Very low	106 Å²	106	150 Å²	150	74%	0.741	79%	0.794	S	S	*	*			trans	-86.4	81.8	159.6	65.4	0	0	0	0	108.2	K401	K401-S403 PolarHBondContact O-N 2.89Å; K401-S403 VanDerWaalsContact O-N 3.16Å
404	K	26.3	Very low	25.9	Very low	179 Å²	179	156 Å²	156	78%	0.778	80%	0.803	S	S	*	*			trans	-108.7	115.3	159.9	-90.5	-173.8	176	-178.7	0	108.3	F402 L406	F402-K404 PolarHBondContact O-N 3.46Å; K404-L406 PolarHBondContact O-N 3.39Å
405	K	25.5	Very low	25.8	Very low	184 Å²	184	156.1 Å²	156.1	80%	0.8	80%	0.804	S	S	*	*			trans	-41.9	120.1	177	-74.5	169.4	169.8	177.4	0	110.7	N407	K405-N407 PolarHBondContact O-N 2.86Å
406	L	27.9	Very low	25.8	Very low	160 Å²	160	157 Å²	157	84%	0.838	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	27.1	175.4	-144.6	90	0	0	0	112.7	K404	K404-L406 PolarHBondContact O-N 3.39Å
407	N	29.6	Very low	25.8	Very low	149 Å²	149	159.4 Å²	159.4	80%	0.797	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	2.4	-177.2	-81.4	8.1	0	0	0	114.3	K405	K405-N407 PolarHBondContact O-N 2.86Å
408	D	29.9	Very low	25.6	Very low	143 Å²	143	162.3 Å²	162.3	77%	0.765	80%	0.801	S	S	*	*			trans	-120.7	37.7	-176.8	-67.1	-36.2	0	0	0	113.9
409	I	29.1	Very low	25.5	Very low	148 Å²	148	161 Å²	161	76%	0.759	80%	0.797	S	S	*	*	S	Bend	trans	-118.7	118.7	168.1	-54.9	179.1	0	0	0	109.5
410	P	26.8	Very low	25.3	Very low	113 Å²	113	161.1 Å²	161.1	73%	0.734	80%	0.797	S	S	*	*			trans	-65.7	139.3	-168	-19	30.2	0	0	0	114.6	Q412	P410-Q412 PolarHBondContact O-N 3.07Å
411	L	29	Very low	25.4	Very low	183 Å²	183	165.3 Å²	165.3	96%	0.958	81%	0.808	S	S	*	*	S	Bend	trans	-67.8	61.6	173	-85.1	155.3	0	0	0	112.9
412	Q	24.9	Very low	25.4	Very low	182 Å²	182	164.5 Å²	164.5	85%	0.85	80%	0.804	S	S	*	*			trans	-147.2	84.7	171.9	-82.6	-172.9	-5	0	0	112.5	P410	P410-Q412 PolarHBondContact O-N 3.07Å
413	S	27.2	Very low	25.3	Very low	120 Å²	120	162.6 Å²	162.6	84%	0.839	80%	0.803	S	S	*	*			trans	-174.3	46.8	146.3	51.1	0	0	0	0	112.3
414	R	26.4	Very low	25.5	Very low	247 Å²	247	165.5 Å²	165.5	93%	0.932	81%	0.81	S	S	*	*			trans	-100	67.3	155.4	-79.2	-173.7	176.7	176.4	0.1	108.7	R416	R414-R416 VanDerWaalsContact C-N 3.3Å; R414-R416 PolarHBondContact O-N 3.35Å
415	K	24.2	Very low	25.3	Very low	199 Å²	199	163.9 Å²	163.9	87%	0.865	81%	0.81	S	S	*	*			trans	-70.2	96.5	161.9	-92.4	-176.9	175.1	178.7	0	106.9	I417	K415-I417 PolarHBondContact O-N 3.42Å; K415-I417 VanDerWaalsContact O-N 3.14Å
416	R	23.3	Very low	25.2	Very low	197 Å²	197	164.9 Å²	164.9	74%	0.743	81%	0.81	S	S	*	*			trans	-53.3	110.2	161.2	-94.1	177.6	-97.3	179.8	-7.4	107.4	R414 Y418	R414-R416 VanDerWaalsContact C-N 3.3Å; R414-R416 PolarHBondContact O-N 3.35Å; R416-Y418 VanDerWaalsContact C-N 3.29Å; R416-Y418 HydrophobicContact CB-CD2 4.13Å; R416-Y418 HydrophobicContact CB-CE2 4.17Å; R416-Y418 HydrophobicContact CG-CE2 4.5Å; R416-Y418 PolarHBondContact O-N 3.16Å; R416-Y418 VanDerWaalsContact O-N 3.1Å
417	I	22.1	Very low	24.9	Very low	151 Å²	151	162.7 Å²	162.7	77%	0.774	80%	0.798	S	S	*	*			trans	-76.9	91.6	165.5	-58.7	176.3	0	0	0	105.3	K415 C419	K415-I417 PolarHBondContact O-N 3.42Å; K415-I417 VanDerWaalsContact O-N 3.14Å; I417-C419 PolarHBondContact O-N 3.36Å
418	Y	22.2	Very low	24.5	Very low	172 Å²	172	161.8 Å²	161.8	68%	0.675	79%	0.793	S	S	*	*			trans	-76.1	109.6	153.9	-79.6	-82.9	0	0	0	106	R416 L420	R416-Y418 VanDerWaalsContact C-N 3.29Å; R416-Y418 HydrophobicContact CB-CD2 4.13Å; R416-Y418 HydrophobicContact CB-CE2 4.17Å; R416-Y418 HydrophobicContact CG-CE2 4.5Å; R416-Y418 PolarHBondContact O-N 3.16Å; R416-Y418 VanDerWaalsContact O-N 3.1Å; Y418-L420 PolarHBondContact O-N 2.99Å
419	C	22.8	Very low	24.2	Very low	114 Å²	114	165.1 Å²	165.1	77%	0.77	80%	0.795	S	S	*	*			trans	-70.8	87.7	158.7	-70.8	0	0	0	0	107.3	I417 H421	I417-C419 PolarHBondContact O-N 3.36Å; C419-H421 PolarHBondContact O-N 3.41Å
420	L	19.2	Very low	23.9	Very low	153 Å²	153	164.5 Å²	164.5	80%	0.801	79%	0.793	S	S	*	*			trans	-69.3	111.6	150.7	-87.9	139.2	0	0	0	106.3	Y418	Y418-L420 PolarHBondContact O-N 2.99Å
421	H	26.4	Very low	23.8	Very low	187 Å²	187	165.2 Å²	165.2	87%	0.866	79%	0.791	S	S	*	*			trans	-103.1	120.7	151.5	-99	40.5	0	0	0	107.5	C419	C419-H421 PolarHBondContact O-N 3.41Å
422	K	22.8	Very low	23.6	Very low	183 Å²	183	162.4 Å²	162.4	80%	0.796	79%	0.787	S	S	*	*			trans	-45.4	134.7	175.9	-77.2	167	159.9	-178.5	0	112.6
423	D	21.5	Very low	23.6	Very low	145 Å²	145	158.4 Å²	158.4	78%	0.775	78%	0.779	S	S	*	*				16.5	101.5	113.3	-51.5	-32.4	0	0	0	114.9
424	D	28.1	Very low	23.6	Very low	166 Å²	166	157.9 Å²	157.9	89%	0.888	78%	0.775	S	S	*	*			trans	-117.5	108.5	142.8	-82.7	-36.8	0	0	0	106.8
425	D	21.9	Very low	23.6	Very low	146 Å²	146	152.7 Å²	152.7	78%	0.781	77%	0.77	S	S	*	*			trans	-53.4	135.7	164.7	-68.5	-52	0	0	0	110.3
426	Y	23.6	Very low	23.7	Very low	205 Å²	205	147.4 Å²	147.4	80%	0.804	76%	0.759	S	S	*	*				-178.8	118.5	119.9	-117	-121.8	0	0	0	113.5
427	I	22.2	Very low	23.8	Very low	113 Å²	113	143.5 Å²	143.5	58%	0.579	76%	0.756	S	S	*	*			trans	64.8	95.1	139.6	-57	-172.2	0	0	0	118.5	R429	I427-R429 HydrophobicContact CG2-CG 4.29Å; I427-R429 PolarHBondContact O-N 3.48Å
428	D	21	Very low	24.1	Very low	131 Å²	131	146.2 Å²	146.2	70%	0.701	76%	0.763	S	S	*	*			trans	-19.5	104.2	131.5	-161.2	5.7	0	0	0	114.3
429	R	23.5	Very low	24.3	Very low	212 Å²	212	141.5 Å²	141.5	80%	0.8	76%	0.755	S	S	*	*			trans	-116.8	92.2	154.3	-73.1	-165.1	-164.3	-178.1	5.6	108.5	I427 D431	I427-R429 HydrophobicContact CG2-CG 4.29Å; I427-R429 PolarHBondContact O-N 3.48Å; R429-D431 VanDerWaalsContact C-N 3.27Å; R429-D431 PolarHBondContact O-N 3.34Å
430	N	22.7	Very low	24.5	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	76%	0.76	S	S	*	*			trans	-49.3	96.7	143.5	-76.3	-47.5	0	0	0	109.3
431	D	25.2	Very low	24.7	Very low	128 Å²	128	143 Å²	143	68%	0.684	76%	0.761	S	S	*	*			trans	-124.3	90.3	147.3	-91.9	-34.8	0	0	0	107.4	R429 S433	R429-D431 VanDerWaalsContact C-N 3.27Å; R429-D431 PolarHBondContact O-N 3.34Å; D431-S433 PolarHBondContact O-N 2.66Å
432	S	23.9	Very low	24.7	Very low	124 Å²	124	140.3 Å²	140.3	87%	0.867	76%	0.763	S	S	*	*			trans	-54.5	84.1	154.3	50.5	0	0	0	0	109.2
433	S	26.1	Very low	24.8	Very low	98 Å²	98	141.2 Å²	141.2	69%	0.685	77%	0.767	S	S	*	*			trans	-109.3	108.4	155.5	56	0	0	0	0	106.7	D431 V435	D431-S433 PolarHBondContact O-N 2.66Å; S433-V435 PolarHBondContact O-N 2.95Å
434	S	26.8	Very low	25.2	Very low	108 Å²	108	142 Å²	142	76%	0.755	77%	0.771	S	S	*	*			trans	-31.7	119.1	171.4	47.4	0	0	0	0	111.8	S436	S434-S436 PolarHBondContact O-N 3.5Å
435	V	26.2	Very low	25.2	Very low	139 Å²	139	138.9 Å²	138.9	84%	0.842	76%	0.762	S	S	*	*			trans	-56.9	95.5	159.1	176	0	0	0	0	105.9	S433 T437	S433-V435 PolarHBondContact O-N 2.95Å; V435-T437 PolarHBondContact O-N 3.34Å
436	S	25.4	Very low	25.7	Very low	88 Å²	88	139.2 Å²	139.2	62%	0.615	76%	0.764	S	S	*	*			trans	-66.6	103.4	171.3	43.3	0	0	0	0	106.7	S434 F438	S434-S436 PolarHBondContact O-N 3.5Å; S436-F438 PolarHBondContact O-N 3.11Å
437	T	27.1	Very low	26	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	77%	0.767	S	S	*	*			trans	-45.6	109.1	160.4	-31.1	0	0	0	0	107	V435 S439	V435-T437 PolarHBondContact O-N 3.34Å; T437-S439 WeakPolarHBondContact CG2-OG 3.03Å; T437-S439 PolarHBondContact O-N 3.44Å
438	F	27.9	Very low	26.4	Very low	209 Å²	209	144.4 Å²	144.4	92%	0.917	78%	0.782	S	S	*	*	S	Bend	trans	-71.7	66.4	175	-120.4	-88.9	0	0	0	108.5	S436	S436-F438 PolarHBondContact O-N 3.11Å
439	S	26.3	Very low	27.2	Very low	73 Å²	73	143.7 Å²	143.7	51%	0.51	79%	0.785	S	S	.	*			trans	-152.2	72.4	175.7	64.2	0	0	0	0	107.3	T437	T437-S439 WeakPolarHBondContact CG2-OG 3.03Å; T437-S439 PolarHBondContact O-N 3.44Å
440	N	25.7	Very low	28	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	78%	0.784	S	S	*	*	S	Bend	trans	164.8	70.9	149.9	-83	-21.8	0	0	0	111.5
441	T	24.5	Very low	29.3	Very low	136 Å²	136	138.7 Å²	138.7	83%	0.834	78%	0.783	S	S	*	*			trans	-158.8	70.7	154.5	14	0	0	0	0	109.6
442	C	25.9	Very low	30.7	Very low	132 Å²	132	139.6 Å²	139.6	89%	0.892	79%	0.793	S	S	*	*			trans	-144.1	58.8	159	-91.5	0	0	0	0	108.9
443	K	26.3	Very low	32.7	Very low	202 Å²	202	136.5 Å²	136.5	88%	0.878	77%	0.766	S	S	*	*			trans	-139.4	70.3	157.6	-76.8	-169.2	-179.9	178.2	0	107.8
444	N	27.9	Very low	35.5	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	75%	0.754	S	S	*	*			trans	-138.9	95.3	150.5	-99.3	-10.1	0	0	0	106.8
445	S	28.6	Very low	38.5	Very low	100 Å²	100	132 Å²	132	70%	0.699	73%	0.725	S	S	*	*			trans	-57.2	133.7	160.3	43.5	0	0	0	0	109.8
446	N	33.2	Very low	41.5	Very low	154 Å²	154	129.8 Å²	129.8	82%	0.824	71%	0.709	S	S	*	*			trans	114.2	30.4	159.4	-57.3	-14.7	0	0	0	119.5
447	E	29.9	Very low	44.7	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.874	70%	0.702	S	S	*	*			trans	-129.2	108	151.4	-72.7	-176	175.1	0	0	109.3	P449	E447-P449 WeakPolarHBondContact O-CD 3.36Å
448	R	30.2	Very low	47.8	Very low	239 Å²	239	124.8 Å²	124.8	90%	0.902	67%	0.669	S	S	*	*			trans	-80.1	113.3	163.9	-74.9	179.8	176.7	177.5	-1.1	106.2	S450	R448-S450 PolarHBondContact O-N 3.29Å
449	P	37.5	Very low	50.8	Low	117 Å²	117	116.1 Å²	116.1	76%	0.76	63%	0.634	S	S	*	*			trans	-70.9	104.1	167.1	17.1	-8.5	0	0	0	107.3	E447 N451	E447-P449 WeakPolarHBondContact O-CD 3.36Å; P449-N451 PolarHBondContact O-N 2.88Å
450	S	39.7	Very low	54	Low	110 Å²	110	116.6 Å²	116.6	77%	0.769	63%	0.628	S	S	*	*			trans	-73.1	60.6	169.6	48.4	0	0	0	0	110.9	R448	R448-S450 PolarHBondContact O-N 3.29Å
451	N	50.1	Low	57.1	Low	132 Å²	132	112 Å²	112	71%	0.706	60%	0.6	S	S	*	*			trans	-110.8	82.9	165.1	-76.7	-5.5	0	0	0	107.6	P449 L453	P449-N451 PolarHBondContact O-N 2.88Å; N451-L453 VanDerWaalsContact C-N 3.26Å; N451-L453 PolarHBondContact O-N 3.27Å
452	V	54.9	Low	60.4	Low	147 Å²	147	107.4 Å²	107.4	89%	0.891	57%	0.57	S	S	*	*			trans	-65.3	97	161.5	179.5	0	0	0	0	105.4	D454	V452-D454 PolarHBondContact O-N 3.45Å
453	L	65.3	Low	63.6	Low	59 Å²	59	108.1 Å²	108.1	31%	0.309	56%	0.558	S	S	.	*			trans	-61.7	125.1	173.7	-100.8	118.3	0	0	0	108.6	N451 L455 L458 E474	N451-L453 VanDerWaalsContact C-N 3.26Å; N451-L453 PolarHBondContact O-N 3.27Å; L453-L455 PolarHBondContact O-N 2.99Å; L453-L458 HydrophobicContact CD2-CD1 3.76Å; L453-L458 HydrophobicContact CD2-CD2 4.27Å; L453-L458 HydrophobicContact CD2-CG 4.4Å; L453-E474 HydrophobicContact CD2-CG 3.51Å
454	D	86.5	Confident	66.8	Low	80 Å²	80	104.3 Å²	104.3	43%	0.428	54%	0.543	S	S	.	.			trans	-71.9	96.1	177	-178.9	-1.1	0	0	0	109.6	V452 D456 M457 L458	V452-D454 PolarHBondContact O-N 3.45Å; D454-D456 PolarHBondContact O-N 3.44Å; D454-D456 WeakPolarHBondContact OD1-CB 3.33Å; D454-D456 PolarHBondContact OD1-N 2.8Å; D454-M457 HydrophobicContact CB-CB 3.94Å; D454-M457 HydrophobicContact CB-CE 3.89Å; D454-M457 WeakPolarHBondContact O-CB 3.5Å; D454-M457 PolarHBondContact O-N 2.54Å; D454-M457 PolarHBondContact OD1-N 3.27Å; D454-L458 WeakPolarHBondContact O-CG 3.45Å; D454-L458 PolarHBondContact O-N 3.33Å; D454-L458 VanDerWaalsContact O-N 3.16Å
455	L	88.3	Confident	69.8	Low	31 Å²	31	97.9 Å²	97.9	16%	0.162	52%	0.515	C	S	.	.	H	α-helix	trans	-59.3	-28.6	179.1	-63.6	174	0	0	0	112.4	L453 L458 T459 Q477 L478 H481	L453-L455 PolarHBondContact O-N 2.99Å; L455-L458 HydrophobicContact CD2-CD1 4.36Å; L455-T459 WeakPolarHBondContact O-CB 3.48Å; L455-T459 PolarHBondContact O-N 3.19Å; L455-T459 PolarHBondContact O-OG1 2.82Å; L455-Q477 HydrophobicContact CD2-CB 4.28Å; L455-L478 HydrophobicContact CD2-CD2 4.16Å; L455-H481 HydrophobicContact CD1-CB 3.97Å
456	D	90.4	Very high	72.8	Confident	94 Å²	94	95.7 Å²	95.7	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-73.3	-40	179.1	-68	-33.5	0	0	0	110.3	D454 L458 T459 E460 R483	D454-D456 PolarHBondContact O-N 3.44Å; D454-D456 WeakPolarHBondContact OD1-CB 3.33Å; D454-D456 PolarHBondContact OD1-N 2.8Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 PolarHBondContact O-N 2.89Å; D456-T459 PolarHBondContact O-N 2.79Å; D456-E460 WeakPolarHBondContact O-CB 3.45Å; D456-E460 PolarHBondContact O-N 3.29Å; D456-R483 IonicContact OD1-CZ 3.48Å; D456-R483 IonicContact OD1-NH1 2.84Å; D456-R483 PolarHBondContact OD1-NH1 3.34Å; D456-R483 IonicContact OD1-NH2 3.91Å; D456-R483 PolarHBondContact OD1-NH2 2.98Å
457	M	92.2	Very high	75.6	Confident	96 Å²	96	88.4 Å²	88.4	47%	0.473	46%	0.457	S	S	.	.	H	α-helix	trans	-58.8	-44.2	171	-170.4	-139.3	-40.8	0	0	112.2	D454 E460 K461	D454-M457 HydrophobicContact CB-CB 3.94Å; D454-M457 HydrophobicContact CB-CE 3.89Å; D454-M457 WeakPolarHBondContact O-CB 3.5Å; D454-M457 PolarHBondContact O-N 2.54Å; D454-M457 PolarHBondContact OD1-N 3.27Å; M457-E460 PolarHBondContact O-N 3.37Å; M457-K461 PolarHBondContact O-N 3.47Å
458	L	92.4	Very high	78.6	Confident	1 Å²	1	83.1 Å²	83.1	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-41.4	178.1	-62.4	177.6	0	0	0	111.8	L453 D454 L455 D456 E460 K461 I462 L470 E474 L478	L453-L458 HydrophobicContact CD2-CD1 3.76Å; L453-L458 HydrophobicContact CD2-CD2 4.27Å; L453-L458 HydrophobicContact CD2-CG 4.4Å; D454-L458 WeakPolarHBondContact O-CG 3.45Å; D454-L458 PolarHBondContact O-N 3.33Å; D454-L458 VanDerWaalsContact O-N 3.16Å; L455-L458 HydrophobicContact CD2-CD1 4.36Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 PolarHBondContact O-N 2.89Å; L458-E460 VanDerWaalsContact C-N 3.27Å; L458-E460 PolarHBondContact O-N 3.18Å; L458-K461 WeakPolarHBondContact O-CB 3.38Å; L458-K461 PolarHBondContact O-N 3.43Å; L458-I462 PolarHBondContact O-N 3.22Å; L458-L470 HydrophobicContact CD2-CD2 3.73Å; L458-E474 HydrophobicContact CD1-CB 4.05Å; L458-E474 HydrophobicContact CD1-CG 4.1Å; L458-E474 HydrophobicContact CD2-CB 4.24Å; L458-E474 HydrophobicContact CD2-CG 3.95Å; L458-E474 WeakPolarHBondContact CD2-OE1 3.39Å; L458-L478 HydrophobicContact CB-CD1 4.01Å; L458-L478 HydrophobicContact CB-CD2 4.05Å; L458-L478 HydrophobicContact CB-CG 4.27Å; L458-L478 HydrophobicContact CD1-CG 4.38Å
459	T	91.9	Very high	81.6	Confident	27 Å²	27	77.2 Å²	77.2	17%	0.166	41%	0.414	C	S	.	.	H	α-helix	trans	-62.5	-37.9	175.2	-55.8	0	0	0	0	110.9	L455 D456 I462 K463	L455-T459 WeakPolarHBondContact O-CB 3.48Å; L455-T459 PolarHBondContact O-N 3.19Å; L455-T459 PolarHBondContact O-OG1 2.82Å; D456-T459 PolarHBondContact O-N 2.79Å; T459-I462 WeakPolarHBondContact O-CB 3.31Å; T459-I462 PolarHBondContact O-N 2.96Å; T459-K463 PolarHBondContact O-N 3.17Å; T459-K463 VanDerWaalsContact O-N 3.12Å
460	E	92.1	Very high	84.3	Confident	82 Å²	82	71.8 Å²	71.8	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-67.4	-39.6	177	-162.5	57.6	-149.7	0	0	112.1	D456 M457 L458 I462 K463 Q464	D456-E460 WeakPolarHBondContact O-CB 3.45Å; D456-E460 PolarHBondContact O-N 3.29Å; M457-E460 PolarHBondContact O-N 3.37Å; L458-E460 VanDerWaalsContact C-N 3.27Å; L458-E460 PolarHBondContact O-N 3.18Å; E460-I462 VanDerWaalsContact C-N 3.28Å; E460-I462 PolarHBondContact O-N 3.27Å; E460-K463 PolarHBondContact O-N 2.69Å; E460-K463 VanDerWaalsContact O-N 3.14Å; E460-K463 WeakPolarHBondContact OE2-CD 3.38Å; E460-K463 IonicContact OE2-NZ 3.97Å; E460-K463 PolarHBondContact OE2-NZ 3.01Å; E460-Q464 WeakPolarHBondContact O-CG 3.5Å; E460-Q464 PolarHBondContact O-N 3.14Å
461	K	92.1	Very high	87	Confident	65 Å²	65	68.9 Å²	68.9	28%	0.283	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-40.3	170.7	-76.1	-174.3	174.3	-174.5	0	112.3	M457 L458 Q464 G465 L466 L470	M457-K461 PolarHBondContact O-N 3.47Å; L458-K461 WeakPolarHBondContact O-CB 3.38Å; L458-K461 PolarHBondContact O-N 3.43Å; K461-Q464 PolarHBondContact O-N 3.31Å; K461-G465 PolarHBondContact O-N 3.02Å; K461-L466 HydrophobicContact CB-CB 4.32Å; K461-L466 WeakPolarHBondContact O-CA 3.42Å; K461-L466 WeakPolarHBondContact O-CB 3.45Å; K461-L466 PolarHBondContact O-N 2.95Å; K461-L470 HydrophobicContact CB-CD2 4.27Å; K461-L470 HydrophobicContact CD-CD2 3.7Å
462	I	93.5	Very high	89.1	Confident	39 Å²	39	65.8 Å²	65.8	20%	0.2	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-46.1	175.7	-66.3	-179.9	0	0	0	110.9	L458 T459 E460 Q464 G465 L470 L478 L484 V492	L458-I462 PolarHBondContact O-N 3.22Å; T459-I462 WeakPolarHBondContact O-CB 3.31Å; T459-I462 PolarHBondContact O-N 2.96Å; E460-I462 VanDerWaalsContact C-N 3.28Å; E460-I462 PolarHBondContact O-N 3.27Å; I462-Q464 PolarHBondContact O-N 3.33Å; I462-G465 WeakPolarHBondContact O-CA 3.36Å; I462-G465 PolarHBondContact O-N 3.31Å; I462-L470 HydrophobicContact CD1-CD1 4.02Å; I462-L470 HydrophobicContact CG1-CD1 3.77Å; I462-L478 HydrophobicContact CD1-CD1 3.52Å; I462-L484 HydrophobicContact CD1-CD1 4.39Å; I462-L484 HydrophobicContact CD1-CD2 4.32Å; I462-V492 HydrophobicContact CD1-CG1 3.88Å; I462-V492 HydrophobicContact CG1-CG1 3.97Å; I462-V492 HydrophobicContact CG2-CG1 4.29Å; I462-V492 HydrophobicContact CG2-CG2 3.92Å
463	K	92.5	Very high	91	Very high	148 Å²	148	63.3 Å²	63.3	64%	0.643	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-33	177.5	-68.8	176.3	-169.8	162.3	0	112.8	T459 E460 G465	T459-K463 PolarHBondContact O-N 3.17Å; T459-K463 VanDerWaalsContact O-N 3.12Å; E460-K463 PolarHBondContact O-N 2.69Å; E460-K463 VanDerWaalsContact O-N 3.14Å; E460-K463 WeakPolarHBondContact OE2-CD 3.38Å; E460-K463 IonicContact OE2-NZ 3.97Å; E460-K463 PolarHBondContact OE2-NZ 3.01Å; K463-G465 PolarHBondContact O-N 3.43Å
464	Q	92.5	Very high	92.5	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.6	173.3	-67.3	174.1	6	0	0	113.3	E460 K461 I462 L466	E460-Q464 WeakPolarHBondContact O-CG 3.5Å; E460-Q464 PolarHBondContact O-N 3.14Å; K461-Q464 PolarHBondContact O-N 3.31Å; I462-Q464 PolarHBondContact O-N 3.33Å; Q464-L466 VanDerWaalsContact C-N 3.31Å; Q464-L466 HydrophobicContact CB-CD1 4.35Å; Q464-L466 HydrophobicContact CB-CG 4.29Å
465	G	90.8	Very high	92.9	Very high	25 Å²	25	58.5 Å²	58.5	26%	0.258	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	9.4	-178.6	0	0	0	0	0	114.5	K461 I462 K463 G467 H468 R494	K461-G465 PolarHBondContact O-N 3.02Å; I462-G465 WeakPolarHBondContact O-CA 3.36Å; I462-G465 PolarHBondContact O-N 3.31Å; K463-G465 PolarHBondContact O-N 3.43Å; G465-G467 VanDerWaalsContact C-N 3.31Å; G465-H468 PolarHBondContact O-ND1 3.19Å; G465-R494 PolarHBondContact O-NH2 2.97Å
466	L	93.2	Very high	93.3	Very high	54 Å²	54	59.1 Å²	59.1	28%	0.283	30%	0.304	S	S	.	.			trans	-90.4	13.9	179.3	-58	175.8	0	0	0	112.9	K461 Q464 H468 E469	K461-L466 HydrophobicContact CB-CB 4.32Å; K461-L466 WeakPolarHBondContact O-CA 3.42Å; K461-L466 WeakPolarHBondContact O-CB 3.45Å; K461-L466 PolarHBondContact O-N 2.95Å; Q464-L466 VanDerWaalsContact C-N 3.31Å; Q464-L466 HydrophobicContact CB-CD1 4.35Å; Q464-L466 HydrophobicContact CB-CG 4.29Å; L466-H468 PolarHBondContact O-N 3.22Å; L466-H468 VanDerWaalsContact O-N 3.07Å; L466-E469 WeakPolarHBondContact O-CB 3.35Å; L466-E469 PolarHBondContact O-N 3.03Å
467	G	90.9	Very high	93.5	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.021	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58	-24.3	-178.4	0	0	0	0	0	115.2	G465 E469 L470 V492	G465-G467 VanDerWaalsContact C-N 3.31Å; G467-E469 VanDerWaalsContact C-N 3.3Å; G467-E469 PolarHBondContact O-N 3.48Å; G467-L470 WeakPolarHBondContact O-CB 3.33Å; G467-L470 PolarHBondContact O-N 3.32Å; G467-V492 CarbonylContact C-O 3.57Å; G467-V492 VanDerWaalsContact C-O 3.28Å
468	H	93.2	Very high	93.7	Very high	75 Å²	75	53.2 Å²	53.2	35%	0.347	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-72.7	-20.4	176.5	64.3	-75.1	0	0	0	113.5	G465 L466 V492 V493 R498	G465-H468 PolarHBondContact O-ND1 3.19Å; L466-H468 PolarHBondContact O-N 3.22Å; L466-H468 VanDerWaalsContact O-N 3.07Å; H468-V492 PolarHBondContact N-O 3.3Å; H468-V492 VanDerWaalsContact N-O 3.13Å; H468-V493 WeakPolarHBondContact CB-O 3.04Å; H468-R498 PolarHBondContact O-NH1 2.93Å; H468-R498 VanDerWaalsContact O-NH1 3.14Å
469	E	94	Very high	93.8	Very high	116 Å²	116	53.9 Å²	53.9	54%	0.542	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-82.3	-15.6	176.4	-57.9	-177.1	168.9	0	0	113	L466 G467	L466-E469 WeakPolarHBondContact O-CB 3.35Å; L466-E469 PolarHBondContact O-N 3.03Å; G467-E469 VanDerWaalsContact C-N 3.3Å; G467-E469 PolarHBondContact O-N 3.48Å
470	L	93.9	Very high	93.9	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	29%	0.294	C	S	.	.	S	Bend	trans	-65.4	142	176.1	-60.7	-176.5	0	0	0	109.9	L458 K461 I462 G467 E474 I475 L478 R498	L458-L470 HydrophobicContact CD2-CD2 3.73Å; K461-L470 HydrophobicContact CB-CD2 4.27Å; K461-L470 HydrophobicContact CD-CD2 3.7Å; I462-L470 HydrophobicContact CD1-CD1 4.02Å; I462-L470 HydrophobicContact CG1-CD1 3.77Å; G467-L470 WeakPolarHBondContact O-CB 3.33Å; G467-L470 PolarHBondContact O-N 3.32Å; L470-E474 WeakPolarHBondContact CA-OE2 3.22Å; L470-E474 HydrophobicContact CB-CB 4.33Å; L470-I475 HydrophobicContact CB-CD1 4.15Å; L470-I475 HydrophobicContact CB-CG1 3.79Å; L470-I475 HydrophobicContact CD1-CG1 4.31Å; L470-L478 HydrophobicContact CD1-CD1 3.97Å; L470-R498 PolarHBondContact O-NH1 3.15Å; L470-R498 PolarHBondContact O-NH2 3.27Å
471	S	95.4	Very high	94	Very high	49 Å²	49	58 Å²	58	34%	0.343	30%	0.301	S	S	.	.			trans	-71.2	160.3	171.1	62.3	0	0	0	0	111.8	T473 E474 I475	S471-T473 VanDerWaalsContact C-N 3.25Å; S471-T473 PolarHBondContact O-N 3.07Å; S471-T473 PolarHBondContact OG-OG1 3Å; S471-E474 WeakPolarHBondContact CB-OE2 3.3Å; S471-E474 PolarHBondContact N-OE2 3.42Å; S471-E474 PolarHBondContact O-N 2.72Å; S471-E474 WeakPolarHBondContact OG-CG 3.23Å; S471-E474 PolarHBondContact OG-N 3.03Å; S471-E474 PolarHBondContact OG-OE2 3.49Å; S471-I475 WeakPolarHBondContact O-CG1 3.37Å; S471-I475 PolarHBondContact O-N 3.07Å; S471-I475 VanDerWaalsContact O-N 3.08Å
472	D	95.9	Very high	94	Very high	67 Å²	67	57.8 Å²	57.8	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-36.5	-180	-69	-11.7	0	0	0	112.1	I475 L476 R498 L502	D472-I475 PolarHBondContact O-N 3.19Å; D472-L476 WeakPolarHBondContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CG 3.49Å; D472-L476 PolarHBondContact O-N 2.85Å; D472-R498 IonicContact OD1-CZ 2.81Å; D472-R498 IonicContact OD1-NE 2.76Å; D472-R498 PolarHBondContact OD1-NE 3.34Å; D472-R498 IonicContact OD1-NH2 3.26Å; D472-R498 PolarHBondContact OD1-NH2 2.88Å; D472-L502 HydrophobicContact CB-CD2 3.67Å
473	T	95	Very high	94	Very high	94 Å²	94	62.2 Å²	62.2	58%	0.577	33%	0.332	S	S	*	.	H	α-helix	trans	-65.4	-41.8	176.5	47	0	0	0	0	112.4	S471 L476 Q477	S471-T473 VanDerWaalsContact C-N 3.25Å; S471-T473 PolarHBondContact O-N 3.07Å; S471-T473 PolarHBondContact OG-OG1 3Å; T473-L476 PolarHBondContact O-N 2.83Å; T473-Q477 WeakPolarHBondContact O-CG 3.38Å; T473-Q477 PolarHBondContact O-N 2.85Å
474	E	95.6	Very high	94.2	Very high	38 Å²	38	55.6 Å²	55.6	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-43	175.2	-75.3	167.6	142.5	0	0	111.7	L453 L458 L470 S471 Q477 L478	L453-E474 HydrophobicContact CD2-CG 3.51Å; L458-E474 HydrophobicContact CD1-CB 4.05Å; L458-E474 HydrophobicContact CD1-CG 4.1Å; L458-E474 HydrophobicContact CD2-CB 4.24Å; L458-E474 HydrophobicContact CD2-CG 3.95Å; L458-E474 WeakPolarHBondContact CD2-OE1 3.39Å; L470-E474 WeakPolarHBondContact CA-OE2 3.22Å; L470-E474 HydrophobicContact CB-CB 4.33Å; S471-E474 WeakPolarHBondContact CB-OE2 3.3Å; S471-E474 PolarHBondContact N-OE2 3.42Å; S471-E474 PolarHBondContact O-N 2.72Å; S471-E474 WeakPolarHBondContact OG-CG 3.23Å; S471-E474 PolarHBondContact OG-N 3.03Å; S471-E474 PolarHBondContact OG-OE2 3.49Å; E474-Q477 PolarHBondContact O-N 2.84Å; E474-L478 WeakPolarHBondContact O-CG 3.45Å; E474-L478 PolarHBondContact O-N 3.11Å
475	I	96.1	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-45.6	178.5	-64.2	167.6	0	0	0	110.8	L470 S471 D472 Q477 L478 L479 L484 L489 V493 L502	L470-I475 HydrophobicContact CB-CD1 4.15Å; L470-I475 HydrophobicContact CB-CG1 3.79Å; L470-I475 HydrophobicContact CD1-CG1 4.31Å; S471-I475 WeakPolarHBondContact O-CG1 3.37Å; S471-I475 PolarHBondContact O-N 3.07Å; S471-I475 VanDerWaalsContact O-N 3.08Å; D472-I475 PolarHBondContact O-N 3.19Å; I475-Q477 VanDerWaalsContact C-N 3.26Å; I475-Q477 PolarHBondContact O-N 3.34Å; I475-L478 PolarHBondContact O-N 3.1Å; I475-L478 VanDerWaalsContact O-N 3.13Å; I475-L479 HydrophobicContact CG2-CD1 4.35Å; I475-L479 WeakPolarHBondContact O-CG 3.5Å; I475-L479 PolarHBondContact O-N 2.9Å; I475-L484 HydrophobicContact CG2-CD2 3.89Å; I475-L489 HydrophobicContact CG2-CD2 3.61Å; I475-V493 HydrophobicContact CD1-CG1 3.46Å; I475-V493 VanDerWaalsContact CD1-CG1 3.46Å; I475-L502 HydrophobicContact CB-CD1 4.38Å; I475-L502 HydrophobicContact CB-CD2 4.48Å; I475-L502 HydrophobicContact CD1-CD1 3.73Å; I475-L502 HydrophobicContact CG2-CD1 4Å; I475-L502 HydrophobicContact CG2-CD2 4.5Å
476	L	95.6	Very high	94.5	Very high	44 Å²	44	55.8 Å²	55.8	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-33.2	176.8	-70.7	169.8	0	0	0	112.2	D472 T473 L479 S480 L502 L505 D506	D472-L476 WeakPolarHBondContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CG 3.49Å; D472-L476 PolarHBondContact O-N 2.85Å; T473-L476 PolarHBondContact O-N 2.83Å; L476-L479 HydrophobicContact CD2-CD1 4.33Å; L476-S480 WeakPolarHBondContact O-CB 3.45Å; L476-S480 PolarHBondContact O-N 3.2Å; L476-S480 PolarHBondContact O-OG 2.8Å; L476-L502 HydrophobicContact CD2-CD2 4.46Å; L476-L502 HydrophobicContact CG-CD2 4.17Å; L476-L505 HydrophobicContact CD1-CB 4.16Å; L476-L505 HydrophobicContact CD1-CD1 4.18Å; L476-L505 HydrophobicContact CD2-CB 3.97Å; L476-D506 HydrophobicContact CD2-CB 3.99Å
477	Q	94.5	Very high	94.5	Very high	65 Å²	65	59.8 Å²	59.8	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-41.7	171.9	-76.8	178.6	-8.7	0	0	112.5	L455 T473 E474 I475 L479 S480 H481	L455-Q477 HydrophobicContact CD2-CB 4.28Å; T473-Q477 WeakPolarHBondContact O-CG 3.38Å; T473-Q477 PolarHBondContact O-N 2.85Å; E474-Q477 PolarHBondContact O-N 2.84Å; I475-Q477 VanDerWaalsContact C-N 3.26Å; I475-Q477 PolarHBondContact O-N 3.34Å; Q477-L479 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 3.46Å; Q477-S480 WeakPolarHBondContact CA-OG 3.49Å; Q477-S480 PolarHBondContact O-N 2.89Å; Q477-S480 PolarHBondContact O-OG 2.94Å; Q477-H481 PolarHBondContact O-N 3.48Å; Q477-H481 VanDerWaalsContact O-N 3.09Å; Q477-H481 PolarHBondContact O-ND1 2.87Å
478	L	95.9	Very high	94.7	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-38.3	175.5	-72.4	172.7	0	0	0	112.3	L455 L458 I462 L470 E474 I475 G482 R483 L484	L455-L478 HydrophobicContact CD2-CD2 4.16Å; L458-L478 HydrophobicContact CB-CD1 4.01Å; L458-L478 HydrophobicContact CB-CD2 4.05Å; L458-L478 HydrophobicContact CB-CG 4.27Å; L458-L478 HydrophobicContact CD1-CG 4.38Å; I462-L478 HydrophobicContact CD1-CD1 3.52Å; L470-L478 HydrophobicContact CD1-CD1 3.97Å; E474-L478 WeakPolarHBondContact O-CG 3.45Å; E474-L478 PolarHBondContact O-N 3.11Å; I475-L478 PolarHBondContact O-N 3.1Å; I475-L478 VanDerWaalsContact O-N 3.13Å; L478-G482 PolarHBondContact O-N 3.12Å; L478-R483 HydrophobicContact CD2-CB 3.83Å; L478-R483 HydrophobicContact CD2-CG 4.48Å; L478-R483 PolarHBondContact O-N 3.26Å; L478-L484 HydrophobicContact CB-CB 3.9Å; L478-L484 PolarHBondContact O-N 3.44Å
479	L	95.9	Very high	94.8	Very high	16 Å²	16	59 Å²	59	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-50	173.8	-68.8	174.6	0	0	0	111.2	I475 L476 Q477 H481 G482 L484 T486 L489 D506	I475-L479 HydrophobicContact CG2-CD1 4.35Å; I475-L479 WeakPolarHBondContact O-CG 3.5Å; I475-L479 PolarHBondContact O-N 2.9Å; L476-L479 HydrophobicContact CD2-CD1 4.33Å; Q477-L479 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 3.46Å; L479-H481 VanDerWaalsContact C-N 3.25Å; L479-H481 PolarHBondContact O-N 3.36Å; L479-G482 PolarHBondContact O-N 3.44Å; L479-L484 HydrophobicContact CD2-CB 4.05Å; L479-L484 HydrophobicContact CD2-CD2 4.08Å; L479-L484 HydrophobicContact CD2-CG 3.85Å; L479-L484 WeakPolarHBondContact CD2-O 3.29Å; L479-L484 HydrophobicContact CG-CD2 4.38Å; L479-T486 HydrophobicContact CD1-CG2 4.46Å; L479-T486 HydrophobicContact CD2-CG2 3.98Å; L479-L489 HydrophobicContact CD1-CD1 4.32Å; L479-L489 HydrophobicContact CD1-CD2 4.26Å; L479-L489 HydrophobicContact CD2-CD2 4.48Å; L479-D506 HydrophobicContact CD1-CB 3.93Å
480	S	93.5	Very high	94.9	Very high	79 Å²	79	54 Å²	54	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-63.5	-28.8	-177.7	69	0	0	0	0	113.7	L476 Q477	L476-S480 WeakPolarHBondContact O-CB 3.45Å; L476-S480 PolarHBondContact O-N 3.2Å; L476-S480 PolarHBondContact O-OG 2.8Å; Q477-S480 WeakPolarHBondContact CA-OG 3.49Å; Q477-S480 PolarHBondContact O-N 2.89Å; Q477-S480 PolarHBondContact O-OG 2.94Å
481	H	93.9	Very high	94.9	Very high	116 Å²	116	56.8 Å²	56.8	54%	0.537	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.9	174.1	-65.5	78.5	0	0	0	113.5	L455 Q477 L479 R483	L455-H481 HydrophobicContact CD1-CB 3.97Å; Q477-H481 PolarHBondContact O-N 3.48Å; Q477-H481 VanDerWaalsContact O-N 3.09Å; Q477-H481 PolarHBondContact O-ND1 2.87Å; L479-H481 VanDerWaalsContact C-N 3.25Å; L479-H481 PolarHBondContact O-N 3.36Å; H481-R483 HydrophobicContact CB-CG 4.3Å; H481-R483 PolarHBondContact O-N 3.41Å
482	G	93	Very high	94.9	Very high	60 Å²	60	55.1 Å²	55.1	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	15.8	179.1	0	0	0	0	0	114.9	L478 L479	L478-G482 PolarHBondContact O-N 3.12Å; L479-G482 PolarHBondContact O-N 3.44Å
483	R	93.7	Very high	94.9	Very high	132 Å²	132	52.1 Å²	52.1	50%	0.498	27%	0.274	S	S	.	.	S	Bend	trans	-80.3	-19.8	177.1	-64.2	-61.2	-168.8	113.2	4	112.4	D456 L478 H481	D456-R483 IonicContact OD1-CZ 3.48Å; D456-R483 IonicContact OD1-NH1 2.84Å; D456-R483 PolarHBondContact OD1-NH1 3.34Å; D456-R483 IonicContact OD1-NH2 3.91Å; D456-R483 PolarHBondContact OD1-NH2 2.98Å; L478-R483 HydrophobicContact CD2-CB 3.83Å; L478-R483 HydrophobicContact CD2-CG 4.48Å; L478-R483 PolarHBondContact O-N 3.26Å; H481-R483 HydrophobicContact CB-CG 4.3Å; H481-R483 PolarHBondContact O-N 3.41Å
484	L	95.1	Very high	94.8	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	28%	0.275	C	S	.	.	S	Bend	trans	-128.6	145.9	173.2	178.8	62.5	0	0	0	109.6	I462 I475 L478 L479 E488 L489 V492	I462-L484 HydrophobicContact CD1-CD1 4.39Å; I462-L484 HydrophobicContact CD1-CD2 4.32Å; I475-L484 HydrophobicContact CG2-CD2 3.89Å; L478-L484 HydrophobicContact CB-CB 3.9Å; L478-L484 PolarHBondContact O-N 3.44Å; L479-L484 HydrophobicContact CD2-CB 4.05Å; L479-L484 HydrophobicContact CD2-CD2 4.08Å; L479-L484 HydrophobicContact CD2-CG 3.85Å; L479-L484 WeakPolarHBondContact CD2-O 3.29Å; L479-L484 HydrophobicContact CG-CD2 4.38Å; L484-E488 HydrophobicContact CD1-CB 4.08Å; L484-L489 HydrophobicContact CD2-CD2 3.94Å; L484-V492 HydrophobicContact CD1-CG2 3.81Å
485	K	95.4	Very high	94.8	Very high	119 Å²	119	57 Å²	57	52%	0.517	29%	0.285	S	S	.	.			trans	-102.1	144.4	173.2	-62.9	178.8	-178.2	174.4	0	110.9	R487 E488	K485-R487 VanDerWaalsContact C-N 3.35Å; K485-R487 HydrophobicContact CB-CG 4.22Å; K485-R487 PolarHBondContact O-N 3.33Å; K485-E488 HydrophobicContact CB-CG 4.41Å; K485-E488 WeakPolarHBondContact O-CB 3.41Å; K485-E488 PolarHBondContact O-N 3.41Å
486	T	95.3	Very high	94.8	Very high	33 Å²	33	58.1 Å²	58.1	20%	0.202	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.4	-40.3	-179.8	47	0	0	0	0	113.6	L479 E488 L489 R503 E537	L479-T486 HydrophobicContact CD1-CG2 4.46Å; L479-T486 HydrophobicContact CD2-CG2 3.98Å; T486-E488 PolarHBondContact O-N 3.12Å; T486-E488 VanDerWaalsContact O-N 3.08Å; T486-L489 WeakPolarHBondContact O-CB 3.48Å; T486-L489 WeakPolarHBondContact O-CD1 3.42Å; T486-L489 VanDerWaalsContact O-CG 3.24Å; T486-L489 WeakPolarHBondContact O-CG 3.3Å; T486-L489 PolarHBondContact O-N 2.94Å; T486-L489 VanDerWaalsContact O-N 3.15Å; T486-R503 PolarHBondContact O-NH2 2.67Å; T486-E537 VanDerWaalsContact CB-OE2 3.31Å; T486-E537 WeakPolarHBondContact CB-OE2 3.3Å; T486-E537 VanDerWaalsContact OG1-CD 3.27Å; T486-E537 PolarHBondContact OG1-OE1 3.21Å; T486-E537 PolarHBondContact OG1-OE2 2.91Å; T486-E537 VanDerWaalsContact OG1-OE2 3.12Å
487	R	93.4	Very high	94.8	Very high	137 Å²	137	59.3 Å²	59.3	52%	0.517	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.7	-13.7	175.4	69.3	-168.4	-173.8	113.8	17.8	114.9	K485 E537	K485-R487 VanDerWaalsContact C-N 3.35Å; K485-R487 HydrophobicContact CB-CG 4.22Å; K485-R487 PolarHBondContact O-N 3.33Å; R487-E537 VanDerWaalsContact CA-OE1 3.26Å; R487-E537 WeakPolarHBondContact CA-OE1 3.35Å; R487-E537 HydrophobicContact CB-CG 4.33Å; R487-E537 WeakPolarHBondContact CB-OE1 3.43Å; R487-E537 PolarHBondContact N-OE1 3.02Å
488	E	94.4	Very high	94.9	Very high	60 Å²	60	58.2 Å²	58.2	28%	0.28	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-96.2	-9.6	-178.1	-68.4	160.1	-164.7	0	0	111.5	L484 K485 T486 E490 S491 V492	L484-E488 HydrophobicContact CD1-CB 4.08Å; K485-E488 HydrophobicContact CB-CG 4.41Å; K485-E488 WeakPolarHBondContact O-CB 3.41Å; K485-E488 PolarHBondContact O-N 3.41Å; T486-E488 PolarHBondContact O-N 3.12Å; T486-E488 VanDerWaalsContact O-N 3.08Å; E488-E490 VanDerWaalsContact C-N 3.35Å; E488-E490 PolarHBondContact O-N 3.06Å; E488-S491 WeakPolarHBondContact O-CB 3.48Å; E488-S491 PolarHBondContact O-N 3.43Å; E488-S491 PolarHBondContact O-OG 3.13Å; E488-V492 WeakPolarHBondContact O-CG2 3.27Å; E488-V492 PolarHBondContact O-N 2.93Å
489	L	96.5	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.7	-45.7	-174.6	-74.1	169.8	0	0	0	112.7	I475 L479 L484 T486 S491 V492 V493 A499 L502 R503	I475-L489 HydrophobicContact CG2-CD2 3.61Å; L479-L489 HydrophobicContact CD1-CD1 4.32Å; L479-L489 HydrophobicContact CD1-CD2 4.26Å; L479-L489 HydrophobicContact CD2-CD2 4.48Å; L484-L489 HydrophobicContact CD2-CD2 3.94Å; T486-L489 WeakPolarHBondContact O-CB 3.48Å; T486-L489 WeakPolarHBondContact O-CD1 3.42Å; T486-L489 VanDerWaalsContact O-CG 3.24Å; T486-L489 WeakPolarHBondContact O-CG 3.3Å; T486-L489 PolarHBondContact O-N 2.94Å; T486-L489 VanDerWaalsContact O-N 3.15Å; L489-S491 PolarHBondContact O-N 3.06Å; L489-V492 PolarHBondContact O-N 3.41Å; L489-V492 VanDerWaalsContact O-N 3.11Å; L489-V493 WeakPolarHBondContact O-CG2 3.43Å; L489-V493 PolarHBondContact O-N 3.03Å; L489-A499 HydrophobicContact CB-CB 3.75Å; L489-L502 HydrophobicContact CD1-CB 4.24Å; L489-L502 HydrophobicContact CD2-CB 4.47Å; L489-L502 HydrophobicContact CD2-CD1 4.39Å; L489-R503 HydrophobicContact CD1-CB 3.97Å
490	E	94.9	Very high	95.1	Very high	11 Å²	11	57.5 Å²	57.5	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-37.7	179.1	-71.1	78.7	-175.3	0	0	112	E488 R494 A499 R503 Y531	E488-E490 VanDerWaalsContact C-N 3.35Å; E488-E490 PolarHBondContact O-N 3.06Å; E490-R494 WeakPolarHBondContact O-CA 3.37Å; E490-R494 PolarHBondContact O-N 3.27Å; E490-A499 HydrophobicContact CB-CB 4.43Å; E490-A499 HydrophobicContact CG-CB 3.8Å; E490-R503 IonicContact OE1-CZ 3.44Å; E490-R503 VanDerWaalsContact OE1-CZ 3.29Å; E490-R503 IonicContact OE1-NH1 2.65Å; E490-R503 PolarHBondContact OE1-NH1 3.19Å; E490-R503 IonicContact OE1-NH2 3.66Å; E490-R503 PolarHBondContact OE1-NH2 3Å; E490-R503 IonicContact OE2-CZ 2.59Å; E490-R503 IonicContact OE2-NH2 3.66Å; E490-R503 PolarHBondContact OE2-NH2 2.73Å; E490-Y531 HydrophobicContact CB-CD2 3.5Å; E490-Y531 HydrophobicContact CB-CE1 4.32Å; E490-Y531 HydrophobicContact CB-CE2 3.26Å; E490-Y531 HydrophobicContact CB-CG 4.16Å; E490-Y531 HydrophobicContact CG-CD2 3.58Å; E490-Y531 HydrophobicContact CG-CE2 3.87Å; E490-Y531 HydrophobicContact CG-CG 4.19Å
491	S	93.6	Very high	95.2	Very high	63 Å²	63	56.4 Å²	56.4	44%	0.441	27%	0.272	S	S	.	.	H	α-helix	trans	-75.4	-34.4	178	74.1	0	0	0	0	113	E488 L489	E488-S491 WeakPolarHBondContact O-CB 3.48Å; E488-S491 PolarHBondContact O-N 3.43Å; E488-S491 PolarHBondContact O-OG 3.13Å; L489-S491 PolarHBondContact O-N 3.06Å
492	V	95.4	Very high	95.4	Very high	13 Å²	13	51 Å²	51	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-79	-52.1	-177.2	172.8	0	0	0	0	111.4	I462 G467 H468 L484 E488 L489	I462-V492 HydrophobicContact CD1-CG1 3.88Å; I462-V492 HydrophobicContact CG1-CG1 3.97Å; I462-V492 HydrophobicContact CG2-CG1 4.29Å; I462-V492 HydrophobicContact CG2-CG2 3.92Å; G467-V492 CarbonylContact C-O 3.57Å; G467-V492 VanDerWaalsContact C-O 3.28Å; H468-V492 PolarHBondContact N-O 3.3Å; H468-V492 VanDerWaalsContact N-O 3.13Å; L484-V492 HydrophobicContact CD1-CG2 3.81Å; E488-V492 WeakPolarHBondContact O-CG2 3.27Å; E488-V492 PolarHBondContact O-N 2.93Å; L489-V492 PolarHBondContact O-N 3.41Å; L489-V492 VanDerWaalsContact O-N 3.11Å
493	V	95.6	Very high	95.6	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-82.9	-14.7	-176.6	-59.3	0	0	0	0	113.5	H468 I475 L489 N495 R498 A499 L502	H468-V493 WeakPolarHBondContact CB-O 3.04Å; I475-V493 HydrophobicContact CD1-CG1 3.46Å; I475-V493 VanDerWaalsContact CD1-CG1 3.46Å; L489-V493 WeakPolarHBondContact O-CG2 3.43Å; L489-V493 PolarHBondContact O-N 3.03Å; V493-N495 WeakPolarHBondContact CG2-O 3.3Å; V493-N495 PolarHBondContact O-N 3.21Å; V493-R498 HydrophobicContact CG2-CB 4.43Å; V493-A499 HydrophobicContact CG2-CB 3.86Å; V493-L502 HydrophobicContact CG1-CD1 3.83Å
494	R	93.8	Very high	95.8	Very high	162 Å²	162	42.8 Å²	42.8	61%	0.611	20%	0.197	S	C	*	.	S	Bend	trans	53.5	21.4	-178.4	-57.5	-178.3	178.2	176.9	0.8	114.4	G465 E490	G465-R494 PolarHBondContact O-NH2 2.97Å; E490-R494 WeakPolarHBondContact O-CA 3.37Å; E490-R494 PolarHBondContact O-N 3.27Å
495	N	95.3	Very high	95.8	Very high	72 Å²	72	46.3 Å²	46.3	39%	0.385	22%	0.215	S	C	.	.			trans	-136.4	101.9	176.8	179.9	-24.4	0	0	0	107.9	V493 F497 R498 A499	V493-N495 WeakPolarHBondContact CG2-O 3.3Å; V493-N495 PolarHBondContact O-N 3.21Å; N495-F497 VanDerWaalsContact C-N 3.25Å; N495-F497 PolarHBondContact O-N 2.64Å; N495-F497 WeakPolarHBondContact OD1-CB 3.41Å; N495-F497 PolarHBondContact OD1-N 3.14Å; N495-R498 HydrophobicContact CB-CB 3.87Å; N495-R498 PolarHBondContact O-N 3.19Å; N495-R498 PolarHBondContact OD1-N 3.4Å; N495-R498 VanDerWaalsContact OD1-N 3.1Å; N495-A499 PolarHBondContact O-N 3.31Å
496	P	95.3	Very high	95.9	Very high	23 Å²	23	41.7 Å²	41.7	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-33.9	-178.2	-29.1	37.2	0	0	0	114.1	A499 V500 R528	P496-A499 PolarHBondContact O-N 2.9Å; P496-V500 WeakPolarHBondContact O-CG2 3.22Å; P496-V500 PolarHBondContact O-N 3.02Å; P496-R528 HydrophobicContact CG-CG 4.31Å
497	F	96.6	Very high	95.9	Very high	70 Å²	70	42.8 Å²	42.8	31%	0.307	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-48.2	177.3	179.7	-94.4	0	0	0	111.3	N495 A499 V500 E501 Y522 Y527	N495-F497 VanDerWaalsContact C-N 3.25Å; N495-F497 PolarHBondContact O-N 2.64Å; N495-F497 WeakPolarHBondContact OD1-CB 3.41Å; N495-F497 PolarHBondContact OD1-N 3.14Å; F497-A499 VanDerWaalsContact C-N 3.28Å; F497-A499 PolarHBondContact O-N 3.41Å; F497-V500 WeakPolarHBondContact O-CB 3.44Å; F497-V500 PolarHBondContact O-N 3.37Å; F497-V500 VanDerWaalsContact O-N 3.14Å; F497-E501 HydrophobicContact CD1-CG 4.43Å; F497-E501 HydrophobicContact CE1-CG 3.99Å; F497-E501 WeakPolarHBondContact CE1-OE1 3.5Å; F497-E501 VanDerWaalsContact CE1-OE2 3.3Å; F497-E501 WeakPolarHBondContact CE1-OE2 3.17Å; F497-E501 HydrophobicContact CZ-CG 4.28Å; F497-E501 PolarHBondContact O-N 3.36Å; F497-Y522 HydrophobicContact CE2-CD2 4.15Å; F497-Y522 HydrophobicContact CE2-CE2 4.1Å; F497-Y522 HydrophobicContact CZ-CD2 4.36Å; F497-Y522 AromaticContact CZ-CE2 3.84Å; F497-Y522 HydrophobicContact CZ-CE2 3.84Å; F497-Y527 HydrophobicContact CB-CD2 4.38Å; F497-Y527 HydrophobicContact CD2-CD2 4.07Å; F497-Y527 AromaticContact CD2-CE2 3.91Å; F497-Y527 HydrophobicContact CD2-CE2 3.91Å; F497-Y527 HydrophobicContact CE2-CE2 4.49Å
498	R	96.9	Very high	96	Very high	42 Å²	42	37.5 Å²	37.5	16%	0.158	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-38	175.3	-175.2	-178.4	176.7	-152.7	-2.4	111.9	H468 L470 D472 V493 N495 V500 E501 L502	H468-R498 PolarHBondContact O-NH1 2.93Å; H468-R498 VanDerWaalsContact O-NH1 3.14Å; L470-R498 PolarHBondContact O-NH1 3.15Å; L470-R498 PolarHBondContact O-NH2 3.27Å; D472-R498 IonicContact OD1-CZ 2.81Å; D472-R498 IonicContact OD1-NE 2.76Å; D472-R498 PolarHBondContact OD1-NE 3.34Å; D472-R498 IonicContact OD1-NH2 3.26Å; D472-R498 PolarHBondContact OD1-NH2 2.88Å; V493-R498 HydrophobicContact CG2-CB 4.43Å; N495-R498 HydrophobicContact CB-CB 3.87Å; N495-R498 PolarHBondContact O-N 3.19Å; N495-R498 PolarHBondContact OD1-N 3.4Å; N495-R498 VanDerWaalsContact OD1-N 3.1Å; R498-V500 VanDerWaalsContact C-N 3.31Å; R498-V500 PolarHBondContact O-N 3.39Å; R498-E501 PolarHBondContact O-N 3.45Å; R498-L502 HydrophobicContact CG-CD1 3.92Å; R498-L502 HydrophobicContact CG-CG 4.35Å; R498-L502 WeakPolarHBondContact O-CB 3.16Å; R498-L502 WeakPolarHBondContact O-CG 3.36Å; R498-L502 PolarHBondContact O-N 3.05Å
499	A	97.3	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-42.6	175.3	0	0	0	0	0	111.8	L489 E490 V493 N495 P496 F497 R503	L489-A499 HydrophobicContact CB-CB 3.75Å; E490-A499 HydrophobicContact CB-CB 4.43Å; E490-A499 HydrophobicContact CG-CB 3.8Å; V493-A499 HydrophobicContact CG2-CB 3.86Å; N495-A499 PolarHBondContact O-N 3.31Å; P496-A499 PolarHBondContact O-N 2.9Å; F497-A499 VanDerWaalsContact C-N 3.28Å; F497-A499 PolarHBondContact O-N 3.41Å; A499-R503 VanDerWaalsContact O-CB 3.27Å; A499-R503 WeakPolarHBondContact O-CB 3.37Å; A499-R503 PolarHBondContact O-N 3.2Å
500	V	97.4	Very high	95.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-43.7	174.6	174.2	0	0	0	0	111.2	P496 F497 R498 R503 R504 Y522 Y527 V538	P496-V500 WeakPolarHBondContact O-CG2 3.22Å; P496-V500 PolarHBondContact O-N 3.02Å; F497-V500 WeakPolarHBondContact O-CB 3.44Å; F497-V500 PolarHBondContact O-N 3.37Å; F497-V500 VanDerWaalsContact O-N 3.14Å; R498-V500 VanDerWaalsContact C-N 3.31Å; R498-V500 PolarHBondContact O-N 3.39Å; V500-R503 PolarHBondContact O-N 3.02Å; V500-R504 HydrophobicContact CG1-CG 4.39Å; V500-R504 WeakPolarHBondContact O-CB 3.35Å; V500-R504 WeakPolarHBondContact O-CD 3.5Å; V500-R504 WeakPolarHBondContact O-CG 3.26Å; V500-R504 PolarHBondContact O-N 2.88Å; V500-Y522 HydrophobicContact CG1-CD2 4.26Å; V500-Y527 HydrophobicContact CB-CE2 4.37Å; V500-Y527 HydrophobicContact CG1-CE1 4.48Å; V500-Y527 HydrophobicContact CG1-CE2 4.36Å; V500-Y527 HydrophobicContact CG2-CD1 3.82Å; V500-Y527 HydrophobicContact CG2-CD2 4.07Å; V500-Y527 HydrophobicContact CG2-CE1 3.84Å; V500-Y527 HydrophobicContact CG2-CE2 4.08Å; V500-Y527 HydrophobicContact CG2-CG 3.94Å; V500-V538 HydrophobicContact CG2-CB 3.99Å; V500-V538 HydrophobicContact CG2-CG1 4.01Å; V500-V538 WeakPolarHBondContact CG2-O 3.48Å
501	E	97.2	Very high	95.8	Very high	57 Å²	57	48.5 Å²	48.5	27%	0.266	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-48.1	177.4	-72.7	-170.2	136	0	0	112.5	F497 R498 R503 R504 L505 Y522	F497-E501 HydrophobicContact CD1-CG 4.43Å; F497-E501 HydrophobicContact CE1-CG 3.99Å; F497-E501 WeakPolarHBondContact CE1-OE1 3.5Å; F497-E501 VanDerWaalsContact CE1-OE2 3.3Å; F497-E501 WeakPolarHBondContact CE1-OE2 3.17Å; F497-E501 HydrophobicContact CZ-CG 4.28Å; F497-E501 PolarHBondContact O-N 3.36Å; R498-E501 PolarHBondContact O-N 3.45Å; E501-R503 PolarHBondContact O-N 3.41Å; E501-R504 WeakPolarHBondContact O-CB 3.39Å; E501-R504 PolarHBondContact O-N 2.85Å; E501-R504 VanDerWaalsContact O-N 3.16Å; E501-L505 WeakPolarHBondContact O-CG 3.41Å; E501-L505 PolarHBondContact O-N 3.39Å; E501-Y522 HydrophobicContact CG-CD2 4.25Å; E501-Y522 HydrophobicContact CG-CE2 3.48Å; E501-Y522 VanDerWaalsContact CG-CE2 3.48Å; E501-Y522 WeakPolarHBondContact OE1-CE2 3.06Å; E501-Y522 PolarHBondContact OE1-OH 3.45Å; E501-Y522 VanDerWaalsContact OE1-OH 3.04Å
502	L	97.8	Very high	95.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-43.5	177.6	-72.4	167.5	0	0	0	111.8	D472 I475 L476 L489 V493 R498 R504 L505 D506	D472-L502 HydrophobicContact CB-CD2 3.67Å; I475-L502 HydrophobicContact CB-CD1 4.38Å; I475-L502 HydrophobicContact CB-CD2 4.48Å; I475-L502 HydrophobicContact CD1-CD1 3.73Å; I475-L502 HydrophobicContact CG2-CD1 4Å; I475-L502 HydrophobicContact CG2-CD2 4.5Å; L476-L502 HydrophobicContact CD2-CD2 4.46Å; L476-L502 HydrophobicContact CG-CD2 4.17Å; L489-L502 HydrophobicContact CD1-CB 4.24Å; L489-L502 HydrophobicContact CD2-CB 4.47Å; L489-L502 HydrophobicContact CD2-CD1 4.39Å; V493-L502 HydrophobicContact CG1-CD1 3.83Å; R498-L502 HydrophobicContact CG-CD1 3.92Å; R498-L502 HydrophobicContact CG-CG 4.35Å; R498-L502 WeakPolarHBondContact O-CB 3.16Å; R498-L502 WeakPolarHBondContact O-CG 3.36Å; R498-L502 PolarHBondContact O-N 3.05Å; L502-R504 VanDerWaalsContact C-N 3.28Å; L502-R504 PolarHBondContact O-N 2.82Å; L502-L505 PolarHBondContact O-N 3.17Å; L502-D506 WeakPolarHBondContact O-CB 3.43Å; L502-D506 PolarHBondContact O-N 3.27Å
503	R	96.9	Very high	95.8	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-37.2	175.5	-170.9	-178.1	-68.3	113.7	3.2	112	T486 L489 E490 A499 V500 E501 L507 E537 V538 I539	T486-R503 PolarHBondContact O-NH2 2.67Å; L489-R503 HydrophobicContact CD1-CB 3.97Å; E490-R503 IonicContact OE1-CZ 3.44Å; E490-R503 VanDerWaalsContact OE1-CZ 3.29Å; E490-R503 IonicContact OE1-NH1 2.65Å; E490-R503 PolarHBondContact OE1-NH1 3.19Å; E490-R503 IonicContact OE1-NH2 3.66Å; E490-R503 PolarHBondContact OE1-NH2 3Å; E490-R503 IonicContact OE2-CZ 2.59Å; E490-R503 IonicContact OE2-NH2 3.66Å; E490-R503 PolarHBondContact OE2-NH2 2.73Å; A499-R503 VanDerWaalsContact O-CB 3.27Å; A499-R503 WeakPolarHBondContact O-CB 3.37Å; A499-R503 PolarHBondContact O-N 3.2Å; V500-R503 PolarHBondContact O-N 3.02Å; E501-R503 PolarHBondContact O-N 3.41Å; R503-L507 VanDerWaalsContact O-CB 3.25Å; R503-L507 WeakPolarHBondContact O-CB 3.38Å; R503-L507 PolarHBondContact O-N 3.18Å; R503-E537 WeakPolarHBondContact CD-OE2 3.45Å; R503-E537 IonicContact CZ-OE2 2.69Å; R503-E537 IonicContact NE-OE2 3.6Å; R503-E537 PolarHBondContact NE-OE2 3.16Å; R503-E537 IonicContact NH2-OE2 3.21Å; R503-V538 WeakPolarHBondContact CD-O 3.42Å; R503-V538 PolarHBondContact NH1-O 3.36Å; R503-I539 HydrophobicContact CG-CG2 3.94Å
504	R	97.2	Very high	95.6	Very high	13 Å²	13	59.9 Å²	59.9	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-42.9	175.4	-72.3	166.3	64.8	80.4	3.7	111.7	V500 E501 L502 L507 S508 I517 I520 Y522 I539	V500-R504 HydrophobicContact CG1-CG 4.39Å; V500-R504 WeakPolarHBondContact O-CB 3.35Å; V500-R504 WeakPolarHBondContact O-CD 3.5Å; V500-R504 WeakPolarHBondContact O-CG 3.26Å; V500-R504 PolarHBondContact O-N 2.88Å; E501-R504 WeakPolarHBondContact O-CB 3.39Å; E501-R504 PolarHBondContact O-N 2.85Å; E501-R504 VanDerWaalsContact O-N 3.16Å; L502-R504 VanDerWaalsContact C-N 3.28Å; L502-R504 PolarHBondContact O-N 2.82Å; R504-L507 PolarHBondContact O-N 2.99Å; R504-S508 WeakPolarHBondContact O-CB 3.49Å; R504-S508 PolarHBondContact O-N 2.99Å; R504-I517 HydrophobicContact CB-CD1 3.61Å; R504-I517 HydrophobicContact CB-CG1 4.41Å; R504-I517 HydrophobicContact CG-CD1 3.81Å; R504-I517 HydrophobicContact CG-CG1 4.32Å; R504-I517 PolarHBondContact NH1-O 2.84Å; R504-I517 VanDerWaalsContact NH2-C 3.32Å; R504-I517 PolarHBondContact NH2-O 2.84Å; R504-I517 VanDerWaalsContact O-CD1 3.3Å; R504-I517 WeakPolarHBondContact O-CD1 3.45Å; R504-I520 PolarHBondContact NH1-O 3.3Å; R504-I520 VanDerWaalsContact NH1-O 3.13Å; R504-Y522 VanDerWaalsContact NE-CD1 3.29Å; R504-Y522 VanDerWaalsContact NH2-CD1 3.34Å; R504-I539 VanDerWaalsContact CD-O 3.29Å; R504-I539 WeakPolarHBondContact CD-O 3.32Å; R504-I539 HydrophobicContact CG-CB 4.14Å; R504-I539 WeakPolarHBondContact CG-O 3.43Å; R504-I539 PolarHBondContact NH1-O 3.36Å
505	L	96.1	Very high	95.5	Very high	84 Å²	84	57.9 Å²	57.9	44%	0.44	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-47.1	175.8	-70.7	173.4	0	0	0	111.1	L476 E501 L502 S508	L476-L505 HydrophobicContact CD1-CB 4.16Å; L476-L505 HydrophobicContact CD1-CD1 4.18Å; L476-L505 HydrophobicContact CD2-CB 3.97Å; E501-L505 WeakPolarHBondContact O-CG 3.41Å; E501-L505 PolarHBondContact O-N 3.39Å; L502-L505 PolarHBondContact O-N 3.17Å; L505-S508 WeakPolarHBondContact O-CB 3.48Å; L505-S508 PolarHBondContact O-N 3.39Å; L505-S508 PolarHBondContact O-OG 3.02Å
506	D	96.2	Very high	95.3	Very high	21 Å²	21	58.8 Å²	58.8	11%	0.112	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-53.3	174.5	-176.3	70.5	0	0	0	111.1	L476 L479 L502 S508 T509 F510	L476-D506 HydrophobicContact CD2-CB 3.99Å; L479-D506 HydrophobicContact CD1-CB 3.93Å; L502-D506 WeakPolarHBondContact O-CB 3.43Å; L502-D506 PolarHBondContact O-N 3.27Å; D506-S508 VanDerWaalsContact C-N 3.25Å; D506-S508 PolarHBondContact O-N 3.08Å; D506-T509 WeakPolarHBondContact O-CB 3.45Å; D506-T509 PolarHBondContact O-N 2.8Å; D506-T509 VanDerWaalsContact O-N 3.08Å; D506-T509 PolarHBondContact O-OG1 2.87Å; D506-F510 WeakPolarHBondContact O-CD2 3.45Å; D506-F510 WeakPolarHBondContact O-CE2 3.16Å
507	L	95.7	Very high	95.3	Very high	57 Å²	57	58.3 Å²	58.3	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-55.7	-39.7	177.4	179.1	58.3	0	0	0	112.4	R503 R504 T509 F510 L511 I517 I539	R503-L507 VanDerWaalsContact O-CB 3.25Å; R503-L507 WeakPolarHBondContact O-CB 3.38Å; R503-L507 PolarHBondContact O-N 3.18Å; R504-L507 PolarHBondContact O-N 2.99Å; L507-T509 PolarHBondContact O-N 3.42Å; L507-T509 VanDerWaalsContact O-N 3.16Å; L507-F510 PolarHBondContact O-N 3.48Å; L507-L511 HydrophobicContact CD1-CD2 4.44Å; L507-L511 HydrophobicContact CG-CD1 4.25Å; L507-L511 HydrophobicContact CG-CG 4.41Å; L507-L511 WeakPolarHBondContact O-CG 3.29Å; L507-I517 HydrophobicContact CB-CD1 4.17Å; L507-I517 HydrophobicContact CD2-CD1 3.87Å; L507-I517 HydrophobicContact CG-CD1 4.19Å; L507-I539 HydrophobicContact CD2-CD1 4.01Å; L507-I539 HydrophobicContact CD2-CG2 4.22Å
508	S	95.7	Very high	95.1	Very high	26 Å²	26	61.2 Å²	61.2	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-27.2	-178.6	80.7	0	0	0	0	113.3	R504 L505 D506 F510 L511	R504-S508 WeakPolarHBondContact O-CB 3.49Å; R504-S508 PolarHBondContact O-N 2.99Å; L505-S508 WeakPolarHBondContact O-CB 3.48Å; L505-S508 PolarHBondContact O-N 3.39Å; L505-S508 PolarHBondContact O-OG 3.02Å; D506-S508 VanDerWaalsContact C-N 3.25Å; D506-S508 PolarHBondContact O-N 3.08Å; S508-F510 VanDerWaalsContact C-N 3.25Å; S508-F510 PolarHBondContact O-N 3.32Å; S508-L511 PolarHBondContact O-N 3.1Å
509	T	94	Very high	95	Very high	101 Å²	101	69.6 Å²	69.6	62%	0.62	34%	0.344	S	S	*	.	H	α-helix	trans	-70.1	-23	177.5	71.6	0	0	0	0	113.1	D506 L507	D506-T509 WeakPolarHBondContact O-CB 3.45Å; D506-T509 PolarHBondContact O-N 2.8Å; D506-T509 VanDerWaalsContact O-N 3.08Å; D506-T509 PolarHBondContact O-OG1 2.87Å; L507-T509 PolarHBondContact O-N 3.42Å; L507-T509 VanDerWaalsContact O-N 3.16Å
510	F	93.7	Very high	94.9	Very high	141 Å²	141	72.4 Å²	72.4	62%	0.618	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.3	-179.8	-56	-78.9	0	0	0	113.2	D506 L507 S508	D506-F510 WeakPolarHBondContact O-CD2 3.45Å; D506-F510 WeakPolarHBondContact O-CE2 3.16Å; L507-F510 PolarHBondContact O-N 3.48Å; S508-F510 VanDerWaalsContact C-N 3.25Å; S508-F510 PolarHBondContact O-N 3.32Å
511	L	94.3	Very high	94.9	Very high	59 Å²	59	74.3 Å²	74.3	31%	0.309	37%	0.371	S	S	.	.			trans	-94.5	134.3	-177.2	-63.5	177.6	0	0	0	111.5	L507 S508 N513 I516	L507-L511 HydrophobicContact CD1-CD2 4.44Å; L507-L511 HydrophobicContact CG-CD1 4.25Å; L507-L511 HydrophobicContact CG-CG 4.41Å; L507-L511 WeakPolarHBondContact O-CG 3.29Å; S508-L511 PolarHBondContact O-N 3.1Å; L511-N513 PolarHBondContact O-N 3.42Å; L511-N513 VanDerWaalsContact O-N 3.16Å; L511-I516 HydrophobicContact CD1-CG2 3.87Å
512	N	94.6	Very high	94.8	Very high	180 Å²	180	73.3 Å²	73.3	96%	0.963	37%	0.365	S	S	*	.	S	Bend	trans	-57.9	-29.2	172.1	-68.8	-17.2	0	0	0	113.1
513	N	93.6	Very high	94.7	Very high	86 Å²	86	78.7 Å²	78.7	46%	0.46	39%	0.389	S	S	.	.	S	Bend	trans	-129.9	95.6	173.2	-176.7	-5.9	0	0	0	109.4	L511 H515 I516	L511-N513 PolarHBondContact O-N 3.42Å; L511-N513 VanDerWaalsContact O-N 3.16Å; N513-H515 VanDerWaalsContact C-N 3.26Å; N513-H515 PolarHBondContact O-N 2.91Å; N513-H515 PolarHBondContact OD1-N 3.05Å; N513-I516 VanDerWaalsContact O-CG2 3.26Å; N513-I516 WeakPolarHBondContact O-CG2 3.48Å; N513-I516 PolarHBondContact O-N 2.74Å
514	P	91.3	Very high	94.6	Very high	55 Å²	55	86.2 Å²	86.2	36%	0.357	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-57.4	-35.6	-178.8	-27.8	36.2	0	0	0	113.6	I516 I517	P514-I516 PolarHBondContact O-N 2.78Å; P514-I517 VanDerWaalsContact O-CG2 3.25Å; P514-I517 WeakPolarHBondContact O-CG2 3.4Å; P514-I517 PolarHBondContact O-N 3.34Å
515	H	92	Very high	94.4	Very high	119 Å²	119	88 Å²	88	55%	0.551	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-66.1	-12.2	-176.5	-61.5	-64.8	0	0	0	114.1	N513 I517 E518	N513-H515 VanDerWaalsContact C-N 3.26Å; N513-H515 PolarHBondContact O-N 2.91Å; N513-H515 PolarHBondContact OD1-N 3.05Å; H515-I517 PolarHBondContact O-N 3.38Å; H515-E518 IonicContact CE1-OE1 3.36Å; H515-E518 IonicContact CG-OE1 3.35Å; H515-E518 IonicContact ND1-OE1 2.63Å; H515-E518 PolarHBondContact ND1-OE1 3.47Å; H515-E518 IonicContact ND1-OE2 3.33Å; H515-E518 WeakPolarHBondContact O-CB 3.29Å; H515-E518 PolarHBondContact O-N 3.16Å
516	I	91.8	Very high	94.3	Very high	92 Å²	92	86.4 Å²	86.4	47%	0.472	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-64.6	-31.1	177.5	-155.7	161.3	0	0	0	111.8	L511 N513 P514 E518 R519	L511-I516 HydrophobicContact CD1-CG2 3.87Å; N513-I516 VanDerWaalsContact O-CG2 3.26Å; N513-I516 WeakPolarHBondContact O-CG2 3.48Å; N513-I516 PolarHBondContact O-N 2.74Å; P514-I516 PolarHBondContact O-N 2.78Å; I516-E518 PolarHBondContact O-N 3.44Å; I516-R519 WeakPolarHBondContact O-CB 3.33Å; I516-R519 PolarHBondContact O-N 2.88Å
517	I	94	Very high	94.3	Very high	13 Å²	13	85.8 Å²	85.8	7%	0.067	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-66.2	-30.4	-178.1	-154.9	169	0	0	0	111.3	R504 L507 P514 H515 R519 I520	R504-I517 HydrophobicContact CB-CD1 3.61Å; R504-I517 HydrophobicContact CB-CG1 4.41Å; R504-I517 HydrophobicContact CG-CD1 3.81Å; R504-I517 HydrophobicContact CG-CG1 4.32Å; R504-I517 PolarHBondContact NH1-O 2.84Å; R504-I517 VanDerWaalsContact NH2-C 3.32Å; R504-I517 PolarHBondContact NH2-O 2.84Å; R504-I517 VanDerWaalsContact O-CD1 3.3Å; R504-I517 WeakPolarHBondContact O-CD1 3.45Å; L507-I517 HydrophobicContact CB-CD1 4.17Å; L507-I517 HydrophobicContact CD2-CD1 3.87Å; L507-I517 HydrophobicContact CG-CD1 4.19Å; P514-I517 VanDerWaalsContact O-CG2 3.25Å; P514-I517 WeakPolarHBondContact O-CG2 3.4Å; P514-I517 PolarHBondContact O-N 3.34Å; H515-I517 PolarHBondContact O-N 3.38Å; I517-R519 PolarHBondContact O-N 3.14Å; I517-I520 WeakPolarHBondContact O-CB 3.44Å; I517-I520 PolarHBondContact O-N 2.84Å
518	E	93.2	Very high	94.2	Very high	130 Å²	130	91.8 Å²	91.8	61%	0.607	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.9	178	-61.2	171.7	-161.3	0	0	112.4	H515 I516 I520	H515-E518 IonicContact CE1-OE1 3.36Å; H515-E518 IonicContact CG-OE1 3.35Å; H515-E518 IonicContact ND1-OE1 2.63Å; H515-E518 PolarHBondContact ND1-OE1 3.47Å; H515-E518 IonicContact ND1-OE2 3.33Å; H515-E518 WeakPolarHBondContact O-CB 3.29Å; H515-E518 PolarHBondContact O-N 3.16Å; I516-E518 PolarHBondContact O-N 3.44Å; E518-I520 VanDerWaalsContact C-N 3.3Å
519	R	94.1	Very high	94	Very high	218 Å²	218	92.8 Å²	92.8	82%	0.823	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-77.5	-15.7	176.9	-59.8	-175.5	-177.5	-177.2	0.4	113.5	I516 I517 P521	I516-R519 WeakPolarHBondContact O-CB 3.33Å; I516-R519 PolarHBondContact O-N 2.88Å; I517-R519 PolarHBondContact O-N 3.14Å; R519-P521 WeakPolarHBondContact O-CD 3.42Å
520	I	95.8	Very high	94	Very high	59 Å²	59	88.4 Å²	88.4	30%	0.303	42%	0.42	S	S	.	.	S	Bend	trans	-85.3	114.6	173.4	-57.6	175.4	0	0	0	107.3	R504 I517 E518 I539	R504-I520 PolarHBondContact NH1-O 3.3Å; R504-I520 VanDerWaalsContact NH1-O 3.13Å; I517-I520 WeakPolarHBondContact O-CB 3.44Å; I517-I520 PolarHBondContact O-N 2.84Å; E518-I520 VanDerWaalsContact C-N 3.3Å; I520-I539 HydrophobicContact CD1-CD1 4.19Å
521	P	96.7	Very high	93.8	Very high	41 Å²	41	87 Å²	87	27%	0.266	41%	0.411	S	S	.	.			trans	-68	139.8	-178.1	30.2	-34.4	0	0	0	110.1	R519 G540 Y541 P543	R519-P521 WeakPolarHBondContact O-CD 3.42Å; P521-G540 VanDerWaalsContact O-CA 3.27Å; P521-G540 WeakPolarHBondContact O-CA 3.33Å; P521-Y541 HydrophobicContact CB-CE1 3.96Å; P521-Y541 HydrophobicContact CB-CE2 4.16Å; P521-Y541 HydrophobicContact CG-CD2 4.26Å; P521-Y541 HydrophobicContact CG-CE1 4.38Å; P521-Y541 HydrophobicContact CG-CE2 3.95Å; P521-Y541 WeakPolarHBondContact CG-O 3.24Å; P521-Y541 WeakPolarHBondContact O-CD1 3.22Å; P521-Y541 PolarHBondContact O-N 2.95Å; P521-P543 VanDerWaalsContact CG-CD 3.48Å; P521-P543 HydrophobicContact CG-CG 3.83Å
522	Y	96.7	Very high	93.4	Very high	36 Å²	36	87.1 Å²	87.1	14%	0.141	43%	0.427	C	S	.	.			trans	-145.3	-14.5	-179.6	80.4	-83.1	0	0	0	113.2	F497 V500 E501 R504 Y527	F497-Y522 HydrophobicContact CE2-CD2 4.15Å; F497-Y522 HydrophobicContact CE2-CE2 4.1Å; F497-Y522 HydrophobicContact CZ-CD2 4.36Å; F497-Y522 AromaticContact CZ-CE2 3.84Å; F497-Y522 HydrophobicContact CZ-CE2 3.84Å; V500-Y522 HydrophobicContact CG1-CD2 4.26Å; E501-Y522 HydrophobicContact CG-CD2 4.25Å; E501-Y522 HydrophobicContact CG-CE2 3.48Å; E501-Y522 VanDerWaalsContact CG-CE2 3.48Å; E501-Y522 WeakPolarHBondContact OE1-CE2 3.06Å; E501-Y522 PolarHBondContact OE1-OH 3.45Å; E501-Y522 VanDerWaalsContact OE1-OH 3.04Å; R504-Y522 VanDerWaalsContact NE-CD1 3.29Å; R504-Y522 VanDerWaalsContact NH2-CD1 3.34Å; Y522-Y527 VanDerWaalsContact C-OH 3.26Å; Y522-Y527 WeakPolarHBondContact CA-OH 3.35Å; Y522-Y527 WeakPolarHBondContact CB-OH 3.4Å; Y522-Y527 VanDerWaalsContact O-CE2 3.22Å; Y522-Y527 WeakPolarHBondContact O-CE2 3.42Å; Y522-Y527 PolarHBondContact O-OH 3.32Å
523	K	96	Very high	93	Very high	115 Å²	115	84.2 Å²	84.2	50%	0.5	41%	0.407	S	S	.	.	S	Bend	trans	-79	160.7	177.3	-61.7	-175.4	179.1	-177.5	0	110.9	Y525	K523-Y525 PolarHBondContact O-N 3.08Å
524	D	92.9	Very high	92.7	Very high	164 Å²	164	82.8 Å²	82.8	88%	0.877	40%	0.403	S	S	*	.	S	Bend	trans	56.9	34.8	175	-48.3	-50.4	0	0	0	114
525	Y	94.2	Very high	92.7	Very high	50 Å²	50	82.6 Å²	82.6	20%	0.196	40%	0.403	C	S	.	.			trans	-128.5	130	-178.5	-167.2	-92.4	0	0	0	111.1	K523 Y527 V530 Y541	K523-Y525 PolarHBondContact O-N 3.08Å; Y525-Y527 AromaticContact CD1-CD1 3.74Å; Y525-Y527 HydrophobicContact CD1-CD1 3.74Å; Y525-Y527 HydrophobicContact CD1-CD2 4.48Å; Y525-Y527 AromaticContact CD1-CE1 3.55Å; Y525-Y527 HydrophobicContact CD1-CE1 3.55Å; Y525-Y527 HydrophobicContact CD1-CE2 4.34Å; Y525-Y527 HydrophobicContact CD1-CG 4.2Å; Y525-Y527 AromaticContact CD1-CZ 3.88Å; Y525-Y527 HydrophobicContact CE1-CD1 4.19Å; Y525-Y527 HydrophobicContact CE1-CE1 4.17Å; Y525-Y527 HydrophobicContact CG-CE1 4.44Å; Y525-Y527 VanDerWaalsContact O-CD2 3.27Å; Y525-Y527 WeakPolarHBondContact O-CD2 3.4Å; Y525-Y527 PolarHBondContact O-N 3.25Å; Y525-Y527 VanDerWaalsContact O-N 3.08Å; Y525-V530 HydrophobicContact CE1-CG2 3.66Å; Y525-Y541 HydrophobicContact CD1-CD1 4.45Å; Y525-Y541 AromaticContact CD2-CD1 3.72Å; Y525-Y541 HydrophobicContact CD2-CD1 3.72Å; Y525-Y541 HydrophobicContact CD2-CD2 4.36Å; Y525-Y541 HydrophobicContact CD2-CE1 4.02Å; Y525-Y541 AromaticContact CD2-CG 3.9Å; Y525-Y541 HydrophobicContact CD2-CG 3.9Å; Y525-Y541 HydrophobicContact CE2-CD1 4.43Å; Y525-Y541 HydrophobicContact CE2-CG 4.19Å; Y525-Y541 AromaticContact CG-CD1 3.73Å; Y525-Y541 HydrophobicContact CG-CD1 3.73Å; Y525-Y541 HydrophobicContact CG-CE1 4.08Å; Y525-Y541 HydrophobicContact CG-CG 4.29Å
526	D	94.1	Very high	92.6	Very high	52 Å²	52	83.2 Å²	83.2	28%	0.278	41%	0.406	S	S	.	.			trans	-82.7	86.7	-177.1	-169.5	-3.2	0	0	0	112	R528 L529	D526-R528 PolarHBondContact O-N 3.14Å; D526-R528 VanDerWaalsContact O-N 3.14Å; D526-R528 VanDerWaalsContact OD1-CB 3.23Å; D526-R528 WeakPolarHBondContact OD1-CB 3.18Å; D526-R528 WeakPolarHBondContact OD1-CG 3.39Å; D526-R528 IonicContact OD1-CZ 2.79Å; D526-R528 PolarHBondContact OD1-N 2.74Å; D526-R528 VanDerWaalsContact OD1-N 3.14Å; D526-R528 IonicContact OD1-NE 2.78Å; D526-R528 PolarHBondContact OD1-NE 3.16Å; D526-R528 IonicContact OD1-NH2 3.24Å; D526-R528 IonicContact OD2-CZ 2.83Å; D526-R528 IonicContact OD2-NE 3.44Å; D526-R528 PolarHBondContact OD2-NE 3.49Å; D526-R528 IonicContact OD2-NH2 3.5Å; D526-R528 PolarHBondContact OD2-NH2 3.11Å; D526-L529 HydrophobicContact CB-CD1 4.39Å; D526-L529 PolarHBondContact O-N 3.02Å
527	Y	95.6	Very high	92.7	Very high	8 Å²	8	82.1 Å²	82.1	3%	0.031	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-65	-12.3	179	-65.5	-71.2	0	0	0	114.7	F497 V500 Y522 Y525 L529 V530 Y531 V538	F497-Y527 HydrophobicContact CB-CD2 4.38Å; F497-Y527 HydrophobicContact CD2-CD2 4.07Å; F497-Y527 AromaticContact CD2-CE2 3.91Å; F497-Y527 HydrophobicContact CD2-CE2 3.91Å; F497-Y527 HydrophobicContact CE2-CE2 4.49Å; V500-Y527 HydrophobicContact CB-CE2 4.37Å; V500-Y527 HydrophobicContact CG1-CE1 4.48Å; V500-Y527 HydrophobicContact CG1-CE2 4.36Å; V500-Y527 HydrophobicContact CG2-CD1 3.82Å; V500-Y527 HydrophobicContact CG2-CD2 4.07Å; V500-Y527 HydrophobicContact CG2-CE1 3.84Å; V500-Y527 HydrophobicContact CG2-CE2 4.08Å; V500-Y527 HydrophobicContact CG2-CG 3.94Å; Y522-Y527 VanDerWaalsContact C-OH 3.26Å; Y522-Y527 WeakPolarHBondContact CA-OH 3.35Å; Y522-Y527 WeakPolarHBondContact CB-OH 3.4Å; Y522-Y527 VanDerWaalsContact O-CE2 3.22Å; Y522-Y527 WeakPolarHBondContact O-CE2 3.42Å; Y522-Y527 PolarHBondContact O-OH 3.32Å; Y525-Y527 AromaticContact CD1-CD1 3.74Å; Y525-Y527 HydrophobicContact CD1-CD1 3.74Å; Y525-Y527 HydrophobicContact CD1-CD2 4.48Å; Y525-Y527 AromaticContact CD1-CE1 3.55Å; Y525-Y527 HydrophobicContact CD1-CE1 3.55Å; Y525-Y527 HydrophobicContact CD1-CE2 4.34Å; Y525-Y527 HydrophobicContact CD1-CG 4.2Å; Y525-Y527 AromaticContact CD1-CZ 3.88Å; Y525-Y527 HydrophobicContact CE1-CD1 4.19Å; Y525-Y527 HydrophobicContact CE1-CE1 4.17Å; Y525-Y527 HydrophobicContact CG-CE1 4.44Å; Y525-Y527 VanDerWaalsContact O-CD2 3.27Å; Y525-Y527 WeakPolarHBondContact O-CD2 3.4Å; Y525-Y527 PolarHBondContact O-N 3.25Å; Y525-Y527 VanDerWaalsContact O-N 3.08Å; Y527-L529 PolarHBondContact O-N 3.21Å; Y527-V530 PolarHBondContact O-N 3.44Å; Y527-Y531 PolarHBondContact O-N 3.13Å; Y527-V538 HydrophobicContact CD1-CG1 3.72Å; Y527-V538 HydrophobicContact CE1-CG1 3.45Å; Y527-V538 VanDerWaalsContact CE1-CG1 3.45Å
528	R	93.6	Very high	92.8	Very high	182 Å²	182	82 Å²	82	69%	0.687	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-63.1	-26.6	174.1	-58.4	174	-64.2	178.8	2.8	111.9	P496 D526 V530	P496-R528 HydrophobicContact CG-CG 4.31Å; D526-R528 PolarHBondContact O-N 3.14Å; D526-R528 VanDerWaalsContact O-N 3.14Å; D526-R528 VanDerWaalsContact OD1-CB 3.23Å; D526-R528 WeakPolarHBondContact OD1-CB 3.18Å; D526-R528 WeakPolarHBondContact OD1-CG 3.39Å; D526-R528 IonicContact OD1-CZ 2.79Å; D526-R528 PolarHBondContact OD1-N 2.74Å; D526-R528 VanDerWaalsContact OD1-N 3.14Å; D526-R528 IonicContact OD1-NE 2.78Å; D526-R528 PolarHBondContact OD1-NE 3.16Å; D526-R528 IonicContact OD1-NH2 3.24Å; D526-R528 IonicContact OD2-CZ 2.83Å; D526-R528 IonicContact OD2-NE 3.44Å; D526-R528 PolarHBondContact OD2-NE 3.49Å; D526-R528 IonicContact OD2-NH2 3.5Å; D526-R528 PolarHBondContact OD2-NH2 3.11Å; R528-V530 VanDerWaalsContact C-N 3.35Å
529	L	92.6	Very high	93	Very high	47 Å²	47	78.2 Å²	78.2	25%	0.246	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-80.3	-16.7	176.5	-60.7	174.6	0	0	0	113	D526 Y527 L820	D526-L529 HydrophobicContact CB-CD1 4.39Å; D526-L529 PolarHBondContact O-N 3.02Å; Y527-L529 PolarHBondContact O-N 3.21Å; L529-L820 HydrophobicContact CB-CD2 4.05Å
530	V	92.3	Very high	93.1	Very high	10 Å²	10	68.7 Å²	68.7	6%	0.061	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-42.2	-179.4	178.3	0	0	0	0	111.5	Y525 Y527 R528 G532 Q533 C534 C535 V538 L820	Y525-V530 HydrophobicContact CE1-CG2 3.66Å; Y527-V530 PolarHBondContact O-N 3.44Å; R528-V530 VanDerWaalsContact C-N 3.35Å; V530-G532 PolarHBondContact O-N 3.04Å; V530-Q533 PolarHBondContact O-N 3.47Å; V530-C534 HydrophobicContact CG1-CB 4.04Å; V530-C534 PolarHBondContact O-N 3.37Å; V530-C535 HydrophobicContact CG1-CB 3.9Å; V530-V538 HydrophobicContact CG1-CG2 3.55Å; V530-L820 HydrophobicContact CG2-CD2 3.92Å
531	Y	90	Very high	93.1	Very high	111 Å²	111	69.4 Å²	69.4	44%	0.435	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	123.7	-174.2	177.9	-127.2	0	0	0	112.2	E490 Y527 Q533	E490-Y531 HydrophobicContact CB-CD2 3.5Å; E490-Y531 HydrophobicContact CB-CE1 4.32Å; E490-Y531 HydrophobicContact CB-CE2 3.26Å; E490-Y531 HydrophobicContact CB-CG 4.16Å; E490-Y531 HydrophobicContact CG-CD2 3.58Å; E490-Y531 HydrophobicContact CG-CE2 3.87Å; E490-Y531 HydrophobicContact CG-CG 4.19Å; Y527-Y531 PolarHBondContact O-N 3.13Å; Y531-Q533 PolarHBondContact O-N 2.95Å
532	G	87	Confident	93	Very high	62 Å²	62	74.5 Å²	74.5	64%	0.639	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	8.9	179.4	0	0	0	0	0	115.2	V530	V530-G532 PolarHBondContact O-N 3.04Å
533	Q	85.9	Confident	92.9	Very high	118 Å²	118	76.6 Å²	76.6	55%	0.551	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	-43.8	-175.9	-62.5	-63.9	-59.5	0	0	113.3	V530 Y531	V530-Q533 PolarHBondContact O-N 3.47Å; Y531-Q533 PolarHBondContact O-N 2.95Å
534	C	87.4	Confident	92.9	Very high	56 Å²	56	74.5 Å²	74.5	38%	0.378	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-42	-167.9	-63.4	0	0	0	0	113.8	V530	V530-C534 HydrophobicContact CG1-CB 4.04Å; V530-C534 PolarHBondContact O-N 3.37Å
535	C	91.4	Very high	93.1	Very high	51 Å²	51	70.9 Å²	70.9	35%	0.345	37%	0.37	S	S	.	.			trans	-157	135.9	-177.8	-178.8	0	0	0	0	110.5	V530 V538	V530-C535 HydrophobicContact CG1-CB 3.9Å; C535-V538 HydrophobicContact CB-CG2 3.8Å; C535-V538 WeakPolarHBondContact O-CG2 3.12Å
536	E	89.9	Confident	93.3	Very high	133 Å²	133	72.4 Å²	72.4	62%	0.621	38%	0.384	S	S	*	.	S	Bend	trans	-92.7	-27.2	-177	67.1	-78.8	-173.8	0	0	114.4
537	E	94.3	Very high	93.5	Very high	68 Å²	68	70.9 Å²	70.9	32%	0.318	38%	0.381	S	S	.	.	S	Bend	trans	-120.1	66.4	-176.6	-74.5	-77	-173.8	0	0	110.3	T486 R487 R503	T486-E537 VanDerWaalsContact CB-OE2 3.31Å; T486-E537 WeakPolarHBondContact CB-OE2 3.3Å; T486-E537 VanDerWaalsContact OG1-CD 3.27Å; T486-E537 PolarHBondContact OG1-OE1 3.21Å; T486-E537 PolarHBondContact OG1-OE2 2.91Å; T486-E537 VanDerWaalsContact OG1-OE2 3.12Å; R487-E537 VanDerWaalsContact CA-OE1 3.26Å; R487-E537 WeakPolarHBondContact CA-OE1 3.35Å; R487-E537 HydrophobicContact CB-CG 4.33Å; R487-E537 WeakPolarHBondContact CB-OE1 3.43Å; R487-E537 PolarHBondContact N-OE1 3.02Å; R503-E537 WeakPolarHBondContact CD-OE2 3.45Å; R503-E537 IonicContact CZ-OE2 2.69Å; R503-E537 IonicContact NE-OE2 3.6Å; R503-E537 PolarHBondContact NE-OE2 3.16Å; R503-E537 IonicContact NH2-OE2 3.21Å
538	V	96.2	Very high	93.6	Very high	10 Å²	10	76.6 Å²	76.6	6%	0.061	41%	0.406	C	S	.	.			trans	-83.5	124.5	-170.5	-171.1	0	0	0	0	111.4	V500 R503 Y527 V530 C535	V500-V538 HydrophobicContact CG2-CB 3.99Å; V500-V538 HydrophobicContact CG2-CG1 4.01Å; V500-V538 WeakPolarHBondContact CG2-O 3.48Å; R503-V538 WeakPolarHBondContact CD-O 3.42Å; R503-V538 PolarHBondContact NH1-O 3.36Å; Y527-V538 HydrophobicContact CD1-CG1 3.72Å; Y527-V538 HydrophobicContact CE1-CG1 3.45Å; Y527-V538 VanDerWaalsContact CE1-CG1 3.45Å; V530-V538 HydrophobicContact CG1-CG2 3.55Å; C535-V538 HydrophobicContact CB-CG2 3.8Å; C535-V538 WeakPolarHBondContact O-CG2 3.12Å
539	I	96.2	Very high	93.9	Very high	51 Å²	51	67.9 Å²	67.9	26%	0.262	37%	0.373	S	S	.	.			trans	-114	-0.6	173.9	61.9	166.9	0	0	0	113.6	R503 R504 L507 I520	R503-I539 HydrophobicContact CG-CG2 3.94Å; R504-I539 VanDerWaalsContact CD-O 3.29Å; R504-I539 WeakPolarHBondContact CD-O 3.32Å; R504-I539 HydrophobicContact CG-CB 4.14Å; R504-I539 WeakPolarHBondContact CG-O 3.43Å; R504-I539 PolarHBondContact NH1-O 3.36Å; L507-I539 HydrophobicContact CD2-CD1 4.01Å; L507-I539 HydrophobicContact CD2-CG2 4.22Å; I520-I539 HydrophobicContact CD1-CD1 4.19Å
540	G	96.1	Very high	94	Very high	18 Å²	18	66.4 Å²	66.4	19%	0.186	37%	0.369	C	S	.	.			trans	154.3	-161	-175.4	0	0	0	0	0	111.5	P521	P521-G540 VanDerWaalsContact O-CA 3.27Å; P521-G540 WeakPolarHBondContact O-CA 3.33Å
541	Y	95.2	Very high	94.3	Very high	75 Å²	75	67.9 Å²	67.9	29%	0.294	38%	0.379	S	S	.	.			trans	-137.6	163.9	177	64.1	-87.1	0	0	0	111.2	P521 Y525 P543	P521-Y541 HydrophobicContact CB-CE1 3.96Å; P521-Y541 HydrophobicContact CB-CE2 4.16Å; P521-Y541 HydrophobicContact CG-CD2 4.26Å; P521-Y541 HydrophobicContact CG-CE1 4.38Å; P521-Y541 HydrophobicContact CG-CE2 3.95Å; P521-Y541 WeakPolarHBondContact CG-O 3.24Å; P521-Y541 WeakPolarHBondContact O-CD1 3.22Å; P521-Y541 PolarHBondContact O-N 2.95Å; Y525-Y541 HydrophobicContact CD1-CD1 4.45Å; Y525-Y541 AromaticContact CD2-CD1 3.72Å; Y525-Y541 HydrophobicContact CD2-CD1 3.72Å; Y525-Y541 HydrophobicContact CD2-CD2 4.36Å; Y525-Y541 HydrophobicContact CD2-CE1 4.02Å; Y525-Y541 AromaticContact CD2-CG 3.9Å; Y525-Y541 HydrophobicContact CD2-CG 3.9Å; Y525-Y541 HydrophobicContact CE2-CD1 4.43Å; Y525-Y541 HydrophobicContact CE2-CG 4.19Å; Y525-Y541 AromaticContact CG-CD1 3.73Å; Y525-Y541 HydrophobicContact CG-CD1 3.73Å; Y525-Y541 HydrophobicContact CG-CE1 4.08Å; Y525-Y541 HydrophobicContact CG-CG 4.29Å; Y541-P543 HydrophobicContact CE2-CB 4.27Å; Y541-P543 WeakPolarHBondContact O-CD 3.16Å
542	M	94.8	Very high	94.7	Very high	148 Å²	148	62.6 Å²	62.6	73%	0.729	36%	0.358	S	S	*	.			trans	-106.6	106.7	177.9	-176.6	54.1	59.7	0	0	110.5	I544	M542-I544 HydrophobicContact CG-CG1 4.4Å
543	P	94.3	Very high	95.3	Very high	79 Å²	79	61.1 Å²	61.1	51%	0.513	34%	0.336	S	S	.	.			trans	-75.4	132.5	174.4	31.1	-35	0	0	0	110.7	P521 Y541	P521-P543 VanDerWaalsContact CG-CD 3.48Å; P521-P543 HydrophobicContact CG-CG 3.83Å; Y541-P543 HydrophobicContact CE2-CB 4.27Å; Y541-P543 WeakPolarHBondContact O-CD 3.16Å
544	I	97.3	Very high	95.9	Very high	72 Å²	72	55.5 Å²	55.5	37%	0.369	31%	0.309	S	S	.	.			trans	-123.8	132.7	174.2	-57.2	178	0	0	0	107.8	M542 V546 A564 T566	M542-I544 HydrophobicContact CG-CG1 4.4Å; I544-V546 PolarHBondContact O-N 3.18Å; I544-A564 HydrophobicContact CB-CB 4.39Å; I544-A564 HydrophobicContact CG2-CB 3.96Å; I544-T566 HydrophobicContact CG2-CG2 4.46Å
545	P	97.8	Very high	96.4	Very high	87 Å²	87	55.6 Å²	55.6	57%	0.565	31%	0.306	S	S	*	.			trans	-56.9	133.7	176.5	-23.7	33.5	0	0	0	111.9	A564 T565	P545-A564 CarbonylContact O-C 3.54Å; P545-A564 VanDerWaalsContact O-CA 3.28Å; P545-A564 WeakPolarHBondContact O-CA 3.45Å; P545-T565 PolarHBondContact O-N 2.98Å
546	V	98.3	Very high	96.6	Very high	82 Å²	82	56.5 Å²	56.5	50%	0.497	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.1	178.3	-174.3	0	0	0	0	109.7	I544 P562 L563 A564	I544-V546 PolarHBondContact O-N 3.18Å; V546-P562 HydrophobicContact CG1-CB 3.82Å; V546-L563 WeakPolarHBondContact CA-O 3.48Å; V546-A564 HydrophobicContact CG2-CB 4.17Å
547	G	98	Very high	96.9	Very high	21 Å²	21	56.5 Å²	56.5	22%	0.216	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	160.3	175.4	0	0	0	0	0	113.1	P562 L563	G547-P562 WeakPolarHBondContact O-CA 3.3Å; G547-L563 PolarHBondContact N-O 2.98Å; G547-L563 PolarHBondContact O-N 3.28Å
548	K	98	Very high	97.1	Very high	127 Å²	127	56.6 Å²	56.6	55%	0.552	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.7	175.4	177	-165.1	168.9	-167.1	0	110.4	Y560 V571 N575	K548-Y560 HydrophobicContact CD-CD1 4.2Å; K548-Y560 HydrophobicContact CG-CD1 4.15Å; K548-V571 WeakPolarHBondContact O-CG1 3.28Å; K548-N575 PolarHBondContact O-ND2 3.41Å; K548-N575 VanDerWaalsContact O-ND2 3.13Å
549	I	98.5	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.6	169.3	-67.6	167.9	0	0	0	109.6	Y560 I561 L563 V571 T574 N575 C578 T848	I549-Y560 CarbonylContact O-C 3.53Å; I549-Y560 WeakPolarHBondContact O-CA 3.32Å; I549-I561 HydrophobicContact CB-CB 4.06Å; I549-I561 HydrophobicContact CG2-CB 4.39Å; I549-I561 HydrophobicContact CG2-CD1 4.22Å; I549-I561 PolarHBondContact N-O 2.9Å; I549-I561 PolarHBondContact O-N 2.83Å; I549-L563 HydrophobicContact CD1-CB 3.7Å; I549-L563 HydrophobicContact CD1-CD1 4.12Å; I549-L563 HydrophobicContact CD1-CD2 3.85Å; I549-L563 HydrophobicContact CD1-CG 4.08Å; I549-L563 HydrophobicContact CG1-CB 4.36Å; I549-V571 HydrophobicContact CG1-CG1 4.22Å; I549-T574 HydrophobicContact CD1-CG2 3.73Å; I549-T574 HydrophobicContact CG1-CG2 4.29Å; I549-T574 HydrophobicContact CG2-CG2 3.82Å; I549-N575 WeakPolarHBondContact CA-OD1 3.48Å; I549-C578 VanDerWaalsContact CG2-SG 3.52Å; I549-T848 HydrophobicContact CD1-CG2 4.14Å; I549-T848 HydrophobicContact CG2-CG2 4.49Å
550	G	96.3	Very high	97.3	Very high	16 Å²	16	59 Å²	59	17%	0.165	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.5	-172	166.8	0	0	0	0	0	115.3	N575	G550-N575 PolarHBondContact N-OD1 2.92Å
551	P	98.2	Very high	97.4	Very high	41 Å²	41	58.1 Å²	58.1	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-72.4	137.2	14.8	29.1	-34.7	0	0	0	113.1	H559 Y560 F582	P551-H559 CarbonylContact C-O 3.54Å; P551-H559 WeakPolarHBondContact CA-O 3.35Å; P551-Y560 HydrophobicContact CB-CE1 4.13Å; P551-Y560 HydrophobicContact CG-CE1 4.46Å; P551-F582 HydrophobicContact CG-CD2 4.15Å; P551-F582 HydrophobicContact CG-CE2 4.13Å
552	L	98.6	Very high	97.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.8	165.2	-178.3	73.2	0	0	0	108.3	L554 S558 H559 I561 I587 A851	L552-L554 HydrophobicContact CD2-CB 4.46Å; L552-L554 PolarHBondContact O-N 2.84Å; L552-S558 CarbonylContact O-C 3.32Å; L552-S558 WeakPolarHBondContact O-CA 3.31Å; L552-H559 PolarHBondContact N-O 3.02Å; L552-H559 PolarHBondContact O-N 2.91Å; L552-I561 HydrophobicContact CB-CD1 3.5Å; L552-I561 HydrophobicContact CD2-CD1 3.7Å; L552-I561 HydrophobicContact CG-CD1 4.2Å; L552-I587 HydrophobicContact CD1-CD1 3.76Å; L552-I587 HydrophobicContact CG-CD1 4.47Å; L552-A851 HydrophobicContact CD1-CB 4.38Å
553	L	98.6	Very high	97.8	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.9	174.3	-177	63.2	0	0	0	109.4	R557 F582 G586 I587	L553-R557 CarbonylContact C-O 3.21Å; L553-R557 WeakPolarHBondContact CA-O 3.46Å; L553-F582 HydrophobicContact CB-CD2 3.81Å; L553-F582 HydrophobicContact CB-CE2 4.28Å; L553-F582 HydrophobicContact CD2-CD2 4.42Å; L553-F582 HydrophobicContact CD2-CE2 4.49Å; L553-G586 CarbonylContact O-C 3.59Å; L553-G586 WeakPolarHBondContact O-CA 3.47Å; L553-I587 PolarHBondContact O-N 3.31Å
554	L	98.4	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	-175.6	178.6	74.1	0	0	0	109.9	L552 G556 R557 I587 S589 R843 I844	L552-L554 HydrophobicContact CD2-CB 4.46Å; L552-L554 PolarHBondContact O-N 2.84Å; L554-G556 PolarHBondContact O-N 3.5Å; L554-G556 VanDerWaalsContact O-N 3.09Å; L554-R557 PolarHBondContact N-O 2.87Å; L554-R557 PolarHBondContact O-N 3.24Å; L554-I587 HydrophobicContact CD1-CB 3.77Å; L554-I587 HydrophobicContact CD1-CG2 3.56Å; L554-S589 WeakPolarHBondContact CD1-OG 3.36Å; L554-R843 HydrophobicContact CD2-CB 4.06Å; L554-I844 HydrophobicContact CD2-CB 4.27Å; L554-I844 HydrophobicContact CD2-CG1 3.6Å
555	D	97.7	Very high	98	Very high	59 Å²	59	42.1 Å²	42.1	32%	0.316	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	37.9	178.9	-55.9	-34.9	0	0	0	112.7	R557 I587 K588 S589 R843	D555-R557 VanDerWaalsContact C-N 3.33Å; D555-R557 PolarHBondContact O-N 2.81Å; D555-I587 PolarHBondContact N-O 3.02Å; D555-K588 WeakPolarHBondContact OD1-CA 3.38Å; D555-S589 PolarHBondContact OD1-N 2.99Å; D555-S589 PolarHBondContact OD1-OG 2.87Å; D555-S589 PolarHBondContact OD2-OG 2.87Å; D555-R843 IonicContact OD2-CZ 3.55Å; D555-R843 IonicContact OD2-NH1 2.66Å; D555-R843 PolarHBondContact OD2-NH1 3.44Å
556	G	96.5	Very high	97.9	Very high	70 Å²	70	44.1 Å²	44.1	72%	0.722	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	2.3	-178.1	0	0	0	0	0	115.7	L554	L554-G556 PolarHBondContact O-N 3.5Å; L554-G556 VanDerWaalsContact O-N 3.09Å
557	R	96.5	Very high	97.6	Very high	132 Å²	132	42.9 Å²	42.9	50%	0.498	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.8	179.7	-61.1	-175	-178.2	-159.9	0.2	111.5	L553 L554 D555	L553-R557 CarbonylContact C-O 3.21Å; L553-R557 WeakPolarHBondContact CA-O 3.46Å; L554-R557 PolarHBondContact N-O 2.87Å; L554-R557 PolarHBondContact O-N 3.24Å; D555-R557 VanDerWaalsContact C-N 3.33Å; D555-R557 PolarHBondContact O-N 2.81Å
558	S	97.7	Very high	97.1	Very high	71 Å²	71	43.8 Å²	43.8	50%	0.497	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.9	179.3	-69.8	0	0	0	0	110.9	L552	L552-S558 CarbonylContact O-C 3.32Å; L552-S558 WeakPolarHBondContact O-CA 3.31Å
559	H	98.3	Very high	96.8	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.8	179.4	-60.6	-86.2	0	0	0	111.9	P551 L552 L830 H840	P551-H559 CarbonylContact C-O 3.54Å; P551-H559 WeakPolarHBondContact CA-O 3.35Å; L552-H559 PolarHBondContact N-O 3.02Å; L552-H559 PolarHBondContact O-N 2.91Å; H559-L830 PolarHBondContact ND1-O 3.23Å; H559-H840 AromaticContact CE1-CE1 3.88Å; H559-H840 AromaticContact CE1-NE2 3.15Å; H559-H840 PolarHBondContact CE1-NE2 2.82Å; H559-H840 AromaticContact NE2-CE1 3.63Å; H559-H840 AromaticContact NE2-NE2 3.37Å; H559-H840 PolarHBondContact NE2-NE2 2.77Å
560	Y	98.4	Very high	96.7	Very high	101 Å²	101	38.5 Å²	38.5	40%	0.396	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.4	164	-70.3	-69.3	0	0	0	109	K548 I549 P551	K548-Y560 HydrophobicContact CD-CD1 4.2Å; K548-Y560 HydrophobicContact CG-CD1 4.15Å; I549-Y560 CarbonylContact O-C 3.53Å; I549-Y560 WeakPolarHBondContact O-CA 3.32Å; P551-Y560 HydrophobicContact CB-CE1 4.13Å; P551-Y560 HydrophobicContact CG-CE1 4.46Å
561	I	98.7	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.7	-169.8	-65.9	128.4	0	0	0	109.7	I549 L552 M770 L830 I844 T848	I549-I561 HydrophobicContact CB-CB 4.06Å; I549-I561 HydrophobicContact CG2-CB 4.39Å; I549-I561 HydrophobicContact CG2-CD1 4.22Å; I549-I561 PolarHBondContact N-O 2.9Å; I549-I561 PolarHBondContact O-N 2.83Å; L552-I561 HydrophobicContact CB-CD1 3.5Å; L552-I561 HydrophobicContact CD2-CD1 3.7Å; L552-I561 HydrophobicContact CG-CD1 4.2Å; I561-M770 HydrophobicContact CG2-CE 3.62Å; I561-M770 HydrophobicContact CG2-CG 4.08Å; I561-M770 HydrophobicContact CG2-SD 3.84Å; I561-L830 HydrophobicContact CB-CD2 4.43Å; I561-L830 HydrophobicContact CG1-CD2 4.04Å; I561-I844 HydrophobicContact CD1-CG2 4.2Å; I561-I844 HydrophobicContact CG1-CG2 3.69Å; I561-T848 HydrophobicContact CD1-CG2 4.44Å; I561-T848 VanDerWaalsContact CD1-OG1 3.29Å; I561-T848 WeakPolarHBondContact CD1-OG1 3.41Å; I561-T848 HydrophobicContact CG2-CG2 4.25Å
562	P	98.6	Very high	96.6	Very high	3 Å²	3	39 Å²	39	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.1	170.6	31.3	-29.9	0	0	0	110.1	V546 G547 A773 C826 L829	V546-P562 HydrophobicContact CG1-CB 3.82Å; G547-P562 WeakPolarHBondContact O-CA 3.3Å; P562-A773 HydrophobicContact CB-CB 4.13Å; P562-A773 HydrophobicContact CG-CB 4.35Å; P562-C826 HydrophobicContact CB-CB 4.09Å; P562-C826 HydrophobicContact CG-CB 3.68Å; P562-L829 HydrophobicContact CB-CD2 4.12Å; P562-L829 HydrophobicContact CG-CD2 4.16Å
563	L	98.6	Very high	96.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	111.1	176.1	-169.9	85.1	0	0	0	110	V546 G547 I549 T565 L570 V571 M770	V546-L563 WeakPolarHBondContact CA-O 3.48Å; G547-L563 PolarHBondContact N-O 2.98Å; G547-L563 PolarHBondContact O-N 3.28Å; I549-L563 HydrophobicContact CD1-CB 3.7Å; I549-L563 HydrophobicContact CD1-CD1 4.12Å; I549-L563 HydrophobicContact CD1-CD2 3.85Å; I549-L563 HydrophobicContact CD1-CG 4.08Å; I549-L563 HydrophobicContact CG1-CB 4.36Å; L563-T565 HydrophobicContact CD2-CG2 4.1Å; L563-L570 HydrophobicContact CD2-CB 4.39Å; L563-L570 HydrophobicContact CD2-CD2 3.6Å; L563-L570 HydrophobicContact CD2-CG 3.74Å; L563-V571 HydrophobicContact CB-CG2 4.46Å; L563-V571 HydrophobicContact CD2-CG2 3.85Å; L563-M770 HydrophobicContact CD1-CG 3.88Å
564	A	98.6	Very high	96.5	Very high	9 Å²	9	38.7 Å²	38.7	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.6	173.9	0	0	0	0	0	109.8	I544 P545 V546 G769 A772 A773	I544-A564 HydrophobicContact CB-CB 4.39Å; I544-A564 HydrophobicContact CG2-CB 3.96Å; P545-A564 CarbonylContact O-C 3.54Å; P545-A564 VanDerWaalsContact O-CA 3.28Å; P545-A564 WeakPolarHBondContact O-CA 3.45Å; V546-A564 HydrophobicContact CG2-CB 4.17Å; A564-G769 PolarHBondContact N-O 3.45Å; A564-G769 WeakPolarHBondContact O-CA 3.36Å; A564-A772 HydrophobicContact CB-CB 3.83Å; A564-A773 HydrophobicContact CB-CB 4.09Å
565	T	97.5	Very high	96.5	Very high	27 Å²	27	41 Å²	41	17%	0.166	25%	0.248	C	C	.	.			trans	-158.3	151.6	179.7	-172	0	0	0	0	112.2	P545 L563 E567 L570 V571	P545-T565 PolarHBondContact O-N 2.98Å; L563-T565 HydrophobicContact CD2-CG2 4.1Å; T565-E567 WeakPolarHBondContact OG1-CB 3.22Å; T565-E567 PolarHBondContact OG1-N 3.31Å; T565-L570 HydrophobicContact CG2-CB 4.41Å; T565-L570 HydrophobicContact CG2-CD2 4.37Å; T565-V571 HydrophobicContact CG2-CG2 4.09Å
566	T	95.4	Very high	96.6	Very high	128 Å²	128	41 Å²	41	79%	0.785	24%	0.244	S	C	*	.	S	Bend	trans	-97	-1.7	167.2	54.8	0	0	0	0	112.2	I544	I544-T566 HydrophobicContact CG2-CG2 4.46Å
567	E	92.2	Very high	96.7	Very high	57 Å²	57	37.7 Å²	37.7	27%	0.266	21%	0.209	S	C	.	.			trans	-86.4	116.1	-179.8	-170	-176.5	168.8	0	0	111.5	T565 C569 L570 N765 H869	T565-E567 WeakPolarHBondContact OG1-CB 3.22Å; T565-E567 PolarHBondContact OG1-N 3.31Å; E567-C569 VanDerWaalsContact C-N 3.31Å; E567-C569 PolarHBondContact O-N 2.92Å; E567-L570 HydrophobicContact CB-CB 4.13Å; E567-L570 HydrophobicContact CG-CB 4.22Å; E567-L570 PolarHBondContact O-N 2.82Å; E567-N765 PolarHBondContact OE2-ND2 3.42Å; E567-H869 IonicContact OE1-CE1 2.72Å; E567-H869 PolarHBondContact OE1-CE1 3.08Å
568	G	87.5	Confident	96.8	Very high	39 Å²	39	31.5 Å²	31.5	40%	0.402	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.8	-170.8	0	0	0	0	0	116.3
569	C	92	Very high	96.8	Very high	12 Å²	12	34.9 Å²	34.9	8%	0.081	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-15.7	-176.2	-163.4	0	0	0	0	113.8	E567 V571 A572 S573 F872	E567-C569 VanDerWaalsContact C-N 3.31Å; E567-C569 PolarHBondContact O-N 2.92Å; C569-V571 PolarHBondContact O-N 3.39Å; C569-A572 PolarHBondContact O-N 3.43Å; C569-S573 WeakPolarHBondContact O-CB 3.45Å; C569-S573 PolarHBondContact O-N 3.05Å; C569-F872 HydrophobicContact CB-CB 4.32Å; C569-F872 HydrophobicContact CB-CD2 4.08Å; C569-F872 HydrophobicContact CB-CG 4.45Å; C569-F872 VanDerWaalsContact SG-CD2 3.59Å
570	L	95.9	Very high	96.8	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-43.7	-167.9	-173.1	63	0	0	0	113	L563 T565 E567 T574 N765 I766	L563-L570 HydrophobicContact CD2-CB 4.39Å; L563-L570 HydrophobicContact CD2-CD2 3.6Å; L563-L570 HydrophobicContact CD2-CG 3.74Å; T565-L570 HydrophobicContact CG2-CB 4.41Å; T565-L570 HydrophobicContact CG2-CD2 4.37Å; E567-L570 HydrophobicContact CB-CB 4.13Å; E567-L570 HydrophobicContact CG-CB 4.22Å; E567-L570 PolarHBondContact O-N 2.82Å; L570-T574 WeakPolarHBondContact O-CB 3.42Å; L570-T574 PolarHBondContact O-N 3Å; L570-T574 PolarHBondContact O-OG1 3.34Å; L570-N765 HydrophobicContact CD1-CB 4.03Å; L570-N765 HydrophobicContact CD2-CB 4Å; L570-I766 HydrophobicContact CD1-CD1 3.83Å; L570-I766 HydrophobicContact CG-CD1 4.19Å
571	V	97.9	Very high	96.8	Very high	30 Å²	30	29.7 Å²	29.7	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-44.4	178.1	176.2	0	0	0	0	111.1	K548 I549 L563 T565 C569 T574 N575	K548-V571 WeakPolarHBondContact O-CG1 3.28Å; I549-V571 HydrophobicContact CG1-CG1 4.22Å; L563-V571 HydrophobicContact CB-CG2 4.46Å; L563-V571 HydrophobicContact CD2-CG2 3.85Å; T565-V571 HydrophobicContact CG2-CG2 4.09Å; C569-V571 PolarHBondContact O-N 3.39Å; V571-T574 PolarHBondContact O-N 3.34Å; V571-N575 WeakPolarHBondContact O-CB 3.45Å; V571-N575 PolarHBondContact O-N 2.88Å; V571-N575 PolarHBondContact O-ND2 3.11Å; V571-N575 VanDerWaalsContact O-ND2 3.13Å
572	A	96	Very high	96.8	Very high	39 Å²	39	33.3 Å²	33.3	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-64.4	-44.4	178.4	0	0	0	0	0	111.5	C569 N575 R576 F872	C569-A572 PolarHBondContact O-N 3.43Å; A572-N575 PolarHBondContact O-N 3.43Å; A572-R576 PolarHBondContact O-N 2.98Å; A572-R576 VanDerWaalsContact O-N 3.09Å; A572-F872 HydrophobicContact CB-CE1 4.29Å; A572-F872 HydrophobicContact CB-CE2 4.22Å; A572-F872 HydrophobicContact CB-CZ 3.88Å
573	S	96.4	Very high	96.8	Very high	22 Å²	22	36.4 Å²	36.4	15%	0.154	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-48.3	175.7	-178.5	0	0	0	0	111.3	C569 N575 R576 G577 S855	C569-S573 WeakPolarHBondContact O-CB 3.45Å; C569-S573 PolarHBondContact O-N 3.05Å; S573-N575 VanDerWaalsContact C-N 3.34Å; S573-N575 PolarHBondContact O-N 3.22Å; S573-R576 WeakPolarHBondContact O-CB 3.07Å; S573-R576 PolarHBondContact O-N 3.37Å; S573-G577 PolarHBondContact O-N 2.77Å; S573-S855 WeakPolarHBondContact O-CB 3.33Å; S573-S855 PolarHBondContact O-OG 3.24Å; S573-S855 PolarHBondContact OG-OG 3.48Å; S573-S855 VanDerWaalsContact OG-OG 3.14Å
574	T	98.5	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-36.6	-179.7	-47.3	0	0	0	0	111.7	I549 L570 V571 R576 G577 C578 I766 T848 A851 A852	I549-T574 HydrophobicContact CD1-CG2 3.73Å; I549-T574 HydrophobicContact CG1-CG2 4.29Å; I549-T574 HydrophobicContact CG2-CG2 3.82Å; L570-T574 WeakPolarHBondContact O-CB 3.42Å; L570-T574 PolarHBondContact O-N 3Å; L570-T574 PolarHBondContact O-OG1 3.34Å; V571-T574 PolarHBondContact O-N 3.34Å; T574-R576 VanDerWaalsContact C-N 3.32Å; T574-R576 PolarHBondContact O-N 3.3Å; T574-G577 WeakPolarHBondContact O-CA 3.38Å; T574-G577 PolarHBondContact O-N 2.95Å; T574-G577 VanDerWaalsContact O-N 3.11Å; T574-C578 PolarHBondContact O-N 3.09Å; T574-C578 PolarHBondContact O-SG 2.89Å; T574-I766 HydrophobicContact CG2-CD1 4.47Å; T574-I766 WeakPolarHBondContact OG1-CD1 3.39Å; T574-T848 HydrophobicContact CG2-CG2 3.96Å; T574-A851 HydrophobicContact CG2-CB 4.27Å; T574-A852 HydrophobicContact CG2-CB 4.01Å
575	N	98.5	Very high	96.7	Very high	50 Å²	50	40 Å²	40	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-38.5	173.4	-86.4	-41.7	0	0	0	113.1	K548 I549 G550 V571 A572 S573 G577 C578 R579	K548-N575 PolarHBondContact O-ND2 3.41Å; K548-N575 VanDerWaalsContact O-ND2 3.13Å; I549-N575 WeakPolarHBondContact CA-OD1 3.48Å; G550-N575 PolarHBondContact N-OD1 2.92Å; V571-N575 WeakPolarHBondContact O-CB 3.45Å; V571-N575 PolarHBondContact O-N 2.88Å; V571-N575 PolarHBondContact O-ND2 3.11Å; V571-N575 VanDerWaalsContact O-ND2 3.13Å; A572-N575 PolarHBondContact O-N 3.43Å; S573-N575 VanDerWaalsContact C-N 3.34Å; S573-N575 PolarHBondContact O-N 3.22Å; N575-G577 VanDerWaalsContact C-N 3.31Å; N575-G577 PolarHBondContact O-N 3.44Å; N575-C578 PolarHBondContact O-N 3.34Å; N575-R579 WeakPolarHBondContact O-CB 3.4Å; N575-R579 PolarHBondContact O-N 2.95Å
576	R	98.1	Very high	96.7	Very high	59 Å²	59	39.2 Å²	39.2	22%	0.223	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-41.8	173.2	-174.1	177.8	69.3	136.3	-6.2	111.5	A572 S573 T574 R579 A580 V728 L729 S855	A572-R576 PolarHBondContact O-N 2.98Å; A572-R576 VanDerWaalsContact O-N 3.09Å; S573-R576 WeakPolarHBondContact O-CB 3.07Å; S573-R576 PolarHBondContact O-N 3.37Å; T574-R576 VanDerWaalsContact C-N 3.32Å; T574-R576 PolarHBondContact O-N 3.3Å; R576-R579 WeakPolarHBondContact O-CB 3.39Å; R576-R579 PolarHBondContact O-N 3.24Å; R576-A580 PolarHBondContact O-N 3.36Å; R576-A580 VanDerWaalsContact O-N 3.08Å; R576-V728 HydrophobicContact CG-CG1 4.07Å; R576-L729 HydrophobicContact CG-CD2 4.26Å; R576-S855 PolarHBondContact NE-OG 2.97Å; R576-S855 PolarHBondContact NH2-O 2.95Å; R576-S855 PolarHBondContact NH2-OG 3.04Å; R576-S855 VanDerWaalsContact NH2-OG 3.14Å
577	G	98.4	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-49.6	172.6	0	0	0	0	0	113	S573 T574 N575 R579 A580 I581 A851	S573-G577 PolarHBondContact O-N 2.77Å; T574-G577 WeakPolarHBondContact O-CA 3.38Å; T574-G577 PolarHBondContact O-N 2.95Å; T574-G577 VanDerWaalsContact O-N 3.11Å; N575-G577 VanDerWaalsContact C-N 3.31Å; N575-G577 PolarHBondContact O-N 3.44Å; G577-R579 PolarHBondContact O-N 3.13Å; G577-A580 PolarHBondContact O-N 3.48Å; G577-A580 VanDerWaalsContact O-N 3.16Å; G577-I581 PolarHBondContact O-N 3.21Å; G577-A851 VanDerWaalsContact CA-O 3.3Å; G577-A851 WeakPolarHBondContact CA-O 3.41Å
578	C	98.7	Very high	97.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-38.7	175.9	-68.2	0	0	0	0	111.6	I549 T574 N575 I581 F582	I549-C578 VanDerWaalsContact CG2-SG 3.52Å; T574-C578 PolarHBondContact O-N 3.09Å; T574-C578 PolarHBondContact O-SG 2.89Å; N575-C578 PolarHBondContact O-N 3.34Å; C578-I581 PolarHBondContact O-N 3.07Å; C578-F582 WeakPolarHBondContact O-CB 3.2Å; C578-F582 PolarHBondContact O-N 2.81Å
579	R	98.6	Very high	97.7	Very high	143 Å²	143	36.9 Å²	36.9	54%	0.54	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-45.7	176.6	178.8	58.9	175.9	-176.7	1.8	112.1	N575 R576 G577 F582 L583 V728	N575-R579 WeakPolarHBondContact O-CB 3.4Å; N575-R579 PolarHBondContact O-N 2.95Å; R576-R579 WeakPolarHBondContact O-CB 3.39Å; R576-R579 PolarHBondContact O-N 3.24Å; G577-R579 PolarHBondContact O-N 3.13Å; R579-F582 PolarHBondContact O-N 2.9Å; R579-L583 HydrophobicContact CG-CD1 4.42Å; R579-L583 WeakPolarHBondContact O-CG 3.46Å; R579-L583 PolarHBondContact O-N 3.48Å; R579-L583 VanDerWaalsContact O-N 3.1Å; R579-V728 HydrophobicContact CB-CG1 4.42Å; R579-V728 HydrophobicContact CG-CG1 4.19Å
580	A	98.6	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-50.1	177	0	0	0	0	0	110.7	R576 G577 F582 L583 A584 L720 V724 V728 L729	R576-A580 PolarHBondContact O-N 3.36Å; R576-A580 VanDerWaalsContact O-N 3.08Å; G577-A580 PolarHBondContact O-N 3.48Å; G577-A580 VanDerWaalsContact O-N 3.16Å; A580-F582 PolarHBondContact O-N 2.83Å; A580-L583 PolarHBondContact O-N 3.24Å; A580-A584 VanDerWaalsContact O-CB 3.29Å; A580-A584 WeakPolarHBondContact O-CB 3.29Å; A580-A584 PolarHBondContact O-N 2.84Å; A580-L720 HydrophobicContact CB-CD2 3.97Å; A580-V724 HydrophobicContact CB-CG1 4.04Å; A580-V724 WeakPolarHBondContact O-CG1 3.39Å; A580-V728 HydrophobicContact CB-CB 4.24Å; A580-V728 HydrophobicContact CB-CG1 3.93Å; A580-L729 HydrophobicContact CB-CD1 4.22Å; A580-L729 HydrophobicContact CB-CD2 4.15Å; A580-L729 HydrophobicContact CB-CG 4.05Å
581	I	98.6	Very high	98.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-43.3	177.4	-76.2	158.7	0	0	0	112.2	G577 C578 L583 A584 G585 G586 I587 A718 A851 L854	G577-I581 PolarHBondContact O-N 3.21Å; C578-I581 PolarHBondContact O-N 3.07Å; I581-L583 PolarHBondContact O-N 2.81Å; I581-A584 CarbonylContact O-C 3.55Å; I581-A584 WeakPolarHBondContact O-CB 3.14Å; I581-A584 PolarHBondContact O-N 2.74Å; I581-A584 VanDerWaalsContact O-N 3.17Å; I581-G585 PolarHBondContact O-N 2.8Å; I581-G586 WeakPolarHBondContact O-CA 3.46Å; I581-G586 PolarHBondContact O-N 3.24Å; I581-I587 HydrophobicContact CD1-CD1 4.07Å; I581-I587 HydrophobicContact CD1-CG1 4.4Å; I581-I587 HydrophobicContact CG2-CD1 4.11Å; I581-I587 HydrophobicContact CG2-CG1 3.51Å; I581-A718 HydrophobicContact CG1-CB 4.22Å; I581-A851 VanDerWaalsContact CD1-CA 3.44Å; I581-A851 HydrophobicContact CD1-CB 3.53Å; I581-L854 HydrophobicContact CD1-CD1 4.01Å; I581-L854 HydrophobicContact CG1-CD1 4.05Å
582	F	98.5	Very high	98.1	Very high	76 Å²	76	44 Å²	44	33%	0.333	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-44.8	-179.5	-172.4	-82	0	0	0	111.4	P551 L553 C578 R579 A580 A584 G585	P551-F582 HydrophobicContact CG-CD2 4.15Å; P551-F582 HydrophobicContact CG-CE2 4.13Å; L553-F582 HydrophobicContact CB-CD2 3.81Å; L553-F582 HydrophobicContact CB-CE2 4.28Å; L553-F582 HydrophobicContact CD2-CD2 4.42Å; L553-F582 HydrophobicContact CD2-CE2 4.49Å; C578-F582 WeakPolarHBondContact O-CB 3.2Å; C578-F582 PolarHBondContact O-N 2.81Å; R579-F582 PolarHBondContact O-N 2.9Å; A580-F582 PolarHBondContact O-N 2.83Å; F582-A584 PolarHBondContact O-N 2.78Å; F582-G585 PolarHBondContact O-N 3.3Å
583	L	98.1	Very high	98.2	Very high	68 Å²	68	46 Å²	46	36%	0.356	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-25.8	176.4	-69	178.5	0	0	0	112.7	R579 A580 I581 G585 V724 V728	R579-L583 HydrophobicContact CG-CD1 4.42Å; R579-L583 WeakPolarHBondContact O-CG 3.46Å; R579-L583 PolarHBondContact O-N 3.48Å; R579-L583 VanDerWaalsContact O-N 3.1Å; A580-L583 PolarHBondContact O-N 3.24Å; I581-L583 PolarHBondContact O-N 2.81Å; L583-G585 VanDerWaalsContact C-N 3.3Å; L583-V724 HydrophobicContact CB-CG1 4.32Å; L583-V724 HydrophobicContact CB-CG2 3.91Å; L583-V728 HydrophobicContact CD1-CG2 3.81Å
584	A	97.3	Very high	98.3	Very high	26 Å²	26	45.7 Å²	45.7	22%	0.215	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2	176.2	0	0	0	0	0	114.2	A580 I581 F582 H719 L720	A580-A584 VanDerWaalsContact O-CB 3.29Å; A580-A584 WeakPolarHBondContact O-CB 3.29Å; A580-A584 PolarHBondContact O-N 2.84Å; I581-A584 CarbonylContact O-C 3.55Å; I581-A584 WeakPolarHBondContact O-CB 3.14Å; I581-A584 PolarHBondContact O-N 2.74Å; I581-A584 VanDerWaalsContact O-N 3.17Å; F582-A584 PolarHBondContact O-N 2.78Å; A584-H719 WeakPolarHBondContact CB-O 3.22Å; A584-L720 HydrophobicContact CB-CB 4.35Å; A584-L720 HydrophobicContact CB-CG 4.05Å
585	G	97.4	Very high	98.2	Very high	59 Å²	59	46.8 Å²	46.8	61%	0.608	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.4	3.8	179.1	0	0	0	0	0	115.3	I581 F582 L583	I581-G585 PolarHBondContact O-N 2.8Å; F582-G585 PolarHBondContact O-N 3.3Å; L583-G585 VanDerWaalsContact C-N 3.3Å
586	G	98.3	Very high	98.2	Very high	11 Å²	11	44.4 Å²	44.4	11%	0.113	22%	0.224	C	C	.	.			trans	96.4	-170.9	172.5	0	0	0	0	0	115.1	L553 I581	L553-G586 CarbonylContact O-C 3.59Å; L553-G586 WeakPolarHBondContact O-CA 3.47Å; I581-G586 WeakPolarHBondContact O-CA 3.46Å; I581-G586 PolarHBondContact O-N 3.24Å
587	I	98.8	Very high	98.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.4	-178.6	-59.5	-177.6	0	0	0	109.7	L552 L553 L554 D555 I581 A716 E717 A718 G847 L850	L552-I587 HydrophobicContact CD1-CD1 3.76Å; L552-I587 HydrophobicContact CG-CD1 4.47Å; L553-I587 PolarHBondContact O-N 3.31Å; L554-I587 HydrophobicContact CD1-CB 3.77Å; L554-I587 HydrophobicContact CD1-CG2 3.56Å; D555-I587 PolarHBondContact N-O 3.02Å; I581-I587 HydrophobicContact CD1-CD1 4.07Å; I581-I587 HydrophobicContact CD1-CG1 4.4Å; I581-I587 HydrophobicContact CG2-CD1 4.11Å; I581-I587 HydrophobicContact CG2-CG1 3.51Å; I587-A716 HydrophobicContact CG2-CB 3.8Å; I587-E717 CarbonylContact C-O 3.24Å; I587-E717 VanDerWaalsContact CA-O 3.3Å; I587-E717 WeakPolarHBondContact CA-O 3.43Å; I587-E717 WeakPolarHBondContact CG2-O 3.41Å; I587-A718 HydrophobicContact CG1-CB 4.34Å; I587-G847 WeakPolarHBondContact CD1-O 3.43Å; I587-L850 HydrophobicContact CD1-CB 4.48Å; I587-L850 HydrophobicContact CD1-CD2 4.06Å; I587-L850 HydrophobicContact CG1-CD2 4.32Å
588	K	98.8	Very high	98.2	Very high	150 Å²	150	42.2 Å²	42.2	65%	0.652	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.8	160.5	-64.6	179	-175.6	170.4	0	109.3	D555 A716 E717	D555-K588 WeakPolarHBondContact OD1-CA 3.38Å; K588-A716 WeakPolarHBondContact O-CA 3.44Å; K588-E717 PolarHBondContact N-O 3.02Å; K588-E717 PolarHBondContact O-N 2.89Å
589	S	98.6	Very high	98.1	Very high	21 Å²	21	42.2 Å²	42.2	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.6	-179	70.9	0	0	0	0	113.7	L554 D555 I715 R843	L554-S589 WeakPolarHBondContact CD1-OG 3.36Å; D555-S589 PolarHBondContact OD1-N 2.99Å; D555-S589 PolarHBondContact OD1-OG 2.87Å; D555-S589 PolarHBondContact OD2-OG 2.87Å; S589-I715 CarbonylContact C-O 3.49Å; S589-I715 WeakPolarHBondContact CA-O 3.24Å; S589-I715 WeakPolarHBondContact CB-O 3.41Å; S589-R843 WeakPolarHBondContact OG-CB 3.18Å; S589-R843 WeakPolarHBondContact OG-CD 3.38Å; S589-R843 WeakPolarHBondContact OG-CG 3.42Å
590	V	98.5	Very high	98.1	Very high	76 Å²	76	35.4 Å²	35.4	46%	0.461	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.7	-179.5	64.5	0	0	0	0	110.8	V714 I715	V590-V714 WeakPolarHBondContact O-CA 3.03Å; V590-I715 HydrophobicContact CG1-CB 4.08Å; V590-I715 PolarHBondContact N-O 2.91Å; V590-I715 PolarHBondContact O-N 2.91Å
591	V	98.5	Very high	98.1	Very high	29 Å²	29	36 Å²	36	18%	0.176	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	112.7	165.6	-175.2	0	0	0	0	107.3	R593 K712 S713 V714 E839 R843	V591-R593 WeakPolarHBondContact CG1-O 3.39Å; V591-K712 HydrophobicContact CG1-CB 4.49Å; V591-S713 CarbonylContact C-O 3.57Å; V591-S713 WeakPolarHBondContact CA-O 3.46Å; V591-V714 HydrophobicContact CG2-CG2 4.07Å; V591-E839 HydrophobicContact CG1-CG 4.35Å; V591-E839 HydrophobicContact CG2-CB 3.89Å; V591-E839 HydrophobicContact CG2-CG 4.2Å; V591-R843 HydrophobicContact CG2-CG 3.85Å
592	Y	97.6	Very high	98.1	Very high	89 Å²	89	36 Å²	36	35%	0.349	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-10.4	-177	69.3	-90.4	0	0	0	113.2	S713 I715 T805	Y592-S713 VanDerWaalsContact CD1-O 3.24Å; Y592-S713 WeakPolarHBondContact CD1-O 3.35Å; Y592-S713 VanDerWaalsContact CE1-C 3.46Å; Y592-S713 PolarHBondContact N-O 2.82Å; Y592-I715 HydrophobicContact CD1-CD1 3.87Å; Y592-I715 HydrophobicContact CD1-CG1 3.81Å; Y592-I715 HydrophobicContact CE1-CD1 4.12Å; Y592-I715 HydrophobicContact CE1-CG1 3.82Å; Y592-T805 HydrophobicContact CE1-CG2 4.16Å
593	R	97.6	Very high	98.1	Very high	82 Å²	82	35.2 Å²	35.2	31%	0.309	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	143	173.5	-163.2	-179.1	-70.9	149.2	-6.9	110.4	V591 Q595 I707 L708 S713	V591-R593 WeakPolarHBondContact CG1-O 3.39Å; R593-Q595 HydrophobicContact CG-CG 4.05Å; R593-I707 PolarHBondContact NH1-O 3.37Å; R593-L708 WeakPolarHBondContact CD-O 3.43Å; R593-L708 PolarHBondContact NE-O 3.15Å; R593-L708 PolarHBondContact NH1-O 3.09Å; R593-S713 PolarHBondContact N-O 3.43Å; R593-S713 PolarHBondContact O-N 3.33Å
594	D	97.8	Very high	98.1	Very high	15 Å²	15	32 Å²	32	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	99.8	176.9	174.8	9.1	0	0	0	109.1	L640 R658 K712	D594-L640 WeakPolarHBondContact O-CD1 3.34Å; D594-R658 WeakPolarHBondContact OD2-CG 3.37Å; D594-R658 IonicContact OD2-CZ 3.48Å; D594-R658 IonicContact OD2-NE 3.14Å; D594-R658 PolarHBondContact OD2-NE 3.03Å; D594-R658 IonicContact OD2-NH2 2.72Å; D594-K712 HydrophobicContact CB-CD 4.13Å; D594-K712 WeakPolarHBondContact OD1-CD 3.35Å; D594-K712 WeakPolarHBondContact OD1-CE 3.47Å; D594-K712 IonicContact OD1-NZ 3.43Å; D594-K712 PolarHBondContact OD1-NZ 2.86Å; D594-K712 IonicContact OD2-NZ 3.81Å; D594-K712 PolarHBondContact OD2-NZ 3.08Å
595	Q	97.5	Very high	98.1	Very high	24 Å²	24	33.6 Å²	33.6	11%	0.112	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	117.4	180	62.9	-173.9	25	0	0	112.8	R593 T597 L640 A656 A657 L708 R710 G711	R593-Q595 HydrophobicContact CG-CG 4.05Å; Q595-T597 HydrophobicContact CG-CG2 4.42Å; Q595-L640 HydrophobicContact CB-CD1 3.9Å; Q595-A656 HydrophobicContact CB-CB 4.2Å; Q595-A656 HydrophobicContact CG-CB 4.37Å; Q595-A657 CarbonylContact C-O 3.54Å; Q595-A657 WeakPolarHBondContact CA-O 3.18Å; Q595-L708 PolarHBondContact NE2-O 2.86Å; Q595-R710 CarbonylContact O-C 3.27Å; Q595-G711 PolarHBondContact N-O 3.37Å; Q595-G711 PolarHBondContact O-N 3.47Å
596	M	98	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	151.2	166.3	-176.1	49.3	64.9	0	0	110.3	A656 A657 T659 M663 M665 V668 R710 E810	M596-A656 WeakPolarHBondContact O-CA 3.34Å; M596-A657 PolarHBondContact N-O 2.74Å; M596-A657 PolarHBondContact O-N 3.38Å; M596-T659 HydrophobicContact CB-CG2 3.9Å; M596-M663 WeakPolarHBondContact CB-O 3.32Å; M596-M663 HydrophobicContact CE-CG 3.82Å; M596-M663 VanDerWaalsContact CE-O 3.28Å; M596-M663 WeakPolarHBondContact CE-O 3.19Å; M596-M663 HydrophobicContact CE-SD 3.69Å; M596-M663 WeakPolarHBondContact CG-O 3.36Å; M596-M663 HydrophobicContact SD-SD 4.47Å; M596-M665 HydrophobicContact CE-CG 4.33Å; M596-M665 HydrophobicContact CG-CG 4.25Å; M596-M665 HydrophobicContact SD-CG 3.65Å; M596-V668 HydrophobicContact CB-CG2 3.99Å; M596-V668 HydrophobicContact CG-CB 4.49Å; M596-V668 HydrophobicContact CG-CG2 3.92Å; M596-R710 HydrophobicContact SD-CG 4.35Å; M596-E810 HydrophobicContact CE-CB 4.21Å; M596-E810 HydrophobicContact CE-CG 3.99Å
597	T	97.8	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144	-161.3	73.1	0	0	0	0	112.8	Q595 R654 F655 A656 R710	Q595-T597 HydrophobicContact CG-CG2 4.42Å; T597-R654 PolarHBondContact OG1-NH2 3.19Å; T597-R654 VanDerWaalsContact OG1-NH2 3.1Å; T597-F655 VanDerWaalsContact CA-O 3.24Å; T597-F655 WeakPolarHBondContact CA-O 3.48Å; T597-F655 WeakPolarHBondContact CB-O 3.46Å; T597-A656 HydrophobicContact CG2-CB 4.01Å; T597-R710 HydrophobicContact CG2-CG 4.4Å; T597-R710 WeakPolarHBondContact OG1-CD 3.1Å; T597-R710 PolarHBondContact OG1-NE 2.93Å
598	R	98.2	Very high	97.8	Very high	13 Å²	13	41.7 Å²	41.7	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	135.5	171.1	-172.6	54.9	49.5	-160.6	-4.9	108.7	F655 M665 V668 S669 T672 L691 S692 C696	R598-F655 PolarHBondContact N-O 2.95Å; R598-F655 PolarHBondContact O-N 3.46Å; R598-M665 PolarHBondContact NH2-SD 3.12Å; R598-V668 HydrophobicContact CB-CG1 3.61Å; R598-S669 PolarHBondContact NE-OG 3.18Å; R598-T672 HydrophobicContact CG-CG2 4.32Å; R598-L691 WeakPolarHBondContact CD-O 3.22Å; R598-L691 WeakPolarHBondContact CG-O 3.42Å; R598-S692 PolarHBondContact NH1-OG 2.88Å; R598-S692 VanDerWaalsContact NH1-OG 3.14Å; R598-C696 PolarHBondContact NH1-SG 3.07Å; R598-C696 VanDerWaalsContact NH1-SG 3.37Å
599	A	97.9	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.			trans	-129.3	86.3	-174.8	0	0	0	0	0	111.5	I653 R654 G693 M695 C696	A599-I653 CarbonylContact C-O 3.56Å; A599-I653 VanDerWaalsContact CA-O 3.22Å; A599-I653 WeakPolarHBondContact CA-O 3.4Å; A599-R654 HydrophobicContact CB-CB 3.94Å; A599-R654 HydrophobicContact CB-CG 4.06Å; A599-G693 WeakPolarHBondContact O-CA 3.48Å; A599-G693 PolarHBondContact O-N 3.17Å; A599-M695 HydrophobicContact CB-CB 3.64Å; A599-C696 HydrophobicContact CB-CB 3.66Å; A599-C696 VanDerWaalsContact CB-N 3.35Å; A599-C696 PolarHBondContact N-SG 2.66Å
600	P	98.5	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.			trans	-59.5	158.4	170.9	24.7	-38.7	0	0	0	112.6	H652 I653 F655 T672 L676 S690 L691	P600-H652 CarbonylContact O-C 3.46Å; P600-H652 WeakPolarHBondContact O-CA 3.19Å; P600-I653 WeakPolarHBondContact CD-O 3.33Å; P600-I653 HydrophobicContact CG-CB 4.34Å; P600-I653 PolarHBondContact O-N 3.43Å; P600-F655 HydrophobicContact CG-CD2 4.13Å; P600-F655 HydrophobicContact CG-CE2 3.82Å; P600-T672 VanDerWaalsContact CD-CG2 3.48Å; P600-T672 HydrophobicContact CG-CG2 3.61Å; P600-L676 HydrophobicContact CB-CD1 3.75Å; P600-L676 HydrophobicContact CB-CD2 4.26Å; P600-L676 HydrophobicContact CG-CD1 3.98Å; P600-L676 HydrophobicContact CG-CD2 3.96Å; P600-L676 HydrophobicContact CG-CG 4.28Å; P600-S690 CarbonylContact C-O 3.3Å; P600-S690 WeakPolarHBondContact CA-O 3.36Å; P600-S690 WeakPolarHBondContact CB-O 3.4Å; P600-L691 WeakPolarHBondContact CA-O 3.1Å
601	V	98.5	Very high	97.5	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.7	165.8	53.6	0	0	0	0	109.1	Y650 I651 I689 S690	V601-Y650 HydrophobicContact CG2-CD1 3.93Å; V601-Y650 HydrophobicContact CG2-CG 4.38Å; V601-I651 WeakPolarHBondContact CA-O 3.11Å; V601-I689 HydrophobicContact CG1-CB 4.1Å; V601-I689 HydrophobicContact CG1-CG2 4.26Å; V601-I689 WeakPolarHBondContact O-CB 3.11Å; V601-I689 PolarHBondContact O-N 3.33Å; V601-S690 PolarHBondContact N-O 3.36Å; V601-S690 PolarHBondContact O-N 2.91Å
602	V	98.6	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	156.6	176.1	-58.1	0	0	0	0	109.8	F604 Y650 I651 I653 L676 M686 Q687 V688	V602-F604 HydrophobicContact CG2-CE2 3.86Å; V602-Y650 CarbonylContact O-C 3.6Å; V602-Y650 WeakPolarHBondContact O-CA 3.14Å; V602-I651 HydrophobicContact CG2-CB 3.79Å; V602-I651 HydrophobicContact CG2-CD1 4.28Å; V602-I651 HydrophobicContact CG2-CG1 4.29Å; V602-I651 PolarHBondContact N-O 3.43Å; V602-I651 PolarHBondContact O-N 2.87Å; V602-I653 HydrophobicContact CG1-CD1 4.29Å; V602-I653 HydrophobicContact CG2-CD1 3.77Å; V602-I653 HydrophobicContact CG2-CG1 4.4Å; V602-L676 HydrophobicContact CG1-CD2 3.9Å; V602-M686 HydrophobicContact CB-CG 3.82Å; V602-M686 HydrophobicContact CB-SD 3.95Å; V602-M686 HydrophobicContact CG1-CE 4.39Å; V602-M686 HydrophobicContact CG1-CG 4.22Å; V602-M686 HydrophobicContact CG1-SD 3.81Å; V602-M686 HydrophobicContact CG2-CG 4.21Å; V602-M686 HydrophobicContact CG2-SD 4.09Å; V602-Q687 CarbonylContact C-O 3.51Å; V602-Q687 WeakPolarHBondContact CA-O 3.07Å; V602-Q687 WeakPolarHBondContact CB-O 3.5Å; V602-V688 HydrophobicContact CG1-CG2 4.27Å
603	W	98.5	Very high	97.4	Very high	60 Å²	60	36 Å²	36	23%	0.227	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.7	179.7	177.2	89.9	0	0	0	111.1	P605 R649 Y650 Q687 I689	W603-P605 HydrophobicContact CH2-CB 4.09Å; W603-P605 HydrophobicContact CH2-CG 3.97Å; W603-P605 HydrophobicContact CZ3-CB 4.38Å; W603-P605 HydrophobicContact CZ3-CG 3.77Å; W603-R649 WeakPolarHBondContact CA-O 3.12Å; W603-Y650 HydrophobicContact CB-CD1 3.88Å; W603-Y650 HydrophobicContact CB-CE1 3.92Å; W603-Y650 AromaticContact CD1-CD1 3.78Å; W603-Y650 AromaticContact CD1-CE1 3.45Å; W603-Y650 VanDerWaalsContact CD1-CE1 3.45Å; W603-Y650 AromaticContact CD1-CZ 3.59Å; W603-Y650 HydrophobicContact CG-CD1 4.25Å; W603-Y650 HydrophobicContact CG-CE1 4.01Å; W603-Q687 HydrophobicContact CE3-CB 4.24Å; W603-Q687 PolarHBondContact N-O 2.8Å; W603-Q687 PolarHBondContact O-N 2.84Å; W603-I689 HydrophobicContact CB-CD1 3.77Å; W603-I689 HydrophobicContact CB-CG1 3.61Å
604	F	98.4	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	-127.7	147.2	176.2	-71.8	-97.4	0	0	0	111.8	V602 S606 D609 S610 C613 R649 I651 F683 M686	V602-F604 HydrophobicContact CG2-CE2 3.86Å; F604-S606 PolarHBondContact O-N 3.45Å; F604-D609 HydrophobicContact CB-CB 4.45Å; F604-D609 HydrophobicContact CD1-CB 3.65Å; F604-D609 HydrophobicContact CE1-CB 4.28Å; F604-D609 HydrophobicContact CG-CB 4.35Å; F604-S610 WeakPolarHBondContact CB-OG 3.38Å; F604-C613 HydrophobicContact CE1-CB 4.23Å; F604-C613 HydrophobicContact CE2-CB 4.13Å; F604-C613 HydrophobicContact CZ-CB 3.6Å; F604-R649 PolarHBondContact N-O 2.89Å; F604-R649 WeakPolarHBondContact O-CB 3.43Å; F604-R649 WeakPolarHBondContact O-CD 3.39Å; F604-I651 HydrophobicContact CD2-CD1 4Å; F604-I651 HydrophobicContact CD2-CG1 4.38Å; F604-I651 HydrophobicContact CE2-CD1 3.5Å; F604-I651 VanDerWaalsContact CE2-CD1 3.5Å; F604-I651 HydrophobicContact CE2-CG1 4.25Å; F604-I651 HydrophobicContact CZ-CD1 4.36Å; F604-F683 HydrophobicContact CE1-CB 3.88Å; F604-F683 HydrophobicContact CE1-CD1 4.07Å; F604-F683 HydrophobicContact CE1-CG 4.19Å; F604-F683 HydrophobicContact CZ-CB 4.17Å; F604-F683 HydrophobicContact CZ-CG 4.38Å; F604-M686 HydrophobicContact CD1-CB 4.48Å; F604-M686 HydrophobicContact CE1-CB 3.8Å; F604-M686 HydrophobicContact CE1-CG 4.22Å; F604-M686 HydrophobicContact CE2-CB 4.33Å; F604-M686 HydrophobicContact CE2-CG 3.84Å; F604-M686 HydrophobicContact CE2-SD 4.47Å; F604-M686 HydrophobicContact CZ-CB 3.69Å; F604-M686 HydrophobicContact CZ-CG 3.6Å; F604-M686 HydrophobicContact CZ-SD 4.13Å
605	P	97.2	Very high	97.4	Very high	59 Å²	59	35.5 Å²	35.5	38%	0.383	19%	0.194	S	C	.	.	S	Bend	trans	-60.1	-34.1	171.8	-24.7	33.7	0	0	0	113.5	W603 R649 N685	W603-P605 HydrophobicContact CH2-CB 4.09Å; W603-P605 HydrophobicContact CH2-CG 3.97Å; W603-P605 HydrophobicContact CZ3-CB 4.38Å; W603-P605 HydrophobicContact CZ3-CG 3.77Å; P605-R649 PolarHBondContact O-NH1 2.78Å; P605-N685 VanDerWaalsContact CD-O 3.3Å; P605-N685 WeakPolarHBondContact CD-O 3.39Å; P605-N685 HydrophobicContact CG-CB 4.27Å
606	S	95.4	Very high	97.4	Very high	39 Å²	39	36 Å²	36	27%	0.273	20%	0.195	S	C	.	.			trans	-122.3	136.1	-177.2	-179.9	0	0	0	0	111.6	F604 I608 D609 S610	F604-S606 PolarHBondContact O-N 3.45Å; S606-I608 PolarHBondContact O-N 3.1Å; S606-I608 PolarHBondContact OG-N 3.1Å; S606-D609 PolarHBondContact O-N 3.21Å; S606-D609 VanDerWaalsContact O-N 3.15Å; S606-S610 PolarHBondContact O-N 3.32Å; S606-S610 PolarHBondContact O-OG 3.42Å
607	I	96.7	Very high	97.5	Very high	97 Å²	97	36.1 Å²	36.1	50%	0.497	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-31.8	172.8	-64.4	164.5	0	0	0	110.6	D609 S610 V611 R649	I607-D609 VanDerWaalsContact C-N 3.3Å; I607-D609 PolarHBondContact O-N 3.37Å; I607-S610 WeakPolarHBondContact O-CB 3.34Å; I607-S610 PolarHBondContact O-N 2.89Å; I607-V611 HydrophobicContact CG2-CG2 4.44Å; I607-V611 WeakPolarHBondContact O-CG2 3.13Å; I607-V611 PolarHBondContact O-N 3.41Å; I607-R649 HydrophobicContact CG1-CG 3.86Å
608	I	96.1	Very high	97.5	Very high	109 Å²	109	41.2 Å²	41.2	56%	0.559	22%	0.223	S	C	*	.	H	α-helix	trans	-61.5	-41.9	177.7	-61.6	172.7	0	0	0	110.2	S606 S610 V611 K612	S606-I608 PolarHBondContact O-N 3.1Å; S606-I608 PolarHBondContact OG-N 3.1Å; I608-S610 VanDerWaalsContact C-N 3.34Å; I608-V611 PolarHBondContact O-N 2.87Å; I608-K612 HydrophobicContact CG2-CD 4.31Å; I608-K612 WeakPolarHBondContact O-CG 3.29Å; I608-K612 PolarHBondContact O-N 3.47Å
609	D	95.7	Very high	97.4	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-34.2	178.2	-61.8	-28.2	0	0	0	111.4	F604 S606 I607 V611 K612 C613 N685	F604-D609 HydrophobicContact CB-CB 4.45Å; F604-D609 HydrophobicContact CD1-CB 3.65Å; F604-D609 HydrophobicContact CE1-CB 4.28Å; F604-D609 HydrophobicContact CG-CB 4.35Å; S606-D609 PolarHBondContact O-N 3.21Å; S606-D609 VanDerWaalsContact O-N 3.15Å; I607-D609 VanDerWaalsContact C-N 3.3Å; I607-D609 PolarHBondContact O-N 3.37Å; D609-V611 PolarHBondContact O-N 3.32Å; D609-K612 PolarHBondContact O-N 3.37Å; D609-K612 IonicContact OD1-NZ 3.95Å; D609-C613 WeakPolarHBondContact O-CB 3.43Å; D609-C613 PolarHBondContact O-N 3Å; D609-N685 PolarHBondContact OD2-ND2 3.15Å
610	S	96.2	Very high	97.5	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-46.3	171.8	-49.7	0	0	0	0	111.9	F604 S606 I607 I608 C613 I614 I651	F604-S610 WeakPolarHBondContact CB-OG 3.38Å; S606-S610 PolarHBondContact O-N 3.32Å; S606-S610 PolarHBondContact O-OG 3.42Å; I607-S610 WeakPolarHBondContact O-CB 3.34Å; I607-S610 PolarHBondContact O-N 2.89Å; I608-S610 VanDerWaalsContact C-N 3.34Å; S610-C613 WeakPolarHBondContact O-CB 3.19Å; S610-C613 PolarHBondContact O-N 2.89Å; S610-I614 WeakPolarHBondContact O-CG1 3.34Å; S610-I614 PolarHBondContact O-N 2.9Å; S610-I651 WeakPolarHBondContact O-CD1 3.21Å
611	V	96	Very high	97.4	Very high	85 Å²	85	54.7 Å²	54.7	52%	0.515	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-39.3	179.4	174.7	0	0	0	0	111.5	I607 I608 D609 C613 I614 A615	I607-V611 HydrophobicContact CG2-CG2 4.44Å; I607-V611 WeakPolarHBondContact O-CG2 3.13Å; I607-V611 PolarHBondContact O-N 3.41Å; I608-V611 PolarHBondContact O-N 2.87Å; D609-V611 PolarHBondContact O-N 3.32Å; V611-C613 VanDerWaalsContact C-N 3.3Å; V611-C613 PolarHBondContact O-N 3.13Å; V611-I614 PolarHBondContact O-N 2.7Å; V611-A615 WeakPolarHBondContact O-CB 3.46Å; V611-A615 PolarHBondContact O-N 2.86Å
612	K	97.1	Very high	97.4	Very high	122 Å²	122	54 Å²	54	53%	0.53	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-40.8	172.7	-73.7	173.3	-179.6	172.6	0	111.8	I608 D609 A615 W616 F683	I608-K612 HydrophobicContact CG2-CD 4.31Å; I608-K612 WeakPolarHBondContact O-CG 3.29Å; I608-K612 PolarHBondContact O-N 3.47Å; D609-K612 PolarHBondContact O-N 3.37Å; D609-K612 IonicContact OD1-NZ 3.95Å; K612-A615 PolarHBondContact O-N 3.38Å; K612-W616 WeakPolarHBondContact O-CB 3.36Å; K612-W616 PolarHBondContact O-N 3.49Å; K612-F683 HydrophobicContact CB-CE1 4.13Å
613	C	97.9	Very high	97.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-46.3	175.5	-178.6	0	0	0	0	111.9	F604 D609 S610 V611 W616 I617 I651 F683	F604-C613 HydrophobicContact CE1-CB 4.23Å; F604-C613 HydrophobicContact CE2-CB 4.13Å; F604-C613 HydrophobicContact CZ-CB 3.6Å; D609-C613 WeakPolarHBondContact O-CB 3.43Å; D609-C613 PolarHBondContact O-N 3Å; S610-C613 WeakPolarHBondContact O-CB 3.19Å; S610-C613 PolarHBondContact O-N 2.89Å; V611-C613 VanDerWaalsContact C-N 3.3Å; V611-C613 PolarHBondContact O-N 3.13Å; C613-W616 PolarHBondContact O-N 2.88Å; C613-I617 VanDerWaalsContact O-CG1 3.29Å; C613-I617 WeakPolarHBondContact O-CG1 3.35Å; C613-I617 PolarHBondContact O-N 3.48Å; C613-I651 HydrophobicContact CB-CD1 3.91Å; C613-F683 HydrophobicContact CB-CD1 4.05Å; C613-F683 HydrophobicContact CB-CD2 4.25Å; C613-F683 HydrophobicContact CB-CE1 3.89Å; C613-F683 HydrophobicContact CB-CE2 4.1Å; C613-F683 HydrophobicContact CB-CG 4.24Å; C613-F683 HydrophobicContact CB-CZ 3.94Å
614	I	97.8	Very high	97.4	Very high	23 Å²	23	57.3 Å²	57.3	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-50.8	175.8	-65.4	164.9	0	0	0	110.8	S610 V611 W616 I617 D618 A644 P646 I651	S610-I614 WeakPolarHBondContact O-CG1 3.34Å; S610-I614 PolarHBondContact O-N 2.9Å; V611-I614 PolarHBondContact O-N 2.7Å; I614-W616 PolarHBondContact O-N 3.14Å; I614-I617 PolarHBondContact O-N 2.89Å; I614-I617 VanDerWaalsContact O-N 3.13Å; I614-D618 PolarHBondContact O-N 2.9Å; I614-A644 HydrophobicContact CG1-CB 4.05Å; I614-A644 HydrophobicContact CG2-CB 4.35Å; I614-P646 HydrophobicContact CD1-CB 3.66Å; I614-P646 HydrophobicContact CD1-CG 3.82Å; I614-I651 HydrophobicContact CD1-CD1 4.37Å; I614-I651 HydrophobicContact CD1-CG1 4.36Å; I614-I651 HydrophobicContact CD1-CG2 4.33Å; I614-I651 HydrophobicContact CG1-CD1 3.95Å; I614-I651 HydrophobicContact CG1-CG1 4.39Å; I614-I651 HydrophobicContact CG1-CG2 4.06Å
615	A	97.7	Very high	97.4	Very high	64 Å²	64	58.9 Å²	58.9	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-34.9	179.5	0	0	0	0	0	112.6	V611 K612 S619	V611-A615 WeakPolarHBondContact O-CB 3.46Å; V611-A615 PolarHBondContact O-N 2.86Å; K612-A615 PolarHBondContact O-N 3.38Å; A615-S619 PolarHBondContact O-N 2.76Å
616	W	98.5	Very high	97.5	Very high	35 Å²	35	56.1 Å²	56.1	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-70.5	-45.9	174.2	-175	85.6	0	0	0	111.8	K612 C613 I614 D618 S619 G622 T625 L626 L679 Y682 F683	K612-W616 WeakPolarHBondContact O-CB 3.36Å; K612-W616 PolarHBondContact O-N 3.49Å; C613-W616 PolarHBondContact O-N 2.88Å; I614-W616 PolarHBondContact O-N 3.14Å; W616-D618 VanDerWaalsContact C-N 3.26Å; W616-D618 PolarHBondContact O-N 2.98Å; W616-S619 WeakPolarHBondContact O-CB 3.39Å; W616-S619 PolarHBondContact O-N 2.85Å; W616-S619 PolarHBondContact O-OG 3.47Å; W616-G622 WeakPolarHBondContact O-CA 3.38Å; W616-T625 HydrophobicContact CH2-CG2 4.03Å; W616-T625 HydrophobicContact CZ2-CG2 4.29Å; W616-L626 HydrophobicContact CH2-CG 4.34Å; W616-L626 HydrophobicContact CZ3-CD1 4.14Å; W616-L626 HydrophobicContact CZ3-CD2 4.2Å; W616-L626 HydrophobicContact CZ3-CG 3.92Å; W616-L679 HydrophobicContact CE3-CD1 3.77Å; W616-L679 HydrophobicContact CZ3-CD1 3.53Å; W616-Y682 AromaticContact CH2-CD2 3.84Å; W616-Y682 HydrophobicContact CH2-CD2 3.84Å; W616-Y682 AromaticContact CH2-CE2 3.97Å; W616-Y682 HydrophobicContact CH2-CE2 3.97Å; W616-Y682 HydrophobicContact CH2-CG 4.25Å; W616-Y682 AromaticContact CZ2-CD1 3.95Å; W616-Y682 HydrophobicContact CZ2-CD1 3.95Å; W616-Y682 AromaticContact CZ2-CD2 3.8Å; W616-Y682 HydrophobicContact CZ2-CD2 3.8Å; W616-Y682 AromaticContact CZ2-CE1 3.97Å; W616-Y682 HydrophobicContact CZ2-CE1 3.97Å; W616-Y682 AromaticContact CZ2-CE2 3.82Å; W616-Y682 HydrophobicContact CZ2-CE2 3.82Å; W616-Y682 AromaticContact CZ2-CG 3.86Å; W616-Y682 HydrophobicContact CZ2-CG 3.86Å; W616-Y682 AromaticContact CZ2-CZ 3.91Å; W616-F683 HydrophobicContact CB-CE2 4.01Å; W616-F683 HydrophobicContact CB-CZ 3.82Å; W616-F683 HydrophobicContact CD2-CE2 4.04Å; W616-F683 HydrophobicContact CE3-CE2 4.06Å; W616-F683 HydrophobicContact CG-CE2 4.03Å; W616-F683 HydrophobicContact CG-CZ 4.18Å
617	I	98.3	Very high	97.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-41.3	176.2	-70.1	169.4	0	0	0	111.3	C613 I614 S619 L626 V642 A644 I653 L679	C613-I617 VanDerWaalsContact O-CG1 3.29Å; C613-I617 WeakPolarHBondContact O-CG1 3.35Å; C613-I617 PolarHBondContact O-N 3.48Å; I614-I617 PolarHBondContact O-N 2.89Å; I614-I617 VanDerWaalsContact O-N 3.13Å; I617-S619 VanDerWaalsContact C-N 3.26Å; I617-S619 PolarHBondContact O-N 2.56Å; I617-L626 HydrophobicContact CG1-CD1 4.02Å; I617-L626 HydrophobicContact CG2-CD1 4.35Å; I617-V642 HydrophobicContact CG2-CB 4.07Å; I617-V642 HydrophobicContact CG2-CG1 3.57Å; I617-A644 HydrophobicContact CD1-CB 4.13Å; I617-A644 HydrophobicContact CG2-CB 4.37Å; I617-I653 HydrophobicContact CD1-CD1 3.88Å; I617-I653 HydrophobicContact CD1-CG1 4.31Å; I617-I653 HydrophobicContact CD1-CG2 4.3Å; I617-L679 HydrophobicContact CD1-CD1 4.48Å; I617-L679 HydrophobicContact CD1-CD2 4.22Å; I617-L679 HydrophobicContact CG1-CD1 4.26Å
618	D	97.6	Very high	97.8	Very high	107 Å²	107	54 Å²	54	57%	0.572	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.2	-179.4	-67.7	-19.2	0	0	0	113.2	I614 W616	I614-D618 PolarHBondContact O-N 2.9Å; W616-D618 VanDerWaalsContact C-N 3.26Å; W616-D618 PolarHBondContact O-N 2.98Å
619	S	98.1	Very high	97.9	Very high	38 Å²	38	49.5 Å²	49.5	27%	0.266	26%	0.264	S	S	.	.	S	Bend	trans	-76.8	151.9	174.1	78.1	0	0	0	0	111.3	A615 W616 I617 E621 G622 F623	A615-S619 PolarHBondContact O-N 2.76Å; W616-S619 WeakPolarHBondContact O-CB 3.39Å; W616-S619 PolarHBondContact O-N 2.85Å; W616-S619 PolarHBondContact O-OG 3.47Å; I617-S619 VanDerWaalsContact C-N 3.26Å; I617-S619 PolarHBondContact O-N 2.56Å; S619-E621 VanDerWaalsContact C-N 3.27Å; S619-E621 PolarHBondContact O-N 3.47Å; S619-G622 PolarHBondContact O-N 3.34Å; S619-G622 PolarHBondContact OG-N 3.14Å; S619-F623 WeakPolarHBondContact O-CB 3.22Å; S619-F623 PolarHBondContact O-N 2.87Å
620	E	98.1	Very high	98	Very high	130 Å²	130	47.8 Å²	47.8	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-57.5	-42.3	176.2	-173.1	61.7	-148.8	0	0	111.5	Q624	E620-Q624 HydrophobicContact CG-CG 4.35Å; E620-Q624 WeakPolarHBondContact O-CB 3.46Å; E620-Q624 WeakPolarHBondContact O-CG 3.49Å; E620-Q624 PolarHBondContact O-N 3.03Å; E620-Q624 VanDerWaalsContact OE1-CG 3.27Å; E620-Q624 WeakPolarHBondContact OE1-CG 3.36Å; E620-Q624 PolarHBondContact OE1-NE2 2.89Å
621	E	98.1	Very high	98.1	Very high	127 Å²	127	49.6 Å²	49.6	59%	0.593	26%	0.264	S	S	*	.	H	α-helix	trans	-60.4	-49.2	177.5	-175.6	-169.6	155.2	0	0	111.7	S619 T625	S619-E621 VanDerWaalsContact C-N 3.27Å; S619-E621 PolarHBondContact O-N 3.47Å; E621-T625 VanDerWaalsContact O-CB 3.27Å; E621-T625 WeakPolarHBondContact O-CB 3.42Å; E621-T625 PolarHBondContact O-N 3.13Å; E621-T625 PolarHBondContact O-OG1 2.95Å
622	G	98.2	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-44	-178.8	0	0	0	0	0	112.4	W616 S619 T625 L626	W616-G622 WeakPolarHBondContact O-CA 3.38Å; S619-G622 PolarHBondContact O-N 3.34Å; S619-G622 PolarHBondContact OG-N 3.14Å; G622-T625 PolarHBondContact O-N 3.13Å; G622-L626 WeakPolarHBondContact O-CB 3.45Å; G622-L626 WeakPolarHBondContact O-CG 3.1Å; G622-L626 PolarHBondContact O-N 2.87Å
623	F	98.7	Very high	98.2	Very high	43 Å²	43	49 Å²	49	19%	0.189	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-49.5	175.2	179	-100.1	0	0	0	111.8	S619 T625 L626 K627 L639 V642	S619-F623 WeakPolarHBondContact O-CB 3.22Å; S619-F623 PolarHBondContact O-N 2.87Å; F623-T625 VanDerWaalsContact C-N 3.32Å; F623-T625 PolarHBondContact O-N 2.99Å; F623-L626 PolarHBondContact O-N 2.81Å; F623-K627 HydrophobicContact CE1-CD 3.96Å; F623-K627 HydrophobicContact CZ-CD 4.33Å; F623-K627 VanDerWaalsContact O-CB 3.22Å; F623-K627 WeakPolarHBondContact O-CB 3.04Å; F623-K627 PolarHBondContact O-N 2.93Å; F623-L639 HydrophobicContact CE2-CD2 4.37Å; F623-V642 HydrophobicContact CD2-CB 4.5Å; F623-V642 HydrophobicContact CD2-CG2 4.11Å; F623-V642 HydrophobicContact CE2-CG2 4.09Å
624	Q	98.6	Very high	98.2	Very high	85 Å²	85	50.5 Å²	50.5	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-36.2	-179.8	-67.9	-60.3	-19.7	0	0	112.4	E620 K627 S628	E620-Q624 HydrophobicContact CG-CG 4.35Å; E620-Q624 WeakPolarHBondContact O-CB 3.46Å; E620-Q624 WeakPolarHBondContact O-CG 3.49Å; E620-Q624 PolarHBondContact O-N 3.03Å; E620-Q624 VanDerWaalsContact OE1-CG 3.27Å; E620-Q624 WeakPolarHBondContact OE1-CG 3.36Å; E620-Q624 PolarHBondContact OE1-NE2 2.89Å; Q624-K627 PolarHBondContact O-N 2.82Å; Q624-S628 WeakPolarHBondContact O-CB 3.38Å; Q624-S628 PolarHBondContact O-N 3.14Å
625	T	98.6	Very high	98	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-48	175.5	-60.5	0	0	0	0	111.3	W616 E621 G622 F623 S628 A629 Y682	W616-T625 HydrophobicContact CH2-CG2 4.03Å; W616-T625 HydrophobicContact CZ2-CG2 4.29Å; E621-T625 VanDerWaalsContact O-CB 3.27Å; E621-T625 WeakPolarHBondContact O-CB 3.42Å; E621-T625 PolarHBondContact O-N 3.13Å; E621-T625 PolarHBondContact O-OG1 2.95Å; G622-T625 PolarHBondContact O-N 3.13Å; F623-T625 VanDerWaalsContact C-N 3.32Å; F623-T625 PolarHBondContact O-N 2.99Å; T625-S628 PolarHBondContact O-N 2.84Å; T625-A629 PolarHBondContact O-N 3.36Å; T625-A629 VanDerWaalsContact O-N 3.11Å; T625-Y682 HydrophobicContact CG2-CE2 3.8Å
626	L	98.6	Very high	97.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-42.5	176.4	-69.5	178.7	0	0	0	111.7	W616 I617 G622 F623 S628 A629 F630 A675 L679	W616-L626 HydrophobicContact CH2-CG 4.34Å; W616-L626 HydrophobicContact CZ3-CD1 4.14Å; W616-L626 HydrophobicContact CZ3-CD2 4.2Å; W616-L626 HydrophobicContact CZ3-CG 3.92Å; I617-L626 HydrophobicContact CG1-CD1 4.02Å; I617-L626 HydrophobicContact CG2-CD1 4.35Å; G622-L626 WeakPolarHBondContact O-CB 3.45Å; G622-L626 WeakPolarHBondContact O-CG 3.1Å; G622-L626 PolarHBondContact O-N 2.87Å; F623-L626 PolarHBondContact O-N 2.81Å; L626-S628 VanDerWaalsContact C-N 3.35Å; L626-S628 PolarHBondContact O-N 2.72Å; L626-A629 PolarHBondContact O-N 2.98Å; L626-F630 WeakPolarHBondContact O-CB 3.35Å; L626-F630 PolarHBondContact O-N 3.09Å; L626-A675 HydrophobicContact CD2-CB 4.29Å; L626-A675 WeakPolarHBondContact CD2-O 3.37Å; L626-L679 HydrophobicContact CD2-CB 4.09Å; L626-L679 HydrophobicContact CD2-CD1 4.42Å
627	K	98.7	Very high	97.8	Very high	39 Å²	39	56.3 Å²	56.3	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-47.2	174.8	178.7	168.6	-179.1	56.1	0	111.6	F623 Q624 A629 F630 D631 N638 L639	F623-K627 HydrophobicContact CE1-CD 3.96Å; F623-K627 HydrophobicContact CZ-CD 4.33Å; F623-K627 VanDerWaalsContact O-CB 3.22Å; F623-K627 WeakPolarHBondContact O-CB 3.04Å; F623-K627 PolarHBondContact O-N 2.93Å; Q624-K627 PolarHBondContact O-N 2.82Å; K627-A629 VanDerWaalsContact C-N 3.35Å; K627-A629 PolarHBondContact O-N 2.8Å; K627-F630 PolarHBondContact O-N 2.88Å; K627-D631 WeakPolarHBondContact CE-OD2 3.33Å; K627-D631 WeakPolarHBondContact CG-OD2 3.41Å; K627-D631 IonicContact NZ-OD2 2.82Å; K627-D631 PolarHBondContact NZ-OD2 2.84Å; K627-D631 WeakPolarHBondContact O-CB 3.44Å; K627-D631 PolarHBondContact O-N 3.01Å; K627-N638 PolarHBondContact NZ-OD1 2.87Å; K627-L639 HydrophobicContact CB-CD2 4.03Å; K627-L639 HydrophobicContact CG-CB 4.24Å; K627-L639 PolarHBondContact NZ-O 3.1Å
628	S	98.5	Very high	97.8	Very high	53 Å²	53	59.7 Å²	59.7	37%	0.371	32%	0.321	S	S	.	.	H	α-helix	trans	-59.6	-44.3	177.1	-170	0	0	0	0	112	Q624 T625 L626 K632	Q624-S628 WeakPolarHBondContact O-CB 3.38Å; Q624-S628 PolarHBondContact O-N 3.14Å; T625-S628 PolarHBondContact O-N 2.84Å; L626-S628 VanDerWaalsContact C-N 3.35Å; L626-S628 PolarHBondContact O-N 2.72Å; S628-K632 WeakPolarHBondContact O-CB 3.36Å; S628-K632 VanDerWaalsContact O-CD 3.23Å; S628-K632 WeakPolarHBondContact O-CD 3.48Å; S628-K632 WeakPolarHBondContact O-CG 3.3Å; S628-K632 PolarHBondContact O-N 3.1Å; S628-K632 VanDerWaalsContact OG-CE 3.32Å; S628-K632 WeakPolarHBondContact OG-CE 3.47Å; S628-K632 PolarHBondContact OG-NZ 3.46Å
629	A	98.5	Very high	97.9	Very high	15 Å²	15	54.8 Å²	54.8	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-41.5	176.9	0	0	0	0	0	112.3	T625 L626 K627 S674 C678	T625-A629 PolarHBondContact O-N 3.36Å; T625-A629 VanDerWaalsContact O-N 3.11Å; L626-A629 PolarHBondContact O-N 2.98Å; K627-A629 VanDerWaalsContact C-N 3.35Å; K627-A629 PolarHBondContact O-N 2.8Å; A629-S674 PolarHBondContact O-OG 3.5Å; A629-C678 HydrophobicContact CB-CB 3.66Å
630	F	98.6	Very high	97.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-53.1	-179	-168	-78.6	0	0	0	111.8	L626 K627 K632 T633 V637 L639 F655 A657 V668 A671 A675	L626-F630 WeakPolarHBondContact O-CB 3.35Å; L626-F630 PolarHBondContact O-N 3.09Å; K627-F630 PolarHBondContact O-N 2.88Å; F630-K632 VanDerWaalsContact C-N 3.31Å; F630-K632 PolarHBondContact O-N 3.23Å; F630-T633 WeakPolarHBondContact O-CB 3.39Å; F630-T633 WeakPolarHBondContact O-CG2 3.43Å; F630-T633 PolarHBondContact O-N 2.72Å; F630-T633 PolarHBondContact O-OG1 3.47Å; F630-V637 HydrophobicContact CD1-CG1 3.76Å; F630-V637 HydrophobicContact CE1-CB 4.37Å; F630-V637 HydrophobicContact CE1-CG1 3.73Å; F630-V637 HydrophobicContact CE1-CG2 3.71Å; F630-V637 HydrophobicContact CZ-CG2 4.47Å; F630-L639 HydrophobicContact CB-CB 4.36Å; F630-L639 HydrophobicContact CB-CD2 4.12Å; F630-L639 HydrophobicContact CD1-CB 3.74Å; F630-L639 HydrophobicContact CD1-CD1 4.21Å; F630-L639 HydrophobicContact CD1-CG 4.43Å; F630-L639 HydrophobicContact CD2-CD1 4.06Å; F630-L639 HydrophobicContact CD2-CD2 4.47Å; F630-L639 HydrophobicContact CE1-CB 4.2Å; F630-L639 HydrophobicContact CE1-CD1 4.17Å; F630-L639 HydrophobicContact CE2-CD1 4.01Å; F630-L639 HydrophobicContact CG-CB 4.08Å; F630-L639 HydrophobicContact CG-CD1 4.16Å; F630-L639 HydrophobicContact CG-CD2 4.21Å; F630-L639 HydrophobicContact CG-CG 4.39Å; F630-L639 HydrophobicContact CZ-CD1 4.07Å; F630-F655 AromaticContact CD2-CD1 3.96Å; F630-F655 HydrophobicContact CD2-CD1 3.96Å; F630-F655 HydrophobicContact CE2-CB 4.09Å; F630-F655 HydrophobicContact CE2-CD1 4.01Å; F630-F655 HydrophobicContact CE2-CG 4.27Å; F630-A657 HydrophobicContact CE1-CB 3.52Å; F630-A657 HydrophobicContact CZ-CB 3.72Å; F630-V668 HydrophobicContact CZ-CG1 4.11Å; F630-A671 HydrophobicContact CD1-CB 3.55Å; F630-A671 VanDerWaalsContact CD2-C 3.41Å; F630-A671 HydrophobicContact CD2-CB 3.65Å; F630-A671 WeakPolarHBondContact CD2-O 3.38Å; F630-A671 HydrophobicContact CE1-CB 3.4Å; F630-A671 HydrophobicContact CE2-CB 3.51Å; F630-A671 HydrophobicContact CG-CB 3.67Å; F630-A671 HydrophobicContact CZ-CB 3.38Å; F630-A675 HydrophobicContact CB-CB 4.39Å; F630-A675 HydrophobicContact CD2-CB 4.14Å
631	D	98.4	Very high	97.9	Very high	39 Å²	39	52.6 Å²	52.6	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-71.4	-24.7	-174	-66.8	-7	0	0	0	112.4	K627 T633 S634 N638 L639	K627-D631 WeakPolarHBondContact CE-OD2 3.33Å; K627-D631 WeakPolarHBondContact CG-OD2 3.41Å; K627-D631 IonicContact NZ-OD2 2.82Å; K627-D631 PolarHBondContact NZ-OD2 2.84Å; K627-D631 WeakPolarHBondContact O-CB 3.44Å; K627-D631 PolarHBondContact O-N 3.01Å; D631-T633 PolarHBondContact O-N 3.21Å; D631-T633 VanDerWaalsContact O-N 3.09Å; D631-S634 PolarHBondContact O-N 2.81Å; D631-S634 VanDerWaalsContact O-O 3.11Å; D631-N638 WeakPolarHBondContact OD1-CA 3.47Å; D631-L639 PolarHBondContact OD1-N 2.68Å
632	K	98	Very high	97.9	Very high	165 Å²	165	47.3 Å²	47.3	72%	0.717	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.5	172.9	-83	170.4	-171.9	167.9	0	113.8	S628 F630	S628-K632 WeakPolarHBondContact O-CB 3.36Å; S628-K632 VanDerWaalsContact O-CD 3.23Å; S628-K632 WeakPolarHBondContact O-CD 3.48Å; S628-K632 WeakPolarHBondContact O-CG 3.3Å; S628-K632 PolarHBondContact O-N 3.1Å; S628-K632 VanDerWaalsContact OG-CE 3.32Å; S628-K632 WeakPolarHBondContact OG-CE 3.47Å; S628-K632 PolarHBondContact OG-NZ 3.46Å; F630-K632 VanDerWaalsContact C-N 3.31Å; F630-K632 PolarHBondContact O-N 3.23Å
633	T	97.7	Very high	97.8	Very high	29 Å²	29	52.3 Å²	52.3	18%	0.178	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-22.8	-176.5	64.4	0	0	0	0	114.4	F630 D631 A671	F630-T633 WeakPolarHBondContact O-CB 3.39Å; F630-T633 WeakPolarHBondContact O-CG2 3.43Å; F630-T633 PolarHBondContact O-N 2.72Å; F630-T633 PolarHBondContact O-OG1 3.47Å; D631-T633 PolarHBondContact O-N 3.21Å; D631-T633 VanDerWaalsContact O-N 3.09Å; T633-A671 HydrophobicContact CG2-CB 4.4Å; T633-A671 VanDerWaalsContact OG1-CB 3.26Å; T633-A671 WeakPolarHBondContact OG1-CB 3.13Å
634	S	96.3	Very high	97.7	Very high	32 Å²	32	50.7 Å²	50.7	22%	0.224	28%	0.281	C	S	.	.			trans	-165.8	139.2	178.1	-176.1	0	0	0	0	111.5	D631 H636 V637	D631-S634 PolarHBondContact O-N 2.81Å; D631-S634 VanDerWaalsContact O-O 3.11Å; S634-H636 PolarHBondContact O-N 2.92Å; S634-H636 PolarHBondContact OG-N 2.89Å; S634-V637 PolarHBondContact O-N 2.79Å
635	A	95.3	Very high	97.6	Very high	106 Å²	106	47.9 Å²	47.9	88%	0.876	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.3	171.3	0	0	0	0	0	114
636	H	94.4	Very high	97.5	Very high	131 Å²	131	50.3 Å²	50.3	61%	0.606	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	0.7	179.9	-59.4	-61.3	0	0	0	113.4	S634 T659 M667	S634-H636 PolarHBondContact O-N 2.92Å; S634-H636 PolarHBondContact OG-N 2.89Å; H636-T659 CarbonylContact O-C 3.57Å; H636-T659 VanDerWaalsContact O-C 3.3Å; H636-T659 VanDerWaalsContact O-CA 3.28Å; H636-T659 WeakPolarHBondContact O-CA 3.36Å; H636-M667 HydrophobicContact CB-CE 3.76Å; H636-M667 HydrophobicContact CB-SD 3.95Å
637	V	97	Very high	97.4	Very high	8 Å²	8	52.7 Å²	52.7	5%	0.048	31%	0.306	C	S	.	.			trans	-109.9	139.2	176.9	101.4	0	0	0	0	109.9	F630 S634 A657 R658 T659 M667 V668 A671	F630-V637 HydrophobicContact CD1-CG1 3.76Å; F630-V637 HydrophobicContact CE1-CB 4.37Å; F630-V637 HydrophobicContact CE1-CG1 3.73Å; F630-V637 HydrophobicContact CE1-CG2 3.71Å; F630-V637 HydrophobicContact CZ-CG2 4.47Å; S634-V637 PolarHBondContact O-N 2.79Å; V637-A657 HydrophobicContact CG2-CB 4.13Å; V637-R658 WeakPolarHBondContact CA-O 3.38Å; V637-T659 HydrophobicContact CG2-CG2 4.2Å; V637-M667 HydrophobicContact CB-CG 4.04Å; V637-M667 HydrophobicContact CB-SD 3.68Å; V637-M667 HydrophobicContact CG2-CG 3.88Å; V637-M667 HydrophobicContact CG2-SD 3.75Å; V637-V668 HydrophobicContact CG2-CG2 4.38Å; V637-A671 HydrophobicContact CG1-CB 4.32Å
638	N	98.1	Very high	97.2	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	109.4	174.7	176.6	21	0	0	0	109.3	K627 D631 L640 A657 R658	K627-N638 PolarHBondContact NZ-OD1 2.87Å; D631-N638 WeakPolarHBondContact OD1-CA 3.47Å; N638-L640 PolarHBondContact O-N 3.37Å; N638-A657 CarbonylContact O-C 3.58Å; N638-A657 WeakPolarHBondContact O-CA 3.38Å; N638-A657 WeakPolarHBondContact O-CB 3.39Å; N638-R658 HydrophobicContact CB-CB 4.42Å; N638-R658 PolarHBondContact N-O 2.79Å; N638-R658 PolarHBondContact O-N 3.05Å
639	L	98.7	Very high	97.1	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.2	178	-172.9	65.8	0	0	0	110.7	F623 K627 F630 D631 V642 F655 A657	F623-L639 HydrophobicContact CE2-CD2 4.37Å; K627-L639 HydrophobicContact CB-CD2 4.03Å; K627-L639 HydrophobicContact CG-CB 4.24Å; K627-L639 PolarHBondContact NZ-O 3.1Å; F630-L639 HydrophobicContact CB-CB 4.36Å; F630-L639 HydrophobicContact CB-CD2 4.12Å; F630-L639 HydrophobicContact CD1-CB 3.74Å; F630-L639 HydrophobicContact CD1-CD1 4.21Å; F630-L639 HydrophobicContact CD1-CG 4.43Å; F630-L639 HydrophobicContact CD2-CD1 4.06Å; F630-L639 HydrophobicContact CD2-CD2 4.47Å; F630-L639 HydrophobicContact CE1-CB 4.2Å; F630-L639 HydrophobicContact CE1-CD1 4.17Å; F630-L639 HydrophobicContact CE2-CD1 4.01Å; F630-L639 HydrophobicContact CG-CB 4.08Å; F630-L639 HydrophobicContact CG-CD1 4.16Å; F630-L639 HydrophobicContact CG-CD2 4.21Å; F630-L639 HydrophobicContact CG-CG 4.39Å; F630-L639 HydrophobicContact CZ-CD1 4.07Å; D631-L639 PolarHBondContact OD1-N 2.68Å; L639-V642 HydrophobicContact CD1-CG2 4.22Å; L639-V642 HydrophobicContact CD2-CG2 3.73Å; L639-V642 HydrophobicContact CG-CG2 4.29Å; L639-F655 HydrophobicContact CD1-CB 4.14Å; L639-F655 HydrophobicContact CD1-CD1 3.85Å; L639-F655 HydrophobicContact CD1-CG 4.5Å; L639-F655 HydrophobicContact CD2-CD1 4.35Å; L639-A657 HydrophobicContact CD1-CB 4.47Å
640	L	98.2	Very high	97.1	Very high	75 Å²	75	61 Å²	61	39%	0.393	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-41.1	-177.8	-58.9	176.3	0	0	0	112.1	D594 Q595 N638 A656 R658	D594-L640 WeakPolarHBondContact O-CD1 3.34Å; Q595-L640 HydrophobicContact CB-CD1 3.9Å; N638-L640 PolarHBondContact O-N 3.37Å; L640-A656 WeakPolarHBondContact CB-O 3.29Å; L640-A656 PolarHBondContact N-O 3.24Å; L640-R658 HydrophobicContact CD1-CB 4.25Å
641	S	98.1	Very high	97.1	Very high	48 Å²	48	61 Å²	61	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.5	179.4	57.5	0	0	0	0	112.2	A656	S641-A656 PolarHBondContact N-O 2.93Å; S641-A656 VanDerWaalsContact N-O 3.17Å; S641-A656 PolarHBondContact O-N 3.13Å
642	V	98.3	Very high	97.1	Very high	16 Å²	16	61.2 Å²	61.2	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.5	170.6	-174	0	0	0	0	107	I617 F623 L639 I653 R654 F655	I617-V642 HydrophobicContact CG2-CB 4.07Å; I617-V642 HydrophobicContact CG2-CG1 3.57Å; F623-V642 HydrophobicContact CD2-CB 4.5Å; F623-V642 HydrophobicContact CD2-CG2 4.11Å; F623-V642 HydrophobicContact CE2-CG2 4.09Å; L639-V642 HydrophobicContact CD1-CG2 4.22Å; L639-V642 HydrophobicContact CD2-CG2 3.73Å; L639-V642 HydrophobicContact CG-CG2 4.29Å; V642-I653 HydrophobicContact CG1-CG2 3.38Å; V642-R654 WeakPolarHBondContact CA-O 3.49Å; V642-F655 HydrophobicContact CG1-CD1 4.26Å; V642-F655 HydrophobicContact CG1-CE1 4.01Å; V642-F655 HydrophobicContact CG1-CZ 4.14Å; V642-F655 HydrophobicContact CG2-CD1 3.69Å; V642-F655 HydrophobicContact CG2-CE1 3.78Å
643	F	96.3	Very high	97.1	Very high	104 Å²	104	53.4 Å²	53.4	46%	0.456	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	105.3	-179	-178.1	-119.1	0	0	0	110.2	C645 R654	F643-C645 VanDerWaalsContact CD1-SG 3.57Å; F643-C645 WeakPolarHBondContact CE1-SG 3.44Å; F643-R654 HydrophobicContact CB-CB 4.31Å; F643-R654 PolarHBondContact N-O 3.2Å; F643-R654 PolarHBondContact O-N 3.3Å
644	A	97.5	Very high	97.1	Very high	10 Å²	10	52.2 Å²	52.2	8%	0.083	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.1	-175.8	0	0	0	0	0	111.8	I614 I617 I651 I653	I614-A644 HydrophobicContact CG1-CB 4.05Å; I614-A644 HydrophobicContact CG2-CB 4.35Å; I617-A644 HydrophobicContact CD1-CB 4.13Å; I617-A644 HydrophobicContact CG2-CB 4.37Å; A644-I651 HydrophobicContact CB-CG2 3.87Å; A644-I653 HydrophobicContact CB-CG1 4.4Å
645	C	96.3	Very high	97.2	Very high	26 Å²	26	50.7 Å²	50.7	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.9	-179.1	-73.2	0	0	0	0	111.6	F643 I651 H652 M695	F643-C645 VanDerWaalsContact CD1-SG 3.57Å; F643-C645 WeakPolarHBondContact CE1-SG 3.44Å; C645-I651 WeakPolarHBondContact O-CA 3.15Å; C645-H652 HydrophobicContact CB-CB 4.37Å; C645-H652 PolarHBondContact N-O 2.85Å; C645-H652 PolarHBondContact O-N 2.93Å; C645-M695 HydrophobicContact CB-CE 4.14Å
646	P	96.2	Very high	97.4	Very high	85 Å²	85	45.7 Å²	45.7	55%	0.552	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.7	176	27.6	-30.2	0	0	0	112.6	I614 Y650	I614-P646 HydrophobicContact CD1-CB 3.66Å; I614-P646 HydrophobicContact CD1-CG 3.82Å; P646-Y650 CarbonylContact C-O 3.51Å; P646-Y650 WeakPolarHBondContact CA-O 3.4Å
647	A	95.7	Very high	97.6	Very high	50 Å²	50	39.5 Å²	39.5	41%	0.413	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	86.5	167.8	0	0	0	0	0	109.1	R649 Y650	A647-R649 PolarHBondContact O-N 3.29Å; A647-Y650 PolarHBondContact N-O 2.8Å; A647-Y650 WeakPolarHBondContact O-CB 3.35Å; A647-Y650 WeakPolarHBondContact O-CD2 3.32Å; A647-Y650 PolarHBondContact O-N 3.08Å
648	G	94.9	Very high	97.6	Very high	53 Å²	53	42.6 Å²	42.6	55%	0.546	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-118.8	-172.1	0	0	0	0	0	111.3	Y650	G648-Y650 VanDerWaalsContact C-N 3.3Å
649	R	97.1	Very high	97.6	Very high	122 Å²	122	39.3 Å²	39.3	46%	0.46	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.7	176.1	-68.8	-174.3	-161.3	-173.1	7.7	113.9	W603 F604 P605 I607 A647	W603-R649 WeakPolarHBondContact CA-O 3.12Å; F604-R649 PolarHBondContact N-O 2.89Å; F604-R649 WeakPolarHBondContact O-CB 3.43Å; F604-R649 WeakPolarHBondContact O-CD 3.39Å; P605-R649 PolarHBondContact O-NH1 2.78Å; I607-R649 HydrophobicContact CG1-CG 3.86Å; A647-R649 PolarHBondContact O-N 3.29Å
650	Y	98.2	Very high	97.4	Very high	105 Å²	105	40.7 Å²	40.7	41%	0.412	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	149.1	178.5	-58.7	-85.8	0	0	0	110.7	V601 V602 W603 P646 A647 G648 I689	V601-Y650 HydrophobicContact CG2-CD1 3.93Å; V601-Y650 HydrophobicContact CG2-CG 4.38Å; V602-Y650 CarbonylContact O-C 3.6Å; V602-Y650 WeakPolarHBondContact O-CA 3.14Å; W603-Y650 HydrophobicContact CB-CD1 3.88Å; W603-Y650 HydrophobicContact CB-CE1 3.92Å; W603-Y650 AromaticContact CD1-CD1 3.78Å; W603-Y650 AromaticContact CD1-CE1 3.45Å; W603-Y650 VanDerWaalsContact CD1-CE1 3.45Å; W603-Y650 AromaticContact CD1-CZ 3.59Å; W603-Y650 HydrophobicContact CG-CD1 4.25Å; W603-Y650 HydrophobicContact CG-CE1 4.01Å; P646-Y650 CarbonylContact C-O 3.51Å; P646-Y650 WeakPolarHBondContact CA-O 3.4Å; A647-Y650 PolarHBondContact N-O 2.8Å; A647-Y650 WeakPolarHBondContact O-CB 3.35Å; A647-Y650 WeakPolarHBondContact O-CD2 3.32Å; A647-Y650 PolarHBondContact O-N 3.08Å; G648-Y650 VanDerWaalsContact C-N 3.3Å; Y650-I689 HydrophobicContact CD1-CG1 4.29Å; Y650-I689 HydrophobicContact CE1-CG1 4.07Å
651	I	98.2	Very high	97.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.6	166.5	-46.9	171.5	0	0	0	107.7	V601 V602 F604 S610 C613 I614 A644 C645 I653	V601-I651 WeakPolarHBondContact CA-O 3.11Å; V602-I651 HydrophobicContact CG2-CB 3.79Å; V602-I651 HydrophobicContact CG2-CD1 4.28Å; V602-I651 HydrophobicContact CG2-CG1 4.29Å; V602-I651 PolarHBondContact N-O 3.43Å; V602-I651 PolarHBondContact O-N 2.87Å; F604-I651 HydrophobicContact CD2-CD1 4Å; F604-I651 HydrophobicContact CD2-CG1 4.38Å; F604-I651 HydrophobicContact CE2-CD1 3.5Å; F604-I651 VanDerWaalsContact CE2-CD1 3.5Å; F604-I651 HydrophobicContact CE2-CG1 4.25Å; F604-I651 HydrophobicContact CZ-CD1 4.36Å; S610-I651 WeakPolarHBondContact O-CD1 3.21Å; C613-I651 HydrophobicContact CB-CD1 3.91Å; I614-I651 HydrophobicContact CD1-CD1 4.37Å; I614-I651 HydrophobicContact CD1-CG1 4.36Å; I614-I651 HydrophobicContact CD1-CG2 4.33Å; I614-I651 HydrophobicContact CG1-CD1 3.95Å; I614-I651 HydrophobicContact CG1-CG1 4.39Å; I614-I651 HydrophobicContact CG1-CG2 4.06Å; A644-I651 HydrophobicContact CB-CG2 3.87Å; C645-I651 WeakPolarHBondContact O-CA 3.15Å; I651-I653 HydrophobicContact CB-CG1 4.18Å; I651-I653 HydrophobicContact CG2-CD1 4.39Å; I651-I653 HydrophobicContact CG2-CG1 3.6Å
652	H	98.2	Very high	97.2	Very high	45 Å²	45	38.6 Å²	38.6	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	109	168.1	-64.9	-106.1	0	0	0	108.1	P600 C645 G693 M695	P600-H652 CarbonylContact O-C 3.46Å; P600-H652 WeakPolarHBondContact O-CA 3.19Å; C645-H652 HydrophobicContact CB-CB 4.37Å; C645-H652 PolarHBondContact N-O 2.85Å; C645-H652 PolarHBondContact O-N 2.93Å; H652-G693 PolarHBondContact CE1-O 2.93Å; H652-G693 VanDerWaalsContact CE1-O 3.29Å; H652-G693 PolarHBondContact ND1-O 2.82Å; H652-M695 HydrophobicContact CB-CB 4.18Å; H652-M695 HydrophobicContact CB-CG 3.68Å
653	I	98.4	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	104.8	-173.1	-51.9	170.1	0	0	0	108.1	A599 P600 V602 I617 V642 A644 I651 F655 L679	A599-I653 CarbonylContact C-O 3.56Å; A599-I653 VanDerWaalsContact CA-O 3.22Å; A599-I653 WeakPolarHBondContact CA-O 3.4Å; P600-I653 WeakPolarHBondContact CD-O 3.33Å; P600-I653 HydrophobicContact CG-CB 4.34Å; P600-I653 PolarHBondContact O-N 3.43Å; V602-I653 HydrophobicContact CG1-CD1 4.29Å; V602-I653 HydrophobicContact CG2-CD1 3.77Å; V602-I653 HydrophobicContact CG2-CG1 4.4Å; I617-I653 HydrophobicContact CD1-CD1 3.88Å; I617-I653 HydrophobicContact CD1-CG1 4.31Å; I617-I653 HydrophobicContact CD1-CG2 4.3Å; V642-I653 HydrophobicContact CG1-CG2 3.38Å; A644-I653 HydrophobicContact CB-CG1 4.4Å; I651-I653 HydrophobicContact CB-CG1 4.18Å; I651-I653 HydrophobicContact CG2-CD1 4.39Å; I651-I653 HydrophobicContact CG2-CG1 3.6Å; I653-F655 HydrophobicContact CB-CE2 3.94Å; I653-F655 HydrophobicContact CG2-CD2 4.04Å; I653-F655 HydrophobicContact CG2-CE2 3.37Å; I653-F655 HydrophobicContact CG2-CZ 3.76Å; I653-F655 WeakPolarHBondContact O-CD2 3.01Å; I653-L679 HydrophobicContact CD1-CD2 3.79Å
654	R	98.3	Very high	97	Very high	5 Å²	5	35 Å²	35	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	104.7	-176.1	-174.4	-179.9	-161	-58.1	1.6	110.9	T597 A599 V642 F643 M695 N705	T597-R654 PolarHBondContact OG1-NH2 3.19Å; T597-R654 VanDerWaalsContact OG1-NH2 3.1Å; A599-R654 HydrophobicContact CB-CB 3.94Å; A599-R654 HydrophobicContact CB-CG 4.06Å; V642-R654 WeakPolarHBondContact CA-O 3.49Å; F643-R654 HydrophobicContact CB-CB 4.31Å; F643-R654 PolarHBondContact N-O 3.2Å; F643-R654 PolarHBondContact O-N 3.3Å; R654-M695 WeakPolarHBondContact CD-O 3.28Å; R654-M695 PolarHBondContact NE-O 3.08Å; R654-N705 PolarHBondContact NH2-OD1 3.07Å
655	F	98.6	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.8	172	-63.9	-101	0	0	0	109.8	T597 R598 P600 F630 L639 V642 I653 T672 A675	T597-F655 VanDerWaalsContact CA-O 3.24Å; T597-F655 WeakPolarHBondContact CA-O 3.48Å; T597-F655 WeakPolarHBondContact CB-O 3.46Å; R598-F655 PolarHBondContact N-O 2.95Å; R598-F655 PolarHBondContact O-N 3.46Å; P600-F655 HydrophobicContact CG-CD2 4.13Å; P600-F655 HydrophobicContact CG-CE2 3.82Å; F630-F655 AromaticContact CD2-CD1 3.96Å; F630-F655 HydrophobicContact CD2-CD1 3.96Å; F630-F655 HydrophobicContact CE2-CB 4.09Å; F630-F655 HydrophobicContact CE2-CD1 4.01Å; F630-F655 HydrophobicContact CE2-CG 4.27Å; L639-F655 HydrophobicContact CD1-CB 4.14Å; L639-F655 HydrophobicContact CD1-CD1 3.85Å; L639-F655 HydrophobicContact CD1-CG 4.5Å; L639-F655 HydrophobicContact CD2-CD1 4.35Å; V642-F655 HydrophobicContact CG1-CD1 4.26Å; V642-F655 HydrophobicContact CG1-CE1 4.01Å; V642-F655 HydrophobicContact CG1-CZ 4.14Å; V642-F655 HydrophobicContact CG2-CD1 3.69Å; V642-F655 HydrophobicContact CG2-CE1 3.78Å; I653-F655 HydrophobicContact CB-CE2 3.94Å; I653-F655 HydrophobicContact CG2-CD2 4.04Å; I653-F655 HydrophobicContact CG2-CE2 3.37Å; I653-F655 HydrophobicContact CG2-CZ 3.76Å; I653-F655 WeakPolarHBondContact O-CD2 3.01Å; F655-T672 HydrophobicContact CD2-CG2 3.58Å; F655-T672 HydrophobicContact CE2-CG2 3.78Å; F655-T672 HydrophobicContact CG-CG2 4.2Å; F655-A675 HydrophobicContact CE1-CB 3.8Å; F655-A675 HydrophobicContact CZ-CB 4.09Å
656	A	98.3	Very high	96.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127	173.2	0	0	0	0	0	109.7	Q595 M596 T597 L640 S641	Q595-A656 HydrophobicContact CB-CB 4.2Å; Q595-A656 HydrophobicContact CG-CB 4.37Å; M596-A656 WeakPolarHBondContact O-CA 3.34Å; T597-A656 HydrophobicContact CG2-CB 4.01Å; L640-A656 WeakPolarHBondContact CB-O 3.29Å; L640-A656 PolarHBondContact N-O 3.24Å; S641-A656 PolarHBondContact N-O 2.93Å; S641-A656 VanDerWaalsContact N-O 3.17Å; S641-A656 PolarHBondContact O-N 3.13Å
657	A	98.5	Very high	96.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.2	-173.8	0	0	0	0	0	111.6	Q595 M596 F630 V637 N638 L639 V668	Q595-A657 CarbonylContact C-O 3.54Å; Q595-A657 WeakPolarHBondContact CA-O 3.18Å; M596-A657 PolarHBondContact N-O 2.74Å; M596-A657 PolarHBondContact O-N 3.38Å; F630-A657 HydrophobicContact CE1-CB 3.52Å; F630-A657 HydrophobicContact CZ-CB 3.72Å; V637-A657 HydrophobicContact CG2-CB 4.13Å; N638-A657 CarbonylContact O-C 3.58Å; N638-A657 WeakPolarHBondContact O-CA 3.38Å; N638-A657 WeakPolarHBondContact O-CB 3.39Å; L639-A657 HydrophobicContact CD1-CB 4.47Å; A657-V668 HydrophobicContact CB-CG2 4.28Å
658	R	98	Very high	96.8	Very high	74 Å²	74	36.5 Å²	36.5	28%	0.279	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.8	169.6	-159.7	174	-162.9	173.8	3.3	109.8	D594 V637 N638 L640 E839	D594-R658 WeakPolarHBondContact OD2-CG 3.37Å; D594-R658 IonicContact OD2-CZ 3.48Å; D594-R658 IonicContact OD2-NE 3.14Å; D594-R658 PolarHBondContact OD2-NE 3.03Å; D594-R658 IonicContact OD2-NH2 2.72Å; V637-R658 WeakPolarHBondContact CA-O 3.38Å; N638-R658 HydrophobicContact CB-CB 4.42Å; N638-R658 PolarHBondContact N-O 2.79Å; N638-R658 PolarHBondContact O-N 3.05Å; L640-R658 HydrophobicContact CD1-CB 4.25Å; R658-E839 IonicContact CZ-OE1 3.83Å; R658-E839 IonicContact NH2-OE1 3.24Å; R658-E839 PolarHBondContact NH2-OE1 3.14Å
659	T	97.3	Very high	96.9	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	18%	0.177	C	C	.	.			trans	-125	18.6	-171.7	52.6	0	0	0	0	113.7	M596 H636 V637 D661 A662 M663 V668	M596-T659 HydrophobicContact CB-CG2 3.9Å; H636-T659 CarbonylContact O-C 3.57Å; H636-T659 VanDerWaalsContact O-C 3.3Å; H636-T659 VanDerWaalsContact O-CA 3.28Å; H636-T659 WeakPolarHBondContact O-CA 3.36Å; V637-T659 HydrophobicContact CG2-CG2 4.2Å; T659-D661 PolarHBondContact O-N 3.11Å; T659-A662 PolarHBondContact O-N 3.29Å; T659-A662 PolarHBondContact OG1-O 2.99Å; T659-M663 PolarHBondContact OG1-O 3.14Å; T659-V668 HydrophobicContact CG2-CG2 3.56Å
660	G	94.4	Very high	97	Very high	33 Å²	33	35.7 Å²	35.7	34%	0.34	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-123.4	-176.5	0	0	0	0	0	111.8	K712	G660-K712 PolarHBondContact O-NZ 3.1Å
661	D	96.2	Very high	97	Very high	62 Å²	62	30.7 Å²	30.7	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.6	-176.9	-71.2	-32.7	0	0	0	115.1	T659 G812 T813 V814 P837 T838	T659-D661 PolarHBondContact O-N 3.11Å; D661-G812 CarbonylContact O-C 3.31Å; D661-G812 WeakPolarHBondContact O-CA 3.09Å; D661-T813 PolarHBondContact O-N 2.7Å; D661-V814 HydrophobicContact CB-CG2 4.13Å; D661-V814 WeakPolarHBondContact O-CG2 3.45Å; D661-V814 PolarHBondContact O-N 2.85Å; D661-P837 VanDerWaalsContact CG-CG 3.45Å; D661-P837 WeakPolarHBondContact OD1-CD 3.39Å; D661-P837 WeakPolarHBondContact OD1-CG 3.36Å; D661-P837 WeakPolarHBondContact OD2-CG 3.3Å; D661-T838 WeakPolarHBondContact CA-OG1 3.38Å; D661-T838 PolarHBondContact O-OG1 3.04Å; D661-T838 PolarHBondContact OD1-OG1 3.33Å
662	A	96.5	Very high	97	Very high	17 Å²	17	30.7 Å²	30.7	14%	0.14	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-84.3	146.6	170.7	0	0	0	0	0	109.4	T659 G664 M667 V814	T659-A662 PolarHBondContact O-N 3.29Å; T659-A662 PolarHBondContact OG1-O 2.99Å; A662-G664 PolarHBondContact O-N 3.13Å; A662-M667 HydrophobicContact CB-CE 4.35Å; A662-V814 HydrophobicContact CB-CG2 3.95Å
663	M	96	Very high	97	Very high	34 Å²	34	31.9 Å²	31.9	17%	0.167	17%	0.171	C	C	.	.			trans	-56.9	-40.2	160.7	174.7	-84.5	-93.1	0	0	109.6	M596 T659 M665 E810 V811	M596-M663 WeakPolarHBondContact CB-O 3.32Å; M596-M663 HydrophobicContact CE-CG 3.82Å; M596-M663 VanDerWaalsContact CE-O 3.28Å; M596-M663 WeakPolarHBondContact CE-O 3.19Å; M596-M663 HydrophobicContact CE-SD 3.69Å; M596-M663 WeakPolarHBondContact CG-O 3.36Å; M596-M663 HydrophobicContact SD-SD 4.47Å; T659-M663 PolarHBondContact OG1-O 3.14Å; M663-M665 HydrophobicContact CE-CB 3.94Å; M663-M665 HydrophobicContact CE-CE 3.66Å; M663-M665 HydrophobicContact CE-CG 3.92Å; M663-M665 HydrophobicContact SD-CB 3.58Å; M663-M665 VanDerWaalsContact SD-CB 3.58Å; M663-M665 HydrophobicContact SD-CE 4.44Å; M663-M665 HydrophobicContact SD-CG 3.41Å; M663-M665 WeakPolarHBondContact SD-CG 3.45Å; M663-M665 PolarHBondContact SD-N 3.35Å; M663-M665 VanDerWaalsContact SD-N 3.37Å; M663-E810 HydrophobicContact CG-CB 4.17Å; M663-V811 WeakPolarHBondContact CA-O 3.23Å
664	G	95	Very high	97	Very high	10 Å²	10	34 Å²	34	10%	0.103	19%	0.186	C	C	.	.			trans	88.6	6.3	157.6	0	0	0	0	0	117.1	A662 N666 M667 V668	A662-G664 PolarHBondContact O-N 3.13Å; G664-N666 PolarHBondContact O-N 3.28Å; G664-M667 WeakPolarHBondContact O-CB 3.48Å; G664-M667 PolarHBondContact O-N 2.63Å; G664-M667 VanDerWaalsContact O-N 3.12Å; G664-V668 WeakPolarHBondContact O-CG2 3.41Å; G664-V668 PolarHBondContact O-N 3.13Å
665	M	93.6	Very high	97	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-53	-47.5	-179.8	-92.2	-148.9	-56.1	0	0	114.3	M596 R598 M663 M667 V668 S669 R710	M596-M665 HydrophobicContact CE-CG 4.33Å; M596-M665 HydrophobicContact CG-CG 4.25Å; M596-M665 HydrophobicContact SD-CG 3.65Å; R598-M665 PolarHBondContact NH2-SD 3.12Å; M663-M665 HydrophobicContact CE-CB 3.94Å; M663-M665 HydrophobicContact CE-CE 3.66Å; M663-M665 HydrophobicContact CE-CG 3.92Å; M663-M665 HydrophobicContact SD-CB 3.58Å; M663-M665 VanDerWaalsContact SD-CB 3.58Å; M663-M665 HydrophobicContact SD-CE 4.44Å; M663-M665 HydrophobicContact SD-CG 3.41Å; M663-M665 WeakPolarHBondContact SD-CG 3.45Å; M663-M665 PolarHBondContact SD-N 3.35Å; M663-M665 VanDerWaalsContact SD-N 3.37Å; M665-M667 VanDerWaalsContact C-N 3.34Å; M665-M667 PolarHBondContact O-N 3.04Å; M665-V668 PolarHBondContact O-N 3.34Å; M665-S669 WeakPolarHBondContact O-CB 3.46Å; M665-S669 PolarHBondContact O-N 3.39Å; M665-S669 PolarHBondContact O-OG 2.94Å; M665-R710 PolarHBondContact SD-NH2 2.7Å
666	N	94	Very high	97	Very high	143 Å²	143	33.8 Å²	33.8	77%	0.765	19%	0.185	S	C	*	.	H	α-helix	trans	-67.6	-36	-180	-69	-13.6	0	0	0	112.2	G664 S669 K670	G664-N666 PolarHBondContact O-N 3.28Å; N666-S669 PolarHBondContact O-N 2.99Å; N666-K670 PolarHBondContact O-N 3.35Å
667	M	95.6	Very high	97	Very high	43 Å²	43	39.2 Å²	39.2	21%	0.212	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-47.4	177.3	-170.7	-172.7	-62.1	0	0	110.8	H636 V637 A662 G664 M665 S669 K670 A671	H636-M667 HydrophobicContact CB-CE 3.76Å; H636-M667 HydrophobicContact CB-SD 3.95Å; V637-M667 HydrophobicContact CB-CG 4.04Å; V637-M667 HydrophobicContact CB-SD 3.68Å; V637-M667 HydrophobicContact CG2-CG 3.88Å; V637-M667 HydrophobicContact CG2-SD 3.75Å; A662-M667 HydrophobicContact CB-CE 4.35Å; G664-M667 WeakPolarHBondContact O-CB 3.48Å; G664-M667 PolarHBondContact O-N 2.63Å; G664-M667 VanDerWaalsContact O-N 3.12Å; M665-M667 VanDerWaalsContact C-N 3.34Å; M665-M667 PolarHBondContact O-N 3.04Å; M667-S669 VanDerWaalsContact C-N 3.34Å; M667-S669 PolarHBondContact O-N 2.94Å; M667-K670 PolarHBondContact O-N 2.84Å; M667-A671 VanDerWaalsContact O-CB 3.31Å; M667-A671 WeakPolarHBondContact O-CB 3.4Å; M667-A671 PolarHBondContact O-N 3.41Å
668	V	97.8	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-37.5	176.5	177.6	0	0	0	0	111.1	M596 R598 F630 V637 A657 T659 G664 M665 A671 T672	M596-V668 HydrophobicContact CB-CG2 3.99Å; M596-V668 HydrophobicContact CG-CB 4.49Å; M596-V668 HydrophobicContact CG-CG2 3.92Å; R598-V668 HydrophobicContact CB-CG1 3.61Å; F630-V668 HydrophobicContact CZ-CG1 4.11Å; V637-V668 HydrophobicContact CG2-CG2 4.38Å; A657-V668 HydrophobicContact CB-CG2 4.28Å; T659-V668 HydrophobicContact CG2-CG2 3.56Å; G664-V668 WeakPolarHBondContact O-CG2 3.41Å; G664-V668 PolarHBondContact O-N 3.13Å; M665-V668 PolarHBondContact O-N 3.34Å; V668-A671 PolarHBondContact O-N 3.34Å; V668-T672 VanDerWaalsContact O-CB 3.24Å; V668-T672 WeakPolarHBondContact O-CB 3.37Å; V668-T672 PolarHBondContact O-N 3.09Å; V668-T672 PolarHBondContact O-OG1 2.95Å
669	S	97.6	Very high	97	Very high	25 Å²	25	36.6 Å²	36.6	18%	0.175	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-47.8	174.8	-65.4	0	0	0	0	112.3	R598 M665 N666 M667 A671 T672 D673	R598-S669 PolarHBondContact NE-OG 3.18Å; M665-S669 WeakPolarHBondContact O-CB 3.46Å; M665-S669 PolarHBondContact O-N 3.39Å; M665-S669 PolarHBondContact O-OG 2.94Å; N666-S669 PolarHBondContact O-N 2.99Å; M667-S669 VanDerWaalsContact C-N 3.34Å; M667-S669 PolarHBondContact O-N 2.94Å; S669-A671 PolarHBondContact O-N 3.39Å; S669-T672 PolarHBondContact O-N 2.99Å; S669-D673 PolarHBondContact O-N 2.92Å
670	K	98	Very high	97	Very high	133 Å²	133	41.7 Å²	41.7	58%	0.578	23%	0.225	S	C	*	.	H	α-helix	trans	-60.4	-44.8	175.5	-179.1	-172.8	176.9	-168.7	0	111.9	N666 M667 T672 D673 S674	N666-K670 PolarHBondContact O-N 3.35Å; M667-K670 PolarHBondContact O-N 2.84Å; K670-T672 VanDerWaalsContact C-N 3.35Å; K670-D673 PolarHBondContact O-N 2.82Å; K670-S674 PolarHBondContact O-N 3.05Å; K670-S674 VanDerWaalsContact O-N 3.07Å
671	A	98.5	Very high	97.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-39.6	179.7	0	0	0	0	0	112.1	F630 T633 V637 M667 V668 S669 S674 A675	F630-A671 HydrophobicContact CD1-CB 3.55Å; F630-A671 VanDerWaalsContact CD2-C 3.41Å; F630-A671 HydrophobicContact CD2-CB 3.65Å; F630-A671 WeakPolarHBondContact CD2-O 3.38Å; F630-A671 HydrophobicContact CE1-CB 3.4Å; F630-A671 HydrophobicContact CE2-CB 3.51Å; F630-A671 HydrophobicContact CG-CB 3.67Å; F630-A671 HydrophobicContact CZ-CB 3.38Å; T633-A671 HydrophobicContact CG2-CB 4.4Å; T633-A671 VanDerWaalsContact OG1-CB 3.26Å; T633-A671 WeakPolarHBondContact OG1-CB 3.13Å; V637-A671 HydrophobicContact CG1-CB 4.32Å; M667-A671 VanDerWaalsContact O-CB 3.31Å; M667-A671 WeakPolarHBondContact O-CB 3.4Å; M667-A671 PolarHBondContact O-N 3.41Å; V668-A671 PolarHBondContact O-N 3.34Å; S669-A671 PolarHBondContact O-N 3.39Å; A671-S674 PolarHBondContact O-N 3.4Å; A671-A675 PolarHBondContact O-N 3.26Å
672	T	98.6	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-42.3	174.7	-57.5	0	0	0	0	111.4	R598 P600 F655 V668 S669 K670 S674 A675 L676 L691	R598-T672 HydrophobicContact CG-CG2 4.32Å; P600-T672 VanDerWaalsContact CD-CG2 3.48Å; P600-T672 HydrophobicContact CG-CG2 3.61Å; F655-T672 HydrophobicContact CD2-CG2 3.58Å; F655-T672 HydrophobicContact CE2-CG2 3.78Å; F655-T672 HydrophobicContact CG-CG2 4.2Å; V668-T672 VanDerWaalsContact O-CB 3.24Å; V668-T672 WeakPolarHBondContact O-CB 3.37Å; V668-T672 PolarHBondContact O-N 3.09Å; V668-T672 PolarHBondContact O-OG1 2.95Å; S669-T672 PolarHBondContact O-N 2.99Å; K670-T672 VanDerWaalsContact C-N 3.35Å; T672-S674 VanDerWaalsContact C-N 3.32Å; T672-S674 PolarHBondContact O-N 3.34Å; T672-A675 PolarHBondContact O-N 3.44Å; T672-L676 HydrophobicContact CG2-CD1 4.41Å; T672-L676 HydrophobicContact CG2-CG 4.46Å; T672-L676 WeakPolarHBondContact O-CG 3.36Å; T672-L676 PolarHBondContact O-N 3.39Å; T672-L691 HydrophobicContact CG2-CD1 3.91Å
673	D	98.5	Very high	97.2	Very high	69 Å²	69	51.6 Å²	51.6	37%	0.369	25%	0.25	S	S	.	.	H	α-helix	trans	-60	-42.8	175.2	-176.3	64.5	0	0	0	111.7	S669 K670 A675 L676 H677 L691	S669-D673 PolarHBondContact O-N 2.92Å; K670-D673 PolarHBondContact O-N 2.82Å; D673-A675 PolarHBondContact O-N 3.07Å; D673-L676 PolarHBondContact O-N 3.35Å; D673-H677 PolarHBondContact O-N 3.26Å; D673-H677 PolarHBondContact O-ND1 3.41Å; D673-H677 IonicContact OD1-CE1 3.93Å; D673-H677 PolarHBondContact OD1-CE1 3.1Å; D673-H677 IonicContact OD1-ND1 3.29Å; D673-H677 IonicContact OD2-CE1 3.53Å; D673-H677 PolarHBondContact OD2-CE1 3.31Å; D673-H677 VanDerWaalsContact OD2-CE1 3.24Å; D673-H677 IonicContact OD2-ND1 3.72Å; D673-H677 PolarHBondContact OD2-ND1 2.94Å; D673-L691 HydrophobicContact CB-CD1 4.13Å; D673-L691 HydrophobicContact CB-CD2 4.48Å
674	S	98.5	Very high	97.2	Very high	44 Å²	44	54.8 Å²	54.8	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-42.3	174.1	-167.5	0	0	0	0	112.7	A629 K670 A671 T672 L676 H677 C678	A629-S674 PolarHBondContact O-OG 3.5Å; K670-S674 PolarHBondContact O-N 3.05Å; K670-S674 VanDerWaalsContact O-N 3.07Å; A671-S674 PolarHBondContact O-N 3.4Å; T672-S674 VanDerWaalsContact C-N 3.32Å; T672-S674 PolarHBondContact O-N 3.34Å; S674-L676 VanDerWaalsContact C-N 3.35Å; S674-L676 PolarHBondContact O-N 3.27Å; S674-H677 PolarHBondContact O-N 3.49Å; S674-C678 PolarHBondContact O-N 3.02Å
675	A	98.5	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-38	175.5	0	0	0	0	0	112.2	L626 F630 F655 A671 T672 D673 C678 L679	L626-A675 HydrophobicContact CD2-CB 4.29Å; L626-A675 WeakPolarHBondContact CD2-O 3.37Å; F630-A675 HydrophobicContact CB-CB 4.39Å; F630-A675 HydrophobicContact CD2-CB 4.14Å; F655-A675 HydrophobicContact CE1-CB 3.8Å; F655-A675 HydrophobicContact CZ-CB 4.09Å; A671-A675 PolarHBondContact O-N 3.26Å; T672-A675 PolarHBondContact O-N 3.44Å; D673-A675 PolarHBondContact O-N 3.07Å; A675-C678 WeakPolarHBondContact O-CB 3.2Å; A675-C678 PolarHBondContact O-N 2.96Å; A675-L679 WeakPolarHBondContact O-CB 3.09Å; A675-L679 PolarHBondContact O-N 3.45Å
676	L	98.4	Very high	97.5	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-40.5	174.6	-70.2	174.4	0	0	0	112.3	P600 V602 T672 D673 S674 C678 L679 K680 V688 L691	P600-L676 HydrophobicContact CB-CD1 3.75Å; P600-L676 HydrophobicContact CB-CD2 4.26Å; P600-L676 HydrophobicContact CG-CD1 3.98Å; P600-L676 HydrophobicContact CG-CD2 3.96Å; P600-L676 HydrophobicContact CG-CG 4.28Å; V602-L676 HydrophobicContact CG1-CD2 3.9Å; T672-L676 HydrophobicContact CG2-CD1 4.41Å; T672-L676 HydrophobicContact CG2-CG 4.46Å; T672-L676 WeakPolarHBondContact O-CG 3.36Å; T672-L676 PolarHBondContact O-N 3.39Å; D673-L676 PolarHBondContact O-N 3.35Å; S674-L676 VanDerWaalsContact C-N 3.35Å; S674-L676 PolarHBondContact O-N 3.27Å; L676-C678 VanDerWaalsContact C-N 3.27Å; L676-C678 PolarHBondContact O-N 2.95Å; L676-L679 PolarHBondContact O-N 3.3Å; L676-K680 WeakPolarHBondContact O-CB 3.22Å; L676-K680 PolarHBondContact O-N 2.93Å; L676-V688 HydrophobicContact CB-CG2 4.27Å; L676-V688 HydrophobicContact CD1-CG1 3.97Å; L676-V688 HydrophobicContact CD1-CG2 4.08Å; L676-L691 HydrophobicContact CD1-CD1 3.77Å
677	H	98.1	Very high	97.7	Very high	114 Å²	114	54.7 Å²	54.7	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-37.1	172.9	-77.1	88.2	0	0	0	111.8	D673 S674	D673-H677 PolarHBondContact O-N 3.26Å; D673-H677 PolarHBondContact O-ND1 3.41Å; D673-H677 IonicContact OD1-CE1 3.93Å; D673-H677 PolarHBondContact OD1-CE1 3.1Å; D673-H677 IonicContact OD1-ND1 3.29Å; D673-H677 IonicContact OD2-CE1 3.53Å; D673-H677 PolarHBondContact OD2-CE1 3.31Å; D673-H677 VanDerWaalsContact OD2-CE1 3.24Å; D673-H677 IonicContact OD2-ND1 3.72Å; D673-H677 PolarHBondContact OD2-ND1 2.94Å; S674-H677 PolarHBondContact O-N 3.49Å
678	C	98.2	Very high	97.8	Very high	20 Å²	20	55.4 Å²	55.4	14%	0.135	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-49.1	172.6	-175.4	0	0	0	0	111.5	A629 S674 A675 L676 K680 K681 Y682	A629-C678 HydrophobicContact CB-CB 3.66Å; S674-C678 PolarHBondContact O-N 3.02Å; A675-C678 WeakPolarHBondContact O-CB 3.2Å; A675-C678 PolarHBondContact O-N 2.96Å; L676-C678 VanDerWaalsContact C-N 3.27Å; L676-C678 PolarHBondContact O-N 2.95Å; C678-K680 VanDerWaalsContact C-N 3.28Å; C678-K680 PolarHBondContact O-N 3.33Å; C678-K681 VanDerWaalsContact O-CB 3.32Å; C678-K681 WeakPolarHBondContact O-CB 3.42Å; C678-K681 PolarHBondContact O-N 2.89Å; C678-Y682 WeakPolarHBondContact O-CD2 3.46Å
679	L	98	Very high	97.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-39.1	179.7	-171.8	62.5	0	0	0	112.3	W616 I617 L626 I653 A675 L676 K681 Y682 F683 M686	W616-L679 HydrophobicContact CE3-CD1 3.77Å; W616-L679 HydrophobicContact CZ3-CD1 3.53Å; I617-L679 HydrophobicContact CD1-CD1 4.48Å; I617-L679 HydrophobicContact CD1-CD2 4.22Å; I617-L679 HydrophobicContact CG1-CD1 4.26Å; L626-L679 HydrophobicContact CD2-CB 4.09Å; L626-L679 HydrophobicContact CD2-CD1 4.42Å; I653-L679 HydrophobicContact CD1-CD2 3.79Å; A675-L679 WeakPolarHBondContact O-CB 3.09Å; A675-L679 PolarHBondContact O-N 3.45Å; L676-L679 PolarHBondContact O-N 3.3Å; L679-K681 PolarHBondContact O-N 2.91Å; L679-Y682 PolarHBondContact O-N 3.13Å; L679-F683 HydrophobicContact CD1-CD2 3.77Å; L679-F683 HydrophobicContact CD1-CE2 4.09Å; L679-F683 HydrophobicContact CG-CD2 4.33Å; L679-F683 PolarHBondContact O-N 3.24Å; L679-M686 HydrophobicContact CB-CE 4.24Å; L679-M686 HydrophobicContact CD2-CE 4.26Å; L679-M686 HydrophobicContact CD2-SD 3.6Å; L679-M686 VanDerWaalsContact CD2-SD 3.6Å; L679-M686 HydrophobicContact CG-CE 4.23Å; L679-M686 HydrophobicContact CG-SD 3.86Å
680	K	97.6	Very high	97.9	Very high	110 Å²	110	60.2 Å²	60.2	48%	0.478	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-21.8	177.6	-163.2	174.5	-176.4	-178	0	113.6	L676 C678 F683 S684 M686	L676-K680 WeakPolarHBondContact O-CB 3.22Å; L676-K680 PolarHBondContact O-N 2.93Å; C678-K680 VanDerWaalsContact C-N 3.28Å; C678-K680 PolarHBondContact O-N 3.33Å; K680-F683 CarbonylContact O-C 3.28Å; K680-S684 WeakPolarHBondContact O-CA 3.24Å; K680-S684 PolarHBondContact O-N 3.2Å; K680-M686 HydrophobicContact CB-CE 3.86Å; K680-M686 HydrophobicContact CG-CE 4.38Å
681	K	97.4	Very high	97.8	Very high	175 Å²	175	56.5 Å²	56.5	76%	0.761	29%	0.29	S	S	*	.	H	α-helix	trans	-71.1	-32.1	174.4	-63	177.5	179.5	-178.5	0	112.3	C678 L679	C678-K681 VanDerWaalsContact O-CB 3.32Å; C678-K681 WeakPolarHBondContact O-CB 3.42Å; C678-K681 PolarHBondContact O-N 2.89Å; L679-K681 PolarHBondContact O-N 2.91Å
682	Y	96.5	Very high	97.7	Very high	117 Å²	117	58.4 Å²	58.4	46%	0.459	30%	0.303	S	S	.	.	H	α-helix	trans	-87.3	-33.1	177.2	-66.2	-87.4	0	0	0	111.9	W616 T625 C678 L679	W616-Y682 AromaticContact CH2-CD2 3.84Å; W616-Y682 HydrophobicContact CH2-CD2 3.84Å; W616-Y682 AromaticContact CH2-CE2 3.97Å; W616-Y682 HydrophobicContact CH2-CE2 3.97Å; W616-Y682 HydrophobicContact CH2-CG 4.25Å; W616-Y682 AromaticContact CZ2-CD1 3.95Å; W616-Y682 HydrophobicContact CZ2-CD1 3.95Å; W616-Y682 AromaticContact CZ2-CD2 3.8Å; W616-Y682 HydrophobicContact CZ2-CD2 3.8Å; W616-Y682 AromaticContact CZ2-CE1 3.97Å; W616-Y682 HydrophobicContact CZ2-CE1 3.97Å; W616-Y682 AromaticContact CZ2-CE2 3.82Å; W616-Y682 HydrophobicContact CZ2-CE2 3.82Å; W616-Y682 AromaticContact CZ2-CG 3.86Å; W616-Y682 HydrophobicContact CZ2-CG 3.86Å; W616-Y682 AromaticContact CZ2-CZ 3.91Å; T625-Y682 HydrophobicContact CG2-CE2 3.8Å; C678-Y682 WeakPolarHBondContact O-CD2 3.46Å; L679-Y682 PolarHBondContact O-N 3.13Å
683	F	97.5	Very high	97.5	Very high	27 Å²	27	58.9 Å²	58.9	12%	0.118	31%	0.307	C	S	.	.			trans	-121.7	77.6	-179.1	-64.9	-80.5	0	0	0	110.4	F604 K612 C613 W616 L679 K680 N685 M686	F604-F683 HydrophobicContact CE1-CB 3.88Å; F604-F683 HydrophobicContact CE1-CD1 4.07Å; F604-F683 HydrophobicContact CE1-CG 4.19Å; F604-F683 HydrophobicContact CZ-CB 4.17Å; F604-F683 HydrophobicContact CZ-CG 4.38Å; K612-F683 HydrophobicContact CB-CE1 4.13Å; C613-F683 HydrophobicContact CB-CD1 4.05Å; C613-F683 HydrophobicContact CB-CD2 4.25Å; C613-F683 HydrophobicContact CB-CE1 3.89Å; C613-F683 HydrophobicContact CB-CE2 4.1Å; C613-F683 HydrophobicContact CB-CG 4.24Å; C613-F683 HydrophobicContact CB-CZ 3.94Å; W616-F683 HydrophobicContact CB-CE2 4.01Å; W616-F683 HydrophobicContact CB-CZ 3.82Å; W616-F683 HydrophobicContact CD2-CE2 4.04Å; W616-F683 HydrophobicContact CE3-CE2 4.06Å; W616-F683 HydrophobicContact CG-CE2 4.03Å; W616-F683 HydrophobicContact CG-CZ 4.18Å; L679-F683 HydrophobicContact CD1-CD2 3.77Å; L679-F683 HydrophobicContact CD1-CE2 4.09Å; L679-F683 HydrophobicContact CG-CD2 4.33Å; L679-F683 PolarHBondContact O-N 3.24Å; K680-F683 CarbonylContact O-C 3.28Å; F683-N685 PolarHBondContact O-N 3.3Å; F683-M686 HydrophobicContact CB-CB 4.09Å; F683-M686 WeakPolarHBondContact O-CB 3.49Å; F683-M686 PolarHBondContact O-N 3.35Å
684	S	96.5	Very high	97.3	Very high	102 Å²	102	60 Å²	60	71%	0.713	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.1	-172.9	58.4	0	0	0	0	114.4	K680 M686	K680-S684 WeakPolarHBondContact O-CA 3.24Å; K680-S684 PolarHBondContact O-N 3.2Å; S684-M686 VanDerWaalsContact C-N 3.3Å
685	N	96.2	Very high	97.1	Very high	60 Å²	60	60.2 Å²	60.2	32%	0.321	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.2	175.4	68.6	-15.3	0	0	0	113.9	P605 D609 F683	P605-N685 VanDerWaalsContact CD-O 3.3Å; P605-N685 WeakPolarHBondContact CD-O 3.39Å; P605-N685 HydrophobicContact CG-CB 4.27Å; D609-N685 PolarHBondContact OD2-ND2 3.15Å; F683-N685 PolarHBondContact O-N 3.3Å
686	M	98.1	Very high	96.8	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.02	31%	0.31	C	S	.	.			trans	-73.4	132.8	173.8	-174.5	-171.7	73.8	0	0	111.1	V602 F604 L679 K680 F683 S684 V688	V602-M686 HydrophobicContact CB-CG 3.82Å; V602-M686 HydrophobicContact CB-SD 3.95Å; V602-M686 HydrophobicContact CG1-CE 4.39Å; V602-M686 HydrophobicContact CG1-CG 4.22Å; V602-M686 HydrophobicContact CG1-SD 3.81Å; V602-M686 HydrophobicContact CG2-CG 4.21Å; V602-M686 HydrophobicContact CG2-SD 4.09Å; F604-M686 HydrophobicContact CD1-CB 4.48Å; F604-M686 HydrophobicContact CE1-CB 3.8Å; F604-M686 HydrophobicContact CE1-CG 4.22Å; F604-M686 HydrophobicContact CE2-CB 4.33Å; F604-M686 HydrophobicContact CE2-CG 3.84Å; F604-M686 HydrophobicContact CE2-SD 4.47Å; F604-M686 HydrophobicContact CZ-CB 3.69Å; F604-M686 HydrophobicContact CZ-CG 3.6Å; F604-M686 HydrophobicContact CZ-SD 4.13Å; L679-M686 HydrophobicContact CB-CE 4.24Å; L679-M686 HydrophobicContact CD2-CE 4.26Å; L679-M686 HydrophobicContact CD2-SD 3.6Å; L679-M686 VanDerWaalsContact CD2-SD 3.6Å; L679-M686 HydrophobicContact CG-CE 4.23Å; L679-M686 HydrophobicContact CG-SD 3.86Å; K680-M686 HydrophobicContact CB-CE 3.86Å; K680-M686 HydrophobicContact CG-CE 4.38Å; F683-M686 HydrophobicContact CB-CB 4.09Å; F683-M686 WeakPolarHBondContact O-CB 3.49Å; F683-M686 PolarHBondContact O-N 3.35Å; S684-M686 VanDerWaalsContact C-N 3.3Å; M686-V688 HydrophobicContact CE-CG2 4.2Å
687	Q	98.1	Very high	96.4	Very high	103 Å²	103	60.9 Å²	60.9	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.7	169.9	-174.6	178.5	1.5	0	0	110.3	V602 W603 I689	V602-Q687 CarbonylContact C-O 3.51Å; V602-Q687 WeakPolarHBondContact CA-O 3.07Å; V602-Q687 WeakPolarHBondContact CB-O 3.5Å; W603-Q687 HydrophobicContact CE3-CB 4.24Å; W603-Q687 PolarHBondContact N-O 2.8Å; W603-Q687 PolarHBondContact O-N 2.84Å; Q687-I689 HydrophobicContact CG-CD1 4.07Å; Q687-I689 PolarHBondContact O-N 3.49Å
688	V	98.3	Very high	96.2	Very high	58 Å²	58	57.1 Å²	57.1	35%	0.352	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.8	167.8	-178.6	0	0	0	0	107.8	V602 L676 M686	V602-V688 HydrophobicContact CG1-CG2 4.27Å; L676-V688 HydrophobicContact CB-CG2 4.27Å; L676-V688 HydrophobicContact CD1-CG1 3.97Å; L676-V688 HydrophobicContact CD1-CG2 4.08Å; M686-V688 HydrophobicContact CE-CG2 4.2Å
689	I	98.1	Very high	96	Very high	80 Å²	80	60.2 Å²	60.2	41%	0.41	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-42.2	178.2	-59.5	-63.4	0	0	0	110	V601 W603 Y650 Q687	V601-I689 HydrophobicContact CG1-CB 4.1Å; V601-I689 HydrophobicContact CG1-CG2 4.26Å; V601-I689 WeakPolarHBondContact O-CB 3.11Å; V601-I689 PolarHBondContact O-N 3.33Å; W603-I689 HydrophobicContact CB-CD1 3.77Å; W603-I689 HydrophobicContact CB-CG1 3.61Å; Y650-I689 HydrophobicContact CD1-CG1 4.29Å; Y650-I689 HydrophobicContact CE1-CG1 4.07Å; Q687-I689 HydrophobicContact CG-CD1 4.07Å; Q687-I689 PolarHBondContact O-N 3.49Å
690	S	98	Very high	95.7	Very high	47 Å²	47	65.5 Å²	65.5	33%	0.329	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.6	174.2	173.6	0	0	0	0	110.6	P600 V601 S692	P600-S690 CarbonylContact C-O 3.3Å; P600-S690 WeakPolarHBondContact CA-O 3.36Å; P600-S690 WeakPolarHBondContact CB-O 3.4Å; V601-S690 PolarHBondContact N-O 3.36Å; V601-S690 PolarHBondContact O-N 2.91Å; S690-S692 PolarHBondContact O-N 2.99Å; S690-S692 VanDerWaalsContact OG-C 3.3Å; S690-S692 PolarHBondContact OG-N 3.2Å; S690-S692 PolarHBondContact OG-O 3.43Å
691	L	96.9	Very high	95.4	Very high	55 Å²	55	63.7 Å²	63.7	29%	0.288	33%	0.332	S	S	.	.	S	Bend	trans	-67.6	-17.9	170.6	-170.4	63	0	0	0	112.3	R598 P600 T672 D673 L676	R598-L691 WeakPolarHBondContact CD-O 3.22Å; R598-L691 WeakPolarHBondContact CG-O 3.42Å; P600-L691 WeakPolarHBondContact CA-O 3.1Å; T672-L691 HydrophobicContact CG2-CD1 3.91Å; D673-L691 HydrophobicContact CB-CD1 4.13Å; D673-L691 HydrophobicContact CB-CD2 4.48Å; L676-L691 HydrophobicContact CD1-CD1 3.77Å
692	S	95.1	Very high	95.1	Very high	40 Å²	40	56 Å²	56	28%	0.28	30%	0.301	S	S	.	.			trans	-133.8	97.2	176.5	-171.5	0	0	0	0	110.4	R598 S690	R598-S692 PolarHBondContact NH1-OG 2.88Å; R598-S692 VanDerWaalsContact NH1-OG 3.14Å; S690-S692 PolarHBondContact O-N 2.99Å; S690-S692 VanDerWaalsContact OG-C 3.3Å; S690-S692 PolarHBondContact OG-N 3.2Å; S690-S692 PolarHBondContact OG-O 3.43Å
693	G	95.7	Very high	95	Very high	9 Å²	9	53.2 Å²	53.2	9%	0.093	30%	0.296	C	S	.	.			trans	-96.4	30.9	178.1	0	0	0	0	0	114.3	A599 H652 M695	A599-G693 WeakPolarHBondContact O-CA 3.48Å; A599-G693 PolarHBondContact O-N 3.17Å; H652-G693 PolarHBondContact CE1-O 2.93Å; H652-G693 VanDerWaalsContact CE1-O 3.29Å; H652-G693 PolarHBondContact ND1-O 2.82Å; G693-M695 VanDerWaalsContact C-N 3.26Å; G693-M695 PolarHBondContact O-N 2.59Å; G693-M695 VanDerWaalsContact O-N 3.08Å
694	N	93.9	Very high	94.8	Very high	94 Å²	94	53.5 Å²	53.5	50%	0.503	30%	0.299	S	S	.	.	S	Bend	trans	57.6	20.2	173.5	-67.5	-21.2	0	0	0	117.4	T697	N694-T697 PolarHBondContact O-OG1 2.86Å; N694-T697 VanDerWaalsContact O-OG1 3.1Å
695	M	94.9	Very high	94.7	Very high	48 Å²	48	48.7 Å²	48.7	24%	0.236	27%	0.265	C	S	.	.	S	Bend	trans	-99	-4.7	169.3	-80.6	-72.5	-78.4	0	0	113.5	A599 C645 H652 R654 G693 I704	A599-M695 HydrophobicContact CB-CB 3.64Å; C645-M695 HydrophobicContact CB-CE 4.14Å; H652-M695 HydrophobicContact CB-CB 4.18Å; H652-M695 HydrophobicContact CB-CG 3.68Å; R654-M695 WeakPolarHBondContact CD-O 3.28Å; R654-M695 PolarHBondContact NE-O 3.08Å; G693-M695 VanDerWaalsContact C-N 3.26Å; G693-M695 PolarHBondContact O-N 2.59Å; G693-M695 VanDerWaalsContact O-N 3.08Å; M695-I704 HydrophobicContact CE-CD1 3.39Å; M695-I704 HydrophobicContact SD-CD1 3.95Å
696	C	92.1	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-107.9	21.9	167.3	62.8	0	0	0	0	110.9	R598 A599 D698 R710	R598-C696 PolarHBondContact NH1-SG 3.07Å; R598-C696 VanDerWaalsContact NH1-SG 3.37Å; A599-C696 HydrophobicContact CB-CB 3.66Å; A599-C696 VanDerWaalsContact CB-N 3.35Å; A599-C696 PolarHBondContact N-SG 2.66Å; C696-D698 PolarHBondContact O-N 3.44Å; C696-R710 PolarHBondContact O-NE 3.32Å
697	T	90.1	Very high	94.4	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.092	28%	0.278	C	S	.	.			trans	-15.4	117.3	-163.5	-50.6	0	0	0	0	113.8	N694 K700 A702 N705 R710	N694-T697 PolarHBondContact O-OG1 2.86Å; N694-T697 VanDerWaalsContact O-OG1 3.1Å; T697-K700 HydrophobicContact CG2-CB 3.58Å; T697-K700 WeakPolarHBondContact CG2-O 3.2Å; T697-A702 VanDerWaalsContact CB-CB 3.41Å; T697-A702 HydrophobicContact CG2-CB 3.71Å; T697-A702 WeakPolarHBondContact OG1-CB 3.46Å; T697-N705 PolarHBondContact O-ND2 3.15Å; T697-R710 PolarHBondContact O-NH1 2.97Å
698	D	93.5	Very high	94.2	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.193	27%	0.269	C	S	.	.			trans	-110	132.1	-175.1	-171.4	40.6	0	0	0	109.4	C696 K700 R710 Q780	C696-D698 PolarHBondContact O-N 3.44Å; D698-K700 PolarHBondContact O-N 2.9Å; D698-K700 VanDerWaalsContact O-N 3.11Å; D698-R710 IonicContact OD1-CZ 3.77Å; D698-R710 IonicContact OD1-NH1 2.88Å; D698-R710 PolarHBondContact OD1-NH1 3.22Å; D698-R710 IonicContact OD1-NH2 3.05Å; D698-R710 PolarHBondContact OD1-NH2 3.23Å; D698-Q780 PolarHBondContact OD1-NE2 3.47Å; D698-Q780 PolarHBondContact OD1-OE1 2.68Å
699	K	94	Very high	94	Very high	85 Å²	85	46.3 Å²	46.3	37%	0.37	25%	0.252	S	S	.	.	S	Bend	trans	57.4	25	176.8	-54.3	171.7	179	-155.2	0	113.9	D777 A779	K699-D777 WeakPolarHBondContact CE-OD2 3.44Å; K699-D777 IonicContact NZ-OD1 3.51Å; K699-D777 PolarHBondContact NZ-OD1 2.92Å; K699-D777 IonicContact NZ-OD2 2.74Å; K699-D777 PolarHBondContact NZ-OD2 3.05Å; K699-A779 HydrophobicContact CB-CB 4.26Å; K699-A779 HydrophobicContact CD-CB 3.51Å; K699-A779 HydrophobicContact CG-CB 3.72Å
700	K	92.3	Very high	94	Very high	110 Å²	110	42.5 Å²	42.5	48%	0.478	23%	0.233	S	C	.	.	S	Bend	trans	-147.4	145.6	-179.3	-63.5	168.4	-170.7	165	0	109.2	T697 D698 A702 D783	T697-K700 HydrophobicContact CG2-CB 3.58Å; T697-K700 WeakPolarHBondContact CG2-O 3.2Å; D698-K700 PolarHBondContact O-N 2.9Å; D698-K700 VanDerWaalsContact O-N 3.11Å; K700-A702 PolarHBondContact O-N 2.84Å; K700-D783 VanDerWaalsContact O-OD1 3.1Å
701	P	90.3	Very high	94	Very high	73 Å²	73	40.5 Å²	40.5	47%	0.474	22%	0.22	S	C	.	.			trans	-67.6	128.9	-179.4	28.4	-34.3	0	0	0	111.4	P754 M757 V782	P701-P754 HydrophobicContact CB-CG 4.36Å; P701-M757 HydrophobicContact CB-CE 3.43Å; P701-M757 VanDerWaalsContact CB-CE 3.43Å; P701-M757 HydrophobicContact CB-CG 3.9Å; P701-M757 HydrophobicContact CB-SD 3.6Å; P701-M757 VanDerWaalsContact CB-SD 3.6Å; P701-V782 HydrophobicContact CB-CG1 4.41Å
702	A	91.2	Very high	94	Very high	13 Å²	13	38.1 Å²	38.1	11%	0.107	21%	0.207	C	C	.	.			trans	-142.5	136.1	169.8	0	0	0	0	0	115.7	T697 K700 I704 N705 T706	T697-A702 VanDerWaalsContact CB-CB 3.41Å; T697-A702 HydrophobicContact CG2-CB 3.71Å; T697-A702 WeakPolarHBondContact OG1-CB 3.46Å; K700-A702 PolarHBondContact O-N 2.84Å; A702-I704 VanDerWaalsContact C-N 3.28Å; A702-I704 HydrophobicContact CB-CG2 4.08Å; A702-I704 PolarHBondContact O-N 2.79Å; A702-N705 PolarHBondContact O-N 3.3Å; A702-T706 PolarHBondContact O-N 3.06Å
703	T	93.8	Very high	94.2	Very high	58 Å²	58	36.2 Å²	36.2	36%	0.356	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-31.6	175.6	-47.8	0	0	0	0	112.8	N705 T706 I707	T703-N705 VanDerWaalsContact C-N 3.28Å; T703-N705 PolarHBondContact O-N 2.88Å; T703-T706 WeakPolarHBondContact CA-OG1 3.41Å; T703-T706 PolarHBondContact O-N 2.81Å; T703-T706 PolarHBondContact O-OG1 2.77Å; T703-I707 HydrophobicContact CG2-CD1 3.79Å; T703-I707 HydrophobicContact CG2-CG1 4.21Å; T703-I707 WeakPolarHBondContact O-CG1 3.28Å; T703-I707 PolarHBondContact O-N 2.65Å
704	I	94	Very high	94.3	Very high	34 Å²	34	35.8 Å²	35.8	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-36.3	177.5	-169.3	165.8	0	0	0	112.2	M695 A702 I707 L708	M695-I704 HydrophobicContact CE-CD1 3.39Å; M695-I704 HydrophobicContact SD-CD1 3.95Å; A702-I704 VanDerWaalsContact C-N 3.28Å; A702-I704 HydrophobicContact CB-CG2 4.08Å; A702-I704 PolarHBondContact O-N 2.79Å; I704-I707 PolarHBondContact O-N 3.23Å; I704-L708 HydrophobicContact CD1-CD1 4.07Å; I704-L708 HydrophobicContact CG1-CD1 3.73Å; I704-L708 HydrophobicContact CG1-CG 4.2Å; I704-L708 WeakPolarHBondContact O-CB 3.33Å; I704-L708 PolarHBondContact O-N 3.17Å
705	N	94.4	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-36.8	176.6	-71.2	-13.7	0	0	0	110.5	R654 T697 A702 T703 G709 R710 D783 C808	R654-N705 PolarHBondContact NH2-OD1 3.07Å; T697-N705 PolarHBondContact O-ND2 3.15Å; A702-N705 PolarHBondContact O-N 3.3Å; T703-N705 VanDerWaalsContact C-N 3.28Å; T703-N705 PolarHBondContact O-N 2.88Å; N705-G709 CarbonylContact O-C 3.59Å; N705-G709 WeakPolarHBondContact O-CA 3.19Å; N705-G709 PolarHBondContact O-N 2.8Å; N705-R710 HydrophobicContact CB-CB 4.18Å; N705-R710 VanDerWaalsContact ND2-CD 3.34Å; N705-R710 WeakPolarHBondContact ND2-CD 3.34Å; N705-D783 PolarHBondContact ND2-OD2 3.29Å; N705-C808 PolarHBondContact O-SG 3.04Å
706	T	92.8	Very high	94.7	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-70	-34.8	175.8	58.4	0	0	0	0	112.9	A702 T703 M756 M757 P807	A702-T706 PolarHBondContact O-N 3.06Å; T703-T706 WeakPolarHBondContact CA-OG1 3.41Å; T703-T706 PolarHBondContact O-N 2.81Å; T703-T706 PolarHBondContact O-OG1 2.77Å; T706-M756 HydrophobicContact CG2-CB 4.29Å; T706-M757 HydrophobicContact CG2-CE 4.22Å; T706-P807 HydrophobicContact CG2-CG 4.07Å
707	I	94.3	Very high	95	Very high	110 Å²	110	34.8 Å²	34.8	56%	0.564	18%	0.182	S	C	*	.	H	α-helix	trans	-72.7	-55	176.2	-65.9	169	0	0	0	111.2	R593 T703 I704	R593-I707 PolarHBondContact NH1-O 3.37Å; T703-I707 HydrophobicContact CG2-CD1 3.79Å; T703-I707 HydrophobicContact CG2-CG1 4.21Å; T703-I707 WeakPolarHBondContact O-CG1 3.28Å; T703-I707 PolarHBondContact O-N 2.65Å; I704-I707 PolarHBondContact O-N 3.23Å
708	L	94.5	Very high	95.4	Very high	58 Å²	58	34.1 Å²	34.1	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-91	-11.6	-171.8	-60.6	-178.1	0	0	0	113.4	R593 Q595 I704	R593-L708 WeakPolarHBondContact CD-O 3.43Å; R593-L708 PolarHBondContact NE-O 3.15Å; R593-L708 PolarHBondContact NH1-O 3.09Å; Q595-L708 PolarHBondContact NE2-O 2.86Å; I704-L708 HydrophobicContact CD1-CD1 4.07Å; I704-L708 HydrophobicContact CG1-CD1 3.73Å; I704-L708 HydrophobicContact CG1-CG 4.2Å; I704-L708 WeakPolarHBondContact O-CB 3.33Å; I704-L708 PolarHBondContact O-N 3.17Å
709	G	94.9	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.			trans	74.7	151.4	-174.7	0	0	0	0	0	113.2	N705 P807	N705-G709 CarbonylContact O-C 3.59Å; N705-G709 WeakPolarHBondContact O-CA 3.19Å; N705-G709 PolarHBondContact O-N 2.8Å; G709-P807 WeakPolarHBondContact CA-O 3.21Å
710	R	96.6	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.			trans	-152.9	118.5	176.3	-176.9	168.8	-177.2	-97.3	-14.8	110.6	Q595 M596 T597 M665 C696 T697 D698 N705 D783 P807 C808 E810	Q595-R710 CarbonylContact O-C 3.27Å; M596-R710 HydrophobicContact SD-CG 4.35Å; T597-R710 HydrophobicContact CG2-CG 4.4Å; T597-R710 WeakPolarHBondContact OG1-CD 3.1Å; T597-R710 PolarHBondContact OG1-NE 2.93Å; M665-R710 PolarHBondContact SD-NH2 2.7Å; C696-R710 PolarHBondContact O-NE 3.32Å; T697-R710 PolarHBondContact O-NH1 2.97Å; D698-R710 IonicContact OD1-CZ 3.77Å; D698-R710 IonicContact OD1-NH1 2.88Å; D698-R710 PolarHBondContact OD1-NH1 3.22Å; D698-R710 IonicContact OD1-NH2 3.05Å; D698-R710 PolarHBondContact OD1-NH2 3.23Å; N705-R710 HydrophobicContact CB-CB 4.18Å; N705-R710 VanDerWaalsContact ND2-CD 3.34Å; N705-R710 WeakPolarHBondContact ND2-CD 3.34Å; R710-D783 IonicContact NH1-OD2 2.7Å; R710-D783 PolarHBondContact NH1-OD2 2.98Å; R710-P807 PolarHBondContact N-O 3.01Å; R710-C808 CarbonylContact O-C 3.56Å; R710-C808 WeakPolarHBondContact O-CA 3.3Å; R710-E810 IonicContact CZ-OE1 2.73Å; R710-E810 IonicContact NE-OE1 3.57Å; R710-E810 IonicContact NH1-OE1 3.69Å; R710-E810 PolarHBondContact NH1-OE1 2.89Å; R710-E810 IonicContact NH1-OE2 3.09Å; R710-E810 PolarHBondContact NH1-OE2 2.93Å; R710-E810 VanDerWaalsContact NH1-OE2 3.14Å; R710-E810 IonicContact NH2-OE1 3.47Å; R710-E810 PolarHBondContact NH2-OE1 2.97Å
711	G	97.6	Very high	96.2	Very high	5 Å²	5	29.1 Å²	29.1	5%	0.052	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.6	-133.5	-165.6	0	0	0	0	0	110.8	Q595	Q595-G711 PolarHBondContact N-O 3.37Å; Q595-G711 PolarHBondContact O-N 3.47Å
712	K	98.3	Very high	96.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.017	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.4	177.8	-46.9	-54.7	-175.6	-176.9	0	109.6	V591 D594 G660 V714 L809 V811 T838	V591-K712 HydrophobicContact CG1-CB 4.49Å; D594-K712 HydrophobicContact CB-CD 4.13Å; D594-K712 WeakPolarHBondContact OD1-CD 3.35Å; D594-K712 WeakPolarHBondContact OD1-CE 3.47Å; D594-K712 IonicContact OD1-NZ 3.43Å; D594-K712 PolarHBondContact OD1-NZ 2.86Å; D594-K712 IonicContact OD2-NZ 3.81Å; D594-K712 PolarHBondContact OD2-NZ 3.08Å; G660-K712 PolarHBondContact O-NZ 3.1Å; K712-V714 HydrophobicContact CB-CG2 4.23Å; K712-L809 HydrophobicContact CB-CB 4.34Å; K712-L809 PolarHBondContact N-O 3.45Å; K712-L809 WeakPolarHBondContact O-CB 3.43Å; K712-L809 PolarHBondContact O-N 2.89Å; K712-V811 HydrophobicContact CG-CG2 4.26Å; K712-T838 HydrophobicContact CG-CG2 4.5Å
713	S	98.4	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.1	174	-48.7	0	0	0	0	109.6	V591 Y592 R593 M806 P807	V591-S713 CarbonylContact C-O 3.57Å; V591-S713 WeakPolarHBondContact CA-O 3.46Å; Y592-S713 VanDerWaalsContact CD1-O 3.24Å; Y592-S713 WeakPolarHBondContact CD1-O 3.35Å; Y592-S713 VanDerWaalsContact CE1-C 3.46Å; Y592-S713 PolarHBondContact N-O 2.82Å; R593-S713 PolarHBondContact N-O 3.43Å; R593-S713 PolarHBondContact O-N 3.33Å; S713-M806 WeakPolarHBondContact CA-O 3.42Å; S713-P807 WeakPolarHBondContact CB-O 3.43Å; S713-P807 PolarHBondContact OG-O 3.22Å
714	V	98.7	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.2	-166.1	-169.9	0	0	0	0	111.1	V590 V591 K712 M806 L809 S842 R843 A846	V590-V714 WeakPolarHBondContact O-CA 3.03Å; V591-V714 HydrophobicContact CG2-CG2 4.07Å; K712-V714 HydrophobicContact CB-CG2 4.23Å; V714-M806 PolarHBondContact N-O 3Å; V714-M806 PolarHBondContact O-N 3.36Å; V714-L809 HydrophobicContact CB-CD1 4.3Å; V714-L809 HydrophobicContact CG2-CD1 3.91Å; V714-S842 VanDerWaalsContact CG2-OG 3.3Å; V714-S842 WeakPolarHBondContact CG2-OG 3.06Å; V714-R843 HydrophobicContact CG1-CG 3.89Å; V714-A846 HydrophobicContact CB-CB 4.17Å; V714-A846 HydrophobicContact CG1-CB 3.73Å
715	I	98.6	Very high	97.2	Very high	55 Å²	55	29.1 Å²	29.1	28%	0.282	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.9	166.5	-61.3	164.9	0	0	0	107.8	S589 V590 Y592 V804 T805	S589-I715 CarbonylContact C-O 3.49Å; S589-I715 WeakPolarHBondContact CA-O 3.24Å; S589-I715 WeakPolarHBondContact CB-O 3.41Å; V590-I715 HydrophobicContact CG1-CB 4.08Å; V590-I715 PolarHBondContact N-O 2.91Å; V590-I715 PolarHBondContact O-N 2.91Å; Y592-I715 HydrophobicContact CD1-CD1 3.87Å; Y592-I715 HydrophobicContact CD1-CG1 3.81Å; Y592-I715 HydrophobicContact CE1-CD1 4.12Å; Y592-I715 HydrophobicContact CE1-CG1 3.82Å; I715-V804 WeakPolarHBondContact CA-O 3.47Å; I715-T805 HydrophobicContact CG1-CG2 3.94Å
716	A	98.8	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.7	171	0	0	0	0	0	109.3	I587 K588 S803 V804 A846	I587-A716 HydrophobicContact CG2-CB 3.8Å; K588-A716 WeakPolarHBondContact O-CA 3.44Å; A716-S803 CarbonylContact O-C 3.57Å; A716-S803 WeakPolarHBondContact O-CA 3.11Å; A716-S803 WeakPolarHBondContact O-CB 3.22Å; A716-V804 HydrophobicContact CB-CG2 3.93Å; A716-V804 PolarHBondContact N-O 2.95Å; A716-V804 PolarHBondContact O-N 3.35Å; A716-A846 HydrophobicContact CB-CB 3.96Å
717	E	98.7	Very high	97.6	Very high	67 Å²	67	38 Å²	38	31%	0.313	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.2	-174.9	-176.9	-175.6	91.8	0	0	111.2	I587 K588 H719 V801 A802	I587-E717 CarbonylContact C-O 3.24Å; I587-E717 VanDerWaalsContact CA-O 3.3Å; I587-E717 WeakPolarHBondContact CA-O 3.43Å; I587-E717 WeakPolarHBondContact CG2-O 3.41Å; K588-E717 PolarHBondContact N-O 3.02Å; K588-E717 PolarHBondContact O-N 2.89Å; E717-H719 IonicContact OE1-CD2 3.21Å; E717-H719 IonicContact OE1-CE1 3.23Å; E717-H719 IonicContact OE1-NE2 2.9Å; E717-H719 PolarHBondContact OE1-NE2 3.14Å; E717-V801 HydrophobicContact CG-CG1 4Å; E717-A802 CarbonylContact C-O 3.59Å; E717-A802 VanDerWaalsContact CA-O 3.29Å; E717-A802 WeakPolarHBondContact CA-O 3.38Å
718	A	98.6	Very high	97.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.8	172.4	0	0	0	0	0	110.5	I581 I587 L720 A802 L850	I581-A718 HydrophobicContact CG1-CB 4.22Å; I587-A718 HydrophobicContact CG1-CB 4.34Å; A718-L720 HydrophobicContact CB-CD1 4.05Å; A718-A802 PolarHBondContact N-O 3.21Å; A718-A802 PolarHBondContact O-N 2.71Å; A718-L850 HydrophobicContact CB-CD2 3.91Å
719	H	98.1	Very high	97.8	Very high	80 Å²	80	31 Å²	31	37%	0.37	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	105.8	177.7	-69.8	-106.1	0	0	0	108.7	A584 E717	A584-H719 WeakPolarHBondContact CB-O 3.22Å; E717-H719 IonicContact OE1-CD2 3.21Å; E717-H719 IonicContact OE1-CE1 3.23Å; E717-H719 IonicContact OE1-NE2 2.9Å; E717-H719 PolarHBondContact OE1-NE2 3.14Å
720	L	98.5	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.3	-174.2	-60.6	95.5	0	0	0	111.1	A580 A584 A718 L725 L729 S799 L800 A802 L854	A580-L720 HydrophobicContact CB-CD2 3.97Å; A584-L720 HydrophobicContact CB-CB 4.35Å; A584-L720 HydrophobicContact CB-CG 4.05Å; A718-L720 HydrophobicContact CB-CD1 4.05Å; L720-L725 HydrophobicContact CB-CD2 3.87Å; L720-L725 HydrophobicContact CB-CG 4.17Å; L720-L725 HydrophobicContact CD2-CD2 4.13Å; L720-L729 HydrophobicContact CD2-CD1 4.48Å; L720-S799 WeakPolarHBondContact O-CA 3.32Å; L720-S799 VanDerWaalsContact O-CB 3.29Å; L720-S799 WeakPolarHBondContact O-CB 3.34Å; L720-L800 HydrophobicContact CB-CB 4.47Å; L720-L800 PolarHBondContact N-O 2.8Å; L720-L800 PolarHBondContact O-N 3.07Å; L720-A802 HydrophobicContact CD1-CB 3.83Å; L720-L854 HydrophobicContact CD1-CD1 3.9Å; L720-L854 HydrophobicContact CD1-CD2 4.38Å; L720-L854 HydrophobicContact CD2-CD1 4.17Å
721	S	98.1	Very high	97.9	Very high	46 Å²	46	37 Å²	37	32%	0.322	20%	0.203	S	C	.	.			trans	-64.9	154.6	175.9	66.9	0	0	0	0	112.4	D723 V724 L725	S721-D723 PolarHBondContact O-N 3.2Å; S721-V724 PolarHBondContact O-N 3.19Å; S721-V724 VanDerWaalsContact O-N 3.1Å; S721-V724 WeakPolarHBondContact OG-CG2 3.39Å; S721-L725 WeakPolarHBondContact O-CG 3.47Å; S721-L725 PolarHBondContact O-N 3.24Å; S721-L725 VanDerWaalsContact O-N 3.11Å
722	A	97.6	Very high	97.9	Very high	40 Å²	40	39.9 Å²	39.9	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-53.2	-39.8	177.2	0	0	0	0	0	112.8	V724 L725 A726	A722-V724 PolarHBondContact O-N 2.72Å; A722-L725 PolarHBondContact O-N 2.81Å; A722-A726 WeakPolarHBondContact O-CB 3.46Å; A722-A726 PolarHBondContact O-N 3.5Å
723	D	97.8	Very high	97.8	Very high	128 Å²	128	39.7 Å²	39.7	68%	0.684	22%	0.217	S	C	*	.	H	α-helix	trans	-61.6	-43.9	178.3	-67.4	-28.3	0	0	0	112.3	S721 A726 Q727	S721-D723 PolarHBondContact O-N 3.2Å; D723-A726 PolarHBondContact O-N 3.19Å; D723-Q727 WeakPolarHBondContact O-CB 3.33Å; D723-Q727 PolarHBondContact O-N 3.26Å
724	V	98.2	Very high	97.8	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-41.4	179.2	171.6	0	0	0	0	110.8	A580 L583 S721 A722 Q727 V728	A580-V724 HydrophobicContact CB-CG1 4.04Å; A580-V724 WeakPolarHBondContact O-CG1 3.39Å; L583-V724 HydrophobicContact CB-CG1 4.32Å; L583-V724 HydrophobicContact CB-CG2 3.91Å; S721-V724 PolarHBondContact O-N 3.19Å; S721-V724 VanDerWaalsContact O-N 3.1Å; S721-V724 WeakPolarHBondContact OG-CG2 3.39Å; A722-V724 PolarHBondContact O-N 2.72Å; V724-Q727 PolarHBondContact O-N 2.86Å; V724-V728 HydrophobicContact CG1-CG2 4.36Å; V724-V728 WeakPolarHBondContact O-CB 3.12Å; V724-V728 PolarHBondContact O-N 3.43Å
725	L	98	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-59.9	-46.8	176.3	-64.1	172.7	0	0	0	111	L720 S721 A722 L729 H730 T731 A733 L736 L800	L720-L725 HydrophobicContact CB-CD2 3.87Å; L720-L725 HydrophobicContact CB-CG 4.17Å; L720-L725 HydrophobicContact CD2-CD2 4.13Å; S721-L725 WeakPolarHBondContact O-CG 3.47Å; S721-L725 PolarHBondContact O-N 3.24Å; S721-L725 VanDerWaalsContact O-N 3.11Å; A722-L725 PolarHBondContact O-N 2.81Å; L725-L729 HydrophobicContact CD2-CD1 3.96Å; L725-L729 CarbonylContact O-C 3.58Å; L725-L729 VanDerWaalsContact O-C 3.32Å; L725-L729 WeakPolarHBondContact O-CA 3.49Å; L725-L729 WeakPolarHBondContact O-CB 3.26Å; L725-L729 PolarHBondContact O-N 3.48Å; L725-H730 PolarHBondContact O-N 3.2Å; L725-T731 CarbonylContact C-O 3.58Å; L725-T731 VanDerWaalsContact C-O 3.24Å; L725-T731 PolarHBondContact O-N 2.96Å; L725-A733 HydrophobicContact CD1-CB 3.91Å; L725-L736 HydrophobicContact CD2-CD1 4.04Å; L725-L800 HydrophobicContact CD1-CB 3.7Å; L725-L800 HydrophobicContact CD2-CB 4.33Å; L725-L800 HydrophobicContact CD2-CD2 4.1Å
726	A	97.2	Very high	97.7	Very high	57 Å²	57	46.4 Å²	46.4	47%	0.471	24%	0.242	S	C	.	.	I	π-helix	trans	-68	-44.2	179.4	0	0	0	0	0	112.3	A722 D723 H730 T731	A722-A726 WeakPolarHBondContact O-CB 3.46Å; A722-A726 PolarHBondContact O-N 3.5Å; D723-A726 PolarHBondContact O-N 3.19Å; A726-H730 WeakPolarHBondContact O-CA 3.49Å; A726-H730 PolarHBondContact O-N 2.99Å; A726-H730 PolarHBondContact O-ND1 3.16Å; A726-T731 PolarHBondContact N-O 2.67Å
727	Q	97.1	Very high	97.7	Very high	139 Å²	139	47.3 Å²	47.3	65%	0.65	25%	0.25	S	C	*	.	I	π-helix	trans	-73.7	-41	-174	-172.9	-177	15.3	0	0	113.1	D723 V724 H730	D723-Q727 WeakPolarHBondContact O-CB 3.33Å; D723-Q727 PolarHBondContact O-N 3.26Å; V724-Q727 PolarHBondContact O-N 2.86Å; Q727-H730 PolarHBondContact O-CE1 2.76Å
728	V	97.2	Very high	97.6	Very high	20 Å²	20	53.4 Å²	53.4	12%	0.121	27%	0.27	C	S	.	.	I	π-helix	trans	-104.3	-40.6	-171.1	-175.1	0	0	0	0	112.4	R576 R579 A580 L583 V724	R576-V728 HydrophobicContact CG-CG1 4.07Å; R579-V728 HydrophobicContact CB-CG1 4.42Å; R579-V728 HydrophobicContact CG-CG1 4.19Å; A580-V728 HydrophobicContact CB-CB 4.24Å; A580-V728 HydrophobicContact CB-CG1 3.93Å; L583-V728 HydrophobicContact CD1-CG2 3.81Å; V724-V728 HydrophobicContact CG1-CG2 4.36Å; V724-V728 WeakPolarHBondContact O-CB 3.12Å; V724-V728 PolarHBondContact O-N 3.43Å
729	L	96.7	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	I	π-helix	trans	-99.8	-9.6	-175.7	-61	-174.3	0	0	0	112.8	R576 A580 L720 L725 T731 A858	R576-L729 HydrophobicContact CG-CD2 4.26Å; A580-L729 HydrophobicContact CB-CD1 4.22Å; A580-L729 HydrophobicContact CB-CD2 4.15Å; A580-L729 HydrophobicContact CB-CG 4.05Å; L720-L729 HydrophobicContact CD2-CD1 4.48Å; L725-L729 HydrophobicContact CD2-CD1 3.96Å; L725-L729 CarbonylContact O-C 3.58Å; L725-L729 VanDerWaalsContact O-C 3.32Å; L725-L729 WeakPolarHBondContact O-CA 3.49Å; L725-L729 WeakPolarHBondContact O-CB 3.26Å; L725-L729 PolarHBondContact O-N 3.48Å; L729-T731 HydrophobicContact CB-CG2 3.91Å; L729-T731 PolarHBondContact O-N 3.39Å; L729-A858 HydrophobicContact CB-CB 3.75Å; L729-A858 HydrophobicContact CD1-CB 4.29Å; L729-A858 HydrophobicContact CD2-CB 4.06Å; L729-A858 HydrophobicContact CG-CB 4.25Å
730	H	96.3	Very high	97.5	Very high	115 Å²	115	51.6 Å²	51.6	53%	0.532	26%	0.263	S	S	.	.	S	Bend	trans	55.6	34.3	178.5	-52.5	-49	0	0	0	113.5	L725 A726 Q727 T862	L725-H730 PolarHBondContact O-N 3.2Å; A726-H730 WeakPolarHBondContact O-CA 3.49Å; A726-H730 PolarHBondContact O-N 2.99Å; A726-H730 PolarHBondContact O-ND1 3.16Å; Q727-H730 PolarHBondContact O-CE1 2.76Å; H730-T862 HydrophobicContact CB-CG2 4.14Å; H730-T862 WeakPolarHBondContact O-CG2 3.36Å
731	T	96.9	Very high	97.4	Very high	10 Å²	10	56.4 Å²	56.4	6%	0.061	29%	0.285	C	S	.	.	S	Bend	trans	-145.5	-174.3	-179.1	-174	0	0	0	0	110.4	L725 A726 L729 L736 A858 D861	L725-T731 CarbonylContact C-O 3.58Å; L725-T731 VanDerWaalsContact C-O 3.24Å; L725-T731 PolarHBondContact O-N 2.96Å; A726-T731 PolarHBondContact N-O 2.67Å; L729-T731 HydrophobicContact CB-CG2 3.91Å; L729-T731 PolarHBondContact O-N 3.39Å; T731-L736 HydrophobicContact CG2-CD1 3.53Å; T731-L736 HydrophobicContact CG2-CD2 3.92Å; T731-L736 HydrophobicContact CG2-CG 3.57Å; T731-A858 HydrophobicContact CG2-CB 4.08Å; T731-D861 VanDerWaalsContact CB-OD2 3.31Å; T731-D861 WeakPolarHBondContact CB-OD2 3.4Å; T731-D861 PolarHBondContact OG1-OD2 3.13Å
732	N	97.2	Very high	97.4	Very high	66 Å²	66	56.8 Å²	56.8	35%	0.353	29%	0.288	S	S	.	.			trans	-131	167.5	175.3	65.5	48.6	0	0	0	111.9	Q734 R735 L736	N732-Q734 PolarHBondContact O-N 3.49Å; N732-Q734 PolarHBondContact OD1-N 2.88Å; N732-Q734 PolarHBondContact OD1-OE1 3.25Å; N732-R735 PolarHBondContact O-N 3.16Å; N732-R735 WeakPolarHBondContact OD1-CB 3.46Å; N732-R735 VanDerWaalsContact OD1-CG 3.27Å; N732-R735 WeakPolarHBondContact OD1-CG 3.2Å; N732-R735 PolarHBondContact OD1-N 3.23Å; N732-L736 PolarHBondContact O-N 2.94Å; N732-L736 VanDerWaalsContact O-N 3.16Å
733	A	98.1	Very high	97.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-44.5	-174.8	0	0	0	0	0	112.5	L725 R735 L736 A737 V793 D798 L800	L725-A733 HydrophobicContact CD1-CB 3.91Å; A733-R735 PolarHBondContact O-N 3.07Å; A733-L736 PolarHBondContact O-N 2.9Å; A733-A737 WeakPolarHBondContact O-CB 3.22Å; A733-A737 PolarHBondContact O-N 2.8Å; A733-V793 HydrophobicContact CB-CB 4.42Å; A733-V793 HydrophobicContact CB-CG1 3.97Å; A733-V793 HydrophobicContact CB-CG2 4.01Å; A733-D798 WeakPolarHBondContact CB-O 3.35Å; A733-L800 HydrophobicContact CB-CB 3.87Å; A733-L800 HydrophobicContact CB-CD1 4.01Å
734	Q	97.2	Very high	97.2	Very high	79 Å²	79	52.3 Å²	52.3	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-40.4	-176.8	-61.3	81.6	0.6	0	0	112.2	N732 R738 V793 D798	N732-Q734 PolarHBondContact O-N 3.49Å; N732-Q734 PolarHBondContact OD1-N 2.88Å; N732-Q734 PolarHBondContact OD1-OE1 3.25Å; Q734-R738 VanDerWaalsContact O-CB 3.26Å; Q734-R738 WeakPolarHBondContact O-CB 3.33Å; Q734-R738 PolarHBondContact O-N 3.35Å; Q734-V793 HydrophobicContact CG-CG1 4.31Å; Q734-V793 HydrophobicContact CG-CG2 4.29Å; Q734-D798 PolarHBondContact NE2-OD1 3.21Å
735	R	97.4	Very high	97	Very high	117 Å²	117	56.7 Å²	56.7	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-47.6	176.8	-74.1	179.1	68.1	161.5	0.2	111.2	N732 A733 R738 L739 D861	N732-R735 PolarHBondContact O-N 3.16Å; N732-R735 WeakPolarHBondContact OD1-CB 3.46Å; N732-R735 VanDerWaalsContact OD1-CG 3.27Å; N732-R735 WeakPolarHBondContact OD1-CG 3.2Å; N732-R735 PolarHBondContact OD1-N 3.23Å; A733-R735 PolarHBondContact O-N 3.07Å; R735-R738 PolarHBondContact O-N 3.41Å; R735-L739 WeakPolarHBondContact O-CB 3.27Å; R735-L739 PolarHBondContact O-N 2.83Å; R735-D861 IonicContact CZ-OD1 3.85Å; R735-D861 IonicContact CZ-OD2 2.83Å; R735-D861 VanDerWaalsContact NE-CG 3.32Å; R735-D861 IonicContact NE-OD1 3.46Å; R735-D861 PolarHBondContact NE-OD1 2.83Å; R735-D861 IonicContact NE-OD2 3.38Å; R735-D861 PolarHBondContact NE-OD2 3.24Å; R735-D861 VanDerWaalsContact NH2-CG 3.28Å; R735-D861 PolarHBondContact NH2-O 2.63Å; R735-D861 IonicContact NH2-OD1 2.68Å; R735-D861 PolarHBondContact NH2-OD1 2.67Å; R735-D861 IonicContact NH2-OD2 2.71Å; R735-D861 PolarHBondContact NH2-OD2 3.34Å; R735-D861 VanDerWaalsContact NH2-OD2 3.14Å
736	L	98.1	Very high	96.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-46.5	177.5	-77.3	179.5	0	0	0	112.5	L725 T731 N732 A733 R738 L739 T740 L791 L800 M857 A858	L725-L736 HydrophobicContact CD2-CD1 4.04Å; T731-L736 HydrophobicContact CG2-CD1 3.53Å; T731-L736 HydrophobicContact CG2-CD2 3.92Å; T731-L736 HydrophobicContact CG2-CG 3.57Å; N732-L736 PolarHBondContact O-N 2.94Å; N732-L736 VanDerWaalsContact O-N 3.16Å; A733-L736 PolarHBondContact O-N 2.9Å; L736-R738 PolarHBondContact O-N 2.96Å; L736-L739 PolarHBondContact O-N 2.68Å; L736-T740 WeakPolarHBondContact O-CB 3.34Å; L736-T740 PolarHBondContact O-N 2.79Å; L736-T740 PolarHBondContact O-OG1 2.76Å; L736-T740 VanDerWaalsContact O-OG1 3.07Å; L736-L791 HydrophobicContact CB-CD1 3.94Å; L736-L800 HydrophobicContact CB-CD2 4.34Å; L736-L800 HydrophobicContact CD1-CD2 3.77Å; L736-M857 HydrophobicContact CD2-CB 4.09Å; L736-A858 HydrophobicContact CD2-CB 4.28Å
737	A	97.9	Very high	96.8	Very high	20 Å²	20	59.1 Å²	59.1	17%	0.165	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-45.6	177.3	0	0	0	0	0	111.5	A733 L739 T740 H741 L791 V793	A733-A737 WeakPolarHBondContact O-CB 3.22Å; A733-A737 PolarHBondContact O-N 2.8Å; A737-L739 PolarHBondContact O-N 3.32Å; A737-T740 PolarHBondContact O-N 2.86Å; A737-H741 WeakPolarHBondContact O-CB 3.32Å; A737-H741 PolarHBondContact O-N 2.79Å; A737-L791 WeakPolarHBondContact CB-O 3.49Å; A737-V793 HydrophobicContact CB-CG2 3.73Å
738	R	97.8	Very high	96.7	Very high	194 Å²	194	53.3 Å²	53.3	73%	0.732	26%	0.256	S	S	*	.	H	α-helix	trans	-61.9	-43.7	176.3	-178.2	178.8	178.6	-180	-0.4	112.2	Q734 R735 L736 S742	Q734-R738 VanDerWaalsContact O-CB 3.26Å; Q734-R738 WeakPolarHBondContact O-CB 3.33Å; Q734-R738 PolarHBondContact O-N 3.35Å; R735-R738 PolarHBondContact O-N 3.41Å; L736-R738 PolarHBondContact O-N 2.96Å; R738-S742 WeakPolarHBondContact O-CB 3.2Å; R738-S742 PolarHBondContact O-N 2.92Å; R738-S742 PolarHBondContact O-OG 3.38Å
739	L	97.5	Very high	96.5	Very high	41 Å²	41	56 Å²	56	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-45.5	178.6	179.8	62.3	0	0	0	111	R735 L736 A737 H741 S742 K743 M857 L860 D861	R735-L739 WeakPolarHBondContact O-CB 3.27Å; R735-L739 PolarHBondContact O-N 2.83Å; L736-L739 PolarHBondContact O-N 2.68Å; A737-L739 PolarHBondContact O-N 3.32Å; L739-H741 PolarHBondContact O-N 2.84Å; L739-S742 PolarHBondContact O-N 2.65Å; L739-K743 HydrophobicContact CD1-CB 4.44Å; L739-K743 VanDerWaalsContact O-CB 3.3Å; L739-K743 WeakPolarHBondContact O-CB 3.4Å; L739-K743 PolarHBondContact O-N 2.79Å; L739-M857 HydrophobicContact CB-CE 4.27Å; L739-M857 HydrophobicContact CD2-CE 3.97Å; L739-M857 VanDerWaalsContact CD2-O 3.23Å; L739-M857 WeakPolarHBondContact CD2-O 3.38Å; L739-M857 HydrophobicContact CG-CE 3.63Å; L739-L860 HydrophobicContact CD2-CB 3.95Å; L739-D861 HydrophobicContact CD2-CB 3.89Å
740	T	97.4	Very high	96.4	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.012	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-46.1	177	-63.3	0	0	0	0	112	L736 A737 S742 N744 W745 T789 L791 M857	L736-T740 WeakPolarHBondContact O-CB 3.34Å; L736-T740 PolarHBondContact O-N 2.79Å; L736-T740 PolarHBondContact O-OG1 2.76Å; L736-T740 VanDerWaalsContact O-OG1 3.07Å; A737-T740 PolarHBondContact O-N 2.86Å; T740-S742 VanDerWaalsContact C-N 3.35Å; T740-S742 PolarHBondContact O-N 3.32Å; T740-N744 HydrophobicContact CG2-CB 4.34Å; T740-N744 WeakPolarHBondContact O-CA 3.41Å; T740-N744 WeakPolarHBondContact O-CB 3.3Å; T740-N744 PolarHBondContact O-N 3.38Å; T740-W745 PolarHBondContact O-N 3.25Å; T740-T789 HydrophobicContact CG2-CG2 4.5Å; T740-L791 HydrophobicContact CG2-CB 4.4Å; T740-L791 HydrophobicContact CG2-CG 4.13Å; T740-L791 WeakPolarHBondContact OG1-CD1 3.31Å; T740-L791 WeakPolarHBondContact OG1-CG 3.26Å; T740-M857 VanDerWaalsContact CA-CE 3.45Å; T740-M857 VanDerWaalsContact OG1-CE 3.3Å; T740-M857 WeakPolarHBondContact OG1-CE 3.48Å
741	H	96.4	Very high	96.3	Very high	101 Å²	101	61.9 Å²	61.9	47%	0.468	32%	0.323	S	S	.	.	I	π-helix	trans	-61.3	-43.2	175.2	-176.6	-94.6	0	0	0	111.9	A737 L739 W745 I746	A737-H741 WeakPolarHBondContact O-CB 3.32Å; A737-H741 PolarHBondContact O-N 2.79Å; L739-H741 PolarHBondContact O-N 2.84Å; H741-W745 VanDerWaalsContact O-CB 3.31Å; H741-W745 WeakPolarHBondContact O-CB 3.24Å; H741-W745 PolarHBondContact O-N 3.36Å; H741-I746 PolarHBondContact O-N 3.33Å
742	S	97.3	Very high	96	Very high	55 Å²	55	64.3 Å²	64.3	39%	0.385	35%	0.35	S	S	.	.	I	π-helix	trans	-71.4	-44.2	-177.6	-53.5	0	0	0	0	112.6	R738 L739 T740 I746 G747	R738-S742 WeakPolarHBondContact O-CB 3.2Å; R738-S742 PolarHBondContact O-N 2.92Å; R738-S742 PolarHBondContact O-OG 3.38Å; L739-S742 PolarHBondContact O-N 2.65Å; T740-S742 VanDerWaalsContact C-N 3.35Å; T740-S742 PolarHBondContact O-N 3.32Å; S742-I746 WeakPolarHBondContact O-CB 3.28Å; S742-G747 PolarHBondContact O-N 3.47Å
743	K	95.7	Very high	95.7	Very high	73 Å²	73	63.4 Å²	63.4	32%	0.317	35%	0.349	S	S	.	.	I	π-helix	trans	-84.1	-57.7	-175	-179.2	-173.9	170.4	-62.8	0	112.2	L739 G747 A761 M857 L860	L739-K743 HydrophobicContact CD1-CB 4.44Å; L739-K743 VanDerWaalsContact O-CB 3.3Å; L739-K743 WeakPolarHBondContact O-CB 3.4Å; L739-K743 PolarHBondContact O-N 2.79Å; K743-G747 WeakPolarHBondContact O-CA 3.37Å; K743-G747 PolarHBondContact O-N 3.4Å; K743-A761 VanDerWaalsContact NZ-CA 3.34Å; K743-M857 HydrophobicContact CB-CE 4.47Å; K743-M857 HydrophobicContact CD-CE 4.24Å; K743-M857 HydrophobicContact CD-SD 4Å; K743-L860 HydrophobicContact CD-CD1 3.84Å
744	N	95.9	Very high	94.9	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.365	C	S	.	.	I	π-helix	trans	-83.7	-24	-169.5	-66.2	0.1	0	0	0	112.1	T740 S748 C759 N760	T740-N744 HydrophobicContact CG2-CB 4.34Å; T740-N744 WeakPolarHBondContact O-CA 3.41Å; T740-N744 WeakPolarHBondContact O-CB 3.3Å; T740-N744 PolarHBondContact O-N 3.38Å; N744-S748 VanDerWaalsContact O-CB 3.22Å; N744-S748 WeakPolarHBondContact O-CB 3.17Å; N744-S748 PolarHBondContact O-OG 3.46Å; N744-C759 WeakPolarHBondContact O-CA 3.44Å; N744-N760 PolarHBondContact OD1-O 3.18Å
745	W	93.8	Very high	93.9	Very high	102 Å²	102	64.4 Å²	64.4	39%	0.386	37%	0.37	S	S	.	.	I	π-helix	trans	-101.2	-66.2	178.9	-67.3	47.9	0	0	0	111.4	T740 H741 S748 A749 L788 T789 Q790	T740-W745 PolarHBondContact O-N 3.25Å; H741-W745 VanDerWaalsContact O-CB 3.31Å; H741-W745 WeakPolarHBondContact O-CB 3.24Å; H741-W745 PolarHBondContact O-N 3.36Å; W745-S748 PolarHBondContact O-N 3.35Å; W745-A749 VanDerWaalsContact O-CB 3.27Å; W745-A749 WeakPolarHBondContact O-CB 3.45Å; W745-A749 PolarHBondContact O-N 2.86Å; W745-L788 HydrophobicContact CZ2-CD1 3.89Å; W745-T789 PolarHBondContact NE1-O 3.41Å; W745-Q790 HydrophobicContact CZ2-CG 4.03Å
746	I	95.7	Very high	93	Very high	78 Å²	78	60.9 Å²	60.9	40%	0.4	36%	0.359	S	S	.	.	I	π-helix	trans	-62	-48.8	-179.2	-63.9	173.2	0	0	0	110.4	H741 S742 S748 A749 M750	H741-I746 PolarHBondContact O-N 3.33Å; S742-I746 WeakPolarHBondContact O-CB 3.28Å; I746-S748 PolarHBondContact O-N 3.32Å; I746-A749 PolarHBondContact O-N 3.03Å; I746-M750 HydrophobicContact CG2-CG 4.31Å; I746-M750 HydrophobicContact CG2-SD 4.01Å; I746-M750 WeakPolarHBondContact O-CG 3.32Å; I746-M750 PolarHBondContact O-N 3.37Å
747	G	95.2	Very high	92.1	Very high	30 Å²	30	61.9 Å²	61.9	31%	0.309	36%	0.364	S	S	.	.	I	π-helix	trans	-57.8	-47.5	179	0	0	0	0	0	113	S742 K743 M750 A751	S742-G747 PolarHBondContact O-N 3.47Å; K743-G747 WeakPolarHBondContact O-CA 3.37Å; K743-G747 PolarHBondContact O-N 3.4Å; G747-M750 PolarHBondContact O-N 3.12Å; G747-A751 WeakPolarHBondContact O-CB 3.18Å; G747-A751 PolarHBondContact O-N 3.3Å
748	S	94.5	Very high	91.4	Very high	16 Å²	16	62 Å²	62	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-67.8	-34.9	178.3	-55.7	0	0	0	0	112.8	N744 W745 I746 A751 G752 C753 G758	N744-S748 VanDerWaalsContact O-CB 3.22Å; N744-S748 WeakPolarHBondContact O-CB 3.17Å; N744-S748 PolarHBondContact O-OG 3.46Å; W745-S748 PolarHBondContact O-N 3.35Å; I746-S748 PolarHBondContact O-N 3.32Å; S748-A751 PolarHBondContact O-N 3.38Å; S748-G752 PolarHBondContact O-N 3.31Å; S748-C753 PolarHBondContact O-N 2.96Å; S748-C753 VanDerWaalsContact O-N 3.12Å; S748-C753 PolarHBondContact O-SG 3.45Å; S748-G758 WeakPolarHBondContact CB-O 3.18Å; S748-G758 PolarHBondContact OG-O 2.92Å
749	A	93.5	Very high	91.3	Very high	76 Å²	76	53.8 Å²	53.8	63%	0.628	34%	0.34	S	S	*	.	H	α-helix	trans	-64.7	-43.4	172.2	0	0	0	0	0	111.9	W745 I746 A751 G752	W745-A749 VanDerWaalsContact O-CB 3.27Å; W745-A749 WeakPolarHBondContact O-CB 3.45Å; W745-A749 PolarHBondContact O-N 2.86Å; I746-A749 PolarHBondContact O-N 3.03Å; A749-A751 VanDerWaalsContact C-N 3.27Å; A749-A751 PolarHBondContact O-N 3.49Å; A749-G752 PolarHBondContact O-N 2.99Å; A749-G752 VanDerWaalsContact O-N 3.12Å
750	M	94.8	Very high	91.2	Very high	163 Å²	163	52.9 Å²	52.9	80%	0.803	34%	0.335	S	S	*	.	H	α-helix	trans	-63.2	-33.4	175.2	-72.2	-178.1	67.8	0	0	112.4	I746 G747 G752	I746-M750 HydrophobicContact CG2-CG 4.31Å; I746-M750 HydrophobicContact CG2-SD 4.01Å; I746-M750 WeakPolarHBondContact O-CG 3.32Å; I746-M750 PolarHBondContact O-N 3.37Å; G747-M750 PolarHBondContact O-N 3.12Å; M750-G752 PolarHBondContact O-N 3.31Å
751	A	93.3	Very high	91.1	Very high	76 Å²	76	53.9 Å²	53.9	63%	0.628	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.8	176.2	0	0	0	0	0	113.8	G747 S748 A749	G747-A751 WeakPolarHBondContact O-CB 3.18Å; G747-A751 PolarHBondContact O-N 3.3Å; S748-A751 PolarHBondContact O-N 3.38Å; A749-A751 VanDerWaalsContact C-N 3.27Å; A749-A751 PolarHBondContact O-N 3.49Å
752	G	92	Very high	91.1	Very high	61 Å²	61	50.3 Å²	50.3	63%	0.629	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	29.1	-178.5	0	0	0	0	0	113.6	S748 A749 M750	S748-G752 PolarHBondContact O-N 3.31Å; A749-G752 PolarHBondContact O-N 2.99Å; A749-G752 VanDerWaalsContact O-N 3.12Å; M750-G752 PolarHBondContact O-N 3.31Å
753	C	89.3	Confident	91.1	Very high	48 Å²	48	47.7 Å²	47.7	32%	0.324	31%	0.308	S	S	.	.			trans	-65.5	132.9	179.7	-56.7	0	0	0	0	111.3	S748 G755 M757	S748-C753 PolarHBondContact O-N 2.96Å; S748-C753 VanDerWaalsContact O-N 3.12Å; S748-C753 PolarHBondContact O-SG 3.45Å; C753-G755 PolarHBondContact O-N 3.29Å; C753-M757 WeakPolarHBondContact CB-O 3.34Å
754	P	81.1	Confident	91.2	Very high	53 Å²	53	45.9 Å²	45.9	34%	0.344	31%	0.308	S	S	.	.			trans	-77.3	112.4	-170.3	28.2	-33.7	0	0	0	112.9	P701 M757	P701-P754 HydrophobicContact CB-CG 4.36Å; P754-M757 HydrophobicContact CG-CB 4.01Å; P754-M757 HydrophobicContact CG-CG 4.3Å; P754-M757 WeakPolarHBondContact O-CB 3.36Å; P754-M757 PolarHBondContact O-N 3.39Å
755	G	76.6	Confident	91.3	Very high	46 Å²	46	48.9 Å²	48.9	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-132.1	176.9	0	0	0	0	0	112.3	C753 M757	C753-G755 PolarHBondContact O-N 3.29Å; G755-M757 VanDerWaalsContact C-N 3.25Å
756	M	79.3	Confident	91.5	Very high	44 Å²	44	44 Å²	44	22%	0.217	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.2	176.5	-60.9	168.5	72	0	0	113.4	T706 G758 C759 L788 T805 P807	T706-M756 HydrophobicContact CG2-CB 4.29Å; M756-G758 PolarHBondContact O-N 2.93Å; M756-G758 VanDerWaalsContact O-N 3.08Å; M756-C759 PolarHBondContact O-N 3.09Å; M756-L788 HydrophobicContact CE-CB 3.35Å; M756-L788 HydrophobicContact CE-CD2 3.84Å; M756-L788 HydrophobicContact CE-CG 4.24Å; M756-T805 HydrophobicContact CE-CG2 3.75Å; M756-P807 HydrophobicContact CE-CG 4.47Å; M756-P807 HydrophobicContact SD-CG 4.32Å
757	M	79.1	Confident	91.6	Very high	21 Å²	21	40.3 Å²	40.3	10%	0.103	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	109.8	179.7	-158.7	93.8	51.9	0	0	107.4	P701 T706 C753 P754 G755 S786	P701-M757 HydrophobicContact CB-CE 3.43Å; P701-M757 VanDerWaalsContact CB-CE 3.43Å; P701-M757 HydrophobicContact CB-CG 3.9Å; P701-M757 HydrophobicContact CB-SD 3.6Å; P701-M757 VanDerWaalsContact CB-SD 3.6Å; T706-M757 HydrophobicContact CG2-CE 4.22Å; C753-M757 WeakPolarHBondContact CB-O 3.34Å; P754-M757 HydrophobicContact CG-CB 4.01Å; P754-M757 HydrophobicContact CG-CG 4.3Å; P754-M757 WeakPolarHBondContact O-CB 3.36Å; P754-M757 PolarHBondContact O-N 3.39Å; G755-M757 VanDerWaalsContact C-N 3.25Å; M757-S786 PolarHBondContact SD-OG 3.24Å
758	G	82.9	Confident	91.8	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.4	2.1	178.1	0	0	0	0	0	116.4	S748 M756 N760	S748-G758 WeakPolarHBondContact CB-O 3.18Å; S748-G758 PolarHBondContact OG-O 2.92Å; M756-G758 PolarHBondContact O-N 2.93Å; M756-G758 VanDerWaalsContact O-N 3.08Å; G758-N760 PolarHBondContact O-N 2.9Å
759	C	94.9	Very high	92	Very high	21 Å²	21	40 Å²	40	14%	0.142	28%	0.282	C	S	.	.			trans	-77.4	38.7	171.5	-63.5	0	0	0	0	113.2	N744 M756 C787 L788 T789	N744-C759 WeakPolarHBondContact O-CA 3.44Å; M756-C759 PolarHBondContact O-N 3.09Å; C759-C787 CarbonylContact C-O 3.57Å; C759-C787 VanDerWaalsContact C-O 3.27Å; C759-L788 HydrophobicContact CB-CD1 3.57Å; C759-T789 PolarHBondContact O-N 3.25Å
760	N	96.6	Very high	92.2	Very high	21 Å²	21	36.4 Å²	36.4	11%	0.112	25%	0.252	C	S	.	.	S	Bend	trans	-142.4	175.2	-177.3	63.1	87.8	0	0	0	110.1	N744 G758 A763 S785 C787 E853	N744-N760 PolarHBondContact OD1-O 3.18Å; G758-N760 PolarHBondContact O-N 2.9Å; N760-A763 HydrophobicContact CB-CB 4.24Å; N760-A763 WeakPolarHBondContact OD1-CB 3.5Å; N760-A763 PolarHBondContact OD1-N 3.44Å; N760-A763 VanDerWaalsContact OD1-N 3.11Å; N760-S785 PolarHBondContact ND2-O 2.86Å; N760-C787 HydrophobicContact CB-CB 3.96Å; N760-C787 PolarHBondContact ND2-O 2.84Å; N760-C787 VanDerWaalsContact ND2-O 3.08Å; N760-E853 WeakPolarHBondContact CA-OE2 3.49Å; N760-E853 WeakPolarHBondContact CB-OE2 3.42Å
761	A	95.4	Very high	92.4	Very high	23 Å²	23	28.7 Å²	28.7	19%	0.19	21%	0.214	C	C	.	.	S	Bend	trans	-92.6	-48.4	-179.8	0	0	0	0	0	113.4	K743 E853 L856 M857	K743-A761 VanDerWaalsContact NZ-CA 3.34Å; A761-E853 WeakPolarHBondContact CA-OE1 3.42Å; A761-E853 WeakPolarHBondContact CB-OE1 3.47Å; A761-E853 VanDerWaalsContact N-CD 3.27Å; A761-E853 PolarHBondContact N-OE1 3.07Å; A761-E853 PolarHBondContact N-OE2 2.89Å; A761-L856 HydrophobicContact CB-CD2 3.71Å; A761-L856 HydrophobicContact CB-CG 4.33Å; A761-M857 HydrophobicContact CB-CG 4.42Å; A761-M857 HydrophobicContact CB-SD 3.79Å
762	H	96.1	Very high	92.7	Very high	26 Å²	26	26 Å²	26	12%	0.12	19%	0.193	C	C	.	.	S	Bend	trans	-163.2	35.3	-174.8	68.2	-29.2	0	0	0	112.8	A764 N765 A852 E853 L856	H762-A764 PolarHBondContact O-N 3.02Å; H762-N765 PolarHBondContact O-N 3.14Å; H762-A852 PolarHBondContact CE1-O 3.11Å; H762-A852 VanDerWaalsContact CE1-O 3.3Å; H762-E853 IonicContact CE1-OE1 3.69Å; H762-E853 IonicContact CG-OE1 3.19Å; H762-E853 PolarHBondContact N-OE1 3.26Å; H762-E853 IonicContact ND1-OE1 3.22Å; H762-E853 PolarHBondContact ND1-OE1 3.19Å; H762-L856 HydrophobicContact CB-CD2 3.8Å; H762-L856 WeakPolarHBondContact ND1-CD2 3.19Å
763	A	97.7	Very high	93	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-50.9	-37.1	-178.9	0	0	0	0	0	111.9	N760 N765 I766 I767 C787 V849 E853	N760-A763 HydrophobicContact CB-CB 4.24Å; N760-A763 WeakPolarHBondContact OD1-CB 3.5Å; N760-A763 PolarHBondContact OD1-N 3.44Å; N760-A763 VanDerWaalsContact OD1-N 3.11Å; A763-N765 VanDerWaalsContact C-N 3.29Å; A763-N765 PolarHBondContact O-N 3.1Å; A763-I766 PolarHBondContact O-N 3.09Å; A763-I766 VanDerWaalsContact O-N 3.13Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 2.78Å; A763-C787 HydrophobicContact CB-CB 3.87Å; A763-V849 HydrophobicContact CB-CG1 3.74Å; A763-E853 PolarHBondContact N-OE1 3.23Å
764	A	97.2	Very high	93.4	Very high	36 Å²	36	21 Å²	21	30%	0.298	15%	0.149	S	C	.	.	H	α-helix	trans	-55.2	-35.6	177.9	0	0	0	0	0	114.9	H762 I766 I767 A768 V781 S785	H762-A764 PolarHBondContact O-N 3.02Å; A764-I766 VanDerWaalsContact C-N 3.33Å; A764-I766 PolarHBondContact O-N 2.93Å; A764-I767 PolarHBondContact O-N 3.49Å; A764-A768 VanDerWaalsContact O-CB 3.22Å; A764-A768 WeakPolarHBondContact O-CB 3.49Å; A764-A768 PolarHBondContact O-N 3.02Å; A764-V781 HydrophobicContact CB-CG1 4.19Å; A764-S785 WeakPolarHBondContact CA-OG 3.43Å; A764-S785 VanDerWaalsContact CB-OG 3.29Å; A764-S785 WeakPolarHBondContact CB-OG 3.33Å
765	N	97.6	Very high	94.2	Very high	62 Å²	62	19.2 Å²	19.2	33%	0.332	14%	0.139	S	C	.	.	H	α-helix	trans	-65.2	-40.7	179.5	-74	35.7	0	0	0	111	E567 L570 H762 A763 G769	E567-N765 PolarHBondContact OE2-ND2 3.42Å; L570-N765 HydrophobicContact CD1-CB 4.03Å; L570-N765 HydrophobicContact CD2-CB 4Å; H762-N765 PolarHBondContact O-N 3.14Å; A763-N765 VanDerWaalsContact C-N 3.29Å; A763-N765 PolarHBondContact O-N 3.1Å; N765-G769 PolarHBondContact O-N 3.02Å; N765-G769 VanDerWaalsContact O-N 3.14Å
766	I	98.6	Very high	95.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71.6	-45.8	178.6	-55.7	-55.3	0	0	0	110.7	L570 T574 A763 A764 G769 M770 T848 V849 A852	L570-I766 HydrophobicContact CD1-CD1 3.83Å; L570-I766 HydrophobicContact CG-CD1 4.19Å; T574-I766 HydrophobicContact CG2-CD1 4.47Å; T574-I766 WeakPolarHBondContact OG1-CD1 3.39Å; A763-I766 PolarHBondContact O-N 3.09Å; A763-I766 VanDerWaalsContact O-N 3.13Å; A764-I766 VanDerWaalsContact C-N 3.33Å; A764-I766 PolarHBondContact O-N 2.93Å; I766-G769 PolarHBondContact O-N 3.41Å; I766-M770 HydrophobicContact CG2-CG 4.45Å; I766-M770 HydrophobicContact CG2-SD 4.04Å; I766-M770 WeakPolarHBondContact O-CB 3.47Å; I766-M770 WeakPolarHBondContact O-CG 3.47Å; I766-M770 PolarHBondContact O-N 3.28Å; I766-T848 HydrophobicContact CG2-CG2 3.61Å; I766-V849 HydrophobicContact CB-CG2 4.01Å; I766-V849 HydrophobicContact CG2-CG2 3.89Å; I766-A852 HydrophobicContact CD1-CB 3.48Å; I766-A852 VanDerWaalsContact CD1-CB 3.48Å; I766-A852 HydrophobicContact CG1-CB 3.41Å; I766-A852 VanDerWaalsContact CG1-CB 3.41Å
767	I	98.6	Very high	96	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-50.7	177.8	-62.6	-54.8	0	0	0	110.5	A763 A764 G769 M770 F771 V781 M806 L809 I845 V849	A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 2.78Å; A764-I767 PolarHBondContact O-N 3.49Å; I767-G769 VanDerWaalsContact C-N 3.35Å; I767-G769 PolarHBondContact O-N 3.32Å; I767-M770 PolarHBondContact O-N 3.35Å; I767-F771 HydrophobicContact CG2-CD1 3.88Å; I767-F771 HydrophobicContact CG2-CD2 4.06Å; I767-F771 HydrophobicContact CG2-CE1 3.63Å; I767-F771 HydrophobicContact CG2-CE2 3.82Å; I767-F771 HydrophobicContact CG2-CG 4.1Å; I767-F771 HydrophobicContact CG2-CZ 3.61Å; I767-F771 WeakPolarHBondContact O-CB 3.48Å; I767-F771 WeakPolarHBondContact O-CD1 3.25Å; I767-F771 WeakPolarHBondContact O-CG 3.47Å; I767-F771 PolarHBondContact O-N 3.49Å; I767-V781 HydrophobicContact CG2-CB 4.41Å; I767-V781 HydrophobicContact CG2-CG1 4.42Å; I767-V781 HydrophobicContact CG2-CG2 4.07Å; I767-M806 HydrophobicContact CD1-CE 3.8Å; I767-M806 HydrophobicContact CG1-CE 4.13Å; I767-L809 HydrophobicContact CD1-CD2 3.77Å; I767-I845 HydrophobicContact CD1-CG2 3.14Å; I767-V849 HydrophobicContact CD1-CG2 3.84Å; I767-V849 HydrophobicContact CG1-CG2 4.3Å
768	A	98.6	Very high	96.8	Very high	37 Å²	37	22.1 Å²	22.1	31%	0.306	14%	0.144	S	C	.	.	H	α-helix	trans	-58.5	-45.5	179	0	0	0	0	0	112.1	A764 F771 A772 V781	A764-A768 VanDerWaalsContact O-CB 3.22Å; A764-A768 WeakPolarHBondContact O-CB 3.49Å; A764-A768 PolarHBondContact O-N 3.02Å; A768-F771 PolarHBondContact O-N 2.97Å; A768-A772 WeakPolarHBondContact O-CB 3.39Å; A768-A772 PolarHBondContact O-N 3.33Å; A768-V781 HydrophobicContact CB-CG1 4.31Å; A768-V781 HydrophobicContact CB-CG2 3.92Å
769	G	98.6	Very high	97.5	Very high	4 Å²	4	23 Å²	23	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-69.1	-38.3	-177.8	0	0	0	0	0	113.9	A564 N765 I766 I767 A773	A564-G769 PolarHBondContact N-O 3.45Å; A564-G769 WeakPolarHBondContact O-CA 3.36Å; N765-G769 PolarHBondContact O-N 3.02Å; N765-G769 VanDerWaalsContact O-N 3.14Å; I766-G769 PolarHBondContact O-N 3.41Å; I767-G769 VanDerWaalsContact C-N 3.35Å; I767-G769 PolarHBondContact O-N 3.32Å; G769-A773 WeakPolarHBondContact O-CB 3.27Å; G769-A773 PolarHBondContact O-N 2.99Å; G769-A773 VanDerWaalsContact O-N 3.09Å
770	M	98.8	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.3	-36.4	173.5	-70.3	-174.9	70.1	0	0	111.7	I561 L563 I766 I767 A773 T774 I844 I845 T848	I561-M770 HydrophobicContact CG2-CE 3.62Å; I561-M770 HydrophobicContact CG2-CG 4.08Å; I561-M770 HydrophobicContact CG2-SD 3.84Å; L563-M770 HydrophobicContact CD1-CG 3.88Å; I766-M770 HydrophobicContact CG2-CG 4.45Å; I766-M770 HydrophobicContact CG2-SD 4.04Å; I766-M770 WeakPolarHBondContact O-CB 3.47Å; I766-M770 WeakPolarHBondContact O-CG 3.47Å; I766-M770 PolarHBondContact O-N 3.28Å; I767-M770 PolarHBondContact O-N 3.35Å; M770-A773 PolarHBondContact O-N 3.32Å; M770-T774 WeakPolarHBondContact O-CB 3.49Å; M770-T774 WeakPolarHBondContact O-CG2 3.38Å; M770-T774 PolarHBondContact O-N 3.21Å; M770-T774 PolarHBondContact O-OG1 3.33Å; M770-I844 HydrophobicContact CE-CG2 4.17Å; M770-I845 HydrophobicContact CE-CB 4.29Å; M770-I845 HydrophobicContact CE-CG1 3.38Å; M770-I845 HydrophobicContact SD-CB 4.4Å; M770-I845 HydrophobicContact SD-CG1 3.9Å; M770-T848 HydrophobicContact SD-CG2 3.97Å
771	F	98.7	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-44.7	178.4	-81.5	25.2	0	0	0	111.1	I767 A768 T774 G775 Q776 L778 Q780 V781 V811 I845	I767-F771 HydrophobicContact CG2-CD1 3.88Å; I767-F771 HydrophobicContact CG2-CD2 4.06Å; I767-F771 HydrophobicContact CG2-CE1 3.63Å; I767-F771 HydrophobicContact CG2-CE2 3.82Å; I767-F771 HydrophobicContact CG2-CG 4.1Å; I767-F771 HydrophobicContact CG2-CZ 3.61Å; I767-F771 WeakPolarHBondContact O-CB 3.48Å; I767-F771 WeakPolarHBondContact O-CD1 3.25Å; I767-F771 WeakPolarHBondContact O-CG 3.47Å; I767-F771 PolarHBondContact O-N 3.49Å; A768-F771 PolarHBondContact O-N 2.97Å; F771-T774 PolarHBondContact O-N 3.02Å; F771-G775 PolarHBondContact O-N 3.13Å; F771-Q776 HydrophobicContact CB-CB 3.8Å; F771-Q776 HydrophobicContact CB-CG 4.3Å; F771-Q776 HydrophobicContact CD1-CB 3.97Å; F771-Q776 HydrophobicContact CD1-CG 3.87Å; F771-Q776 HydrophobicContact CD2-CB 3.75Å; F771-Q776 HydrophobicContact CE1-CB 4.46Å; F771-Q776 HydrophobicContact CE1-CG 4.28Å; F771-Q776 HydrophobicContact CE2-CB 4.26Å; F771-Q776 HydrophobicContact CG-CB 3.58Å; F771-Q776 HydrophobicContact CG-CG 4Å; F771-Q776 PolarHBondContact O-N 3.25Å; F771-L778 HydrophobicContact CB-CD2 3.98Å; F771-Q780 HydrophobicContact CE2-CB 4.1Å; F771-V781 HydrophobicContact CD2-CG2 3.98Å; F771-V811 HydrophobicContact CD1-CG1 4.45Å; F771-V811 HydrophobicContact CE1-CG1 3.45Å; F771-V811 VanDerWaalsContact CE1-CG1 3.45Å; F771-V811 HydrophobicContact CZ-CG1 3.61Å; F771-I845 HydrophobicContact CE1-CD1 4.22Å
772	A	98.4	Very high	97.6	Very high	21 Å²	21	23.9 Å²	23.9	17%	0.174	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-42.9	173.7	0	0	0	0	0	112	A564 A768 L778	A564-A772 HydrophobicContact CB-CB 3.83Å; A768-A772 WeakPolarHBondContact O-CB 3.39Å; A768-A772 PolarHBondContact O-N 3.33Å; A772-L778 HydrophobicContact CB-CD2 3.86Å
773	A	98.5	Very high	97.5	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-66.6	-36.2	178.5	0	0	0	0	0	113	P562 A564 G769 M770 Q823 C826	P562-A773 HydrophobicContact CB-CB 4.13Å; P562-A773 HydrophobicContact CG-CB 4.35Å; A564-A773 HydrophobicContact CB-CB 4.09Å; G769-A773 WeakPolarHBondContact O-CB 3.27Å; G769-A773 PolarHBondContact O-N 2.99Å; G769-A773 VanDerWaalsContact O-N 3.09Å; M770-A773 PolarHBondContact O-N 3.32Å; A773-Q823 WeakPolarHBondContact O-CA 3.42Å; A773-C826 WeakPolarHBondContact O-CB 3.27Å; A773-C826 PolarHBondContact O-SG 2.71Å
774	T	98.4	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-105.6	5.3	-171.8	60.2	0	0	0	0	114.5	M770 F771 Q776 C826 L827 L830	M770-T774 WeakPolarHBondContact O-CB 3.49Å; M770-T774 WeakPolarHBondContact O-CG2 3.38Å; M770-T774 PolarHBondContact O-N 3.21Å; M770-T774 PolarHBondContact O-OG1 3.33Å; F771-T774 PolarHBondContact O-N 3.02Å; T774-Q776 PolarHBondContact O-NE2 3.18Å; T774-Q776 WeakPolarHBondContact OG1-CG 3.33Å; T774-Q776 PolarHBondContact OG1-NE2 3.38Å; T774-C826 HydrophobicContact CG2-CB 4.4Å; T774-L827 HydrophobicContact CG2-CD2 3.98Å; T774-L827 HydrophobicContact CG2-CG 4.22Å; T774-L830 HydrophobicContact CG2-CD1 4.18Å
775	G	96.9	Very high	97.4	Very high	14 Å²	14	21.6 Å²	21.6	14%	0.144	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	31.6	174.7	0	0	0	0	0	114.6	F771 G817 T818 Q823	F771-G775 PolarHBondContact O-N 3.13Å; G775-G817 CarbonylContact O-C 3.38Å; G775-G817 VanDerWaalsContact O-C 3.31Å; G775-G817 WeakPolarHBondContact O-CA 3.27Å; G775-T818 PolarHBondContact O-N 3.4Å; G775-Q823 VanDerWaalsContact CA-CG 3.46Å
776	Q	97.9	Very high	97.3	Very high	18 Å²	18	18.7 Å²	18.7	8%	0.084	12%	0.121	C	C	.	.			trans	-81	165.7	171.1	-47.6	-57.9	-42.8	0	0	110.6	F771 T774 L778 V811 G812	F771-Q776 HydrophobicContact CB-CB 3.8Å; F771-Q776 HydrophobicContact CB-CG 4.3Å; F771-Q776 HydrophobicContact CD1-CB 3.97Å; F771-Q776 HydrophobicContact CD1-CG 3.87Å; F771-Q776 HydrophobicContact CD2-CB 3.75Å; F771-Q776 HydrophobicContact CE1-CB 4.46Å; F771-Q776 HydrophobicContact CE1-CG 4.28Å; F771-Q776 HydrophobicContact CE2-CB 4.26Å; F771-Q776 HydrophobicContact CG-CB 3.58Å; F771-Q776 HydrophobicContact CG-CG 4Å; F771-Q776 PolarHBondContact O-N 3.25Å; T774-Q776 PolarHBondContact O-NE2 3.18Å; T774-Q776 WeakPolarHBondContact OG1-CG 3.33Å; T774-Q776 PolarHBondContact OG1-NE2 3.38Å; Q776-L778 PolarHBondContact O-N 2.88Å; Q776-V811 HydrophobicContact CG-CG1 4.33Å; Q776-G812 PolarHBondContact NE2-O 3.26Å; Q776-G812 PolarHBondContact OE1-O 3.27Å
777	D	96.3	Very high	97.2	Very high	56 Å²	56	18.7 Å²	18.7	30%	0.299	12%	0.121	S	C	.	.			trans	-71.6	111.3	174.6	-177.3	-19.5	0	0	0	110	K699 A779 Q780	K699-D777 WeakPolarHBondContact CE-OD2 3.44Å; K699-D777 IonicContact NZ-OD1 3.51Å; K699-D777 PolarHBondContact NZ-OD1 2.92Å; K699-D777 IonicContact NZ-OD2 2.74Å; K699-D777 PolarHBondContact NZ-OD2 3.05Å; D777-A779 PolarHBondContact O-N 2.94Å; D777-A779 WeakPolarHBondContact OD1-CB 3.39Å; D777-A779 PolarHBondContact OD1-N 2.72Å; D777-Q780 HydrophobicContact CB-CG 3.84Å; D777-Q780 WeakPolarHBondContact O-CB 3.11Å; D777-Q780 PolarHBondContact O-N 3.11Å
778	L	97	Very high	97.1	Very high	99 Å²	99	20 Å²	20	52%	0.518	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-60.2	-26.6	-177.4	-64.6	179.8	0	0	0	113.6	F771 A772 Q776 Q780 V781	F771-L778 HydrophobicContact CB-CD2 3.98Å; A772-L778 HydrophobicContact CB-CD2 3.86Å; Q776-L778 PolarHBondContact O-N 2.88Å; L778-Q780 PolarHBondContact O-N 3.38Å; L778-V781 WeakPolarHBondContact O-CB 3.47Å; L778-V781 WeakPolarHBondContact O-CG2 3.32Å; L778-V781 PolarHBondContact O-N 3.01Å
779	A	96.8	Very high	97.1	Very high	41 Å²	41	18.2 Å²	18.2	34%	0.339	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-73.8	-17.5	177.9	0	0	0	0	0	112.5	K699 D777 V781	K699-A779 HydrophobicContact CB-CB 4.26Å; K699-A779 HydrophobicContact CD-CB 3.51Å; K699-A779 HydrophobicContact CG-CB 3.72Å; D777-A779 PolarHBondContact O-N 2.94Å; D777-A779 WeakPolarHBondContact OD1-CB 3.39Å; D777-A779 PolarHBondContact OD1-N 2.72Å; A779-V781 PolarHBondContact O-N 3.47Å
780	Q	96.6	Very high	97	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-77	-3.3	175.2	-57.8	-59	2.7	0	0	113.8	D698 F771 D777 L778 V782 D783 S784 E810	D698-Q780 PolarHBondContact OD1-NE2 3.47Å; D698-Q780 PolarHBondContact OD1-OE1 2.68Å; F771-Q780 HydrophobicContact CE2-CB 4.1Å; D777-Q780 HydrophobicContact CB-CG 3.84Å; D777-Q780 WeakPolarHBondContact O-CB 3.11Å; D777-Q780 PolarHBondContact O-N 3.11Å; L778-Q780 PolarHBondContact O-N 3.38Å; Q780-V782 PolarHBondContact O-N 2.87Å; Q780-V782 VanDerWaalsContact O-N 3.13Å; Q780-D783 PolarHBondContact O-N 3.24Å; Q780-S784 WeakPolarHBondContact O-CB 3.37Å; Q780-S784 PolarHBondContact O-N 3.07Å; Q780-S784 PolarHBondContact O-OG 2.94Å; Q780-S784 VanDerWaalsContact O-OG 3.04Å; Q780-E810 HydrophobicContact CB-CB 4.11Å; Q780-E810 HydrophobicContact CG-CB 4.28Å; Q780-E810 PolarHBondContact OE1-OE1 3.39Å; Q780-E810 VanDerWaalsContact OE1-OE1 3.13Å; Q780-E810 PolarHBondContact OE1-OE2 3.48Å
781	V	97	Very high	97	Very high	25 Å²	25	20.9 Å²	20.9	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-52.6	-33.3	169.3	171.5	0	0	0	0	110.7	A764 I767 A768 F771 L778 A779 S785	A764-V781 HydrophobicContact CB-CG1 4.19Å; I767-V781 HydrophobicContact CG2-CB 4.41Å; I767-V781 HydrophobicContact CG2-CG1 4.42Å; I767-V781 HydrophobicContact CG2-CG2 4.07Å; A768-V781 HydrophobicContact CB-CG1 4.31Å; A768-V781 HydrophobicContact CB-CG2 3.92Å; F771-V781 HydrophobicContact CD2-CG2 3.98Å; L778-V781 WeakPolarHBondContact O-CB 3.47Å; L778-V781 WeakPolarHBondContact O-CG2 3.32Å; L778-V781 PolarHBondContact O-N 3.01Å; A779-V781 PolarHBondContact O-N 3.47Å; V781-S785 WeakPolarHBondContact CG1-OG 3.36Å; V781-S785 WeakPolarHBondContact O-CB 3.22Å; V781-S785 PolarHBondContact O-N 3.3Å; V781-S785 PolarHBondContact O-OG 3.26Å
782	V	94.6	Very high	96.9	Very high	58 Å²	58	26.3 Å²	26.3	35%	0.352	15%	0.151	S	C	.	.	H	α-helix	trans	-57.6	-60.5	-177.2	-177.6	0	0	0	0	112.2	P701 Q780	P701-V782 HydrophobicContact CB-CG1 4.41Å; Q780-V782 PolarHBondContact O-N 2.87Å; Q780-V782 VanDerWaalsContact O-N 3.13Å
783	D	93.9	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-74.1	-39.7	179.2	-87.8	-29.2	0	0	0	111.3	K700 N705 R710 Q780 S785 S786 C808 E810	K700-D783 VanDerWaalsContact O-OD1 3.1Å; N705-D783 PolarHBondContact ND2-OD2 3.29Å; R710-D783 IonicContact NH1-OD2 2.7Å; R710-D783 PolarHBondContact NH1-OD2 2.98Å; Q780-D783 PolarHBondContact O-N 3.24Å; D783-S785 PolarHBondContact O-N 3.19Å; D783-S785 VanDerWaalsContact O-N 3.14Å; D783-S786 WeakPolarHBondContact O-CB 3.47Å; D783-S786 PolarHBondContact O-N 3.03Å; D783-S786 PolarHBondContact O-OG 3.25Å; D783-C808 HydrophobicContact CB-CB 4.16Å; D783-C808 WeakPolarHBondContact O-CB 3.37Å; D783-E810 WeakPolarHBondContact CB-OE2 3.45Å
784	S	96.8	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-19.3	179.3	-64.4	0	0	0	0	113.9	Q780 S786 M806 C808 E810	Q780-S784 WeakPolarHBondContact O-CB 3.37Å; Q780-S784 PolarHBondContact O-N 3.07Å; Q780-S784 PolarHBondContact O-OG 2.94Å; Q780-S784 VanDerWaalsContact O-OG 3.04Å; S784-S786 VanDerWaalsContact C-N 3.31Å; S784-M806 WeakPolarHBondContact O-CE 3.39Å; S784-C808 WeakPolarHBondContact CA-O 3.41Å; S784-C808 PolarHBondContact N-O 2.72Å; S784-C808 PolarHBondContact OG-O 3.09Å; S784-C808 VanDerWaalsContact OG-O 3.07Å; S784-E810 PolarHBondContact OG-N 3.11Å; S784-E810 VanDerWaalsContact OG-N 3.08Å
785	S	96.6	Very high	96.4	Very high	15 Å²	15	37.1 Å²	37.1	11%	0.105	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.9	172.5	-57.2	0	0	0	0	113.9	N760 A764 V781 D783 C787	N760-S785 PolarHBondContact ND2-O 2.86Å; A764-S785 WeakPolarHBondContact CA-OG 3.43Å; A764-S785 VanDerWaalsContact CB-OG 3.29Å; A764-S785 WeakPolarHBondContact CB-OG 3.33Å; V781-S785 WeakPolarHBondContact CG1-OG 3.36Å; V781-S785 WeakPolarHBondContact O-CB 3.22Å; V781-S785 PolarHBondContact O-N 3.3Å; V781-S785 PolarHBondContact O-OG 3.26Å; D783-S785 PolarHBondContact O-N 3.19Å; D783-S785 VanDerWaalsContact O-N 3.14Å; S785-C787 PolarHBondContact O-N 2.84Å
786	S	95.5	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.			trans	-58.4	108.4	167.8	-64.5	0	0	0	0	108.6	M757 D783 S784 M806 P807	M757-S786 PolarHBondContact SD-OG 3.24Å; D783-S786 WeakPolarHBondContact O-CB 3.47Å; D783-S786 PolarHBondContact O-N 3.03Å; D783-S786 PolarHBondContact O-OG 3.25Å; S784-S786 VanDerWaalsContact C-N 3.31Å; S786-M806 WeakPolarHBondContact O-CA 3.48Å; S786-P807 WeakPolarHBondContact O-CD 3.37Å
787	C	97.3	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.251	C	S	.	.			trans	-147.6	127.7	-173.7	-179.8	0	0	0	0	109.2	C759 N760 A763 S785 T805 M806	C759-C787 CarbonylContact C-O 3.57Å; C759-C787 VanDerWaalsContact C-O 3.27Å; N760-C787 HydrophobicContact CB-CB 3.96Å; N760-C787 PolarHBondContact ND2-O 2.84Å; N760-C787 VanDerWaalsContact ND2-O 3.08Å; A763-C787 HydrophobicContact CB-CB 3.87Å; S785-C787 PolarHBondContact O-N 2.84Å; C787-T805 WeakPolarHBondContact CA-O 3.14Å; C787-M806 HydrophobicContact CB-CE 4.2Å; C787-M806 HydrophobicContact CB-CG 4.16Å
788	L	96.8	Very high	95.8	Very high	27 Å²	27	45.8 Å²	45.8	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.4	168	174	64.7	0	0	0	108.8	W745 M756 C759 Q790 V804 T805	W745-L788 HydrophobicContact CZ2-CD1 3.89Å; M756-L788 HydrophobicContact CE-CB 3.35Å; M756-L788 HydrophobicContact CE-CD2 3.84Å; M756-L788 HydrophobicContact CE-CG 4.24Å; C759-L788 HydrophobicContact CB-CD1 3.57Å; L788-Q790 HydrophobicContact CD1-CG 4.33Å; L788-Q790 HydrophobicContact CD2-CG 4.19Å; L788-Q790 HydrophobicContact CG-CG 3.85Å; L788-V804 CarbonylContact O-C 3.52Å; L788-V804 VanDerWaalsContact O-CA 3.31Å; L788-V804 WeakPolarHBondContact O-CA 3.29Å; L788-T805 PolarHBondContact N-O 2.94Å; L788-T805 PolarHBondContact O-N 3.49Å
789	T	98.1	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.2	174.1	-54.8	0	0	0	0	109.4	T740 W745 C759 S803 V804 E853	T740-T789 HydrophobicContact CG2-CG2 4.5Å; W745-T789 PolarHBondContact NE1-O 3.41Å; C759-T789 PolarHBondContact O-N 3.25Å; T789-S803 WeakPolarHBondContact CA-O 3.25Å; T789-V804 HydrophobicContact CG2-CG1 4.4Å; T789-E853 HydrophobicContact CG2-CB 4.27Å; T789-E853 PolarHBondContact OG1-OE2 3.42Å
790	Q	97.1	Very high	95.9	Very high	45 Å²	45	39.4 Å²	39.4	21%	0.21	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.9	178.6	-48	-172.6	-120.9	0	0	109.5	W745 L788 A802 S803	W745-Q790 HydrophobicContact CZ2-CG 4.03Å; L788-Q790 HydrophobicContact CD1-CG 4.33Å; L788-Q790 HydrophobicContact CD2-CG 4.19Å; L788-Q790 HydrophobicContact CG-CG 3.85Å; Q790-A802 WeakPolarHBondContact O-CA 3.49Å; Q790-S803 PolarHBondContact N-O 2.98Å; Q790-S803 PolarHBondContact O-N 3.46Å
791	L	98	Very high	96	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.3	175.5	-60.9	-168.1	0	0	0	107.6	L736 A737 T740 L800 V801 A802 L854	L736-L791 HydrophobicContact CB-CD1 3.94Å; A737-L791 WeakPolarHBondContact CB-O 3.49Å; T740-L791 HydrophobicContact CG2-CB 4.4Å; T740-L791 HydrophobicContact CG2-CG 4.13Å; T740-L791 WeakPolarHBondContact OG1-CD1 3.31Å; T740-L791 WeakPolarHBondContact OG1-CG 3.26Å; L791-L800 HydrophobicContact CB-CD1 3.91Å; L791-L800 HydrophobicContact CD1-CD2 4.25Å; L791-L800 HydrophobicContact CD2-CD2 4.22Å; L791-V801 WeakPolarHBondContact CA-O 3.4Å; L791-A802 HydrophobicContact CD2-CB 3.37Å; L791-L854 HydrophobicContact CD1-CD2 4.41Å; L791-L854 HydrophobicContact CD2-CD2 3.84Å
792	E	97.3	Very high	96.1	Very high	115 Å²	115	39.3 Å²	39.3	54%	0.537	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.6	-177.8	-64.4	-178.7	-170.7	0	0	109.9	L800 V801	E792-L800 CarbonylContact O-C 3.53Å; E792-L800 WeakPolarHBondContact O-CA 3.31Å; E792-L800 VanDerWaalsContact O-CD1 3.3Å; E792-L800 WeakPolarHBondContact O-CD1 3.21Å; E792-V801 HydrophobicContact CB-CB 4.47Å; E792-V801 PolarHBondContact N-O 2.84Å; E792-V801 PolarHBondContact O-N 3.35Å
793	V	98.1	Very high	96.3	Very high	40 Å²	40	37.3 Å²	37.3	24%	0.242	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.9	177.9	-174.4	0	0	0	0	108.2	A733 Q734 A737 L795 S799	A733-V793 HydrophobicContact CB-CB 4.42Å; A733-V793 HydrophobicContact CB-CG1 3.97Å; A733-V793 HydrophobicContact CB-CG2 4.01Å; Q734-V793 HydrophobicContact CG-CG1 4.31Å; Q734-V793 HydrophobicContact CG-CG2 4.29Å; A737-V793 HydrophobicContact CB-CG2 3.73Å; V793-L795 HydrophobicContact CG1-CD2 4.24Å; V793-L795 PolarHBondContact O-N 3.48Å; V793-S799 WeakPolarHBondContact CA-O 3.38Å
794	D	95.1	Very high	96.5	Very high	61 Å²	61	37.3 Å²	37.3	33%	0.326	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.8	164.6	-167.4	-29.6	0	0	0	108.4	S796 D798 S799	D794-S796 VanDerWaalsContact CG-OG 3.28Å; D794-S796 PolarHBondContact O-N 3.26Å; D794-S796 VanDerWaalsContact OD1-CB 3.28Å; D794-S796 WeakPolarHBondContact OD1-CB 3.46Å; D794-S796 PolarHBondContact OD1-N 2.87Å; D794-S796 PolarHBondContact OD1-OG 3.43Å; D794-D798 VanDerWaalsContact O-CA 3.3Å; D794-D798 WeakPolarHBondContact O-CA 3.46Å; D794-D798 PolarHBondContact O-N 3Å; D794-S799 WeakPolarHBondContact CB-OG 3.48Å; D794-S799 PolarHBondContact N-O 3.31Å
795	L	90.1	Very high	96.5	Very high	150 Å²	150	38.2 Å²	38.2	79%	0.785	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.1	-177.6	-63.3	176	0	0	0	113.1	V793	V793-L795 HydrophobicContact CG1-CD2 4.24Å; V793-L795 PolarHBondContact O-N 3.48Å
796	S	93.1	Very high	96.6	Very high	100 Å²	100	37.5 Å²	37.5	70%	0.699	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-30.8	179.9	68.6	0	0	0	0	112.9	D794	D794-S796 VanDerWaalsContact CG-OG 3.28Å; D794-S796 PolarHBondContact O-N 3.26Å; D794-S796 VanDerWaalsContact OD1-CB 3.28Å; D794-S796 WeakPolarHBondContact OD1-CB 3.46Å; D794-S796 PolarHBondContact OD1-N 2.87Å; D794-S796 PolarHBondContact OD1-OG 3.43Å
797	D	93.3	Very high	96.6	Very high	89 Å²	89	37.5 Å²	37.5	48%	0.476	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.4	10.9	-175.4	70.2	-12.8	0	0	0	114.3	S799	D797-S799 PolarHBondContact O-N 2.96Å; D797-S799 VanDerWaalsContact O-N 3.13Å; D797-S799 WeakPolarHBondContact OD1-CB 3.45Å; D797-S799 PolarHBondContact OD1-N 3.44Å; D797-S799 PolarHBondContact OD1-OG 3.48Å; D797-S799 WeakPolarHBondContact OD2-CB 3.47Å; D797-S799 PolarHBondContact OD2-OG 3.31Å
798	D	93.4	Very high	96.6	Very high	81 Å²	81	37.5 Å²	37.5	43%	0.433	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	23.8	-175.1	-73.5	-36.4	0	0	0	113.5	A733 Q734 D794	A733-D798 WeakPolarHBondContact CB-O 3.35Å; Q734-D798 PolarHBondContact NE2-OD1 3.21Å; D794-D798 VanDerWaalsContact O-CA 3.3Å; D794-D798 WeakPolarHBondContact O-CA 3.46Å; D794-D798 PolarHBondContact O-N 3Å
799	S	97.3	Very high	96.6	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	167.5	173.7	72.5	0	0	0	0	111.9	L720 V793 D794 D797	L720-S799 WeakPolarHBondContact O-CA 3.32Å; L720-S799 VanDerWaalsContact O-CB 3.29Å; L720-S799 WeakPolarHBondContact O-CB 3.34Å; V793-S799 WeakPolarHBondContact CA-O 3.38Å; D794-S799 WeakPolarHBondContact CB-OG 3.48Å; D794-S799 PolarHBondContact N-O 3.31Å; D797-S799 PolarHBondContact O-N 2.96Å; D797-S799 VanDerWaalsContact O-N 3.13Å; D797-S799 WeakPolarHBondContact OD1-CB 3.45Å; D797-S799 PolarHBondContact OD1-N 3.44Å; D797-S799 PolarHBondContact OD1-OG 3.48Å; D797-S799 WeakPolarHBondContact OD2-CB 3.47Å; D797-S799 PolarHBondContact OD2-OG 3.31Å
800	L	98.4	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.3	178.3	-174.9	76.1	0	0	0	110.4	L720 L725 A733 L736 L791 E792 A802 L854	L720-L800 HydrophobicContact CB-CB 4.47Å; L720-L800 PolarHBondContact N-O 2.8Å; L720-L800 PolarHBondContact O-N 3.07Å; L725-L800 HydrophobicContact CD1-CB 3.7Å; L725-L800 HydrophobicContact CD2-CB 4.33Å; L725-L800 HydrophobicContact CD2-CD2 4.1Å; A733-L800 HydrophobicContact CB-CB 3.87Å; A733-L800 HydrophobicContact CB-CD1 4.01Å; L736-L800 HydrophobicContact CB-CD2 4.34Å; L736-L800 HydrophobicContact CD1-CD2 3.77Å; L791-L800 HydrophobicContact CB-CD1 3.91Å; L791-L800 HydrophobicContact CD1-CD2 4.25Å; L791-L800 HydrophobicContact CD2-CD2 4.22Å; E792-L800 CarbonylContact O-C 3.53Å; E792-L800 WeakPolarHBondContact O-CA 3.31Å; E792-L800 VanDerWaalsContact O-CD1 3.3Å; E792-L800 WeakPolarHBondContact O-CD1 3.21Å; L800-A802 HydrophobicContact CD2-CB 4.43Å; L800-L854 HydrophobicContact CD2-CD2 3.97Å
801	V	98.3	Very high	96.7	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.145	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.2	165.8	-172.4	0	0	0	0	108	E717 L791 E792	E717-V801 HydrophobicContact CG-CG1 4Å; L791-V801 WeakPolarHBondContact CA-O 3.4Å; E792-V801 HydrophobicContact CB-CB 4.47Å; E792-V801 PolarHBondContact N-O 2.84Å; E792-V801 PolarHBondContact O-N 3.35Å
802	A	98.5	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.5	-176	0	0	0	0	0	110.2	E717 A718 L720 Q790 L791 L800 L850 L854	E717-A802 CarbonylContact C-O 3.59Å; E717-A802 VanDerWaalsContact CA-O 3.29Å; E717-A802 WeakPolarHBondContact CA-O 3.38Å; A718-A802 PolarHBondContact N-O 3.21Å; A718-A802 PolarHBondContact O-N 2.71Å; L720-A802 HydrophobicContact CD1-CB 3.83Å; Q790-A802 WeakPolarHBondContact O-CA 3.49Å; L791-A802 HydrophobicContact CD2-CB 3.37Å; L800-A802 HydrophobicContact CD2-CB 4.43Å; A802-L850 HydrophobicContact CB-CD1 3.99Å; A802-L854 HydrophobicContact CB-CD1 4.05Å; A802-L854 HydrophobicContact CB-CD2 3.76Å; A802-L854 HydrophobicContact CB-CG 4.22Å
803	S	98.4	Very high	96.7	Very high	16 Å²	16	28.6 Å²	28.6	11%	0.112	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.7	178.6	68.2	0	0	0	0	113.4	A716 T789 Q790	A716-S803 CarbonylContact O-C 3.57Å; A716-S803 WeakPolarHBondContact O-CA 3.11Å; A716-S803 WeakPolarHBondContact O-CB 3.22Å; T789-S803 WeakPolarHBondContact CA-O 3.25Å; Q790-S803 PolarHBondContact N-O 2.98Å; Q790-S803 PolarHBondContact O-N 3.46Å
804	V	98.5	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.7	167.5	-67.3	0	0	0	0	109.6	I715 A716 L788 T789 A846 V849 L850	I715-V804 WeakPolarHBondContact CA-O 3.47Å; A716-V804 HydrophobicContact CB-CG2 3.93Å; A716-V804 PolarHBondContact N-O 2.95Å; A716-V804 PolarHBondContact O-N 3.35Å; L788-V804 CarbonylContact O-C 3.52Å; L788-V804 VanDerWaalsContact O-CA 3.31Å; L788-V804 WeakPolarHBondContact O-CA 3.29Å; T789-V804 HydrophobicContact CG2-CG1 4.4Å; V804-A846 HydrophobicContact CG2-CB 4.42Å; V804-A846 WeakPolarHBondContact CG2-O 3.41Å; V804-V849 HydrophobicContact CG1-CG1 4.39Å; V804-L850 HydrophobicContact CG1-CB 4.18Å; V804-L850 HydrophobicContact CG1-CD1 3.94Å; V804-L850 HydrophobicContact CG2-CB 3.89Å
805	T	98.2	Very high	96.3	Very high	18 Å²	18	29.1 Å²	29.1	11%	0.11	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.3	170.3	-57.9	0	0	0	0	109.3	Y592 I715 M756 C787 L788 P807	Y592-T805 HydrophobicContact CE1-CG2 4.16Å; I715-T805 HydrophobicContact CG1-CG2 3.94Å; M756-T805 HydrophobicContact CE-CG2 3.75Å; C787-T805 WeakPolarHBondContact CA-O 3.14Å; L788-T805 PolarHBondContact N-O 2.94Å; L788-T805 PolarHBondContact O-N 3.49Å; T805-P807 WeakPolarHBondContact O-CD 3.42Å
806	M	97.9	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	94	-176.7	-58.1	-165.7	71.4	0	0	109.7	S713 V714 I767 S784 S786 C787 C808 L809 A846 V849	S713-M806 WeakPolarHBondContact CA-O 3.42Å; V714-M806 PolarHBondContact N-O 3Å; V714-M806 PolarHBondContact O-N 3.36Å; I767-M806 HydrophobicContact CD1-CE 3.8Å; I767-M806 HydrophobicContact CG1-CE 4.13Å; S784-M806 WeakPolarHBondContact O-CE 3.39Å; S786-M806 WeakPolarHBondContact O-CA 3.48Å; C787-M806 HydrophobicContact CB-CE 4.2Å; C787-M806 HydrophobicContact CB-CG 4.16Å; M806-C808 VanDerWaalsContact C-N 3.28Å; M806-C808 PolarHBondContact O-N 3.26Å; M806-L809 HydrophobicContact CB-CD1 4.17Å; M806-L809 HydrophobicContact CB-CG 4.14Å; M806-L809 HydrophobicContact CE-CD2 3.79Å; M806-L809 HydrophobicContact CE-CG 4.39Å; M806-L809 HydrophobicContact SD-CD1 4.34Å; M806-L809 HydrophobicContact SD-CD2 4.41Å; M806-A846 HydrophobicContact SD-CB 4.13Å; M806-V849 HydrophobicContact CE-CG2 4.18Å; M806-V849 HydrophobicContact SD-CB 4.03Å; M806-V849 HydrophobicContact SD-CG1 4.09Å; M806-V849 HydrophobicContact SD-CG2 3.93Å
807	P	96.5	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-15.4	-173.1	26.1	-34.7	0	0	0	114.6	T706 G709 R710 S713 M756 S786 T805	T706-P807 HydrophobicContact CG2-CG 4.07Å; G709-P807 WeakPolarHBondContact CA-O 3.21Å; R710-P807 PolarHBondContact N-O 3.01Å; S713-P807 WeakPolarHBondContact CB-O 3.43Å; S713-P807 PolarHBondContact OG-O 3.22Å; M756-P807 HydrophobicContact CE-CG 4.47Å; M756-P807 HydrophobicContact SD-CG 4.32Å; S786-P807 WeakPolarHBondContact O-CD 3.37Å; T805-P807 WeakPolarHBondContact O-CD 3.42Å
808	C	96.2	Very high	96.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	41	-162.7	-57.5	0	0	0	0	115.5	N705 R710 D783 S784 M806 E810	N705-C808 PolarHBondContact O-SG 3.04Å; R710-C808 CarbonylContact O-C 3.56Å; R710-C808 WeakPolarHBondContact O-CA 3.3Å; D783-C808 HydrophobicContact CB-CB 4.16Å; D783-C808 WeakPolarHBondContact O-CB 3.37Å; S784-C808 WeakPolarHBondContact CA-O 3.41Å; S784-C808 PolarHBondContact N-O 2.72Å; S784-C808 PolarHBondContact OG-O 3.09Å; S784-C808 VanDerWaalsContact OG-O 3.07Å; M806-C808 VanDerWaalsContact C-N 3.28Å; M806-C808 PolarHBondContact O-N 3.26Å; C808-E810 PolarHBondContact O-N 3.28Å
809	L	98	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	104.2	179.5	-72.3	173.6	0	0	0	112	K712 V714 I767 M806 V811 S842 I845	K712-L809 HydrophobicContact CB-CB 4.34Å; K712-L809 PolarHBondContact N-O 3.45Å; K712-L809 WeakPolarHBondContact O-CB 3.43Å; K712-L809 PolarHBondContact O-N 2.89Å; V714-L809 HydrophobicContact CB-CD1 4.3Å; V714-L809 HydrophobicContact CG2-CD1 3.91Å; I767-L809 HydrophobicContact CD1-CD2 3.77Å; M806-L809 HydrophobicContact CB-CD1 4.17Å; M806-L809 HydrophobicContact CB-CG 4.14Å; M806-L809 HydrophobicContact CE-CD2 3.79Å; M806-L809 HydrophobicContact CE-CG 4.39Å; M806-L809 HydrophobicContact SD-CD1 4.34Å; M806-L809 HydrophobicContact SD-CD2 4.41Å; L809-V811 PolarHBondContact O-N 3.49Å; L809-S842 WeakPolarHBondContact CD1-O 3.32Å; L809-I845 HydrophobicContact CD1-CB 4.41Å; L809-I845 HydrophobicContact CD1-CG2 4.18Å; L809-I845 HydrophobicContact CD2-CG2 3.79Å
810	E	97.6	Very high	96.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	12%	0.118	C	C	.	.			trans	-92.7	74.4	-176.7	-61.6	174.4	78.4	0	0	111.7	M596 M663 R710 Q780 D783 S784 C808	M596-E810 HydrophobicContact CE-CB 4.21Å; M596-E810 HydrophobicContact CE-CG 3.99Å; M663-E810 HydrophobicContact CG-CB 4.17Å; R710-E810 IonicContact CZ-OE1 2.73Å; R710-E810 IonicContact NE-OE1 3.57Å; R710-E810 IonicContact NH1-OE1 3.69Å; R710-E810 PolarHBondContact NH1-OE1 2.89Å; R710-E810 IonicContact NH1-OE2 3.09Å; R710-E810 PolarHBondContact NH1-OE2 2.93Å; R710-E810 VanDerWaalsContact NH1-OE2 3.14Å; R710-E810 IonicContact NH2-OE1 3.47Å; R710-E810 PolarHBondContact NH2-OE1 2.97Å; Q780-E810 HydrophobicContact CB-CB 4.11Å; Q780-E810 HydrophobicContact CG-CB 4.28Å; Q780-E810 PolarHBondContact OE1-OE1 3.39Å; Q780-E810 VanDerWaalsContact OE1-OE1 3.13Å; Q780-E810 PolarHBondContact OE1-OE2 3.48Å; D783-E810 WeakPolarHBondContact CB-OE2 3.45Å; S784-E810 PolarHBondContact OG-N 3.11Å; S784-E810 VanDerWaalsContact OG-N 3.08Å; C808-E810 PolarHBondContact O-N 3.28Å
811	V	98.2	Very high	96.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	14%	0.143	C	C	.	.			trans	-121.6	153.8	-173.6	-63.1	0	0	0	0	112.5	M663 K712 F771 Q776 L809 T838 L841 I845	M663-V811 WeakPolarHBondContact CA-O 3.23Å; K712-V811 HydrophobicContact CG-CG2 4.26Å; F771-V811 HydrophobicContact CD1-CG1 4.45Å; F771-V811 HydrophobicContact CE1-CG1 3.45Å; F771-V811 VanDerWaalsContact CE1-CG1 3.45Å; F771-V811 HydrophobicContact CZ-CG1 3.61Å; Q776-V811 HydrophobicContact CG-CG1 4.33Å; L809-V811 PolarHBondContact O-N 3.49Å; V811-T838 HydrophobicContact CG2-CG2 4.13Å; V811-T838 WeakPolarHBondContact O-CG2 3.44Å; V811-L841 HydrophobicContact CB-CD2 4.09Å; V811-L841 HydrophobicContact CG2-CD2 4.33Å; V811-L841 HydrophobicContact CG2-CG 4.42Å; V811-I845 HydrophobicContact CB-CD1 4.46Å; V811-I845 HydrophobicContact CG1-CD1 3.67Å; V811-I845 HydrophobicContact CG2-CD1 4.5Å
812	G	97.5	Very high	96	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	15%	0.154	C	C	.	.			trans	-145.2	151.9	173.3	0	0	0	0	0	111.1	D661 Q776	D661-G812 CarbonylContact O-C 3.31Å; D661-G812 WeakPolarHBondContact O-CA 3.09Å; Q776-G812 PolarHBondContact NE2-O 3.26Å; Q776-G812 PolarHBondContact OE1-O 3.27Å
813	T	97.4	Very high	95.9	Very high	11 Å²	11	25.6 Å²	25.6	7%	0.067	17%	0.165	C	C	.	.	S	Bend	trans	-92.2	-15.4	168.7	58	0	0	0	0	112	D661 T818 L832 P837 T838 L841	D661-T813 PolarHBondContact O-N 2.7Å; T813-T818 PolarHBondContact O-OG1 3.12Å; T813-T818 VanDerWaalsContact O-OG1 3.09Å; T813-L832 HydrophobicContact CG2-CD1 3.65Å; T813-P837 HydrophobicContact CG2-CB 4.16Å; T813-T838 PolarHBondContact N-OG1 3.26Å; T813-T838 PolarHBondContact OG1-OG1 3.22Å; T813-L841 HydrophobicContact CG2-CD2 4.15Å
814	V	94.6	Very high	95.9	Very high	76 Å²	76	29.7 Å²	29.7	46%	0.461	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-118.2	135.9	171.5	-58.8	0	0	0	0	111.5	D661 A662 T818	D661-V814 HydrophobicContact CB-CG2 4.13Å; D661-V814 WeakPolarHBondContact O-CG2 3.45Å; D661-V814 PolarHBondContact O-N 2.85Å; A662-V814 HydrophobicContact CB-CG2 3.95Å; V814-T818 WeakPolarHBondContact CA-OG1 3.24Å
815	G	91.2	Very high	95.8	Very high	36 Å²	36	32.4 Å²	32.4	37%	0.371	20%	0.201	S	C	.	.	S	Bend	trans	167.2	177.5	-178.3	0	0	0	0	0	111.8	T818 R819	G815-T818 PolarHBondContact N-OG1 3.16Å; G815-T818 PolarHBondContact O-OG1 2.92Å; G815-R819 WeakPolarHBondContact O-CD 3.35Å; G815-R819 VanDerWaalsContact O-CG 3.32Å; G815-R819 WeakPolarHBondContact O-CG 3.37Å
816	G	88.1	Confident	95.8	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	20%	0.201	S	C	.	.	S	Bend	trans	-60.8	-53.4	178.9	0	0	0	0	0	112.3	T818 R819	G816-T818 PolarHBondContact O-N 2.94Å; G816-R819 PolarHBondContact O-N 2.64Å
817	G	93.1	Very high	95.8	Very high	25 Å²	25	32.5 Å²	32.5	26%	0.258	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-68.9	-27.3	-178.3	0	0	0	0	0	114.9	G775 R819 Q823	G775-G817 CarbonylContact O-C 3.38Å; G775-G817 VanDerWaalsContact O-C 3.31Å; G775-G817 WeakPolarHBondContact O-CA 3.27Å; G817-R819 PolarHBondContact O-N 3.23Å; G817-Q823 WeakPolarHBondContact O-CB 3.18Å
818	T	95.5	Very high	95.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.031	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-75.5	-9.3	-177	73.9	0	0	0	0	113.8	G775 T813 V814 G815 G816 R824 L827	G775-T818 PolarHBondContact O-N 3.4Å; T813-T818 PolarHBondContact O-OG1 3.12Å; T813-T818 VanDerWaalsContact O-OG1 3.09Å; V814-T818 WeakPolarHBondContact CA-OG1 3.24Å; G815-T818 PolarHBondContact N-OG1 3.16Å; G815-T818 PolarHBondContact O-OG1 2.92Å; G816-T818 PolarHBondContact O-N 2.94Å; T818-R824 WeakPolarHBondContact O-CB 3.26Å; T818-L827 HydrophobicContact CG2-CD1 4.01Å
819	R	94.2	Very high	95.9	Very high	140 Å²	140	41.5 Å²	41.5	53%	0.528	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-94.2	-15.9	-178.3	-67.4	172.5	68.9	-169	1.3	113.7	G815 G816 G817	G815-R819 WeakPolarHBondContact O-CD 3.35Å; G815-R819 VanDerWaalsContact O-CG 3.32Å; G815-R819 WeakPolarHBondContact O-CG 3.37Å; G816-R819 PolarHBondContact O-N 2.64Å; G817-R819 PolarHBondContact O-N 3.23Å
820	L	95.1	Very high	95.9	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.11	25%	0.249	C	C	.	.	S	Bend	trans	-59.9	139.1	175.4	-59.9	178.8	0	0	0	109	L529 V530 G822 Q823 R824	L529-L820 HydrophobicContact CB-CD2 4.05Å; V530-L820 HydrophobicContact CG2-CD2 3.92Å; L820-G822 PolarHBondContact O-N 2.79Å; L820-Q823 HydrophobicContact CB-CB 4.27Å; L820-Q823 HydrophobicContact CB-CG 4.41Å; L820-Q823 PolarHBondContact O-N 3.28Å; L820-Q823 VanDerWaalsContact O-N 3.11Å; L820-R824 WeakPolarHBondContact O-CB 3.41Å; L820-R824 PolarHBondContact O-N 3.16Å
821	S	94.9	Very high	95.7	Very high	74 Å²	74	45.9 Å²	45.9	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-54.6	-48.7	-166.5	53.2	0	0	0	0	113.8	R824 A825	S821-R824 PolarHBondContact O-N 3.49Å; S821-A825 WeakPolarHBondContact O-CB 3.34Å; S821-A825 PolarHBondContact O-N 2.68Å
822	G	95.8	Very high	95.6	Very high	38 Å²	38	47 Å²	47	39%	0.392	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-42.4	178.2	0	0	0	0	0	113	L820 A825 C826	L820-G822 PolarHBondContact O-N 2.79Å; G822-A825 PolarHBondContact O-N 3.08Å; G822-C826 PolarHBondContact O-N 3.21Å; G822-C826 PolarHBondContact O-SG 3.24Å
823	Q	97.5	Very high	95.2	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	31%	0.314	C	S	.	.	H	α-helix	trans	-67.7	-39.8	179.3	-72.4	70.8	15.6	0	0	111.9	A773 G775 G817 L820 C826 L827	A773-Q823 WeakPolarHBondContact O-CA 3.42Å; G775-Q823 VanDerWaalsContact CA-CG 3.46Å; G817-Q823 WeakPolarHBondContact O-CB 3.18Å; L820-Q823 HydrophobicContact CB-CB 4.27Å; L820-Q823 HydrophobicContact CB-CG 4.41Å; L820-Q823 PolarHBondContact O-N 3.28Å; L820-Q823 VanDerWaalsContact O-N 3.11Å; Q823-C826 PolarHBondContact O-N 3.01Å; Q823-L827 PolarHBondContact O-N 3.39Å
824	R	97.2	Very high	94.9	Very high	101 Å²	101	53.1 Å²	53.1	38%	0.381	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-46.2	175.9	-178.1	64.2	-153.8	-175.5	0.8	111.1	T818 L820 S821 C826 L827 D828	T818-R824 WeakPolarHBondContact O-CB 3.26Å; L820-R824 WeakPolarHBondContact O-CB 3.41Å; L820-R824 PolarHBondContact O-N 3.16Å; S821-R824 PolarHBondContact O-N 3.49Å; R824-C826 VanDerWaalsContact C-N 3.27Å; R824-C826 PolarHBondContact O-N 2.93Å; R824-L827 WeakPolarHBondContact O-CB 3.34Å; R824-L827 PolarHBondContact O-N 2.74Å; R824-L827 VanDerWaalsContact O-N 3.09Å; R824-D828 IonicContact CZ-OD1 2.86Å; R824-D828 IonicContact NE-OD1 3.64Å; R824-D828 PolarHBondContact NE-OD1 3.39Å; R824-D828 VanDerWaalsContact NE-OD1 3.09Å; R824-D828 IonicContact NE-OD2 2.82Å; R824-D828 PolarHBondContact NE-OD2 3.25Å; R824-D828 IonicContact NH2-OD1 2.8Å; R824-D828 PolarHBondContact NH2-OD1 3.17Å; R824-D828 PolarHBondContact O-N 3.28Å
825	A	97.6	Very high	94.7	Very high	58 Å²	58	56.1 Å²	56.1	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-38.5	175.1	0	0	0	0	0	112.2	S821 G822 D828 L829	S821-A825 WeakPolarHBondContact O-CB 3.34Å; S821-A825 PolarHBondContact O-N 2.68Å; G822-A825 PolarHBondContact O-N 3.08Å; A825-D828 PolarHBondContact O-N 3.37Å; A825-L829 WeakPolarHBondContact O-CB 3.43Å; A825-L829 PolarHBondContact O-N 3.39Å
826	C	98.4	Very high	94.9	Very high	18 Å²	18	59.8 Å²	59.8	12%	0.122	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-35	174.6	-72	0	0	0	0	113.1	P562 A773 T774 G822 Q823 R824	P562-C826 HydrophobicContact CB-CB 4.09Å; P562-C826 HydrophobicContact CG-CB 3.68Å; A773-C826 WeakPolarHBondContact O-CB 3.27Å; A773-C826 PolarHBondContact O-SG 2.71Å; T774-C826 HydrophobicContact CG2-CB 4.4Å; G822-C826 PolarHBondContact O-N 3.21Å; G822-C826 PolarHBondContact O-SG 3.24Å; Q823-C826 PolarHBondContact O-N 3.01Å; R824-C826 VanDerWaalsContact C-N 3.27Å; R824-C826 PolarHBondContact O-N 2.93Å
827	L	98	Very high	95.3	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-69.3	-42	172.4	-78.9	169.1	0	0	0	112	T774 T818 Q823 R824 L829 L830 L832 L841	T774-L827 HydrophobicContact CG2-CD2 3.98Å; T774-L827 HydrophobicContact CG2-CG 4.22Å; T818-L827 HydrophobicContact CG2-CD1 4.01Å; Q823-L827 PolarHBondContact O-N 3.39Å; R824-L827 WeakPolarHBondContact O-CB 3.34Å; R824-L827 PolarHBondContact O-N 2.74Å; R824-L827 VanDerWaalsContact O-N 3.09Å; L827-L829 VanDerWaalsContact C-N 3.29Å; L827-L829 PolarHBondContact O-N 3.2Å; L827-L830 WeakPolarHBondContact O-CB 3.27Å; L827-L830 PolarHBondContact O-N 3.09Å; L827-L830 VanDerWaalsContact O-N 3.16Å; L827-L832 HydrophobicContact CD2-CD1 4.01Å; L827-L841 HydrophobicContact CD2-CD1 4.38Å; L827-L841 HydrophobicContact CD2-CD2 3.99Å
828	D	97.2	Very high	95.5	Very high	89 Å²	89	58.4 Å²	58.4	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-34.1	178.3	-65.9	-31.5	0	0	0	111.2	R824 A825 L830 D831	R824-D828 IonicContact CZ-OD1 2.86Å; R824-D828 IonicContact NE-OD1 3.64Å; R824-D828 PolarHBondContact NE-OD1 3.39Å; R824-D828 VanDerWaalsContact NE-OD1 3.09Å; R824-D828 IonicContact NE-OD2 2.82Å; R824-D828 PolarHBondContact NE-OD2 3.25Å; R824-D828 IonicContact NH2-OD1 2.8Å; R824-D828 PolarHBondContact NH2-OD1 3.17Å; R824-D828 PolarHBondContact O-N 3.28Å; A825-D828 PolarHBondContact O-N 3.37Å; D828-L830 PolarHBondContact O-N 3.02Å; D828-D831 PolarHBondContact O-N 3.2Å; D828-D831 VanDerWaalsContact O-N 3.1Å
829	L	97.3	Very high	95.7	Very high	99 Å²	99	59.3 Å²	59.3	52%	0.518	32%	0.322	S	S	.	.	H	α-helix	trans	-57.3	-28.9	173.2	179.6	67.6	0	0	0	113.3	P562 A825 L827 D831	P562-L829 HydrophobicContact CB-CD2 4.12Å; P562-L829 HydrophobicContact CG-CD2 4.16Å; A825-L829 WeakPolarHBondContact O-CB 3.43Å; A825-L829 PolarHBondContact O-N 3.39Å; L827-L829 VanDerWaalsContact C-N 3.29Å; L827-L829 PolarHBondContact O-N 3.2Å; L829-D831 PolarHBondContact O-N 3.24Å
830	L	97.9	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.8	-179.2	-67	173.2	0	0	0	113.4	H559 I561 T774 L827 D828 L832 L841 I844	H559-L830 PolarHBondContact ND1-O 3.23Å; I561-L830 HydrophobicContact CB-CD2 4.43Å; I561-L830 HydrophobicContact CG1-CD2 4.04Å; T774-L830 HydrophobicContact CG2-CD1 4.18Å; L827-L830 WeakPolarHBondContact O-CB 3.27Å; L827-L830 PolarHBondContact O-N 3.09Å; L827-L830 VanDerWaalsContact O-N 3.16Å; D828-L830 PolarHBondContact O-N 3.02Å; L830-L832 HydrophobicContact CB-CD1 4.33Å; L830-L832 HydrophobicContact CB-CD2 4.04Å; L830-L832 HydrophobicContact CB-CG 3.88Å; L830-L841 HydrophobicContact CD1-CD1 3.6Å; L830-I844 HydrophobicContact CB-CD1 4.34Å; L830-I844 HydrophobicContact CD2-CG2 4.1Å
831	D	94	Very high	96	Very high	94 Å²	94	51.9 Å²	51.9	50%	0.503	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	55.6	-177.8	-169.8	22.4	0	0	0	112.7	D828 L829 S833	D828-D831 PolarHBondContact O-N 3.2Å; D828-D831 VanDerWaalsContact O-N 3.1Å; L829-D831 PolarHBondContact O-N 3.24Å; D831-S833 PolarHBondContact O-N 3.43Å; D831-S833 VanDerWaalsContact O-N 3.08Å
832	L	94.8	Very high	96.2	Very high	24 Å²	24	48.3 Å²	48.3	13%	0.126	27%	0.268	C	S	.	.			trans	-80.2	26.6	-179.8	-57	177	0	0	0	112.5	T813 L827 L830 V834 P837 H840 L841 I844	T813-L832 HydrophobicContact CG2-CD1 3.65Å; L827-L832 HydrophobicContact CD2-CD1 4.01Å; L830-L832 HydrophobicContact CB-CD1 4.33Å; L830-L832 HydrophobicContact CB-CD2 4.04Å; L830-L832 HydrophobicContact CB-CG 3.88Å; L832-V834 PolarHBondContact O-N 3.24Å; L832-P837 HydrophobicContact CB-CB 3.97Å; L832-P837 VanDerWaalsContact O-CB 3.32Å; L832-P837 WeakPolarHBondContact O-CB 3.42Å; L832-H840 HydrophobicContact CD2-CB 4.34Å; L832-L841 HydrophobicContact CD1-CB 4.14Å; L832-L841 HydrophobicContact CD1-CD1 4.48Å; L832-L841 HydrophobicContact CD2-CB 4.34Å; L832-I844 HydrophobicContact CD2-CD1 3.79Å
833	S	89.7	Confident	96.3	Very high	109 Å²	109	48.9 Å²	48.9	76%	0.762	26%	0.259	S	S	*	.			trans	-78.3	56.8	176.9	-54.8	0	0	0	0	111.1	D831	D831-S833 PolarHBondContact O-N 3.43Å; D831-S833 VanDerWaalsContact O-N 3.08Å
834	V	91.1	Very high	96.4	Very high	33 Å²	33	46.6 Å²	46.6	20%	0.2	25%	0.248	C	C	.	.	S	Bend	trans	-131.4	163.1	-172.6	-59.8	0	0	0	0	111.2	L832 R836 H840	L832-V834 PolarHBondContact O-N 3.24Å; V834-R836 PolarHBondContact O-N 3.04Å; V834-H840 HydrophobicContact CG2-CB 3.59Å
835	D	91	Very high	96.5	Very high	138 Å²	138	41.8 Å²	41.8	74%	0.738	23%	0.23	S	C	*	.	S	Bend	trans	-60.9	130.7	166.9	-172.6	24.7	0	0	0	109.4
836	R	94.9	Very high	96.5	Very high	114 Å²	114	39 Å²	39	43%	0.43	21%	0.207	S	C	.	.	S	Bend	trans	54.2	69.2	-175.6	-52.4	-178.4	-172	171.7	4.3	113.2	V834 T838 E839 H840	V834-R836 PolarHBondContact O-N 3.04Å; R836-T838 PolarHBondContact O-N 3.28Å; R836-T838 VanDerWaalsContact O-N 3.15Å; R836-E839 HydrophobicContact CB-CB 4.02Å; R836-E839 HydrophobicContact CB-CG 4.09Å; R836-E839 VanDerWaalsContact CD-CD 3.41Å; R836-E839 WeakPolarHBondContact CD-OE1 3.23Å; R836-E839 WeakPolarHBondContact CD-OE2 3.4Å; R836-E839 IonicContact NH1-OE1 3.61Å; R836-E839 IonicContact NH1-OE2 3.97Å; R836-E839 PolarHBondContact NH1-OE2 3.07Å; R836-E839 WeakPolarHBondContact O-CB 3.4Å; R836-E839 PolarHBondContact O-N 2.74Å; R836-H840 PolarHBondContact O-N 3.14Å
837	P	97.1	Very high	96.6	Very high	21 Å²	21	38.1 Å²	38.1	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-32.8	-174.9	25.6	-36.5	0	0	0	113.3	D661 T813 L832 H840 L841	D661-P837 VanDerWaalsContact CG-CG 3.45Å; D661-P837 WeakPolarHBondContact OD1-CD 3.39Å; D661-P837 WeakPolarHBondContact OD1-CG 3.36Å; D661-P837 WeakPolarHBondContact OD2-CG 3.3Å; T813-P837 HydrophobicContact CG2-CB 4.16Å; L832-P837 HydrophobicContact CB-CB 3.97Å; L832-P837 VanDerWaalsContact O-CB 3.32Å; L832-P837 WeakPolarHBondContact O-CB 3.42Å; P837-H840 PolarHBondContact O-N 3.08Å; P837-L841 PolarHBondContact O-N 2.67Å
838	T	97.5	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.4	-34.8	177.5	-58.1	0	0	0	0	113.2	D661 K712 V811 T813 R836 H840 L841 S842	D661-T838 WeakPolarHBondContact CA-OG1 3.38Å; D661-T838 PolarHBondContact O-OG1 3.04Å; D661-T838 PolarHBondContact OD1-OG1 3.33Å; K712-T838 HydrophobicContact CG-CG2 4.5Å; V811-T838 HydrophobicContact CG2-CG2 4.13Å; V811-T838 WeakPolarHBondContact O-CG2 3.44Å; T813-T838 PolarHBondContact N-OG1 3.26Å; T813-T838 PolarHBondContact OG1-OG1 3.22Å; R836-T838 PolarHBondContact O-N 3.28Å; R836-T838 VanDerWaalsContact O-N 3.15Å; T838-H840 VanDerWaalsContact C-N 3.32Å; T838-L841 PolarHBondContact O-N 3.32Å; T838-S842 PolarHBondContact O-N 3.15Å
839	E	98.1	Very high	96.7	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-40.4	172.2	-73	-175.7	-174.4	0	0	110.7	V591 R658 R836 S842 R843	V591-E839 HydrophobicContact CG1-CG 4.35Å; V591-E839 HydrophobicContact CG2-CB 3.89Å; V591-E839 HydrophobicContact CG2-CG 4.2Å; R658-E839 IonicContact CZ-OE1 3.83Å; R658-E839 IonicContact NH2-OE1 3.24Å; R658-E839 PolarHBondContact NH2-OE1 3.14Å; R836-E839 HydrophobicContact CB-CB 4.02Å; R836-E839 HydrophobicContact CB-CG 4.09Å; R836-E839 VanDerWaalsContact CD-CD 3.41Å; R836-E839 WeakPolarHBondContact CD-OE1 3.23Å; R836-E839 WeakPolarHBondContact CD-OE2 3.4Å; R836-E839 IonicContact NH1-OE1 3.61Å; R836-E839 IonicContact NH1-OE2 3.97Å; R836-E839 PolarHBondContact NH1-OE2 3.07Å; R836-E839 WeakPolarHBondContact O-CB 3.4Å; R836-E839 PolarHBondContact O-N 2.74Å; E839-S842 PolarHBondContact O-N 3.36Å; E839-S842 PolarHBondContact O-OG 2.84Å; E839-R843 WeakPolarHBondContact O-CG 3.44Å; E839-R843 PolarHBondContact O-N 2.82Å; E839-R843 VanDerWaalsContact O-N 3.1Å
840	H	98.1	Very high	96.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-41.3	175.8	-165.6	46.8	0	0	0	112.7	H559 L832 V834 R836 P837 T838 S842 R843 I844	H559-H840 AromaticContact CE1-CE1 3.88Å; H559-H840 AromaticContact CE1-NE2 3.15Å; H559-H840 PolarHBondContact CE1-NE2 2.82Å; H559-H840 AromaticContact NE2-CE1 3.63Å; H559-H840 AromaticContact NE2-NE2 3.37Å; H559-H840 PolarHBondContact NE2-NE2 2.77Å; L832-H840 HydrophobicContact CD2-CB 4.34Å; V834-H840 HydrophobicContact CG2-CB 3.59Å; R836-H840 PolarHBondContact O-N 3.14Å; P837-H840 PolarHBondContact O-N 3.08Å; T838-H840 VanDerWaalsContact C-N 3.32Å; H840-S842 VanDerWaalsContact C-N 3.31Å; H840-S842 PolarHBondContact O-N 3.08Å; H840-R843 PolarHBondContact ND1-NH2 3.14Å; H840-R843 WeakPolarHBondContact O-CB 3.36Å; H840-R843 PolarHBondContact O-N 2.86Å; H840-R843 VanDerWaalsContact O-N 3.13Å; H840-I844 WeakPolarHBondContact O-CG1 3.45Å; H840-I844 PolarHBondContact O-N 3.46Å
841	L	98.7	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.1	-46.1	171.5	175.1	60.6	0	0	0	111.6	V811 T813 L827 L830 L832 P837 T838 R843 I844 I845	V811-L841 HydrophobicContact CB-CD2 4.09Å; V811-L841 HydrophobicContact CG2-CD2 4.33Å; V811-L841 HydrophobicContact CG2-CG 4.42Å; T813-L841 HydrophobicContact CG2-CD2 4.15Å; L827-L841 HydrophobicContact CD2-CD1 4.38Å; L827-L841 HydrophobicContact CD2-CD2 3.99Å; L830-L841 HydrophobicContact CD1-CD1 3.6Å; L832-L841 HydrophobicContact CD1-CB 4.14Å; L832-L841 HydrophobicContact CD1-CD1 4.48Å; L832-L841 HydrophobicContact CD2-CB 4.34Å; P837-L841 PolarHBondContact O-N 2.67Å; T838-L841 PolarHBondContact O-N 3.32Å; L841-R843 VanDerWaalsContact C-N 3.29Å; L841-R843 PolarHBondContact O-N 2.8Å; L841-I844 PolarHBondContact O-N 2.95Å; L841-I845 HydrophobicContact CD1-CD1 4.02Å; L841-I845 HydrophobicContact CD1-CG1 4.32Å; L841-I845 HydrophobicContact CG-CD1 3.95Å; L841-I845 WeakPolarHBondContact O-CG1 3.41Å; L841-I845 PolarHBondContact O-N 3.44Å
842	S	98.7	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-34.2	178.8	73	0	0	0	0	113.1	V714 L809 T838 E839 H840 A846	V714-S842 VanDerWaalsContact CG2-OG 3.3Å; V714-S842 WeakPolarHBondContact CG2-OG 3.06Å; L809-S842 WeakPolarHBondContact CD1-O 3.32Å; T838-S842 PolarHBondContact O-N 3.15Å; E839-S842 PolarHBondContact O-N 3.36Å; E839-S842 PolarHBondContact O-OG 2.84Å; H840-S842 VanDerWaalsContact C-N 3.31Å; H840-S842 PolarHBondContact O-N 3.08Å; S842-A846 WeakPolarHBondContact O-CB 3.48Å; S842-A846 PolarHBondContact O-N 3.22Å
843	R	98.7	Very high	97.2	Very high	50 Å²	50	23.5 Å²	23.5	19%	0.189	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-41.6	173.6	-72.4	-178.5	-69.5	146.5	-9.2	112.5	L554 D555 S589 V591 V714 E839 H840 L841 I845 A846 G847	L554-R843 HydrophobicContact CD2-CB 4.06Å; D555-R843 IonicContact OD2-CZ 3.55Å; D555-R843 IonicContact OD2-NH1 2.66Å; D555-R843 PolarHBondContact OD2-NH1 3.44Å; S589-R843 WeakPolarHBondContact OG-CB 3.18Å; S589-R843 WeakPolarHBondContact OG-CD 3.38Å; S589-R843 WeakPolarHBondContact OG-CG 3.42Å; V591-R843 HydrophobicContact CG2-CG 3.85Å; V714-R843 HydrophobicContact CG1-CG 3.89Å; E839-R843 WeakPolarHBondContact O-CG 3.44Å; E839-R843 PolarHBondContact O-N 2.82Å; E839-R843 VanDerWaalsContact O-N 3.1Å; H840-R843 PolarHBondContact ND1-NH2 3.14Å; H840-R843 WeakPolarHBondContact O-CB 3.36Å; H840-R843 PolarHBondContact O-N 2.86Å; H840-R843 VanDerWaalsContact O-N 3.13Å; L841-R843 VanDerWaalsContact C-N 3.29Å; L841-R843 PolarHBondContact O-N 2.8Å; R843-I845 VanDerWaalsContact C-N 3.32Å; R843-I845 PolarHBondContact O-N 3.17Å; R843-A846 PolarHBondContact O-N 3.04Å; R843-G847 PolarHBondContact O-N 3.25Å
844	I	98.8	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.1	-43.7	174.1	-66.9	164.9	0	0	0	110.7	L554 I561 M770 L830 L832 H840 L841 G847 T848	L554-I844 HydrophobicContact CD2-CB 4.27Å; L554-I844 HydrophobicContact CD2-CG1 3.6Å; I561-I844 HydrophobicContact CD1-CG2 4.2Å; I561-I844 HydrophobicContact CG1-CG2 3.69Å; M770-I844 HydrophobicContact CE-CG2 4.17Å; L830-I844 HydrophobicContact CB-CD1 4.34Å; L830-I844 HydrophobicContact CD2-CG2 4.1Å; L832-I844 HydrophobicContact CD2-CD1 3.79Å; H840-I844 WeakPolarHBondContact O-CG1 3.45Å; H840-I844 PolarHBondContact O-N 3.46Å; L841-I844 PolarHBondContact O-N 2.95Å; I844-G847 PolarHBondContact O-N 2.91Å; I844-T848 WeakPolarHBondContact O-CB 3.43Å; I844-T848 PolarHBondContact O-N 3Å; I844-T848 PolarHBondContact O-OG1 3.47Å
845	I	98.8	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.3	-51.9	176	-70.4	165	0	0	0	110.9	I767 M770 F771 L809 V811 L841 R843 G847 T848 V849	I767-I845 HydrophobicContact CD1-CG2 3.14Å; M770-I845 HydrophobicContact CE-CB 4.29Å; M770-I845 HydrophobicContact CE-CG1 3.38Å; M770-I845 HydrophobicContact SD-CB 4.4Å; M770-I845 HydrophobicContact SD-CG1 3.9Å; F771-I845 HydrophobicContact CE1-CD1 4.22Å; L809-I845 HydrophobicContact CD1-CB 4.41Å; L809-I845 HydrophobicContact CD1-CG2 4.18Å; L809-I845 HydrophobicContact CD2-CG2 3.79Å; V811-I845 HydrophobicContact CB-CD1 4.46Å; V811-I845 HydrophobicContact CG1-CD1 3.67Å; V811-I845 HydrophobicContact CG2-CD1 4.5Å; L841-I845 HydrophobicContact CD1-CD1 4.02Å; L841-I845 HydrophobicContact CD1-CG1 4.32Å; L841-I845 HydrophobicContact CG-CD1 3.95Å; L841-I845 WeakPolarHBondContact O-CG1 3.41Å; L841-I845 PolarHBondContact O-N 3.44Å; R843-I845 VanDerWaalsContact C-N 3.32Å; R843-I845 PolarHBondContact O-N 3.17Å; I845-G847 VanDerWaalsContact C-N 3.32Å; I845-G847 PolarHBondContact O-N 2.96Å; I845-T848 PolarHBondContact O-N 2.9Å; I845-T848 VanDerWaalsContact O-N 3.13Å; I845-V849 WeakPolarHBondContact O-CG2 3.37Å; I845-V849 PolarHBondContact O-N 3.06Å
846	A	98.8	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.1	-42.3	178.9	0	0	0	0	0	112.1	V714 A716 V804 M806 S842 R843 T848 V849 L850	V714-A846 HydrophobicContact CB-CB 4.17Å; V714-A846 HydrophobicContact CG1-CB 3.73Å; A716-A846 HydrophobicContact CB-CB 3.96Å; V804-A846 HydrophobicContact CG2-CB 4.42Å; V804-A846 WeakPolarHBondContact CG2-O 3.41Å; M806-A846 HydrophobicContact SD-CB 4.13Å; S842-A846 WeakPolarHBondContact O-CB 3.48Å; S842-A846 PolarHBondContact O-N 3.22Å; R843-A846 PolarHBondContact O-N 3.04Å; A846-T848 VanDerWaalsContact C-N 3.34Å; A846-T848 PolarHBondContact O-N 2.86Å; A846-V849 PolarHBondContact O-N 2.61Å; A846-L850 PolarHBondContact O-N 3Å
847	G	98.8	Very high	98.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.4	-35.6	176	0	0	0	0	0	113.6	I587 R843 I844 I845 L850 A851	I587-G847 WeakPolarHBondContact CD1-O 3.43Å; R843-G847 PolarHBondContact O-N 3.25Å; I844-G847 PolarHBondContact O-N 2.91Å; I845-G847 VanDerWaalsContact C-N 3.32Å; I845-G847 PolarHBondContact O-N 2.96Å; G847-L850 PolarHBondContact O-N 3.22Å; G847-A851 PolarHBondContact O-N 2.82Å
848	T	98.9	Very high	98.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-68.5	-40.6	174.8	-51.1	0	0	0	0	111.2	I549 I561 T574 I766 M770 I844 I845 A846 A851 A852	I549-T848 HydrophobicContact CD1-CG2 4.14Å; I549-T848 HydrophobicContact CG2-CG2 4.49Å; I561-T848 HydrophobicContact CD1-CG2 4.44Å; I561-T848 VanDerWaalsContact CD1-OG1 3.29Å; I561-T848 WeakPolarHBondContact CD1-OG1 3.41Å; I561-T848 HydrophobicContact CG2-CG2 4.25Å; T574-T848 HydrophobicContact CG2-CG2 3.96Å; I766-T848 HydrophobicContact CG2-CG2 3.61Å; M770-T848 HydrophobicContact SD-CG2 3.97Å; I844-T848 WeakPolarHBondContact O-CB 3.43Å; I844-T848 PolarHBondContact O-N 3Å; I844-T848 PolarHBondContact O-OG1 3.47Å; I845-T848 PolarHBondContact O-N 2.9Å; I845-T848 VanDerWaalsContact O-N 3.13Å; A846-T848 VanDerWaalsContact C-N 3.34Å; A846-T848 PolarHBondContact O-N 2.86Å; T848-A851 PolarHBondContact O-N 3.01Å; T848-A852 PolarHBondContact O-N 2.83Å
849	V	98.8	Very high	98.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.5	-47.2	173.2	171.3	0	0	0	0	110.3	A763 I766 I767 V804 M806 I845 A846 A851 A852 E853	A763-V849 HydrophobicContact CB-CG1 3.74Å; I766-V849 HydrophobicContact CB-CG2 4.01Å; I766-V849 HydrophobicContact CG2-CG2 3.89Å; I767-V849 HydrophobicContact CD1-CG2 3.84Å; I767-V849 HydrophobicContact CG1-CG2 4.3Å; V804-V849 HydrophobicContact CG1-CG1 4.39Å; M806-V849 HydrophobicContact CE-CG2 4.18Å; M806-V849 HydrophobicContact SD-CB 4.03Å; M806-V849 HydrophobicContact SD-CG1 4.09Å; M806-V849 HydrophobicContact SD-CG2 3.93Å; I845-V849 WeakPolarHBondContact O-CG2 3.37Å; I845-V849 PolarHBondContact O-N 3.06Å; A846-V849 PolarHBondContact O-N 2.61Å; V849-A851 VanDerWaalsContact C-N 3.32Å; V849-A851 PolarHBondContact O-N 3.2Å; V849-A852 PolarHBondContact O-N 3.23Å; V849-E853 HydrophobicContact CG1-CG 3.98Å; V849-E853 WeakPolarHBondContact O-CB 3.49Å; V849-E853 WeakPolarHBondContact O-CG 3.5Å; V849-E853 PolarHBondContact O-N 3.37Å
850	L	98.8	Very high	98.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-56.8	-45.1	176.5	-179.7	60.4	0	0	0	112	I587 A718 A802 V804 A846 G847 E853 L854	I587-L850 HydrophobicContact CD1-CB 4.48Å; I587-L850 HydrophobicContact CD1-CD2 4.06Å; I587-L850 HydrophobicContact CG1-CD2 4.32Å; A718-L850 HydrophobicContact CB-CD2 3.91Å; A802-L850 HydrophobicContact CB-CD1 3.99Å; V804-L850 HydrophobicContact CG1-CB 4.18Å; V804-L850 HydrophobicContact CG1-CD1 3.94Å; V804-L850 HydrophobicContact CG2-CB 3.89Å; A846-L850 PolarHBondContact O-N 3Å; G847-L850 PolarHBondContact O-N 3.22Å; L850-E853 PolarHBondContact O-N 3.03Å; L850-L854 HydrophobicContact CD1-CD1 4.2Å; L850-L854 HydrophobicContact CD1-CG 4.34Å; L850-L854 HydrophobicContact CG-CD1 4.17Å; L850-L854 WeakPolarHBondContact O-CB 3.21Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 3.28Å
851	A	98.8	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.2	-47.3	177.1	0	0	0	0	0	112.3	L552 T574 G577 I581 G847 T848 V849 S855	L552-A851 HydrophobicContact CD1-CB 4.38Å; T574-A851 HydrophobicContact CG2-CB 4.27Å; G577-A851 VanDerWaalsContact CA-O 3.3Å; G577-A851 WeakPolarHBondContact CA-O 3.41Å; I581-A851 VanDerWaalsContact CD1-CA 3.44Å; I581-A851 HydrophobicContact CD1-CB 3.53Å; G847-A851 PolarHBondContact O-N 2.82Å; T848-A851 PolarHBondContact O-N 3.01Å; V849-A851 VanDerWaalsContact C-N 3.32Å; V849-A851 PolarHBondContact O-N 3.2Å; A851-S855 PolarHBondContact O-N 3.29Å; A851-S855 VanDerWaalsContact O-N 3.16Å
852	A	98.6	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.4	-48	177.8	0	0	0	0	0	111.3	T574 H762 I766 T848 V849 L854 S855 L856	T574-A852 HydrophobicContact CG2-CB 4.01Å; H762-A852 PolarHBondContact CE1-O 3.11Å; H762-A852 VanDerWaalsContact CE1-O 3.3Å; I766-A852 HydrophobicContact CD1-CB 3.48Å; I766-A852 VanDerWaalsContact CD1-CB 3.48Å; I766-A852 HydrophobicContact CG1-CB 3.41Å; I766-A852 VanDerWaalsContact CG1-CB 3.41Å; T848-A852 PolarHBondContact O-N 2.83Å; V849-A852 PolarHBondContact O-N 3.23Å; A852-L854 PolarHBondContact O-N 2.92Å; A852-S855 PolarHBondContact O-N 3.4Å; A852-S855 VanDerWaalsContact O-N 3.14Å; A852-L856 PolarHBondContact O-N 2.94Å
853	E	98.3	Very high	96.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-56.5	-48.7	-179.4	-73.7	-74.4	110.1	0	0	111	N760 A761 H762 A763 T789 V849 L850 S855 L856 M857	N760-E853 WeakPolarHBondContact CA-OE2 3.49Å; N760-E853 WeakPolarHBondContact CB-OE2 3.42Å; A761-E853 WeakPolarHBondContact CA-OE1 3.42Å; A761-E853 WeakPolarHBondContact CB-OE1 3.47Å; A761-E853 VanDerWaalsContact N-CD 3.27Å; A761-E853 PolarHBondContact N-OE1 3.07Å; A761-E853 PolarHBondContact N-OE2 2.89Å; H762-E853 IonicContact CE1-OE1 3.69Å; H762-E853 IonicContact CG-OE1 3.19Å; H762-E853 PolarHBondContact N-OE1 3.26Å; H762-E853 IonicContact ND1-OE1 3.22Å; H762-E853 PolarHBondContact ND1-OE1 3.19Å; A763-E853 PolarHBondContact N-OE1 3.23Å; T789-E853 HydrophobicContact CG2-CB 4.27Å; T789-E853 PolarHBondContact OG1-OE2 3.42Å; V849-E853 HydrophobicContact CG1-CG 3.98Å; V849-E853 WeakPolarHBondContact O-CB 3.49Å; V849-E853 WeakPolarHBondContact O-CG 3.5Å; V849-E853 PolarHBondContact O-N 3.37Å; L850-E853 PolarHBondContact O-N 3.03Å; E853-S855 VanDerWaalsContact C-N 3.32Å; E853-S855 PolarHBondContact O-N 3.1Å; E853-L856 PolarHBondContact O-N 3.22Å; E853-M857 WeakPolarHBondContact O-CB 3.35Å; E853-M857 WeakPolarHBondContact O-CG 3.46Å; E853-M857 PolarHBondContact O-N 3.3Å
854	L	98.1	Very high	95.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-56.5	-45.9	175.7	-80.8	169.2	0	0	0	112.2	I581 L720 L791 L800 A802 L850 A852 A858	I581-L854 HydrophobicContact CD1-CD1 4.01Å; I581-L854 HydrophobicContact CG1-CD1 4.05Å; L720-L854 HydrophobicContact CD1-CD1 3.9Å; L720-L854 HydrophobicContact CD1-CD2 4.38Å; L720-L854 HydrophobicContact CD2-CD1 4.17Å; L791-L854 HydrophobicContact CD1-CD2 4.41Å; L791-L854 HydrophobicContact CD2-CD2 3.84Å; L800-L854 HydrophobicContact CD2-CD2 3.97Å; A802-L854 HydrophobicContact CB-CD1 4.05Å; A802-L854 HydrophobicContact CB-CD2 3.76Å; A802-L854 HydrophobicContact CB-CG 4.22Å; L850-L854 HydrophobicContact CD1-CD1 4.2Å; L850-L854 HydrophobicContact CD1-CG 4.34Å; L850-L854 HydrophobicContact CG-CD1 4.17Å; L850-L854 WeakPolarHBondContact O-CB 3.21Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 3.28Å; A852-L854 PolarHBondContact O-N 2.92Å; L854-A858 WeakPolarHBondContact O-CB 3.47Å; L854-A858 PolarHBondContact O-N 3.41Å
855	S	98	Very high	94.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-48.4	179	-170.8	0	0	0	0	111.7	S573 R576 A851 A852 E853 M857 A858 A859	S573-S855 WeakPolarHBondContact O-CB 3.33Å; S573-S855 PolarHBondContact O-OG 3.24Å; S573-S855 PolarHBondContact OG-OG 3.48Å; S573-S855 VanDerWaalsContact OG-OG 3.14Å; R576-S855 PolarHBondContact NE-OG 2.97Å; R576-S855 PolarHBondContact NH2-O 2.95Å; R576-S855 PolarHBondContact NH2-OG 3.04Å; R576-S855 VanDerWaalsContact NH2-OG 3.14Å; A851-S855 PolarHBondContact O-N 3.29Å; A851-S855 VanDerWaalsContact O-N 3.16Å; A852-S855 PolarHBondContact O-N 3.4Å; A852-S855 VanDerWaalsContact O-N 3.14Å; E853-S855 VanDerWaalsContact C-N 3.32Å; E853-S855 PolarHBondContact O-N 3.1Å; S855-M857 VanDerWaalsContact C-N 3.34Å; S855-M857 PolarHBondContact O-N 3.47Å; S855-A858 PolarHBondContact O-N 2.69Å; S855-A859 PolarHBondContact O-N 3.09Å
856	L	97.2	Very high	93.3	Very high	22 Å²	22	22.8 Å²	22.8	12%	0.115	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-42.8	-179.6	178.2	58.5	0	0	0	111.6	A761 H762 A852 E853 A858 A859 L860 L865	A761-L856 HydrophobicContact CB-CD2 3.71Å; A761-L856 HydrophobicContact CB-CG 4.33Å; H762-L856 HydrophobicContact CB-CD2 3.8Å; H762-L856 WeakPolarHBondContact ND1-CD2 3.19Å; A852-L856 PolarHBondContact O-N 2.94Å; E853-L856 PolarHBondContact O-N 3.22Å; L856-A858 VanDerWaalsContact C-N 3.32Å; L856-A858 PolarHBondContact O-N 3.25Å; L856-A859 PolarHBondContact O-N 3.13Å; L856-L860 HydrophobicContact CD1-CD1 4.29Å; L856-L860 HydrophobicContact CD1-CG 4.26Å; L856-L860 HydrophobicContact CG-CD1 4.13Å; L856-L860 WeakPolarHBondContact O-CG 3.5Å; L856-L860 PolarHBondContact O-N 3.04Å; L856-L865 HydrophobicContact CD1-CD1 3.65Å; L856-L865 HydrophobicContact CD1-CD2 4.17Å
857	M	97.5	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-40.1	178.1	-66.5	-56.3	-73.8	0	0	111.7	L736 L739 T740 K743 A761 E853 S855 L860 D861	L736-M857 HydrophobicContact CD2-CB 4.09Å; L739-M857 HydrophobicContact CB-CE 4.27Å; L739-M857 HydrophobicContact CD2-CE 3.97Å; L739-M857 VanDerWaalsContact CD2-O 3.23Å; L739-M857 WeakPolarHBondContact CD2-O 3.38Å; L739-M857 HydrophobicContact CG-CE 3.63Å; T740-M857 VanDerWaalsContact CA-CE 3.45Å; T740-M857 VanDerWaalsContact OG1-CE 3.3Å; T740-M857 WeakPolarHBondContact OG1-CE 3.48Å; K743-M857 HydrophobicContact CB-CE 4.47Å; K743-M857 HydrophobicContact CD-CE 4.24Å; K743-M857 HydrophobicContact CD-SD 4Å; A761-M857 HydrophobicContact CB-CG 4.42Å; A761-M857 HydrophobicContact CB-SD 3.79Å; E853-M857 WeakPolarHBondContact O-CB 3.35Å; E853-M857 WeakPolarHBondContact O-CG 3.46Å; E853-M857 PolarHBondContact O-N 3.3Å; S855-M857 VanDerWaalsContact C-N 3.34Å; S855-M857 PolarHBondContact O-N 3.47Å; M857-L860 PolarHBondContact O-N 2.94Å; M857-L860 HydrophobicContact SD-CD1 4.3Å; M857-D861 PolarHBondContact O-N 3.36Å
858	A	97.5	Very high	91.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-43.9	172.9	0	0	0	0	0	112.7	L729 T731 L736 L854 S855 L856 L860 D861 T862	L729-A858 HydrophobicContact CB-CB 3.75Å; L729-A858 HydrophobicContact CD1-CB 4.29Å; L729-A858 HydrophobicContact CD2-CB 4.06Å; L729-A858 HydrophobicContact CG-CB 4.25Å; T731-A858 HydrophobicContact CG2-CB 4.08Å; L736-A858 HydrophobicContact CD2-CB 4.28Å; L854-A858 WeakPolarHBondContact O-CB 3.47Å; L854-A858 PolarHBondContact O-N 3.41Å; S855-A858 PolarHBondContact O-N 2.69Å; L856-A858 VanDerWaalsContact C-N 3.32Å; L856-A858 PolarHBondContact O-N 3.25Å; A858-L860 PolarHBondContact O-N 2.78Å; A858-D861 PolarHBondContact O-N 2.98Å; A858-D861 VanDerWaalsContact O-N 3.14Å; A858-T862 WeakPolarHBondContact O-CG2 3.46Å; A858-T862 PolarHBondContact O-N 2.99Å; A858-T862 PolarHBondContact O-OG1 3.42Å
859	A	95.6	Very high	90.3	Very high	9 Å²	9	33.3 Å²	33.3	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-29.7	178.3	0	0	0	0	0	113.2	S855 L856 D863 D864 L865	S855-A859 PolarHBondContact O-N 3.09Å; L856-A859 PolarHBondContact O-N 3.13Å; A859-D863 PolarHBondContact O-N 3.14Å; A859-D864 PolarHBondContact O-N 3Å; A859-L865 HydrophobicContact CB-CB 4.34Å; A859-L865 PolarHBondContact O-N 2.98Å
860	L	94.8	Very high	89.4	Confident	55 Å²	55	38 Å²	38	29%	0.288	20%	0.202	S	C	.	.	H	α-helix	trans	-74.7	-36.6	173.7	-75.1	169.3	0	0	0	112.1	L739 K743 L856 M857 A858 L865	L739-L860 HydrophobicContact CD2-CB 3.95Å; K743-L860 HydrophobicContact CD-CD1 3.84Å; L856-L860 HydrophobicContact CD1-CD1 4.29Å; L856-L860 HydrophobicContact CD1-CG 4.26Å; L856-L860 HydrophobicContact CG-CD1 4.13Å; L856-L860 WeakPolarHBondContact O-CG 3.5Å; L856-L860 PolarHBondContact O-N 3.04Å; M857-L860 PolarHBondContact O-N 2.94Å; M857-L860 HydrophobicContact SD-CD1 4.3Å; A858-L860 PolarHBondContact O-N 2.78Å; L860-L865 HydrophobicContact CD2-CD2 3.53Å; L860-L865 HydrophobicContact CG-CD2 4.24Å
861	D	93.8	Very high	88.5	Confident	24 Å²	24	44 Å²	44	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-30.4	176.3	-179.6	64	0	0	0	112.9	T731 R735 L739 M857 A858	T731-D861 VanDerWaalsContact CB-OD2 3.31Å; T731-D861 WeakPolarHBondContact CB-OD2 3.4Å; T731-D861 PolarHBondContact OG1-OD2 3.13Å; R735-D861 IonicContact CZ-OD1 3.85Å; R735-D861 IonicContact CZ-OD2 2.83Å; R735-D861 VanDerWaalsContact NE-CG 3.32Å; R735-D861 IonicContact NE-OD1 3.46Å; R735-D861 PolarHBondContact NE-OD1 2.83Å; R735-D861 IonicContact NE-OD2 3.38Å; R735-D861 PolarHBondContact NE-OD2 3.24Å; R735-D861 VanDerWaalsContact NH2-CG 3.28Å; R735-D861 PolarHBondContact NH2-O 2.63Å; R735-D861 IonicContact NH2-OD1 2.68Å; R735-D861 PolarHBondContact NH2-OD1 2.67Å; R735-D861 IonicContact NH2-OD2 2.71Å; R735-D861 PolarHBondContact NH2-OD2 3.34Å; R735-D861 VanDerWaalsContact NH2-OD2 3.14Å; L739-D861 HydrophobicContact CD2-CB 3.89Å; M857-D861 PolarHBondContact O-N 3.36Å; A858-D861 PolarHBondContact O-N 2.98Å; A858-D861 VanDerWaalsContact O-N 3.14Å
862	T	89.8	Confident	87.4	Confident	29 Å²	29	48.9 Å²	48.9	18%	0.178	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.2	-178.6	65.1	0	0	0	0	114.6	H730 A858 D864	H730-T862 HydrophobicContact CB-CG2 4.14Å; H730-T862 WeakPolarHBondContact O-CG2 3.36Å; A858-T862 WeakPolarHBondContact O-CG2 3.46Å; A858-T862 PolarHBondContact O-N 2.99Å; A858-T862 PolarHBondContact O-OG1 3.42Å; T862-D864 WeakPolarHBondContact CB-OD2 3.45Å; T862-D864 PolarHBondContact O-N 3.35Å; T862-D864 VanDerWaalsContact OG1-CG 3.31Å; T862-D864 PolarHBondContact OG1-OD2 3.48Å
863	D	81.3	Confident	86.1	Confident	131 Å²	131	53.4 Å²	53.4	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	24.1	-174.7	-62.3	-48.5	0	0	0	114.6	A859	A859-D863 PolarHBondContact O-N 3.14Å
864	D	81.6	Confident	84.7	Confident	51 Å²	51	61.5 Å²	61.5	27%	0.273	31%	0.306	S	S	.	.			trans	-87.9	-15.6	-178	-71.9	-37.9	0	0	0	113.6	A859 T862 V866 K867 A868	A859-D864 PolarHBondContact O-N 3Å; T862-D864 WeakPolarHBondContact CB-OD2 3.45Å; T862-D864 PolarHBondContact O-N 3.35Å; T862-D864 VanDerWaalsContact OG1-CG 3.31Å; T862-D864 PolarHBondContact OG1-OD2 3.48Å; D864-V866 PolarHBondContact O-N 2.83Å; D864-K867 PolarHBondContact O-N 3.44Å; D864-K867 VanDerWaalsContact O-N 3.15Å; D864-K867 IonicContact OD1-NZ 3.14Å; D864-A868 PolarHBondContact O-N 2.78Å
865	L	70.1	Confident	82.7	Confident	48 Å²	48	65.7 Å²	65.7	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-52.5	-51.7	-175.2	-177.1	63.7	0	0	0	112.5	L856 A859 L860 K867 A868 H869	L856-L865 HydrophobicContact CD1-CD1 3.65Å; L856-L865 HydrophobicContact CD1-CD2 4.17Å; A859-L865 HydrophobicContact CB-CB 4.34Å; A859-L865 PolarHBondContact O-N 2.98Å; L860-L865 HydrophobicContact CD2-CD2 3.53Å; L860-L865 HydrophobicContact CG-CD2 4.24Å; L865-K867 PolarHBondContact O-N 3.33Å; L865-A868 PolarHBondContact O-N 2.69Å; L865-H869 WeakPolarHBondContact CD1-NE2 3.48Å; L865-H869 PolarHBondContact O-CD2 3.34Å; L865-H869 PolarHBondContact O-N 3.08Å
866	V	74.6	Confident	80.6	Confident	108 Å²	108	74.6 Å²	74.6	66%	0.655	38%	0.38	S	S	*	.	H	α-helix	trans	-65	-40.5	-178	178.7	0	0	0	0	111.3	D864 H869 M870	D864-V866 PolarHBondContact O-N 2.83Å; V866-H869 PolarHBondContact O-N 3.23Å; V866-M870 HydrophobicContact CG1-CG 4.39Å; V866-M870 WeakPolarHBondContact O-CB 3.39Å; V866-M870 VanDerWaalsContact O-CG 3.26Å; V866-M870 WeakPolarHBondContact O-CG 3.45Å; V866-M870 PolarHBondContact O-N 3.35Å
867	K	78.9	Confident	78.1	Confident	135 Å²	135	81.7 Å²	81.7	59%	0.587	41%	0.412	S	S	*	.	H	α-helix	trans	-63.7	-43.3	178.9	-63.7	175.4	-166.6	154.3	0	111	D864 L865 M870 H871	D864-K867 PolarHBondContact O-N 3.44Å; D864-K867 VanDerWaalsContact O-N 3.15Å; D864-K867 IonicContact OD1-NZ 3.14Å; L865-K867 PolarHBondContact O-N 3.33Å; K867-M870 PolarHBondContact O-N 3.14Å; K867-H871 WeakPolarHBondContact O-CB 3.44Å; K867-H871 PolarHBondContact O-N 2.74Å
868	A	76.8	Confident	75.7	Confident	30 Å²	30	86.1 Å²	86.1	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-62.5	-48.9	177.8	0	0	0	0	0	111.3	D864 L865 M870 H871 F872	D864-A868 PolarHBondContact O-N 2.78Å; L865-A868 PolarHBondContact O-N 2.69Å; A868-M870 VanDerWaalsContact C-N 3.33Å; A868-M870 PolarHBondContact O-N 3.12Å; A868-H871 PolarHBondContact O-N 3.41Å; A868-H871 VanDerWaalsContact O-N 3.13Å; A868-F872 VanDerWaalsContact O-CD2 3.24Å; A868-F872 WeakPolarHBondContact O-CD2 3.48Å; A868-F872 PolarHBondContact O-N 3.14Å
869	H	78	Confident	73	Confident	55 Å²	55	91.9 Å²	91.9	26%	0.255	48%	0.479	S	S	.	.	H	α-helix	trans	-58	-44.4	176.1	-80.7	-69.3	0	0	0	112.5	E567 L865 V866 H871 F872 N873	E567-H869 IonicContact OE1-CE1 2.72Å; E567-H869 PolarHBondContact OE1-CE1 3.08Å; L865-H869 WeakPolarHBondContact CD1-NE2 3.48Å; L865-H869 PolarHBondContact O-CD2 3.34Å; L865-H869 PolarHBondContact O-N 3.08Å; V866-H869 PolarHBondContact O-N 3.23Å; H869-H871 VanDerWaalsContact C-N 3.28Å; H869-H871 PolarHBondContact O-N 2.94Å; H869-F872 PolarHBondContact O-N 2.89Å; H869-N873 WeakPolarHBondContact O-CB 3.45Å; H869-N873 PolarHBondContact O-N 2.91Å
870	M	79.5	Confident	70.3	Confident	98 Å²	98	97.1 Å²	97.1	48%	0.483	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-31.3	178.7	-69.9	-62.6	-72.7	0	0	112.8	V866 K867 A868 R874	V866-M870 HydrophobicContact CG1-CG 4.39Å; V866-M870 WeakPolarHBondContact O-CB 3.39Å; V866-M870 VanDerWaalsContact O-CG 3.26Å; V866-M870 WeakPolarHBondContact O-CG 3.45Å; V866-M870 PolarHBondContact O-N 3.35Å; K867-M870 PolarHBondContact O-N 3.14Å; A868-M870 VanDerWaalsContact C-N 3.33Å; A868-M870 PolarHBondContact O-N 3.12Å; M870-R874 VanDerWaalsContact O-CD 3.28Å; M870-R874 WeakPolarHBondContact O-CD 3.33Å; M870-R874 WeakPolarHBondContact O-CG 3.47Å
871	H	79.1	Confident	67.4	Low	127 Å²	127	99.5 Å²	99.5	59%	0.588	53%	0.527	S	S	*	.	H	α-helix	trans	-73.2	-46.2	177.7	-173.8	79.4	0	0	0	112.3	K867 A868 H869	K867-H871 WeakPolarHBondContact O-CB 3.44Å; K867-H871 PolarHBondContact O-N 2.74Å; A868-H871 PolarHBondContact O-N 3.41Å; A868-H871 VanDerWaalsContact O-N 3.13Å; H869-H871 VanDerWaalsContact C-N 3.28Å; H869-H871 PolarHBondContact O-N 2.94Å
872	F	76.4	Confident	64.6	Low	102 Å²	102	105.6 Å²	105.6	45%	0.447	55%	0.554	S	S	.	*	H	α-helix	trans	-82.8	-27.6	-175.1	-72	-72.2	0	0	0	114.2	C569 A572 A868 H869	C569-F872 HydrophobicContact CB-CB 4.32Å; C569-F872 HydrophobicContact CB-CD2 4.08Å; C569-F872 HydrophobicContact CB-CG 4.45Å; C569-F872 VanDerWaalsContact SG-CD2 3.59Å; A572-F872 HydrophobicContact CB-CE1 4.29Å; A572-F872 HydrophobicContact CB-CE2 4.22Å; A572-F872 HydrophobicContact CB-CZ 3.88Å; A868-F872 VanDerWaalsContact O-CD2 3.24Å; A868-F872 WeakPolarHBondContact O-CD2 3.48Å; A868-F872 PolarHBondContact O-N 3.14Å; H869-F872 PolarHBondContact O-N 2.89Å
873	N	72	Confident	61.8	Low	96 Å²	96	109.1 Å²	109.1	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-87.8	-12.5	-180	-67.2	-17	0	0	0	113.5	H869 A875	H869-N873 WeakPolarHBondContact O-CB 3.45Å; H869-N873 PolarHBondContact O-N 2.91Å; N873-A875 PolarHBondContact O-N 3.3Å; N873-A875 VanDerWaalsContact O-N 3.07Å
874	R	68.5	Low	59.2	Low	171 Å²	171	107.7 Å²	107.7	65%	0.645	58%	0.579	S	S	*	*			trans	-71.7	106	171.3	-81	175.6	-176.3	-172.8	1.6	107.9	M870 K876	M870-R874 VanDerWaalsContact O-CD 3.28Å; M870-R874 WeakPolarHBondContact O-CD 3.33Å; M870-R874 WeakPolarHBondContact O-CG 3.47Å; R874-K876 PolarHBondContact O-N 3.32Å
875	A	56.9	Low	56.7	Low	89 Å²	89	110.5 Å²	110.5	74%	0.736	60%	0.603	S	S	*	*			trans	-54.1	99.6	151.4	0	0	0	0	0	106	N873 Q877	N873-A875 PolarHBondContact O-N 3.3Å; N873-A875 VanDerWaalsContact O-N 3.07Å; A875-Q877 PolarHBondContact O-N 3.34Å
876	K	53.3	Low	54.9	Low	186 Å²	186	116 Å²	116	81%	0.809	63%	0.627	S	S	*	*			trans	-59.5	99.8	158.1	-76.4	-177.6	-179.8	178.2	0	102.8	R874 S878	R874-K876 PolarHBondContact O-N 3.32Å; K876-S878 PolarHBondContact O-N 3.32Å
877	Q	44.9	Very low	52.7	Low	172 Å²	172	115.7 Å²	115.7	80%	0.804	63%	0.629	S	S	*	*			trans	-52.3	105.8	164.6	-75.4	178	-11.4	0	0	104	A875 T879	A875-Q877 PolarHBondContact O-N 3.34Å; Q877-T879 PolarHBondContact O-N 3.27Å
878	S	46.8	Very low	50.2	Low	93 Å²	93	115.6 Å²	115.6	65%	0.65	64%	0.64	S	S	*	*			trans	-59.8	100	161.4	48.4	0	0	0	0	103.1	K876 N880	K876-S878 PolarHBondContact O-N 3.32Å; S878-N880 PolarHBondContact O-N 3.26Å
879	T	41.3	Very low	47.8	Very low	121 Å²	121	120 Å²	120	74%	0.742	66%	0.664	S	S	*	*			trans	-59.6	89.2	159.5	46.9	0	0	0	0	104.1	Q877 S881	Q877-T879 PolarHBondContact O-N 3.27Å; T879-S881 PolarHBondContact O-N 2.91Å
880	N	38.2	Very low	45.1	Very low	118 Å²	118	123.2 Å²	123.2	63%	0.631	69%	0.688	S	S	*	*			trans	-62.4	89.6	159.1	-86.7	4.4	0	0	0	103.9	S878 H882	S878-N880 PolarHBondContact O-N 3.26Å; N880-H882 PolarHBondContact O-N 3.43Å
881	S	33.3	Very low	42.7	Very low	106 Å²	106	126 Å²	126	74%	0.741	70%	0.704	S	S	*	*			trans	-65.1	74	155.4	53.9	0	0	0	0	106.1	T879 S883	T879-S881 PolarHBondContact O-N 2.91Å; S881-S883 PolarHBondContact O-N 3.27Å
882	H	35.7	Very low	40	Very low	152 Å²	152	126.7 Å²	126.7	70%	0.704	71%	0.713	S	S	*	*			trans	-66.6	88.7	150	-81.4	-63.6	0	0	0	104.9	N880 C884	N880-H882 PolarHBondContact O-N 3.43Å; H882-C884 PolarHBondContact O-N 3.34Å
883	S	30.8	Very low	37.5	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	73%	0.726	S	S	*	*			trans	-59.2	92.3	152.9	50.3	0	0	0	0	105.9	S881 S885	S881-S883 PolarHBondContact O-N 3.27Å; S883-S885 PolarHBondContact O-N 3.18Å
884	C	26.7	Very low	35.3	Very low	102 Å²	102	129.6 Å²	129.6	69%	0.689	73%	0.733	S	S	*	*			trans	-63.6	86.4	161.8	-90.6	0	0	0	0	106.9	H882 H886	H882-C884 PolarHBondContact O-N 3.34Å; C884-H886 PolarHBondContact O-N 3.29Å
885	S	29	Very low	33.2	Very low	109 Å²	109	128 Å²	128	76%	0.762	74%	0.737	S	S	*	*			trans	-69.1	84.5	156.6	52.4	0	0	0	0	106.7	S883 S887	S883-S885 PolarHBondContact O-N 3.18Å; S885-S887 PolarHBondContact O-N 3.07Å; S885-S887 VanDerWaalsContact O-N 3.1Å
886	H	31.9	Very low	31.9	Very low	165 Å²	165	131.7 Å²	131.7	76%	0.764	74%	0.743	S	S	*	*			trans	-66.5	105.7	160	-92.4	-68.8	0	0	0	106.8	C884 T888	C884-H886 PolarHBondContact O-N 3.29Å; H886-T888 PolarHBondContact O-N 2.97Å; H886-T888 VanDerWaalsContact O-N 3.09Å
887	S	28.4	Very low	30.4	Very low	101 Å²	101	127 Å²	127	71%	0.706	73%	0.734	S	S	*	*			trans	-53.7	109.1	161.7	47.5	0	0	0	0	108.6	S885 T889	S885-S887 PolarHBondContact O-N 3.07Å; S885-S887 VanDerWaalsContact O-N 3.1Å; S887-T889 PolarHBondContact O-N 2.73Å
888	T	26	Very low	29.4	Very low	133 Å²	133	125.1 Å²	125.1	82%	0.816	73%	0.729	S	S	*	*			trans	-61.4	98.9	162.6	25.1	0	0	0	0	108.6	H886 T890	H886-T888 PolarHBondContact O-N 2.97Å; H886-T888 VanDerWaalsContact O-N 3.09Å; T888-T890 PolarHBondContact O-N 3.3Å
889	T	26.2	Very low	28.3	Very low	122 Å²	122	126.1 Å²	126.1	75%	0.748	73%	0.726	S	S	*	*			trans	-76.2	106.4	153.4	43.4	0	0	0	0	107.4	S887 D891	S887-T889 PolarHBondContact O-N 2.73Å; T889-D891 PolarHBondContact O-N 2.96Å
890	T	22.9	Very low	27.7	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	73%	0.73	S	S	*	*			trans	-60.4	112.1	161.4	44	0	0	0	0	108.6	T888	T888-T890 PolarHBondContact O-N 3.3Å
891	D	28	Very low	26.9	Very low	155 Å²	155	131.3 Å²	131.3	83%	0.829	74%	0.735	S	S	*	*			trans	-133.6	123.5	153.6	-89.2	-35.8	0	0	0	109.1	T889	T889-D891 PolarHBondContact O-N 2.96Å
892	N	22	Very low	26.5	Very low	142 Å²	142	131.8 Å²	131.8	76%	0.759	73%	0.729	S	S	*	*			trans	-65.4	138.4	176.1	-62	-50	0	0	0	110.1
893	N	25.1	Very low	26.1	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	73%	0.732	S	S	*	*				166.8	131.4	114.9	-87.8	-10.9	0	0	0	111.6
894	D	25.6	Very low	25.7	Very low	122 Å²	122	133.9 Å²	133.9	65%	0.652	73%	0.732	S	S	*	*			trans	71.6	112.7	138.5	-59.4	-24	0	0	0	121.2
895	N	24.3	Very low	25.7	Very low	137 Å²	137	135 Å²	135	73%	0.733	74%	0.735	S	S	*	*				61.2	109.4	126.4	-59.4	-33.6	0	0	0	117.8
896	I	29.2	Very low	25.3	Very low	167 Å²	167	134.3 Å²	134.3	86%	0.856	74%	0.736	S	S	*	*				-165.2	111.5	110.5	-89.2	147.6	0	0	0	107.6
897	S	22.3	Very low	25	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	74%	0.743	S	S	*	*			trans	-54.4	134.5	156.5	50.3	0	0	0	0	110.8
898	N	24.5	Very low	24.5	Very low	132 Å²	132	134.8 Å²	134.8	71%	0.706	74%	0.743	S	S	*	*				164.4	121.6	118.4	-87.5	-18.9	0	0	0	115.2
899	I	23.3	Very low	24.6	Very low	113 Å²	113	133.8 Å²	133.8	58%	0.579	74%	0.742	S	S	*	*				82.4	136.8	121.8	-55	167.6	0	0	0	118.8
900	Y	27.5	Very low	24.4	Very low	211 Å²	211	137.1 Å²	137.1	83%	0.827	75%	0.746	S	S	*	*			trans	91	77.1	173.4	-55.5	-63.8	0	0	0	114.4
901	D	23.1	Very low	24.4	Very low	137 Å²	137	138.4 Å²	138.4	73%	0.733	75%	0.747	S	S	*	*				58.9	122.8	68.4	-86.1	-18.1	0	0	0	117
902	N	22.8	Very low	24.4	Very low	116 Å²	116	136.2 Å²	136.2	62%	0.62	74%	0.741	S	S	*	*			trans	72.4	108.8	144.9	-64.5	-31.6	0	0	0	120.1
903	H	27.8	Very low	24.3	Very low	166 Å²	166	135.1 Å²	135.1	77%	0.769	74%	0.739	S	S	*	*				-172.5	120	91.6	-94.9	-65.8	0	0	0	112.3
904	N	22.6	Very low	24.3	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	75%	0.745	S	S	*	*			trans	21.9	134.6	135.3	-58.5	-22.5	0	0	0	117.1
905	V	26.4	Very low	24	Very low	126 Å²	126	136 Å²	136	76%	0.764	75%	0.749	S	S	*	*				-160.4	125.2	59.3	160.3	0	0	0	0	108.9
906	A	21.4	Very low	24	Very low	94 Å²	94	136.7 Å²	136.7	78%	0.777	75%	0.753	S	S	*	*			trans	-71.7	131.8	163.8	0	0	0	0	0	109.9
907	L	24.5	Very low	23.7	Very low	173 Å²	173	133.4 Å²	133.4	91%	0.906	75%	0.745	S	S	*	*			trans	-117.1	108.2	156.5	-113.9	151.2	0	0	0	107
908	S	19.5	Very low	23.8	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	76%	0.756	S	S	*	*			trans	-90.4	139.2	179	50.8	0	0	0	0	110.5
909	S	27	Very low	23.8	Very low	113 Å²	113	139 Å²	139	79%	0.79	77%	0.766	S	S	*	*			trans	170.5	97	143.6	37.6	0	0	0	0	107.1
910	K	21.8	Very low	23.6	Very low	192 Å²	192	144.2 Å²	144.2	84%	0.835	78%	0.778	S	S	*	*				55.9	118.3	85.7	-94.5	-171.9	179.9	-177.6	0	115.4
911	I	24.1	Very low	23.4	Very low	149 Å²	149	142.6 Å²	142.6	76%	0.764	78%	0.778	S	S	*	*			trans	101.3	136.9	140.7	-61.1	156.7	0	0	0	116.8
912	P	27.8	Very low	23.4	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	78%	0.779	S	S	*	*				-131.4	-178.1	-70.8	39.9	-17.9	0	0	0	112.9
913	V	20	Very low	23.4	Very low	119 Å²	119	142 Å²	142	72%	0.721	79%	0.788	S	S	*	*			trans	-52.8	129.3	171.3	178.6	0	0	0	0	112.9
914	T	24	Very low	23.3	Very low	140 Å²	140	143 Å²	143	86%	0.859	79%	0.793	S	S	*	*			trans	-134.6	120.6	145.8	36.6	0	0	0	0	109.3
915	D	21.1	Very low	23.4	Very low	138 Å²	138	141 Å²	141	74%	0.738	79%	0.789	S	S	*	*			trans	-62.6	129.5	167.6	-74.3	-48.7	0	0	0	110.3
916	N	23.1	Very low	23.4	Very low	150 Å²	150	143 Å²	143	80%	0.802	79%	0.794	S	S	*	*				-174.2	126.4	123	-92.7	-28.4	0	0	0	111.2	D918	N916-D918 PolarHBondContact O-N 3.46Å
917	S	22.9	Very low	23.6	Very low	98 Å²	98	147 Å²	147	69%	0.685	80%	0.797	S	S	*	*			trans	-2.9	111	150.2	55.2	0	0	0	0	116.9
918	D	25.6	Very low	23.8	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	79%	0.791	S	S	*	*				-166.9	112.5	126.7	-95.2	-24.9	0	0	0	110.2	N916 R920	N916-D918 PolarHBondContact O-N 3.46Å; D918-R920 PolarHBondContact O-N 3.16Å
919	I	23.4	Very low	24	Very low	177 Å²	177	148.9 Å²	148.9	91%	0.908	80%	0.795	S	S	*	*			trans	-78.6	96.5	-178.6	-63.5	170.2	0	0	0	108.3
920	R	19.4	Very low	23.9	Very low	223 Å²	223	149.1 Å²	149.1	84%	0.842	79%	0.794	S	S	*	*			trans	-133.1	126.2	155.9	-90.7	-171.7	175.7	177.4	0.1	110.3	D918	D918-R920 PolarHBondContact O-N 3.16Å
921	E	22.2	Very low	24	Very low	177 Å²	177	149.3 Å²	149.3	83%	0.827	80%	0.795	S	S	*	*			trans	61.5	111.2	153.3	-61.3	-179.4	170.5	0	0	118.7
922	S	24.4	Very low	24.1	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	79%	0.794	S	S	*	*				161.8	128.3	104.5	52.4	0	0	0	0	113.2	H924	S922-H924 PolarHBondContact O-N 3.26Å
923	V	22.6	Very low	24	Very low	135 Å²	135	148.9 Å²	148.9	82%	0.818	80%	0.799	S	S	*	*			trans	1.6	105.1	147.2	-170.2	0	0	0	0	116.7
924	H	25	Very low	24.3	Very low	186 Å²	186	152.3 Å²	152.3	86%	0.861	80%	0.804	S	S	*	*			trans	-97.7	108.4	148.9	-88.5	-59.6	0	0	0	109.7	S922 L926	S922-H924 PolarHBondContact O-N 3.26Å; H924-L926 PolarHBondContact O-N 3.19Å
925	S	24.9	Very low	24.2	Very low	92 Å²	92	150.6 Å²	150.6	64%	0.643	80%	0.798	S	S	*	*			trans	-59.9	110.3	167.1	46.8	0	0	0	0	110.6	H927	S925-H927 PolarHBondContact O-N 3.24Å
926	L	27.8	Very low	24.5	Very low	166 Å²	166	150.4 Å²	150.4	87%	0.869	80%	0.797	S	S	*	*			trans	-72.2	104.8	165.6	-88.9	151.4	0	0	0	108.9	H924 V928	H924-L926 PolarHBondContact O-N 3.19Å; L926-V928 PolarHBondContact O-N 3Å
927	H	25.7	Very low	24.8	Very low	178 Å²	178	150.5 Å²	150.5	82%	0.824	80%	0.797	S	S	*	*			trans	-58.6	100.5	164	-94.1	-77.8	0	0	0	109.5	S925 K929	S925-H927 PolarHBondContact O-N 3.24Å; H927-K929 PolarHBondContact O-N 2.77Å
928	V	27	Very low	25.1	Very low	129 Å²	129	151.1 Å²	151.1	78%	0.782	80%	0.801	S	S	*	*			trans	-71.6	104.9	161.7	179.3	0	0	0	0	106.6	L926 P930	L926-V928 PolarHBondContact O-N 3Å; V928-P930 WeakPolarHBondContact O-CD 3.39Å
929	K	24.7	Very low	25.1	Very low	186 Å²	186	150 Å²	150	81%	0.809	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.2	121.2	165.7	-87	-177.5	175	178.6	0	107.9	H927 F931	H927-K929 PolarHBondContact O-N 2.77Å; K929-F931 PolarHBondContact O-N 2.99Å
930	P	24.6	Very low	25.3	Very low	118 Å²	118	148.1 Å²	148.1	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.7	126	175.9	27.7	-30	0	0	0	109.1	V928	V928-P930 WeakPolarHBondContact O-CD 3.39Å
931	F	24.7	Very low	26	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.864	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67.9	130.6	165.4	-98.5	-93.1	0	0	0	108.7	K929 V933	K929-F931 PolarHBondContact O-N 2.99Å; F931-V933 PolarHBondContact O-N 3.32Å
932	P	24.4	Very low	26.2	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	78%	0.783	S	S	*	*			trans	-73.3	113.2	-179	28.7	-30.8	0	0	0	109.5	K934	P932-K934 PolarHBondContact O-N 3Å
933	V	26.2	Very low	26.6	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	79%	0.79	S	S	*	*			trans	-70.7	109.7	162.7	178.4	0	0	0	0	106.2	F931 S935	F931-V933 PolarHBondContact O-N 3.32Å; V933-S935 PolarHBondContact O-N 2.93Å
934	K	25.7	Very low	26.6	Very low	191 Å²	191	143.4 Å²	143.4	83%	0.83	78%	0.782	S	S	*	*			trans	-60.2	107.9	168.6	-82.4	-176.1	172.6	-176.4	0	108.2	P932 D936	P932-K934 PolarHBondContact O-N 3Å; K934-D936 PolarHBondContact O-N 2.95Å
935	S	23.5	Very low	26.6	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	78%	0.777	S	S	*	*			trans	-76.9	92.6	165.4	53	0	0	0	0	108.1	V933	V933-S935 PolarHBondContact O-N 2.93Å
936	D	27.3	Very low	27	Very low	134 Å²	134	149.7 Å²	149.7	72%	0.717	79%	0.792	S	S	*	*			trans	-142.6	109.7	164.3	-85.9	-39.9	0	0	0	110.6	K934	K934-D936 PolarHBondContact O-N 2.95Å
937	L	28.1	Very low	26.7	Very low	153 Å²	153	147.9 Å²	147.9	80%	0.801	79%	0.788	S	S	*	*			trans	89.8	113	137.3	-64.7	158.6	0	0	0	120.8
938	S	29.8	Very low	26.8	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	81%	0.812	S	S	*	*			trans	67.8	93.1	145.4	57.9	0	0	0	0	118.8	N940	S938-N940 PolarHBondContact O-N 3.33Å
939	V	26.3	Very low	26.8	Very low	138 Å²	138	153.3 Å²	153.3	84%	0.836	81%	0.813	S	S	*	*			trans	-58	117.1	151.6	176	0	0	0	0	108.4
940	N	27	Very low	27	Very low	138 Å²	138	151.5 Å²	151.5	74%	0.738	81%	0.813	S	S	*	*			trans	-83.5	116.4	171.6	-148.2	3.1	0	0	0	108	S938 E942	S938-N940 PolarHBondContact O-N 3.33Å; N940-E942 VanDerWaalsContact C-N 3.25Å; N940-E942 PolarHBondContact O-N 3Å; N940-E942 VanDerWaalsContact O-N 3.14Å
941	P	33.9	Very low	27.1	Very low	106 Å²	106	153.4 Å²	153.4	69%	0.688	82%	0.816	S	S	*	*			trans	-86.4	31.8	-168.8	35.2	-34.6	0	0	0	114.3
942	E	26.6	Very low	27.2	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	81%	0.813	S	S	*	*			trans	-114.2	54.8	178.3	-72.8	-168.1	163.8	0	0	112.8	N940	N940-E942 VanDerWaalsContact C-N 3.25Å; N940-E942 PolarHBondContact O-N 3Å; N940-E942 VanDerWaalsContact O-N 3.14Å
943	I	32.1	Very low	27.4	Very low	173 Å²	173	153.2 Å²	153.2	89%	0.887	82%	0.818	S	S	*	*			trans	-138.9	63.3	159.5	-48.4	178	0	0	0	108.6
944	S	24.3	Very low	27.5	Very low	94 Å²	94	154.3 Å²	154.3	66%	0.657	82%	0.818	S	S	*	*			trans	-125	83.8	162.7	61.3	0	0	0	0	107.8
945	H	24.6	Very low	27.6	Very low	164 Å²	164	151.7 Å²	151.7	76%	0.759	82%	0.817	S	S	*	*			trans	-178.9	97.2	154.4	-89.7	-52.5	0	0	0	108.8
946	Y	32.3	Very low	27.9	Very low	246 Å²	246	155.4 Å²	155.4	97%	0.965	82%	0.824	S	S	*	*			trans	-155.7	99.4	137.6	-91.5	-67.9	0	0	0	107.9
947	T	21.8	Very low	28	Very low	127 Å²	127	157.2 Å²	157.2	78%	0.779	83%	0.833	S	S	*	*			trans	-100.9	123	162.7	-8.5	0	0	0	0	106.7
948	M	28.9	Very low	28	Very low	267 Å²	267	157.5 Å²	157.5	100%	1.315	84%	0.835	S	S	*	*			trans	-165.5	0	133	-108.8	-161.6	176.6	0	0	109.4

Retrieved 948 of 948 residues in 157.5 ms (Link to these results)

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