A0A3Q0KBE7_SCHMA Loading...

FYVE, RhoGEF and PH domain-containing protein 4

AlphaFold DB (A0A5K4E8F1), UniProt , Accession A0A3Q0KBE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 888 aa.

						>A0A3Q0KBE7_SCHMA|A0A3Q0KBE7
MSGGCVHASIKLDILHPDYLCDLVNKTPESRACGRRNVFGESVTKSSILLDALDFQRNKIKNLLNETLKEKLSTSNKGLLSVAQKDLDSIEKKRKIARSVFDEMLQYGKRLLEIIRILKDVNDEVQNVPSLRCNSVINGMFKDIPSLFKLHEHLTESFDSREAEDVELPSAFTSDKEMQILNIYKSFLCRYAVNFKAFSEMYSTNEELQNICKGIVAKSQYQEQRIQNVPGMFYGVSTALTRYKDLIYRLKGTMLPSDPEYTNVTKAWNFIKDLLDRSEQEIILQEKMSNAREALGKLDGLRVKYTQIPLLHLEGPAKKLPRRSIHRRLLDRYLFLFSEYLVMTESPNAVGRYQVKSEIGLAGMTLCEVKDDEEINVEHCFRIKAKELCVEVAFSNDDEKQLWWRELQQAIDCECNRPNSNGFNEKKSIMSANNLGEVAAQWVKDESSTMCTNCCTEFTTLNRRHHCRACGKLFCGSCSAYKAPLESCGGKYQRVCVVDYYLLNKNFKPPKPKIMEAILRRVDKIIIQPPQPLRTGFLMWCHFNNSWSTKSPIRLPKSSIQYRSVDTSFEIRKEMLRDIGLFNSSNKFTCKNSSTDPVNNHHDSNTQSISNSLPHINHQSFDSSINLESINHKSSSACLSRLFCVLQTDTSFEFYAARADARAVDKITVIGLRLFYLDDNFNDTFSNHSDDLSTMQQSTLHTKARSFDSSSRVNNDFPENTSAYSSLYRKGNPIYRNFKPPPRDRNIFDRKFSSETSSLSDVTSLSKSYIKPSSMSTLEPDSLLNRSTQSCRERSSKENHKNSLCNFSGDQSNDDDGIVTNNEILKHVETISPEILGLLRNNLGFLLLPLNTDRPAHYFEAATVEIRTQWINSIRRVCIDFMSSPSSK
					

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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	32.3	Very low	36.4	Very low	247 Å²	247	89.9 Å²	89.9	100%	1.217	58%	0.576	S	S	*	*				0	111.8	0	-59.9	173.2	84.2	0	0	106.6
2	S	28	Very low	38.1	Very low	125 Å²	125	84.3 Å²	84.3	87%	0.874	54%	0.538	S	S	*	.			trans	-110.8	78	-171.2	50.1	0	0	0	0	110.7
3	G	29	Very low	39.9	Very low	76 Å²	76	80.2 Å²	80.2	78%	0.784	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-72.8	127.4	165.7	0	0	0	0	0	109.3	C5	G3-C5 PolarHBondContact O-N 2.93Å
4	G	25.8	Very low	41.3	Very low	78 Å²	78	76.4 Å²	76.4	80%	0.804	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-69.8	122.9	176.4	0	0	0	0	0	110.7
5	C	26.8	Very low	42.7	Very low	93 Å²	93	71.5 Å²	71.5	63%	0.628	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-79.4	119.9	173.2	-164.9	0	0	0	0	109.2	G3	G3-C5 PolarHBondContact O-N 2.93Å
6	V	30.1	Very low	43.8	Very low	107 Å²	107	70.3 Å²	70.3	65%	0.648	44%	0.438	S	S	*	.			trans	-86.9	109.6	174.3	-179.4	0	0	0	0	108	A8	V6-A8 PolarHBondContact O-N 3.25Å
7	H	34.5	Very low	44.5	Very low	131 Å²	131	68.9 Å²	68.9	61%	0.606	43%	0.431	S	S	*	.			trans	-73.9	94.1	178.2	-90.5	-76.2	0	0	0	111.3
8	A	39.8	Very low	45.2	Very low	22 Å²	22	70.9 Å²	70.9	18%	0.182	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-76.3	126.4	167.6	0	0	0	0	0	110.6	V6 D679	V6-A8 PolarHBondContact O-N 3.25Å; A8-D679 WeakPolarHBondContact CA-OD1 3.32Å; A8-D679 WeakPolarHBondContact CB-OD1 3.35Å
9	S	44.9	Very low	46.1	Very low	36 Å²	36	73.5 Å²	73.5	25%	0.252	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.8	178.5	71.7	0	0	0	0	111.8	L677 D678	S9-L677 CarbonylContact O-C 3.57Å; S9-L677 WeakPolarHBondContact O-CA 3.12Å; S9-D678 PolarHBondContact N-O 2.97Å; S9-D678 PolarHBondContact O-N 3.26Å; S9-D678 PolarHBondContact OG-O 2.93Å
10	I	50.5	Low	46.9	Very low	26 Å²	26	70.5 Å²	70.5	13%	0.133	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118	167.7	-66	174.9	0	0	0	108	I579 L677 I824 V828	I10-I579 HydrophobicContact CD1-CD1 4.41Å; I10-I579 HydrophobicContact CD1-CG2 3.77Å; I10-I579 HydrophobicContact CG1-CG2 3.9Å; I10-L677 HydrophobicContact CB-CD2 4.47Å; I10-L677 HydrophobicContact CG1-CD2 3.56Å; I10-I824 HydrophobicContact CG2-CG2 4.33Å; I10-V828 HydrophobicContact CD1-CG1 4.44Å; I10-V828 HydrophobicContact CD1-CG2 3.59Å; I10-V828 HydrophobicContact CG2-CG2 4.44Å
11	K	58.9	Low	47.4	Very low	48 Å²	48	69.1 Å²	69.1	21%	0.209	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.5	168.3	-70	-176.8	-173.2	168.4	0	110	Y676 D678	K11-Y676 HydrophobicContact CB-CD1 4.31Å; K11-Y676 HydrophobicContact CB-CE1 3.82Å; K11-Y676 HydrophobicContact CB-CE2 4.31Å; K11-Y676 HydrophobicContact CD-CE2 4.32Å; K11-Y676 WeakPolarHBondContact CD-OH 3.36Å; K11-Y676 PolarHBondContact N-O 2.76Å; K11-Y676 PolarHBondContact O-N 2.93Å; K11-D678 HydrophobicContact CD-CB 3.73Å; K11-D678 WeakPolarHBondContact CD-OD2 3.06Å; K11-D678 WeakPolarHBondContact CE-OD2 3.2Å; K11-D678 HydrophobicContact CG-CB 4.19Å; K11-D678 IonicContact NZ-OD2 3.84Å; K11-D678 PolarHBondContact NZ-OD2 3.2Å
12	L	57.1	Low	48.6	Very low	22 Å²	22	62.8 Å²	62.8	12%	0.115	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.5	177.9	164.3	54.7	0	0	0	108.3	I14 R673 L674 F675 H827	L12-I14 HydrophobicContact CD1-CG1 4.44Å; L12-I14 HydrophobicContact CG-CG1 4.31Å; L12-R673 HydrophobicContact CD1-CB 3.87Å; L12-R673 HydrophobicContact CD1-CG 4.28Å; L12-L674 WeakPolarHBondContact CA-O 3.26Å; L12-F675 HydrophobicContact CB-CD1 4.27Å; L12-F675 HydrophobicContact CB-CE1 4.24Å; L12-F675 HydrophobicContact CD1-CD1 4.06Å; L12-F675 HydrophobicContact CD1-CD2 4.04Å; L12-F675 HydrophobicContact CD1-CE1 3.73Å; L12-F675 HydrophobicContact CD1-CE2 3.69Å; L12-F675 HydrophobicContact CD1-CG 4.21Å; L12-F675 HydrophobicContact CD1-CZ 3.54Å; L12-F675 HydrophobicContact CD2-CE1 3.88Å; L12-F675 HydrophobicContact CD2-CZ 4.01Å; L12-F675 HydrophobicContact CG-CE1 4.16Å; L12-F675 HydrophobicContact CG-CZ 4.32Å; L12-H827 HydrophobicContact CD2-CB 4.23Å
13	D	61.5	Low	50	Low	32 Å²	32	62.4 Å²	62.4	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.9	167	-48	-47.5	0	0	0	109.7	L15 R673 L674 R875	D13-L15 HydrophobicContact CB-CD2 4.05Å; D13-L15 PolarHBondContact O-N 3.27Å; D13-R673 WeakPolarHBondContact O-CA 3.47Å; D13-L674 HydrophobicContact CB-CB 4.24Å; D13-L674 PolarHBondContact N-O 2.85Å; D13-L674 PolarHBondContact O-N 3.34Å; D13-R875 VanDerWaalsContact CG-NE 3.34Å; D13-R875 VanDerWaalsContact CG-NH2 3.27Å; D13-R875 IonicContact OD1-CZ 2.76Å; D13-R875 IonicContact OD1-NE 2.76Å; D13-R875 PolarHBondContact OD1-NE 3.06Å; D13-R875 IonicContact OD1-NH2 3.64Å; D13-R875 PolarHBondContact OD1-NH2 3.45Å; D13-R875 IonicContact OD2-CZ 3.99Å; D13-R875 VanDerWaalsContact OD2-CZ 3.24Å; D13-R875 IonicContact OD2-NE 2.77Å; D13-R875 PolarHBondContact OD2-NE 3.22Å; D13-R875 IonicContact OD2-NH2 3.62Å; D13-R875 PolarHBondContact OD2-NH2 3.24Å
14	I	59.5	Low	51.2	Low	26 Å²	26	60 Å²	60	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	96.7	171.1	-61	176.1	0	0	0	107.5	L12 H16 Y19 V819	L12-I14 HydrophobicContact CD1-CG1 4.44Å; L12-I14 HydrophobicContact CG-CG1 4.31Å; I14-H16 HydrophobicContact CG2-CB 3.6Å; I14-H16 PolarHBondContact O-N 3.32Å; I14-Y19 HydrophobicContact CB-CD1 4.38Å; I14-Y19 HydrophobicContact CB-CG 4.26Å; I14-Y19 HydrophobicContact CD1-CD1 4.4Å; I14-Y19 HydrophobicContact CD1-CE1 3.96Å; I14-Y19 HydrophobicContact CD1-CE2 4.46Å; I14-Y19 HydrophobicContact CG2-CD1 4.39Å; I14-Y19 HydrophobicContact CG2-CD2 3.72Å; I14-Y19 HydrophobicContact CG2-CE2 4.12Å; I14-Y19 HydrophobicContact CG2-CG 3.87Å; I14-V819 HydrophobicContact CD1-CG2 3.81Å
15	L	62.4	Low	52.5	Low	4 Å²	4	61.2 Å²	61.2	2%	0.021	33%	0.331	C	S	.	.			trans	-79.7	39.6	179.3	-49.2	173.9	0	0	0	111.6	D13 G671 L672 L674 I874	D13-L15 HydrophobicContact CB-CD2 4.05Å; D13-L15 PolarHBondContact O-N 3.27Å; L15-G671 PolarHBondContact O-N 3.3Å; L15-L672 WeakPolarHBondContact CA-O 3.34Å; L15-L672 VanDerWaalsContact CB-O 3.25Å; L15-L672 WeakPolarHBondContact CB-O 3.4Å; L15-L672 PolarHBondContact N-O 3.26Å; L15-L674 HydrophobicContact CD1-CB 4.08Å; L15-L674 HydrophobicContact CG-CB 4.44Å; L15-I874 HydrophobicContact CD1-CG2 3.7Å
16	H	59.9	Low	53.3	Low	51 Å²	51	64.3 Å²	64.3	24%	0.236	33%	0.334	C	S	.	.			trans	-85.3	138	179.4	-164.8	-69.2	0	0	0	109.7	I14 D18 Y19 L20 L850	I14-H16 HydrophobicContact CG2-CB 3.6Å; I14-H16 PolarHBondContact O-N 3.32Å; H16-D18 VanDerWaalsContact C-N 3.31Å; H16-D18 IonicContact CE1-OD1 3.9Å; H16-D18 PolarHBondContact CE1-OD1 3.04Å; H16-D18 IonicContact CE1-OD2 3.95Å; H16-D18 PolarHBondContact CE1-OD2 3.4Å; H16-D18 VanDerWaalsContact ND1-CG 3.27Å; H16-D18 PolarHBondContact ND1-N 2.7Å; H16-D18 IonicContact ND1-OD1 3.5Å; H16-D18 PolarHBondContact ND1-OD1 3.34Å; H16-D18 VanDerWaalsContact ND1-OD1 3.17Å; H16-D18 IonicContact ND1-OD2 2.73Å; H16-D18 PolarHBondContact O-N 3.41Å; H16-Y19 HydrophobicContact CB-CD2 4.08Å; H16-Y19 PolarHBondContact O-N 2.89Å; H16-L20 WeakPolarHBondContact O-CG 3.25Å; H16-L20 PolarHBondContact O-N 3.1Å; H16-L850 WeakPolarHBondContact CD2-CD1 3.37Å
17	P	54.8	Low	53.5	Low	47 Å²	47	65.2 Å²	65.2	31%	0.305	34%	0.34	S	S	.	.	H	α-helix	trans	-46.1	-51.8	177.1	-31.9	36.4	0	0	0	113.6	Y19 L20 C21 I670 M882	P17-Y19 PolarHBondContact O-N 3.28Å; P17-L20 CarbonylContact O-C 3.55Å; P17-L20 PolarHBondContact O-N 2.91Å; P17-C21 PolarHBondContact O-N 3.45Å; P17-C21 PolarHBondContact O-SG 3.2Å; P17-I670 HydrophobicContact CG-CD1 4.1Å; P17-I670 HydrophobicContact CG-CG1 4.16Å; P17-M882 HydrophobicContact CB-CE 3.82Å; P17-M882 HydrophobicContact CB-SD 4.08Å
18	D	58.6	Low	53.4	Low	105 Å²	105	64.6 Å²	64.6	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-52.7	-52.6	179	-48.5	16.3	0	0	0	112.4	H16 L20 C21	H16-D18 VanDerWaalsContact C-N 3.31Å; H16-D18 IonicContact CE1-OD1 3.9Å; H16-D18 PolarHBondContact CE1-OD1 3.04Å; H16-D18 IonicContact CE1-OD2 3.95Å; H16-D18 PolarHBondContact CE1-OD2 3.4Å; H16-D18 VanDerWaalsContact ND1-CG 3.27Å; H16-D18 PolarHBondContact ND1-N 2.7Å; H16-D18 IonicContact ND1-OD1 3.5Å; H16-D18 PolarHBondContact ND1-OD1 3.34Å; H16-D18 VanDerWaalsContact ND1-OD1 3.17Å; H16-D18 IonicContact ND1-OD2 2.73Å; H16-D18 PolarHBondContact O-N 3.41Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.08Å; D18-C21 WeakPolarHBondContact O-CB 3.23Å; D18-C21 PolarHBondContact O-N 2.69Å
19	Y	61.9	Low	53.1	Low	121 Å²	121	72.4 Å²	72.4	48%	0.475	38%	0.38	S	S	.	.	H	α-helix	trans	-66.5	-26.9	177.8	-80.6	-100.6	0	0	0	113.4	I14 H16 P17	I14-Y19 HydrophobicContact CB-CD1 4.38Å; I14-Y19 HydrophobicContact CB-CG 4.26Å; I14-Y19 HydrophobicContact CD1-CD1 4.4Å; I14-Y19 HydrophobicContact CD1-CE1 3.96Å; I14-Y19 HydrophobicContact CD1-CE2 4.46Å; I14-Y19 HydrophobicContact CG2-CD1 4.39Å; I14-Y19 HydrophobicContact CG2-CD2 3.72Å; I14-Y19 HydrophobicContact CG2-CE2 4.12Å; I14-Y19 HydrophobicContact CG2-CG 3.87Å; H16-Y19 HydrophobicContact CB-CD2 4.08Å; H16-Y19 PolarHBondContact O-N 2.89Å; P17-Y19 PolarHBondContact O-N 3.28Å
20	L	61.9	Low	52.5	Low	12 Å²	12	75.9 Å²	75.9	6%	0.063	41%	0.405	C	S	.	.	H	α-helix	trans	-82.4	-30.4	178	-67.8	168.2	0	0	0	112.3	H16 P17 D18 D22 L23 V24 I670 C878 I879 M882	H16-L20 WeakPolarHBondContact O-CG 3.25Å; H16-L20 PolarHBondContact O-N 3.1Å; P17-L20 CarbonylContact O-C 3.55Å; P17-L20 PolarHBondContact O-N 2.91Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.08Å; L20-D22 VanDerWaalsContact C-N 3.27Å; L20-D22 PolarHBondContact O-N 3.18Å; L20-L23 PolarHBondContact O-N 3.5Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 2.9Å; L20-I670 HydrophobicContact CD1-CG1 4.5Å; L20-C878 HydrophobicContact CD1-CB 3.79Å; L20-I879 HydrophobicContact CD2-CG1 4.18Å; L20-M882 HydrophobicContact CB-CG 4.14Å; L20-M882 HydrophobicContact CD1-CG 4.18Å
21	C	56.6	Low	51.4	Low	43 Å²	43	85.9 Å²	85.9	29%	0.291	44%	0.441	S	S	.	.	H	α-helix	trans	-57.1	-39.4	175.4	-83	0	0	0	0	112.3	P17 D18 L23 V24 N25 M882	P17-C21 PolarHBondContact O-N 3.45Å; P17-C21 PolarHBondContact O-SG 3.2Å; D18-C21 WeakPolarHBondContact O-CB 3.23Å; D18-C21 PolarHBondContact O-N 2.69Å; C21-L23 VanDerWaalsContact C-N 3.28Å; C21-L23 PolarHBondContact O-N 3.28Å; C21-V24 PolarHBondContact O-N 3.46Å; C21-V24 VanDerWaalsContact O-N 3.13Å; C21-N25 PolarHBondContact O-N 2.96Å; C21-N25 VanDerWaalsContact O-N 3.11Å; C21-N25 PolarHBondContact O-ND2 3.04Å; C21-M882 WeakPolarHBondContact SG-CE 3.13Å
22	D	58.3	Low	50.2	Low	113 Å²	113	88.8 Å²	88.8	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-72	-20.8	-176.5	-66.3	-21.1	0	0	0	113.3	L20 K26	L20-D22 VanDerWaalsContact C-N 3.27Å; L20-D22 PolarHBondContact O-N 3.18Å; D22-K26 WeakPolarHBondContact O-CE 3.2Å
23	L	56.5	Low	48.8	Very low	117 Å²	117	94.2 Å²	94.2	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-78.6	-41	165.8	-84.2	87.9	0	0	0	112.2	L20 C21	L20-L23 PolarHBondContact O-N 3.5Å; C21-L23 VanDerWaalsContact C-N 3.28Å; C21-L23 PolarHBondContact O-N 3.28Å
24	V	53.7	Low	47.4	Very low	27 Å²	27	95.7 Å²	95.7	16%	0.164	54%	0.535	C	S	.	.	H	α-helix	trans	-73.1	-30.6	-170.9	170.4	0	0	0	0	113.1	L20 C21 K26 I879 M882 S883	L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 2.9Å; C21-V24 PolarHBondContact O-N 3.46Å; C21-V24 VanDerWaalsContact O-N 3.13Å; V24-K26 VanDerWaalsContact C-N 3.31Å; V24-K26 PolarHBondContact O-N 3.43Å; V24-I879 HydrophobicContact CG2-CG2 4.25Å; V24-M882 HydrophobicContact CG2-CB 4.39Å; V24-S883 WeakPolarHBondContact CG2-OG 3.35Å
25	N	53.3	Low	46	Very low	102 Å²	102	106.8 Å²	106.8	55%	0.545	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.3	13.1	-170.9	-66.8	-44.3	0	0	0	115.4	C21 K888	C21-N25 PolarHBondContact O-N 2.96Å; C21-N25 VanDerWaalsContact O-N 3.11Å; C21-N25 PolarHBondContact O-ND2 3.04Å; N25-K888 PolarHBondContact OD1-NZ 3.02Å; N25-K888 VanDerWaalsContact OD1-NZ 3.15Å
26	K	44.4	Very low	44.4	Very low	159 Å²	159	117.7 Å²	117.7	69%	0.691	62%	0.616	S	S	*	*	S	Bend	trans	-98.7	23.3	-172	-67.8	-172.4	177.6	-177.7	0	116.6	D22 V24	D22-K26 WeakPolarHBondContact O-CE 3.2Å; V24-K26 VanDerWaalsContact C-N 3.31Å; V24-K26 PolarHBondContact O-N 3.43Å
27	T	34.5	Very low	43.1	Very low	126 Å²	126	122.9 Å²	122.9	77%	0.773	65%	0.646	S	S	*	*			trans	-144.1	129.1	178.7	54.1	0	0	0	0	114.9
28	P	32.6	Very low	42	Very low	118 Å²	118	126.8 Å²	126.8	77%	0.766	67%	0.669	S	S	*	*			trans	-117.1	178.9	-178	41.7	-33.5	0	0	0	117.2
29	E	33.1	Very low	40.8	Very low	185 Å²	185	132 Å²	132	86%	0.864	69%	0.686	S	S	*	*			trans	80.1	148.5	167.6	-67.3	-167.1	-153.2	0	0	119.9
30	S	31.8	Very low	39.3	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	70%	0.7	S	S	*	*			cis	-157.2	-163.8	-12.6	59	0	0	0	0	112.4
31	R	28.5	Very low	37.8	Very low	235 Å²	235	138.8 Å²	138.8	89%	0.887	74%	0.742	S	S	*	*			trans	-136.6	157.9	-168.4	-86.3	179	164.2	164.8	-5.4	115.4
32	A	32.9	Very low	36.6	Very low	109 Å²	109	142.6 Å²	142.6	90%	0.901	77%	0.769	S	S	*	*			trans	-141.6	-176.4	175	0	0	0	0	0	114.1
33	C	28.9	Very low	35.3	Very low	137 Å²	137	143.7 Å²	143.7	93%	0.926	78%	0.78	S	S	*	*			trans	-157.5	172.3	-174.7	-165.4	0	0	0	0	114.1
34	G	30.5	Very low	34.1	Very low	63 Å²	63	143.8 Å²	143.8	65%	0.649	79%	0.785	S	S	*	*			trans	-160.4	178.9	179.9	0	0	0	0	0	116.1
35	R	30.6	Very low	33.1	Very low	259 Å²	259	152.2 Å²	152.2	98%	0.977	82%	0.82	S	S	*	*			trans	-169.4	171.5	174.1	-109.4	170	-157.8	-158.5	4.9	114.3
36	R	29.2	Very low	32	Very low	232 Å²	232	150.8 Å²	150.8	88%	0.875	82%	0.818	S	S	*	*			trans	-152.1	161.3	178.4	-143.1	-169.3	-64.1	165.4	-1.6	111.3
37	N	33.3	Very low	31.6	Very low	160 Å²	160	147.6 Å²	147.6	86%	0.856	82%	0.815	S	S	*	*			trans	-146.4	166.7	178.2	-99.8	-5.8	0	0	0	112.9
38	V	31	Very low	31.7	Very low	130 Å²	130	148.7 Å²	148.7	79%	0.788	82%	0.815	S	S	*	*			trans	-145.5	155	-172.6	179.7	0	0	0	0	112
39	F	32.9	Very low	31.7	Very low	214 Å²	214	148.6 Å²	148.6	94%	0.939	81%	0.807	S	S	*	*			trans	-144.3	169.5	169.8	-95.9	-82.4	0	0	0	112
40	G	31.3	Very low	31.9	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	79%	0.79	S	S	*	*			trans	-136.7	-170.6	-172.3	0	0	0	0	0	116.6
41	E	29.7	Very low	32.1	Very low	202 Å²	202	145.2 Å²	145.2	94%	0.944	79%	0.786	S	S	*	*			trans	-103.4	170	-156.9	-54.7	176.3	118.6	0	0	116.9
42	S	31.8	Very low	32.4	Very low	123 Å²	123	136.9 Å²	136.9	86%	0.86	77%	0.767	S	S	*	*			trans	-155.9	168.5	159.2	63.5	0	0	0	0	112.4
43	V	31.8	Very low	32.6	Very low	136 Å²	136	136.9 Å²	136.9	82%	0.824	75%	0.751	S	S	*	*			trans	-115.1	157	-155.9	170.3	0	0	0	0	115.5
44	T	30.8	Very low	33.3	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.724	72%	0.723	S	S	*	*			trans	-29.8	149	-173.9	55.9	0	0	0	0	121.2
45	K	31.9	Very low	33.8	Very low	204 Å²	204	137.3 Å²	137.3	89%	0.887	72%	0.723	S	S	*	*			trans	-135.9	26.1	176.6	-151.7	179.6	-171.7	179.2	0	113.6
46	S	31.3	Very low	34.3	Very low	73 Å²	73	129.8 Å²	129.8	51%	0.51	70%	0.699	S	S	.	*			trans	-94.6	-26.6	-152.2	45.6	0	0	0	0	118.4	I48 L49	S46-I48 PolarHBondContact O-N 3.2Å; S46-L49 PolarHBondContact O-N 3Å
47	S	34.4	Very low	34.9	Very low	91 Å²	91	126.1 Å²	126.1	64%	0.636	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-27.1	-164.6	58.5	0	0	0	0	115.7
48	I	37.2	Very low	35.7	Very low	149 Å²	149	123.1 Å²	123.1	76%	0.764	67%	0.669	S	S	*	*	H	α-helix	trans	-84.1	-12.2	-176.1	-63.1	168.9	0	0	0	112.3	S46	S46-I48 PolarHBondContact O-N 3.2Å
49	L	32.9	Very low	36.7	Very low	117 Å²	117	122.5 Å²	122.5	61%	0.613	66%	0.656	S	S	*	*	H	α-helix	trans	-89.2	-16.6	-177.4	-96.1	162.2	0	0	0	114.4	S46 L53	S46-L49 PolarHBondContact O-N 3Å; L49-L53 WeakPolarHBondContact O-CD1 3.45Å; L49-L53 VanDerWaalsContact O-CG 3.27Å; L49-L53 WeakPolarHBondContact O-CG 3.26Å
50	L	36.5	Very low	37.6	Very low	94 Å²	94	116.9 Å²	116.9	49%	0.492	63%	0.634	S	S	.	*	H	α-helix	trans	-77	-53.4	-175	-75.6	160.6	0	0	0	112.1	A52 L53 D54	L50-A52 PolarHBondContact O-N 3.32Å; L50-L53 WeakPolarHBondContact O-CB 3.47Å; L50-L53 PolarHBondContact O-N 2.79Å; L50-D54 PolarHBondContact O-N 3.01Å
51	D	36.7	Very low	38.6	Very low	130 Å²	130	118.6 Å²	118.6	70%	0.695	62%	0.621	S	S	*	*	H	α-helix	trans	-57.4	-38.4	-177.9	-53.3	-13.9	0	0	0	112.5	L53 F55	D51-L53 VanDerWaalsContact C-N 3.3Å; D51-L53 PolarHBondContact O-N 3.39Å; D51-F55 PolarHBondContact O-N 2.79Å
52	A	34.1	Very low	40	Very low	59 Å²	59	114.1 Å²	114.1	49%	0.488	60%	0.603	S	S	.	*	H	α-helix	trans	-67.1	-28.5	177.3	0	0	0	0	0	113.1	L50 Q56	L50-A52 PolarHBondContact O-N 3.32Å; A52-Q56 VanDerWaalsContact O-CG 3.31Å; A52-Q56 WeakPolarHBondContact O-CG 3.27Å
53	L	37.6	Very low	40.9	Very low	109 Å²	109	112.8 Å²	112.8	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-79.6	-44.2	179.6	-75.7	170.6	0	0	0	112	L49 L50 D51 Q56 R57	L49-L53 WeakPolarHBondContact O-CD1 3.45Å; L49-L53 VanDerWaalsContact O-CG 3.27Å; L49-L53 WeakPolarHBondContact O-CG 3.26Å; L50-L53 WeakPolarHBondContact O-CB 3.47Å; L50-L53 PolarHBondContact O-N 2.79Å; D51-L53 VanDerWaalsContact C-N 3.3Å; D51-L53 PolarHBondContact O-N 3.39Å; L53-Q56 WeakPolarHBondContact O-CB 3.26Å; L53-Q56 PolarHBondContact O-N 3.43Å; L53-R57 WeakPolarHBondContact O-CB 3.13Å; L53-R57 PolarHBondContact O-N 2.92Å
54	D	44	Very low	41.8	Very low	61 Å²	61	111 Å²	111	33%	0.326	57%	0.571	S	S	.	*	H	α-helix	trans	-74.1	-28.1	-178.4	-79.8	-39.9	0	0	0	113.3	L50 R57 N58	L50-D54 PolarHBondContact O-N 3.01Å; D54-R57 WeakPolarHBondContact O-CB 3.36Å; D54-R57 PolarHBondContact O-N 3.4Å; D54-R57 WeakPolarHBondContact OD1-CD 3.36Å; D54-R57 IonicContact OD1-CZ 3.79Å; D54-R57 IonicContact OD1-NE 3.83Å; D54-R57 IonicContact OD1-NH1 3.77Å; D54-R57 PolarHBondContact OD1-NH1 3.35Å; D54-N58 PolarHBondContact O-N 2.81Å
55	F	41.3	Very low	43.1	Very low	148 Å²	148	109.9 Å²	109.9	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-61.7	-43.6	167.5	-174.1	-98.3	0	0	0	111.8	D51 K59	D51-F55 PolarHBondContact O-N 2.79Å; F55-K59 WeakPolarHBondContact O-CB 3.41Å; F55-K59 PolarHBondContact O-N 3.22Å; F55-K59 VanDerWaalsContact O-N 3.11Å
56	Q	40.5	Very low	44.3	Very low	101 Å²	101	107 Å²	107	47%	0.472	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-41.4	172.7	-71.1	-71.3	-4.1	0	0	111.4	A52 L53 N58 K59 I60	A52-Q56 VanDerWaalsContact O-CG 3.31Å; A52-Q56 WeakPolarHBondContact O-CG 3.27Å; L53-Q56 WeakPolarHBondContact O-CB 3.26Å; L53-Q56 PolarHBondContact O-N 3.43Å; Q56-N58 PolarHBondContact O-N 2.88Å; Q56-K59 PolarHBondContact O-N 3Å; Q56-I60 HydrophobicContact CB-CD1 4.44Å; Q56-I60 VanDerWaalsContact O-CB 3.29Å; Q56-I60 WeakPolarHBondContact O-CB 3.41Å; Q56-I60 WeakPolarHBondContact O-CD1 3.44Å; Q56-I60 WeakPolarHBondContact O-CG1 3.23Å; Q56-I60 PolarHBondContact O-N 2.96Å
57	R	42.4	Very low	45.3	Very low	155 Å²	155	106.9 Å²	106.9	59%	0.585	55%	0.547	S	S	*	.	H	α-helix	trans	-61.4	-43.8	-178.1	-157	178.6	-160.5	170.5	3.5	112.5	L53 D54 K61	L53-R57 WeakPolarHBondContact O-CB 3.13Å; L53-R57 PolarHBondContact O-N 2.92Å; D54-R57 WeakPolarHBondContact O-CB 3.36Å; D54-R57 PolarHBondContact O-N 3.4Å; D54-R57 WeakPolarHBondContact OD1-CD 3.36Å; D54-R57 IonicContact OD1-CZ 3.79Å; D54-R57 IonicContact OD1-NE 3.83Å; D54-R57 IonicContact OD1-NH1 3.77Å; D54-R57 PolarHBondContact OD1-NH1 3.35Å; R57-K61 WeakPolarHBondContact O-CB 3.4Å; R57-K61 PolarHBondContact O-N 3.09Å
58	N	49.9	Very low	46.2	Very low	98 Å²	98	105.7 Å²	105.7	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-72	-39.5	176.2	-76.1	-27.9	0	0	0	112.2	D54 Q56 I60 K61 N62	D54-N58 PolarHBondContact O-N 2.81Å; Q56-N58 PolarHBondContact O-N 2.88Å; N58-I60 VanDerWaalsContact C-N 3.35Å; N58-I60 PolarHBondContact O-N 3.29Å; N58-K61 PolarHBondContact O-N 3.34Å; N58-N62 PolarHBondContact O-N 3.5Å; N58-N62 VanDerWaalsContact O-N 3.09Å
59	K	52.4	Low	47.1	Very low	116 Å²	116	107 Å²	107	50%	0.504	53%	0.533	S	S	.	.	H	α-helix	trans	-62	-41.9	173.7	-168.7	174.2	-176.1	177	0	112.1	F55 Q56 N62 L63	F55-K59 WeakPolarHBondContact O-CB 3.41Å; F55-K59 PolarHBondContact O-N 3.22Å; F55-K59 VanDerWaalsContact O-N 3.11Å; Q56-K59 PolarHBondContact O-N 3Å; K59-N62 PolarHBondContact O-N 3.29Å; K59-L63 HydrophobicContact CG-CD1 4.07Å; K59-L63 WeakPolarHBondContact O-CB 3.29Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.47Å
60	I	50.3	Low	48.1	Very low	96 Å²	96	109.1 Å²	109.1	49%	0.492	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-44.1	174.6	-70.5	165.2	0	0	0	110.6	Q56 N58 N62 L63 L64	Q56-I60 HydrophobicContact CB-CD1 4.44Å; Q56-I60 VanDerWaalsContact O-CB 3.29Å; Q56-I60 WeakPolarHBondContact O-CB 3.41Å; Q56-I60 WeakPolarHBondContact O-CD1 3.44Å; Q56-I60 WeakPolarHBondContact O-CG1 3.23Å; Q56-I60 PolarHBondContact O-N 2.96Å; N58-I60 VanDerWaalsContact C-N 3.35Å; N58-I60 PolarHBondContact O-N 3.29Å; I60-N62 VanDerWaalsContact C-N 3.3Å; I60-N62 PolarHBondContact O-N 2.91Å; I60-L63 PolarHBondContact O-N 2.78Å; I60-L64 WeakPolarHBondContact O-CB 3.46Å; I60-L64 PolarHBondContact O-N 3.3Å
61	K	53.3	Low	48.7	Very low	111 Å²	111	112.2 Å²	112.2	48%	0.483	55%	0.55	S	S	.	.	H	α-helix	trans	-54.5	-45.6	176	-114.4	-176.5	177.4	-178.2	0	112.3	R57 N58 N65	R57-K61 WeakPolarHBondContact O-CB 3.4Å; R57-K61 PolarHBondContact O-N 3.09Å; N58-K61 PolarHBondContact O-N 3.34Å; K61-N65 WeakPolarHBondContact O-CB 3.48Å; K61-N65 PolarHBondContact O-N 3.45Å; K61-N65 PolarHBondContact O-ND2 2.97Å
62	N	59	Low	49	Very low	107 Å²	107	108.5 Å²	108.5	57%	0.572	53%	0.53	S	S	*	.	H	α-helix	trans	-71.6	-47.9	-179	-68.4	-5.3	0	0	0	111.4	N58 K59 I60 L64 N65 E66	N58-N62 PolarHBondContact O-N 3.5Å; N58-N62 VanDerWaalsContact O-N 3.09Å; K59-N62 PolarHBondContact O-N 3.29Å; I60-N62 VanDerWaalsContact C-N 3.3Å; I60-N62 PolarHBondContact O-N 2.91Å; N62-L64 VanDerWaalsContact C-N 3.28Å; N62-L64 PolarHBondContact O-N 3.11Å; N62-N65 PolarHBondContact O-N 2.87Å; N62-E66 PolarHBondContact O-N 2.99Å; N62-E66 VanDerWaalsContact O-N 3.08Å
63	L	51.3	Low	49.5	Very low	96 Å²	96	110 Å²	110	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-58.4	-38.7	174.8	-75.8	168.4	0	0	0	112.6	K59 I60 T67	K59-L63 HydrophobicContact CG-CD1 4.07Å; K59-L63 WeakPolarHBondContact O-CB 3.29Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.47Å; I60-L63 PolarHBondContact O-N 2.78Å; L63-T67 WeakPolarHBondContact O-CB 3.19Å; L63-T67 PolarHBondContact O-N 3.45Å; L63-T67 PolarHBondContact O-OG1 2.99Å
64	L	51.3	Low	50	Low	97 Å²	97	110.9 Å²	110.9	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-69.6	-41.6	178.2	-162.7	77.8	0	0	0	111.1	I60 N62 E66 L68	I60-L64 WeakPolarHBondContact O-CB 3.46Å; I60-L64 PolarHBondContact O-N 3.3Å; N62-L64 VanDerWaalsContact C-N 3.28Å; N62-L64 PolarHBondContact O-N 3.11Å; L64-E66 VanDerWaalsContact C-N 3.35Å; L64-E66 PolarHBondContact O-N 3.36Å; L64-L68 HydrophobicContact CD1-CD1 4.35Å; L64-L68 HydrophobicContact CD1-CG 4.38Å; L64-L68 HydrophobicContact CD2-CD1 4.14Å; L64-L68 HydrophobicContact CG-CD1 3.74Å; L64-L68 HydrophobicContact CG-CG 4.12Å; L64-L68 WeakPolarHBondContact O-CB 3.36Å; L64-L68 VanDerWaalsContact O-CG 3.23Å; L64-L68 WeakPolarHBondContact O-CG 3.1Å; L64-L68 PolarHBondContact O-N 3.25Å
65	N	56.8	Low	50.2	Low	95 Å²	95	113.7 Å²	113.7	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-64.5	-34.3	177.5	-84.8	-22.8	0	0	0	113.5	K61 N62 K69	K61-N65 WeakPolarHBondContact O-CB 3.48Å; K61-N65 PolarHBondContact O-N 3.45Å; K61-N65 PolarHBondContact O-ND2 2.97Å; N62-N65 PolarHBondContact O-N 2.87Å; N65-K69 WeakPolarHBondContact O-CD 3.23Å; N65-K69 VanDerWaalsContact O-CG 3.25Å; N65-K69 WeakPolarHBondContact O-CG 3.42Å
66	E	56.8	Low	50.7	Low	145 Å²	145	110.6 Å²	110.6	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-80.5	-49	174.8	-60.9	-158.1	137.8	0	0	111.4	N62 L64 L68 K69 E70	N62-E66 PolarHBondContact O-N 2.99Å; N62-E66 VanDerWaalsContact O-N 3.08Å; L64-E66 VanDerWaalsContact C-N 3.35Å; L64-E66 PolarHBondContact O-N 3.36Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 2.83Å; E66-K69 PolarHBondContact O-N 3.2Å; E66-K69 VanDerWaalsContact O-N 3.1Å; E66-E70 PolarHBondContact O-N 3.1Å
67	T	53.1	Low	51.2	Low	70 Å²	70	114.6 Å²	114.6	43%	0.429	58%	0.577	S	S	.	*	H	α-helix	trans	-64.1	-33.3	-177.9	-49.6	0	0	0	0	112.8	L63 K71	L63-T67 WeakPolarHBondContact O-CB 3.19Å; L63-T67 PolarHBondContact O-N 3.45Å; L63-T67 PolarHBondContact O-OG1 2.99Å; T67-K71 HydrophobicContact CG2-CD 4.28Å; T67-K71 WeakPolarHBondContact O-CB 3.29Å; T67-K71 PolarHBondContact O-N 3.05Å
68	L	52.8	Low	51.7	Low	66 Å²	66	109.5 Å²	109.5	35%	0.346	57%	0.573	S	S	.	*	H	α-helix	trans	-70.1	-40.4	173.8	-76.2	177.6	0	0	0	112	L64 E66 E70 K71 L72	L64-L68 HydrophobicContact CD1-CD1 4.35Å; L64-L68 HydrophobicContact CD1-CG 4.38Å; L64-L68 HydrophobicContact CD2-CD1 4.14Å; L64-L68 HydrophobicContact CG-CD1 3.74Å; L64-L68 HydrophobicContact CG-CG 4.12Å; L64-L68 WeakPolarHBondContact O-CB 3.36Å; L64-L68 VanDerWaalsContact O-CG 3.23Å; L64-L68 WeakPolarHBondContact O-CG 3.1Å; L64-L68 PolarHBondContact O-N 3.25Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 2.83Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-E70 PolarHBondContact O-N 3.25Å; L68-K71 PolarHBondContact O-N 2.87Å; L68-L72 HydrophobicContact CB-CD1 3.78Å; L68-L72 HydrophobicContact CB-CG 4.32Å; L68-L72 HydrophobicContact CD2-CD1 4.2Å; L68-L72 HydrophobicContact CD2-CD2 4.42Å; L68-L72 HydrophobicContact CD2-CG 4.22Å; L68-L72 HydrophobicContact CG-CD1 4.46Å; L68-L72 VanDerWaalsContact O-CB 3.26Å; L68-L72 WeakPolarHBondContact O-CB 3.4Å; L68-L72 WeakPolarHBondContact O-CD1 2.97Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.45Å
69	K	55.7	Low	51.7	Low	176 Å²	176	110.8 Å²	110.8	77%	0.765	58%	0.579	S	S	*	*	H	α-helix	trans	-59.4	-37.5	179.8	-81.7	175.4	-179.4	178.1	0	112.3	N65 E66	N65-K69 WeakPolarHBondContact O-CD 3.23Å; N65-K69 VanDerWaalsContact O-CG 3.25Å; N65-K69 WeakPolarHBondContact O-CG 3.42Å; E66-K69 PolarHBondContact O-N 3.2Å; E66-K69 VanDerWaalsContact O-N 3.1Å
70	E	53.7	Low	51.6	Low	161 Å²	161	108.8 Å²	108.8	75%	0.752	57%	0.573	S	S	*	*	H	α-helix	trans	-81.9	-24.6	178.2	-62.9	-165.8	140.6	0	0	114.4	E66 L68	E66-E70 PolarHBondContact O-N 3.1Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-E70 PolarHBondContact O-N 3.25Å
71	K	49.9	Very low	51.9	Low	159 Å²	159	107 Å²	107	69%	0.691	57%	0.57	S	S	*	*	H	α-helix	trans	-110.2	9.7	-173.7	-61.8	-167.1	178.3	-175.6	0	115.8	T67 L68	T67-K71 HydrophobicContact CG2-CD 4.28Å; T67-K71 WeakPolarHBondContact O-CB 3.29Å; T67-K71 PolarHBondContact O-N 3.05Å; L68-K71 PolarHBondContact O-N 2.87Å
72	L	43	Very low	52.4	Low	53 Å²	53	105.5 Å²	105.5	28%	0.277	57%	0.57	S	S	.	*			trans	-95.6	6.5	176.9	-77.6	170.9	0	0	0	114.8	L68 T74 N76 L80	L68-L72 HydrophobicContact CB-CD1 3.78Å; L68-L72 HydrophobicContact CB-CG 4.32Å; L68-L72 HydrophobicContact CD2-CD1 4.2Å; L68-L72 HydrophobicContact CD2-CD2 4.42Å; L68-L72 HydrophobicContact CD2-CG 4.22Å; L68-L72 HydrophobicContact CG-CD1 4.46Å; L68-L72 VanDerWaalsContact O-CB 3.26Å; L68-L72 WeakPolarHBondContact O-CB 3.4Å; L68-L72 WeakPolarHBondContact O-CD1 2.97Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.45Å; L72-T74 VanDerWaalsContact C-N 3.34Å; L72-T74 PolarHBondContact O-N 3.23Å; L72-N76 HydrophobicContact CD2-CB 3.82Å; L72-L80 HydrophobicContact CD1-CD1 3.95Å; L72-L80 HydrophobicContact CD1-CD2 3.84Å; L72-L80 HydrophobicContact CD1-CG 4.24Å; L72-L80 HydrophobicContact CD2-CD1 3.78Å; L72-L80 HydrophobicContact CD2-CG 4.15Å; L72-L80 HydrophobicContact CG-CD1 4.41Å
73	S	43.9	Very low	52.3	Low	91 Å²	91	103.4 Å²	103.4	64%	0.636	57%	0.567	S	S	*	*	S	Bend	trans	-67.1	90.8	165.6	41.2	0	0	0	0	110.4
74	T	48	Very low	53	Low	127 Å²	127	103.4 Å²	103.4	78%	0.779	56%	0.564	S	S	*	*	S	Bend	trans	82.8	155.8	179.9	77.3	0	0	0	0	116.9	L72 N76	L72-T74 VanDerWaalsContact C-N 3.34Å; L72-T74 PolarHBondContact O-N 3.23Å; T74-N76 PolarHBondContact O-N 3.4Å
75	S	48.4	Very low	53.9	Low	119 Å²	119	105.4 Å²	105.4	83%	0.832	57%	0.569	S	S	*	*	S	Bend	trans	78.3	-50.3	177.3	-146	0	0	0	0	119.6	K77	S75-K77 PolarHBondContact O-N 2.97Å
76	N	52.7	Low	54.6	Low	84 Å²	84	105.3 Å²	105.3	45%	0.449	57%	0.569	S	S	.	*			trans	-93.6	29.1	-161.7	-103.9	-35.2	0	0	0	118.9	L72 T74 G78	L72-N76 HydrophobicContact CD2-CB 3.82Å; T74-N76 PolarHBondContact O-N 3.4Å; N76-G78 VanDerWaalsContact C-N 3.32Å; N76-G78 PolarHBondContact O-N 3.28Å
77	K	50.7	Low	55.3	Low	184 Å²	184	102.8 Å²	102.8	80%	0.8	56%	0.559	S	S	*	*	H	α-helix	trans	-62.3	-29.1	-176.5	-71	-172.3	177.6	-177.5	0	115.2	S75 S81	S75-K77 PolarHBondContact O-N 2.97Å; K77-S81 PolarHBondContact O-N 3.21Å
78	G	52.6	Low	56.4	Low	48 Å²	48	103.5 Å²	103.5	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-68	-54.6	-177.1	0	0	0	0	0	113.3	N76 L80 S81 V82	N76-G78 VanDerWaalsContact C-N 3.32Å; N76-G78 PolarHBondContact O-N 3.28Å; G78-L80 VanDerWaalsContact C-N 3.32Å; G78-L80 PolarHBondContact O-N 2.91Å; G78-S81 WeakPolarHBondContact O-CB 3.38Å; G78-S81 PolarHBondContact O-N 2.85Å; G78-S81 PolarHBondContact O-OG 3.32Å; G78-V82 PolarHBondContact O-N 3.23Å
79	L	49.8	Very low	57.4	Low	125 Å²	125	103.3 Å²	103.3	65%	0.654	56%	0.564	S	S	*	*	H	α-helix	trans	-61.4	-38.8	-179.8	-83.8	157.3	0	0	0	112.5	S81 V82 A83	L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 2.87Å; L79-V82 PolarHBondContact O-N 3.42Å; L79-A83 PolarHBondContact O-N 3.21Å
80	L	50.3	Low	58.3	Low	75 Å²	75	99.3 Å²	99.3	39%	0.393	55%	0.551	S	S	.	*	H	α-helix	trans	-51.9	-45.4	170.2	-85.5	169.5	0	0	0	112.5	L72 G78 V82 A83 Q84	L72-L80 HydrophobicContact CD1-CD1 3.95Å; L72-L80 HydrophobicContact CD1-CD2 3.84Å; L72-L80 HydrophobicContact CD1-CG 4.24Å; L72-L80 HydrophobicContact CD2-CD1 3.78Å; L72-L80 HydrophobicContact CD2-CG 4.15Å; L72-L80 HydrophobicContact CG-CD1 4.41Å; G78-L80 VanDerWaalsContact C-N 3.32Å; G78-L80 PolarHBondContact O-N 2.91Å; L80-V82 PolarHBondContact O-N 2.97Å; L80-A83 PolarHBondContact O-N 2.72Å; L80-Q84 VanDerWaalsContact O-CB 3.27Å; L80-Q84 WeakPolarHBondContact O-CB 3.31Å; L80-Q84 PolarHBondContact O-N 3.33Å
81	S	57.4	Low	59.3	Low	59 Å²	59	94.8 Å²	94.8	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-69.5	-17.9	-176.5	79	0	0	0	0	114.3	K77 G78 L79 K85	K77-S81 PolarHBondContact O-N 3.21Å; G78-S81 WeakPolarHBondContact O-CB 3.38Å; G78-S81 PolarHBondContact O-N 2.85Å; G78-S81 PolarHBondContact O-OG 3.32Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 2.87Å; S81-K85 VanDerWaalsContact O-CD 3.26Å; S81-K85 WeakPolarHBondContact O-CD 3.43Å; S81-K85 WeakPolarHBondContact O-CE 3.41Å; S81-K85 VanDerWaalsContact O-CG 3.26Å; S81-K85 WeakPolarHBondContact O-CG 3.37Å
82	V	63.3	Low	60.8	Low	79 Å²	79	94.2 Å²	94.2	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-88.3	-52.6	173.5	-178	0	0	0	0	109.4	G78 L79 L80 Q84 K85 D86	G78-V82 PolarHBondContact O-N 3.23Å; L79-V82 PolarHBondContact O-N 3.42Å; L80-V82 PolarHBondContact O-N 2.97Å; V82-Q84 PolarHBondContact O-N 3.27Å; V82-K85 WeakPolarHBondContact O-CB 3.5Å; V82-K85 PolarHBondContact O-N 2.83Å; V82-D86 PolarHBondContact O-N 3.16Å
83	A	56.4	Low	62.6	Low	63 Å²	63	95 Å²	95	52%	0.521	53%	0.528	S	S	.	.	H	α-helix	trans	-57.2	-36.1	178.5	0	0	0	0	0	112.8	L79 L80 L87	L79-A83 PolarHBondContact O-N 3.21Å; L80-A83 PolarHBondContact O-N 2.72Å; A83-L87 WeakPolarHBondContact O-CB 3.47Å; A83-L87 PolarHBondContact O-N 3.26Å
84	Q	67.4	Low	64.2	Low	95 Å²	95	95.7 Å²	95.7	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-42.7	173.6	-171.8	63.3	51.3	0	0	112.1	L80 V82 D86 L87 D88	L80-Q84 VanDerWaalsContact O-CB 3.27Å; L80-Q84 WeakPolarHBondContact O-CB 3.31Å; L80-Q84 PolarHBondContact O-N 3.33Å; V82-Q84 PolarHBondContact O-N 3.27Å; Q84-D86 VanDerWaalsContact C-N 3.32Å; Q84-D86 PolarHBondContact O-N 2.67Å; Q84-L87 WeakPolarHBondContact O-CB 3.47Å; Q84-L87 PolarHBondContact O-N 3.22Å; Q84-D88 PolarHBondContact NE2-OD1 3.14Å; Q84-D88 WeakPolarHBondContact O-CB 3.27Å; Q84-D88 PolarHBondContact O-N 3.3Å
85	K	70.1	Confident	66	Low	139 Å²	139	95.8 Å²	95.8	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-63.4	-38.4	177.5	-73.2	170.1	-175.4	173.2	0	112.1	S81 V82 S89	S81-K85 VanDerWaalsContact O-CD 3.26Å; S81-K85 WeakPolarHBondContact O-CD 3.43Å; S81-K85 WeakPolarHBondContact O-CE 3.41Å; S81-K85 VanDerWaalsContact O-CG 3.26Å; S81-K85 WeakPolarHBondContact O-CG 3.37Å; V82-K85 WeakPolarHBondContact O-CB 3.5Å; V82-K85 PolarHBondContact O-N 2.83Å; K85-S89 VanDerWaalsContact O-CB 3.23Å; K85-S89 WeakPolarHBondContact O-CB 3.31Å; K85-S89 PolarHBondContact O-N 2.94Å
86	D	70.3	Confident	67.7	Low	94 Å²	94	94 Å²	94	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-40.7	175.5	-66	-34.1	0	0	0	111.1	V82 Q84 S89 I90	V82-D86 PolarHBondContact O-N 3.16Å; Q84-D86 VanDerWaalsContact C-N 3.32Å; Q84-D86 PolarHBondContact O-N 2.67Å; D86-S89 WeakPolarHBondContact O-CB 3.33Å; D86-S89 PolarHBondContact O-N 3.33Å; D86-I90 VanDerWaalsContact O-CG1 3.29Å; D86-I90 WeakPolarHBondContact O-CG1 3.35Å; D86-I90 PolarHBondContact O-N 2.95Å
87	L	71.7	Confident	69.2	Low	91 Å²	91	90.3 Å²	90.3	48%	0.476	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-47.2	173.6	-161.9	81.6	0	0	0	111.9	A83 Q84 S89 I90 E91	A83-L87 WeakPolarHBondContact O-CB 3.47Å; A83-L87 PolarHBondContact O-N 3.26Å; Q84-L87 WeakPolarHBondContact O-CB 3.47Å; Q84-L87 PolarHBondContact O-N 3.22Å; L87-S89 VanDerWaalsContact C-N 3.28Å; L87-S89 PolarHBondContact O-N 2.77Å; L87-I90 PolarHBondContact O-N 3.28Å; L87-E91 WeakPolarHBondContact O-CB 3.33Å; L87-E91 PolarHBondContact O-N 3.34Å
88	D	76.4	Confident	70.8	Confident	85 Å²	85	85.4 Å²	85.4	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-62.1	-36.6	177.4	-64.4	-20.3	0	0	0	111.3	Q84 K92	Q84-D88 PolarHBondContact NE2-OD1 3.14Å; Q84-D88 WeakPolarHBondContact O-CB 3.27Å; Q84-D88 PolarHBondContact O-N 3.3Å; D88-K92 VanDerWaalsContact O-CB 3.23Å; D88-K92 WeakPolarHBondContact O-CB 3.41Å; D88-K92 PolarHBondContact O-N 3Å
89	S	74.5	Confident	72.5	Confident	62 Å²	62	86.4 Å²	86.4	43%	0.434	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-44.3	176	-173.4	0	0	0	0	112.1	K85 D86 L87 K92 K93	K85-S89 VanDerWaalsContact O-CB 3.23Å; K85-S89 WeakPolarHBondContact O-CB 3.31Å; K85-S89 PolarHBondContact O-N 2.94Å; D86-S89 WeakPolarHBondContact O-CB 3.33Å; D86-S89 PolarHBondContact O-N 3.33Å; L87-S89 VanDerWaalsContact C-N 3.28Å; L87-S89 PolarHBondContact O-N 2.77Å; S89-K92 PolarHBondContact O-N 2.92Å; S89-K93 PolarHBondContact O-N 3Å
90	I	74	Confident	74.4	Confident	93 Å²	93	80.7 Å²	80.7	48%	0.477	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.3	-69.2	163.6	0	0	0	110.7	D86 L87 K93 R94	D86-I90 VanDerWaalsContact O-CG1 3.29Å; D86-I90 WeakPolarHBondContact O-CG1 3.35Å; D86-I90 PolarHBondContact O-N 2.95Å; L87-I90 PolarHBondContact O-N 3.28Å; I90-K93 WeakPolarHBondContact O-CB 3.46Å; I90-K93 PolarHBondContact O-N 3.36Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 2.97Å
91	E	75.6	Confident	76.1	Confident	65 Å²	65	78.6 Å²	78.6	30%	0.304	40%	0.402	S	S	.	.	H	α-helix	trans	-68.3	-36.4	179.3	-176.1	56.4	-161.3	0	0	112	L87 R94 K95	L87-E91 WeakPolarHBondContact O-CB 3.33Å; L87-E91 PolarHBondContact O-N 3.34Å; E91-R94 PolarHBondContact O-N 3.13Å; E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 2.97Å; E91-K95 WeakPolarHBondContact OE1-CE 3.24Å; E91-K95 IonicContact OE1-NZ 3.54Å
92	K	81	Confident	77.5	Confident	148 Å²	148	80.2 Å²	80.2	64%	0.643	41%	0.406	S	S	*	.	H	α-helix	trans	-61.7	-44	170.3	-175.5	177.8	-179.3	-179.7	0	111.5	D88 S89 K95 I96	D88-K92 VanDerWaalsContact O-CB 3.23Å; D88-K92 WeakPolarHBondContact O-CB 3.41Å; D88-K92 PolarHBondContact O-N 3Å; S89-K92 PolarHBondContact O-N 2.92Å; K92-K95 PolarHBondContact O-N 3.21Å; K92-I96 HydrophobicContact CG-CD1 4.19Å; K92-I96 VanDerWaalsContact O-CG1 3.31Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å; K92-I96 PolarHBondContact O-N 2.91Å; K92-I96 VanDerWaalsContact O-N 3.1Å
93	K	79.5	Confident	78.9	Confident	69 Å²	69	79.1 Å²	79.1	30%	0.3	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-45.8	174.2	-81.6	175.3	154.7	-128.8	0	111.9	S89 I90 K95 I96 A97 T253	S89-K93 PolarHBondContact O-N 3Å; I90-K93 WeakPolarHBondContact O-CB 3.46Å; I90-K93 PolarHBondContact O-N 3.36Å; K93-K95 PolarHBondContact O-N 3.44Å; K93-I96 PolarHBondContact O-N 3.43Å; K93-A97 PolarHBondContact O-N 2.7Å; K93-T253 WeakPolarHBondContact CD-O 3.44Å; K93-T253 WeakPolarHBondContact CE-O 3.47Å; K93-T253 PolarHBondContact NZ-O 2.68Å
94	R	78.8	Confident	80.5	Confident	106 Å²	106	76.2 Å²	76.2	40%	0.4	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-42.9	176.6	-76.1	172.9	155.8	-138.9	-19.7	112.7	I90 E91 A97 R98 D165	I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 2.97Å; E91-R94 PolarHBondContact O-N 3.13Å; R94-A97 PolarHBondContact O-N 2.92Å; R94-R98 PolarHBondContact O-N 2.64Å; R94-D165 IonicContact NH2-OD1 3.38Å
95	K	84.3	Confident	81.4	Confident	128 Å²	128	73.4 Å²	73.4	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-64.1	-38.5	175.6	-73.7	171.9	179.9	163.3	0	112.8	E91 K92 K93 S99	E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 2.97Å; E91-K95 WeakPolarHBondContact OE1-CE 3.24Å; E91-K95 IonicContact OE1-NZ 3.54Å; K92-K95 PolarHBondContact O-N 3.21Å; K93-K95 PolarHBondContact O-N 3.44Å; K95-S99 WeakPolarHBondContact O-CB 3.48Å; K95-S99 PolarHBondContact O-N 2.92Å
96	I	85.2	Confident	82.3	Confident	81 Å²	81	70.6 Å²	70.6	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-68	-41.8	174	-61.8	162.4	0	0	0	110.5	K92 K93 S99 V100 T253	K92-I96 HydrophobicContact CG-CD1 4.19Å; K92-I96 VanDerWaalsContact O-CG1 3.31Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å; K92-I96 PolarHBondContact O-N 2.91Å; K92-I96 VanDerWaalsContact O-N 3.1Å; K93-I96 PolarHBondContact O-N 3.43Å; I96-S99 PolarHBondContact O-N 3.03Å; I96-V100 HydrophobicContact CG2-CG2 4.43Å; I96-V100 WeakPolarHBondContact O-CG2 3.45Å; I96-V100 PolarHBondContact O-N 3.41Å; I96-T253 HydrophobicContact CB-CG2 4.09Å; I96-T253 HydrophobicContact CG2-CG2 3.66Å
97	A	84.8	Confident	83.3	Confident	7 Å²	7	68.4 Å²	68.4	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-49.1	178.3	0	0	0	0	0	111.9	K93 R94 V100 F101 V166 L250 T253	K93-A97 PolarHBondContact O-N 2.7Å; R94-A97 PolarHBondContact O-N 2.92Å; A97-V100 PolarHBondContact O-N 2.61Å; A97-F101 PolarHBondContact O-N 3.05Å; A97-V166 HydrophobicContact CB-CB 4.48Å; A97-V166 HydrophobicContact CB-CG1 4.4Å; A97-V166 HydrophobicContact CB-CG2 4.2Å; A97-L250 HydrophobicContact CB-CD1 3.93Å; A97-T253 HydrophobicContact CB-CG2 4.27Å; A97-T253 WeakPolarHBondContact CB-OG1 3.37Å
98	R	83.9	Confident	84.2	Confident	82 Å²	82	64.1 Å²	64.1	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-57.9	-50.7	173.8	-71.8	177.7	179.2	159.4	-4.7	111	R94 V100 F101 D102 E164 V166	R94-R98 PolarHBondContact O-N 2.64Å; R98-V100 VanDerWaalsContact C-N 3.27Å; R98-V100 PolarHBondContact O-N 2.75Å; R98-V100 VanDerWaalsContact O-N 3.16Å; R98-F101 CarbonylContact O-C 3.57Å; R98-F101 WeakPolarHBondContact O-CA 3.44Å; R98-F101 WeakPolarHBondContact O-CB 3.47Å; R98-F101 PolarHBondContact O-N 3.44Å; R98-D102 PolarHBondContact O-N 3.29Å; R98-D102 VanDerWaalsContact O-OD2 3.1Å; R98-E164 PolarHBondContact NE-O 3.08Å; R98-E164 PolarHBondContact NH2-O 3.04Å; R98-V166 HydrophobicContact CB-CG2 4.39Å; R98-V166 HydrophobicContact CG-CG2 3.45Å; R98-V166 VanDerWaalsContact CG-CG2 3.45Å
99	S	88.4	Confident	84.9	Confident	69 Å²	69	63 Å²	63	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-31.3	178	177.5	0	0	0	0	114.6	K95 I96 E103	K95-S99 WeakPolarHBondContact O-CB 3.48Å; K95-S99 PolarHBondContact O-N 2.92Å; I96-S99 PolarHBondContact O-N 3.03Å; S99-E103 WeakPolarHBondContact O-CB 3.33Å; S99-E103 PolarHBondContact O-N 2.88Å
100	V	88.7	Confident	85.6	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-75.9	-34.9	174	172.8	0	0	0	0	111.4	I96 A97 R98 M104 L246 R249 L250	I96-V100 HydrophobicContact CG2-CG2 4.43Å; I96-V100 WeakPolarHBondContact O-CG2 3.45Å; I96-V100 PolarHBondContact O-N 3.41Å; A97-V100 PolarHBondContact O-N 2.61Å; R98-V100 VanDerWaalsContact C-N 3.27Å; R98-V100 PolarHBondContact O-N 2.75Å; R98-V100 VanDerWaalsContact O-N 3.16Å; V100-M104 WeakPolarHBondContact O-CB 3.47Å; V100-M104 PolarHBondContact O-N 3.46Å; V100-M104 VanDerWaalsContact O-N 3.08Å; V100-L246 HydrophobicContact CG1-CD2 4.36Å; V100-L246 VanDerWaalsContact CG1-O 3.29Å; V100-L246 WeakPolarHBondContact CG1-O 3.2Å; V100-R249 HydrophobicContact CG1-CB 4.09Å; V100-R249 HydrophobicContact CG2-CB 4.22Å; V100-L250 HydrophobicContact CG1-CB 4.04Å
101	F	86.7	Confident	86.5	Confident	30 Å²	30	60.5 Å²	60.5	13%	0.132	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-45	174.3	-170.9	-91.5	0	0	0	111.9	A97 R98 E103 M104 L105 F158 V166 E167	A97-F101 PolarHBondContact O-N 3.05Å; R98-F101 CarbonylContact O-C 3.57Å; R98-F101 WeakPolarHBondContact O-CA 3.44Å; R98-F101 WeakPolarHBondContact O-CB 3.47Å; R98-F101 PolarHBondContact O-N 3.44Å; F101-E103 VanDerWaalsContact C-N 3.31Å; F101-E103 PolarHBondContact O-N 2.88Å; F101-M104 HydrophobicContact CD2-CE 4.13Å; F101-M104 HydrophobicContact CE2-CE 4.37Å; F101-M104 WeakPolarHBondContact O-CA 3.4Å; F101-M104 WeakPolarHBondContact O-CB 3.29Å; F101-M104 PolarHBondContact O-N 3.12Å; F101-L105 PolarHBondContact O-N 3.29Å; F101-F158 HydrophobicContact CE1-CD1 4.25Å; F101-F158 HydrophobicContact CE2-CD1 4.28Å; F101-F158 HydrophobicContact CE2-CE1 4.18Å; F101-F158 AromaticContact CZ-CD1 3.79Å; F101-F158 HydrophobicContact CZ-CD1 3.79Å; F101-F158 HydrophobicContact CZ-CE1 4.15Å; F101-V166 HydrophobicContact CB-CG1 3.93Å; F101-V166 HydrophobicContact CD2-CG1 4.01Å; F101-V166 HydrophobicContact CG-CG1 4.16Å; F101-E167 WeakPolarHBondContact CE2-O 3.31Å
102	D	87.3	Confident	87.4	Confident	93 Å²	93	59.1 Å²	59.1	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-42.7	174.6	-58.1	-35.5	0	0	0	111.2	R98 M104 L105 Q106	R98-D102 PolarHBondContact O-N 3.29Å; R98-D102 VanDerWaalsContact O-OD2 3.1Å; D102-M104 VanDerWaalsContact C-N 3.3Å; D102-M104 PolarHBondContact O-N 3.49Å; D102-L105 PolarHBondContact O-N 2.93Å; D102-Q106 VanDerWaalsContact O-CB 3.31Å; D102-Q106 WeakPolarHBondContact O-CB 3.3Å; D102-Q106 PolarHBondContact O-N 2.85Å
103	E	91.4	Very high	87.9	Confident	56 Å²	56	52.2 Å²	52.2	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-38.3	174.4	-169	-173.6	151.9	0	0	111.7	S99 F101 Y107 R242 L246 R249	S99-E103 WeakPolarHBondContact O-CB 3.33Å; S99-E103 PolarHBondContact O-N 2.88Å; F101-E103 VanDerWaalsContact C-N 3.31Å; F101-E103 PolarHBondContact O-N 2.88Å; E103-Y107 WeakPolarHBondContact O-CB 3.5Å; E103-Y107 PolarHBondContact O-N 3.28Å; E103-R242 IonicContact OE1-CZ 3.82Å; E103-R242 IonicContact OE1-NE 2.69Å; E103-R242 IonicContact OE1-NH2 3.23Å; E103-R242 PolarHBondContact OE1-NH2 2.84Å; E103-L246 HydrophobicContact CB-CD2 4.27Å; E103-L246 HydrophobicContact CG-CD2 4.01Å; E103-L246 WeakPolarHBondContact OE1-CD2 3.49Å; E103-R249 VanDerWaalsContact CD-NH1 3.3Å; E103-R249 IonicContact OE1-CZ 2.87Å; E103-R249 IonicContact OE1-NH1 2.7Å; E103-R249 PolarHBondContact OE1-NH1 3.26Å; E103-R249 IonicContact OE2-CZ 3.44Å; E103-R249 VanDerWaalsContact OE2-CZ 3.23Å; E103-R249 IonicContact OE2-NH1 3.99Å; E103-R249 PolarHBondContact OE2-NH1 3.04Å; E103-R249 IonicContact OE2-NH2 3.47Å; E103-R249 PolarHBondContact OE2-NH2 3.28Å
104	M	90.2	Very high	88.6	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-71.2	-40.5	178.3	-168.4	167.5	66.1	0	0	112.8	V100 F101 D102 Y107 G108 F158 L168 Y243 L246 I247	V100-M104 WeakPolarHBondContact O-CB 3.47Å; V100-M104 PolarHBondContact O-N 3.46Å; V100-M104 VanDerWaalsContact O-N 3.08Å; F101-M104 HydrophobicContact CD2-CE 4.13Å; F101-M104 HydrophobicContact CE2-CE 4.37Å; F101-M104 WeakPolarHBondContact O-CA 3.4Å; F101-M104 WeakPolarHBondContact O-CB 3.29Å; F101-M104 PolarHBondContact O-N 3.12Å; D102-M104 VanDerWaalsContact C-N 3.3Å; D102-M104 PolarHBondContact O-N 3.49Å; M104-Y107 PolarHBondContact O-N 3.04Å; M104-G108 PolarHBondContact O-N 2.74Å; M104-F158 HydrophobicContact CE-CE1 3.72Å; M104-F158 HydrophobicContact CE-CZ 3.9Å; M104-F158 HydrophobicContact CG-CE1 4.22Å; M104-F158 HydrophobicContact CG-CZ 3.88Å; M104-F158 HydrophobicContact SD-CZ 4.41Å; M104-L168 HydrophobicContact CE-CD2 3.67Å; M104-Y243 HydrophobicContact CG-CD1 3.87Å; M104-Y243 HydrophobicContact CG-CE1 3.86Å; M104-Y243 HydrophobicContact SD-CD1 4.08Å; M104-L246 HydrophobicContact CB-CB 4.48Å; M104-L246 HydrophobicContact CB-CD1 3.97Å; M104-L246 HydrophobicContact CG-CB 4.44Å; M104-L246 HydrophobicContact CG-CD1 4.01Å; M104-L246 HydrophobicContact SD-CB 4.2Å; M104-I247 HydrophobicContact SD-CG1 3.96Å
105	L	86.9	Confident	89.4	Confident	36 Å²	36	44.7 Å²	44.7	19%	0.188	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-48.3	173.2	174.9	49.7	0	0	0	111.4	F101 D102 Y107 G108 K109 F158	F101-L105 PolarHBondContact O-N 3.29Å; D102-L105 PolarHBondContact O-N 2.93Å; L105-Y107 VanDerWaalsContact C-N 3.27Å; L105-Y107 PolarHBondContact O-N 3.15Å; L105-G108 PolarHBondContact O-N 3.08Å; L105-K109 HydrophobicContact CD1-CD 3.91Å; L105-K109 HydrophobicContact CD1-CG 4.21Å; L105-K109 HydrophobicContact CG-CD 4.43Å; L105-K109 PolarHBondContact O-N 3.18Å; L105-F158 HydrophobicContact CB-CD1 4.21Å; L105-F158 HydrophobicContact CD1-CB 3.56Å; L105-F158 HydrophobicContact CD1-CD1 4.22Å; L105-F158 HydrophobicContact CD1-CD2 4.47Å; L105-F158 HydrophobicContact CD1-CG 3.89Å
106	Q	88.7	Confident	89.9	Confident	81 Å²	81	41.8 Å²	41.8	38%	0.379	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-31.3	178.5	-175.7	57.9	92	0	0	112.2	D102 R110	D102-Q106 VanDerWaalsContact O-CB 3.31Å; D102-Q106 WeakPolarHBondContact O-CB 3.3Å; D102-Q106 PolarHBondContact O-N 2.85Å; Q106-R110 WeakPolarHBondContact O-CG 3.17Å; Q106-R110 PolarHBondContact O-N 2.72Å
107	Y	91.5	Very high	90.4	Very high	47 Å²	47	38 Å²	38	18%	0.184	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-48.4	170.5	179.8	-108	0	0	0	111.7	E103 M104 L105 K109 R110 L111 A239 R242 Y243	E103-Y107 WeakPolarHBondContact O-CB 3.5Å; E103-Y107 PolarHBondContact O-N 3.28Å; M104-Y107 PolarHBondContact O-N 3.04Å; L105-Y107 VanDerWaalsContact C-N 3.27Å; L105-Y107 PolarHBondContact O-N 3.15Å; Y107-K109 PolarHBondContact O-N 3.46Å; Y107-R110 PolarHBondContact O-N 2.79Å; Y107-L111 HydrophobicContact CE1-CD2 3.93Å; Y107-L111 WeakPolarHBondContact O-CB 3.38Å; Y107-L111 PolarHBondContact O-N 3.34Å; Y107-A239 VanDerWaalsContact OH-CA 3.28Å; Y107-A239 WeakPolarHBondContact OH-CA 3.46Å; Y107-R242 HydrophobicContact CD1-CG 4.12Å; Y107-R242 HydrophobicContact CD2-CG 4.27Å; Y107-R242 HydrophobicContact CE1-CB 3.98Å; Y107-R242 HydrophobicContact CE1-CG 3.97Å; Y107-R242 HydrophobicContact CE2-CG 4.15Å; Y107-R242 HydrophobicContact CG-CG 4.28Å; Y107-Y243 HydrophobicContact CD1-CE1 4.04Å; Y107-Y243 HydrophobicContact CD1-CE2 4.29Å; Y107-Y243 AromaticContact CD1-CZ 3.91Å; Y107-Y243 HydrophobicContact CE1-CD2 4.32Å; Y107-Y243 HydrophobicContact CE1-CE1 4.46Å; Y107-Y243 AromaticContact CE1-CE2 3.93Å; Y107-Y243 HydrophobicContact CE1-CE2 3.93Å
108	G	90.7	Very high	90.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-56.1	-48.6	177.5	0	0	0	0	0	112.8	M104 L105 R110 L111 L112 Y243	M104-G108 PolarHBondContact O-N 2.74Å; L105-G108 PolarHBondContact O-N 3.08Å; G108-R110 VanDerWaalsContact C-N 3.33Å; G108-R110 PolarHBondContact O-N 3.29Å; G108-L111 PolarHBondContact O-N 3.12Å; G108-L111 VanDerWaalsContact O-N 3.13Å; G108-L112 PolarHBondContact O-N 3.29Å; G108-Y243 WeakPolarHBondContact CA-OH 3.46Å
109	K	89.8	Confident	91.5	Very high	63 Å²	63	36.2 Å²	36.2	27%	0.274	17%	0.172	S	C	.	.	H	α-helix	trans	-61.7	-35.9	177.8	-74.6	178	168.4	178.9	0	113.6	L105 Y107 E113 T155 D159	L105-K109 HydrophobicContact CD1-CD 3.91Å; L105-K109 HydrophobicContact CD1-CG 4.21Å; L105-K109 HydrophobicContact CG-CD 4.43Å; L105-K109 PolarHBondContact O-N 3.18Å; Y107-K109 PolarHBondContact O-N 3.46Å; K109-E113 PolarHBondContact O-N 3.44Å; K109-T155 HydrophobicContact CD-CG2 4.48Å; K109-T155 HydrophobicContact CG-CG2 3.7Å; K109-D159 VanDerWaalsContact CE-OD1 3.3Å; K109-D159 WeakPolarHBondContact CE-OD1 3.44Å; K109-D159 WeakPolarHBondContact CE-OD2 3.4Å; K109-D159 IonicContact NZ-OD1 3.73Å; K109-D159 PolarHBondContact NZ-OD1 3.26Å; K109-D159 IonicContact NZ-OD2 2.68Å; K109-D159 PolarHBondContact NZ-OD2 3.08Å
110	R	90.2	Very high	91.8	Very high	99 Å²	99	35.1 Å²	35.1	37%	0.374	16%	0.161	S	C	.	.	H	α-helix	trans	-71.8	-37.5	173.8	-79.1	172.2	164.7	155.6	-5.2	112.4	Q106 Y107 G108 I114 E223 Q224	Q106-R110 WeakPolarHBondContact O-CG 3.17Å; Q106-R110 PolarHBondContact O-N 2.72Å; Y107-R110 PolarHBondContact O-N 2.79Å; G108-R110 VanDerWaalsContact C-N 3.33Å; G108-R110 PolarHBondContact O-N 3.29Å; R110-I114 WeakPolarHBondContact O-CG1 3.29Å; R110-I114 PolarHBondContact O-N 2.75Å; R110-E223 IonicContact CZ-OE1 3.88Å; R110-E223 IonicContact NE-OE1 3.68Å; R110-E223 PolarHBondContact NE-OE1 3.16Å; R110-E223 IonicContact NH2-OE1 2.71Å; R110-E223 PolarHBondContact NH2-OE1 3.3Å; R110-Q224 PolarHBondContact O-NE2 3.38Å; R110-Q224 VanDerWaalsContact O-NE2 3.13Å
111	L	92.9	Very high	92	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-70.7	-38.3	178.6	179.8	60.9	0	0	0	112.1	Y107 G108 E113 I114 I115 H151 V236 A239 Y243	Y107-L111 HydrophobicContact CE1-CD2 3.93Å; Y107-L111 WeakPolarHBondContact O-CB 3.38Å; Y107-L111 PolarHBondContact O-N 3.34Å; G108-L111 PolarHBondContact O-N 3.12Å; G108-L111 VanDerWaalsContact O-N 3.13Å; L111-E113 PolarHBondContact O-N 3.25Å; L111-I114 PolarHBondContact O-N 3.2Å; L111-I115 HydrophobicContact CD1-CD1 3.93Å; L111-I115 HydrophobicContact CD1-CG1 4.25Å; L111-I115 HydrophobicContact CG-CD1 3.9Å; L111-I115 WeakPolarHBondContact O-CG1 3.25Å; L111-I115 PolarHBondContact O-N 3.2Å; L111-H151 WeakPolarHBondContact CD2-CE1 3.27Å; L111-V236 HydrophobicContact CD1-CG2 4.12Å; L111-A239 HydrophobicContact CD1-CB 4.29Å; L111-A239 HydrophobicContact CD2-CB 3.54Å; L111-Y243 HydrophobicContact CD2-CE2 3.96Å
112	L	93.6	Very high	92.4	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.188	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-45.4	172.6	177.5	56.3	0	0	0	111.2	G108 I114 I115 R116 F148 H151 E152 T155	G108-L112 PolarHBondContact O-N 3.29Å; L112-I114 PolarHBondContact O-N 2.92Å; L112-I115 PolarHBondContact O-N 3.43Å; L112-R116 WeakPolarHBondContact O-CB 3.35Å; L112-R116 PolarHBondContact O-N 3.44Å; L112-F148 HydrophobicContact CD1-CD2 3.98Å; L112-F148 HydrophobicContact CD1-CE2 3.65Å; L112-F148 HydrophobicContact CD1-CZ 4.37Å; L112-H151 HydrophobicContact CB-CB 4.37Å; L112-H151 HydrophobicContact CD1-CB 3.9Å; L112-E152 HydrophobicContact CD1-CB 4.49Å; L112-T155 HydrophobicContact CD2-CG2 4.21Å
113	E	92.8	Very high	92.8	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173.8	179.8	72.8	177.5	0	0	112.1	K109 L111 I115 R116 I117 S219 Q220 Y221 Q224	K109-E113 PolarHBondContact O-N 3.44Å; L111-E113 PolarHBondContact O-N 3.25Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.37Å; E113-R116 WeakPolarHBondContact O-CB 3.43Å; E113-R116 PolarHBondContact O-N 3.29Å; E113-R116 IonicContact OE1-CZ 3.7Å; E113-R116 IonicContact OE1-NE 3.23Å; E113-R116 IonicContact OE1-NH2 2.74Å; E113-R116 PolarHBondContact OE1-NH2 3.45Å; E113-R116 IonicContact OE2-CZ 2.78Å; E113-R116 IonicContact OE2-NE 2.74Å; E113-R116 PolarHBondContact OE2-NE 2.73Å; E113-R116 IonicContact OE2-NH2 3.76Å; E113-R116 PolarHBondContact OE2-NH2 2.96Å; E113-I117 HydrophobicContact CG-CD1 3.94Å; E113-I117 HydrophobicContact CG-CG1 4.5Å; E113-I117 VanDerWaalsContact O-CG1 3.31Å; E113-I117 WeakPolarHBondContact O-CG1 3.43Å; E113-I117 PolarHBondContact O-N 3.23Å; E113-S219 WeakPolarHBondContact OE1-CA 3.38Å; E113-S219 PolarHBondContact OE1-OG 2.9Å; E113-Q220 PolarHBondContact OE1-N 2.82Å; E113-Q220 PolarHBondContact OE2-NE2 3.26Å; E113-Y221 HydrophobicContact CB-CD2 4Å; E113-Y221 HydrophobicContact CB-CE2 4.07Å; E113-Y221 HydrophobicContact CG-CD2 3.9Å; E113-Y221 HydrophobicContact CG-CE2 4.4Å; E113-Q224 HydrophobicContact CG-CG 4.21Å
114	I	94.1	Very high	92.9	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-45	178.1	-72.2	168.3	0	0	0	110.6	R110 L111 L112 I117 L118 Q224 M232 V236	R110-I114 WeakPolarHBondContact O-CG1 3.29Å; R110-I114 PolarHBondContact O-N 2.75Å; L111-I114 PolarHBondContact O-N 3.2Å; L112-I114 PolarHBondContact O-N 2.92Å; I114-I117 PolarHBondContact O-N 3.48Å; I114-L118 HydrophobicContact CG2-CD1 4.28Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 2.9Å; I114-Q224 HydrophobicContact CG1-CG 3.89Å; I114-M232 HydrophobicContact CG2-CB 3.78Å; I114-M232 HydrophobicContact CG2-CG 4.08Å; I114-V236 HydrophobicContact CG2-CG2 3.97Å
115	I	95	Very high	92.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72.4	-32.2	-179.9	-63.3	168.9	0	0	0	111.2	L111 L112 E113 L118 K119 I144 L147 F148 H151 V236	L111-I115 HydrophobicContact CD1-CD1 3.93Å; L111-I115 HydrophobicContact CD1-CG1 4.25Å; L111-I115 HydrophobicContact CG-CD1 3.9Å; L111-I115 WeakPolarHBondContact O-CG1 3.25Å; L111-I115 PolarHBondContact O-N 3.2Å; L112-I115 PolarHBondContact O-N 3.43Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.37Å; I115-L118 PolarHBondContact O-N 3.27Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 PolarHBondContact O-N 2.93Å; I115-I144 HydrophobicContact CG2-CG2 4.34Å; I115-L147 HydrophobicContact CG2-CB 4.25Å; I115-F148 HydrophobicContact CG2-CB 3.86Å; I115-F148 HydrophobicContact CG2-CD2 4.29Å; I115-H151 HydrophobicContact CD1-CB 4.34Å; I115-H151 WeakPolarHBondContact CD1-CD2 3.19Å; I115-V236 HydrophobicContact CD1-CG1 4.24Å; I115-V236 HydrophobicContact CD1-CG2 4.19Å; I115-V236 HydrophobicContact CG1-CG1 4.37Å; I115-V236 HydrophobicContact CG1-CG2 3.6Å
116	R	95.1	Very high	93.1	Very high	68 Å²	68	35.1 Å²	35.1	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-58.8	-49	170.3	-163.5	-169.5	65.9	63.7	7.6	111	L112 E113 L118 K119 D120 F148	L112-R116 WeakPolarHBondContact O-CB 3.35Å; L112-R116 PolarHBondContact O-N 3.44Å; E113-R116 WeakPolarHBondContact O-CB 3.43Å; E113-R116 PolarHBondContact O-N 3.29Å; E113-R116 IonicContact OE1-CZ 3.7Å; E113-R116 IonicContact OE1-NE 3.23Å; E113-R116 IonicContact OE1-NH2 2.74Å; E113-R116 PolarHBondContact OE1-NH2 3.45Å; E113-R116 IonicContact OE2-CZ 2.78Å; E113-R116 IonicContact OE2-NE 2.74Å; E113-R116 PolarHBondContact OE2-NE 2.73Å; E113-R116 IonicContact OE2-NH2 3.76Å; E113-R116 PolarHBondContact OE2-NH2 2.96Å; R116-L118 PolarHBondContact O-N 2.98Å; R116-K119 WeakPolarHBondContact O-CB 3.23Å; R116-K119 PolarHBondContact O-N 3.35Å; R116-D120 IonicContact CZ-OD2 3.9Å; R116-D120 IonicContact NH1-OD2 3.33Å; R116-D120 PolarHBondContact NH1-OD2 3.28Å; R116-D120 VanDerWaalsContact O-CG 3.26Å; R116-D120 PolarHBondContact O-N 3.35Å; R116-F148 HydrophobicContact CB-CD2 4.21Å; R116-F148 HydrophobicContact CB-CE2 3.71Å; R116-F148 HydrophobicContact CG-CE2 3.76Å; R116-F148 HydrophobicContact CG-CZ 4.37Å
117	I	94.9	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-43.8	176.7	-65.7	163.5	0	0	0	110.9	E113 I114 K119 D120 V121 I215 V216 Q224 M232	E113-I117 HydrophobicContact CG-CD1 3.94Å; E113-I117 HydrophobicContact CG-CG1 4.5Å; E113-I117 VanDerWaalsContact O-CG1 3.31Å; E113-I117 WeakPolarHBondContact O-CG1 3.43Å; E113-I117 PolarHBondContact O-N 3.23Å; I114-I117 PolarHBondContact O-N 3.48Å; I117-K119 VanDerWaalsContact C-N 3.31Å; I117-K119 PolarHBondContact O-N 2.86Å; I117-D120 PolarHBondContact O-N 3.42Å; I117-V121 HydrophobicContact CG2-CG2 4.47Å; I117-V121 WeakPolarHBondContact O-CB 3.21Å; I117-V121 VanDerWaalsContact O-CG2 3.28Å; I117-V121 WeakPolarHBondContact O-CG2 3.34Å; I117-V121 PolarHBondContact O-N 3.2Å; I117-I215 HydrophobicContact CG2-CG2 4.27Å; I117-V216 HydrophobicContact CG2-CG2 3.86Å; I117-Q224 HydrophobicContact CD1-CB 4.24Å; I117-Q224 HydrophobicContact CD1-CG 4.36Å; I117-M232 HydrophobicContact CB-SD 4.2Å; I117-M232 HydrophobicContact CD1-CE 3.9Å; I117-M232 HydrophobicContact CD1-SD 4.35Å; I117-M232 HydrophobicContact CG2-CE 4.24Å; I117-M232 HydrophobicContact CG2-SD 3.67Å
118	L	95.8	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-33.7	176.7	-68.6	174.3	0	0	0	112.7	I114 I115 R116 N122 F141 I144 V229 M232 F233 V236	I114-L118 HydrophobicContact CG2-CD1 4.28Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 2.9Å; I115-L118 PolarHBondContact O-N 3.27Å; R116-L118 PolarHBondContact O-N 2.98Å; L118-N122 PolarHBondContact O-N 3.11Å; L118-F141 HydrophobicContact CB-CE1 4.46Å; L118-F141 HydrophobicContact CD2-CE1 4.22Å; L118-F141 WeakPolarHBondContact O-CD1 3.37Å; L118-F141 VanDerWaalsContact O-CE1 3.31Å; L118-F141 WeakPolarHBondContact O-CE1 3.4Å; L118-I144 HydrophobicContact CB-CD1 4.27Å; L118-I144 HydrophobicContact CB-CG1 4.5Å; L118-I144 HydrophobicContact CB-CG2 3.84Å; L118-I144 HydrophobicContact CD1-CD1 3.98Å; L118-V229 HydrophobicContact CD2-CG1 3.78Å; L118-M232 HydrophobicContact CD1-CB 4.32Å; L118-M232 HydrophobicContact CD2-CB 4.03Å; L118-M232 HydrophobicContact CG-CB 4.25Å; L118-F233 HydrophobicContact CD1-CD1 4.12Å; L118-F233 HydrophobicContact CD1-CE1 4.35Å; L118-F233 HydrophobicContact CD1-CG 4.33Å; L118-F233 HydrophobicContact CD2-CD2 3.89Å; L118-F233 HydrophobicContact CD2-CE1 4.49Å; L118-F233 HydrophobicContact CD2-CE2 3.81Å; L118-F233 HydrophobicContact CD2-CG 4.28Å; L118-F233 HydrophobicContact CD2-CZ 4.13Å; L118-V236 HydrophobicContact CD1-CG2 3.76Å
119	K	95.7	Very high	93.2	Very high	52 Å²	52	40.7 Å²	40.7	23%	0.226	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-47.2	173.2	-176.2	-156.3	141.7	-60.4	0	110.9	I115 R116 I117 V121 N122 D123 I144 F148	I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 PolarHBondContact O-N 2.93Å; R116-K119 WeakPolarHBondContact O-CB 3.23Å; R116-K119 PolarHBondContact O-N 3.35Å; I117-K119 VanDerWaalsContact C-N 3.31Å; I117-K119 PolarHBondContact O-N 2.86Å; K119-V121 VanDerWaalsContact C-N 3.28Å; K119-V121 PolarHBondContact O-N 3.32Å; K119-N122 WeakPolarHBondContact O-CB 3.38Å; K119-N122 PolarHBondContact O-N 3.45Å; K119-N122 VanDerWaalsContact O-N 3.13Å; K119-D123 WeakPolarHBondContact CE-OD2 3.49Å; K119-D123 IonicContact NZ-OD2 2.75Å; K119-D123 PolarHBondContact NZ-OD2 3.15Å; K119-D123 PolarHBondContact O-N 3.12Å; K119-I144 HydrophobicContact CB-CG2 4.1Å; K119-F148 HydrophobicContact CD-CB 4.29Å; K119-F148 HydrophobicContact CD-CD1 3.91Å; K119-F148 HydrophobicContact CD-CD2 4.38Å; K119-F148 HydrophobicContact CD-CE1 4.42Å; K119-F148 HydrophobicContact CD-CG 3.89Å
120	D	95.2	Very high	93.1	Very high	47 Å²	47	41.2 Å²	41.2	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-39.6	177.1	-65.6	-9.5	0	0	0	111.3	R116 I117 D123 E124 I215	R116-D120 IonicContact CZ-OD2 3.9Å; R116-D120 IonicContact NH1-OD2 3.33Å; R116-D120 PolarHBondContact NH1-OD2 3.28Å; R116-D120 VanDerWaalsContact O-CG 3.26Å; R116-D120 PolarHBondContact O-N 3.35Å; I117-D120 PolarHBondContact O-N 3.42Å; D120-D123 PolarHBondContact O-N 3.39Å; D120-E124 PolarHBondContact O-N 3.03Å; D120-E124 VanDerWaalsContact O-N 3.1Å; D120-I215 HydrophobicContact CB-CG2 3.69Å
121	V	94.2	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-42.9	172.9	171	0	0	0	0	111.6	I117 K119 V125 F141 I215 V229	I117-V121 HydrophobicContact CG2-CG2 4.47Å; I117-V121 WeakPolarHBondContact O-CB 3.21Å; I117-V121 VanDerWaalsContact O-CG2 3.28Å; I117-V121 WeakPolarHBondContact O-CG2 3.34Å; I117-V121 PolarHBondContact O-N 3.2Å; K119-V121 VanDerWaalsContact C-N 3.28Å; K119-V121 PolarHBondContact O-N 3.32Å; V121-V125 HydrophobicContact CG1-CG2 4.16Å; V121-V125 WeakPolarHBondContact O-CB 3.09Å; V121-V125 WeakPolarHBondContact O-CG2 3.27Å; V121-V125 PolarHBondContact O-N 2.98Å; V121-F141 HydrophobicContact CB-CE1 4.2Å; V121-F141 HydrophobicContact CB-CZ 4.4Å; V121-F141 HydrophobicContact CG1-CE1 3.87Å; V121-F141 HydrophobicContact CG1-CE2 4.49Å; V121-F141 HydrophobicContact CG1-CZ 3.57Å; V121-I215 HydrophobicContact CB-CD1 4.4Å; V121-I215 HydrophobicContact CG2-CB 4.11Å; V121-I215 HydrophobicContact CG2-CD1 3.86Å; V121-I215 HydrophobicContact CG2-CG2 4.07Å; V121-V229 HydrophobicContact CG2-CG2 4.27Å
122	N	94.6	Very high	92.8	Very high	16 Å²	16	43.5 Å²	43.5	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-52	173.1	170.1	79.6	0	0	0	111.2	L118 K119 E124 V125 Q126 F141	L118-N122 PolarHBondContact O-N 3.11Å; K119-N122 WeakPolarHBondContact O-CB 3.38Å; K119-N122 PolarHBondContact O-N 3.45Å; K119-N122 VanDerWaalsContact O-N 3.13Å; N122-E124 VanDerWaalsContact C-N 3.3Å; N122-E124 PolarHBondContact O-N 3Å; N122-V125 PolarHBondContact O-N 2.84Å; N122-V125 VanDerWaalsContact O-N 3.16Å; N122-Q126 WeakPolarHBondContact O-CG 3.21Å; N122-Q126 PolarHBondContact O-N 3.37Å; N122-F141 HydrophobicContact CB-CB 3.98Å; N122-F141 HydrophobicContact CB-CD1 3.74Å; N122-F141 HydrophobicContact CB-CG 4.02Å; N122-F141 WeakPolarHBondContact OD1-CB 3.32Å
123	D	94.4	Very high	92.3	Very high	64 Å²	64	47.1 Å²	47.1	34%	0.342	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-36.9	-170.6	-62.1	-11.8	0	0	0	111.2	K119 D120 N127	K119-D123 WeakPolarHBondContact CE-OD2 3.49Å; K119-D123 IonicContact NZ-OD2 2.75Å; K119-D123 PolarHBondContact NZ-OD2 3.15Å; K119-D123 PolarHBondContact O-N 3.12Å; D120-D123 PolarHBondContact O-N 3.39Å; D123-N127 PolarHBondContact O-ND2 3.2Å
124	E	93.7	Very high	92.1	Very high	89 Å²	89	49.3 Å²	49.3	42%	0.416	26%	0.26	S	S	.	.	H	α-helix	trans	-70.6	-42.6	172.5	-171.5	64.7	179.2	0	0	112.5	D120 N122 Q126 N127 I211 I215	D120-E124 PolarHBondContact O-N 3.03Å; D120-E124 VanDerWaalsContact O-N 3.1Å; N122-E124 VanDerWaalsContact C-N 3.3Å; N122-E124 PolarHBondContact O-N 3Å; E124-Q126 VanDerWaalsContact C-N 3.25Å; E124-Q126 PolarHBondContact O-N 2.99Å; E124-N127 WeakPolarHBondContact O-CB 3.41Å; E124-N127 PolarHBondContact O-N 3.41Å; E124-N127 PolarHBondContact OE2-ND2 3.16Å; E124-I211 HydrophobicContact CB-CG2 4.15Å; E124-I211 HydrophobicContact CG-CG2 3.77Å; E124-I215 HydrophobicContact CB-CD1 3.91Å; E124-I215 HydrophobicContact CG-CD1 4.33Å
125	V	92	Very high	92	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-26.9	179.2	168.2	0	0	0	0	112.5	V121 N122 N127 V128 L131 I137 L208 I211	V121-V125 HydrophobicContact CG1-CG2 4.16Å; V121-V125 WeakPolarHBondContact O-CB 3.09Å; V121-V125 WeakPolarHBondContact O-CG2 3.27Å; V121-V125 PolarHBondContact O-N 2.98Å; N122-V125 PolarHBondContact O-N 2.84Å; N122-V125 VanDerWaalsContact O-N 3.16Å; V125-N127 VanDerWaalsContact C-N 3.29Å; V125-N127 PolarHBondContact O-N 2.98Å; V125-V128 PolarHBondContact O-N 3.5Å; V125-L131 HydrophobicContact CG1-CB 3.75Å; V125-L131 HydrophobicContact CG1-CD1 4.2Å; V125-L131 HydrophobicContact CG2-CD1 4.21Å; V125-I137 HydrophobicContact CG1-CD1 4.23Å; V125-I137 HydrophobicContact CG1-CG2 3.56Å; V125-L208 HydrophobicContact CG2-CD1 3.93Å; V125-I211 HydrophobicContact CG2-CG2 4.11Å
126	Q	90.9	Very high	91.8	Very high	53 Å²	53	54.5 Å²	54.5	25%	0.248	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.8	171.5	-67.5	-63.1	-32	0	0	113.4	N122 E124 R132 N138	N122-Q126 WeakPolarHBondContact O-CG 3.21Å; N122-Q126 PolarHBondContact O-N 3.37Å; E124-Q126 VanDerWaalsContact C-N 3.25Å; E124-Q126 PolarHBondContact O-N 2.99Å; Q126-R132 WeakPolarHBondContact O-CD 3.32Å; Q126-R132 WeakPolarHBondContact O-CG 3.33Å; Q126-N138 PolarHBondContact NE2-OD1 2.76Å
127	N	92.2	Very high	91.7	Very high	117 Å²	117	51.2 Å²	51.2	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.6	174.7	-62.3	-36.1	0	0	0	112.4	D123 E124 V125 P129	D123-N127 PolarHBondContact O-ND2 3.2Å; E124-N127 WeakPolarHBondContact O-CB 3.41Å; E124-N127 PolarHBondContact O-N 3.41Å; E124-N127 PolarHBondContact OE2-ND2 3.16Å; V125-N127 VanDerWaalsContact C-N 3.29Å; V125-N127 PolarHBondContact O-N 2.98Å; N127-P129 WeakPolarHBondContact O-CD 3.44Å
128	V	91.5	Very high	91.6	Very high	19 Å²	19	53.8 Å²	53.8	12%	0.115	30%	0.298	C	S	.	.			trans	-92.2	111.6	-171.1	175.1	0	0	0	0	111.3	V125 S130 L131 R132 E207 I211	V125-V128 PolarHBondContact O-N 3.5Å; V128-S130 VanDerWaalsContact C-N 3.34Å; V128-S130 VanDerWaalsContact CG1-OG 3.23Å; V128-S130 WeakPolarHBondContact CG1-OG 3.36Å; V128-S130 PolarHBondContact O-N 2.89Å; V128-L131 HydrophobicContact CB-CB 4.46Å; V128-L131 HydrophobicContact CB-CD1 4.33Å; V128-L131 HydrophobicContact CB-CG 4.45Å; V128-L131 HydrophobicContact CG1-CB 4.26Å; V128-L131 HydrophobicContact CG1-CD1 3.92Å; V128-L131 HydrophobicContact CG1-CG 3.83Å; V128-L131 PolarHBondContact O-N 2.9Å; V128-L131 VanDerWaalsContact O-N 3.09Å; V128-R132 WeakPolarHBondContact O-CB 3.45Å; V128-R132 PolarHBondContact O-N 3.01Å; V128-E207 HydrophobicContact CG1-CG 4.46Å; V128-I211 HydrophobicContact CG2-CD1 3.92Å
129	P	88.6	Confident	91.4	Very high	110 Å²	110	54.4 Å²	54.4	71%	0.714	30%	0.304	S	S	*	.	H	α-helix	trans	-62.7	-31.6	-169.1	-26.1	36	0	0	0	115.8	N127 L131	N127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-L131 VanDerWaalsContact C-N 3.3Å; P129-L131 PolarHBondContact O-N 3.21Å
130	S	88.6	Confident	91.3	Very high	73 Å²	73	52 Å²	52	51%	0.51	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-31.7	176.2	47.2	0	0	0	0	112.8	V128 E207	V128-S130 VanDerWaalsContact C-N 3.34Å; V128-S130 VanDerWaalsContact CG1-OG 3.23Å; V128-S130 WeakPolarHBondContact CG1-OG 3.36Å; V128-S130 PolarHBondContact O-N 2.89Å; S130-E207 WeakPolarHBondContact CB-OE2 3.39Å; S130-E207 PolarHBondContact OG-OE1 3.41Å; S130-E207 PolarHBondContact OG-OE2 2.95Å
131	L	88.5	Confident	91.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-101	-36.3	-174.4	-55.5	-179.7	0	0	0	112.4	V125 V128 P129 C133 N134 I137 N205 E207 L208 I211	V125-L131 HydrophobicContact CG1-CB 3.75Å; V125-L131 HydrophobicContact CG1-CD1 4.2Å; V125-L131 HydrophobicContact CG2-CD1 4.21Å; V128-L131 HydrophobicContact CB-CB 4.46Å; V128-L131 HydrophobicContact CB-CD1 4.33Å; V128-L131 HydrophobicContact CB-CG 4.45Å; V128-L131 HydrophobicContact CG1-CB 4.26Å; V128-L131 HydrophobicContact CG1-CD1 3.92Å; V128-L131 HydrophobicContact CG1-CG 3.83Å; V128-L131 PolarHBondContact O-N 2.9Å; V128-L131 VanDerWaalsContact O-N 3.09Å; P129-L131 VanDerWaalsContact C-N 3.3Å; P129-L131 PolarHBondContact O-N 3.21Å; L131-C133 VanDerWaalsContact C-N 3.25Å; L131-C133 PolarHBondContact O-N 3.11Å; L131-C133 VanDerWaalsContact O-N 3.11Å; L131-N134 WeakPolarHBondContact O-CB 3.35Å; L131-N134 PolarHBondContact O-N 2.88Å; L131-I137 HydrophobicContact CB-CD1 3.89Å; L131-I137 HydrophobicContact CD2-CD1 4.06Å; L131-I137 HydrophobicContact CG-CD1 4.46Å; L131-N205 WeakPolarHBondContact CD2-ND2 3.44Å; L131-E207 HydrophobicContact CD1-CG 4.43Å; L131-L208 HydrophobicContact CD1-CB 4.18Å; L131-L208 HydrophobicContact CD1-CD1 4.25Å; L131-L208 HydrophobicContact CD2-CB 4.42Å; L131-I211 HydrophobicContact CD1-CD1 3.74Å
132	R	86.6	Confident	91.3	Very high	147 Å²	147	56 Å²	56	56%	0.555	31%	0.309	S	S	*	.	H	α-helix	trans	-50.3	-38.3	-175.6	-174.6	-173.6	-176	176.2	-0.7	114.4	Q126 V128 N138	Q126-R132 WeakPolarHBondContact O-CD 3.32Å; Q126-R132 WeakPolarHBondContact O-CG 3.33Å; V128-R132 WeakPolarHBondContact O-CB 3.45Å; V128-R132 PolarHBondContact O-N 3.01Å; R132-N138 PolarHBondContact O-ND2 2.96Å
133	C	84.1	Confident	91.3	Very high	112 Å²	112	55.9 Å²	55.9	76%	0.757	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.1	-177.8	-67.2	0	0	0	0	114.3	L131 S135	L131-C133 VanDerWaalsContact C-N 3.25Å; L131-C133 PolarHBondContact O-N 3.11Å; L131-C133 VanDerWaalsContact O-N 3.11Å; C133-S135 PolarHBondContact O-N 3.22Å
134	N	89.6	Confident	91.4	Very high	51 Å²	51	52.9 Å²	52.9	27%	0.273	29%	0.292	S	S	.	.			trans	-73.9	123.9	-176.5	-174.9	-61.9	0	0	0	111.6	L131 V136 I137 N138 M201	L131-N134 WeakPolarHBondContact O-CB 3.35Å; L131-N134 PolarHBondContact O-N 2.88Å; N134-V136 PolarHBondContact O-N 3.12Å; N134-V136 WeakPolarHBondContact OD1-CA 3.5Å; N134-V136 WeakPolarHBondContact OD1-CB 3.31Å; N134-V136 PolarHBondContact OD1-N 3.03Å; N134-I137 HydrophobicContact CB-CB 4.07Å; N134-I137 HydrophobicContact CB-CD1 3.93Å; N134-I137 HydrophobicContact CB-CG1 3.91Å; N134-I137 PolarHBondContact OD1-N 3.22Å; N134-N138 WeakPolarHBondContact O-CB 3.31Å; N134-N138 PolarHBondContact O-N 2.93Å; N134-N138 PolarHBondContact O-ND2 3.09Å; N134-M201 PolarHBondContact ND2-SD 3.28Å
135	S	90.9	Very high	91.4	Very high	96 Å²	96	51 Å²	51	67%	0.671	29%	0.288	S	S	*	.	H	α-helix	trans	-67.2	-31.7	-176.7	52.3	0	0	0	0	113.9	C133 G139	C133-S135 PolarHBondContact O-N 3.22Å; S135-G139 PolarHBondContact O-N 2.87Å
136	V	91.8	Very high	91.5	Very high	28 Å²	28	53.8 Å²	53.8	17%	0.17	31%	0.308	C	S	.	.	H	α-helix	trans	-75.6	-42.2	179.7	-179.2	0	0	0	0	110.6	N134 G139 M140 N194 A197 F198 M201	N134-V136 PolarHBondContact O-N 3.12Å; N134-V136 WeakPolarHBondContact OD1-CA 3.5Å; N134-V136 WeakPolarHBondContact OD1-CB 3.31Å; N134-V136 PolarHBondContact OD1-N 3.03Å; V136-G139 PolarHBondContact O-N 2.86Å; V136-M140 WeakPolarHBondContact O-CG 3.22Å; V136-M140 PolarHBondContact O-N 3.13Å; V136-N194 HydrophobicContact CG1-CB 4.28Å; V136-A197 HydrophobicContact CG1-CB 3.94Å; V136-A197 HydrophobicContact CG2-CB 4.23Å; V136-F198 HydrophobicContact CG1-CB 3.93Å; V136-M201 HydrophobicContact CB-CE 3.87Å; V136-M201 HydrophobicContact CG1-CE 3.77Å
137	I	92.3	Very high	91.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-54.8	172.6	-64.5	-174.2	0	0	0	109.9	V125 L131 N134 G139 M140 F141 M201 L208	V125-I137 HydrophobicContact CG1-CD1 4.23Å; V125-I137 HydrophobicContact CG1-CG2 3.56Å; L131-I137 HydrophobicContact CB-CD1 3.89Å; L131-I137 HydrophobicContact CD2-CD1 4.06Å; L131-I137 HydrophobicContact CG-CD1 4.46Å; N134-I137 HydrophobicContact CB-CB 4.07Å; N134-I137 HydrophobicContact CB-CD1 3.93Å; N134-I137 HydrophobicContact CB-CG1 3.91Å; N134-I137 PolarHBondContact OD1-N 3.22Å; I137-G139 PolarHBondContact O-N 3.24Å; I137-M140 PolarHBondContact O-N 3.18Å; I137-M140 VanDerWaalsContact O-N 3.09Å; I137-F141 HydrophobicContact CG2-CD2 3.84Å; I137-F141 HydrophobicContact CG2-CE2 4.19Å; I137-F141 WeakPolarHBondContact O-CD2 3.37Å; I137-F141 PolarHBondContact O-N 3.45Å; I137-M201 HydrophobicContact CD1-CE 4.27Å; I137-M201 HydrophobicContact CD1-SD 4.15Å; I137-M201 HydrophobicContact CG1-CE 3.49Å; I137-M201 VanDerWaalsContact CG1-CE 3.49Å; I137-M201 HydrophobicContact CG1-SD 3.96Å; I137-L208 HydrophobicContact CD1-CD2 4.45Å
138	N	91.8	Very high	91.9	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-31	178.2	-73.5	-60.2	0	0	0	112.1	Q126 R132 N134 K142	Q126-N138 PolarHBondContact NE2-OD1 2.76Å; R132-N138 PolarHBondContact O-ND2 2.96Å; N134-N138 WeakPolarHBondContact O-CB 3.31Å; N134-N138 PolarHBondContact O-N 2.93Å; N134-N138 PolarHBondContact O-ND2 3.09Å; N138-K142 WeakPolarHBondContact O-CB 3.24Å; N138-K142 PolarHBondContact O-N 3.29Å
139	G	91.9	Very high	91.9	Very high	13 Å²	13	53.2 Å²	53.2	13%	0.134	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-47.5	171.4	0	0	0	0	0	112.9	S135 V136 I137 R190	S135-G139 PolarHBondContact O-N 2.87Å; V136-G139 PolarHBondContact O-N 2.86Å; I137-G139 PolarHBondContact O-N 3.24Å; G139-R190 WeakPolarHBondContact O-CB 3.4Å; G139-R190 WeakPolarHBondContact O-CD 3.24Å
140	M	94.4	Very high	92	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-71.6	-45.7	-178	-73	-64.7	-65	0	0	113.6	V136 I137 Y191 N194 F195 F198 F233	V136-M140 WeakPolarHBondContact O-CG 3.22Å; V136-M140 PolarHBondContact O-N 3.13Å; I137-M140 PolarHBondContact O-N 3.18Å; I137-M140 VanDerWaalsContact O-N 3.09Å; M140-Y191 HydrophobicContact CE-CD2 4.02Å; M140-N194 HydrophobicContact CG-CB 3.86Å; M140-N194 HydrophobicContact SD-CB 3.66Å; M140-F195 HydrophobicContact CE-CB 4.35Å; M140-F195 HydrophobicContact CE-CD2 3.95Å; M140-F195 HydrophobicContact SD-CB 4.31Å; M140-F198 HydrophobicContact CB-CD2 4.35Å; M140-F198 HydrophobicContact CE-CD1 4.19Å; M140-F198 HydrophobicContact CE-CG 4.4Å; M140-F198 HydrophobicContact CG-CB 3.7Å; M140-F198 HydrophobicContact CG-CD1 4.41Å; M140-F198 HydrophobicContact CG-CD2 3.93Å; M140-F198 HydrophobicContact CG-CG 3.74Å; M140-F198 HydrophobicContact SD-CB 4.28Å; M140-F233 HydrophobicContact CB-CE1 4.25Å; M140-F233 HydrophobicContact CB-CE2 4.43Å; M140-F233 HydrophobicContact CB-CZ 3.88Å; M140-F233 HydrophobicContact CE-CB 4.11Å; M140-F233 HydrophobicContact CE-CD1 3.61Å; M140-F233 HydrophobicContact CE-CD2 3.83Å; M140-F233 HydrophobicContact CE-CE1 3.83Å; M140-F233 HydrophobicContact CE-CE2 4.03Å; M140-F233 HydrophobicContact CE-CG 3.61Å; M140-F233 HydrophobicContact CE-CZ 4.03Å
141	F	95.1	Very high	92.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-85.9	-16.2	-171.5	-72.5	-80.6	0	0	0	114.7	L118 V121 N122 I137 D143 I144 P145 F198 V229 F233	L118-F141 HydrophobicContact CB-CE1 4.46Å; L118-F141 HydrophobicContact CD2-CE1 4.22Å; L118-F141 WeakPolarHBondContact O-CD1 3.37Å; L118-F141 VanDerWaalsContact O-CE1 3.31Å; L118-F141 WeakPolarHBondContact O-CE1 3.4Å; V121-F141 HydrophobicContact CB-CE1 4.2Å; V121-F141 HydrophobicContact CB-CZ 4.4Å; V121-F141 HydrophobicContact CG1-CE1 3.87Å; V121-F141 HydrophobicContact CG1-CE2 4.49Å; V121-F141 HydrophobicContact CG1-CZ 3.57Å; N122-F141 HydrophobicContact CB-CB 3.98Å; N122-F141 HydrophobicContact CB-CD1 3.74Å; N122-F141 HydrophobicContact CB-CG 4.02Å; N122-F141 WeakPolarHBondContact OD1-CB 3.32Å; I137-F141 HydrophobicContact CG2-CD2 3.84Å; I137-F141 HydrophobicContact CG2-CE2 4.19Å; I137-F141 WeakPolarHBondContact O-CD2 3.37Å; I137-F141 PolarHBondContact O-N 3.45Å; F141-D143 VanDerWaalsContact C-N 3.28Å; F141-D143 PolarHBondContact O-N 3.2Å; F141-I144 HydrophobicContact CD1-CG1 4.3Å; F141-I144 VanDerWaalsContact O-CB 3.31Å; F141-I144 WeakPolarHBondContact O-CB 3.34Å; F141-I144 PolarHBondContact O-N 2.84Å; F141-P145 WeakPolarHBondContact O-CD 3.39Å; F141-F198 AromaticContact CE2-CE2 3.83Å; F141-F198 HydrophobicContact CE2-CE2 3.83Å; F141-F198 HydrophobicContact CE2-CZ 4.07Å; F141-F198 HydrophobicContact CZ-CE2 4.43Å; F141-F198 HydrophobicContact CZ-CZ 4.22Å; F141-V229 HydrophobicContact CZ-CG1 4.23Å; F141-F233 HydrophobicContact CD1-CE2 4.41Å; F141-F233 AromaticContact CD1-CZ 3.65Å; F141-F233 HydrophobicContact CD1-CZ 3.65Å; F141-F233 HydrophobicContact CD2-CZ 4.2Å; F141-F233 AromaticContact CE1-CE2 3.79Å; F141-F233 HydrophobicContact CE1-CE2 3.79Å; F141-F233 AromaticContact CE1-CZ 3.48Å; F141-F233 HydrophobicContact CE1-CZ 3.48Å; F141-F233 VanDerWaalsContact CE1-CZ 3.48Å; F141-F233 HydrophobicContact CE2-CE2 4.12Å; F141-F233 HydrophobicContact CE2-CZ 4.04Å; F141-F233 HydrophobicContact CG-CZ 4.02Å; F141-F233 AromaticContact CZ-CE2 3.62Å; F141-F233 HydrophobicContact CZ-CE2 3.62Å; F141-F233 AromaticContact CZ-CZ 3.68Å; F141-F233 HydrophobicContact CZ-CZ 3.68Å
142	K	93.8	Very high	92.3	Very high	130 Å²	130	48.5 Å²	48.5	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-39	-171.5	168.5	168.8	173.1	167.6	0	115.7	N138	N138-K142 WeakPolarHBondContact O-CB 3.24Å; N138-K142 PolarHBondContact O-N 3.29Å
143	D	94.5	Very high	92.2	Very high	15 Å²	15	45 Å²	45	8%	0.08	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.2	-176.2	-58.2	-27.1	0	0	0	112.7	F141 S146 L147 S186 F187 R190	F141-D143 VanDerWaalsContact C-N 3.28Å; F141-D143 PolarHBondContact O-N 3.2Å; D143-S146 PolarHBondContact O-N 3.43Å; D143-L147 WeakPolarHBondContact O-CG 3.28Å; D143-L147 PolarHBondContact O-N 3.49Å; D143-S186 VanDerWaalsContact CG-OG 3.26Å; D143-S186 PolarHBondContact OD1-OG 2.82Å; D143-S186 VanDerWaalsContact OD2-CB 3.24Å; D143-S186 WeakPolarHBondContact OD2-CB 3.25Å; D143-S186 PolarHBondContact OD2-OG 3.26Å; D143-F187 HydrophobicContact CB-CB 4.11Å; D143-F187 WeakPolarHBondContact OD2-CA 3.31Å; D143-F187 PolarHBondContact OD2-N 2.89Å; D143-F187 VanDerWaalsContact OD2-N 3.09Å; D143-R190 VanDerWaalsContact CG-NE 3.32Å; D143-R190 IonicContact OD1-CZ 2.67Å; D143-R190 IonicContact OD1-NE 3.59Å; D143-R190 PolarHBondContact OD1-NE 3.37Å; D143-R190 IonicContact OD1-NH2 2.88Å; D143-R190 VanDerWaalsContact OD2-CD 3.24Å; D143-R190 WeakPolarHBondContact OD2-CD 3.5Å; D143-R190 IonicContact OD2-CZ 3.21Å; D143-R190 IonicContact OD2-NE 2.72Å; D143-R190 PolarHBondContact OD2-NE 3.04Å
144	I	96.3	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-44.4	-177.2	-65.5	-66.8	0	0	0	113.3	I115 L118 K119 F141 S146 L147 F148 F187 F233	I115-I144 HydrophobicContact CG2-CG2 4.34Å; L118-I144 HydrophobicContact CB-CD1 4.27Å; L118-I144 HydrophobicContact CB-CG1 4.5Å; L118-I144 HydrophobicContact CB-CG2 3.84Å; L118-I144 HydrophobicContact CD1-CD1 3.98Å; K119-I144 HydrophobicContact CB-CG2 4.1Å; F141-I144 HydrophobicContact CD1-CG1 4.3Å; F141-I144 VanDerWaalsContact O-CB 3.31Å; F141-I144 WeakPolarHBondContact O-CB 3.34Å; F141-I144 PolarHBondContact O-N 2.84Å; I144-S146 PolarHBondContact O-N 2.82Å; I144-L147 HydrophobicContact CD1-CD1 4.34Å; I144-L147 PolarHBondContact O-N 3.02Å; I144-F148 PolarHBondContact O-N 3.11Å; I144-F187 HydrophobicContact CD1-CD2 4.42Å; I144-F187 HydrophobicContact CD1-CE2 3.91Å; I144-F233 HydrophobicContact CD1-CD1 4.37Å; I144-F233 HydrophobicContact CD1-CE1 3.85Å; I144-F233 HydrophobicContact CG1-CE1 3.98Å
145	P	95.1	Very high	92	Very high	49 Å²	49	38 Å²	38	32%	0.318	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-28.2	177.5	-24.6	35.5	0	0	0	113.7	F141	F141-P145 WeakPolarHBondContact O-CD 3.39Å
146	S	94	Very high	91.6	Very high	60 Å²	60	39.4 Å²	39.4	42%	0.42	20%	0.199	S	C	.	.	H	α-helix	trans	-78.5	-38.2	174.8	-58	0	0	0	0	112	D143 I144 F148 L150	D143-S146 PolarHBondContact O-N 3.43Å; I144-S146 PolarHBondContact O-N 2.82Å; S146-F148 VanDerWaalsContact C-N 3.34Å; S146-L150 PolarHBondContact O-N 3.13Å
147	L	94.9	Very high	91	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-36.8	171.5	-72	172.2	0	0	0	111.8	I115 D143 I144 K149 L150 H151 I183 Y184 F187 V236	I115-L147 HydrophobicContact CG2-CB 4.25Å; D143-L147 WeakPolarHBondContact O-CG 3.28Å; D143-L147 PolarHBondContact O-N 3.49Å; I144-L147 HydrophobicContact CD1-CD1 4.34Å; I144-L147 PolarHBondContact O-N 3.02Å; L147-K149 PolarHBondContact O-N 3.14Å; L147-L150 HydrophobicContact CD2-CD2 4.23Å; L147-L150 WeakPolarHBondContact O-CB 3.21Å; L147-L150 PolarHBondContact O-N 2.85Å; L147-H151 PolarHBondContact O-CD2 2.71Å; L147-H151 VanDerWaalsContact O-CD2 3.25Å; L147-H151 PolarHBondContact O-N 2.95Å; L147-I183 HydrophobicContact CD2-CB 4.49Å; L147-I183 HydrophobicContact CD2-CG2 3.82Å; L147-I183 HydrophobicContact CG-CG2 4.04Å; L147-Y184 HydrophobicContact CD2-CD1 4.27Å; L147-Y184 HydrophobicContact CD2-CD2 4.05Å; L147-Y184 HydrophobicContact CD2-CE1 4.23Å; L147-Y184 HydrophobicContact CD2-CE2 4.01Å; L147-Y184 HydrophobicContact CD2-CG 4.21Å; L147-F187 HydrophobicContact CD1-CB 3.94Å; L147-F187 HydrophobicContact CD1-CD1 4.15Å; L147-F187 HydrophobicContact CD1-CD2 3.77Å; L147-F187 HydrophobicContact CD1-CE2 4.35Å; L147-F187 HydrophobicContact CD1-CG 3.66Å; L147-V236 HydrophobicContact CD1-CG1 3.99Å
148	F	95	Very high	90.1	Very high	30 Å²	30	38.8 Å²	38.8	13%	0.132	20%	0.195	C	C	.	.	H	α-helix	trans	-56.4	-54.2	177.3	-179.6	-100.9	0	0	0	111.5	L112 I115 R116 K119 I144 S146 L150 H151 E152	L112-F148 HydrophobicContact CD1-CD2 3.98Å; L112-F148 HydrophobicContact CD1-CE2 3.65Å; L112-F148 HydrophobicContact CD1-CZ 4.37Å; I115-F148 HydrophobicContact CG2-CB 3.86Å; I115-F148 HydrophobicContact CG2-CD2 4.29Å; R116-F148 HydrophobicContact CB-CD2 4.21Å; R116-F148 HydrophobicContact CB-CE2 3.71Å; R116-F148 HydrophobicContact CG-CE2 3.76Å; R116-F148 HydrophobicContact CG-CZ 4.37Å; K119-F148 HydrophobicContact CD-CB 4.29Å; K119-F148 HydrophobicContact CD-CD1 3.91Å; K119-F148 HydrophobicContact CD-CD2 4.38Å; K119-F148 HydrophobicContact CD-CE1 4.42Å; K119-F148 HydrophobicContact CD-CG 3.89Å; I144-F148 PolarHBondContact O-N 3.11Å; S146-F148 VanDerWaalsContact C-N 3.34Å; F148-L150 VanDerWaalsContact C-N 3.26Å; F148-L150 PolarHBondContact O-N 3.45Å; F148-H151 PolarHBondContact O-N 3.33Å; F148-E152 VanDerWaalsContact CE1-OE1 3.28Å; F148-E152 WeakPolarHBondContact CE1-OE1 3.35Å; F148-E152 WeakPolarHBondContact O-CB 3.37Å; F148-E152 PolarHBondContact O-N 2.99Å
149	K	92.3	Very high	89	Confident	146 Å²	146	40.5 Å²	40.5	64%	0.635	20%	0.204	S	C	*	.	H	α-helix	trans	-60.9	-32.1	178	-66.4	-174.1	175.4	-168.1	0	113.6	L147 H153	L147-K149 PolarHBondContact O-N 3.14Å; K149-H153 WeakPolarHBondContact O-CB 3.37Å; K149-H153 PolarHBondContact O-N 3.49Å
150	L	91	Very high	87.4	Confident	10 Å²	10	44 Å²	44	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-42.6	173.7	168.8	60.7	0	0	0	111.5	S146 L147 F148 L154 I180 L181 Y184	S146-L150 PolarHBondContact O-N 3.13Å; L147-L150 HydrophobicContact CD2-CD2 4.23Å; L147-L150 WeakPolarHBondContact O-CB 3.21Å; L147-L150 PolarHBondContact O-N 2.85Å; F148-L150 VanDerWaalsContact C-N 3.26Å; F148-L150 PolarHBondContact O-N 3.45Å; L150-L154 HydrophobicContact CD1-CD1 3.91Å; L150-L154 HydrophobicContact CD1-CG 4.19Å; L150-L154 HydrophobicContact CG-CD1 3.93Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CD1 3.48Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 2.9Å; L150-I180 HydrophobicContact CD1-CB 4.2Å; L150-I180 HydrophobicContact CD1-CG2 3.87Å; L150-L181 HydrophobicContact CD1-CD2 4.12Å; L150-L181 HydrophobicContact CD2-CD2 4.14Å; L150-Y184 HydrophobicContact CD2-CD2 4.38Å; L150-Y184 HydrophobicContact CD2-CE2 4.16Å
151	H	91.3	Very high	85.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-77	-26.7	179.4	-77.4	-78.4	0	0	0	113.9	L111 L112 I115 L147 F148 T155 Y184	L111-H151 WeakPolarHBondContact CD2-CE1 3.27Å; L112-H151 HydrophobicContact CB-CB 4.37Å; L112-H151 HydrophobicContact CD1-CB 3.9Å; I115-H151 HydrophobicContact CD1-CB 4.34Å; I115-H151 WeakPolarHBondContact CD1-CD2 3.19Å; L147-H151 PolarHBondContact O-CD2 2.71Å; L147-H151 VanDerWaalsContact O-CD2 3.25Å; L147-H151 PolarHBondContact O-N 2.95Å; F148-H151 PolarHBondContact O-N 3.33Å; H151-T155 WeakPolarHBondContact O-CB 3.31Å; H151-T155 PolarHBondContact O-N 3.09Å; H151-T155 PolarHBondContact O-OG1 3.44Å; H151-Y184 PolarHBondContact CE1-OH 3.28Å; H151-Y184 VanDerWaalsContact CE1-OH 3.26Å; H151-Y184 AromaticContact NE2-CE2 3.98Å; H151-Y184 AromaticContact NE2-CZ 3.69Å; H151-Y184 PolarHBondContact NE2-OH 2.95Å
152	E	90.7	Very high	83.6	Confident	77 Å²	77	57.2 Å²	57.2	36%	0.36	29%	0.285	S	S	.	.	H	α-helix	trans	-58.4	-61.5	167.3	-170.2	167.1	-121.6	0	0	109.4	L112 F148 L154 T155 E156	L112-E152 HydrophobicContact CD1-CB 4.49Å; F148-E152 VanDerWaalsContact CE1-OE1 3.28Å; F148-E152 WeakPolarHBondContact CE1-OE1 3.35Å; F148-E152 WeakPolarHBondContact O-CB 3.37Å; F148-E152 PolarHBondContact O-N 2.99Å; E152-L154 PolarHBondContact O-N 3.5Å; E152-T155 PolarHBondContact O-N 3Å; E152-T155 VanDerWaalsContact O-N 3.09Å; E152-E156 WeakPolarHBondContact O-CG 3.47Å; E152-E156 PolarHBondContact O-N 3.46Å
153	H	86	Confident	81.6	Confident	74 Å²	74	54.1 Å²	54.1	34%	0.343	28%	0.284	S	S	.	.	H	α-helix	trans	-58.1	-41	176.3	-173	96.1	0	0	0	113.7	K149 T155 S157 E177	K149-H153 WeakPolarHBondContact O-CB 3.37Å; K149-H153 PolarHBondContact O-N 3.49Å; H153-T155 PolarHBondContact O-N 3.34Å; H153-S157 WeakPolarHBondContact O-CB 3.39Å; H153-S157 PolarHBondContact O-N 3.03Å; H153-S157 PolarHBondContact O-OG 3.38Å; H153-E177 IonicContact CD2-OE1 2.61Å; H153-E177 IonicContact CE1-OE1 3.58Å; H153-E177 PolarHBondContact CE1-OE1 3.08Å; H153-E177 IonicContact NE2-OE1 3.77Å; H153-E177 PolarHBondContact NE2-OE1 3.5Å
154	L	84.7	Confident	79.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-49.7	174.1	-83.4	161.7	0	0	0	110.8	L150 E152 S157 F158 A171 F172	L150-L154 HydrophobicContact CD1-CD1 3.91Å; L150-L154 HydrophobicContact CD1-CG 4.19Å; L150-L154 HydrophobicContact CG-CD1 3.93Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CD1 3.48Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 2.9Å; E152-L154 PolarHBondContact O-N 3.5Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 3Å; L154-F158 WeakPolarHBondContact O-CD2 3.5Å; L154-F158 PolarHBondContact O-N 3.44Å; L154-A171 HydrophobicContact CD2-CB 3.45Å; L154-A171 VanDerWaalsContact CD2-CB 3.45Å; L154-A171 HydrophobicContact CG-CB 4.3Å; L154-F172 HydrophobicContact CD2-CD2 4.45Å; L154-F172 HydrophobicContact CD2-CE2 3.71Å; L154-F172 HydrophobicContact CD2-CZ 3.76Å
155	T	84.1	Confident	78.2	Confident	12 Å²	12	65.8 Å²	65.8	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-67.5	-41.7	-175.7	-54.8	0	0	0	0	111.6	K109 L112 H151 E152 H153 S157 F158 D159	K109-T155 HydrophobicContact CD-CG2 4.48Å; K109-T155 HydrophobicContact CG-CG2 3.7Å; L112-T155 HydrophobicContact CD2-CG2 4.21Å; H151-T155 WeakPolarHBondContact O-CB 3.31Å; H151-T155 PolarHBondContact O-N 3.09Å; H151-T155 PolarHBondContact O-OG1 3.44Å; E152-T155 PolarHBondContact O-N 3Å; E152-T155 VanDerWaalsContact O-N 3.09Å; H153-T155 PolarHBondContact O-N 3.34Å; T155-S157 VanDerWaalsContact C-N 3.28Å; T155-S157 PolarHBondContact O-N 3.37Å; T155-F158 WeakPolarHBondContact O-CB 3.42Å; T155-F158 PolarHBondContact O-N 2.99Å; T155-F158 VanDerWaalsContact O-N 3.15Å; T155-D159 PolarHBondContact O-N 2.69Å; T155-D159 VanDerWaalsContact O-N 3.12Å
156	E	83.7	Confident	77.1	Confident	126 Å²	126	64.8 Å²	64.8	59%	0.589	33%	0.334	S	S	*	.	H	α-helix	trans	-57.5	-41.7	171.5	-69.2	176.1	172	0	0	111.6	E152 F158 D159 S160	E152-E156 WeakPolarHBondContact O-CG 3.47Å; E152-E156 PolarHBondContact O-N 3.46Å; E156-F158 VanDerWaalsContact C-N 3.27Å; E156-F158 PolarHBondContact O-N 3.49Å; E156-D159 PolarHBondContact O-N 3.4Å; E156-S160 PolarHBondContact O-N 2.82Å; E156-S160 VanDerWaalsContact O-N 3.16Å
157	S	77.9	Confident	76.1	Confident	11 Å²	11	66.2 Å²	66.2	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-21.2	178.8	78.5	0	0	0	0	114.3	H153 L154 T155 S160 P169	H153-S157 WeakPolarHBondContact O-CB 3.39Å; H153-S157 PolarHBondContact O-N 3.03Å; H153-S157 PolarHBondContact O-OG 3.38Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 3Å; T155-S157 VanDerWaalsContact C-N 3.28Å; T155-S157 PolarHBondContact O-N 3.37Å; S157-S160 PolarHBondContact O-OG 3.48Å; S157-P169 WeakPolarHBondContact OG-CB 3.44Å
158	F	74.1	Confident	75.3	Confident	5 Å²	5	66.2 Å²	66.2	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-77.2	-50.7	168	-79.2	-85.1	0	0	0	111.8	F101 M104 L105 L154 T155 E156 S160 R161 P169 F172	F101-F158 HydrophobicContact CE1-CD1 4.25Å; F101-F158 HydrophobicContact CE2-CD1 4.28Å; F101-F158 HydrophobicContact CE2-CE1 4.18Å; F101-F158 AromaticContact CZ-CD1 3.79Å; F101-F158 HydrophobicContact CZ-CD1 3.79Å; F101-F158 HydrophobicContact CZ-CE1 4.15Å; M104-F158 HydrophobicContact CE-CE1 3.72Å; M104-F158 HydrophobicContact CE-CZ 3.9Å; M104-F158 HydrophobicContact CG-CE1 4.22Å; M104-F158 HydrophobicContact CG-CZ 3.88Å; M104-F158 HydrophobicContact SD-CZ 4.41Å; L105-F158 HydrophobicContact CB-CD1 4.21Å; L105-F158 HydrophobicContact CD1-CB 3.56Å; L105-F158 HydrophobicContact CD1-CD1 4.22Å; L105-F158 HydrophobicContact CD1-CD2 4.47Å; L105-F158 HydrophobicContact CD1-CG 3.89Å; L154-F158 WeakPolarHBondContact O-CD2 3.5Å; L154-F158 PolarHBondContact O-N 3.44Å; T155-F158 WeakPolarHBondContact O-CB 3.42Å; T155-F158 PolarHBondContact O-N 2.99Å; T155-F158 VanDerWaalsContact O-N 3.15Å; E156-F158 VanDerWaalsContact C-N 3.27Å; E156-F158 PolarHBondContact O-N 3.49Å; F158-S160 PolarHBondContact O-N 2.94Å; F158-S160 VanDerWaalsContact O-N 3.12Å; F158-R161 PolarHBondContact O-N 3Å; F158-P169 HydrophobicContact CD1-CG 3.44Å; F158-P169 VanDerWaalsContact CD1-CG 3.44Å; F158-P169 HydrophobicContact CD2-CG 3.97Å; F158-P169 HydrophobicContact CE1-CG 3.42Å; F158-P169 VanDerWaalsContact CE1-CG 3.42Å; F158-P169 HydrophobicContact CE2-CG 3.93Å; F158-P169 HydrophobicContact CG-CG 3.72Å; F158-P169 HydrophobicContact CZ-CG 3.66Å; F158-F172 HydrophobicContact CE2-CE2 4.2Å; F158-F172 HydrophobicContact CZ-CE2 4.04Å
159	D	68.7	Low	74.4	Confident	88 Å²	88	64.9 Å²	64.9	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-14.2	-173.1	-76.4	-16.1	0	0	0	113.4	K109 T155 E156 R161	K109-D159 VanDerWaalsContact CE-OD1 3.3Å; K109-D159 WeakPolarHBondContact CE-OD1 3.44Å; K109-D159 WeakPolarHBondContact CE-OD2 3.4Å; K109-D159 IonicContact NZ-OD1 3.73Å; K109-D159 PolarHBondContact NZ-OD1 3.26Å; K109-D159 IonicContact NZ-OD2 2.68Å; K109-D159 PolarHBondContact NZ-OD2 3.08Å; T155-D159 PolarHBondContact O-N 2.69Å; T155-D159 VanDerWaalsContact O-N 3.12Å; E156-D159 PolarHBondContact O-N 3.4Å; D159-R161 PolarHBondContact O-N 3.42Å
160	S	58.7	Low	73.4	Confident	86 Å²	86	59.8 Å²	59.8	60%	0.601	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-4	172.8	70.6	0	0	0	0	116.2	E156 S157 F158	E156-S160 PolarHBondContact O-N 2.82Å; E156-S160 VanDerWaalsContact O-N 3.16Å; S157-S160 PolarHBondContact O-OG 3.48Å; F158-S160 PolarHBondContact O-N 2.94Å; F158-S160 VanDerWaalsContact O-N 3.12Å
161	R	58.3	Low	72.5	Confident	77 Å²	77	59.4 Å²	59.4	29%	0.291	31%	0.31	S	S	.	.			trans	-127.7	95.2	-172.6	-56.7	-165.3	-163.4	177.8	19	114.1	F158 D159 A163 E167 L168	F158-R161 PolarHBondContact O-N 3Å; D159-R161 PolarHBondContact O-N 3.42Å; R161-A163 PolarHBondContact O-N 2.72Å; R161-E167 IonicContact CZ-OE2 2.97Å; R161-E167 IonicContact NH1-OE2 2.92Å; R161-E167 PolarHBondContact NH1-OE2 2.74Å; R161-L168 VanDerWaalsContact CZ-O 3.28Å; R161-L168 PolarHBondContact NH1-O 3.42Å; R161-L168 PolarHBondContact NH2-O 2.73Å
162	E	50	Low	72.1	Confident	204 Å²	204	59.5 Å²	59.5	95%	0.953	31%	0.31	S	S	*	.			trans	-82.6	20	162.4	-60.5	-169.4	134.6	0	0	112.9
163	A	52.3	Low	71.6	Confident	64 Å²	64	57.2 Å²	57.2	53%	0.529	30%	0.301	S	S	.	.			trans	-75.8	145.2	-176.1	0	0	0	0	0	112.4	R161 D165	R161-A163 PolarHBondContact O-N 2.72Å; A163-D165 VanDerWaalsContact C-N 3.25Å; A163-D165 PolarHBondContact O-N 2.88Å
164	E	56.2	Low	71.4	Confident	158 Å²	158	55.5 Å²	55.5	74%	0.738	30%	0.298	S	S	*	.	S	Bend	trans	-68.1	-22.7	178.6	-67.6	-160.8	110.9	0	0	113.8	R98	R98-E164 PolarHBondContact NE-O 3.08Å; R98-E164 PolarHBondContact NH2-O 3.04Å
165	D	63.9	Low	71.3	Confident	102 Å²	102	59.5 Å²	59.5	55%	0.545	32%	0.319	S	S	.	.	S	Bend	trans	-93.3	141.3	-174	-74.5	-56.2	0	0	0	112.7	R94 A163 E167	R94-D165 IonicContact NH2-OD1 3.38Å; A163-D165 VanDerWaalsContact C-N 3.25Å; A163-D165 PolarHBondContact O-N 2.88Å; D165-E167 PolarHBondContact O-N 2.99Å; D165-E167 VanDerWaalsContact O-N 3.14Å
166	V	70.4	Confident	71.1	Confident	28 Å²	28	67.3 Å²	67.3	17%	0.17	35%	0.352	C	S	.	.			trans	-87.5	85.8	-172.3	-172.6	0	0	0	0	110.5	A97 R98 F101 L250	A97-V166 HydrophobicContact CB-CB 4.48Å; A97-V166 HydrophobicContact CB-CG1 4.4Å; A97-V166 HydrophobicContact CB-CG2 4.2Å; R98-V166 HydrophobicContact CB-CG2 4.39Å; R98-V166 HydrophobicContact CG-CG2 3.45Å; R98-V166 VanDerWaalsContact CG-CG2 3.45Å; F101-V166 HydrophobicContact CB-CG1 3.93Å; F101-V166 HydrophobicContact CD2-CG1 4.01Å; F101-V166 HydrophobicContact CG-CG1 4.16Å; V166-L250 HydrophobicContact CG1-CD1 3.79Å
167	E	72.9	Confident	70.9	Confident	90 Å²	90	63.1 Å²	63.1	42%	0.421	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-104	146.3	175.8	-59.2	-176.7	150.6	0	0	112	F101 R161 D165	F101-E167 WeakPolarHBondContact CE2-O 3.31Å; R161-E167 IonicContact CZ-OE2 2.97Å; R161-E167 IonicContact NH1-OE2 2.92Å; R161-E167 PolarHBondContact NH1-OE2 2.74Å; D165-E167 PolarHBondContact O-N 2.99Å; D165-E167 VanDerWaalsContact O-N 3.14Å
168	L	78.3	Confident	71.2	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-71	144.4	172.6	-74	-179.8	0	0	0	112.7	M104 R161 F172 T173 I247 L250 E260 V264 A267	M104-L168 HydrophobicContact CE-CD2 3.67Å; R161-L168 VanDerWaalsContact CZ-O 3.28Å; R161-L168 PolarHBondContact NH1-O 3.42Å; R161-L168 PolarHBondContact NH2-O 2.73Å; L168-F172 HydrophobicContact CB-CB 4.32Å; L168-F172 HydrophobicContact CD1-CB 4.15Å; L168-T173 HydrophobicContact CB-CG2 3.68Å; L168-I247 HydrophobicContact CD1-CG2 4.45Å; L168-I247 HydrophobicContact CD2-CG1 4.48Å; L168-L250 HydrophobicContact CD2-CD2 3.89Å; L168-L250 HydrophobicContact CG-CD2 4.42Å; L168-E260 VanDerWaalsContact CB-OE1 3.29Å; L168-E260 WeakPolarHBondContact CB-OE1 3.48Å; L168-E260 WeakPolarHBondContact CG-OE1 3.24Å; L168-E260 PolarHBondContact N-OE1 3.13Å; L168-V264 HydrophobicContact CD1-CB 4.23Å; L168-V264 HydrophobicContact CD1-CG2 3.66Å; L168-V264 HydrophobicContact CG-CG2 3.85Å; L168-A267 HydrophobicContact CD1-CB 3.79Å
169	P	76	Confident	71.8	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-54.4	151.1	169.5	-22.2	30.8	0	0	0	112.1	S157 F158 A171 F172	S157-P169 WeakPolarHBondContact OG-CB 3.44Å; F158-P169 HydrophobicContact CD1-CG 3.44Å; F158-P169 VanDerWaalsContact CD1-CG 3.44Å; F158-P169 HydrophobicContact CD2-CG 3.97Å; F158-P169 HydrophobicContact CE1-CG 3.42Å; F158-P169 VanDerWaalsContact CE1-CG 3.42Å; F158-P169 HydrophobicContact CE2-CG 3.93Å; F158-P169 HydrophobicContact CG-CG 3.72Å; F158-P169 HydrophobicContact CZ-CG 3.66Å; P169-A171 PolarHBondContact O-N 2.87Å; P169-A171 VanDerWaalsContact O-N 3.11Å; P169-F172 HydrophobicContact CB-CD2 4.16Å; P169-F172 HydrophobicContact CG-CD2 4.13Å; P169-F172 HydrophobicContact CG-CE2 4.38Å; P169-F172 PolarHBondContact O-N 2.99Å
170	S	72.5	Confident	72.6	Confident	39 Å²	39	67.4 Å²	67.4	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-33.6	-174.5	65.3	0	0	0	0	111.9	F172 T173 S174 E177	S170-F172 PolarHBondContact O-N 3Å; S170-T173 PolarHBondContact O-N 3.25Å; S170-T173 PolarHBondContact O-OG1 3.26Å; S170-S174 WeakPolarHBondContact O-CB 3.19Å; S170-S174 PolarHBondContact O-N 3.48Å; S170-E177 WeakPolarHBondContact CB-OE2 3.21Å; S170-E177 PolarHBondContact OG-OE2 3.02Å
171	A	72.1	Confident	74.1	Confident	3 Å²	3	63.4 Å²	63.4	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-56.1	-18.8	176	0	0	0	0	0	115.4	L154 P169 E177 M178	L154-A171 HydrophobicContact CD2-CB 3.45Å; L154-A171 VanDerWaalsContact CD2-CB 3.45Å; L154-A171 HydrophobicContact CG-CB 4.3Å; P169-A171 PolarHBondContact O-N 2.87Å; P169-A171 VanDerWaalsContact O-N 3.11Å; A171-E177 HydrophobicContact CB-CB 4.45Å; A171-E177 PolarHBondContact N-OE2 2.88Å; A171-M178 WeakPolarHBondContact O-CA 3.07Å; A171-M178 PolarHBondContact O-N 3.34Å
172	F	82.6	Confident	75.7	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-105.1	-14.2	175	-63.4	-74.9	0	0	0	114	L154 F158 L168 P169 S170 Y243 I247 A267 I271	L154-F172 HydrophobicContact CD2-CD2 4.45Å; L154-F172 HydrophobicContact CD2-CE2 3.71Å; L154-F172 HydrophobicContact CD2-CZ 3.76Å; F158-F172 HydrophobicContact CE2-CE2 4.2Å; F158-F172 HydrophobicContact CZ-CE2 4.04Å; L168-F172 HydrophobicContact CB-CB 4.32Å; L168-F172 HydrophobicContact CD1-CB 4.15Å; P169-F172 HydrophobicContact CB-CD2 4.16Å; P169-F172 HydrophobicContact CG-CD2 4.13Å; P169-F172 HydrophobicContact CG-CE2 4.38Å; P169-F172 PolarHBondContact O-N 2.99Å; S170-F172 PolarHBondContact O-N 3Å; F172-Y243 AromaticContact CZ-CD1 3.95Å; F172-Y243 HydrophobicContact CZ-CD1 3.95Å; F172-Y243 HydrophobicContact CZ-CE1 4.12Å; F172-Y243 HydrophobicContact CZ-CG 4.34Å; F172-I247 HydrophobicContact CD1-CD1 3.92Å; F172-I247 HydrophobicContact CE1-CD1 4.11Å; F172-I247 HydrophobicContact CG-CD1 4.44Å; F172-A267 HydrophobicContact CB-CB 4.06Å; F172-A267 WeakPolarHBondContact O-CB 3.46Å; F172-I271 HydrophobicContact CD1-CD1 3.95Å; F172-I271 HydrophobicContact CE1-CD1 3.88Å
173	T	80.1	Confident	77.6	Confident	30 Å²	30	54.9 Å²	54.9	18%	0.184	29%	0.288	C	S	.	.	H	α-helix	trans	-108.5	-34.8	-175.9	67.3	0	0	0	0	113	L168 S170 N263 K266	L168-T173 HydrophobicContact CB-CG2 3.68Å; S170-T173 PolarHBondContact O-N 3.25Å; S170-T173 PolarHBondContact O-OG1 3.26Å; T173-N263 HydrophobicContact CG2-CB 3.86Å; T173-K266 PolarHBondContact O-NZ 2.92Å
174	S	82.1	Confident	79.7	Confident	38 Å²	38	51.9 Å²	51.9	27%	0.266	26%	0.263	S	S	.	.			trans	-75.4	119.8	176.8	177	0	0	0	0	111.4	S170 K176 E177 M178	S170-S174 WeakPolarHBondContact O-CB 3.19Å; S170-S174 PolarHBondContact O-N 3.48Å; S174-K176 PolarHBondContact O-N 2.95Å; S174-K176 VanDerWaalsContact O-N 3.13Å; S174-E177 WeakPolarHBondContact CB-OE2 3.35Å; S174-E177 PolarHBondContact O-N 3.23Å; S174-E177 VanDerWaalsContact O-N 3.16Å; S174-M178 WeakPolarHBondContact O-CB 3.31Å; S174-M178 PolarHBondContact O-N 3.09Å
175	D	82.3	Confident	81.4	Confident	86 Å²	86	47 Å²	47	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-26.1	179.2	-63.5	-68	0	0	0	113.4	Q179 K266	D175-Q179 WeakPolarHBondContact O-CB 3.44Å; D175-Q179 WeakPolarHBondContact O-CG 3.37Å; D175-Q179 PolarHBondContact O-N 3.41Å; D175-Q179 PolarHBondContact O-NE2 2.97Å; D175-K266 WeakPolarHBondContact OD1-CE 3.44Å; D175-K266 IonicContact OD1-NZ 2.64Å; D175-K266 PolarHBondContact OD1-NZ 3.4Å; D175-K266 IonicContact OD2-NZ 3.39Å; D175-K266 PolarHBondContact OD2-NZ 3.21Å
176	K	80.5	Confident	82.7	Confident	175 Å²	175	44 Å²	44	76%	0.761	23%	0.226	S	C	*	.	H	α-helix	trans	-73.7	-41.9	177.8	-68	-178.6	179	177.5	0	112	S174	S174-K176 PolarHBondContact O-N 2.95Å; S174-K176 VanDerWaalsContact O-N 3.13Å
177	E	78.7	Confident	83.9	Confident	38 Å²	38	42.7 Å²	42.7	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-81.9	-40	-176.5	-59	-178.3	122.9	0	0	110.9	H153 S170 A171 S174 Q179 I180	H153-E177 IonicContact CD2-OE1 2.61Å; H153-E177 IonicContact CE1-OE1 3.58Å; H153-E177 PolarHBondContact CE1-OE1 3.08Å; H153-E177 IonicContact NE2-OE1 3.77Å; H153-E177 PolarHBondContact NE2-OE1 3.5Å; S170-E177 WeakPolarHBondContact CB-OE2 3.21Å; S170-E177 PolarHBondContact OG-OE2 3.02Å; A171-E177 HydrophobicContact CB-CB 4.45Å; A171-E177 PolarHBondContact N-OE2 2.88Å; S174-E177 WeakPolarHBondContact CB-OE2 3.35Å; S174-E177 PolarHBondContact O-N 3.23Å; S174-E177 VanDerWaalsContact O-N 3.16Å; E177-Q179 PolarHBondContact O-N 3.1Å; E177-I180 WeakPolarHBondContact O-CB 3.45Å; E177-I180 WeakPolarHBondContact O-CG1 2.9Å; E177-I180 PolarHBondContact O-N 3.45Å
178	M	84.8	Confident	85.1	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-31.4	173.1	-173.2	170.9	63.5	0	0	111.9	A171 S174 I180 L181 K266 F270	A171-M178 WeakPolarHBondContact O-CA 3.07Å; A171-M178 PolarHBondContact O-N 3.34Å; S174-M178 WeakPolarHBondContact O-CB 3.31Å; S174-M178 PolarHBondContact O-N 3.09Å; M178-I180 VanDerWaalsContact C-N 3.26Å; M178-I180 PolarHBondContact O-N 3.35Å; M178-L181 HydrophobicContact CG-CD1 4.23Å; M178-L181 VanDerWaalsContact O-CB 3.31Å; M178-L181 WeakPolarHBondContact O-CB 3.31Å; M178-L181 WeakPolarHBondContact O-CG 3.48Å; M178-L181 PolarHBondContact O-N 3.24Å; M178-K266 HydrophobicContact CE-CG 4.33Å; M178-F270 HydrophobicContact CE-CB 3.94Å; M178-F270 HydrophobicContact CE-CD2 3.75Å; M178-F270 HydrophobicContact CE-CE2 4.44Å; M178-F270 HydrophobicContact CE-CG 3.85Å; M178-F270 HydrophobicContact CG-CB 4.17Å; M178-F270 HydrophobicContact CG-CD1 3.35Å; M178-F270 HydrophobicContact CG-CD2 3.98Å; M178-F270 HydrophobicContact CG-CE1 3.63Å; M178-F270 HydrophobicContact CG-CE2 4.2Å; M178-F270 HydrophobicContact CG-CG 3.55Å; M178-F270 HydrophobicContact CG-CZ 4.04Å; M178-F270 WeakPolarHBondContact O-CE1 3.23Å; M178-F270 WeakPolarHBondContact O-CZ 3.23Å; M178-F270 HydrophobicContact SD-CB 3.44Å; M178-F270 WeakPolarHBondContact SD-CB 3.38Å; M178-F270 HydrophobicContact SD-CD1 3.85Å; M178-F270 HydrophobicContact SD-CD2 4.03Å; M178-F270 HydrophobicContact SD-CG 3.5Å; M178-F270 WeakPolarHBondContact SD-CG 3.22Å
179	Q	86.1	Confident	85.7	Confident	116 Å²	116	39.8 Å²	39.8	54%	0.542	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-63.3	-25.5	171.2	-87.4	172.9	77.2	0	0	114.2	D175 E177 L181 N182	D175-Q179 WeakPolarHBondContact O-CB 3.44Å; D175-Q179 WeakPolarHBondContact O-CG 3.37Å; D175-Q179 PolarHBondContact O-N 3.41Å; D175-Q179 PolarHBondContact O-NE2 2.97Å; E177-Q179 PolarHBondContact O-N 3.1Å; Q179-L181 PolarHBondContact O-N 3.12Å; Q179-N182 WeakPolarHBondContact O-CB 3.46Å; Q179-N182 PolarHBondContact O-N 3.4Å; Q179-N182 PolarHBondContact O-ND2 2.93Å
180	I	86.6	Confident	86.5	Confident	72 Å²	72	43.2 Å²	43.2	37%	0.369	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-66.7	-28.4	178.1	-50.9	172.5	0	0	0	110.5	L150 E177 M178 N182 I183	L150-I180 HydrophobicContact CD1-CB 4.2Å; L150-I180 HydrophobicContact CD1-CG2 3.87Å; E177-I180 WeakPolarHBondContact O-CB 3.45Å; E177-I180 WeakPolarHBondContact O-CG1 2.9Å; E177-I180 PolarHBondContact O-N 3.45Å; M178-I180 VanDerWaalsContact C-N 3.26Å; M178-I180 PolarHBondContact O-N 3.35Å; I180-N182 PolarHBondContact O-N 3.38Å; I180-I183 HydrophobicContact CG2-CD1 3.73Å; I180-I183 WeakPolarHBondContact O-CD1 3.36Å; I180-I183 VanDerWaalsContact O-CG1 3.28Å; I180-I183 WeakPolarHBondContact O-CG1 3.46Å; I180-I183 PolarHBondContact O-N 3.22Å; I180-I183 VanDerWaalsContact O-N 3.11Å
181	L	90	Very high	87.6	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.3	-21.6	174.6	-57.1	176.2	0	0	0	113	L150 M178 Q179 I183 Y184 F270 I271 L274	L150-L181 HydrophobicContact CD1-CD2 4.12Å; L150-L181 HydrophobicContact CD2-CD2 4.14Å; M178-L181 HydrophobicContact CG-CD1 4.23Å; M178-L181 VanDerWaalsContact O-CB 3.31Å; M178-L181 WeakPolarHBondContact O-CB 3.31Å; M178-L181 WeakPolarHBondContact O-CG 3.48Å; M178-L181 PolarHBondContact O-N 3.24Å; Q179-L181 PolarHBondContact O-N 3.12Å; L181-I183 PolarHBondContact O-N 3.49Å; L181-Y184 WeakPolarHBondContact O-CB 3.35Å; L181-Y184 PolarHBondContact O-N 2.89Å; L181-F270 HydrophobicContact CB-CE1 4.17Å; L181-F270 HydrophobicContact CD1-CD1 4.37Å; L181-F270 HydrophobicContact CD1-CE1 4.18Å; L181-I271 HydrophobicContact CD1-CG1 4.19Å; L181-L274 HydrophobicContact CB-CD2 3.77Å; L181-L274 WeakPolarHBondContact O-CD2 3.25Å
182	N	90.4	Very high	88.6	Confident	53 Å²	53	45.2 Å²	45.2	28%	0.283	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59	-16	175.8	-70.8	-74.8	0	0	0	113.7	Q179 I180 Y184 K185 R277	Q179-N182 WeakPolarHBondContact O-CB 3.46Å; Q179-N182 PolarHBondContact O-N 3.4Å; Q179-N182 PolarHBondContact O-ND2 2.93Å; I180-N182 PolarHBondContact O-N 3.38Å; N182-Y184 PolarHBondContact O-N 3.24Å; N182-K185 WeakPolarHBondContact O-CB 3.49Å; N182-K185 PolarHBondContact O-N 3.01Å; N182-R277 PolarHBondContact OD1-NH1 2.84Å; N182-R277 PolarHBondContact OD1-NH2 3.18Å
183	I	91.7	Very high	89	Confident	48 Å²	48	49.9 Å²	49.9	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-52.3	-37.2	169.4	-66.9	166.5	0	0	0	111.2	L147 I180 L181 K185 S186 F187	L147-I183 HydrophobicContact CD2-CB 4.49Å; L147-I183 HydrophobicContact CD2-CG2 3.82Å; L147-I183 HydrophobicContact CG-CG2 4.04Å; I180-I183 HydrophobicContact CG2-CD1 3.73Å; I180-I183 WeakPolarHBondContact O-CD1 3.36Å; I180-I183 VanDerWaalsContact O-CG1 3.28Å; I180-I183 WeakPolarHBondContact O-CG1 3.46Å; I180-I183 PolarHBondContact O-N 3.22Å; I180-I183 VanDerWaalsContact O-N 3.11Å; L181-I183 PolarHBondContact O-N 3.49Å; I183-K185 PolarHBondContact O-N 2.68Å; I183-K185 VanDerWaalsContact O-N 3.17Å; I183-S186 PolarHBondContact O-N 3.2Å; I183-S186 VanDerWaalsContact O-N 3.09Å; I183-F187 PolarHBondContact O-N 3.06Å
184	Y	94.8	Very high	89.6	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-29.1	176	-85.5	-82	0	0	0	113.5	L147 L150 H151 L181 N182 S186 F187 L188 V236 A239 L240	L147-Y184 HydrophobicContact CD2-CD1 4.27Å; L147-Y184 HydrophobicContact CD2-CD2 4.05Å; L147-Y184 HydrophobicContact CD2-CE1 4.23Å; L147-Y184 HydrophobicContact CD2-CE2 4.01Å; L147-Y184 HydrophobicContact CD2-CG 4.21Å; L150-Y184 HydrophobicContact CD2-CD2 4.38Å; L150-Y184 HydrophobicContact CD2-CE2 4.16Å; H151-Y184 PolarHBondContact CE1-OH 3.28Å; H151-Y184 VanDerWaalsContact CE1-OH 3.26Å; H151-Y184 AromaticContact NE2-CE2 3.98Å; H151-Y184 AromaticContact NE2-CZ 3.69Å; H151-Y184 PolarHBondContact NE2-OH 2.95Å; L181-Y184 WeakPolarHBondContact O-CB 3.35Å; L181-Y184 PolarHBondContact O-N 2.89Å; N182-Y184 PolarHBondContact O-N 3.24Å; Y184-S186 VanDerWaalsContact C-N 3.32Å; Y184-S186 PolarHBondContact O-N 2.81Å; Y184-F187 HydrophobicContact CD1-CD1 4.32Å; Y184-F187 PolarHBondContact O-N 3.41Å; Y184-L188 WeakPolarHBondContact O-CB 3.2Å; Y184-L188 WeakPolarHBondContact O-CG 3.28Å; Y184-L188 PolarHBondContact O-N 2.97Å; Y184-V236 HydrophobicContact CE1-CG1 4.38Å; Y184-A239 HydrophobicContact CE1-CB 4.16Å; Y184-A239 VanDerWaalsContact OH-CB 3.31Å; Y184-A239 WeakPolarHBondContact OH-CB 3.33Å; Y184-L240 VanDerWaalsContact CB-CD1 3.49Å; Y184-L240 HydrophobicContact CD1-CD1 4.12Å; Y184-L240 HydrophobicContact CD1-CG 3.98Å; Y184-L240 HydrophobicContact CD2-CD1 3.78Å; Y184-L240 HydrophobicContact CD2-CD2 3.78Å; Y184-L240 HydrophobicContact CD2-CG 3.72Å; Y184-L240 HydrophobicContact CE1-CG 4.16Å; Y184-L240 HydrophobicContact CE2-CD1 4.47Å; Y184-L240 HydrophobicContact CE2-CD2 3.74Å; Y184-L240 HydrophobicContact CE2-CG 3.9Å; Y184-L240 HydrophobicContact CG-CD1 3.56Å; Y184-L240 HydrophobicContact CG-CD2 4.32Å; Y184-L240 HydrophobicContact CG-CG 3.74Å
185	K	92	Very high	90.2	Very high	55 Å²	55	50.5 Å²	50.5	24%	0.239	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-42.8	176.9	-178	173.3	174.9	176.1	0	111.1	N182 I183 C189 L274 R277 E281	N182-K185 WeakPolarHBondContact O-CB 3.49Å; N182-K185 PolarHBondContact O-N 3.01Å; I183-K185 PolarHBondContact O-N 2.68Å; I183-K185 VanDerWaalsContact O-N 3.17Å; K185-C189 PolarHBondContact O-N 3.27Å; K185-C189 PolarHBondContact O-SG 3.17Å; K185-L274 HydrophobicContact CB-CD1 4.33Å; K185-R277 WeakPolarHBondContact CE-O 3.28Å; K185-R277 PolarHBondContact NZ-O 3.32Å; K185-E281 WeakPolarHBondContact CE-OE2 3.33Å; K185-E281 IonicContact NZ-OE2 3.74Å; K185-E281 PolarHBondContact NZ-OE2 3.4Å
186	S	92.3	Very high	90.8	Very high	39 Å²	39	53.6 Å²	53.6	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-49	174.9	179.1	0	0	0	0	110.7	D143 I183 Y184 L188 C189 R190	D143-S186 VanDerWaalsContact CG-OG 3.26Å; D143-S186 PolarHBondContact OD1-OG 2.82Å; D143-S186 VanDerWaalsContact OD2-CB 3.24Å; D143-S186 WeakPolarHBondContact OD2-CB 3.25Å; D143-S186 PolarHBondContact OD2-OG 3.26Å; I183-S186 PolarHBondContact O-N 3.2Å; I183-S186 VanDerWaalsContact O-N 3.09Å; Y184-S186 VanDerWaalsContact C-N 3.32Å; Y184-S186 PolarHBondContact O-N 2.81Å; S186-L188 PolarHBondContact O-N 2.92Å; S186-C189 PolarHBondContact O-N 3.22Å; S186-R190 WeakPolarHBondContact O-CG 3.34Å; S186-R190 PolarHBondContact O-N 3.5Å; S186-R190 PolarHBondContact OG-NE 3.2Å; S186-R190 PolarHBondContact OG-NH2 3.25Å
187	F	96.1	Very high	91.5	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-46.5	-177.9	172.1	-101.2	0	0	0	112.5	D143 I144 L147 I183 Y184 C189 R190 Y191 F233 V236	D143-F187 HydrophobicContact CB-CB 4.11Å; D143-F187 WeakPolarHBondContact OD2-CA 3.31Å; D143-F187 PolarHBondContact OD2-N 2.89Å; D143-F187 VanDerWaalsContact OD2-N 3.09Å; I144-F187 HydrophobicContact CD1-CD2 4.42Å; I144-F187 HydrophobicContact CD1-CE2 3.91Å; L147-F187 HydrophobicContact CD1-CB 3.94Å; L147-F187 HydrophobicContact CD1-CD1 4.15Å; L147-F187 HydrophobicContact CD1-CD2 3.77Å; L147-F187 HydrophobicContact CD1-CE2 4.35Å; L147-F187 HydrophobicContact CD1-CG 3.66Å; I183-F187 PolarHBondContact O-N 3.06Å; Y184-F187 HydrophobicContact CD1-CD1 4.32Å; Y184-F187 PolarHBondContact O-N 3.41Å; F187-C189 VanDerWaalsContact C-N 3.34Å; F187-C189 PolarHBondContact O-N 3.26Å; F187-R190 PolarHBondContact O-N 2.66Å; F187-Y191 HydrophobicContact CZ-CD2 4.24Å; F187-Y191 VanDerWaalsContact O-CB 3.26Å; F187-Y191 WeakPolarHBondContact O-CB 3.39Å; F187-Y191 PolarHBondContact O-N 3Å; F187-F233 AromaticContact CE2-CD1 3.96Å; F187-F233 HydrophobicContact CE2-CD1 3.96Å; F187-F233 HydrophobicContact CE2-CE1 4.17Å; F187-F233 HydrophobicContact CZ-CD1 4.08Å; F187-V236 HydrophobicContact CD1-CG1 4.26Å; F187-V236 HydrophobicContact CE1-CB 4.06Å; F187-V236 HydrophobicContact CE1-CG1 3.61Å; F187-V236 HydrophobicContact CE2-CG1 4.4Å; F187-V236 HydrophobicContact CZ-CB 3.92Å; F187-V236 HydrophobicContact CZ-CG1 3.69Å
188	L	96.2	Very high	92.3	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-37.9	179.9	-68.8	171.1	0	0	0	111.9	Y184 S186 A192 L275 I282	Y184-L188 WeakPolarHBondContact O-CB 3.2Å; Y184-L188 WeakPolarHBondContact O-CG 3.28Å; Y184-L188 PolarHBondContact O-N 2.97Å; S186-L188 PolarHBondContact O-N 2.92Å; L188-A192 WeakPolarHBondContact O-CB 3.43Å; L188-A192 PolarHBondContact O-N 2.83Å; L188-L275 HydrophobicContact CD1-CD2 4.35Å; L188-I282 HydrophobicContact CB-CD1 4.38Å
189	C	91.9	Very high	92.8	Very high	11 Å²	11	47 Å²	47	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-44.6	173.1	-62.8	0	0	0	0	111.8	K185 S186 F187 A192 V193 E281	K185-C189 PolarHBondContact O-N 3.27Å; K185-C189 PolarHBondContact O-SG 3.17Å; S186-C189 PolarHBondContact O-N 3.22Å; F187-C189 VanDerWaalsContact C-N 3.34Å; F187-C189 PolarHBondContact O-N 3.26Å; C189-A192 PolarHBondContact O-N 3.36Å; C189-V193 WeakPolarHBondContact O-CG2 3.46Å; C189-V193 PolarHBondContact O-N 3.25Å; C189-E281 WeakPolarHBondContact SG-CG 3.24Å
190	R	93.1	Very high	93.2	Very high	73 Å²	73	46.5 Å²	46.5	28%	0.275	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-43.3	176.5	-68.5	-172.6	-155.3	-56.2	-22	111.9	G139 D143 S186 F187 V193 N194	G139-R190 WeakPolarHBondContact O-CB 3.4Å; G139-R190 WeakPolarHBondContact O-CD 3.24Å; D143-R190 VanDerWaalsContact CG-NE 3.32Å; D143-R190 IonicContact OD1-CZ 2.67Å; D143-R190 IonicContact OD1-NE 3.59Å; D143-R190 PolarHBondContact OD1-NE 3.37Å; D143-R190 IonicContact OD1-NH2 2.88Å; D143-R190 VanDerWaalsContact OD2-CD 3.24Å; D143-R190 WeakPolarHBondContact OD2-CD 3.5Å; D143-R190 IonicContact OD2-CZ 3.21Å; D143-R190 IonicContact OD2-NE 2.72Å; D143-R190 PolarHBondContact OD2-NE 3.04Å; S186-R190 WeakPolarHBondContact O-CG 3.34Å; S186-R190 PolarHBondContact O-N 3.5Å; S186-R190 PolarHBondContact OG-NE 3.2Å; S186-R190 PolarHBondContact OG-NH2 3.25Å; F187-R190 PolarHBondContact O-N 2.66Å; R190-V193 PolarHBondContact O-N 3.34Å; R190-N194 WeakPolarHBondContact O-CB 3.47Å; R190-N194 PolarHBondContact O-N 2.91Å; R190-N194 PolarHBondContact O-ND2 2.85Å
191	Y	95.6	Very high	93.5	Very high	32 Å²	32	44.3 Å²	44.3	13%	0.125	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-52.5	176.8	179	-88.9	0	0	0	110.7	M140 F187 V193 N194 F195 F233	M140-Y191 HydrophobicContact CE-CD2 4.02Å; F187-Y191 HydrophobicContact CZ-CD2 4.24Å; F187-Y191 VanDerWaalsContact O-CB 3.26Å; F187-Y191 WeakPolarHBondContact O-CB 3.39Å; F187-Y191 PolarHBondContact O-N 3Å; Y191-V193 VanDerWaalsContact C-N 3.29Å; Y191-V193 PolarHBondContact O-N 3.23Å; Y191-N194 PolarHBondContact O-N 3.44Å; Y191-F195 HydrophobicContact CD1-CB 4.44Å; Y191-F195 HydrophobicContact CD2-CB 4.15Å; Y191-F195 HydrophobicContact CD2-CD2 4.04Å; Y191-F195 HydrophobicContact CD2-CG 4.28Å; Y191-F195 HydrophobicContact CE1-CB 4.32Å; Y191-F195 HydrophobicContact CE1-CD1 4.46Å; Y191-F195 HydrophobicContact CE1-CG 4.25Å; Y191-F195 HydrophobicContact CE2-CB 4.04Å; Y191-F195 HydrophobicContact CE2-CD1 4.4Å; Y191-F195 AromaticContact CE2-CD2 3.33Å; Y191-F195 HydrophobicContact CE2-CD2 3.33Å; Y191-F195 AromaticContact CE2-CE2 3.8Å; Y191-F195 HydrophobicContact CE2-CE2 3.8Å; Y191-F195 AromaticContact CE2-CG 3.67Å; Y191-F195 HydrophobicContact CE2-CG 3.67Å; Y191-F195 HydrophobicContact CG-CB 4.34Å; Y191-F195 AromaticContact CZ-CD1 3.94Å; Y191-F195 AromaticContact CZ-CD2 3.7Å; Y191-F195 AromaticContact CZ-CG 3.63Å; Y191-F195 WeakPolarHBondContact O-CB 3.41Å; Y191-F195 PolarHBondContact O-N 2.9Å; Y191-F233 HydrophobicContact CD2-CB 4.36Å; Y191-F233 HydrophobicContact CE2-CB 4Å
192	A	93	Very high	93.7	Very high	52 Å²	52	45.1 Å²	45.1	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-56.3	-40.6	179.6	0	0	0	0	0	113.1	L188 C189 I282	L188-A192 WeakPolarHBondContact O-CB 3.43Å; L188-A192 PolarHBondContact O-N 2.83Å; C189-A192 PolarHBondContact O-N 3.36Å; A192-I282 HydrophobicContact CB-CD1 4.01Å; A192-I282 HydrophobicContact CB-CG1 4.06Å; A192-I282 HydrophobicContact CB-CG2 3.8Å
193	V	90.2	Very high	93.8	Very high	98 Å²	98	46.3 Å²	46.3	59%	0.594	25%	0.251	S	S	*	.	H	α-helix	trans	-77.6	-39.6	-179.8	174.5	0	0	0	0	113.1	C189 R190 Y191	C189-V193 WeakPolarHBondContact O-CG2 3.46Å; C189-V193 PolarHBondContact O-N 3.25Å; R190-V193 PolarHBondContact O-N 3.34Å; Y191-V193 VanDerWaalsContact C-N 3.29Å; Y191-V193 PolarHBondContact O-N 3.23Å
194	N	93.5	Very high	93.9	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.16	27%	0.274	C	S	.	.	H	α-helix	trans	-105	-20.1	-166.4	-63.3	-88.4	0	0	0	114.5	V136 M140 R190 Y191 K196 A197 F198	V136-N194 HydrophobicContact CG1-CB 4.28Å; M140-N194 HydrophobicContact CG-CB 3.86Å; M140-N194 HydrophobicContact SD-CB 3.66Å; R190-N194 WeakPolarHBondContact O-CB 3.47Å; R190-N194 PolarHBondContact O-N 2.91Å; R190-N194 PolarHBondContact O-ND2 2.85Å; Y191-N194 PolarHBondContact O-N 3.44Å; N194-K196 PolarHBondContact O-N 2.88Å; N194-A197 PolarHBondContact O-N 3.34Å; N194-F198 WeakPolarHBondContact O-CB 3.26Å; N194-F198 PolarHBondContact O-N 3.44Å
195	F	95.4	Very high	93.9	Very high	52 Å²	52	51.8 Å²	51.8	23%	0.228	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-39.5	-168.7	177.3	-106.1	0	0	0	113.8	M140 Y191 F198 S199 P230 F233	M140-F195 HydrophobicContact CE-CB 4.35Å; M140-F195 HydrophobicContact CE-CD2 3.95Å; M140-F195 HydrophobicContact SD-CB 4.31Å; Y191-F195 HydrophobicContact CD1-CB 4.44Å; Y191-F195 HydrophobicContact CD2-CB 4.15Å; Y191-F195 HydrophobicContact CD2-CD2 4.04Å; Y191-F195 HydrophobicContact CD2-CG 4.28Å; Y191-F195 HydrophobicContact CE1-CB 4.32Å; Y191-F195 HydrophobicContact CE1-CD1 4.46Å; Y191-F195 HydrophobicContact CE1-CG 4.25Å; Y191-F195 HydrophobicContact CE2-CB 4.04Å; Y191-F195 HydrophobicContact CE2-CD1 4.4Å; Y191-F195 AromaticContact CE2-CD2 3.33Å; Y191-F195 HydrophobicContact CE2-CD2 3.33Å; Y191-F195 AromaticContact CE2-CE2 3.8Å; Y191-F195 HydrophobicContact CE2-CE2 3.8Å; Y191-F195 AromaticContact CE2-CG 3.67Å; Y191-F195 HydrophobicContact CE2-CG 3.67Å; Y191-F195 HydrophobicContact CG-CB 4.34Å; Y191-F195 AromaticContact CZ-CD1 3.94Å; Y191-F195 AromaticContact CZ-CD2 3.7Å; Y191-F195 AromaticContact CZ-CG 3.63Å; Y191-F195 WeakPolarHBondContact O-CB 3.41Å; Y191-F195 PolarHBondContact O-N 2.9Å; F195-F198 PolarHBondContact O-N 2.98Å; F195-S199 WeakPolarHBondContact O-CB 3.16Å; F195-S199 PolarHBondContact O-N 3.32Å; F195-P230 HydrophobicContact CE2-CB 4.09Å; F195-P230 WeakPolarHBondContact CE2-O 3.31Å; F195-P230 HydrophobicContact CZ-CB 4.34Å; F195-F233 HydrophobicContact CE2-CB 4.38Å
196	K	94.3	Very high	93.9	Very high	151 Å²	151	55.6 Å²	55.6	66%	0.657	30%	0.304	S	S	*	.	H	α-helix	trans	-61.3	-55.7	178.1	-179.5	176.5	172.8	-179.9	0	111.5	N194 F198 S199 E200	N194-K196 PolarHBondContact O-N 2.88Å; K196-F198 VanDerWaalsContact C-N 3.26Å; K196-F198 PolarHBondContact O-N 3.16Å; K196-S199 PolarHBondContact O-N 3.13Å; K196-S199 VanDerWaalsContact O-N 3.11Å; K196-E200 WeakPolarHBondContact CE-OE1 3.4Å; K196-E200 WeakPolarHBondContact CG-OE1 3.33Å; K196-E200 IonicContact NZ-OE1 3.95Å; K196-E200 WeakPolarHBondContact O-CG 3.21Å; K196-E200 PolarHBondContact O-N 3.45Å
197	A	94.2	Very high	94	Very high	41 Å²	41	58 Å²	58	34%	0.339	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-34.9	178.2	0	0	0	0	0	112	V136 N194 M201	V136-A197 HydrophobicContact CG1-CB 3.94Å; V136-A197 HydrophobicContact CG2-CB 4.23Å; N194-A197 PolarHBondContact O-N 3.34Å; A197-M201 VanDerWaalsContact O-CB 3.23Å; A197-M201 WeakPolarHBondContact O-CB 3.21Å; A197-M201 PolarHBondContact O-N 2.81Å
198	F	95.7	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-42.5	173.5	179.2	-100	0	0	0	112.6	V136 M140 F141 N194 F195 K196 M201 Y202 L208 V229 P230 F233	V136-F198 HydrophobicContact CG1-CB 3.93Å; M140-F198 HydrophobicContact CB-CD2 4.35Å; M140-F198 HydrophobicContact CE-CD1 4.19Å; M140-F198 HydrophobicContact CE-CG 4.4Å; M140-F198 HydrophobicContact CG-CB 3.7Å; M140-F198 HydrophobicContact CG-CD1 4.41Å; M140-F198 HydrophobicContact CG-CD2 3.93Å; M140-F198 HydrophobicContact CG-CG 3.74Å; M140-F198 HydrophobicContact SD-CB 4.28Å; F141-F198 AromaticContact CE2-CE2 3.83Å; F141-F198 HydrophobicContact CE2-CE2 3.83Å; F141-F198 HydrophobicContact CE2-CZ 4.07Å; F141-F198 HydrophobicContact CZ-CE2 4.43Å; F141-F198 HydrophobicContact CZ-CZ 4.22Å; N194-F198 WeakPolarHBondContact O-CB 3.26Å; N194-F198 PolarHBondContact O-N 3.44Å; F195-F198 PolarHBondContact O-N 2.98Å; K196-F198 VanDerWaalsContact C-N 3.26Å; K196-F198 PolarHBondContact O-N 3.16Å; F198-M201 HydrophobicContact CD2-CE 3.83Å; F198-M201 PolarHBondContact O-N 2.84Å; F198-Y202 VanDerWaalsContact O-CB 3.27Å; F198-Y202 WeakPolarHBondContact O-CB 3.42Å; F198-Y202 PolarHBondContact O-N 3.02Å; F198-L208 HydrophobicContact CE2-CD2 4.39Å; F198-V229 HydrophobicContact CE1-CG1 4.02Å; F198-V229 HydrophobicContact CZ-CG1 3.84Å; F198-P230 HydrophobicContact CE1-CG 4.16Å; F198-F233 HydrophobicContact CD1-CD2 4.35Å; F198-F233 HydrophobicContact CD1-CE2 4.41Å; F198-F233 AromaticContact CE1-CD2 3.76Å; F198-F233 HydrophobicContact CE1-CD2 3.76Å; F198-F233 AromaticContact CE1-CE2 3.71Å; F198-F233 HydrophobicContact CE1-CE2 3.71Å; F198-F233 HydrophobicContact CZ-CD2 4.31Å; F198-F233 AromaticContact CZ-CE2 3.79Å; F198-F233 HydrophobicContact CZ-CE2 3.79Å
199	S	95.4	Very high	93.7	Very high	39 Å²	39	59 Å²	59	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-68.1	-38	178.4	-167.3	0	0	0	0	112	F195 K196 S203	F195-S199 WeakPolarHBondContact O-CB 3.16Å; F195-S199 PolarHBondContact O-N 3.32Å; K196-S199 PolarHBondContact O-N 3.13Å; K196-S199 VanDerWaalsContact O-N 3.11Å; S199-S203 WeakPolarHBondContact O-CB 3.41Å; S199-S203 PolarHBondContact O-N 3.07Å; S199-S203 PolarHBondContact O-OG 2.9Å
200	E	94.7	Very high	93.8	Very high	105 Å²	105	62.1 Å²	62.1	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-44.6	174.5	-70.8	166.1	-179.9	0	0	111.5	K196 S203 T204	K196-E200 WeakPolarHBondContact CE-OE1 3.4Å; K196-E200 WeakPolarHBondContact CG-OE1 3.33Å; K196-E200 IonicContact NZ-OE1 3.95Å; K196-E200 WeakPolarHBondContact O-CG 3.21Å; K196-E200 PolarHBondContact O-N 3.45Å; E200-S203 PolarHBondContact O-N 3.32Å; E200-T204 PolarHBondContact O-N 3.38Å; E200-T204 PolarHBondContact O-OG1 3.32Å
201	M	93	Very high	93.8	Very high	26 Å²	26	60 Å²	60	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-43.4	173.3	175.4	173	49.1	0	0	112.7	N134 V136 I137 A197 F198 S203 T204 N205 L208	N134-M201 PolarHBondContact ND2-SD 3.28Å; V136-M201 HydrophobicContact CB-CE 3.87Å; V136-M201 HydrophobicContact CG1-CE 3.77Å; I137-M201 HydrophobicContact CD1-CE 4.27Å; I137-M201 HydrophobicContact CD1-SD 4.15Å; I137-M201 HydrophobicContact CG1-CE 3.49Å; I137-M201 VanDerWaalsContact CG1-CE 3.49Å; I137-M201 HydrophobicContact CG1-SD 3.96Å; A197-M201 VanDerWaalsContact O-CB 3.23Å; A197-M201 WeakPolarHBondContact O-CB 3.21Å; A197-M201 PolarHBondContact O-N 2.81Å; F198-M201 HydrophobicContact CD2-CE 3.83Å; F198-M201 PolarHBondContact O-N 2.84Å; M201-S203 VanDerWaalsContact C-N 3.25Å; M201-S203 PolarHBondContact O-N 2.98Å; M201-T204 WeakPolarHBondContact CA-OG1 3.42Å; M201-T204 PolarHBondContact O-N 3.43Å; M201-T204 VanDerWaalsContact O-N 3.16Å; M201-T204 PolarHBondContact O-OG1 3.47Å; M201-N205 VanDerWaalsContact O-CB 3.27Å; M201-N205 WeakPolarHBondContact O-CB 3.21Å; M201-N205 PolarHBondContact O-N 3.08Å; M201-L208 HydrophobicContact CG-CD2 4.38Å
202	Y	94.1	Very high	93.7	Very high	21 Å²	21	58.4 Å²	58.4	8%	0.082	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-34.9	176.2	-179.5	-93.7	0	0	0	111.7	F198 T204 L208 Q209 C212 N228 V229 P230	F198-Y202 VanDerWaalsContact O-CB 3.27Å; F198-Y202 WeakPolarHBondContact O-CB 3.42Å; F198-Y202 PolarHBondContact O-N 3.02Å; Y202-T204 VanDerWaalsContact C-N 3.26Å; Y202-T204 PolarHBondContact O-N 3.33Å; Y202-L208 HydrophobicContact CD2-CD2 4.3Å; Y202-L208 HydrophobicContact CD2-CG 4.22Å; Y202-Q209 HydrophobicContact CE1-CG 4.37Å; Y202-Q209 HydrophobicContact CE2-CG 4.25Å; Y202-Q209 WeakPolarHBondContact O-CG 3.17Å; Y202-Q209 PolarHBondContact O-NE2 3.14Å; Y202-C212 HydrophobicContact CE2-CB 3.85Å; Y202-N228 HydrophobicContact CE1-CB 4.04Å; Y202-V229 HydrophobicContact CE2-CB 4.17Å; Y202-P230 HydrophobicContact CD1-CG 3.56Å; Y202-P230 HydrophobicContact CD2-CG 4.46Å; Y202-P230 HydrophobicContact CE1-CG 4.09Å; Y202-P230 HydrophobicContact CG-CG 3.77Å
203	S	93.4	Very high	93.7	Very high	78 Å²	78	60.7 Å²	60.7	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-71.7	-18.7	177.6	-56	0	0	0	0	113.5	S199 E200 M201	S199-S203 WeakPolarHBondContact O-CB 3.41Å; S199-S203 PolarHBondContact O-N 3.07Å; S199-S203 PolarHBondContact O-OG 2.9Å; E200-S203 PolarHBondContact O-N 3.32Å; M201-S203 VanDerWaalsContact C-N 3.25Å; M201-S203 PolarHBondContact O-N 2.98Å
204	T	94.3	Very high	93.8	Very high	119 Å²	119	57.8 Å²	57.8	73%	0.73	31%	0.309	S	S	*	.	H	α-helix	trans	-114.4	-24.4	-173.6	47.2	0	0	0	0	114.5	E200 M201 Y202	E200-T204 PolarHBondContact O-N 3.38Å; E200-T204 PolarHBondContact O-OG1 3.32Å; M201-T204 WeakPolarHBondContact CA-OG1 3.42Å; M201-T204 PolarHBondContact O-N 3.43Å; M201-T204 VanDerWaalsContact O-N 3.16Å; M201-T204 PolarHBondContact O-OG1 3.47Å; Y202-T204 VanDerWaalsContact C-N 3.26Å; Y202-T204 PolarHBondContact O-N 3.33Å
205	N	93.1	Very high	93.7	Very high	45 Å²	45	57.1 Å²	57.1	24%	0.241	31%	0.305	C	S	.	.			trans	-95.8	106.3	-177.6	-174	-44.3	0	0	0	111.6	L131 M201 E207 L208 Q209	L131-N205 WeakPolarHBondContact CD2-ND2 3.44Å; M201-N205 VanDerWaalsContact O-CB 3.27Å; M201-N205 WeakPolarHBondContact O-CB 3.21Å; M201-N205 PolarHBondContact O-N 3.08Å; N205-E207 WeakPolarHBondContact OD1-CB 3.45Å; N205-E207 PolarHBondContact OD1-N 3.1Å; N205-E207 VanDerWaalsContact OD1-N 3.14Å; N205-L208 HydrophobicContact CB-CB 4.1Å; N205-L208 WeakPolarHBondContact OD1-CB 3.34Å; N205-L208 PolarHBondContact OD1-N 2.88Å; N205-Q209 WeakPolarHBondContact O-CG 3.31Å; N205-Q209 PolarHBondContact O-N 2.99Å; N205-Q209 VanDerWaalsContact O-N 3.09Å
206	E	93.5	Very high	93.6	Very high	135 Å²	135	55.1 Å²	55.1	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-69.1	-36.2	-177.7	-160.7	-170.4	153.7	0	0	113.4	Q209 N210	E206-Q209 PolarHBondContact O-N 3.36Å; E206-N210 WeakPolarHBondContact O-CB 3.4Å; E206-N210 VanDerWaalsContact O-CG 3.22Å; E206-N210 PolarHBondContact O-N 2.85Å; E206-N210 PolarHBondContact O-ND2 3.44Å; E206-N210 PolarHBondContact OE1-ND2 2.93Å
207	E	93.1	Very high	93.4	Very high	90 Å²	90	51 Å²	51	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-50.7	176.6	178.6	177.9	-134.2	0	0	110.6	V128 S130 L131 N205 Q209 N210 I211	V128-E207 HydrophobicContact CG1-CG 4.46Å; S130-E207 WeakPolarHBondContact CB-OE2 3.39Å; S130-E207 PolarHBondContact OG-OE1 3.41Å; S130-E207 PolarHBondContact OG-OE2 2.95Å; L131-E207 HydrophobicContact CD1-CG 4.43Å; N205-E207 WeakPolarHBondContact OD1-CB 3.45Å; N205-E207 PolarHBondContact OD1-N 3.1Å; N205-E207 VanDerWaalsContact OD1-N 3.14Å; E207-Q209 PolarHBondContact O-N 2.66Å; E207-N210 PolarHBondContact O-N 3.25Å; E207-I211 HydrophobicContact CG-CD1 4.16Å; E207-I211 WeakPolarHBondContact O-CD1 3.48Å; E207-I211 WeakPolarHBondContact O-CG1 3.28Å; E207-I211 PolarHBondContact O-N 3.36Å
208	L	93.1	Very high	93.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-43.9	174.5	177.3	61.2	0	0	0	111.6	V125 L131 I137 F198 M201 Y202 N205 N210 C212	V125-L208 HydrophobicContact CG2-CD1 3.93Å; L131-L208 HydrophobicContact CD1-CB 4.18Å; L131-L208 HydrophobicContact CD1-CD1 4.25Å; L131-L208 HydrophobicContact CD2-CB 4.42Å; I137-L208 HydrophobicContact CD1-CD2 4.45Å; F198-L208 HydrophobicContact CE2-CD2 4.39Å; M201-L208 HydrophobicContact CG-CD2 4.38Å; Y202-L208 HydrophobicContact CD2-CD2 4.3Å; Y202-L208 HydrophobicContact CD2-CG 4.22Å; N205-L208 HydrophobicContact CB-CB 4.1Å; N205-L208 WeakPolarHBondContact OD1-CB 3.34Å; N205-L208 PolarHBondContact OD1-N 2.88Å; L208-N210 VanDerWaalsContact C-N 3.35Å; L208-N210 PolarHBondContact O-N 3.17Å; L208-C212 WeakPolarHBondContact O-CB 3.31Å; L208-C212 PolarHBondContact O-N 3.17Å; L208-C212 PolarHBondContact O-SG 3.28Å
209	Q	93.6	Very high	92.7	Very high	41 Å²	41	57 Å²	57	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-42.9	176.5	-77.4	-172.3	29.9	0	0	112.6	Y202 N205 E206 E207 C212 K213	Y202-Q209 HydrophobicContact CE1-CG 4.37Å; Y202-Q209 HydrophobicContact CE2-CG 4.25Å; Y202-Q209 WeakPolarHBondContact O-CG 3.17Å; Y202-Q209 PolarHBondContact O-NE2 3.14Å; N205-Q209 WeakPolarHBondContact O-CG 3.31Å; N205-Q209 PolarHBondContact O-N 2.99Å; N205-Q209 VanDerWaalsContact O-N 3.09Å; E206-Q209 PolarHBondContact O-N 3.36Å; E207-Q209 PolarHBondContact O-N 2.66Å; Q209-C212 PolarHBondContact O-N 2.93Å; Q209-K213 WeakPolarHBondContact O-CB 3.44Å; Q209-K213 WeakPolarHBondContact O-CD 3.22Å; Q209-K213 WeakPolarHBondContact O-CG 3.4Å; Q209-K213 PolarHBondContact O-N 3.13Å
210	N	93.4	Very high	92.1	Very high	76 Å²	76	61.5 Å²	61.5	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-72.2	-38.3	-174.9	-69.5	-14.2	0	0	0	111.4	E206 E207 L208 K213 G214	E206-N210 WeakPolarHBondContact O-CB 3.4Å; E206-N210 VanDerWaalsContact O-CG 3.22Å; E206-N210 PolarHBondContact O-N 2.85Å; E206-N210 PolarHBondContact O-ND2 3.44Å; E206-N210 PolarHBondContact OE1-ND2 2.93Å; E207-N210 PolarHBondContact O-N 3.25Å; L208-N210 VanDerWaalsContact C-N 3.35Å; L208-N210 PolarHBondContact O-N 3.17Å; N210-K213 PolarHBondContact OD1-NZ 3Å; N210-G214 PolarHBondContact O-N 2.91Å
211	I	93.1	Very high	91.6	Very high	28 Å²	28	59.3 Å²	59.3	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-55.7	-52.5	167.1	-67.5	160.7	0	0	0	110.4	E124 V125 V128 L131 E207 K213 G214 I215	E124-I211 HydrophobicContact CB-CG2 4.15Å; E124-I211 HydrophobicContact CG-CG2 3.77Å; V125-I211 HydrophobicContact CG2-CG2 4.11Å; V128-I211 HydrophobicContact CG2-CD1 3.92Å; L131-I211 HydrophobicContact CD1-CD1 3.74Å; E207-I211 HydrophobicContact CG-CD1 4.16Å; E207-I211 WeakPolarHBondContact O-CD1 3.48Å; E207-I211 WeakPolarHBondContact O-CG1 3.28Å; E207-I211 PolarHBondContact O-N 3.36Å; I211-K213 PolarHBondContact O-N 3.43Å; I211-G214 PolarHBondContact O-N 3.3Å; I211-I215 HydrophobicContact CG2-CD1 3.98Å; I211-I215 WeakPolarHBondContact O-CG1 3.37Å; I211-I215 PolarHBondContact O-N 2.69Å; I211-I215 VanDerWaalsContact O-N 3.14Å
212	C	93.5	Very high	91.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-47.1	-178.3	-67.1	0	0	0	0	112.3	Y202 L208 Q209 G214 I215 V216 V229	Y202-C212 HydrophobicContact CE2-CB 3.85Å; L208-C212 WeakPolarHBondContact O-CB 3.31Å; L208-C212 PolarHBondContact O-N 3.17Å; L208-C212 PolarHBondContact O-SG 3.28Å; Q209-C212 PolarHBondContact O-N 2.93Å; C212-G214 VanDerWaalsContact C-N 3.35Å; C212-G214 PolarHBondContact O-N 3.09Å; C212-I215 PolarHBondContact O-N 2.97Å; C212-V216 WeakPolarHBondContact O-CB 3.38Å; C212-V216 WeakPolarHBondContact O-CG2 3.36Å; C212-V216 PolarHBondContact O-N 3.13Å; C212-V229 HydrophobicContact CB-CB 4.49Å; C212-V229 HydrophobicContact CB-CG2 3.73Å
213	K	92.6	Very high	90.4	Very high	99 Å²	99	67.4 Å²	67.4	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-44.8	177.7	-70.5	161.5	-168	162.5	0	111.2	Q209 N210 I211 I215 V216 A217	Q209-K213 WeakPolarHBondContact O-CB 3.44Å; Q209-K213 WeakPolarHBondContact O-CD 3.22Å; Q209-K213 WeakPolarHBondContact O-CG 3.4Å; Q209-K213 PolarHBondContact O-N 3.13Å; N210-K213 PolarHBondContact OD1-NZ 3Å; I211-K213 PolarHBondContact O-N 3.43Å; K213-I215 VanDerWaalsContact C-N 3.27Å; K213-I215 PolarHBondContact O-N 3.23Å; K213-V216 PolarHBondContact O-N 2.9Å; K213-A217 VanDerWaalsContact O-CB 3.31Å; K213-A217 WeakPolarHBondContact O-CB 3.4Å; K213-A217 PolarHBondContact O-N 3.18Å
214	G	92.2	Very high	89.9	Confident	37 Å²	37	63.8 Å²	63.8	38%	0.381	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-24.2	-179.8	0	0	0	0	0	114.6	N210 I211 C212 K218	N210-G214 PolarHBondContact O-N 2.91Å; I211-G214 PolarHBondContact O-N 3.3Å; C212-G214 VanDerWaalsContact C-N 3.35Å; C212-G214 PolarHBondContact O-N 3.09Å; G214-K218 WeakPolarHBondContact O-CE 3.33Å
215	I	93	Very high	89.4	Confident	17 Å²	17	63.1 Å²	63.1	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-88.9	-47.3	174.2	-63.4	169.5	0	0	0	110.6	I117 D120 V121 E124 I211 C212 K213 A217 K218	I117-I215 HydrophobicContact CG2-CG2 4.27Å; D120-I215 HydrophobicContact CB-CG2 3.69Å; V121-I215 HydrophobicContact CB-CD1 4.4Å; V121-I215 HydrophobicContact CG2-CB 4.11Å; V121-I215 HydrophobicContact CG2-CD1 3.86Å; V121-I215 HydrophobicContact CG2-CG2 4.07Å; E124-I215 HydrophobicContact CB-CD1 3.91Å; E124-I215 HydrophobicContact CG-CD1 4.33Å; I211-I215 HydrophobicContact CG2-CD1 3.98Å; I211-I215 WeakPolarHBondContact O-CG1 3.37Å; I211-I215 PolarHBondContact O-N 2.69Å; I211-I215 VanDerWaalsContact O-N 3.14Å; C212-I215 PolarHBondContact O-N 2.97Å; K213-I215 VanDerWaalsContact C-N 3.27Å; K213-I215 PolarHBondContact O-N 3.23Å; I215-A217 VanDerWaalsContact C-N 3.26Å; I215-A217 PolarHBondContact O-N 3.03Å; I215-K218 WeakPolarHBondContact O-CB 3.11Å; I215-K218 PolarHBondContact O-N 3.18Å
216	V	92.4	Very high	88.9	Confident	10 Å²	10	68.1 Å²	68.1	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-55.5	-40.3	177.7	167.8	0	0	0	0	111.7	I117 C212 K213 K218 S219 Q224 V229 M232	I117-V216 HydrophobicContact CG2-CG2 3.86Å; C212-V216 WeakPolarHBondContact O-CB 3.38Å; C212-V216 WeakPolarHBondContact O-CG2 3.36Å; C212-V216 PolarHBondContact O-N 3.13Å; K213-V216 PolarHBondContact O-N 2.9Å; V216-K218 PolarHBondContact O-N 3.02Å; V216-K218 VanDerWaalsContact O-N 3.12Å; V216-S219 VanDerWaalsContact O-CB 3.24Å; V216-S219 WeakPolarHBondContact O-CB 3.23Å; V216-S219 PolarHBondContact O-N 3.11Å; V216-Q224 WeakPolarHBondContact CG1-O 3.47Å; V216-V229 HydrophobicContact CG2-CG2 4.32Å; V216-M232 HydrophobicContact CG1-CE 4.09Å; V216-M232 HydrophobicContact CG2-CE 3.87Å; V216-M232 HydrophobicContact CG2-SD 4.22Å
217	A	90.1	Very high	88.5	Confident	65 Å²	65	64.9 Å²	64.9	54%	0.537	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.5	177.9	0	0	0	0	0	114.3	K213 I215 S219 R225	K213-A217 VanDerWaalsContact O-CB 3.31Å; K213-A217 WeakPolarHBondContact O-CB 3.4Å; K213-A217 PolarHBondContact O-N 3.18Å; I215-A217 VanDerWaalsContact C-N 3.26Å; I215-A217 PolarHBondContact O-N 3.03Å; A217-S219 VanDerWaalsContact C-N 3.33Å; A217-R225 VanDerWaalsContact O-CD 3.31Å; A217-R225 WeakPolarHBondContact O-CD 3.22Å
218	K	89.9	Confident	88.4	Confident	163 Å²	163	64.5 Å²	64.5	71%	0.709	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.6	178.1	-57.7	170.4	-176.4	169	0	113.4	G214 I215 V216	G214-K218 WeakPolarHBondContact O-CE 3.33Å; I215-K218 WeakPolarHBondContact O-CB 3.11Å; I215-K218 PolarHBondContact O-N 3.18Å; V216-K218 PolarHBondContact O-N 3.02Å; V216-K218 VanDerWaalsContact O-N 3.12Å
219	S	85.6	Confident	88.4	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.014	32%	0.322	C	S	.	.			trans	-59.5	137.9	179	170.7	0	0	0	0	112	E113 V216 A217 Y221 Q224 R225	E113-S219 WeakPolarHBondContact OE1-CA 3.38Å; E113-S219 PolarHBondContact OE1-OG 2.9Å; V216-S219 VanDerWaalsContact O-CB 3.24Å; V216-S219 WeakPolarHBondContact O-CB 3.23Å; V216-S219 PolarHBondContact O-N 3.11Å; A217-S219 VanDerWaalsContact C-N 3.33Å; S219-Y221 PolarHBondContact OG-N 3.32Å; S219-Y221 PolarHBondContact OG-O 3.46Å; S219-Q224 WeakPolarHBondContact OG-CB 3.4Å; S219-R225 PolarHBondContact O-NH1 3.34Å
220	Q	83.4	Confident	88.5	Confident	135 Å²	135	62.9 Å²	62.9	63%	0.631	32%	0.315	S	S	*	.	S	Bend	trans	-66	-43.4	178.1	61.7	-170.4	-49.6	0	0	112.3	E113 R225	E113-Q220 PolarHBondContact OE1-N 2.82Å; E113-Q220 PolarHBondContact OE2-NE2 3.26Å; Q220-R225 PolarHBondContact O-NH1 3.02Å; Q220-R225 VanDerWaalsContact O-NH1 3.12Å
221	Y	82.7	Confident	88.5	Confident	58 Å²	58	60.6 Å²	60.6	23%	0.227	31%	0.309	C	S	.	.	S	Bend	trans	-77.7	146.1	178.6	-64.3	-85.2	0	0	0	111.9	E113 S219 R225	E113-Y221 HydrophobicContact CB-CD2 4Å; E113-Y221 HydrophobicContact CB-CE2 4.07Å; E113-Y221 HydrophobicContact CG-CD2 3.9Å; E113-Y221 HydrophobicContact CG-CE2 4.4Å; S219-Y221 PolarHBondContact OG-N 3.32Å; S219-Y221 PolarHBondContact OG-O 3.46Å; Y221-R225 PolarHBondContact O-NH1 2.87Å
222	Q	83.6	Confident	88.6	Confident	142 Å²	142	59.2 Å²	59.2	66%	0.664	30%	0.302	S	S	*	.	H	α-helix	trans	-77	-36.3	-178.9	-46.4	-155.9	-3.1	0	0	111.2	Q224 R225	Q222-Q224 PolarHBondContact O-N 2.7Å; Q222-R225 PolarHBondContact O-N 3.39Å; Q222-R225 VanDerWaalsContact O-N 3.08Å
223	E	79.8	Confident	88.7	Confident	75 Å²	75	59.2 Å²	59.2	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-22.2	-176.5	-47	95.1	105.3	0	0	112.8	R110 I226 Q227	R110-E223 IonicContact CZ-OE1 3.88Å; R110-E223 IonicContact NE-OE1 3.68Å; R110-E223 PolarHBondContact NE-OE1 3.16Å; R110-E223 IonicContact NH2-OE1 2.71Å; R110-E223 PolarHBondContact NH2-OE1 3.3Å; E223-I226 VanDerWaalsContact O-CG1 3.23Å; E223-I226 WeakPolarHBondContact O-CG1 3.43Å; E223-Q227 PolarHBondContact O-NE2 2.83Å
224	Q	81.4	Confident	88.8	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-82.9	-31.3	173.5	-84.9	79.7	-23.3	0	0	111.5	R110 E113 I114 I117 V216 S219 Q222 I226 Q227 M232	R110-Q224 PolarHBondContact O-NE2 3.38Å; R110-Q224 VanDerWaalsContact O-NE2 3.13Å; E113-Q224 HydrophobicContact CG-CG 4.21Å; I114-Q224 HydrophobicContact CG1-CG 3.89Å; I117-Q224 HydrophobicContact CD1-CB 4.24Å; I117-Q224 HydrophobicContact CD1-CG 4.36Å; V216-Q224 WeakPolarHBondContact CG1-O 3.47Å; S219-Q224 WeakPolarHBondContact OG-CB 3.4Å; Q222-Q224 PolarHBondContact O-N 2.7Å; Q224-I226 PolarHBondContact O-N 3.17Å; Q224-Q227 PolarHBondContact O-N 2.85Å; Q224-Q227 VanDerWaalsContact O-N 3.09Å; Q224-M232 HydrophobicContact CB-CE 4.3Å; Q224-M232 VanDerWaalsContact O-CE 3.31Å; Q224-M232 WeakPolarHBondContact O-CE 3.28Å
225	R	83.3	Confident	88.8	Confident	104 Å²	104	60.1 Å²	60.1	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-68.6	-15.8	-179.1	-65.9	-166.7	-64.3	-99.9	8	113.9	A217 S219 Q220 Y221 Q222	A217-R225 VanDerWaalsContact O-CD 3.31Å; A217-R225 WeakPolarHBondContact O-CD 3.22Å; S219-R225 PolarHBondContact O-NH1 3.34Å; Q220-R225 PolarHBondContact O-NH1 3.02Å; Q220-R225 VanDerWaalsContact O-NH1 3.12Å; Y221-R225 PolarHBondContact O-NH1 2.87Å; Q222-R225 PolarHBondContact O-N 3.39Å; Q222-R225 VanDerWaalsContact O-N 3.08Å
226	I	83.5	Confident	89	Confident	150 Å²	150	59.3 Å²	59.3	77%	0.769	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.2	174	60.7	168.1	0	0	0	113.8	E223 Q224	E223-I226 VanDerWaalsContact O-CG1 3.23Å; E223-I226 WeakPolarHBondContact O-CG1 3.43Å; Q224-I226 PolarHBondContact O-N 3.17Å
227	Q	84.3	Confident	89.1	Confident	67 Å²	67	59.6 Å²	59.6	31%	0.313	30%	0.295	S	S	.	.			trans	-93.5	145.1	-179	-69.7	174.6	56.8	0	0	111.5	E223 Q224 M232	E223-Q227 PolarHBondContact O-NE2 2.83Å; Q224-Q227 PolarHBondContact O-N 2.85Å; Q224-Q227 VanDerWaalsContact O-N 3.09Å; Q227-M232 HydrophobicContact CB-CE 3.91Å; Q227-M232 HydrophobicContact CB-CG 4.22Å
228	N	92	Very high	89.3	Confident	82 Å²	82	58.7 Å²	58.7	44%	0.439	28%	0.283	S	S	.	.			trans	-91.4	162.8	168.1	68.7	16.3	0	0	0	111	Y202 G231 M232	Y202-N228 HydrophobicContact CE1-CB 4.04Å; N228-G231 PolarHBondContact O-N 3.25Å; N228-G231 VanDerWaalsContact O-N 3.08Å; N228-G231 PolarHBondContact OD1-N 3.09Å; N228-M232 PolarHBondContact O-N 3.14Å
229	V	93.9	Very high	89.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-38	-177.3	164	0	0	0	0	113.5	L118 V121 F141 F198 Y202 C212 V216 G231 M232 F233	L118-V229 HydrophobicContact CD2-CG1 3.78Å; V121-V229 HydrophobicContact CG2-CG2 4.27Å; F141-V229 HydrophobicContact CZ-CG1 4.23Å; F198-V229 HydrophobicContact CE1-CG1 4.02Å; F198-V229 HydrophobicContact CZ-CG1 3.84Å; Y202-V229 HydrophobicContact CE2-CB 4.17Å; C212-V229 HydrophobicContact CB-CB 4.49Å; C212-V229 HydrophobicContact CB-CG2 3.73Å; V216-V229 HydrophobicContact CG2-CG2 4.32Å; V229-G231 PolarHBondContact O-N 2.86Å; V229-M232 WeakPolarHBondContact O-CB 3.46Å; V229-M232 PolarHBondContact O-N 2.99Å; V229-F233 HydrophobicContact CG1-CD2 3.87Å; V229-F233 HydrophobicContact CG1-CE2 3.75Å; V229-F233 WeakPolarHBondContact O-CD2 3.4Å; V229-F233 PolarHBondContact O-N 3.46Å
230	P	94.7	Very high	90	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-42.6	169.1	-28	36.2	0	0	0	114	F195 F198 Y202 F233 Y234	F195-P230 HydrophobicContact CE2-CB 4.09Å; F195-P230 WeakPolarHBondContact CE2-O 3.31Å; F195-P230 HydrophobicContact CZ-CB 4.34Å; F198-P230 HydrophobicContact CE1-CG 4.16Å; Y202-P230 HydrophobicContact CD1-CG 3.56Å; Y202-P230 HydrophobicContact CD2-CG 4.46Å; Y202-P230 HydrophobicContact CE1-CG 4.09Å; Y202-P230 HydrophobicContact CG-CG 3.77Å; P230-F233 PolarHBondContact O-N 3.22Å; P230-Y234 PolarHBondContact O-N 3.05Å; P230-Y234 VanDerWaalsContact O-N 3.07Å
231	G	93.2	Very high	90.6	Very high	27 Å²	27	47.9 Å²	47.9	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-37.8	174.9	0	0	0	0	0	113	N228 V229 Y234 G235	N228-G231 PolarHBondContact O-N 3.25Å; N228-G231 VanDerWaalsContact O-N 3.08Å; N228-G231 PolarHBondContact OD1-N 3.09Å; V229-G231 PolarHBondContact O-N 2.86Å; G231-Y234 WeakPolarHBondContact O-CB 3.17Å; G231-Y234 PolarHBondContact O-N 3.46Å; G231-G235 PolarHBondContact O-N 2.9Å
232	M	94.9	Very high	91.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.6	-73.4	-176.6	-179.2	0	0	112	I114 I117 L118 V216 Q224 Q227 N228 V229 Y234 G235 V236	I114-M232 HydrophobicContact CG2-CB 3.78Å; I114-M232 HydrophobicContact CG2-CG 4.08Å; I117-M232 HydrophobicContact CB-SD 4.2Å; I117-M232 HydrophobicContact CD1-CE 3.9Å; I117-M232 HydrophobicContact CD1-SD 4.35Å; I117-M232 HydrophobicContact CG2-CE 4.24Å; I117-M232 HydrophobicContact CG2-SD 3.67Å; L118-M232 HydrophobicContact CD1-CB 4.32Å; L118-M232 HydrophobicContact CD2-CB 4.03Å; L118-M232 HydrophobicContact CG-CB 4.25Å; V216-M232 HydrophobicContact CG1-CE 4.09Å; V216-M232 HydrophobicContact CG2-CE 3.87Å; V216-M232 HydrophobicContact CG2-SD 4.22Å; Q224-M232 HydrophobicContact CB-CE 4.3Å; Q224-M232 VanDerWaalsContact O-CE 3.31Å; Q224-M232 WeakPolarHBondContact O-CE 3.28Å; Q227-M232 HydrophobicContact CB-CE 3.91Å; Q227-M232 HydrophobicContact CB-CG 4.22Å; N228-M232 PolarHBondContact O-N 3.14Å; V229-M232 WeakPolarHBondContact O-CB 3.46Å; V229-M232 PolarHBondContact O-N 2.99Å; M232-Y234 VanDerWaalsContact C-N 3.31Å; M232-Y234 PolarHBondContact O-N 3.11Å; M232-G235 WeakPolarHBondContact O-CA 3.27Å; M232-G235 PolarHBondContact O-N 3.39Å; M232-G235 VanDerWaalsContact O-N 3.12Å; M232-V236 PolarHBondContact O-N 2.9Å; M232-V236 VanDerWaalsContact O-N 3.1Å
233	F	96	Very high	91.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-37.4	173.2	-85	-70.2	0	0	0	112.9	L118 M140 F141 I144 F187 Y191 F195 F198 V229 P230 V236 S237	L118-F233 HydrophobicContact CD1-CD1 4.12Å; L118-F233 HydrophobicContact CD1-CE1 4.35Å; L118-F233 HydrophobicContact CD1-CG 4.33Å; L118-F233 HydrophobicContact CD2-CD2 3.89Å; L118-F233 HydrophobicContact CD2-CE1 4.49Å; L118-F233 HydrophobicContact CD2-CE2 3.81Å; L118-F233 HydrophobicContact CD2-CG 4.28Å; L118-F233 HydrophobicContact CD2-CZ 4.13Å; M140-F233 HydrophobicContact CB-CE1 4.25Å; M140-F233 HydrophobicContact CB-CE2 4.43Å; M140-F233 HydrophobicContact CB-CZ 3.88Å; M140-F233 HydrophobicContact CE-CB 4.11Å; M140-F233 HydrophobicContact CE-CD1 3.61Å; M140-F233 HydrophobicContact CE-CD2 3.83Å; M140-F233 HydrophobicContact CE-CE1 3.83Å; M140-F233 HydrophobicContact CE-CE2 4.03Å; M140-F233 HydrophobicContact CE-CG 3.61Å; M140-F233 HydrophobicContact CE-CZ 4.03Å; F141-F233 HydrophobicContact CD1-CE2 4.41Å; F141-F233 AromaticContact CD1-CZ 3.65Å; F141-F233 HydrophobicContact CD1-CZ 3.65Å; F141-F233 HydrophobicContact CD2-CZ 4.2Å; F141-F233 AromaticContact CE1-CE2 3.79Å; F141-F233 HydrophobicContact CE1-CE2 3.79Å; F141-F233 AromaticContact CE1-CZ 3.48Å; F141-F233 HydrophobicContact CE1-CZ 3.48Å; F141-F233 VanDerWaalsContact CE1-CZ 3.48Å; F141-F233 HydrophobicContact CE2-CE2 4.12Å; F141-F233 HydrophobicContact CE2-CZ 4.04Å; F141-F233 HydrophobicContact CG-CZ 4.02Å; F141-F233 AromaticContact CZ-CE2 3.62Å; F141-F233 HydrophobicContact CZ-CE2 3.62Å; F141-F233 AromaticContact CZ-CZ 3.68Å; F141-F233 HydrophobicContact CZ-CZ 3.68Å; I144-F233 HydrophobicContact CD1-CD1 4.37Å; I144-F233 HydrophobicContact CD1-CE1 3.85Å; I144-F233 HydrophobicContact CG1-CE1 3.98Å; F187-F233 AromaticContact CE2-CD1 3.96Å; F187-F233 HydrophobicContact CE2-CD1 3.96Å; F187-F233 HydrophobicContact CE2-CE1 4.17Å; F187-F233 HydrophobicContact CZ-CD1 4.08Å; Y191-F233 HydrophobicContact CD2-CB 4.36Å; Y191-F233 HydrophobicContact CE2-CB 4Å; F195-F233 HydrophobicContact CE2-CB 4.38Å; F198-F233 HydrophobicContact CD1-CD2 4.35Å; F198-F233 HydrophobicContact CD1-CE2 4.41Å; F198-F233 AromaticContact CE1-CD2 3.76Å; F198-F233 HydrophobicContact CE1-CD2 3.76Å; F198-F233 AromaticContact CE1-CE2 3.71Å; F198-F233 HydrophobicContact CE1-CE2 3.71Å; F198-F233 HydrophobicContact CZ-CD2 4.31Å; F198-F233 AromaticContact CZ-CE2 3.79Å; F198-F233 HydrophobicContact CZ-CE2 3.79Å; V229-F233 HydrophobicContact CG1-CD2 3.87Å; V229-F233 HydrophobicContact CG1-CE2 3.75Å; V229-F233 WeakPolarHBondContact O-CD2 3.4Å; V229-F233 PolarHBondContact O-N 3.46Å; P230-F233 PolarHBondContact O-N 3.22Å; F233-V236 PolarHBondContact O-N 3.26Å; F233-S237 PolarHBondContact O-N 3.32Å
234	Y	94.3	Very high	92.3	Very high	139 Å²	139	41.9 Å²	41.9	55%	0.545	21%	0.209	S	C	.	.	H	α-helix	trans	-64.7	-37.5	172.9	-179.1	-91.1	0	0	0	112.3	P230 G231 M232 V236 S237 T238	P230-Y234 PolarHBondContact O-N 3.05Å; P230-Y234 VanDerWaalsContact O-N 3.07Å; G231-Y234 WeakPolarHBondContact O-CB 3.17Å; G231-Y234 PolarHBondContact O-N 3.46Å; M232-Y234 VanDerWaalsContact C-N 3.31Å; M232-Y234 PolarHBondContact O-N 3.11Å; Y234-V236 VanDerWaalsContact C-N 3.3Å; Y234-V236 PolarHBondContact O-N 2.81Å; Y234-S237 WeakPolarHBondContact CA-OG 3.46Å; Y234-S237 PolarHBondContact O-N 2.86Å; Y234-S237 PolarHBondContact O-OG 3.32Å; Y234-T238 HydrophobicContact CD1-CG2 4.3Å; Y234-T238 HydrophobicContact CE1-CG2 3.85Å; Y234-T238 HydrophobicContact CE2-CG2 4.28Å; Y234-T238 WeakPolarHBondContact O-CG2 3.4Å; Y234-T238 PolarHBondContact O-N 3.47Å; Y234-T238 VanDerWaalsContact O-N 3.09Å; Y234-T238 PolarHBondContact O-OG1 3.22Å
235	G	93.2	Very high	93	Very high	15 Å²	15	44.5 Å²	44.5	16%	0.155	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-36.4	171.3	0	0	0	0	0	113.4	G231 M232 T238	G231-G235 PolarHBondContact O-N 2.9Å; M232-G235 WeakPolarHBondContact O-CA 3.27Å; M232-G235 PolarHBondContact O-N 3.39Å; M232-G235 VanDerWaalsContact O-N 3.12Å; G235-T238 PolarHBondContact O-OG1 3.46Å
236	V	95.8	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-75.8	-39.2	175.7	-175.8	0	0	0	0	111.8	L111 I114 I115 L118 L147 Y184 F187 M232 F233 Y234 T238 A239	L111-V236 HydrophobicContact CD1-CG2 4.12Å; I114-V236 HydrophobicContact CG2-CG2 3.97Å; I115-V236 HydrophobicContact CD1-CG1 4.24Å; I115-V236 HydrophobicContact CD1-CG2 4.19Å; I115-V236 HydrophobicContact CG1-CG1 4.37Å; I115-V236 HydrophobicContact CG1-CG2 3.6Å; L118-V236 HydrophobicContact CD1-CG2 3.76Å; L147-V236 HydrophobicContact CD1-CG1 3.99Å; Y184-V236 HydrophobicContact CE1-CG1 4.38Å; F187-V236 HydrophobicContact CD1-CG1 4.26Å; F187-V236 HydrophobicContact CE1-CB 4.06Å; F187-V236 HydrophobicContact CE1-CG1 3.61Å; F187-V236 HydrophobicContact CE2-CG1 4.4Å; F187-V236 HydrophobicContact CZ-CB 3.92Å; F187-V236 HydrophobicContact CZ-CG1 3.69Å; M232-V236 PolarHBondContact O-N 2.9Å; M232-V236 VanDerWaalsContact O-N 3.1Å; F233-V236 PolarHBondContact O-N 3.26Å; Y234-V236 VanDerWaalsContact C-N 3.3Å; Y234-V236 PolarHBondContact O-N 2.81Å; V236-T238 VanDerWaalsContact C-N 3.29Å; V236-T238 PolarHBondContact O-N 2.97Å; V236-A239 VanDerWaalsContact O-CB 3.25Å; V236-A239 WeakPolarHBondContact O-CB 2.85Å; V236-A239 PolarHBondContact O-N 2.9Å
237	S	95.1	Very high	93.9	Very high	16 Å²	16	32.4 Å²	32.4	11%	0.112	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-29.3	179.6	70.4	0	0	0	0	113.2	F233 Y234	F233-S237 PolarHBondContact O-N 3.32Å; Y234-S237 WeakPolarHBondContact CA-OG 3.46Å; Y234-S237 PolarHBondContact O-N 2.86Å; Y234-S237 PolarHBondContact O-OG 3.32Å
238	T	95.6	Very high	94.3	Very high	46 Å²	46	35.9 Å²	35.9	28%	0.282	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.5	175.5	52.2	0	0	0	0	114.3	Y234 G235 V236 L240 T241 R242	Y234-T238 HydrophobicContact CD1-CG2 4.3Å; Y234-T238 HydrophobicContact CE1-CG2 3.85Å; Y234-T238 HydrophobicContact CE2-CG2 4.28Å; Y234-T238 WeakPolarHBondContact O-CG2 3.4Å; Y234-T238 PolarHBondContact O-N 3.47Å; Y234-T238 VanDerWaalsContact O-N 3.09Å; Y234-T238 PolarHBondContact O-OG1 3.22Å; G235-T238 PolarHBondContact O-OG1 3.46Å; V236-T238 VanDerWaalsContact C-N 3.29Å; V236-T238 PolarHBondContact O-N 2.97Å; T238-L240 PolarHBondContact O-N 3.16Å; T238-T241 WeakPolarHBondContact O-CB 3.39Å; T238-T241 PolarHBondContact O-N 3.37Å; T238-T241 VanDerWaalsContact O-N 3.14Å; T238-R242 PolarHBondContact O-N 3.41Å
239	A	94.9	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-48.8	-167.5	0	0	0	0	0	115.4	Y107 L111 Y184 V236 T241 R242 Y243	Y107-A239 VanDerWaalsContact OH-CA 3.28Å; Y107-A239 WeakPolarHBondContact OH-CA 3.46Å; L111-A239 HydrophobicContact CD1-CB 4.29Å; L111-A239 HydrophobicContact CD2-CB 3.54Å; Y184-A239 HydrophobicContact CE1-CB 4.16Å; Y184-A239 VanDerWaalsContact OH-CB 3.31Å; Y184-A239 WeakPolarHBondContact OH-CB 3.33Å; V236-A239 VanDerWaalsContact O-CB 3.25Å; V236-A239 WeakPolarHBondContact O-CB 2.85Å; V236-A239 PolarHBondContact O-N 2.9Å; A239-T241 PolarHBondContact O-N 3.26Å; A239-R242 PolarHBondContact O-N 3.2Å; A239-R242 VanDerWaalsContact O-N 3.11Å; A239-Y243 WeakPolarHBondContact O-CD2 3.21Å; A239-Y243 PolarHBondContact O-N 2.91Å
240	L	93.7	Very high	94.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-32.9	176.3	-73.8	-173.7	0	0	0	112.2	Y184 T238 K244 I271 L274 L275	Y184-L240 VanDerWaalsContact CB-CD1 3.49Å; Y184-L240 HydrophobicContact CD1-CD1 4.12Å; Y184-L240 HydrophobicContact CD1-CG 3.98Å; Y184-L240 HydrophobicContact CD2-CD1 3.78Å; Y184-L240 HydrophobicContact CD2-CD2 3.78Å; Y184-L240 HydrophobicContact CD2-CG 3.72Å; Y184-L240 HydrophobicContact CE1-CG 4.16Å; Y184-L240 HydrophobicContact CE2-CD1 4.47Å; Y184-L240 HydrophobicContact CE2-CD2 3.74Å; Y184-L240 HydrophobicContact CE2-CG 3.9Å; Y184-L240 HydrophobicContact CG-CD1 3.56Å; Y184-L240 HydrophobicContact CG-CD2 4.32Å; Y184-L240 HydrophobicContact CG-CG 3.74Å; T238-L240 PolarHBondContact O-N 3.16Å; L240-K244 WeakPolarHBondContact O-CB 3.05Å; L240-K244 PolarHBondContact O-N 3.48Å; L240-I271 HydrophobicContact CB-CG2 4.12Å; L240-I271 HydrophobicContact CD2-CG2 4.27Å; L240-I271 WeakPolarHBondContact O-CG2 3.43Å; L240-L274 HydrophobicContact CD1-CD2 3.55Å; L240-L274 HydrophobicContact CD1-CG 3.93Å; L240-L275 HydrophobicContact CB-CD1 4.31Å; L240-L275 HydrophobicContact CB-CD2 3.83Å; L240-L275 HydrophobicContact CB-CG 4.12Å; L240-L275 HydrophobicContact CD1-CD2 4.43Å
241	T	95.7	Very high	93.9	Very high	72 Å²	72	37.5 Å²	37.5	44%	0.442	18%	0.179	S	C	.	.	H	α-helix	trans	-66.1	-38.9	174.6	-57.2	0	0	0	0	111.2	T238 A239 K244 D245	T238-T241 WeakPolarHBondContact O-CB 3.39Å; T238-T241 PolarHBondContact O-N 3.37Å; T238-T241 VanDerWaalsContact O-N 3.14Å; A239-T241 PolarHBondContact O-N 3.26Å; T241-K244 PolarHBondContact O-N 2.95Å; T241-D245 PolarHBondContact O-N 2.8Å; T241-D245 VanDerWaalsContact O-N 3.11Å
242	R	95.3	Very high	93.6	Very high	93 Å²	93	39.2 Å²	39.2	35%	0.351	20%	0.197	S	C	.	.	H	α-helix	trans	-70	-42.3	175.2	-172.7	49	166.6	-161.9	-12.6	112.7	E103 Y107 T238 A239 K244 D245 L246	E103-R242 IonicContact OE1-CZ 3.82Å; E103-R242 IonicContact OE1-NE 2.69Å; E103-R242 IonicContact OE1-NH2 3.23Å; E103-R242 PolarHBondContact OE1-NH2 2.84Å; Y107-R242 HydrophobicContact CD1-CG 4.12Å; Y107-R242 HydrophobicContact CD2-CG 4.27Å; Y107-R242 HydrophobicContact CE1-CB 3.98Å; Y107-R242 HydrophobicContact CE1-CG 3.97Å; Y107-R242 HydrophobicContact CE2-CG 4.15Å; Y107-R242 HydrophobicContact CG-CG 4.28Å; T238-R242 PolarHBondContact O-N 3.41Å; A239-R242 PolarHBondContact O-N 3.2Å; A239-R242 VanDerWaalsContact O-N 3.11Å; R242-K244 VanDerWaalsContact C-N 3.33Å; R242-K244 PolarHBondContact O-N 3.32Å; R242-D245 IonicContact CZ-OD2 3.17Å; R242-D245 IonicContact NE-OD2 3.67Å; R242-D245 IonicContact NH1-OD2 2.67Å; R242-D245 PolarHBondContact NH1-OD2 3.44Å; R242-D245 PolarHBondContact O-N 2.97Å; R242-L246 HydrophobicContact CG-CD1 3.93Å; R242-L246 HydrophobicContact CG-CG 4.43Å; R242-L246 WeakPolarHBondContact O-CG 3.27Å; R242-L246 PolarHBondContact O-N 2.82Å
243	Y	93.5	Very high	93.2	Very high	3 Å²	3	40 Å²	40	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-40	172.7	-72.7	-64.7	0	0	0	111.9	M104 Y107 G108 L111 F172 A239 D245 L246 I247	M104-Y243 HydrophobicContact CG-CD1 3.87Å; M104-Y243 HydrophobicContact CG-CE1 3.86Å; M104-Y243 HydrophobicContact SD-CD1 4.08Å; Y107-Y243 HydrophobicContact CD1-CE1 4.04Å; Y107-Y243 HydrophobicContact CD1-CE2 4.29Å; Y107-Y243 AromaticContact CD1-CZ 3.91Å; Y107-Y243 HydrophobicContact CE1-CD2 4.32Å; Y107-Y243 HydrophobicContact CE1-CE1 4.46Å; Y107-Y243 AromaticContact CE1-CE2 3.93Å; Y107-Y243 HydrophobicContact CE1-CE2 3.93Å; G108-Y243 WeakPolarHBondContact CA-OH 3.46Å; L111-Y243 HydrophobicContact CD2-CE2 3.96Å; F172-Y243 AromaticContact CZ-CD1 3.95Å; F172-Y243 HydrophobicContact CZ-CD1 3.95Å; F172-Y243 HydrophobicContact CZ-CE1 4.12Å; F172-Y243 HydrophobicContact CZ-CG 4.34Å; A239-Y243 WeakPolarHBondContact O-CD2 3.21Å; A239-Y243 PolarHBondContact O-N 2.91Å; Y243-D245 PolarHBondContact O-N 3.2Å; Y243-L246 PolarHBondContact O-N 2.96Å; Y243-I247 WeakPolarHBondContact O-CB 3.38Å; Y243-I247 WeakPolarHBondContact O-CG1 3.13Å; Y243-I247 PolarHBondContact O-N 3.01Å
244	K	94.6	Very high	92.5	Very high	52 Å²	52	41.1 Å²	41.1	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-44.4	174.2	-175	173.3	63.9	178.5	0	112.4	L240 T241 R242 Y248 I271 K272 L275	L240-K244 WeakPolarHBondContact O-CB 3.05Å; L240-K244 PolarHBondContact O-N 3.48Å; T241-K244 PolarHBondContact O-N 2.95Å; R242-K244 VanDerWaalsContact C-N 3.33Å; R242-K244 PolarHBondContact O-N 3.32Å; K244-Y248 VanDerWaalsContact O-CB 3.27Å; K244-Y248 WeakPolarHBondContact O-CB 3.42Å; K244-Y248 PolarHBondContact O-N 3.3Å; K244-I271 HydrophobicContact CB-CG2 3.96Å; K244-K272 HydrophobicContact CD-CB 3.93Å; K244-K272 HydrophobicContact CD-CG 4.46Å; K244-L275 HydrophobicContact CB-CD1 4.45Å; K244-L275 HydrophobicContact CD-CD1 3.97Å
245	D	95.1	Very high	91.8	Very high	58 Å²	58	38.5 Å²	38.5	31%	0.31	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-48.1	176.3	170.8	56.6	0	0	0	112.2	T241 R242 Y243 I247 Y248 R249	T241-D245 PolarHBondContact O-N 2.8Å; T241-D245 VanDerWaalsContact O-N 3.11Å; R242-D245 IonicContact CZ-OD2 3.17Å; R242-D245 IonicContact NE-OD2 3.67Å; R242-D245 IonicContact NH1-OD2 2.67Å; R242-D245 PolarHBondContact NH1-OD2 3.44Å; R242-D245 PolarHBondContact O-N 2.97Å; Y243-D245 PolarHBondContact O-N 3.2Å; D245-I247 PolarHBondContact O-N 3.26Å; D245-Y248 WeakPolarHBondContact O-CB 3.33Å; D245-Y248 PolarHBondContact O-N 3.27Å; D245-R249 WeakPolarHBondContact O-CB 3.33Å; D245-R249 WeakPolarHBondContact O-CG 3.44Å; D245-R249 PolarHBondContact O-N 3.43Å
246	L	93.4	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-44.3	-179.9	-68.9	167.3	0	0	0	112.3	V100 E103 M104 R242 Y243 Y248 R249 L250	V100-L246 HydrophobicContact CG1-CD2 4.36Å; V100-L246 VanDerWaalsContact CG1-O 3.29Å; V100-L246 WeakPolarHBondContact CG1-O 3.2Å; E103-L246 HydrophobicContact CB-CD2 4.27Å; E103-L246 HydrophobicContact CG-CD2 4.01Å; E103-L246 WeakPolarHBondContact OE1-CD2 3.49Å; M104-L246 HydrophobicContact CB-CB 4.48Å; M104-L246 HydrophobicContact CB-CD1 3.97Å; M104-L246 HydrophobicContact CG-CB 4.44Å; M104-L246 HydrophobicContact CG-CD1 4.01Å; M104-L246 HydrophobicContact SD-CB 4.2Å; R242-L246 HydrophobicContact CG-CD1 3.93Å; R242-L246 HydrophobicContact CG-CG 4.43Å; R242-L246 WeakPolarHBondContact O-CG 3.27Å; R242-L246 PolarHBondContact O-N 2.82Å; Y243-L246 PolarHBondContact O-N 2.96Å; L246-Y248 VanDerWaalsContact C-N 3.32Å; L246-Y248 PolarHBondContact O-N 3Å; L246-R249 PolarHBondContact O-N 3.02Å; L246-L250 WeakPolarHBondContact O-CB 3.35Å; L246-L250 PolarHBondContact O-N 3.09Å
247	I	92.2	Very high	90.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-32.8	177.5	-62	172.1	0	0	0	110.7	M104 L168 F172 Y243 D245 K251 V264 A267 W268 I271	M104-I247 HydrophobicContact SD-CG1 3.96Å; L168-I247 HydrophobicContact CD1-CG2 4.45Å; L168-I247 HydrophobicContact CD2-CG1 4.48Å; F172-I247 HydrophobicContact CD1-CD1 3.92Å; F172-I247 HydrophobicContact CE1-CD1 4.11Å; F172-I247 HydrophobicContact CG-CD1 4.44Å; Y243-I247 WeakPolarHBondContact O-CB 3.38Å; Y243-I247 WeakPolarHBondContact O-CG1 3.13Å; Y243-I247 PolarHBondContact O-N 3.01Å; D245-I247 PolarHBondContact O-N 3.26Å; I247-K251 WeakPolarHBondContact O-CB 3.44Å; I247-K251 PolarHBondContact O-N 3.25Å; I247-V264 HydrophobicContact CG2-CG1 3.84Å; I247-A267 HydrophobicContact CD1-CB 4.33Å; I247-A267 HydrophobicContact CG2-CB 4.26Å; I247-W268 HydrophobicContact CG2-CB 3.97Å; I247-I271 HydrophobicContact CD1-CD1 3.73Å
248	Y	93.5	Very high	89.4	Confident	140 Å²	140	48.7 Å²	48.7	55%	0.549	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-43.8	171.4	-172.7	-105.2	0	0	0	112.6	K244 D245 L246 L250 K251 G252 W268	K244-Y248 VanDerWaalsContact O-CB 3.27Å; K244-Y248 WeakPolarHBondContact O-CB 3.42Å; K244-Y248 PolarHBondContact O-N 3.3Å; D245-Y248 WeakPolarHBondContact O-CB 3.33Å; D245-Y248 PolarHBondContact O-N 3.27Å; L246-Y248 VanDerWaalsContact C-N 3.32Å; L246-Y248 PolarHBondContact O-N 3Å; Y248-L250 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 3.07Å; Y248-K251 WeakPolarHBondContact O-CB 3.36Å; Y248-K251 PolarHBondContact O-N 2.97Å; Y248-G252 PolarHBondContact O-N 2.89Å; Y248-W268 HydrophobicContact CD2-CD2 4.43Å; Y248-W268 AromaticContact CD2-CE2 3.69Å; Y248-W268 AromaticContact CD2-CZ2 3.92Å; Y248-W268 HydrophobicContact CD2-CZ2 3.92Å; Y248-W268 AromaticContact CD2-NE1 3.51Å; Y248-W268 HydrophobicContact CE2-CZ2 4.21Å; Y248-W268 AromaticContact CG-NE1 3.89Å
249	R	92.5	Very high	88.5	Confident	86 Å²	86	51 Å²	51	33%	0.325	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-42.3	174.9	-73.2	168	57.5	-157.9	-7.8	111.2	V100 E103 D245 L246 G252	V100-R249 HydrophobicContact CG1-CB 4.09Å; V100-R249 HydrophobicContact CG2-CB 4.22Å; E103-R249 VanDerWaalsContact CD-NH1 3.3Å; E103-R249 IonicContact OE1-CZ 2.87Å; E103-R249 IonicContact OE1-NH1 2.7Å; E103-R249 PolarHBondContact OE1-NH1 3.26Å; E103-R249 IonicContact OE2-CZ 3.44Å; E103-R249 VanDerWaalsContact OE2-CZ 3.23Å; E103-R249 IonicContact OE2-NH1 3.99Å; E103-R249 PolarHBondContact OE2-NH1 3.04Å; E103-R249 IonicContact OE2-NH2 3.47Å; E103-R249 PolarHBondContact OE2-NH2 3.28Å; D245-R249 WeakPolarHBondContact O-CB 3.33Å; D245-R249 WeakPolarHBondContact O-CG 3.44Å; D245-R249 PolarHBondContact O-N 3.43Å; L246-R249 PolarHBondContact O-N 3.02Å; R249-G252 PolarHBondContact O-N 3.15Å
250	L	89.6	Confident	88	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-48.1	174.1	-178.8	60	0	0	0	111.2	A97 V100 V166 L168 L246 Y248 G252 T253 M254 V264	A97-L250 HydrophobicContact CB-CD1 3.93Å; V100-L250 HydrophobicContact CG1-CB 4.04Å; V166-L250 HydrophobicContact CG1-CD1 3.79Å; L168-L250 HydrophobicContact CD2-CD2 3.89Å; L168-L250 HydrophobicContact CG-CD2 4.42Å; L246-L250 WeakPolarHBondContact O-CB 3.35Å; L246-L250 PolarHBondContact O-N 3.09Å; Y248-L250 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 3.07Å; L250-G252 PolarHBondContact O-N 3.08Å; L250-T253 WeakPolarHBondContact O-CB 3.43Å; L250-T253 PolarHBondContact O-N 3.29Å; L250-T253 PolarHBondContact O-OG1 3.41Å; L250-M254 HydrophobicContact CD1-CE 4.06Å; L250-M254 HydrophobicContact CD2-CE 4.45Å; L250-M254 HydrophobicContact CG-CE 4.07Å; L250-V264 HydrophobicContact CD2-CG2 4.04Å; L250-V264 HydrophobicContact CG-CG2 4.43Å
251	K	90	Very high	87.7	Confident	37 Å²	37	55.1 Å²	55.1	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-53.1	-39.7	175	-172.3	171.6	166.9	160.2	0	112.8	I247 Y248 T253 M254 Y261 V264 T265	I247-K251 WeakPolarHBondContact O-CB 3.44Å; I247-K251 PolarHBondContact O-N 3.25Å; Y248-K251 WeakPolarHBondContact O-CB 3.36Å; Y248-K251 PolarHBondContact O-N 2.97Å; K251-T253 PolarHBondContact O-N 3.09Å; K251-M254 PolarHBondContact O-N 3.09Å; K251-Y261 HydrophobicContact CD-CE2 4.31Å; K251-Y261 VanDerWaalsContact CE-OH 3.27Å; K251-Y261 WeakPolarHBondContact CE-OH 3.37Å; K251-Y261 HydrophobicContact CG-CD2 4.2Å; K251-Y261 HydrophobicContact CG-CE2 3.74Å; K251-V264 HydrophobicContact CB-CG1 3.6Å; K251-V264 HydrophobicContact CG-CG1 4.21Å; K251-T265 VanDerWaalsContact CE-OG1 3.25Å; K251-T265 WeakPolarHBondContact CE-OG1 3.26Å; K251-T265 PolarHBondContact NZ-OG1 2.57Å
252	G	87.9	Confident	87.3	Confident	64 Å²	64	56.2 Å²	56.2	66%	0.66	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.2	177.7	0	0	0	0	0	115.1	Y248 R249 L250	Y248-G252 PolarHBondContact O-N 2.89Å; R249-G252 PolarHBondContact O-N 3.15Å; L250-G252 PolarHBondContact O-N 3.08Å
253	T	84.5	Confident	86.9	Confident	15 Å²	15	54.3 Å²	54.3	9%	0.092	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-33.7	175.1	68.9	0	0	0	0	112.7	K93 I96 A97 L250 K251	K93-T253 WeakPolarHBondContact CD-O 3.44Å; K93-T253 WeakPolarHBondContact CE-O 3.47Å; K93-T253 PolarHBondContact NZ-O 2.68Å; I96-T253 HydrophobicContact CB-CG2 4.09Å; I96-T253 HydrophobicContact CG2-CG2 3.66Å; A97-T253 HydrophobicContact CB-CG2 4.27Å; A97-T253 WeakPolarHBondContact CB-OG1 3.37Å; L250-T253 WeakPolarHBondContact O-CB 3.43Å; L250-T253 PolarHBondContact O-N 3.29Å; L250-T253 PolarHBondContact O-OG1 3.41Å; K251-T253 PolarHBondContact O-N 3.09Å
254	M	83.2	Confident	86.8	Confident	25 Å²	25	54.2 Å²	54.2	12%	0.123	30%	0.301	C	S	.	.	S	Bend	trans	-77.9	164.9	-174.2	-66.9	171.8	175.3	0	0	112.9	L250 K251 D258 E260 Y261 V264	L250-M254 HydrophobicContact CD1-CE 4.06Å; L250-M254 HydrophobicContact CD2-CE 4.45Å; L250-M254 HydrophobicContact CG-CE 4.07Å; K251-M254 PolarHBondContact O-N 3.09Å; M254-D258 WeakPolarHBondContact CA-OD2 3.47Å; M254-E260 HydrophobicContact CE-CB 4.09Å; M254-E260 HydrophobicContact CE-CG 3.74Å; M254-E260 HydrophobicContact SD-CB 4.43Å; M254-E260 HydrophobicContact SD-CG 4.42Å; M254-Y261 HydrophobicContact CB-CD2 4.09Å; M254-V264 HydrophobicContact CE-CG2 4.03Å; M254-V264 HydrophobicContact SD-CB 4.38Å; M254-V264 HydrophobicContact SD-CG2 3.91Å
255	L	78.5	Confident	86.6	Confident	84 Å²	84	53 Å²	53	44%	0.44	30%	0.298	S	S	.	.			trans	-103	153.7	166.2	-64.7	173.3	0	0	0	110	S257 D258 Y261	L255-S257 WeakPolarHBondContact CB-OG 3.39Å; L255-S257 PolarHBondContact O-N 2.68Å; L255-D258 PolarHBondContact N-OD2 2.72Å; L255-D258 WeakPolarHBondContact O-CB 3.28Å; L255-D258 PolarHBondContact O-N 3.41Å; L255-Y261 WeakPolarHBondContact O-CB 3.36Å
256	P	79.6	Confident	86.5	Confident	102 Å²	102	53.3 Å²	53.3	66%	0.662	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.8	173.7	-24	35.1	0	0	0	115.3	Y261	P256-Y261 HydrophobicContact CB-CD1 4.32Å; P256-Y261 HydrophobicContact CB-CE1 4.11Å; P256-Y261 HydrophobicContact CG-CE1 4.43Å
257	S	76.1	Confident	86.4	Confident	90 Å²	90	53.3 Å²	53.3	63%	0.629	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.4	173.3	52.7	0	0	0	0	114.4	L255	L255-S257 WeakPolarHBondContact CB-OG 3.39Å; L255-S257 PolarHBondContact O-N 2.68Å
258	D	77.9	Confident	86.5	Confident	52 Å²	52	56.1 Å²	56.1	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	-83	132.1	-173.1	-56.6	-16.2	0	0	0	108.8	M254 L255 E260 Y261	M254-D258 WeakPolarHBondContact CA-OD2 3.47Å; L255-D258 PolarHBondContact N-OD2 2.72Å; L255-D258 WeakPolarHBondContact O-CB 3.28Å; L255-D258 PolarHBondContact O-N 3.41Å; D258-E260 PolarHBondContact O-N 3.23Å; D258-E260 VanDerWaalsContact O-N 3.13Å; D258-Y261 VanDerWaalsContact O-CB 3.24Å; D258-Y261 WeakPolarHBondContact O-CB 3.48Å; D258-Y261 PolarHBondContact O-N 2.71Å
259	P	78	Confident	86.6	Confident	95 Å²	95	52.7 Å²	52.7	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-52.5	-42.7	-173.8	-28.8	35	0	0	0	113.4	Y261 T262	P259-Y261 VanDerWaalsContact C-N 3.29Å; P259-Y261 PolarHBondContact O-N 3.38Å; P259-T262 PolarHBondContact O-N 2.99Å
260	E	83.6	Confident	86.6	Confident	25 Å²	25	50.4 Å²	50.4	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-72.2	-16.7	-176.8	-172.8	56.7	-165.5	0	0	113.9	L168 M254 D258 T262 N263 V264	L168-E260 VanDerWaalsContact CB-OE1 3.29Å; L168-E260 WeakPolarHBondContact CB-OE1 3.48Å; L168-E260 WeakPolarHBondContact CG-OE1 3.24Å; L168-E260 PolarHBondContact N-OE1 3.13Å; M254-E260 HydrophobicContact CE-CB 4.09Å; M254-E260 HydrophobicContact CE-CG 3.74Å; M254-E260 HydrophobicContact SD-CB 4.43Å; M254-E260 HydrophobicContact SD-CG 4.42Å; D258-E260 PolarHBondContact O-N 3.23Å; D258-E260 VanDerWaalsContact O-N 3.13Å; E260-T262 PolarHBondContact O-N 3.11Å; E260-T262 VanDerWaalsContact O-N 3.15Å; E260-N263 PolarHBondContact O-N 3.31Å; E260-N263 VanDerWaalsContact O-N 3.08Å; E260-N263 WeakPolarHBondContact OE2-CB 3.46Å; E260-N263 PolarHBondContact OE2-ND2 3.21Å; E260-V264 HydrophobicContact CG-CG2 3.95Å; E260-V264 WeakPolarHBondContact O-CG2 3.46Å; E260-V264 PolarHBondContact O-N 3.43Å
261	Y	86.6	Confident	86.8	Confident	63 Å²	63	50.4 Å²	50.4	25%	0.247	29%	0.291	C	S	.	.	H	α-helix	trans	-58.3	-31.1	175.7	179.3	-92.2	0	0	0	112.2	K251 M254 L255 P256 D258 P259 T265	K251-Y261 HydrophobicContact CD-CE2 4.31Å; K251-Y261 VanDerWaalsContact CE-OH 3.27Å; K251-Y261 WeakPolarHBondContact CE-OH 3.37Å; K251-Y261 HydrophobicContact CG-CD2 4.2Å; K251-Y261 HydrophobicContact CG-CE2 3.74Å; M254-Y261 HydrophobicContact CB-CD2 4.09Å; L255-Y261 WeakPolarHBondContact O-CB 3.36Å; P256-Y261 HydrophobicContact CB-CD1 4.32Å; P256-Y261 HydrophobicContact CB-CE1 4.11Å; P256-Y261 HydrophobicContact CG-CE1 4.43Å; D258-Y261 VanDerWaalsContact O-CB 3.24Å; D258-Y261 WeakPolarHBondContact O-CB 3.48Å; D258-Y261 PolarHBondContact O-N 2.71Å; P259-Y261 VanDerWaalsContact C-N 3.29Å; P259-Y261 PolarHBondContact O-N 3.38Å; Y261-T265 WeakPolarHBondContact O-CB 3.21Å; Y261-T265 PolarHBondContact O-N 3.27Å; Y261-T265 PolarHBondContact O-OG1 3.27Å
262	T	87.5	Confident	87.1	Confident	96 Å²	96	51.7 Å²	51.7	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-67	-48.9	175.3	-54.6	0	0	0	0	111.1	P259 E260 T265 K266	P259-T262 PolarHBondContact O-N 2.99Å; E260-T262 PolarHBondContact O-N 3.11Å; E260-T262 VanDerWaalsContact O-N 3.15Å; T262-T265 PolarHBondContact O-N 3.05Å; T262-K266 WeakPolarHBondContact O-CB 3.39Å; T262-K266 PolarHBondContact O-N 3.3Å
263	N	88.2	Confident	87.4	Confident	53 Å²	53	52.1 Å²	52.1	28%	0.283	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-47.2	179.5	-72.1	-22.6	0	0	0	111.5	T173 E260 T265 K266 A267	T173-N263 HydrophobicContact CG2-CB 3.86Å; E260-N263 PolarHBondContact O-N 3.31Å; E260-N263 VanDerWaalsContact O-N 3.08Å; E260-N263 WeakPolarHBondContact OE2-CB 3.46Å; E260-N263 PolarHBondContact OE2-ND2 3.21Å; N263-T265 VanDerWaalsContact C-N 3.33Å; N263-T265 PolarHBondContact O-N 3.39Å; N263-K266 WeakPolarHBondContact O-CB 3.4Å; N263-K266 PolarHBondContact O-N 3.15Å; N263-A267 WeakPolarHBondContact O-CB 3.48Å; N263-A267 PolarHBondContact O-N 2.6Å
264	V	89.9	Confident	87.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-40.7	175.7	171.5	0	0	0	0	111.8	L168 I247 L250 K251 M254 E260 W268	L168-V264 HydrophobicContact CD1-CB 4.23Å; L168-V264 HydrophobicContact CD1-CG2 3.66Å; L168-V264 HydrophobicContact CG-CG2 3.85Å; I247-V264 HydrophobicContact CG2-CG1 3.84Å; L250-V264 HydrophobicContact CD2-CG2 4.04Å; L250-V264 HydrophobicContact CG-CG2 4.43Å; K251-V264 HydrophobicContact CB-CG1 3.6Å; K251-V264 HydrophobicContact CG-CG1 4.21Å; M254-V264 HydrophobicContact CE-CG2 4.03Å; M254-V264 HydrophobicContact SD-CB 4.38Å; M254-V264 HydrophobicContact SD-CG2 3.91Å; E260-V264 HydrophobicContact CG-CG2 3.95Å; E260-V264 WeakPolarHBondContact O-CG2 3.46Å; E260-V264 PolarHBondContact O-N 3.43Å; V264-W268 WeakPolarHBondContact O-CB 3.39Å; V264-W268 PolarHBondContact O-N 2.98Å
265	T	91.7	Very high	88.4	Confident	27 Å²	27	51.2 Å²	51.2	17%	0.166	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-40.6	175.6	-65.9	0	0	0	0	112.3	K251 Y261 T262 N263 W268 N269	K251-T265 VanDerWaalsContact CE-OG1 3.25Å; K251-T265 WeakPolarHBondContact CE-OG1 3.26Å; K251-T265 PolarHBondContact NZ-OG1 2.57Å; Y261-T265 WeakPolarHBondContact O-CB 3.21Å; Y261-T265 PolarHBondContact O-N 3.27Å; Y261-T265 PolarHBondContact O-OG1 3.27Å; T262-T265 PolarHBondContact O-N 3.05Å; N263-T265 VanDerWaalsContact C-N 3.33Å; N263-T265 PolarHBondContact O-N 3.39Å; T265-W268 PolarHBondContact O-N 3.49Å; T265-N269 WeakPolarHBondContact O-CB 3.5Å; T265-N269 VanDerWaalsContact O-CG 3.29Å; T265-N269 PolarHBondContact O-N 2.98Å
266	K	92	Very high	89.2	Confident	65 Å²	65	49.9 Å²	49.9	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-49.4	176.6	-176.9	-170.7	-179.3	-168.6	0	111.4	T173 D175 M178 T262 N263 W268 N269 F270	T173-K266 PolarHBondContact O-NZ 2.92Å; D175-K266 WeakPolarHBondContact OD1-CE 3.44Å; D175-K266 IonicContact OD1-NZ 2.64Å; D175-K266 PolarHBondContact OD1-NZ 3.4Å; D175-K266 IonicContact OD2-NZ 3.39Å; D175-K266 PolarHBondContact OD2-NZ 3.21Å; M178-K266 HydrophobicContact CE-CG 4.33Å; T262-K266 WeakPolarHBondContact O-CB 3.39Å; T262-K266 PolarHBondContact O-N 3.3Å; N263-K266 WeakPolarHBondContact O-CB 3.4Å; N263-K266 PolarHBondContact O-N 3.15Å; K266-W268 PolarHBondContact O-N 2.9Å; K266-N269 PolarHBondContact O-N 3.46Å; K266-F270 PolarHBondContact O-N 2.96Å
267	A	92	Very high	89.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-47.1	176.3	0	0	0	0	0	112.1	L168 F172 I247 N263 F270 I271	L168-A267 HydrophobicContact CD1-CB 3.79Å; F172-A267 HydrophobicContact CB-CB 4.06Å; F172-A267 WeakPolarHBondContact O-CB 3.46Å; I247-A267 HydrophobicContact CD1-CB 4.33Å; I247-A267 HydrophobicContact CG2-CB 4.26Å; N263-A267 WeakPolarHBondContact O-CB 3.48Å; N263-A267 PolarHBondContact O-N 2.6Å; A267-F270 PolarHBondContact O-N 3.09Å; A267-I271 WeakPolarHBondContact O-CG1 3.4Å; A267-I271 PolarHBondContact O-N 3.26Å
268	W	94.2	Very high	90.5	Very high	59 Å²	59	45.5 Å²	45.5	22%	0.223	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-47.2	179.3	-178.5	80.9	0	0	0	112.5	I247 Y248 V264 T265 K266 F270 I271 K272	I247-W268 HydrophobicContact CG2-CB 3.97Å; Y248-W268 HydrophobicContact CD2-CD2 4.43Å; Y248-W268 AromaticContact CD2-CE2 3.69Å; Y248-W268 AromaticContact CD2-CZ2 3.92Å; Y248-W268 HydrophobicContact CD2-CZ2 3.92Å; Y248-W268 AromaticContact CD2-NE1 3.51Å; Y248-W268 HydrophobicContact CE2-CZ2 4.21Å; Y248-W268 AromaticContact CG-NE1 3.89Å; V264-W268 WeakPolarHBondContact O-CB 3.39Å; V264-W268 PolarHBondContact O-N 2.98Å; T265-W268 PolarHBondContact O-N 3.49Å; K266-W268 PolarHBondContact O-N 2.9Å; W268-F270 PolarHBondContact O-N 3.28Å; W268-I271 PolarHBondContact O-N 2.85Å; W268-K272 HydrophobicContact CH2-CD 4.13Å; W268-K272 HydrophobicContact CZ3-CD 4.3Å; W268-K272 VanDerWaalsContact O-CB 3.31Å; W268-K272 WeakPolarHBondContact O-CB 3.48Å; W268-K272 PolarHBondContact O-N 2.89Å
269	N	94.3	Very high	91.2	Very high	68 Å²	68	48.3 Å²	48.3	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-57.8	-48.4	175.7	-76.8	-14.8	0	0	0	110.7	T265 K266 I271 K272 D273	T265-N269 WeakPolarHBondContact O-CB 3.5Å; T265-N269 VanDerWaalsContact O-CG 3.29Å; T265-N269 PolarHBondContact O-N 2.98Å; K266-N269 PolarHBondContact O-N 3.46Å; N269-I271 PolarHBondContact O-N 3.32Å; N269-K272 WeakPolarHBondContact O-CB 3.34Å; N269-K272 PolarHBondContact O-N 2.79Å; N269-D273 WeakPolarHBondContact O-CB 3.2Å; N269-D273 PolarHBondContact O-N 3.42Å
270	F	94	Very high	91.8	Very high	38 Å²	38	49.5 Å²	49.5	17%	0.167	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-44.7	-178.5	-179	-83.4	0	0	0	113	M178 L181 K266 A267 W268 D273 L274	M178-F270 HydrophobicContact CE-CB 3.94Å; M178-F270 HydrophobicContact CE-CD2 3.75Å; M178-F270 HydrophobicContact CE-CE2 4.44Å; M178-F270 HydrophobicContact CE-CG 3.85Å; M178-F270 HydrophobicContact CG-CB 4.17Å; M178-F270 HydrophobicContact CG-CD1 3.35Å; M178-F270 HydrophobicContact CG-CD2 3.98Å; M178-F270 HydrophobicContact CG-CE1 3.63Å; M178-F270 HydrophobicContact CG-CE2 4.2Å; M178-F270 HydrophobicContact CG-CG 3.55Å; M178-F270 HydrophobicContact CG-CZ 4.04Å; M178-F270 WeakPolarHBondContact O-CE1 3.23Å; M178-F270 WeakPolarHBondContact O-CZ 3.23Å; M178-F270 HydrophobicContact SD-CB 3.44Å; M178-F270 WeakPolarHBondContact SD-CB 3.38Å; M178-F270 HydrophobicContact SD-CD1 3.85Å; M178-F270 HydrophobicContact SD-CD2 4.03Å; M178-F270 HydrophobicContact SD-CG 3.5Å; M178-F270 WeakPolarHBondContact SD-CG 3.22Å; L181-F270 HydrophobicContact CB-CE1 4.17Å; L181-F270 HydrophobicContact CD1-CD1 4.37Å; L181-F270 HydrophobicContact CD1-CE1 4.18Å; K266-F270 PolarHBondContact O-N 2.96Å; A267-F270 PolarHBondContact O-N 3.09Å; W268-F270 PolarHBondContact O-N 3.28Å; F270-D273 PolarHBondContact O-N 3.4Å; F270-L274 HydrophobicContact CE1-CB 4.38Å; F270-L274 HydrophobicContact CE1-CD2 4.01Å; F270-L274 VanDerWaalsContact O-CB 3.26Å; F270-L274 WeakPolarHBondContact O-CB 3.27Å; F270-L274 PolarHBondContact O-N 3.02Å
271	I	93.7	Very high	91.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-38.1	-179.7	-65.2	170.7	0	0	0	110.8	F172 L181 L240 K244 I247 A267 W268 N269 L274 L275	F172-I271 HydrophobicContact CD1-CD1 3.95Å; F172-I271 HydrophobicContact CE1-CD1 3.88Å; L181-I271 HydrophobicContact CD1-CG1 4.19Å; L240-I271 HydrophobicContact CB-CG2 4.12Å; L240-I271 HydrophobicContact CD2-CG2 4.27Å; L240-I271 WeakPolarHBondContact O-CG2 3.43Å; K244-I271 HydrophobicContact CB-CG2 3.96Å; I247-I271 HydrophobicContact CD1-CD1 3.73Å; A267-I271 WeakPolarHBondContact O-CG1 3.4Å; A267-I271 PolarHBondContact O-N 3.26Å; W268-I271 PolarHBondContact O-N 2.85Å; N269-I271 PolarHBondContact O-N 3.32Å; I271-L274 PolarHBondContact O-N 2.85Å; I271-L275 HydrophobicContact CG2-CD1 4.28Å; I271-L275 WeakPolarHBondContact O-CG 3.17Å; I271-L275 PolarHBondContact O-N 3.38Å
272	K	95	Very high	92.1	Very high	64 Å²	64	50.4 Å²	50.4	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-56.6	-57.2	169.5	178.2	-157	152.6	-62.3	0	110.1	K244 W268 N269 L274 L275 D276	K244-K272 HydrophobicContact CD-CB 3.93Å; K244-K272 HydrophobicContact CD-CG 4.46Å; W268-K272 HydrophobicContact CH2-CD 4.13Å; W268-K272 HydrophobicContact CZ3-CD 4.3Å; W268-K272 VanDerWaalsContact O-CB 3.31Å; W268-K272 WeakPolarHBondContact O-CB 3.48Å; W268-K272 PolarHBondContact O-N 2.89Å; N269-K272 WeakPolarHBondContact O-CB 3.34Å; N269-K272 PolarHBondContact O-N 2.79Å; K272-L274 PolarHBondContact O-N 2.83Å; K272-L275 WeakPolarHBondContact O-CB 3.16Å; K272-L275 PolarHBondContact O-N 2.79Å; K272-D276 IonicContact NZ-OD2 3.16Å; K272-D276 PolarHBondContact NZ-OD2 3.17Å; K272-D276 PolarHBondContact O-N 2.95Å
273	D	94.8	Very high	92.2	Very high	74 Å²	74	48.2 Å²	48.2	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-67.5	-20.9	-176.2	-62	-13.8	0	0	0	112.8	N269 F270 R277	N269-D273 WeakPolarHBondContact O-CB 3.2Å; N269-D273 PolarHBondContact O-N 3.42Å; F270-D273 PolarHBondContact O-N 3.4Å; D273-R277 VanDerWaalsContact O-CB 3.23Å; D273-R277 WeakPolarHBondContact O-CB 3.39Å; D273-R277 WeakPolarHBondContact O-CG 3.41Å; D273-R277 PolarHBondContact O-N 3.36Å; D273-R277 VanDerWaalsContact O-N 3.13Å; D273-R277 PolarHBondContact O-NE 3.31Å
274	L	93.9	Very high	92	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-74.1	-42.8	168.9	173.8	57.6	0	0	0	112.5	L181 K185 L240 F270 I271 K272 R277 S278	L181-L274 HydrophobicContact CB-CD2 3.77Å; L181-L274 WeakPolarHBondContact O-CD2 3.25Å; K185-L274 HydrophobicContact CB-CD1 4.33Å; L240-L274 HydrophobicContact CD1-CD2 3.55Å; L240-L274 HydrophobicContact CD1-CG 3.93Å; F270-L274 HydrophobicContact CE1-CB 4.38Å; F270-L274 HydrophobicContact CE1-CD2 4.01Å; F270-L274 VanDerWaalsContact O-CB 3.26Å; F270-L274 WeakPolarHBondContact O-CB 3.27Å; F270-L274 PolarHBondContact O-N 3.02Å; I271-L274 PolarHBondContact O-N 2.85Å; K272-L274 PolarHBondContact O-N 2.83Å; L274-R277 VanDerWaalsContact CA-NH2 3.33Å; L274-S278 WeakPolarHBondContact O-CB 3.44Å; L274-S278 PolarHBondContact O-N 3.17Å; L274-S278 VanDerWaalsContact O-N 3.09Å; L274-S278 PolarHBondContact O-OG 3.38Å
275	L	95.2	Very high	91.9	Very high	21 Å²	21	51.9 Å²	51.9	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-50.6	173.6	-75.3	166.9	0	0	0	110.4	L188 L240 K244 I271 K272 R277 S278 E279	L188-L275 HydrophobicContact CD1-CD2 4.35Å; L240-L275 HydrophobicContact CB-CD1 4.31Å; L240-L275 HydrophobicContact CB-CD2 3.83Å; L240-L275 HydrophobicContact CB-CG 4.12Å; L240-L275 HydrophobicContact CD1-CD2 4.43Å; K244-L275 HydrophobicContact CB-CD1 4.45Å; K244-L275 HydrophobicContact CD-CD1 3.97Å; I271-L275 HydrophobicContact CG2-CD1 4.28Å; I271-L275 WeakPolarHBondContact O-CG 3.17Å; I271-L275 PolarHBondContact O-N 3.38Å; K272-L275 WeakPolarHBondContact O-CB 3.16Å; K272-L275 PolarHBondContact O-N 2.79Å; L275-R277 VanDerWaalsContact C-N 3.35Å; L275-R277 PolarHBondContact O-N 3.39Å; L275-S278 WeakPolarHBondContact O-CA 3.35Å; L275-S278 WeakPolarHBondContact O-CB 3.49Å; L275-S278 PolarHBondContact O-N 3.02Å; L275-E279 PolarHBondContact O-N 2.99Å
276	D	94.1	Very high	91.7	Very high	56 Å²	56	56 Å²	56	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-44.4	179.9	-57.2	0.1	0	0	0	111.1	K272 S278 E279 Q280	K272-D276 IonicContact NZ-OD2 3.16Å; K272-D276 PolarHBondContact NZ-OD2 3.17Å; K272-D276 PolarHBondContact O-N 2.95Å; D276-S278 PolarHBondContact O-N 2.97Å; D276-E279 PolarHBondContact O-N 2.87Å; D276-Q280 WeakPolarHBondContact O-CG 3.4Å; D276-Q280 PolarHBondContact O-N 2.87Å; D276-Q280 VanDerWaalsContact O-N 3.09Å
277	R	91.2	Very high	91.5	Very high	98 Å²	98	57.8 Å²	57.8	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-20.2	173.7	-78.4	-179.9	-59.7	128.8	-4.4	114.8	N182 K185 D273 L274 L275	N182-R277 PolarHBondContact OD1-NH1 2.84Å; N182-R277 PolarHBondContact OD1-NH2 3.18Å; K185-R277 WeakPolarHBondContact CE-O 3.28Å; K185-R277 PolarHBondContact NZ-O 3.32Å; D273-R277 VanDerWaalsContact O-CB 3.23Å; D273-R277 WeakPolarHBondContact O-CB 3.39Å; D273-R277 WeakPolarHBondContact O-CG 3.41Å; D273-R277 PolarHBondContact O-N 3.36Å; D273-R277 VanDerWaalsContact O-N 3.13Å; D273-R277 PolarHBondContact O-NE 3.31Å; L274-R277 VanDerWaalsContact CA-NH2 3.33Å; L275-R277 VanDerWaalsContact C-N 3.35Å; L275-R277 PolarHBondContact O-N 3.39Å
278	S	92.6	Very high	91.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-87.3	-40.2	177.9	-57.4	0	0	0	0	110.7	L274 L275 D276 E281 I282	L274-S278 WeakPolarHBondContact O-CB 3.44Å; L274-S278 PolarHBondContact O-N 3.17Å; L274-S278 VanDerWaalsContact O-N 3.09Å; L274-S278 PolarHBondContact O-OG 3.38Å; L275-S278 WeakPolarHBondContact O-CA 3.35Å; L275-S278 WeakPolarHBondContact O-CB 3.49Å; L275-S278 PolarHBondContact O-N 3.02Å; D276-S278 PolarHBondContact O-N 2.97Å; S278-E281 WeakPolarHBondContact O-CB 3.08Å; S278-E281 PolarHBondContact O-N 2.9Å; S278-I282 WeakPolarHBondContact O-CG1 3.45Å; S278-I282 PolarHBondContact O-N 3.49Å
279	E	91.9	Very high	91	Very high	112 Å²	112	60.9 Å²	60.9	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-47.7	172.7	-178.1	174	-156.9	0	0	111.8	L275 D276 E281 I282 I283	L275-E279 PolarHBondContact O-N 2.99Å; D276-E279 PolarHBondContact O-N 2.87Å; E279-E281 PolarHBondContact O-N 3.26Å; E279-I282 PolarHBondContact O-N 2.88Å; E279-I282 VanDerWaalsContact O-N 3.15Å; E279-I283 HydrophobicContact CG-CD1 3.9Å; E279-I283 WeakPolarHBondContact O-CG1 3.28Å; E279-I283 PolarHBondContact O-N 3.25Å
280	Q	90.6	Very high	90.8	Very high	120 Å²	120	61.1 Å²	61.1	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-29.7	177.1	-65.2	-56.9	-46.2	0	0	113.2	D276 L284	D276-Q280 WeakPolarHBondContact O-CG 3.4Å; D276-Q280 PolarHBondContact O-N 2.87Å; D276-Q280 VanDerWaalsContact O-N 3.09Å; Q280-L284 VanDerWaalsContact O-CB 3.28Å; Q280-L284 WeakPolarHBondContact O-CB 3.3Å; Q280-L284 PolarHBondContact O-N 3.33Å
281	E	87	Confident	90.7	Very high	57 Å²	57	59.3 Å²	59.3	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-72.3	-41.7	174.2	-178.7	75.9	-139.1	0	0	111.8	K185 C189 S278 E279 L284 Q285	K185-E281 WeakPolarHBondContact CE-OE2 3.33Å; K185-E281 IonicContact NZ-OE2 3.74Å; K185-E281 PolarHBondContact NZ-OE2 3.4Å; C189-E281 WeakPolarHBondContact SG-CG 3.24Å; S278-E281 WeakPolarHBondContact O-CB 3.08Å; S278-E281 PolarHBondContact O-N 2.9Å; E279-E281 PolarHBondContact O-N 3.26Å; E281-L284 PolarHBondContact O-N 2.91Å; E281-Q285 WeakPolarHBondContact O-CG 3.34Å; E281-Q285 PolarHBondContact O-N 3.37Å; E281-Q285 PolarHBondContact OE1-NE2 3.47Å
282	I	91.1	Very high	90.5	Very high	50 Å²	50	65.5 Å²	65.5	26%	0.256	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-48.6	175.5	-68.4	161.6	0	0	0	110	L188 A192 S278 E279 L284 Q285 E286	L188-I282 HydrophobicContact CB-CD1 4.38Å; A192-I282 HydrophobicContact CB-CD1 4.01Å; A192-I282 HydrophobicContact CB-CG1 4.06Å; A192-I282 HydrophobicContact CB-CG2 3.8Å; S278-I282 WeakPolarHBondContact O-CG1 3.45Å; S278-I282 PolarHBondContact O-N 3.49Å; E279-I282 PolarHBondContact O-N 2.88Å; E279-I282 VanDerWaalsContact O-N 3.15Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 2.55Å; I282-Q285 PolarHBondContact O-N 3.29Å; I282-E286 PolarHBondContact O-N 3.26Å
283	I	88	Confident	90.3	Very high	50 Å²	50	68 Å²	68	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-38.1	176.6	-65.9	166.5	0	0	0	111.3	E279 K287	E279-I283 HydrophobicContact CG-CD1 3.9Å; E279-I283 WeakPolarHBondContact O-CG1 3.28Å; E279-I283 PolarHBondContact O-N 3.25Å; I283-K287 HydrophobicContact CG2-CD 4.1Å; I283-K287 WeakPolarHBondContact O-CB 3.45Å; I283-K287 VanDerWaalsContact O-CG 3.29Å; I283-K287 WeakPolarHBondContact O-CG 3.21Å; I283-K287 PolarHBondContact O-N 3.3Å
284	L	85.8	Confident	90.2	Very high	62 Å²	62	64.4 Å²	64.4	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-67.7	-41.4	175.9	-179	61.2	0	0	0	112	Q280 E281 I282 K287 M288 L310	Q280-L284 VanDerWaalsContact O-CB 3.28Å; Q280-L284 WeakPolarHBondContact O-CB 3.3Å; Q280-L284 PolarHBondContact O-N 3.33Å; E281-L284 PolarHBondContact O-N 2.91Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 2.55Å; L284-K287 PolarHBondContact O-N 3.16Å; L284-M288 HydrophobicContact CD1-CE 4.05Å; L284-M288 HydrophobicContact CD1-CG 4.48Å; L284-M288 HydrophobicContact CD2-CE 4.27Å; L284-M288 HydrophobicContact CG-CE 4.07Å; L284-M288 WeakPolarHBondContact O-CB 3.29Å; L284-M288 WeakPolarHBondContact O-CG 3.47Å; L284-M288 PolarHBondContact O-N 2.9Å; L284-L310 HydrophobicContact CD1-CD1 3.83Å; L284-L310 HydrophobicContact CD1-CD2 4.11Å
285	Q	86.1	Confident	90	Very high	68 Å²	68	66 Å²	66	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-37.8	178.2	-72.3	177.5	23.7	0	0	111.9	E281 I282 M288 S289	E281-Q285 WeakPolarHBondContact O-CG 3.34Å; E281-Q285 PolarHBondContact O-N 3.37Å; E281-Q285 PolarHBondContact OE1-NE2 3.47Å; I282-Q285 PolarHBondContact O-N 3.29Å; Q285-M288 PolarHBondContact O-N 3.35Å; Q285-S289 PolarHBondContact O-N 2.74Å
286	E	87.4	Confident	89.8	Confident	114 Å²	114	67.6 Å²	67.6	53%	0.533	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-51.9	170.6	-174.9	-178.9	-172.6	0	0	111.4	I282 M288 S289 N290	I282-E286 PolarHBondContact O-N 3.26Å; E286-M288 VanDerWaalsContact C-N 3.28Å; E286-M288 PolarHBondContact O-N 3.45Å; E286-S289 WeakPolarHBondContact O-CA 3.01Å; E286-S289 VanDerWaalsContact O-CB 3.23Å; E286-S289 WeakPolarHBondContact O-CB 3.41Å; E286-S289 PolarHBondContact O-N 2.75Å; E286-N290 PolarHBondContact O-N 2.8Å; E286-N290 PolarHBondContact O-OD1 3.05Å
287	K	88.3	Confident	89.7	Confident	101 Å²	101	67.5 Å²	67.5	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-38	176.5	-72.8	173	-179.9	178.4	0	112.7	I283 L284 S289 A291 L310	I283-K287 HydrophobicContact CG2-CD 4.1Å; I283-K287 WeakPolarHBondContact O-CB 3.45Å; I283-K287 VanDerWaalsContact O-CG 3.29Å; I283-K287 WeakPolarHBondContact O-CG 3.21Å; I283-K287 PolarHBondContact O-N 3.3Å; L284-K287 PolarHBondContact O-N 3.16Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-A291 VanDerWaalsContact O-CB 3.28Å; K287-A291 WeakPolarHBondContact O-CB 3.34Å; K287-A291 PolarHBondContact O-N 3.08Å; K287-L310 HydrophobicContact CB-CD2 4.18Å
288	M	87.2	Confident	89.7	Confident	59 Å²	59	63.5 Å²	63.5	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-30.1	172.3	-73.9	-168.3	-178.1	0	0	113	L284 Q285 E286 R292 L310	L284-M288 HydrophobicContact CD1-CE 4.05Å; L284-M288 HydrophobicContact CD1-CG 4.48Å; L284-M288 HydrophobicContact CD2-CE 4.27Å; L284-M288 HydrophobicContact CG-CE 4.07Å; L284-M288 WeakPolarHBondContact O-CB 3.29Å; L284-M288 WeakPolarHBondContact O-CG 3.47Å; L284-M288 PolarHBondContact O-N 2.9Å; Q285-M288 PolarHBondContact O-N 3.35Å; E286-M288 VanDerWaalsContact C-N 3.28Å; E286-M288 PolarHBondContact O-N 3.45Å; M288-R292 VanDerWaalsContact O-CG 3.28Å; M288-R292 WeakPolarHBondContact O-CG 3.41Å; M288-R292 PolarHBondContact O-N 2.89Å; M288-R292 VanDerWaalsContact O-N 3.1Å; M288-R292 PolarHBondContact O-NH1 2.88Å; M288-L310 HydrophobicContact CG-CD2 3.75Å
289	S	88.9	Confident	89.6	Confident	65 Å²	65	65.7 Å²	65.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-51.8	173.5	-161.5	0	0	0	0	110.4	Q285 E286 K287 A291 R292 E293	Q285-S289 PolarHBondContact O-N 2.74Å; E286-S289 WeakPolarHBondContact O-CA 3.01Å; E286-S289 VanDerWaalsContact O-CB 3.23Å; E286-S289 WeakPolarHBondContact O-CB 3.41Å; E286-S289 PolarHBondContact O-N 2.75Å; K287-S289 VanDerWaalsContact C-N 3.35Å; S289-A291 VanDerWaalsContact C-N 3.3Å; S289-A291 PolarHBondContact O-N 3.29Å; S289-R292 WeakPolarHBondContact O-CB 3.45Å; S289-R292 PolarHBondContact O-N 2.85Å; S289-E293 PolarHBondContact O-N 3.5Å
290	N	90.5	Very high	89.3	Confident	74 Å²	74	62.7 Å²	62.7	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-39.5	-179.5	-58.7	-4.8	0	0	0	110.9	E286 E293 A294	E286-N290 PolarHBondContact O-N 2.8Å; E286-N290 PolarHBondContact O-OD1 3.05Å; N290-E293 PolarHBondContact O-N 2.68Å; N290-A294 PolarHBondContact O-N 3.3Å
291	A	90.7	Very high	88.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-40.6	173	0	0	0	0	0	113.4	K287 S289 L295 I308 P309 L311	K287-A291 VanDerWaalsContact O-CB 3.28Å; K287-A291 WeakPolarHBondContact O-CB 3.34Å; K287-A291 PolarHBondContact O-N 3.08Å; S289-A291 VanDerWaalsContact C-N 3.3Å; S289-A291 PolarHBondContact O-N 3.29Å; A291-L295 WeakPolarHBondContact O-CB 3.43Å; A291-L295 WeakPolarHBondContact O-CD1 3.42Å; A291-L295 VanDerWaalsContact O-CG 3.23Å; A291-L295 WeakPolarHBondContact O-CG 3.43Å; A291-L295 PolarHBondContact O-N 3.39Å; A291-I308 HydrophobicContact CB-CG2 3.79Å; A291-P309 WeakPolarHBondContact CB-O 3.33Å; A291-L311 HydrophobicContact CB-CB 4.25Å
292	R	90.1	Very high	88.4	Confident	130 Å²	130	66.7 Å²	66.7	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-41.2	173.5	-75.1	176.7	-165.4	101	1	111.7	M288 S289 L295 G296 I308	M288-R292 VanDerWaalsContact O-CG 3.28Å; M288-R292 WeakPolarHBondContact O-CG 3.41Å; M288-R292 PolarHBondContact O-N 2.89Å; M288-R292 VanDerWaalsContact O-N 3.1Å; M288-R292 PolarHBondContact O-NH1 2.88Å; S289-R292 WeakPolarHBondContact O-CB 3.45Å; S289-R292 PolarHBondContact O-N 2.85Å; R292-L295 PolarHBondContact O-N 3.22Å; R292-G296 PolarHBondContact O-N 3.37Å; R292-I308 HydrophobicContact CG-CD1 3.75Å; R292-I308 VanDerWaalsContact NE-CD1 3.34Å
293	E	91.9	Very high	87.5	Confident	115 Å²	115	66.4 Å²	66.4	54%	0.537	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-47.6	178.3	-160	-159.7	116	0	0	111.1	S289 N290 G296 K297	S289-E293 PolarHBondContact O-N 3.5Å; N290-E293 PolarHBondContact O-N 2.68Å; E293-G296 PolarHBondContact O-N 2.93Å; E293-G296 VanDerWaalsContact O-N 3.17Å; E293-K297 WeakPolarHBondContact O-CG 3.25Å; E293-K297 PolarHBondContact O-N 3.5Å; E293-K297 WeakPolarHBondContact OE1-CE 3.49Å; E293-K297 IonicContact OE1-NZ 3.77Å; E293-K297 PolarHBondContact OE1-NZ 3.29Å
294	A	91.9	Very high	86.6	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-46.6	175.6	0	0	0	0	0	112.4	N290 G296 K297 L298 L311 F335 F337	N290-A294 PolarHBondContact O-N 3.3Å; A294-G296 VanDerWaalsContact C-N 3.28Å; A294-G296 PolarHBondContact O-N 2.88Å; A294-K297 WeakPolarHBondContact O-CB 3.21Å; A294-K297 PolarHBondContact O-N 3.06Å; A294-K297 VanDerWaalsContact O-N 3.08Å; A294-L298 WeakPolarHBondContact O-CG 3.49Å; A294-L311 HydrophobicContact CB-CD1 4.29Å; A294-L311 HydrophobicContact CB-CD2 3.92Å; A294-F335 HydrophobicContact CB-CD1 4.09Å; A294-F335 HydrophobicContact CB-CE1 4.31Å; A294-F337 HydrophobicContact CB-CE1 4.33Å; A294-F337 HydrophobicContact CB-CZ 4.05Å
295	L	90.7	Very high	85.8	Confident	34 Å²	34	73.3 Å²	73.3	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-35.5	174.7	-70.8	167.6	0	0	0	112.4	A291 R292 K297 L298 L301 Y305 I308 F337	A291-L295 WeakPolarHBondContact O-CB 3.43Å; A291-L295 WeakPolarHBondContact O-CD1 3.42Å; A291-L295 VanDerWaalsContact O-CG 3.23Å; A291-L295 WeakPolarHBondContact O-CG 3.43Å; A291-L295 PolarHBondContact O-N 3.39Å; R292-L295 PolarHBondContact O-N 3.22Å; L295-K297 PolarHBondContact O-N 2.74Å; L295-L298 HydrophobicContact CD2-CD1 4.34Å; L295-L298 PolarHBondContact O-N 2.82Å; L295-L301 HydrophobicContact CD2-CD1 3.86Å; L295-Y305 HydrophobicContact CD2-CE2 3.94Å; L295-I308 HydrophobicContact CD1-CG2 3.98Å; L295-F337 HydrophobicContact CD2-CE1 4.15Å; L295-F337 HydrophobicContact CD2-CE2 4.45Å; L295-F337 HydrophobicContact CD2-CZ 3.88Å; L295-F337 HydrophobicContact CG-CE1 3.99Å; L295-F337 HydrophobicContact CG-CZ 4.03Å
296	G	90.1	Very high	84.8	Confident	54 Å²	54	77 Å²	77	56%	0.557	39%	0.392	S	S	*	.	H	α-helix	trans	-66.8	-18.6	174.9	0	0	0	0	0	114.8	R292 E293 A294	R292-G296 PolarHBondContact O-N 3.37Å; E293-G296 PolarHBondContact O-N 2.93Å; E293-G296 VanDerWaalsContact O-N 3.17Å; A294-G296 VanDerWaalsContact C-N 3.28Å; A294-G296 PolarHBondContact O-N 2.88Å
297	K	91.2	Very high	84.1	Confident	54 Å²	54	78.6 Å²	78.6	24%	0.235	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.7	174.8	-61.7	165.1	-168.6	166	0	113.2	E293 A294 L295 R352 Y353	E293-K297 WeakPolarHBondContact O-CG 3.25Å; E293-K297 PolarHBondContact O-N 3.5Å; E293-K297 WeakPolarHBondContact OE1-CE 3.49Å; E293-K297 IonicContact OE1-NZ 3.77Å; E293-K297 PolarHBondContact OE1-NZ 3.29Å; A294-K297 WeakPolarHBondContact O-CB 3.21Å; A294-K297 PolarHBondContact O-N 3.06Å; A294-K297 VanDerWaalsContact O-N 3.08Å; L295-K297 PolarHBondContact O-N 2.74Å; K297-R352 WeakPolarHBondContact O-CA 3.41Å; K297-Y353 HydrophobicContact CB-CD2 3.99Å; K297-Y353 HydrophobicContact CB-CE2 4.38Å; K297-Y353 HydrophobicContact CD-CE2 4.4Å; K297-Y353 PolarHBondContact O-N 3.35Å
298	L	91.9	Very high	83.8	Confident	13 Å²	13	76.6 Å²	76.6	7%	0.068	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.4	-168.6	-72.7	171.3	0	0	0	113.3	A294 L295 L301 F335 F337 V342 T344 V355	A294-L298 WeakPolarHBondContact O-CG 3.49Å; L295-L298 HydrophobicContact CD2-CD1 4.34Å; L295-L298 PolarHBondContact O-N 2.82Å; L298-L301 HydrophobicContact CB-CD1 3.76Å; L298-L301 HydrophobicContact CB-CG 4.05Å; L298-L301 HydrophobicContact CD1-CD1 4.13Å; L298-L301 HydrophobicContact CD1-CD2 4.39Å; L298-F335 HydrophobicContact CD2-CD2 3.78Å; L298-F335 HydrophobicContact CD2-CE2 3.61Å; L298-F335 HydrophobicContact CD2-CZ 4.22Å; L298-F335 HydrophobicContact CG-CE2 4.46Å; L298-F337 HydrophobicContact CD1-CE2 3.93Å; L298-F337 HydrophobicContact CD1-CZ 4.03Å; L298-V342 HydrophobicContact CD1-CG1 4.4Å; L298-V342 HydrophobicContact CD2-CG1 4.16Å; L298-T344 HydrophobicContact CD2-CG2 3.46Å; L298-T344 VanDerWaalsContact CD2-CG2 3.46Å; L298-V355 HydrophobicContact CB-CG2 4.31Å; L298-V355 HydrophobicContact CD2-CG2 3.99Å
299	D	89.6	Confident	83.7	Confident	48 Å²	48	74 Å²	74	26%	0.257	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.2	173.6	-69.5	-45.2	0	0	0	110.9	R352 Y353 Q354 V355	D299-R352 WeakPolarHBondContact OD1-CD 3.49Å; D299-R352 IonicContact OD1-CZ 3.26Å; D299-R352 IonicContact OD1-NH1 2.65Å; D299-R352 PolarHBondContact OD1-NH1 2.95Å; D299-R352 VanDerWaalsContact OD2-CB 3.28Å; D299-R352 WeakPolarHBondContact OD2-CB 3.45Å; D299-R352 WeakPolarHBondContact OD2-CD 3.48Å; D299-Y353 PolarHBondContact N-O 3.34Å; D299-Q354 PolarHBondContact O-NE2 3.49Å; D299-V355 WeakPolarHBondContact O-CG2 3.44Å; D299-V355 PolarHBondContact O-N 3.35Å
300	G	85.5	Confident	83.7	Confident	48 Å²	48	72.9 Å²	72.9	50%	0.495	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	19.4	169.4	0	0	0	0	0	117.2
301	L	83	Confident	83.8	Confident	50 Å²	50	70.8 Å²	70.8	26%	0.262	36%	0.358	S	S	.	.			trans	-56.8	146.5	167.9	-69.9	168.2	0	0	0	111.9	L295 L298 Y305 V342 V355 E358	L295-L301 HydrophobicContact CD2-CD1 3.86Å; L298-L301 HydrophobicContact CB-CD1 3.76Å; L298-L301 HydrophobicContact CB-CG 4.05Å; L298-L301 HydrophobicContact CD1-CD1 4.13Å; L298-L301 HydrophobicContact CD1-CD2 4.39Å; L301-Y305 HydrophobicContact CD1-CE2 4.34Å; L301-V342 HydrophobicContact CD2-CG1 4.28Å; L301-V342 HydrophobicContact CD2-CG2 4.33Å; L301-V355 HydrophobicContact CD2-CG2 3.84Å; L301-V355 HydrophobicContact CG-CG2 4.03Å; L301-E358 HydrophobicContact CD2-CG 4.26Å
302	R	76.9	Confident	83.8	Confident	211 Å²	211	74.7 Å²	74.7	80%	0.796	38%	0.376	S	S	*	.			trans	-115.5	-31.9	-179	-58.8	174.7	179.1	171.7	2.6	112.6	K304 E358	R302-K304 PolarHBondContact O-N 2.9Å; R302-E358 WeakPolarHBondContact CA-OE2 3.22Å; R302-E358 WeakPolarHBondContact CB-OE1 3.23Å; R302-E358 WeakPolarHBondContact CB-OE2 2.95Å; R302-E358 WeakPolarHBondContact CD-OE1 3.28Å; R302-E358 WeakPolarHBondContact CG-OE1 3.39Å; R302-E358 PolarHBondContact N-OE2 3.46Å
303	V	71.3	Confident	84.1	Confident	44 Å²	44	70 Å²	70	27%	0.267	36%	0.361	S	S	.	.			trans	-65.5	126.2	175.9	180	0	0	0	0	109.6	Y305 Y340 E358	V303-Y305 HydrophobicContact CB-CD1 4.41Å; V303-Y305 HydrophobicContact CB-CE1 3.86Å; V303-Y305 HydrophobicContact CG1-CD1 3.62Å; V303-Y305 HydrophobicContact CG1-CE1 3.47Å; V303-Y305 VanDerWaalsContact CG1-CE1 3.47Å; V303-Y305 HydrophobicContact CG1-CG 4.29Å; V303-Y340 HydrophobicContact CG1-CE2 4.12Å; V303-Y340 HydrophobicContact CG2-CE1 4.28Å; V303-E358 PolarHBondContact N-OE2 2.63Å
304	K	69.4	Low	84.2	Confident	198 Å²	198	67.2 Å²	67.2	86%	0.861	35%	0.348	S	S	*	.			trans	-92.5	99.1	168.5	-70.3	-172.6	177.2	-174.6	0	108.6	R302	R302-K304 PolarHBondContact O-N 2.9Å
305	Y	69.7	Low	84.3	Confident	59 Å²	59	67.4 Å²	67.4	23%	0.231	35%	0.35	C	S	.	.			trans	-69.9	138.6	179.4	-47.6	-77.7	0	0	0	111.6	L295 L301 V303 Q307 P309 Y340	L295-Y305 HydrophobicContact CD2-CE2 3.94Å; L301-Y305 HydrophobicContact CD1-CE2 4.34Å; V303-Y305 HydrophobicContact CB-CD1 4.41Å; V303-Y305 HydrophobicContact CB-CE1 3.86Å; V303-Y305 HydrophobicContact CG1-CD1 3.62Å; V303-Y305 HydrophobicContact CG1-CE1 3.47Å; V303-Y305 VanDerWaalsContact CG1-CE1 3.47Å; V303-Y305 HydrophobicContact CG1-CG 4.29Å; Y305-Q307 VanDerWaalsContact CB-O 3.32Å; Y305-Q307 WeakPolarHBondContact CB-O 3.19Å; Y305-P309 HydrophobicContact CD1-CG 3.88Å; Y305-P309 HydrophobicContact CE1-CG 3.97Å; Y305-P309 HydrophobicContact CG-CG 4.36Å; Y305-Y340 HydrophobicContact CD1-CE2 4.21Å; Y305-Y340 AromaticContact CE1-CD2 3.79Å; Y305-Y340 HydrophobicContact CE1-CD2 3.79Å; Y305-Y340 AromaticContact CE1-CE2 3.83Å; Y305-Y340 HydrophobicContact CE1-CE2 3.83Å
306	T	65.6	Low	84.5	Confident	146 Å²	146	69.7 Å²	69.7	90%	0.896	37%	0.367	S	S	*	.	S	Bend	trans	-85.8	-27.5	173.1	50.5	0	0	0	0	112.4
307	Q	71.7	Confident	84.7	Confident	148 Å²	148	67.5 Å²	67.5	69%	0.692	34%	0.343	S	S	*	.	S	Bend	trans	-136.3	155	173.2	-63	-178	-5.1	0	0	107.8	Y305 P309	Y305-Q307 VanDerWaalsContact CB-O 3.32Å; Y305-Q307 WeakPolarHBondContact CB-O 3.19Å; Q307-P309 VanDerWaalsContact O-CD 3.26Å; Q307-P309 WeakPolarHBondContact O-CD 3.44Å
308	I	81.6	Confident	84.7	Confident	59 Å²	59	69.3 Å²	69.3	30%	0.303	35%	0.351	S	S	.	.			trans	-71.6	115	179.1	-64.3	161.3	0	0	0	108.1	A291 R292 L295	A291-I308 HydrophobicContact CB-CG2 3.79Å; R292-I308 HydrophobicContact CG-CD1 3.75Å; R292-I308 VanDerWaalsContact NE-CD1 3.34Å; L295-I308 HydrophobicContact CD1-CG2 3.98Å
309	P	85.6	Confident	84.6	Confident	4 Å²	4	70.2 Å²	70.2	3%	0.026	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-70	141.9	177.1	32.9	-36.8	0	0	0	109.1	A291 Y305 Q307 F337	A291-P309 WeakPolarHBondContact CB-O 3.33Å; Y305-P309 HydrophobicContact CD1-CG 3.88Å; Y305-P309 HydrophobicContact CE1-CG 3.97Å; Y305-P309 HydrophobicContact CG-CG 4.36Å; Q307-P309 VanDerWaalsContact O-CD 3.26Å; Q307-P309 WeakPolarHBondContact O-CD 3.44Å; P309-F337 HydrophobicContact CB-CB 4.12Å; P309-F337 HydrophobicContact CG-CB 4.23Å; P309-F337 HydrophobicContact CG-CD1 4.13Å; P309-F337 HydrophobicContact CG-CG 4.35Å
310	L	89.1	Confident	84.4	Confident	42 Å²	42	68.9 Å²	68.9	22%	0.22	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-76.3	139.9	-176.4	-60.5	-176.3	0	0	0	110.4	L284 K287 M288 H312 F337 S338	L284-L310 HydrophobicContact CD1-CD1 3.83Å; L284-L310 HydrophobicContact CD1-CD2 4.11Å; K287-L310 HydrophobicContact CB-CD2 4.18Å; M288-L310 HydrophobicContact CG-CD2 3.75Å; L310-H312 PolarHBondContact O-CD2 2.95Å; L310-F337 CarbonylContact O-C 3.59Å; L310-F337 WeakPolarHBondContact O-CA 3.36Å; L310-S338 PolarHBondContact N-OG 3.19Å; L310-S338 PolarHBondContact O-N 2.92Å
311	L	93	Very high	83.9	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.157	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.8	171.6	-173.8	74.6	0	0	0	109.3	A291 A294 E314 F335 F337	A291-L311 HydrophobicContact CB-CB 4.25Å; A294-L311 HydrophobicContact CB-CD1 4.29Å; A294-L311 HydrophobicContact CB-CD2 3.92Å; L311-E314 HydrophobicContact CD1-CB 4.48Å; L311-E314 HydrophobicContact CD2-CG 4.36Å; L311-F335 HydrophobicContact CD1-CB 4.19Å; L311-F335 HydrophobicContact CD1-CD1 4.41Å; L311-F337 HydrophobicContact CB-CD1 4.2Å; L311-F337 HydrophobicContact CB-CE1 4.15Å; L311-F337 HydrophobicContact CD1-CD1 4.05Å; L311-F337 HydrophobicContact CD1-CE1 3.79Å; L311-F337 HydrophobicContact CD1-CE2 4.34Å; L311-F337 HydrophobicContact CD1-CG 4.44Å; L311-F337 HydrophobicContact CD1-CZ 3.95Å
312	H	91	Very high	83.1	Confident	82 Å²	82	71.5 Å²	71.5	38%	0.38	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-47.4	174.6	-68.8	-99	0	0	0	111.6	L310 L336 S338	L310-H312 PolarHBondContact O-CD2 2.95Å; H312-L336 HydrophobicContact CB-CD2 4.24Å; H312-L336 HydrophobicContact CB-CG 4.16Å; H312-L336 PolarHBondContact N-O 3.41Å; H312-S338 WeakPolarHBondContact NE2-CA 3.32Å; H312-S338 WeakPolarHBondContact NE2-CB 3.44Å
313	L	94.9	Very high	82.2	Confident	32 Å²	32	68.8 Å²	68.8	17%	0.168	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	140.8	-175.8	-173.4	62.4	0	0	0	110.2	L336 L402 W403 E406	L313-L336 HydrophobicContact CB-CB 4.35Å; L313-L336 PolarHBondContact O-N 3.32Å; L313-L402 HydrophobicContact CD1-CD2 4.35Å; L313-L402 HydrophobicContact CD2-CG 4.2Å; L313-W403 HydrophobicContact CB-CH2 4.3Å; L313-W403 HydrophobicContact CD2-CD2 3.51Å; L313-W403 VanDerWaalsContact CD2-CE2 3.48Å; L313-W403 HydrophobicContact CD2-CE3 3.85Å; L313-W403 HydrophobicContact CD2-CG 3.91Å; L313-W403 HydrophobicContact CD2-CH2 4.07Å; L313-W403 HydrophobicContact CD2-CZ2 3.78Å; L313-W403 HydrophobicContact CD2-CZ3 4.12Å; L313-W403 HydrophobicContact CG-CD2 4.36Å; L313-W403 HydrophobicContact CG-CH2 3.91Å; L313-W403 HydrophobicContact CG-CZ2 3.69Å; L313-W403 HydrophobicContact CG-CZ3 4.37Å; L313-E406 HydrophobicContact CD2-CB 4.14Å; L313-E406 HydrophobicContact CD2-CG 4.09Å
314	E	94.7	Very high	81.2	Confident	55 Å²	55	69.6 Å²	69.6	26%	0.257	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.5	167.1	67.9	166.6	-108	0	0	110.8	L311 Y333 L334 F335	L311-E314 HydrophobicContact CD1-CB 4.48Å; L311-E314 HydrophobicContact CD2-CG 4.36Å; E314-Y333 HydrophobicContact CB-CE1 3.91Å; E314-Y333 HydrophobicContact CG-CE1 4.2Å; E314-Y333 PolarHBondContact OE1-OH 2.94Å; E314-L334 CarbonylContact C-O 3.37Å; E314-L334 WeakPolarHBondContact CA-O 3.34Å; E314-L334 WeakPolarHBondContact CB-O 3.47Å; E314-F335 HydrophobicContact CB-CD1 3.6Å; E314-F335 HydrophobicContact CB-CE1 4.06Å; E314-F335 HydrophobicContact CB-CG 4.25Å; E314-F335 HydrophobicContact CG-CD1 4.37Å; E314-F335 HydrophobicContact CG-CE1 4.47Å; E314-F335 WeakPolarHBondContact OE2-CD1 3.5Å; E314-F335 VanDerWaalsContact OE2-CE1 3.28Å; E314-F335 WeakPolarHBondContact OE2-CE1 3.49Å
315	G	94.2	Very high	80.3	Confident	4 Å²	4	66.2 Å²	66.2	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	172	-177.6	0	0	0	0	0	116.3	Y333 L334	G315-Y333 VanDerWaalsContact C-CD2 3.47Å; G315-Y333 WeakPolarHBondContact O-CA 3.42Å; G315-L334 PolarHBondContact N-O 3Å; G315-L334 PolarHBondContact O-N 3.44Å
316	P	94.7	Very high	79.6	Confident	83 Å²	83	71.2 Å²	71.2	54%	0.539	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	142.8	-178.8	32.4	-35	0	0	0	112.3	Y333	P316-Y333 HydrophobicContact CB-CD2 4.3Å
317	A	93.9	Very high	79.3	Confident	7 Å²	7	74.8 Å²	74.8	6%	0.058	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.2	173.5	0	0	0	0	0	111.6	R332 L334 V392 F394	A317-R332 PolarHBondContact N-O 3.4Å; A317-R332 CarbonylContact O-C 3.57Å; A317-R332 WeakPolarHBondContact O-CA 3.46Å; A317-R332 PolarHBondContact O-N 3.38Å; A317-L334 HydrophobicContact CB-CD1 3.59Å; A317-L334 HydrophobicContact CB-CG 3.81Å; A317-V392 HydrophobicContact CB-CG1 3.73Å; A317-F394 HydrophobicContact CB-CD1 4.22Å; A317-F394 HydrophobicContact CB-CE1 3.81Å; A317-F394 HydrophobicContact CB-CZ 4.43Å
318	K	91.4	Very high	79.5	Confident	92 Å²	92	76.7 Å²	76.7	40%	0.4	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.9	178.3	-74.8	175.6	-176.2	167.2	0	111.1	L329 D331 V392 A393	K318-L329 HydrophobicContact CB-CB 4.22Å; K318-L329 HydrophobicContact CB-CD1 4.22Å; K318-L329 HydrophobicContact CD-CB 4.32Å; K318-L329 HydrophobicContact CD-CD1 3.85Å; K318-L329 HydrophobicContact CG-CB 4.48Å; K318-D331 WeakPolarHBondContact CE-OD1 3.47Å; K318-V392 CarbonylContact O-C 3.55Å; K318-V392 WeakPolarHBondContact O-CA 3.48Å; K318-A393 HydrophobicContact CB-CB 4.41Å; K318-A393 PolarHBondContact N-O 3.25Å; K318-A393 PolarHBondContact O-N 2.92Å
319	K	90.3	Very high	79.5	Confident	33 Å²	33	76.1 Å²	76.1	14%	0.143	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.4	175.7	176.4	177	-162.8	135.2	0	110.6	L330 R332 M343 V390	K319-L330 HydrophobicContact CB-CB 4.3Å; K319-L330 PolarHBondContact N-O 2.75Å; K319-L330 PolarHBondContact O-N 2.74Å; K319-R332 HydrophobicContact CB-CG 3.79Å; K319-M343 HydrophobicContact CD-SD 3.71Å; K319-M343 HydrophobicContact CG-SD 4.48Å; K319-M343 PolarHBondContact NZ-SD 3.24Å; K319-V390 HydrophobicContact CD-CG2 4.19Å; K319-V390 HydrophobicContact CG-CG2 3.81Å
320	L	85.4	Confident	79.6	Confident	19 Å²	19	78.9 Å²	78.9	10%	0.099	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-81.1	130.1	170.9	-73.8	69.5	0	0	0	109.7	L329 I375 V377 E391 A393	L320-L329 HydrophobicContact CD1-CD2 3.82Å; L320-L329 HydrophobicContact CG-CD2 3.69Å; L320-I375 HydrophobicContact CD2-CG2 3.41Å; L320-I375 VanDerWaalsContact CD2-CG2 3.41Å; L320-V377 HydrophobicContact CD1-CG1 4.44Å; L320-V377 HydrophobicContact CD2-CB 4.44Å; L320-V377 HydrophobicContact CD2-CG2 4.12Å; L320-E391 HydrophobicContact CB-CB 4.08Å; L320-E391 HydrophobicContact CD1-CB 4.28Å; L320-E391 HydrophobicContact CD2-CB 3.95Å; L320-E391 HydrophobicContact CG-CB 4.32Å; L320-E391 PolarHBondContact N-O 2.89Å; L320-E391 VanDerWaalsContact N-O 3.09Å; L320-A393 HydrophobicContact CD1-CB 4.05Å
321	P	75.5	Confident	79.7	Confident	44 Å²	44	80.1 Å²	80.1	29%	0.286	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-76.5	132.7	174.9	-11.6	26.9	0	0	0	111.5	R323 L330	P321-R323 PolarHBondContact O-N 3.34Å; P321-L330 HydrophobicContact CB-CD1 4.39Å; P321-L330 HydrophobicContact CG-CD1 3.94Å; P321-L330 HydrophobicContact CG-CG 4.01Å
322	R	66	Low	79.7	Confident	109 Å²	109	80.4 Å²	80.4	41%	0.411	37%	0.372	S	S	.	.	S	Bend	trans	-60.6	-9.8	174.1	-64.6	-170.4	-175.8	-174.8	3.9	114.9	C389	R322-C389 PolarHBondContact NE-O 2.71Å; R322-C389 PolarHBondContact NH2-O 2.88Å
323	R	57.6	Low	79.9	Confident	155 Å²	155	78.5 Å²	78.5	59%	0.585	36%	0.362	S	S	*	.	S	Bend	trans	-152	76	-169.9	-75.2	-175.6	163.9	-167.4	-10.4	112.1	P321 H466	P321-R323 PolarHBondContact O-N 3.34Å; R323-H466 PolarHBondContact NH2-ND1 3.1Å
324	S	50.1	Low	80	Confident	60 Å²	60	77.1 Å²	77.1	42%	0.42	36%	0.355	S	S	.	.			trans	-162.1	108.2	166	52.2	0	0	0	0	111.3	H326	S324-H326 PolarHBondContact O-N 3.05Å; S324-H326 VanDerWaalsContact O-N 3.1Å
325	I	51.1	Low	80.1	Confident	128 Å²	128	74.5 Å²	74.5	66%	0.656	34%	0.342	S	S	*	.	S	Bend	trans	-61.1	-14.8	169.9	-59.5	165.5	0	0	0	111	E446	I325-E446 WeakPolarHBondContact CD1-OE1 3.3Å; I325-E446 VanDerWaalsContact CG1-OE1 3.31Å; I325-E446 WeakPolarHBondContact CG1-OE1 3.25Å
326	H	54.1	Low	80.1	Confident	164 Å²	164	74.3 Å²	74.3	76%	0.759	34%	0.34	S	S	*	.	S	Bend	trans	-112.6	68.6	-176.9	-61.3	-18.8	0	0	0	113.3	S324 R328	S324-H326 PolarHBondContact O-N 3.05Å; S324-H326 VanDerWaalsContact O-N 3.1Å; H326-R328 VanDerWaalsContact C-N 3.27Å; H326-R328 PolarHBondContact O-N 3.35Å
327	R	59.9	Low	80	Confident	220 Å²	220	70.3 Å²	70.3	83%	0.83	32%	0.315	S	S	*	.			trans	44.1	-9.5	145.8	-78.3	-168.8	175.7	-156.1	-0.2	123.3	L329	R327-L329 PolarHBondContact O-N 3Å; R327-L329 VanDerWaalsContact O-N 3.1Å
328	R	74.7	Confident	79.7	Confident	189 Å²	189	71.3 Å²	71.3	71%	0.713	32%	0.321	S	S	*	.			trans	-77.8	103.7	-178.9	-172.5	161.5	-173.3	163.2	4	111.5	H326	H326-R328 VanDerWaalsContact C-N 3.27Å; H326-R328 PolarHBondContact O-N 3.35Å
329	L	82.3	Confident	79.4	Confident	46 Å²	46	68.9 Å²	68.9	24%	0.241	31%	0.311	C	S	.	.			trans	-56	145.7	162.8	-63.3	177.3	0	0	0	110.2	K318 L320 R327 V377	K318-L329 HydrophobicContact CB-CB 4.22Å; K318-L329 HydrophobicContact CB-CD1 4.22Å; K318-L329 HydrophobicContact CD-CB 4.32Å; K318-L329 HydrophobicContact CD-CD1 3.85Å; K318-L329 HydrophobicContact CG-CB 4.48Å; L320-L329 HydrophobicContact CD1-CD2 3.82Å; L320-L329 HydrophobicContact CG-CD2 3.69Å; R327-L329 PolarHBondContact O-N 3Å; R327-L329 VanDerWaalsContact O-N 3.1Å; L329-V377 HydrophobicContact CD1-CG1 4.16Å; L329-V377 HydrophobicContact CD2-CG1 4.4Å; L329-V377 HydrophobicContact CD2-CG2 4.28Å
330	L	87.8	Confident	79.4	Confident	63 Å²	63	70.4 Å²	70.4	33%	0.33	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.4	178.9	-64.8	172	0	0	0	109.4	K319 P321 R332	K319-L330 HydrophobicContact CB-CB 4.3Å; K319-L330 PolarHBondContact N-O 2.75Å; K319-L330 PolarHBondContact O-N 2.74Å; P321-L330 HydrophobicContact CB-CD1 4.39Å; P321-L330 HydrophobicContact CG-CD1 3.94Å; P321-L330 HydrophobicContact CG-CG 4.01Å; L330-R332 PolarHBondContact O-N 3.01Å
331	D	91	Very high	79.9	Confident	68 Å²	68	69.5 Å²	69.5	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.2	177.9	-48.9	-70.3	0	0	0	110.3	K318	K318-D331 WeakPolarHBondContact CE-OD1 3.47Å
332	R	94.1	Very high	80.7	Confident	36 Å²	36	67.4 Å²	67.4	14%	0.136	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.5	-175.7	-66.3	-64.7	174.8	-108.7	21	109.5	A317 K319 L330 M343 T344 E345	A317-R332 PolarHBondContact N-O 3.4Å; A317-R332 CarbonylContact O-C 3.57Å; A317-R332 WeakPolarHBondContact O-CA 3.46Å; A317-R332 PolarHBondContact O-N 3.38Å; K319-R332 HydrophobicContact CB-CG 3.79Å; L330-R332 PolarHBondContact O-N 3.01Å; R332-M343 HydrophobicContact CB-CG 4.32Å; R332-M343 HydrophobicContact CG-CG 4.16Å; R332-M343 HydrophobicContact CG-SD 4.4Å; R332-T344 VanDerWaalsContact CA-O 3.26Å; R332-T344 WeakPolarHBondContact CA-O 3.39Å; R332-T344 WeakPolarHBondContact CB-O 3.48Å; R332-T344 WeakPolarHBondContact CD-O 3.49Å; R332-E345 IonicContact NH2-OE1 3.28Å
333	Y	95.3	Very high	82.1	Confident	41 Å²	41	62.3 Å²	62.3	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.5	165.5	-160	-88.2	0	0	0	108.4	E314 G315 P316 F335 T344 Y353	E314-Y333 HydrophobicContact CB-CE1 3.91Å; E314-Y333 HydrophobicContact CG-CE1 4.2Å; E314-Y333 PolarHBondContact OE1-OH 2.94Å; G315-Y333 VanDerWaalsContact C-CD2 3.47Å; G315-Y333 WeakPolarHBondContact O-CA 3.42Å; P316-Y333 HydrophobicContact CB-CD2 4.3Å; Y333-F335 HydrophobicContact CD1-CD2 4.11Å; Y333-F335 HydrophobicContact CD1-CE1 4.11Å; Y333-F335 AromaticContact CD1-CE2 3.5Å; Y333-F335 HydrophobicContact CD1-CE2 3.5Å; Y333-F335 VanDerWaalsContact CD1-CE2 3.5Å; Y333-F335 AromaticContact CD1-CZ 3.5Å; Y333-F335 HydrophobicContact CD1-CZ 3.5Å; Y333-F335 VanDerWaalsContact CD1-CZ 3.5Å; Y333-F335 HydrophobicContact CE1-CD1 4.4Å; Y333-F335 AromaticContact CE1-CE1 3.77Å; Y333-F335 HydrophobicContact CE1-CE1 3.77Å; Y333-F335 HydrophobicContact CE1-CE2 4.03Å; Y333-F335 AromaticContact CE1-CZ 3.56Å; Y333-F335 HydrophobicContact CE1-CZ 3.56Å; Y333-T344 PolarHBondContact N-O 3.16Å; Y333-T344 VanDerWaalsContact N-O 3.09Å; Y333-T344 PolarHBondContact O-N 3.23Å; Y333-T344 PolarHBondContact O-OG1 2.96Å; Y333-Y353 HydrophobicContact CD1-CD1 4.07Å; Y333-Y353 AromaticContact CD1-CE1 3.54Å; Y333-Y353 HydrophobicContact CD1-CE1 3.54Å; Y333-Y353 AromaticContact CD2-CE1 3.86Å; Y333-Y353 HydrophobicContact CD2-CE1 3.86Å; Y333-Y353 HydrophobicContact CE1-CE1 4.04Å; Y333-Y353 HydrophobicContact CE2-CE1 4.35Å; Y333-Y353 HydrophobicContact CG-CD1 4.04Å; Y333-Y353 AromaticContact CG-CE1 3.4Å; Y333-Y353 HydrophobicContact CG-CE1 3.4Å
334	L	96.2	Very high	83.8	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143	-173.3	-58.5	-175.3	0	0	0	109.6	E314 G315 A317 L341 V342 M343 V392 F394 W403	E314-L334 CarbonylContact C-O 3.37Å; E314-L334 WeakPolarHBondContact CA-O 3.34Å; E314-L334 WeakPolarHBondContact CB-O 3.47Å; G315-L334 PolarHBondContact N-O 3Å; G315-L334 PolarHBondContact O-N 3.44Å; A317-L334 HydrophobicContact CB-CD1 3.59Å; A317-L334 HydrophobicContact CB-CG 3.81Å; L334-L341 HydrophobicContact CB-CD1 4.33Å; L334-V342 WeakPolarHBondContact CA-O 3.32Å; L334-M343 HydrophobicContact CD2-CB 3.92Å; L334-M343 HydrophobicContact CD2-CE 3.93Å; L334-M343 HydrophobicContact CD2-CG 3.77Å; L334-V392 HydrophobicContact CD1-CG1 4.3Å; L334-F394 HydrophobicContact CD1-CE1 4.35Å; L334-F394 HydrophobicContact CD1-CZ 4.46Å; L334-W403 HydrophobicContact CB-CH2 3.38Å; L334-W403 HydrophobicContact CB-CZ2 3.98Å; L334-W403 HydrophobicContact CB-CZ3 3.78Å; L334-W403 HydrophobicContact CD1-CD2 4.46Å; L334-W403 HydrophobicContact CD1-CE3 4.08Å; L334-W403 HydrophobicContact CD1-CH2 4.16Å; L334-W403 HydrophobicContact CD1-CZ2 4.49Å; L334-W403 HydrophobicContact CD1-CZ3 3.92Å; L334-W403 HydrophobicContact CG-CH2 4.38Å
335	F	95.6	Very high	85.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.9	168.9	-57.3	-99.5	0	0	0	107.6	A294 L298 L311 E314 Y333 F337 V342 T344 Y353	A294-F335 HydrophobicContact CB-CD1 4.09Å; A294-F335 HydrophobicContact CB-CE1 4.31Å; L298-F335 HydrophobicContact CD2-CD2 3.78Å; L298-F335 HydrophobicContact CD2-CE2 3.61Å; L298-F335 HydrophobicContact CD2-CZ 4.22Å; L298-F335 HydrophobicContact CG-CE2 4.46Å; L311-F335 HydrophobicContact CD1-CB 4.19Å; L311-F335 HydrophobicContact CD1-CD1 4.41Å; E314-F335 HydrophobicContact CB-CD1 3.6Å; E314-F335 HydrophobicContact CB-CE1 4.06Å; E314-F335 HydrophobicContact CB-CG 4.25Å; E314-F335 HydrophobicContact CG-CD1 4.37Å; E314-F335 HydrophobicContact CG-CE1 4.47Å; E314-F335 WeakPolarHBondContact OE2-CD1 3.5Å; E314-F335 VanDerWaalsContact OE2-CE1 3.28Å; E314-F335 WeakPolarHBondContact OE2-CE1 3.49Å; Y333-F335 HydrophobicContact CD1-CD2 4.11Å; Y333-F335 HydrophobicContact CD1-CE1 4.11Å; Y333-F335 AromaticContact CD1-CE2 3.5Å; Y333-F335 HydrophobicContact CD1-CE2 3.5Å; Y333-F335 VanDerWaalsContact CD1-CE2 3.5Å; Y333-F335 AromaticContact CD1-CZ 3.5Å; Y333-F335 HydrophobicContact CD1-CZ 3.5Å; Y333-F335 VanDerWaalsContact CD1-CZ 3.5Å; Y333-F335 HydrophobicContact CE1-CD1 4.4Å; Y333-F335 AromaticContact CE1-CE1 3.77Å; Y333-F335 HydrophobicContact CE1-CE1 3.77Å; Y333-F335 HydrophobicContact CE1-CE2 4.03Å; Y333-F335 AromaticContact CE1-CZ 3.56Å; Y333-F335 HydrophobicContact CE1-CZ 3.56Å; F335-F337 HydrophobicContact CB-CD2 4.14Å; F335-F337 HydrophobicContact CB-CE2 3.53Å; F335-F337 HydrophobicContact CB-CZ 4.19Å; F335-F337 HydrophobicContact CG-CE2 4.44Å; F335-V342 HydrophobicContact CB-CB 4.38Å; F335-V342 PolarHBondContact N-O 3.41Å; F335-V342 PolarHBondContact O-N 2.78Å; F335-T344 HydrophobicContact CD2-CG2 3.97Å; F335-T344 HydrophobicContact CE2-CG2 3.82Å; F335-Y353 HydrophobicContact CE2-CD1 4.07Å; F335-Y353 HydrophobicContact CE2-CD2 4.41Å; F335-Y353 AromaticContact CE2-CG 3.99Å; F335-Y353 HydrophobicContact CE2-CG 3.99Å; F335-Y353 HydrophobicContact CZ-CD1 4.11Å; F335-Y353 AromaticContact CZ-CD2 3.85Å; F335-Y353 HydrophobicContact CZ-CD2 3.85Å; F335-Y353 HydrophobicContact CZ-CE1 4.26Å; F335-Y353 HydrophobicContact CZ-CE2 4.02Å; F335-Y353 AromaticContact CZ-CG 3.89Å; F335-Y353 HydrophobicContact CZ-CG 3.89Å
336	L	95.8	Very high	87.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.6	175.5	176.1	57	0	0	0	109	H312 L313 L341 L361 W403 E406 L407 A410	H312-L336 HydrophobicContact CB-CD2 4.24Å; H312-L336 HydrophobicContact CB-CG 4.16Å; H312-L336 PolarHBondContact N-O 3.41Å; L313-L336 HydrophobicContact CB-CB 4.35Å; L313-L336 PolarHBondContact O-N 3.32Å; L336-L341 HydrophobicContact CB-CD1 4.25Å; L336-L341 HydrophobicContact CD1-CD1 4.46Å; L336-L361 HydrophobicContact CD1-CD1 3.99Å; L336-L361 HydrophobicContact CD1-CD2 4.11Å; L336-W403 HydrophobicContact CB-CZ3 4.11Å; L336-E406 HydrophobicContact CD2-CB 4.12Å; L336-L407 HydrophobicContact CD1-CD1 3.53Å; L336-L407 HydrophobicContact CD2-CB 4.2Å; L336-L407 HydrophobicContact CD2-CD1 4.06Å; L336-L407 HydrophobicContact CG-CD1 4.4Å; L336-A410 HydrophobicContact CD1-CB 4.1Å; L336-A410 HydrophobicContact CD2-CB 4.19Å; L336-A410 HydrophobicContact CG-CB 4.38Å
337	F	92.7	Very high	89.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	160.6	170.2	-62.5	-88	0	0	0	110.5	A294 L295 L298 P309 L310 L311 F335 E339 Y340 V342 L361	A294-F337 HydrophobicContact CB-CE1 4.33Å; A294-F337 HydrophobicContact CB-CZ 4.05Å; L295-F337 HydrophobicContact CD2-CE1 4.15Å; L295-F337 HydrophobicContact CD2-CE2 4.45Å; L295-F337 HydrophobicContact CD2-CZ 3.88Å; L295-F337 HydrophobicContact CG-CE1 3.99Å; L295-F337 HydrophobicContact CG-CZ 4.03Å; L298-F337 HydrophobicContact CD1-CE2 3.93Å; L298-F337 HydrophobicContact CD1-CZ 4.03Å; P309-F337 HydrophobicContact CB-CB 4.12Å; P309-F337 HydrophobicContact CG-CB 4.23Å; P309-F337 HydrophobicContact CG-CD1 4.13Å; P309-F337 HydrophobicContact CG-CG 4.35Å; L310-F337 CarbonylContact O-C 3.59Å; L310-F337 WeakPolarHBondContact O-CA 3.36Å; L311-F337 HydrophobicContact CB-CD1 4.2Å; L311-F337 HydrophobicContact CB-CE1 4.15Å; L311-F337 HydrophobicContact CD1-CD1 4.05Å; L311-F337 HydrophobicContact CD1-CE1 3.79Å; L311-F337 HydrophobicContact CD1-CE2 4.34Å; L311-F337 HydrophobicContact CD1-CG 4.44Å; L311-F337 HydrophobicContact CD1-CZ 3.95Å; F335-F337 HydrophobicContact CB-CD2 4.14Å; F335-F337 HydrophobicContact CB-CE2 3.53Å; F335-F337 HydrophobicContact CB-CZ 4.19Å; F335-F337 HydrophobicContact CG-CE2 4.44Å; F337-E339 PolarHBondContact O-N 3.33Å; F337-Y340 WeakPolarHBondContact CA-O 3.33Å; F337-Y340 WeakPolarHBondContact CB-O 3.4Å; F337-Y340 PolarHBondContact N-O 2.71Å; F337-Y340 PolarHBondContact O-N 3.32Å; F337-V342 HydrophobicContact CD2-CG2 4.02Å; F337-V342 HydrophobicContact CE2-CG2 4.09Å; F337-L361 WeakPolarHBondContact O-CD1 3.28Å
338	S	87.4	Confident	90.7	Very high	28 Å²	28	40.9 Å²	40.9	20%	0.196	20%	0.201	C	C	.	.	S	Bend	trans	-55.2	-18.3	-175.2	59.6	0	0	0	0	116.2	L310 H312	L310-S338 PolarHBondContact N-OG 3.19Å; L310-S338 PolarHBondContact O-N 2.92Å; H312-S338 WeakPolarHBondContact NE2-CA 3.32Å; H312-S338 WeakPolarHBondContact NE2-CB 3.44Å
339	E	85.4	Confident	91.3	Very high	41 Å²	41	37.4 Å²	37.4	19%	0.192	21%	0.213	C	C	.	.	S	Bend	trans	-122.3	-20	-179	-69	171.6	-171.1	0	0	113.1	F337 L361 R417	F337-E339 PolarHBondContact O-N 3.33Å; E339-L361 PolarHBondContact O-N 3.12Å; E339-L361 VanDerWaalsContact O-N 3.1Å; E339-R417 VanDerWaalsContact CD-NH1 3.34Å; E339-R417 IonicContact OE1-CZ 2.68Å; E339-R417 VanDerWaalsContact OE1-CZ 3.23Å; E339-R417 IonicContact OE1-NH1 3.9Å; E339-R417 PolarHBondContact OE1-NH1 2.92Å; E339-R417 IonicContact OE1-NH2 2.66Å; E339-R417 PolarHBondContact OE1-NH2 2.93Å
340	Y	90.4	Very high	91.6	Very high	64 Å²	64	41 Å²	41	25%	0.251	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.4	-168	-55.4	-82	0	0	0	112.9	V303 Y305 F337 I359	V303-Y340 HydrophobicContact CG1-CE2 4.12Å; V303-Y340 HydrophobicContact CG2-CE1 4.28Å; Y305-Y340 HydrophobicContact CD1-CE2 4.21Å; Y305-Y340 AromaticContact CE1-CD2 3.79Å; Y305-Y340 HydrophobicContact CE1-CD2 3.79Å; Y305-Y340 AromaticContact CE1-CE2 3.83Å; Y305-Y340 HydrophobicContact CE1-CE2 3.83Å; F337-Y340 WeakPolarHBondContact CA-O 3.33Å; F337-Y340 WeakPolarHBondContact CB-O 3.4Å; F337-Y340 PolarHBondContact N-O 2.71Å; F337-Y340 PolarHBondContact O-N 3.32Å; Y340-I359 CarbonylContact C-O 3.53Å; Y340-I359 VanDerWaalsContact CA-O 3.25Å; Y340-I359 WeakPolarHBondContact CA-O 3.18Å
341	L	94.2	Very high	91.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.4	163.3	177.8	63.8	0	0	0	109.4	L334 L336 I359 L361 M364 I383 W403 L407	L334-L341 HydrophobicContact CB-CD1 4.33Å; L336-L341 HydrophobicContact CB-CD1 4.25Å; L336-L341 HydrophobicContact CD1-CD1 4.46Å; L341-I359 HydrophobicContact CB-CB 4.34Å; L341-I359 HydrophobicContact CD2-CD1 4.23Å; L341-I359 HydrophobicContact CG-CD1 4.39Å; L341-I359 PolarHBondContact N-O 3.48Å; L341-I359 WeakPolarHBondContact O-CB 3.33Å; L341-I359 PolarHBondContact O-N 2.86Å; L341-L361 HydrophobicContact CB-CD2 4.24Å; L341-M364 HydrophobicContact CD2-CE 4.2Å; L341-I383 HydrophobicContact CD2-CD1 3.68Å; L341-W403 HydrophobicContact CD1-CZ3 4.2Å; L341-L407 HydrophobicContact CD2-CD1 4.23Å; L341-L407 HydrophobicContact CD2-CD2 4.36Å
342	V	93.6	Very high	91.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.1	177.4	-177	0	0	0	0	109.6	L298 L301 L334 F335 F337 T344 V355	L298-V342 HydrophobicContact CD1-CG1 4.4Å; L298-V342 HydrophobicContact CD2-CG1 4.16Å; L301-V342 HydrophobicContact CD2-CG1 4.28Å; L301-V342 HydrophobicContact CD2-CG2 4.33Å; L334-V342 WeakPolarHBondContact CA-O 3.32Å; F335-V342 HydrophobicContact CB-CB 4.38Å; F335-V342 PolarHBondContact N-O 3.41Å; F335-V342 PolarHBondContact O-N 2.78Å; F337-V342 HydrophobicContact CD2-CG2 4.02Å; F337-V342 HydrophobicContact CE2-CG2 4.09Å; V342-T344 HydrophobicContact CG1-CG2 3.99Å; V342-V355 HydrophobicContact CG1-CG1 4.16Å; V342-V355 HydrophobicContact CG1-CG2 3.97Å
343	M	93.9	Very high	91.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122	179.1	-178.9	-177.4	-71.8	0	0	110.3	K319 R332 L334 K356 S357 V390 V392	K319-M343 HydrophobicContact CD-SD 3.71Å; K319-M343 HydrophobicContact CG-SD 4.48Å; K319-M343 PolarHBondContact NZ-SD 3.24Å; R332-M343 HydrophobicContact CB-CG 4.32Å; R332-M343 HydrophobicContact CG-CG 4.16Å; R332-M343 HydrophobicContact CG-SD 4.4Å; L334-M343 HydrophobicContact CD2-CB 3.92Å; L334-M343 HydrophobicContact CD2-CE 3.93Å; L334-M343 HydrophobicContact CD2-CG 3.77Å; M343-K356 PolarHBondContact O-N 3.06Å; M343-S357 PolarHBondContact N-O 3.28Å; M343-S357 PolarHBondContact O-N 3.43Å; M343-S357 VanDerWaalsContact O-N 3.08Å; M343-V390 HydrophobicContact CE-CG1 4.32Å; M343-V392 HydrophobicContact CE-CG2 4.06Å
344	T	94.5	Very high	91.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	162.5	-171.5	68.7	0	0	0	0	112.1	L298 R332 Y333 F335 V342 Q354 V355	L298-T344 HydrophobicContact CD2-CG2 3.46Å; L298-T344 VanDerWaalsContact CD2-CG2 3.46Å; R332-T344 VanDerWaalsContact CA-O 3.26Å; R332-T344 WeakPolarHBondContact CA-O 3.39Å; R332-T344 WeakPolarHBondContact CB-O 3.48Å; R332-T344 WeakPolarHBondContact CD-O 3.49Å; Y333-T344 PolarHBondContact N-O 3.16Å; Y333-T344 VanDerWaalsContact N-O 3.09Å; Y333-T344 PolarHBondContact O-N 3.23Å; Y333-T344 PolarHBondContact O-OG1 2.96Å; F335-T344 HydrophobicContact CD2-CG2 3.97Å; F335-T344 HydrophobicContact CE2-CG2 3.82Å; V342-T344 HydrophobicContact CG1-CG2 3.99Å; T344-Q354 WeakPolarHBondContact CA-O 3.48Å; T344-V355 HydrophobicContact CG2-CG2 4.33Å
345	E	92.4	Very high	91.5	Very high	75 Å²	75	44.4 Å²	44.4	35%	0.35	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	157.4	159.8	-99.4	158	-148.6	0	0	111.3	R332 Q354 K356	R332-E345 IonicContact NH2-OE1 3.28Å; E345-Q354 PolarHBondContact N-O 3.15Å; E345-K356 HydrophobicContact CG-CG 4.44Å; E345-K356 WeakPolarHBondContact OE1-CE 3.32Å; E345-K356 IonicContact OE1-NZ 2.66Å; E345-K356 PolarHBondContact OE1-NZ 2.93Å; E345-K356 WeakPolarHBondContact OE2-CE 3.47Å; E345-K356 IonicContact OE2-NZ 2.83Å; E345-K356 PolarHBondContact OE2-NZ 3.02Å
346	S	87.9	Confident	91.3	Very high	65 Å²	65	48.4 Å²	48.4	46%	0.455	27%	0.274	S	S	.	.	S	Bend	trans	-48.2	150	169.4	-52.4	0	0	0	0	111.8
347	P	90.3	Very high	91	Very high	62 Å²	62	49.8 Å²	49.8	40%	0.403	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-63.3	145.2	-170.5	24.7	-31.7	0	0	0	111.9	R352 Y353	P347-R352 WeakPolarHBondContact CA-O 3.2Å; P347-Y353 HydrophobicContact CB-CD1 4.15Å; P347-Y353 HydrophobicContact CB-CD2 4.32Å; P347-Y353 HydrophobicContact CB-CE1 3.79Å; P347-Y353 HydrophobicContact CB-CE2 3.97Å; P347-Y353 HydrophobicContact CB-CG 4.41Å; P347-Y353 HydrophobicContact CG-CE1 3.88Å
348	N	89.7	Confident	90.9	Very high	75 Å²	75	51.3 Å²	51.3	40%	0.401	29%	0.291	S	S	.	.			trans	-72.9	174.4	169.6	69.8	27.5	0	0	0	111	V350 G351 R352	N348-V350 PolarHBondContact O-N 3Å; N348-V350 WeakPolarHBondContact OD1-CA 3.36Å; N348-V350 WeakPolarHBondContact OD1-CB 3.42Å; N348-V350 PolarHBondContact OD1-N 2.84Å; N348-G351 PolarHBondContact O-N 3.19Å; N348-G351 PolarHBondContact OD1-N 2.81Å; N348-R352 VanDerWaalsContact CG-O 3.28Å; N348-R352 PolarHBondContact N-O 3.23Å; N348-R352 PolarHBondContact OD1-N 3.18Å; N348-R352 VanDerWaalsContact OD1-N 3.09Å; N348-R352 PolarHBondContact OD1-O 2.92Å
349	A	87.4	Confident	91	Very high	117 Å²	117	50 Å²	50	97%	0.967	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-5.5	-178.5	0	0	0	0	0	115.1
350	V	89.1	Confident	91.2	Very high	122 Å²	122	48.6 Å²	48.6	74%	0.739	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	5.2	176.2	-161.2	0	0	0	0	111.1	N348 R352	N348-V350 PolarHBondContact O-N 3Å; N348-V350 WeakPolarHBondContact OD1-CA 3.36Å; N348-V350 WeakPolarHBondContact OD1-CB 3.42Å; N348-V350 PolarHBondContact OD1-N 2.84Å; V350-R352 VanDerWaalsContact C-N 3.34Å; V350-R352 PolarHBondContact O-N 3.02Å
351	G	88.1	Confident	91.2	Very high	39 Å²	39	45.6 Å²	45.6	40%	0.402	27%	0.267	S	S	.	.	S	Bend	trans	78.2	10.9	-179.8	0	0	0	0	0	115	N348 Y353	N348-G351 PolarHBondContact O-N 3.19Å; N348-G351 PolarHBondContact OD1-N 2.81Å; G351-Y353 WeakPolarHBondContact O-CE2 3.33Å
352	R	92	Very high	90.7	Very high	119 Å²	119	48.6 Å²	48.6	45%	0.449	29%	0.292	S	S	.	.			trans	-97.1	151.5	177	-64.5	-167.4	-178.8	-172.6	1	113	K297 D299 P347 N348 V350	K297-R352 WeakPolarHBondContact O-CA 3.41Å; D299-R352 WeakPolarHBondContact OD1-CD 3.49Å; D299-R352 IonicContact OD1-CZ 3.26Å; D299-R352 IonicContact OD1-NH1 2.65Å; D299-R352 PolarHBondContact OD1-NH1 2.95Å; D299-R352 VanDerWaalsContact OD2-CB 3.28Å; D299-R352 WeakPolarHBondContact OD2-CB 3.45Å; D299-R352 WeakPolarHBondContact OD2-CD 3.48Å; P347-R352 WeakPolarHBondContact CA-O 3.2Å; N348-R352 VanDerWaalsContact CG-O 3.28Å; N348-R352 PolarHBondContact N-O 3.23Å; N348-R352 PolarHBondContact OD1-N 3.18Å; N348-R352 VanDerWaalsContact OD1-N 3.09Å; N348-R352 PolarHBondContact OD1-O 2.92Å; V350-R352 VanDerWaalsContact C-N 3.34Å; V350-R352 PolarHBondContact O-N 3.02Å
353	Y	94.4	Very high	90.1	Very high	25 Å²	25	51.2 Å²	51.2	10%	0.098	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.7	-171.2	-65.3	-101.3	0	0	0	110.6	K297 D299 Y333 F335 P347 G351 V355	K297-Y353 HydrophobicContact CB-CD2 3.99Å; K297-Y353 HydrophobicContact CB-CE2 4.38Å; K297-Y353 HydrophobicContact CD-CE2 4.4Å; K297-Y353 PolarHBondContact O-N 3.35Å; D299-Y353 PolarHBondContact N-O 3.34Å; Y333-Y353 HydrophobicContact CD1-CD1 4.07Å; Y333-Y353 AromaticContact CD1-CE1 3.54Å; Y333-Y353 HydrophobicContact CD1-CE1 3.54Å; Y333-Y353 AromaticContact CD2-CE1 3.86Å; Y333-Y353 HydrophobicContact CD2-CE1 3.86Å; Y333-Y353 HydrophobicContact CE1-CE1 4.04Å; Y333-Y353 HydrophobicContact CE2-CE1 4.35Å; Y333-Y353 HydrophobicContact CG-CD1 4.04Å; Y333-Y353 AromaticContact CG-CE1 3.4Å; Y333-Y353 HydrophobicContact CG-CE1 3.4Å; F335-Y353 HydrophobicContact CE2-CD1 4.07Å; F335-Y353 HydrophobicContact CE2-CD2 4.41Å; F335-Y353 AromaticContact CE2-CG 3.99Å; F335-Y353 HydrophobicContact CE2-CG 3.99Å; F335-Y353 HydrophobicContact CZ-CD1 4.11Å; F335-Y353 AromaticContact CZ-CD2 3.85Å; F335-Y353 HydrophobicContact CZ-CD2 3.85Å; F335-Y353 HydrophobicContact CZ-CE1 4.26Å; F335-Y353 HydrophobicContact CZ-CE2 4.02Å; F335-Y353 AromaticContact CZ-CG 3.89Å; F335-Y353 HydrophobicContact CZ-CG 3.89Å; P347-Y353 HydrophobicContact CB-CD1 4.15Å; P347-Y353 HydrophobicContact CB-CD2 4.32Å; P347-Y353 HydrophobicContact CB-CE1 3.79Å; P347-Y353 HydrophobicContact CB-CE2 3.97Å; P347-Y353 HydrophobicContact CB-CG 4.41Å; P347-Y353 HydrophobicContact CG-CE1 3.88Å; G351-Y353 WeakPolarHBondContact O-CE2 3.33Å; Y353-V355 PolarHBondContact O-N 2.86Å
354	Q	93.6	Very high	90	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.2	177.7	-179.7	61.3	79.7	0	0	110.4	D299 T344 E345 K356	D299-Q354 PolarHBondContact O-NE2 3.49Å; T344-Q354 WeakPolarHBondContact CA-O 3.48Å; E345-Q354 PolarHBondContact N-O 3.15Å; Q354-K356 WeakPolarHBondContact O-CE 3.36Å
355	V	92.5	Very high	89.8	Confident	13 Å²	13	54.2 Å²	54.2	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136.5	176	177.1	0	0	0	0	111.3	L298 D299 L301 V342 T344 Y353 E358	L298-V355 HydrophobicContact CB-CG2 4.31Å; L298-V355 HydrophobicContact CD2-CG2 3.99Å; D299-V355 WeakPolarHBondContact O-CG2 3.44Å; D299-V355 PolarHBondContact O-N 3.35Å; L301-V355 HydrophobicContact CD2-CG2 3.84Å; L301-V355 HydrophobicContact CG-CG2 4.03Å; V342-V355 HydrophobicContact CG1-CG1 4.16Å; V342-V355 HydrophobicContact CG1-CG2 3.97Å; T344-V355 HydrophobicContact CG2-CG2 4.33Å; Y353-V355 PolarHBondContact O-N 2.86Å; V355-E358 HydrophobicContact CG1-CG 3.93Å
356	K	92.1	Very high	89.8	Confident	85 Å²	85	51.5 Å²	51.5	37%	0.37	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	-28.4	177.5	-56.4	-64.1	163	158.1	0	113.5	M343 E345 Q354	M343-K356 PolarHBondContact O-N 3.06Å; E345-K356 HydrophobicContact CG-CG 4.44Å; E345-K356 WeakPolarHBondContact OE1-CE 3.32Å; E345-K356 IonicContact OE1-NZ 2.66Å; E345-K356 PolarHBondContact OE1-NZ 2.93Å; E345-K356 WeakPolarHBondContact OE2-CE 3.47Å; E345-K356 IonicContact OE2-NZ 2.83Å; E345-K356 PolarHBondContact OE2-NZ 3.02Å; Q354-K356 WeakPolarHBondContact O-CE 3.36Å
357	S	89.6	Confident	89.9	Confident	29 Å²	29	50 Å²	50	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	126.6	173.5	-54	0	0	0	0	109.4	M343	M343-S357 PolarHBondContact N-O 3.28Å; M343-S357 PolarHBondContact O-N 3.43Å; M343-S357 VanDerWaalsContact O-N 3.08Å
358	E	90.1	Very high	89.8	Confident	31 Å²	31	52.7 Å²	52.7	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.4	162	-64.5	146.5	-78.4	0	0	106.2	L301 R302 V303 V355	L301-E358 HydrophobicContact CD2-CG 4.26Å; R302-E358 WeakPolarHBondContact CA-OE2 3.22Å; R302-E358 WeakPolarHBondContact CB-OE1 3.23Å; R302-E358 WeakPolarHBondContact CB-OE2 2.95Å; R302-E358 WeakPolarHBondContact CD-OE1 3.28Å; R302-E358 WeakPolarHBondContact CG-OE1 3.39Å; R302-E358 PolarHBondContact N-OE2 3.46Å; V303-E358 PolarHBondContact N-OE2 2.63Å; V355-E358 HydrophobicContact CG1-CG 3.93Å
359	I	90.6	Very high	89.2	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.1	-172.1	-48.9	169.4	0	0	0	107.6	Y340 L341 M364 A385 L388	Y340-I359 CarbonylContact C-O 3.53Å; Y340-I359 VanDerWaalsContact CA-O 3.25Å; Y340-I359 WeakPolarHBondContact CA-O 3.18Å; L341-I359 HydrophobicContact CB-CB 4.34Å; L341-I359 HydrophobicContact CD2-CD1 4.23Å; L341-I359 HydrophobicContact CG-CD1 4.39Å; L341-I359 PolarHBondContact N-O 3.48Å; L341-I359 WeakPolarHBondContact O-CB 3.33Å; L341-I359 PolarHBondContact O-N 2.86Å; I359-M364 HydrophobicContact CG2-SD 4.07Å; I359-A385 HydrophobicContact CG2-CB 3.28Å; I359-L388 HydrophobicContact CD1-CD2 3.8Å; I359-L388 HydrophobicContact CG1-CB 4.46Å; I359-L388 HydrophobicContact CG1-CD2 4.27Å
360	G	88.8	Confident	88.3	Confident	13 Å²	13	51.4 Å²	51.4	13%	0.134	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.7	176.5	0	0	0	0	0	111.7	E387	G360-E387 PolarHBondContact N-OE2 3.09Å; G360-E387 VanDerWaalsContact N-OE2 3.15Å
361	L	90.5	Very high	86.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.			trans	-76.4	-24.8	174.1	-61.3	-177.2	0	0	0	112.6	L336 F337 E339 L341 G363 M364 L407 A410 I411	L336-L361 HydrophobicContact CD1-CD1 3.99Å; L336-L361 HydrophobicContact CD1-CD2 4.11Å; F337-L361 WeakPolarHBondContact O-CD1 3.28Å; E339-L361 PolarHBondContact O-N 3.12Å; E339-L361 VanDerWaalsContact O-N 3.1Å; L341-L361 HydrophobicContact CB-CD2 4.24Å; L361-G363 PolarHBondContact O-N 3.23Å; L361-G363 VanDerWaalsContact O-N 3.08Å; L361-M364 HydrophobicContact CD2-CE 4.34Å; L361-M364 HydrophobicContact CD2-SD 4.06Å; L361-M364 VanDerWaalsContact O-CB 3.25Å; L361-M364 WeakPolarHBondContact O-CB 3.21Å; L361-M364 PolarHBondContact O-N 2.9Å; L361-L407 HydrophobicContact CD2-CD1 3.89Å; L361-A410 HydrophobicContact CD1-CB 3.69Å; L361-I411 HydrophobicContact CB-CG1 4.3Å; L361-I411 HydrophobicContact CD2-CG1 4.19Å
362	A	83.7	Confident	85.1	Confident	65 Å²	65	59.2 Å²	59.2	54%	0.537	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	111.6	179.3	0	0	0	0	0	112.2	M364	A362-M364 VanDerWaalsContact C-N 3.27Å; A362-M364 PolarHBondContact O-N 2.91Å
363	G	81.1	Confident	83.5	Confident	55 Å²	55	56.8 Å²	56.8	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	11.2	-176.9	0	0	0	0	0	114.7	L361	L361-G363 PolarHBondContact O-N 3.23Å; L361-G363 VanDerWaalsContact O-N 3.08Å
364	M	91.5	Very high	81.7	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.025	34%	0.343	C	S	.	.			trans	-70.5	143.9	171	-179.2	160.2	139	0	0	110.6	L341 I359 L361 A362 L366 I383 K384 A385 L407 I411	L341-M364 HydrophobicContact CD2-CE 4.2Å; I359-M364 HydrophobicContact CG2-SD 4.07Å; L361-M364 HydrophobicContact CD2-CE 4.34Å; L361-M364 HydrophobicContact CD2-SD 4.06Å; L361-M364 VanDerWaalsContact O-CB 3.25Å; L361-M364 WeakPolarHBondContact O-CB 3.21Å; L361-M364 PolarHBondContact O-N 2.9Å; A362-M364 VanDerWaalsContact C-N 3.27Å; A362-M364 PolarHBondContact O-N 2.91Å; M364-L366 HydrophobicContact CE-CD2 3.83Å; M364-I383 HydrophobicContact CE-CB 4.31Å; M364-I383 HydrophobicContact CE-CD1 4.09Å; M364-I383 HydrophobicContact CE-CG1 3.94Å; M364-I383 HydrophobicContact CE-CG2 3.52Å; M364-I383 HydrophobicContact CG-CG2 4.18Å; M364-I383 HydrophobicContact SD-CG2 3.67Å; M364-K384 CarbonylContact C-O 3.45Å; M364-K384 WeakPolarHBondContact CA-O 3.37Å; M364-A385 HydrophobicContact CB-CB 4.08Å; M364-A385 HydrophobicContact CG-CB 3.91Å; M364-A385 HydrophobicContact SD-CB 3.9Å; M364-L407 HydrophobicContact CE-CD1 3.65Å; M364-L407 HydrophobicContact CE-CD2 3.62Å; M364-L407 HydrophobicContact CE-CG 3.74Å; M364-I411 HydrophobicContact CB-CD1 4.08Å; M364-I411 HydrophobicContact CB-CG1 4.23Å; M364-I411 HydrophobicContact CE-CD1 4.09Å; M364-I411 HydrophobicContact CG-CD1 3.89Å; M364-I411 HydrophobicContact CG-CG1 4.47Å
365	T	91.1	Very high	80.2	Confident	59 Å²	59	60.3 Å²	60.3	36%	0.362	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.1	176.4	49.2	0	0	0	0	110.9	K384	T365-K384 PolarHBondContact N-O 3.44Å; T365-K384 PolarHBondContact O-N 2.91Å; T365-K384 WeakPolarHBondContact OG1-CB 3.4Å; T365-K384 PolarHBondContact OG1-O 3.44Å
366	L	92.1	Very high	78.9	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.094	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.8	172.5	-53.3	-174.9	0	0	0	109.8	M364 F381 I383 W404 L407 Q408 I411	M364-L366 HydrophobicContact CE-CD2 3.83Å; L366-F381 HydrophobicContact CD2-CD2 4.46Å; L366-F381 HydrophobicContact CD2-CE2 4.08Å; L366-I383 HydrophobicContact CD2-CG1 3.99Å; L366-W404 HydrophobicContact CB-CD2 4.41Å; L366-W404 HydrophobicContact CB-CE3 4.04Å; L366-W404 HydrophobicContact CB-CH2 3.61Å; L366-W404 HydrophobicContact CB-CZ2 3.99Å; L366-W404 HydrophobicContact CB-CZ3 3.64Å; L366-W404 HydrophobicContact CD1-CD2 3.96Å; L366-W404 HydrophobicContact CD1-CE3 4.12Å; L366-W404 HydrophobicContact CD1-CG 4.28Å; L366-L407 HydrophobicContact CD1-CB 4.28Å; L366-L407 HydrophobicContact CD1-CD2 4.28Å; L366-L407 HydrophobicContact CD1-CG 4.24Å; L366-L407 HydrophobicContact CD2-CD2 3.66Å; L366-L407 HydrophobicContact CD2-CG 4.08Å; L366-Q408 HydrophobicContact CD1-CB 4.17Å; L366-I411 HydrophobicContact CD2-CD1 4.28Å; L366-I411 HydrophobicContact CG-CD1 4.17Å
367	C	89.8	Confident	78.1	Confident	34 Å²	34	64.1 Å²	64.1	23%	0.23	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131.2	177	-72.5	0	0	0	0	109	R382 K384	C367-R382 HydrophobicContact CB-CB 4.2Å; C367-R382 PolarHBondContact N-O 3.05Å; C367-R382 PolarHBondContact O-N 2.96Å; C367-K384 PolarHBondContact SG-NZ 2.91Å
368	E	87.8	Confident	77.8	Confident	117 Å²	117	69.9 Å²	69.9	55%	0.547	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	147.8	167.5	-169.4	146.6	-122.3	0	0	110.5	K400	E368-K400 IonicContact OE1-NZ 2.74Å; E368-K400 PolarHBondContact OE1-NZ 3.28Å
369	V	78.2	Confident	77.7	Confident	19 Å²	19	71.3 Å²	71.3	12%	0.115	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-90.2	125.5	173.1	176.4	0	0	0	0	107.4	E373 I375 R382 E391	V369-E373 HydrophobicContact CG1-CB 4.48Å; V369-I375 HydrophobicContact CG1-CB 3.96Å; V369-I375 HydrophobicContact CG1-CD1 3.92Å; V369-I375 HydrophobicContact CG1-CG1 4.36Å; V369-I375 HydrophobicContact CG1-CG2 4.27Å; V369-R382 HydrophobicContact CG2-CB 4.2Å; V369-E391 HydrophobicContact CG2-CG 4.47Å
370	K	67	Low	77.6	Confident	147 Å²	147	71.9 Å²	71.9	64%	0.639	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-85.9	147.7	179.9	-63.8	-171.9	174.1	-166	0	111.2	D372 E373	K370-D372 PolarHBondContact O-N 2.83Å; K370-D372 VanDerWaalsContact O-N 3.12Å; K370-E373 WeakPolarHBondContact O-CB 3.5Å; K370-E373 PolarHBondContact O-N 3.05Å
371	D	57.5	Low	77.8	Confident	169 Å²	169	71.3 Å²	71.3	90%	0.904	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.3	176	-51.8	-40.7	0	0	0	113.9	E373	D371-E373 PolarHBondContact O-N 2.95Å
372	D	52.2	Low	77.8	Confident	156 Å²	156	71.7 Å²	71.7	83%	0.834	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.2	173.7	-66.6	-49.9	0	0	0	113.2	K370	K370-D372 PolarHBondContact O-N 2.83Å; K370-D372 VanDerWaalsContact O-N 3.12Å
373	E	58.9	Low	78.2	Confident	67 Å²	67	68.7 Å²	68.7	31%	0.313	36%	0.361	S	S	.	.	S	Bend	trans	-86.6	128.1	171.1	-62.5	-170.4	-165.7	0	0	109.5	V369 K370 D371 I375 R382	V369-E373 HydrophobicContact CG1-CB 4.48Å; K370-E373 WeakPolarHBondContact O-CB 3.5Å; K370-E373 PolarHBondContact O-N 3.05Å; D371-E373 PolarHBondContact O-N 2.95Å; E373-I375 HydrophobicContact CB-CD1 4.47Å; E373-I375 HydrophobicContact CB-CG1 4.37Å; E373-I375 PolarHBondContact O-N 3.11Å; E373-R382 VanDerWaalsContact CD-NH1 3.27Å; E373-R382 IonicContact OE1-CZ 2.82Å; E373-R382 IonicContact OE1-NH1 3.78Å; E373-R382 PolarHBondContact OE1-NH1 2.78Å; E373-R382 IonicContact OE1-NH2 2.64Å; E373-R382 IonicContact OE2-CZ 2.69Å; E373-R382 IonicContact OE2-NH1 3.78Å; E373-R382 PolarHBondContact OE2-NH1 3.33Å; E373-R382 IonicContact OE2-NH2 3.43Å; E373-R382 PolarHBondContact OE2-NH2 3.35Å
374	E	56.5	Low	78.6	Confident	151 Å²	151	69 Å²	69	71%	0.706	35%	0.347	S	S	*	.	S	Bend	trans	-64.3	69.8	175.3	-66.1	176	152	0	0	112.9	K444	E374-K444 PolarHBondContact O-NZ 3Å; E374-K444 IonicContact OE2-NZ 2.68Å; E374-K444 PolarHBondContact OE2-NZ 3.17Å
375	I	62.7	Low	78.4	Confident	34 Å²	34	68.8 Å²	68.8	17%	0.174	35%	0.346	C	S	.	.			trans	-132.7	75.5	178.2	-57.6	-175.4	0	0	0	105.9	L320 V369 E373 V377 E391	L320-I375 HydrophobicContact CD2-CG2 3.41Å; L320-I375 VanDerWaalsContact CD2-CG2 3.41Å; V369-I375 HydrophobicContact CG1-CB 3.96Å; V369-I375 HydrophobicContact CG1-CD1 3.92Å; V369-I375 HydrophobicContact CG1-CG1 4.36Å; V369-I375 HydrophobicContact CG1-CG2 4.27Å; E373-I375 HydrophobicContact CB-CD1 4.47Å; E373-I375 HydrophobicContact CB-CG1 4.37Å; E373-I375 PolarHBondContact O-N 3.11Å; I375-V377 HydrophobicContact CG2-CB 4.27Å; I375-V377 HydrophobicContact CG2-CG2 4.32Å; I375-V377 PolarHBondContact O-N 2.87Å; I375-E391 HydrophobicContact CD1-CG 4.28Å
376	N	66	Low	77.9	Confident	141 Å²	141	69.7 Å²	69.7	75%	0.754	35%	0.345	S	S	*	.			trans	-75.6	67.6	178.3	-170.4	14.7	0	0	0	110.3
377	V	75.4	Confident	77.3	Confident	37 Å²	37	73.1 Å²	73.1	22%	0.224	36%	0.361	C	S	.	.			trans	-142.3	107.4	180	-175.2	0	0	0	0	107.2	L320 L329 I375 C380 A393	L320-V377 HydrophobicContact CD1-CG1 4.44Å; L320-V377 HydrophobicContact CD2-CB 4.44Å; L320-V377 HydrophobicContact CD2-CG2 4.12Å; L329-V377 HydrophobicContact CD1-CG1 4.16Å; L329-V377 HydrophobicContact CD2-CG1 4.4Å; L329-V377 HydrophobicContact CD2-CG2 4.28Å; I375-V377 HydrophobicContact CG2-CB 4.27Å; I375-V377 HydrophobicContact CG2-CG2 4.32Å; I375-V377 PolarHBondContact O-N 2.87Å; V377-C380 PolarHBondContact O-SG 2.8Å; V377-A393 HydrophobicContact CG1-CB 3.6Å
378	E	81.4	Confident	77	Confident	150 Å²	150	72.7 Å²	72.7	70%	0.701	36%	0.356	S	S	*	.	S	Bend	trans	-64.4	162	179.3	-66	164.3	165.7	0	0	111.6	C380	E378-C380 VanDerWaalsContact C-N 3.31Å; E378-C380 PolarHBondContact O-N 2.98Å
379	H	88.3	Confident	77	Confident	61 Å²	61	67.3 Å²	67.3	28%	0.282	33%	0.331	S	S	.	.	S	Bend	trans	51.4	43	175.1	-48.7	-53.8	0	0	0	114.6	A393 F394 N396 D397 K400	H379-A393 WeakPolarHBondContact O-CA 3.49Å; H379-F394 PolarHBondContact O-N 3.34Å; H379-N396 WeakPolarHBondContact CB-O 3.47Å; H379-N396 VanDerWaalsContact CD2-CA 3.49Å; H379-N396 WeakPolarHBondContact CD2-CA 3.34Å; H379-D397 PolarHBondContact CE1-N 3.23Å; H379-D397 IonicContact CE1-OD1 3.59Å; H379-D397 IonicContact CG-OD1 2.82Å; H379-D397 WeakPolarHBondContact ND1-CA 3.21Å; H379-D397 WeakPolarHBondContact ND1-CB 3.49Å; H379-D397 PolarHBondContact ND1-N 3.02Å; H379-D397 IonicContact ND1-OD1 2.85Å; H379-D397 PolarHBondContact ND1-OD1 3.43Å; H379-K400 HydrophobicContact CB-CB 4.29Å
380	C	89.6	Confident	77.5	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.5	-179.2	79.8	0	0	0	0	114.1	V377 E378 V392 A393	V377-C380 PolarHBondContact O-SG 2.8Å; E378-C380 VanDerWaalsContact C-N 3.31Å; E378-C380 PolarHBondContact O-N 2.98Å; C380-V392 CarbonylContact C-O 3.49Å; C380-V392 WeakPolarHBondContact CA-O 3.3Å; C380-V392 VanDerWaalsContact CB-O 3.3Å; C380-V392 WeakPolarHBondContact CB-O 3.26Å; C380-A393 HydrophobicContact CB-CB 3.67Å
381	F	92.4	Very high	78.6	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	164.8	168.3	63.8	-108.2	0	0	0	111.9	L366 I383 E391 V392 F394 K400 W403 W404 L407	L366-F381 HydrophobicContact CD2-CD2 4.46Å; L366-F381 HydrophobicContact CD2-CE2 4.08Å; F381-I383 HydrophobicContact CD2-CG1 4.19Å; F381-I383 HydrophobicContact CE2-CD1 4.17Å; F381-I383 HydrophobicContact CE2-CG1 3.83Å; F381-E391 WeakPolarHBondContact O-CA 3.46Å; F381-V392 PolarHBondContact N-O 2.85Å; F381-V392 PolarHBondContact O-N 2.95Å; F381-F394 HydrophobicContact CD1-CD2 4.47Å; F381-F394 AromaticContact CD1-CE2 3.84Å; F381-F394 HydrophobicContact CD1-CE2 3.84Å; F381-F394 HydrophobicContact CE1-CD2 4.19Å; F381-F394 AromaticContact CE1-CE2 3.34Å; F381-F394 HydrophobicContact CE1-CE2 3.34Å; F381-F394 AromaticContact CE1-CZ 3.92Å; F381-F394 HydrophobicContact CE1-CZ 3.92Å; F381-F394 AromaticContact CZ-CE2 3.8Å; F381-F394 HydrophobicContact CZ-CE2 3.8Å; F381-F394 AromaticContact CZ-CZ 3.97Å; F381-F394 HydrophobicContact CZ-CZ 3.97Å; F381-K400 HydrophobicContact CD1-CG 3.96Å; F381-W403 HydrophobicContact CE1-CB 4.18Å; F381-W403 HydrophobicContact CZ-CB 4.25Å; F381-W404 HydrophobicContact CB-CE3 3.95Å; F381-W404 HydrophobicContact CB-CZ3 3.9Å; F381-W404 AromaticContact CD1-CE3 3.93Å; F381-W404 HydrophobicContact CD1-CE3 3.93Å; F381-W404 HydrophobicContact CD2-CE3 4.28Å; F381-W404 HydrophobicContact CE1-CB 4.18Å; F381-W404 HydrophobicContact CE1-CE3 4.44Å; F381-W404 AromaticContact CG-CE3 3.84Å; F381-W404 HydrophobicContact CG-CE3 3.84Å; F381-W404 HydrophobicContact CG-CZ3 4.21Å; F381-L407 HydrophobicContact CE2-CD2 4.02Å; F381-L407 HydrophobicContact CZ-CD2 4.12Å
382	R	90.6	Very high	80.3	Confident	8 Å²	8	52.6 Å²	52.6	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.8	-177.6	177.8	178.5	-74.1	131.7	-2.6	111	C367 V369 E373 K384 E391	C367-R382 HydrophobicContact CB-CB 4.2Å; C367-R382 PolarHBondContact N-O 3.05Å; C367-R382 PolarHBondContact O-N 2.96Å; V369-R382 HydrophobicContact CG2-CB 4.2Å; E373-R382 VanDerWaalsContact CD-NH1 3.27Å; E373-R382 IonicContact OE1-CZ 2.82Å; E373-R382 IonicContact OE1-NH1 3.78Å; E373-R382 PolarHBondContact OE1-NH1 2.78Å; E373-R382 IonicContact OE1-NH2 2.64Å; E373-R382 IonicContact OE2-CZ 2.69Å; E373-R382 IonicContact OE2-NH1 3.78Å; E373-R382 PolarHBondContact OE2-NH1 3.33Å; E373-R382 IonicContact OE2-NH2 3.43Å; E373-R382 PolarHBondContact OE2-NH2 3.35Å; R382-K384 HydrophobicContact CG-CG 4.25Å; R382-E391 HydrophobicContact CB-CG 4.19Å; R382-E391 HydrophobicContact CG-CG 4.31Å; R382-E391 IonicContact CZ-OE1 3.49Å; R382-E391 IonicContact NE-OE1 3.01Å; R382-E391 PolarHBondContact NE-OE1 3.47Å; R382-E391 IonicContact NH2-OE1 3.96Å; R382-E391 PolarHBondContact NH2-OE1 2.85Å
383	I	93	Very high	82.1	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.5	169	-67.7	169.7	0	0	0	109	L341 M364 L366 F381 A385 C389 V390 V392 L407	L341-I383 HydrophobicContact CD2-CD1 3.68Å; M364-I383 HydrophobicContact CE-CB 4.31Å; M364-I383 HydrophobicContact CE-CD1 4.09Å; M364-I383 HydrophobicContact CE-CG1 3.94Å; M364-I383 HydrophobicContact CE-CG2 3.52Å; M364-I383 HydrophobicContact CG-CG2 4.18Å; M364-I383 HydrophobicContact SD-CG2 3.67Å; L366-I383 HydrophobicContact CD2-CG1 3.99Å; F381-I383 HydrophobicContact CD2-CG1 4.19Å; F381-I383 HydrophobicContact CE2-CD1 4.17Å; F381-I383 HydrophobicContact CE2-CG1 3.83Å; I383-A385 HydrophobicContact CG2-CB 4.47Å; I383-C389 CarbonylContact O-C 3.55Å; I383-C389 VanDerWaalsContact O-CA 3.3Å; I383-C389 WeakPolarHBondContact O-CA 3.34Å; I383-V390 HydrophobicContact CB-CG1 4Å; I383-V390 HydrophobicContact CG2-CG1 4.36Å; I383-V390 PolarHBondContact N-O 3.4Å; I383-V390 PolarHBondContact O-N 3.2Å; I383-V392 HydrophobicContact CD1-CG2 4.03Å; I383-L407 HydrophobicContact CD1-CD2 4.14Å; I383-L407 HydrophobicContact CG1-CD2 4.4Å
384	K	89.2	Confident	83.8	Confident	63 Å²	63	43 Å²	43	27%	0.274	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	100.1	171.5	-66.6	172	-176	167.3	0	109.3	M364 T365 C367 R382	M364-K384 CarbonylContact C-O 3.45Å; M364-K384 WeakPolarHBondContact CA-O 3.37Å; T365-K384 PolarHBondContact N-O 3.44Å; T365-K384 PolarHBondContact O-N 2.91Å; T365-K384 WeakPolarHBondContact OG1-CB 3.4Å; T365-K384 PolarHBondContact OG1-O 3.44Å; C367-K384 PolarHBondContact SG-NZ 2.91Å; R382-K384 HydrophobicContact CG-CG 4.25Å
385	A	87	Confident	85.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.			trans	-119.3	172.5	176.6	0	0	0	0	0	111.6	I359 M364 I383 E387 L388	I359-A385 HydrophobicContact CG2-CB 3.28Å; M364-A385 HydrophobicContact CB-CB 4.08Å; M364-A385 HydrophobicContact CG-CB 3.91Å; M364-A385 HydrophobicContact SD-CB 3.9Å; I383-A385 HydrophobicContact CG2-CB 4.47Å; A385-E387 PolarHBondContact O-N 3.22Å; A385-L388 PolarHBondContact N-O 3.44Å; A385-L388 PolarHBondContact O-N 3.29Å
386	K	79.8	Confident	86.9	Confident	77 Å²	77	41.7 Å²	41.7	34%	0.335	21%	0.214	S	C	.	.	S	Bend	trans	-58.8	-45.6	-176.7	-167.8	175.7	-176.8	164	0	112.1	E437 A439 E486 S487	K386-E437 WeakPolarHBondContact CE-O 2.99Å; K386-E437 WeakPolarHBondContact CG-O 3.44Å; K386-A439 WeakPolarHBondContact O-CB 3.4Å; K386-A439 PolarHBondContact O-N 3.07Å; K386-E486 WeakPolarHBondContact CE-OE2 3.23Å; K386-E486 IonicContact NZ-OE2 2.71Å; K386-E486 PolarHBondContact NZ-OE2 3.1Å; K386-S487 WeakPolarHBondContact O-CB 3.45Å
387	E	79.6	Confident	88.1	Confident	91 Å²	91	37.6 Å²	37.6	43%	0.425	19%	0.192	S	C	.	.	S	Bend	trans	-84.2	-30.7	-178.5	-52.7	70.6	-147.8	0	0	113	G360 A385	G360-E387 PolarHBondContact N-OE2 3.09Å; G360-E387 VanDerWaalsContact N-OE2 3.15Å; A385-E387 PolarHBondContact O-N 3.22Å
388	L	84.3	Confident	88.9	Confident	24 Å²	24	41.9 Å²	41.9	13%	0.126	21%	0.214	C	C	.	.			trans	-147.2	128	-168.1	-172.9	64.9	0	0	0	113.7	I359 A385 V390	I359-L388 HydrophobicContact CD1-CD2 3.8Å; I359-L388 HydrophobicContact CG1-CB 4.46Å; I359-L388 HydrophobicContact CG1-CD2 4.27Å; A385-L388 PolarHBondContact N-O 3.44Å; A385-L388 PolarHBondContact O-N 3.29Å; L388-V390 HydrophobicContact CD1-CB 4.37Å; L388-V390 HydrophobicContact CD2-CB 3.98Å; L388-V390 HydrophobicContact CD2-CG1 3.62Å; L388-V390 HydrophobicContact CG-CB 3.94Å; L388-V390 HydrophobicContact CG-CG1 3.83Å
389	C	86.9	Confident	89.5	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.5	158.7	176.7	0	0	0	0	109.1	R322 I383 A439	R322-C389 PolarHBondContact NE-O 2.71Å; R322-C389 PolarHBondContact NH2-O 2.88Å; I383-C389 CarbonylContact O-C 3.55Å; I383-C389 VanDerWaalsContact O-CA 3.3Å; I383-C389 WeakPolarHBondContact O-CA 3.34Å; C389-A439 VanDerWaalsContact CB-O 3.3Å; C389-A439 WeakPolarHBondContact CB-O 3.36Å
390	V	89.2	Confident	89.8	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	139.4	-172.2	60	0	0	0	0	112.2	K319 M343 I383 L388 V392	K319-V390 HydrophobicContact CD-CG2 4.19Å; K319-V390 HydrophobicContact CG-CG2 3.81Å; M343-V390 HydrophobicContact CE-CG1 4.32Å; I383-V390 HydrophobicContact CB-CG1 4Å; I383-V390 HydrophobicContact CG2-CG1 4.36Å; I383-V390 PolarHBondContact N-O 3.4Å; I383-V390 PolarHBondContact O-N 3.2Å; L388-V390 HydrophobicContact CD1-CB 4.37Å; L388-V390 HydrophobicContact CD2-CB 3.98Å; L388-V390 HydrophobicContact CD2-CG1 3.62Å; L388-V390 HydrophobicContact CG-CB 3.94Å; L388-V390 HydrophobicContact CG-CG1 3.83Å; V390-V392 HydrophobicContact CG1-CG2 4.31Å; V390-V392 HydrophobicContact CG2-CG2 4.33Å
391	E	90.2	Very high	90	Very high	22 Å²	22	38.9 Å²	38.9	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.2	168.7	-57.2	78.7	-176.9	0	0	111	L320 V369 I375 F381 R382	L320-E391 HydrophobicContact CB-CB 4.08Å; L320-E391 HydrophobicContact CD1-CB 4.28Å; L320-E391 HydrophobicContact CD2-CB 3.95Å; L320-E391 HydrophobicContact CG-CB 4.32Å; L320-E391 PolarHBondContact N-O 2.89Å; L320-E391 VanDerWaalsContact N-O 3.09Å; V369-E391 HydrophobicContact CG2-CG 4.47Å; I375-E391 HydrophobicContact CD1-CG 4.28Å; F381-E391 WeakPolarHBondContact O-CA 3.46Å; R382-E391 HydrophobicContact CB-CG 4.19Å; R382-E391 HydrophobicContact CG-CG 4.31Å; R382-E391 IonicContact CZ-OE1 3.49Å; R382-E391 IonicContact NE-OE1 3.01Å; R382-E391 PolarHBondContact NE-OE1 3.47Å; R382-E391 IonicContact NH2-OE1 3.96Å; R382-E391 PolarHBondContact NH2-OE1 2.85Å
392	V	92.2	Very high	90.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.8	-176.7	-175.6	0	0	0	0	108.9	A317 K318 L334 M343 C380 F381 I383 V390 F394	A317-V392 HydrophobicContact CB-CG1 3.73Å; K318-V392 CarbonylContact O-C 3.55Å; K318-V392 WeakPolarHBondContact O-CA 3.48Å; L334-V392 HydrophobicContact CD1-CG1 4.3Å; M343-V392 HydrophobicContact CE-CG2 4.06Å; C380-V392 CarbonylContact C-O 3.49Å; C380-V392 WeakPolarHBondContact CA-O 3.3Å; C380-V392 VanDerWaalsContact CB-O 3.3Å; C380-V392 WeakPolarHBondContact CB-O 3.26Å; F381-V392 PolarHBondContact N-O 2.85Å; F381-V392 PolarHBondContact O-N 2.95Å; I383-V392 HydrophobicContact CD1-CG2 4.03Å; V390-V392 HydrophobicContact CG1-CG2 4.31Å; V390-V392 HydrophobicContact CG2-CG2 4.33Å; V392-F394 HydrophobicContact CB-CE2 4.38Å; V392-F394 HydrophobicContact CB-CZ 4.45Å; V392-F394 HydrophobicContact CG1-CE1 4.29Å; V392-F394 HydrophobicContact CG1-CE2 3.88Å; V392-F394 HydrophobicContact CG1-CZ 3.62Å
393	A	91.5	Very high	90.5	Very high	2 Å²	2	41 Å²	41	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149	180	0	0	0	0	0	111.8	K318 L320 V377 H379 C380	K318-A393 HydrophobicContact CB-CB 4.41Å; K318-A393 PolarHBondContact N-O 3.25Å; K318-A393 PolarHBondContact O-N 2.92Å; L320-A393 HydrophobicContact CD1-CB 4.05Å; V377-A393 HydrophobicContact CG1-CB 3.6Å; H379-A393 WeakPolarHBondContact O-CA 3.49Å; C380-A393 HydrophobicContact CB-CB 3.67Å
394	F	93.9	Very high	90.6	Very high	20 Å²	20	44.4 Å²	44.4	9%	0.088	22%	0.223	C	C	.	.			trans	-116.6	-177	-175	-60.6	-85.2	0	0	0	111.2	A317 L334 H379 F381 V392 E399 K400 W403	A317-F394 HydrophobicContact CB-CD1 4.22Å; A317-F394 HydrophobicContact CB-CE1 3.81Å; A317-F394 HydrophobicContact CB-CZ 4.43Å; L334-F394 HydrophobicContact CD1-CE1 4.35Å; L334-F394 HydrophobicContact CD1-CZ 4.46Å; H379-F394 PolarHBondContact O-N 3.34Å; F381-F394 HydrophobicContact CD1-CD2 4.47Å; F381-F394 AromaticContact CD1-CE2 3.84Å; F381-F394 HydrophobicContact CD1-CE2 3.84Å; F381-F394 HydrophobicContact CE1-CD2 4.19Å; F381-F394 AromaticContact CE1-CE2 3.34Å; F381-F394 HydrophobicContact CE1-CE2 3.34Å; F381-F394 AromaticContact CE1-CZ 3.92Å; F381-F394 HydrophobicContact CE1-CZ 3.92Å; F381-F394 AromaticContact CZ-CE2 3.8Å; F381-F394 HydrophobicContact CZ-CE2 3.8Å; F381-F394 AromaticContact CZ-CZ 3.97Å; F381-F394 HydrophobicContact CZ-CZ 3.97Å; V392-F394 HydrophobicContact CB-CE2 4.38Å; V392-F394 HydrophobicContact CB-CZ 4.45Å; V392-F394 HydrophobicContact CG1-CE1 4.29Å; V392-F394 HydrophobicContact CG1-CE2 3.88Å; V392-F394 HydrophobicContact CG1-CZ 3.62Å; F394-E399 HydrophobicContact CB-CB 3.93Å; F394-K400 HydrophobicContact CB-CB 4.44Å; F394-K400 HydrophobicContact CD2-CB 4.12Å; F394-K400 HydrophobicContact CD2-CG 4.49Å; F394-W403 HydrophobicContact CD1-CB 4.37Å; F394-W403 AromaticContact CD1-CD1 3.55Å; F394-W403 AromaticContact CD1-CG 3.94Å; F394-W403 HydrophobicContact CD1-CG 3.94Å; F394-W403 HydrophobicContact CE1-CB 3.72Å; F394-W403 AromaticContact CE1-CD1 3.32Å; F394-W403 AromaticContact CE1-CD2 3.74Å; F394-W403 HydrophobicContact CE1-CD2 3.74Å; F394-W403 AromaticContact CE1-CG 3.27Å; F394-W403 HydrophobicContact CE1-CG 3.27Å; F394-W403 AromaticContact CE1-NE1 3.79Å; F394-W403 HydrophobicContact CE2-CB 4.25Å; F394-W403 HydrophobicContact CZ-CB 3.65Å; F394-W403 HydrophobicContact CZ-CD2 4.21Å; F394-W403 AromaticContact CZ-CG 3.7Å; F394-W403 HydrophobicContact CZ-CG 3.7Å
395	S	91.4	Very high	90.9	Very high	95 Å²	95	48.1 Å²	48.1	66%	0.664	24%	0.235	S	C	*	.	S	Bend	trans	-80.9	-30.7	-176.7	32.1	0	0	0	0	114.5
396	N	92.4	Very high	91.3	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	25%	0.245	S	C	.	.	S	Bend	trans	-154.4	178.3	-179.3	59.9	15.1	0	0	0	108.8	H379 D398 E399 K400	H379-N396 WeakPolarHBondContact CB-O 3.47Å; H379-N396 VanDerWaalsContact CD2-CA 3.49Å; H379-N396 WeakPolarHBondContact CD2-CA 3.34Å; N396-D398 PolarHBondContact OD1-N 2.93Å; N396-E399 VanDerWaalsContact OD1-CB 3.25Å; N396-E399 WeakPolarHBondContact OD1-CB 3.36Å; N396-E399 VanDerWaalsContact OD1-CG 3.27Å; N396-E399 WeakPolarHBondContact OD1-CG 3.44Å; N396-E399 PolarHBondContact OD1-N 3.46Å; N396-K400 PolarHBondContact O-N 3.47Å
397	D	91.9	Very high	92	Very high	55 Å²	55	46.6 Å²	46.6	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-73.3	-33	179.2	-139.4	69.1	0	0	0	112.3	H379 E399 K400 Q401	H379-D397 PolarHBondContact CE1-N 3.23Å; H379-D397 IonicContact CE1-OD1 3.59Å; H379-D397 IonicContact CG-OD1 2.82Å; H379-D397 WeakPolarHBondContact ND1-CA 3.21Å; H379-D397 WeakPolarHBondContact ND1-CB 3.49Å; H379-D397 PolarHBondContact ND1-N 3.02Å; H379-D397 IonicContact ND1-OD1 2.85Å; H379-D397 PolarHBondContact ND1-OD1 3.43Å; D397-E399 VanDerWaalsContact C-N 3.31Å; D397-E399 PolarHBondContact O-N 2.86Å; D397-K400 CarbonylContact O-C 3.55Å; D397-K400 WeakPolarHBondContact O-CA 3.49Å; D397-K400 WeakPolarHBondContact O-CB 3.46Å; D397-K400 PolarHBondContact O-N 3.32Å; D397-K400 WeakPolarHBondContact OD1-CD 3.36Å; D397-K400 IonicContact OD1-NZ 3.21Å; D397-Q401 VanDerWaalsContact O-CG 3.28Å; D397-Q401 WeakPolarHBondContact O-CG 3.3Å; D397-Q401 PolarHBondContact O-N 3.28Å; D397-Q401 WeakPolarHBondContact OD2-CG 3.19Å; D397-Q401 PolarHBondContact OD2-NE2 3.47Å
398	D	92.9	Very high	92.7	Very high	128 Å²	128	44.9 Å²	44.9	68%	0.684	22%	0.222	S	C	*	.	H	α-helix	trans	-57.7	-43.2	179.1	-58.4	-58.9	0	0	0	112.1	N396 Q401 L402	N396-D398 PolarHBondContact OD1-N 2.93Å; D398-Q401 PolarHBondContact O-N 3.07Å; D398-L402 VanDerWaalsContact O-CB 3.3Å; D398-L402 WeakPolarHBondContact O-CB 3.37Å; D398-L402 PolarHBondContact O-N 3.3Å
399	E	93.9	Very high	93.1	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-42	172.3	-75.4	-71.8	156.7	0	0	112	F394 N396 D397 Q401 L402 W403	F394-E399 HydrophobicContact CB-CB 3.93Å; N396-E399 VanDerWaalsContact OD1-CB 3.25Å; N396-E399 WeakPolarHBondContact OD1-CB 3.36Å; N396-E399 VanDerWaalsContact OD1-CG 3.27Å; N396-E399 WeakPolarHBondContact OD1-CG 3.44Å; N396-E399 PolarHBondContact OD1-N 3.46Å; D397-E399 VanDerWaalsContact C-N 3.31Å; D397-E399 PolarHBondContact O-N 2.86Å; E399-Q401 VanDerWaalsContact C-N 3.32Å; E399-Q401 PolarHBondContact O-N 3.46Å; E399-L402 PolarHBondContact O-N 2.92Å; E399-W403 WeakPolarHBondContact O-CB 3.44Å; E399-W403 VanDerWaalsContact O-CD1 3.29Å; E399-W403 PolarHBondContact O-N 3Å
400	K	94.1	Very high	93.4	Very high	19 Å²	19	48.7 Å²	48.7	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-44.8	173.9	177	-145.5	174.8	-171.4	0	110.8	E368 H379 F381 F394 N396 D397 W404	E368-K400 IonicContact OE1-NZ 2.74Å; E368-K400 PolarHBondContact OE1-NZ 3.28Å; H379-K400 HydrophobicContact CB-CB 4.29Å; F381-K400 HydrophobicContact CD1-CG 3.96Å; F394-K400 HydrophobicContact CB-CB 4.44Å; F394-K400 HydrophobicContact CD2-CB 4.12Å; F394-K400 HydrophobicContact CD2-CG 4.49Å; N396-K400 PolarHBondContact O-N 3.47Å; D397-K400 CarbonylContact O-C 3.55Å; D397-K400 WeakPolarHBondContact O-CA 3.49Å; D397-K400 WeakPolarHBondContact O-CB 3.46Å; D397-K400 PolarHBondContact O-N 3.32Å; D397-K400 WeakPolarHBondContact OD1-CD 3.36Å; D397-K400 IonicContact OD1-NZ 3.21Å; K400-W404 WeakPolarHBondContact O-CB 3.33Å; K400-W404 PolarHBondContact O-N 2.87Å
401	Q	94.1	Very high	93.5	Very high	77 Å²	77	48.7 Å²	48.7	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-72.5	-36.4	-179.4	-60.7	-59.1	-20.7	0	0	112.3	D397 D398 E399 R405	D397-Q401 VanDerWaalsContact O-CG 3.28Å; D397-Q401 WeakPolarHBondContact O-CG 3.3Å; D397-Q401 PolarHBondContact O-N 3.28Å; D397-Q401 WeakPolarHBondContact OD2-CG 3.19Å; D397-Q401 PolarHBondContact OD2-NE2 3.47Å; D398-Q401 PolarHBondContact O-N 3.07Å; E399-Q401 VanDerWaalsContact C-N 3.32Å; E399-Q401 PolarHBondContact O-N 3.46Å; Q401-R405 VanDerWaalsContact O-CB 3.28Å; Q401-R405 WeakPolarHBondContact O-CB 3.44Å; Q401-R405 PolarHBondContact O-N 3.22Å
402	L	95.7	Very high	93.5	Very high	52 Å²	52	51.3 Å²	51.3	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-54.5	172.3	177.9	63.2	0	0	0	110.6	L313 D398 E399 W404 R405 E406	L313-L402 HydrophobicContact CD1-CD2 4.35Å; L313-L402 HydrophobicContact CD2-CG 4.2Å; D398-L402 VanDerWaalsContact O-CB 3.3Å; D398-L402 WeakPolarHBondContact O-CB 3.37Å; D398-L402 PolarHBondContact O-N 3.3Å; E399-L402 PolarHBondContact O-N 2.92Å; L402-W404 VanDerWaalsContact C-N 3.31Å; L402-W404 PolarHBondContact O-N 2.98Å; L402-R405 PolarHBondContact O-N 3.37Å; L402-R405 VanDerWaalsContact O-N 3.17Å; L402-E406 HydrophobicContact CD1-CG 4.03Å; L402-E406 PolarHBondContact O-N 3Å
403	W	96.4	Very high	93.2	Very high	2 Å²	2	55 Å²	55	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-36.9	177.8	-85.5	92.4	0	0	0	112.7	L313 L334 L336 L341 F381 F394 E399 L407	L313-W403 HydrophobicContact CB-CH2 4.3Å; L313-W403 HydrophobicContact CD2-CD2 3.51Å; L313-W403 VanDerWaalsContact CD2-CE2 3.48Å; L313-W403 HydrophobicContact CD2-CE3 3.85Å; L313-W403 HydrophobicContact CD2-CG 3.91Å; L313-W403 HydrophobicContact CD2-CH2 4.07Å; L313-W403 HydrophobicContact CD2-CZ2 3.78Å; L313-W403 HydrophobicContact CD2-CZ3 4.12Å; L313-W403 HydrophobicContact CG-CD2 4.36Å; L313-W403 HydrophobicContact CG-CH2 3.91Å; L313-W403 HydrophobicContact CG-CZ2 3.69Å; L313-W403 HydrophobicContact CG-CZ3 4.37Å; L334-W403 HydrophobicContact CB-CH2 3.38Å; L334-W403 HydrophobicContact CB-CZ2 3.98Å; L334-W403 HydrophobicContact CB-CZ3 3.78Å; L334-W403 HydrophobicContact CD1-CD2 4.46Å; L334-W403 HydrophobicContact CD1-CE3 4.08Å; L334-W403 HydrophobicContact CD1-CH2 4.16Å; L334-W403 HydrophobicContact CD1-CZ2 4.49Å; L334-W403 HydrophobicContact CD1-CZ3 3.92Å; L334-W403 HydrophobicContact CG-CH2 4.38Å; L336-W403 HydrophobicContact CB-CZ3 4.11Å; L341-W403 HydrophobicContact CD1-CZ3 4.2Å; F381-W403 HydrophobicContact CE1-CB 4.18Å; F381-W403 HydrophobicContact CZ-CB 4.25Å; F394-W403 HydrophobicContact CD1-CB 4.37Å; F394-W403 AromaticContact CD1-CD1 3.55Å; F394-W403 AromaticContact CD1-CG 3.94Å; F394-W403 HydrophobicContact CD1-CG 3.94Å; F394-W403 HydrophobicContact CE1-CB 3.72Å; F394-W403 AromaticContact CE1-CD1 3.32Å; F394-W403 AromaticContact CE1-CD2 3.74Å; F394-W403 HydrophobicContact CE1-CD2 3.74Å; F394-W403 AromaticContact CE1-CG 3.27Å; F394-W403 HydrophobicContact CE1-CG 3.27Å; F394-W403 AromaticContact CE1-NE1 3.79Å; F394-W403 HydrophobicContact CE2-CB 4.25Å; F394-W403 HydrophobicContact CZ-CB 3.65Å; F394-W403 HydrophobicContact CZ-CD2 4.21Å; F394-W403 AromaticContact CZ-CG 3.7Å; F394-W403 HydrophobicContact CZ-CG 3.7Å; E399-W403 WeakPolarHBondContact O-CB 3.44Å; E399-W403 VanDerWaalsContact O-CD1 3.29Å; E399-W403 PolarHBondContact O-N 3Å; W403-L407 WeakPolarHBondContact O-CB 3.32Å; W403-L407 PolarHBondContact O-N 3.42Å
404	W	95.4	Very high	92.8	Very high	72 Å²	72	56.9 Å²	56.9	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-46.5	173.5	-179	-77.9	0	0	0	111.6	L366 F381 K400 L402 Q408	L366-W404 HydrophobicContact CB-CD2 4.41Å; L366-W404 HydrophobicContact CB-CE3 4.04Å; L366-W404 HydrophobicContact CB-CH2 3.61Å; L366-W404 HydrophobicContact CB-CZ2 3.99Å; L366-W404 HydrophobicContact CB-CZ3 3.64Å; L366-W404 HydrophobicContact CD1-CD2 3.96Å; L366-W404 HydrophobicContact CD1-CE3 4.12Å; L366-W404 HydrophobicContact CD1-CG 4.28Å; F381-W404 HydrophobicContact CB-CE3 3.95Å; F381-W404 HydrophobicContact CB-CZ3 3.9Å; F381-W404 AromaticContact CD1-CE3 3.93Å; F381-W404 HydrophobicContact CD1-CE3 3.93Å; F381-W404 HydrophobicContact CD2-CE3 4.28Å; F381-W404 HydrophobicContact CE1-CB 4.18Å; F381-W404 HydrophobicContact CE1-CE3 4.44Å; F381-W404 AromaticContact CG-CE3 3.84Å; F381-W404 HydrophobicContact CG-CE3 3.84Å; F381-W404 HydrophobicContact CG-CZ3 4.21Å; K400-W404 WeakPolarHBondContact O-CB 3.33Å; K400-W404 PolarHBondContact O-N 2.87Å; L402-W404 VanDerWaalsContact C-N 3.31Å; L402-W404 PolarHBondContact O-N 2.98Å; W404-Q408 WeakPolarHBondContact O-CB 3.33Å; W404-Q408 PolarHBondContact O-N 2.98Å
405	R	95.9	Very high	92	Very high	142 Å²	142	59.7 Å²	59.7	54%	0.536	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-55.1	-177.3	-172.1	-165.5	-52.2	138.4	7	112.4	Q401 L402 L407 Q408 Q409	Q401-R405 VanDerWaalsContact O-CB 3.28Å; Q401-R405 WeakPolarHBondContact O-CB 3.44Å; Q401-R405 PolarHBondContact O-N 3.22Å; L402-R405 PolarHBondContact O-N 3.37Å; L402-R405 VanDerWaalsContact O-N 3.17Å; R405-L407 VanDerWaalsContact C-N 3.29Å; R405-L407 PolarHBondContact O-N 3.31Å; R405-Q408 PolarHBondContact O-N 2.89Å; R405-Q409 WeakPolarHBondContact O-CB 3.47Å; R405-Q409 PolarHBondContact O-N 3.18Å
406	E	95.4	Very high	91.1	Very high	44 Å²	44	61.5 Å²	61.5	21%	0.206	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-38.3	-177.4	-62	-53.7	127.2	0	0	111.2	L313 L336 L402 Q409 A410	L313-E406 HydrophobicContact CD2-CB 4.14Å; L313-E406 HydrophobicContact CD2-CG 4.09Å; L336-E406 HydrophobicContact CD2-CB 4.12Å; L402-E406 HydrophobicContact CD1-CG 4.03Å; L402-E406 PolarHBondContact O-N 3Å; E406-Q409 PolarHBondContact O-N 3Å; E406-A410 WeakPolarHBondContact O-CB 3.25Å; E406-A410 PolarHBondContact O-N 3.16Å
407	L	95.1	Very high	89.8	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-70.2	-40.3	178.3	-171	58.5	0	0	0	112.3	L336 L341 L361 M364 L366 F381 I383 W403 R405 A410 I411	L336-L407 HydrophobicContact CD1-CD1 3.53Å; L336-L407 HydrophobicContact CD2-CB 4.2Å; L336-L407 HydrophobicContact CD2-CD1 4.06Å; L336-L407 HydrophobicContact CG-CD1 4.4Å; L341-L407 HydrophobicContact CD2-CD1 4.23Å; L341-L407 HydrophobicContact CD2-CD2 4.36Å; L361-L407 HydrophobicContact CD2-CD1 3.89Å; M364-L407 HydrophobicContact CE-CD1 3.65Å; M364-L407 HydrophobicContact CE-CD2 3.62Å; M364-L407 HydrophobicContact CE-CG 3.74Å; L366-L407 HydrophobicContact CD1-CB 4.28Å; L366-L407 HydrophobicContact CD1-CD2 4.28Å; L366-L407 HydrophobicContact CD1-CG 4.24Å; L366-L407 HydrophobicContact CD2-CD2 3.66Å; L366-L407 HydrophobicContact CD2-CG 4.08Å; F381-L407 HydrophobicContact CE2-CD2 4.02Å; F381-L407 HydrophobicContact CZ-CD2 4.12Å; I383-L407 HydrophobicContact CD1-CD2 4.14Å; I383-L407 HydrophobicContact CG1-CD2 4.4Å; W403-L407 WeakPolarHBondContact O-CB 3.32Å; W403-L407 PolarHBondContact O-N 3.42Å; R405-L407 VanDerWaalsContact C-N 3.29Å; R405-L407 PolarHBondContact O-N 3.31Å; L407-A410 PolarHBondContact O-N 3.43Å; L407-I411 HydrophobicContact CG-CD1 4.37Å; L407-I411 WeakPolarHBondContact O-CD1 3.27Å; L407-I411 WeakPolarHBondContact O-CG1 3.1Å; L407-I411 PolarHBondContact O-N 3.02Å
408	Q	94.1	Very high	87.7	Confident	55 Å²	55	66.9 Å²	66.9	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-42.7	174	-173.5	58.3	56.7	0	0	111.1	L366 W404 R405 A410 I411 D412	L366-Q408 HydrophobicContact CD1-CB 4.17Å; W404-Q408 WeakPolarHBondContact O-CB 3.33Å; W404-Q408 PolarHBondContact O-N 2.98Å; R405-Q408 PolarHBondContact O-N 2.89Å; Q408-A410 PolarHBondContact O-N 2.94Å; Q408-I411 PolarHBondContact O-N 3.12Å; Q408-D412 VanDerWaalsContact NE2-CG 3.33Å; Q408-D412 PolarHBondContact NE2-OD1 2.99Å; Q408-D412 PolarHBondContact NE2-OD2 3.17Å; Q408-D412 WeakPolarHBondContact O-CB 3.21Å; Q408-D412 VanDerWaalsContact O-CG 3.26Å; Q408-D412 PolarHBondContact O-N 3.46Å
409	Q	93.4	Very high	85.5	Confident	106 Å²	106	67.9 Å²	67.9	50%	0.495	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.1	-176.8	171.7	-7.7	0	0	112	R405 E406 D412 C413	R405-Q409 WeakPolarHBondContact O-CB 3.47Å; R405-Q409 PolarHBondContact O-N 3.18Å; E406-Q409 PolarHBondContact O-N 3Å; Q409-D412 PolarHBondContact O-N 2.95Å; Q409-C413 WeakPolarHBondContact O-CB 3.46Å; Q409-C413 PolarHBondContact O-N 3.4Å; Q409-C413 PolarHBondContact O-SG 2.87Å; Q409-C413 VanDerWaalsContact O-SG 3.35Å
410	A	92.5	Very high	82.7	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-40.8	175.9	0	0	0	0	0	112.4	L336 L361 E406 L407 Q408 C413 E414	L336-A410 HydrophobicContact CD1-CB 4.1Å; L336-A410 HydrophobicContact CD2-CB 4.19Å; L336-A410 HydrophobicContact CG-CB 4.38Å; L361-A410 HydrophobicContact CD1-CB 3.69Å; E406-A410 WeakPolarHBondContact O-CB 3.25Å; E406-A410 PolarHBondContact O-N 3.16Å; L407-A410 PolarHBondContact O-N 3.43Å; Q408-A410 PolarHBondContact O-N 2.94Å; A410-C413 PolarHBondContact O-N 2.93Å; A410-E414 PolarHBondContact O-N 2.86Å; A410-E414 VanDerWaalsContact O-N 3.07Å
411	I	91.4	Very high	79.6	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.021	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-48.4	172.5	-68.5	162.8	0	0	0	110.6	L361 M364 L366 L407 Q408 C413 E414 C415	L361-I411 HydrophobicContact CB-CG1 4.3Å; L361-I411 HydrophobicContact CD2-CG1 4.19Å; M364-I411 HydrophobicContact CB-CD1 4.08Å; M364-I411 HydrophobicContact CB-CG1 4.23Å; M364-I411 HydrophobicContact CE-CD1 4.09Å; M364-I411 HydrophobicContact CG-CD1 3.89Å; M364-I411 HydrophobicContact CG-CG1 4.47Å; L366-I411 HydrophobicContact CD2-CD1 4.28Å; L366-I411 HydrophobicContact CG-CD1 4.17Å; L407-I411 HydrophobicContact CG-CD1 4.37Å; L407-I411 WeakPolarHBondContact O-CD1 3.27Å; L407-I411 WeakPolarHBondContact O-CG1 3.1Å; L407-I411 PolarHBondContact O-N 3.02Å; Q408-I411 PolarHBondContact O-N 3.12Å; I411-C413 VanDerWaalsContact C-N 3.33Å; I411-C413 PolarHBondContact O-N 3.33Å; I411-E414 PolarHBondContact O-N 3.07Å; I411-C415 WeakPolarHBondContact O-CB 3.44Å; I411-C415 PolarHBondContact O-N 3.28Å
412	D	90.1	Very high	76.5	Confident	76 Å²	76	75.7 Å²	75.7	41%	0.406	41%	0.411	S	S	.	.	H	α-helix	trans	-65	-36.5	-178.4	-69.1	-26.4	0	0	0	111.6	Q408 Q409 N416	Q408-D412 VanDerWaalsContact NE2-CG 3.33Å; Q408-D412 PolarHBondContact NE2-OD1 2.99Å; Q408-D412 PolarHBondContact NE2-OD2 3.17Å; Q408-D412 WeakPolarHBondContact O-CB 3.21Å; Q408-D412 VanDerWaalsContact O-CG 3.26Å; Q408-D412 PolarHBondContact O-N 3.46Å; Q409-D412 PolarHBondContact O-N 2.95Å; D412-N416 WeakPolarHBondContact O-CB 3.39Å; D412-N416 PolarHBondContact O-N 2.69Å; D412-N416 PolarHBondContact O-ND2 3.45Å
413	C	86.5	Confident	73.5	Confident	79 Å²	79	83.1 Å²	83.1	53%	0.534	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-47.2	172.8	-76.4	0	0	0	0	112.5	Q409 A410 I411 N416 R417	Q409-C413 WeakPolarHBondContact O-CB 3.46Å; Q409-C413 PolarHBondContact O-N 3.4Å; Q409-C413 PolarHBondContact O-SG 2.87Å; Q409-C413 VanDerWaalsContact O-SG 3.35Å; A410-C413 PolarHBondContact O-N 2.93Å; I411-C413 VanDerWaalsContact C-N 3.33Å; I411-C413 PolarHBondContact O-N 3.33Å; C413-N416 PolarHBondContact O-N 2.91Å; C413-R417 PolarHBondContact O-N 3.41Å
414	E	82.6	Confident	70.2	Confident	42 Å²	42	91.2 Å²	91.2	20%	0.196	49%	0.485	C	S	.	.	H	α-helix	trans	-69.5	-37.1	-179.7	-176.2	60.6	-170.9	0	0	111.9	A410 I411 N416 R417	A410-E414 PolarHBondContact O-N 2.86Å; A410-E414 VanDerWaalsContact O-N 3.07Å; I411-E414 PolarHBondContact O-N 3.07Å; E414-N416 PolarHBondContact O-N 3.38Å; E414-R417 VanDerWaalsContact O-CB 3.26Å; E414-R417 WeakPolarHBondContact O-CB 3.44Å; E414-R417 PolarHBondContact O-N 3.27Å; E414-R417 IonicContact OE1-NH1 2.84Å; E414-R417 WeakPolarHBondContact OE2-CD 3.11Å; E414-R417 IonicContact OE2-CZ 2.7Å; E414-R417 IonicContact OE2-NE 3.42Å; E414-R417 IonicContact OE2-NH1 3.83Å; E414-R417 PolarHBondContact OE2-NH1 2.94Å
415	C	77.2	Confident	67.2	Low	79 Å²	79	94.3 Å²	94.3	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-22.7	174.1	-81.1	0	0	0	0	114.2	I411	I411-C415 WeakPolarHBondContact O-CB 3.44Å; I411-C415 PolarHBondContact O-N 3.28Å
416	N	72.7	Confident	64.2	Low	133 Å²	133	93.7 Å²	93.7	71%	0.711	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.7	175.9	-75.7	-61.9	0	0	0	113.6	D412 C413 E414 P418	D412-N416 WeakPolarHBondContact O-CB 3.39Å; D412-N416 PolarHBondContact O-N 2.69Å; D412-N416 PolarHBondContact O-ND2 3.45Å; C413-N416 PolarHBondContact O-N 2.91Å; E414-N416 PolarHBondContact O-N 3.38Å; N416-P418 WeakPolarHBondContact O-CD 3.28Å
417	R	65.1	Low	61.1	Low	101 Å²	101	101.7 Å²	101.7	38%	0.381	54%	0.537	S	S	.	.			trans	-75.2	117.2	-171.9	-164.4	168.6	-179.3	-179.5	-4.1	111.8	E339 C413 E414 N419 S420	E339-R417 VanDerWaalsContact CD-NH1 3.34Å; E339-R417 IonicContact OE1-CZ 2.68Å; E339-R417 VanDerWaalsContact OE1-CZ 3.23Å; E339-R417 IonicContact OE1-NH1 3.9Å; E339-R417 PolarHBondContact OE1-NH1 2.92Å; E339-R417 IonicContact OE1-NH2 2.66Å; E339-R417 PolarHBondContact OE1-NH2 2.93Å; C413-R417 PolarHBondContact O-N 3.41Å; E414-R417 VanDerWaalsContact O-CB 3.26Å; E414-R417 WeakPolarHBondContact O-CB 3.44Å; E414-R417 PolarHBondContact O-N 3.27Å; E414-R417 IonicContact OE1-NH1 2.84Å; E414-R417 WeakPolarHBondContact OE2-CD 3.11Å; E414-R417 IonicContact OE2-CZ 2.7Å; E414-R417 IonicContact OE2-NE 3.42Å; E414-R417 IonicContact OE2-NH1 3.83Å; E414-R417 PolarHBondContact OE2-NH1 2.94Å; R417-N419 PolarHBondContact O-N 2.88Å; R417-S420 PolarHBondContact O-N 3.07Å
418	P	48	Very low	58	Low	128 Å²	128	106.7 Å²	106.7	83%	0.831	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	8.7	-161.9	28.7	-37.1	0	0	0	116.6	N416	N416-P418 WeakPolarHBondContact O-CD 3.28Å
419	N	46	Very low	54.9	Low	150 Å²	150	109.7 Å²	109.7	80%	0.802	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	6.2	179.7	-88.3	-10.2	0	0	0	114.2	R417 N421	R417-N419 PolarHBondContact O-N 2.88Å; N419-N421 PolarHBondContact O-N 3.14Å
420	S	35.2	Very low	51.8	Low	97 Å²	97	112 Å²	112	68%	0.678	60%	0.601	S	S	*	*			trans	-77.1	102.4	171.1	-165	0	0	0	0	110.1	R417 G422	R417-S420 PolarHBondContact O-N 3.07Å; S420-G422 PolarHBondContact O-N 3.48Å
421	N	29.5	Very low	49.3	Very low	173 Å²	173	115.6 Å²	115.6	93%	0.925	63%	0.627	S	S	*	*			trans	-65.6	96.5	-177.5	-98.7	-29.1	0	0	0	112	N419	N419-N421 PolarHBondContact O-N 3.14Å
422	G	27.4	Very low	46.8	Very low	53 Å²	53	117.6 Å²	117.6	55%	0.546	64%	0.644	S	S	.	*	S	Bend	trans	93.8	101.5	169	0	0	0	0	0	114.7	S420	S420-G422 PolarHBondContact O-N 3.48Å
423	F	33.1	Very low	44.6	Very low	208 Å²	208	119.2 Å²	119.2	91%	0.912	65%	0.652	S	S	*	*				-176.5	62.6	120.6	-98.8	-64.4	0	0	0	111.7	E425	F423-E425 VanDerWaalsContact C-N 3.33Å; F423-E425 PolarHBondContact O-N 3.31Å; F423-E425 VanDerWaalsContact O-N 3.07Å
424	N	28.2	Very low	43.2	Very low	172 Å²	172	118.9 Å²	118.9	92%	0.92	65%	0.645	S	S	*	*			trans	-73.3	89.4	158.8	-94.7	-23.2	0	0	0	109
425	E	32.3	Very low	42.4	Very low	137 Å²	137	118.5 Å²	118.5	64%	0.64	64%	0.644	S	S	*	*			trans	-174.6	146.8	144.3	-108.9	-168	158.7	0	0	113.6	F423	F423-E425 VanDerWaalsContact C-N 3.33Å; F423-E425 PolarHBondContact O-N 3.31Å; F423-E425 VanDerWaalsContact O-N 3.07Å
426	K	31.7	Very low	41.7	Very low	129 Å²	129	114.9 Å²	114.9	56%	0.561	62%	0.62	S	S	*	*			trans	58.7	74.6	154.4	-65.9	154.9	-171.7	153.6	0	116.9	S428 I429	K426-S428 PolarHBondContact O-N 2.94Å; K426-I429 HydrophobicContact CD-CD1 4.36Å
427	K	30.7	Very low	41.5	Very low	212 Å²	212	111.7 Å²	111.7	92%	0.922	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.4	137.9	140.1	-76.4	-178.7	174.7	178.1	0	108.2
428	S	30.1	Very low	41.8	Very low	105 Å²	105	109.7 Å²	109.7	73%	0.734	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.4	37.9	179.7	-160.1	0	0	0	0	119.6	K426	K426-S428 PolarHBondContact O-N 2.94Å
429	I	29.8	Very low	43.1	Very low	119 Å²	119	104.2 Å²	104.2	61%	0.61	57%	0.566	S	S	*	*			trans	-135.7	68.3	156.5	-43.1	-178.2	0	0	0	111.8	K426	K426-I429 HydrophobicContact CD-CD1 4.36Å
430	M	28	Very low	44.7	Very low	153 Å²	153	98 Å²	98	75%	0.754	54%	0.535	S	S	*	.			trans	-99.7	112.3	-179.5	-68.1	-174	77	0	0	113.5
431	S	39.5	Very low	46.6	Very low	78 Å²	78	97.2 Å²	97.2	55%	0.545	52%	0.521	S	S	.	.	S	Bend	trans	165.9	-15.1	136.3	-77.8	0	0	0	0	115
432	A	40	Very low	49.1	Very low	45 Å²	45	92.1 Å²	92.1	37%	0.372	49%	0.489	S	S	.	.	S	Bend	trans	-94.3	-42.5	-169.8	0	0	0	0	0	114	I525	A432-I525 HydrophobicContact CB-CB 4.33Å; A432-I525 HydrophobicContact CB-CD1 3.99Å; A432-I525 HydrophobicContact CB-CG2 3.6Å
433	N	42.5	Very low	51.5	Low	110 Å²	110	92 Å²	92	59%	0.588	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-44.6	-173.9	-70.3	-23.5	0	0	0	111.5	L435	N433-L435 PolarHBondContact O-N 2.86Å
434	N	57.5	Low	53.2	Low	73 Å²	73	86.1 Å²	86.1	39%	0.39	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	17.2	-173.9	-46	78.3	0	0	0	115.5	G436 E437 V438	N434-G436 PolarHBondContact O-N 3.12Å; N434-G436 VanDerWaalsContact O-N 3.11Å; N434-E437 VanDerWaalsContact CA-OE2 3.31Å; N434-E437 WeakPolarHBondContact CA-OE2 3.44Å; N434-E437 HydrophobicContact CB-CB 4.26Å; N434-E437 WeakPolarHBondContact CB-OE2 3.28Å; N434-E437 PolarHBondContact ND2-OE2 3.49Å; N434-E437 PolarHBondContact O-N 3.45Å; N434-V438 HydrophobicContact CB-CG2 4.47Å; N434-V438 PolarHBondContact O-N 2.83Å
435	L	65.2	Low	55.4	Low	33 Å²	33	79.9 Å²	79.9	17%	0.173	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	111.5	-179.4	-174	73.6	0	0	0	109.5	N433 E437 A469 C470 D499 L502 L503	N433-L435 PolarHBondContact O-N 2.86Å; L435-E437 VanDerWaalsContact C-N 3.28Å; L435-E437 PolarHBondContact O-N 2.92Å; L435-A469 HydrophobicContact CD1-CB 4.31Å; L435-A469 WeakPolarHBondContact CD1-O 3.25Å; L435-A469 HydrophobicContact CG-CB 4.39Å; L435-C470 HydrophobicContact CD1-CB 4.48Å; L435-D499 HydrophobicContact CD2-CB 4.29Å; L435-L502 HydrophobicContact CD2-CB 3.49Å; L435-L502 VanDerWaalsContact CD2-CB 3.49Å; L435-L502 HydrophobicContact CD2-CD1 3.86Å; L435-L502 HydrophobicContact CD2-CG 4.32Å; L435-L503 HydrophobicContact CD2-CG 4.34Å; L435-L503 HydrophobicContact CG-CD2 4.47Å; L435-L503 WeakPolarHBondContact O-CD2 3.26Å
436	G	62.5	Low	57.3	Low	3 Å²	3	78.3 Å²	78.3	3%	0.031	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-15	-176.9	0	0	0	0	0	115.1	N434 E486 S487	N434-G436 PolarHBondContact O-N 3.12Å; N434-G436 VanDerWaalsContact O-N 3.11Å; G436-E486 PolarHBondContact O-N 3.21Å; G436-S487 PolarHBondContact O-N 2.82Å; G436-S487 PolarHBondContact O-OG 2.83Å
437	E	69	Low	59	Low	67 Å²	67	75.8 Å²	75.8	31%	0.313	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-51.1	167.4	-67.4	174.4	-166.6	0	0	110.5	K386 N434 L435 S487	K386-E437 WeakPolarHBondContact CE-O 2.99Å; K386-E437 WeakPolarHBondContact CG-O 3.44Å; N434-E437 VanDerWaalsContact CA-OE2 3.31Å; N434-E437 WeakPolarHBondContact CA-OE2 3.44Å; N434-E437 HydrophobicContact CB-CB 4.26Å; N434-E437 WeakPolarHBondContact CB-OE2 3.28Å; N434-E437 PolarHBondContact ND2-OE2 3.49Å; N434-E437 PolarHBondContact O-N 3.45Å; L435-E437 VanDerWaalsContact C-N 3.28Å; L435-E437 PolarHBondContact O-N 2.92Å; E437-S487 WeakPolarHBondContact O-CB 3.41Å; E437-S487 PolarHBondContact O-N 3.01Å
438	V	71.7	Confident	60.7	Low	58 Å²	58	67 Å²	67	35%	0.352	38%	0.375	S	S	.	.	S	Bend	trans	-104.6	142.3	-175.8	179.7	0	0	0	0	111.5	N434 A440	N434-V438 HydrophobicContact CB-CG2 4.47Å; N434-V438 PolarHBondContact O-N 2.83Å; V438-A440 PolarHBondContact O-N 2.6Å; V438-A440 VanDerWaalsContact O-N 3.1Å
439	A	75	Confident	62.9	Low	13 Å²	13	65.8 Å²	65.8	11%	0.107	36%	0.363	C	S	.	.			trans	-66.7	105.3	-178.5	0	0	0	0	0	112.9	K386 C389	K386-A439 WeakPolarHBondContact O-CB 3.4Å; K386-A439 PolarHBondContact O-N 3.07Å; C389-A439 VanDerWaalsContact CB-O 3.3Å; C389-A439 WeakPolarHBondContact CB-O 3.36Å
440	A	80.4	Confident	65.3	Low	20 Å²	20	64.5 Å²	64.5	17%	0.165	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-57.8	143.3	-177.5	0	0	0	0	0	114.4	V438	V438-A440 PolarHBondContact O-N 2.6Å; V438-A440 VanDerWaalsContact O-N 3.1Å
441	Q	74.8	Confident	68	Low	81 Å²	81	57.3 Å²	57.3	38%	0.379	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-68.4	134.1	165.9	-176.1	176.3	-8.9	0	0	109.5	G471	Q441-G471 WeakPolarHBondContact O-CA 3.3Å
442	W	80.8	Confident	70	Confident	65 Å²	65	55.9 Å²	55.9	25%	0.246	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-96.5	137.5	-174.4	-77.2	27	0	0	0	111.8	H466 R468	W442-H466 HydrophobicContact CD2-CB 3.92Å; W442-H466 AromaticContact CD2-CD2 3.9Å; W442-H466 AromaticContact CD2-CG 3.85Å; W442-H466 HydrophobicContact CE3-CB 3.65Å; W442-H466 AromaticContact CE3-CD2 3.47Å; W442-H466 VanDerWaalsContact CE3-CD2 3.47Å; W442-H466 AromaticContact CE3-CE1 3.95Å; W442-H466 AromaticContact CE3-CG 3.23Å; W442-H466 AromaticContact CE3-ND1 3.56Å; W442-H466 AromaticContact CE3-NE2 3.9Å; W442-H466 HydrophobicContact CH2-CB 3.93Å; W442-H466 HydrophobicContact CZ2-CB 4.18Å; W442-H466 HydrophobicContact CZ3-CB 3.65Å; W442-H466 AromaticContact CZ3-CG 3.47Å; W442-H466 VanDerWaalsContact CZ3-CG 3.47Å; W442-H466 AromaticContact CZ3-ND1 3.5Å; W442-H466 WeakPolarHBondContact CZ3-ND1 3.32Å; W442-R468 HydrophobicContact CZ2-CG 4.18Å
443	V	77.7	Confident	72	Confident	51 Å²	51	56.5 Å²	56.5	31%	0.309	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-72.3	128.2	172.2	177.4	0	0	0	0	108.7	S447 H466 G471 K472 L473	V443-S447 WeakPolarHBondContact CG1-OG 3.49Å; V443-H466 PolarHBondContact O-CD2 2.9Å; V443-H466 PolarHBondContact O-NE2 3.16Å; V443-G471 PolarHBondContact N-O 3.44Å; V443-K472 HydrophobicContact CG2-CB 4.5Å; V443-K472 HydrophobicContact CG2-CG 4.17Å; V443-L473 HydrophobicContact CB-CD1 4.41Å; V443-L473 HydrophobicContact CB-CG 4.36Å; V443-L473 HydrophobicContact CG1-CD1 3.92Å; V443-L473 HydrophobicContact CG1-CG 4.32Å
444	K	70.8	Confident	74.1	Confident	84 Å²	84	53.7 Å²	53.7	37%	0.365	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-56	139.2	176.4	-72.3	-168.6	-176.2	-171.5	0	110.5	E374 E446 S447 L473	E374-K444 PolarHBondContact O-NZ 3Å; E374-K444 IonicContact OE2-NZ 2.68Å; E374-K444 PolarHBondContact OE2-NZ 3.17Å; K444-E446 WeakPolarHBondContact CB-OE2 3.18Å; K444-E446 PolarHBondContact O-N 3.4Å; K444-S447 PolarHBondContact N-OG 3.17Å; K444-S447 PolarHBondContact O-N 3.18Å; K444-S447 PolarHBondContact O-OG 3.31Å; K444-L473 WeakPolarHBondContact O-CD1 3.29Å
445	D	72.8	Confident	75.3	Confident	42 Å²	42	53 Å²	53	23%	0.225	29%	0.294	C	S	.	.	S	Bend	trans	-60.8	-31.8	-178.3	-84	-52.9	0	0	0	111.6	R464 H466 L473	D445-R464 WeakPolarHBondContact O-CD 3.36Å; D445-R464 PolarHBondContact O-NE 3.12Å; D445-R464 WeakPolarHBondContact OD1-CB 3.5Å; D445-R464 WeakPolarHBondContact OD1-CD 3.48Å; D445-H466 IonicContact OD1-CE1 2.75Å; D445-H466 PolarHBondContact OD1-CE1 2.93Å; D445-H466 VanDerWaalsContact OD1-CE1 3.24Å; D445-H466 IonicContact OD1-NE2 3.74Å; D445-H466 IonicContact OD2-CE1 3.24Å; D445-H466 PolarHBondContact OD2-CE1 3.37Å; D445-L473 WeakPolarHBondContact OD1-CD2 3.47Å
446	E	72.2	Confident	75.9	Confident	104 Å²	104	55 Å²	55	49%	0.486	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-38	-179.9	-54	70	-150.8	0	0	111.7	I325 K444 S448	I325-E446 WeakPolarHBondContact CD1-OE1 3.3Å; I325-E446 VanDerWaalsContact CG1-OE1 3.31Å; I325-E446 WeakPolarHBondContact CG1-OE1 3.25Å; K444-E446 WeakPolarHBondContact CB-OE2 3.18Å; K444-E446 PolarHBondContact O-N 3.4Å; E446-S448 PolarHBondContact O-N 3.42Å
447	S	67	Low	76.7	Confident	76 Å²	76	60.8 Å²	60.8	53%	0.531	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	7.2	-176.5	68.5	0	0	0	0	115.3	V443 K444	V443-S447 WeakPolarHBondContact CG1-OG 3.49Å; K444-S447 PolarHBondContact N-OG 3.17Å; K444-S447 PolarHBondContact O-N 3.18Å; K444-S447 PolarHBondContact O-OG 3.31Å
448	S	67.9	Low	77.3	Confident	28 Å²	28	58.3 Å²	58.3	20%	0.196	32%	0.322	C	S	.	.			trans	-149.9	119.3	174.6	-153.9	0	0	0	0	112.2	E446 M450 R464	E446-S448 PolarHBondContact O-N 3.42Å; S448-M450 PolarHBondContact OG-O 3.24Å; S448-M450 VanDerWaalsContact OG-O 3.07Å; S448-R464 PolarHBondContact O-NE 2.8Å; S448-R464 PolarHBondContact O-NH2 2.9Å
449	T	76.2	Confident	77.9	Confident	79 Å²	79	58.9 Å²	58.9	49%	0.485	33%	0.326	S	S	.	.	S	Bend	trans	-82.2	-18.8	171.2	51.3	0	0	0	0	112.7	E457 F458	T449-E457 CarbonylContact O-C 3.57Å; T449-E457 WeakPolarHBondContact O-CA 3.2Å; T449-F458 WeakPolarHBondContact O-CD2 3.43Å; T449-F458 PolarHBondContact O-N 2.91Å
450	M	80.1	Confident	78	Confident	92 Å²	92	63.9 Å²	63.9	45%	0.453	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-130.3	151.1	-169.8	-68.2	179.9	-79.8	0	0	113.6	S448 T452 C455 E457 F458	S448-M450 PolarHBondContact OG-O 3.24Å; S448-M450 VanDerWaalsContact OG-O 3.07Å; M450-T452 PolarHBondContact O-N 2.83Å; M450-C455 WeakPolarHBondContact CG-O 3.38Å; M450-C455 VanDerWaalsContact SD-O 3.37Å; M450-E457 HydrophobicContact CG-CB 4.5Å; M450-F458 VanDerWaalsContact O-CE2 3.23Å; M450-F458 WeakPolarHBondContact O-CE2 3.44Å
451	C	84.2	Confident	78.1	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.014	39%	0.387	C	S	.	.			trans	-63.4	122.5	174.2	174	0	0	0	0	112.3	N453 C454 C455 T456 F458 C475	C451-N453 PolarHBondContact O-N 2.67Å; C451-C454 PolarHBondContact O-N 3.23Å; C451-C454 PolarHBondContact SG-SG 3.17Å; C451-C455 VanDerWaalsContact O-CA 3.28Å; C451-C455 WeakPolarHBondContact O-CA 3.49Å; C451-C455 PolarHBondContact O-N 3.19Å; C451-T456 PolarHBondContact N-O 3.02Å; C451-F458 HydrophobicContact CB-CE1 4.29Å; C451-F458 HydrophobicContact CB-CZ 4.18Å; C451-C475 HydrophobicContact CB-CB 4.18Å; C451-C475 PolarHBondContact SG-N 3.08Å
452	T	82.8	Confident	78.7	Confident	48 Å²	48	68.5 Å²	68.5	29%	0.294	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-33.6	-179.9	-56	0	0	0	0	114	M450 K472 L473 F474 R662	M450-T452 PolarHBondContact O-N 2.83Å; T452-K472 HydrophobicContact CG2-CB 4.4Å; T452-K472 HydrophobicContact CG2-CD 4.29Å; T452-L473 WeakPolarHBondContact CB-O 3.46Å; T452-L473 PolarHBondContact N-O 2.82Å; T452-L473 PolarHBondContact OG1-O 2.96Å; T452-F474 HydrophobicContact CG2-CE1 4.13Å; T452-F474 HydrophobicContact CG2-CZ 4.24Å; T452-R662 PolarHBondContact O-NH2 2.82Å
453	N	81.7	Confident	78.8	Confident	57 Å²	57	73.7 Å²	73.7	31%	0.305	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-49.7	-175.6	-170.9	73.9	0	0	0	113.8	C451 F474 C478	C451-N453 PolarHBondContact O-N 2.67Å; N453-F474 HydrophobicContact CB-CD1 3.8Å; N453-F474 HydrophobicContact CB-CE1 3.9Å; N453-C478 HydrophobicContact CB-CB 3.96Å; N453-C478 PolarHBondContact ND2-SG 3.49Å; N453-C478 VanDerWaalsContact ND2-SG 3.36Å
454	C	84.9	Confident	79.1	Confident	51 Å²	51	75 Å²	75	35%	0.345	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	1.3	-171.8	66	0	0	0	0	114.6	C451 T456 C478	C451-C454 PolarHBondContact O-N 3.23Å; C451-C454 PolarHBondContact SG-SG 3.17Å; C454-T456 PolarHBondContact O-N 3.22Å; C454-T456 PolarHBondContact SG-OG1 2.84Å; C454-C478 VanDerWaalsContact SG-SG 3.61Å
455	C	84.1	Confident	80.1	Confident	60 Å²	60	73.6 Å²	73.6	41%	0.405	39%	0.392	S	S	.	.			trans	58.1	7.9	179.9	-42.9	0	0	0	0	115.4	M450 C451 E457 R662	M450-C455 WeakPolarHBondContact CG-O 3.38Å; M450-C455 VanDerWaalsContact SD-O 3.37Å; C451-C455 VanDerWaalsContact O-CA 3.28Å; C451-C455 WeakPolarHBondContact O-CA 3.49Å; C451-C455 PolarHBondContact O-N 3.19Å; C455-E457 PolarHBondContact O-N 2.91Å; C455-R662 PolarHBondContact SG-NH1 2.8Å
456	T	77.1	Confident	80.8	Confident	73 Å²	73	71.8 Å²	71.8	45%	0.448	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-66	129.3	173.1	-44.6	0	0	0	0	110.3	C451 C454	C451-T456 PolarHBondContact N-O 3.02Å; C454-T456 PolarHBondContact O-N 3.22Å; C454-T456 PolarHBondContact SG-OG1 2.84Å
457	E	80.4	Confident	81.7	Confident	126 Å²	126	66.8 Å²	66.8	59%	0.589	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-60.6	142.7	177.9	-171.8	175.7	-155.9	0	0	112.9	T449 M450 C455 N462	T449-E457 CarbonylContact O-C 3.57Å; T449-E457 WeakPolarHBondContact O-CA 3.2Å; M450-E457 HydrophobicContact CG-CB 4.5Å; C455-E457 PolarHBondContact O-N 2.91Å; E457-N462 PolarHBondContact O-ND2 3.35Å
458	F	81.9	Confident	82.8	Confident	14 Å²	14	66.5 Å²	66.5	6%	0.061	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-84	123.1	176.9	-66.7	-60.6	0	0	0	111.6	T449 M450 C451 N462 R464 L473 C475	T449-F458 WeakPolarHBondContact O-CD2 3.43Å; T449-F458 PolarHBondContact O-N 2.91Å; M450-F458 VanDerWaalsContact O-CE2 3.23Å; M450-F458 WeakPolarHBondContact O-CE2 3.44Å; C451-F458 HydrophobicContact CB-CE1 4.29Å; C451-F458 HydrophobicContact CB-CZ 4.18Å; F458-N462 VanDerWaalsContact CA-O 3.32Å; F458-N462 WeakPolarHBondContact CA-O 3.23Å; F458-N462 WeakPolarHBondContact CD1-O 3.5Å; F458-R464 HydrophobicContact CB-CG 3.96Å; F458-R464 HydrophobicContact CD1-CB 4.45Å; F458-R464 HydrophobicContact CD1-CG 3.73Å; F458-R464 HydrophobicContact CD2-CG 3.56Å; F458-R464 HydrophobicContact CE1-CB 4.45Å; F458-R464 HydrophobicContact CE1-CG 4.01Å; F458-R464 HydrophobicContact CE2-CG 3.86Å; F458-R464 HydrophobicContact CG-CG 3.49Å; F458-R464 VanDerWaalsContact CG-CG 3.49Å; F458-R464 HydrophobicContact CZ-CG 4.07Å; F458-L473 HydrophobicContact CE2-CB 4.13Å; F458-L473 HydrophobicContact CZ-CB 4.05Å; F458-C475 HydrophobicContact CE1-CB 4.41Å
459	T	82.5	Confident	83.7	Confident	70 Å²	70	65.4 Å²	65.4	43%	0.429	34%	0.339	S	S	.	.			trans	-120.3	177.1	179	69.5	0	0	0	0	110.8	L461 N462	T459-L461 PolarHBondContact O-N 3.49Å; T459-L461 PolarHBondContact OG1-N 2.96Å; T459-N462 PolarHBondContact N-O 2.94Å; T459-N462 CarbonylContact O-C 3.3Å; T459-N462 VanDerWaalsContact O-C 3.3Å; T459-N462 PolarHBondContact O-N 2.95Å; T459-N462 PolarHBondContact OG1-N 3.32Å
460	T	78.5	Confident	84.1	Confident	119 Å²	119	62.5 Å²	62.5	73%	0.73	32%	0.322	S	S	*	.	S	Bend	trans	-54.5	-32.1	174.2	50.6	0	0	0	0	112.9	R463	T460-R463 WeakPolarHBondContact O-CG 3.44Å; T460-R463 PolarHBondContact O-NE 2.9Å
461	L	82.4	Confident	84.3	Confident	159 Å²	159	58.1 Å²	58.1	83%	0.832	30%	0.3	S	S	*	.	S	Bend	trans	-90.4	-48.2	174.6	-59	178.6	0	0	0	112.2	T459 R463	T459-L461 PolarHBondContact O-N 3.49Å; T459-L461 PolarHBondContact OG1-N 2.96Å; L461-R463 VanDerWaalsContact C-N 3.3Å; L461-R463 PolarHBondContact O-N 2.89Å
462	N	85.9	Confident	84.4	Confident	39 Å²	39	62.4 Å²	62.4	21%	0.209	32%	0.319	C	S	.	.	S	Bend	trans	-81.8	75.1	176.2	-174.7	33.4	0	0	0	110.9	E457 F458 T459 C475	E457-N462 PolarHBondContact O-ND2 3.35Å; F458-N462 VanDerWaalsContact CA-O 3.32Å; F458-N462 WeakPolarHBondContact CA-O 3.23Å; F458-N462 WeakPolarHBondContact CD1-O 3.5Å; T459-N462 PolarHBondContact N-O 2.94Å; T459-N462 CarbonylContact O-C 3.3Å; T459-N462 VanDerWaalsContact O-C 3.3Å; T459-N462 PolarHBondContact O-N 2.95Å; T459-N462 PolarHBondContact OG1-N 3.32Å; N462-C475 WeakPolarHBondContact OD1-CB 3.49Å
463	R	83.6	Confident	84.5	Confident	173 Å²	173	60.1 Å²	60.1	65%	0.653	31%	0.305	S	S	*	.			trans	-70.7	152.9	-171.8	-66.7	-177.1	174.4	-166.4	-4.1	114.2	T460 L461	T460-R463 WeakPolarHBondContact O-CG 3.44Å; T460-R463 PolarHBondContact O-NE 2.9Å; L461-R463 VanDerWaalsContact C-N 3.3Å; L461-R463 PolarHBondContact O-N 2.89Å
464	R	84.9	Confident	84.9	Confident	80 Å²	80	57.6 Å²	57.6	30%	0.302	29%	0.291	S	S	.	.			trans	-71.2	136.2	174.7	-73	172.9	174.2	82.3	-1.3	112.2	D445 S448 F458 L473	D445-R464 WeakPolarHBondContact O-CD 3.36Å; D445-R464 PolarHBondContact O-NE 3.12Å; D445-R464 WeakPolarHBondContact OD1-CB 3.5Å; D445-R464 WeakPolarHBondContact OD1-CD 3.48Å; S448-R464 PolarHBondContact O-NE 2.8Å; S448-R464 PolarHBondContact O-NH2 2.9Å; F458-R464 HydrophobicContact CB-CG 3.96Å; F458-R464 HydrophobicContact CD1-CB 4.45Å; F458-R464 HydrophobicContact CD1-CG 3.73Å; F458-R464 HydrophobicContact CD2-CG 3.56Å; F458-R464 HydrophobicContact CE1-CB 4.45Å; F458-R464 HydrophobicContact CE1-CG 4.01Å; F458-R464 HydrophobicContact CE2-CG 3.86Å; F458-R464 HydrophobicContact CG-CG 3.49Å; F458-R464 VanDerWaalsContact CG-CG 3.49Å; F458-R464 HydrophobicContact CZ-CG 4.07Å; R464-L473 HydrophobicContact CB-CD2 4.06Å
465	H	90.5	Very high	85.2	Confident	53 Å²	53	55.3 Å²	55.3	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	124.2	172.5	-50.6	-52.1	0	0	0	112.9	F474 G476	H465-F474 WeakPolarHBondContact CB-O 3.45Å; H465-F474 PolarHBondContact N-O 2.89Å; H465-F474 PolarHBondContact O-N 3.5Å; H465-G476 VanDerWaalsContact CD2-CA 3.45Å; H465-G476 WeakPolarHBondContact CD2-CA 3.26Å; H465-G476 PolarHBondContact CD2-N 2.86Å
466	H	88.3	Confident	85.5	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.019	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.4	171.7	-54.1	81.3	0	0	0	112.6	R323 W442 V443 D445 R468 G471 K472 L473	R323-H466 PolarHBondContact NH2-ND1 3.1Å; W442-H466 HydrophobicContact CD2-CB 3.92Å; W442-H466 AromaticContact CD2-CD2 3.9Å; W442-H466 AromaticContact CD2-CG 3.85Å; W442-H466 HydrophobicContact CE3-CB 3.65Å; W442-H466 AromaticContact CE3-CD2 3.47Å; W442-H466 VanDerWaalsContact CE3-CD2 3.47Å; W442-H466 AromaticContact CE3-CE1 3.95Å; W442-H466 AromaticContact CE3-CG 3.23Å; W442-H466 AromaticContact CE3-ND1 3.56Å; W442-H466 AromaticContact CE3-NE2 3.9Å; W442-H466 HydrophobicContact CH2-CB 3.93Å; W442-H466 HydrophobicContact CZ2-CB 4.18Å; W442-H466 HydrophobicContact CZ3-CB 3.65Å; W442-H466 AromaticContact CZ3-CG 3.47Å; W442-H466 VanDerWaalsContact CZ3-CG 3.47Å; W442-H466 AromaticContact CZ3-ND1 3.5Å; W442-H466 WeakPolarHBondContact CZ3-ND1 3.32Å; V443-H466 PolarHBondContact O-CD2 2.9Å; V443-H466 PolarHBondContact O-NE2 3.16Å; D445-H466 IonicContact OD1-CE1 2.75Å; D445-H466 PolarHBondContact OD1-CE1 2.93Å; D445-H466 VanDerWaalsContact OD1-CE1 3.24Å; D445-H466 IonicContact OD1-NE2 3.74Å; D445-H466 IonicContact OD2-CE1 3.24Å; D445-H466 PolarHBondContact OD2-CE1 3.37Å; H466-R468 PolarHBondContact O-NH1 3.45Å; H466-G471 PolarHBondContact CD2-O 3.19Å; H466-K472 WeakPolarHBondContact CA-O 3.04Å; H466-L473 WeakPolarHBondContact NE2-CD2 3.34Å
467	C	91	Very high	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.			trans	-70.9	132.1	159.1	176	0	0	0	0	109.5	A469 G471 K472 F474 V495 C496 D499	C467-A469 PolarHBondContact SG-N 2.95Å; C467-A469 VanDerWaalsContact SG-N 3.44Å; C467-G471 VanDerWaalsContact O-CA 3.27Å; C467-G471 WeakPolarHBondContact O-CA 3.44Å; C467-G471 PolarHBondContact O-N 2.74Å; C467-K472 PolarHBondContact N-O 2.74Å; C467-F474 HydrophobicContact CB-CD2 3.98Å; C467-F474 HydrophobicContact CB-CE2 3.6Å; C467-V495 VanDerWaalsContact SG-CA 3.55Å; C467-C496 HydrophobicContact CB-CB 4.21Å; C467-C496 PolarHBondContact SG-N 3.15Å; C467-D499 PolarHBondContact SG-OD2 2.94Å
468	R	89.3	Confident	86.7	Confident	69 Å²	69	48.6 Å²	48.6	26%	0.26	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-31	179.4	-80.9	61.9	166.3	157	2.4	112.9	W442 H466 C470 L485 Q493 R494	W442-R468 HydrophobicContact CZ2-CG 4.18Å; H466-R468 PolarHBondContact O-NH1 3.45Å; R468-C470 PolarHBondContact O-N 2.86Å; R468-L485 HydrophobicContact CB-CD1 3.53Å; R468-Q493 HydrophobicContact CB-CB 3.81Å; R468-Q493 HydrophobicContact CB-CG 4.42Å; R468-Q493 HydrophobicContact CG-CB 3.93Å; R468-Q493 HydrophobicContact CG-CG 4.28Å; R468-R494 WeakPolarHBondContact CD-O 3.49Å; R468-R494 PolarHBondContact N-O 3.37Å
469	A	86.8	Confident	87.2	Confident	5 Å²	5	47.9 Å²	47.9	4%	0.041	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.5	179.5	0	0	0	0	0	114.3	L435 C467 L485 V495 D499 L503	L435-A469 HydrophobicContact CD1-CB 4.31Å; L435-A469 WeakPolarHBondContact CD1-O 3.25Å; L435-A469 HydrophobicContact CG-CB 4.39Å; C467-A469 PolarHBondContact SG-N 2.95Å; C467-A469 VanDerWaalsContact SG-N 3.44Å; A469-L485 HydrophobicContact CB-CD1 4.35Å; A469-L485 HydrophobicContact CB-CD2 3.83Å; A469-V495 HydrophobicContact CB-CG1 3.91Å; A469-D499 HydrophobicContact CB-CB 4.12Å; A469-L503 HydrophobicContact CB-CD1 4.11Å
470	C	85.2	Confident	87.5	Confident	19 Å²	19	47 Å²	47	13%	0.128	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.9	-0.2	-175.7	79.3	0	0	0	0	116.6	L435 R468 K472 D499 R521	L435-C470 HydrophobicContact CD1-CB 4.48Å; R468-C470 PolarHBondContact O-N 2.86Å; C470-K472 PolarHBondContact O-N 2.78Å; C470-D499 PolarHBondContact SG-OD2 3.48Å; C470-R521 PolarHBondContact SG-NH2 3.08Å; C470-R521 VanDerWaalsContact SG-NH2 3.36Å
471	G	83.8	Confident	88.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.			trans	68	-7.8	176.7	0	0	0	0	0	117.3	Q441 V443 H466 C467	Q441-G471 WeakPolarHBondContact O-CA 3.3Å; V443-G471 PolarHBondContact N-O 3.44Å; H466-G471 PolarHBondContact CD2-O 3.19Å; C467-G471 VanDerWaalsContact O-CA 3.27Å; C467-G471 WeakPolarHBondContact O-CA 3.44Å; C467-G471 PolarHBondContact O-N 2.74Å
472	K	86.1	Confident	88.8	Confident	92 Å²	92	42.7 Å²	42.7	40%	0.4	21%	0.211	S	C	.	.			trans	-72.6	158.6	-179.8	-59.7	-177.5	-175.8	-178	0	112.5	V443 T452 H466 C467 C470 F474	V443-K472 HydrophobicContact CG2-CB 4.5Å; V443-K472 HydrophobicContact CG2-CG 4.17Å; T452-K472 HydrophobicContact CG2-CB 4.4Å; T452-K472 HydrophobicContact CG2-CD 4.29Å; H466-K472 WeakPolarHBondContact CA-O 3.04Å; C467-K472 PolarHBondContact N-O 2.74Å; C470-K472 PolarHBondContact O-N 2.78Å; K472-F474 HydrophobicContact CB-CE2 3.76Å; K472-F474 HydrophobicContact CB-CZ 4.01Å; K472-F474 WeakPolarHBondContact O-CD2 3.41Å; K472-F474 WeakPolarHBondContact O-CE2 3.48Å
473	L	85.3	Confident	88.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.2	-171.9	-78.5	170.4	0	0	0	113.8	V443 K444 D445 T452 F458 R464 H466	V443-L473 HydrophobicContact CB-CD1 4.41Å; V443-L473 HydrophobicContact CB-CG 4.36Å; V443-L473 HydrophobicContact CG1-CD1 3.92Å; V443-L473 HydrophobicContact CG1-CG 4.32Å; K444-L473 WeakPolarHBondContact O-CD1 3.29Å; D445-L473 WeakPolarHBondContact OD1-CD2 3.47Å; T452-L473 WeakPolarHBondContact CB-O 3.46Å; T452-L473 PolarHBondContact N-O 2.82Å; T452-L473 PolarHBondContact OG1-O 2.96Å; F458-L473 HydrophobicContact CE2-CB 4.13Å; F458-L473 HydrophobicContact CZ-CB 4.05Å; R464-L473 HydrophobicContact CB-CD2 4.06Å; H466-L473 WeakPolarHBondContact NE2-CD2 3.34Å
474	F	91	Very high	89.2	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.7	-176.5	-57.4	-89.2	0	0	0	111.7	T452 N453 H465 C467 K472 C478 C496	T452-F474 HydrophobicContact CG2-CE1 4.13Å; T452-F474 HydrophobicContact CG2-CZ 4.24Å; N453-F474 HydrophobicContact CB-CD1 3.8Å; N453-F474 HydrophobicContact CB-CE1 3.9Å; H465-F474 WeakPolarHBondContact CB-O 3.45Å; H465-F474 PolarHBondContact N-O 2.89Å; H465-F474 PolarHBondContact O-N 3.5Å; C467-F474 HydrophobicContact CB-CD2 3.98Å; C467-F474 HydrophobicContact CB-CE2 3.6Å; K472-F474 HydrophobicContact CB-CE2 3.76Å; K472-F474 HydrophobicContact CB-CZ 4.01Å; K472-F474 WeakPolarHBondContact O-CD2 3.41Å; K472-F474 WeakPolarHBondContact O-CE2 3.48Å; F474-C478 HydrophobicContact CB-CB 4.23Å; F474-C478 HydrophobicContact CD1-CB 4.19Å; F474-C496 HydrophobicContact CD1-CB 3.86Å; F474-C496 HydrophobicContact CD2-CB 3.79Å; F474-C496 HydrophobicContact CE1-CB 3.56Å; F474-C496 HydrophobicContact CE2-CB 3.51Å; F474-C496 HydrophobicContact CG-CB 3.97Å; F474-C496 HydrophobicContact CZ-CB 3.39Å; F474-C496 VanDerWaalsContact CZ-SG 3.55Å
475	C	90.3	Very high	89.2	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.02	17%	0.172	C	C	.	.			trans	-73.6	169.2	167	63.3	0	0	0	0	111.8	C451 F458 N462 S477 C478 S479	C451-C475 HydrophobicContact CB-CB 4.18Å; C451-C475 PolarHBondContact SG-N 3.08Å; F458-C475 HydrophobicContact CE1-CB 4.41Å; N462-C475 WeakPolarHBondContact OD1-CB 3.49Å; C475-S477 VanDerWaalsContact C-N 3.28Å; C475-S477 PolarHBondContact O-N 2.92Å; C475-S477 PolarHBondContact SG-OG 2.81Å; C475-C478 PolarHBondContact O-N 3.18Å; C475-C478 VanDerWaalsContact SG-SG 3.6Å; C475-S479 PolarHBondContact O-N 3.11Å; C475-S479 VanDerWaalsContact O-N 3.13Å; C475-S479 PolarHBondContact O-OG 3.49Å
476	G	90.3	Very high	88.8	Confident	30 Å²	30	34.1 Å²	34.1	31%	0.309	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.7	-177.1	0	0	0	0	0	114.6	H465 A480	H465-G476 VanDerWaalsContact CD2-CA 3.45Å; H465-G476 WeakPolarHBondContact CD2-CA 3.26Å; H465-G476 PolarHBondContact CD2-N 2.86Å; G476-A480 PolarHBondContact O-N 3.1Å
477	S	91.3	Very high	88.3	Confident	76 Å²	76	34.5 Å²	34.5	53%	0.531	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-36.1	-179.2	59.9	0	0	0	0	113.5	C475	C475-S477 VanDerWaalsContact C-N 3.28Å; C475-S477 PolarHBondContact O-N 2.92Å; C475-S477 PolarHBondContact SG-OG 2.81Å
478	C	91.1	Very high	87.7	Confident	12 Å²	12	36.7 Å²	36.7	8%	0.081	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.1	178.9	-66.8	0	0	0	0	113.6	N453 C454 F474 C475 C496 V497	N453-C478 HydrophobicContact CB-CB 3.96Å; N453-C478 PolarHBondContact ND2-SG 3.49Å; N453-C478 VanDerWaalsContact ND2-SG 3.36Å; C454-C478 VanDerWaalsContact SG-SG 3.61Å; F474-C478 HydrophobicContact CB-CB 4.23Å; F474-C478 HydrophobicContact CD1-CB 4.19Å; C475-C478 PolarHBondContact O-N 3.18Å; C475-C478 VanDerWaalsContact SG-SG 3.6Å; C478-C496 WeakPolarHBondContact O-CA 3.34Å; C478-V497 PolarHBondContact O-N 3.4Å
479	S	92.4	Very high	87	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	27.1	176.4	62.5	0	0	0	0	113.3	C475 Y481 R494 V495	C475-S479 PolarHBondContact O-N 3.11Å; C475-S479 VanDerWaalsContact O-N 3.13Å; C475-S479 PolarHBondContact O-OG 3.49Å; S479-Y481 PolarHBondContact O-N 2.93Å; S479-R494 WeakPolarHBondContact O-CD 3.34Å; S479-R494 WeakPolarHBondContact O-CG 3.43Å; S479-R494 PolarHBondContact O-NH1 2.85Å; S479-R494 PolarHBondContact OG-NH1 3.33Å; S479-V495 CarbonylContact C-O 3.58Å; S479-V495 WeakPolarHBondContact CA-O 3.43Å
480	A	90.4	Very high	86.6	Confident	50 Å²	50	38.2 Å²	38.2	41%	0.413	24%	0.241	S	C	.	.			trans	-72.9	-6.8	-176.8	0	0	0	0	0	114.6	G476	G476-A480 PolarHBondContact O-N 3.1Å
481	Y	92.5	Very high	86.5	Confident	50 Å²	50	44.2 Å²	44.2	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	158.1	-170.2	-66.3	-98.3	0	0	0	111.9	S479 R494 V495 V497 Y500	S479-Y481 PolarHBondContact O-N 2.93Å; Y481-R494 WeakPolarHBondContact O-CA 3.46Å; Y481-V495 PolarHBondContact O-N 3.29Å; Y481-V497 HydrophobicContact CD2-CB 3.98Å; Y481-V497 HydrophobicContact CD2-CG2 4.29Å; Y481-V497 HydrophobicContact CE2-CB 3.68Å; Y481-V497 HydrophobicContact CE2-CG2 3.6Å; Y481-Y500 AromaticContact CD1-CD1 3.66Å; Y481-Y500 HydrophobicContact CD1-CD1 3.66Å; Y481-Y500 AromaticContact CD1-CD2 3.84Å; Y481-Y500 HydrophobicContact CD1-CD2 3.84Å; Y481-Y500 HydrophobicContact CD1-CE1 4.04Å; Y481-Y500 HydrophobicContact CD1-CE2 4.18Å; Y481-Y500 AromaticContact CD1-CG 3.55Å; Y481-Y500 HydrophobicContact CD1-CG 3.55Å; Y481-Y500 HydrophobicContact CE1-CD1 4.08Å; Y481-Y500 HydrophobicContact CE1-CE1 4.34Å; Y481-Y500 HydrophobicContact CE1-CG 4.4Å; Y481-Y500 HydrophobicContact CG-CD1 4.48Å; Y481-Y500 HydrophobicContact CG-CD2 4.24Å; Y481-Y500 AromaticContact CG-CG 3.99Å; Y481-Y500 HydrophobicContact CG-CG 3.99Å
482	K	94	Very high	86.8	Confident	138 Å²	138	52 Å²	52	60%	0.6	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.3	169	-66.1	-176.5	-176	177	0	110.6	Y492 Q493 Y500	K482-Y492 HydrophobicContact CB-CD1 4.3Å; K482-Q493 WeakPolarHBondContact CA-O 3.47Å; K482-Y500 WeakPolarHBondContact O-CD2 3.29Å; K482-Y500 VanDerWaalsContact O-CE2 3.25Å; K482-Y500 WeakPolarHBondContact O-CE2 3.31Å
483	A	89.6	Confident	87.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.9	172.3	0	0	0	0	0	109.7	Y492 Q493 V495 Y500 L503	A483-Y492 CarbonylContact O-C 3.57Å; A483-Y492 WeakPolarHBondContact O-CA 3.06Å; A483-Q493 PolarHBondContact N-O 2.79Å; A483-Q493 PolarHBondContact O-N 3.06Å; A483-V495 HydrophobicContact CB-CG1 4.26Å; A483-V495 HydrophobicContact CB-CG2 3.92Å; A483-Y500 HydrophobicContact CB-CD2 4.42Å; A483-L503 HydrophobicContact CB-CB 4.4Å; A483-L503 HydrophobicContact CB-CD1 3.61Å
484	P	89.9	Confident	87.5	Confident	52 Å²	52	54.4 Å²	54.4	34%	0.338	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.5	169.3	30.6	-34.8	0	0	0	109.9	G490	P484-G490 WeakPolarHBondContact CB-O 3.46Å
485	L	84.6	Confident	87.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	30%	0.304	C	S	.	.			trans	-132.7	130.1	174.1	-54.3	176	0	0	0	109.1	R468 A469 S487 C488 G490 K491 Q493 V495 L503	R468-L485 HydrophobicContact CB-CD1 3.53Å; A469-L485 HydrophobicContact CB-CD1 4.35Å; A469-L485 HydrophobicContact CB-CD2 3.83Å; L485-S487 VanDerWaalsContact C-N 3.33Å; L485-S487 PolarHBondContact O-N 2.92Å; L485-C488 HydrophobicContact CB-CB 4.33Å; L485-C488 CarbonylContact O-C 3.37Å; L485-C488 PolarHBondContact O-N 2.86Å; L485-G490 WeakPolarHBondContact O-CA 3.12Å; L485-G490 PolarHBondContact O-N 2.91Å; L485-K491 PolarHBondContact N-O 3.03Å; L485-Q493 HydrophobicContact CD1-CB 3.7Å; L485-Q493 HydrophobicContact CD1-CG 4.21Å; L485-Q493 HydrophobicContact CG-CB 4.22Å; L485-V495 HydrophobicContact CD2-CG1 4.35Å; L485-L503 HydrophobicContact CD2-CD1 3.61Å; L485-L503 HydrophobicContact CD2-CD2 4.01Å
486	E	80.8	Confident	87.8	Confident	111 Å²	111	54.1 Å²	54.1	52%	0.519	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.2	-38.4	177.8	-55.1	-165.6	171	0	0	111.8	K386 G436 C488 G489	K386-E486 WeakPolarHBondContact CE-OE2 3.23Å; K386-E486 IonicContact NZ-OE2 2.71Å; K386-E486 PolarHBondContact NZ-OE2 3.1Å; G436-E486 PolarHBondContact O-N 3.21Å; E486-C488 PolarHBondContact O-N 2.92Å; E486-G489 PolarHBondContact O-N 3.47Å
487	S	78.2	Confident	87.7	Confident	12 Å²	12	53.2 Å²	53.2	8%	0.084	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-56.5	-2.4	169.1	56.6	0	0	0	0	115.1	K386 G436 E437 L485	K386-S487 WeakPolarHBondContact O-CB 3.45Å; G436-S487 PolarHBondContact O-N 2.82Å; G436-S487 PolarHBondContact O-OG 2.83Å; E437-S487 WeakPolarHBondContact O-CB 3.41Å; E437-S487 PolarHBondContact O-N 3.01Å; L485-S487 VanDerWaalsContact C-N 3.33Å; L485-S487 PolarHBondContact O-N 2.92Å
488	C	78.4	Confident	87.6	Confident	46 Å²	46	49.9 Å²	49.9	31%	0.311	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-129.7	21.6	173	-71	0	0	0	0	112.5	L485 E486 K491 Q493	L485-C488 HydrophobicContact CB-CB 4.33Å; L485-C488 CarbonylContact O-C 3.37Å; L485-C488 PolarHBondContact O-N 2.86Å; E486-C488 PolarHBondContact O-N 2.92Å; C488-K491 WeakPolarHBondContact O-CB 3.23Å; C488-K491 WeakPolarHBondContact O-CG 3.43Å; C488-K491 PolarHBondContact O-N 3.19Å; C488-Q493 HydrophobicContact CB-CG 3.86Å
489	G	74.1	Confident	87.6	Confident	65 Å²	65	49.3 Å²	49.3	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	41.6	-178.2	0	0	0	0	0	113.2	E486 K491	E486-G489 PolarHBondContact O-N 3.47Å; G489-K491 PolarHBondContact O-N 2.92Å; G489-K491 VanDerWaalsContact O-N 3.12Å
490	G	79	Confident	87.6	Confident	41 Å²	41	51.6 Å²	51.6	42%	0.423	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	-2.2	-178.9	0	0	0	0	0	115.1	P484 L485	P484-G490 WeakPolarHBondContact CB-O 3.46Å; L485-G490 WeakPolarHBondContact O-CA 3.12Å; L485-G490 PolarHBondContact O-N 2.91Å
491	K	83.8	Confident	87.5	Confident	145 Å²	145	50.5 Å²	50.5	63%	0.63	26%	0.258	S	S	*	.			trans	-69.9	141.1	-173.6	-64.8	176.4	-177.2	177.6	0	111.8	L485 C488 G489 Q493	L485-K491 PolarHBondContact N-O 3.03Å; C488-K491 WeakPolarHBondContact O-CB 3.23Å; C488-K491 WeakPolarHBondContact O-CG 3.43Å; C488-K491 PolarHBondContact O-N 3.19Å; G489-K491 PolarHBondContact O-N 2.92Å; G489-K491 VanDerWaalsContact O-N 3.12Å; K491-Q493 PolarHBondContact O-N 2.96Å; K491-Q493 VanDerWaalsContact O-N 3.13Å
492	Y	90.7	Very high	87.2	Confident	164 Å²	164	50 Å²	50	64%	0.643	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	107.5	178.3	-82.5	-97.5	0	0	0	112.2	K482 A483	K482-Y492 HydrophobicContact CB-CD1 4.3Å; A483-Y492 CarbonylContact O-C 3.57Å; A483-Y492 WeakPolarHBondContact O-CA 3.06Å
493	Q	91.7	Very high	86.8	Confident	57 Å²	57	45.6 Å²	45.6	27%	0.266	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	155.7	-176.7	-73	-62.9	-18.1	0	0	112.8	R468 K482 A483 L485 C488 K491 V495	R468-Q493 HydrophobicContact CB-CB 3.81Å; R468-Q493 HydrophobicContact CB-CG 4.42Å; R468-Q493 HydrophobicContact CG-CB 3.93Å; R468-Q493 HydrophobicContact CG-CG 4.28Å; K482-Q493 WeakPolarHBondContact CA-O 3.47Å; A483-Q493 PolarHBondContact N-O 2.79Å; A483-Q493 PolarHBondContact O-N 3.06Å; L485-Q493 HydrophobicContact CD1-CB 3.7Å; L485-Q493 HydrophobicContact CD1-CG 4.21Å; L485-Q493 HydrophobicContact CG-CB 4.22Å; C488-Q493 HydrophobicContact CB-CG 3.86Å; K491-Q493 PolarHBondContact O-N 2.96Å; K491-Q493 VanDerWaalsContact O-N 3.13Å; Q493-V495 PolarHBondContact O-N 3.04Å
494	R	94.3	Very high	86.6	Confident	85 Å²	85	47.5 Å²	47.5	32%	0.321	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	124.5	178.2	-175.7	-173.9	-75.3	-99.3	8.6	111	R468 S479 Y481	R468-R494 WeakPolarHBondContact CD-O 3.49Å; R468-R494 PolarHBondContact N-O 3.37Å; S479-R494 WeakPolarHBondContact O-CD 3.34Å; S479-R494 WeakPolarHBondContact O-CG 3.43Å; S479-R494 PolarHBondContact O-NH1 2.85Å; S479-R494 PolarHBondContact OG-NH1 3.33Å; Y481-R494 WeakPolarHBondContact O-CA 3.46Å
495	V	93.3	Very high	85.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.4	176.7	-66.4	0	0	0	0	111.7	C467 A469 S479 Y481 A483 L485 Q493 D499 Y500 L503	C467-V495 VanDerWaalsContact SG-CA 3.55Å; A469-V495 HydrophobicContact CB-CG1 3.91Å; S479-V495 CarbonylContact C-O 3.58Å; S479-V495 WeakPolarHBondContact CA-O 3.43Å; Y481-V495 PolarHBondContact O-N 3.29Å; A483-V495 HydrophobicContact CB-CG1 4.26Å; A483-V495 HydrophobicContact CB-CG2 3.92Å; L485-V495 HydrophobicContact CD2-CG1 4.35Å; Q493-V495 PolarHBondContact O-N 3.04Å; V495-D499 HydrophobicContact CB-CB 4.32Å; V495-Y500 HydrophobicContact CG2-CD2 4.16Å; V495-L503 HydrophobicContact CG1-CD1 3.96Å
496	C	92.7	Very high	85.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.			trans	-75.7	162.1	170.2	88.2	0	0	0	0	110.8	C467 F474 C478 V498 D499 Y500	C467-C496 HydrophobicContact CB-CB 4.21Å; C467-C496 PolarHBondContact SG-N 3.15Å; F474-C496 HydrophobicContact CD1-CB 3.86Å; F474-C496 HydrophobicContact CD2-CB 3.79Å; F474-C496 HydrophobicContact CE1-CB 3.56Å; F474-C496 HydrophobicContact CE2-CB 3.51Å; F474-C496 HydrophobicContact CG-CB 3.97Å; F474-C496 HydrophobicContact CZ-CB 3.39Å; F474-C496 VanDerWaalsContact CZ-SG 3.55Å; C478-C496 WeakPolarHBondContact O-CA 3.34Å; C496-V498 PolarHBondContact O-N 3.39Å; C496-V498 PolarHBondContact SG-N 3.07Å; C496-D499 PolarHBondContact O-N 3.49Å; C496-D499 PolarHBondContact SG-N 2.56Å; C496-D499 VanDerWaalsContact SG-N 3.44Å; C496-D499 PolarHBondContact SG-OD2 3.43Å; C496-Y500 PolarHBondContact O-N 2.91Å
497	V	90.2	Very high	85.7	Confident	11 Å²	11	59.2 Å²	59.2	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-35	179.5	64.7	0	0	0	0	113.1	C478 Y481 Y501 I514	C478-V497 PolarHBondContact O-N 3.4Å; Y481-V497 HydrophobicContact CD2-CB 3.98Å; Y481-V497 HydrophobicContact CD2-CG2 4.29Å; Y481-V497 HydrophobicContact CE2-CB 3.68Å; Y481-V497 HydrophobicContact CE2-CG2 3.6Å; V497-Y501 HydrophobicContact CG2-CD2 4.43Å; V497-Y501 HydrophobicContact CG2-CE2 4.01Å; V497-Y501 WeakPolarHBondContact O-CD2 3.49Å; V497-I514 HydrophobicContact CG2-CD1 3.78Å; V497-I514 HydrophobicContact CG2-CG1 4.12Å; V497-I514 HydrophobicContact CG2-CG2 4.04Å
498	V	88.9	Confident	85.6	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-72.3	-50	-179.8	-177.4	0	0	0	0	111	C496 Y500 Y501 L502 A517 I518 R521	C496-V498 PolarHBondContact O-N 3.39Å; C496-V498 PolarHBondContact SG-N 3.07Å; V498-Y500 VanDerWaalsContact C-N 3.26Å; V498-Y500 PolarHBondContact O-N 3.35Å; V498-Y501 PolarHBondContact O-N 2.81Å; V498-L502 HydrophobicContact CG1-CD1 4.12Å; V498-L502 PolarHBondContact O-N 3.4Å; V498-L502 VanDerWaalsContact O-N 3.13Å; V498-A517 WeakPolarHBondContact CG1-O 3.37Å; V498-A517 HydrophobicContact CG2-CB 3.73Å; V498-I518 HydrophobicContact CG1-CB 4.45Å; V498-I518 HydrophobicContact CG1-CG1 3.74Å; V498-R521 VanDerWaalsContact CG1-CD 3.47Å
499	D	90.2	Very high	85.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.8	-31.3	-179.8	-61.6	-47.9	0	0	0	111.9	L435 C467 A469 C470 V495 C496 Y501 L502 L503 R521	L435-D499 HydrophobicContact CD2-CB 4.29Å; C467-D499 PolarHBondContact SG-OD2 2.94Å; A469-D499 HydrophobicContact CB-CB 4.12Å; C470-D499 PolarHBondContact SG-OD2 3.48Å; V495-D499 HydrophobicContact CB-CB 4.32Å; C496-D499 PolarHBondContact O-N 3.49Å; C496-D499 PolarHBondContact SG-N 2.56Å; C496-D499 VanDerWaalsContact SG-N 3.44Å; C496-D499 PolarHBondContact SG-OD2 3.43Å; D499-Y501 VanDerWaalsContact C-N 3.34Å; D499-Y501 PolarHBondContact O-N 2.87Å; D499-L502 PolarHBondContact O-N 3.1Å; D499-L503 WeakPolarHBondContact O-CB 3.45Å; D499-L503 WeakPolarHBondContact O-CD1 3.19Å; D499-L503 WeakPolarHBondContact O-CG 3.5Å; D499-L503 PolarHBondContact O-N 3.46Å; D499-R521 IonicContact OD1-CZ 2.84Å; D499-R521 IonicContact OD1-NE 2.85Å; D499-R521 PolarHBondContact OD1-NE 2.67Å; D499-R521 IonicContact OD1-NH1 3.18Å; D499-R521 IonicContact OD1-NH2 3.24Å; D499-R521 PolarHBondContact OD1-NH2 2.88Å; D499-R521 IonicContact OD2-CZ 3.43Å; D499-R521 IonicContact OD2-NH2 3.1Å; D499-R521 PolarHBondContact OD2-NH2 2.9Å
500	Y	92.1	Very high	85.6	Confident	48 Å²	48	67.2 Å²	67.2	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-44.7	174.4	179.2	-96.7	0	0	0	112.7	Y481 K482 A483 V495 C496 V498 N504 F507	Y481-Y500 AromaticContact CD1-CD1 3.66Å; Y481-Y500 HydrophobicContact CD1-CD1 3.66Å; Y481-Y500 AromaticContact CD1-CD2 3.84Å; Y481-Y500 HydrophobicContact CD1-CD2 3.84Å; Y481-Y500 HydrophobicContact CD1-CE1 4.04Å; Y481-Y500 HydrophobicContact CD1-CE2 4.18Å; Y481-Y500 AromaticContact CD1-CG 3.55Å; Y481-Y500 HydrophobicContact CD1-CG 3.55Å; Y481-Y500 HydrophobicContact CE1-CD1 4.08Å; Y481-Y500 HydrophobicContact CE1-CE1 4.34Å; Y481-Y500 HydrophobicContact CE1-CG 4.4Å; Y481-Y500 HydrophobicContact CG-CD1 4.48Å; Y481-Y500 HydrophobicContact CG-CD2 4.24Å; Y481-Y500 AromaticContact CG-CG 3.99Å; Y481-Y500 HydrophobicContact CG-CG 3.99Å; K482-Y500 WeakPolarHBondContact O-CD2 3.29Å; K482-Y500 VanDerWaalsContact O-CE2 3.25Å; K482-Y500 WeakPolarHBondContact O-CE2 3.31Å; A483-Y500 HydrophobicContact CB-CD2 4.42Å; V495-Y500 HydrophobicContact CG2-CD2 4.16Å; C496-Y500 PolarHBondContact O-N 2.91Å; V498-Y500 VanDerWaalsContact C-N 3.26Å; V498-Y500 PolarHBondContact O-N 3.35Å; Y500-N504 WeakPolarHBondContact O-CB 3.45Å; Y500-N504 PolarHBondContact O-N 2.95Å; Y500-N504 PolarHBondContact O-ND2 3.09Å; Y500-F507 AromaticContact CE1-CD2 3.91Å; Y500-F507 HydrophobicContact CE1-CD2 3.91Å; Y500-F507 HydrophobicContact CE1-CE2 4.47Å; Y500-F507 AromaticContact CZ-CD2 4Å; Y500-F507 WeakPolarHBondContact OH-CE2 3.42Å
501	Y	89.2	Confident	85.6	Confident	27 Å²	27	71.1 Å²	71.1	11%	0.106	33%	0.327	C	S	.	.	H	α-helix	trans	-81.1	-25.8	179.3	-68.4	-68.6	0	0	0	113.1	V497 V498 D499 N504 F507 P509 P510 I514 I518	V497-Y501 HydrophobicContact CG2-CD2 4.43Å; V497-Y501 HydrophobicContact CG2-CE2 4.01Å; V497-Y501 WeakPolarHBondContact O-CD2 3.49Å; V498-Y501 PolarHBondContact O-N 2.81Å; D499-Y501 VanDerWaalsContact C-N 3.34Å; D499-Y501 PolarHBondContact O-N 2.87Å; Y501-N504 CarbonylContact O-C 3.53Å; Y501-F507 HydrophobicContact CD1-CB 3.85Å; Y501-F507 WeakPolarHBondContact CD1-O 3.36Å; Y501-F507 HydrophobicContact CE1-CB 3.89Å; Y501-P509 HydrophobicContact CD1-CG 4.34Å; Y501-P509 HydrophobicContact CD2-CB 4.37Å; Y501-P509 HydrophobicContact CD2-CG 4.45Å; Y501-P509 HydrophobicContact CG-CB 4.43Å; Y501-P509 HydrophobicContact CG-CG 4.08Å; Y501-P510 VanDerWaalsContact CZ-CD 3.46Å; Y501-P510 WeakPolarHBondContact OH-CD 3.41Å; Y501-I514 HydrophobicContact CD2-CG2 3.75Å; Y501-I514 HydrophobicContact CE2-CD1 4.48Å; Y501-I514 HydrophobicContact CE2-CG2 4.05Å; Y501-I518 HydrophobicContact CG-CD1 4.45Å
502	L	86.1	Confident	85.2	Confident	39 Å²	39	69.7 Å²	69.7	20%	0.204	33%	0.333	C	S	.	.	H	α-helix	trans	-68.8	-39	171	-75.6	171.7	0	0	0	112.5	L435 V498 D499 K505 I518 R521 V522	L435-L502 HydrophobicContact CD2-CB 3.49Å; L435-L502 VanDerWaalsContact CD2-CB 3.49Å; L435-L502 HydrophobicContact CD2-CD1 3.86Å; L435-L502 HydrophobicContact CD2-CG 4.32Å; V498-L502 HydrophobicContact CG1-CD1 4.12Å; V498-L502 PolarHBondContact O-N 3.4Å; V498-L502 VanDerWaalsContact O-N 3.13Å; D499-L502 PolarHBondContact O-N 3.1Å; L502-K505 VanDerWaalsContact O-CG 3.25Å; L502-K505 WeakPolarHBondContact O-CG 3.45Å; L502-I518 HydrophobicContact CD2-CG2 3.87Å; L502-I518 HydrophobicContact CG-CG2 4.38Å; L502-R521 HydrophobicContact CD1-CG 4.44Å; L502-V522 HydrophobicContact CD2-CG2 4Å
503	L	85.4	Confident	84.4	Confident	46 Å²	46	70 Å²	70	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-70.4	-48.2	173.9	-70.2	163.1	0	0	0	111.1	L435 A469 A483 L485 V495 D499 K505	L435-L503 HydrophobicContact CD2-CG 4.34Å; L435-L503 HydrophobicContact CG-CD2 4.47Å; L435-L503 WeakPolarHBondContact O-CD2 3.26Å; A469-L503 HydrophobicContact CB-CD1 4.11Å; A483-L503 HydrophobicContact CB-CB 4.4Å; A483-L503 HydrophobicContact CB-CD1 3.61Å; L485-L503 HydrophobicContact CD2-CD1 3.61Å; L485-L503 HydrophobicContact CD2-CD2 4.01Å; V495-L503 HydrophobicContact CG1-CD1 3.96Å; D499-L503 WeakPolarHBondContact O-CB 3.45Å; D499-L503 WeakPolarHBondContact O-CD1 3.19Å; D499-L503 WeakPolarHBondContact O-CG 3.5Å; D499-L503 PolarHBondContact O-N 3.46Å; L503-K505 PolarHBondContact O-N 2.69Å
504	N	85.2	Confident	83.7	Confident	42 Å²	42	68.3 Å²	68.3	23%	0.225	33%	0.33	C	S	.	.	S	Bend	trans	-96.1	66.5	-179.5	-58.5	-89.3	0	0	0	110.6	Y500 Y501 N506 F507	Y500-N504 WeakPolarHBondContact O-CB 3.45Å; Y500-N504 PolarHBondContact O-N 2.95Å; Y500-N504 PolarHBondContact O-ND2 3.09Å; Y501-N504 CarbonylContact O-C 3.53Å; N504-N506 PolarHBondContact O-N 3.15Å; N504-F507 HydrophobicContact CB-CD2 3.36Å; N504-F507 HydrophobicContact CB-CE2 3.76Å; N504-F507 HydrophobicContact CB-CG 4.21Å; N504-F507 PolarHBondContact O-N 3.15Å
505	K	75.5	Confident	82.9	Confident	153 Å²	153	68.3 Å²	68.3	67%	0.665	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.8	-175.9	-61.2	179.4	-178.5	174.1	0	114.1	L502 L503 F507	L502-K505 VanDerWaalsContact O-CG 3.25Å; L502-K505 WeakPolarHBondContact O-CG 3.45Å; L503-K505 PolarHBondContact O-N 2.69Å; K505-F507 VanDerWaalsContact C-N 3.32Å; K505-F507 PolarHBondContact O-N 3.13Å
506	N	78.8	Confident	82	Confident	157 Å²	157	72.4 Å²	72.4	84%	0.84	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.5	178	-60.5	-3.9	0	0	0	113.8	N504	N504-N506 PolarHBondContact O-N 3.15Å
507	F	81.8	Confident	81.2	Confident	101 Å²	101	73.5 Å²	73.5	44%	0.443	36%	0.363	S	S	.	.	S	Bend	trans	-94	122.9	-179.3	-62.5	-35.3	0	0	0	111.9	Y500 Y501 N504 K505	Y500-F507 AromaticContact CE1-CD2 3.91Å; Y500-F507 HydrophobicContact CE1-CD2 3.91Å; Y500-F507 HydrophobicContact CE1-CE2 4.47Å; Y500-F507 AromaticContact CZ-CD2 4Å; Y500-F507 WeakPolarHBondContact OH-CE2 3.42Å; Y501-F507 HydrophobicContact CD1-CB 3.85Å; Y501-F507 WeakPolarHBondContact CD1-O 3.36Å; Y501-F507 HydrophobicContact CE1-CB 3.89Å; N504-F507 HydrophobicContact CB-CD2 3.36Å; N504-F507 HydrophobicContact CB-CE2 3.76Å; N504-F507 HydrophobicContact CB-CG 4.21Å; N504-F507 PolarHBondContact O-N 3.15Å; K505-F507 VanDerWaalsContact C-N 3.32Å; K505-F507 PolarHBondContact O-N 3.13Å
508	K	76.2	Confident	80.5	Confident	193 Å²	193	73.9 Å²	73.9	84%	0.839	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-73.3	129.5	175.4	-68.1	-179.1	178.4	177.9	0	111
509	P	78.4	Confident	79.7	Confident	26 Å²	26	78 Å²	78	17%	0.169	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-61.4	127.4	176.1	-24.7	33.8	0	0	0	112.6	Y501 K511 I514 M515 I518	Y501-P509 HydrophobicContact CD1-CG 4.34Å; Y501-P509 HydrophobicContact CD2-CB 4.37Å; Y501-P509 HydrophobicContact CD2-CG 4.45Å; Y501-P509 HydrophobicContact CG-CB 4.43Å; Y501-P509 HydrophobicContact CG-CG 4.08Å; P509-K511 VanDerWaalsContact C-N 3.29Å; P509-K511 PolarHBondContact O-N 3.06Å; P509-I514 HydrophobicContact CB-CB 4.12Å; P509-I514 HydrophobicContact CB-CG2 3.94Å; P509-M515 HydrophobicContact CG-CE 3.9Å; P509-M515 HydrophobicContact CG-SD 4.2Å; P509-I518 HydrophobicContact CB-CD1 4.18Å; P509-I518 HydrophobicContact CG-CD1 3.41Å; P509-I518 VanDerWaalsContact CG-CD1 3.41Å
510	P	74.9	Confident	78.7	Confident	72 Å²	72	85.4 Å²	85.4	47%	0.468	41%	0.414	S	S	.	.	S	Bend	trans	-82.2	2.7	-169.6	32.3	-38.2	0	0	0	114.9	Y501 I514	Y501-P510 VanDerWaalsContact CZ-CD 3.46Å; Y501-P510 WeakPolarHBondContact OH-CD 3.41Å; P510-I514 HydrophobicContact CG-CD1 4.21Å
511	K	79.2	Confident	77.5	Confident	122 Å²	122	85.2 Å²	85.2	53%	0.53	41%	0.413	S	S	.	.	S	Bend	trans	-145.6	136.8	-179.5	-62.9	-172.9	178.1	-175.4	0	110.4	P509 K513 I514 M515	P509-K511 VanDerWaalsContact C-N 3.29Å; P509-K511 PolarHBondContact O-N 3.06Å; K511-K513 VanDerWaalsContact C-N 3.28Å; K511-K513 PolarHBondContact O-N 3.19Å; K511-I514 HydrophobicContact CB-CD1 3.99Å; K511-I514 HydrophobicContact CB-CG1 4.17Å; K511-I514 HydrophobicContact CG-CD1 4.4Å; K511-I514 WeakPolarHBondContact O-CB 3.4Å; K511-I514 PolarHBondContact O-N 3.33Å; K511-M515 PolarHBondContact O-N 2.81Å
512	P	74.4	Confident	76.3	Confident	115 Å²	115	86 Å²	86	75%	0.747	42%	0.421	S	S	*	.	H	α-helix	trans	-53	-41.3	178.7	-29.9	36.2	0	0	0	113.8	I514 M515 E516	P512-I514 PolarHBondContact O-N 3.16Å; P512-I514 VanDerWaalsContact O-N 3.1Å; P512-M515 WeakPolarHBondContact O-CB 3.43Å; P512-M515 PolarHBondContact O-N 3.41Å; P512-E516 WeakPolarHBondContact O-CB 3.3Å; P512-E516 PolarHBondContact O-N 3.49Å
513	K	73.7	Confident	74.7	Confident	171 Å²	171	88.1 Å²	88.1	74%	0.743	43%	0.432	S	S	*	.	H	α-helix	trans	-59.3	-22.3	176.4	-63.5	-167.2	175.7	-167.9	0	114.5	K511 A517	K511-K513 VanDerWaalsContact C-N 3.28Å; K511-K513 PolarHBondContact O-N 3.19Å; K513-A517 WeakPolarHBondContact O-CB 3.25Å; K513-A517 PolarHBondContact O-N 3.21Å
514	I	78.1	Confident	72.9	Confident	21 Å²	21	94 Å²	94	11%	0.108	46%	0.456	C	S	.	.	H	α-helix	trans	-82.8	-43.2	174	-56.7	168.2	0	0	0	109.6	V497 Y501 P509 P510 K511 P512 E516 A517 I518	V497-I514 HydrophobicContact CG2-CD1 3.78Å; V497-I514 HydrophobicContact CG2-CG1 4.12Å; V497-I514 HydrophobicContact CG2-CG2 4.04Å; Y501-I514 HydrophobicContact CD2-CG2 3.75Å; Y501-I514 HydrophobicContact CE2-CD1 4.48Å; Y501-I514 HydrophobicContact CE2-CG2 4.05Å; P509-I514 HydrophobicContact CB-CB 4.12Å; P509-I514 HydrophobicContact CB-CG2 3.94Å; P510-I514 HydrophobicContact CG-CD1 4.21Å; K511-I514 HydrophobicContact CB-CD1 3.99Å; K511-I514 HydrophobicContact CB-CG1 4.17Å; K511-I514 HydrophobicContact CG-CD1 4.4Å; K511-I514 WeakPolarHBondContact O-CB 3.4Å; K511-I514 PolarHBondContact O-N 3.33Å; P512-I514 PolarHBondContact O-N 3.16Å; P512-I514 VanDerWaalsContact O-N 3.1Å; I514-E516 VanDerWaalsContact C-N 3.34Å; I514-E516 PolarHBondContact O-N 2.82Å; I514-A517 CarbonylContact O-C 3.59Å; I514-A517 PolarHBondContact O-N 3.32Å; I514-I518 HydrophobicContact CG2-CD1 4.09Å; I514-I518 VanDerWaalsContact O-CG1 3.29Å; I514-I518 WeakPolarHBondContact O-CG1 3.19Å; I514-I518 PolarHBondContact O-N 3.09Å
515	M	76.9	Confident	70.8	Confident	85 Å²	85	94.4 Å²	94.4	42%	0.419	46%	0.457	S	S	.	.	H	α-helix	trans	-59.2	-45.6	174	-172.4	65.5	83.1	0	0	111.3	P509 K511 P512 A517 I518 L519	P509-M515 HydrophobicContact CG-CE 3.9Å; P509-M515 HydrophobicContact CG-SD 4.2Å; K511-M515 PolarHBondContact O-N 2.81Å; P512-M515 WeakPolarHBondContact O-CB 3.43Å; P512-M515 PolarHBondContact O-N 3.41Å; M515-A517 VanDerWaalsContact C-N 3.32Å; M515-A517 PolarHBondContact O-N 3.08Å; M515-I518 WeakPolarHBondContact O-CA 3.47Å; M515-I518 WeakPolarHBondContact O-CB 3.35Å; M515-I518 PolarHBondContact O-N 2.9Å; M515-L519 HydrophobicContact CG-CD1 4.23Å; M515-L519 WeakPolarHBondContact O-CG 3.35Å; M515-L519 PolarHBondContact O-N 3.36Å
516	E	74.2	Confident	69	Low	86 Å²	86	93.3 Å²	93.3	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-40.9	175.2	-168.2	-168.4	171.4	0	0	112.2	P512 I514 I518 L519 R520	P512-E516 WeakPolarHBondContact O-CB 3.3Å; P512-E516 PolarHBondContact O-N 3.49Å; I514-E516 VanDerWaalsContact C-N 3.34Å; I514-E516 PolarHBondContact O-N 2.82Å; E516-I518 VanDerWaalsContact C-N 3.29Å; E516-I518 PolarHBondContact O-N 2.75Å; E516-L519 PolarHBondContact O-N 3.09Å; E516-R520 VanDerWaalsContact O-CB 3.32Å; E516-R520 WeakPolarHBondContact O-CB 3.24Å; E516-R520 WeakPolarHBondContact O-CG 3.48Å; E516-R520 PolarHBondContact O-N 2.84Å; E516-R520 IonicContact OE1-CZ 3.49Å; E516-R520 VanDerWaalsContact OE1-CZ 3.28Å; E516-R520 IonicContact OE1-NE 2.74Å; E516-R520 PolarHBondContact OE1-NE 2.82Å; E516-R520 VanDerWaalsContact OE1-NE 3.1Å; E516-R520 IonicContact OE1-NH2 3Å; E516-R520 PolarHBondContact OE1-NH2 2.85Å
517	A	74.8	Confident	66.9	Low	24 Å²	24	91.4 Å²	91.4	20%	0.198	45%	0.446	C	S	.	.	H	α-helix	trans	-73	-18.9	175.6	0	0	0	0	0	113.9	V498 K513 I514 M515 R521	V498-A517 WeakPolarHBondContact CG1-O 3.37Å; V498-A517 HydrophobicContact CG2-CB 3.73Å; K513-A517 WeakPolarHBondContact O-CB 3.25Å; K513-A517 PolarHBondContact O-N 3.21Å; I514-A517 CarbonylContact O-C 3.59Å; I514-A517 PolarHBondContact O-N 3.32Å; M515-A517 VanDerWaalsContact C-N 3.32Å; M515-A517 PolarHBondContact O-N 3.08Å; A517-R521 WeakPolarHBondContact O-CB 3.22Å
518	I	76.2	Confident	64.5	Low	19 Å²	19	94.3 Å²	94.3	10%	0.097	46%	0.461	C	S	.	.	H	α-helix	trans	-77.8	-51	168.7	-69.6	161.6	0	0	0	109.6	V498 Y501 L502 P509 I514 M515 E516 R521 V522	V498-I518 HydrophobicContact CG1-CB 4.45Å; V498-I518 HydrophobicContact CG1-CG1 3.74Å; Y501-I518 HydrophobicContact CG-CD1 4.45Å; L502-I518 HydrophobicContact CD2-CG2 3.87Å; L502-I518 HydrophobicContact CG-CG2 4.38Å; P509-I518 HydrophobicContact CB-CD1 4.18Å; P509-I518 HydrophobicContact CG-CD1 3.41Å; P509-I518 VanDerWaalsContact CG-CD1 3.41Å; I514-I518 HydrophobicContact CG2-CD1 4.09Å; I514-I518 VanDerWaalsContact O-CG1 3.29Å; I514-I518 WeakPolarHBondContact O-CG1 3.19Å; I514-I518 PolarHBondContact O-N 3.09Å; M515-I518 WeakPolarHBondContact O-CA 3.47Å; M515-I518 WeakPolarHBondContact O-CB 3.35Å; M515-I518 PolarHBondContact O-N 2.9Å; E516-I518 VanDerWaalsContact C-N 3.29Å; E516-I518 PolarHBondContact O-N 2.75Å; I518-R521 CarbonylContact O-C 3.55Å; I518-R521 WeakPolarHBondContact O-CA 3.42Å; I518-R521 WeakPolarHBondContact O-CB 3.38Å; I518-R521 PolarHBondContact O-N 2.99Å; I518-V522 HydrophobicContact CG2-CG2 4.34Å; I518-V522 WeakPolarHBondContact O-CG2 3.24Å; I518-V522 PolarHBondContact O-N 2.85Å
519	L	73.1	Confident	62.7	Low	90 Å²	90	90.4 Å²	90.4	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-56.2	-57.2	178.8	-68.3	169.2	0	0	0	111.1	M515 E516 R521 V522 D523	M515-L519 HydrophobicContact CG-CD1 4.23Å; M515-L519 WeakPolarHBondContact O-CG 3.35Å; M515-L519 PolarHBondContact O-N 3.36Å; E516-L519 PolarHBondContact O-N 3.09Å; L519-R521 PolarHBondContact O-N 2.67Å; L519-V522 PolarHBondContact O-N 2.77Å; L519-D523 PolarHBondContact O-N 2.76Å
520	R	68.6	Low	61.2	Low	157 Å²	157	90.6 Å²	90.6	59%	0.592	46%	0.456	S	S	*	.	H	α-helix	trans	-52.9	-12.7	174.6	-69.9	170.9	178.6	-124.3	9.5	114.9	E516	E516-R520 VanDerWaalsContact O-CB 3.32Å; E516-R520 WeakPolarHBondContact O-CB 3.24Å; E516-R520 WeakPolarHBondContact O-CG 3.48Å; E516-R520 PolarHBondContact O-N 2.84Å; E516-R520 IonicContact OE1-CZ 3.49Å; E516-R520 VanDerWaalsContact OE1-CZ 3.28Å; E516-R520 IonicContact OE1-NE 2.74Å; E516-R520 PolarHBondContact OE1-NE 2.82Å; E516-R520 VanDerWaalsContact OE1-NE 3.1Å; E516-R520 IonicContact OE1-NH2 3Å; E516-R520 PolarHBondContact OE1-NH2 2.85Å
521	R	67.9	Low	60.1	Low	43 Å²	43	94.9 Å²	94.9	16%	0.162	47%	0.47	C	S	.	.	H	α-helix	trans	-105.4	-28.9	178.6	-174.8	177.7	-179.9	114	1.5	113.1	C470 V498 D499 L502 A517 I518 L519 I525	C470-R521 PolarHBondContact SG-NH2 3.08Å; C470-R521 VanDerWaalsContact SG-NH2 3.36Å; V498-R521 VanDerWaalsContact CG1-CD 3.47Å; D499-R521 IonicContact OD1-CZ 2.84Å; D499-R521 IonicContact OD1-NE 2.85Å; D499-R521 PolarHBondContact OD1-NE 2.67Å; D499-R521 IonicContact OD1-NH1 3.18Å; D499-R521 IonicContact OD1-NH2 3.24Å; D499-R521 PolarHBondContact OD1-NH2 2.88Å; D499-R521 IonicContact OD2-CZ 3.43Å; D499-R521 IonicContact OD2-NH2 3.1Å; D499-R521 PolarHBondContact OD2-NH2 2.9Å; L502-R521 HydrophobicContact CD1-CG 4.44Å; A517-R521 WeakPolarHBondContact O-CB 3.22Å; I518-R521 CarbonylContact O-C 3.55Å; I518-R521 WeakPolarHBondContact O-CA 3.42Å; I518-R521 WeakPolarHBondContact O-CB 3.38Å; I518-R521 PolarHBondContact O-N 2.99Å; L519-R521 PolarHBondContact O-N 2.67Å; R521-I525 WeakPolarHBondContact O-CD1 3.15Å; R521-I525 WeakPolarHBondContact O-CG1 3.14Å
522	V	62.9	Low	59.4	Low	45 Å²	45	91.8 Å²	91.8	27%	0.273	46%	0.462	S	S	.	.	H	α-helix	trans	-76.7	-42.5	170.1	174	0	0	0	0	110.3	L502 I518 L519 K524 I525 I526	L502-V522 HydrophobicContact CD2-CG2 4Å; I518-V522 HydrophobicContact CG2-CG2 4.34Å; I518-V522 WeakPolarHBondContact O-CG2 3.24Å; I518-V522 PolarHBondContact O-N 2.85Å; L519-V522 PolarHBondContact O-N 2.77Å; V522-K524 VanDerWaalsContact C-N 3.3Å; V522-K524 PolarHBondContact O-N 2.93Å; V522-I525 WeakPolarHBondContact O-CA 3.29Å; V522-I525 WeakPolarHBondContact O-CB 3.28Å; V522-I525 PolarHBondContact O-N 2.89Å; V522-I526 HydrophobicContact CG1-CD1 3.86Å; V522-I526 PolarHBondContact O-N 3.15Å
523	D	52.2	Low	59.5	Low	82 Å²	82	89.5 Å²	89.5	44%	0.439	44%	0.444	S	S	.	.	H	α-helix	trans	-60.4	-40.8	179.4	-52.9	-29.8	0	0	0	111.2	L519 I525 I526 I527	L519-D523 PolarHBondContact O-N 2.76Å; D523-I525 PolarHBondContact O-N 2.9Å; D523-I526 PolarHBondContact O-N 2.9Å; D523-I527 PolarHBondContact O-N 2.97Å
524	K	48.2	Very low	60	Low	170 Å²	170	84.1 Å²	84.1	74%	0.739	42%	0.419	S	S	*	.	H	α-helix	trans	-67.7	6.3	172.9	-79.5	-155.3	174.3	-142.8	0	115.3	V522	V522-K524 VanDerWaalsContact C-N 3.3Å; V522-K524 PolarHBondContact O-N 2.93Å
525	I	40.6	Very low	60.4	Low	50 Å²	50	86.4 Å²	86.4	26%	0.256	43%	0.434	S	S	.	.	H	α-helix	trans	-119.8	-27.7	176.5	-63.7	167.9	0	0	0	111.6	A432 R521 V522 D523 I527	A432-I525 HydrophobicContact CB-CB 4.33Å; A432-I525 HydrophobicContact CB-CD1 3.99Å; A432-I525 HydrophobicContact CB-CG2 3.6Å; R521-I525 WeakPolarHBondContact O-CD1 3.15Å; R521-I525 WeakPolarHBondContact O-CG1 3.14Å; V522-I525 WeakPolarHBondContact O-CA 3.29Å; V522-I525 WeakPolarHBondContact O-CB 3.28Å; V522-I525 PolarHBondContact O-N 2.89Å; D523-I525 PolarHBondContact O-N 2.9Å; I525-I527 VanDerWaalsContact C-N 3.34Å
526	I	37.7	Very low	60.7	Low	131 Å²	131	83.2 Å²	83.2	67%	0.672	42%	0.423	S	S	*	.	H	α-helix	trans	-77.4	-25.9	178.1	-65.5	170.4	0	0	0	111.2	V522 D523	V522-I526 HydrophobicContact CG1-CD1 3.86Å; V522-I526 PolarHBondContact O-N 3.15Å; D523-I526 PolarHBondContact O-N 2.9Å
527	I	34.9	Very low	61.3	Low	117 Å²	117	83.5 Å²	83.5	60%	0.6	42%	0.423	S	S	*	.	S	Bend	trans	-121.6	120.7	-177.1	-48.8	178.4	0	0	0	108.3	D523 I525	D523-I527 PolarHBondContact O-N 2.97Å; I525-I527 VanDerWaalsContact C-N 3.34Å
528	Q	30.8	Very low	61.7	Low	162 Å²	162	82.5 Å²	82.5	76%	0.757	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-59.1	132.1	164.1	-71.6	-170.6	11.3	0	0	107.6	P530	Q528-P530 VanDerWaalsContact O-N 3.08Å
529	P	39.8	Very low	61.9	Low	111 Å²	111	84.9 Å²	84.9	72%	0.721	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-56	123	179.1	24.3	-33.1	0	0	0	108.5	Q531	P529-Q531 PolarHBondContact O-N 3.04Å
530	P	46.7	Very low	62.1	Low	29 Å²	29	81.6 Å²	81.6	19%	0.188	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-55.6	131.1	-172.4	20	-33	0	0	0	110.2	Q528 P532 Q647 T648	Q528-P530 VanDerWaalsContact O-N 3.08Å; P530-P532 WeakPolarHBondContact O-CD 3.39Å; P530-P532 VanDerWaalsContact O-N 3.08Å; P530-Q647 HydrophobicContact CB-CB 4.42Å; P530-Q647 HydrophobicContact CG-CB 3.76Å; P530-Q647 HydrophobicContact CG-CG 3.94Å; P530-T648 WeakPolarHBondContact CB-OG1 3.46Å
531	Q	51.9	Low	61.9	Low	163 Å²	163	74.2 Å²	74.2	76%	0.762	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-51.9	118.1	176.2	-75.6	-76.4	8	0	0	108.2	P529 L533	P529-Q531 PolarHBondContact O-N 3.04Å; Q531-L533 PolarHBondContact O-N 2.86Å; Q531-L533 VanDerWaalsContact O-N 3.07Å
532	P	63.7	Low	61.3	Low	56 Å²	56	76.3 Å²	76.3	36%	0.364	39%	0.391	S	S	.	.			trans	-72.3	111	-168.9	27.6	-34.3	0	0	0	109.8	P530 R534 T535 V645 L646	P530-P532 WeakPolarHBondContact O-CD 3.39Å; P530-P532 VanDerWaalsContact O-N 3.08Å; P532-R534 PolarHBondContact O-N 2.84Å; P532-R534 VanDerWaalsContact O-N 3.12Å; P532-T535 HydrophobicContact CB-CG2 3.73Å; P532-T535 HydrophobicContact CG-CG2 3.81Å; P532-V645 HydrophobicContact CB-CG1 3.65Å; P532-L646 CarbonylContact C-O 3.44Å; P532-L646 WeakPolarHBondContact CA-O 3.44Å
533	L	77.1	Confident	60.8	Low	68 Å²	68	78.2 Å²	78.2	36%	0.356	40%	0.395	S	S	.	.	S	Bend	trans	-57.6	-30.8	-175.8	-163.2	82.9	0	0	0	111.9	Q531 L646 R876 V877	Q531-L533 PolarHBondContact O-N 2.86Å; Q531-L533 VanDerWaalsContact O-N 3.07Å; L533-L646 PolarHBondContact N-O 2.89Å; L533-R876 HydrophobicContact CD2-CG 4.43Å; L533-V877 HydrophobicContact CB-CG2 4.05Å; L533-V877 HydrophobicContact CD2-CG2 3.44Å; L533-V877 VanDerWaalsContact CD2-CG2 3.44Å; L533-V877 HydrophobicContact CG-CG2 4.33Å
534	R	82.8	Confident	60.3	Low	58 Å²	58	80.9 Å²	80.9	22%	0.219	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	138.3	169.1	-172.9	170	-71.9	-85.2	-1.7	111.4	P532 L646 Q869 W870 S873	P532-R534 PolarHBondContact O-N 2.84Å; P532-R534 VanDerWaalsContact O-N 3.12Å; R534-L646 HydrophobicContact CB-CB 4.44Å; R534-L646 PolarHBondContact N-O 3.08Å; R534-L646 PolarHBondContact O-N 3.38Å; R534-Q869 PolarHBondContact NE-O 3.29Å; R534-Q869 PolarHBondContact NH2-O 2.89Å; R534-W870 HydrophobicContact CB-CE3 4.31Å; R534-W870 HydrophobicContact CB-CH2 4.26Å; R534-W870 HydrophobicContact CB-CZ3 3.92Å; R534-W870 VanDerWaalsContact CD-CE3 3.42Å; R534-W870 HydrophobicContact CG-CD2 4.1Å; R534-W870 HydrophobicContact CG-CE3 3.9Å; R534-W870 HydrophobicContact CG-CH2 3.73Å; R534-W870 HydrophobicContact CG-CZ2 3.95Å; R534-W870 HydrophobicContact CG-CZ3 3.69Å; R534-S873 PolarHBondContact NE-OG 2.91Å; R534-S873 PolarHBondContact NH2-OG 2.74Å
535	T	88.2	Confident	59.6	Low	69 Å²	69	79.6 Å²	79.6	42%	0.423	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.5	164.2	68.9	0	0	0	0	110.2	P532 F643 C644 V645	P532-T535 HydrophobicContact CB-CG2 3.73Å; P532-T535 HydrophobicContact CG-CG2 3.81Å; T535-F643 HydrophobicContact CG2-CZ 4.29Å; T535-C644 VanDerWaalsContact CA-O 3.3Å; T535-C644 WeakPolarHBondContact CA-O 2.95Å; T535-V645 HydrophobicContact CG2-CB 4.43Å; T535-V645 HydrophobicContact CG2-CG1 4.16Å; T535-V645 HydrophobicContact CG2-CG2 4.08Å
536	G	83.3	Confident	59.2	Low	18 Å²	18	82.3 Å²	82.3	19%	0.186	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-175.3	177.2	0	0	0	0	0	112.5	F643 C644	G536-F643 CarbonylContact O-C 3.54Å; G536-C644 PolarHBondContact N-O 2.85Å; G536-C644 VanDerWaalsContact N-O 3.11Å; G536-C644 PolarHBondContact O-N 2.97Å
537	F	85.5	Confident	59	Low	91 Å²	91	84.1 Å²	84.1	40%	0.399	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.3	173.2	-65.3	-82.3	0	0	0	110.5	R641 L642 F643	F537-R641 HydrophobicContact CB-CG 4.3Å; F537-R641 HydrophobicContact CD1-CG 4.1Å; F537-L642 WeakPolarHBondContact CA-O 3.5Å; F537-F643 HydrophobicContact CD1-CB 4.2Å; F537-F643 HydrophobicContact CD1-CD2 4.29Å; F537-F643 HydrophobicContact CE1-CB 3.93Å; F537-F643 AromaticContact CE1-CD2 3.98Å; F537-F643 HydrophobicContact CE1-CD2 3.98Å; F537-F643 HydrophobicContact CE1-CG 4.43Å; F537-F643 HydrophobicContact CE2-CD2 4.24Å; F537-F643 AromaticContact CZ-CD2 3.95Å; F537-F643 HydrophobicContact CZ-CD2 3.95Å
538	L	84.4	Confident	58.6	Low	3 Å²	3	83.3 Å²	83.3	2%	0.016	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.1	167.2	-67.8	167.1	0	0	0	108.7	L642 C644 F652 F845 F859 A861 W870	L538-L642 PolarHBondContact N-O 2.97Å; L538-L642 PolarHBondContact O-N 3.03Å; L538-C644 HydrophobicContact CD1-CB 4.23Å; L538-F652 HydrophobicContact CD1-CZ 3.89Å; L538-F845 HydrophobicContact CD1-CE1 4.14Å; L538-F845 HydrophobicContact CD1-CZ 3.94Å; L538-F845 HydrophobicContact CD2-CE1 4.24Å; L538-F859 HydrophobicContact CB-CD1 4.24Å; L538-F859 HydrophobicContact CD1-CB 4.12Å; L538-F859 HydrophobicContact CD1-CD1 4.14Å; L538-F859 HydrophobicContact CD1-CG 4.26Å; L538-A861 HydrophobicContact CD2-CB 3.93Å; L538-W870 HydrophobicContact CD1-CD2 4.02Å; L538-W870 HydrophobicContact CD1-CG 4.33Å; L538-W870 HydrophobicContact CD1-CZ2 4.18Å; L538-W870 HydrophobicContact CD2-CG 4.41Å; L538-W870 HydrophobicContact CG-CZ2 4.36Å
539	M	79.6	Confident	58.5	Low	70 Å²	70	81.9 Å²	81.9	35%	0.345	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.5	165.6	-79.1	166.3	52.4	0	0	108.7	L639 F859 E860	M539-L639 HydrophobicContact CB-CB 4.48Å; M539-L639 HydrophobicContact CB-CD2 4.42Å; M539-L639 HydrophobicContact CE-CB 3.82Å; M539-L639 HydrophobicContact CE-CD1 3.84Å; M539-L639 HydrophobicContact CE-CG 4.34Å; M539-F859 CarbonylContact O-C 3.6Å; M539-F859 WeakPolarHBondContact O-CA 3.39Å; M539-E860 HydrophobicContact CB-CB 4.19Å; M539-E860 PolarHBondContact N-O 2.83Å; M539-E860 PolarHBondContact O-N 2.9Å
540	W	76.7	Confident	57.9	Low	21 Å²	21	85.2 Å²	85.2	8%	0.08	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.2	-175.8	171	63.2	0	0	0	110.5	H542 L639 S640 L642 H857 F859	W540-H542 HydrophobicContact CE3-CB 4.18Å; W540-H542 HydrophobicContact CH2-CB 3.78Å; W540-H542 AromaticContact CH2-CG 3.68Å; W540-H542 AromaticContact CH2-ND1 3.1Å; W540-H542 WeakPolarHBondContact CH2-ND1 3.4Å; W540-H542 HydrophobicContact CZ2-CB 4.07Å; W540-H542 AromaticContact CZ2-ND1 3.27Å; W540-H542 VanDerWaalsContact CZ2-ND1 3.27Å; W540-H542 WeakPolarHBondContact CZ2-ND1 3.26Å; W540-H542 HydrophobicContact CZ3-CB 3.8Å; W540-H542 AromaticContact CZ3-ND1 3.99Å; W540-L639 WeakPolarHBondContact O-CA 3.34Å; W540-S640 PolarHBondContact N-O 2.83Å; W540-S640 PolarHBondContact O-N 2.84Å; W540-L642 HydrophobicContact CB-CD1 4.23Å; W540-L642 HydrophobicContact CD2-CD1 3.97Å; W540-L642 HydrophobicContact CE3-CD1 3.43Å; W540-L642 VanDerWaalsContact CE3-CD1 3.43Å; W540-L642 HydrophobicContact CE3-CG 4.31Å; W540-L642 HydrophobicContact CG-CD1 4.34Å; W540-L642 HydrophobicContact CZ3-CD1 3.94Å; W540-H857 AromaticContact CE2-ND1 3.6Å; W540-H857 AromaticContact CZ2-ND1 3.64Å; W540-H857 AromaticContact NE1-CG 3.75Å; W540-H857 AromaticContact NE1-ND1 3.11Å; W540-H857 PolarHBondContact NE1-ND1 3.26Å; W540-H857 VanDerWaalsContact NE1-ND1 3.11Å; W540-F859 HydrophobicContact CB-CD1 4.08Å; W540-F859 HydrophobicContact CB-CE1 4.05Å; W540-F859 AromaticContact CD1-CE1 3.57Å; W540-F859 AromaticContact CD1-CZ 3.97Å; W540-F859 HydrophobicContact CG-CD1 4.39Å; W540-F859 AromaticContact CG-CE1 3.99Å; W540-F859 HydrophobicContact CG-CE1 3.99Å
541	C	66	Low	57	Low	2 Å²	2	88.5 Å²	88.5	1%	0.014	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.2	174.1	-175.1	0	0	0	0	110.6	F543 L639 Y858	C541-F543 HydrophobicContact CB-CE2 4.09Å; C541-F543 WeakPolarHBondContact SG-CE2 3.5Å; C541-F543 VanDerWaalsContact SG-CZ 3.51Å; C541-L639 HydrophobicContact CB-CD2 3.84Å; C541-Y858 HydrophobicContact CB-CD1 4.36Å; C541-Y858 PolarHBondContact N-O 3.12Å
542	H	54.8	Low	55.9	Low	87 Å²	87	87.1 Å²	87.1	40%	0.403	47%	0.472	S	S	.	.			trans	-94.2	111.1	171.8	-168	70.8	0	0	0	111.3	W540	W540-H542 HydrophobicContact CE3-CB 4.18Å; W540-H542 HydrophobicContact CH2-CB 3.78Å; W540-H542 AromaticContact CH2-CG 3.68Å; W540-H542 AromaticContact CH2-ND1 3.1Å; W540-H542 WeakPolarHBondContact CH2-ND1 3.4Å; W540-H542 HydrophobicContact CZ2-CB 4.07Å; W540-H542 AromaticContact CZ2-ND1 3.27Å; W540-H542 VanDerWaalsContact CZ2-ND1 3.27Å; W540-H542 WeakPolarHBondContact CZ2-ND1 3.26Å; W540-H542 HydrophobicContact CZ3-CB 3.8Å; W540-H542 AromaticContact CZ3-ND1 3.99Å
543	F	51.7	Low	54.4	Low	84 Å²	84	91.4 Å²	91.4	37%	0.368	49%	0.491	S	S	.	.			trans	-87.1	107.8	172.5	-67.3	-81.3	0	0	0	110.3	C541 L838	C541-F543 HydrophobicContact CB-CE2 4.09Å; C541-F543 WeakPolarHBondContact SG-CE2 3.5Å; C541-F543 VanDerWaalsContact SG-CZ 3.51Å; F543-L838 HydrophobicContact CZ-CD1 4.43Å
544	N	42	Very low	52	Low	138 Å²	138	99.2 Å²	99.2	74%	0.738	52%	0.515	S	S	*	.			trans	-60.1	136.8	178.4	-85.7	-46.4	0	0	0	111.9	S546	N544-S546 PolarHBondContact O-N 3.44Å
545	N	33.9	Very low	49.5	Very low	143 Å²	143	104.4 Å²	104.4	77%	0.765	55%	0.547	S	S	*	.	S	Bend	trans	-64.3	96.5	-172.8	-84	-72.8	0	0	0	114.5
546	S	31.8	Very low	46.7	Very low	108 Å²	108	107 Å²	107	76%	0.755	56%	0.564	S	S	*	*			trans	-160.7	60.9	152.1	66.7	0	0	0	0	114.7	N544 S548	N544-S546 PolarHBondContact O-N 3.44Å; S546-S548 PolarHBondContact O-N 2.84Å
547	W	32.7	Very low	44	Very low	169 Å²	169	115.6 Å²	115.6	64%	0.64	60%	0.597	S	S	*	*			trans	-69.9	108.7	157.4	-76.8	103.1	0	0	0	108.7	T549	W547-T549 PolarHBondContact O-N 3.05Å
548	S	27.4	Very low	41.3	Very low	100 Å²	100	117 Å²	117	70%	0.699	62%	0.618	S	S	*	*			trans	-75.3	103.8	-177.9	55	0	0	0	0	111.1	S546 K550	S546-S548 PolarHBondContact O-N 2.84Å; S548-K550 PolarHBondContact O-N 2.81Å
549	T	28.8	Very low	38.7	Very low	132 Å²	132	121.7 Å²	121.7	81%	0.81	65%	0.651	S	S	*	*			trans	-73.8	37.8	174.4	52.5	0	0	0	0	113.3	W547	W547-T549 PolarHBondContact O-N 3.05Å
550	K	27.6	Very low	36.4	Very low	180 Å²	180	125.4 Å²	125.4	78%	0.783	67%	0.671	S	S	*	*	S	Bend	trans	-137.9	127.4	176	-70.3	-171.5	175.7	-176.4	0	109	S548	S548-K550 PolarHBondContact O-N 2.81Å
551	S	26.4	Very low	34	Very low	99 Å²	99	133 Å²	133	69%	0.692	71%	0.707	S	S	*	*			trans	-63.3	147.4	177.7	38.2	0	0	0	0	111.9	I553	S551-I553 PolarHBondContact O-N 2.7Å; S551-I553 VanDerWaalsContact O-N 3.1Å
552	P	30.5	Very low	32.2	Very low	133 Å²	133	144 Å²	144	86%	0.864	75%	0.75	S	S	*	*			trans	-71.4	105.7	-178.7	27.9	-33.7	0	0	0	111.1	R554	P552-R554 PolarHBondContact O-N 3.2Å
553	I	30.7	Very low	30.9	Very low	147 Å²	147	151.3 Å²	151.3	75%	0.754	77%	0.774	S	S	*	*			trans	-83	105.6	178.4	-62.8	177.2	0	0	0	110	S551	S551-I553 PolarHBondContact O-N 2.7Å; S551-I553 VanDerWaalsContact O-N 3.1Å
554	R	27.1	Very low	29.8	Very low	231 Å²	231	152.5 Å²	152.5	87%	0.872	79%	0.793	S	S	*	*			trans	44.4	100.6	152.2	-60.8	-179.4	178.8	176.2	-0.2	117.4	P552	P552-R554 PolarHBondContact O-N 3.2Å
555	L	29.9	Very low	29.1	Very low	168 Å²	168	151 Å²	151	88%	0.88	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-68.9	150.9	153.7	-71.9	169.3	0	0	0	110.9
556	P	28.8	Very low	28.9	Very low	122 Å²	122	150 Å²	150	79%	0.792	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65	164.7	174.4	-21.9	34.7	0	0	0	114
557	K	27.6	Very low	29.2	Very low	200 Å²	200	149.3 Å²	149.3	87%	0.87	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-81.6	160.6	176.6	-71.3	-177.1	176.2	-178.6	0	112.1
558	S	29.9	Very low	29.6	Very low	121 Å²	121	145.4 Å²	145.4	85%	0.846	77%	0.773	S	S	*	*			trans	69.2	126.8	-172.3	75	0	0	0	0	113
559	S	29.3	Very low	30.4	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	77%	0.765	S	S	*	*	S	Bend	cis	-147.3	160.5	9	54.1	0	0	0	0	112.8
560	I	30.1	Very low	30.9	Very low	149 Å²	149	144.1 Å²	144.1	76%	0.764	75%	0.745	S	S	*	*			trans	56	85.2	165.2	-54.7	152.7	0	0	0	114.5
561	Q	27.4	Very low	31.9	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	73%	0.727	S	S	*	*				49.3	94	82.8	-67.7	-169.4	-24	0	0	116.1
562	Y	28.6	Very low	32.8	Very low	235 Å²	235	139 Å²	139	92%	0.922	71%	0.71	S	S	*	*			trans	-136.1	160.6	132.8	-121.7	-91.7	0	0	0	109.5
563	R	27.6	Very low	33.6	Very low	240 Å²	240	137.1 Å²	137.1	91%	0.906	69%	0.689	S	S	*	*			trans	-74.4	141.7	-158.5	-68.3	-179.3	177.3	172.2	-1	114.8
564	S	26.8	Very low	34.4	Very low	109 Å²	109	136 Å²	136	76%	0.762	68%	0.681	S	S	*	*			trans	-78.9	141.5	165.1	52.5	0	0	0	0	112.3
565	V	28.5	Very low	35.2	Very low	106 Å²	106	127 Å²	127	64%	0.642	65%	0.649	S	S	*	*			trans	-128.8	147.1	148.6	-177.6	0	0	0	0	105.2	T567	V565-T567 PolarHBondContact O-N 3.07Å
566	D	30.4	Very low	36.2	Very low	122 Å²	122	120.3 Å²	120.3	65%	0.652	61%	0.614	S	S	*	*			trans	-75	70.1	-177.2	-82	-63.7	0	0	0	112.4	S568 F569 E570	D566-S568 PolarHBondContact O-N 2.84Å; D566-F569 PolarHBondContact O-N 3.2Å; D566-E570 PolarHBondContact O-N 3.03Å
567	T	36.7	Very low	37	Very low	93 Å²	93	121.8 Å²	121.8	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-63.3	-5.9	-172.2	53.8	0	0	0	0	115.2	V565 I571	V565-T567 PolarHBondContact O-N 3.07Å; T567-I571 VanDerWaalsContact O-CB 3.26Å; T567-I571 WeakPolarHBondContact O-CB 3.45Å; T567-I571 VanDerWaalsContact O-CD1 3.28Å; T567-I571 WeakPolarHBondContact O-CD1 3.4Å; T567-I571 WeakPolarHBondContact O-CG1 3.43Å
568	S	42.5	Very low	38	Very low	88 Å²	88	116.4 Å²	116.4	62%	0.615	58%	0.584	S	S	*	*	H	α-helix	trans	-81.5	-25.2	170.3	67.9	0	0	0	0	113.4	D566 R572	D566-S568 PolarHBondContact O-N 2.84Å; S568-R572 WeakPolarHBondContact O-CD 3.32Å; S568-R572 WeakPolarHBondContact O-CG 3.34Å
569	F	42.3	Very low	38.6	Very low	124 Å²	124	112 Å²	112	54%	0.544	55%	0.551	S	S	.	*	H	α-helix	trans	-91.3	-49.9	-179.5	-166.8	-104.4	0	0	0	111.3	D566 I571 R572 K573	D566-F569 PolarHBondContact O-N 3.2Å; F569-I571 PolarHBondContact O-N 2.84Å; F569-R572 WeakPolarHBondContact O-CB 3.38Å; F569-R572 PolarHBondContact O-N 3.42Å; F569-K573 HydrophobicContact CE1-CD 4.22Å; F569-K573 WeakPolarHBondContact O-CB 2.93Å; F569-K573 PolarHBondContact O-N 3.24Å
570	E	41.1	Very low	38.9	Very low	81 Å²	81	108.4 Å²	108.4	38%	0.379	53%	0.53	S	S	.	.	H	α-helix	trans	-61.7	-40.7	177.8	-92.8	47.9	-125.8	0	0	112.8	D566 R572 K573 E574	D566-E570 PolarHBondContact O-N 3.03Å; E570-R572 PolarHBondContact O-N 3.44Å; E570-K573 CarbonylContact O-C 3.59Å; E570-K573 WeakPolarHBondContact O-CB 3.37Å; E570-K573 PolarHBondContact O-N 3.34Å; E570-K573 VanDerWaalsContact O-N 3.1Å; E570-K573 IonicContact OE1-NZ 3.86Å; E570-E574 PolarHBondContact O-N 2.9Å
571	I	46.7	Very low	39.4	Very low	79 Å²	79	103.4 Å²	103.4	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-66.5	-37.8	175.3	-64.7	178.6	0	0	0	111.4	T567 F569 K573 E574 M575	T567-I571 VanDerWaalsContact O-CB 3.26Å; T567-I571 WeakPolarHBondContact O-CB 3.45Å; T567-I571 VanDerWaalsContact O-CD1 3.28Å; T567-I571 WeakPolarHBondContact O-CD1 3.4Å; T567-I571 WeakPolarHBondContact O-CG1 3.43Å; F569-I571 PolarHBondContact O-N 2.84Å; I571-K573 VanDerWaalsContact C-N 3.27Å; I571-K573 PolarHBondContact O-N 3.01Å; I571-E574 PolarHBondContact O-N 2.93Å; I571-M575 HydrophobicContact CG2-SD 4.48Å; I571-M575 WeakPolarHBondContact O-CB 3.4Å; I571-M575 WeakPolarHBondContact O-CG 3.11Å; I571-M575 PolarHBondContact O-N 3.43Å
572	R	45.3	Very low	39.6	Very low	91 Å²	91	101.1 Å²	101.1	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-40.1	170.5	-88	-179.9	165.9	-164	-8.7	111.3	S568 F569 E570 M575 L576 E829	S568-R572 WeakPolarHBondContact O-CD 3.32Å; S568-R572 WeakPolarHBondContact O-CG 3.34Å; F569-R572 WeakPolarHBondContact O-CB 3.38Å; F569-R572 PolarHBondContact O-N 3.42Å; E570-R572 PolarHBondContact O-N 3.44Å; R572-M575 PolarHBondContact O-N 3.47Å; R572-L576 VanDerWaalsContact O-CB 3.32Å; R572-L576 WeakPolarHBondContact O-CB 3.46Å; R572-L576 VanDerWaalsContact O-CG 3.23Å; R572-L576 WeakPolarHBondContact O-CG 3.38Å; R572-L576 PolarHBondContact O-N 3.18Å; R572-E829 PolarHBondContact NH2-O 3.29Å
573	K	49.1	Very low	39.7	Very low	95 Å²	95	97.5 Å²	97.5	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-73.9	-31	-177.2	-156.7	174.5	-171.5	175.9	0	113.2	F569 E570 I571 R577	F569-K573 HydrophobicContact CE1-CD 4.22Å; F569-K573 WeakPolarHBondContact O-CB 2.93Å; F569-K573 PolarHBondContact O-N 3.24Å; E570-K573 CarbonylContact O-C 3.59Å; E570-K573 WeakPolarHBondContact O-CB 3.37Å; E570-K573 PolarHBondContact O-N 3.34Å; E570-K573 VanDerWaalsContact O-N 3.1Å; E570-K573 IonicContact OE1-NZ 3.86Å; I571-K573 VanDerWaalsContact C-N 3.27Å; I571-K573 PolarHBondContact O-N 3.01Å; K573-R577 VanDerWaalsContact O-CG 3.3Å; K573-R577 WeakPolarHBondContact O-CG 3.43Å; K573-R577 PolarHBondContact O-N 2.8Å
574	E	47.2	Very low	39.8	Very low	124 Å²	124	91.3 Å²	91.3	58%	0.579	48%	0.482	S	S	*	.	H	α-helix	trans	-71.1	-49.8	166.7	-74.8	-171.8	132.2	0	0	111.3	E570 I571 L576 R577 D578	E570-E574 PolarHBondContact O-N 2.9Å; I571-E574 PolarHBondContact O-N 2.93Å; E574-L576 VanDerWaalsContact C-N 3.3Å; E574-L576 PolarHBondContact O-N 3.05Å; E574-R577 WeakPolarHBondContact O-CA 3.28Å; E574-R577 WeakPolarHBondContact O-CB 3.35Å; E574-R577 PolarHBondContact O-N 2.74Å; E574-D578 PolarHBondContact O-N 3.47Å
575	M	43.9	Very low	39.9	Very low	42 Å²	42	90.9 Å²	90.9	21%	0.207	48%	0.479	C	S	.	.	H	α-helix	trans	-60.1	-37.3	178.6	-74.9	-170.1	166.1	0	0	113.1	I571 R572 R577 D578 I579	I571-M575 HydrophobicContact CG2-SD 4.48Å; I571-M575 WeakPolarHBondContact O-CB 3.4Å; I571-M575 WeakPolarHBondContact O-CG 3.11Å; I571-M575 PolarHBondContact O-N 3.43Å; R572-M575 PolarHBondContact O-N 3.47Å; M575-R577 VanDerWaalsContact C-N 3.29Å; M575-R577 PolarHBondContact O-N 2.79Å; M575-D578 PolarHBondContact O-N 2.85Å; M575-I579 WeakPolarHBondContact O-CB 3.42Å; M575-I579 WeakPolarHBondContact O-CD1 3.47Å; M575-I579 WeakPolarHBondContact O-CG1 3.45Å; M575-I579 PolarHBondContact O-N 3.09Å
576	L	49.7	Very low	40	Very low	27 Å²	27	93.8 Å²	93.8	14%	0.141	49%	0.491	C	S	.	.	H	α-helix	trans	-71.9	-19.2	174.8	-71.6	170	0	0	0	113.6	R572 E574 L581 L825 V828	R572-L576 VanDerWaalsContact O-CB 3.32Å; R572-L576 WeakPolarHBondContact O-CB 3.46Å; R572-L576 VanDerWaalsContact O-CG 3.23Å; R572-L576 WeakPolarHBondContact O-CG 3.38Å; R572-L576 PolarHBondContact O-N 3.18Å; E574-L576 VanDerWaalsContact C-N 3.3Å; E574-L576 PolarHBondContact O-N 3.05Å; L576-L581 HydrophobicContact CD2-CD1 3.94Å; L576-L581 PolarHBondContact O-N 2.92Å; L576-L825 HydrophobicContact CD1-CD2 4.41Å; L576-L825 HydrophobicContact CD2-CD2 3.93Å; L576-V828 HydrophobicContact CD2-CG1 4.14Å
577	R	47	Very low	39.9	Very low	153 Å²	153	97 Å²	97	58%	0.577	50%	0.499	S	S	*	.	H	α-helix	trans	-80.1	-43.6	168.5	-77	170.7	174.1	178.5	-2	111.8	K573 E574 M575 I579 G580	K573-R577 VanDerWaalsContact O-CG 3.3Å; K573-R577 WeakPolarHBondContact O-CG 3.43Å; K573-R577 PolarHBondContact O-N 2.8Å; E574-R577 WeakPolarHBondContact O-CA 3.28Å; E574-R577 WeakPolarHBondContact O-CB 3.35Å; E574-R577 PolarHBondContact O-N 2.74Å; M575-R577 VanDerWaalsContact C-N 3.29Å; M575-R577 PolarHBondContact O-N 2.79Å; R577-I579 PolarHBondContact O-N 2.94Å; R577-G580 WeakPolarHBondContact O-CA 3.32Å; R577-G580 PolarHBondContact O-N 2.96Å
578	D	47.7	Very low	39.4	Very low	86 Å²	86	102.6 Å²	102.6	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-57.2	-33.3	174	-73.9	-1.1	0	0	0	111.5	E574 M575 G580 R840	E574-D578 PolarHBondContact O-N 3.47Å; M575-D578 PolarHBondContact O-N 2.85Å; D578-G580 VanDerWaalsContact C-N 3.29Å; D578-R840 IonicContact OD2-CZ 2.66Å; D578-R840 IonicContact OD2-NH2 2.99Å; D578-R840 PolarHBondContact OD2-NH2 2.94Å
579	I	42	Very low	38.7	Very low	28 Å²	28	103.8 Å²	103.8	14%	0.144	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	3.5	177.7	-61.6	164	0	0	0	111.9	I10 M575 R577 L581	I10-I579 HydrophobicContact CD1-CD1 4.41Å; I10-I579 HydrophobicContact CD1-CG2 3.77Å; I10-I579 HydrophobicContact CG1-CG2 3.9Å; M575-I579 WeakPolarHBondContact O-CB 3.42Å; M575-I579 WeakPolarHBondContact O-CD1 3.47Å; M575-I579 WeakPolarHBondContact O-CG1 3.45Å; M575-I579 PolarHBondContact O-N 3.09Å; R577-I579 PolarHBondContact O-N 2.94Å; I579-L581 VanDerWaalsContact C-N 3.34Å; I579-L581 HydrophobicContact CG2-CD1 4.01Å; I579-L581 HydrophobicContact CG2-CG 4.34Å; I579-L581 PolarHBondContact O-N 3.49Å
580	G	36.9	Very low	37.8	Very low	26 Å²	26	103.4 Å²	103.4	27%	0.268	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	11.2	170.9	0	0	0	0	0	116.5	R577 D578 F582	R577-G580 WeakPolarHBondContact O-CA 3.32Å; R577-G580 PolarHBondContact O-N 2.96Å; D578-G580 VanDerWaalsContact C-N 3.29Å; G580-F582 VanDerWaalsContact C-N 3.31Å; G580-F582 PolarHBondContact O-N 3.3Å
581	L	40.5	Very low	37.5	Very low	44 Å²	44	109.2 Å²	109.2	23%	0.23	56%	0.555	C	S	.	*			trans	-83.7	4.9	-172.8	-74.3	167.6	0	0	0	114.9	L576 I579 L825	L576-L581 HydrophobicContact CD2-CD1 3.94Å; L576-L581 PolarHBondContact O-N 2.92Å; I579-L581 VanDerWaalsContact C-N 3.34Å; I579-L581 HydrophobicContact CG2-CD1 4.01Å; I579-L581 HydrophobicContact CG2-CG 4.34Å; I579-L581 PolarHBondContact O-N 3.49Å; L581-L825 HydrophobicContact CB-CD2 4.35Å; L581-L825 HydrophobicContact CD1-CD2 4.03Å
582	F	31.3	Very low	36.7	Very low	131 Å²	131	112.8 Å²	112.8	58%	0.575	58%	0.575	S	S	*	*			trans	-137.3	101.4	177.8	-94.4	-83.4	0	0	0	112.8	G580	G580-F582 VanDerWaalsContact C-N 3.31Å; G580-F582 PolarHBondContact O-N 3.3Å
583	N	31	Very low	36.2	Very low	158 Å²	158	113.1 Å²	113.1	85%	0.845	59%	0.591	S	S	*	*			trans	-104.8	135.2	168.9	-104.5	-29.1	0	0	0	113.1
584	S	29	Very low	35.6	Very low	111 Å²	111	113.2 Å²	113.2	78%	0.776	60%	0.604	S	S	*	*			trans	-82.4	12.8	-152.4	136.4	0	0	0	0	126.3
585	S	29.1	Very low	35	Very low	99 Å²	99	112.8 Å²	112.8	69%	0.692	61%	0.61	S	S	*	*			trans	-176.2	129	179.7	47.7	0	0	0	0	117.3
586	N	30.1	Very low	34.7	Very low	167 Å²	167	117.9 Å²	117.9	89%	0.893	64%	0.638	S	S	*	*				-178.1	164.8	112.9	-95.6	-42.5	0	0	0	112.9
587	K	27.6	Very low	34.4	Very low	191 Å²	191	121.9 Å²	121.9	83%	0.83	67%	0.665	S	S	*	*			trans	-102.1	147.5	-171.8	-54.2	169.4	-178	172.4	0	112.2
588	F	27.9	Very low	33.9	Very low	210 Å²	210	120.1 Å²	120.1	92%	0.921	67%	0.671	S	S	*	*			trans	-151	167.1	149.7	-103.8	-73.1	0	0	0	111.2
589	T	27.7	Very low	33.5	Very low	113 Å²	113	122.3 Å²	122.3	69%	0.693	68%	0.683	S	S	*	*			trans	-138.5	150	-148.8	50.6	0	0	0	0	116.7
590	C	23.5	Very low	33.3	Very low	115 Å²	115	126.7 Å²	126.7	78%	0.777	71%	0.707	S	S	*	*			trans	66.9	124.6	153.2	-63.8	0	0	0	0	120.8
591	K	33.1	Very low	33.4	Very low	203 Å²	203	132.1 Å²	132.1	88%	0.883	73%	0.725	S	S	*	*				-163.6	162.5	116.5	-103.5	161.4	-173.3	177.6	0	112.3
592	N	31	Very low	33.3	Very low	154 Å²	154	136.9 Å²	136.9	82%	0.824	75%	0.746	S	S	*	*			trans	-84.6	-178.7	-164.3	-44.4	-23.4	0	0	0	111.9
593	S	34.7	Very low	33.7	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	75%	0.752	S	S	*	*			cis	-164.3	167.2	17	52.5	0	0	0	0	113.5
594	S	36	Very low	34.1	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	75%	0.748	S	S	*	*			trans	61.1	142	150.8	49.2	0	0	0	0	119.6
595	T	36	Very low	34.5	Very low	115 Å²	115	136 Å²	136	71%	0.706	75%	0.747	S	S	*	*			cis	-165.7	125.5	1.2	18.5	0	0	0	0	106.6
596	D	37.5	Very low	34.8	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	74%	0.744	S	S	*	*				75	151.8	91.7	-77.7	-42.2	0	0	0	116.8
597	P	42.4	Very low	35.1	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	74%	0.742	S	S	*	*			cis	-143.7	-164	-27.8	34.5	-11.8	0	0	0	115.6
598	V	37.4	Very low	35.3	Very low	116 Å²	116	132 Å²	132	70%	0.703	73%	0.732	S	S	*	*			trans	107.7	103.8	153.1	-169.2	0	0	0	0	120.8
599	N	38.3	Very low	35.6	Very low	133 Å²	133	129.7 Å²	129.7	71%	0.711	73%	0.727	S	S	*	*			trans	40.9	150	137.2	-51.9	-2.3	0	0	0	123
600	N	38	Very low	35.9	Very low	119 Å²	119	128.3 Å²	128.3	64%	0.636	72%	0.723	S	S	*	*			cis	-169.8	-162.2	-12.7	-95.9	-1.4	0	0	0	107.2
601	H	39.4	Very low	36.4	Very low	140 Å²	140	130 Å²	130	65%	0.648	72%	0.724	S	S	*	*			cis	-161.6	153.4	4.5	-110.6	-60.4	0	0	0	109.6
602	H	39.1	Very low	36.4	Very low	145 Å²	145	126 Å²	126	67%	0.671	72%	0.722	S	S	*	*			trans	47.5	150.1	150.7	-59.9	-58.8	0	0	0	123.6
603	D	38.5	Very low	36.4	Very low	129 Å²	129	126.6 Å²	126.6	69%	0.69	72%	0.724	S	S	*	*			cis	-170.1	156.8	-20.4	-101	-5	0	0	0	113
604	S	39.3	Very low	36.5	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	72%	0.721	S	S	*	*			trans	72.7	172.8	157.8	85.3	0	0	0	0	119.5
605	N	37.2	Very low	36.4	Very low	142 Å²	142	129.2 Å²	129.2	76%	0.759	72%	0.722	S	S	*	*			cis	-176.1	169.2	-33.3	-92.6	-4.6	0	0	0	109.3
606	T	35.8	Very low	36.1	Very low	102 Å²	102	130.1 Å²	130.1	63%	0.626	72%	0.722	S	S	*	*			cis	-170.8	148.2	-25.3	33.9	0	0	0	0	111.9
607	Q	36.2	Very low	35.8	Very low	182 Å²	182	130 Å²	130	85%	0.85	72%	0.721	S	S	*	*			trans	67	155.4	150.7	-69.7	173	7.9	0	0	121.2
608	S	33.1	Very low	35.2	Very low	89 Å²	89	132.6 Å²	132.6	62%	0.622	72%	0.723	S	S	*	*			cis	-174.8	157.8	-18.3	55.6	0	0	0	0	115
609	I	34.2	Very low	34.9	Very low	162 Å²	162	136.3 Å²	136.3	83%	0.831	73%	0.733	S	S	*	*			trans	72.5	159.2	148.9	-78.4	164.5	0	0	0	120.2
610	S	33.8	Very low	34.5	Very low	85 Å²	85	134.1 Å²	134.1	59%	0.594	73%	0.728	S	S	*	*			cis	-166.4	162.5	-47.8	82.2	0	0	0	0	114.7
611	N	32.5	Very low	34.1	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	74%	0.737	S	S	*	*			trans	54.7	126.7	148.5	-61.5	-6.2	0	0	0	126.2
612	S	34.8	Very low	33.4	Very low	120 Å²	120	137.8 Å²	137.8	84%	0.839	74%	0.744	S	S	*	*				158.9	166.5	119.2	55	0	0	0	0	116.2
613	L	29.3	Very low	33.2	Very low	165 Å²	165	136.8 Å²	136.8	86%	0.864	75%	0.753	S	S	*	*			trans	-145.6	-178.1	-176.7	-92.9	98.2	0	0	0	108.9
614	P	37.2	Very low	32.6	Very low	97 Å²	97	136 Å²	136	63%	0.63	76%	0.758	S	S	*	*			cis	-135.7	-163.6	-13.1	21	7.1	0	0	0	114.9
615	H	34.1	Very low	32.2	Very low	154 Å²	154	139.1 Å²	139.1	71%	0.713	76%	0.764	S	S	*	*			trans	100.4	109.9	149.1	-73.4	-64.4	0	0	0	124.1
616	I	29.9	Very low	31.7	Very low	134 Å²	134	139.8 Å²	139.8	69%	0.687	77%	0.767	S	S	*	*				50.1	115.6	123.8	-59.4	177.3	0	0	0	120.1
617	N	31.3	Very low	31.3	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	78%	0.776	S	S	*	*				172.3	174	95.7	-132.4	-20.4	0	0	0	113.7
618	H	29.4	Very low	31	Very low	165 Å²	165	141.2 Å²	141.2	76%	0.764	77%	0.771	S	S	*	*			trans	-80.9	150.7	-177.8	-58	-103.2	0	0	0	115.2
619	Q	32.5	Very low	30.7	Very low	194 Å²	194	142.3 Å²	142.3	91%	0.907	78%	0.779	S	S	*	*				-178.3	163.3	108.5	-97.7	177.1	2.1	0	0	115.3
620	S	28.4	Very low	30.6	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	78%	0.78	S	S	*	*			trans	-64.6	152.4	-174.3	47.7	0	0	0	0	118
621	F	29.2	Very low	30.4	Very low	191 Å²	191	146.3 Å²	146.3	84%	0.838	79%	0.793	S	S	*	*				178.7	164.3	107.2	-105.5	-73.8	0	0	0	113.7
622	D	26.3	Very low	30.2	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	79%	0.794	S	S	*	*			trans	-67.4	150.6	-173.7	-62.7	-86.6	0	0	0	117.1
623	S	33.3	Very low	29.9	Very low	123 Å²	123	151.9 Å²	151.9	86%	0.86	80%	0.798	S	S	*	*				-157.8	126.2	127.6	66.6	0	0	0	0	112
624	S	27.7	Very low	29.9	Very low	113 Å²	113	149.6 Å²	149.6	79%	0.79	80%	0.795	S	S	*	*			trans	-69.5	146	-176.7	54.8	0	0	0	0	115.9
625	I	30.8	Very low	29.8	Very low	174 Å²	174	150.9 Å²	150.9	89%	0.892	81%	0.807	S	S	*	*			trans	-146.7	143.3	139.6	-95	149.2	0	0	0	107.2
626	N	24.9	Very low	29.9	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	81%	0.809	S	S	*	*			trans	-135	122.6	-172.8	-150	-2.9	0	0	0	109.4
627	L	28.2	Very low	30.8	Very low	153 Å²	153	144.9 Å²	144.9	80%	0.801	80%	0.797	S	S	*	*			trans	-158.1	106.4	166.2	-141.6	71.6	0	0	0	113.6
628	E	30.3	Very low	31.7	Very low	162 Å²	162	142 Å²	142	76%	0.757	79%	0.788	S	S	*	*			trans	53.3	86	142.7	-57.4	-170.6	152.9	0	0	121.1
629	S	27.4	Very low	33.2	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	77%	0.767	S	S	*	*				48.2	104.9	127.5	62.8	0	0	0	0	121.2
630	I	30.7	Very low	34.8	Very low	168 Å²	168	130.3 Å²	130.3	86%	0.862	74%	0.741	S	S	*	*			trans	-129.2	134.9	145.7	-60.9	-178.4	0	0	0	108.3
631	N	30.6	Very low	37.1	Very low	164 Å²	164	134 Å²	134	88%	0.877	74%	0.741	S	S	*	*			trans	-84.4	138.4	-168.3	-103.9	-47.5	0	0	0	114.5
632	H	28.3	Very low	39.6	Very low	174 Å²	174	125.5 Å²	125.5	81%	0.806	71%	0.705	S	S	*	*			trans	-76.2	152.9	169.8	-64.4	-90.8	0	0	0	112.8
633	K	28.1	Very low	42.3	Very low	213 Å²	213	119.5 Å²	119.5	93%	0.926	67%	0.672	S	S	*	*			trans	-146.1	107.2	144.5	-76	-163.2	176.4	179	0	111.4
634	S	30.2	Very low	44.9	Very low	116 Å²	116	113.7 Å²	113.7	81%	0.811	63%	0.631	S	S	*	*			trans	-87.9	137.7	157	45.7	0	0	0	0	109.1	S636	S634-S636 PolarHBondContact O-N 3.1Å
635	S	33.9	Very low	47.7	Very low	125 Å²	125	109 Å²	109	87%	0.874	60%	0.597	S	S	*	*			trans	-96.7	90.6	-175.4	52.7	0	0	0	0	111.9
636	S	37.2	Very low	50.4	Low	108 Å²	108	100.7 Å²	100.7	76%	0.755	56%	0.555	S	S	*	*			trans	-70.2	127	168.4	56.2	0	0	0	0	111	S634 C638	S634-S636 PolarHBondContact O-N 3.1Å; S636-C638 PolarHBondContact O-N 2.71Å
637	A	47.7	Very low	53.2	Low	54 Å²	54	94.3 Å²	94.3	45%	0.446	52%	0.52	S	S	.	.			trans	-60.4	121.7	169.8	0	0	0	0	0	110.4
638	C	50.3	Low	55.7	Low	86 Å²	86	90.3 Å²	90.3	58%	0.581	50%	0.502	S	S	*	.			trans	-106.7	107.7	179.5	-170.2	0	0	0	0	110	S636 S640	S636-C638 PolarHBondContact O-N 2.71Å; C638-S640 PolarHBondContact O-N 2.95Å
639	L	61.1	Low	58	Low	63 Å²	63	85.6 Å²	85.6	33%	0.33	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.4	179.4	-72.2	160.9	0	0	0	110.3	M539 W540 C541 Y858	M539-L639 HydrophobicContact CB-CB 4.48Å; M539-L639 HydrophobicContact CB-CD2 4.42Å; M539-L639 HydrophobicContact CE-CB 3.82Å; M539-L639 HydrophobicContact CE-CD1 3.84Å; M539-L639 HydrophobicContact CE-CG 4.34Å; W540-L639 WeakPolarHBondContact O-CA 3.34Å; C541-L639 HydrophobicContact CB-CD2 3.84Å; L639-Y858 HydrophobicContact CD2-CD1 4.34Å; L639-Y858 HydrophobicContact CD2-CE1 4.25Å
640	S	67	Low	60.6	Low	50 Å²	50	80.6 Å²	80.6	35%	0.35	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.3	177.7	-63.6	0	0	0	0	110.5	W540 C638 L642	W540-S640 PolarHBondContact N-O 2.83Å; W540-S640 PolarHBondContact O-N 2.84Å; C638-S640 PolarHBondContact O-N 2.95Å; S640-L642 PolarHBondContact O-N 3.39Å
641	R	76.8	Confident	63.1	Low	163 Å²	163	72.7 Å²	72.7	62%	0.615	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	112.3	175.6	-173	-173.9	-173.3	103	-2.4	109.6	F537	F537-R641 HydrophobicContact CB-CG 4.3Å; F537-R641 HydrophobicContact CD1-CG 4.1Å
642	L	80.3	Confident	65.8	Low	14 Å²	14	64.9 Å²	64.9	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	154.2	176.9	-62.9	-174.7	0	0	0	111.1	F537 L538 W540 S640 F654	F537-L642 WeakPolarHBondContact CA-O 3.5Å; L538-L642 PolarHBondContact N-O 2.97Å; L538-L642 PolarHBondContact O-N 3.03Å; W540-L642 HydrophobicContact CB-CD1 4.23Å; W540-L642 HydrophobicContact CD2-CD1 3.97Å; W540-L642 HydrophobicContact CE3-CD1 3.43Å; W540-L642 VanDerWaalsContact CE3-CD1 3.43Å; W540-L642 HydrophobicContact CE3-CG 4.31Å; W540-L642 HydrophobicContact CG-CD1 4.34Å; W540-L642 HydrophobicContact CZ3-CD1 3.94Å; S640-L642 PolarHBondContact O-N 3.39Å; L642-F654 HydrophobicContact CB-CB 4.44Å; L642-F654 HydrophobicContact CD1-CB 3.72Å
643	F	84.4	Confident	68.5	Low	20 Å²	20	57.6 Å²	57.6	9%	0.088	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.3	167.4	-177.5	-103.5	0	0	0	108.7	T535 G536 F537 V645 Y655 R658	T535-F643 HydrophobicContact CG2-CZ 4.29Å; G536-F643 CarbonylContact O-C 3.54Å; F537-F643 HydrophobicContact CD1-CB 4.2Å; F537-F643 HydrophobicContact CD1-CD2 4.29Å; F537-F643 HydrophobicContact CE1-CB 3.93Å; F537-F643 AromaticContact CE1-CD2 3.98Å; F537-F643 HydrophobicContact CE1-CD2 3.98Å; F537-F643 HydrophobicContact CE1-CG 4.43Å; F537-F643 HydrophobicContact CE2-CD2 4.24Å; F537-F643 AromaticContact CZ-CD2 3.95Å; F537-F643 HydrophobicContact CZ-CD2 3.95Å; F643-V645 HydrophobicContact CD1-CG2 3.94Å; F643-V645 HydrophobicContact CE1-CG2 3.61Å; F643-V645 HydrophobicContact CZ-CG2 4.49Å; F643-Y655 PolarHBondContact N-O 3.44Å; F643-Y655 PolarHBondContact O-N 3.31Å; F643-R658 HydrophobicContact CD1-CB 4.25Å; F643-R658 HydrophobicContact CD1-CG 4.26Å; F643-R658 HydrophobicContact CD2-CB 4.24Å; F643-R658 HydrophobicContact CD2-CG 4.29Å; F643-R658 HydrophobicContact CE1-CG 4.04Å; F643-R658 HydrophobicContact CE2-CG 4.08Å; F643-R658 HydrophobicContact CG-CB 4.09Å; F643-R658 HydrophobicContact CG-CG 4.38Å; F643-R658 HydrophobicContact CZ-CG 3.94Å
644	C	87.1	Confident	71.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.8	-171.9	-46.4	0	0	0	0	110.3	T535 G536 L538 F652 E653 F654 W870	T535-C644 VanDerWaalsContact CA-O 3.3Å; T535-C644 WeakPolarHBondContact CA-O 2.95Å; G536-C644 PolarHBondContact N-O 2.85Å; G536-C644 VanDerWaalsContact N-O 3.11Å; G536-C644 PolarHBondContact O-N 2.97Å; L538-C644 HydrophobicContact CD1-CB 4.23Å; C644-F652 HydrophobicContact CB-CE2 3.66Å; C644-F652 HydrophobicContact CB-CZ 4.17Å; C644-E653 CarbonylContact C-O 3.56Å; C644-E653 WeakPolarHBondContact CA-O 3.47Å; C644-F654 HydrophobicContact CB-CD1 3.98Å; C644-F654 HydrophobicContact CB-CE1 4.33Å; C644-W870 HydrophobicContact CB-CH2 3.93Å; C644-W870 HydrophobicContact CB-CZ2 4.26Å
645	V	87	Confident	73.4	Confident	14 Å²	14	43.9 Å²	43.9	9%	0.085	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.6	-174.8	179.2	0	0	0	0	108.5	P532 T535 F643 Q647 F652 E653 Y655	P532-V645 HydrophobicContact CB-CG1 3.65Å; T535-V645 HydrophobicContact CG2-CB 4.43Å; T535-V645 HydrophobicContact CG2-CG1 4.16Å; T535-V645 HydrophobicContact CG2-CG2 4.08Å; F643-V645 HydrophobicContact CD1-CG2 3.94Å; F643-V645 HydrophobicContact CE1-CG2 3.61Å; F643-V645 HydrophobicContact CZ-CG2 4.49Å; V645-Q647 HydrophobicContact CG1-CG 4.23Å; V645-F652 WeakPolarHBondContact O-CA 3.3Å; V645-E653 HydrophobicContact CB-CB 4.43Å; V645-E653 PolarHBondContact N-O 2.84Å; V645-E653 PolarHBondContact O-N 2.96Å; V645-Y655 HydrophobicContact CB-CE2 4.18Å; V645-Y655 HydrophobicContact CG2-CD2 3.96Å; V645-Y655 HydrophobicContact CG2-CE2 3.84Å
646	L	87.9	Confident	75.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.1	172.3	-179.5	71.5	0	0	0	109	P532 L533 R534 F652 V669 W870 S873 I874 V877	P532-L646 CarbonylContact C-O 3.44Å; P532-L646 WeakPolarHBondContact CA-O 3.44Å; L533-L646 PolarHBondContact N-O 2.89Å; R534-L646 HydrophobicContact CB-CB 4.44Å; R534-L646 PolarHBondContact N-O 3.08Å; R534-L646 PolarHBondContact O-N 3.38Å; L646-F652 HydrophobicContact CB-CD2 4.08Å; L646-F652 HydrophobicContact CB-CE2 4.44Å; L646-F652 HydrophobicContact CD1-CB 4.09Å; L646-F652 HydrophobicContact CD1-CD2 4.32Å; L646-F652 HydrophobicContact CD1-CG 4.31Å; L646-V669 HydrophobicContact CD1-CG2 4.23Å; L646-W870 HydrophobicContact CB-CZ3 4Å; L646-S873 WeakPolarHBondContact CD2-O 3.22Å; L646-I874 HydrophobicContact CD1-CG1 4.44Å; L646-I874 HydrophobicContact CD2-CG1 4Å; L646-V877 HydrophobicContact CD1-CG2 4.46Å; L646-V877 HydrophobicContact CD2-CB 4.34Å; L646-V877 HydrophobicContact CD2-CG2 3.69Å; L646-V877 HydrophobicContact CG-CG2 3.9Å
647	Q	83.6	Confident	76.6	Confident	22 Å²	22	38 Å²	38	10%	0.103	22%	0.221	C	C	.	.			trans	-98	160.8	-179.4	-71.8	177.8	24.1	0	0	111.1	P530 V645 D649 S651 E653 V877	P530-Q647 HydrophobicContact CB-CB 4.42Å; P530-Q647 HydrophobicContact CG-CB 3.76Å; P530-Q647 HydrophobicContact CG-CG 3.94Å; V645-Q647 HydrophobicContact CG1-CG 4.23Å; Q647-D649 WeakPolarHBondContact CB-OD1 3.41Å; Q647-D649 PolarHBondContact O-N 2.98Å; Q647-S651 PolarHBondContact N-O 3.28Å; Q647-S651 PolarHBondContact OE1-OG 2.93Å; Q647-E653 PolarHBondContact NE2-OE1 2.8Å; Q647-E653 PolarHBondContact NE2-OE2 3.43Å; Q647-V877 WeakPolarHBondContact O-CG1 3.13Å
648	T	79.4	Confident	77.2	Confident	70 Å²	70	44.6 Å²	44.6	43%	0.429	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.5	178.3	63.9	0	0	0	0	113.8	P530 T650	P530-T648 WeakPolarHBondContact CB-OG1 3.46Å; T648-T650 PolarHBondContact O-N 2.79Å
649	D	79.5	Confident	77.5	Confident	63 Å²	63	45 Å²	45	34%	0.337	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	20.9	175.2	73.3	-23.8	0	0	0	112.9	Q647 S651 K666	Q647-D649 WeakPolarHBondContact CB-OD1 3.41Å; Q647-D649 PolarHBondContact O-N 2.98Å; D649-S651 VanDerWaalsContact CG-OG 3.22Å; D649-S651 PolarHBondContact O-N 2.74Å; D649-S651 WeakPolarHBondContact OD1-CB 3.34Å; D649-S651 PolarHBondContact OD1-N 2.73Å; D649-S651 PolarHBondContact OD1-OG 3.3Å; D649-S651 PolarHBondContact OD2-OG 3.05Å; D649-K666 IonicContact OD2-NZ 2.79Å
650	T	82.3	Confident	77.6	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.031	25%	0.246	C	C	.	.	S	Bend	trans	60.1	18.2	-169.1	68.1	0	0	0	0	115.3	T648 T668 V669 I670 V877 F881	T648-T650 PolarHBondContact O-N 2.79Å; T650-T668 CarbonylContact O-C 3.58Å; T650-T668 WeakPolarHBondContact O-CA 3.47Å; T650-V669 WeakPolarHBondContact O-CG2 3.13Å; T650-V669 PolarHBondContact O-N 3.11Å; T650-I670 HydrophobicContact CG2-CB 3.97Å; T650-I670 HydrophobicContact CG2-CG2 3.92Å; T650-I670 WeakPolarHBondContact OG1-CG2 3.5Å; T650-V877 HydrophobicContact CG2-CG1 4.07Å; T650-F881 HydrophobicContact CG2-CB 3.46Å; T650-F881 VanDerWaalsContact CG2-CB 3.46Å; T650-F881 HydrophobicContact CG2-CD1 3.58Å; T650-F881 HydrophobicContact CG2-CD2 3.72Å; T650-F881 HydrophobicContact CG2-CE1 4.18Å; T650-F881 HydrophobicContact CG2-CE2 4.29Å; T650-F881 HydrophobicContact CG2-CG 3.31Å; T650-F881 HydrophobicContact CG2-CZ 4.5Å
651	S	83.3	Confident	76.9	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141	-178.6	83.8	0	0	0	0	114.4	Q647 D649 K666 I667	Q647-S651 PolarHBondContact N-O 3.28Å; Q647-S651 PolarHBondContact OE1-OG 2.93Å; D649-S651 VanDerWaalsContact CG-OG 3.22Å; D649-S651 PolarHBondContact O-N 2.74Å; D649-S651 WeakPolarHBondContact OD1-CB 3.34Å; D649-S651 PolarHBondContact OD1-N 2.73Å; D649-S651 PolarHBondContact OD1-OG 3.3Å; D649-S651 PolarHBondContact OD2-OG 3.05Å; S651-K666 WeakPolarHBondContact OG-CE 3.48Å; S651-K666 PolarHBondContact OG-NZ 3.44Å; S651-I667 WeakPolarHBondContact CA-O 3.48Å
652	F	86.3	Confident	76	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.9	-177.8	-166.5	-160.2	0	0	0	107.7	L538 C644 V645 L646 F654 I667 V669 F845 L847 F859 W870 I874	L538-F652 HydrophobicContact CD1-CZ 3.89Å; C644-F652 HydrophobicContact CB-CE2 3.66Å; C644-F652 HydrophobicContact CB-CZ 4.17Å; V645-F652 WeakPolarHBondContact O-CA 3.3Å; L646-F652 HydrophobicContact CB-CD2 4.08Å; L646-F652 HydrophobicContact CB-CE2 4.44Å; L646-F652 HydrophobicContact CD1-CB 4.09Å; L646-F652 HydrophobicContact CD1-CD2 4.32Å; L646-F652 HydrophobicContact CD1-CG 4.31Å; F652-F654 HydrophobicContact CB-CZ 4.02Å; F652-F654 AromaticContact CD1-CE1 3.63Å; F652-F654 HydrophobicContact CD1-CE1 3.63Å; F652-F654 AromaticContact CD1-CZ 3.48Å; F652-F654 HydrophobicContact CD1-CZ 3.48Å; F652-F654 VanDerWaalsContact CD1-CZ 3.48Å; F652-F654 AromaticContact CD2-CE1 3.78Å; F652-F654 HydrophobicContact CD2-CE1 3.78Å; F652-F654 HydrophobicContact CD2-CZ 4.11Å; F652-F654 AromaticContact CE1-CE1 3.66Å; F652-F654 HydrophobicContact CE1-CE1 3.66Å; F652-F654 AromaticContact CE1-CZ 3.96Å; F652-F654 HydrophobicContact CE1-CZ 3.96Å; F652-F654 AromaticContact CE2-CE1 3.81Å; F652-F654 HydrophobicContact CE2-CE1 3.81Å; F652-F654 AromaticContact CG-CE1 3.69Å; F652-F654 HydrophobicContact CG-CE1 3.69Å; F652-F654 AromaticContact CG-CZ 3.57Å; F652-F654 HydrophobicContact CG-CZ 3.57Å; F652-F654 AromaticContact CZ-CE1 3.76Å; F652-F654 HydrophobicContact CZ-CE1 3.76Å; F652-F654 HydrophobicContact CZ-CZ 4.46Å; F652-F654 VanDerWaalsContact O-CE2 3.22Å; F652-F654 WeakPolarHBondContact O-CE2 3.38Å; F652-F654 WeakPolarHBondContact O-CZ 3.44Å; F652-I667 PolarHBondContact N-O 3.4Å; F652-I667 PolarHBondContact O-N 2.69Å; F652-V669 HydrophobicContact CB-CG1 3.63Å; F652-V669 HydrophobicContact CD1-CG1 4.07Å; F652-V669 HydrophobicContact CG-CG1 4.27Å; F652-F845 HydrophobicContact CE1-CE2 4.49Å; F652-F845 HydrophobicContact CE1-CZ 4.47Å; F652-L847 HydrophobicContact CD1-CD1 3.86Å; F652-L847 HydrophobicContact CE1-CD1 4.06Å; F652-F859 HydrophobicContact CE1-CD2 4.3Å; F652-F859 AromaticContact CE1-CE2 3.97Å; F652-F859 HydrophobicContact CE1-CE2 3.97Å; F652-F859 HydrophobicContact CE1-CZ 4.2Å; F652-W870 HydrophobicContact CD2-CZ3 4.36Å; F652-W870 AromaticContact CE2-CE3 3.98Å; F652-W870 HydrophobicContact CE2-CE3 3.98Å; F652-W870 AromaticContact CE2-CH2 3.95Å; F652-W870 HydrophobicContact CE2-CH2 3.95Å; F652-W870 AromaticContact CE2-CZ3 3.4Å; F652-W870 HydrophobicContact CE2-CZ3 3.4Å; F652-W870 AromaticContact CZ-CE3 4Å; F652-W870 HydrophobicContact CZ-CE3 4Å; F652-W870 AromaticContact CZ-CZ3 3.89Å; F652-W870 HydrophobicContact CZ-CZ3 3.89Å; F652-I874 HydrophobicContact CE1-CD1 4.26Å
653	E	84.8	Confident	75.5	Confident	22 Å²	22	47.2 Å²	47.2	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.9	-172.7	-73.7	-178.8	175.4	0	0	110.8	C644 V645 Q647 Y655 A663 K666	C644-E653 CarbonylContact C-O 3.56Å; C644-E653 WeakPolarHBondContact CA-O 3.47Å; V645-E653 HydrophobicContact CB-CB 4.43Å; V645-E653 PolarHBondContact N-O 2.84Å; V645-E653 PolarHBondContact O-N 2.96Å; Q647-E653 PolarHBondContact NE2-OE1 2.8Å; Q647-E653 PolarHBondContact NE2-OE2 3.43Å; E653-Y655 HydrophobicContact CB-CD2 4.41Å; E653-Y655 HydrophobicContact CB-CE2 3.69Å; E653-Y655 PolarHBondContact OE2-OH 3.1Å; E653-A663 HydrophobicContact CB-CB 3.91Å; E653-A663 HydrophobicContact CG-CB 4.23Å; E653-K666 HydrophobicContact CG-CB 4.08Å; E653-K666 HydrophobicContact CG-CD 3.62Å; E653-K666 HydrophobicContact CG-CG 3.66Å; E653-K666 VanDerWaalsContact OE1-CD 3.29Å; E653-K666 WeakPolarHBondContact OE1-CD 3.19Å; E653-K666 VanDerWaalsContact OE1-CE 3.24Å; E653-K666 WeakPolarHBondContact OE1-CE 3.34Å; E653-K666 IonicContact OE1-NZ 3.78Å; E653-K666 PolarHBondContact OE1-NZ 3.24Å
654	F	83.7	Confident	74.9	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.1	-176.5	-40.6	-76.7	0	0	0	110.8	L642 C644 F652 A663 V664 D665 I667 F859	L642-F654 HydrophobicContact CB-CB 4.44Å; L642-F654 HydrophobicContact CD1-CB 3.72Å; C644-F654 HydrophobicContact CB-CD1 3.98Å; C644-F654 HydrophobicContact CB-CE1 4.33Å; F652-F654 HydrophobicContact CB-CZ 4.02Å; F652-F654 AromaticContact CD1-CE1 3.63Å; F652-F654 HydrophobicContact CD1-CE1 3.63Å; F652-F654 AromaticContact CD1-CZ 3.48Å; F652-F654 HydrophobicContact CD1-CZ 3.48Å; F652-F654 VanDerWaalsContact CD1-CZ 3.48Å; F652-F654 AromaticContact CD2-CE1 3.78Å; F652-F654 HydrophobicContact CD2-CE1 3.78Å; F652-F654 HydrophobicContact CD2-CZ 4.11Å; F652-F654 AromaticContact CE1-CE1 3.66Å; F652-F654 HydrophobicContact CE1-CE1 3.66Å; F652-F654 AromaticContact CE1-CZ 3.96Å; F652-F654 HydrophobicContact CE1-CZ 3.96Å; F652-F654 AromaticContact CE2-CE1 3.81Å; F652-F654 HydrophobicContact CE2-CE1 3.81Å; F652-F654 AromaticContact CG-CE1 3.69Å; F652-F654 HydrophobicContact CG-CE1 3.69Å; F652-F654 AromaticContact CG-CZ 3.57Å; F652-F654 HydrophobicContact CG-CZ 3.57Å; F652-F654 AromaticContact CZ-CE1 3.76Å; F652-F654 HydrophobicContact CZ-CE1 3.76Å; F652-F654 HydrophobicContact CZ-CZ 4.46Å; F652-F654 VanDerWaalsContact O-CE2 3.22Å; F652-F654 WeakPolarHBondContact O-CE2 3.38Å; F652-F654 WeakPolarHBondContact O-CZ 3.44Å; F654-A663 CarbonylContact O-C 3.6Å; F654-A663 VanDerWaalsContact O-CA 3.29Å; F654-A663 WeakPolarHBondContact O-CA 3.5Å; F654-A663 WeakPolarHBondContact O-CB 3.27Å; F654-V664 WeakPolarHBondContact O-CB 3.11Å; F654-V664 PolarHBondContact O-N 3.4Å; F654-D665 HydrophobicContact CD2-CB 4.17Å; F654-D665 WeakPolarHBondContact CD2-O 3.1Å; F654-D665 PolarHBondContact N-O 3.06Å; F654-I667 HydrophobicContact CE2-CB 4.28Å; F654-I667 HydrophobicContact CE2-CD1 3.44Å; F654-I667 VanDerWaalsContact CE2-CD1 3.44Å; F654-I667 HydrophobicContact CE2-CG1 3.75Å; F654-I667 HydrophobicContact CZ-CD1 3.59Å; F654-I667 HydrophobicContact CZ-CG1 4.26Å; F654-F859 AromaticContact CD1-CE1 3.82Å; F654-F859 HydrophobicContact CD1-CE1 3.82Å; F654-F859 HydrophobicContact CD1-CZ 4.04Å; F654-F859 AromaticContact CE1-CE1 3.5Å; F654-F859 HydrophobicContact CE1-CE1 3.5Å; F654-F859 VanDerWaalsContact CE1-CE1 3.5Å; F654-F859 HydrophobicContact CE1-CE2 4.31Å; F654-F859 AromaticContact CE1-CZ 3.32Å; F654-F859 HydrophobicContact CE1-CZ 3.32Å; F654-F859 HydrophobicContact CE2-CZ 4.27Å; F654-F859 HydrophobicContact CZ-CE1 4.12Å; F654-F859 HydrophobicContact CZ-CE2 4.32Å; F654-F859 AromaticContact CZ-CZ 3.48Å; F654-F859 HydrophobicContact CZ-CZ 3.48Å; F654-F859 VanDerWaalsContact CZ-CZ 3.48Å
655	Y	78.7	Confident	74.3	Confident	39 Å²	39	53.6 Å²	53.6	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.4	-176	-65.7	-104.4	0	0	0	109.6	F643 V645 E653 D660 R662 A663	F643-Y655 PolarHBondContact N-O 3.44Å; F643-Y655 PolarHBondContact O-N 3.31Å; V645-Y655 HydrophobicContact CB-CE2 4.18Å; V645-Y655 HydrophobicContact CG2-CD2 3.96Å; V645-Y655 HydrophobicContact CG2-CE2 3.84Å; E653-Y655 HydrophobicContact CB-CD2 4.41Å; E653-Y655 HydrophobicContact CB-CE2 3.69Å; E653-Y655 PolarHBondContact OE2-OH 3.1Å; Y655-D660 HydrophobicContact CD1-CB 3.88Å; Y655-D660 VanDerWaalsContact CD1-O 3.24Å; Y655-D660 WeakPolarHBondContact CD1-O 3.29Å; Y655-D660 WeakPolarHBondContact CE1-O 3.16Å; Y655-R662 WeakPolarHBondContact CD1-O 3.33Å; Y655-A663 HydrophobicContact CD2-CB 4.27Å; Y655-A663 HydrophobicContact CE1-CB 4.32Å; Y655-A663 VanDerWaalsContact CE1-N 3.29Å; Y655-A663 HydrophobicContact CE2-CB 3.99Å
656	A	70.6	Confident	73.8	Confident	63 Å²	63	57.3 Å²	57.3	52%	0.521	33%	0.325	S	S	.	.	S	Bend	trans	-71.5	-38	179.3	0	0	0	0	0	110.9	D660 V664	A656-D660 WeakPolarHBondContact CB-OD2 3.42Å; A656-D660 PolarHBondContact N-OD2 3.47Å; A656-V664 HydrophobicContact CB-CG2 3.86Å
657	A	67.3	Low	73.4	Confident	47 Å²	47	58.2 Å²	58.2	39%	0.388	33%	0.33	S	S	.	.	S	Bend	trans	-130.6	152.4	169.1	0	0	0	0	0	111.3	A659 D660	A657-A659 PolarHBondContact O-N 3.48Å; A657-D660 PolarHBondContact N-OD2 2.85Å; A657-D660 WeakPolarHBondContact O-CB 3.31Å; A657-D660 PolarHBondContact O-N 3.12Å
658	R	60.3	Low	73.4	Confident	192 Å²	192	61 Å²	61	73%	0.725	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.7	178.7	-179	171.6	171.6	174.5	-2.5	114.4	F643	F643-R658 HydrophobicContact CD1-CB 4.25Å; F643-R658 HydrophobicContact CD1-CG 4.26Å; F643-R658 HydrophobicContact CD2-CB 4.24Å; F643-R658 HydrophobicContact CD2-CG 4.29Å; F643-R658 HydrophobicContact CE1-CG 4.04Å; F643-R658 HydrophobicContact CE2-CG 4.08Å; F643-R658 HydrophobicContact CG-CB 4.09Å; F643-R658 HydrophobicContact CG-CG 4.38Å; F643-R658 HydrophobicContact CZ-CG 3.94Å
659	A	56.1	Low	73.5	Confident	96 Å²	96	57.6 Å²	57.6	79%	0.793	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-1	179.1	0	0	0	0	0	114.3	A657 A661	A657-A659 PolarHBondContact O-N 3.48Å; A659-A661 PolarHBondContact O-N 3.24Å
660	D	62.8	Low	73.4	Confident	68 Å²	68	56 Å²	56	36%	0.364	32%	0.319	S	S	.	.			trans	-69	128.6	-176.1	-77.4	-34	0	0	0	112.1	Y655 A656 A657 R662	Y655-D660 HydrophobicContact CD1-CB 3.88Å; Y655-D660 VanDerWaalsContact CD1-O 3.24Å; Y655-D660 WeakPolarHBondContact CD1-O 3.29Å; Y655-D660 WeakPolarHBondContact CE1-O 3.16Å; A656-D660 WeakPolarHBondContact CB-OD2 3.42Å; A656-D660 PolarHBondContact N-OD2 3.47Å; A657-D660 PolarHBondContact N-OD2 2.85Å; A657-D660 WeakPolarHBondContact O-CB 3.31Å; A657-D660 PolarHBondContact O-N 3.12Å; D660-R662 PolarHBondContact O-N 3.18Å; D660-R662 VanDerWaalsContact O-N 3.12Å
661	A	51.8	Low	73	Confident	96 Å²	96	56.8 Å²	56.8	79%	0.793	33%	0.327	S	S	*	.	S	Bend	trans	-75.7	3.7	-179	0	0	0	0	0	114.6	A659	A659-A661 PolarHBondContact O-N 3.24Å
662	R	59.6	Low	72.7	Confident	142 Å²	142	57.6 Å²	57.6	54%	0.536	33%	0.331	S	S	.	.	S	Bend	trans	-151.4	142	176.7	-64.7	-174.5	-174.8	152	8.4	109.6	T452 C455 Y655 D660	T452-R662 PolarHBondContact O-NH2 2.82Å; C455-R662 PolarHBondContact SG-NH1 2.8Å; Y655-R662 WeakPolarHBondContact CD1-O 3.33Å; D660-R662 PolarHBondContact O-N 3.18Å; D660-R662 VanDerWaalsContact O-N 3.12Å
663	A	68.3	Low	72.1	Confident	30 Å²	30	58.4 Å²	58.4	25%	0.248	34%	0.335	C	S	.	.			trans	-63.8	147.3	165.6	0	0	0	0	0	110.9	E653 F654 Y655 D665	E653-A663 HydrophobicContact CB-CB 3.91Å; E653-A663 HydrophobicContact CG-CB 4.23Å; F654-A663 CarbonylContact O-C 3.6Å; F654-A663 VanDerWaalsContact O-CA 3.29Å; F654-A663 WeakPolarHBondContact O-CA 3.5Å; F654-A663 WeakPolarHBondContact O-CB 3.27Å; Y655-A663 HydrophobicContact CD2-CB 4.27Å; Y655-A663 HydrophobicContact CE1-CB 4.32Å; Y655-A663 VanDerWaalsContact CE1-N 3.29Å; Y655-A663 HydrophobicContact CE2-CB 3.99Å; A663-D665 WeakPolarHBondContact CB-O 3.45Å
664	V	73.2	Confident	71.8	Confident	90 Å²	90	57.4 Å²	57.4	55%	0.545	33%	0.33	S	S	.	.	S	Bend	trans	-67	-41.6	167.9	179.9	0	0	0	0	109.9	F654 A656	F654-V664 WeakPolarHBondContact O-CB 3.11Å; F654-V664 PolarHBondContact O-N 3.4Å; A656-V664 HydrophobicContact CB-CG2 3.86Å
665	D	73.1	Confident	71.5	Confident	64 Å²	64	57.5 Å²	57.5	34%	0.342	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.4	178.4	-159	-3.8	0	0	0	110.5	F654 A663 H857	F654-D665 HydrophobicContact CD2-CB 4.17Å; F654-D665 WeakPolarHBondContact CD2-O 3.1Å; F654-D665 PolarHBondContact N-O 3.06Å; A663-D665 WeakPolarHBondContact CB-O 3.45Å; D665-H857 IonicContact OD2-CE1 3.97Å; D665-H857 PolarHBondContact OD2-CE1 2.9Å
666	K	77.6	Confident	71.6	Confident	91 Å²	91	55.9 Å²	55.9	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	120.7	-177.2	179.6	168.8	-168.5	157.3	0	110.8	D649 S651 E653	D649-K666 IonicContact OD2-NZ 2.79Å; S651-K666 WeakPolarHBondContact OG-CE 3.48Å; S651-K666 PolarHBondContact OG-NZ 3.44Å; E653-K666 HydrophobicContact CG-CB 4.08Å; E653-K666 HydrophobicContact CG-CD 3.62Å; E653-K666 HydrophobicContact CG-CG 3.66Å; E653-K666 VanDerWaalsContact OE1-CD 3.29Å; E653-K666 WeakPolarHBondContact OE1-CD 3.19Å; E653-K666 VanDerWaalsContact OE1-CE 3.24Å; E653-K666 WeakPolarHBondContact OE1-CE 3.34Å; E653-K666 IonicContact OE1-NZ 3.78Å; E653-K666 PolarHBondContact OE1-NZ 3.24Å
667	I	79.6	Confident	71.7	Confident	20 Å²	20	53.7 Å²	53.7	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143	177.9	-60.6	162.5	0	0	0	109.5	S651 F652 F654 L672 H857 F859	S651-I667 WeakPolarHBondContact CA-O 3.48Å; F652-I667 PolarHBondContact N-O 3.4Å; F652-I667 PolarHBondContact O-N 2.69Å; F654-I667 HydrophobicContact CE2-CB 4.28Å; F654-I667 HydrophobicContact CE2-CD1 3.44Å; F654-I667 VanDerWaalsContact CE2-CD1 3.44Å; F654-I667 HydrophobicContact CE2-CG1 3.75Å; F654-I667 HydrophobicContact CZ-CD1 3.59Å; F654-I667 HydrophobicContact CZ-CG1 4.26Å; I667-L672 HydrophobicContact CG2-CD1 3.57Å; I667-H857 HydrophobicContact CD1-CB 4.07Å; I667-H857 WeakPolarHBondContact CD1-CD2 3.42Å; I667-H857 VanDerWaalsContact CD1-CG 3.4Å; I667-H857 WeakPolarHBondContact CD1-NE2 3.13Å; I667-F859 HydrophobicContact CD1-CZ 4.43Å
668	T	82.1	Confident	71.6	Confident	79 Å²	79	52.9 Å²	52.9	49%	0.485	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123	163.3	-59.5	0	0	0	0	108.5	T650 I670 L672	T650-T668 CarbonylContact O-C 3.58Å; T650-T668 WeakPolarHBondContact O-CA 3.47Å; T668-I670 HydrophobicContact CG2-CG2 3.74Å; T668-L672 WeakPolarHBondContact O-CD1 3.27Å; T668-L672 WeakPolarHBondContact O-CG 3.42Å
669	V	82	Confident	71.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.274	C	S	.	.			trans	-86.3	-21.1	-173.2	-60.2	0	0	0	0	114.5	L646 T650 F652 L672 L847 I874	L646-V669 HydrophobicContact CD1-CG2 4.23Å; T650-V669 WeakPolarHBondContact O-CG2 3.13Å; T650-V669 PolarHBondContact O-N 3.11Å; F652-V669 HydrophobicContact CB-CG1 3.63Å; F652-V669 HydrophobicContact CD1-CG1 4.07Å; F652-V669 HydrophobicContact CG-CG1 4.27Å; V669-L672 WeakPolarHBondContact O-CB 3.37Å; V669-L672 PolarHBondContact O-N 2.72Å; V669-L847 HydrophobicContact CG1-CD1 4.1Å; V669-I874 HydrophobicContact CB-CG2 4.27Å; V669-I874 HydrophobicContact CG2-CG2 4.22Å
670	I	78.8	Confident	70.7	Confident	30 Å²	30	49 Å²	49	15%	0.154	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	136.7	169.4	-165.1	168.6	0	0	0	109.8	P17 L20 T650 T668 F881 M882	P17-I670 HydrophobicContact CG-CD1 4.1Å; P17-I670 HydrophobicContact CG-CG1 4.16Å; L20-I670 HydrophobicContact CD1-CG1 4.5Å; T650-I670 HydrophobicContact CG2-CB 3.97Å; T650-I670 HydrophobicContact CG2-CG2 3.92Å; T650-I670 WeakPolarHBondContact OG1-CG2 3.5Å; T668-I670 HydrophobicContact CG2-CG2 3.74Å; I670-F881 HydrophobicContact CD1-CD1 4.06Å; I670-F881 HydrophobicContact CD1-CE1 4.39Å; I670-M882 HydrophobicContact CD1-CG 3.82Å; I670-M882 HydrophobicContact CD1-SD 3.65Å
671	G	72.6	Confident	69.1	Low	20 Å²	20	53.6 Å²	53.6	21%	0.206	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	14.7	-168.9	0	0	0	0	0	114.3	L15 L850	L15-G671 PolarHBondContact O-N 3.3Å; G671-L850 WeakPolarHBondContact O-CD1 3.44Å; G671-L850 VanDerWaalsContact O-CG 3.29Å; G671-L850 WeakPolarHBondContact O-CG 3.31Å
672	L	77.4	Confident	67.9	Low	19 Å²	19	55.9 Å²	55.9	10%	0.099	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	164.7	169.8	-54.8	-172.7	0	0	0	111.8	L15 I667 T668 V669 L847 L848 P849	L15-L672 WeakPolarHBondContact CA-O 3.34Å; L15-L672 VanDerWaalsContact CB-O 3.25Å; L15-L672 WeakPolarHBondContact CB-O 3.4Å; L15-L672 PolarHBondContact N-O 3.26Å; I667-L672 HydrophobicContact CG2-CD1 3.57Å; T668-L672 WeakPolarHBondContact O-CD1 3.27Å; T668-L672 WeakPolarHBondContact O-CG 3.42Å; V669-L672 WeakPolarHBondContact O-CB 3.37Å; V669-L672 PolarHBondContact O-N 2.72Å; L672-L847 HydrophobicContact CB-CD2 4.47Å; L672-L847 HydrophobicContact CD1-CB 4.01Å; L672-L847 HydrophobicContact CD1-CD1 4.33Å; L672-L847 HydrophobicContact CD1-CD2 4.23Å; L672-L847 HydrophobicContact CD1-CG 4.43Å; L672-L848 CarbonylContact C-O 3.57Å; L672-L848 WeakPolarHBondContact CA-O 3.41Å; L672-L848 WeakPolarHBondContact CB-O 3.19Å; L672-P849 HydrophobicContact CD2-CB 4.36Å
673	R	72.8	Confident	66.2	Low	18 Å²	18	55.9 Å²	55.9	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.9	167.6	-70.3	173.1	-70.6	163.3	2.1	108.4	L12 D13 F675 H827 L848 P849 L850	L12-R673 HydrophobicContact CD1-CB 3.87Å; L12-R673 HydrophobicContact CD1-CG 4.28Å; D13-R673 WeakPolarHBondContact O-CA 3.47Å; R673-F675 HydrophobicContact CB-CD2 4.22Å; R673-F675 HydrophobicContact CB-CE2 3.56Å; R673-F675 HydrophobicContact CB-CZ 4.35Å; R673-H827 PolarHBondContact NH1-CE1 3.43Å; R673-H827 PolarHBondContact NH1-ND1 2.57Å; R673-H827 VanDerWaalsContact NH1-ND1 3.19Å; R673-L848 HydrophobicContact CB-CB 4.48Å; R673-L848 PolarHBondContact N-O 2.94Å; R673-L848 PolarHBondContact O-N 2.89Å; R673-P849 PolarHBondContact NH2-O 2.67Å; R673-L850 HydrophobicContact CG-CD2 4.21Å
674	L	79.7	Confident	64.2	Low	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.4	-179.7	173	59.2	0	0	0	109.1	L12 D13 L15 F845 L846 L847 I871 I874	L12-L674 WeakPolarHBondContact CA-O 3.26Å; D13-L674 HydrophobicContact CB-CB 4.24Å; D13-L674 PolarHBondContact N-O 2.85Å; D13-L674 PolarHBondContact O-N 3.34Å; L15-L674 HydrophobicContact CD1-CB 4.08Å; L15-L674 HydrophobicContact CG-CB 4.44Å; L674-F845 HydrophobicContact CD1-CB 4.17Å; L674-F845 HydrophobicContact CD1-CD2 3.64Å; L674-F845 HydrophobicContact CD1-CE2 4.49Å; L674-F845 HydrophobicContact CD1-CG 4.3Å; L674-L846 WeakPolarHBondContact CA-O 3.35Å; L674-L847 HydrophobicContact CB-CD2 4.14Å; L674-L847 HydrophobicContact CD1-CD2 3.85Å; L674-L847 HydrophobicContact CD1-CG 4.47Å; L674-I871 HydrophobicContact CD2-CB 4.44Å; L674-I871 HydrophobicContact CD2-CG1 4.35Å; L674-I871 HydrophobicContact CD2-CG2 4.05Å; L674-I874 HydrophobicContact CD2-CG2 4.19Å
675	F	77.8	Confident	61.9	Low	3 Å²	3	67 Å²	67	1%	0.013	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137	-179.5	-65.8	-103.7	0	0	0	111	L12 R673 H827 I831 F845 L846 L848	L12-F675 HydrophobicContact CB-CD1 4.27Å; L12-F675 HydrophobicContact CB-CE1 4.24Å; L12-F675 HydrophobicContact CD1-CD1 4.06Å; L12-F675 HydrophobicContact CD1-CD2 4.04Å; L12-F675 HydrophobicContact CD1-CE1 3.73Å; L12-F675 HydrophobicContact CD1-CE2 3.69Å; L12-F675 HydrophobicContact CD1-CG 4.21Å; L12-F675 HydrophobicContact CD1-CZ 3.54Å; L12-F675 HydrophobicContact CD2-CE1 3.88Å; L12-F675 HydrophobicContact CD2-CZ 4.01Å; L12-F675 HydrophobicContact CG-CE1 4.16Å; L12-F675 HydrophobicContact CG-CZ 4.32Å; R673-F675 HydrophobicContact CB-CD2 4.22Å; R673-F675 HydrophobicContact CB-CE2 3.56Å; R673-F675 HydrophobicContact CB-CZ 4.35Å; F675-H827 HydrophobicContact CE1-CB 4.13Å; F675-H827 HydrophobicContact CZ-CB 4.04Å; F675-I831 HydrophobicContact CD1-CD1 3.98Å; F675-I831 HydrophobicContact CE1-CD1 4.07Å; F675-I831 HydrophobicContact CG-CD1 4.31Å; F675-I831 HydrophobicContact CZ-CD1 4.48Å; F675-F845 WeakPolarHBondContact O-CA 3.37Å; F675-L846 HydrophobicContact CB-CB 4.32Å; F675-L846 PolarHBondContact N-O 3.23Å; F675-L846 PolarHBondContact O-N 2.88Å; F675-L848 HydrophobicContact CD2-CD1 4.02Å; F675-L848 HydrophobicContact CD2-CG 4.18Å; F675-L848 HydrophobicContact CE2-CB 4.21Å; F675-L848 HydrophobicContact CE2-CD1 3.63Å; F675-L848 HydrophobicContact CE2-CG 4.09Å; F675-L848 HydrophobicContact CZ-CD1 4.3Å
676	Y	79.4	Confident	59.7	Low	6 Å²	6	68.2 Å²	68.2	2%	0.024	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.8	170.4	67	-79	0	0	0	111.1	K11 D678 I871 R875	K11-Y676 HydrophobicContact CB-CD1 4.31Å; K11-Y676 HydrophobicContact CB-CE1 3.82Å; K11-Y676 HydrophobicContact CB-CE2 4.31Å; K11-Y676 HydrophobicContact CD-CE2 4.32Å; K11-Y676 WeakPolarHBondContact CD-OH 3.36Å; K11-Y676 PolarHBondContact N-O 2.76Å; K11-Y676 PolarHBondContact O-N 2.93Å; Y676-D678 HydrophobicContact CD2-CB 4.26Å; Y676-D678 HydrophobicContact CE2-CB 3.83Å; Y676-D678 VanDerWaalsContact CE2-CG 3.42Å; Y676-D678 WeakPolarHBondContact CE2-OD1 3.36Å; Y676-I871 HydrophobicContact CD1-CD1 3.74Å; Y676-I871 HydrophobicContact CD1-CG1 4.39Å; Y676-I871 HydrophobicContact CD1-CG2 4.42Å; Y676-I871 HydrophobicContact CD2-CD1 3.7Å; Y676-I871 HydrophobicContact CE1-CD1 4.09Å; Y676-I871 HydrophobicContact CE1-CG2 3.89Å; Y676-I871 HydrophobicContact CE2-CD1 4.02Å; Y676-I871 HydrophobicContact CG-CD1 3.55Å; Y676-R875 PolarHBondContact OH-NH1 3.33Å; Y676-R875 PolarHBondContact OH-NH2 2.82Å
677	L	72.4	Confident	57.3	Low	16 Å²	16	70.6 Å²	70.6	8%	0.084	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.2	170	-67.8	-177	0	0	0	110.1	S9 I10 L839 N842 R867	S9-L677 CarbonylContact O-C 3.57Å; S9-L677 WeakPolarHBondContact O-CA 3.12Å; I10-L677 HydrophobicContact CB-CD2 4.47Å; I10-L677 HydrophobicContact CG1-CD2 3.56Å; L677-L839 HydrophobicContact CD1-CB 4.27Å; L677-L839 WeakPolarHBondContact CD1-O 3.21Å; L677-L839 HydrophobicContact CG-CB 4.28Å; L677-N842 WeakPolarHBondContact CB-OD1 3.16Å; L677-R867 PolarHBondContact O-NH1 3.29Å; L677-R867 PolarHBondContact O-NH2 3.4Å
678	D	65.9	Low	54.9	Low	30 Å²	30	78.6 Å²	78.6	16%	0.16	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	106.8	178.7	-134.8	22.1	0	0	0	111.2	S9 K11 Y676 N680 R867	S9-D678 PolarHBondContact N-O 2.97Å; S9-D678 PolarHBondContact O-N 3.26Å; S9-D678 PolarHBondContact OG-O 2.93Å; K11-D678 HydrophobicContact CD-CB 3.73Å; K11-D678 WeakPolarHBondContact CD-OD2 3.06Å; K11-D678 WeakPolarHBondContact CE-OD2 3.2Å; K11-D678 HydrophobicContact CG-CB 4.19Å; K11-D678 IonicContact NZ-OD2 3.84Å; K11-D678 PolarHBondContact NZ-OD2 3.2Å; Y676-D678 HydrophobicContact CD2-CB 4.26Å; Y676-D678 HydrophobicContact CE2-CB 3.83Å; Y676-D678 VanDerWaalsContact CE2-CG 3.42Å; Y676-D678 WeakPolarHBondContact CE2-OD1 3.36Å; D678-N680 VanDerWaalsContact C-N 3.32Å; D678-N680 PolarHBondContact O-N 3.06Å; D678-R867 IonicContact OD1-NH2 2.73Å; D678-R867 PolarHBondContact OD1-NH2 3.21Å
679	D	53.6	Low	52.2	Low	63 Å²	63	79 Å²	79	34%	0.337	42%	0.419	S	S	.	.			trans	-87.2	71.7	172.4	-69	3.4	0	0	0	109	A8 N842	A8-D679 WeakPolarHBondContact CA-OD1 3.32Å; A8-D679 WeakPolarHBondContact CB-OD1 3.35Å; D679-N842 VanDerWaalsContact CG-ND2 3.29Å; D679-N842 PolarHBondContact OD2-ND2 3.17Å
680	N	43.2	Very low	49.6	Very low	144 Å²	144	86 Å²	86	77%	0.77	46%	0.457	S	S	*	.			trans	178.4	126.3	152.4	-93.2	-35.9	0	0	0	110.3	D678	D678-N680 VanDerWaalsContact C-N 3.32Å; D678-N680 PolarHBondContact O-N 3.06Å
681	F	29.4	Very low	47.3	Very low	165 Å²	165	92.8 Å²	92.8	72%	0.724	49%	0.493	S	S	*	.			trans	-144.9	82.7	169.7	-144.2	-67.1	0	0	0	109.1
682	N	26.4	Very low	45.2	Very low	144 Å²	144	98.7 Å²	98.7	77%	0.77	52%	0.519	S	S	*	.	S	Bend	trans	-171.4	150	156.7	-92.4	-17	0	0	0	108.9
683	D	25.9	Very low	42.7	Very low	141 Å²	141	102.2 Å²	102.2	75%	0.754	55%	0.545	S	S	*	.	S	Bend	trans	43.2	94.6	162	-53.6	-29.6	0	0	0	119.4
684	T	25.2	Very low	40.7	Very low	124 Å²	124	107.6 Å²	107.6	76%	0.761	58%	0.58	S	S	*	*				168	81.9	118	35.8	0	0	0	0	112.5
685	F	25.7	Very low	38.3	Very low	229 Å²	229	115 Å²	115	100%	1.004	62%	0.617	S	S	*	*	S	Bend	trans	-133.6	46.1	157.2	-98.8	-76.1	0	0	0	111.4
686	S	26.8	Very low	36.1	Very low	91 Å²	91	122.3 Å²	122.3	64%	0.636	65%	0.651	S	S	*	*	S	Bend	trans	-129.2	136.2	163.4	54.2	0	0	0	0	108.5
687	N	26.3	Very low	33.6	Very low	141 Å²	141	131 Å²	131	75%	0.754	69%	0.692	S	S	*	*			trans	48.2	106.3	169.8	-53	-24	0	0	0	117.1
688	H	29.3	Very low	31.6	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.866	73%	0.727	S	S	*	*				-172.4	120.1	101.2	-102.6	-74.4	0	0	0	111.3
689	S	26.4	Very low	29.7	Very low	89 Å²	89	140.5 Å²	140.5	62%	0.622	76%	0.757	S	S	*	*			trans	-79.2	156.8	155.9	60	0	0	0	0	109.5
690	D	27.4	Very low	28.5	Very low	147 Å²	147	145 Å²	145	79%	0.786	78%	0.78	S	S	*	*			trans	50.3	110.8	158.6	-43.7	-45.5	0	0	0	118.4
691	D	30.4	Very low	27.7	Very low	171 Å²	171	146 Å²	146	91%	0.914	78%	0.78	S	S	*	*				-159.3	172.8	104.5	-135.8	-31.9	0	0	0	113.3
692	L	27.8	Very low	27.6	Very low	144 Å²	144	144.4 Å²	144.4	75%	0.754	78%	0.784	S	S	*	*			trans	-108.2	130.6	-163.4	-157.6	82.5	0	0	0	113.4
693	S	25.4	Very low	27.5	Very low	93 Å²	93	147.3 Å²	147.3	65%	0.65	79%	0.789	S	S	*	*			trans	49.3	131.2	149.1	64.4	0	0	0	0	121.5
694	T	31	Very low	27.4	Very low	131 Å²	131	145 Å²	145	80%	0.804	79%	0.79	S	S	*	*			trans	-175.2	123.9	134.5	-86.3	0	0	0	0	114.6
695	M	29	Very low	27.4	Very low	156 Å²	156	150.4 Å²	150.4	77%	0.768	80%	0.797	S	S	*	*			trans	67.7	143.9	149.5	-81.2	-173.6	163.4	0	0	126.9
696	Q	31.6	Very low	27.4	Very low	156 Å²	156	144 Å²	144	73%	0.729	78%	0.78	S	S	*	*			trans	79.4	84.5	137.9	-76	167	-17.3	0	0	123
697	Q	26.7	Very low	27.4	Very low	190 Å²	190	149.3 Å²	149.3	89%	0.888	79%	0.792	S	S	*	*				32.2	119.2	119	-64.5	179	-20.3	0	0	120.6
698	S	29.2	Very low	27.5	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	79%	0.794	S	S	*	*				-159.1	113.8	120.4	45.1	0	0	0	0	113.7
699	T	26.2	Very low	27.5	Very low	128 Å²	128	145.3 Å²	145.3	79%	0.785	79%	0.785	S	S	*	*			trans	-7.4	132.7	159.5	52.7	0	0	0	0	120.9
700	L	28.4	Very low	27.6	Very low	158 Å²	158	146.5 Å²	146.5	83%	0.827	79%	0.793	S	S	*	*				-171.3	167.8	100.6	-95.3	168.8	0	0	0	112.6
701	H	26.8	Very low	27.6	Very low	166 Å²	166	143.9 Å²	143.9	77%	0.769	79%	0.786	S	S	*	*			trans	-63.6	157.3	-171.1	-61.2	-94.6	0	0	0	113.7
702	T	27.8	Very low	27.4	Very low	131 Å²	131	146.5 Å²	146.5	80%	0.804	78%	0.783	S	S	*	*			cis	-155.8	153	40.8	-47.2	0	0	0	0	114.3
703	K	23.6	Very low	27.6	Very low	204 Å²	204	145.6 Å²	145.6	89%	0.887	78%	0.784	S	S	*	*			trans	-38.7	124.5	-177.7	-57.9	171.9	178	179.5	0	117.4
704	A	23.4	Very low	27.7	Very low	94 Å²	94	147.5 Å²	147.5	78%	0.777	79%	0.787	S	S	*	*				170.5	99.1	129.9	0	0	0	0	0	113.9
705	R	25.8	Very low	27.6	Very low	236 Å²	236	147.1 Å²	147.1	89%	0.891	78%	0.78	S	S	*	*			trans	177.8	131.9	163.9	-95.1	162.6	-167.7	-156.4	4.4	105.3
706	S	26	Very low	27.6	Very low	94 Å²	94	146.5 Å²	146.5	66%	0.657	78%	0.779	S	S	*	*				68.4	99.3	58.5	81.7	0	0	0	0	115.4
707	F	27.5	Very low	27.3	Very low	203 Å²	203	148.7 Å²	148.7	89%	0.89	79%	0.787	S	S	*	*			trans	-152.2	128.1	147	-82.6	-77.6	0	0	0	104.7
708	D	27	Very low	27.7	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	78%	0.775	S	S	*	*			cis	90.2	167.3	41	-153.1	-2.4	0	0	0	112.7
709	S	29.3	Very low	27.6	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	77%	0.771	S	S	*	*			trans	-109.6	162.8	-134.5	52.8	0	0	0	0	115.9
710	S	28.9	Very low	27.8	Very low	114 Å²	114	147.7 Å²	147.7	80%	0.797	77%	0.774	S	S	*	*			trans	173.6	158.2	150.1	43.1	0	0	0	0	111.4
711	S	28.5	Very low	27.8	Very low	91 Å²	91	146.1 Å²	146.1	64%	0.636	77%	0.771	S	S	*	*			cis	-171.4	171.1	-28.5	59.9	0	0	0	0	110.1
712	R	26.1	Very low	28	Very low	227 Å²	227	143.4 Å²	143.4	86%	0.857	77%	0.771	S	S	*	*			trans	75.5	155.3	172.5	-49.7	168.5	-176.7	-169.6	-3.3	113.5
713	V	31.1	Very low	28	Very low	125 Å²	125	141.3 Å²	141.3	76%	0.758	77%	0.767	S	S	*	*			cis	-138.1	126.9	23.4	170.8	0	0	0	0	112.9
714	N	27.4	Very low	28.4	Very low	133 Å²	133	143 Å²	143	71%	0.711	77%	0.77	S	S	*	*			trans	42.5	137.5	141.8	-61.3	20.6	0	0	0	125.8
715	N	28.8	Very low	28.5	Very low	123 Å²	123	143.3 Å²	143.3	66%	0.658	77%	0.766	S	S	*	*				114.9	126	124.4	-95	44.1	0	0	0	122.9
716	D	29.8	Very low	28.6	Very low	142 Å²	142	137 Å²	137	76%	0.759	76%	0.757	S	S	*	*			trans	83.5	134	145.2	-52.4	-30.5	0	0	0	123.7
717	F	25.4	Very low	28.8	Very low	203 Å²	203	140 Å²	140	89%	0.89	77%	0.765	S	S	*	*			trans	-123.2	-170.1	-171.3	-101	-82.1	0	0	0	108.7
718	P	34.2	Very low	28.9	Very low	98 Å²	98	140.6 Å²	140.6	64%	0.636	76%	0.763	S	S	*	*			cis	-134.3	-178.7	-17.2	24.9	-0.3	0	0	0	115.7
719	E	27.4	Very low	28.9	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.734	77%	0.767	S	S	*	*			trans	52.9	126.2	142.8	-75.9	177.3	-179.1	0	0	123.6
720	N	31	Very low	28.9	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	78%	0.779	S	S	*	*				-156.1	156.7	113	-119.7	-61.7	0	0	0	114.5
721	T	28.1	Very low	28.8	Very low	125 Å²	125	148.3 Å²	148.3	77%	0.767	78%	0.778	S	S	*	*			trans	-82.2	168.4	179.5	60.3	0	0	0	0	112
722	S	30.8	Very low	28.7	Very low	109 Å²	109	151.3 Å²	151.3	76%	0.762	79%	0.787	S	S	*	*			cis	-170.3	164.8	44.1	58.1	0	0	0	0	116.2
723	A	28	Very low	28.9	Very low	88 Å²	88	146 Å²	146	73%	0.727	78%	0.782	S	S	*	*			trans	-8.7	144.4	163.9	0	0	0	0	0	122.5
724	Y	30.9	Very low	28.8	Very low	240 Å²	240	146.2 Å²	146.2	94%	0.941	78%	0.777	S	S	*	*				-141.9	141.9	124.7	-128.7	-86	0	0	0	110.5
725	S	27.4	Very low	28.9	Very low	99 Å²	99	150 Å²	150	69%	0.692	78%	0.783	S	S	*	*			trans	-105.9	165.1	-163.8	69.3	0	0	0	0	115.8
726	S	27.9	Very low	28.9	Very low	103 Å²	103	155 Å²	155	72%	0.72	79%	0.793	S	S	*	*			trans	-37.5	144.6	172.3	56	0	0	0	0	117.8
727	L	30.1	Very low	28.8	Very low	157 Å²	157	154.9 Å²	154.9	82%	0.822	79%	0.792	S	S	*	*			trans	-135.2	111	145.9	-73.6	180	0	0	0	113
728	Y	28.9	Very low	28.9	Very low	217 Å²	217	155.5 Å²	155.5	85%	0.851	80%	0.795	S	S	*	*			trans	67.6	132.4	146.2	-76.1	-89.7	0	0	0	124.5
729	R	25.9	Very low	28.6	Very low	231 Å²	231	160.4 Å²	160.4	87%	0.872	81%	0.806	S	S	*	*			trans	-85.2	142.7	164	-49.5	170.8	-177	172.6	-0.3	110.6
730	K	29.7	Very low	28.8	Very low	215 Å²	215	156.9 Å²	156.9	94%	0.935	80%	0.797	S	S	*	*				162	140.4	125.6	-89.9	172	-180	-179.6	0	108.9
731	G	26.5	Very low	28.9	Very low	75 Å²	75	155.1 Å²	155.1	77%	0.773	79%	0.794	S	S	*	*			trans	-117.4	-177.8	-177.8	0	0	0	0	0	113.1
732	N	27.3	Very low	29.1	Very low	153 Å²	153	155.1 Å²	155.1	82%	0.818	80%	0.796	S	S	*	*			trans	-153.4	146.9	161.2	-132.4	-4.2	0	0	0	110.4
733	P	30.7	Very low	29	Very low	115 Å²	115	158.2 Å²	158.2	75%	0.747	79%	0.791	S	S	*	*			trans	-101.8	120.1	-171.9	35.3	-28.2	0	0	0	112.9
734	I	27.7	Very low	29.2	Very low	130 Å²	130	161.7 Å²	161.7	67%	0.667	80%	0.797	S	S	*	*			trans	-138.5	152.2	172.9	-35.2	-179.8	0	0	0	110.6
735	Y	30.7	Very low	29.2	Very low	214 Å²	214	161 Å²	161	84%	0.839	79%	0.793	S	S	*	*			trans	77.3	79.7	173.7	-55.8	-67	0	0	0	118.1
736	R	27.8	Very low	29.3	Very low	226 Å²	226	163.6 Å²	163.6	85%	0.853	80%	0.799	S	S	*	*			trans	-59.7	160.2	145.6	-76.8	176.4	165.9	161.9	-5.4	111.2
737	N	28.2	Very low	29.3	Very low	140 Å²	140	165.6 Å²	165.6	75%	0.749	80%	0.8	S	S	*	*			trans	63	93.4	153.9	-59.4	-10.4	0	0	0	119.3
738	F	28.5	Very low	29.4	Very low	217 Å²	217	167.2 Å²	167.2	95%	0.952	80%	0.801	S	S	*	*			trans	-145.5	141.1	137.3	-93.5	-72.6	0	0	0	111.2
739	K	27.6	Very low	29.3	Very low	200 Å²	200	164.3 Å²	164.3	87%	0.87	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.5	137.9	172.8	-80.1	177.3	175	173.1	0	109.8
740	P	32.3	Very low	29.6	Very low	84 Å²	84	164 Å²	164	55%	0.545	80%	0.799	S	S	.	*	P	Polyproline II helix	trans	-74.6	146.7	166.1	31.2	-33.3	0	0	0	111.3
741	P	33.1	Very low	29.4	Very low	119 Å²	119	162.2 Å²	162.2	77%	0.773	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70.8	167	179.2	29.4	-35.4	0	0	0	113.3
742	P	30.9	Very low	29.5	Very low	125 Å²	125	169 Å²	169	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.3	163	-179.7	28.8	-35.9	0	0	0	113.6
743	R	29	Very low	29.5	Very low	175 Å²	175	166.2 Å²	166.2	66%	0.66	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-77.8	126.6	167.5	-68.6	171.9	169.8	168.5	-6.7	108.9
744	D	33	Very low	29.6	Very low	160 Å²	160	165.7 Å²	165.7	86%	0.856	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93.2	165.4	168.1	-134	-40.5	0	0	0	113
745	R	31	Very low	29.8	Very low	227 Å²	227	168.3 Å²	168.3	86%	0.857	80%	0.801	S	S	*	*			trans	-104.2	174.1	-177.4	-76.2	175.3	164.2	173.9	-5.3	111.4
746	N	28.8	Very low	30	Very low	153 Å²	153	163.7 Å²	163.7	82%	0.818	80%	0.795	S	S	*	*			trans	-49.6	137.1	173	-38.4	-18.8	0	0	0	111.8
747	I	28.1	Very low	30.1	Very low	144 Å²	144	157.2 Å²	157.2	74%	0.738	78%	0.784	S	S	*	*			trans	-170.3	121	134.9	-94.2	145.6	0	0	0	107.3
748	F	31.5	Very low	30.3	Very low	191 Å²	191	155.5 Å²	155.5	84%	0.838	78%	0.783	S	S	*	*				173.1	92.2	128	-99.9	-63	0	0	0	110.7
749	D	27.9	Very low	30.5	Very low	156 Å²	156	153 Å²	153	83%	0.834	78%	0.779	S	S	*	*			trans	-78.7	136.9	151.7	-84.5	-62.6	0	0	0	109
750	R	30.9	Very low	30.8	Very low	225 Å²	225	148 Å²	148	85%	0.849	77%	0.77	S	S	*	*			trans	-167.1	111.2	141.3	-111.4	167.6	-168.4	-151	1.8	113.5
751	K	27.1	Very low	30.7	Very low	178 Å²	178	150.3 Å²	150.3	77%	0.774	78%	0.777	S	S	*	*			trans	34.8	125.9	139.6	-59.9	-172.1	174.3	-166	0	119.6
752	F	28.7	Very low	30.7	Very low	217 Å²	217	151 Å²	151	95%	0.952	78%	0.779	S	S	*	*				-133.5	152.2	112.6	-113.1	-85.8	0	0	0	109.2
753	S	27.2	Very low	30.7	Very low	95 Å²	95	150.1 Å²	150.1	66%	0.664	77%	0.771	S	S	*	*			trans	-162	131.3	-168.6	55.1	0	0	0	0	113.7
754	S	32.8	Very low	30.9	Very low	104 Å²	104	146.8 Å²	146.8	73%	0.727	78%	0.775	S	S	*	*			trans	-161.3	113.8	166.8	51.3	0	0	0	0	106.2
755	E	31	Very low	30.6	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.864	77%	0.773	S	S	*	*				78.8	132.5	86.2	-77.9	174.4	-162.1	0	0	112.3
756	T	33.9	Very low	30.5	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	76%	0.76	S	S	*	*			cis	-144.9	170.7	12.8	55.9	0	0	0	0	114.8
757	S	31.6	Very low	30.5	Very low	90 Å²	90	141.6 Å²	141.6	63%	0.629	76%	0.761	S	S	*	*			trans	50.9	107.8	139.9	62.6	0	0	0	0	121.1
758	S	31.1	Very low	30.5	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	75%	0.754	S	S	*	*				75.3	146.9	85.5	71.7	0	0	0	0	115.8
759	L	32.5	Very low	30.3	Very low	164 Å²	164	140.3 Å²	140.3	86%	0.859	76%	0.756	S	S	*	*			cis	-132.8	179.4	22.7	-84.9	92.7	0	0	0	114.3
760	S	33.8	Very low	30.5	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	76%	0.756	S	S	*	*			trans	-86.7	-169.5	166.5	66.6	0	0	0	0	112.1
761	D	31.2	Very low	30.3	Very low	131 Å²	131	139 Å²	139	70%	0.701	76%	0.755	S	S	*	*			cis	-141.1	-148.6	8.4	-128.6	-72.1	0	0	0	109.1
762	V	33.1	Very low	30.5	Very low	133 Å²	133	135.3 Å²	135.3	81%	0.806	75%	0.749	S	S	*	*			cis	-144.9	173.9	12.6	-159.5	0	0	0	0	109.5
763	T	31.2	Very low	30.6	Very low	107 Å²	107	130.2 Å²	130.2	66%	0.656	74%	0.74	S	S	*	*			trans	-93.9	161	176.2	58.9	0	0	0	0	114.1
764	S	32.4	Very low	30.6	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	74%	0.744	S	S	*	*				177.4	141.6	93.8	35.4	0	0	0	0	109.2
765	L	27.5	Very low	30.5	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	75%	0.753	S	S	*	*				63.6	135.7	65.5	-63.3	170.6	0	0	0	114.8
766	S	28.3	Very low	30.2	Very low	82 Å²	82	130.5 Å²	130.5	57%	0.573	75%	0.745	S	S	*	*			cis	-174.7	164.5	-17.8	66.7	0	0	0	0	111.5
767	K	29	Very low	30.1	Very low	194 Å²	194	131 Å²	131	84%	0.843	75%	0.748	S	S	*	*			trans	70.2	158.2	157.2	-69.7	170.9	-175.3	174.4	0	117.2
768	S	28.1	Very low	29.9	Very low	86 Å²	86	133.8 Å²	133.8	60%	0.601	76%	0.755	S	S	*	*			cis	-171.6	168	-10.1	43.3	0	0	0	0	112.6
769	Y	28	Very low	29.8	Very low	222 Å²	222	137.7 Å²	137.7	87%	0.871	76%	0.761	S	S	*	*			trans	70	156.3	171	-62.2	-78.3	0	0	0	115.9
770	I	31	Very low	29.6	Very low	163 Å²	163	135.2 Å²	135.2	84%	0.836	76%	0.755	S	S	*	*			cis	-129.6	164.3	10.2	-66.8	173.3	0	0	0	111.3
771	K	25.9	Very low	29.4	Very low	189 Å²	189	138.3 Å²	138.3	82%	0.822	76%	0.764	S	S	*	*			trans	-141.3	169.6	167.3	-130.1	-166.6	175.3	-176.5	0	107.1
772	P	32.6	Very low	29.2	Very low	102 Å²	102	136.2 Å²	136.2	66%	0.662	76%	0.76	S	S	*	*			cis	-143.6	-146.6	7.7	44.8	-22.5	0	0	0	114.4
773	S	30.7	Very low	28.9	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	76%	0.758	S	S	*	*			trans	76	155.3	160	74	0	0	0	0	118.8
774	S	27.1	Very low	28.8	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	77%	0.766	S	S	*	*			cis	-176.5	138.5	-38.6	52.3	0	0	0	0	110
775	M	30.4	Very low	28.5	Very low	186 Å²	186	140.9 Å²	140.9	92%	0.916	77%	0.767	S	S	*	*			trans	-166	166.6	148.8	-109.8	-163.6	85	0	0	111.8
776	S	25.4	Very low	28.6	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	77%	0.77	S	S	*	*			trans	-158.9	131.2	-166.1	55.1	0	0	0	0	114.3
777	T	30.3	Very low	28.5	Very low	128 Å²	128	144.6 Å²	144.6	79%	0.785	77%	0.77	S	S	*	*			trans	-155.8	124.8	159.6	26.2	0	0	0	0	105.2
778	L	27.5	Very low	28.3	Very low	148 Å²	148	141.8 Å²	141.8	78%	0.775	77%	0.769	S	S	*	*			cis	59.3	108.9	45.1	-69.2	173.8	0	0	0	113.8
779	E	28.9	Very low	28.4	Very low	185 Å²	185	147.3 Å²	147.3	86%	0.864	79%	0.785	S	S	*	*			trans	-166.9	111	147.5	-93.5	-72.8	104.5	0	0	106
780	P	29	Very low	28.2	Very low	112 Å²	112	142 Å²	142	73%	0.727	78%	0.78	S	S	*	*			trans	-120.8	113.1	171.3	34.3	-20.3	0	0	0	111.3
781	D	30.8	Very low	28.1	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	79%	0.785	S	S	*	*			trans	-101.5	152.8	-179.2	-148.2	-9.5	0	0	0	112.9
782	S	25.3	Very low	27.9	Very low	87 Å²	87	143.5 Å²	143.5	61%	0.608	79%	0.79	S	S	*	*			trans	-158.5	162.8	-162.9	66.6	0	0	0	0	115.5
783	L	27.5	Very low	27.7	Very low	148 Å²	148	145.6 Å²	145.6	78%	0.775	79%	0.791	S	S	*	*			trans	71.8	120.9	169.3	-50.5	172.4	0	0	0	117.4
784	L	29.4	Very low	27.7	Very low	157 Å²	157	150.4 Å²	150.4	82%	0.822	79%	0.792	S	S	*	*				162	104.2	118.3	-86.8	142.4	0	0	0	108.8
785	N	26.4	Very low	27.6	Very low	140 Å²	140	150 Å²	150	75%	0.749	79%	0.79	S	S	*	*				47.2	106.5	89.4	-81.6	-33.6	0	0	0	115.2
786	R	28.7	Very low	27.6	Very low	234 Å²	234	147.2 Å²	147.2	88%	0.883	79%	0.788	S	S	*	*				-174.1	130.2	103.9	-111.8	-173.3	176.9	-157.3	-1.1	117.8
787	S	27.3	Very low	27.6	Very low	81 Å²	81	151.8 Å²	151.8	57%	0.566	80%	0.796	S	S	*	*			trans	44.7	110.3	132.5	67.5	0	0	0	0	122.7
788	T	24.8	Very low	27.6	Very low	134 Å²	134	155 Å²	155	82%	0.822	80%	0.802	S	S	*	*				48.4	125.9	125	62.4	0	0	0	0	121.7
789	Q	29.9	Very low	27.5	Very low	203 Å²	203	153.5 Å²	153.5	95%	0.949	80%	0.795	S	S	*	*			trans	-152.6	157.2	131.4	-119.9	173	8.2	0	0	111.8
790	S	24.2	Very low	27.6	Very low	109 Å²	109	152.5 Å²	152.5	76%	0.762	79%	0.789	S	S	*	*			trans	-126.5	139.2	-178	61	0	0	0	0	111
791	C	27.3	Very low	27.7	Very low	138 Å²	138	156.4 Å²	156.4	93%	0.932	80%	0.795	S	S	*	*			trans	-122.4	141.3	167.9	-73	0	0	0	0	111.1
792	R	23.2	Very low	27.4	Very low	246 Å²	246	156 Å²	156	93%	0.928	79%	0.793	S	S	*	*			trans	-115.8	143.7	169.9	-76.8	173.6	162.9	174.1	-6.1	107.9
793	E	28.7	Very low	27.7	Very low	146 Å²	146	157.7 Å²	157.7	68%	0.682	81%	0.805	S	S	*	*			trans	-159.4	124.1	147.8	-110.6	169.7	176.5	0	0	108.7
794	R	29.2	Very low	27.6	Very low	211 Å²	211	157.3 Å²	157.3	80%	0.796	80%	0.803	S	S	*	*				72.1	146	97	-79.7	-167.1	-120.6	-154.4	7	114.9
795	S	25.5	Very low	27.5	Very low	99 Å²	99	155.6 Å²	155.6	69%	0.692	80%	0.803	S	S	*	*			cis	175.3	126	-34.9	45.9	0	0	0	0	110.3
796	S	29.7	Very low	27.4	Very low	126 Å²	126	155 Å²	155	88%	0.881	80%	0.799	S	S	*	*			trans	-169.4	159.7	155.2	50	0	0	0	0	112.2
797	K	25.9	Very low	27.4	Very low	193 Å²	193	153.3 Å²	153.3	84%	0.839	80%	0.799	S	S	*	*			trans	-131.5	157	171.9	-66.8	178.8	175.1	-177.8	0	108.1
798	E	29.5	Very low	27.3	Very low	196 Å²	196	154.4 Å²	154.4	92%	0.916	81%	0.807	S	S	*	*			trans	-158.2	163.8	143.2	-120.8	164	-152.9	0	0	112
799	N	27	Very low	27.5	Very low	117 Å²	117	151.6 Å²	151.6	63%	0.626	80%	0.804	S	S	*	*			trans	-133.2	169.6	-159.4	-75.3	-2.2	0	0	0	114
800	H	29.9	Very low	27.5	Very low	163 Å²	163	149.4 Å²	149.4	76%	0.755	80%	0.799	S	S	*	*			trans	75.4	146.4	158.5	-52	-60.5	0	0	0	116.3
801	K	30.9	Very low	27.6	Very low	195 Å²	195	152.5 Å²	152.5	85%	0.848	80%	0.801	S	S	*	*			cis	-148.1	165.7	32.4	-110.5	117.8	177.1	-174.5	0	113.2
802	N	26.3	Very low	27.8	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	80%	0.797	S	S	*	*			trans	-94.7	162	167.5	-62.8	-3.3	0	0	0	112
803	S	30.2	Very low	28.1	Very low	123 Å²	123	146.4 Å²	146.4	86%	0.86	79%	0.787	S	S	*	*			trans	-144.6	145.3	149.1	56	0	0	0	0	111.1
804	L	25.6	Very low	28	Very low	140 Å²	140	146.6 Å²	146.6	73%	0.733	79%	0.793	S	S	*	*			trans	-112.5	145.7	-175.9	-94.4	69.5	0	0	0	111.5
805	C	27.2	Very low	28	Very low	122 Å²	122	144.2 Å²	144.2	82%	0.824	80%	0.796	S	S	*	*			trans	-176.7	156.9	134.8	51.9	0	0	0	0	110
806	N	24.9	Very low	28.3	Very low	126 Å²	126	145.5 Å²	145.5	67%	0.674	80%	0.795	S	S	*	*			cis	170.6	170.5	-39.1	-110.4	14.9	0	0	0	106.2
807	F	27.6	Very low	28.4	Very low	199 Å²	199	143.3 Å²	143.3	87%	0.873	79%	0.793	S	S	*	*			trans	77.6	140.4	179.1	-56.4	-81.8	0	0	0	116.8
808	S	26.3	Very low	28.9	Very low	105 Å²	105	140.7 Å²	140.7	73%	0.734	79%	0.787	S	S	*	*			cis	178.8	142.9	-38.6	42.6	0	0	0	0	110.5
809	G	28.3	Very low	29.8	Very low	75 Å²	75	132.9 Å²	132.9	77%	0.773	75%	0.752	S	S	*	*			trans	94.8	148.7	170	0	0	0	0	0	114.3
810	D	29.4	Very low	30.5	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	74%	0.743	S	S	*	*			cis	-151.3	177.7	-4.9	-144.2	-22.3	0	0	0	112
811	Q	27.4	Very low	31.4	Very low	173 Å²	173	127.9 Å²	127.9	81%	0.808	73%	0.734	S	S	*	*			trans	-89.5	142.4	-163.3	-55.2	167.9	7.7	0	0	115.3
812	S	30.8	Very low	32.2	Very low	121 Å²	121	123.9 Å²	123.9	85%	0.846	72%	0.722	S	S	*	*			trans	-167.3	142.7	136.3	54.8	0	0	0	0	114.3
813	N	29.3	Very low	33.5	Very low	135 Å²	135	120.1 Å²	120.1	72%	0.722	70%	0.699	S	S	*	*			trans	-71.6	153.5	-168.2	-58.1	-0.9	0	0	0	116.5
814	D	26.7	Very low	34.5	Very low	151 Å²	151	115.4 Å²	115.4	81%	0.807	66%	0.664	S	S	*	*				39.1	111.1	130	-42.8	-24.6	0	0	0	120.5
815	D	29.4	Very low	36	Very low	160 Å²	160	110.2 Å²	110.2	86%	0.856	64%	0.637	S	S	*	*				-151.1	114.3	129	-152.8	7.1	0	0	0	108.9
816	D	31.8	Very low	37.6	Very low	126 Å²	126	110.9 Å²	110.9	67%	0.674	63%	0.626	S	S	*	*			trans	-92.5	141.5	178.3	-110.2	-23	0	0	0	109.7	I818	D816-I818 HydrophobicContact CB-CD1 4.43Å; D816-I818 HydrophobicContact CB-CG1 4.28Å; D816-I818 PolarHBondContact O-N 3.1Å
817	G	32.6	Very low	39.1	Very low	81 Å²	81	107.3 Å²	107.3	84%	0.835	61%	0.605	S	S	*	*			trans	-71.2	54.3	-172.1	0	0	0	0	0	115.5	V819	G817-V819 PolarHBondContact O-N 3.27Å
818	I	36.8	Very low	40.7	Very low	138 Å²	138	98.2 Å²	98.2	71%	0.708	57%	0.566	S	S	*	*			trans	-79.4	106.5	-176.3	-59.9	173.2	0	0	0	109.6	D816 T820	D816-I818 HydrophobicContact CB-CD1 4.43Å; D816-I818 HydrophobicContact CB-CG1 4.28Å; D816-I818 PolarHBondContact O-N 3.1Å; I818-T820 PolarHBondContact O-N 2.82Å
819	V	46.6	Very low	42.3	Very low	31 Å²	31	98.7 Å²	98.7	19%	0.188	56%	0.556	C	S	.	*			trans	-51.7	124.1	169.1	179.6	0	0	0	0	109.1	I14 G817 E823 I824	I14-V819 HydrophobicContact CD1-CG2 3.81Å; G817-V819 PolarHBondContact O-N 3.27Å; V819-E823 HydrophobicContact CG1-CB 3.68Å; V819-I824 HydrophobicContact CG1-CG1 4.08Å
820	T	43.5	Very low	43.8	Very low	69 Å²	69	98.2 Å²	98.2	42%	0.423	54%	0.539	S	S	.	.			trans	-68.2	150.9	-170.6	67.9	0	0	0	0	111.4	I818 N822 E823 I824	I818-T820 PolarHBondContact O-N 2.82Å; T820-N822 PolarHBondContact O-N 3.22Å; T820-E823 WeakPolarHBondContact CB-OE2 3.35Å; T820-E823 WeakPolarHBondContact CG2-OE2 3.25Å; T820-E823 PolarHBondContact N-OE2 2.64Å; T820-E823 WeakPolarHBondContact O-CA 3.37Å; T820-E823 WeakPolarHBondContact O-CB 3.48Å; T820-E823 PolarHBondContact O-N 2.95Å; T820-E823 WeakPolarHBondContact OG1-CG 3.35Å; T820-E823 PolarHBondContact OG1-N 2.88Å; T820-E823 PolarHBondContact OG1-OE2 3.43Å; T820-I824 PolarHBondContact O-N 2.71Å
821	N	47.6	Very low	45.2	Very low	106 Å²	106	91.1 Å²	91.1	57%	0.567	50%	0.501	S	S	*	.	H	α-helix	trans	-53.9	-29	175.9	-77.3	-33.1	0	0	0	112.9	L825	N821-L825 WeakPolarHBondContact O-CB 3.39Å; N821-L825 VanDerWaalsContact O-CG 3.27Å; N821-L825 WeakPolarHBondContact O-CG 3.32Å; N821-L825 PolarHBondContact O-N 2.94Å
822	N	47.9	Very low	46.7	Very low	112 Å²	112	84 Å²	84	60%	0.599	47%	0.47	S	S	*	.	H	α-helix	trans	-70.4	-30.8	175	-70.7	-33.7	0	0	0	113.3	T820 K826	T820-N822 PolarHBondContact O-N 3.22Å; N822-K826 VanDerWaalsContact O-CG 3.28Å; N822-K826 WeakPolarHBondContact O-CG 3.4Å; N822-K826 PolarHBondContact O-N 3.18Å; N822-K826 VanDerWaalsContact O-N 3.17Å
823	E	53.7	Low	48.2	Very low	73 Å²	73	81 Å²	81	34%	0.341	45%	0.447	S	S	.	.	H	α-helix	trans	-80.5	-37.6	175.2	-70	160.2	132.9	0	0	111.4	V819 T820 L825 K826 H827	V819-E823 HydrophobicContact CG1-CB 3.68Å; T820-E823 WeakPolarHBondContact CB-OE2 3.35Å; T820-E823 WeakPolarHBondContact CG2-OE2 3.25Å; T820-E823 PolarHBondContact N-OE2 2.64Å; T820-E823 WeakPolarHBondContact O-CA 3.37Å; T820-E823 WeakPolarHBondContact O-CB 3.48Å; T820-E823 PolarHBondContact O-N 2.95Å; T820-E823 WeakPolarHBondContact OG1-CG 3.35Å; T820-E823 PolarHBondContact OG1-N 2.88Å; T820-E823 PolarHBondContact OG1-OE2 3.43Å; E823-L825 VanDerWaalsContact C-N 3.34Å; E823-L825 PolarHBondContact O-N 2.82Å; E823-K826 PolarHBondContact O-N 3.39Å; E823-H827 WeakPolarHBondContact O-CB 3.38Å; E823-H827 PolarHBondContact O-CD2 3.44Å; E823-H827 PolarHBondContact O-N 3.49Å
824	I	52.2	Low	49.8	Very low	23 Å²	23	80.3 Å²	80.3	12%	0.118	44%	0.44	C	S	.	.	H	α-helix	trans	-56.7	-49.6	168.8	-60.2	175.8	0	0	0	109.6	I10 V819 T820 H827 V828	I10-I824 HydrophobicContact CG2-CG2 4.33Å; V819-I824 HydrophobicContact CG1-CG1 4.08Å; T820-I824 PolarHBondContact O-N 2.71Å; I824-H827 PolarHBondContact O-N 2.97Å; I824-H827 VanDerWaalsContact O-N 3.12Å; I824-V828 HydrophobicContact CG2-CG2 4.2Å; I824-V828 WeakPolarHBondContact O-CG2 3.4Å; I824-V828 PolarHBondContact O-N 3.07Å
825	L	56	Low	51.4	Low	32 Å²	32	73.3 Å²	73.3	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-57.2	-51.5	177.1	-79	166.4	0	0	0	112.6	L576 L581 N821 E823 H827 V828 E829	L576-L825 HydrophobicContact CD1-CD2 4.41Å; L576-L825 HydrophobicContact CD2-CD2 3.93Å; L581-L825 HydrophobicContact CB-CD2 4.35Å; L581-L825 HydrophobicContact CD1-CD2 4.03Å; N821-L825 WeakPolarHBondContact O-CB 3.39Å; N821-L825 VanDerWaalsContact O-CG 3.27Å; N821-L825 WeakPolarHBondContact O-CG 3.32Å; N821-L825 PolarHBondContact O-N 2.94Å; E823-L825 VanDerWaalsContact C-N 3.34Å; E823-L825 PolarHBondContact O-N 2.82Å; L825-H827 PolarHBondContact O-N 3.06Å; L825-H827 VanDerWaalsContact O-N 3.13Å; L825-V828 PolarHBondContact O-N 3.48Å; L825-V828 VanDerWaalsContact O-N 3.15Å; L825-E829 WeakPolarHBondContact O-CG 3.36Å; L825-E829 PolarHBondContact O-N 3.04Å
826	K	61.2	Low	53	Low	135 Å²	135	66.9 Å²	66.9	59%	0.587	37%	0.368	S	S	*	.	H	α-helix	trans	-54.9	-31.3	175.7	-76.3	169.7	-176.8	172.9	0	113.2	N822 E823	N822-K826 VanDerWaalsContact O-CG 3.28Å; N822-K826 WeakPolarHBondContact O-CG 3.4Å; N822-K826 PolarHBondContact O-N 3.18Å; N822-K826 VanDerWaalsContact O-N 3.17Å; E823-K826 PolarHBondContact O-N 3.39Å
827	H	56.4	Low	54.7	Low	51 Å²	51	62.5 Å²	62.5	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-84.2	-38.2	178.3	-72.7	-25.6	0	0	0	112.9	L12 R673 F675 E823 I824 L825 E829 T830	L12-H827 HydrophobicContact CD2-CB 4.23Å; R673-H827 PolarHBondContact NH1-CE1 3.43Å; R673-H827 PolarHBondContact NH1-ND1 2.57Å; R673-H827 VanDerWaalsContact NH1-ND1 3.19Å; F675-H827 HydrophobicContact CE1-CB 4.13Å; F675-H827 HydrophobicContact CZ-CB 4.04Å; E823-H827 WeakPolarHBondContact O-CB 3.38Å; E823-H827 PolarHBondContact O-CD2 3.44Å; E823-H827 PolarHBondContact O-N 3.49Å; I824-H827 PolarHBondContact O-N 2.97Å; I824-H827 VanDerWaalsContact O-N 3.12Å; L825-H827 PolarHBondContact O-N 3.06Å; L825-H827 VanDerWaalsContact O-N 3.13Å; H827-E829 VanDerWaalsContact C-N 3.26Å; H827-E829 PolarHBondContact O-N 3.49Å; H827-T830 PolarHBondContact O-N 2.86Å; H827-T830 VanDerWaalsContact O-N 3.09Å; H827-T830 PolarHBondContact O-OG1 2.83Å
828	V	60.6	Low	56.3	Low	9 Å²	9	61 Å²	61	6%	0.055	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-35.4	172.8	172.5	0	0	0	0	111.2	I10 L576 I824 L825 T830 I831 L836	I10-V828 HydrophobicContact CD1-CG1 4.44Å; I10-V828 HydrophobicContact CD1-CG2 3.59Å; I10-V828 HydrophobicContact CG2-CG2 4.44Å; L576-V828 HydrophobicContact CD2-CG1 4.14Å; I824-V828 HydrophobicContact CG2-CG2 4.2Å; I824-V828 WeakPolarHBondContact O-CG2 3.4Å; I824-V828 PolarHBondContact O-N 3.07Å; L825-V828 PolarHBondContact O-N 3.48Å; L825-V828 VanDerWaalsContact O-N 3.15Å; V828-T830 PolarHBondContact O-N 3.06Å; V828-T830 VanDerWaalsContact O-N 3.15Å; V828-I831 PolarHBondContact O-N 3.04Å; V828-L836 HydrophobicContact CG1-CD1 4.14Å; V828-L836 HydrophobicContact CG1-CD2 4.36Å
829	E	59.6	Low	57.8	Low	114 Å²	114	54.8 Å²	54.8	53%	0.533	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.6	173.8	-76.1	-175.8	156.8	0	0	114.6	R572 L825 H827	R572-E829 PolarHBondContact NH2-O 3.29Å; L825-E829 WeakPolarHBondContact O-CG 3.36Å; L825-E829 PolarHBondContact O-N 3.04Å; H827-E829 VanDerWaalsContact C-N 3.26Å; H827-E829 PolarHBondContact O-N 3.49Å
830	T	60.2	Low	58.8	Low	66 Å²	66	59.5 Å²	59.5	41%	0.405	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.6	175.4	67.9	0	0	0	0	114	H827 V828	H827-T830 PolarHBondContact O-N 2.86Å; H827-T830 VanDerWaalsContact O-N 3.09Å; H827-T830 PolarHBondContact O-OG1 2.83Å; V828-T830 PolarHBondContact O-N 3.06Å; V828-T830 VanDerWaalsContact O-N 3.15Å
831	I	59.2	Low	60.1	Low	8 Å²	8	59 Å²	59	4%	0.041	30%	0.302	C	S	.	.	S	Bend	trans	-91.4	139	180	-53.1	-179.5	0	0	0	108.9	F675 V828 I835 L836 L846 L848	F675-I831 HydrophobicContact CD1-CD1 3.98Å; F675-I831 HydrophobicContact CE1-CD1 4.07Å; F675-I831 HydrophobicContact CG-CD1 4.31Å; F675-I831 HydrophobicContact CZ-CD1 4.48Å; V828-I831 PolarHBondContact O-N 3.04Å; I831-I835 HydrophobicContact CG2-CB 3.75Å; I831-I835 HydrophobicContact CG2-CG2 3.61Å; I831-L836 HydrophobicContact CB-CD2 4.11Å; I831-L836 HydrophobicContact CB-CG 4.19Å; I831-L836 HydrophobicContact CD1-CD2 4.34Å; I831-L836 HydrophobicContact CG2-CD2 3.87Å; I831-L836 HydrophobicContact CG2-CG 3.84Å; I831-L846 HydrophobicContact CD1-CD2 4.2Å; I831-L846 HydrophobicContact CG2-CD2 4.44Å; I831-L848 HydrophobicContact CD1-CD1 4.44Å; I831-L848 HydrophobicContact CG1-CD1 4.23Å
832	S	58.9	Low	61.4	Low	22 Å²	22	55.5 Å²	55.5	15%	0.154	28%	0.284	C	S	.	.			trans	-72.7	148.6	178.3	89	0	0	0	0	111.2	E834 I835 L836	S832-E834 WeakPolarHBondContact CB-OE2 3.43Å; S832-E834 PolarHBondContact O-N 3.36Å; S832-E834 PolarHBondContact OG-OE2 3.11Å; S832-I835 PolarHBondContact O-N 2.9Å; S832-I835 PolarHBondContact OG-N 3.49Å; S832-L836 PolarHBondContact O-N 3.06Å
833	P	62.7	Low	63	Low	58 Å²	58	52.3 Å²	52.3	38%	0.377	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-30.3	177.3	-26.1	36	0	0	0	113.7	G837	P833-G837 PolarHBondContact O-N 3.06Å
834	E	61.8	Low	64.2	Low	121 Å²	121	48.9 Å²	48.9	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-66.5	-37.9	175.1	-49.7	96.1	153	0	0	112	S832 G837 L838	S832-E834 WeakPolarHBondContact CB-OE2 3.43Å; S832-E834 PolarHBondContact O-N 3.36Å; S832-E834 PolarHBondContact OG-OE2 3.11Å; E834-G837 CarbonylContact O-C 3.6Å; E834-G837 WeakPolarHBondContact O-CA 3.5Å; E834-G837 PolarHBondContact O-N 3.44Å; E834-L838 WeakPolarHBondContact O-CG 3.45Å; E834-L838 PolarHBondContact O-N 3.26Å
835	I	60.4	Low	65.8	Low	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-75.1	-36.7	-179.8	-64.5	172	0	0	0	111.1	I831 S832 G837 L838 L839 L846 P855	I831-I835 HydrophobicContact CG2-CB 3.75Å; I831-I835 HydrophobicContact CG2-CG2 3.61Å; S832-I835 PolarHBondContact O-N 2.9Å; S832-I835 PolarHBondContact OG-N 3.49Å; I835-G837 VanDerWaalsContact C-N 3.26Å; I835-G837 PolarHBondContact O-N 2.93Å; I835-L838 PolarHBondContact O-N 2.65Å; I835-L839 PolarHBondContact O-N 3.1Å; I835-L839 VanDerWaalsContact O-N 3.1Å; I835-L846 HydrophobicContact CG2-CD1 4.12Å; I835-L846 HydrophobicContact CG2-CD2 3.83Å; I835-P855 HydrophobicContact CD1-CB 3.35Å; I835-P855 HydrophobicContact CD1-CG 3.58Å
836	L	64.5	Low	66.9	Low	26 Å²	26	46.3 Å²	46.3	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-36.7	168.3	-65.1	174.7	0	0	0	111.1	V828 I831 S832 L839 R840	V828-L836 HydrophobicContact CG1-CD1 4.14Å; V828-L836 HydrophobicContact CG1-CD2 4.36Å; I831-L836 HydrophobicContact CB-CD2 4.11Å; I831-L836 HydrophobicContact CB-CG 4.19Å; I831-L836 HydrophobicContact CD1-CD2 4.34Å; I831-L836 HydrophobicContact CG2-CD2 3.87Å; I831-L836 HydrophobicContact CG2-CG 3.84Å; S832-L836 PolarHBondContact O-N 3.06Å; L836-L839 PolarHBondContact O-N 2.97Å; L836-R840 PolarHBondContact O-N 3.47Å
837	G	65.7	Low	67.9	Low	34 Å²	34	39.9 Å²	39.9	35%	0.351	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-40.6	170.6	0	0	0	0	0	113.7	P833 E834 I835 L839 R840	P833-G837 PolarHBondContact O-N 3.06Å; E834-G837 CarbonylContact O-C 3.6Å; E834-G837 WeakPolarHBondContact O-CA 3.5Å; E834-G837 PolarHBondContact O-N 3.44Å; I835-G837 VanDerWaalsContact C-N 3.26Å; I835-G837 PolarHBondContact O-N 2.93Å; G837-L839 VanDerWaalsContact C-N 3.34Å; G837-L839 PolarHBondContact O-N 3.44Å; G837-R840 WeakPolarHBondContact O-CB 3.23Å; G837-R840 PolarHBondContact O-N 3.03Å
838	L	66	Low	68.6	Low	48 Å²	48	37.9 Å²	37.9	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-28.7	175.4	-72.5	174.9	0	0	0	113.5	F543 E834 I835 R840 N841 Y858	F543-L838 HydrophobicContact CZ-CD1 4.43Å; E834-L838 WeakPolarHBondContact O-CG 3.45Å; E834-L838 PolarHBondContact O-N 3.26Å; I835-L838 PolarHBondContact O-N 2.65Å; L838-R840 VanDerWaalsContact C-N 3.33Å; L838-N841 VanDerWaalsContact O-CG 3.23Å; L838-N841 PolarHBondContact O-ND2 3.43Å; L838-N841 PolarHBondContact O-OD1 2.99Å; L838-N841 VanDerWaalsContact O-OD1 3.06Å; L838-Y858 HydrophobicContact CB-CD2 4.37Å; L838-Y858 HydrophobicContact CB-CE2 3.76Å; L838-Y858 HydrophobicContact CD1-CD1 4.49Å; L838-Y858 PolarHBondContact O-OH 2.66Å
839	L	69.9	Low	68.8	Low	8 Å²	8	39 Å²	39	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-74.3	-21.6	177.8	-73.5	170	0	0	0	113	L677 I835 L836 G837 N841 N842 Y858	L677-L839 HydrophobicContact CD1-CB 4.27Å; L677-L839 WeakPolarHBondContact CD1-O 3.21Å; L677-L839 HydrophobicContact CG-CB 4.28Å; I835-L839 PolarHBondContact O-N 3.1Å; I835-L839 VanDerWaalsContact O-N 3.1Å; L836-L839 PolarHBondContact O-N 2.97Å; G837-L839 VanDerWaalsContact C-N 3.34Å; G837-L839 PolarHBondContact O-N 3.44Å; L839-N841 PolarHBondContact O-N 3.06Å; L839-N842 PolarHBondContact O-N 2.81Å; L839-Y858 HydrophobicContact CD2-CE2 4.1Å; L839-Y858 HydrophobicContact CG-CE2 4.49Å
840	R	67.7	Low	68.7	Low	131 Å²	131	36.1 Å²	36.1	49%	0.494	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-9.5	176.3	-75.9	-171.7	164.8	-161.2	-8.7	114.9	D578 L836 G837 L838 N842	D578-R840 IonicContact OD2-CZ 2.66Å; D578-R840 IonicContact OD2-NH2 2.99Å; D578-R840 PolarHBondContact OD2-NH2 2.94Å; L836-R840 PolarHBondContact O-N 3.47Å; G837-R840 WeakPolarHBondContact O-CB 3.23Å; G837-R840 PolarHBondContact O-N 3.03Å; L838-R840 VanDerWaalsContact C-N 3.33Å; R840-N842 VanDerWaalsContact C-N 3.29Å
841	N	69.7	Low	68.4	Low	58 Å²	58	40.5 Å²	40.5	31%	0.31	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.7	172.7	68.5	1.9	0	0	0	113.7	L838 L839 L843 G844 Y858 E860	L838-N841 VanDerWaalsContact O-CG 3.23Å; L838-N841 PolarHBondContact O-ND2 3.43Å; L838-N841 PolarHBondContact O-OD1 2.99Å; L838-N841 VanDerWaalsContact O-OD1 3.06Å; L839-N841 PolarHBondContact O-N 3.06Å; N841-L843 PolarHBondContact O-N 2.86Å; N841-L843 PolarHBondContact OD1-N 2.74Å; N841-G844 PolarHBondContact OD1-N 3.24Å; N841-Y858 PolarHBondContact ND2-OH 2.82Å; N841-E860 PolarHBondContact ND2-OE1 3.38Å
842	N	75.1	Confident	68.1	Low	33 Å²	33	43 Å²	43	18%	0.176	23%	0.232	C	C	.	.	S	Bend	trans	55.3	3.6	-170.9	-68.2	-18	0	0	0	116	L677 D679 L839 R840 R867	L677-N842 WeakPolarHBondContact CB-OD1 3.16Å; D679-N842 VanDerWaalsContact CG-ND2 3.29Å; D679-N842 PolarHBondContact OD2-ND2 3.17Å; L839-N842 PolarHBondContact O-N 2.81Å; R840-N842 VanDerWaalsContact C-N 3.29Å; N842-R867 VanDerWaalsContact O-CD 3.23Å; N842-R867 WeakPolarHBondContact O-CD 3.17Å; N842-R867 PolarHBondContact O-NH1 3.33Å
843	L	81.4	Confident	67.6	Low	44 Å²	44	48.9 Å²	48.9	23%	0.23	26%	0.262	C	S	.	.	S	Bend	trans	-94	-20.5	175.1	-64	179	0	0	0	112.6	N841 E860 A861 V864	N841-L843 PolarHBondContact O-N 2.86Å; N841-L843 PolarHBondContact OD1-N 2.74Å; L843-E860 HydrophobicContact CB-CG 3.77Å; L843-A861 PolarHBondContact O-N 2.96Å; L843-A861 VanDerWaalsContact O-N 3.08Å; L843-V864 HydrophobicContact CD2-CG2 4.03Å
844	G	78.5	Confident	66.9	Low	1 Å²	1	53.6 Å²	53.6	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	150.7	-178.9	0	0	0	0	0	115.2	N841 F859	N841-G844 PolarHBondContact OD1-N 3.24Å; G844-F859 CarbonylContact C-O 3.57Å; G844-F859 VanDerWaalsContact CA-O 3.29Å; G844-F859 WeakPolarHBondContact CA-O 3.41Å
845	F	85.5	Confident	66.4	Low	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153	159.2	69.1	-88.6	0	0	0	110.4	L538 F652 L674 F675 L847 F859 R867 W870 I871 I874	L538-F845 HydrophobicContact CD1-CE1 4.14Å; L538-F845 HydrophobicContact CD1-CZ 3.94Å; L538-F845 HydrophobicContact CD2-CE1 4.24Å; F652-F845 HydrophobicContact CE1-CE2 4.49Å; F652-F845 HydrophobicContact CE1-CZ 4.47Å; L674-F845 HydrophobicContact CD1-CB 4.17Å; L674-F845 HydrophobicContact CD1-CD2 3.64Å; L674-F845 HydrophobicContact CD1-CE2 4.49Å; L674-F845 HydrophobicContact CD1-CG 4.3Å; F675-F845 WeakPolarHBondContact O-CA 3.37Å; F845-L847 HydrophobicContact CE2-CG 4.45Å; F845-F859 HydrophobicContact CD1-CB 4.15Å; F845-F859 HydrophobicContact CD2-CB 4.44Å; F845-F859 HydrophobicContact CD2-CD2 4.46Å; F845-F859 HydrophobicContact CE1-CB 3.69Å; F845-F859 HydrophobicContact CE2-CB 4.02Å; F845-F859 AromaticContact CE2-CD2 3.82Å; F845-F859 HydrophobicContact CE2-CD2 3.82Å; F845-F859 HydrophobicContact CE2-CG 4.26Å; F845-F859 HydrophobicContact CZ-CB 3.62Å; F845-F859 HydrophobicContact CZ-CD2 4.09Å; F845-F859 HydrophobicContact CZ-CG 4.08Å; F845-F859 PolarHBondContact N-O 3.22Å; F845-F859 PolarHBondContact O-N 3.47Å; F845-R867 HydrophobicContact CD1-CG 4.12Å; F845-W870 HydrophobicContact CE1-CB 4.01Å; F845-W870 HydrophobicContact CE1-CG 4.49Å; F845-W870 HydrophobicContact CZ-CB 4.17Å; F845-I871 HydrophobicContact CB-CD1 4.31Å; F845-I871 HydrophobicContact CB-CG1 4.33Å; F845-I871 HydrophobicContact CG-CG1 4.42Å; F845-I874 HydrophobicContact CE2-CD1 3.74Å; F845-I874 HydrophobicContact CZ-CD1 4.13Å
846	L	80.7	Confident	66.5	Low	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.1	-173.2	-176.6	74.5	0	0	0	110.3	L674 F675 I831 I835 L848	L674-L846 WeakPolarHBondContact CA-O 3.35Å; F675-L846 HydrophobicContact CB-CB 4.32Å; F675-L846 PolarHBondContact N-O 3.23Å; F675-L846 PolarHBondContact O-N 2.88Å; I831-L846 HydrophobicContact CD1-CD2 4.2Å; I831-L846 HydrophobicContact CG2-CD2 4.44Å; I835-L846 HydrophobicContact CG2-CD1 4.12Å; I835-L846 HydrophobicContact CG2-CD2 3.83Å; L846-L848 HydrophobicContact CD1-CD2 4.19Å; L846-L848 HydrophobicContact CD2-CD1 3.94Å; L846-L848 HydrophobicContact CD2-CD2 3.79Å; L846-L848 HydrophobicContact CD2-CG 3.79Å; L846-L848 HydrophobicContact CG-CD2 3.82Å; L846-L848 HydrophobicContact CG-CG 3.94Å
847	L	80.8	Confident	66.9	Low	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.8	170.6	-73	175.4	0	0	0	109.4	F652 V669 L672 L674 F845 H857 F859	F652-L847 HydrophobicContact CD1-CD1 3.86Å; F652-L847 HydrophobicContact CE1-CD1 4.06Å; V669-L847 HydrophobicContact CG1-CD1 4.1Å; L672-L847 HydrophobicContact CB-CD2 4.47Å; L672-L847 HydrophobicContact CD1-CB 4.01Å; L672-L847 HydrophobicContact CD1-CD1 4.33Å; L672-L847 HydrophobicContact CD1-CD2 4.23Å; L672-L847 HydrophobicContact CD1-CG 4.43Å; L674-L847 HydrophobicContact CB-CD2 4.14Å; L674-L847 HydrophobicContact CD1-CD2 3.85Å; L674-L847 HydrophobicContact CD1-CG 4.47Å; F845-L847 HydrophobicContact CE2-CG 4.45Å; L847-H857 PolarHBondContact N-O 2.88Å; L847-H857 PolarHBondContact O-N 2.79Å; L847-F859 HydrophobicContact CD1-CE2 4.15Å
848	L	72.3	Confident	67.7	Low	9 Å²	9	49.8 Å²	49.8	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.6	179.8	-66.6	-168.8	0	0	0	112.2	L672 R673 F675 I831 L846 P855	L672-L848 CarbonylContact C-O 3.57Å; L672-L848 WeakPolarHBondContact CA-O 3.41Å; L672-L848 WeakPolarHBondContact CB-O 3.19Å; R673-L848 HydrophobicContact CB-CB 4.48Å; R673-L848 PolarHBondContact N-O 2.94Å; R673-L848 PolarHBondContact O-N 2.89Å; F675-L848 HydrophobicContact CD2-CD1 4.02Å; F675-L848 HydrophobicContact CD2-CG 4.18Å; F675-L848 HydrophobicContact CE2-CB 4.21Å; F675-L848 HydrophobicContact CE2-CD1 3.63Å; F675-L848 HydrophobicContact CE2-CG 4.09Å; F675-L848 HydrophobicContact CZ-CD1 4.3Å; I831-L848 HydrophobicContact CD1-CD1 4.44Å; I831-L848 HydrophobicContact CG1-CD1 4.23Å; L846-L848 HydrophobicContact CD1-CD2 4.19Å; L846-L848 HydrophobicContact CD2-CD1 3.94Å; L846-L848 HydrophobicContact CD2-CD2 3.79Å; L846-L848 HydrophobicContact CD2-CG 3.79Å; L846-L848 HydrophobicContact CG-CD2 3.82Å; L846-L848 HydrophobicContact CG-CG 3.94Å; L848-P855 HydrophobicContact CD2-CB 4.28Å
849	P	65.4	Low	68.6	Low	33 Å²	33	47.5 Å²	47.5	21%	0.214	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	154.2	172.2	-14.4	30.8	0	0	0	111.3	L672 R673 T852 A856	L672-P849 HydrophobicContact CD2-CB 4.36Å; R673-P849 PolarHBondContact NH2-O 2.67Å; P849-T852 HydrophobicContact CB-CG2 4.4Å; P849-T852 WeakPolarHBondContact CB-OG1 3.43Å; P849-T852 WeakPolarHBondContact CG-OG1 3.28Å; P849-A856 HydrophobicContact CG-CB 3.94Å
850	L	56.9	Low	69.2	Low	53 Å²	53	48.8 Å²	48.8	28%	0.277	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	140.8	159.7	-66.4	159.5	0	0	0	109.2	H16 G671 R673 T852	H16-L850 WeakPolarHBondContact CD2-CD1 3.37Å; G671-L850 WeakPolarHBondContact O-CD1 3.44Å; G671-L850 VanDerWaalsContact O-CG 3.29Å; G671-L850 WeakPolarHBondContact O-CG 3.31Å; R673-L850 HydrophobicContact CG-CD2 4.21Å; L850-T852 PolarHBondContact O-N 3.32Å
851	N	54.5	Low	69.9	Low	159 Å²	159	42.7 Å²	42.7	85%	0.85	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	31	170.2	-52.2	-26.1	0	0	0	116.8
852	T	52.6	Low	70.3	Confident	60 Å²	60	43.8 Å²	43.8	37%	0.368	24%	0.243	S	C	.	.			trans	-136.4	134.5	167.3	69.1	0	0	0	0	113.2	P849 L850 R854	P849-T852 HydrophobicContact CB-CG2 4.4Å; P849-T852 WeakPolarHBondContact CB-OG1 3.43Å; P849-T852 WeakPolarHBondContact CG-OG1 3.28Å; L850-T852 PolarHBondContact O-N 3.32Å; T852-R854 PolarHBondContact O-N 2.88Å
853	D	46.5	Very low	70.6	Confident	146 Å²	146	44.8 Å²	44.8	78%	0.781	25%	0.25	S	S	*	.	S	Bend	trans	-76.2	15.4	174.9	-33.3	-45.1	0	0	0	113.2
854	R	48.2	Very low	70.5	Confident	157 Å²	157	45.4 Å²	45.4	59%	0.592	26%	0.256	S	S	*	.	S	Bend	trans	-104.6	119.2	-176.2	-66.4	-173.6	-178	-175.6	1.5	109.4	T852 A856	T852-R854 PolarHBondContact O-N 2.88Å; R854-A856 PolarHBondContact O-N 2.99Å
855	P	51.6	Low	70.6	Confident	36 Å²	36	51 Å²	51	23%	0.234	28%	0.282	C	S	.	.			trans	-65.6	119.2	172.2	27.8	-32.8	0	0	0	108.7	I835 L848	I835-P855 HydrophobicContact CD1-CB 3.35Å; I835-P855 HydrophobicContact CD1-CG 3.58Å; L848-P855 HydrophobicContact CD2-CB 4.28Å
856	A	62.4	Low	70.5	Confident	38 Å²	38	53.9 Å²	53.9	31%	0.314	30%	0.296	S	S	.	.			trans	-82.9	-68.7	-174.6	0	0	0	0	0	111.1	P849 R854	P849-A856 HydrophobicContact CG-CB 3.94Å; R854-A856 PolarHBondContact O-N 2.99Å
857	H	74.2	Confident	70.7	Confident	27 Å²	27	54 Å²	54	13%	0.125	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	120.5	-176.5	-53.3	-106.9	0	0	0	112.7	W540 D665 I667 L847 F859	W540-H857 AromaticContact CE2-ND1 3.6Å; W540-H857 AromaticContact CZ2-ND1 3.64Å; W540-H857 AromaticContact NE1-CG 3.75Å; W540-H857 AromaticContact NE1-ND1 3.11Å; W540-H857 PolarHBondContact NE1-ND1 3.26Å; W540-H857 VanDerWaalsContact NE1-ND1 3.11Å; D665-H857 IonicContact OD2-CE1 3.97Å; D665-H857 PolarHBondContact OD2-CE1 2.9Å; I667-H857 HydrophobicContact CD1-CB 4.07Å; I667-H857 WeakPolarHBondContact CD1-CD2 3.42Å; I667-H857 VanDerWaalsContact CD1-CG 3.4Å; I667-H857 WeakPolarHBondContact CD1-NE2 3.13Å; L847-H857 PolarHBondContact N-O 2.88Å; L847-H857 PolarHBondContact O-N 2.79Å; H857-F859 HydrophobicContact CB-CD2 4.25Å; H857-F859 HydrophobicContact CB-CE2 3.39Å; H857-F859 HydrophobicContact CB-CZ 3.61Å
858	Y	80.9	Confident	70.9	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.3	166.9	172.3	-91.3	0	0	0	109.4	C541 L639 L838 L839 N841 E860	C541-Y858 HydrophobicContact CB-CD1 4.36Å; C541-Y858 PolarHBondContact N-O 3.12Å; L639-Y858 HydrophobicContact CD2-CD1 4.34Å; L639-Y858 HydrophobicContact CD2-CE1 4.25Å; L838-Y858 HydrophobicContact CB-CD2 4.37Å; L838-Y858 HydrophobicContact CB-CE2 3.76Å; L838-Y858 HydrophobicContact CD1-CD1 4.49Å; L838-Y858 PolarHBondContact O-OH 2.66Å; L839-Y858 HydrophobicContact CD2-CE2 4.1Å; L839-Y858 HydrophobicContact CG-CE2 4.49Å; N841-Y858 PolarHBondContact ND2-OH 2.82Å; Y858-E860 HydrophobicContact CE1-CB 3.87Å
859	F	85.1	Confident	71.5	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.4	177.5	-63.5	-77.4	0	0	0	111	L538 M539 W540 F652 F654 I667 G844 F845 L847 H857	L538-F859 HydrophobicContact CB-CD1 4.24Å; L538-F859 HydrophobicContact CD1-CB 4.12Å; L538-F859 HydrophobicContact CD1-CD1 4.14Å; L538-F859 HydrophobicContact CD1-CG 4.26Å; M539-F859 CarbonylContact O-C 3.6Å; M539-F859 WeakPolarHBondContact O-CA 3.39Å; W540-F859 HydrophobicContact CB-CD1 4.08Å; W540-F859 HydrophobicContact CB-CE1 4.05Å; W540-F859 AromaticContact CD1-CE1 3.57Å; W540-F859 AromaticContact CD1-CZ 3.97Å; W540-F859 HydrophobicContact CG-CD1 4.39Å; W540-F859 AromaticContact CG-CE1 3.99Å; W540-F859 HydrophobicContact CG-CE1 3.99Å; F652-F859 HydrophobicContact CE1-CD2 4.3Å; F652-F859 AromaticContact CE1-CE2 3.97Å; F652-F859 HydrophobicContact CE1-CE2 3.97Å; F652-F859 HydrophobicContact CE1-CZ 4.2Å; F654-F859 AromaticContact CD1-CE1 3.82Å; F654-F859 HydrophobicContact CD1-CE1 3.82Å; F654-F859 HydrophobicContact CD1-CZ 4.04Å; F654-F859 AromaticContact CE1-CE1 3.5Å; F654-F859 HydrophobicContact CE1-CE1 3.5Å; F654-F859 VanDerWaalsContact CE1-CE1 3.5Å; F654-F859 HydrophobicContact CE1-CE2 4.31Å; F654-F859 AromaticContact CE1-CZ 3.32Å; F654-F859 HydrophobicContact CE1-CZ 3.32Å; F654-F859 HydrophobicContact CE2-CZ 4.27Å; F654-F859 HydrophobicContact CZ-CE1 4.12Å; F654-F859 HydrophobicContact CZ-CE2 4.32Å; F654-F859 AromaticContact CZ-CZ 3.48Å; F654-F859 HydrophobicContact CZ-CZ 3.48Å; F654-F859 VanDerWaalsContact CZ-CZ 3.48Å; I667-F859 HydrophobicContact CD1-CZ 4.43Å; G844-F859 CarbonylContact C-O 3.57Å; G844-F859 VanDerWaalsContact CA-O 3.29Å; G844-F859 WeakPolarHBondContact CA-O 3.41Å; F845-F859 HydrophobicContact CD1-CB 4.15Å; F845-F859 HydrophobicContact CD2-CB 4.44Å; F845-F859 HydrophobicContact CD2-CD2 4.46Å; F845-F859 HydrophobicContact CE1-CB 3.69Å; F845-F859 HydrophobicContact CE2-CB 4.02Å; F845-F859 AromaticContact CE2-CD2 3.82Å; F845-F859 HydrophobicContact CE2-CD2 3.82Å; F845-F859 HydrophobicContact CE2-CG 4.26Å; F845-F859 HydrophobicContact CZ-CB 3.62Å; F845-F859 HydrophobicContact CZ-CD2 4.09Å; F845-F859 HydrophobicContact CZ-CG 4.08Å; F845-F859 PolarHBondContact N-O 3.22Å; F845-F859 PolarHBondContact O-N 3.47Å; L847-F859 HydrophobicContact CD1-CE2 4.15Å; H857-F859 HydrophobicContact CB-CD2 4.25Å; H857-F859 HydrophobicContact CB-CE2 3.39Å; H857-F859 HydrophobicContact CB-CZ 3.61Å
860	E	82.5	Confident	72.6	Confident	34 Å²	34	58.7 Å²	58.7	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.1	179.1	-173.6	177	-177.1	0	0	110.3	M539 N841 L843 Y858	M539-E860 HydrophobicContact CB-CB 4.19Å; M539-E860 PolarHBondContact N-O 2.83Å; M539-E860 PolarHBondContact O-N 2.9Å; N841-E860 PolarHBondContact ND2-OE1 3.38Å; L843-E860 HydrophobicContact CB-CG 3.77Å; Y858-E860 HydrophobicContact CE1-CB 3.87Å
861	A	83.2	Confident	74	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.033	31%	0.305	C	S	.	.			trans	-99.7	158.4	178.4	0	0	0	0	0	111.7	L538 L843 T863 I866 R867	L538-A861 HydrophobicContact CD2-CB 3.93Å; L843-A861 PolarHBondContact O-N 2.96Å; L843-A861 VanDerWaalsContact O-N 3.08Å; A861-T863 VanDerWaalsContact C-N 3.26Å; A861-T863 PolarHBondContact O-N 2.96Å; A861-I866 HydrophobicContact CB-CB 4.16Å; A861-I866 HydrophobicContact CB-CG2 3.93Å; A861-R867 HydrophobicContact CB-CB 3.85Å
862	A	77.9	Confident	75.5	Confident	81 Å²	81	52 Å²	52	67%	0.669	28%	0.283	S	S	*	.	S	Bend	trans	-69.4	-20.6	-179.6	0	0	0	0	0	114.2	I866	A862-I866 HydrophobicContact CB-CD1 4.23Å
863	T	80.5	Confident	77.1	Confident	53 Å²	53	49.7 Å²	49.7	33%	0.325	27%	0.269	S	S	.	.	S	Bend	trans	-150.8	164	175	76.1	0	0	0	0	110.8	A861 E865 I866 R867	A861-T863 VanDerWaalsContact C-N 3.26Å; A861-T863 PolarHBondContact O-N 2.96Å; T863-E865 VanDerWaalsContact C-N 3.32Å; T863-E865 WeakPolarHBondContact CB-OE2 3.21Å; T863-E865 PolarHBondContact O-N 3.47Å; T863-E865 PolarHBondContact OG1-OE2 3.44Å; T863-I866 HydrophobicContact CG2-CD1 4.29Å; T863-I866 PolarHBondContact O-N 2.99Å; T863-I866 WeakPolarHBondContact OG1-CG1 3.2Å; T863-I866 PolarHBondContact OG1-N 3.33Å; T863-R867 PolarHBondContact O-N 2.91Å
864	V	79.8	Confident	79	Confident	58 Å²	58	42.7 Å²	42.7	35%	0.352	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-35.6	178.3	-177.6	0	0	0	0	111.5	L843 I866 R867 T868	L843-V864 HydrophobicContact CD2-CG2 4.03Å; V864-I866 VanDerWaalsContact C-N 3.34Å; V864-I866 PolarHBondContact O-N 3.33Å; V864-R867 WeakPolarHBondContact O-CB 3.42Å; V864-R867 PolarHBondContact O-N 3.46Å; V864-T868 WeakPolarHBondContact O-CB 3.37Å; V864-T868 PolarHBondContact O-N 3.13Å; V864-T868 PolarHBondContact O-OG1 2.85Å
865	E	80.8	Confident	80.7	Confident	119 Å²	119	38.1 Å²	38.1	56%	0.556	22%	0.215	S	C	*	.	H	α-helix	trans	-66	-39.7	177.2	-47.8	71.3	-149.5	0	0	110.7	T863 Q869	T863-E865 VanDerWaalsContact C-N 3.32Å; T863-E865 WeakPolarHBondContact CB-OE2 3.21Å; T863-E865 PolarHBondContact O-N 3.47Å; T863-E865 PolarHBondContact OG1-OE2 3.44Å; E865-Q869 WeakPolarHBondContact O-CB 3.34Å; E865-Q869 VanDerWaalsContact O-CG 3.25Å; E865-Q869 WeakPolarHBondContact O-CG 3.43Å; E865-Q869 PolarHBondContact O-N 3.19Å
866	I	83.1	Confident	82.1	Confident	60 Å²	60	43.5 Å²	43.5	31%	0.308	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-40.8	176.5	-63.6	168.7	0	0	0	110.3	A861 A862 T863 V864 Q869 W870	A861-I866 HydrophobicContact CB-CB 4.16Å; A861-I866 HydrophobicContact CB-CG2 3.93Å; A862-I866 HydrophobicContact CB-CD1 4.23Å; T863-I866 HydrophobicContact CG2-CD1 4.29Å; T863-I866 PolarHBondContact O-N 2.99Å; T863-I866 WeakPolarHBondContact OG1-CG1 3.2Å; T863-I866 PolarHBondContact OG1-N 3.33Å; V864-I866 VanDerWaalsContact C-N 3.34Å; V864-I866 PolarHBondContact O-N 3.33Å; I866-Q869 WeakPolarHBondContact O-CB 3.29Å; I866-Q869 PolarHBondContact O-N 3.31Å; I866-W870 VanDerWaalsContact O-CD1 3.22Å; I866-W870 PolarHBondContact O-N 3.4Å
867	R	86.3	Confident	83.2	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-54.5	173.4	-176.2	-153.6	69.4	167.8	13.7	111.3	L677 D678 N842 F845 A861 T863 V864 Q869 W870 I871	L677-R867 PolarHBondContact O-NH1 3.29Å; L677-R867 PolarHBondContact O-NH2 3.4Å; D678-R867 IonicContact OD1-NH2 2.73Å; D678-R867 PolarHBondContact OD1-NH2 3.21Å; N842-R867 VanDerWaalsContact O-CD 3.23Å; N842-R867 WeakPolarHBondContact O-CD 3.17Å; N842-R867 PolarHBondContact O-NH1 3.33Å; F845-R867 HydrophobicContact CD1-CG 4.12Å; A861-R867 HydrophobicContact CB-CB 3.85Å; T863-R867 PolarHBondContact O-N 2.91Å; V864-R867 WeakPolarHBondContact O-CB 3.42Å; V864-R867 PolarHBondContact O-N 3.46Å; R867-Q869 VanDerWaalsContact C-N 3.28Å; R867-Q869 PolarHBondContact O-N 3.23Å; R867-W870 WeakPolarHBondContact O-CB 3.46Å; R867-W870 PolarHBondContact O-N 3.21Å; R867-I871 HydrophobicContact CG-CD1 3.89Å; R867-I871 WeakPolarHBondContact O-CG1 3.35Å; R867-I871 PolarHBondContact O-N 3.36Å
868	T	84.2	Confident	83.5	Confident	41 Å²	41	40.5 Å²	40.5	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-33.3	-179	-62.7	0	0	0	0	111.7	V864 N872	V864-T868 WeakPolarHBondContact O-CB 3.37Å; V864-T868 PolarHBondContact O-N 3.13Å; V864-T868 PolarHBondContact O-OG1 2.85Å; T868-N872 WeakPolarHBondContact O-CB 3.14Å; T868-N872 PolarHBondContact O-N 3.48Å; T868-N872 PolarHBondContact O-ND2 3.13Å
869	Q	85.3	Confident	83.4	Confident	96 Å²	96	43 Å²	43	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-38.6	169.6	-86.1	-171.4	39.4	0	0	113.8	R534 E865 I866 R867 S873	R534-Q869 PolarHBondContact NE-O 3.29Å; R534-Q869 PolarHBondContact NH2-O 2.89Å; E865-Q869 WeakPolarHBondContact O-CB 3.34Å; E865-Q869 VanDerWaalsContact O-CG 3.25Å; E865-Q869 WeakPolarHBondContact O-CG 3.43Å; E865-Q869 PolarHBondContact O-N 3.19Å; I866-Q869 WeakPolarHBondContact O-CB 3.29Å; I866-Q869 PolarHBondContact O-N 3.31Å; R867-Q869 VanDerWaalsContact C-N 3.28Å; R867-Q869 PolarHBondContact O-N 3.23Å; Q869-S873 WeakPolarHBondContact O-CB 3.35Å; Q869-S873 PolarHBondContact O-N 2.94Å; Q869-S873 VanDerWaalsContact O-N 3.08Å; Q869-S873 PolarHBondContact O-OG 3Å
870	W	88.6	Confident	83	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-48.1	173.1	-84.4	106.7	0	0	0	111.5	R534 L538 C644 L646 F652 F845 I866 R867 N872 S873 I874	R534-W870 HydrophobicContact CB-CE3 4.31Å; R534-W870 HydrophobicContact CB-CH2 4.26Å; R534-W870 HydrophobicContact CB-CZ3 3.92Å; R534-W870 VanDerWaalsContact CD-CE3 3.42Å; R534-W870 HydrophobicContact CG-CD2 4.1Å; R534-W870 HydrophobicContact CG-CE3 3.9Å; R534-W870 HydrophobicContact CG-CH2 3.73Å; R534-W870 HydrophobicContact CG-CZ2 3.95Å; R534-W870 HydrophobicContact CG-CZ3 3.69Å; L538-W870 HydrophobicContact CD1-CD2 4.02Å; L538-W870 HydrophobicContact CD1-CG 4.33Å; L538-W870 HydrophobicContact CD1-CZ2 4.18Å; L538-W870 HydrophobicContact CD2-CG 4.41Å; L538-W870 HydrophobicContact CG-CZ2 4.36Å; C644-W870 HydrophobicContact CB-CH2 3.93Å; C644-W870 HydrophobicContact CB-CZ2 4.26Å; L646-W870 HydrophobicContact CB-CZ3 4Å; F652-W870 HydrophobicContact CD2-CZ3 4.36Å; F652-W870 AromaticContact CE2-CE3 3.98Å; F652-W870 HydrophobicContact CE2-CE3 3.98Å; F652-W870 AromaticContact CE2-CH2 3.95Å; F652-W870 HydrophobicContact CE2-CH2 3.95Å; F652-W870 AromaticContact CE2-CZ3 3.4Å; F652-W870 HydrophobicContact CE2-CZ3 3.4Å; F652-W870 AromaticContact CZ-CE3 4Å; F652-W870 HydrophobicContact CZ-CE3 4Å; F652-W870 AromaticContact CZ-CZ3 3.89Å; F652-W870 HydrophobicContact CZ-CZ3 3.89Å; F845-W870 HydrophobicContact CE1-CB 4.01Å; F845-W870 HydrophobicContact CE1-CG 4.49Å; F845-W870 HydrophobicContact CZ-CB 4.17Å; I866-W870 VanDerWaalsContact O-CD1 3.22Å; I866-W870 PolarHBondContact O-N 3.4Å; R867-W870 WeakPolarHBondContact O-CB 3.46Å; R867-W870 PolarHBondContact O-N 3.21Å; W870-N872 VanDerWaalsContact C-N 3.35Å; W870-N872 PolarHBondContact O-N 3.19Å; W870-S873 PolarHBondContact O-N 2.83Å; W870-S873 VanDerWaalsContact O-N 3.16Å; W870-I874 WeakPolarHBondContact O-CG1 3.32Å; W870-I874 PolarHBondContact O-N 3.02Å
871	I	86.7	Confident	82.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-52.6	-51.8	175.7	-71.7	161.7	0	0	0	110.7	L674 Y676 F845 R867 S873 I874 R875	L674-I871 HydrophobicContact CD2-CB 4.44Å; L674-I871 HydrophobicContact CD2-CG1 4.35Å; L674-I871 HydrophobicContact CD2-CG2 4.05Å; Y676-I871 HydrophobicContact CD1-CD1 3.74Å; Y676-I871 HydrophobicContact CD1-CG1 4.39Å; Y676-I871 HydrophobicContact CD1-CG2 4.42Å; Y676-I871 HydrophobicContact CD2-CD1 3.7Å; Y676-I871 HydrophobicContact CE1-CD1 4.09Å; Y676-I871 HydrophobicContact CE1-CG2 3.89Å; Y676-I871 HydrophobicContact CE2-CD1 4.02Å; Y676-I871 HydrophobicContact CG-CD1 3.55Å; F845-I871 HydrophobicContact CB-CD1 4.31Å; F845-I871 HydrophobicContact CB-CG1 4.33Å; F845-I871 HydrophobicContact CG-CG1 4.42Å; R867-I871 HydrophobicContact CG-CD1 3.89Å; R867-I871 WeakPolarHBondContact O-CG1 3.35Å; R867-I871 PolarHBondContact O-N 3.36Å; I871-S873 VanDerWaalsContact C-N 3.34Å; I871-S873 PolarHBondContact O-N 3.47Å; I871-I874 PolarHBondContact O-N 2.84Å; I871-R875 WeakPolarHBondContact O-CG 3.46Å; I871-R875 PolarHBondContact O-N 3.07Å
872	N	85.7	Confident	82.1	Confident	72 Å²	72	49.3 Å²	49.3	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-68.9	-29.6	-178.8	-71.4	-17.1	0	0	0	113.3	T868 W870 R875 R876	T868-N872 WeakPolarHBondContact O-CB 3.14Å; T868-N872 PolarHBondContact O-N 3.48Å; T868-N872 PolarHBondContact O-ND2 3.13Å; W870-N872 VanDerWaalsContact C-N 3.35Å; W870-N872 PolarHBondContact O-N 3.19Å; N872-R875 PolarHBondContact OD1-NH1 2.8Å; N872-R876 VanDerWaalsContact O-CB 3.25Å; N872-R876 WeakPolarHBondContact O-CB 3.45Å; N872-R876 PolarHBondContact O-N 3.13Å
873	S	86.7	Confident	81.7	Confident	11 Å²	11	48.1 Å²	48.1	8%	0.077	24%	0.241	C	C	.	.	H	α-helix	trans	-71.6	-36.9	170.3	-76.4	0	0	0	0	112.8	R534 L646 Q869 W870 I871 R876 V877	R534-S873 PolarHBondContact NE-OG 2.91Å; R534-S873 PolarHBondContact NH2-OG 2.74Å; L646-S873 WeakPolarHBondContact CD2-O 3.22Å; Q869-S873 WeakPolarHBondContact O-CB 3.35Å; Q869-S873 PolarHBondContact O-N 2.94Å; Q869-S873 VanDerWaalsContact O-N 3.08Å; Q869-S873 PolarHBondContact O-OG 3Å; W870-S873 PolarHBondContact O-N 2.83Å; W870-S873 VanDerWaalsContact O-N 3.16Å; I871-S873 VanDerWaalsContact C-N 3.34Å; I871-S873 PolarHBondContact O-N 3.47Å; S873-R876 PolarHBondContact O-N 3.28Å; S873-V877 WeakPolarHBondContact O-CG2 3.44Å; S873-V877 PolarHBondContact O-N 2.97Å
874	I	86.3	Confident	81	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-50.4	174.9	-70.2	165.9	0	0	0	110	L15 L646 F652 V669 L674 F845 W870 I871 R876 V877 C878	L15-I874 HydrophobicContact CD1-CG2 3.7Å; L646-I874 HydrophobicContact CD1-CG1 4.44Å; L646-I874 HydrophobicContact CD2-CG1 4Å; F652-I874 HydrophobicContact CE1-CD1 4.26Å; V669-I874 HydrophobicContact CB-CG2 4.27Å; V669-I874 HydrophobicContact CG2-CG2 4.22Å; L674-I874 HydrophobicContact CD2-CG2 4.19Å; F845-I874 HydrophobicContact CE2-CD1 3.74Å; F845-I874 HydrophobicContact CZ-CD1 4.13Å; W870-I874 WeakPolarHBondContact O-CG1 3.32Å; W870-I874 PolarHBondContact O-N 3.02Å; I871-I874 PolarHBondContact O-N 2.84Å; I874-R876 VanDerWaalsContact C-N 3.33Å; I874-R876 PolarHBondContact O-N 3.4Å; I874-V877 PolarHBondContact O-N 3.36Å; I874-C878 PolarHBondContact O-N 3.28Å; I874-C878 VanDerWaalsContact O-N 3.14Å; I874-C878 PolarHBondContact O-SG 3.45Å
875	R	83.3	Confident	79.7	Confident	61 Å²	61	50.6 Å²	50.6	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-51.6	-50.9	172.3	-72.7	172.1	172.6	162.9	-10.1	111.5	D13 Y676 I871 N872 C878 I879	D13-R875 VanDerWaalsContact CG-NE 3.34Å; D13-R875 VanDerWaalsContact CG-NH2 3.27Å; D13-R875 IonicContact OD1-CZ 2.76Å; D13-R875 IonicContact OD1-NE 2.76Å; D13-R875 PolarHBondContact OD1-NE 3.06Å; D13-R875 IonicContact OD1-NH2 3.64Å; D13-R875 PolarHBondContact OD1-NH2 3.45Å; D13-R875 IonicContact OD2-CZ 3.99Å; D13-R875 VanDerWaalsContact OD2-CZ 3.24Å; D13-R875 IonicContact OD2-NE 2.77Å; D13-R875 PolarHBondContact OD2-NE 3.22Å; D13-R875 IonicContact OD2-NH2 3.62Å; D13-R875 PolarHBondContact OD2-NH2 3.24Å; Y676-R875 PolarHBondContact OH-NH1 3.33Å; Y676-R875 PolarHBondContact OH-NH2 2.82Å; I871-R875 WeakPolarHBondContact O-CG 3.46Å; I871-R875 PolarHBondContact O-N 3.07Å; N872-R875 PolarHBondContact OD1-NH1 2.8Å; R875-C878 PolarHBondContact O-N 3.43Å; R875-I879 WeakPolarHBondContact O-CG1 3.42Å; R875-I879 PolarHBondContact O-N 3.01Å
876	R	81.7	Confident	78.4	Confident	148 Å²	148	49.7 Å²	49.7	56%	0.558	27%	0.266	S	S	*	.	H	α-helix	trans	-61.4	-45.8	-179.1	-175.3	176.2	-62.4	168.5	0	112.4	L533 N872 S873 I874 C878 I879 D880	L533-R876 HydrophobicContact CD2-CG 4.43Å; N872-R876 VanDerWaalsContact O-CB 3.25Å; N872-R876 WeakPolarHBondContact O-CB 3.45Å; N872-R876 PolarHBondContact O-N 3.13Å; S873-R876 PolarHBondContact O-N 3.28Å; I874-R876 VanDerWaalsContact C-N 3.33Å; I874-R876 PolarHBondContact O-N 3.4Å; R876-C878 VanDerWaalsContact C-N 3.28Å; R876-C878 PolarHBondContact O-N 3.2Å; R876-I879 PolarHBondContact O-N 3.35Å; R876-I879 VanDerWaalsContact O-N 3.16Å; R876-D880 WeakPolarHBondContact CG-OD1 3.38Å; R876-D880 VanDerWaalsContact CG-OD2 3.3Å; R876-D880 WeakPolarHBondContact CG-OD2 3.19Å; R876-D880 WeakPolarHBondContact O-CB 3.47Å; R876-D880 PolarHBondContact O-N 3.27Å
877	V	83.9	Confident	76.5	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-41.1	176.3	168.6	0	0	0	0	111.7	L533 L646 Q647 T650 S873 I874 F881	L533-V877 HydrophobicContact CB-CG2 4.05Å; L533-V877 HydrophobicContact CD2-CG2 3.44Å; L533-V877 VanDerWaalsContact CD2-CG2 3.44Å; L533-V877 HydrophobicContact CG-CG2 4.33Å; L646-V877 HydrophobicContact CD1-CG2 4.46Å; L646-V877 HydrophobicContact CD2-CB 4.34Å; L646-V877 HydrophobicContact CD2-CG2 3.69Å; L646-V877 HydrophobicContact CG-CG2 3.9Å; Q647-V877 WeakPolarHBondContact O-CG1 3.13Å; T650-V877 HydrophobicContact CG2-CG1 4.07Å; S873-V877 WeakPolarHBondContact O-CG2 3.44Å; S873-V877 PolarHBondContact O-N 2.97Å; I874-V877 PolarHBondContact O-N 3.36Å; V877-F881 WeakPolarHBondContact O-CB 3.25Å; V877-F881 PolarHBondContact O-N 2.83Å
878	C	81.4	Confident	74.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-41.3	176.8	-67.5	0	0	0	0	112.5	L20 I874 R875 R876 M882	L20-C878 HydrophobicContact CD1-CB 3.79Å; I874-C878 PolarHBondContact O-N 3.28Å; I874-C878 VanDerWaalsContact O-N 3.14Å; I874-C878 PolarHBondContact O-SG 3.45Å; R875-C878 PolarHBondContact O-N 3.43Å; R876-C878 VanDerWaalsContact C-N 3.28Å; R876-C878 PolarHBondContact O-N 3.2Å; C878-M882 WeakPolarHBondContact O-CB 3.38Å; C878-M882 WeakPolarHBondContact O-CG 3.44Å; C878-M882 PolarHBondContact O-N 2.91Å
879	I	77.8	Confident	73.6	Confident	56 Å²	56	58.5 Å²	58.5	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-49.6	177.5	-65.7	165	0	0	0	111.2	L20 V24 R875 R876 F881 M882 S883	L20-I879 HydrophobicContact CD2-CG1 4.18Å; V24-I879 HydrophobicContact CG2-CG2 4.25Å; R875-I879 WeakPolarHBondContact O-CG1 3.42Å; R875-I879 PolarHBondContact O-N 3.01Å; R876-I879 PolarHBondContact O-N 3.35Å; R876-I879 VanDerWaalsContact O-N 3.16Å; I879-F881 VanDerWaalsContact C-N 3.32Å; I879-F881 PolarHBondContact O-N 3.1Å; I879-M882 PolarHBondContact O-N 2.91Å; I879-S883 WeakPolarHBondContact O-CB 3.15Å; I879-S883 PolarHBondContact O-N 3.24Å; I879-S883 PolarHBondContact O-OG 3.1Å
880	D	76.9	Confident	73	Confident	82 Å²	82	56.5 Å²	56.5	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-42.5	179.7	-67.1	-2.6	0	0	0	110.8	R876 S883 S884	R876-D880 WeakPolarHBondContact CG-OD1 3.38Å; R876-D880 VanDerWaalsContact CG-OD2 3.3Å; R876-D880 WeakPolarHBondContact CG-OD2 3.19Å; R876-D880 WeakPolarHBondContact O-CB 3.47Å; R876-D880 PolarHBondContact O-N 3.27Å; D880-S883 PolarHBondContact O-N 3.31Å; D880-S884 PolarHBondContact O-N 3.07Å; D880-S884 VanDerWaalsContact O-N 3.12Å
881	F	75.9	Confident	72.1	Confident	66 Å²	66	59.4 Å²	59.4	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-49.1	175.3	-177.3	-94.1	0	0	0	111.2	T650 I670 V877 I879 S883 S884 S887	T650-F881 HydrophobicContact CG2-CB 3.46Å; T650-F881 VanDerWaalsContact CG2-CB 3.46Å; T650-F881 HydrophobicContact CG2-CD1 3.58Å; T650-F881 HydrophobicContact CG2-CD2 3.72Å; T650-F881 HydrophobicContact CG2-CE1 4.18Å; T650-F881 HydrophobicContact CG2-CE2 4.29Å; T650-F881 HydrophobicContact CG2-CG 3.31Å; T650-F881 HydrophobicContact CG2-CZ 4.5Å; I670-F881 HydrophobicContact CD1-CD1 4.06Å; I670-F881 HydrophobicContact CD1-CE1 4.39Å; V877-F881 WeakPolarHBondContact O-CB 3.25Å; V877-F881 PolarHBondContact O-N 2.83Å; I879-F881 VanDerWaalsContact C-N 3.32Å; I879-F881 PolarHBondContact O-N 3.1Å; F881-S883 PolarHBondContact O-N 3.3Å; F881-S884 WeakPolarHBondContact O-CB 3.36Å; F881-S884 PolarHBondContact O-N 3.21Å; F881-S887 WeakPolarHBondContact O-CB 3.46Å; F881-S887 PolarHBondContact O-OG 2.77Å
882	M	70.2	Confident	71.3	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-22	176.7	-74.9	-60.1	-67.4	0	0	114.2	P17 L20 C21 V24 I670 C878 I879 S887	P17-M882 HydrophobicContact CB-CE 3.82Å; P17-M882 HydrophobicContact CB-SD 4.08Å; L20-M882 HydrophobicContact CB-CG 4.14Å; L20-M882 HydrophobicContact CD1-CG 4.18Å; C21-M882 WeakPolarHBondContact SG-CE 3.13Å; V24-M882 HydrophobicContact CG2-CB 4.39Å; I670-M882 HydrophobicContact CD1-CG 3.82Å; I670-M882 HydrophobicContact CD1-SD 3.65Å; C878-M882 WeakPolarHBondContact O-CB 3.38Å; C878-M882 WeakPolarHBondContact O-CG 3.44Å; C878-M882 PolarHBondContact O-N 2.91Å; I879-M882 PolarHBondContact O-N 2.91Å; M882-S887 PolarHBondContact O-OG 3.21Å
883	S	70.3	Confident	70.4	Confident	57 Å²	57	62.4 Å²	62.4	40%	0.399	33%	0.33	S	S	.	.	H	α-helix	trans	-87.2	-16.4	177.4	-55.3	0	0	0	0	113.2	V24 I879 D880 F881	V24-S883 WeakPolarHBondContact CG2-OG 3.35Å; I879-S883 WeakPolarHBondContact O-CB 3.15Å; I879-S883 PolarHBondContact O-N 3.24Å; I879-S883 PolarHBondContact O-OG 3.1Å; D880-S883 PolarHBondContact O-N 3.31Å; F881-S883 PolarHBondContact O-N 3.3Å
884	S	65.1	Low	69.3	Low	36 Å²	36	65.8 Å²	65.8	25%	0.252	35%	0.347	S	S	.	.	S	Bend	trans	-62.3	139.1	-178.9	-176.1	0	0	0	0	112.3	D880 F881 S886 S887	D880-S884 PolarHBondContact O-N 3.07Å; D880-S884 VanDerWaalsContact O-N 3.12Å; F881-S884 WeakPolarHBondContact O-CB 3.36Å; F881-S884 PolarHBondContact O-N 3.21Å; S884-S886 PolarHBondContact O-N 2.98Å; S884-S886 PolarHBondContact OG-N 3.34Å; S884-S886 PolarHBondContact OG-OG 3.17Å; S884-S887 PolarHBondContact O-N 3.49Å; S884-S887 VanDerWaalsContact O-N 3.15Å; S884-S887 PolarHBondContact O-OG 2.99Å
885	P	54.4	Low	68.1	Low	127 Å²	127	70.5 Å²	70.5	83%	0.825	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-4.5	166.5	-23.3	34.3	0	0	0	114.9
886	S	52.7	Low	66.9	Low	99 Å²	99	71.2 Å²	71.2	69%	0.692	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	1.4	178.5	73	0	0	0	0	115	S884	S884-S886 PolarHBondContact O-N 2.98Å; S884-S886 PolarHBondContact OG-N 3.34Å; S884-S886 PolarHBondContact OG-OG 3.17Å
887	S	42.1	Very low	65.6	Low	42 Å²	42	64.8 Å²	64.8	29%	0.294	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-16.8	177.7	58.7	0	0	0	0	113.8	F881 M882 S884	F881-S887 WeakPolarHBondContact O-CB 3.46Å; F881-S887 PolarHBondContact O-OG 2.77Å; M882-S887 PolarHBondContact O-OG 3.21Å; S884-S887 PolarHBondContact O-N 3.49Å; S884-S887 VanDerWaalsContact O-N 3.15Å; S884-S887 PolarHBondContact O-OG 2.99Å
888	K	37.1	Very low	64	Low	188 Å²	188	70.5 Å²	70.5	82%	0.817	40%	0.401	S	S	*	.			trans	-83.4	0	166.1	-59.7	-168.6	177.1	-168.5	0	111	N25	N25-K888 PolarHBondContact OD1-NZ 3.02Å; N25-K888 VanDerWaalsContact OD1-NZ 3.15Å

Retrieved 888 of 888 residues in 2080.7 ms (Link to these results)

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