A0A3Q0KLC8_SCHMA Loading...

Phosphatidylinositol 3-kinase catalytic subunit type 3

AlphaFold DB , UniProt , Accession A0A3Q0KLC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 918 aa.

						>A0A3Q0KLC8_SCHMA|A0A3Q0KLC8
MGSLSLGYYPSCDVATATSGLASTDDRQSTLIYPCIKIMNITGFDAERYKVIKGEYTPLACYGELRINYCITRDIPFLSNSFITNWSQTQVNLDRQLFNEAFDLPLPYNALYDYNGICFVLSSTYTDKKGMHEQLIAGANMKLYNSKKVFRQGIYELELHPLEPLGVYRLEDVEKLVREPTFDSKPSNMDTMNQILKTSRKHLRNELLETPLDRHCMPDVEHAVDEAKRASGRLFLSVKFEFSRSHPSVYMPVIFQRPFLPEQSELRADRWNPVDEKYFKMTRNARTADVDRARKPNKDILDRLKLVLDLPPGLNISESDGDLIWKYRFYLADKFPETSLAKFILSVRWEYTEQVNQAVELLKQWPTIAPEHVLELFTRQFLHPAGRRFAVHRLEAASDEELILYLYQLVQALRYENWHDIFSVRPKRNDRTSKRNVSDVIKEGNSEEVKSTNLTSNRKIPSSFRTGRGGALSNIERSREELIGWHSDLKKEWKEDLASFLIRRAQLNFRIANYLYWFLRLEANSNDGEDDFSEQDTVNSPDTQKMYKHVLNRLLHAFDAGSPTCQKWNIELLQQTQFIQDLCRLLKSVTNDLGNRSRKVIQFYVSKLDSEEYAHIRHIDKPFPLPLNPDIIVCGVQSSTATLFKSFQRPALLTFIQPNGDTYRAILKHGDDLRQDQLVLQMIELMDVILRKENFDLRLTPYKVLATSNRLGLVQFVESISLADILHRSTLLAYLQLKAPSPNSPMGVQKDVMETYIRSCAGYCVITYLLGVGDRHMENLLLTADGHLFHIDFSFILGADPKPMAPEVRLTRAMIDGMGGPNSNQFNEFWKITFTAFLILRRHANLFLTLFSLMSNTGIQSFNGQQNNASEFLKEHFCVHQSEEKAVSRLANRMTESIKAIVPDIMERIHTIVQYMRN
					

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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	32.9	Very low	54.3	Low	246 Å²	246	92.5 Å²	92.5	100%	1.212	53%	0.533	S	S	*	.				0	100.4	0	-64.6	-178.7	-158.5	0	0	106.8
2	G	31.7	Very low	56.5	Low	77 Å²	77	87 Å²	87	79%	0.794	50%	0.504	S	S	*	.			trans	-75.2	124.9	-177.3	0	0	0	0	0	110	L4	G2-L4 PolarHBondContact O-N 3.44Å
3	S	28.9	Very low	58.2	Low	112 Å²	112	83.8 Å²	83.8	78%	0.783	48%	0.484	S	S	*	.			trans	-63.5	105.9	169.5	60.9	0	0	0	0	108.4	S5	S3-S5 PolarHBondContact O-N 3.44Å
4	L	30.3	Very low	59.4	Low	166 Å²	166	78.1 Å²	78.1	87%	0.869	45%	0.451	S	S	*	.			trans	-65	90.6	163.4	-95.6	141.3	0	0	0	107	G2 L6	G2-L4 PolarHBondContact O-N 3.44Å; L4-L6 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact O-N 3.12Å
5	S	34.5	Very low	60	Low	84 Å²	84	76.3 Å²	76.3	59%	0.587	45%	0.449	S	S	*	.			trans	-66.7	108	167.4	63.6	0	0	0	0	107.2	S3 G7	S3-S5 PolarHBondContact O-N 3.44Å; S5-G7 PolarHBondContact O-N 3.42Å
6	L	50.9	Low	59.9	Low	66 Å²	66	74.3 Å²	74.3	35%	0.346	44%	0.438	S	S	.	.			trans	-53	111.7	168.5	-99.6	95.6	0	0	0	108.1	L4 Y8 E206 P252	L4-L6 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact O-N 3.12Å; L6-Y8 PolarHBondContact O-N 3.47Å; L6-E206 HydrophobicContact CD1-CG 4.33Å; L6-E206 HydrophobicContact CD2-CG 4.42Å; L6-P252 HydrophobicContact CD2-CG 4.38Å
7	G	62.5	Low	59.2	Low	27 Å²	27	76.2 Å²	76.2	28%	0.278	46%	0.464	S	S	.	.			trans	-75.9	112.6	173	0	0	0	0	0	109	S5 Y9	S5-G7 PolarHBondContact O-N 3.42Å; G7-Y9 WeakPolarHBondContact O-CD2 3.48Å; G7-Y9 WeakPolarHBondContact O-CE2 3.37Å
8	Y	75.9	Confident	58.1	Low	96 Å²	96	76.6 Å²	76.6	38%	0.376	47%	0.467	S	S	.	.			trans	-71.8	145.1	163.6	-63.9	-79.5	0	0	0	109.6	L6 V149 P252 I254	L6-Y8 PolarHBondContact O-N 3.47Å; Y8-V149 HydrophobicContact CD1-CG1 4.31Å; Y8-V149 HydrophobicContact CD1-CG2 3.87Å; Y8-V149 HydrophobicContact CE1-CG1 4.16Å; Y8-V149 HydrophobicContact CE1-CG2 3.6Å; Y8-P252 WeakPolarHBondContact CA-O 3.35Å; Y8-P252 HydrophobicContact CD1-CB 3.88Å; Y8-P252 HydrophobicContact CD1-CG 4.21Å; Y8-P252 HydrophobicContact CE1-CB 4.11Å; Y8-I254 HydrophobicContact CD1-CB 4.45Å; Y8-I254 HydrophobicContact CG-CB 4.38Å
9	Y	81.8	Confident	56.8	Low	120 Å²	120	78.3 Å²	78.3	47%	0.471	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.1	178.6	-73.5	-102.1	0	0	0	110	G7 S11 M251 P252 V253 I254	G7-Y9 WeakPolarHBondContact O-CD2 3.48Å; G7-Y9 WeakPolarHBondContact O-CE2 3.37Å; Y9-S11 PolarHBondContact O-N 3.25Å; Y9-M251 HydrophobicContact CD1-CG 4.3Å; Y9-M251 HydrophobicContact CD1-SD 3.42Å; Y9-M251 WeakPolarHBondContact CD1-SD 3.49Å; Y9-M251 HydrophobicContact CD2-CG 3.15Å; Y9-M251 HydrophobicContact CD2-SD 3.43Å; Y9-M251 WeakPolarHBondContact CD2-SD 3.39Å; Y9-M251 HydrophobicContact CE1-SD 3.6Å; Y9-M251 HydrophobicContact CE2-CG 3.52Å; Y9-M251 HydrophobicContact CE2-SD 3.61Å; Y9-M251 HydrophobicContact CG-CE 4.4Å; Y9-M251 HydrophobicContact CG-CG 3.58Å; Y9-M251 HydrophobicContact CG-SD 3.31Å; Y9-P252 PolarHBondContact N-O 3.3Å; Y9-V253 CarbonylContact O-C 3.52Å; Y9-V253 WeakPolarHBondContact O-CA 3.44Å; Y9-I254 PolarHBondContact O-N 3.35Å
10	P	83.4	Confident	55.6	Low	23 Å²	23	77.7 Å²	77.7	15%	0.149	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	131.3	177.3	-25.6	35.9	0	0	0	110.8	C12 D13 V14 I254 Q256	P10-C12 PolarHBondContact O-N 3.41Å; P10-D13 HydrophobicContact CB-CB 4.14Å; P10-D13 WeakPolarHBondContact CG-OD2 3.41Å; P10-D13 WeakPolarHBondContact O-CB 3.35Å; P10-D13 PolarHBondContact O-N 3.26Å; P10-V14 WeakPolarHBondContact O-CG2 3.48Å; P10-I254 CarbonylContact C-O 3.56Å; P10-I254 WeakPolarHBondContact CA-O 3.4Å; P10-Q256 HydrophobicContact CB-CB 3.95Å; P10-Q256 HydrophobicContact CB-CG 4.34Å
11	S	84.7	Confident	54.5	Low	0 Å²	0	83 Å²	83	0%	0	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.4	-179.4	64.2	0	0	0	0	112.6	Y9 D13 Y108 N109 Y144 I254 Q256	Y9-S11 PolarHBondContact O-N 3.25Å; S11-D13 PolarHBondContact O-N 3.18Å; S11-Y108 CarbonylContact O-C 3.5Å; S11-N109 WeakPolarHBondContact O-CA 3.34Å; S11-N109 PolarHBondContact O-N 3.48Å; S11-Y144 WeakPolarHBondContact CB-OH 3.28Å; S11-I254 PolarHBondContact N-O 3.49Å; S11-Q256 PolarHBondContact OG-N 2.98Å; S11-Q256 PolarHBondContact OG-O 2.9Å
12	C	80.2	Confident	54.6	Low	27 Å²	27	74 Å²	74	18%	0.182	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-64.4	-20.1	173.2	55.9	0	0	0	0	114.5	P10 Q256	P10-C12 PolarHBondContact O-N 3.41Å; C12-Q256 PolarHBondContact SG-O 3.46Å
13	D	78.6	Confident	54.9	Low	45 Å²	45	74.2 Å²	74.2	24%	0.241	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-102	-4.6	-173.2	-62.7	2.4	0	0	0	113.1	P10 S11 A15 I475	P10-D13 HydrophobicContact CB-CB 4.14Å; P10-D13 WeakPolarHBondContact CG-OD2 3.41Å; P10-D13 WeakPolarHBondContact O-CB 3.35Å; P10-D13 PolarHBondContact O-N 3.26Å; S11-D13 PolarHBondContact O-N 3.18Å; D13-A15 PolarHBondContact O-N 3.26Å; D13-A15 VanDerWaalsContact O-N 3.08Å; D13-I475 HydrophobicContact CB-CD1 3.42Å; D13-I475 VanDerWaalsContact CB-CD1 3.42Å; D13-I475 VanDerWaalsContact OD1-CD1 3.22Å; D13-I475 WeakPolarHBondContact OD1-CD1 3.39Å
14	V	75.7	Confident	55.3	Low	5 Å²	5	74.3 Å²	74.3	3%	0.03	47%	0.466	C	S	.	.			trans	-81.6	92	-176.4	-173.8	0	0	0	0	110.4	P10 I32 Y108 F242 M251 V253	P10-V14 WeakPolarHBondContact O-CG2 3.48Å; V14-I32 HydrophobicContact CG1-CB 4.06Å; V14-I32 HydrophobicContact CG1-CD1 3.96Å; V14-I32 HydrophobicContact CG1-CG1 4.5Å; V14-I32 HydrophobicContact CG1-CG2 4.32Å; V14-Y108 HydrophobicContact CB-CD2 4.27Å; V14-Y108 HydrophobicContact CB-CG 4.22Å; V14-Y108 HydrophobicContact CG1-CD2 3.58Å; V14-Y108 HydrophobicContact CG1-CE2 4.3Å; V14-Y108 HydrophobicContact CG1-CG 4.02Å; V14-F242 HydrophobicContact CG1-CE2 4.05Å; V14-F242 HydrophobicContact CG1-CZ 3.8Å; V14-M251 HydrophobicContact CG1-CE 4.09Å; V14-M251 HydrophobicContact CG2-CE 4.38Å; V14-V253 HydrophobicContact CG2-CG1 3.87Å; V14-V253 HydrophobicContact CG2-CG2 3.92Å
15	A	68.6	Low	55.7	Low	51 Å²	51	73.4 Å²	73.4	42%	0.421	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-145.2	158.1	172.9	0	0	0	0	0	110.6	D13 T30	D13-A15 PolarHBondContact O-N 3.26Å; D13-A15 VanDerWaalsContact O-N 3.08Å; A15-T30 WeakPolarHBondContact CA-O 3.34Å; A15-T30 WeakPolarHBondContact CB-O 3.37Å
16	T	57.3	Low	56	Low	43 Å²	43	73.1 Å²	73.1	26%	0.264	45%	0.454	S	S	.	.			trans	-77.3	133.7	172.2	46.5	0	0	0	0	110.2	T18 S29 T30 I32	T16-T18 PolarHBondContact O-N 2.76Å; T16-S29 PolarHBondContact OG1-O 3.43Å; T16-T30 PolarHBondContact N-O 2.79Å; T16-T30 VanDerWaalsContact OG1-CA 3.24Å; T16-T30 WeakPolarHBondContact OG1-CA 3.35Å; T16-T30 PolarHBondContact OG1-O 3.42Å; T16-I32 HydrophobicContact CG2-CD1 4.03Å; T16-I32 HydrophobicContact CG2-CG1 4.02Å
17	A	47.9	Very low	55.4	Low	107 Å²	107	76.3 Å²	76.3	88%	0.884	46%	0.462	S	S	*	.			trans	-79.1	98.2	176.9	0	0	0	0	0	110.1
18	T	39.4	Very low	54.5	Low	83 Å²	83	82.8 Å²	82.8	51%	0.509	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-89.4	123.6	166.2	41.7	0	0	0	0	110.1	T16 G20	T16-T18 PolarHBondContact O-N 2.76Å; T18-G20 PolarHBondContact O-N 3.46Å
19	S	35	Very low	53.2	Low	110 Å²	110	81.5 Å²	81.5	77%	0.769	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-51	130.5	162.9	48.1	0	0	0	0	109.4
20	G	31	Very low	52.4	Low	66 Å²	66	77.6 Å²	77.6	68%	0.68	48%	0.479	S	S	*	.	S	Bend	trans	-49.3	147.3	-175.6	0	0	0	0	0	113.7	T18	T18-G20 PolarHBondContact O-N 3.46Å
21	L	34.4	Very low	52.1	Low	188 Å²	188	78.9 Å²	78.9	98%	0.984	48%	0.484	S	S	*	.			trans	112.4	47.9	-178.7	-63.2	150.1	0	0	0	114.9
22	A	33.5	Very low	52.1	Low	58 Å²	58	79.5 Å²	79.5	48%	0.479	49%	0.487	S	S	.	.			trans	-126.1	133.1	170.1	0	0	0	0	0	111.1	D26	A22-D26 HydrophobicContact CB-CB 3.77Å
23	S	37.8	Very low	52.6	Low	82 Å²	82	81.2 Å²	81.2	57%	0.573	49%	0.49	S	S	*	.			trans	-71.4	171.1	-173.1	62.7	0	0	0	0	112.3	D25 D26	S23-D25 PolarHBondContact O-N 3.38Å; S23-D26 PolarHBondContact O-N 3.11Å
24	T	37.9	Very low	53.2	Low	113 Å²	113	79 Å²	79	69%	0.693	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.6	-175.4	37	0	0	0	0	115.6
25	D	38.4	Very low	54	Low	148 Å²	148	78.8 Å²	78.8	79%	0.791	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-20.8	175.3	-90	-21.7	0	0	0	113.7	S23 R27	S23-D25 PolarHBondContact O-N 3.38Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 PolarHBondContact O-N 3.3Å
26	D	41.2	Very low	55.2	Low	78 Å²	78	76.4 Å²	76.4	42%	0.417	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-81.9	-2.2	-179	-86.7	-30.5	0	0	0	113.6	A22 S23 Q28 S29	A22-D26 HydrophobicContact CB-CB 3.77Å; S23-D26 PolarHBondContact O-N 3.11Å; D26-Q28 PolarHBondContact O-N 3Å; D26-S29 WeakPolarHBondContact O-CB 3.28Å; D26-S29 PolarHBondContact O-N 2.79Å; D26-S29 PolarHBondContact O-OG 2.93Å
27	R	38.2	Very low	56.8	Low	133 Å²	133	76.9 Å²	76.9	50%	0.502	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-61.5	-28.8	-176.8	-75.9	-176.8	172.4	-179.1	-3.2	113.7	D25 S29 T30	D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 PolarHBondContact O-N 3.3Å; R27-S29 PolarHBondContact O-N 3.02Å; R27-T30 PolarHBondContact O-N 3.43Å; R27-T30 PolarHBondContact O-OG1 3.47Å
28	Q	43.3	Very low	58.9	Low	162 Å²	162	71.8 Å²	71.8	76%	0.757	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.5	174.4	-75.1	-175.5	-5.2	0	0	113.1	D26 T30	D26-Q28 PolarHBondContact O-N 3Å; Q28-T30 VanDerWaalsContact C-N 3.25Å; Q28-T30 PolarHBondContact O-N 3.36Å
29	S	48.8	Very low	61.3	Low	70 Å²	70	70 Å²	70	49%	0.49	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-74.1	-13	-178.8	74.5	0	0	0	0	114.2	T16 D26 R27	T16-S29 PolarHBondContact OG1-O 3.43Å; D26-S29 WeakPolarHBondContact O-CB 3.28Å; D26-S29 PolarHBondContact O-N 2.79Å; D26-S29 PolarHBondContact O-OG 2.93Å; R27-S29 PolarHBondContact O-N 3.02Å
30	T	65.5	Low	63.9	Low	38 Å²	38	67.1 Å²	67.1	23%	0.233	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-89.3	-17.1	-176.4	60.6	0	0	0	0	114.3	A15 T16 R27 Q28	A15-T30 WeakPolarHBondContact CA-O 3.34Å; A15-T30 WeakPolarHBondContact CB-O 3.37Å; T16-T30 PolarHBondContact N-O 2.79Å; T16-T30 VanDerWaalsContact OG1-CA 3.24Å; T16-T30 WeakPolarHBondContact OG1-CA 3.35Å; T16-T30 PolarHBondContact OG1-O 3.42Å; R27-T30 PolarHBondContact O-N 3.43Å; R27-T30 PolarHBondContact O-OG1 3.47Å; Q28-T30 VanDerWaalsContact C-N 3.25Å; Q28-T30 PolarHBondContact O-N 3.36Å
31	L	77.1	Confident	66.7	Low	50 Å²	50	64.1 Å²	64.1	26%	0.262	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-91.2	132.3	-171.6	-66.3	172.1	0	0	0	110.8	Y33 P107 N109	L31-Y33 HydrophobicContact CB-CD2 4.43Å; L31-Y33 HydrophobicContact CB-CE2 3.67Å; L31-Y33 WeakPolarHBondContact O-CD2 3.48Å; L31-P107 HydrophobicContact CB-CB 3.99Å; L31-P107 HydrophobicContact CB-CG 4.42Å; L31-P107 HydrophobicContact CD1-CG 4.21Å; L31-P107 HydrophobicContact CD2-CB 4.17Å; L31-P107 HydrophobicContact CD2-CG 4.06Å; L31-P107 HydrophobicContact CG-CB 4.49Å; L31-P107 HydrophobicContact CG-CG 4.46Å; L31-N109 WeakPolarHBondContact CD2-ND2 3.37Å
32	I	84.5	Confident	69.2	Low	12 Å²	12	56.1 Å²	56.1	6%	0.062	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-99.4	120.6	175.5	-56.9	179	0	0	0	108.6	V14 T16 P107 Y108 F242	V14-I32 HydrophobicContact CG1-CB 4.06Å; V14-I32 HydrophobicContact CG1-CD1 3.96Å; V14-I32 HydrophobicContact CG1-CG1 4.5Å; V14-I32 HydrophobicContact CG1-CG2 4.32Å; T16-I32 HydrophobicContact CG2-CD1 4.03Å; T16-I32 HydrophobicContact CG2-CG1 4.02Å; I32-P107 WeakPolarHBondContact O-CA 3.46Å; I32-P107 WeakPolarHBondContact O-CB 3.38Å; I32-Y108 HydrophobicContact CB-CD2 4.37Å; I32-Y108 HydrophobicContact CG2-CD2 4.06Å; I32-Y108 HydrophobicContact CG2-CE2 4.02Å; I32-Y108 WeakPolarHBondContact O-CD2 3.44Å; I32-Y108 PolarHBondContact O-N 3.47Å; I32-F242 HydrophobicContact CD1-CE1 4.31Å; I32-F242 HydrophobicContact CD1-CZ 4.16Å; I32-F242 HydrophobicContact CG2-CE1 3.78Å; I32-F242 HydrophobicContact CG2-CZ 3.76Å
33	Y	90.2	Very high	71.6	Confident	63 Å²	63	54.9 Å²	54.9	25%	0.247	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-100.4	131.4	-179.5	-63.6	-92.2	0	0	0	110.4	L31 L104 P107 S243	L31-Y33 HydrophobicContact CB-CD2 4.43Å; L31-Y33 HydrophobicContact CB-CE2 3.67Å; L31-Y33 WeakPolarHBondContact O-CD2 3.48Å; Y33-L104 WeakPolarHBondContact CD1-O 3.46Å; Y33-P107 HydrophobicContact CD1-CB 4.12Å; Y33-P107 HydrophobicContact CE1-CB 4.07Å; Y33-P107 HydrophobicContact CE1-CG 4.25Å; Y33-S243 WeakPolarHBondContact O-CA 3.33Å; Y33-S243 WeakPolarHBondContact O-CB 3Å; Y33-S243 PolarHBondContact O-OG 2.98Å
34	P	91.5	Very high	73.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-64.5	142.1	172.2	-13.6	25.7	0	0	0	111	D103 L104 L106 Y108 L111 F150	P34-D103 WeakPolarHBondContact O-CA 3.07Å; P34-L104 HydrophobicContact CB-CD1 4Å; P34-L104 HydrophobicContact CB-CG 4.45Å; P34-L104 HydrophobicContact CG-CD1 4.08Å; P34-L104 PolarHBondContact O-N 3.49Å; P34-L106 WeakPolarHBondContact CD-O 3.4Å; P34-Y108 HydrophobicContact CB-CE1 4.16Å; P34-Y108 HydrophobicContact CB-CE2 4.22Å; P34-Y108 HydrophobicContact CG-CD1 3.92Å; P34-Y108 HydrophobicContact CG-CD2 4.05Å; P34-Y108 HydrophobicContact CG-CE1 3.69Å; P34-Y108 HydrophobicContact CG-CE2 3.83Å; P34-Y108 HydrophobicContact CG-CG 4.1Å; P34-L111 HydrophobicContact CG-CD1 3.62Å; P34-F150 HydrophobicContact CB-CE1 3.66Å; P34-F150 HydrophobicContact CB-CE2 4.23Å; P34-F150 HydrophobicContact CB-CZ 3.38Å; P34-F150 HydrophobicContact CG-CE1 4.29Å; P34-F150 HydrophobicContact CG-CE2 4.09Å; P34-F150 HydrophobicContact CG-CZ 3.75Å
35	C	92.3	Very high	75.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.8	-179.7	-169.8	0	0	0	0	110.8	F102 D103 E241 R244	C35-F102 PolarHBondContact SG-O 2.89Å; C35-D103 PolarHBondContact SG-OD1 3.22Å; C35-E241 HydrophobicContact CB-CB 4.23Å; C35-E241 PolarHBondContact N-O 2.94Å; C35-E241 PolarHBondContact O-N 3.14Å; C35-R244 HydrophobicContact CB-CB 4.35Å
36	I	93.2	Very high	77.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.4	175.4	-58	176.5	0	0	0	108.2	A101 F102 L104 I117 F119 L143 V238 K239 F240	I36-A101 WeakPolarHBondContact O-CA 3.17Å; I36-F102 HydrophobicContact CB-CE1 3.96Å; I36-F102 HydrophobicContact CB-CE2 4.09Å; I36-F102 HydrophobicContact CB-CZ 3.67Å; I36-F102 HydrophobicContact CD1-CE2 4.3Å; I36-F102 HydrophobicContact CD1-CZ 4.18Å; I36-F102 HydrophobicContact CG1-CZ 4.45Å; I36-F102 HydrophobicContact CG2-CE1 3.99Å; I36-F102 HydrophobicContact CG2-CZ 3.88Å; I36-F102 PolarHBondContact N-O 3.45Å; I36-F102 WeakPolarHBondContact O-CD1 3.35Å; I36-F102 PolarHBondContact O-N 3.01Å; I36-L104 HydrophobicContact CD1-CD1 4.34Å; I36-L104 HydrophobicContact CD1-CD2 3.83Å; I36-L104 HydrophobicContact CD1-CG 4.17Å; I36-I117 HydrophobicContact CD1-CD1 3.6Å; I36-F119 HydrophobicContact CG2-CZ 4.32Å; I36-L143 HydrophobicContact CD1-CD2 4.4Å; I36-V238 HydrophobicContact CG2-CB 4.4Å; I36-K239 WeakPolarHBondContact CA-O 3.48Å; I36-F240 HydrophobicContact CD1-CD1 4.14Å; I36-F240 HydrophobicContact CD1-CE1 3.49Å; I36-F240 VanDerWaalsContact CD1-CE1 3.49Å; I36-F240 HydrophobicContact CD1-CZ 3.83Å; I36-F240 HydrophobicContact CG1-CD1 3.93Å; I36-F240 HydrophobicContact CG1-CE1 3.8Å; I36-F240 HydrophobicContact CG1-CZ 4.27Å
37	K	92.2	Very high	79.2	Confident	53 Å²	53	44.9 Å²	44.9	23%	0.23	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.5	175.4	-173.4	178.3	176.3	-172	0	110.7	M39 N99 E100 A101 V238 K239	K37-M39 HydrophobicContact CB-SD 4.39Å; K37-M39 HydrophobicContact CD-SD 3.55Å; K37-M39 VanDerWaalsContact CD-SD 3.55Å; K37-M39 VanDerWaalsContact CE-SD 3.59Å; K37-M39 HydrophobicContact CG-SD 3.73Å; K37-N99 WeakPolarHBondContact CE-O 3.48Å; K37-N99 WeakPolarHBondContact CE-OD1 3.35Å; K37-N99 PolarHBondContact NZ-OD1 2.82Å; K37-N99 VanDerWaalsContact NZ-OD1 3.07Å; K37-E100 CarbonylContact C-O 3.42Å; K37-E100 WeakPolarHBondContact CA-O 3.47Å; K37-A101 HydrophobicContact CB-CB 4.07Å; K37-A101 HydrophobicContact CG-CB 4.09Å; K37-V238 CarbonylContact O-C 3.38Å; K37-V238 WeakPolarHBondContact O-CA 3.37Å; K37-K239 HydrophobicContact CB-CB 4.3Å; K37-K239 PolarHBondContact N-O 3.15Å; K37-K239 PolarHBondContact O-N 3.28Å
38	I	92.1	Very high	80.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.2	172.9	-59	172.3	0	0	0	107.2	I67 Y69 T89 F98 N99 E100 F102 F119 L236	I38-I67 HydrophobicContact CD1-CB 4.27Å; I38-I67 HydrophobicContact CD1-CG2 3.94Å; I38-I67 HydrophobicContact CG2-CG1 4.32Å; I38-Y69 HydrophobicContact CD1-CD1 4.13Å; I38-Y69 HydrophobicContact CD1-CE1 4.38Å; I38-T89 HydrophobicContact CD1-CG2 3.52Å; I38-F98 HydrophobicContact CB-CB 4.5Å; I38-F98 HydrophobicContact CG2-CB 3.94Å; I38-F98 HydrophobicContact CG2-CD2 4.16Å; I38-F98 HydrophobicContact CG2-CG 4.13Å; I38-N99 CarbonylContact O-C 3.58Å; I38-N99 WeakPolarHBondContact O-CA 3.39Å; I38-N99 PolarHBondContact O-N 2.97Å; I38-E100 PolarHBondContact N-O 2.93Å; I38-E100 PolarHBondContact O-N 3.36Å; I38-E100 VanDerWaalsContact O-N 3.09Å; I38-F102 HydrophobicContact CD1-CD1 4.33Å; I38-F102 HydrophobicContact CD1-CE1 3.82Å; I38-F102 HydrophobicContact CG1-CE1 3.91Å; I38-F119 HydrophobicContact CD1-CE1 4.14Å; I38-F119 HydrophobicContact CG1-CE1 4.24Å; I38-L236 HydrophobicContact CG2-CD1 3.78Å
39	M	89.7	Confident	82.1	Confident	46 Å²	46	40.7 Å²	40.7	23%	0.227	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-71.4	-170.1	-60.9	-66.7	-62.2	0	0	111	K37 F98 N99 S237 K239	K37-M39 HydrophobicContact CB-SD 4.39Å; K37-M39 HydrophobicContact CD-SD 3.55Å; K37-M39 VanDerWaalsContact CD-SD 3.55Å; K37-M39 VanDerWaalsContact CE-SD 3.59Å; K37-M39 HydrophobicContact CG-SD 3.73Å; M39-F98 PolarHBondContact O-N 3.38Å; M39-N99 PolarHBondContact O-N 3.02Å; M39-S237 WeakPolarHBondContact CB-O 3.48Å; M39-S237 PolarHBondContact N-O 2.97Å; M39-K239 HydrophobicContact CG-CB 4.33Å; M39-K239 HydrophobicContact SD-CB 4.33Å
40	N	89.4	Confident	83.1	Confident	50 Å²	50	39.1 Å²	39.1	27%	0.267	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	169.7	-175.2	64.5	25	0	0	0	111.3	Q96 L236 S237	N40-Q96 CarbonylContact C-O 3.18Å; N40-Q96 WeakPolarHBondContact CA-O 2.94Å; N40-Q96 WeakPolarHBondContact CB-O 3.41Å; N40-L236 WeakPolarHBondContact O-CD1 3.48Å; N40-S237 PolarHBondContact O-N 3.34Å; N40-S237 VanDerWaalsContact OD1-CB 3.25Å; N40-S237 WeakPolarHBondContact OD1-CB 3.01Å
41	I	89.1	Confident	83.2	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	170.7	-172.8	163.8	0	0	0	110.2	F44 Q96 F98 L121 L159 L234 F235	I41-F44 HydrophobicContact CD1-CB 4.44Å; I41-F44 HydrophobicContact CG1-CB 4.49Å; I41-Q96 HydrophobicContact CG2-CB 4.27Å; I41-Q96 HydrophobicContact CG2-CG 4.33Å; I41-Q96 PolarHBondContact N-O 3.34Å; I41-F98 HydrophobicContact CB-CE2 4.27Å; I41-F98 HydrophobicContact CG2-CE2 3.98Å; I41-L121 HydrophobicContact CD1-CD1 3.8Å; I41-L121 HydrophobicContact CD1-CD2 3.39Å; I41-L121 HydrophobicContact CD1-CG 4.16Å; I41-L159 HydrophobicContact CD1-CD1 4.39Å; I41-L234 HydrophobicContact CD1-CD1 3.91Å; I41-L234 HydrophobicContact CD1-CD2 4.12Å; I41-L234 HydrophobicContact CD1-CG 4.01Å; I41-L234 HydrophobicContact CG1-CD1 4.08Å; I41-L234 HydrophobicContact CG1-CG 4.31Å; I41-F235 CarbonylContact C-O 3.6Å; I41-F235 WeakPolarHBondContact CA-O 2.93Å; I41-F235 WeakPolarHBondContact CG1-O 3.34Å
42	T	88	Confident	82.5	Confident	20 Å²	20	40 Å²	40	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.3	178.1	-47.3	0	0	0	0	109.8	K228 L234 F235	T42-K228 HydrophobicContact CG2-CB 4Å; T42-K228 HydrophobicContact CG2-CD 4.4Å; T42-K228 PolarHBondContact OG1-NZ 2.81Å; T42-L234 WeakPolarHBondContact O-CA 3.35Å; T42-F235 PolarHBondContact N-O 3.36Å; T42-F235 PolarHBondContact O-N 3.23Å
43	G	83.7	Confident	81.5	Confident	32 Å²	32	48.7 Å²	48.7	33%	0.33	24%	0.236	S	C	.	.	S	Bend	trans	87.8	1.2	175.4	0	0	0	0	0	115.5
44	F	84	Confident	80.4	Confident	20 Å²	20	49 Å²	49	9%	0.088	26%	0.258	C	S	.	.			trans	-75.7	124.8	174.2	-176	-97.6	0	0	0	110.8	I41 A46 Y49 Y62 L65 L121 I136 L234	I41-F44 HydrophobicContact CD1-CB 4.44Å; I41-F44 HydrophobicContact CG1-CB 4.49Å; F44-A46 HydrophobicContact CE1-CB 4.05Å; F44-Y49 AromaticContact CD2-CE2 3.96Å; F44-Y49 HydrophobicContact CD2-CE2 3.96Å; F44-Y49 AromaticContact CE2-CD2 3.82Å; F44-Y49 HydrophobicContact CE2-CD2 3.82Å; F44-Y49 AromaticContact CE2-CE2 3.62Å; F44-Y49 HydrophobicContact CE2-CE2 3.62Å; F44-Y49 HydrophobicContact CZ-CD2 4.21Å; F44-Y49 HydrophobicContact CZ-CE2 4.42Å; F44-Y62 HydrophobicContact CE2-CD1 4.48Å; F44-Y62 HydrophobicContact CE2-CE1 4.49Å; F44-Y62 AromaticContact CZ-CD1 3.74Å; F44-Y62 HydrophobicContact CZ-CD1 3.74Å; F44-Y62 HydrophobicContact CZ-CE1 4.16Å; F44-Y62 HydrophobicContact CZ-CG 4.47Å; F44-L65 HydrophobicContact CD1-CD1 3.66Å; F44-L65 HydrophobicContact CD2-CD2 4.28Å; F44-L65 HydrophobicContact CE1-CD1 3.69Å; F44-L65 HydrophobicContact CE1-CD2 4.14Å; F44-L65 HydrophobicContact CE1-CG 4.34Å; F44-L65 HydrophobicContact CE2-CD2 3.84Å; F44-L65 HydrophobicContact CG-CD1 4.11Å; F44-L65 HydrophobicContact CZ-CD1 4.19Å; F44-L65 HydrophobicContact CZ-CD2 3.76Å; F44-L65 HydrophobicContact CZ-CG 4.42Å; F44-L121 HydrophobicContact CD2-CD2 4.23Å; F44-I136 HydrophobicContact CE2-CD1 3.84Å; F44-L234 HydrophobicContact CB-CD1 3.73Å; F44-L234 HydrophobicContact CD2-CD1 4.3Å
45	D	79	Confident	79.1	Confident	66 Å²	66	56 Å²	56	35%	0.353	29%	0.29	S	S	.	.			trans	-127.2	111.9	175.4	177.7	4.5	0	0	0	109.5	E47 R48 Y49	D45-E47 PolarHBondContact O-N 3.43Å; D45-E47 WeakPolarHBondContact OD1-CB 3.49Å; D45-E47 PolarHBondContact OD1-N 3.04Å; D45-R48 HydrophobicContact CB-CG 4.05Å; D45-R48 PolarHBondContact O-N 3.4Å; D45-R48 IonicContact OD2-NE 3.02Å; D45-Y49 VanDerWaalsContact O-CD2 3.26Å; D45-Y49 WeakPolarHBondContact O-CD2 3.35Å
46	A	75.8	Confident	78.1	Confident	22 Å²	22	62.2 Å²	62.2	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-62.1	-27.1	-177.7	0	0	0	0	0	113.1	F44 R48 Y49	F44-A46 HydrophobicContact CE1-CB 4.05Å; A46-R48 VanDerWaalsContact C-N 3.32Å; A46-R48 PolarHBondContact O-N 3.03Å; A46-Y49 PolarHBondContact O-N 3.35Å
47	E	74.8	Confident	76.9	Confident	104 Å²	104	63.8 Å²	63.8	49%	0.486	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-68.2	-33	-180	-67.6	-61.6	142.2	0	0	112	D45 Y49 K50	D45-E47 PolarHBondContact O-N 3.43Å; D45-E47 WeakPolarHBondContact OD1-CB 3.49Å; D45-E47 PolarHBondContact OD1-N 3.04Å; E47-Y49 PolarHBondContact O-N 3.45Å; E47-Y49 VanDerWaalsContact O-N 3.17Å; E47-K50 PolarHBondContact O-N 3.31Å; E47-K50 WeakPolarHBondContact OE1-CE 3.39Å; E47-K50 IonicContact OE1-NZ 3.43Å; E47-K50 PolarHBondContact OE1-NZ 2.88Å; E47-K50 WeakPolarHBondContact OE2-CD 3.29Å; E47-K50 WeakPolarHBondContact OE2-CE 3.45Å; E47-K50 IonicContact OE2-NZ 3.36Å; E47-K50 PolarHBondContact OE2-NZ 3.31Å
48	R	73.4	Confident	75.6	Confident	153 Å²	153	65.5 Å²	65.5	58%	0.577	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.3	179.4	-68.4	-176.9	-176.7	-171.5	-3.1	113.2	D45 A46 G232	D45-R48 HydrophobicContact CB-CG 4.05Å; D45-R48 PolarHBondContact O-N 3.4Å; D45-R48 IonicContact OD2-NE 3.02Å; A46-R48 VanDerWaalsContact C-N 3.32Å; A46-R48 PolarHBondContact O-N 3.03Å; R48-G232 PolarHBondContact NH1-O 3.32Å
49	Y	70.5	Confident	74.3	Confident	53 Å²	53	70.5 Å²	70.5	21%	0.208	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-105	5.9	-173.8	-61.4	-84	0	0	0	114.2	F44 D45 A46 E47 V51 Y62 I136	F44-Y49 AromaticContact CD2-CE2 3.96Å; F44-Y49 HydrophobicContact CD2-CE2 3.96Å; F44-Y49 AromaticContact CE2-CD2 3.82Å; F44-Y49 HydrophobicContact CE2-CD2 3.82Å; F44-Y49 AromaticContact CE2-CE2 3.62Å; F44-Y49 HydrophobicContact CE2-CE2 3.62Å; F44-Y49 HydrophobicContact CZ-CD2 4.21Å; F44-Y49 HydrophobicContact CZ-CE2 4.42Å; D45-Y49 VanDerWaalsContact O-CD2 3.26Å; D45-Y49 WeakPolarHBondContact O-CD2 3.35Å; A46-Y49 PolarHBondContact O-N 3.35Å; E47-Y49 PolarHBondContact O-N 3.45Å; E47-Y49 VanDerWaalsContact O-N 3.17Å; Y49-V51 PolarHBondContact O-N 3.43Å; Y49-Y62 WeakPolarHBondContact CB-OH 3.36Å; Y49-Y62 HydrophobicContact CG-CE1 4.2Å; Y49-Y62 HydrophobicContact CG-CE2 4.23Å; Y49-Y62 AromaticContact CG-CZ 3.77Å; Y49-Y62 WeakPolarHBondContact O-CE2 3.42Å; Y49-I136 HydrophobicContact CE1-CG2 3.72Å; Y49-I136 HydrophobicContact CE2-CG2 4.38Å; Y49-I136 WeakPolarHBondContact OH-CG2 3.4Å
50	K	69.7	Low	73	Confident	37 Å²	37	68.3 Å²	68.3	16%	0.161	36%	0.357	C	S	.	.			trans	-68	-7.7	170.6	-70.5	-173.1	-178.5	163.6	0	113.9	E47 Y56 T57	E47-K50 PolarHBondContact O-N 3.31Å; E47-K50 WeakPolarHBondContact OE1-CE 3.39Å; E47-K50 IonicContact OE1-NZ 3.43Å; E47-K50 PolarHBondContact OE1-NZ 2.88Å; E47-K50 WeakPolarHBondContact OE2-CD 3.29Å; E47-K50 WeakPolarHBondContact OE2-CE 3.45Å; E47-K50 IonicContact OE2-NZ 3.36Å; E47-K50 PolarHBondContact OE2-NZ 3.31Å; K50-Y56 HydrophobicContact CB-CD2 3.97Å; K50-Y56 HydrophobicContact CB-CE2 3.64Å; K50-Y56 HydrophobicContact CD-CE2 3.9Å; K50-Y56 HydrophobicContact CG-CE2 4.44Å; K50-T57 PolarHBondContact O-N 3.47Å
51	V	66.2	Low	71.6	Confident	73 Å²	73	70 Å²	70	44%	0.442	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	109.2	175.8	-176.2	0	0	0	0	108.7	Y49 E55 Y56	Y49-V51 PolarHBondContact O-N 3.43Å; V51-E55 WeakPolarHBondContact CA-O 3.27Å; V51-Y56 HydrophobicContact CG2-CD2 4.23Å
52	I	64.2	Low	70.6	Confident	33 Å²	33	70.6 Å²	70.6	17%	0.169	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.7	179	-60	173.2	0	0	0	107.2	G54 E55 A60 Y125	I52-G54 PolarHBondContact O-N 2.96Å; I52-E55 PolarHBondContact N-O 3.3Å; I52-E55 PolarHBondContact O-N 3.46Å; I52-E55 VanDerWaalsContact O-N 3.09Å; I52-A60 HydrophobicContact CD1-CB 3.78Å; I52-Y125 HydrophobicContact CD1-CD2 3.41Å; I52-Y125 VanDerWaalsContact CD1-CD2 3.41Å; I52-Y125 HydrophobicContact CD1-CE2 3.54Å; I52-Y125 HydrophobicContact CD1-CG 4.03Å
53	K	63.6	Low	69.7	Low	196 Å²	196	71 Å²	71	85%	0.852	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.7	-177.9	-60.9	180	178.1	-179.8	0	114	E55	K53-E55 VanDerWaalsContact C-N 3.32Å; K53-E55 PolarHBondContact O-N 2.96Å
54	G	65.8	Low	69.3	Low	69 Å²	69	72.9 Å²	72.9	71%	0.711	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-3.6	179.1	0	0	0	0	0	115.3	I52	I52-G54 PolarHBondContact O-N 2.96Å
55	E	64.5	Low	69.4	Low	146 Å²	146	72 Å²	72	68%	0.682	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.7	175.5	-67.8	-171.4	167.2	0	0	110.9	V51 I52 K53 T57	V51-E55 WeakPolarHBondContact CA-O 3.27Å; I52-E55 PolarHBondContact N-O 3.3Å; I52-E55 PolarHBondContact O-N 3.46Å; I52-E55 VanDerWaalsContact O-N 3.09Å; K53-E55 VanDerWaalsContact C-N 3.32Å; K53-E55 PolarHBondContact O-N 2.96Å; E55-T57 PolarHBondContact O-N 2.99Å; E55-T57 PolarHBondContact O-OG1 3.26Å
56	Y	71.2	Confident	69.8	Low	131 Å²	131	70.9 Å²	70.9	51%	0.514	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	117.5	170.2	179.2	-96	0	0	0	109.4	K50 V51 P58	K50-Y56 HydrophobicContact CB-CD2 3.97Å; K50-Y56 HydrophobicContact CB-CE2 3.64Å; K50-Y56 HydrophobicContact CD-CE2 3.9Å; K50-Y56 HydrophobicContact CG-CE2 4.44Å; V51-Y56 HydrophobicContact CG2-CD2 4.23Å; Y56-P58 HydrophobicContact CD1-CG 4.49Å; Y56-P58 HydrophobicContact CE1-CB 3.87Å; Y56-P58 HydrophobicContact CE1-CG 4.18Å; Y56-P58 WeakPolarHBondContact O-CD 3.3Å
57	T	67.4	Low	70.5	Confident	34 Å²	34	69.9 Å²	69.9	21%	0.209	36%	0.361	C	S	.	.			trans	-112.2	101.6	-179.5	-51	0	0	0	0	108.8	K50 E55 L59 A60	K50-T57 PolarHBondContact O-N 3.47Å; E55-T57 PolarHBondContact O-N 2.99Å; E55-T57 PolarHBondContact O-OG1 3.26Å; T57-L59 HydrophobicContact CG2-CB 4.19Å; T57-L59 PolarHBondContact O-N 3.25Å; T57-L59 VanDerWaalsContact O-N 3.11Å; T57-A60 HydrophobicContact CG2-CB 4.29Å; T57-A60 VanDerWaalsContact O-CB 3.25Å; T57-A60 WeakPolarHBondContact O-CB 3.31Å; T57-A60 PolarHBondContact O-N 3.11Å
58	P	66.5	Low	71.4	Confident	89 Å²	89	65.3 Å²	65.3	58%	0.578	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.5	179.6	17.8	-24.6	0	0	0	113.3	Y56 A60	Y56-P58 HydrophobicContact CD1-CG 4.49Å; Y56-P58 HydrophobicContact CE1-CB 3.87Å; Y56-P58 HydrophobicContact CE1-CG 4.18Å; Y56-P58 WeakPolarHBondContact O-CD 3.3Å; P58-A60 VanDerWaalsContact C-N 3.34Å
59	L	64.1	Low	72.3	Confident	105 Å²	105	59.3 Å²	59.3	55%	0.55	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13	173.5	-66.6	169.9	0	0	0	113.5	T57 C61 T126 K128	T57-L59 HydrophobicContact CG2-CB 4.19Å; T57-L59 PolarHBondContact O-N 3.25Å; T57-L59 VanDerWaalsContact O-N 3.11Å; L59-C61 PolarHBondContact O-N 2.8Å; L59-T126 CarbonylContact C-O 3.51Å; L59-K128 HydrophobicContact CD1-CG 4.37Å
60	A	62.7	Low	73.4	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.			trans	-71.9	79.6	176.2	0	0	0	0	0	109.8	I52 T57 P58 Y62 T126	I52-A60 HydrophobicContact CD1-CB 3.78Å; T57-A60 HydrophobicContact CG2-CB 4.29Å; T57-A60 VanDerWaalsContact O-CB 3.25Å; T57-A60 WeakPolarHBondContact O-CB 3.31Å; T57-A60 PolarHBondContact O-N 3.11Å; P58-A60 VanDerWaalsContact C-N 3.34Å; A60-Y62 PolarHBondContact O-N 2.94Å; A60-T126 WeakPolarHBondContact CA-O 3.45Å
61	C	59.4	Low	74.4	Confident	85 Å²	85	55.4 Å²	55.4	57%	0.574	30%	0.302	S	S	*	.			trans	-76.3	113.6	167.2	-72	0	0	0	0	107.9	L59 G63	L59-C61 PolarHBondContact O-N 2.8Å; C61-G63 PolarHBondContact O-N 2.81Å
62	Y	68.8	Low	75.6	Confident	14 Å²	14	52 Å²	52	6%	0.055	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-63.1	119.8	166.7	-101.5	-103.6	0	0	0	109.4	F44 Y49 A60 S123 Q134 I136	F44-Y62 HydrophobicContact CE2-CD1 4.48Å; F44-Y62 HydrophobicContact CE2-CE1 4.49Å; F44-Y62 AromaticContact CZ-CD1 3.74Å; F44-Y62 HydrophobicContact CZ-CD1 3.74Å; F44-Y62 HydrophobicContact CZ-CE1 4.16Å; F44-Y62 HydrophobicContact CZ-CG 4.47Å; Y49-Y62 WeakPolarHBondContact CB-OH 3.36Å; Y49-Y62 HydrophobicContact CG-CE1 4.2Å; Y49-Y62 HydrophobicContact CG-CE2 4.23Å; Y49-Y62 AromaticContact CG-CZ 3.77Å; Y49-Y62 WeakPolarHBondContact O-CE2 3.42Å; A60-Y62 PolarHBondContact O-N 2.94Å; Y62-S123 WeakPolarHBondContact CD1-OG 3.2Å; Y62-Q134 VanDerWaalsContact OH-CD 3.23Å; Y62-Q134 PolarHBondContact OH-OE1 2.99Å; Y62-I136 HydrophobicContact CE1-CD1 4.01Å; Y62-I136 HydrophobicContact CE1-CG1 4.3Å
63	G	68.1	Low	76.7	Confident	30 Å²	30	55 Å²	55	31%	0.309	29%	0.291	S	S	.	.			trans	-86.8	-154.3	178.1	0	0	0	0	0	112.1	C61 L65 S123 T124	C61-G63 PolarHBondContact O-N 2.81Å; G63-L65 PolarHBondContact O-N 3.34Å; G63-S123 PolarHBondContact O-OG 2.91Å; G63-T124 WeakPolarHBondContact CA-O 3.26Å; G63-T124 WeakPolarHBondContact CA-OG1 3.25Å; G63-T124 PolarHBondContact N-O 3.08Å
64	E	76	Confident	77.6	Confident	71 Å²	71	47.2 Å²	47.2	33%	0.332	26%	0.258	S	S	.	.			trans	-62.8	130.1	-171.5	-61.5	166.5	173.6	0	0	111.5	R66 V91 S123 T124	E64-R66 IonicContact OE2-CZ 3.95Å; E64-R66 IonicContact OE2-NE 3.85Å; E64-R66 IonicContact OE2-NH2 3.1Å; E64-R66 PolarHBondContact OE2-NH2 3.06Å; E64-V91 HydrophobicContact CB-CG1 4.17Å; E64-V91 HydrophobicContact CG-CG1 3.76Å; E64-V91 VanDerWaalsContact OE1-CG1 3.32Å; E64-V91 WeakPolarHBondContact OE1-CG1 3.24Å; E64-V91 WeakPolarHBondContact OE2-CG1 3.33Å; E64-V91 VanDerWaalsContact OE2-CG2 3.28Å; E64-V91 WeakPolarHBondContact OE2-CG2 3.46Å; E64-S123 WeakPolarHBondContact O-CA 3.35Å; E64-S123 PolarHBondContact O-OG 3.02Å; E64-T124 PolarHBondContact N-OG1 3.32Å
65	L	85.1	Confident	78.2	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-83	138.3	173	-72.1	163.7	0	0	0	109.9	F44 G63 R95 F98 L121 I136	F44-L65 HydrophobicContact CD1-CD1 3.66Å; F44-L65 HydrophobicContact CD2-CD2 4.28Å; F44-L65 HydrophobicContact CE1-CD1 3.69Å; F44-L65 HydrophobicContact CE1-CD2 4.14Å; F44-L65 HydrophobicContact CE1-CG 4.34Å; F44-L65 HydrophobicContact CE2-CD2 3.84Å; F44-L65 HydrophobicContact CG-CD1 4.11Å; F44-L65 HydrophobicContact CZ-CD1 4.19Å; F44-L65 HydrophobicContact CZ-CD2 3.76Å; F44-L65 HydrophobicContact CZ-CG 4.42Å; G63-L65 PolarHBondContact O-N 3.34Å; L65-R95 WeakPolarHBondContact CD1-O 3.4Å; L65-F98 HydrophobicContact CB-CZ 4.17Å; L65-L121 HydrophobicContact CB-CD1 4.35Å; L65-L121 HydrophobicContact CD2-CD1 3.88Å; L65-L121 HydrophobicContact CD2-CD2 4.25Å; L65-L121 HydrophobicContact CD2-CG 4.22Å; L65-I136 HydrophobicContact CD2-CD1 3.77Å
66	R	87.8	Confident	78.3	Confident	42 Å²	42	42.5 Å²	42.5	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.1	179.1	-57.7	179.1	-171.4	162.2	2.1	109.7	E64 Q88 S122 E133	E64-R66 IonicContact OE2-CZ 3.95Å; E64-R66 IonicContact OE2-NE 3.85Å; E64-R66 IonicContact OE2-NH2 3.1Å; E64-R66 PolarHBondContact OE2-NH2 3.06Å; R66-Q88 HydrophobicContact CB-CG 3.98Å; R66-S122 PolarHBondContact N-O 2.99Å; R66-S122 PolarHBondContact O-N 2.67Å; R66-S122 VanDerWaalsContact O-O 3.13Å; R66-S122 PolarHBondContact O-OG 3.2Å; R66-E133 IonicContact NH1-OE1 2.75Å
67	I	91.2	Very high	78.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.2	172.3	-60.2	-68	0	0	0	108.1	I38 Q88 T89 F98 F119 L121 L236	I38-I67 HydrophobicContact CD1-CB 4.27Å; I38-I67 HydrophobicContact CD1-CG2 3.94Å; I38-I67 HydrophobicContact CG2-CG1 4.32Å; I67-Q88 WeakPolarHBondContact O-CA 3.43Å; I67-T89 HydrophobicContact CB-CG2 3.85Å; I67-T89 PolarHBondContact N-OG1 3.12Å; I67-T89 PolarHBondContact O-N 3.37Å; I67-F98 HydrophobicContact CD1-CE2 4.37Å; I67-F98 HydrophobicContact CD1-CZ 4.31Å; I67-F98 HydrophobicContact CG1-CD1 4.49Å; I67-F98 HydrophobicContact CG1-CD2 4.35Å; I67-F98 HydrophobicContact CG1-CE1 4.04Å; I67-F98 HydrophobicContact CG1-CE2 3.87Å; I67-F98 HydrophobicContact CG1-CZ 3.71Å; I67-F119 HydrophobicContact CG2-CB 4.31Å; I67-F119 HydrophobicContact CG2-CD1 3.74Å; I67-L121 HydrophobicContact CD1-CB 4.04Å; I67-L121 HydrophobicContact CD1-CD1 3.51Å; I67-L121 HydrophobicContact CD1-CG 4.4Å; I67-L121 HydrophobicContact CG1-CD1 4.48Å; I67-L236 HydrophobicContact CD1-CD1 3.95Å; I67-L236 HydrophobicContact CD1-CD2 4.34Å; I67-L236 HydrophobicContact CG1-CD1 4.18Å; I67-L236 HydrophobicContact CG2-CD2 4.31Å
68	N	92.6	Very high	78.1	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.043	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.6	168.7	-48.8	-81	0	0	0	108.5	W86 S87 Q88 F119 V120 S122 L170	N68-W86 HydrophobicContact CB-CE3 3.7Å; N68-W86 HydrophobicContact CB-CZ3 4.07Å; N68-S87 CarbonylContact C-O 3.58Å; N68-S87 VanDerWaalsContact CA-O 3.24Å; N68-S87 WeakPolarHBondContact CA-O 3.44Å; N68-Q88 WeakPolarHBondContact OD1-CG 3.47Å; N68-Q88 PolarHBondContact OD1-NE2 2.9Å; N68-F119 CarbonylContact O-C 3.53Å; N68-F119 WeakPolarHBondContact O-CA 3.4Å; N68-V120 HydrophobicContact CB-CB 4.36Å; N68-V120 PolarHBondContact N-O 3.02Å; N68-V120 PolarHBondContact ND2-O 2.85Å; N68-V120 PolarHBondContact O-N 3.44Å; N68-S122 WeakPolarHBondContact ND2-CB 3.41Å; N68-S122 PolarHBondContact ND2-OG 3.19Å; N68-L170 HydrophobicContact CB-CD1 4.32Å; N68-L170 HydrophobicContact CB-CD2 4.08Å
69	Y	93.1	Very high	78	Confident	28 Å²	28	44.1 Å²	44.1	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.7	179.5	61.2	-89.3	0	0	0	112.7	I38 S87 F102 C118 F119	I38-Y69 HydrophobicContact CD1-CD1 4.13Å; I38-Y69 HydrophobicContact CD1-CE1 4.38Å; Y69-S87 VanDerWaalsContact CE2-CB 3.45Å; Y69-S87 VanDerWaalsContact CZ-CB 3.41Å; Y69-S87 PolarHBondContact N-O 3.42Å; Y69-S87 PolarHBondContact O-N 3.42Å; Y69-F102 HydrophobicContact CD1-CE1 4.35Å; Y69-F102 HydrophobicContact CD2-CD2 4.13Å; Y69-F102 HydrophobicContact CD2-CE1 4.13Å; Y69-F102 AromaticContact CD2-CE2 3.64Å; Y69-F102 HydrophobicContact CD2-CE2 3.64Å; Y69-F102 AromaticContact CD2-CZ 3.65Å; Y69-F102 HydrophobicContact CD2-CZ 3.65Å; Y69-F102 HydrophobicContact CE1-CD1 4.13Å; Y69-F102 HydrophobicContact CE1-CE1 4.22Å; Y69-F102 HydrophobicContact CE1-CG 4.5Å; Y69-F102 HydrophobicContact CE2-CB 4.46Å; Y69-F102 AromaticContact CE2-CD1 3.97Å; Y69-F102 HydrophobicContact CE2-CD1 3.97Å; Y69-F102 AromaticContact CE2-CD2 3.43Å; Y69-F102 HydrophobicContact CE2-CD2 3.43Å; Y69-F102 VanDerWaalsContact CE2-CD2 3.43Å; Y69-F102 AromaticContact CE2-CE1 4Å; Y69-F102 HydrophobicContact CE2-CE1 4Å; Y69-F102 AromaticContact CE2-CE2 3.45Å; Y69-F102 HydrophobicContact CE2-CE2 3.45Å; Y69-F102 VanDerWaalsContact CE2-CE2 3.45Å; Y69-F102 AromaticContact CE2-CG 3.69Å; Y69-F102 HydrophobicContact CE2-CG 3.69Å; Y69-F102 AromaticContact CE2-CZ 3.74Å; Y69-F102 HydrophobicContact CE2-CZ 3.74Å; Y69-F102 HydrophobicContact CG-CE1 4.31Å; Y69-F102 HydrophobicContact CG-CZ 4.1Å; Y69-F102 AromaticContact CZ-CD1 3.73Å; Y69-F102 AromaticContact CZ-CD2 3.93Å; Y69-F102 AromaticContact CZ-CG 3.66Å; Y69-F102 WeakPolarHBondContact OH-CB 3.2Å; Y69-C118 WeakPolarHBondContact CA-O 3.43Å; Y69-F119 HydrophobicContact CG-CE1 4.42Å
70	C	92.9	Very high	78	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.1	-178.1	57.6	0	0	0	0	110.9	I83 W86 I117 C118	C70-I83 HydrophobicContact CB-CG2 3.48Å; C70-I83 VanDerWaalsContact CB-CG2 3.48Å; C70-I83 WeakPolarHBondContact SG-CG2 3.45Å; C70-W86 HydrophobicContact CB-CD2 4Å; C70-W86 HydrophobicContact CB-CE3 3.95Å; C70-W86 HydrophobicContact CB-CG 4.46Å; C70-W86 HydrophobicContact CB-CZ3 4.31Å; C70-W86 WeakPolarHBondContact SG-CH2 3.16Å; C70-W86 VanDerWaalsContact SG-CZ2 3.59Å; C70-W86 WeakPolarHBondContact SG-CZ3 3.39Å; C70-I117 WeakPolarHBondContact O-CA 3.29Å; C70-I117 WeakPolarHBondContact O-CG1 3.2Å; C70-C118 PolarHBondContact N-O 3.48Å; C70-C118 VanDerWaalsContact N-O 3.15Å; C70-C118 PolarHBondContact O-N 2.66Å
71	I	91.9	Very high	78.3	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.9	173.3	-65.5	-177.5	0	0	0	108.8	I83 T84 L104 P105 L106 G116	I71-I83 WeakPolarHBondContact O-CA 3.12Å; I71-T84 HydrophobicContact CB-CG2 3.8Å; I71-T84 HydrophobicContact CG2-CG2 4.35Å; I71-T84 PolarHBondContact N-OG1 3.01Å; I71-T84 PolarHBondContact O-N 3.4Å; I71-L104 HydrophobicContact CD1-CD2 4.17Å; I71-L104 HydrophobicContact CG1-CD2 4.23Å; I71-P105 HydrophobicContact CD1-CG 3.68Å; I71-L106 HydrophobicContact CD1-CD1 4.05Å; I71-L106 HydrophobicContact CD1-CG 4.24Å; I71-G116 WeakPolarHBondContact CA-O 3.42Å
72	T	91.5	Very high	79.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.9	175.3	59	0	0	0	0	110.8	F82 I83 N115 G116 C118 N140 V177	T72-F82 CarbonylContact C-O 3.48Å; T72-F82 WeakPolarHBondContact CA-O 3.01Å; T72-I83 HydrophobicContact CG2-CG1 4.28Å; T72-N115 WeakPolarHBondContact O-CA 3.34Å; T72-G116 PolarHBondContact N-O 3.06Å; T72-G116 PolarHBondContact O-N 3.35Å; T72-G116 WeakPolarHBondContact OG1-CA 3.43Å; T72-C118 HydrophobicContact CG2-CB 3.69Å; T72-N140 WeakPolarHBondContact CG2-OD1 3.29Å; T72-N140 PolarHBondContact OG1-OD1 3.06Å; T72-V177 HydrophobicContact CG2-CG1 3.83Å; T72-V177 HydrophobicContact CG2-CG2 3.87Å
73	R	87.4	Confident	80	Confident	97 Å²	97	45.7 Å²	45.7	37%	0.366	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	109.9	173.6	-51	-167.7	174.6	173.9	-1.2	109.3	S81 F82 Y114 N115	R73-S81 WeakPolarHBondContact O-CA 3.49Å; R73-F82 HydrophobicContact CB-CB 4.31Å; R73-F82 PolarHBondContact N-O 3.16Å; R73-F82 PolarHBondContact O-N 3.21Å; R73-F82 VanDerWaalsContact O-N 3.17Å; R73-Y114 HydrophobicContact CB-CD2 4.34Å; R73-N115 WeakPolarHBondContact CG-ND2 3.26Å
74	D	81.3	Confident	80.8	Confident	31 Å²	31	46.5 Å²	46.5	17%	0.166	24%	0.239	C	C	.	.			trans	-107.9	79.5	178.2	173.9	34.3	0	0	0	110.1	Y114 K142 R178	D74-Y114 PolarHBondContact N-O 3.34Å; D74-Y114 VanDerWaalsContact N-O 3.08Å; D74-Y114 VanDerWaalsContact O-CB 3.25Å; D74-Y114 WeakPolarHBondContact O-CB 2.82Å; D74-K142 IonicContact OD2-NZ 3.71Å; D74-K142 PolarHBondContact OD2-NZ 3.22Å; D74-K142 VanDerWaalsContact OD2-NZ 3.1Å; D74-R178 IonicContact OD1-CZ 2.95Å; D74-R178 VanDerWaalsContact OD1-CZ 3.25Å; D74-R178 IonicContact OD1-NE 3.01Å; D74-R178 PolarHBondContact OD1-NE 3.04Å; D74-R178 IonicContact OD1-NH2 3.49Å; D74-R178 PolarHBondContact OD1-NH2 2.92Å
75	I	78.4	Confident	81.3	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.082	26%	0.261	C	S	.	.			trans	-77.3	122.4	-173.4	-64.8	170.4	0	0	0	109.2	F77 L78 Y114 R178	I75-F77 HydrophobicContact CG2-CD2 3.48Å; I75-F77 VanDerWaalsContact CG2-CD2 3.48Å; I75-F77 HydrophobicContact CG2-CE1 4.35Å; I75-F77 HydrophobicContact CG2-CE2 3Å; I75-F77 HydrophobicContact CG2-CG 4.31Å; I75-F77 HydrophobicContact CG2-CZ 3.53Å; I75-F77 PolarHBondContact O-N 3.16Å; I75-L78 HydrophobicContact CB-CB 4.3Å; I75-L78 HydrophobicContact CB-CD1 4.06Å; I75-L78 HydrophobicContact CB-CG 4.28Å; I75-L78 HydrophobicContact CD1-CD1 3.78Å; I75-L78 HydrophobicContact CG2-CB 4.4Å; I75-L78 HydrophobicContact CG2-CD1 3.98Å; I75-L78 HydrophobicContact CG2-CG 3.97Å; I75-L78 PolarHBondContact O-N 3.12Å; I75-L78 VanDerWaalsContact O-N 3.16Å; I75-Y114 HydrophobicContact CD1-CE2 4.33Å; I75-Y114 HydrophobicContact CG1-CD2 3.84Å; I75-Y114 HydrophobicContact CG1-CE2 3.9Å; I75-Y114 HydrophobicContact CG1-CG 4.16Å; I75-R178 PolarHBondContact O-NH2 2.73Å; I75-R178 VanDerWaalsContact O-NH2 3.16Å
76	P	66.1	Low	81.4	Confident	101 Å²	101	53.2 Å²	53.2	66%	0.656	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.4	-167.7	-28.5	35	0	0	0	117.3
77	F	68.7	Low	81.5	Confident	125 Å²	125	54 Å²	54	55%	0.548	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-1.1	-174.2	30	-97	0	0	0	113.7	I75 D269	I75-F77 HydrophobicContact CG2-CD2 3.48Å; I75-F77 VanDerWaalsContact CG2-CD2 3.48Å; I75-F77 HydrophobicContact CG2-CE1 4.35Å; I75-F77 HydrophobicContact CG2-CE2 3Å; I75-F77 HydrophobicContact CG2-CG 4.31Å; I75-F77 HydrophobicContact CG2-CZ 3.53Å; I75-F77 PolarHBondContact O-N 3.16Å; F77-D269 HydrophobicContact CE2-CB 4.01Å; F77-D269 WeakPolarHBondContact CE2-OD1 3.49Å; F77-D269 WeakPolarHBondContact CE2-OD2 3.39Å; F77-D269 WeakPolarHBondContact CZ-OD1 3.09Å; F77-D269 WeakPolarHBondContact CZ-OD2 3.48Å
78	L	65.8	Low	81.3	Confident	62 Å²	62	57.5 Å²	57.5	33%	0.325	30%	0.3	S	S	.	.			trans	-97.1	144	169.9	-64.6	177.2	0	0	0	109.4	I75 N80 F82 R178	I75-L78 HydrophobicContact CB-CB 4.3Å; I75-L78 HydrophobicContact CB-CD1 4.06Å; I75-L78 HydrophobicContact CB-CG 4.28Å; I75-L78 HydrophobicContact CD1-CD1 3.78Å; I75-L78 HydrophobicContact CG2-CB 4.4Å; I75-L78 HydrophobicContact CG2-CD1 3.98Å; I75-L78 HydrophobicContact CG2-CG 3.97Å; I75-L78 PolarHBondContact O-N 3.12Å; I75-L78 VanDerWaalsContact O-N 3.16Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-F82 HydrophobicContact CD1-CE2 3.81Å; L78-F82 HydrophobicContact CD1-CZ 4.41Å; L78-R178 VanDerWaalsContact O-CZ 3.25Å; L78-R178 PolarHBondContact O-NH1 3.14Å; L78-R178 PolarHBondContact O-NH2 2.8Å
79	S	64.3	Low	80.9	Confident	100 Å²	100	57.4 Å²	57.4	70%	0.699	30%	0.3	S	S	*	.	S	Bend	trans	-72.6	-23	175.1	56.9	0	0	0	0	112.7	R178	S79-R178 PolarHBondContact O-NH1 2.87Å
80	N	65.1	Low	80	Confident	98 Å²	98	63.7 Å²	63.7	52%	0.524	33%	0.33	S	S	.	.	S	Bend	trans	-104.4	143.5	-173.8	-59.7	-0.5	0	0	0	110.4	L78	L78-N80 VanDerWaalsContact C-N 3.28Å
81	S	69	Low	78.5	Confident	7 Å²	7	66.8 Å²	66.8	5%	0.049	35%	0.349	C	S	.	.			trans	-86.9	155.6	159.5	-75	0	0	0	0	109.5	R73 E174 R178	R73-S81 WeakPolarHBondContact O-CA 3.49Å; S81-E174 VanDerWaalsContact O-OE1 3.05Å; S81-R178 VanDerWaalsContact OG-CD 3.31Å; S81-R178 WeakPolarHBondContact OG-CD 3.49Å; S81-R178 WeakPolarHBondContact OG-CG 3.48Å
82	F	79.5	Confident	77	Confident	98 Å²	98	67.7 Å²	67.7	43%	0.43	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.8	171.6	-58.2	-88.6	0	0	0	109.2	T72 R73 L78	T72-F82 CarbonylContact C-O 3.48Å; T72-F82 WeakPolarHBondContact CA-O 3.01Å; R73-F82 HydrophobicContact CB-CB 4.31Å; R73-F82 PolarHBondContact N-O 3.16Å; R73-F82 PolarHBondContact O-N 3.21Å; R73-F82 VanDerWaalsContact O-N 3.17Å; L78-F82 HydrophobicContact CD1-CE2 3.81Å; L78-F82 HydrophobicContact CD1-CZ 4.41Å
83	I	83.6	Confident	75.3	Confident	35 Å²	35	75 Å²	75	18%	0.179	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.3	171.9	-52.4	-168.9	0	0	0	109.5	C70 I71 T72 W86 E174 V177	C70-I83 HydrophobicContact CB-CG2 3.48Å; C70-I83 VanDerWaalsContact CB-CG2 3.48Å; C70-I83 WeakPolarHBondContact SG-CG2 3.45Å; I71-I83 WeakPolarHBondContact O-CA 3.12Å; T72-I83 HydrophobicContact CG2-CG1 4.28Å; I83-W86 HydrophobicContact CD1-CZ2 4.31Å; I83-E174 VanDerWaalsContact CD1-CA 3.49Å; I83-E174 HydrophobicContact CD1-CB 3.79Å; I83-E174 HydrophobicContact CD1-CG 4.27Å; I83-E174 HydrophobicContact CG1-CB 4.17Å; I83-E174 HydrophobicContact CG1-CG 4.1Å; I83-V177 HydrophobicContact CD1-CG2 3.7Å; I83-V177 HydrophobicContact CG1-CG2 4.17Å
84	T	85	Confident	74	Confident	47 Å²	47	76.3 Å²	76.3	29%	0.288	41%	0.406	S	S	.	.			trans	-74.5	178.6	168.5	63.8	0	0	0	0	112.1	I71 W86	I71-T84 HydrophobicContact CB-CG2 3.8Å; I71-T84 HydrophobicContact CG2-CG2 4.35Å; I71-T84 PolarHBondContact N-OG1 3.01Å; I71-T84 PolarHBondContact O-N 3.4Å; T84-W86 PolarHBondContact O-N 2.93Å
85	N	86.2	Confident	73.2	Confident	148 Å²	148	82.3 Å²	82.3	79%	0.791	43%	0.427	S	S	*	.			trans	-56.5	142.4	169.6	-66.8	-13.7	0	0	0	111.3
86	W	89	Confident	72.7	Confident	66 Å²	66	86.5 Å²	86.5	25%	0.25	45%	0.446	C	S	.	.			trans	-74	135.4	175.1	-70.3	92	0	0	0	110.7	N68 C70 I83 T84 V120 L170 V173	N68-W86 HydrophobicContact CB-CE3 3.7Å; N68-W86 HydrophobicContact CB-CZ3 4.07Å; C70-W86 HydrophobicContact CB-CD2 4Å; C70-W86 HydrophobicContact CB-CE3 3.95Å; C70-W86 HydrophobicContact CB-CG 4.46Å; C70-W86 HydrophobicContact CB-CZ3 4.31Å; C70-W86 WeakPolarHBondContact SG-CH2 3.16Å; C70-W86 VanDerWaalsContact SG-CZ2 3.59Å; C70-W86 WeakPolarHBondContact SG-CZ3 3.39Å; I83-W86 HydrophobicContact CD1-CZ2 4.31Å; T84-W86 PolarHBondContact O-N 2.93Å; W86-V120 HydrophobicContact CH2-CB 4.36Å; W86-V120 HydrophobicContact CH2-CG2 3.54Å; W86-V120 HydrophobicContact CZ3-CB 4.13Å; W86-V120 HydrophobicContact CZ3-CG2 3.75Å; W86-L170 HydrophobicContact CB-CD1 4.26Å; W86-L170 HydrophobicContact CD2-CB 4.22Å; W86-L170 HydrophobicContact CD2-CD1 4.09Å; W86-L170 HydrophobicContact CD2-CD2 4.12Å; W86-L170 HydrophobicContact CD2-CG 4.38Å; W86-L170 HydrophobicContact CE3-CD1 4.48Å; W86-L170 HydrophobicContact CE3-CD2 4.07Å; W86-L170 HydrophobicContact CG-CB 4.36Å; W86-L170 HydrophobicContact CG-CD1 3.98Å; W86-L170 HydrophobicContact CH2-CD2 4.13Å; W86-L170 HydrophobicContact CZ2-CB 4.26Å; W86-L170 HydrophobicContact CZ2-CD2 4.2Å; W86-L170 HydrophobicContact CZ3-CD2 4.07Å; W86-V173 HydrophobicContact CH2-CB 4.29Å; W86-V173 HydrophobicContact CH2-CG1 4.07Å; W86-V173 HydrophobicContact CH2-CG2 4.39Å; W86-V173 HydrophobicContact CZ2-CB 4Å; W86-V173 HydrophobicContact CZ2-CG1 4.2Å; W86-V173 HydrophobicContact CZ2-CG2 4.29Å
87	S	88.2	Confident	73.1	Confident	57 Å²	57	86.1 Å²	86.1	40%	0.399	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	157	167.4	-59.6	0	0	0	0	108.8	N68 Y69	N68-S87 CarbonylContact C-O 3.58Å; N68-S87 VanDerWaalsContact CA-O 3.24Å; N68-S87 WeakPolarHBondContact CA-O 3.44Å; Y69-S87 VanDerWaalsContact CE2-CB 3.45Å; Y69-S87 VanDerWaalsContact CZ-CB 3.41Å; Y69-S87 PolarHBondContact N-O 3.42Å; Y69-S87 PolarHBondContact O-N 3.42Å
88	Q	87.4	Confident	73.7	Confident	75 Å²	75	81.2 Å²	81.2	35%	0.35	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.1	-175.7	-171.2	174.3	40.1	0	0	110	R66 I67 N68	R66-Q88 HydrophobicContact CB-CG 3.98Å; I67-Q88 WeakPolarHBondContact O-CA 3.43Å; N68-Q88 WeakPolarHBondContact OD1-CG 3.47Å; N68-Q88 PolarHBondContact OD1-NE2 2.9Å
89	T	84.7	Confident	74.5	Confident	6 Å²	6	81.9 Å²	81.9	4%	0.037	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-64.7	154.2	172.8	55.7	0	0	0	0	111.8	I38 I67 F98 E100	I38-T89 HydrophobicContact CD1-CG2 3.52Å; I67-T89 HydrophobicContact CB-CG2 3.85Å; I67-T89 PolarHBondContact N-OG1 3.12Å; I67-T89 PolarHBondContact O-N 3.37Å; T89-F98 HydrophobicContact CG2-CD1 4.34Å; T89-E100 WeakPolarHBondContact CA-OE2 3.34Å; T89-E100 WeakPolarHBondContact CB-OE2 3.21Å
90	Q	74	Confident	75.6	Confident	159 Å²	159	79.3 Å²	79.3	74%	0.743	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-61	152.8	169.2	-65.7	-168.8	-5.3	0	0	111.1	N92 E100	Q90-N92 PolarHBondContact O-N 3.25Å; Q90-E100 PolarHBondContact N-OE2 2.88Å
91	V	62.2	Low	76.7	Confident	68 Å²	68	76.2 Å²	76.2	41%	0.412	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-58.7	125.2	179.2	168.3	0	0	0	0	110	E64	E64-V91 HydrophobicContact CB-CG1 4.17Å; E64-V91 HydrophobicContact CG-CG1 3.76Å; E64-V91 VanDerWaalsContact OE1-CG1 3.32Å; E64-V91 WeakPolarHBondContact OE1-CG1 3.24Å; E64-V91 WeakPolarHBondContact OE2-CG1 3.33Å; E64-V91 VanDerWaalsContact OE2-CG2 3.28Å; E64-V91 WeakPolarHBondContact OE2-CG2 3.46Å
92	N	59.3	Low	77.8	Confident	24 Å²	24	76.6 Å²	76.6	13%	0.128	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-105.9	114.2	-179.6	-164.9	-1.7	0	0	0	111.8	Q90 D94 L97 F98	Q90-N92 PolarHBondContact O-N 3.25Å; N92-D94 PolarHBondContact ND2-O 3.31Å; N92-D94 PolarHBondContact OD1-N 3.19Å; N92-D94 PolarHBondContact OD1-O 3.44Å; N92-D94 VanDerWaalsContact OD1-O 3.08Å; N92-L97 PolarHBondContact ND2-N 3.25Å; N92-L97 PolarHBondContact ND2-O 2.91Å; N92-F98 HydrophobicContact CB-CD1 4.18Å; N92-F98 HydrophobicContact CB-CE1 4.23Å; N92-F98 WeakPolarHBondContact ND2-CA 3.5Å; N92-F98 PolarHBondContact ND2-N 3.28Å
93	L	55.8	Low	78.3	Confident	156 Å²	156	74.8 Å²	74.8	82%	0.817	38%	0.381	S	S	*	.	S	Bend	trans	-72.4	-35.3	173.6	-77.6	150.7	0	0	0	111.4	R95	L93-R95 PolarHBondContact O-N 2.86Å; L93-R95 VanDerWaalsContact O-N 3.13Å
94	D	61.4	Low	78.6	Confident	123 Å²	123	73.3 Å²	73.3	66%	0.658	37%	0.373	S	S	*	.	S	Bend	trans	-85.2	85.8	174.9	-76.8	-24.1	0	0	0	108.5	N92 Q96 L97	N92-D94 PolarHBondContact ND2-O 3.31Å; N92-D94 PolarHBondContact OD1-N 3.19Å; N92-D94 PolarHBondContact OD1-O 3.44Å; N92-D94 VanDerWaalsContact OD1-O 3.08Å; D94-Q96 PolarHBondContact O-N 3.26Å; D94-L97 PolarHBondContact O-N 3.47Å
95	R	63.1	Low	78.6	Confident	158 Å²	158	75.4 Å²	75.4	60%	0.596	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39	-12.6	-168	-64.3	-177.8	176.6	-171.6	-4.2	118.3	L65 L93	L65-R95 WeakPolarHBondContact CD1-O 3.4Å; L93-R95 PolarHBondContact O-N 2.86Å; L93-R95 VanDerWaalsContact O-N 3.13Å
96	Q	68.6	Low	78.6	Confident	103 Å²	103	70.1 Å²	70.1	48%	0.481	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-8	-177.9	-66.5	-178.4	-8.5	0	0	115.6	N40 I41 D94	N40-Q96 CarbonylContact C-O 3.18Å; N40-Q96 WeakPolarHBondContact CA-O 2.94Å; N40-Q96 WeakPolarHBondContact CB-O 3.41Å; I41-Q96 HydrophobicContact CG2-CB 4.27Å; I41-Q96 HydrophobicContact CG2-CG 4.33Å; I41-Q96 PolarHBondContact N-O 3.34Å; D94-Q96 PolarHBondContact O-N 3.26Å
97	L	74.5	Confident	78.7	Confident	94 Å²	94	67.5 Å²	67.5	49%	0.492	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	87.8	-164.1	-142.1	148.6	0	0	0	111.7	N92 D94 N99	N92-L97 PolarHBondContact ND2-N 3.25Å; N92-L97 PolarHBondContact ND2-O 2.91Å; D94-L97 PolarHBondContact O-N 3.47Å; L97-N99 HydrophobicContact CD2-CB 4.21Å; L97-N99 WeakPolarHBondContact CD2-ND2 3.31Å
98	F	80.3	Confident	78.7	Confident	22 Å²	22	65 Å²	65	10%	0.096	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-49.3	-173.4	-66.9	-86.7	0	0	0	112.4	I38 M39 I41 L65 I67 T89 N92 E100	I38-F98 HydrophobicContact CB-CB 4.5Å; I38-F98 HydrophobicContact CG2-CB 3.94Å; I38-F98 HydrophobicContact CG2-CD2 4.16Å; I38-F98 HydrophobicContact CG2-CG 4.13Å; M39-F98 PolarHBondContact O-N 3.38Å; I41-F98 HydrophobicContact CB-CE2 4.27Å; I41-F98 HydrophobicContact CG2-CE2 3.98Å; L65-F98 HydrophobicContact CB-CZ 4.17Å; I67-F98 HydrophobicContact CD1-CE2 4.37Å; I67-F98 HydrophobicContact CD1-CZ 4.31Å; I67-F98 HydrophobicContact CG1-CD1 4.49Å; I67-F98 HydrophobicContact CG1-CD2 4.35Å; I67-F98 HydrophobicContact CG1-CE1 4.04Å; I67-F98 HydrophobicContact CG1-CE2 3.87Å; I67-F98 HydrophobicContact CG1-CZ 3.71Å; T89-F98 HydrophobicContact CG2-CD1 4.34Å; N92-F98 HydrophobicContact CB-CD1 4.18Å; N92-F98 HydrophobicContact CB-CE1 4.23Å; N92-F98 WeakPolarHBondContact ND2-CA 3.5Å; N92-F98 PolarHBondContact ND2-N 3.28Å; F98-E100 PolarHBondContact O-N 3.31Å
99	N	83	Confident	78.6	Confident	76 Å²	76	64.1 Å²	64.1	41%	0.406	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.9	26.7	-178.8	-106	-21.6	0	0	0	115.9	K37 I38 M39 L97	K37-N99 WeakPolarHBondContact CE-O 3.48Å; K37-N99 WeakPolarHBondContact CE-OD1 3.35Å; K37-N99 PolarHBondContact NZ-OD1 2.82Å; K37-N99 VanDerWaalsContact NZ-OD1 3.07Å; I38-N99 CarbonylContact O-C 3.58Å; I38-N99 WeakPolarHBondContact O-CA 3.39Å; I38-N99 PolarHBondContact O-N 2.97Å; M39-N99 PolarHBondContact O-N 3.02Å; L97-N99 HydrophobicContact CD2-CB 4.21Å; L97-N99 WeakPolarHBondContact CD2-ND2 3.31Å
100	E	87.1	Confident	78.7	Confident	46 Å²	46	65.6 Å²	65.6	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132	-176.2	-171.3	179.3	154.5	0	0	111.5	K37 I38 T89 Q90 F98	K37-E100 CarbonylContact C-O 3.42Å; K37-E100 WeakPolarHBondContact CA-O 3.47Å; I38-E100 PolarHBondContact N-O 2.93Å; I38-E100 PolarHBondContact O-N 3.36Å; I38-E100 VanDerWaalsContact O-N 3.09Å; T89-E100 WeakPolarHBondContact CA-OE2 3.34Å; T89-E100 WeakPolarHBondContact CB-OE2 3.21Å; Q90-E100 PolarHBondContact N-OE2 2.88Å; F98-E100 PolarHBondContact O-N 3.31Å
101	A	89.3	Confident	79.4	Confident	32 Å²	32	58 Å²	58	26%	0.264	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.1	176	0	0	0	0	0	111.2	I36 K37 R244	I36-A101 WeakPolarHBondContact O-CA 3.17Å; K37-A101 HydrophobicContact CB-CB 4.07Å; K37-A101 HydrophobicContact CG-CB 4.09Å; A101-R244 PolarHBondContact O-NH1 3.33Å; A101-R244 PolarHBondContact O-NH2 2.95Å
102	F	91.1	Very high	80.6	Confident	15 Å²	15	58.6 Å²	58.6	7%	0.066	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.3	174.4	66.6	-87.6	0	0	0	110.2	C35 I36 I38 Y69 L104 I117 F119	C35-F102 PolarHBondContact SG-O 2.89Å; I36-F102 HydrophobicContact CB-CE1 3.96Å; I36-F102 HydrophobicContact CB-CE2 4.09Å; I36-F102 HydrophobicContact CB-CZ 3.67Å; I36-F102 HydrophobicContact CD1-CE2 4.3Å; I36-F102 HydrophobicContact CD1-CZ 4.18Å; I36-F102 HydrophobicContact CG1-CZ 4.45Å; I36-F102 HydrophobicContact CG2-CE1 3.99Å; I36-F102 HydrophobicContact CG2-CZ 3.88Å; I36-F102 PolarHBondContact N-O 3.45Å; I36-F102 WeakPolarHBondContact O-CD1 3.35Å; I36-F102 PolarHBondContact O-N 3.01Å; I38-F102 HydrophobicContact CD1-CD1 4.33Å; I38-F102 HydrophobicContact CD1-CE1 3.82Å; I38-F102 HydrophobicContact CG1-CE1 3.91Å; Y69-F102 HydrophobicContact CD1-CE1 4.35Å; Y69-F102 HydrophobicContact CD2-CD2 4.13Å; Y69-F102 HydrophobicContact CD2-CE1 4.13Å; Y69-F102 AromaticContact CD2-CE2 3.64Å; Y69-F102 HydrophobicContact CD2-CE2 3.64Å; Y69-F102 AromaticContact CD2-CZ 3.65Å; Y69-F102 HydrophobicContact CD2-CZ 3.65Å; Y69-F102 HydrophobicContact CE1-CD1 4.13Å; Y69-F102 HydrophobicContact CE1-CE1 4.22Å; Y69-F102 HydrophobicContact CE1-CG 4.5Å; Y69-F102 HydrophobicContact CE2-CB 4.46Å; Y69-F102 AromaticContact CE2-CD1 3.97Å; Y69-F102 HydrophobicContact CE2-CD1 3.97Å; Y69-F102 AromaticContact CE2-CD2 3.43Å; Y69-F102 HydrophobicContact CE2-CD2 3.43Å; Y69-F102 VanDerWaalsContact CE2-CD2 3.43Å; Y69-F102 AromaticContact CE2-CE1 4Å; Y69-F102 HydrophobicContact CE2-CE1 4Å; Y69-F102 AromaticContact CE2-CE2 3.45Å; Y69-F102 HydrophobicContact CE2-CE2 3.45Å; Y69-F102 VanDerWaalsContact CE2-CE2 3.45Å; Y69-F102 AromaticContact CE2-CG 3.69Å; Y69-F102 HydrophobicContact CE2-CG 3.69Å; Y69-F102 AromaticContact CE2-CZ 3.74Å; Y69-F102 HydrophobicContact CE2-CZ 3.74Å; Y69-F102 HydrophobicContact CG-CE1 4.31Å; Y69-F102 HydrophobicContact CG-CZ 4.1Å; Y69-F102 AromaticContact CZ-CD1 3.73Å; Y69-F102 AromaticContact CZ-CD2 3.93Å; Y69-F102 AromaticContact CZ-CG 3.66Å; Y69-F102 WeakPolarHBondContact OH-CB 3.2Å; F102-L104 HydrophobicContact CE2-CD2 4.02Å; F102-I117 HydrophobicContact CE2-CD1 3.98Å; F102-I117 HydrophobicContact CZ-CD1 3.72Å; F102-F119 HydrophobicContact CE1-CE1 4.39Å; F102-F119 HydrophobicContact CZ-CE1 4.21Å; F102-F119 HydrophobicContact CZ-CZ 4.43Å
103	D	90.2	Very high	82	Confident	61 Å²	61	59.3 Å²	59.3	33%	0.326	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.3	173.8	-62.9	-5.2	0	0	0	107.8	P34 C35 R244	P34-D103 WeakPolarHBondContact O-CA 3.07Å; C35-D103 PolarHBondContact SG-OD1 3.22Å; D103-R244 WeakPolarHBondContact OD1-CB 3.4Å; D103-R244 IonicContact OD1-CZ 3.8Å; D103-R244 IonicContact OD1-NE 2.73Å; D103-R244 PolarHBondContact OD1-NE 3.16Å; D103-R244 IonicContact OD1-NH2 2.68Å; D103-R244 PolarHBondContact OD1-NH2 2.8Å; D103-R244 IonicContact OD2-NE 3.68Å; D103-R244 PolarHBondContact OD2-NE 3.39Å
104	L	90	Very high	83.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	28%	0.276	C	S	.	.			trans	-62	139	174	-69.9	-179.2	0	0	0	109	Y33 P34 I36 I71 F102 L106 L111 I117 L143 F150	Y33-L104 WeakPolarHBondContact CD1-O 3.46Å; P34-L104 HydrophobicContact CB-CD1 4Å; P34-L104 HydrophobicContact CB-CG 4.45Å; P34-L104 HydrophobicContact CG-CD1 4.08Å; P34-L104 PolarHBondContact O-N 3.49Å; I36-L104 HydrophobicContact CD1-CD1 4.34Å; I36-L104 HydrophobicContact CD1-CD2 3.83Å; I36-L104 HydrophobicContact CD1-CG 4.17Å; I71-L104 HydrophobicContact CD1-CD2 4.17Å; I71-L104 HydrophobicContact CG1-CD2 4.23Å; F102-L104 HydrophobicContact CE2-CD2 4.02Å; L104-L106 PolarHBondContact O-N 3.06Å; L104-L111 HydrophobicContact CD1-CD1 4.1Å; L104-I117 HydrophobicContact CD2-CD1 4.13Å; L104-L143 HydrophobicContact CD1-CD1 3.85Å; L104-L143 HydrophobicContact CD1-CD2 4.05Å; L104-F150 HydrophobicContact CD1-CE2 4.42Å; L104-F150 HydrophobicContact CD1-CZ 4.09Å
105	P	85.4	Confident	85	Confident	92 Å²	92	48.1 Å²	48.1	60%	0.597	25%	0.245	S	C	*	.	S	Bend	trans	-67.5	-0.3	177.4	27.6	-38	0	0	0	114	I71	I71-P105 HydrophobicContact CD1-CG 3.68Å
106	L	86.6	Confident	86.4	Confident	36 Å²	36	40.6 Å²	40.6	19%	0.188	22%	0.217	C	C	.	.	S	Bend	trans	-121.3	127.2	178.3	-64.2	175.8	0	0	0	109.8	P34 I71 L104 A110 L111	P34-L106 WeakPolarHBondContact CD-O 3.4Å; I71-L106 HydrophobicContact CD1-CD1 4.05Å; I71-L106 HydrophobicContact CD1-CG 4.24Å; L104-L106 PolarHBondContact O-N 3.06Å; L106-A110 HydrophobicContact CB-CB 4.38Å; L106-A110 HydrophobicContact CD2-CB 4.35Å; L106-L111 HydrophobicContact CB-CD2 3.79Å; L106-L111 HydrophobicContact CB-CG 4Å; L106-L111 HydrophobicContact CD1-CD2 3.98Å
107	P	89.8	Confident	87.6	Confident	12 Å²	12	35.8 Å²	35.8	8%	0.078	20%	0.195	C	C	.	.			trans	-69.3	164.4	173.4	31.6	-37.9	0	0	0	111.8	L31 I32 Y33 N109 A110 L111	L31-P107 HydrophobicContact CB-CB 3.99Å; L31-P107 HydrophobicContact CB-CG 4.42Å; L31-P107 HydrophobicContact CD1-CG 4.21Å; L31-P107 HydrophobicContact CD2-CB 4.17Å; L31-P107 HydrophobicContact CD2-CG 4.06Å; L31-P107 HydrophobicContact CG-CB 4.49Å; L31-P107 HydrophobicContact CG-CG 4.46Å; I32-P107 WeakPolarHBondContact O-CA 3.46Å; I32-P107 WeakPolarHBondContact O-CB 3.38Å; Y33-P107 HydrophobicContact CD1-CB 4.12Å; Y33-P107 HydrophobicContact CE1-CB 4.07Å; Y33-P107 HydrophobicContact CE1-CG 4.25Å; P107-N109 WeakPolarHBondContact CG-OD1 3.46Å; P107-N109 PolarHBondContact O-N 3.07Å; P107-N109 VanDerWaalsContact O-N 3.15Å; P107-A110 HydrophobicContact CG-CB 3.85Å; P107-A110 PolarHBondContact O-N 2.64Å; P107-L111 PolarHBondContact O-N 3.13Å
108	Y	89.5	Confident	88.6	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.016	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-51.5	-40.4	179.4	-79.1	-74.5	0	0	0	113.5	S11 V14 I32 P34 A110 L111 F150 F242 V253	S11-Y108 CarbonylContact O-C 3.5Å; V14-Y108 HydrophobicContact CB-CD2 4.27Å; V14-Y108 HydrophobicContact CB-CG 4.22Å; V14-Y108 HydrophobicContact CG1-CD2 3.58Å; V14-Y108 HydrophobicContact CG1-CE2 4.3Å; V14-Y108 HydrophobicContact CG1-CG 4.02Å; I32-Y108 HydrophobicContact CB-CD2 4.37Å; I32-Y108 HydrophobicContact CG2-CD2 4.06Å; I32-Y108 HydrophobicContact CG2-CE2 4.02Å; I32-Y108 WeakPolarHBondContact O-CD2 3.44Å; I32-Y108 PolarHBondContact O-N 3.47Å; P34-Y108 HydrophobicContact CB-CE1 4.16Å; P34-Y108 HydrophobicContact CB-CE2 4.22Å; P34-Y108 HydrophobicContact CG-CD1 3.92Å; P34-Y108 HydrophobicContact CG-CD2 4.05Å; P34-Y108 HydrophobicContact CG-CE1 3.69Å; P34-Y108 HydrophobicContact CG-CE2 3.83Å; P34-Y108 HydrophobicContact CG-CG 4.1Å; Y108-A110 VanDerWaalsContact C-N 3.27Å; Y108-A110 PolarHBondContact O-N 3.13Å; Y108-L111 PolarHBondContact O-N 2.68Å; Y108-F150 HydrophobicContact CD1-CD2 4.43Å; Y108-F150 HydrophobicContact CD1-CG 4.42Å; Y108-F150 HydrophobicContact CE1-CB 4.17Å; Y108-F150 AromaticContact CE1-CD1 3.72Å; Y108-F150 HydrophobicContact CE1-CD1 3.72Å; Y108-F150 HydrophobicContact CE1-CD2 4.06Å; Y108-F150 HydrophobicContact CE1-CE1 4.1Å; Y108-F150 HydrophobicContact CE1-CE2 4.4Å; Y108-F150 AromaticContact CE1-CG 3.71Å; Y108-F150 HydrophobicContact CE1-CG 3.71Å; Y108-F150 HydrophobicContact CE1-CZ 4.43Å; Y108-F242 HydrophobicContact CD2-CE2 4.36Å; Y108-F242 AromaticContact CE2-CD2 3.95Å; Y108-F242 HydrophobicContact CE2-CD2 3.95Å; Y108-F242 AromaticContact CE2-CE2 3.65Å; Y108-F242 HydrophobicContact CE2-CE2 3.65Å; Y108-F242 HydrophobicContact CE2-CZ 4.22Å; Y108-F242 VanDerWaalsContact CE2-O 3.29Å; Y108-F242 WeakPolarHBondContact CE2-O 3.47Å; Y108-F242 AromaticContact CZ-CD2 3.94Å; Y108-F242 AromaticContact CZ-CE2 3.99Å; Y108-F242 PolarHBondContact OH-O 3.11Å; Y108-V253 HydrophobicContact CD1-CB 4Å; Y108-V253 HydrophobicContact CD1-CG1 3.69Å; Y108-V253 HydrophobicContact CD1-CG2 3.93Å; Y108-V253 HydrophobicContact CE1-CB 3.94Å; Y108-V253 HydrophobicContact CE1-CG1 4.17Å; Y108-V253 HydrophobicContact CE1-CG2 3.71Å; Y108-V253 HydrophobicContact CG-CG1 4.33Å; Y108-V253 HydrophobicContact CG-CG2 4.42Å
109	N	85.5	Confident	89.3	Confident	56 Å²	56	30.3 Å²	30.3	30%	0.299	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-69.7	-20.5	-179.6	65.9	3.8	0	0	0	113.7	S11 L31 P107 R257	S11-N109 WeakPolarHBondContact O-CA 3.34Å; S11-N109 PolarHBondContact O-N 3.48Å; L31-N109 WeakPolarHBondContact CD2-ND2 3.37Å; P107-N109 WeakPolarHBondContact CG-OD1 3.46Å; P107-N109 PolarHBondContact O-N 3.07Å; P107-N109 VanDerWaalsContact O-N 3.15Å; N109-R257 PolarHBondContact O-NH1 2.93Å; N109-R257 PolarHBondContact O-NH2 3.32Å
110	A	86.1	Confident	89.8	Confident	38 Å²	38	26.7 Å²	26.7	31%	0.314	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-93.5	-14.3	175.9	0	0	0	0	0	113.2	L106 P107 Y108	L106-A110 HydrophobicContact CB-CB 4.38Å; L106-A110 HydrophobicContact CD2-CB 4.35Å; P107-A110 HydrophobicContact CG-CB 3.85Å; P107-A110 PolarHBondContact O-N 2.64Å; Y108-A110 VanDerWaalsContact C-N 3.27Å; Y108-A110 PolarHBondContact O-N 3.13Å
111	L	88	Confident	90.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.			trans	-82.1	129	179.4	-72.8	171	0	0	0	111.7	P34 L104 L106 P107 Y108 N115 L143 Y144 F150 R257	P34-L111 HydrophobicContact CG-CD1 3.62Å; L104-L111 HydrophobicContact CD1-CD1 4.1Å; L106-L111 HydrophobicContact CB-CD2 3.79Å; L106-L111 HydrophobicContact CB-CG 4Å; L106-L111 HydrophobicContact CD1-CD2 3.98Å; P107-L111 PolarHBondContact O-N 3.13Å; Y108-L111 PolarHBondContact O-N 2.68Å; L111-N115 HydrophobicContact CD2-CB 4.15Å; L111-L143 HydrophobicContact CD1-CD1 4.45Å; L111-L143 HydrophobicContact CD2-CD1 3.77Å; L111-Y144 HydrophobicContact CB-CE2 4.07Å; L111-Y144 PolarHBondContact O-OH 3.03Å; L111-F150 HydrophobicContact CD1-CE2 3.86Å; L111-R257 VanDerWaalsContact C-NH2 3.34Å; L111-R257 PolarHBondContact O-NH2 2.86Å
112	Y	88.6	Confident	90.1	Very high	79 Å²	79	23.2 Å²	23.2	31%	0.31	13%	0.126	S	C	.	.			trans	-100.2	161.7	172.7	-74	-100.4	0	0	0	112	Y114 N115 Y144 F255 R257	Y112-Y114 HydrophobicContact CD1-CD1 4.46Å; Y112-Y114 AromaticContact CD1-CE1 3.61Å; Y112-Y114 HydrophobicContact CD1-CE1 3.61Å; Y112-Y114 AromaticContact CD1-CZ 3.95Å; Y112-Y114 HydrophobicContact CD2-CE1 4.39Å; Y112-Y114 AromaticContact CD2-CZ 3.9Å; Y112-Y114 WeakPolarHBondContact CD2-OH 3.19Å; Y112-Y114 HydrophobicContact CG-CD1 4.35Å; Y112-Y114 AromaticContact CG-CE1 3.54Å; Y112-Y114 HydrophobicContact CG-CE1 3.54Å; Y112-Y114 HydrophobicContact CG-CE2 4.26Å; Y112-Y114 AromaticContact CG-CZ 3.48Å; Y112-Y114 VanDerWaalsContact CG-CZ 3.48Å; Y112-Y114 PolarHBondContact O-N 2.98Å; Y112-N115 WeakPolarHBondContact CA-OD1 3.46Å; Y112-N115 PolarHBondContact N-OD1 3.19Å; Y112-N115 WeakPolarHBondContact O-CB 3.42Å; Y112-N115 PolarHBondContact O-N 3.08Å; Y112-N115 PolarHBondContact O-OD1 3.17Å; Y112-Y144 VanDerWaalsContact O-CD2 3.3Å; Y112-Y144 WeakPolarHBondContact O-CD2 3.32Å; Y112-Y144 VanDerWaalsContact O-CE2 3.26Å; Y112-Y144 WeakPolarHBondContact O-CE2 3.35Å; Y112-F255 VanDerWaalsContact CA-CE2 3.5Å; Y112-F255 AromaticContact CD1-CE2 3.73Å; Y112-F255 HydrophobicContact CD1-CE2 3.73Å; Y112-F255 AromaticContact CD1-CZ 3.65Å; Y112-F255 HydrophobicContact CD1-CZ 3.65Å; Y112-F255 HydrophobicContact CE1-CE2 4.46Å; Y112-F255 HydrophobicContact CE1-CZ 4.33Å; Y112-F255 HydrophobicContact CG-CE2 4.07Å; Y112-F255 HydrophobicContact CG-CZ 4.38Å; Y112-R257 HydrophobicContact CE1-CG 4.36Å; Y112-R257 VanDerWaalsContact CE1-NE 3.31Å
113	D	87.9	Confident	89.8	Confident	39 Å²	39	22.6 Å²	22.6	21%	0.209	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19	178.5	62.2	-11.9	0	0	0	114.8	K148 F255	D113-K148 HydrophobicContact CB-CD 3.7Å; D113-K148 WeakPolarHBondContact OD2-CE 3.4Å; D113-K148 IonicContact OD2-NZ 3.39Å; D113-K148 PolarHBondContact OD2-NZ 2.88Å; D113-F255 HydrophobicContact CB-CB 4.29Å; D113-F255 HydrophobicContact CB-CD1 3.61Å; D113-F255 HydrophobicContact CB-CD2 4.37Å; D113-F255 HydrophobicContact CB-CE1 3.97Å; D113-F255 HydrophobicContact CB-CG 3.82Å
114	Y	88.5	Confident	89.3	Confident	41 Å²	41	19.9 Å²	19.9	16%	0.161	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.5	172	56.6	-108.7	0	0	0	114.2	R73 D74 I75 Y112	R73-Y114 HydrophobicContact CB-CD2 4.34Å; D74-Y114 PolarHBondContact N-O 3.34Å; D74-Y114 VanDerWaalsContact N-O 3.08Å; D74-Y114 VanDerWaalsContact O-CB 3.25Å; D74-Y114 WeakPolarHBondContact O-CB 2.82Å; I75-Y114 HydrophobicContact CD1-CE2 4.33Å; I75-Y114 HydrophobicContact CG1-CD2 3.84Å; I75-Y114 HydrophobicContact CG1-CE2 3.9Å; I75-Y114 HydrophobicContact CG1-CG 4.16Å; Y112-Y114 HydrophobicContact CD1-CD1 4.46Å; Y112-Y114 AromaticContact CD1-CE1 3.61Å; Y112-Y114 HydrophobicContact CD1-CE1 3.61Å; Y112-Y114 AromaticContact CD1-CZ 3.95Å; Y112-Y114 HydrophobicContact CD2-CE1 4.39Å; Y112-Y114 AromaticContact CD2-CZ 3.9Å; Y112-Y114 WeakPolarHBondContact CD2-OH 3.19Å; Y112-Y114 HydrophobicContact CG-CD1 4.35Å; Y112-Y114 AromaticContact CG-CE1 3.54Å; Y112-Y114 HydrophobicContact CG-CE1 3.54Å; Y112-Y114 HydrophobicContact CG-CE2 4.26Å; Y112-Y114 AromaticContact CG-CZ 3.48Å; Y112-Y114 VanDerWaalsContact CG-CZ 3.48Å; Y112-Y114 PolarHBondContact O-N 2.98Å
115	N	91.5	Very high	88.8	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.1	175.3	-68	120.9	0	0	0	111.3	T72 R73 L111 Y112 L143	T72-N115 WeakPolarHBondContact O-CA 3.34Å; R73-N115 WeakPolarHBondContact CG-ND2 3.26Å; L111-N115 HydrophobicContact CD2-CB 4.15Å; Y112-N115 WeakPolarHBondContact CA-OD1 3.46Å; Y112-N115 PolarHBondContact N-OD1 3.19Å; Y112-N115 WeakPolarHBondContact O-CB 3.42Å; Y112-N115 PolarHBondContact O-N 3.08Å; Y112-N115 PolarHBondContact O-OD1 3.17Å; N115-L143 HydrophobicContact CB-CD1 3.91Å; N115-L143 WeakPolarHBondContact O-CB 3.49Å; N115-L143 PolarHBondContact O-N 2.75Å
116	G	92.8	Very high	88.3	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-175.6	171.9	0	0	0	0	0	112.1	I71 T72 M141	I71-G116 WeakPolarHBondContact CA-O 3.42Å; T72-G116 PolarHBondContact N-O 3.06Å; T72-G116 PolarHBondContact O-N 3.35Å; T72-G116 WeakPolarHBondContact OG1-CA 3.43Å; G116-M141 CarbonylContact C-O 3.59Å; G116-M141 WeakPolarHBondContact CA-O 3.45Å
117	I	94.6	Very high	87.7	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.3	172.5	-173.5	163.2	0	0	0	108.7	I36 C70 F102 L104 F119 N140 M141 L143 F240	I36-I117 HydrophobicContact CD1-CD1 3.6Å; C70-I117 WeakPolarHBondContact O-CA 3.29Å; C70-I117 WeakPolarHBondContact O-CG1 3.2Å; F102-I117 HydrophobicContact CE2-CD1 3.98Å; F102-I117 HydrophobicContact CZ-CD1 3.72Å; L104-I117 HydrophobicContact CD2-CD1 4.13Å; I117-F119 HydrophobicContact CB-CE2 4.44Å; I117-F119 HydrophobicContact CD1-CE1 4.09Å; I117-F119 HydrophobicContact CD1-CE2 4.08Å; I117-F119 HydrophobicContact CD1-CZ 3.54Å; I117-F119 HydrophobicContact CG1-CE1 4.43Å; I117-F119 HydrophobicContact CG1-CE2 3.92Å; I117-F119 HydrophobicContact CG1-CZ 3.87Å; I117-F119 HydrophobicContact CG2-CE2 3.74Å; I117-F119 HydrophobicContact CG2-CZ 4.27Å; I117-N140 PolarHBondContact O-OD1 2.73Å; I117-M141 HydrophobicContact CG2-CB 4.49Å; I117-M141 HydrophobicContact CG2-CE 4.44Å; I117-M141 PolarHBondContact N-O 3.27Å; I117-M141 PolarHBondContact O-N 3.02Å; I117-L143 HydrophobicContact CB-CD2 4.13Å; I117-L143 HydrophobicContact CG2-CD2 3.89Å; I117-F240 HydrophobicContact CG2-CZ 4.48Å
118	C	94.9	Very high	87	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.5	175.6	-178.1	0	0	0	0	109.5	Y69 C70 T72 A139 N140	Y69-C118 WeakPolarHBondContact CA-O 3.43Å; C70-C118 PolarHBondContact N-O 3.48Å; C70-C118 VanDerWaalsContact N-O 3.15Å; C70-C118 PolarHBondContact O-N 2.66Å; T72-C118 HydrophobicContact CG2-CB 3.69Å; C118-A139 WeakPolarHBondContact CA-O 3.12Å; C118-N140 HydrophobicContact CB-CB 4.45Å
119	F	95	Very high	86.4	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.1	174.5	-64.3	-81.9	0	0	0	109.5	I36 I38 I67 N68 Y69 F102 I117 G138 A139 L157 L236 V238	I36-F119 HydrophobicContact CG2-CZ 4.32Å; I38-F119 HydrophobicContact CD1-CE1 4.14Å; I38-F119 HydrophobicContact CG1-CE1 4.24Å; I67-F119 HydrophobicContact CG2-CB 4.31Å; I67-F119 HydrophobicContact CG2-CD1 3.74Å; N68-F119 CarbonylContact O-C 3.53Å; N68-F119 WeakPolarHBondContact O-CA 3.4Å; Y69-F119 HydrophobicContact CG-CE1 4.42Å; F102-F119 HydrophobicContact CE1-CE1 4.39Å; F102-F119 HydrophobicContact CZ-CE1 4.21Å; F102-F119 HydrophobicContact CZ-CZ 4.43Å; I117-F119 HydrophobicContact CB-CE2 4.44Å; I117-F119 HydrophobicContact CD1-CE1 4.09Å; I117-F119 HydrophobicContact CD1-CE2 4.08Å; I117-F119 HydrophobicContact CD1-CZ 3.54Å; I117-F119 HydrophobicContact CG1-CE1 4.43Å; I117-F119 HydrophobicContact CG1-CE2 3.92Å; I117-F119 HydrophobicContact CG1-CZ 3.87Å; I117-F119 HydrophobicContact CG2-CE2 3.74Å; I117-F119 HydrophobicContact CG2-CZ 4.27Å; F119-G138 CarbonylContact O-C 3.55Å; F119-G138 WeakPolarHBondContact O-CA 3.46Å; F119-A139 PolarHBondContact N-O 3Å; F119-A139 PolarHBondContact O-N 2.88Å; F119-L157 HydrophobicContact CD2-CD1 3.73Å; F119-L157 HydrophobicContact CE2-CD1 3.85Å; F119-L236 HydrophobicContact CB-CD2 3.94Å; F119-L236 HydrophobicContact CD1-CD2 3.96Å; F119-L236 HydrophobicContact CD2-CD2 4.39Å; F119-L236 HydrophobicContact CG-CD2 3.85Å; F119-V238 HydrophobicContact CE2-CG1 4.41Å; F119-V238 HydrophobicContact CZ-CG1 4.17Å
120	V	94	Very high	86.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.2	177.7	174.4	0	0	0	0	109	N68 W86 L135 A137 L162 L170 V173	N68-V120 HydrophobicContact CB-CB 4.36Å; N68-V120 PolarHBondContact N-O 3.02Å; N68-V120 PolarHBondContact ND2-O 2.85Å; N68-V120 PolarHBondContact O-N 3.44Å; W86-V120 HydrophobicContact CH2-CB 4.36Å; W86-V120 HydrophobicContact CH2-CG2 3.54Å; W86-V120 HydrophobicContact CZ3-CB 4.13Å; W86-V120 HydrophobicContact CZ3-CG2 3.75Å; V120-L135 HydrophobicContact CG1-CB 4.4Å; V120-L135 HydrophobicContact CG1-CD1 4.47Å; V120-L135 HydrophobicContact CG1-CD2 3.97Å; V120-A137 CarbonylContact C-O 3.47Å; V120-A137 WeakPolarHBondContact CA-O 3.36Å; V120-L162 HydrophobicContact CG1-CD1 3.72Å; V120-L170 HydrophobicContact CB-CD2 4.06Å; V120-L170 HydrophobicContact CG1-CD2 3.87Å; V120-L170 HydrophobicContact CG2-CD2 4.33Å; V120-V173 HydrophobicContact CG2-CG1 4.27Å; V120-V173 HydrophobicContact CG2-CG2 4.08Å
121	L	92	Very high	85.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.8	169.7	-178.6	72.1	0	0	0	109.8	I41 F44 L65 I67 I136 A137 L159 L234	I41-L121 HydrophobicContact CD1-CD1 3.8Å; I41-L121 HydrophobicContact CD1-CD2 3.39Å; I41-L121 HydrophobicContact CD1-CG 4.16Å; F44-L121 HydrophobicContact CD2-CD2 4.23Å; L65-L121 HydrophobicContact CB-CD1 4.35Å; L65-L121 HydrophobicContact CD2-CD1 3.88Å; L65-L121 HydrophobicContact CD2-CD2 4.25Å; L65-L121 HydrophobicContact CD2-CG 4.22Å; I67-L121 HydrophobicContact CD1-CB 4.04Å; I67-L121 HydrophobicContact CD1-CD1 3.51Å; I67-L121 HydrophobicContact CD1-CG 4.4Å; I67-L121 HydrophobicContact CG1-CD1 4.48Å; L121-I136 HydrophobicContact CB-CB 4.47Å; L121-I136 HydrophobicContact CD2-CB 4.01Å; L121-I136 HydrophobicContact CD2-CD1 3.75Å; L121-I136 HydrophobicContact CD2-CG2 3.98Å; L121-I136 HydrophobicContact CG-CB 4.23Å; L121-I136 HydrophobicContact CG-CD1 3.84Å; L121-I136 PolarHBondContact O-N 3.08Å; L121-A137 PolarHBondContact N-O 2.94Å; L121-L159 HydrophobicContact CB-CD1 4.2Å; L121-L234 HydrophobicContact CD2-CD2 3.68Å
122	S	89.1	Confident	85.3	Confident	5 Å²	5	43.2 Å²	43.2	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.5	169.9	58.7	0	0	0	0	110.5	R66 N68 Q134	R66-S122 PolarHBondContact N-O 2.99Å; R66-S122 PolarHBondContact O-N 2.67Å; R66-S122 VanDerWaalsContact O-O 3.13Å; R66-S122 PolarHBondContact O-OG 3.2Å; N68-S122 WeakPolarHBondContact ND2-CB 3.41Å; N68-S122 PolarHBondContact ND2-OG 3.19Å; S122-Q134 CarbonylContact C-O 3.53Å; S122-Q134 WeakPolarHBondContact CA-O 3.21Å; S122-Q134 WeakPolarHBondContact CB-O 3.31Å
123	S	85.2	Confident	84.8	Confident	2 Å²	2	46 Å²	46	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	178.6	166.9	-170.2	0	0	0	0	109.3	Y62 G63 E64 Q134	Y62-S123 WeakPolarHBondContact CD1-OG 3.2Å; G63-S123 PolarHBondContact O-OG 2.91Å; E64-S123 WeakPolarHBondContact O-CA 3.35Å; E64-S123 PolarHBondContact O-OG 3.02Å; S123-Q134 PolarHBondContact N-O 3.01Å; S123-Q134 PolarHBondContact O-N 3.34Å
124	T	81.3	Confident	84.7	Confident	5 Å²	5	46 Å²	46	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.6	171.3	48.1	0	0	0	0	107.7	G63 E64 M131 H132 E133	G63-T124 WeakPolarHBondContact CA-O 3.26Å; G63-T124 WeakPolarHBondContact CA-OG1 3.25Å; G63-T124 PolarHBondContact N-O 3.08Å; E64-T124 PolarHBondContact N-OG1 3.32Å; T124-M131 HydrophobicContact CG2-CE 3.38Å; T124-M131 VanDerWaalsContact OG1-CE 3.31Å; T124-M131 WeakPolarHBondContact OG1-CE 3.43Å; T124-H132 CarbonylContact C-O 3.5Å; T124-H132 WeakPolarHBondContact CA-O 3.34Å; T124-E133 HydrophobicContact CG2-CG 3.88Å
125	Y	78.5	Confident	84.7	Confident	37 Å²	37	45.2 Å²	45.2	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.9	170.6	73.3	-91.7	0	0	0	108.7	I52 D127 M131 H132 Q134	I52-Y125 HydrophobicContact CD1-CD2 3.41Å; I52-Y125 VanDerWaalsContact CD1-CD2 3.41Å; I52-Y125 HydrophobicContact CD1-CE2 3.54Å; I52-Y125 HydrophobicContact CD1-CG 4.03Å; Y125-D127 HydrophobicContact CD2-CB 4.36Å; Y125-D127 HydrophobicContact CE2-CB 4.07Å; Y125-M131 CarbonylContact O-C 3.59Å; Y125-M131 WeakPolarHBondContact O-CA 3.26Å; Y125-H132 HydrophobicContact CD1-CB 4.03Å; Y125-H132 HydrophobicContact CD2-CB 4.4Å; Y125-H132 HydrophobicContact CE1-CB 3.48Å; Y125-H132 VanDerWaalsContact CE1-CB 3.48Å; Y125-H132 HydrophobicContact CE2-CB 3.88Å; Y125-H132 AromaticContact CE2-CD2 3.77Å; Y125-H132 HydrophobicContact CG-CB 4.46Å; Y125-H132 AromaticContact CZ-CD2 3.97Å; Y125-H132 AromaticContact CZ-CG 3.87Å; Y125-H132 PolarHBondContact N-O 3.25Å; Y125-H132 PolarHBondContact O-N 2.86Å; Y125-Q134 HydrophobicContact CD1-CB 3.92Å; Y125-Q134 HydrophobicContact CE1-CB 4.13Å
126	T	74.4	Confident	84.6	Confident	63 Å²	63	45.3 Å²	45.3	39%	0.387	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.5	176.4	-49.6	0	0	0	0	109.4	L59 A60 G130	L59-T126 CarbonylContact C-O 3.51Å; A60-T126 WeakPolarHBondContact CA-O 3.45Å; T126-G130 CarbonylContact C-O 3.38Å; T126-G130 WeakPolarHBondContact CA-O 3.42Å
127	D	74.7	Confident	84.5	Confident	43 Å²	43	45.3 Å²	45.3	23%	0.23	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-169.8	168.4	75.8	20.4	0	0	0	110.8	Y125 K129 G130 H132	Y125-D127 HydrophobicContact CD2-CB 4.36Å; Y125-D127 HydrophobicContact CE2-CB 4.07Å; D127-K129 PolarHBondContact O-N 2.92Å; D127-K129 VanDerWaalsContact O-N 3.15Å; D127-K129 WeakPolarHBondContact OD1-CA 3.34Å; D127-K129 VanDerWaalsContact OD1-CB 3.27Å; D127-K129 WeakPolarHBondContact OD1-CB 3.37Å; D127-K129 PolarHBondContact OD1-N 2.9Å; D127-G130 PolarHBondContact N-O 2.87Å; D127-G130 PolarHBondContact O-N 2.86Å; D127-G130 VanDerWaalsContact O-N 3.15Å; D127-H132 IonicContact OD1-CD2 3.86Å; D127-H132 PolarHBondContact OD1-CD2 2.97Å; D127-H132 IonicContact OD1-NE2 3.42Å; D127-H132 PolarHBondContact OD1-NE2 3.43Å; D127-H132 IonicContact OD2-CD2 2.9Å; D127-H132 IonicContact OD2-NE2 3.25Å
128	K	76.1	Confident	84.5	Confident	194 Å²	194	45.3 Å²	45.3	84%	0.843	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17	179.9	-64.5	179.9	-178.6	174.4	0	113.9	L59	L59-K128 HydrophobicContact CD1-CG 4.37Å
129	K	76.5	Confident	84.5	Confident	186 Å²	186	45.3 Å²	45.3	81%	0.809	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-5.2	179.3	-61	-179.7	178.1	179.5	0	113	D127	D127-K129 PolarHBondContact O-N 2.92Å; D127-K129 VanDerWaalsContact O-N 3.15Å; D127-K129 WeakPolarHBondContact OD1-CA 3.34Å; D127-K129 VanDerWaalsContact OD1-CB 3.27Å; D127-K129 WeakPolarHBondContact OD1-CB 3.37Å; D127-K129 PolarHBondContact OD1-N 2.9Å
130	G	77.6	Confident	84.4	Confident	30 Å²	30	46 Å²	46	31%	0.309	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	122.8	-158.6	176.7	0	0	0	0	0	112.7	T126 D127 H132	T126-G130 CarbonylContact C-O 3.38Å; T126-G130 WeakPolarHBondContact CA-O 3.42Å; D127-G130 PolarHBondContact N-O 2.87Å; D127-G130 PolarHBondContact O-N 2.86Å; D127-G130 VanDerWaalsContact O-N 3.15Å; G130-H132 PolarHBondContact O-CD2 2.62Å
131	M	77.5	Confident	84.3	Confident	117 Å²	117	46.1 Å²	46.1	58%	0.576	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.7	179.2	-174.5	-179.7	175.7	0	0	109.6	T124 Y125	T124-M131 HydrophobicContact CG2-CE 3.38Å; T124-M131 VanDerWaalsContact OG1-CE 3.31Å; T124-M131 WeakPolarHBondContact OG1-CE 3.43Å; Y125-M131 CarbonylContact O-C 3.59Å; Y125-M131 WeakPolarHBondContact O-CA 3.26Å
132	H	79.7	Confident	84.4	Confident	60 Å²	60	50.6 Å²	50.6	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.7	-177.9	-64.3	-71.9	0	0	0	109.7	T124 Y125 D127 G130	T124-H132 CarbonylContact C-O 3.5Å; T124-H132 WeakPolarHBondContact CA-O 3.34Å; Y125-H132 HydrophobicContact CD1-CB 4.03Å; Y125-H132 HydrophobicContact CD2-CB 4.4Å; Y125-H132 HydrophobicContact CE1-CB 3.48Å; Y125-H132 VanDerWaalsContact CE1-CB 3.48Å; Y125-H132 HydrophobicContact CE2-CB 3.88Å; Y125-H132 AromaticContact CE2-CD2 3.77Å; Y125-H132 HydrophobicContact CG-CB 4.46Å; Y125-H132 AromaticContact CZ-CD2 3.97Å; Y125-H132 AromaticContact CZ-CG 3.87Å; Y125-H132 PolarHBondContact N-O 3.25Å; Y125-H132 PolarHBondContact O-N 2.86Å; D127-H132 IonicContact OD1-CD2 3.86Å; D127-H132 PolarHBondContact OD1-CD2 2.97Å; D127-H132 IonicContact OD1-NE2 3.42Å; D127-H132 PolarHBondContact OD1-NE2 3.43Å; D127-H132 IonicContact OD2-CD2 2.9Å; D127-H132 IonicContact OD2-NE2 3.25Å; G130-H132 PolarHBondContact O-CD2 2.62Å
133	E	80	Confident	84.6	Confident	139 Å²	139	50.4 Å²	50.4	65%	0.65	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	143	170.3	-71.6	-170.3	160.1	0	0	110.6	R66 T124	R66-E133 IonicContact NH1-OE1 2.75Å; T124-E133 HydrophobicContact CG2-CG 3.88Å
134	Q	84.7	Confident	84.9	Confident	39 Å²	39	50.6 Å²	50.6	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.3	177.8	179.3	171.7	9.7	0	0	110.4	Y62 S122 S123 Y125	Y62-Q134 VanDerWaalsContact OH-CD 3.23Å; Y62-Q134 PolarHBondContact OH-OE1 2.99Å; S122-Q134 CarbonylContact C-O 3.53Å; S122-Q134 WeakPolarHBondContact CA-O 3.21Å; S122-Q134 WeakPolarHBondContact CB-O 3.31Å; S123-Q134 PolarHBondContact N-O 3.01Å; S123-Q134 PolarHBondContact O-N 3.34Å; Y125-Q134 HydrophobicContact CD1-CB 3.92Å; Y125-Q134 HydrophobicContact CE1-CB 4.13Å
135	L	88.8	Confident	85.3	Confident	23 Å²	23	51.8 Å²	51.8	12%	0.12	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.2	167.4	-53.4	-174.1	0	0	0	108.9	V120 L162 V167 R169 L170	V120-L135 HydrophobicContact CG1-CB 4.4Å; V120-L135 HydrophobicContact CG1-CD1 4.47Å; V120-L135 HydrophobicContact CG1-CD2 3.97Å; L135-L162 HydrophobicContact CB-CD1 3.86Å; L135-L162 HydrophobicContact CD1-CD1 4.5Å; L135-V167 HydrophobicContact CD1-CG1 4.3Å; L135-R169 VanDerWaalsContact CD1-C 3.44Å; L135-L170 HydrophobicContact CD1-CD2 4.17Å; L135-L170 HydrophobicContact CD1-CG 4.43Å; L135-L170 HydrophobicContact CD2-CD2 3.92Å; L135-L170 HydrophobicContact CD2-CG 4.25Å
136	I	88.6	Confident	85.7	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-59.8	-174.2	-63.9	158.2	0	0	0	110.2	F44 Y49 Y62 L65 L121 L162	F44-I136 HydrophobicContact CE2-CD1 3.84Å; Y49-I136 HydrophobicContact CE1-CG2 3.72Å; Y49-I136 HydrophobicContact CE2-CG2 4.38Å; Y49-I136 WeakPolarHBondContact OH-CG2 3.4Å; Y62-I136 HydrophobicContact CE1-CD1 4.01Å; Y62-I136 HydrophobicContact CE1-CG1 4.3Å; L65-I136 HydrophobicContact CD2-CD1 3.77Å; L121-I136 HydrophobicContact CB-CB 4.47Å; L121-I136 HydrophobicContact CD2-CB 4.01Å; L121-I136 HydrophobicContact CD2-CD1 3.75Å; L121-I136 HydrophobicContact CD2-CG2 3.98Å; L121-I136 HydrophobicContact CG-CB 4.23Å; L121-I136 HydrophobicContact CG-CD1 3.84Å; L121-I136 PolarHBondContact O-N 3.08Å; I136-L162 PolarHBondContact O-N 3.13Å
137	A	92.2	Very high	86.1	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.6	-172	0	0	0	0	0	110.9	V120 L121 L159 H160 L234	V120-A137 CarbonylContact C-O 3.47Å; V120-A137 WeakPolarHBondContact CA-O 3.36Å; L121-A137 PolarHBondContact N-O 2.94Å; A137-L159 HydrophobicContact CB-CB 3.84Å; A137-H160 CarbonylContact C-O 3.54Å; A137-H160 WeakPolarHBondContact CA-O 3.43Å; A137-H160 VanDerWaalsContact CB-O 3.31Å; A137-H160 WeakPolarHBondContact CB-O 3.47Å; A137-L234 HydrophobicContact CB-CD2 3.59Å
138	G	93.5	Very high	86.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	170.3	177.5	0	0	0	0	0	113.6	F119 H160 F182	F119-G138 CarbonylContact O-C 3.55Å; F119-G138 WeakPolarHBondContact O-CA 3.46Å; G138-H160 PolarHBondContact N-O 2.94Å; G138-H160 PolarHBondContact O-N 2.87Å; G138-F182 WeakPolarHBondContact O-CE2 3.5Å
139	A	94.2	Very high	87.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	154	172.7	0	0	0	0	0	111.6	C118 F119 E158 L159	C118-A139 WeakPolarHBondContact CA-O 3.12Å; F119-A139 PolarHBondContact N-O 3Å; F119-A139 PolarHBondContact O-N 2.88Å; A139-E158 VanDerWaalsContact CB-O 3.29Å; A139-E158 WeakPolarHBondContact CB-O 3.5Å; A139-L159 HydrophobicContact CB-CD2 3.92Å
140	N	93.6	Very high	88.2	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.08	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.2	174.3	-177.7	49.3	0	0	0	111.4	T72 I117 C118 V177 F182 S184	T72-N140 WeakPolarHBondContact CG2-OD1 3.29Å; T72-N140 PolarHBondContact OG1-OD1 3.06Å; I117-N140 PolarHBondContact O-OD1 2.73Å; C118-N140 HydrophobicContact CB-CB 4.45Å; N140-V177 WeakPolarHBondContact ND2-CG1 3.39Å; N140-V177 PolarHBondContact ND2-O 2.9Å; N140-F182 HydrophobicContact CB-CD1 3.94Å; N140-F182 HydrophobicContact CB-CE1 4.24Å; N140-F182 PolarHBondContact N-O 3.28Å; N140-S184 PolarHBondContact O-N 3.14Å; N140-S184 VanDerWaalsContact O-N 3.09Å
141	M	93.1	Very high	88.8	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134.4	178.8	-173.1	170.3	51.7	0	0	112	G116 I117 Y155 L157 S184 F240	G116-M141 CarbonylContact C-O 3.59Å; G116-M141 WeakPolarHBondContact CA-O 3.45Å; I117-M141 HydrophobicContact CG2-CB 4.49Å; I117-M141 HydrophobicContact CG2-CE 4.44Å; I117-M141 PolarHBondContact N-O 3.27Å; I117-M141 PolarHBondContact O-N 3.02Å; M141-Y155 HydrophobicContact SD-CD1 4.46Å; M141-L157 HydrophobicContact CE-CD1 4.19Å; M141-L157 HydrophobicContact CE-CD2 3.82Å; M141-L157 HydrophobicContact SD-CD2 3.64Å; M141-S184 WeakPolarHBondContact CB-OG 3.44Å; M141-F240 HydrophobicContact CE-CE2 3.42Å; M141-F240 VanDerWaalsContact CE-CE2 3.42Å; M141-F240 HydrophobicContact CE-CZ 3.33Å
142	K	92.5	Very high	89.3	Confident	95 Å²	95	41.2 Å²	41.2	41%	0.413	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.9	170.5	-61.2	-166	177	-162.4	0	111.6	D74 R151	D74-K142 IonicContact OD2-NZ 3.71Å; D74-K142 PolarHBondContact OD2-NZ 3.22Å; D74-K142 VanDerWaalsContact OD2-NZ 3.1Å; K142-R151 WeakPolarHBondContact O-CD 3.39Å; K142-R151 PolarHBondContact O-NE 3.19Å
143	L	94.2	Very high	89.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-70	-33.2	179.6	-69.3	175.3	0	0	0	112.4	I36 L104 L111 N115 I117 F150 R151 F240	I36-L143 HydrophobicContact CD1-CD2 4.4Å; L104-L143 HydrophobicContact CD1-CD1 3.85Å; L104-L143 HydrophobicContact CD1-CD2 4.05Å; L111-L143 HydrophobicContact CD1-CD1 4.45Å; L111-L143 HydrophobicContact CD2-CD1 3.77Å; N115-L143 HydrophobicContact CB-CD1 3.91Å; N115-L143 WeakPolarHBondContact O-CB 3.49Å; N115-L143 PolarHBondContact O-N 2.75Å; I117-L143 HydrophobicContact CB-CD2 4.13Å; I117-L143 HydrophobicContact CG2-CD2 3.89Å; L143-F150 HydrophobicContact CB-CD2 4.26Å; L143-F150 HydrophobicContact CB-CE2 3.81Å; L143-F150 HydrophobicContact CD1-CE2 4.32Å; L143-F150 HydrophobicContact CD2-CE2 4.33Å; L143-F150 HydrophobicContact CD2-CZ 4.38Å; L143-F150 HydrophobicContact CG-CE2 4.38Å; L143-R151 WeakPolarHBondContact O-CG 3.44Å; L143-R151 PolarHBondContact O-N 2.82Å; L143-F240 HydrophobicContact CD2-CE1 3.95Å
144	Y	91.8	Very high	90.1	Very high	6 Å²	6	34.9 Å²	34.9	2%	0.024	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-98.1	141.3	172.2	-66.5	-88.4	0	0	0	110.6	S11 L111 Y112 K148 F150 F255	S11-Y144 WeakPolarHBondContact CB-OH 3.28Å; L111-Y144 HydrophobicContact CB-CE2 4.07Å; L111-Y144 PolarHBondContact O-OH 3.03Å; Y112-Y144 VanDerWaalsContact O-CD2 3.3Å; Y112-Y144 WeakPolarHBondContact O-CD2 3.32Å; Y112-Y144 VanDerWaalsContact O-CE2 3.26Å; Y112-Y144 WeakPolarHBondContact O-CE2 3.35Å; Y144-K148 VanDerWaalsContact CD1-O 3.26Å; Y144-K148 WeakPolarHBondContact CD1-O 3.12Å; Y144-F150 HydrophobicContact CD1-CB 3.98Å; Y144-F150 HydrophobicContact CD1-CD2 4.44Å; Y144-F150 VanDerWaalsContact CD1-N 3.32Å; Y144-F150 HydrophobicContact CE1-CB 3.76Å; Y144-F150 HydrophobicContact CE1-CD2 4.08Å; Y144-F150 HydrophobicContact CE1-CG 4.44Å; Y144-F150 HydrophobicContact CE2-CD2 4.21Å; Y144-F150 AromaticContact CZ-CD2 3.98Å; Y144-F255 HydrophobicContact CD1-CB 3.82Å; Y144-F255 HydrophobicContact CE1-CB 3.64Å; Y144-F255 HydrophobicContact CE2-CB 4.46Å; Y144-F255 HydrophobicContact CG-CB 4.33Å
145	N	88.6	Confident	90.4	Very high	31 Å²	31	33.8 Å²	33.8	17%	0.166	17%	0.169	C	C	.	.			trans	-80.9	-178.3	175.3	67.9	33	0	0	0	112	K147 K148 V149	N145-K147 PolarHBondContact O-N 2.81Å; N145-K147 VanDerWaalsContact O-N 3.14Å; N145-K147 WeakPolarHBondContact OD1-CA 3.41Å; N145-K147 WeakPolarHBondContact OD1-CB 3.38Å; N145-K147 PolarHBondContact OD1-N 2.79Å; N145-K148 WeakPolarHBondContact O-CA 3.12Å; N145-K148 PolarHBondContact O-N 2.88Å; N145-K148 PolarHBondContact OD1-N 3.07Å; N145-V149 PolarHBondContact N-O 2.82Å; N145-V149 PolarHBondContact ND2-O 2.85Å; N145-V149 PolarHBondContact OD1-N 2.99Å; N145-V149 VanDerWaalsContact OD1-N 3.14Å; N145-V149 PolarHBondContact OD1-O 3.21Å
146	S	86.5	Confident	90.6	Very high	125 Å²	125	33.4 Å²	33.4	87%	0.874	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.9	179.9	56.4	0	0	0	0	114.7	K148	S146-K148 VanDerWaalsContact C-N 3.28Å
147	K	84.8	Confident	90.9	Very high	153 Å²	153	33.3 Å²	33.3	67%	0.665	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	12.7	173.2	-60	-172.7	175.5	-171.1	0	112.6	N145 V149	N145-K147 PolarHBondContact O-N 2.81Å; N145-K147 VanDerWaalsContact O-N 3.14Å; N145-K147 WeakPolarHBondContact OD1-CA 3.41Å; N145-K147 WeakPolarHBondContact OD1-CB 3.38Å; N145-K147 PolarHBondContact OD1-N 2.79Å; K147-V149 HydrophobicContact CB-CG2 4.22Å; K147-V149 PolarHBondContact O-N 3.09Å
148	K	88.4	Confident	91	Very high	91 Å²	91	33.8 Å²	33.8	40%	0.396	17%	0.168	S	C	.	.	S	Bend	trans	59.5	23.2	-176.6	-54.9	-67.8	178.5	176.1	0	113.3	D113 Y144 N145 S146 I254 F255	D113-K148 HydrophobicContact CB-CD 3.7Å; D113-K148 WeakPolarHBondContact OD2-CE 3.4Å; D113-K148 IonicContact OD2-NZ 3.39Å; D113-K148 PolarHBondContact OD2-NZ 2.88Å; Y144-K148 VanDerWaalsContact CD1-O 3.26Å; Y144-K148 WeakPolarHBondContact CD1-O 3.12Å; N145-K148 WeakPolarHBondContact O-CA 3.12Å; N145-K148 PolarHBondContact O-N 2.88Å; N145-K148 PolarHBondContact OD1-N 3.07Å; S146-K148 VanDerWaalsContact C-N 3.28Å; K148-I254 HydrophobicContact CB-CG1 4.42Å; K148-I254 CarbonylContact O-C 3.52Å; K148-I254 WeakPolarHBondContact O-CA 3.11Å; K148-F255 HydrophobicContact CB-CB 4.2Å; K148-F255 PolarHBondContact O-N 2.97Å
149	V	89.2	Confident	91	Very high	7 Å²	7	34 Å²	34	4%	0.042	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-96.9	131.7	176.1	-177.4	0	0	0	0	109.1	Y8 N145 K147 P252 V253 I254	Y8-V149 HydrophobicContact CD1-CG1 4.31Å; Y8-V149 HydrophobicContact CD1-CG2 3.87Å; Y8-V149 HydrophobicContact CE1-CG1 4.16Å; Y8-V149 HydrophobicContact CE1-CG2 3.6Å; N145-V149 PolarHBondContact N-O 2.82Å; N145-V149 PolarHBondContact ND2-O 2.85Å; N145-V149 PolarHBondContact OD1-N 2.99Å; N145-V149 VanDerWaalsContact OD1-N 3.14Å; N145-V149 PolarHBondContact OD1-O 3.21Å; K147-V149 HydrophobicContact CB-CG2 4.22Å; K147-V149 PolarHBondContact O-N 3.09Å; V149-P252 HydrophobicContact CG1-CB 4.43Å; V149-V253 CarbonylContact C-O 3.59Å; V149-V253 WeakPolarHBondContact CA-O 3.35Å; V149-V253 WeakPolarHBondContact CG1-O 3.37Å; V149-I254 HydrophobicContact CG2-CG1 4.35Å
150	F	92.1	Very high	90.9	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.031	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-59.5	138.3	177.7	-168.5	-92.4	0	0	0	109.7	P34 L104 Y108 L111 L143 Y144 F240 V253	P34-F150 HydrophobicContact CB-CE1 3.66Å; P34-F150 HydrophobicContact CB-CE2 4.23Å; P34-F150 HydrophobicContact CB-CZ 3.38Å; P34-F150 HydrophobicContact CG-CE1 4.29Å; P34-F150 HydrophobicContact CG-CE2 4.09Å; P34-F150 HydrophobicContact CG-CZ 3.75Å; L104-F150 HydrophobicContact CD1-CE2 4.42Å; L104-F150 HydrophobicContact CD1-CZ 4.09Å; Y108-F150 HydrophobicContact CD1-CD2 4.43Å; Y108-F150 HydrophobicContact CD1-CG 4.42Å; Y108-F150 HydrophobicContact CE1-CB 4.17Å; Y108-F150 AromaticContact CE1-CD1 3.72Å; Y108-F150 HydrophobicContact CE1-CD1 3.72Å; Y108-F150 HydrophobicContact CE1-CD2 4.06Å; Y108-F150 HydrophobicContact CE1-CE1 4.1Å; Y108-F150 HydrophobicContact CE1-CE2 4.4Å; Y108-F150 AromaticContact CE1-CG 3.71Å; Y108-F150 HydrophobicContact CE1-CG 3.71Å; Y108-F150 HydrophobicContact CE1-CZ 4.43Å; L111-F150 HydrophobicContact CD1-CE2 3.86Å; L143-F150 HydrophobicContact CB-CD2 4.26Å; L143-F150 HydrophobicContact CB-CE2 3.81Å; L143-F150 HydrophobicContact CD1-CE2 4.32Å; L143-F150 HydrophobicContact CD2-CE2 4.33Å; L143-F150 HydrophobicContact CD2-CZ 4.38Å; L143-F150 HydrophobicContact CG-CE2 4.38Å; Y144-F150 HydrophobicContact CD1-CB 3.98Å; Y144-F150 HydrophobicContact CD1-CD2 4.44Å; Y144-F150 VanDerWaalsContact CD1-N 3.32Å; Y144-F150 HydrophobicContact CE1-CB 3.76Å; Y144-F150 HydrophobicContact CE1-CD2 4.08Å; Y144-F150 HydrophobicContact CE1-CG 4.44Å; Y144-F150 HydrophobicContact CE2-CD2 4.21Å; Y144-F150 AromaticContact CZ-CD2 3.98Å; F150-F240 AromaticContact CE1-CD1 3.96Å; F150-F240 HydrophobicContact CE1-CD1 3.96Å; F150-F240 HydrophobicContact CZ-CD1 4.29Å; F150-V253 HydrophobicContact CB-CB 4.18Å; F150-V253 PolarHBondContact N-O 2.95Å
151	R	90.9	Very high	90.7	Very high	50 Å²	50	38.6 Å²	38.6	19%	0.189	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-65.7	140.7	-177.1	-73.8	-179.9	-170.2	-100	3.4	110.9	K142 L143 Y155 F240	K142-R151 WeakPolarHBondContact O-CD 3.39Å; K142-R151 PolarHBondContact O-NE 3.19Å; L143-R151 WeakPolarHBondContact O-CG 3.44Å; L143-R151 PolarHBondContact O-N 2.82Å; R151-Y155 HydrophobicContact CB-CE2 3.85Å; R151-Y155 HydrophobicContact CG-CE1 4.33Å; R151-Y155 HydrophobicContact CG-CE2 4.34Å; R151-F240 HydrophobicContact CB-CD1 3.95Å; R151-F240 HydrophobicContact CB-CD2 4.42Å; R151-F240 HydrophobicContact CB-CE1 4.24Å; R151-F240 HydrophobicContact CB-CG 4.07Å; R151-F240 VanDerWaalsContact O-CB 3.26Å; R151-F240 WeakPolarHBondContact O-CB 3.26Å
152	Q	87.3	Confident	90.5	Very high	15 Å²	15	38.5 Å²	38.5	7%	0.07	20%	0.196	C	C	.	.			trans	-145.1	145	179	-163.8	170.8	11.8	0	0	110.1	Y155 Y250	Q152-Y155 WeakPolarHBondContact O-CE2 3.32Å; Q152-Y250 HydrophobicContact CG-CE2 3.73Å; Q152-Y250 PolarHBondContact OE1-OH 2.99Å; Q152-Y250 VanDerWaalsContact OE1-OH 3.13Å
153	G	87.4	Confident	90.1	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-168	-176.3	0	0	0	0	0	113.5	Y155 F240	G153-Y155 WeakPolarHBondContact O-CD2 3.47Å; G153-F240 PolarHBondContact N-O 2.89Å; G153-F240 PolarHBondContact O-N 3.21Å
154	I	88.8	Confident	89.6	Confident	61 Å²	61	43.9 Å²	43.9	31%	0.313	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.4	-177.6	-58.4	172.1	0	0	0	110.5	R200 V238 K239	I154-R200 PolarHBondContact O-NH1 3.45Å; I154-V238 CarbonylContact C-O 3.57Å; I154-V238 WeakPolarHBondContact CA-O 3.49Å; I154-K239 HydrophobicContact CG1-CB 4.23Å; I154-K239 HydrophobicContact CG1-CG 4.02Å
155	Y	92.3	Very high	89.2	Confident	17 Å²	17	47.2 Å²	47.2	7%	0.067	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.5	173	-69.1	-99.3	0	0	0	109.2	M141 R151 Q152 G153 R200 V238 F240	M141-Y155 HydrophobicContact SD-CD1 4.46Å; R151-Y155 HydrophobicContact CB-CE2 3.85Å; R151-Y155 HydrophobicContact CG-CE1 4.33Å; R151-Y155 HydrophobicContact CG-CE2 4.34Å; Q152-Y155 WeakPolarHBondContact O-CE2 3.32Å; G153-Y155 WeakPolarHBondContact O-CD2 3.47Å; Y155-R200 VanDerWaalsContact CZ-CD 3.5Å; Y155-V238 PolarHBondContact N-O 3.01Å; Y155-V238 PolarHBondContact O-N 3.13Å; Y155-F240 AromaticContact CD2-CD2 3.69Å; Y155-F240 HydrophobicContact CD2-CD2 3.69Å; Y155-F240 HydrophobicContact CD2-CE2 4.16Å; Y155-F240 HydrophobicContact CE2-CD2 4.11Å
156	E	92.9	Very high	88.9	Confident	15 Å²	15	47.7 Å²	47.7	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114	170	-57.4	-62.6	127	0	0	107.6	P186 L196 V224 K228 S237	E156-P186 WeakPolarHBondContact O-CD 3.35Å; E156-P186 WeakPolarHBondContact O-CG 3.19Å; E156-L196 HydrophobicContact CB-CD1 3.97Å; E156-L196 HydrophobicContact CG-CD1 3.69Å; E156-L196 HydrophobicContact CG-CD2 4.07Å; E156-V224 HydrophobicContact CG-CG1 4.29Å; E156-K228 HydrophobicContact CG-CD 4.48Å; E156-K228 VanDerWaalsContact OE2-CD 3.31Å; E156-K228 WeakPolarHBondContact OE2-CD 3.45Å; E156-K228 IonicContact OE2-NZ 3.68Å; E156-K228 PolarHBondContact OE2-NZ 2.81Å; E156-S237 VanDerWaalsContact OE1-CB 3.26Å; E156-S237 WeakPolarHBondContact OE1-CB 3.43Å; E156-S237 PolarHBondContact OE1-OG 3.44Å
157	L	93.8	Very high	88.9	Confident	3 Å²	3	42 Å²	42	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.9	-176.3	-52.1	-173.2	0	0	0	109.6	F119 M141 L159 S184 F235 L236 V238	F119-L157 HydrophobicContact CD2-CD1 3.73Å; F119-L157 HydrophobicContact CE2-CD1 3.85Å; M141-L157 HydrophobicContact CE-CD1 4.19Å; M141-L157 HydrophobicContact CE-CD2 3.82Å; M141-L157 HydrophobicContact SD-CD2 3.64Å; L157-L159 PolarHBondContact O-N 3.39Å; L157-S184 CarbonylContact C-O 3.57Å; L157-S184 WeakPolarHBondContact CA-O 3.43Å; L157-F235 CarbonylContact O-C 3.48Å; L157-F235 WeakPolarHBondContact O-CA 3.38Å; L157-L236 HydrophobicContact CB-CB 4.44Å; L157-L236 WeakPolarHBondContact CB-O 3.34Å; L157-L236 PolarHBondContact N-O 3.13Å; L157-L236 PolarHBondContact O-N 2.97Å; L157-V238 HydrophobicContact CD1-CG1 4.22Å; L157-V238 HydrophobicContact CD1-CG2 3.7Å; L157-V238 HydrophobicContact CD2-CG2 4.26Å; L157-V238 HydrophobicContact CG-CG2 3.89Å
158	E	94.3	Very high	88.9	Confident	12 Å²	12	42.2 Å²	42.2	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122	170.6	-176.4	171.8	-169.7	0	0	108.7	A139 S184 P186 S187 R233 F235	A139-E158 VanDerWaalsContact CB-O 3.29Å; A139-E158 WeakPolarHBondContact CB-O 3.5Å; E158-S184 PolarHBondContact N-O 2.76Å; E158-P186 HydrophobicContact CB-CG 4.43Å; E158-P186 VanDerWaalsContact OE2-CA 3.31Å; E158-P186 WeakPolarHBondContact OE2-CA 3.4Å; E158-S187 PolarHBondContact OE2-N 3.48Å; E158-R233 WeakPolarHBondContact OE1-CD 3.48Å; E158-R233 IonicContact OE1-CZ 3.63Å; E158-R233 IonicContact OE1-NE 2.88Å; E158-R233 IonicContact OE1-NH1 2.8Å; E158-R233 PolarHBondContact OE1-NH1 3.18Å; E158-R233 IonicContact OE2-NH1 3.85Å; E158-R233 PolarHBondContact OE2-NH1 2.95Å; E158-F235 HydrophobicContact CB-CD1 4.3Å; E158-F235 HydrophobicContact CB-CE1 3.94Å; E158-F235 HydrophobicContact CG-CE1 4.35Å
159	L	93.3	Very high	88.8	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.5	176.8	-63.7	-174.4	0	0	0	109.8	I41 L121 A137 A139 L157 L234 L236	I41-L159 HydrophobicContact CD1-CD1 4.39Å; L121-L159 HydrophobicContact CB-CD1 4.2Å; A137-L159 HydrophobicContact CB-CB 3.84Å; A139-L159 HydrophobicContact CB-CD2 3.92Å; L157-L159 PolarHBondContact O-N 3.39Å; L159-L234 HydrophobicContact CB-CB 4.23Å; L159-L234 HydrophobicContact CB-CD2 3.93Å; L159-L234 HydrophobicContact CB-CG 4.28Å; L159-L234 HydrophobicContact CD1-CD2 3.93Å; L159-L234 HydrophobicContact CD1-CG 4.34Å; L159-L234 PolarHBondContact N-O 2.94Å; L159-L236 HydrophobicContact CD1-CB 3.97Å; L159-L236 HydrophobicContact CD2-CB 4.21Å; L159-L236 HydrophobicContact CG-CB 4.07Å
160	H	92.2	Very high	88.7	Confident	37 Å²	37	46 Å²	46	17%	0.171	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.8	-177.1	-59.8	-73.1	0	0	0	111	A137 G138 L162 T181 F182 D183	A137-H160 CarbonylContact C-O 3.54Å; A137-H160 WeakPolarHBondContact CA-O 3.43Å; A137-H160 VanDerWaalsContact CB-O 3.31Å; A137-H160 WeakPolarHBondContact CB-O 3.47Å; G138-H160 PolarHBondContact N-O 2.94Å; G138-H160 PolarHBondContact O-N 2.87Å; H160-L162 PolarHBondContact O-N 3.14Å; H160-T181 PolarHBondContact NE2-O 2.8Å; H160-F182 HydrophobicContact CB-CD2 4.46Å; H160-D183 PolarHBondContact NE2-O 3.43Å
161	P	90.1	Very high	88.4	Confident	74 Å²	74	51.9 Å²	51.9	48%	0.481	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	132	176.5	-25.1	34.1	0	0	0	112.4	P164	P161-P164 HydrophobicContact CB-CG 4.22Å
162	L	89.4	Confident	88.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-89	-28.3	-175.6	-71.7	173.6	0	0	0	113.9	V120 L135 I136 H160 L165 G166 V167 L176 F182	V120-L162 HydrophobicContact CG1-CD1 3.72Å; L135-L162 HydrophobicContact CB-CD1 3.86Å; L135-L162 HydrophobicContact CD1-CD1 4.5Å; I136-L162 PolarHBondContact O-N 3.13Å; H160-L162 PolarHBondContact O-N 3.14Å; L162-L165 WeakPolarHBondContact O-CA 3.47Å; L162-L165 WeakPolarHBondContact O-CB 3.43Å; L162-L165 PolarHBondContact O-N 3.36Å; L162-G166 PolarHBondContact O-N 3.38Å; L162-V167 HydrophobicContact CB-CB 4.25Å; L162-V167 HydrophobicContact CB-CG1 4.4Å; L162-V167 HydrophobicContact CD1-CG1 4.32Å; L162-V167 HydrophobicContact CD2-CB 4.25Å; L162-V167 HydrophobicContact CD2-CG1 4.13Å; L162-V167 PolarHBondContact O-N 2.75Å; L162-L176 HydrophobicContact CD2-CD1 3.86Å; L162-F182 HydrophobicContact CD2-CE2 3.69Å; L162-F182 HydrophobicContact CD2-CZ 4.06Å
163	E	83	Confident	88.1	Confident	98 Å²	98	50 Å²	50	46%	0.458	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.8	-45.5	-178.9	-177.7	178	-165.3	0	0	113.1	L165 G166 Y168	E163-L165 PolarHBondContact O-N 3.17Å; E163-G166 PolarHBondContact O-N 3.09Å; E163-Y168 HydrophobicContact CG-CE1 4.42Å
164	P	84.2	Confident	87.9	Confident	110 Å²	110	54.1 Å²	54.1	71%	0.714	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20.3	175.5	-21	34.2	0	0	0	114	P161 G166	P161-P164 HydrophobicContact CB-CG 4.22Å; P164-G166 VanDerWaalsContact C-N 3.33Å
165	L	83.8	Confident	87.7	Confident	76 Å²	76	58.6 Å²	58.6	40%	0.398	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-89.7	0.6	178.6	-57.2	176.9	0	0	0	112.4	L162 E163 V167 L176 F182	L162-L165 WeakPolarHBondContact O-CA 3.47Å; L162-L165 WeakPolarHBondContact O-CB 3.43Å; L162-L165 PolarHBondContact O-N 3.36Å; E163-L165 PolarHBondContact O-N 3.17Å; L165-V167 VanDerWaalsContact C-N 3.29Å; L165-V167 PolarHBondContact O-N 3.48Å; L165-L176 HydrophobicContact CB-CD1 4.19Å; L165-L176 HydrophobicContact CB-CD2 4.4Å; L165-L176 HydrophobicContact CD1-CD1 3.71Å; L165-L176 HydrophobicContact CD1-CD2 4.36Å; L165-F182 HydrophobicContact CD1-CD2 4.37Å
166	G	82.9	Confident	87.4	Confident	41 Å²	41	58.7 Å²	58.7	42%	0.423	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	22.7	179.6	0	0	0	0	0	114.2	L162 E163 P164 Y168	L162-G166 PolarHBondContact O-N 3.38Å; E163-G166 PolarHBondContact O-N 3.09Å; P164-G166 VanDerWaalsContact C-N 3.33Å; G166-Y168 WeakPolarHBondContact O-CD2 3.43Å
167	V	85.3	Confident	86.9	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.042	29%	0.292	C	S	.	.			trans	-99.4	114	-179.8	169.3	0	0	0	0	110.1	L135 L162 L165 D172 V173 L176	L135-V167 HydrophobicContact CD1-CG1 4.3Å; L162-V167 HydrophobicContact CB-CB 4.25Å; L162-V167 HydrophobicContact CB-CG1 4.4Å; L162-V167 HydrophobicContact CD1-CG1 4.32Å; L162-V167 HydrophobicContact CD2-CB 4.25Å; L162-V167 HydrophobicContact CD2-CG1 4.13Å; L162-V167 PolarHBondContact O-N 2.75Å; L165-V167 VanDerWaalsContact C-N 3.29Å; L165-V167 PolarHBondContact O-N 3.48Å; V167-D172 HydrophobicContact CB-CB 4.41Å; V167-D172 HydrophobicContact CG1-CB 4.12Å; V167-D172 HydrophobicContact CG2-CB 4.11Å; V167-V173 HydrophobicContact CG1-CG2 3.69Å; V167-L176 HydrophobicContact CB-CD1 4.4Å; V167-L176 HydrophobicContact CG2-CD1 3.54Å; V167-L176 HydrophobicContact CG2-CG 4.01Å
168	Y	84.3	Confident	86.1	Confident	156 Å²	156	62.4 Å²	62.4	61%	0.612	31%	0.307	S	S	*	.			trans	-118.7	-16.1	-177.8	-57.5	-79.2	0	0	0	113.1	E163 G166	E163-Y168 HydrophobicContact CG-CE1 4.42Å; G166-Y168 WeakPolarHBondContact O-CD2 3.43Å
169	R	86.9	Confident	85.6	Confident	136 Å²	136	66.6 Å²	66.6	51%	0.513	33%	0.326	S	S	.	.	S	Bend	trans	-128.5	152.3	177.6	-56.1	176.1	-62.4	138.5	13.5	109.8	L135 E171 D172	L135-R169 VanDerWaalsContact CD1-C 3.44Å; R169-E171 IonicContact CZ-OE2 2.69Å; R169-E171 IonicContact NH1-OE2 2.97Å; R169-E171 PolarHBondContact NH1-OE2 2.81Å; R169-E171 IonicContact NH2-OE2 3.21Å; R169-E171 PolarHBondContact O-N 3.37Å; R169-D172 WeakPolarHBondContact CB-OD2 3.24Å; R169-D172 IonicContact CZ-OD1 2.96Å; R169-D172 PolarHBondContact N-OD2 3.24Å; R169-D172 IonicContact NE-OD2 2.79Å; R169-D172 IonicContact NH2-OD1 2.69Å; R169-D172 PolarHBondContact NH2-OD1 2.87Å; R169-D172 IonicContact NH2-OD2 2.85Å; R169-D172 WeakPolarHBondContact O-CB 3.31Å; R169-D172 PolarHBondContact O-N 3.07Å
170	L	87.9	Confident	85	Confident	43 Å²	43	71.8 Å²	71.8	23%	0.225	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.3	-179	-71.2	174.9	0	0	0	112.5	N68 W86 V120 L135 D172 V173	N68-L170 HydrophobicContact CB-CD1 4.32Å; N68-L170 HydrophobicContact CB-CD2 4.08Å; W86-L170 HydrophobicContact CB-CD1 4.26Å; W86-L170 HydrophobicContact CD2-CB 4.22Å; W86-L170 HydrophobicContact CD2-CD1 4.09Å; W86-L170 HydrophobicContact CD2-CD2 4.12Å; W86-L170 HydrophobicContact CD2-CG 4.38Å; W86-L170 HydrophobicContact CE3-CD1 4.48Å; W86-L170 HydrophobicContact CE3-CD2 4.07Å; W86-L170 HydrophobicContact CG-CB 4.36Å; W86-L170 HydrophobicContact CG-CD1 3.98Å; W86-L170 HydrophobicContact CH2-CD2 4.13Å; W86-L170 HydrophobicContact CZ2-CB 4.26Å; W86-L170 HydrophobicContact CZ2-CD2 4.2Å; W86-L170 HydrophobicContact CZ3-CD2 4.07Å; V120-L170 HydrophobicContact CB-CD2 4.06Å; V120-L170 HydrophobicContact CG1-CD2 3.87Å; V120-L170 HydrophobicContact CG2-CD2 4.33Å; L135-L170 HydrophobicContact CD1-CD2 4.17Å; L135-L170 HydrophobicContact CD1-CG 4.43Å; L135-L170 HydrophobicContact CD2-CD2 3.92Å; L135-L170 HydrophobicContact CD2-CG 4.25Å; L170-D172 PolarHBondContact O-N 3.09Å; L170-V173 WeakPolarHBondContact O-CB 3.4Å; L170-V173 WeakPolarHBondContact O-CG2 3.46Å; L170-V173 PolarHBondContact O-N 3.19Å
171	E	84.9	Confident	84.5	Confident	130 Å²	130	74.6 Å²	74.6	61%	0.607	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-59.7	-32.7	173.8	-64.1	168	-170.6	0	0	112.8	R169 V173	R169-E171 IonicContact CZ-OE2 2.69Å; R169-E171 IonicContact NH1-OE2 2.97Å; R169-E171 PolarHBondContact NH1-OE2 2.81Å; R169-E171 IonicContact NH2-OE2 3.21Å; R169-E171 PolarHBondContact O-N 3.37Å; E171-V173 VanDerWaalsContact C-N 3.25Å; E171-V173 PolarHBondContact O-N 3.45Å
172	D	86.5	Confident	84.4	Confident	26 Å²	26	71.1 Å²	71.1	14%	0.139	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-76.1	-17.5	-176	-54.5	-45.8	0	0	0	111.7	V167 R169 L170 E174 K175	V167-D172 HydrophobicContact CB-CB 4.41Å; V167-D172 HydrophobicContact CG1-CB 4.12Å; V167-D172 HydrophobicContact CG2-CB 4.11Å; R169-D172 WeakPolarHBondContact CB-OD2 3.24Å; R169-D172 IonicContact CZ-OD1 2.96Å; R169-D172 PolarHBondContact N-OD2 3.24Å; R169-D172 IonicContact NE-OD2 2.79Å; R169-D172 IonicContact NH2-OD1 2.69Å; R169-D172 PolarHBondContact NH2-OD1 2.87Å; R169-D172 IonicContact NH2-OD2 2.85Å; R169-D172 WeakPolarHBondContact O-CB 3.31Å; R169-D172 PolarHBondContact O-N 3.07Å; L170-D172 PolarHBondContact O-N 3.09Å; D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 2.72Å; D172-K175 PolarHBondContact O-N 3.34Å
173	V	86.2	Confident	84.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-66.4	-26.5	-179.8	-178.2	0	0	0	0	112.2	W86 V120 V167 L170 E171 K175 L176 V177 F182	W86-V173 HydrophobicContact CH2-CB 4.29Å; W86-V173 HydrophobicContact CH2-CG1 4.07Å; W86-V173 HydrophobicContact CH2-CG2 4.39Å; W86-V173 HydrophobicContact CZ2-CB 4Å; W86-V173 HydrophobicContact CZ2-CG1 4.2Å; W86-V173 HydrophobicContact CZ2-CG2 4.29Å; V120-V173 HydrophobicContact CG2-CG1 4.27Å; V120-V173 HydrophobicContact CG2-CG2 4.08Å; V167-V173 HydrophobicContact CG1-CG2 3.69Å; L170-V173 WeakPolarHBondContact O-CB 3.4Å; L170-V173 WeakPolarHBondContact O-CG2 3.46Å; L170-V173 PolarHBondContact O-N 3.19Å; E171-V173 VanDerWaalsContact C-N 3.25Å; E171-V173 PolarHBondContact O-N 3.45Å; V173-K175 PolarHBondContact O-N 2.9Å; V173-K175 VanDerWaalsContact O-N 3.12Å; V173-L176 WeakPolarHBondContact O-CB 3.44Å; V173-L176 PolarHBondContact O-N 3.46Å; V173-V177 PolarHBondContact O-N 3.29Å; V173-F182 HydrophobicContact CG1-CE1 4.05Å; V173-F182 HydrophobicContact CG1-CZ 4.22Å
174	E	83.4	Confident	84.7	Confident	89 Å²	89	70.1 Å²	70.1	42%	0.416	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-54.3	-33	178	-175.3	168.2	-142.8	0	0	113.1	S81 I83 D172 L176	S81-E174 VanDerWaalsContact O-OE1 3.05Å; I83-E174 VanDerWaalsContact CD1-CA 3.49Å; I83-E174 HydrophobicContact CD1-CB 3.79Å; I83-E174 HydrophobicContact CD1-CG 4.27Å; I83-E174 HydrophobicContact CG1-CB 4.17Å; I83-E174 HydrophobicContact CG1-CG 4.1Å; D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 2.72Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L176 PolarHBondContact O-N 2.88Å
175	K	83.6	Confident	84.9	Confident	156 Å²	156	71.5 Å²	71.5	68%	0.678	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-69.4	-28	177.4	-60.9	171.6	-175	166.2	0	112.8	D172 V173	D172-K175 PolarHBondContact O-N 3.34Å; V173-K175 PolarHBondContact O-N 2.9Å; V173-K175 VanDerWaalsContact O-N 3.12Å
176	L	85.9	Confident	85.2	Confident	19 Å²	19	68.2 Å²	68.2	10%	0.099	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-18.8	-176.3	-61.1	-175.9	0	0	0	113.6	L162 L165 V167 V173 E174 R178 E179 F182	L162-L176 HydrophobicContact CD2-CD1 3.86Å; L165-L176 HydrophobicContact CB-CD1 4.19Å; L165-L176 HydrophobicContact CB-CD2 4.4Å; L165-L176 HydrophobicContact CD1-CD1 3.71Å; L165-L176 HydrophobicContact CD1-CD2 4.36Å; V167-L176 HydrophobicContact CB-CD1 4.4Å; V167-L176 HydrophobicContact CG2-CD1 3.54Å; V167-L176 HydrophobicContact CG2-CG 4.01Å; V173-L176 WeakPolarHBondContact O-CB 3.44Å; V173-L176 PolarHBondContact O-N 3.46Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L176 PolarHBondContact O-N 2.88Å; L176-R178 PolarHBondContact O-N 3.41Å; L176-E179 HydrophobicContact CD2-CG 4.44Å; L176-E179 WeakPolarHBondContact O-CB 3.31Å; L176-E179 PolarHBondContact O-N 2.96Å; L176-F182 HydrophobicContact CB-CB 4.32Å; L176-F182 HydrophobicContact CB-CD1 3.87Å; L176-F182 HydrophobicContact CB-CD2 4.32Å; L176-F182 HydrophobicContact CB-CE1 4.23Å; L176-F182 HydrophobicContact CB-CG 3.92Å; L176-F182 HydrophobicContact CD1-CD2 4.12Å; L176-F182 HydrophobicContact CD1-CE2 4.04Å; L176-F182 HydrophobicContact CD1-CZ 4.38Å; L176-F182 WeakPolarHBondContact O-CB 3.49Å
177	V	82.5	Confident	85.2	Confident	8 Å²	8	69 Å²	69	5%	0.048	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.9	-172	170	0	0	0	0	113.5	T72 I83 N140 V173	T72-V177 HydrophobicContact CG2-CG1 3.83Å; T72-V177 HydrophobicContact CG2-CG2 3.87Å; I83-V177 HydrophobicContact CD1-CG2 3.7Å; I83-V177 HydrophobicContact CG1-CG2 4.17Å; N140-V177 WeakPolarHBondContact ND2-CG1 3.39Å; N140-V177 PolarHBondContact ND2-O 2.9Å; V173-V177 PolarHBondContact O-N 3.29Å
178	R	76.5	Confident	85.2	Confident	88 Å²	88	75.5 Å²	75.5	33%	0.332	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.3	179.2	-53.3	-169.3	98.5	177.8	8.3	114	D74 I75 L78 S79 S81 L176 P180	D74-R178 IonicContact OD1-CZ 2.95Å; D74-R178 VanDerWaalsContact OD1-CZ 3.25Å; D74-R178 IonicContact OD1-NE 3.01Å; D74-R178 PolarHBondContact OD1-NE 3.04Å; D74-R178 IonicContact OD1-NH2 3.49Å; D74-R178 PolarHBondContact OD1-NH2 2.92Å; I75-R178 PolarHBondContact O-NH2 2.73Å; I75-R178 VanDerWaalsContact O-NH2 3.16Å; L78-R178 VanDerWaalsContact O-CZ 3.25Å; L78-R178 PolarHBondContact O-NH1 3.14Å; L78-R178 PolarHBondContact O-NH2 2.8Å; S79-R178 PolarHBondContact O-NH1 2.87Å; S81-R178 VanDerWaalsContact OG-CD 3.31Å; S81-R178 WeakPolarHBondContact OG-CD 3.49Å; S81-R178 WeakPolarHBondContact OG-CG 3.48Å; L176-R178 PolarHBondContact O-N 3.41Å; R178-P180 WeakPolarHBondContact O-CD 3.37Å
179	E	84.3	Confident	85.3	Confident	100 Å²	100	69.1 Å²	69.1	47%	0.467	34%	0.343	S	S	.	.			trans	-66.6	122.5	-177.1	-70.5	-64.2	157.5	0	0	108.9	L176 T181 F182	L176-E179 HydrophobicContact CD2-CG 4.44Å; L176-E179 WeakPolarHBondContact O-CB 3.31Å; L176-E179 PolarHBondContact O-N 2.96Å; E179-T181 PolarHBondContact O-N 3.17Å; E179-F182 HydrophobicContact CB-CB 4.44Å; E179-F182 PolarHBondContact O-N 3.45Å
180	P	80.6	Confident	85.1	Confident	113 Å²	113	68.7 Å²	68.7	73%	0.734	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57.3	-24.2	-178.7	-25.5	33.9	0	0	0	113.5	R178 F182	R178-P180 WeakPolarHBondContact O-CD 3.37Å; P180-F182 VanDerWaalsContact C-N 3.28Å; P180-F182 PolarHBondContact O-N 3.4Å
181	T	81.7	Confident	84.9	Confident	96 Å²	96	71.6 Å²	71.6	59%	0.589	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-75	-14.8	177.8	55.5	0	0	0	0	113.5	H160 E179 D183	H160-T181 PolarHBondContact NE2-O 2.8Å; E179-T181 PolarHBondContact O-N 3.17Å; T181-D183 VanDerWaalsContact C-N 3.35Å
182	F	88.7	Confident	85	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.009	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-98.6	21.7	179.4	-159.6	-115.9	0	0	0	112.6	G138 N140 H160 L162 L165 V173 L176 E179 P180	G138-F182 WeakPolarHBondContact O-CE2 3.5Å; N140-F182 HydrophobicContact CB-CD1 3.94Å; N140-F182 HydrophobicContact CB-CE1 4.24Å; N140-F182 PolarHBondContact N-O 3.28Å; H160-F182 HydrophobicContact CB-CD2 4.46Å; L162-F182 HydrophobicContact CD2-CE2 3.69Å; L162-F182 HydrophobicContact CD2-CZ 4.06Å; L165-F182 HydrophobicContact CD1-CD2 4.37Å; V173-F182 HydrophobicContact CG1-CE1 4.05Å; V173-F182 HydrophobicContact CG1-CZ 4.22Å; L176-F182 HydrophobicContact CB-CB 4.32Å; L176-F182 HydrophobicContact CB-CD1 3.87Å; L176-F182 HydrophobicContact CB-CD2 4.32Å; L176-F182 HydrophobicContact CB-CE1 4.23Å; L176-F182 HydrophobicContact CB-CG 3.92Å; L176-F182 HydrophobicContact CD1-CD2 4.12Å; L176-F182 HydrophobicContact CD1-CE2 4.04Å; L176-F182 HydrophobicContact CD1-CZ 4.38Å; L176-F182 WeakPolarHBondContact O-CB 3.49Å; E179-F182 HydrophobicContact CB-CB 4.44Å; E179-F182 PolarHBondContact O-N 3.45Å; P180-F182 VanDerWaalsContact C-N 3.28Å; P180-F182 PolarHBondContact O-N 3.4Å
183	D	88.1	Confident	85	Confident	72 Å²	72	66 Å²	66	39%	0.385	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-76.3	141.1	173.6	-175.6	40.3	0	0	0	111.1	H160 T181 K185	H160-D183 PolarHBondContact NE2-O 3.43Å; T181-D183 VanDerWaalsContact C-N 3.35Å; D183-K185 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 2.93Å; D183-K185 WeakPolarHBondContact OD2-CB 3.25Å
184	S	90.7	Very high	85	Confident	4 Å²	4	72.3 Å²	72.3	3%	0.028	37%	0.374	C	S	.	.			trans	-76.8	-7.5	-177.7	67.3	0	0	0	0	114.8	N140 M141 L157 E158 P186	N140-S184 PolarHBondContact O-N 3.14Å; N140-S184 VanDerWaalsContact O-N 3.09Å; M141-S184 WeakPolarHBondContact CB-OG 3.44Å; L157-S184 CarbonylContact C-O 3.57Å; L157-S184 WeakPolarHBondContact CA-O 3.43Å; E158-S184 PolarHBondContact N-O 2.76Å; S184-P186 WeakPolarHBondContact O-CD 3.36Å
185	K	89.2	Confident	85.1	Confident	140 Å²	140	70 Å²	70	61%	0.609	36%	0.364	S	S	*	.	S	Bend	trans	-74.7	124.1	-173.1	-172.5	-173.9	172.7	-164.4	0	111	D183 S187	D183-K185 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 2.93Å; D183-K185 WeakPolarHBondContact OD2-CB 3.25Å; K185-S187 PolarHBondContact O-N 2.93Å; K185-S187 VanDerWaalsContact O-N 3.09Å
186	P	88.7	Confident	85.2	Confident	7 Å²	7	63.4 Å²	63.4	5%	0.045	34%	0.336	C	S	.	.			trans	-58.7	114.8	176.8	-26.3	36.1	0	0	0	112.6	E156 E158 S184 M189 M192 N193 F235	E156-P186 WeakPolarHBondContact O-CD 3.35Å; E156-P186 WeakPolarHBondContact O-CG 3.19Å; E158-P186 HydrophobicContact CB-CG 4.43Å; E158-P186 VanDerWaalsContact OE2-CA 3.31Å; E158-P186 WeakPolarHBondContact OE2-CA 3.4Å; S184-P186 WeakPolarHBondContact O-CD 3.36Å; P186-M189 HydrophobicContact CB-CB 4.4Å; P186-M189 HydrophobicContact CB-SD 4.13Å; P186-M192 HydrophobicContact CB-CE 3.52Å; P186-M192 HydrophobicContact CG-CE 3.69Å; P186-N193 PolarHBondContact O-ND2 2.91Å; P186-F235 HydrophobicContact CB-CE1 4.02Å; P186-F235 HydrophobicContact CG-CD1 4.41Å; P186-F235 HydrophobicContact CG-CE1 3.91Å
187	S	83.8	Confident	85.2	Confident	56 Å²	56	68.7 Å²	68.7	39%	0.392	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	140.2	-179.7	61.9	0	0	0	0	111.4	E158 K185 M189 R233	E158-S187 PolarHBondContact OE2-N 3.48Å; K185-S187 PolarHBondContact O-N 2.93Å; K185-S187 VanDerWaalsContact O-N 3.09Å; S187-M189 VanDerWaalsContact C-N 3.35Å; S187-M189 PolarHBondContact O-N 2.77Å; S187-R233 PolarHBondContact O-NH1 2.75Å; S187-R233 PolarHBondContact OG-NH1 2.93Å
188	N	84.5	Confident	85.2	Confident	145 Å²	145	71.6 Å²	71.6	78%	0.775	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	34.6	-179.8	-55.3	-31.6	0	0	0	115
189	M	87.2	Confident	85.4	Confident	22 Å²	22	69.2 Å²	69.2	11%	0.108	37%	0.373	C	S	.	.			trans	-129.4	54.9	177.7	-62.2	-173.6	77.1	0	0	111.4	P186 S187 T191 M192 N193 A227 F235	P186-M189 HydrophobicContact CB-CB 4.4Å; P186-M189 HydrophobicContact CB-SD 4.13Å; S187-M189 VanDerWaalsContact C-N 3.35Å; S187-M189 PolarHBondContact O-N 2.77Å; M189-T191 PolarHBondContact O-N 2.88Å; M189-M192 HydrophobicContact CB-CB 4.29Å; M189-M192 HydrophobicContact CB-CE 3.91Å; M189-M192 HydrophobicContact CE-CB 4.48Å; M189-M192 HydrophobicContact CE-CE 3.59Å; M189-M192 HydrophobicContact CE-SD 3.55Å; M189-M192 VanDerWaalsContact CE-SD 3.55Å; M189-M192 HydrophobicContact CG-CE 4.36Å; M189-M192 PolarHBondContact O-N 3.23Å; M189-M192 HydrophobicContact SD-CE 3.51Å; M189-M192 VanDerWaalsContact SD-CE 3.51Å; M189-M192 HydrophobicContact SD-SD 4.3Å; M189-N193 WeakPolarHBondContact O-CB 3.31Å; M189-N193 VanDerWaalsContact O-CG 3.32Å; M189-N193 PolarHBondContact O-N 3.16Å; M189-N193 PolarHBondContact O-ND2 2.77Å; M189-A227 HydrophobicContact CE-CB 3.98Å; M189-A227 WeakPolarHBondContact CE-O 3.1Å; M189-F235 HydrophobicContact CE-CZ 4.28Å; M189-F235 HydrophobicContact SD-CE1 4.14Å; M189-F235 HydrophobicContact SD-CZ 3.6Å; M189-F235 VanDerWaalsContact SD-CZ 3.6Å
190	D	83.1	Confident	85.3	Confident	126 Å²	126	66.1 Å²	66.1	67%	0.674	36%	0.357	S	S	*	.	H	α-helix	trans	-59	-42.5	-169.8	-67.5	-37.3	0	0	0	113.6	N193 Q194	D190-N193 PolarHBondContact O-N 2.83Å; D190-Q194 VanDerWaalsContact O-CB 3.27Å; D190-Q194 WeakPolarHBondContact O-CB 3.18Å; D190-Q194 PolarHBondContact O-N 2.92Å
191	T	83.5	Confident	85.2	Confident	105 Å²	105	64.6 Å²	64.6	64%	0.644	34%	0.339	S	S	*	.	H	α-helix	trans	-60.1	-50.5	178.2	-47.9	0	0	0	0	111.4	M189 N193 Q194 I195	M189-T191 PolarHBondContact O-N 2.88Å; T191-N193 PolarHBondContact O-N 3.46Å; T191-Q194 PolarHBondContact O-N 2.95Å; T191-I195 HydrophobicContact CG2-CD1 4.14Å; T191-I195 VanDerWaalsContact O-CG1 3.28Å; T191-I195 WeakPolarHBondContact O-CG1 3.47Å; T191-I195 PolarHBondContact O-N 2.88Å
192	M	86.5	Confident	84.8	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-45.4	177.1	-176.1	-175.9	72.2	0	0	111	P186 M189 Q194 I195 L196 V224 A227 K228 F235	P186-M192 HydrophobicContact CB-CE 3.52Å; P186-M192 HydrophobicContact CG-CE 3.69Å; M189-M192 HydrophobicContact CB-CB 4.29Å; M189-M192 HydrophobicContact CB-CE 3.91Å; M189-M192 HydrophobicContact CE-CB 4.48Å; M189-M192 HydrophobicContact CE-CE 3.59Å; M189-M192 HydrophobicContact CE-SD 3.55Å; M189-M192 VanDerWaalsContact CE-SD 3.55Å; M189-M192 HydrophobicContact CG-CE 4.36Å; M189-M192 PolarHBondContact O-N 3.23Å; M189-M192 HydrophobicContact SD-CE 3.51Å; M189-M192 VanDerWaalsContact SD-CE 3.51Å; M189-M192 HydrophobicContact SD-SD 4.3Å; M192-Q194 VanDerWaalsContact C-N 3.29Å; M192-Q194 PolarHBondContact O-N 2.88Å; M192-I195 PolarHBondContact O-N 3.4Å; M192-L196 HydrophobicContact CG-CD1 3.99Å; M192-L196 HydrophobicContact CG-CG 4.45Å; M192-L196 WeakPolarHBondContact O-CB 3.21Å; M192-L196 VanDerWaalsContact O-CG 3.3Å; M192-L196 WeakPolarHBondContact O-CG 3.2Å; M192-L196 PolarHBondContact O-N 3.49Å; M192-V224 HydrophobicContact CG-CG1 4.07Å; M192-V224 HydrophobicContact CG-CG2 4.28Å; M192-V224 HydrophobicContact SD-CG1 4.23Å; M192-A227 HydrophobicContact CB-CB 4.33Å; M192-A227 HydrophobicContact SD-CB 4.42Å; M192-K228 HydrophobicContact SD-CG 3.86Å; M192-F235 HydrophobicContact CE-CE1 4.24Å
193	N	86.4	Confident	83.9	Confident	32 Å²	32	65 Å²	65	17%	0.171	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-37.4	178.4	-77.2	-32.8	0	0	0	112.3	P186 M189 D190 T191 K197	P186-N193 PolarHBondContact O-ND2 2.91Å; M189-N193 WeakPolarHBondContact O-CB 3.31Å; M189-N193 VanDerWaalsContact O-CG 3.32Å; M189-N193 PolarHBondContact O-N 3.16Å; M189-N193 PolarHBondContact O-ND2 2.77Å; D190-N193 PolarHBondContact O-N 2.83Å; T191-N193 PolarHBondContact O-N 3.46Å; N193-K197 WeakPolarHBondContact O-CB 3.47Å; N193-K197 PolarHBondContact O-N 3.46Å
194	Q	86	Confident	83	Confident	134 Å²	134	63.6 Å²	63.6	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-70.4	-43.1	177.1	-175.3	172.8	-1.6	0	0	111.9	D190 T191 M192 K197 T198	D190-Q194 VanDerWaalsContact O-CB 3.27Å; D190-Q194 WeakPolarHBondContact O-CB 3.18Å; D190-Q194 PolarHBondContact O-N 2.92Å; T191-Q194 PolarHBondContact O-N 2.95Å; M192-Q194 VanDerWaalsContact C-N 3.29Å; M192-Q194 PolarHBondContact O-N 2.88Å; Q194-K197 PolarHBondContact O-N 3.18Å; Q194-T198 WeakPolarHBondContact O-CB 3.37Å; Q194-T198 PolarHBondContact O-N 2.78Å; Q194-T198 PolarHBondContact O-OG1 3.43Å
195	I	85.6	Confident	81.9	Confident	41 Å²	41	69.5 Å²	69.5	21%	0.21	36%	0.357	C	S	.	.	H	α-helix	trans	-58.5	-53.3	174.2	-71	168.5	0	0	0	110	T191 M192 K197 T198 S199 V220 A223 V224	T191-I195 HydrophobicContact CG2-CD1 4.14Å; T191-I195 VanDerWaalsContact O-CG1 3.28Å; T191-I195 WeakPolarHBondContact O-CG1 3.47Å; T191-I195 PolarHBondContact O-N 2.88Å; M192-I195 PolarHBondContact O-N 3.4Å; I195-K197 VanDerWaalsContact C-N 3.3Å; I195-K197 PolarHBondContact O-N 2.93Å; I195-T198 PolarHBondContact O-N 3.3Å; I195-T198 VanDerWaalsContact O-N 3.08Å; I195-S199 PolarHBondContact O-N 3.08Å; I195-V220 HydrophobicContact CG2-CB 4.43Å; I195-V220 HydrophobicContact CG2-CG1 3.42Å; I195-V220 VanDerWaalsContact CG2-CG1 3.42Å; I195-A223 HydrophobicContact CD1-CB 4.37Å; I195-V224 HydrophobicContact CB-CG2 4.42Å; I195-V224 HydrophobicContact CG2-CG2 3.75Å
196	L	85.4	Confident	80.9	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.089	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-37.4	179	-69.4	172.8	0	0	0	112.3	E156 M192 R200 V224	E156-L196 HydrophobicContact CB-CD1 3.97Å; E156-L196 HydrophobicContact CG-CD1 3.69Å; E156-L196 HydrophobicContact CG-CD2 4.07Å; M192-L196 HydrophobicContact CG-CD1 3.99Å; M192-L196 HydrophobicContact CG-CG 4.45Å; M192-L196 WeakPolarHBondContact O-CB 3.21Å; M192-L196 VanDerWaalsContact O-CG 3.3Å; M192-L196 WeakPolarHBondContact O-CG 3.2Å; M192-L196 PolarHBondContact O-N 3.49Å; L196-R200 WeakPolarHBondContact O-CG 3.07Å; L196-R200 VanDerWaalsContact O-CZ 3.31Å; L196-R200 PolarHBondContact O-N 2.95Å; L196-R200 PolarHBondContact O-NE 3.19Å; L196-V224 HydrophobicContact CD2-CG1 4.42Å; L196-V224 HydrophobicContact CD2-CG2 4.37Å; L196-V224 HydrophobicContact CG-CG2 4.49Å
197	K	85.4	Confident	80	Confident	130 Å²	130	69.6 Å²	69.6	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-64.7	-40.4	175.2	-175	179.3	-178.8	-177.9	0	111.4	N193 Q194 I195 R200 K201	N193-K197 WeakPolarHBondContact O-CB 3.47Å; N193-K197 PolarHBondContact O-N 3.46Å; Q194-K197 PolarHBondContact O-N 3.18Å; I195-K197 VanDerWaalsContact C-N 3.3Å; I195-K197 PolarHBondContact O-N 2.93Å; K197-R200 PolarHBondContact O-N 3.47Å; K197-K201 WeakPolarHBondContact O-CG 3.36Å; K197-K201 PolarHBondContact O-N 2.62Å; K197-K201 VanDerWaalsContact O-N 3.13Å
198	T	83	Confident	79.3	Confident	68 Å²	68	74.6 Å²	74.6	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-69.3	-44.1	179.1	-53.9	0	0	0	0	111.1	Q194 I195 R200 K201 H202 L207	Q194-T198 WeakPolarHBondContact O-CB 3.37Å; Q194-T198 PolarHBondContact O-N 2.78Å; Q194-T198 PolarHBondContact O-OG1 3.43Å; I195-T198 PolarHBondContact O-N 3.3Å; I195-T198 VanDerWaalsContact O-N 3.08Å; T198-R200 VanDerWaalsContact C-N 3.33Å; T198-R200 PolarHBondContact O-N 3.33Å; T198-K201 WeakPolarHBondContact O-CB 3.31Å; T198-K201 PolarHBondContact O-N 3.2Å; T198-H202 PolarHBondContact O-N 3Å; T198-L207 HydrophobicContact CG2-CD1 3.93Å
199	S	80.3	Confident	78.4	Confident	39 Å²	39	72.3 Å²	72.3	27%	0.273	37%	0.367	S	S	.	.	H	α-helix	trans	-56.8	-43.6	173	174.8	0	0	0	0	112.2	I195 K201 H202 L203	I195-S199 PolarHBondContact O-N 3.08Å; S199-K201 VanDerWaalsContact C-N 3.34Å; S199-K201 PolarHBondContact O-N 2.81Å; S199-H202 WeakPolarHBondContact O-CB 3.24Å; S199-H202 PolarHBondContact O-N 3.49Å; S199-L203 PolarHBondContact O-N 2.82Å
200	R	82.6	Confident	77.8	Confident	34 Å²	34	74 Å²	74	13%	0.128	38%	0.378	C	S	.	.	H	α-helix	trans	-65.2	-32	174.6	-74	-176.8	-66.8	-96.1	-2.7	114	I154 Y155 L196 K197 T198 R204	I154-R200 PolarHBondContact O-NH1 3.45Å; Y155-R200 VanDerWaalsContact CZ-CD 3.5Å; L196-R200 WeakPolarHBondContact O-CG 3.07Å; L196-R200 VanDerWaalsContact O-CZ 3.31Å; L196-R200 PolarHBondContact O-N 2.95Å; L196-R200 PolarHBondContact O-NE 3.19Å; K197-R200 PolarHBondContact O-N 3.47Å; T198-R200 VanDerWaalsContact C-N 3.33Å; T198-R200 PolarHBondContact O-N 3.33Å; R200-R204 WeakPolarHBondContact O-CG 3.46Å; R200-R204 PolarHBondContact O-N 3.28Å; R200-R204 VanDerWaalsContact O-N 3.16Å
201	K	78	Confident	77.4	Confident	81 Å²	81	73.1 Å²	73.1	35%	0.352	38%	0.379	S	S	.	.	H	α-helix	trans	-68.5	-38.7	173.3	-72.4	-175.2	171.5	-173.1	0	111.8	K197 T198 S199 R204 N205 E206 L207	K197-K201 WeakPolarHBondContact O-CG 3.36Å; K197-K201 PolarHBondContact O-N 2.62Å; K197-K201 VanDerWaalsContact O-N 3.13Å; T198-K201 WeakPolarHBondContact O-CB 3.31Å; T198-K201 PolarHBondContact O-N 3.2Å; S199-K201 VanDerWaalsContact C-N 3.34Å; S199-K201 PolarHBondContact O-N 2.81Å; K201-R204 WeakPolarHBondContact O-CB 3.4Å; K201-R204 PolarHBondContact O-N 2.67Å; K201-R204 VanDerWaalsContact O-N 3.12Å; K201-N205 PolarHBondContact O-N 3.24Å; K201-E206 HydrophobicContact CB-CB 4.22Å; K201-E206 WeakPolarHBondContact CG-OE2 3.18Å; K201-E206 WeakPolarHBondContact O-CB 3.48Å; K201-E206 PolarHBondContact O-N 2.83Å; K201-L207 HydrophobicContact CB-CD1 3.84Å; K201-L207 HydrophobicContact CB-CG 4.07Å
202	H	74.6	Confident	77.1	Confident	37 Å²	37	74.1 Å²	74.1	17%	0.171	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-47.8	173.9	-167.1	83.2	0	0	0	110.9	T198 S199 R204 N205	T198-H202 PolarHBondContact O-N 3Å; S199-H202 WeakPolarHBondContact O-CB 3.24Å; S199-H202 PolarHBondContact O-N 3.49Å; H202-R204 PolarHBondContact O-N 2.62Å; H202-R204 VanDerWaalsContact O-N 3.16Å; H202-N205 PolarHBondContact O-N 3.17Å
203	L	70.4	Confident	76.4	Confident	70 Å²	70	76.4 Å²	76.4	37%	0.366	39%	0.392	S	S	.	.	H	α-helix	trans	-56.3	-31.2	172.7	-83.6	154.8	0	0	0	113.4	S199 N205 Y250	S199-L203 PolarHBondContact O-N 2.82Å; L203-N205 PolarHBondContact O-N 3.13Å; L203-Y250 HydrophobicContact CB-CE2 4.12Å; L203-Y250 WeakPolarHBondContact O-CD2 3.46Å; L203-Y250 WeakPolarHBondContact O-CE1 3.36Å; L203-Y250 WeakPolarHBondContact O-CE2 3.45Å
204	R	69	Low	75.6	Confident	42 Å²	42	83.1 Å²	83.1	16%	0.158	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.9	176.5	-71.6	173.2	-167.9	171.9	4.8	114.5	R200 K201 H202 E206 Y250	R200-R204 WeakPolarHBondContact O-CG 3.46Å; R200-R204 PolarHBondContact O-N 3.28Å; R200-R204 VanDerWaalsContact O-N 3.16Å; K201-R204 WeakPolarHBondContact O-CB 3.4Å; K201-R204 PolarHBondContact O-N 2.67Å; K201-R204 VanDerWaalsContact O-N 3.12Å; H202-R204 PolarHBondContact O-N 2.62Å; H202-R204 VanDerWaalsContact O-N 3.16Å; R204-E206 HydrophobicContact CB-CB 4.36Å; R204-E206 HydrophobicContact CB-CG 3.71Å; R204-E206 WeakPolarHBondContact CD-OE1 3.4Å; R204-E206 IonicContact NH1-OE1 3.92Å; R204-E206 PolarHBondContact O-N 3.12Å; R204-Y250 VanDerWaalsContact CA-CE1 3.49Å; R204-Y250 WeakPolarHBondContact CA-OH 3.04Å; R204-Y250 HydrophobicContact CB-CE1 4.16Å; R204-Y250 HydrophobicContact CG-CE1 3.91Å; R204-Y250 WeakPolarHBondContact CG-OH 3.38Å
205	N	66.1	Low	75.3	Confident	129 Å²	129	84 Å²	84	69%	0.69	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	28.7	-165.5	-61.1	-29.8	0	0	0	112.3	K201 H202 L203 L207	K201-N205 PolarHBondContact O-N 3.24Å; H202-N205 PolarHBondContact O-N 3.17Å; L203-N205 PolarHBondContact O-N 3.13Å; N205-L207 VanDerWaalsContact C-N 3.26Å
206	E	67.8	Low	75	Confident	75 Å²	75	84.6 Å²	84.6	35%	0.35	43%	0.427	S	S	.	.			trans	-79.2	-14.5	172.3	-73	175.8	-155.8	0	0	111.7	L6 K201 R204	L6-E206 HydrophobicContact CD1-CG 4.33Å; L6-E206 HydrophobicContact CD2-CG 4.42Å; K201-E206 HydrophobicContact CB-CB 4.22Å; K201-E206 WeakPolarHBondContact CG-OE2 3.18Å; K201-E206 WeakPolarHBondContact O-CB 3.48Å; K201-E206 PolarHBondContact O-N 2.83Å; R204-E206 HydrophobicContact CB-CB 4.36Å; R204-E206 HydrophobicContact CB-CG 3.71Å; R204-E206 WeakPolarHBondContact CD-OE1 3.4Å; R204-E206 IonicContact NH1-OE1 3.92Å; R204-E206 PolarHBondContact O-N 3.12Å
207	L	70.2	Confident	74.5	Confident	74 Å²	74	86.9 Å²	86.9	39%	0.387	44%	0.438	S	S	.	.	S	Bend	trans	-120.1	140.1	177.8	-62.5	172.6	0	0	0	108.9	T198 K201 N205 E209	T198-L207 HydrophobicContact CG2-CD1 3.93Å; K201-L207 HydrophobicContact CB-CD1 3.84Å; K201-L207 HydrophobicContact CB-CG 4.07Å; N205-L207 VanDerWaalsContact C-N 3.26Å; L207-E209 PolarHBondContact O-N 3.37Å
208	L	69.1	Low	74.3	Confident	161 Å²	161	84.4 Å²	84.4	84%	0.843	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-73.2	120.4	173.7	-165.1	83.5	0	0	0	108.6	T210	L208-T210 PolarHBondContact O-N 3.3Å
209	E	66.7	Low	74.3	Confident	96 Å²	96	86.5 Å²	86.5	45%	0.449	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-67.5	122.4	177.4	-175.2	179.4	178.3	0	0	110.3	L207 R214	L207-E209 PolarHBondContact O-N 3.37Å; E209-R214 IonicContact OE1-CZ 3.87Å; E209-R214 IonicContact OE1-NE 2.79Å; E209-R214 PolarHBondContact OE1-NE 3.11Å; E209-R214 IonicContact OE1-NH2 2.74Å; E209-R214 PolarHBondContact OE1-NH2 3.2Å; E209-R214 IonicContact OE2-NH2 3.4Å
210	T	74.3	Confident	74.4	Confident	58 Å²	58	87 Å²	87	36%	0.356	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-101.8	152.4	171.1	67.9	0	0	0	0	109.7	L208 L212 D213	L208-T210 PolarHBondContact O-N 3.3Å; T210-L212 PolarHBondContact O-N 2.86Å; T210-L212 VanDerWaalsContact O-N 3.11Å; T210-D213 PolarHBondContact N-OD2 2.99Å; T210-D213 WeakPolarHBondContact O-CB 3.26Å; T210-D213 PolarHBondContact O-N 3.36Å; T210-D213 PolarHBondContact OG1-N 3Å; T210-D213 PolarHBondContact OG1-OD2 3.17Å
211	P	73.9	Confident	74.4	Confident	107 Å²	107	91.6 Å²	91.6	70%	0.695	47%	0.468	S	S	*	.	H	α-helix	trans	-56	-28.4	174	-26	34.7	0	0	0	113.5	D213 R214 H215	P211-D213 VanDerWaalsContact C-N 3.3Å; P211-D213 PolarHBondContact O-N 3.06Å; P211-R214 PolarHBondContact O-N 3.22Å; P211-H215 PolarHBondContact O-CD2 3.46Å
212	L	76.8	Confident	74.8	Confident	126 Å²	126	92.6 Å²	92.6	66%	0.66	47%	0.474	S	S	*	.	H	α-helix	trans	-63.5	-36.4	176.7	-136.6	80.6	0	0	0	111.7	T210 R214 H215 C216	T210-L212 PolarHBondContact O-N 2.86Å; T210-L212 VanDerWaalsContact O-N 3.11Å; L212-R214 VanDerWaalsContact C-N 3.28Å; L212-R214 PolarHBondContact O-N 2.92Å; L212-H215 PolarHBondContact O-N 2.69Å; L212-H215 VanDerWaalsContact O-N 3.11Å; L212-C216 PolarHBondContact O-N 2.83Å; L212-C216 PolarHBondContact O-SG 3.41Å; L212-C216 VanDerWaalsContact O-SG 3.41Å
213	D	73.2	Confident	75.4	Confident	53 Å²	53	92.8 Å²	92.8	28%	0.283	48%	0.482	S	S	.	.	H	α-helix	trans	-60.2	-38.5	-178.6	-62.7	-46.2	0	0	0	111.5	T210 P211 H215 C216 M217	T210-D213 PolarHBondContact N-OD2 2.99Å; T210-D213 WeakPolarHBondContact O-CB 3.26Å; T210-D213 PolarHBondContact O-N 3.36Å; T210-D213 PolarHBondContact OG1-N 3Å; T210-D213 PolarHBondContact OG1-OD2 3.17Å; P211-D213 VanDerWaalsContact C-N 3.3Å; P211-D213 PolarHBondContact O-N 3.06Å; D213-H215 VanDerWaalsContact C-N 3.3Å; D213-H215 PolarHBondContact O-N 3.27Å; D213-C216 PolarHBondContact O-N 2.87Å; D213-M217 WeakPolarHBondContact O-CG 3.3Å; D213-M217 PolarHBondContact O-N 2.91Å
214	R	70.2	Confident	76.2	Confident	173 Å²	173	90 Å²	90	65%	0.653	47%	0.467	S	S	*	.	H	α-helix	trans	-64.3	-33.2	178.2	-68.9	-174.2	-177.6	174.9	2.1	113.3	E209 P211 L212	E209-R214 IonicContact OE1-CZ 3.87Å; E209-R214 IonicContact OE1-NE 2.79Å; E209-R214 PolarHBondContact OE1-NE 3.11Å; E209-R214 IonicContact OE1-NH2 2.74Å; E209-R214 PolarHBondContact OE1-NH2 3.2Å; E209-R214 IonicContact OE2-NH2 3.4Å; P211-R214 PolarHBondContact O-N 3.22Å; L212-R214 VanDerWaalsContact C-N 3.28Å; L212-R214 PolarHBondContact O-N 2.92Å
215	H	77.8	Confident	77	Confident	152 Å²	152	90.8 Å²	90.8	70%	0.704	47%	0.474	S	S	*	.	H	α-helix	trans	-78.3	-28.1	178.4	-74.2	-71.2	0	0	0	112.5	P211 L212 D213 P218	P211-H215 PolarHBondContact O-CD2 3.46Å; L212-H215 PolarHBondContact O-N 2.69Å; L212-H215 VanDerWaalsContact O-N 3.11Å; D213-H215 VanDerWaalsContact C-N 3.3Å; D213-H215 PolarHBondContact O-N 3.27Å; H215-P218 WeakPolarHBondContact O-CD 3.41Å
216	C	79.2	Confident	78	Confident	55 Å²	55	89.6 Å²	89.6	37%	0.372	47%	0.465	S	S	.	.	H	α-helix	trans	-85	-14	-179.7	-63.4	0	0	0	0	114.3	L212 D213 D219 V220	L212-C216 PolarHBondContact O-N 2.83Å; L212-C216 PolarHBondContact O-SG 3.41Å; L212-C216 VanDerWaalsContact O-SG 3.41Å; D213-C216 PolarHBondContact O-N 2.87Å; C216-D219 PolarHBondContact O-N 2.84Å; C216-V220 WeakPolarHBondContact O-CG2 3.18Å; C216-V220 PolarHBondContact O-N 2.84Å
217	M	75.2	Confident	79	Confident	64 Å²	64	87.5 Å²	87.5	32%	0.315	46%	0.461	S	S	.	.	H	α-helix	trans	-58.2	-43.9	-177.9	-73.7	-64.5	176	0	0	114.3	D213 D219 V220 E221	D213-M217 WeakPolarHBondContact O-CG 3.3Å; D213-M217 PolarHBondContact O-N 2.91Å; M217-D219 VanDerWaalsContact C-N 3.32Å; M217-D219 PolarHBondContact O-N 2.89Å; M217-V220 WeakPolarHBondContact O-CB 3.16Å; M217-V220 PolarHBondContact O-N 2.83Å; M217-E221 PolarHBondContact O-N 3.09Å
218	P	81.4	Confident	79.9	Confident	79 Å²	79	84.2 Å²	84.2	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-38.2	176.6	-23	34.8	0	0	0	113	H215 V220 E221 H222	H215-P218 WeakPolarHBondContact O-CD 3.41Å; P218-V220 VanDerWaalsContact C-N 3.31Å; P218-V220 PolarHBondContact O-N 3.46Å; P218-E221 PolarHBondContact O-N 3.02Å; P218-H222 WeakPolarHBondContact O-CB 3.13Å; P218-H222 PolarHBondContact O-N 3.49Å
219	D	83.5	Confident	80.6	Confident	112 Å²	112	83.4 Å²	83.4	60%	0.599	43%	0.429	S	S	*	.	H	α-helix	trans	-66.5	-37	177.2	-60.1	-35.4	0	0	0	111.2	C216 M217 H222 A223	C216-D219 PolarHBondContact O-N 2.84Å; M217-D219 VanDerWaalsContact C-N 3.32Å; M217-D219 PolarHBondContact O-N 2.89Å; D219-H222 PolarHBondContact O-N 2.99Å; D219-A223 WeakPolarHBondContact O-CB 3.46Å; D219-A223 PolarHBondContact O-N 2.87Å
220	V	82.4	Confident	81.6	Confident	48 Å²	48	83 Å²	83	29%	0.291	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-46.4	175	159.5	0	0	0	0	111.4	I195 C216 M217 P218 A223 V224	I195-V220 HydrophobicContact CG2-CB 4.43Å; I195-V220 HydrophobicContact CG2-CG1 3.42Å; I195-V220 VanDerWaalsContact CG2-CG1 3.42Å; C216-V220 WeakPolarHBondContact O-CG2 3.18Å; C216-V220 PolarHBondContact O-N 2.84Å; M217-V220 WeakPolarHBondContact O-CB 3.16Å; M217-V220 PolarHBondContact O-N 2.83Å; P218-V220 VanDerWaalsContact C-N 3.31Å; P218-V220 PolarHBondContact O-N 3.46Å; V220-A223 PolarHBondContact O-N 3.21Å; V220-V224 WeakPolarHBondContact O-CG2 3.48Å; V220-V224 PolarHBondContact O-N 3.33Å; V220-V224 VanDerWaalsContact O-N 3.11Å
221	E	82.3	Confident	82.2	Confident	131 Å²	131	82 Å²	82	61%	0.612	44%	0.437	S	S	*	.	H	α-helix	trans	-62.4	-45.1	176.4	-71.3	179.3	174.3	0	0	111.1	M217 P218 A223 V224 D225	M217-E221 PolarHBondContact O-N 3.09Å; P218-E221 PolarHBondContact O-N 3.02Å; E221-A223 PolarHBondContact O-N 2.79Å; E221-V224 PolarHBondContact O-N 2.85Å; E221-D225 PolarHBondContact O-N 2.88Å
222	H	86.4	Confident	82.8	Confident	103 Å²	103	78.6 Å²	78.6	48%	0.477	42%	0.422	S	S	.	.	H	α-helix	trans	-59.3	-45.3	176.8	-175	-82.3	0	0	0	112.1	P218 D219 V224 D225 E226	P218-H222 WeakPolarHBondContact O-CB 3.13Å; P218-H222 PolarHBondContact O-N 3.49Å; D219-H222 PolarHBondContact O-N 2.99Å; H222-V224 VanDerWaalsContact C-N 3.33Å; H222-V224 PolarHBondContact O-N 2.93Å; H222-D225 PolarHBondContact O-N 2.77Å; H222-E226 IonicContact CE1-OE2 3.82Å; H222-E226 PolarHBondContact CE1-OE2 2.87Å; H222-E226 IonicContact ND1-OE2 2.66Å; H222-E226 WeakPolarHBondContact O-CB 3.48Å; H222-E226 PolarHBondContact O-N 3.15Å
223	A	87	Confident	83.4	Confident	41 Å²	41	76.5 Å²	76.5	34%	0.339	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-37.7	178.9	0	0	0	0	0	112.7	I195 D219 V220 E221 A227	I195-A223 HydrophobicContact CD1-CB 4.37Å; D219-A223 WeakPolarHBondContact O-CB 3.46Å; D219-A223 PolarHBondContact O-N 2.87Å; V220-A223 PolarHBondContact O-N 3.21Å; E221-A223 PolarHBondContact O-N 2.79Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 2.9Å
224	V	87.4	Confident	84.3	Confident	10 Å²	10	74.6 Å²	74.6	6%	0.061	40%	0.395	C	S	.	.	H	α-helix	trans	-67.6	-44.8	175.8	171.2	0	0	0	0	110.7	E156 M192 I195 L196 V220 E221 H222 A227 K228	E156-V224 HydrophobicContact CG-CG1 4.29Å; M192-V224 HydrophobicContact CG-CG1 4.07Å; M192-V224 HydrophobicContact CG-CG2 4.28Å; M192-V224 HydrophobicContact SD-CG1 4.23Å; I195-V224 HydrophobicContact CB-CG2 4.42Å; I195-V224 HydrophobicContact CG2-CG2 3.75Å; L196-V224 HydrophobicContact CD2-CG1 4.42Å; L196-V224 HydrophobicContact CD2-CG2 4.37Å; L196-V224 HydrophobicContact CG-CG2 4.49Å; V220-V224 WeakPolarHBondContact O-CG2 3.48Å; V220-V224 PolarHBondContact O-N 3.33Å; V220-V224 VanDerWaalsContact O-N 3.11Å; E221-V224 PolarHBondContact O-N 2.85Å; H222-V224 VanDerWaalsContact C-N 3.33Å; H222-V224 PolarHBondContact O-N 2.93Å; V224-A227 PolarHBondContact O-N 2.79Å; V224-K228 HydrophobicContact CG1-CD 4.48Å; V224-K228 WeakPolarHBondContact O-CG 3.47Å; V224-K228 PolarHBondContact O-N 2.93Å
225	D	85.9	Confident	85.4	Confident	59 Å²	59	66.4 Å²	66.4	32%	0.316	36%	0.364	S	S	.	.	H	α-helix	trans	-67	-37.2	178.8	-78.5	-14.2	0	0	0	113.1	E221 H222 K228 R229	E221-D225 PolarHBondContact O-N 2.88Å; H222-D225 PolarHBondContact O-N 2.77Å; D225-K228 PolarHBondContact O-N 2.91Å; D225-K228 WeakPolarHBondContact OD1-CE 3.22Å; D225-K228 IonicContact OD1-NZ 2.76Å; D225-K228 PolarHBondContact OD1-NZ 2.78Å; D225-R229 WeakPolarHBondContact O-CB 2.9Å; D225-R229 PolarHBondContact O-N 3.22Å
226	E	87.2	Confident	86.1	Confident	104 Å²	104	59.1 Å²	59.1	49%	0.486	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-44.4	173.5	-171.6	174.8	-179.6	0	0	111.3	H222 K228 R229 A230	H222-E226 IonicContact CE1-OE2 3.82Å; H222-E226 PolarHBondContact CE1-OE2 2.87Å; H222-E226 IonicContact ND1-OE2 2.66Å; H222-E226 WeakPolarHBondContact O-CB 3.48Å; H222-E226 PolarHBondContact O-N 3.15Å; E226-K228 PolarHBondContact O-N 2.97Å; E226-R229 PolarHBondContact O-N 3.17Å; E226-A230 VanDerWaalsContact O-CB 3.29Å; E226-A230 WeakPolarHBondContact O-CB 3.34Å; E226-A230 PolarHBondContact O-N 3.45Å
227	A	88.2	Confident	86.8	Confident	32 Å²	32	56.9 Å²	56.9	26%	0.264	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-42.1	175.7	0	0	0	0	0	112.3	M189 M192 A223 V224 S231	M189-A227 HydrophobicContact CE-CB 3.98Å; M189-A227 WeakPolarHBondContact CE-O 3.1Å; M192-A227 HydrophobicContact CB-CB 4.33Å; M192-A227 HydrophobicContact SD-CB 4.42Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 2.9Å; V224-A227 PolarHBondContact O-N 2.79Å; A227-S231 PolarHBondContact O-N 2.71Å
228	K	89.4	Confident	87.7	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-50.5	174.4	-73.6	-176.2	-63.9	179.8	0	111.2	T42 E156 M192 V224 D225 E226 A230 S231 F235	T42-K228 HydrophobicContact CG2-CB 4Å; T42-K228 HydrophobicContact CG2-CD 4.4Å; T42-K228 PolarHBondContact OG1-NZ 2.81Å; E156-K228 HydrophobicContact CG-CD 4.48Å; E156-K228 VanDerWaalsContact OE2-CD 3.31Å; E156-K228 WeakPolarHBondContact OE2-CD 3.45Å; E156-K228 IonicContact OE2-NZ 3.68Å; E156-K228 PolarHBondContact OE2-NZ 2.81Å; M192-K228 HydrophobicContact SD-CG 3.86Å; V224-K228 HydrophobicContact CG1-CD 4.48Å; V224-K228 WeakPolarHBondContact O-CG 3.47Å; V224-K228 PolarHBondContact O-N 2.93Å; D225-K228 PolarHBondContact O-N 2.91Å; D225-K228 WeakPolarHBondContact OD1-CE 3.22Å; D225-K228 IonicContact OD1-NZ 2.76Å; D225-K228 PolarHBondContact OD1-NZ 2.78Å; E226-K228 PolarHBondContact O-N 2.97Å; K228-A230 PolarHBondContact O-N 2.98Å; K228-S231 PolarHBondContact O-N 3.42Å; K228-S231 PolarHBondContact O-OG 3.15Å; K228-F235 HydrophobicContact CB-CD2 3.95Å; K228-F235 HydrophobicContact CB-CE2 4.2Å; K228-F235 HydrophobicContact CD-CB 3.95Å; K228-F235 HydrophobicContact CD-CD2 4.16Å; K228-F235 HydrophobicContact CD-CG 3.97Å; K228-F235 HydrophobicContact CG-CD1 4.48Å; K228-F235 HydrophobicContact CG-CD2 3.81Å; K228-F235 HydrophobicContact CG-CE2 4.12Å; K228-F235 HydrophobicContact CG-CG 4Å
229	R	84.9	Confident	88.2	Confident	144 Å²	144	53.5 Å²	53.5	54%	0.543	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-45	179.2	-82.7	-176	-98.2	110.8	-3.7	112.3	D225 E226 S231 G232	D225-R229 WeakPolarHBondContact O-CB 2.9Å; D225-R229 PolarHBondContact O-N 3.22Å; E226-R229 PolarHBondContact O-N 3.17Å; R229-S231 PolarHBondContact O-N 3.32Å; R229-G232 PolarHBondContact O-N 3.39Å
230	A	86.6	Confident	88.6	Confident	88 Å²	88	48.3 Å²	48.3	73%	0.727	26%	0.263	S	S	*	.	H	α-helix	trans	-64	-28.5	-179.8	0	0	0	0	0	113.1	E226 K228 G232	E226-A230 VanDerWaalsContact O-CB 3.29Å; E226-A230 WeakPolarHBondContact O-CB 3.34Å; E226-A230 PolarHBondContact O-N 3.45Å; K228-A230 PolarHBondContact O-N 2.98Å; A230-G232 VanDerWaalsContact C-N 3.3Å; A230-G232 PolarHBondContact O-N 3.24Å
231	S	88.3	Confident	88.8	Confident	36 Å²	36	48 Å²	48	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-71.3	-23	179.5	78.2	0	0	0	0	113.9	A227 K228 R229 R233 F235	A227-S231 PolarHBondContact O-N 2.71Å; K228-S231 PolarHBondContact O-N 3.42Å; K228-S231 PolarHBondContact O-OG 3.15Å; R229-S231 PolarHBondContact O-N 3.32Å; S231-R233 WeakPolarHBondContact O-CG 3.21Å; S231-R233 PolarHBondContact O-N 3.22Å; S231-R233 PolarHBondContact OG-N 3.33Å; S231-F235 VanDerWaalsContact OG-CE2 3.31Å; S231-F235 WeakPolarHBondContact OG-CE2 3.34Å
232	G	85.2	Confident	89.1	Confident	37 Å²	37	42.2 Å²	42.2	38%	0.381	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	7.7	-173.8	0	0	0	0	0	115.3	R48 R229 A230	R48-G232 PolarHBondContact NH1-O 3.32Å; R229-G232 PolarHBondContact O-N 3.39Å; A230-G232 VanDerWaalsContact C-N 3.3Å; A230-G232 PolarHBondContact O-N 3.24Å
233	R	90.1	Very high	89.1	Confident	82 Å²	82	37.3 Å²	37.3	31%	0.309	21%	0.209	S	C	.	.			trans	-95.5	166.3	-178.8	-46	-170.9	-164.7	160.1	5.5	111.7	E158 S187 S231 F235	E158-R233 WeakPolarHBondContact OE1-CD 3.48Å; E158-R233 IonicContact OE1-CZ 3.63Å; E158-R233 IonicContact OE1-NE 2.88Å; E158-R233 IonicContact OE1-NH1 2.8Å; E158-R233 PolarHBondContact OE1-NH1 3.18Å; E158-R233 IonicContact OE2-NH1 3.85Å; E158-R233 PolarHBondContact OE2-NH1 2.95Å; S187-R233 PolarHBondContact O-NH1 2.75Å; S187-R233 PolarHBondContact OG-NH1 2.93Å; S231-R233 WeakPolarHBondContact O-CG 3.21Å; S231-R233 PolarHBondContact O-N 3.22Å; S231-R233 PolarHBondContact OG-N 3.33Å; R233-F235 HydrophobicContact CB-CE2 3.82Å; R233-F235 HydrophobicContact CB-CZ 4.14Å
234	L	90.9	Very high	88.9	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.068	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.6	-177.3	-161.6	74.2	0	0	0	110.5	I41 T42 F44 L121 A137 L159	I41-L234 HydrophobicContact CD1-CD1 3.91Å; I41-L234 HydrophobicContact CD1-CD2 4.12Å; I41-L234 HydrophobicContact CD1-CG 4.01Å; I41-L234 HydrophobicContact CG1-CD1 4.08Å; I41-L234 HydrophobicContact CG1-CG 4.31Å; T42-L234 WeakPolarHBondContact O-CA 3.35Å; F44-L234 HydrophobicContact CB-CD1 3.73Å; F44-L234 HydrophobicContact CD2-CD1 4.3Å; L121-L234 HydrophobicContact CD2-CD2 3.68Å; A137-L234 HydrophobicContact CB-CD2 3.59Å; L159-L234 HydrophobicContact CB-CB 4.23Å; L159-L234 HydrophobicContact CB-CD2 3.93Å; L159-L234 HydrophobicContact CB-CG 4.28Å; L159-L234 HydrophobicContact CD1-CD2 3.93Å; L159-L234 HydrophobicContact CD1-CG 4.34Å; L159-L234 PolarHBondContact N-O 2.94Å
235	F	93.3	Very high	88.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	179.2	-65	-88.6	0	0	0	112.1	I41 T42 L157 E158 P186 M189 M192 K228 S231 R233	I41-F235 CarbonylContact C-O 3.6Å; I41-F235 WeakPolarHBondContact CA-O 2.93Å; I41-F235 WeakPolarHBondContact CG1-O 3.34Å; T42-F235 PolarHBondContact N-O 3.36Å; T42-F235 PolarHBondContact O-N 3.23Å; L157-F235 CarbonylContact O-C 3.48Å; L157-F235 WeakPolarHBondContact O-CA 3.38Å; E158-F235 HydrophobicContact CB-CD1 4.3Å; E158-F235 HydrophobicContact CB-CE1 3.94Å; E158-F235 HydrophobicContact CG-CE1 4.35Å; P186-F235 HydrophobicContact CB-CE1 4.02Å; P186-F235 HydrophobicContact CG-CD1 4.41Å; P186-F235 HydrophobicContact CG-CE1 3.91Å; M189-F235 HydrophobicContact CE-CZ 4.28Å; M189-F235 HydrophobicContact SD-CE1 4.14Å; M189-F235 HydrophobicContact SD-CZ 3.6Å; M189-F235 VanDerWaalsContact SD-CZ 3.6Å; M192-F235 HydrophobicContact CE-CE1 4.24Å; K228-F235 HydrophobicContact CB-CD2 3.95Å; K228-F235 HydrophobicContact CB-CE2 4.2Å; K228-F235 HydrophobicContact CD-CB 3.95Å; K228-F235 HydrophobicContact CD-CD2 4.16Å; K228-F235 HydrophobicContact CD-CG 3.97Å; K228-F235 HydrophobicContact CG-CD1 4.48Å; K228-F235 HydrophobicContact CG-CD2 3.81Å; K228-F235 HydrophobicContact CG-CE2 4.12Å; K228-F235 HydrophobicContact CG-CG 4Å; S231-F235 VanDerWaalsContact OG-CE2 3.31Å; S231-F235 WeakPolarHBondContact OG-CE2 3.34Å; R233-F235 HydrophobicContact CB-CE2 3.82Å; R233-F235 HydrophobicContact CB-CZ 4.14Å
236	L	93.7	Very high	88.1	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.6	168.2	-178	69.6	0	0	0	109.7	I38 N40 I67 F119 L157 L159 V238	I38-L236 HydrophobicContact CG2-CD1 3.78Å; N40-L236 WeakPolarHBondContact O-CD1 3.48Å; I67-L236 HydrophobicContact CD1-CD1 3.95Å; I67-L236 HydrophobicContact CD1-CD2 4.34Å; I67-L236 HydrophobicContact CG1-CD1 4.18Å; I67-L236 HydrophobicContact CG2-CD2 4.31Å; F119-L236 HydrophobicContact CB-CD2 3.94Å; F119-L236 HydrophobicContact CD1-CD2 3.96Å; F119-L236 HydrophobicContact CD2-CD2 4.39Å; F119-L236 HydrophobicContact CG-CD2 3.85Å; L157-L236 HydrophobicContact CB-CB 4.44Å; L157-L236 WeakPolarHBondContact CB-O 3.34Å; L157-L236 PolarHBondContact N-O 3.13Å; L157-L236 PolarHBondContact O-N 2.97Å; L159-L236 HydrophobicContact CD1-CB 3.97Å; L159-L236 HydrophobicContact CD2-CB 4.21Å; L159-L236 HydrophobicContact CG-CB 4.07Å; L236-V238 HydrophobicContact CD2-CG1 3.82Å; L236-V238 HydrophobicContact CG-CG1 3.91Å
237	S	93.2	Very high	87.3	Confident	8 Å²	8	44.4 Å²	44.4	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.1	173.3	-171	0	0	0	0	109.8	M39 N40 E156	M39-S237 WeakPolarHBondContact CB-O 3.48Å; M39-S237 PolarHBondContact N-O 2.97Å; N40-S237 PolarHBondContact O-N 3.34Å; N40-S237 VanDerWaalsContact OD1-CB 3.25Å; N40-S237 WeakPolarHBondContact OD1-CB 3.01Å; E156-S237 VanDerWaalsContact OE1-CB 3.26Å; E156-S237 WeakPolarHBondContact OE1-CB 3.43Å; E156-S237 PolarHBondContact OE1-OG 3.44Å
238	V	93.6	Very high	86.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.9	177.3	-61.2	0	0	0	0	111	I36 K37 F119 I154 Y155 L157 L236 F240	I36-V238 HydrophobicContact CG2-CB 4.4Å; K37-V238 CarbonylContact O-C 3.38Å; K37-V238 WeakPolarHBondContact O-CA 3.37Å; F119-V238 HydrophobicContact CE2-CG1 4.41Å; F119-V238 HydrophobicContact CZ-CG1 4.17Å; I154-V238 CarbonylContact C-O 3.57Å; I154-V238 WeakPolarHBondContact CA-O 3.49Å; Y155-V238 PolarHBondContact N-O 3.01Å; Y155-V238 PolarHBondContact O-N 3.13Å; L157-V238 HydrophobicContact CD1-CG1 4.22Å; L157-V238 HydrophobicContact CD1-CG2 3.7Å; L157-V238 HydrophobicContact CD2-CG2 4.26Å; L157-V238 HydrophobicContact CG-CG2 3.89Å; L236-V238 HydrophobicContact CD2-CG1 3.82Å; L236-V238 HydrophobicContact CG-CG1 3.91Å; V238-F240 HydrophobicContact CG2-CD2 4.36Å; V238-F240 HydrophobicContact CG2-CE2 3.75Å
239	K	91.9	Very high	85.5	Confident	71 Å²	71	51.3 Å²	51.3	31%	0.309	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.4	177.1	-172.6	-173.7	-179.4	-162.4	0	110.1	I36 K37 M39 I154 E241	I36-K239 WeakPolarHBondContact CA-O 3.48Å; K37-K239 HydrophobicContact CB-CB 4.3Å; K37-K239 PolarHBondContact N-O 3.15Å; K37-K239 PolarHBondContact O-N 3.28Å; M39-K239 HydrophobicContact CG-CB 4.33Å; M39-K239 HydrophobicContact SD-CB 4.33Å; I154-K239 HydrophobicContact CG1-CB 4.23Å; I154-K239 HydrophobicContact CG1-CG 4.02Å; K239-E241 HydrophobicContact CD-CG 4.09Å; K239-E241 WeakPolarHBondContact CD-OE1 3.34Å; K239-E241 WeakPolarHBondContact CE-OE1 3.3Å; K239-E241 HydrophobicContact CG-CG 4.1Å; K239-E241 IonicContact NZ-OE1 3.57Å; K239-E241 PolarHBondContact NZ-OE1 3.2Å
240	F	92	Very high	84.9	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120	172.7	-74.9	-105	0	0	0	109.8	I36 I117 M141 L143 F150 R151 G153 Y155 V238	I36-F240 HydrophobicContact CD1-CD1 4.14Å; I36-F240 HydrophobicContact CD1-CE1 3.49Å; I36-F240 VanDerWaalsContact CD1-CE1 3.49Å; I36-F240 HydrophobicContact CD1-CZ 3.83Å; I36-F240 HydrophobicContact CG1-CD1 3.93Å; I36-F240 HydrophobicContact CG1-CE1 3.8Å; I36-F240 HydrophobicContact CG1-CZ 4.27Å; I117-F240 HydrophobicContact CG2-CZ 4.48Å; M141-F240 HydrophobicContact CE-CE2 3.42Å; M141-F240 VanDerWaalsContact CE-CE2 3.42Å; M141-F240 HydrophobicContact CE-CZ 3.33Å; L143-F240 HydrophobicContact CD2-CE1 3.95Å; F150-F240 AromaticContact CE1-CD1 3.96Å; F150-F240 HydrophobicContact CE1-CD1 3.96Å; F150-F240 HydrophobicContact CZ-CD1 4.29Å; R151-F240 HydrophobicContact CB-CD1 3.95Å; R151-F240 HydrophobicContact CB-CD2 4.42Å; R151-F240 HydrophobicContact CB-CE1 4.24Å; R151-F240 HydrophobicContact CB-CG 4.07Å; R151-F240 VanDerWaalsContact O-CB 3.26Å; R151-F240 WeakPolarHBondContact O-CB 3.26Å; G153-F240 PolarHBondContact N-O 2.89Å; G153-F240 PolarHBondContact O-N 3.21Å; Y155-F240 AromaticContact CD2-CD2 3.69Å; Y155-F240 HydrophobicContact CD2-CD2 3.69Å; Y155-F240 HydrophobicContact CD2-CE2 4.16Å; Y155-F240 HydrophobicContact CE2-CD2 4.11Å; V238-F240 HydrophobicContact CG2-CD2 4.36Å; V238-F240 HydrophobicContact CG2-CE2 3.75Å
241	E	88.5	Confident	84.4	Confident	42 Å²	42	45 Å²	45	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.1	179.5	-62.4	-174.8	152.3	0	0	110.2	C35 K239	C35-E241 HydrophobicContact CB-CB 4.23Å; C35-E241 PolarHBondContact N-O 2.94Å; C35-E241 PolarHBondContact O-N 3.14Å; K239-E241 HydrophobicContact CD-CG 4.09Å; K239-E241 WeakPolarHBondContact CD-OE1 3.34Å; K239-E241 WeakPolarHBondContact CE-OE1 3.3Å; K239-E241 HydrophobicContact CG-CG 4.1Å; K239-E241 IonicContact NZ-OE1 3.57Å; K239-E241 PolarHBondContact NZ-OE1 3.2Å
242	F	87.5	Confident	84.2	Confident	9 Å²	9	44 Å²	44	4%	0.039	24%	0.24	C	C	.	.	S	Bend	trans	-62.1	-50.4	-174.4	174.7	-105.8	0	0	0	111.8	V14 I32 Y108 H246 V249 M251 V253	V14-F242 HydrophobicContact CG1-CE2 4.05Å; V14-F242 HydrophobicContact CG1-CZ 3.8Å; I32-F242 HydrophobicContact CD1-CE1 4.31Å; I32-F242 HydrophobicContact CD1-CZ 4.16Å; I32-F242 HydrophobicContact CG2-CE1 3.78Å; I32-F242 HydrophobicContact CG2-CZ 3.76Å; Y108-F242 HydrophobicContact CD2-CE2 4.36Å; Y108-F242 AromaticContact CE2-CD2 3.95Å; Y108-F242 HydrophobicContact CE2-CD2 3.95Å; Y108-F242 AromaticContact CE2-CE2 3.65Å; Y108-F242 HydrophobicContact CE2-CE2 3.65Å; Y108-F242 HydrophobicContact CE2-CZ 4.22Å; Y108-F242 VanDerWaalsContact CE2-O 3.29Å; Y108-F242 WeakPolarHBondContact CE2-O 3.47Å; Y108-F242 AromaticContact CZ-CD2 3.94Å; Y108-F242 AromaticContact CZ-CE2 3.99Å; Y108-F242 PolarHBondContact OH-O 3.11Å; F242-H246 HydrophobicContact CD1-CB 4.19Å; F242-H246 HydrophobicContact CE1-CB 4.42Å; F242-V249 WeakPolarHBondContact CB-O 3.39Å; F242-V249 HydrophobicContact CD1-CB 3.84Å; F242-V249 HydrophobicContact CD1-CG1 3.68Å; F242-V249 HydrophobicContact CE1-CB 4.36Å; F242-V249 HydrophobicContact CE1-CG1 3.9Å; F242-V249 HydrophobicContact CG-CG1 4.22Å; F242-M251 HydrophobicContact CD2-CB 4.07Å; F242-M251 HydrophobicContact CD2-CE 4.44Å; F242-M251 HydrophobicContact CE1-CE 4.18Å; F242-M251 HydrophobicContact CE2-CB 4Å; F242-M251 HydrophobicContact CE2-CE 3.36Å; F242-M251 HydrophobicContact CZ-CE 3.2Å; F242-V253 HydrophobicContact CD2-CG2 4.36Å; F242-V253 HydrophobicContact CE2-CG2 3.9Å
243	S	86.3	Confident	84.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.222	C	C	.	.			trans	-165.6	147.4	172.9	170.1	0	0	0	0	109.4	Y33 S245 H246	Y33-S243 WeakPolarHBondContact O-CA 3.33Å; Y33-S243 WeakPolarHBondContact O-CB 3Å; Y33-S243 PolarHBondContact O-OG 2.98Å; S243-S245 PolarHBondContact O-N 3.33Å; S243-S245 PolarHBondContact OG-N 2.82Å; S243-S245 VanDerWaalsContact OG-N 3.13Å; S243-S245 PolarHBondContact OG-OG 3.42Å; S243-H246 CarbonylContact O-C 3.52Å; S243-H246 PolarHBondContact O-N 2.6Å; S243-H246 VanDerWaalsContact O-N 3.13Å
244	R	83.2	Confident	84.2	Confident	120 Å²	120	40.4 Å²	40.4	45%	0.453	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.7	172.6	-168.5	-169.1	-49.8	-132.6	-12.2	112.4	C35 A101 D103 H246	C35-R244 HydrophobicContact CB-CB 4.35Å; A101-R244 PolarHBondContact O-NH1 3.33Å; A101-R244 PolarHBondContact O-NH2 2.95Å; D103-R244 WeakPolarHBondContact OD1-CB 3.4Å; D103-R244 IonicContact OD1-CZ 3.8Å; D103-R244 IonicContact OD1-NE 2.73Å; D103-R244 PolarHBondContact OD1-NE 3.16Å; D103-R244 IonicContact OD1-NH2 2.68Å; D103-R244 PolarHBondContact OD1-NH2 2.8Å; D103-R244 IonicContact OD2-NE 3.68Å; D103-R244 PolarHBondContact OD2-NE 3.39Å; R244-H246 PolarHBondContact O-N 3.19Å
245	S	78.9	Confident	84.1	Confident	82 Å²	82	41.6 Å²	41.6	57%	0.573	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.3	176.8	56.6	0	0	0	0	113.1	S243	S243-S245 PolarHBondContact O-N 3.33Å; S243-S245 PolarHBondContact OG-N 2.82Å; S243-S245 VanDerWaalsContact OG-N 3.13Å; S243-S245 PolarHBondContact OG-OG 3.42Å
246	H	77.7	Confident	83.5	Confident	68 Å²	68	46.3 Å²	46.3	32%	0.315	25%	0.245	S	C	.	.			trans	-137.2	61.5	-177.4	-61	82.3	0	0	0	110.8	F242 S243 R244 S248 V249	F242-H246 HydrophobicContact CD1-CB 4.19Å; F242-H246 HydrophobicContact CE1-CB 4.42Å; S243-H246 CarbonylContact O-C 3.52Å; S243-H246 PolarHBondContact O-N 2.6Å; S243-H246 VanDerWaalsContact O-N 3.13Å; R244-H246 PolarHBondContact O-N 3.19Å; H246-S248 PolarHBondContact O-N 2.9Å; H246-V249 HydrophobicContact CB-CB 4.04Å; H246-V249 HydrophobicContact CB-CG2 3.79Å; H246-V249 PolarHBondContact O-N 3.38Å; H246-V249 VanDerWaalsContact O-N 3.08Å
247	P	69.1	Low	82.3	Confident	93 Å²	93	48.4 Å²	48.4	60%	0.604	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.5	-170.8	27	-34.7	0	0	0	113	V249	P247-V249 VanDerWaalsContact C-N 3.35Å
248	S	69.5	Low	80.4	Confident	120 Å²	120	50.9 Å²	50.9	84%	0.839	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.8	179.1	-39.8	0	0	0	0	113.7	H246	H246-S248 PolarHBondContact O-N 2.9Å
249	V	71.2	Confident	78	Confident	60 Å²	60	60.7 Å²	60.7	36%	0.364	31%	0.312	S	S	.	.			trans	-89.1	122	-175.9	175	0	0	0	0	110	F242 H246 P247 M251	F242-V249 WeakPolarHBondContact CB-O 3.39Å; F242-V249 HydrophobicContact CD1-CB 3.84Å; F242-V249 HydrophobicContact CD1-CG1 3.68Å; F242-V249 HydrophobicContact CE1-CB 4.36Å; F242-V249 HydrophobicContact CE1-CG1 3.9Å; F242-V249 HydrophobicContact CG-CG1 4.22Å; H246-V249 HydrophobicContact CB-CB 4.04Å; H246-V249 HydrophobicContact CB-CG2 3.79Å; H246-V249 PolarHBondContact O-N 3.38Å; H246-V249 VanDerWaalsContact O-N 3.08Å; P247-V249 VanDerWaalsContact C-N 3.35Å; V249-M251 HydrophobicContact CG1-CB 4.09Å
250	Y	72.2	Confident	75.6	Confident	69 Å²	69	60.1 Å²	60.1	27%	0.271	31%	0.311	S	S	.	.			trans	-107	101.4	170.8	-163.8	-81.1	0	0	0	109.7	Q152 L203 R204	Q152-Y250 HydrophobicContact CG-CE2 3.73Å; Q152-Y250 PolarHBondContact OE1-OH 2.99Å; Q152-Y250 VanDerWaalsContact OE1-OH 3.13Å; L203-Y250 HydrophobicContact CB-CE2 4.12Å; L203-Y250 WeakPolarHBondContact O-CD2 3.46Å; L203-Y250 WeakPolarHBondContact O-CE1 3.36Å; L203-Y250 WeakPolarHBondContact O-CE2 3.45Å; R204-Y250 VanDerWaalsContact CA-CE1 3.49Å; R204-Y250 WeakPolarHBondContact CA-OH 3.04Å; R204-Y250 HydrophobicContact CB-CE1 4.16Å; R204-Y250 HydrophobicContact CG-CE1 3.91Å; R204-Y250 WeakPolarHBondContact CG-OH 3.38Å
251	M	76.2	Confident	73.1	Confident	32 Å²	32	61.7 Å²	61.7	16%	0.158	32%	0.322	C	S	.	.			trans	-131.9	114.6	-179.6	-168.4	166	59.7	0	0	111.2	Y9 V14 F242 V249 V253	Y9-M251 HydrophobicContact CD1-CG 4.3Å; Y9-M251 HydrophobicContact CD1-SD 3.42Å; Y9-M251 WeakPolarHBondContact CD1-SD 3.49Å; Y9-M251 HydrophobicContact CD2-CG 3.15Å; Y9-M251 HydrophobicContact CD2-SD 3.43Å; Y9-M251 WeakPolarHBondContact CD2-SD 3.39Å; Y9-M251 HydrophobicContact CE1-SD 3.6Å; Y9-M251 HydrophobicContact CE2-CG 3.52Å; Y9-M251 HydrophobicContact CE2-SD 3.61Å; Y9-M251 HydrophobicContact CG-CE 4.4Å; Y9-M251 HydrophobicContact CG-CG 3.58Å; Y9-M251 HydrophobicContact CG-SD 3.31Å; V14-M251 HydrophobicContact CG1-CE 4.09Å; V14-M251 HydrophobicContact CG2-CE 4.38Å; F242-M251 HydrophobicContact CD2-CB 4.07Å; F242-M251 HydrophobicContact CD2-CE 4.44Å; F242-M251 HydrophobicContact CE1-CE 4.18Å; F242-M251 HydrophobicContact CE2-CB 4Å; F242-M251 HydrophobicContact CE2-CE 3.36Å; F242-M251 HydrophobicContact CZ-CE 3.2Å; V249-M251 HydrophobicContact CG1-CB 4.09Å; M251-V253 PolarHBondContact O-N 3.22Å
252	P	83.4	Confident	70.8	Confident	13 Å²	13	66.1 Å²	66.1	8%	0.084	34%	0.343	C	S	.	.			trans	-75.8	108.4	179.1	29.9	-33.1	0	0	0	110.4	L6 Y8 Y9 V149	L6-P252 HydrophobicContact CD2-CG 4.38Å; Y8-P252 WeakPolarHBondContact CA-O 3.35Å; Y8-P252 HydrophobicContact CD1-CB 3.88Å; Y8-P252 HydrophobicContact CD1-CG 4.21Å; Y8-P252 HydrophobicContact CE1-CB 4.11Å; Y9-P252 PolarHBondContact N-O 3.3Å; V149-P252 HydrophobicContact CG1-CB 4.43Å
253	V	87.9	Confident	68.5	Low	2 Å²	2	69.9 Å²	69.9	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.8	-179.5	-176.4	0	0	0	0	110.4	Y9 V14 Y108 V149 F150 F242 M251	Y9-V253 CarbonylContact O-C 3.52Å; Y9-V253 WeakPolarHBondContact O-CA 3.44Å; V14-V253 HydrophobicContact CG2-CG1 3.87Å; V14-V253 HydrophobicContact CG2-CG2 3.92Å; Y108-V253 HydrophobicContact CD1-CB 4Å; Y108-V253 HydrophobicContact CD1-CG1 3.69Å; Y108-V253 HydrophobicContact CD1-CG2 3.93Å; Y108-V253 HydrophobicContact CE1-CB 3.94Å; Y108-V253 HydrophobicContact CE1-CG1 4.17Å; Y108-V253 HydrophobicContact CE1-CG2 3.71Å; Y108-V253 HydrophobicContact CG-CG1 4.33Å; Y108-V253 HydrophobicContact CG-CG2 4.42Å; V149-V253 CarbonylContact C-O 3.59Å; V149-V253 WeakPolarHBondContact CA-O 3.35Å; V149-V253 WeakPolarHBondContact CG1-O 3.37Å; F150-V253 HydrophobicContact CB-CB 4.18Å; F150-V253 PolarHBondContact N-O 2.95Å; F242-V253 HydrophobicContact CD2-CG2 4.36Å; F242-V253 HydrophobicContact CE2-CG2 3.9Å; M251-V253 PolarHBondContact O-N 3.22Å
254	I	88.8	Confident	66.2	Low	43 Å²	43	72.4 Å²	72.4	22%	0.221	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.6	174.2	-167.4	167.9	0	0	0	109.7	Y8 Y9 P10 S11 K148 V149 Q256	Y8-I254 HydrophobicContact CD1-CB 4.45Å; Y8-I254 HydrophobicContact CG-CB 4.38Å; Y9-I254 PolarHBondContact O-N 3.35Å; P10-I254 CarbonylContact C-O 3.56Å; P10-I254 WeakPolarHBondContact CA-O 3.4Å; S11-I254 PolarHBondContact N-O 3.49Å; K148-I254 HydrophobicContact CB-CG1 4.42Å; K148-I254 CarbonylContact O-C 3.52Å; K148-I254 WeakPolarHBondContact O-CA 3.11Å; V149-I254 HydrophobicContact CG2-CG1 4.35Å; I254-Q256 PolarHBondContact O-N 3.37Å; I254-Q256 VanDerWaalsContact O-N 3.16Å
255	F	87.8	Confident	64	Low	37 Å²	37	71.7 Å²	71.7	16%	0.162	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-64.7	118.5	173.4	173	-102.6	0	0	0	109.3	Y112 D113 Y144 K148 R257	Y112-F255 VanDerWaalsContact CA-CE2 3.5Å; Y112-F255 AromaticContact CD1-CE2 3.73Å; Y112-F255 HydrophobicContact CD1-CE2 3.73Å; Y112-F255 AromaticContact CD1-CZ 3.65Å; Y112-F255 HydrophobicContact CD1-CZ 3.65Å; Y112-F255 HydrophobicContact CE1-CE2 4.46Å; Y112-F255 HydrophobicContact CE1-CZ 4.33Å; Y112-F255 HydrophobicContact CG-CE2 4.07Å; Y112-F255 HydrophobicContact CG-CZ 4.38Å; D113-F255 HydrophobicContact CB-CB 4.29Å; D113-F255 HydrophobicContact CB-CD1 3.61Å; D113-F255 HydrophobicContact CB-CD2 4.37Å; D113-F255 HydrophobicContact CB-CE1 3.97Å; D113-F255 HydrophobicContact CB-CG 3.82Å; Y144-F255 HydrophobicContact CD1-CB 3.82Å; Y144-F255 HydrophobicContact CE1-CB 3.64Å; Y144-F255 HydrophobicContact CE2-CB 4.46Å; Y144-F255 HydrophobicContact CG-CB 4.33Å; K148-F255 HydrophobicContact CB-CB 4.2Å; K148-F255 PolarHBondContact O-N 2.97Å; F255-R257 HydrophobicContact CE2-CG 4Å; F255-R257 HydrophobicContact CZ-CG 3.75Å
256	Q	81.5	Confident	62.1	Low	99 Å²	99	72.8 Å²	72.8	46%	0.463	38%	0.379	S	S	.	.			trans	-148.3	139.5	175.7	-179	171.6	-3.7	0	0	107.9	P10 S11 C12 I254	P10-Q256 HydrophobicContact CB-CB 3.95Å; P10-Q256 HydrophobicContact CB-CG 4.34Å; S11-Q256 PolarHBondContact OG-N 2.98Å; S11-Q256 PolarHBondContact OG-O 2.9Å; C12-Q256 PolarHBondContact SG-O 3.46Å; I254-Q256 PolarHBondContact O-N 3.37Å; I254-Q256 VanDerWaalsContact O-N 3.16Å
257	R	68.8	Low	60.4	Low	45 Å²	45	74.5 Å²	74.5	17%	0.17	38%	0.383	C	S	.	.			trans	-115.3	143	170.8	-65	-64.3	-177.1	-136.7	5.1	108	N109 L111 Y112 F255 F259	N109-R257 PolarHBondContact O-NH1 2.93Å; N109-R257 PolarHBondContact O-NH2 3.32Å; L111-R257 VanDerWaalsContact C-NH2 3.34Å; L111-R257 PolarHBondContact O-NH2 2.86Å; Y112-R257 HydrophobicContact CE1-CG 4.36Å; Y112-R257 VanDerWaalsContact CE1-NE 3.31Å; F255-R257 HydrophobicContact CE2-CG 4Å; F255-R257 HydrophobicContact CZ-CG 3.75Å; R257-F259 PolarHBondContact O-N 3.33Å
258	P	52.9	Low	59.1	Low	59 Å²	59	73 Å²	73	38%	0.383	38%	0.378	S	S	.	.			trans	-57.1	139.5	168.4	23.2	-30.2	0	0	0	108.6	L260	P258-L260 VanDerWaalsContact C-N 3.29Å; P258-L260 PolarHBondContact O-N 3.42Å
259	F	42.8	Very low	57.9	Low	207 Å²	207	70 Å²	70	91%	0.908	35%	0.353	S	S	*	.			trans	-55.3	92.5	178.6	-127.4	-91.3	0	0	0	108.8	R257	R257-F259 PolarHBondContact O-N 3.33Å
260	L	41.3	Very low	56.8	Low	58 Å²	58	75.6 Å²	75.6	30%	0.304	37%	0.367	S	S	.	.			trans	-83.5	131.8	165.2	-79.2	160.3	0	0	0	105.5	P258 E262	P258-L260 VanDerWaalsContact C-N 3.29Å; P258-L260 PolarHBondContact O-N 3.42Å; L260-E262 PolarHBondContact O-N 3.31Å
261	P	39	Very low	55.7	Low	37 Å²	37	80.3 Å²	80.3	24%	0.24	38%	0.384	C	S	.	.			trans	-53.6	132.5	167.2	11	-12.2	0	0	0	107.8	Q263 S264 L382	P261-Q263 PolarHBondContact O-N 2.76Å; P261-S264 PolarHBondContact O-N 2.88Å; P261-S264 VanDerWaalsContact O-N 3.09Å; P261-L382 HydrophobicContact CB-CD1 4.19Å; P261-L382 HydrophobicContact CG-CD1 3.13Å
262	E	41.7	Very low	54.9	Low	135 Å²	135	81.5 Å²	81.5	63%	0.631	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.7	-15.4	-170.2	-75	160.7	122.6	0	0	116.9	L260 R379	L260-E262 PolarHBondContact O-N 3.31Å; E262-R379 IonicContact OE2-NH2 2.92Å
263	Q	39.1	Very low	53.8	Low	88 Å²	88	84.5 Å²	84.5	41%	0.411	41%	0.411	S	S	.	.	H	α-helix	trans	-70.8	-25.9	175.9	-67.3	-171.9	-21.7	0	0	114.8	P261 N315	P261-Q263 PolarHBondContact O-N 2.76Å; Q263-N315 PolarHBondContact NE2-OD1 3.38Å
264	S	37	Very low	52.7	Low	54 Å²	54	89.1 Å²	89.1	38%	0.378	44%	0.439	S	S	.	.	H	α-helix	trans	-78.5	-28.1	178.7	-168.5	0	0	0	0	113.1	P261	P261-S264 PolarHBondContact O-N 2.88Å; P261-S264 VanDerWaalsContact O-N 3.09Å
265	E	36.8	Very low	51.5	Low	105 Å²	105	90 Å²	90	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-72.9	-36.6	177.2	-68.8	-172.3	157.3	0	0	110.8	R267 A268 D269	E265-R267 PolarHBondContact O-N 3.3Å; E265-A268 PolarHBondContact O-N 3.35Å; E265-D269 PolarHBondContact O-N 3.47Å
266	L	40.5	Very low	50.5	Low	104 Å²	104	89.7 Å²	89.7	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-25.2	175.1	-76.2	162.5	0	0	0	114.7
267	R	41.7	Very low	50	Low	105 Å²	105	91.4 Å²	91.4	40%	0.396	45%	0.449	S	S	.	.	H	α-helix	trans	-86.2	-33	178.1	-93.4	-172.5	178.1	166.7	5.4	113.3	E265 D269 R270 W271 E350	E265-R267 PolarHBondContact O-N 3.3Å; R267-D269 PolarHBondContact O-N 3.25Å; R267-R270 CarbonylContact O-C 3.58Å; R267-R270 PolarHBondContact O-N 2.96Å; R267-R270 VanDerWaalsContact O-N 3.15Å; R267-W271 PolarHBondContact O-N 2.81Å; R267-E350 IonicContact NH1-OE1 3.09Å
268	A	40.4	Very low	50.1	Low	61 Å²	61	94.9 Å²	94.9	50%	0.504	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-33.4	174.7	0	0	0	0	0	111.1	E265 R270 W271	E265-A268 PolarHBondContact O-N 3.35Å; A268-R270 PolarHBondContact O-N 2.92Å; A268-W271 PolarHBondContact O-N 3.22Å
269	D	44.5	Very low	50.9	Low	58 Å²	58	92.2 Å²	92.2	31%	0.31	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.8	176.8	-65.3	-23.1	0	0	0	114.3	F77 E265 R267	F77-D269 HydrophobicContact CE2-CB 4.01Å; F77-D269 WeakPolarHBondContact CE2-OD1 3.49Å; F77-D269 WeakPolarHBondContact CE2-OD2 3.39Å; F77-D269 WeakPolarHBondContact CZ-OD1 3.09Å; F77-D269 WeakPolarHBondContact CZ-OD2 3.48Å; E265-D269 PolarHBondContact O-N 3.47Å; R267-D269 PolarHBondContact O-N 3.25Å
270	R	48	Very low	52.2	Low	176 Å²	176	87.9 Å²	87.9	66%	0.664	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	18.6	174.1	-68.3	-173.1	-179.3	-167.3	0.8	112.8	R267 A268 N272	R267-R270 CarbonylContact O-C 3.58Å; R267-R270 PolarHBondContact O-N 2.96Å; R267-R270 VanDerWaalsContact O-N 3.15Å; A268-R270 PolarHBondContact O-N 2.92Å; R270-N272 VanDerWaalsContact C-N 3.35Å; R270-N272 PolarHBondContact O-N 2.89Å
271	W	49.8	Very low	53.6	Low	168 Å²	168	90.5 Å²	90.5	64%	0.636	44%	0.438	S	S	*	.			trans	-67.1	97.6	178.4	-171.3	76.7	0	0	0	110.5	R267 A268 P273 E276	R267-W271 PolarHBondContact O-N 2.81Å; A268-W271 PolarHBondContact O-N 3.22Å; W271-P273 HydrophobicContact CE3-CG 4.24Å; W271-P273 HydrophobicContact CH2-CB 4.36Å; W271-P273 HydrophobicContact CH2-CG 3.78Å; W271-P273 HydrophobicContact CZ2-CG 4.45Å; W271-P273 HydrophobicContact CZ3-CG 3.66Å; W271-E276 PolarHBondContact NE1-OE2 3.48Å
272	N	58.4	Low	55	Low	58 Å²	58	91.4 Å²	91.4	31%	0.31	44%	0.443	S	S	.	.			trans	-107.9	117.6	174.5	177.1	2.4	0	0	0	108.1	R270 V274 D275 E276	R270-N272 VanDerWaalsContact C-N 3.35Å; R270-N272 PolarHBondContact O-N 2.89Å; N272-V274 PolarHBondContact O-N 2.95Å; N272-V274 VanDerWaalsContact O-N 3.12Å; N272-V274 VanDerWaalsContact OD1-CB 3.28Å; N272-V274 WeakPolarHBondContact OD1-CB 3.2Å; N272-V274 PolarHBondContact OD1-N 3.41Å; N272-D275 HydrophobicContact CB-CB 3.95Å; N272-D275 WeakPolarHBondContact CB-OD2 3.32Å; N272-D275 PolarHBondContact ND2-OD1 3.22Å; N272-D275 PolarHBondContact ND2-OD2 2.91Å; N272-D275 PolarHBondContact O-N 3.09Å; N272-E276 PolarHBondContact O-N 3.4Å
273	P	61.6	Low	56.5	Low	76 Å²	76	85.6 Å²	85.6	49%	0.494	42%	0.416	S	S	.	.	H	α-helix	trans	-55.1	-30.9	176.6	-21	28	0	0	0	112.9	W271 K277	W271-P273 HydrophobicContact CE3-CG 4.24Å; W271-P273 HydrophobicContact CH2-CB 4.36Å; W271-P273 HydrophobicContact CH2-CG 3.78Å; W271-P273 HydrophobicContact CZ2-CG 4.45Å; W271-P273 HydrophobicContact CZ3-CG 3.66Å; P273-K277 WeakPolarHBondContact O-CB 3.34Å; P273-K277 PolarHBondContact O-N 3.44Å
274	V	63.6	Low	57.8	Low	98 Å²	98	85 Å²	85	59%	0.594	42%	0.415	S	S	*	.	H	α-helix	trans	-67.9	-46.1	176.3	-178.6	0	0	0	0	110.3	N272 K277 Y278	N272-V274 PolarHBondContact O-N 2.95Å; N272-V274 VanDerWaalsContact O-N 3.12Å; N272-V274 VanDerWaalsContact OD1-CB 3.28Å; N272-V274 WeakPolarHBondContact OD1-CB 3.2Å; N272-V274 PolarHBondContact OD1-N 3.41Å; V274-K277 PolarHBondContact O-N 3.11Å; V274-Y278 VanDerWaalsContact O-CB 3.24Å; V274-Y278 WeakPolarHBondContact O-CB 3.44Å; V274-Y278 PolarHBondContact O-N 3.36Å
275	D	64.4	Low	59.1	Low	61 Å²	61	84.6 Å²	84.6	33%	0.326	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-37.8	178.7	-61.8	-24.6	0	0	0	110.6	N272 Y278 F279	N272-D275 HydrophobicContact CB-CB 3.95Å; N272-D275 WeakPolarHBondContact CB-OD2 3.32Å; N272-D275 PolarHBondContact ND2-OD1 3.22Å; N272-D275 PolarHBondContact ND2-OD2 2.91Å; N272-D275 PolarHBondContact O-N 3.09Å; D275-Y278 PolarHBondContact O-N 2.97Å; D275-F279 WeakPolarHBondContact O-CB 3.46Å; D275-F279 PolarHBondContact O-N 3.36Å
276	E	67.5	Low	60.5	Low	31 Å²	31	89.9 Å²	89.9	15%	0.145	43%	0.431	C	S	.	.	H	α-helix	trans	-67.8	-39.4	174.2	-176.5	160.9	-173.5	0	0	112.7	W271 N272 F279 K280 Y351	W271-E276 PolarHBondContact NE1-OE2 3.48Å; N272-E276 PolarHBondContact O-N 3.4Å; E276-F279 PolarHBondContact O-N 3.47Å; E276-K280 HydrophobicContact CG-CD 4.2Å; E276-K280 WeakPolarHBondContact O-CB 3.34Å; E276-K280 WeakPolarHBondContact O-CG 3.47Å; E276-K280 PolarHBondContact O-N 3.11Å; E276-K280 WeakPolarHBondContact OE1-CE 3.39Å; E276-K280 IonicContact OE1-NZ 3.89Å; E276-K280 PolarHBondContact OE1-NZ 3.1Å; E276-Y351 WeakPolarHBondContact CG-OH 3.46Å; E276-Y351 PolarHBondContact OE1-OH 3.39Å
277	K	70.9	Confident	61.9	Low	136 Å²	136	86.5 Å²	86.5	59%	0.591	41%	0.414	S	S	*	.	H	α-helix	trans	-65.6	-46.9	173.9	-171.2	-173.4	175.7	179.6	0	110.8	P273 V274 F279 K280 M281	P273-K277 WeakPolarHBondContact O-CB 3.34Å; P273-K277 PolarHBondContact O-N 3.44Å; V274-K277 PolarHBondContact O-N 3.11Å; K277-F279 VanDerWaalsContact C-N 3.26Å; K277-F279 PolarHBondContact O-N 2.83Å; K277-K280 PolarHBondContact O-N 2.86Å; K277-M281 HydrophobicContact CD-CE 4.32Å; K277-M281 HydrophobicContact CG-CE 3.92Å; K277-M281 HydrophobicContact CG-SD 4.27Å; K277-M281 WeakPolarHBondContact O-CB 3.27Å; K277-M281 VanDerWaalsContact O-CG 3.3Å; K277-M281 WeakPolarHBondContact O-CG 3.38Å; K277-M281 PolarHBondContact O-N 2.99Å
278	Y	70	Confident	63.3	Low	118 Å²	118	82.2 Å²	82.2	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-55.6	-45.2	175	175.2	-97	0	0	0	110.8	V274 D275 M281 T282	V274-Y278 VanDerWaalsContact O-CB 3.24Å; V274-Y278 WeakPolarHBondContact O-CB 3.44Å; V274-Y278 PolarHBondContact O-N 3.36Å; D275-Y278 PolarHBondContact O-N 2.97Å; Y278-M281 PolarHBondContact O-N 3.2Å; Y278-T282 VanDerWaalsContact O-CB 3.28Å; Y278-T282 WeakPolarHBondContact O-CB 3.35Å; Y278-T282 PolarHBondContact O-N 2.92Å; Y278-T282 PolarHBondContact O-OG1 3.44Å
279	F	69.5	Low	64.9	Low	3 Å²	3	84.8 Å²	84.8	1%	0.013	41%	0.406	C	S	.	.	H	α-helix	trans	-63.1	-48.9	178.8	-173.7	-96.8	0	0	0	112.4	D275 E276 K277 M281 T282 R283 R348 Y351 Q354	D275-F279 WeakPolarHBondContact O-CB 3.46Å; D275-F279 PolarHBondContact O-N 3.36Å; E276-F279 PolarHBondContact O-N 3.47Å; K277-F279 VanDerWaalsContact C-N 3.26Å; K277-F279 PolarHBondContact O-N 2.83Å; F279-M281 VanDerWaalsContact C-N 3.3Å; F279-M281 PolarHBondContact O-N 3.27Å; F279-T282 PolarHBondContact O-N 3.1Å; F279-R283 VanDerWaalsContact CE2-NE 3.28Å; F279-R283 WeakPolarHBondContact O-CB 3.45Å; F279-R283 PolarHBondContact O-N 3.45Å; F279-R348 VanDerWaalsContact CD2-CZ 3.45Å; F279-R348 HydrophobicContact CE1-CB 3.92Å; F279-R348 HydrophobicContact CE1-CG 3.96Å; F279-R348 HydrophobicContact CE2-CB 4.44Å; F279-R348 VanDerWaalsContact CE2-CD 3.46Å; F279-R348 HydrophobicContact CE2-CG 3.71Å; F279-R348 HydrophobicContact CZ-CB 3.49Å; F279-R348 VanDerWaalsContact CZ-CB 3.49Å; F279-R348 HydrophobicContact CZ-CG 3.22Å; F279-Y351 HydrophobicContact CD1-CD2 4.4Å; F279-Y351 AromaticContact CD1-CE2 3.98Å; F279-Y351 HydrophobicContact CD1-CE2 3.98Å; F279-Y351 AromaticContact CE1-CD2 3.64Å; F279-Y351 HydrophobicContact CE1-CD2 3.64Å; F279-Y351 AromaticContact CE1-CE2 3.57Å; F279-Y351 HydrophobicContact CE1-CE2 3.57Å; F279-Q354 VanDerWaalsContact CZ-CD 3.48Å; F279-Q354 VanDerWaalsContact CZ-OE1 3.26Å
280	K	71.6	Confident	66.6	Low	115 Å²	115	86 Å²	86	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-62.7	-34.7	176.1	-75.3	176.7	-177.5	165.7	0	112.6	E276 K277	E276-K280 HydrophobicContact CG-CD 4.2Å; E276-K280 WeakPolarHBondContact O-CB 3.34Å; E276-K280 WeakPolarHBondContact O-CG 3.47Å; E276-K280 PolarHBondContact O-N 3.11Å; E276-K280 WeakPolarHBondContact OE1-CE 3.39Å; E276-K280 IonicContact OE1-NZ 3.89Å; E276-K280 PolarHBondContact OE1-NZ 3.1Å; K277-K280 PolarHBondContact O-N 2.86Å
281	M	70.2	Confident	68.2	Low	113 Å²	113	77.8 Å²	77.8	56%	0.557	39%	0.385	S	S	*	.	H	α-helix	trans	-74.4	-44.4	177.2	-72.4	-173.3	-55.7	0	0	112.5	K277 Y278 F279	K277-M281 HydrophobicContact CD-CE 4.32Å; K277-M281 HydrophobicContact CG-CE 3.92Å; K277-M281 HydrophobicContact CG-SD 4.27Å; K277-M281 WeakPolarHBondContact O-CB 3.27Å; K277-M281 VanDerWaalsContact O-CG 3.3Å; K277-M281 WeakPolarHBondContact O-CG 3.38Å; K277-M281 PolarHBondContact O-N 2.99Å; Y278-M281 PolarHBondContact O-N 3.2Å; F279-M281 VanDerWaalsContact C-N 3.3Å; F279-M281 PolarHBondContact O-N 3.27Å
282	T	67.3	Low	69.8	Low	57 Å²	57	75.1 Å²	75.1	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-76.5	-28.3	-173.2	-54.8	0	0	0	0	112.7	Y278 F279	Y278-T282 VanDerWaalsContact O-CB 3.28Å; Y278-T282 WeakPolarHBondContact O-CB 3.35Å; Y278-T282 PolarHBondContact O-N 2.92Å; Y278-T282 PolarHBondContact O-OG1 3.44Å; F279-T282 PolarHBondContact O-N 3.1Å
283	R	73.6	Confident	71	Confident	13 Å²	13	76.3 Å²	76.3	5%	0.049	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	24.6	-176.4	-55.4	-172.3	174.8	-161.9	0.1	113.4	F279 G321 D322 W325 S346	F279-R283 VanDerWaalsContact CE2-NE 3.28Å; F279-R283 WeakPolarHBondContact O-CB 3.45Å; F279-R283 PolarHBondContact O-N 3.45Å; R283-G321 PolarHBondContact NH2-O 3.46Å; R283-D322 IonicContact CZ-OD1 2.78Å; R283-D322 IonicContact NE-OD1 3.44Å; R283-D322 PolarHBondContact NE-OD1 3.12Å; R283-D322 IonicContact NH2-OD1 3.2Å; R283-D322 PolarHBondContact NH2-OD1 3.05Å; R283-W325 VanDerWaalsContact CG-CD1 3.49Å; R283-W325 HydrophobicContact CG-CG 4.22Å; R283-S346 PolarHBondContact NH1-O 2.91Å; R283-S346 PolarHBondContact NH2-O 2.87Å
284	N	67.5	Low	72.2	Confident	74 Å²	74	76.5 Å²	76.5	40%	0.396	38%	0.384	S	S	.	.			trans	-61.6	143	178.2	-170.1	-33.3	0	0	0	110.5	R286 T287	N284-R286 PolarHBondContact O-N 3.38Å; N284-R286 PolarHBondContact OD1-N 3.42Å; N284-T287 PolarHBondContact O-N 2.89Å; N284-T287 PolarHBondContact O-OG1 3.47Å
285	A	62.6	Low	73.5	Confident	46 Å²	46	79.8 Å²	79.8	38%	0.38	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-50.2	-30.8	177.9	0	0	0	0	0	113.7	T287 A288	A285-T287 PolarHBondContact O-N 3.06Å; A285-A288 WeakPolarHBondContact O-CB 3.41Å; A285-A288 PolarHBondContact O-N 3.21Å
286	R	67.1	Low	74.7	Confident	217 Å²	217	77.9 Å²	77.9	82%	0.819	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-63.8	-17.1	176	-63.9	-176	-178.6	178.4	0.3	114.5	N284	N284-R286 PolarHBondContact O-N 3.38Å; N284-R286 PolarHBondContact OD1-N 3.42Å
287	T	70.2	Confident	75.9	Confident	33 Å²	33	80.4 Å²	80.4	20%	0.202	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-83.2	-12.8	178.3	72.7	0	0	0	0	112.9	N284 A285 D289 V290 D291	N284-T287 PolarHBondContact O-N 2.89Å; N284-T287 PolarHBondContact O-OG1 3.47Å; A285-T287 PolarHBondContact O-N 3.06Å; T287-D289 PolarHBondContact O-N 2.96Å; T287-V290 WeakPolarHBondContact O-CB 3.39Å; T287-V290 PolarHBondContact O-N 3.36Å; T287-V290 VanDerWaalsContact O-N 3.1Å; T287-D291 WeakPolarHBondContact O-CB 3.49Å; T287-D291 PolarHBondContact O-N 2.78Å; T287-D291 PolarHBondContact OG1-OD2 3.16Å; T287-D291 VanDerWaalsContact OG1-OD2 3.05Å
288	A	71.7	Confident	76.9	Confident	15 Å²	15	81.3 Å²	81.3	12%	0.124	40%	0.399	C	S	.	.	H	α-helix	trans	-58	-43.7	-172.4	0	0	0	0	0	113.2	A285 V290 D291 R292	A285-A288 WeakPolarHBondContact O-CB 3.41Å; A285-A288 PolarHBondContact O-N 3.21Å; A288-V290 VanDerWaalsContact C-N 3.34Å; A288-V290 PolarHBondContact O-N 2.94Å; A288-D291 PolarHBondContact O-N 2.99Å; A288-R292 WeakPolarHBondContact O-CG 3.45Å; A288-R292 PolarHBondContact O-N 3.01Å
289	D	73.9	Confident	77.9	Confident	114 Å²	114	81.3 Å²	81.3	61%	0.61	41%	0.407	S	S	*	.	H	α-helix	trans	-67.7	-35.4	178.6	-66.2	-36.1	0	0	0	112.5	T287 R292	T287-D289 PolarHBondContact O-N 2.96Å; D289-R292 IonicContact OD1-NH1 3.78Å; D289-R292 PolarHBondContact OD1-NH1 3.3Å
290	V	78.5	Confident	78.9	Confident	85 Å²	85	83.1 Å²	83.1	52%	0.515	42%	0.417	S	S	.	.	H	α-helix	trans	-69.1	-40	175	-179.1	0	0	0	0	110.7	T287 A288 R292 A293 R294	T287-V290 WeakPolarHBondContact O-CB 3.39Å; T287-V290 PolarHBondContact O-N 3.36Å; T287-V290 VanDerWaalsContact O-N 3.1Å; A288-V290 VanDerWaalsContact C-N 3.34Å; A288-V290 PolarHBondContact O-N 2.94Å; V290-R292 VanDerWaalsContact C-N 3.35Å; V290-A293 PolarHBondContact O-N 3.31Å; V290-R294 PolarHBondContact O-N 3.24Å
291	D	81.8	Confident	79.9	Confident	3 Å²	3	79.2 Å²	79.2	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-67.5	-33.8	-179.3	-68.2	-27.2	0	0	0	111.9	T287 A288 A293 R294 R328 F329	T287-D291 WeakPolarHBondContact O-CB 3.49Å; T287-D291 PolarHBondContact O-N 2.78Å; T287-D291 PolarHBondContact OG1-OD2 3.16Å; T287-D291 VanDerWaalsContact OG1-OD2 3.05Å; A288-D291 PolarHBondContact O-N 2.99Å; D291-A293 VanDerWaalsContact C-N 3.29Å; D291-A293 PolarHBondContact O-N 2.94Å; D291-R294 WeakPolarHBondContact O-CB 3.43Å; D291-R294 PolarHBondContact O-N 2.9Å; D291-R294 IonicContact OD1-CZ 3.83Å; D291-R294 IonicContact OD1-NH1 3.83Å; D291-R294 PolarHBondContact OD1-NH1 3.19Å; D291-R328 IonicContact OD2-CZ 3.69Å; D291-R328 IonicContact OD2-NH1 3.54Å; D291-R328 PolarHBondContact OD2-NH1 3.41Å; D291-R328 IonicContact OD2-NH2 2.97Å; D291-R328 PolarHBondContact OD2-NH2 2.87Å; D291-R328 VanDerWaalsContact OD2-NH2 3.15Å; D291-F329 HydrophobicContact CB-CD2 4.05Å; D291-F329 HydrophobicContact CB-CE2 4.01Å
292	R	83.8	Confident	80.9	Confident	111 Å²	111	77.2 Å²	77.2	42%	0.419	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-37.1	176.4	-78	176.4	179.3	148.1	-5.4	113.1	A288 D289 V290 F329 E360	A288-R292 WeakPolarHBondContact O-CG 3.45Å; A288-R292 PolarHBondContact O-N 3.01Å; D289-R292 IonicContact OD1-NH1 3.78Å; D289-R292 PolarHBondContact OD1-NH1 3.3Å; V290-R292 VanDerWaalsContact C-N 3.35Å; R292-F329 HydrophobicContact CB-CD2 4.25Å; R292-F329 HydrophobicContact CB-CE2 4.49Å; R292-F329 HydrophobicContact CB-CG 4.44Å; R292-F329 HydrophobicContact CG-CD1 3.89Å; R292-F329 HydrophobicContact CG-CD2 3.7Å; R292-F329 HydrophobicContact CG-CE1 3.79Å; R292-F329 HydrophobicContact CG-CE2 3.59Å; R292-F329 HydrophobicContact CG-CG 3.85Å; R292-F329 HydrophobicContact CG-CZ 3.64Å; R292-E360 IonicContact NH2-OE1 3.44Å; R292-E360 PolarHBondContact NH2-OE1 3.02Å
293	A	84	Confident	82.1	Confident	83 Å²	83	79.9 Å²	79.9	69%	0.686	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.7	-179.5	0	0	0	0	0	113.8	V290 D291	V290-A293 PolarHBondContact O-N 3.31Å; D291-A293 VanDerWaalsContact C-N 3.29Å; D291-A293 PolarHBondContact O-N 2.94Å
294	R	87.4	Confident	83	Confident	80 Å²	80	79.3 Å²	79.3	30%	0.302	39%	0.394	S	S	.	.			trans	-80.1	130	-169.3	-177.3	173.8	-85.2	165	-6.8	111.6	V290 D291 K326 Y327	V290-R294 PolarHBondContact O-N 3.24Å; D291-R294 WeakPolarHBondContact O-CB 3.43Å; D291-R294 PolarHBondContact O-N 2.9Å; D291-R294 IonicContact OD1-CZ 3.83Å; D291-R294 IonicContact OD1-NH1 3.83Å; D291-R294 PolarHBondContact OD1-NH1 3.19Å; R294-K326 VanDerWaalsContact CZ-CE 3.47Å; R294-K326 VanDerWaalsContact NH1-CE 3.35Å; R294-K326 VanDerWaalsContact NH1-CG 3.31Å; R294-Y327 HydrophobicContact CG-CD1 3.91Å; R294-Y327 HydrophobicContact CG-CE1 3.49Å; R294-Y327 VanDerWaalsContact CG-CE1 3.49Å
295	K	89.3	Confident	84	Confident	168 Å²	168	79.9 Å²	79.9	73%	0.73	39%	0.393	S	S	*	.			trans	-119	139.2	175.7	-63.8	-178.8	-178.2	178.1	0	110.8	Y327 Y330	K295-Y327 VanDerWaalsContact C-CE1 3.5Å; K295-Y330 HydrophobicContact CG-CD2 4.3Å
296	P	90.9	Very high	85.2	Confident	20 Å²	20	83 Å²	83	13%	0.13	40%	0.403	C	S	.	.			trans	-72.4	147.8	177.9	30.1	-33.6	0	0	0	110.7	I300 L301 L304 Y327 Y330	P296-I300 HydrophobicContact CB-CB 4Å; P296-I300 HydrophobicContact CB-CG2 3.67Å; P296-L301 HydrophobicContact CB-CB 4.24Å; P296-L301 HydrophobicContact CG-CB 4.15Å; P296-L301 HydrophobicContact CG-CD1 4.06Å; P296-L304 HydrophobicContact CB-CD1 4.14Å; P296-L304 HydrophobicContact CG-CD1 4.35Å; P296-Y327 VanDerWaalsContact CA-CE1 3.47Å; P296-Y327 HydrophobicContact CB-CD1 4.05Å; P296-Y327 HydrophobicContact CB-CE1 3.82Å; P296-Y327 HydrophobicContact CG-CD1 4.36Å; P296-Y330 HydrophobicContact CG-CD1 3.82Å; P296-Y330 HydrophobicContact CG-CE1 3.49Å; P296-Y330 VanDerWaalsContact CG-CE1 3.49Å; P296-Y330 HydrophobicContact CG-CE2 4.4Å; P296-Y330 HydrophobicContact CG-CG 4.41Å
297	N	92	Very high	86.1	Confident	85 Å²	85	72.9 Å²	72.9	46%	0.455	37%	0.365	S	S	.	.			trans	-76.1	175.7	164.2	68.8	4.4	0	0	0	109.5	D299 I300 L301	N297-D299 PolarHBondContact O-N 3.4Å; N297-I300 PolarHBondContact O-N 2.84Å; N297-I300 WeakPolarHBondContact OD1-CB 3.44Å; N297-I300 WeakPolarHBondContact OD1-CD1 3.22Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.39Å; N297-I300 PolarHBondContact OD1-N 3.23Å; N297-L301 VanDerWaalsContact O-CB 3.3Å; N297-L301 WeakPolarHBondContact O-CB 3.38Å; N297-L301 PolarHBondContact O-N 3.48Å
298	K	91.2	Very high	86.9	Confident	155 Å²	155	71.6 Å²	71.6	67%	0.674	36%	0.357	S	S	*	.	H	α-helix	trans	-56.6	-48	-176.6	-173.1	176.8	177.3	-179.3	0	112.6	I300 L301 D302	K298-I300 PolarHBondContact O-N 2.94Å; K298-L301 WeakPolarHBondContact O-CB 3.43Å; K298-L301 PolarHBondContact O-N 3.09Å; K298-D302 VanDerWaalsContact O-CG 3.27Å; K298-D302 PolarHBondContact O-N 3.21Å
299	D	92.1	Very high	87.4	Confident	118 Å²	118	75.5 Å²	75.5	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-41.2	-177.1	-52.4	-39.7	0	0	0	112.5	N297 L301 D302 R303	N297-D299 PolarHBondContact O-N 3.4Å; D299-L301 VanDerWaalsContact C-N 3.35Å; D299-D302 PolarHBondContact O-N 2.68Å; D299-R303 PolarHBondContact O-N 3.39Å
300	I	91	Very high	87.6	Confident	41 Å²	41	72.4 Å²	72.4	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-67.4	-39.8	175.6	-66.9	168.6	0	0	0	110.2	P296 N297 K298 D302 R303 L304 L323 Y327	P296-I300 HydrophobicContact CB-CB 4Å; P296-I300 HydrophobicContact CB-CG2 3.67Å; N297-I300 PolarHBondContact O-N 2.84Å; N297-I300 WeakPolarHBondContact OD1-CB 3.44Å; N297-I300 WeakPolarHBondContact OD1-CD1 3.22Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.39Å; N297-I300 PolarHBondContact OD1-N 3.23Å; K298-I300 PolarHBondContact O-N 2.94Å; I300-D302 VanDerWaalsContact C-N 3.35Å; I300-R303 PolarHBondContact O-N 3.17Å; I300-L304 HydrophobicContact CG2-CD1 3.91Å; I300-L304 HydrophobicContact CG2-CG 4.23Å; I300-L304 WeakPolarHBondContact O-CB 3.14Å; I300-L304 VanDerWaalsContact O-CG 3.26Å; I300-L304 WeakPolarHBondContact O-CG 3.5Å; I300-L304 PolarHBondContact O-N 3.04Å; I300-L323 HydrophobicContact CG2-CD2 4.34Å; I300-Y327 HydrophobicContact CD1-CE2 4.48Å; I300-Y327 WeakPolarHBondContact CD1-OH 3.45Å; I300-Y327 HydrophobicContact CG2-CD2 4.09Å; I300-Y327 HydrophobicContact CG2-CE2 3.53Å
301	L	91.9	Very high	87.1	Confident	33 Å²	33	68.4 Å²	68.4	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-42.1	177.4	-178.4	62.5	0	0	0	111.2	P296 N297 K298 D299 L304 K305 Y330 F335	P296-L301 HydrophobicContact CB-CB 4.24Å; P296-L301 HydrophobicContact CG-CB 4.15Å; P296-L301 HydrophobicContact CG-CD1 4.06Å; N297-L301 VanDerWaalsContact O-CB 3.3Å; N297-L301 WeakPolarHBondContact O-CB 3.38Å; N297-L301 PolarHBondContact O-N 3.48Å; K298-L301 WeakPolarHBondContact O-CB 3.43Å; K298-L301 PolarHBondContact O-N 3.09Å; D299-L301 VanDerWaalsContact C-N 3.35Å; L301-L304 PolarHBondContact O-N 3.06Å; L301-K305 WeakPolarHBondContact O-CG 3.47Å; L301-K305 PolarHBondContact O-N 3.36Å; L301-Y330 HydrophobicContact CD1-CE1 3.95Å; L301-F335 HydrophobicContact CD1-CE2 4.07Å; L301-F335 HydrophobicContact CD1-CZ 4.44Å
302	D	90.9	Very high	86.5	Confident	71 Å²	71	68.6 Å²	68.6	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-40.7	176.8	-68.6	-19.5	0	0	0	110.7	K298 D299 I300 K305 L306	K298-D302 VanDerWaalsContact O-CG 3.27Å; K298-D302 PolarHBondContact O-N 3.21Å; D299-D302 PolarHBondContact O-N 2.68Å; I300-D302 VanDerWaalsContact C-N 3.35Å; D302-K305 PolarHBondContact O-N 3.5Å; D302-L306 WeakPolarHBondContact O-CG 3.37Å; D302-L306 PolarHBondContact O-N 3.15Å; D302-L306 VanDerWaalsContact O-N 3.15Å
303	R	91.9	Very high	85.6	Confident	112 Å²	112	65.7 Å²	65.7	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-44.9	171.8	-178.9	59.6	180	-173.8	3.6	112.3	D299 I300 K305 L306 V307 D320 L323	D299-R303 PolarHBondContact O-N 3.39Å; I300-R303 PolarHBondContact O-N 3.17Å; R303-K305 VanDerWaalsContact C-N 3.35Å; R303-K305 PolarHBondContact O-N 2.89Å; R303-L306 PolarHBondContact O-N 2.7Å; R303-V307 WeakPolarHBondContact O-CG2 3.43Å; R303-V307 PolarHBondContact O-N 3.21Å; R303-V307 VanDerWaalsContact O-N 3.09Å; R303-D320 IonicContact CZ-OD1 3.3Å; R303-D320 VanDerWaalsContact CZ-OD1 3.28Å; R303-D320 IonicContact CZ-OD2 3.81Å; R303-D320 IonicContact NE-OD1 3.86Å; R303-D320 PolarHBondContact NE-OD1 3.28Å; R303-D320 VanDerWaalsContact NH2-CG 3.26Å; R303-D320 IonicContact NH2-OD1 3.53Å; R303-D320 PolarHBondContact NH2-OD1 3.26Å; R303-D320 IonicContact NH2-OD2 3.15Å; R303-D320 PolarHBondContact NH2-OD2 3.2Å; R303-L323 HydrophobicContact CG-CD1 4Å
304	L	92.4	Very high	84.9	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-44.9	178.2	-77	170.5	0	0	0	110.8	P296 I300 L301 L306 V307 L308 L323 I324 Y327 L331	P296-L304 HydrophobicContact CB-CD1 4.14Å; P296-L304 HydrophobicContact CG-CD1 4.35Å; I300-L304 HydrophobicContact CG2-CD1 3.91Å; I300-L304 HydrophobicContact CG2-CG 4.23Å; I300-L304 WeakPolarHBondContact O-CB 3.14Å; I300-L304 VanDerWaalsContact O-CG 3.26Å; I300-L304 WeakPolarHBondContact O-CG 3.5Å; I300-L304 PolarHBondContact O-N 3.04Å; L301-L304 PolarHBondContact O-N 3.06Å; L304-L306 PolarHBondContact O-N 3.15Å; L304-V307 CarbonylContact O-C 3.54Å; L304-V307 WeakPolarHBondContact O-CA 3.39Å; L304-V307 WeakPolarHBondContact O-CB 3.47Å; L304-V307 PolarHBondContact O-N 3.02Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.47Å; L304-L308 PolarHBondContact O-N 2.79Å; L304-L323 HydrophobicContact CD2-CB 4.02Å; L304-I324 HydrophobicContact CD2-CG1 4.38Å; L304-Y327 HydrophobicContact CD1-CD2 4.02Å; L304-Y327 HydrophobicContact CD1-CG 4.1Å; L304-L331 HydrophobicContact CD1-CD2 4.24Å; L304-L331 HydrophobicContact CD2-CD1 4.17Å
305	K	89.8	Confident	84	Confident	86 Å²	86	67.2 Å²	67.2	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-57.3	-46.5	176.1	-74.9	175.4	177.5	179.9	0	112.1	L301 D302 R303 V307 L308 D309	L301-K305 WeakPolarHBondContact O-CG 3.47Å; L301-K305 PolarHBondContact O-N 3.36Å; D302-K305 PolarHBondContact O-N 3.5Å; R303-K305 VanDerWaalsContact C-N 3.35Å; R303-K305 PolarHBondContact O-N 2.89Å; K305-V307 PolarHBondContact O-N 3.29Å; K305-L308 PolarHBondContact O-N 2.91Å; K305-L308 VanDerWaalsContact O-N 3.13Å; K305-D309 WeakPolarHBondContact O-CB 3.41Å; K305-D309 VanDerWaalsContact O-CG 3.26Å; K305-D309 PolarHBondContact O-N 2.95Å
306	L	86.9	Confident	83.6	Confident	111 Å²	111	60.7 Å²	60.7	58%	0.581	32%	0.316	S	S	*	.	H	α-helix	trans	-57.9	-36.2	174.9	-69.9	170.9	0	0	0	112.8	D302 R303 L304	D302-L306 WeakPolarHBondContact O-CG 3.37Å; D302-L306 PolarHBondContact O-N 3.15Å; D302-L306 VanDerWaalsContact O-N 3.15Å; R303-L306 PolarHBondContact O-N 2.7Å; L304-L306 PolarHBondContact O-N 3.15Å
307	V	87.4	Confident	83.2	Confident	4 Å²	4	62 Å²	62	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-74.7	-37.8	177.3	177.1	0	0	0	0	111.8	R303 L304 K305 D309 L310 I316 D320 I324	R303-V307 WeakPolarHBondContact O-CG2 3.43Å; R303-V307 PolarHBondContact O-N 3.21Å; R303-V307 VanDerWaalsContact O-N 3.09Å; L304-V307 CarbonylContact O-C 3.54Å; L304-V307 WeakPolarHBondContact O-CA 3.39Å; L304-V307 WeakPolarHBondContact O-CB 3.47Å; L304-V307 PolarHBondContact O-N 3.02Å; K305-V307 PolarHBondContact O-N 3.29Å; V307-D309 VanDerWaalsContact C-N 3.31Å; V307-L310 HydrophobicContact CB-CD1 4.45Å; V307-L310 HydrophobicContact CG1-CD1 4.11Å; V307-L310 VanDerWaalsContact O-CB 3.27Å; V307-L310 WeakPolarHBondContact O-CB 3.48Å; V307-L310 WeakPolarHBondContact O-CG 3.29Å; V307-L310 PolarHBondContact O-N 3.05Å; V307-I316 HydrophobicContact CG1-CG2 4.35Å; V307-D320 HydrophobicContact CG1-CB 4.15Å; V307-D320 HydrophobicContact CG2-CB 3.83Å; V307-I324 HydrophobicContact CG1-CD1 3.64Å; V307-I324 HydrophobicContact CG1-CG1 4.28Å
308	L	87.1	Confident	82.6	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-35	176.2	-67	179.5	0	0	0	111.9	L304 K305 L310 L331 F335 S339 K342	L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.47Å; L304-L308 PolarHBondContact O-N 2.79Å; K305-L308 PolarHBondContact O-N 2.91Å; K305-L308 VanDerWaalsContact O-N 3.13Å; L308-L310 PolarHBondContact O-N 3.1Å; L308-L331 HydrophobicContact CD1-CD2 4.05Å; L308-F335 HydrophobicContact CD1-CB 3.94Å; L308-F335 HydrophobicContact CD1-CD2 4.14Å; L308-F335 HydrophobicContact CD1-CG 4Å; L308-S339 VanDerWaalsContact CD2-CA 3.47Å; L308-K342 HydrophobicContact CD2-CB 4.42Å; L308-K342 HydrophobicContact CD2-CG 4.39Å
309	D	80.5	Confident	82.2	Confident	98 Å²	98	57.9 Å²	57.9	52%	0.524	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.1	177.2	-64.4	-24.1	0	0	0	113	K305 V307 P311	K305-D309 WeakPolarHBondContact O-CB 3.41Å; K305-D309 VanDerWaalsContact O-CG 3.26Å; K305-D309 PolarHBondContact O-N 2.95Å; V307-D309 VanDerWaalsContact C-N 3.31Å; D309-P311 WeakPolarHBondContact O-CD 3.49Å
310	L	78	Confident	82.1	Confident	49 Å²	49	52.8 Å²	52.8	26%	0.257	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-64.6	127.7	174.3	-69.3	173.7	0	0	0	109.9	V307 L308 L314 K342	V307-L310 HydrophobicContact CB-CD1 4.45Å; V307-L310 HydrophobicContact CG1-CD1 4.11Å; V307-L310 VanDerWaalsContact O-CB 3.27Å; V307-L310 WeakPolarHBondContact O-CB 3.48Å; V307-L310 WeakPolarHBondContact O-CG 3.29Å; V307-L310 PolarHBondContact O-N 3.05Å; L308-L310 PolarHBondContact O-N 3.1Å; L310-L314 HydrophobicContact CD2-CD1 4.44Å; L310-K342 WeakPolarHBondContact O-CE 3.43Å; L310-K342 PolarHBondContact O-NZ 3.05Å
311	P	69.3	Low	81.9	Confident	1 Å²	1	51 Å²	51	1%	0.006	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-67.4	160.3	-178	19.8	-27.1	0	0	0	112.3	D309 L314 L848 K874	D309-P311 WeakPolarHBondContact O-CD 3.49Å; P311-L314 HydrophobicContact CG-CD1 3.58Å; P311-L848 HydrophobicContact CB-CD1 3.95Å; P311-K874 HydrophobicContact CB-CD 4.13Å; P311-K874 VanDerWaalsContact CB-CE 3.44Å; P311-K874 HydrophobicContact CB-CG 4.39Å; P311-K874 HydrophobicContact CG-CD 3.71Å; P311-K874 VanDerWaalsContact CG-CE 3.4Å; P311-K874 HydrophobicContact CG-CG 4.29Å
312	P	69.6	Low	81.7	Confident	7 Å²	7	50.9 Å²	50.9	5%	0.045	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	145.7	173.3	-23.6	33	0	0	0	111.5	E375 L848	P312-E375 HydrophobicContact CB-CG 4.18Å; P312-E375 HydrophobicContact CG-CG 4.36Å; P312-L848 HydrophobicContact CG-CB 4.45Å
313	G	64.7	Low	81.7	Confident	49 Å²	49	49.5 Å²	49.5	51%	0.505	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-17.3	178.1	0	0	0	0	0	116	Q380	G313-Q380 VanDerWaalsContact N-OE1 3.14Å; G313-Q380 PolarHBondContact O-NE2 2.87Å
314	L	67.9	Low	81.7	Confident	80 Å²	80	44.2 Å²	44.2	42%	0.419	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-84.9	138.5	179.6	-81.6	156	0	0	0	112.6	L310 P311 I316	L310-L314 HydrophobicContact CD2-CD1 4.44Å; P311-L314 HydrophobicContact CG-CD1 3.58Å; L314-I316 PolarHBondContact O-N 2.86Å
315	N	69.1	Low	81.6	Confident	115 Å²	115	44.3 Å²	44.3	62%	0.615	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-73.1	126	173.5	-70.7	-29.1	0	0	0	110.2	Q263	Q263-N315 PolarHBondContact NE2-OD1 3.38Å
316	I	80.5	Confident	81.6	Confident	32 Å²	32	43.7 Å²	43.7	16%	0.164	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-75.1	132.7	172.3	-53.9	178	0	0	0	107.9	V307 L314 D320 I324 K342 L345	V307-I316 HydrophobicContact CG1-CG2 4.35Å; L314-I316 PolarHBondContact O-N 2.86Å; I316-D320 HydrophobicContact CG2-CB 3.6Å; I316-I324 HydrophobicContact CD1-CD1 3.93Å; I316-I324 HydrophobicContact CG2-CD1 4.11Å; I316-K342 HydrophobicContact CD1-CB 4.01Å; I316-K342 HydrophobicContact CD1-CD 3.69Å; I316-K342 HydrophobicContact CD1-CG 4.45Å; I316-K342 HydrophobicContact CG1-CD 4.36Å; I316-L345 HydrophobicContact CD1-CB 3.7Å; I316-L345 HydrophobicContact CD1-CD1 3.86Å; I316-L345 HydrophobicContact CD1-CG 4.44Å; I316-L345 HydrophobicContact CG1-CD1 4.28Å
317	S	83.4	Confident	81.8	Confident	46 Å²	46	39 Å²	39	32%	0.322	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-62.7	153.7	174.3	77.6	0	0	0	0	110.5	S319 D320 G321	S317-S319 VanDerWaalsContact C-N 3.26Å; S317-S319 PolarHBondContact O-N 3.08Å; S317-S319 PolarHBondContact OG-OG 2.98Å; S317-D320 PolarHBondContact O-N 2.95Å; S317-D320 VanDerWaalsContact O-N 3.13Å; S317-D320 WeakPolarHBondContact OG-CB 3.48Å; S317-D320 PolarHBondContact OG-N 2.87Å; S317-D320 VanDerWaalsContact OG-N 3.1Å; S317-D320 PolarHBondContact OG-OD2 2.75Å; S317-G321 PolarHBondContact O-N 2.97Å
318	E	78.6	Confident	82.1	Confident	77 Å²	77	39 Å²	39	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-38.9	179.7	-66	-157.4	130.5	0	0	112.4	D320 G321 D322 R348	E318-D320 PolarHBondContact O-N 2.62Å; E318-G321 PolarHBondContact O-N 3.27Å; E318-D322 PolarHBondContact O-N 3.3Å; E318-R348 IonicContact OE1-CZ 2.9Å; E318-R348 IonicContact OE1-NH2 3.28Å; E318-R348 PolarHBondContact OE1-NH2 2.74Å
319	S	83.7	Confident	82.4	Confident	77 Å²	77	40.4 Å²	40.4	54%	0.538	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-40.9	175.1	48.7	0	0	0	0	113	S317 D322 L323	S317-S319 VanDerWaalsContact C-N 3.26Å; S317-S319 PolarHBondContact O-N 3.08Å; S317-S319 PolarHBondContact OG-OG 2.98Å; S319-D322 PolarHBondContact O-N 3.06Å; S319-L323 WeakPolarHBondContact O-CG 3.39Å; S319-L323 PolarHBondContact O-N 2.87Å
320	D	89	Confident	83	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-71.7	-36.2	177.6	-66	-41	0	0	0	111	R303 V307 I316 S317 E318 D322 L323 I324	R303-D320 IonicContact CZ-OD1 3.3Å; R303-D320 VanDerWaalsContact CZ-OD1 3.28Å; R303-D320 IonicContact CZ-OD2 3.81Å; R303-D320 IonicContact NE-OD1 3.86Å; R303-D320 PolarHBondContact NE-OD1 3.28Å; R303-D320 VanDerWaalsContact NH2-CG 3.26Å; R303-D320 IonicContact NH2-OD1 3.53Å; R303-D320 PolarHBondContact NH2-OD1 3.26Å; R303-D320 IonicContact NH2-OD2 3.15Å; R303-D320 PolarHBondContact NH2-OD2 3.2Å; V307-D320 HydrophobicContact CG1-CB 4.15Å; V307-D320 HydrophobicContact CG2-CB 3.83Å; I316-D320 HydrophobicContact CG2-CB 3.6Å; S317-D320 PolarHBondContact O-N 2.95Å; S317-D320 VanDerWaalsContact O-N 3.13Å; S317-D320 WeakPolarHBondContact OG-CB 3.48Å; S317-D320 PolarHBondContact OG-N 2.87Å; S317-D320 VanDerWaalsContact OG-N 3.1Å; S317-D320 PolarHBondContact OG-OD2 2.75Å; E318-D320 PolarHBondContact O-N 2.62Å; D320-D322 VanDerWaalsContact C-N 3.34Å; D320-L323 WeakPolarHBondContact O-CB 3.47Å; D320-L323 PolarHBondContact O-N 3.22Å; D320-I324 WeakPolarHBondContact O-CG1 3.37Å; D320-I324 PolarHBondContact O-N 3.15Å
321	G	88.2	Confident	83.7	Confident	5 Å²	5	35.6 Å²	35.6	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-40	172.4	0	0	0	0	0	112.2	R283 S317 E318 I324 W325 S346	R283-G321 PolarHBondContact NH2-O 3.46Å; S317-G321 PolarHBondContact O-N 2.97Å; E318-G321 PolarHBondContact O-N 3.27Å; G321-I324 PolarHBondContact O-N 2.8Å; G321-W325 WeakPolarHBondContact O-CB 3.48Å; G321-W325 PolarHBondContact O-N 2.67Å; G321-S346 WeakPolarHBondContact O-CB 3.48Å
322	D	87	Confident	84.9	Confident	30 Å²	30	35.9 Å²	35.9	16%	0.16	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-38	174.1	-77.8	-23.8	0	0	0	112.6	R283 E318 S319 D320 W325 K326	R283-D322 IonicContact CZ-OD1 2.78Å; R283-D322 IonicContact NE-OD1 3.44Å; R283-D322 PolarHBondContact NE-OD1 3.12Å; R283-D322 IonicContact NH2-OD1 3.2Å; R283-D322 PolarHBondContact NH2-OD1 3.05Å; E318-D322 PolarHBondContact O-N 3.3Å; S319-D322 PolarHBondContact O-N 3.06Å; D320-D322 VanDerWaalsContact C-N 3.34Å; D322-W325 PolarHBondContact O-N 3.32Å; D322-K326 WeakPolarHBondContact O-CB 3.4Å; D322-K326 PolarHBondContact O-N 3.47Å
323	L	90.1	Very high	86	Confident	42 Å²	42	40.4 Å²	40.4	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-47.3	172.3	-72.6	173.4	0	0	0	111.4	I300 R303 L304 S319 D320 W325 K326 Y327	I300-L323 HydrophobicContact CG2-CD2 4.34Å; R303-L323 HydrophobicContact CG-CD1 4Å; L304-L323 HydrophobicContact CD2-CB 4.02Å; S319-L323 WeakPolarHBondContact O-CG 3.39Å; S319-L323 PolarHBondContact O-N 2.87Å; D320-L323 WeakPolarHBondContact O-CB 3.47Å; D320-L323 PolarHBondContact O-N 3.22Å; L323-W325 PolarHBondContact O-N 2.77Å; L323-K326 PolarHBondContact O-N 3.15Å; L323-Y327 HydrophobicContact CD2-CE2 4.26Å; L323-Y327 VanDerWaalsContact O-CD2 3.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.42Å; L323-Y327 PolarHBondContact O-N 3.13Å
324	I	91.8	Very high	87.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-48.2	176.9	-68.5	159.9	0	0	0	110.5	L304 V307 I316 D320 G321 K326 Y327 R328 L331 K342 F343	L304-I324 HydrophobicContact CD2-CG1 4.38Å; V307-I324 HydrophobicContact CG1-CD1 3.64Å; V307-I324 HydrophobicContact CG1-CG1 4.28Å; I316-I324 HydrophobicContact CD1-CD1 3.93Å; I316-I324 HydrophobicContact CG2-CD1 4.11Å; D320-I324 WeakPolarHBondContact O-CG1 3.37Å; D320-I324 PolarHBondContact O-N 3.15Å; G321-I324 PolarHBondContact O-N 2.8Å; I324-K326 VanDerWaalsContact C-N 3.33Å; I324-K326 PolarHBondContact O-N 3.29Å; I324-Y327 CarbonylContact O-C 3.53Å; I324-Y327 PolarHBondContact O-N 2.8Å; I324-R328 WeakPolarHBondContact O-CA 3.48Å; I324-R328 PolarHBondContact O-N 3.3Å; I324-L331 HydrophobicContact CB-CD1 4.34Å; I324-L331 HydrophobicContact CG1-CD1 4.41Å; I324-L331 HydrophobicContact CG2-CD1 4.05Å; I324-K342 HydrophobicContact CD1-CB 3.85Å; I324-F343 HydrophobicContact CG2-CB 4.21Å
325	W	90.3	Very high	88.6	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-45.4	178.4	-177.6	-90.2	0	0	0	111.6	R283 G321 D322 L323 Y327 R328 F343 V347 Q354 Q357	R283-W325 VanDerWaalsContact CG-CD1 3.49Å; R283-W325 HydrophobicContact CG-CG 4.22Å; G321-W325 WeakPolarHBondContact O-CB 3.48Å; G321-W325 PolarHBondContact O-N 2.67Å; D322-W325 PolarHBondContact O-N 3.32Å; L323-W325 PolarHBondContact O-N 2.77Å; W325-Y327 VanDerWaalsContact C-N 3.33Å; W325-Y327 PolarHBondContact O-N 3.22Å; W325-R328 WeakPolarHBondContact O-CB 3.42Å; W325-R328 VanDerWaalsContact O-CD 3.29Å; W325-R328 WeakPolarHBondContact O-CD 3.28Å; W325-R328 WeakPolarHBondContact O-CG 3.49Å; W325-R328 PolarHBondContact O-N 2.93Å; W325-R328 PolarHBondContact O-NH1 3.11Å; W325-F343 HydrophobicContact CE3-CE2 4.29Å; W325-F343 HydrophobicContact CZ3-CE2 4.3Å; W325-V347 HydrophobicContact CE3-CG2 4.49Å; W325-V347 HydrophobicContact CZ3-CB 4.36Å; W325-V347 HydrophobicContact CZ3-CG1 4.2Å; W325-V347 HydrophobicContact CZ3-CG2 3.98Å; W325-Q354 HydrophobicContact CH2-CB 3.69Å; W325-Q354 HydrophobicContact CH2-CG 3.77Å; W325-Q354 HydrophobicContact CZ2-CB 4.27Å; W325-Q354 HydrophobicContact CZ2-CG 3.84Å; W325-Q354 HydrophobicContact CZ3-CB 4.36Å; W325-Q357 HydrophobicContact CH2-CB 4.28Å; W325-Q357 HydrophobicContact CZ2-CB 4.48Å
326	K	89.9	Confident	89.7	Confident	73 Å²	73	38.3 Å²	38.3	32%	0.317	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-36.1	-179.1	-179.3	172	178	-179.7	0	113.5	R294 D322 L323 I324	R294-K326 VanDerWaalsContact CZ-CE 3.47Å; R294-K326 VanDerWaalsContact NH1-CE 3.35Å; R294-K326 VanDerWaalsContact NH1-CG 3.31Å; D322-K326 WeakPolarHBondContact O-CB 3.4Å; D322-K326 PolarHBondContact O-N 3.47Å; L323-K326 PolarHBondContact O-N 3.15Å; I324-K326 VanDerWaalsContact C-N 3.33Å; I324-K326 PolarHBondContact O-N 3.29Å
327	Y	92.8	Very high	90.2	Very high	13 Å²	13	41.3 Å²	41.3	5%	0.051	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	16.2	-178.4	-65.7	-80.5	0	0	0	113.2	R294 K295 P296 I300 L304 L323 I324 W325 F329 Y330 L331	R294-Y327 HydrophobicContact CG-CD1 3.91Å; R294-Y327 HydrophobicContact CG-CE1 3.49Å; R294-Y327 VanDerWaalsContact CG-CE1 3.49Å; K295-Y327 VanDerWaalsContact C-CE1 3.5Å; P296-Y327 VanDerWaalsContact CA-CE1 3.47Å; P296-Y327 HydrophobicContact CB-CD1 4.05Å; P296-Y327 HydrophobicContact CB-CE1 3.82Å; P296-Y327 HydrophobicContact CG-CD1 4.36Å; I300-Y327 HydrophobicContact CD1-CE2 4.48Å; I300-Y327 WeakPolarHBondContact CD1-OH 3.45Å; I300-Y327 HydrophobicContact CG2-CD2 4.09Å; I300-Y327 HydrophobicContact CG2-CE2 3.53Å; L304-Y327 HydrophobicContact CD1-CD2 4.02Å; L304-Y327 HydrophobicContact CD1-CG 4.1Å; L323-Y327 HydrophobicContact CD2-CE2 4.26Å; L323-Y327 VanDerWaalsContact O-CD2 3.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.42Å; L323-Y327 PolarHBondContact O-N 3.13Å; I324-Y327 CarbonylContact O-C 3.53Å; I324-Y327 PolarHBondContact O-N 2.8Å; W325-Y327 VanDerWaalsContact C-N 3.33Å; W325-Y327 PolarHBondContact O-N 3.22Å; Y327-F329 VanDerWaalsContact C-N 3.29Å; Y327-F329 PolarHBondContact O-N 2.83Å; Y327-F329 VanDerWaalsContact O-N 3.13Å; Y327-Y330 WeakPolarHBondContact O-CB 3.3Å; Y327-Y330 PolarHBondContact O-N 2.95Å; Y327-L331 WeakPolarHBondContact O-CG 2.99Å; Y327-L331 PolarHBondContact O-N 3.03Å
328	R	92.7	Very high	90.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-50.4	-40.8	-172.8	64.5	-169.7	175.8	-74.5	4.3	114.9	D291 I324 W325 A332 F343 L361	D291-R328 IonicContact OD2-CZ 3.69Å; D291-R328 IonicContact OD2-NH1 3.54Å; D291-R328 PolarHBondContact OD2-NH1 3.41Å; D291-R328 IonicContact OD2-NH2 2.97Å; D291-R328 PolarHBondContact OD2-NH2 2.87Å; D291-R328 VanDerWaalsContact OD2-NH2 3.15Å; I324-R328 WeakPolarHBondContact O-CA 3.48Å; I324-R328 PolarHBondContact O-N 3.3Å; W325-R328 WeakPolarHBondContact O-CB 3.42Å; W325-R328 VanDerWaalsContact O-CD 3.29Å; W325-R328 WeakPolarHBondContact O-CD 3.28Å; W325-R328 WeakPolarHBondContact O-CG 3.49Å; W325-R328 PolarHBondContact O-N 2.93Å; W325-R328 PolarHBondContact O-NH1 3.11Å; R328-A332 VanDerWaalsContact O-CB 3.28Å; R328-A332 WeakPolarHBondContact O-CB 3.15Å; R328-A332 PolarHBondContact O-N 3.05Å; R328-F343 HydrophobicContact CB-CD2 3.9Å; R328-F343 HydrophobicContact CB-CE2 3.82Å; R328-F343 HydrophobicContact CG-CE2 4.47Å; R328-L361 HydrophobicContact CB-CD2 3.77Å; R328-L361 HydrophobicContact CG-CD2 3.78Å
329	F	93.1	Very high	91	Very high	36 Å²	36	38 Å²	38	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-41.9	178.6	-62.3	-75.4	0	0	0	112.5	D291 R292 Y327 D333 L361	D291-F329 HydrophobicContact CB-CD2 4.05Å; D291-F329 HydrophobicContact CB-CE2 4.01Å; R292-F329 HydrophobicContact CB-CD2 4.25Å; R292-F329 HydrophobicContact CB-CE2 4.49Å; R292-F329 HydrophobicContact CB-CG 4.44Å; R292-F329 HydrophobicContact CG-CD1 3.89Å; R292-F329 HydrophobicContact CG-CD2 3.7Å; R292-F329 HydrophobicContact CG-CE1 3.79Å; R292-F329 HydrophobicContact CG-CE2 3.59Å; R292-F329 HydrophobicContact CG-CG 3.85Å; R292-F329 HydrophobicContact CG-CZ 3.64Å; Y327-F329 VanDerWaalsContact C-N 3.29Å; Y327-F329 PolarHBondContact O-N 2.83Å; Y327-F329 VanDerWaalsContact O-N 3.13Å; F329-D333 PolarHBondContact O-N 3.47Å; F329-D333 VanDerWaalsContact O-N 3.12Å; F329-L361 HydrophobicContact CD1-CD1 3.74Å; F329-L361 HydrophobicContact CE1-CD1 3.89Å
330	Y	93.5	Very high	91.5	Very high	45 Å²	45	34.4 Å²	34.4	18%	0.176	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-41.8	175.4	174.2	-90.7	0	0	0	111.5	K295 P296 L301 Y327 D333 K334 F335	K295-Y330 HydrophobicContact CG-CD2 4.3Å; P296-Y330 HydrophobicContact CG-CD1 3.82Å; P296-Y330 HydrophobicContact CG-CE1 3.49Å; P296-Y330 VanDerWaalsContact CG-CE1 3.49Å; P296-Y330 HydrophobicContact CG-CE2 4.4Å; P296-Y330 HydrophobicContact CG-CG 4.41Å; L301-Y330 HydrophobicContact CD1-CE1 3.95Å; Y327-Y330 WeakPolarHBondContact O-CB 3.3Å; Y327-Y330 PolarHBondContact O-N 2.95Å; Y330-D333 PolarHBondContact O-N 3.21Å; Y330-K334 HydrophobicContact CD2-CG 4.23Å; Y330-K334 HydrophobicContact CE1-CB 4.37Å; Y330-K334 HydrophobicContact CE1-CG 4.29Å; Y330-K334 HydrophobicContact CE2-CG 3.81Å; Y330-K334 WeakPolarHBondContact O-CB 3.42Å; Y330-K334 PolarHBondContact O-N 3.06Å; Y330-F335 HydrophobicContact CE1-CE2 4.1Å
331	L	93.7	Very high	91.6	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-42.9	178.4	-69.4	176.2	0	0	0	111.9	L304 L308 I324 Y327 D333 K334 F335 S339	L304-L331 HydrophobicContact CD1-CD2 4.24Å; L304-L331 HydrophobicContact CD2-CD1 4.17Å; L308-L331 HydrophobicContact CD1-CD2 4.05Å; I324-L331 HydrophobicContact CB-CD1 4.34Å; I324-L331 HydrophobicContact CG1-CD1 4.41Å; I324-L331 HydrophobicContact CG2-CD1 4.05Å; Y327-L331 WeakPolarHBondContact O-CG 2.99Å; Y327-L331 PolarHBondContact O-N 3.03Å; L331-D333 VanDerWaalsContact C-N 3.3Å; L331-D333 PolarHBondContact O-N 3.45Å; L331-K334 PolarHBondContact O-N 3.07Å; L331-F335 HydrophobicContact CD2-CD2 4.13Å; L331-F335 CarbonylContact O-C 3.27Å; L331-F335 WeakPolarHBondContact O-CA 3.42Å; L331-F335 PolarHBondContact O-N 3.24Å; L331-S339 PolarHBondContact O-OG 3.46Å
332	A	93.7	Very high	91.8	Very high	6 Å²	6	34.2 Å²	34.2	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-38.6	174.8	0	0	0	0	0	112.2	R328 P336 L361 W365 P366	R328-A332 VanDerWaalsContact O-CB 3.28Å; R328-A332 WeakPolarHBondContact O-CB 3.15Å; R328-A332 PolarHBondContact O-N 3.05Å; A332-P336 WeakPolarHBondContact O-CB 3.17Å; A332-L361 HydrophobicContact CB-CD1 4.22Å; A332-W365 HydrophobicContact CB-CD2 4.24Å; A332-W365 HydrophobicContact CB-CE3 3.94Å; A332-W365 HydrophobicContact CB-CH2 3.83Å; A332-W365 HydrophobicContact CB-CZ2 4.12Å; A332-W365 HydrophobicContact CB-CZ3 3.74Å; A332-P366 WeakPolarHBondContact O-CG 3.17Å
333	D	93.1	Very high	92.1	Very high	102 Å²	102	32.9 Å²	32.9	55%	0.545	16%	0.159	S	C	.	.	H	α-helix	trans	-75	-44.2	178.3	178.8	67.9	0	0	0	113.2	F329 Y330 L331	F329-D333 PolarHBondContact O-N 3.47Å; F329-D333 VanDerWaalsContact O-N 3.12Å; Y330-D333 PolarHBondContact O-N 3.21Å; L331-D333 VanDerWaalsContact C-N 3.3Å; L331-D333 PolarHBondContact O-N 3.45Å
334	K	92.9	Very high	92.2	Very high	115 Å²	115	31.1 Å²	31.1	50%	0.5	15%	0.15	S	C	.	.	H	α-helix	trans	-93.2	-29.2	-171.1	-67.8	-65.8	177.5	-112.3	0	115	Y330 L331	Y330-K334 HydrophobicContact CD2-CG 4.23Å; Y330-K334 HydrophobicContact CE1-CB 4.37Å; Y330-K334 HydrophobicContact CE1-CG 4.29Å; Y330-K334 HydrophobicContact CE2-CG 3.81Å; Y330-K334 WeakPolarHBondContact O-CB 3.42Å; Y330-K334 PolarHBondContact O-N 3.06Å; L331-K334 PolarHBondContact O-N 3.07Å
335	F	92.9	Very high	92.1	Very high	59 Å²	59	33 Å²	33	26%	0.259	16%	0.16	S	C	.	.			trans	-138.4	53.4	-174.3	-54.1	-74.6	0	0	0	111	L301 L308 Y330 L331 E337 S339	L301-F335 HydrophobicContact CD1-CE2 4.07Å; L301-F335 HydrophobicContact CD1-CZ 4.44Å; L308-F335 HydrophobicContact CD1-CB 3.94Å; L308-F335 HydrophobicContact CD1-CD2 4.14Å; L308-F335 HydrophobicContact CD1-CG 4Å; Y330-F335 HydrophobicContact CE1-CE2 4.1Å; L331-F335 HydrophobicContact CD2-CD2 4.13Å; L331-F335 CarbonylContact O-C 3.27Å; L331-F335 WeakPolarHBondContact O-CA 3.42Å; L331-F335 PolarHBondContact O-N 3.24Å; F335-E337 VanDerWaalsContact C-N 3.26Å; F335-E337 PolarHBondContact O-N 3.36Å; F335-S339 WeakPolarHBondContact O-CB 3.4Å; F335-S339 PolarHBondContact O-N 2.98Å; F335-S339 PolarHBondContact O-OG 3.49Å
336	P	93.3	Very high	92.1	Very high	26 Å²	26	33.1 Å²	33.1	17%	0.169	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-33.9	-171	21.9	-33	0	0	0	113.8	A332 W365 P366 I368	A332-P336 WeakPolarHBondContact O-CB 3.17Å; P336-W365 PolarHBondContact O-NE1 2.99Å; P336-P366 HydrophobicContact CB-CB 3.97Å; P336-P366 HydrophobicContact CB-CG 4.01Å; P336-P366 HydrophobicContact CG-CB 4.34Å; P336-I368 HydrophobicContact CB-CG2 3.8Å; P336-I368 HydrophobicContact CG-CG2 4.39Å
337	E	90	Very high	92	Very high	95 Å²	95	29.8 Å²	29.8	44%	0.444	15%	0.147	S	C	.	.	H	α-helix	trans	-74.9	-49	-176	-65.1	168.6	174.2	0	0	112.1	F335 I368 H372	F335-E337 VanDerWaalsContact C-N 3.26Å; F335-E337 PolarHBondContact O-N 3.36Å; E337-I368 HydrophobicContact CG-CB 4.14Å; E337-I368 HydrophobicContact CG-CG2 3.86Å; E337-H372 IonicContact OE1-NE2 3.55Å; E337-H372 IonicContact OE2-NE2 2.84Å
338	T	87.8	Confident	91.5	Very high	54 Å²	54	30.7 Å²	30.7	33%	0.331	15%	0.15	S	C	.	.	H	α-helix	trans	-83.7	-23.1	-176.6	56	0	0	0	0	113.2
339	S	92.6	Very high	91.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-87.8	-20.5	-177.1	70.3	0	0	0	0	115.2	L308 L331 F335 A341 K342 F343 W365	L308-S339 VanDerWaalsContact CD2-CA 3.47Å; L331-S339 PolarHBondContact O-OG 3.46Å; F335-S339 WeakPolarHBondContact O-CB 3.4Å; F335-S339 PolarHBondContact O-N 2.98Å; F335-S339 PolarHBondContact O-OG 3.49Å; S339-A341 PolarHBondContact O-N 3.41Å; S339-K342 PolarHBondContact O-N 3.34Å; S339-F343 WeakPolarHBondContact O-CB 3.49Å; S339-F343 PolarHBondContact O-N 2.82Å; S339-W365 WeakPolarHBondContact OG-CZ2 3.25Å
340	L	93.6	Very high	90.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-54.5	-173.6	174.5	63.9	0	0	0	113.1	K342 F343 I344 L362 W365 I368 V373 L376 F389	L340-K342 VanDerWaalsContact C-N 3.33Å; L340-K342 PolarHBondContact O-N 3.46Å; L340-F343 WeakPolarHBondContact O-CB 3.42Å; L340-F343 PolarHBondContact O-N 3.32Å; L340-I344 HydrophobicContact CD1-CD1 3.79Å; L340-I344 HydrophobicContact CD1-CG1 4.34Å; L340-I344 HydrophobicContact CG-CD1 4.17Å; L340-I344 WeakPolarHBondContact O-CG1 3.22Å; L340-I344 PolarHBondContact O-N 3.45Å; L340-L362 HydrophobicContact CD1-CD2 3.61Å; L340-W365 VanDerWaalsContact CA-CZ2 3.45Å; L340-W365 HydrophobicContact CB-CZ2 3.78Å; L340-W365 HydrophobicContact CD1-CD2 3.95Å; L340-W365 HydrophobicContact CD1-CE3 4.37Å; L340-W365 HydrophobicContact CD1-CG 4.37Å; L340-W365 HydrophobicContact CD1-CH2 4.46Å; L340-W365 HydrophobicContact CD1-CZ2 4.04Å; L340-I368 HydrophobicContact CD2-CD1 3.34Å; L340-V373 HydrophobicContact CD2-CG1 4Å; L340-L376 HydrophobicContact CD2-CD1 3.9Å; L340-L376 HydrophobicContact CG-CD1 4.21Å; L340-F389 HydrophobicContact CD1-CD1 4.47Å; L340-F389 HydrophobicContact CD1-CE1 3.79Å; L340-F389 HydrophobicContact CD1-CZ 4.45Å; L340-F389 HydrophobicContact CD2-CE1 3.75Å; L340-F389 HydrophobicContact CG-CE1 4.41Å
341	A	91.7	Very high	89.5	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-43.8	-179.5	0	0	0	0	0	111.3	S339 F343 I344 L345 E375 L376 F381	S339-A341 PolarHBondContact O-N 3.41Å; A341-F343 VanDerWaalsContact C-N 3.33Å; A341-F343 PolarHBondContact O-N 3.07Å; A341-I344 PolarHBondContact O-N 3.48Å; A341-L345 WeakPolarHBondContact O-CG 3.18Å; A341-L345 PolarHBondContact O-N 2.91Å; A341-E375 HydrophobicContact CB-CB 4.44Å; A341-E375 HydrophobicContact CB-CG 4.04Å; A341-E375 WeakPolarHBondContact CB-OE1 3.22Å; A341-E375 WeakPolarHBondContact CB-OE2 3.3Å; A341-L376 HydrophobicContact CB-CD2 4.17Å; A341-F381 HydrophobicContact CB-CE1 4.41Å; A341-F381 HydrophobicContact CB-CZ 3.81Å; A341-F381 WeakPolarHBondContact O-CE1 3.49Å
342	K	91.9	Very high	88.8	Confident	9 Å²	9	39.3 Å²	39.3	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-36.9	179	-55.3	-59.2	-176.4	-84.1	0	112	L308 L310 I316 I324 S339 L340 L345 S346 E375	L308-K342 HydrophobicContact CD2-CB 4.42Å; L308-K342 HydrophobicContact CD2-CG 4.39Å; L310-K342 WeakPolarHBondContact O-CE 3.43Å; L310-K342 PolarHBondContact O-NZ 3.05Å; I316-K342 HydrophobicContact CD1-CB 4.01Å; I316-K342 HydrophobicContact CD1-CD 3.69Å; I316-K342 HydrophobicContact CD1-CG 4.45Å; I316-K342 HydrophobicContact CG1-CD 4.36Å; I324-K342 HydrophobicContact CD1-CB 3.85Å; S339-K342 PolarHBondContact O-N 3.34Å; L340-K342 VanDerWaalsContact C-N 3.33Å; L340-K342 PolarHBondContact O-N 3.46Å; K342-L345 PolarHBondContact O-N 3.16Å; K342-S346 PolarHBondContact O-N 3.23Å; K342-S346 VanDerWaalsContact O-N 3.07Å; K342-E375 IonicContact NZ-OE1 3.15Å; K342-E375 PolarHBondContact NZ-OE1 3.41Å
343	F	93.6	Very high	88.1	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-50.4	172.2	168.3	-111.4	0	0	0	111.4	I324 W325 R328 S339 L340 A341 L345 S346 V347 A358 L361 L362 W365	I324-F343 HydrophobicContact CG2-CB 4.21Å; W325-F343 HydrophobicContact CE3-CE2 4.29Å; W325-F343 HydrophobicContact CZ3-CE2 4.3Å; R328-F343 HydrophobicContact CB-CD2 3.9Å; R328-F343 HydrophobicContact CB-CE2 3.82Å; R328-F343 HydrophobicContact CG-CE2 4.47Å; S339-F343 WeakPolarHBondContact O-CB 3.49Å; S339-F343 PolarHBondContact O-N 2.82Å; L340-F343 WeakPolarHBondContact O-CB 3.42Å; L340-F343 PolarHBondContact O-N 3.32Å; A341-F343 VanDerWaalsContact C-N 3.33Å; A341-F343 PolarHBondContact O-N 3.07Å; F343-L345 VanDerWaalsContact C-N 3.28Å; F343-L345 PolarHBondContact O-N 3.42Å; F343-S346 WeakPolarHBondContact O-CA 3.38Å; F343-S346 WeakPolarHBondContact O-CB 3.41Å; F343-S346 PolarHBondContact O-N 3.32Å; F343-S346 PolarHBondContact O-OG 3.04Å; F343-V347 HydrophobicContact CE2-CG2 4.39Å; F343-V347 HydrophobicContact CZ-CG2 4.29Å; F343-V347 WeakPolarHBondContact O-CG2 3.48Å; F343-V347 PolarHBondContact O-N 3.3Å; F343-A358 HydrophobicContact CE1-CB 4.32Å; F343-A358 HydrophobicContact CZ-CB 3.9Å; F343-L361 HydrophobicContact CE1-CD2 4.19Å; F343-L361 HydrophobicContact CE2-CD2 3.95Å; F343-L361 HydrophobicContact CZ-CB 4.4Å; F343-L361 HydrophobicContact CZ-CD2 3.73Å; F343-L361 HydrophobicContact CZ-CG 4.42Å; F343-L362 HydrophobicContact CE1-CD2 4.32Å; F343-L362 HydrophobicContact CE1-CG 4.31Å; F343-W365 HydrophobicContact CB-CH2 3.87Å; F343-W365 HydrophobicContact CB-CZ3 4.33Å; F343-W365 HydrophobicContact CD1-CE3 4.34Å; F343-W365 AromaticContact CD1-CH2 3.86Å; F343-W365 HydrophobicContact CD1-CH2 3.86Å; F343-W365 AromaticContact CD1-CZ3 3.46Å; F343-W365 HydrophobicContact CD1-CZ3 3.46Å; F343-W365 VanDerWaalsContact CD1-CZ3 3.46Å; F343-W365 AromaticContact CE1-CZ3 3.9Å; F343-W365 HydrophobicContact CE1-CZ3 3.9Å; F343-W365 AromaticContact CG-CH2 3.94Å; F343-W365 HydrophobicContact CG-CH2 3.94Å; F343-W365 AromaticContact CG-CZ3 3.89Å; F343-W365 HydrophobicContact CG-CZ3 3.89Å
344	I	92	Very high	87.6	Confident	5 Å²	5	40 Å²	40	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-36.7	179.9	-68.8	173	0	0	0	111.4	L340 A341 S346 V347 W349 L362 L376 F381	L340-I344 HydrophobicContact CD1-CD1 3.79Å; L340-I344 HydrophobicContact CD1-CG1 4.34Å; L340-I344 HydrophobicContact CG-CD1 4.17Å; L340-I344 WeakPolarHBondContact O-CG1 3.22Å; L340-I344 PolarHBondContact O-N 3.45Å; A341-I344 PolarHBondContact O-N 3.48Å; I344-S346 VanDerWaalsContact C-N 3.3Å; I344-S346 PolarHBondContact O-N 3.19Å; I344-V347 PolarHBondContact O-N 3.44Å; I344-W349 HydrophobicContact CG2-CZ2 3.78Å; I344-W349 PolarHBondContact O-NE1 3.34Å; I344-L362 HydrophobicContact CD1-CD2 4.18Å; I344-L362 HydrophobicContact CG1-CD2 4.38Å; I344-L376 HydrophobicContact CD1-CD1 3.58Å; I344-L376 HydrophobicContact CD1-CD2 3.59Å; I344-L376 HydrophobicContact CD1-CG 4.24Å; I344-F381 HydrophobicContact CB-CD1 4.15Å; I344-F381 HydrophobicContact CB-CE1 3.91Å; I344-F381 HydrophobicContact CG2-CD1 3.43Å; I344-F381 VanDerWaalsContact CG2-CD1 3.43Å; I344-F381 HydrophobicContact CG2-CE1 3.7Å
345	L	89.3	Confident	87.2	Confident	41 Å²	41	34.6 Å²	34.6	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-28.2	172.8	-71.3	173.2	0	0	0	113.3	I316 A341 K342 F343 V347 Q380 F381	I316-L345 HydrophobicContact CD1-CB 3.7Å; I316-L345 HydrophobicContact CD1-CD1 3.86Å; I316-L345 HydrophobicContact CD1-CG 4.44Å; I316-L345 HydrophobicContact CG1-CD1 4.28Å; A341-L345 WeakPolarHBondContact O-CG 3.18Å; A341-L345 PolarHBondContact O-N 2.91Å; K342-L345 PolarHBondContact O-N 3.16Å; F343-L345 VanDerWaalsContact C-N 3.28Å; F343-L345 PolarHBondContact O-N 3.42Å; L345-V347 VanDerWaalsContact C-N 3.29Å; L345-V347 PolarHBondContact O-N 3.03Å; L345-Q380 HydrophobicContact CD2-CB 4.16Å; L345-F381 HydrophobicContact CD1-CE1 4.38Å; L345-F381 HydrophobicContact CD1-CZ 3.88Å; L345-F381 HydrophobicContact CD2-CD1 4.38Å; L345-F381 HydrophobicContact CD2-CE1 3.8Å; L345-F381 HydrophobicContact CD2-CZ 3.87Å; L345-F381 HydrophobicContact CG-CE1 3.59Å; L345-F381 HydrophobicContact CG-CZ 3.6Å
346	S	89.5	Confident	86.8	Confident	6 Å²	6	34.1 Å²	34.1	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-75.2	-16.6	178.5	80.6	0	0	0	0	113.8	R283 G321 K342 F343 I344	R283-S346 PolarHBondContact NH1-O 2.91Å; R283-S346 PolarHBondContact NH2-O 2.87Å; G321-S346 WeakPolarHBondContact O-CB 3.48Å; K342-S346 PolarHBondContact O-N 3.23Å; K342-S346 VanDerWaalsContact O-N 3.07Å; F343-S346 WeakPolarHBondContact O-CA 3.38Å; F343-S346 WeakPolarHBondContact O-CB 3.41Å; F343-S346 PolarHBondContact O-N 3.32Å; F343-S346 PolarHBondContact O-OG 3.04Å; I344-S346 VanDerWaalsContact C-N 3.3Å; I344-S346 PolarHBondContact O-N 3.19Å
347	V	88.1	Confident	86.5	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.165	C	C	.	.			trans	-77	132.3	-178.1	-170.5	0	0	0	0	110.5	W325 F343 I344 L345 W349 Q354 A358	W325-V347 HydrophobicContact CE3-CG2 4.49Å; W325-V347 HydrophobicContact CZ3-CB 4.36Å; W325-V347 HydrophobicContact CZ3-CG1 4.2Å; W325-V347 HydrophobicContact CZ3-CG2 3.98Å; F343-V347 HydrophobicContact CE2-CG2 4.39Å; F343-V347 HydrophobicContact CZ-CG2 4.29Å; F343-V347 WeakPolarHBondContact O-CG2 3.48Å; F343-V347 PolarHBondContact O-N 3.3Å; I344-V347 PolarHBondContact O-N 3.44Å; L345-V347 VanDerWaalsContact C-N 3.29Å; L345-V347 PolarHBondContact O-N 3.03Å; V347-W349 HydrophobicContact CB-CD2 4.28Å; V347-W349 HydrophobicContact CB-CH2 4.47Å; V347-W349 HydrophobicContact CB-CZ2 3.79Å; V347-W349 HydrophobicContact CG1-CD2 3.94Å; V347-W349 HydrophobicContact CG1-CE3 4.18Å; V347-W349 HydrophobicContact CG1-CG 4.42Å; V347-W349 HydrophobicContact CG1-CH2 4.27Å; V347-W349 HydrophobicContact CG1-CZ2 4Å; V347-W349 HydrophobicContact CG1-CZ3 4.36Å; V347-W349 HydrophobicContact CG2-CH2 4.46Å; V347-W349 HydrophobicContact CG2-CZ2 3.94Å; V347-W349 PolarHBondContact O-N 2.95Å; V347-Q354 HydrophobicContact CG1-CB 4.3Å; V347-A358 HydrophobicContact CG1-CB 3.96Å; V347-A358 HydrophobicContact CG2-CB 3.87Å
348	R	82.7	Confident	86.5	Confident	33 Å²	33	29.3 Å²	29.3	13%	0.125	14%	0.144	C	C	.	.			trans	-92	95.6	167	-70.2	-160	-168.3	167.9	-5	109.5	F279 E318 E350 Y351	F279-R348 VanDerWaalsContact CD2-CZ 3.45Å; F279-R348 HydrophobicContact CE1-CB 3.92Å; F279-R348 HydrophobicContact CE1-CG 3.96Å; F279-R348 HydrophobicContact CE2-CB 4.44Å; F279-R348 VanDerWaalsContact CE2-CD 3.46Å; F279-R348 HydrophobicContact CE2-CG 3.71Å; F279-R348 HydrophobicContact CZ-CB 3.49Å; F279-R348 VanDerWaalsContact CZ-CB 3.49Å; F279-R348 HydrophobicContact CZ-CG 3.22Å; E318-R348 IonicContact OE1-CZ 2.9Å; E318-R348 IonicContact OE1-NH2 3.28Å; E318-R348 PolarHBondContact OE1-NH2 2.74Å; R348-E350 VanDerWaalsContact C-OE2 3.28Å; R348-E350 WeakPolarHBondContact CA-OE2 3.26Å; R348-E350 VanDerWaalsContact CB-OE2 3.3Å; R348-E350 WeakPolarHBondContact CB-OE2 2.99Å; R348-E350 PolarHBondContact O-N 3.43Å; R348-E350 VanDerWaalsContact O-N 3.12Å; R348-Y351 HydrophobicContact CB-CD2 3.64Å; R348-Y351 HydrophobicContact CB-CE2 3.98Å; R348-Y351 PolarHBondContact O-N 3.02Å; R348-Y351 VanDerWaalsContact O-N 3.17Å
349	W	83.9	Confident	86.5	Confident	39 Å²	39	27.2 Å²	27.2	15%	0.148	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.4	-174.4	-61.5	97.5	0	0	0	114	I344 V347 Y351 V355 A358 H383 A385	I344-W349 HydrophobicContact CG2-CZ2 3.78Å; I344-W349 PolarHBondContact O-NE1 3.34Å; V347-W349 HydrophobicContact CB-CD2 4.28Å; V347-W349 HydrophobicContact CB-CH2 4.47Å; V347-W349 HydrophobicContact CB-CZ2 3.79Å; V347-W349 HydrophobicContact CG1-CD2 3.94Å; V347-W349 HydrophobicContact CG1-CE3 4.18Å; V347-W349 HydrophobicContact CG1-CG 4.42Å; V347-W349 HydrophobicContact CG1-CH2 4.27Å; V347-W349 HydrophobicContact CG1-CZ2 4Å; V347-W349 HydrophobicContact CG1-CZ3 4.36Å; V347-W349 HydrophobicContact CG2-CH2 4.46Å; V347-W349 HydrophobicContact CG2-CZ2 3.94Å; V347-W349 PolarHBondContact O-N 2.95Å; W349-Y351 VanDerWaalsContact C-N 3.27Å; W349-Y351 PolarHBondContact O-N 2.99Å; W349-V355 HydrophobicContact CE3-CG1 4.27Å; W349-V355 HydrophobicContact CE3-CG2 3.91Å; W349-V355 HydrophobicContact CZ3-CG1 4.27Å; W349-V355 WeakPolarHBondContact O-CG2 3.47Å; W349-A358 HydrophobicContact CH2-CB 4.38Å; W349-H383 HydrophobicContact CB-CB 4.49Å; W349-H383 HydrophobicContact CD2-CB 3.65Å; W349-H383 AromaticContact CD2-CD2 3.79Å; W349-H383 AromaticContact CD2-CG 3.4Å; W349-H383 AromaticContact CD2-ND1 3.67Å; W349-H383 HydrophobicContact CE3-CB 4.03Å; W349-H383 AromaticContact CE3-CD2 3.63Å; W349-H383 AromaticContact CE3-CE1 3.25Å; W349-H383 AromaticContact CE3-CG 3.29Å; W349-H383 AromaticContact CE3-ND1 3.06Å; W349-H383 AromaticContact CE3-NE2 3.61Å; W349-H383 HydrophobicContact CG-CB 3.84Å; W349-H383 AromaticContact CG-CD2 3.83Å; W349-H383 AromaticContact CG-CG 3.77Å; W349-H383 AromaticContact CZ3-CE1 3.58Å; W349-H383 AromaticContact CZ3-CG 3.94Å; W349-H383 AromaticContact CZ3-ND1 3.27Å; W349-H383 VanDerWaalsContact CZ3-ND1 3.27Å; W349-H383 WeakPolarHBondContact CZ3-ND1 3.41Å; W349-A385 HydrophobicContact CH2-CB 4.45Å; W349-A385 HydrophobicContact CZ3-CB 4.04Å
350	E	75.4	Confident	86.3	Confident	113 Å²	113	31.2 Å²	31.2	53%	0.528	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.8	175.2	-47.6	82.8	-177.1	0	0	112.6	R267 R348	R267-E350 IonicContact NH1-OE1 3.09Å; R348-E350 VanDerWaalsContact C-OE2 3.28Å; R348-E350 WeakPolarHBondContact CA-OE2 3.26Å; R348-E350 VanDerWaalsContact CB-OE2 3.3Å; R348-E350 WeakPolarHBondContact CB-OE2 2.99Å; R348-E350 PolarHBondContact O-N 3.43Å; R348-E350 VanDerWaalsContact O-N 3.12Å
351	Y	78.2	Confident	86.2	Confident	58 Å²	58	31.5 Å²	31.5	23%	0.227	15%	0.151	C	C	.	.			trans	-106.4	111.7	-178.8	-59.1	-78.5	0	0	0	111.9	E276 F279 R348 W349 E353 Q354 V355	E276-Y351 WeakPolarHBondContact CG-OH 3.46Å; E276-Y351 PolarHBondContact OE1-OH 3.39Å; F279-Y351 HydrophobicContact CD1-CD2 4.4Å; F279-Y351 AromaticContact CD1-CE2 3.98Å; F279-Y351 HydrophobicContact CD1-CE2 3.98Å; F279-Y351 AromaticContact CE1-CD2 3.64Å; F279-Y351 HydrophobicContact CE1-CD2 3.64Å; F279-Y351 AromaticContact CE1-CE2 3.57Å; F279-Y351 HydrophobicContact CE1-CE2 3.57Å; R348-Y351 HydrophobicContact CB-CD2 3.64Å; R348-Y351 HydrophobicContact CB-CE2 3.98Å; R348-Y351 PolarHBondContact O-N 3.02Å; R348-Y351 VanDerWaalsContact O-N 3.17Å; W349-Y351 VanDerWaalsContact C-N 3.27Å; W349-Y351 PolarHBondContact O-N 2.99Å; Y351-E353 VanDerWaalsContact C-N 3.26Å; Y351-E353 PolarHBondContact O-N 2.92Å; Y351-E353 VanDerWaalsContact O-N 3.14Å; Y351-Q354 PolarHBondContact O-N 3.4Å; Y351-V355 WeakPolarHBondContact O-CG2 3.43Å; Y351-V355 PolarHBondContact O-N 3.5Å; Y351-V355 VanDerWaalsContact O-N 3.1Å
352	T	78.6	Confident	86.2	Confident	55 Å²	55	31.3 Å²	31.3	34%	0.337	15%	0.149	S	C	.	.	H	α-helix	trans	-50.4	-41.5	-178.9	-49.6	0	0	0	0	113.7	Q354 V355 N356	T352-Q354 VanDerWaalsContact C-N 3.32Å; T352-Q354 PolarHBondContact O-N 3.5Å; T352-V355 WeakPolarHBondContact O-CB 3.41Å; T352-V355 PolarHBondContact O-N 2.91Å; T352-N356 WeakPolarHBondContact O-CB 3.32Å; T352-N356 VanDerWaalsContact O-CG 3.23Å; T352-N356 PolarHBondContact O-N 2.86Å
353	E	78.7	Confident	86	Confident	114 Å²	114	35.1 Å²	35.1	53%	0.533	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-37.4	178.5	-64.8	-57.5	132.5	0	0	113.4	Y351 Q357	Y351-E353 VanDerWaalsContact C-N 3.26Å; Y351-E353 PolarHBondContact O-N 2.92Å; Y351-E353 VanDerWaalsContact O-N 3.14Å; E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 3.23Å; E353-Q357 VanDerWaalsContact O-N 3.17Å
354	Q	83.4	Confident	85.9	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-76.5	-37.4	176.9	-69.5	-164.5	16.1	0	0	111.9	F279 W325 V347 Y351 T352 N356 Q357 A358	F279-Q354 VanDerWaalsContact CZ-CD 3.48Å; F279-Q354 VanDerWaalsContact CZ-OE1 3.26Å; W325-Q354 HydrophobicContact CH2-CB 3.69Å; W325-Q354 HydrophobicContact CH2-CG 3.77Å; W325-Q354 HydrophobicContact CZ2-CB 4.27Å; W325-Q354 HydrophobicContact CZ2-CG 3.84Å; W325-Q354 HydrophobicContact CZ3-CB 4.36Å; V347-Q354 HydrophobicContact CG1-CB 4.3Å; Y351-Q354 PolarHBondContact O-N 3.4Å; T352-Q354 VanDerWaalsContact C-N 3.32Å; T352-Q354 PolarHBondContact O-N 3.5Å; Q354-N356 VanDerWaalsContact C-N 3.26Å; Q354-N356 PolarHBondContact O-N 2.95Å; Q354-Q357 PolarHBondContact O-N 3.08Å; Q354-A358 WeakPolarHBondContact O-CB 3.15Å; Q354-A358 PolarHBondContact O-N 3.45Å
355	V	84.8	Confident	85.9	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-56.9	-46.2	172.8	179.2	0	0	0	0	109.6	W349 Y351 T352 A358 V359	W349-V355 HydrophobicContact CE3-CG1 4.27Å; W349-V355 HydrophobicContact CE3-CG2 3.91Å; W349-V355 HydrophobicContact CZ3-CG1 4.27Å; W349-V355 WeakPolarHBondContact O-CG2 3.47Å; Y351-V355 WeakPolarHBondContact O-CG2 3.43Å; Y351-V355 PolarHBondContact O-N 3.5Å; Y351-V355 VanDerWaalsContact O-N 3.1Å; T352-V355 WeakPolarHBondContact O-CB 3.41Å; T352-V355 PolarHBondContact O-N 2.91Å; V355-A358 PolarHBondContact O-N 3.28Å; V355-V359 HydrophobicContact CG1-CG2 4.27Å; V355-V359 VanDerWaalsContact O-CB 3.29Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 WeakPolarHBondContact O-CG2 3.4Å; V355-V359 PolarHBondContact O-N 3.26Å
356	N	84.4	Confident	86.1	Confident	48 Å²	48	41.1 Å²	41.1	26%	0.257	20%	0.197	S	C	.	.	H	α-helix	trans	-62	-49.1	179.4	-70.3	-11.7	0	0	0	112.5	T352 Q354 A358 V359 E360 H486	T352-N356 WeakPolarHBondContact O-CB 3.32Å; T352-N356 VanDerWaalsContact O-CG 3.23Å; T352-N356 PolarHBondContact O-N 2.86Å; Q354-N356 VanDerWaalsContact C-N 3.26Å; Q354-N356 PolarHBondContact O-N 2.95Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-A358 PolarHBondContact O-N 2.83Å; N356-V359 PolarHBondContact O-N 3.07Å; N356-E360 WeakPolarHBondContact O-CB 3.4Å; N356-E360 PolarHBondContact O-N 3.08Å; N356-H486 PolarHBondContact OD1-CD2 2.89Å; N356-H486 PolarHBondContact OD1-NE2 3.43Å; N356-H486 VanDerWaalsContact OD1-NE2 3.15Å
357	Q	87	Confident	86.1	Confident	20 Å²	20	46.8 Å²	46.8	9%	0.093	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.3	-74.4	-179	58.2	0	0	112.6	W325 E353 Q354 E360 L361	W325-Q357 HydrophobicContact CH2-CB 4.28Å; W325-Q357 HydrophobicContact CZ2-CB 4.48Å; E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 3.23Å; E353-Q357 VanDerWaalsContact O-N 3.17Å; Q354-Q357 PolarHBondContact O-N 3.08Å; Q357-E360 PolarHBondContact O-N 2.85Å; Q357-L361 PolarHBondContact O-N 3.25Å
358	A	90	Very high	86.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-42.8	179.4	0	0	0	0	0	111.3	F343 V347 W349 Q354 V355 N356 L361 L362	F343-A358 HydrophobicContact CE1-CB 4.32Å; F343-A358 HydrophobicContact CZ-CB 3.9Å; V347-A358 HydrophobicContact CG1-CB 3.96Å; V347-A358 HydrophobicContact CG2-CB 3.87Å; W349-A358 HydrophobicContact CH2-CB 4.38Å; Q354-A358 WeakPolarHBondContact O-CB 3.15Å; Q354-A358 PolarHBondContact O-N 3.45Å; V355-A358 PolarHBondContact O-N 3.28Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-A358 PolarHBondContact O-N 2.83Å; A358-L361 PolarHBondContact O-N 3.45Å; A358-L362 WeakPolarHBondContact O-CB 3.46Å; A358-L362 VanDerWaalsContact O-CG 3.24Å; A358-L362 WeakPolarHBondContact O-CG 3.48Å; A358-L362 PolarHBondContact O-N 3.35Å
359	V	88.3	Confident	86.6	Confident	11 Å²	11	47.5 Å²	47.5	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-45	175.5	163.6	0	0	0	0	111.3	V355 N356 L361 L362 K363 A385 L489	V355-V359 HydrophobicContact CG1-CG2 4.27Å; V355-V359 VanDerWaalsContact O-CB 3.29Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 WeakPolarHBondContact O-CG2 3.4Å; V355-V359 PolarHBondContact O-N 3.26Å; N356-V359 PolarHBondContact O-N 3.07Å; V359-L361 VanDerWaalsContact C-N 3.3Å; V359-L361 PolarHBondContact O-N 3.45Å; V359-L362 PolarHBondContact O-N 2.67Å; V359-K363 WeakPolarHBondContact O-CG 3.33Å; V359-K363 PolarHBondContact O-N 2.96Å; V359-A385 HydrophobicContact CG2-CB 4.28Å; V359-L489 HydrophobicContact CB-CD1 4.38Å; V359-L489 HydrophobicContact CB-CD2 4.38Å; V359-L489 HydrophobicContact CG1-CD1 3.98Å; V359-L489 HydrophobicContact CG1-CD2 3.43Å; V359-L489 VanDerWaalsContact CG1-CD2 3.43Å; V359-L489 HydrophobicContact CG1-CG 3.86Å; V359-L489 HydrophobicContact CG2-CD1 3.63Å; V359-L489 HydrophobicContact CG2-CD2 4.07Å; V359-L489 HydrophobicContact CG2-CG 4.36Å
360	E	88	Confident	86.9	Confident	83 Å²	83	46.5 Å²	46.5	39%	0.388	24%	0.241	S	C	.	.	H	α-helix	trans	-57.4	-44.3	175.9	-171.4	-171.5	160.2	0	0	111.4	R292 N356 Q357 K363 Q364	R292-E360 IonicContact NH2-OE1 3.44Å; R292-E360 PolarHBondContact NH2-OE1 3.02Å; N356-E360 WeakPolarHBondContact O-CB 3.4Å; N356-E360 PolarHBondContact O-N 3.08Å; Q357-E360 PolarHBondContact O-N 2.85Å; E360-K363 PolarHBondContact O-N 3.35Å; E360-Q364 PolarHBondContact O-N 3.35Å
361	L	90.9	Very high	87.7	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-39.5	176.9	-177	55.6	0	0	0	112.3	R328 F329 A332 F343 Q357 A358 V359 K363 Q364 W365	R328-L361 HydrophobicContact CB-CD2 3.77Å; R328-L361 HydrophobicContact CG-CD2 3.78Å; F329-L361 HydrophobicContact CD1-CD1 3.74Å; F329-L361 HydrophobicContact CE1-CD1 3.89Å; A332-L361 HydrophobicContact CB-CD1 4.22Å; F343-L361 HydrophobicContact CE1-CD2 4.19Å; F343-L361 HydrophobicContact CE2-CD2 3.95Å; F343-L361 HydrophobicContact CZ-CB 4.4Å; F343-L361 HydrophobicContact CZ-CD2 3.73Å; F343-L361 HydrophobicContact CZ-CG 4.42Å; Q357-L361 PolarHBondContact O-N 3.25Å; A358-L361 PolarHBondContact O-N 3.45Å; V359-L361 VanDerWaalsContact C-N 3.3Å; V359-L361 PolarHBondContact O-N 3.45Å; L361-K363 VanDerWaalsContact C-N 3.28Å; L361-K363 PolarHBondContact O-N 2.92Å; L361-Q364 CarbonylContact O-C 3.46Å; L361-Q364 PolarHBondContact O-N 3.45Å; L361-W365 HydrophobicContact CD1-CE3 4.48Å; L361-W365 HydrophobicContact CD2-CE3 4.41Å; L361-W365 HydrophobicContact CD2-CZ3 3.9Å; L361-W365 HydrophobicContact CG-CE3 3.91Å; L361-W365 HydrophobicContact CG-CZ3 3.91Å; L361-W365 PolarHBondContact O-N 3.15Å
362	L	91.8	Very high	88.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-35.9	176.3	-74.4	173.3	0	0	0	111.9	L340 F343 I344 A358 V359 Q364 W365 F389 W493	L340-L362 HydrophobicContact CD1-CD2 3.61Å; F343-L362 HydrophobicContact CE1-CD2 4.32Å; F343-L362 HydrophobicContact CE1-CG 4.31Å; I344-L362 HydrophobicContact CD1-CD2 4.18Å; I344-L362 HydrophobicContact CG1-CD2 4.38Å; A358-L362 WeakPolarHBondContact O-CB 3.46Å; A358-L362 VanDerWaalsContact O-CG 3.24Å; A358-L362 WeakPolarHBondContact O-CG 3.48Å; A358-L362 PolarHBondContact O-N 3.35Å; V359-L362 PolarHBondContact O-N 2.67Å; L362-Q364 VanDerWaalsContact C-N 3.26Å; L362-Q364 PolarHBondContact O-N 2.92Å; L362-W365 HydrophobicContact CD2-CE3 4.33Å; L362-W365 WeakPolarHBondContact O-CB 3.32Å; L362-W365 PolarHBondContact O-N 3.27Å; L362-F389 HydrophobicContact CB-CD2 4.11Å; L362-F389 HydrophobicContact CB-CE2 4.26Å; L362-F389 HydrophobicContact CD2-CD1 4.05Å; L362-F389 HydrophobicContact CD2-CD2 4.44Å; L362-F389 HydrophobicContact CD2-CE1 4.01Å; L362-F389 HydrophobicContact CD2-CE2 4.39Å; L362-F389 HydrophobicContact CD2-CG 4.25Å; L362-F389 HydrophobicContact CD2-CZ 4.17Å; L362-F389 WeakPolarHBondContact O-CE2 3.16Å; L362-W493 HydrophobicContact CB-CH2 3.7Å; L362-W493 HydrophobicContact CB-CZ3 4.47Å
363	K	88.5	Confident	88.9	Confident	89 Å²	89	40.1 Å²	40.1	39%	0.387	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-34.3	173.2	-69.3	179.7	-173.6	-152	0	112.7	V359 E360 L361 E492 W493	V359-K363 WeakPolarHBondContact O-CG 3.33Å; V359-K363 PolarHBondContact O-N 2.96Å; E360-K363 PolarHBondContact O-N 3.35Å; L361-K363 VanDerWaalsContact C-N 3.28Å; L361-K363 PolarHBondContact O-N 2.92Å; K363-E492 WeakPolarHBondContact CD-OE2 3.38Å; K363-E492 WeakPolarHBondContact CE-OE2 3.48Å; K363-E492 IonicContact NZ-OE1 2.85Å; K363-E492 PolarHBondContact NZ-OE1 3.46Å; K363-E492 IonicContact NZ-OE2 2.84Å; K363-E492 PolarHBondContact NZ-OE2 3.4Å; K363-W493 HydrophobicContact CG-CH2 4.28Å; K363-W493 HydrophobicContact CG-CZ2 4.04Å
364	Q	90.6	Very high	89.6	Confident	119 Å²	119	34.7 Å²	34.7	56%	0.556	18%	0.184	S	C	*	.	H	α-helix	trans	-92.9	-1.7	179.9	-62.8	173.5	21	0	0	112.9	E360 L361 L362	E360-Q364 PolarHBondContact O-N 3.35Å; L361-Q364 CarbonylContact O-C 3.46Å; L361-Q364 PolarHBondContact O-N 3.45Å; L362-Q364 VanDerWaalsContact C-N 3.26Å; L362-Q364 PolarHBondContact O-N 2.92Å
365	W	93.1	Very high	90	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.027	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-61.3	136.6	-175.9	-154.3	-85.4	0	0	0	110.2	A332 P336 S339 L340 F343 L361 L362 F389 R393	A332-W365 HydrophobicContact CB-CD2 4.24Å; A332-W365 HydrophobicContact CB-CE3 3.94Å; A332-W365 HydrophobicContact CB-CH2 3.83Å; A332-W365 HydrophobicContact CB-CZ2 4.12Å; A332-W365 HydrophobicContact CB-CZ3 3.74Å; P336-W365 PolarHBondContact O-NE1 2.99Å; S339-W365 WeakPolarHBondContact OG-CZ2 3.25Å; L340-W365 VanDerWaalsContact CA-CZ2 3.45Å; L340-W365 HydrophobicContact CB-CZ2 3.78Å; L340-W365 HydrophobicContact CD1-CD2 3.95Å; L340-W365 HydrophobicContact CD1-CE3 4.37Å; L340-W365 HydrophobicContact CD1-CG 4.37Å; L340-W365 HydrophobicContact CD1-CH2 4.46Å; L340-W365 HydrophobicContact CD1-CZ2 4.04Å; F343-W365 HydrophobicContact CB-CH2 3.87Å; F343-W365 HydrophobicContact CB-CZ3 4.33Å; F343-W365 HydrophobicContact CD1-CE3 4.34Å; F343-W365 AromaticContact CD1-CH2 3.86Å; F343-W365 HydrophobicContact CD1-CH2 3.86Å; F343-W365 AromaticContact CD1-CZ3 3.46Å; F343-W365 HydrophobicContact CD1-CZ3 3.46Å; F343-W365 VanDerWaalsContact CD1-CZ3 3.46Å; F343-W365 AromaticContact CE1-CZ3 3.9Å; F343-W365 HydrophobicContact CE1-CZ3 3.9Å; F343-W365 AromaticContact CG-CH2 3.94Å; F343-W365 HydrophobicContact CG-CH2 3.94Å; F343-W365 AromaticContact CG-CZ3 3.89Å; F343-W365 HydrophobicContact CG-CZ3 3.89Å; L361-W365 HydrophobicContact CD1-CE3 4.48Å; L361-W365 HydrophobicContact CD2-CE3 4.41Å; L361-W365 HydrophobicContact CD2-CZ3 3.9Å; L361-W365 HydrophobicContact CG-CE3 3.91Å; L361-W365 HydrophobicContact CG-CZ3 3.91Å; L361-W365 PolarHBondContact O-N 3.15Å; L362-W365 HydrophobicContact CD2-CE3 4.33Å; L362-W365 WeakPolarHBondContact O-CB 3.32Å; L362-W365 PolarHBondContact O-N 3.27Å; W365-F389 HydrophobicContact CB-CE2 4.41Å; W365-F389 HydrophobicContact CB-CZ 4.02Å; W365-F389 HydrophobicContact CG-CZ 4.34Å; W365-R393 PolarHBondContact O-NH2 3.11Å
366	P	92.8	Very high	90.4	Very high	49 Å²	49	35.3 Å²	35.3	32%	0.318	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-55.8	153.9	176	-27.9	37.3	0	0	0	112.7	A332 P336 I368	A332-P366 WeakPolarHBondContact O-CG 3.17Å; P336-P366 HydrophobicContact CB-CB 3.97Å; P336-P366 HydrophobicContact CB-CG 4.01Å; P336-P366 HydrophobicContact CG-CB 4.34Å; P366-I368 PolarHBondContact O-N 3.01Å
367	T	89.9	Confident	90.7	Very high	124 Å²	124	33 Å²	33	76%	0.761	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-67.7	126.6	172	48.1	0	0	0	0	109.1
368	I	91.2	Very high	90.8	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.077	17%	0.172	C	C	.	.			trans	-120.1	158	177.6	60.9	177.7	0	0	0	109.4	P336 E337 L340 P366 H372 V373	P336-I368 HydrophobicContact CB-CG2 3.8Å; P336-I368 HydrophobicContact CG-CG2 4.39Å; E337-I368 HydrophobicContact CG-CB 4.14Å; E337-I368 HydrophobicContact CG-CG2 3.86Å; L340-I368 HydrophobicContact CD2-CD1 3.34Å; P366-I368 PolarHBondContact O-N 3.01Å; I368-H372 HydrophobicContact CD1-CB 3.93Å; I368-H372 HydrophobicContact CG1-CB 4.49Å; I368-V373 HydrophobicContact CD1-CG1 3.69Å; I368-V373 HydrophobicContact CG1-CG1 4.1Å
369	A	89.3	Confident	90.5	Very high	36 Å²	36	36.3 Å²	36.3	30%	0.298	19%	0.187	S	C	.	.			trans	-60.6	144.7	176.1	0	0	0	0	0	111.2	E371 H372	A369-E371 HydrophobicContact CB-CG 4.03Å; A369-E371 PolarHBondContact O-N 3.43Å; A369-E371 VanDerWaalsContact O-N 3.13Å; A369-H372 PolarHBondContact O-N 2.83Å; A369-H372 VanDerWaalsContact O-N 3.09Å
370	P	91.1	Very high	90.2	Very high	18 Å²	18	37.4 Å²	37.4	12%	0.117	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.6	-177.2	-26.4	34.4	0	0	0	114.6	H372 V373 L394 A397	P370-H372 PolarHBondContact O-N 2.6Å; P370-V373 WeakPolarHBondContact O-CG2 3.26Å; P370-V373 PolarHBondContact O-N 3.39Å; P370-L394 HydrophobicContact CB-CD1 4.17Å; P370-A397 HydrophobicContact CB-CB 3.87Å; P370-A397 HydrophobicContact CG-CB 3.8Å
371	E	90.4	Very high	90.2	Very high	34 Å²	34	33.8 Å²	33.8	16%	0.159	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.7	177.7	60	-166.1	-115.6	0	0	113.4	A369 V373 L374 H843 L846	A369-E371 HydrophobicContact CB-CG 4.03Å; A369-E371 PolarHBondContact O-N 3.43Å; A369-E371 VanDerWaalsContact O-N 3.13Å; E371-V373 VanDerWaalsContact C-N 3.34Å; E371-V373 PolarHBondContact O-N 3.11Å; E371-L374 PolarHBondContact O-N 3.45Å; E371-H843 IonicContact OE1-ND1 3.96Å; E371-L846 HydrophobicContact CB-CD1 4.03Å; E371-L846 HydrophobicContact CB-CD2 4.22Å
372	H	89.7	Confident	89.9	Confident	57 Å²	57	36.7 Å²	36.7	26%	0.264	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-76.3	-18.7	179.3	-60.9	-60.8	0	0	0	113.7	E337 I368 A369 P370	E337-H372 IonicContact OE1-NE2 3.55Å; E337-H372 IonicContact OE2-NE2 2.84Å; I368-H372 HydrophobicContact CD1-CB 3.93Å; I368-H372 HydrophobicContact CG1-CB 4.49Å; A369-H372 PolarHBondContact O-N 2.83Å; A369-H372 VanDerWaalsContact O-N 3.09Å; P370-H372 PolarHBondContact O-N 2.6Å
373	V	93.2	Very high	89.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-88.7	-9.9	175.7	-61.4	0	0	0	0	113.2	L340 I368 P370 E371 E375 L376 A390 R393	L340-V373 HydrophobicContact CD2-CG1 4Å; I368-V373 HydrophobicContact CD1-CG1 3.69Å; I368-V373 HydrophobicContact CG1-CG1 4.1Å; P370-V373 WeakPolarHBondContact O-CG2 3.26Å; P370-V373 PolarHBondContact O-N 3.39Å; E371-V373 VanDerWaalsContact C-N 3.34Å; E371-V373 PolarHBondContact O-N 3.11Å; V373-E375 PolarHBondContact O-N 3.09Å; V373-L376 VanDerWaalsContact O-CB 3.31Å; V373-L376 WeakPolarHBondContact O-CB 3.43Å; V373-L376 PolarHBondContact O-N 2.89Å; V373-A390 HydrophobicContact CB-CB 4.19Å; V373-R393 HydrophobicContact CB-CB 4.45Å; V373-R393 HydrophobicContact CG1-CB 3.74Å; V373-R393 HydrophobicContact CG1-CG 4.11Å; V373-R393 HydrophobicContact CG2-CB 4.11Å
374	L	93.3	Very high	89.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.6	-30.5	179.5	-65.3	175.4	0	0	0	112.4	E371 L376 F377 L394 Y405 L409 L846 T849 L850	E371-L374 PolarHBondContact O-N 3.45Å; L374-L376 PolarHBondContact O-N 3.46Å; L374-F377 HydrophobicContact CD2-CD2 4.35Å; L374-F377 PolarHBondContact O-N 3.48Å; L374-F377 VanDerWaalsContact O-N 3.1Å; L374-L394 HydrophobicContact CD2-CD1 4.44Å; L374-Y405 HydrophobicContact CD1-CD1 3.86Å; L374-Y405 HydrophobicContact CD1-CD2 3.8Å; L374-Y405 HydrophobicContact CD1-CE1 4.09Å; L374-Y405 HydrophobicContact CD1-CE2 4.04Å; L374-Y405 HydrophobicContact CD1-CG 3.69Å; L374-Y405 HydrophobicContact CD2-CD2 4.49Å; L374-Y405 HydrophobicContact CD2-CG 4.5Å; L374-L409 HydrophobicContact CD2-CD2 3.97Å; L374-L846 HydrophobicContact CD1-CD1 3.72Å; L374-T849 HydrophobicContact CB-CG2 3.87Å; L374-L850 HydrophobicContact CD1-CD2 4.1Å
375	E	91.1	Very high	89.2	Confident	23 Å²	23	29.2 Å²	29.2	11%	0.107	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-60	-32.6	176.6	-173	177.7	167.9	0	0	111.3	P312 A341 K342 V373 F377 T378 F381 T849	P312-E375 HydrophobicContact CB-CG 4.18Å; P312-E375 HydrophobicContact CG-CG 4.36Å; A341-E375 HydrophobicContact CB-CB 4.44Å; A341-E375 HydrophobicContact CB-CG 4.04Å; A341-E375 WeakPolarHBondContact CB-OE1 3.22Å; A341-E375 WeakPolarHBondContact CB-OE2 3.3Å; K342-E375 IonicContact NZ-OE1 3.15Å; K342-E375 PolarHBondContact NZ-OE1 3.41Å; V373-E375 PolarHBondContact O-N 3.09Å; E375-F377 PolarHBondContact O-N 3.24Å; E375-T378 WeakPolarHBondContact O-CB 3.47Å; E375-T378 VanDerWaalsContact O-CG2 3.24Å; E375-T378 WeakPolarHBondContact O-CG2 3.47Å; E375-T378 PolarHBondContact O-N 2.9Å; E375-T378 VanDerWaalsContact O-N 3.12Å; E375-T378 PolarHBondContact O-OG1 2.96Å; E375-F381 HydrophobicContact CG-CE2 3.83Å; E375-F381 HydrophobicContact CG-CZ 4.38Å; E375-F381 WeakPolarHBondContact O-CD2 3.47Å; E375-F381 WeakPolarHBondContact O-CE2 3.49Å; E375-T849 HydrophobicContact CB-CG2 4.18Å
376	L	93	Very high	89.1	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-71.8	-7.9	-179.8	-54.4	-173.5	0	0	0	113.8	L340 A341 I344 V373 L374 F381 F389 A390	L340-L376 HydrophobicContact CD2-CD1 3.9Å; L340-L376 HydrophobicContact CG-CD1 4.21Å; A341-L376 HydrophobicContact CB-CD2 4.17Å; I344-L376 HydrophobicContact CD1-CD1 3.58Å; I344-L376 HydrophobicContact CD1-CD2 3.59Å; I344-L376 HydrophobicContact CD1-CG 4.24Å; V373-L376 VanDerWaalsContact O-CB 3.31Å; V373-L376 WeakPolarHBondContact O-CB 3.43Å; V373-L376 PolarHBondContact O-N 2.89Å; L374-L376 PolarHBondContact O-N 3.46Å; L376-F381 HydrophobicContact CD2-CD1 3.75Å; L376-F381 HydrophobicContact CD2-CD2 4.38Å; L376-F381 HydrophobicContact CD2-CE1 3.68Å; L376-F381 HydrophobicContact CD2-CE2 4.37Å; L376-F381 HydrophobicContact CD2-CG 4.08Å; L376-F381 HydrophobicContact CD2-CZ 4.01Å; L376-F381 VanDerWaalsContact O-CB 3.23Å; L376-F381 WeakPolarHBondContact O-CB 3.32Å; L376-F389 HydrophobicContact CD1-CD1 4.15Å; L376-A390 HydrophobicContact CB-CB 3.74Å; L376-A390 HydrophobicContact CD1-CB 3.94Å; L376-A390 HydrophobicContact CG-CB 4.42Å
377	F	92.2	Very high	89	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-91.2	-7.5	173.5	-68.2	-59.3	0	0	0	113.3	L374 E375 R387 A390 V391 L394 L409 A412 L497 L853	L374-F377 HydrophobicContact CD2-CD2 4.35Å; L374-F377 PolarHBondContact O-N 3.48Å; L374-F377 VanDerWaalsContact O-N 3.1Å; E375-F377 PolarHBondContact O-N 3.24Å; F377-R387 VanDerWaalsContact C-NH1 3.31Å; F377-R387 PolarHBondContact O-NH1 3.1Å; F377-R387 PolarHBondContact O-NH2 2.94Å; F377-A390 HydrophobicContact CE1-CB 3.95Å; F377-A390 HydrophobicContact CE2-CB 3.94Å; F377-A390 HydrophobicContact CZ-CB 3.59Å; F377-V391 HydrophobicContact CE1-CG2 3.78Å; F377-V391 HydrophobicContact CZ-CG2 3.91Å; F377-L394 HydrophobicContact CE2-CD2 4.04Å; F377-L394 HydrophobicContact CZ-CD2 4.21Å; F377-L409 HydrophobicContact CD2-CD2 3.77Å; F377-L409 HydrophobicContact CE2-CD2 3.91Å; F377-L409 HydrophobicContact CG-CD2 4.39Å; F377-A412 HydrophobicContact CB-CB 3.81Å; F377-A412 HydrophobicContact CG-CB 4.48Å; F377-L497 HydrophobicContact CD1-CD2 3.95Å; F377-L497 HydrophobicContact CE1-CB 4.42Å; F377-L497 HydrophobicContact CE1-CD1 4.1Å; F377-L497 HydrophobicContact CE1-CD2 4.09Å; F377-L497 HydrophobicContact CE1-CG 4.44Å; F377-L497 HydrophobicContact CZ-CD1 4.18Å; F377-L853 HydrophobicContact CB-CD2 4.32Å
378	T	88	Confident	89	Confident	6 Å²	6	21.9 Å²	21.9	4%	0.037	11%	0.11	C	C	.	.	S	Bend	trans	-72.5	166.8	179.3	69.4	0	0	0	0	112.5	E375 Q380 F381 T849 S852 L853	E375-T378 WeakPolarHBondContact O-CB 3.47Å; E375-T378 VanDerWaalsContact O-CG2 3.24Å; E375-T378 WeakPolarHBondContact O-CG2 3.47Å; E375-T378 PolarHBondContact O-N 2.9Å; E375-T378 VanDerWaalsContact O-N 3.12Å; E375-T378 PolarHBondContact O-OG1 2.96Å; T378-Q380 PolarHBondContact O-N 3.03Å; T378-F381 PolarHBondContact O-N 2.83Å; T378-F381 VanDerWaalsContact O-N 3.09Å; T378-F381 WeakPolarHBondContact OG1-CD2 3.49Å; T378-T849 HydrophobicContact CG2-CG2 4.37Å; T378-S852 VanDerWaalsContact CG2-OG 3.22Å; T378-S852 WeakPolarHBondContact CG2-OG 3.48Å; T378-L853 HydrophobicContact CG2-CD2 3.82Å; T378-L853 HydrophobicContact CG2-CG 4.05Å
379	R	83.4	Confident	89.1	Confident	82 Å²	82	21.2 Å²	21.2	31%	0.309	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.8	-178.7	-173.6	179.2	177.8	-159.8	-1.9	114	E262 F381 L382 Y415	E262-R379 IonicContact OE2-NH2 2.92Å; R379-F381 VanDerWaalsContact C-N 3.26Å; R379-F381 PolarHBondContact O-N 3.19Å; R379-L382 WeakPolarHBondContact O-CD2 3.41Å; R379-L382 VanDerWaalsContact O-CG 3.29Å; R379-L382 WeakPolarHBondContact O-CG 3.48Å; R379-Y415 HydrophobicContact CB-CD1 3.91Å; R379-Y415 HydrophobicContact CB-CE1 3.83Å; R379-Y415 HydrophobicContact CB-CG 4.3Å; R379-Y415 HydrophobicContact CG-CD1 4.09Å; R379-Y415 HydrophobicContact CG-CE1 4.1Å
380	Q	82.7	Confident	89.3	Confident	34 Å²	34	19.5 Å²	19.5	16%	0.159	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.8	179.5	-57.2	-170.7	-54.9	0	0	112.8	G313 L345 T378	G313-Q380 VanDerWaalsContact N-OE1 3.14Å; G313-Q380 PolarHBondContact O-NE2 2.87Å; L345-Q380 HydrophobicContact CD2-CB 4.16Å; T378-Q380 PolarHBondContact O-N 3.03Å
381	F	88.1	Confident	89.5	Confident	7 Å²	7	18.8 Å²	18.8	3%	0.031	9%	0.088	C	C	.	.			trans	-116.8	81.4	-172.8	-60.1	-82.4	0	0	0	110.4	A341 I344 L345 E375 L376 T378 R379 R387	A341-F381 HydrophobicContact CB-CE1 4.41Å; A341-F381 HydrophobicContact CB-CZ 3.81Å; A341-F381 WeakPolarHBondContact O-CE1 3.49Å; I344-F381 HydrophobicContact CB-CD1 4.15Å; I344-F381 HydrophobicContact CB-CE1 3.91Å; I344-F381 HydrophobicContact CG2-CD1 3.43Å; I344-F381 VanDerWaalsContact CG2-CD1 3.43Å; I344-F381 HydrophobicContact CG2-CE1 3.7Å; L345-F381 HydrophobicContact CD1-CE1 4.38Å; L345-F381 HydrophobicContact CD1-CZ 3.88Å; L345-F381 HydrophobicContact CD2-CD1 4.38Å; L345-F381 HydrophobicContact CD2-CE1 3.8Å; L345-F381 HydrophobicContact CD2-CZ 3.87Å; L345-F381 HydrophobicContact CG-CE1 3.59Å; L345-F381 HydrophobicContact CG-CZ 3.6Å; E375-F381 HydrophobicContact CG-CE2 3.83Å; E375-F381 HydrophobicContact CG-CZ 4.38Å; E375-F381 WeakPolarHBondContact O-CD2 3.47Å; E375-F381 WeakPolarHBondContact O-CE2 3.49Å; L376-F381 HydrophobicContact CD2-CD1 3.75Å; L376-F381 HydrophobicContact CD2-CD2 4.38Å; L376-F381 HydrophobicContact CD2-CE1 3.68Å; L376-F381 HydrophobicContact CD2-CE2 4.37Å; L376-F381 HydrophobicContact CD2-CG 4.08Å; L376-F381 HydrophobicContact CD2-CZ 4.01Å; L376-F381 VanDerWaalsContact O-CB 3.23Å; L376-F381 WeakPolarHBondContact O-CB 3.32Å; T378-F381 PolarHBondContact O-N 2.83Å; T378-F381 VanDerWaalsContact O-N 3.09Å; T378-F381 WeakPolarHBondContact OG1-CD2 3.49Å; R379-F381 VanDerWaalsContact C-N 3.26Å; R379-F381 PolarHBondContact O-N 3.19Å; F381-R387 VanDerWaalsContact O-CD 3.31Å; F381-R387 WeakPolarHBondContact O-CD 3.48Å; F381-R387 WeakPolarHBondContact O-CG 3.4Å; F381-R387 PolarHBondContact O-NH1 3.18Å; F381-R387 VanDerWaalsContact O-NH1 3.12Å
382	L	85.3	Confident	89.6	Confident	69 Å²	69	20.7 Å²	20.7	36%	0.361	10%	0.097	S	C	.	.			trans	-97.9	-20.2	-176.2	-58	174.2	0	0	0	112.9	P261 R379 P384	P261-L382 HydrophobicContact CB-CD1 4.19Å; P261-L382 HydrophobicContact CG-CD1 3.13Å; R379-L382 WeakPolarHBondContact O-CD2 3.41Å; R379-L382 VanDerWaalsContact O-CG 3.29Å; R379-L382 WeakPolarHBondContact O-CG 3.48Å; L382-P384 WeakPolarHBondContact O-CD 3.36Å
383	H	85.4	Confident	89.7	Confident	28 Å²	28	19.8 Å²	19.8	13%	0.13	9%	0.091	C	C	.	.	S	Bend	trans	-67.4	123.1	-178.3	-170.9	-90.5	0	0	0	109.9	W349 A385 G386 R387 W485	W349-H383 HydrophobicContact CB-CB 4.49Å; W349-H383 HydrophobicContact CD2-CB 3.65Å; W349-H383 AromaticContact CD2-CD2 3.79Å; W349-H383 AromaticContact CD2-CG 3.4Å; W349-H383 AromaticContact CD2-ND1 3.67Å; W349-H383 HydrophobicContact CE3-CB 4.03Å; W349-H383 AromaticContact CE3-CD2 3.63Å; W349-H383 AromaticContact CE3-CE1 3.25Å; W349-H383 AromaticContact CE3-CG 3.29Å; W349-H383 AromaticContact CE3-ND1 3.06Å; W349-H383 AromaticContact CE3-NE2 3.61Å; W349-H383 HydrophobicContact CG-CB 3.84Å; W349-H383 AromaticContact CG-CD2 3.83Å; W349-H383 AromaticContact CG-CG 3.77Å; W349-H383 AromaticContact CZ3-CE1 3.58Å; W349-H383 AromaticContact CZ3-CG 3.94Å; W349-H383 AromaticContact CZ3-ND1 3.27Å; W349-H383 VanDerWaalsContact CZ3-ND1 3.27Å; W349-H383 WeakPolarHBondContact CZ3-ND1 3.41Å; H383-A385 WeakPolarHBondContact ND1-CB 3.49Å; H383-A385 PolarHBondContact ND1-N 2.97Å; H383-A385 PolarHBondContact O-N 3.27Å; H383-G386 PolarHBondContact O-N 3.45Å; H383-G386 VanDerWaalsContact O-N 3.08Å; H383-R387 PolarHBondContact O-N 3.2Å; H383-W485 AromaticContact CE1-CE2 3.84Å; H383-W485 AromaticContact CE1-CZ2 3.84Å; H383-W485 AromaticContact CE1-NE1 3.26Å; H383-W485 PolarHBondContact CE1-NE1 3.5Å; H383-W485 VanDerWaalsContact CE1-NE1 3.26Å; H383-W485 AromaticContact NE2-CD1 3.95Å; H383-W485 AromaticContact NE2-CE2 3.91Å; H383-W485 AromaticContact NE2-NE1 2.99Å; H383-W485 PolarHBondContact NE2-NE1 3.17Å
384	P	84.2	Confident	89.7	Confident	21 Å²	21	19.8 Å²	19.8	14%	0.136	9%	0.091	C	C	.	.	H	α-helix	trans	-73.4	-7.5	-166.2	10.6	-5.7	0	0	0	114.6	L382 R388 W485	L382-P384 WeakPolarHBondContact O-CD 3.36Å; P384-R388 WeakPolarHBondContact O-CB 3.4Å; P384-R388 WeakPolarHBondContact O-CD 3.3Å; P384-R388 WeakPolarHBondContact O-CG 3.25Å; P384-R388 PolarHBondContact O-N 3.48Å; P384-W485 HydrophobicContact CB-CH2 3.2Å; P384-W485 HydrophobicContact CB-CZ2 3.47Å; P384-W485 VanDerWaalsContact CB-CZ2 3.47Å; P384-W485 HydrophobicContact CB-CZ3 4.19Å; P384-W485 HydrophobicContact CG-CH2 3.29Å; P384-W485 HydrophobicContact CG-CZ2 3.16Å; P384-W485 HydrophobicContact CG-CZ3 4.12Å
385	A	86.2	Confident	89.6	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-67.4	-43.7	168.2	0	0	0	0	0	112.1	W349 V359 H383 F389	W349-A385 HydrophobicContact CH2-CB 4.45Å; W349-A385 HydrophobicContact CZ3-CB 4.04Å; V359-A385 HydrophobicContact CG2-CB 4.28Å; H383-A385 WeakPolarHBondContact ND1-CB 3.49Å; H383-A385 PolarHBondContact ND1-N 2.97Å; H383-A385 PolarHBondContact O-N 3.27Å; A385-F389 VanDerWaalsContact O-CB 3.28Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 3.18Å
386	G	89.7	Confident	89.7	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-39.6	176.8	0	0	0	0	0	111.7	H383 A390	H383-G386 PolarHBondContact O-N 3.45Å; H383-G386 VanDerWaalsContact O-N 3.08Å; G386-A390 WeakPolarHBondContact O-CB 3.31Å; G386-A390 PolarHBondContact O-N 3.14Å
387	R	91.2	Very high	89.7	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-45.5	178	-58.2	-167	69	91.8	-4	112.7	F377 F381 H383 F389 A390 V391 A412 E416	F377-R387 VanDerWaalsContact C-NH1 3.31Å; F377-R387 PolarHBondContact O-NH1 3.1Å; F377-R387 PolarHBondContact O-NH2 2.94Å; F381-R387 VanDerWaalsContact O-CD 3.31Å; F381-R387 WeakPolarHBondContact O-CD 3.48Å; F381-R387 WeakPolarHBondContact O-CG 3.4Å; F381-R387 PolarHBondContact O-NH1 3.18Å; F381-R387 VanDerWaalsContact O-NH1 3.12Å; H383-R387 PolarHBondContact O-N 3.2Å; R387-F389 VanDerWaalsContact C-N 3.34Å; R387-F389 PolarHBondContact O-N 3.37Å; R387-A390 WeakPolarHBondContact O-CB 2.93Å; R387-A390 PolarHBondContact O-N 3.29Å; R387-A390 VanDerWaalsContact O-N 3.13Å; R387-V391 WeakPolarHBondContact O-CG2 3.31Å; R387-V391 PolarHBondContact O-N 3.38Å; R387-A412 PolarHBondContact NH2-O 3.39Å; R387-E416 IonicContact CZ-OE1 2.81Å; R387-E416 VanDerWaalsContact CZ-OE1 3.22Å; R387-E416 IonicContact NE-OE1 2.99Å; R387-E416 PolarHBondContact NE-OE1 2.91Å; R387-E416 IonicContact NE-OE2 3.41Å; R387-E416 PolarHBondContact NE-OE2 2.79Å; R387-E416 IonicContact NH2-OE1 2.78Å; R387-E416 PolarHBondContact NH2-OE1 3.23Å
388	R	91.1	Very high	89.9	Confident	24 Å²	24	29.1 Å²	29.1	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-66.3	-35.7	177	-72	172.3	176.7	-78.6	-3.9	112.1	P384 V391 H392 D420 W493 K494	P384-R388 WeakPolarHBondContact O-CB 3.4Å; P384-R388 WeakPolarHBondContact O-CD 3.3Å; P384-R388 WeakPolarHBondContact O-CG 3.25Å; P384-R388 PolarHBondContact O-N 3.48Å; R388-V391 PolarHBondContact O-N 2.91Å; R388-H392 PolarHBondContact O-N 3.48Å; R388-D420 IonicContact NH2-OD2 2.83Å; R388-D420 PolarHBondContact NH2-OD2 3.47Å; R388-W493 HydrophobicContact CB-CB 3.83Å; R388-W493 WeakPolarHBondContact CD-O 3.03Å; R388-W493 PolarHBondContact NH1-O 3.18Å; R388-K494 PolarHBondContact NH1-O 3.36Å
389	F	92	Very high	90.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-45.8	168.7	174.7	-100.1	0	0	0	111.6	L340 L362 W365 L376 A385 R387 V391 H392 R393 W493	L340-F389 HydrophobicContact CD1-CD1 4.47Å; L340-F389 HydrophobicContact CD1-CE1 3.79Å; L340-F389 HydrophobicContact CD1-CZ 4.45Å; L340-F389 HydrophobicContact CD2-CE1 3.75Å; L340-F389 HydrophobicContact CG-CE1 4.41Å; L362-F389 HydrophobicContact CB-CD2 4.11Å; L362-F389 HydrophobicContact CB-CE2 4.26Å; L362-F389 HydrophobicContact CD2-CD1 4.05Å; L362-F389 HydrophobicContact CD2-CD2 4.44Å; L362-F389 HydrophobicContact CD2-CE1 4.01Å; L362-F389 HydrophobicContact CD2-CE2 4.39Å; L362-F389 HydrophobicContact CD2-CG 4.25Å; L362-F389 HydrophobicContact CD2-CZ 4.17Å; L362-F389 WeakPolarHBondContact O-CE2 3.16Å; W365-F389 HydrophobicContact CB-CE2 4.41Å; W365-F389 HydrophobicContact CB-CZ 4.02Å; W365-F389 HydrophobicContact CG-CZ 4.34Å; L376-F389 HydrophobicContact CD1-CD1 4.15Å; A385-F389 VanDerWaalsContact O-CB 3.28Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 3.18Å; R387-F389 VanDerWaalsContact C-N 3.34Å; R387-F389 PolarHBondContact O-N 3.37Å; F389-V391 PolarHBondContact O-N 3.27Å; F389-H392 PolarHBondContact O-N 3.12Å; F389-R393 HydrophobicContact CD1-CG 4.37Å; F389-R393 HydrophobicContact CE1-CG 3.9Å; F389-R393 HydrophobicContact CE2-CG 4.11Å; F389-R393 HydrophobicContact CZ-CG 3.79Å; F389-R393 VanDerWaalsContact CZ-NE 3.32Å; F389-R393 WeakPolarHBondContact O-CG 3.31Å; F389-R393 PolarHBondContact O-N 3.45Å; F389-W493 HydrophobicContact CB-CD2 4.46Å; F389-W493 HydrophobicContact CB-CE3 4.01Å; F389-W493 HydrophobicContact CB-CH2 4.09Å; F389-W493 HydrophobicContact CB-CZ3 3.81Å; F389-W493 AromaticContact CD2-CH2 3.69Å; F389-W493 HydrophobicContact CD2-CH2 3.69Å; F389-W493 AromaticContact CD2-CZ2 3.61Å; F389-W493 HydrophobicContact CD2-CZ2 3.61Å; F389-W493 HydrophobicContact CD2-CZ3 4.29Å; F389-W493 HydrophobicContact CE2-CZ2 4.39Å; F389-W493 HydrophobicContact CG-CH2 4.31Å
390	A	94.1	Very high	90.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-43.9	177.2	0	0	0	0	0	112	V373 L376 F377 G386 R387 H392 R393 L394	V373-A390 HydrophobicContact CB-CB 4.19Å; L376-A390 HydrophobicContact CB-CB 3.74Å; L376-A390 HydrophobicContact CD1-CB 3.94Å; L376-A390 HydrophobicContact CG-CB 4.42Å; F377-A390 HydrophobicContact CE1-CB 3.95Å; F377-A390 HydrophobicContact CE2-CB 3.94Å; F377-A390 HydrophobicContact CZ-CB 3.59Å; G386-A390 WeakPolarHBondContact O-CB 3.31Å; G386-A390 PolarHBondContact O-N 3.14Å; R387-A390 WeakPolarHBondContact O-CB 2.93Å; R387-A390 PolarHBondContact O-N 3.29Å; R387-A390 VanDerWaalsContact O-N 3.13Å; A390-H392 VanDerWaalsContact C-N 3.35Å; A390-H392 PolarHBondContact O-N 2.91Å; A390-R393 PolarHBondContact O-N 3.35Å; A390-L394 WeakPolarHBondContact O-CB 3.08Å; A390-L394 PolarHBondContact O-N 3.36Å
391	V	94.4	Very high	91.3	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-46.4	174.1	174.1	0	0	0	0	111	F377 R387 R388 F389 R393 L394 E395 E495 L497 F500	F377-V391 HydrophobicContact CE1-CG2 3.78Å; F377-V391 HydrophobicContact CZ-CG2 3.91Å; R387-V391 WeakPolarHBondContact O-CG2 3.31Å; R387-V391 PolarHBondContact O-N 3.38Å; R388-V391 PolarHBondContact O-N 2.91Å; F389-V391 PolarHBondContact O-N 3.27Å; V391-R393 VanDerWaalsContact C-N 3.31Å; V391-R393 PolarHBondContact O-N 2.95Å; V391-L394 WeakPolarHBondContact O-CB 3.3Å; V391-L394 PolarHBondContact O-N 3.42Å; V391-L394 VanDerWaalsContact O-N 3.15Å; V391-E395 PolarHBondContact O-N 2.98Å; V391-E495 HydrophobicContact CG1-CB 4.49Å; V391-L497 HydrophobicContact CG2-CB 4.04Å; V391-L497 HydrophobicContact CG2-CD1 4.39Å; V391-F500 HydrophobicContact CG1-CB 3.64Å; V391-F500 HydrophobicContact CG1-CD2 4.12Å; V391-F500 HydrophobicContact CG1-CG 3.9Å
392	H	92.6	Very high	91.6	Very high	75 Å²	75	31.6 Å²	31.6	35%	0.347	17%	0.171	S	C	.	.	H	α-helix	trans	-61.5	-37.2	178.3	179.5	51.4	0	0	0	112.8	R388 F389 A390 E395 W493	R388-H392 PolarHBondContact O-N 3.48Å; F389-H392 PolarHBondContact O-N 3.12Å; A390-H392 VanDerWaalsContact C-N 3.35Å; A390-H392 PolarHBondContact O-N 2.91Å; H392-E395 IonicContact CE1-OE2 3.82Å; H392-E395 IonicContact CG-OE2 3.25Å; H392-E395 IonicContact ND1-OE2 2.83Å; H392-E395 PolarHBondContact ND1-OE2 2.89Å; H392-E395 WeakPolarHBondContact O-CB 3.39Å; H392-E395 WeakPolarHBondContact O-CG 3.45Å; H392-E395 PolarHBondContact O-N 3.19Å; H392-W493 HydrophobicContact CB-CG 4.38Å; H392-W493 AromaticContact CD2-CD1 3.76Å; H392-W493 AromaticContact CD2-NE1 3.43Å; H392-W493 PolarHBondContact CD2-NE1 3.35Å; H392-W493 AromaticContact CG-CD1 3.73Å; H392-W493 AromaticContact CG-NE1 3.89Å
393	R	92.6	Very high	92.1	Very high	38 Å²	38	29.3 Å²	29.3	14%	0.143	16%	0.159	C	C	.	.	H	α-helix	trans	-73.2	-32.9	174.4	-66.4	-58.3	-175.4	-171.7	4	113	W365 V373 F389 A390 V391 E395 A396	W365-R393 PolarHBondContact O-NH2 3.11Å; V373-R393 HydrophobicContact CB-CB 4.45Å; V373-R393 HydrophobicContact CG1-CB 3.74Å; V373-R393 HydrophobicContact CG1-CG 4.11Å; V373-R393 HydrophobicContact CG2-CB 4.11Å; F389-R393 HydrophobicContact CD1-CG 4.37Å; F389-R393 HydrophobicContact CE1-CG 3.9Å; F389-R393 HydrophobicContact CE2-CG 4.11Å; F389-R393 HydrophobicContact CZ-CG 3.79Å; F389-R393 VanDerWaalsContact CZ-NE 3.32Å; F389-R393 WeakPolarHBondContact O-CG 3.31Å; F389-R393 PolarHBondContact O-N 3.45Å; A390-R393 PolarHBondContact O-N 3.35Å; V391-R393 VanDerWaalsContact C-N 3.31Å; V391-R393 PolarHBondContact O-N 2.95Å; R393-E395 PolarHBondContact O-N 3.4Å; R393-A396 PolarHBondContact O-N 2.93Å
394	L	93.8	Very high	92.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-18.7	175.7	-167.7	64.2	0	0	0	112.4	P370 L374 F377 A390 V391 A396 A397 L402 L409 L497 F500	P370-L394 HydrophobicContact CB-CD1 4.17Å; L374-L394 HydrophobicContact CD2-CD1 4.44Å; F377-L394 HydrophobicContact CE2-CD2 4.04Å; F377-L394 HydrophobicContact CZ-CD2 4.21Å; A390-L394 WeakPolarHBondContact O-CB 3.08Å; A390-L394 PolarHBondContact O-N 3.36Å; V391-L394 WeakPolarHBondContact O-CB 3.3Å; V391-L394 PolarHBondContact O-N 3.42Å; V391-L394 VanDerWaalsContact O-N 3.15Å; L394-A396 PolarHBondContact O-N 3.35Å; L394-A397 HydrophobicContact CD1-CB 4.17Å; L394-A397 VanDerWaalsContact O-CB 3.27Å; L394-A397 WeakPolarHBondContact O-CB 3.42Å; L394-A397 PolarHBondContact O-N 3.42Å; L394-L402 HydrophobicContact CD1-CD1 4.49Å; L394-L402 HydrophobicContact CD2-CD1 4.26Å; L394-L402 HydrophobicContact CG-CD1 4.4Å; L394-L409 HydrophobicContact CD2-CD1 3.82Å; L394-L409 HydrophobicContact CD2-CD2 3.93Å; L394-L497 HydrophobicContact CD2-CD1 4.42Å; L394-F500 HydrophobicContact CB-CE1 4.48Å; L394-F500 HydrophobicContact CB-CZ 4.29Å; L394-F500 HydrophobicContact CD2-CD1 4.14Å; L394-F500 HydrophobicContact CD2-CE1 3.49Å; L394-F500 VanDerWaalsContact CD2-CE1 3.49Å; L394-F500 HydrophobicContact CD2-CZ 4.08Å; L394-F500 HydrophobicContact CG-CE1 3.84Å; L394-F500 HydrophobicContact CG-CZ 3.89Å
395	E	91.6	Very high	93.1	Very high	82 Å²	82	27.8 Å²	27.8	38%	0.383	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	173.1	-60.7	-169.8	117.4	0	0	113.5	V391 H392 R393 A397 F500 R503	V391-E395 PolarHBondContact O-N 2.98Å; H392-E395 IonicContact CE1-OE2 3.82Å; H392-E395 IonicContact CG-OE2 3.25Å; H392-E395 IonicContact ND1-OE2 2.83Å; H392-E395 PolarHBondContact ND1-OE2 2.89Å; H392-E395 WeakPolarHBondContact O-CB 3.39Å; H392-E395 WeakPolarHBondContact O-CG 3.45Å; H392-E395 PolarHBondContact O-N 3.19Å; R393-E395 PolarHBondContact O-N 3.4Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.45Å; E395-F500 HydrophobicContact CG-CD2 4.29Å; E395-F500 HydrophobicContact CG-CE2 3.96Å; E395-R503 IonicContact OE1-CZ 2.62Å; E395-R503 IonicContact OE1-NH2 3.94Å; E395-R503 PolarHBondContact OE1-NH2 3.34Å
396	A	92.7	Very high	93.6	Very high	82 Å²	82	27.8 Å²	27.8	68%	0.678	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.8	177	0	0	0	0	0	113.4	R393 L394	R393-A396 PolarHBondContact O-N 2.93Å; L394-A396 PolarHBondContact O-N 3.35Å
397	A	93.8	Very high	93.8	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	15%	0.149	C	C	.	.	S	Bend	trans	-69.1	132.7	178.9	0	0	0	0	0	111.4	P370 L394 E395 R504	P370-A397 HydrophobicContact CB-CB 3.87Å; P370-A397 HydrophobicContact CG-CB 3.8Å; L394-A397 HydrophobicContact CD1-CB 4.17Å; L394-A397 VanDerWaalsContact O-CB 3.27Å; L394-A397 WeakPolarHBondContact O-CB 3.42Å; L394-A397 PolarHBondContact O-N 3.42Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.45Å; A397-R504 PolarHBondContact O-NH2 3.3Å; A397-R504 VanDerWaalsContact O-NH2 3.08Å
398	S	95.2	Very high	94	Very high	53 Å²	53	27.7 Å²	27.7	37%	0.371	15%	0.149	S	C	.	.			trans	-62.4	160.7	170.6	63.6	0	0	0	0	111.4	E400 E401 L402	S398-E400 VanDerWaalsContact C-N 3.26Å; S398-E400 PolarHBondContact O-N 3.12Å; S398-E401 PolarHBondContact N-OE2 3.28Å; S398-E401 PolarHBondContact O-N 3.4Å; S398-E401 WeakPolarHBondContact OG-CB 3.33Å; S398-E401 VanDerWaalsContact OG-CG 3.23Å; S398-E401 WeakPolarHBondContact OG-CG 3.15Å; S398-E401 PolarHBondContact OG-N 3.35Å; S398-E401 PolarHBondContact OG-OE2 3.36Å; S398-L402 WeakPolarHBondContact O-CB 3.28Å; S398-L402 PolarHBondContact O-N 2.96Å
399	D	95.6	Very high	94.2	Very high	43 Å²	43	26.6 Å²	26.6	23%	0.23	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-38.2	178.1	-68.2	-17.1	0	0	0	111.9	L402 I403 R504 N508 I511	D399-L402 PolarHBondContact O-N 3.19Å; D399-I403 VanDerWaalsContact O-CG1 3.28Å; D399-I403 WeakPolarHBondContact O-CG1 3.27Å; D399-I403 PolarHBondContact O-N 3.16Å; D399-R504 IonicContact OD1-CZ 3.21Å; D399-R504 IonicContact OD1-NH1 3.1Å; D399-R504 PolarHBondContact OD1-NH1 2.85Å; D399-R504 IonicContact OD1-NH2 3.74Å; D399-R504 PolarHBondContact OD1-NH2 3.17Å; D399-N508 WeakPolarHBondContact CB-ND2 3.4Å; D399-N508 VanDerWaalsContact CG-ND2 3.35Å; D399-N508 PolarHBondContact OD2-ND2 2.84Å; D399-I511 HydrophobicContact CB-CD1 3.94Å
400	E	93.6	Very high	94.4	Very high	93 Å²	93	26.6 Å²	26.6	44%	0.435	15%	0.145	S	C	.	.	H	α-helix	trans	-66.2	-45.6	177.6	-58.2	-53.6	131.8	0	0	111.8	S398 L402 I403 L404 R510	S398-E400 VanDerWaalsContact C-N 3.26Å; S398-E400 PolarHBondContact O-N 3.12Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 2.85Å; E400-I403 PolarHBondContact O-N 2.8Å; E400-L404 PolarHBondContact O-N 3.17Å; E400-R510 IonicContact OE1-CZ 3.61Å; E400-R510 IonicContact OE1-NH1 3.73Å; E400-R510 PolarHBondContact OE1-NH1 2.6Å; E400-R510 IonicContact OE1-NH2 3.5Å; E400-R510 IonicContact OE2-CZ 3.44Å; E400-R510 VanDerWaalsContact OE2-CZ 3.25Å; E400-R510 IonicContact OE2-NH1 2.8Å; E400-R510 PolarHBondContact OE2-NH1 2.72Å; E400-R510 IonicContact OE2-NH2 3.61Å; E400-R510 PolarHBondContact OE2-NH2 3.42Å
401	E	93.3	Very high	94.4	Very high	45 Å²	45	26.6 Å²	26.6	21%	0.21	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-37.7	176.1	-73.2	170.3	143.3	0	0	111.8	S398 I403 L404 Y405 K692	S398-E401 PolarHBondContact N-OE2 3.28Å; S398-E401 PolarHBondContact O-N 3.4Å; S398-E401 WeakPolarHBondContact OG-CB 3.33Å; S398-E401 VanDerWaalsContact OG-CG 3.23Å; S398-E401 WeakPolarHBondContact OG-CG 3.15Å; S398-E401 PolarHBondContact OG-N 3.35Å; S398-E401 PolarHBondContact OG-OE2 3.36Å; E401-I403 VanDerWaalsContact C-N 3.33Å; E401-I403 PolarHBondContact O-N 3.16Å; E401-L404 WeakPolarHBondContact O-CB 3.47Å; E401-L404 PolarHBondContact O-N 2.84Å; E401-Y405 WeakPolarHBondContact O-CD2 3.36Å; E401-Y405 WeakPolarHBondContact O-CE2 3.5Å; E401-K692 IonicContact OE1-NZ 2.76Å; E401-K692 PolarHBondContact OE1-NZ 3.38Å
402	L	95.6	Very high	94.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-39	177.3	-175.2	59.8	0	0	0	111.5	L394 S398 D399 E400 L404 Y405 L406 L409 F500 R504 I511	L394-L402 HydrophobicContact CD1-CD1 4.49Å; L394-L402 HydrophobicContact CD2-CD1 4.26Å; L394-L402 HydrophobicContact CG-CD1 4.4Å; S398-L402 WeakPolarHBondContact O-CB 3.28Å; S398-L402 PolarHBondContact O-N 2.96Å; D399-L402 PolarHBondContact O-N 3.19Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 2.85Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L404 PolarHBondContact O-N 3.02Å; L402-Y405 PolarHBondContact O-N 3.48Å; L402-L406 WeakPolarHBondContact O-CA 3.45Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 PolarHBondContact O-N 3.43Å; L402-L409 HydrophobicContact CD1-CD1 3.34Å; L402-F500 HydrophobicContact CD1-CE1 4.08Å; L402-F500 HydrophobicContact CD2-CE1 4.14Å; L402-F500 HydrophobicContact CD2-CZ 4.24Å; L402-R504 HydrophobicContact CD2-CB 3.97Å; L402-R504 HydrophobicContact CD2-CG 3.93Å; L402-I511 HydrophobicContact CD2-CD1 3.91Å
403	I	95.7	Very high	94.4	Very high	21 Å²	21	22.9 Å²	22.9	11%	0.108	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-39.4	176	-71.6	165.9	0	0	0	111.1	D399 E400 E401 Y405 L406 R510 I511 Y514	D399-I403 VanDerWaalsContact O-CG1 3.28Å; D399-I403 WeakPolarHBondContact O-CG1 3.27Å; D399-I403 PolarHBondContact O-N 3.16Å; E400-I403 PolarHBondContact O-N 2.8Å; E401-I403 VanDerWaalsContact C-N 3.33Å; E401-I403 PolarHBondContact O-N 3.16Å; I403-Y405 PolarHBondContact O-N 2.92Å; I403-L406 WeakPolarHBondContact O-CB 3.31Å; I403-L406 PolarHBondContact O-N 3.24Å; I403-R510 HydrophobicContact CD1-CB 3.8Å; I403-I511 HydrophobicContact CD1-CG1 4.2Å; I403-I511 HydrophobicContact CG1-CG1 3.91Å; I403-Y514 HydrophobicContact CG2-CD2 4.08Å; I403-Y514 HydrophobicContact CG2-CE2 4.07Å
404	L	95	Very high	94.2	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-26.5	178.5	-66.2	173.8	0	0	0	113.6	E400 E401 L402 Q681 E684 L685 V688	E400-L404 PolarHBondContact O-N 3.17Å; E401-L404 WeakPolarHBondContact O-CB 3.47Å; E401-L404 PolarHBondContact O-N 2.84Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L404 PolarHBondContact O-N 3.02Å; L404-Q681 WeakPolarHBondContact O-CG 3.24Å; L404-Q681 PolarHBondContact O-NE2 2.87Å; L404-E684 HydrophobicContact CD2-CB 4.39Å; L404-E684 HydrophobicContact CD2-CG 3.8Å; L404-L685 HydrophobicContact CD1-CD1 4.17Å; L404-V688 HydrophobicContact CD1-CB 4.31Å; L404-V688 HydrophobicContact CD1-CG1 4.13Å; L404-V688 HydrophobicContact CD1-CG2 4.12Å
405	Y	94.7	Very high	94	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-113.9	1.5	-179.4	-45.4	-53.6	0	0	0	113.3	L374 E401 L402 I403 Y407 Q408 L409 L685 L846 L850	L374-Y405 HydrophobicContact CD1-CD1 3.86Å; L374-Y405 HydrophobicContact CD1-CD2 3.8Å; L374-Y405 HydrophobicContact CD1-CE1 4.09Å; L374-Y405 HydrophobicContact CD1-CE2 4.04Å; L374-Y405 HydrophobicContact CD1-CG 3.69Å; L374-Y405 HydrophobicContact CD2-CD2 4.49Å; L374-Y405 HydrophobicContact CD2-CG 4.5Å; E401-Y405 WeakPolarHBondContact O-CD2 3.36Å; E401-Y405 WeakPolarHBondContact O-CE2 3.5Å; L402-Y405 PolarHBondContact O-N 3.48Å; I403-Y405 PolarHBondContact O-N 2.92Å; Y405-Y407 VanDerWaalsContact C-N 3.32Å; Y405-Y407 PolarHBondContact O-N 2.66Å; Y405-Q408 PolarHBondContact O-N 3.06Å; Y405-Q408 VanDerWaalsContact O-N 3.11Å; Y405-Q408 PolarHBondContact O-OE1 2.67Å; Y405-L409 WeakPolarHBondContact O-CG 3.36Å; Y405-L409 PolarHBondContact O-N 2.92Å; Y405-L685 HydrophobicContact CE1-CD1 3.7Å; Y405-L685 HydrophobicContact CE1-CD2 3.87Å; Y405-L685 HydrophobicContact CE1-CG 4.43Å; Y405-L846 HydrophobicContact CE1-CD1 4.1Å; Y405-L846 HydrophobicContact CE1-CD2 4.36Å; Y405-L850 HydrophobicContact CD1-CD1 3.91Å; Y405-L850 HydrophobicContact CD1-CD2 3.67Å; Y405-L850 HydrophobicContact CD1-CG 4.42Å; Y405-L850 HydrophobicContact CE1-CD1 4Å; Y405-L850 HydrophobicContact CE1-CD2 4.43Å; Y405-L850 HydrophobicContact CG-CD2 4.36Å
406	L	96.7	Very high	93.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-40.8	-167.5	-178.2	60.2	0	0	0	112.3	L402 I403 L409 V410 L501 I511 L515 F518	L402-L406 WeakPolarHBondContact O-CA 3.45Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 PolarHBondContact O-N 3.43Å; I403-L406 WeakPolarHBondContact O-CB 3.31Å; I403-L406 PolarHBondContact O-N 3.24Å; L406-L409 PolarHBondContact O-N 3.06Å; L406-V410 WeakPolarHBondContact O-CG2 3.35Å; L406-V410 PolarHBondContact O-N 3.31Å; L406-L501 HydrophobicContact CD1-CD2 3.81Å; L406-I511 HydrophobicContact CD2-CG2 4.46Å; L406-L515 HydrophobicContact CD1-CD1 4.36Å; L406-L515 HydrophobicContact CD2-CB 4.4Å; L406-F518 HydrophobicContact CB-CE2 4.18Å; L406-F518 HydrophobicContact CD2-CD2 4.31Å; L406-F518 HydrophobicContact CD2-CE2 4.08Å; L406-F518 HydrophobicContact CG-CD2 4.06Å; L406-F518 HydrophobicContact CG-CE2 4Å
407	Y	95.1	Very high	93.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-43.5	179	-171	-135.1	0	0	0	111.4	Y405 L409 V410 Q411 F518 E522 M854	Y405-Y407 VanDerWaalsContact C-N 3.32Å; Y405-Y407 PolarHBondContact O-N 2.66Å; Y407-L409 VanDerWaalsContact C-N 3.33Å; Y407-L409 PolarHBondContact O-N 2.99Å; Y407-V410 WeakPolarHBondContact O-CB 3.38Å; Y407-V410 PolarHBondContact O-N 2.92Å; Y407-V410 VanDerWaalsContact O-N 3.15Å; Y407-Q411 VanDerWaalsContact CZ-NE2 3.3Å; Y407-Q411 WeakPolarHBondContact O-CG 3.43Å; Y407-Q411 PolarHBondContact O-N 3.23Å; Y407-Q411 PolarHBondContact OH-NE2 3.03Å; Y407-F518 HydrophobicContact CD2-CB 4.02Å; Y407-F518 AromaticContact CD2-CD1 3.87Å; Y407-F518 HydrophobicContact CD2-CD1 3.87Å; Y407-F518 AromaticContact CD2-CD2 3.96Å; Y407-F518 HydrophobicContact CD2-CD2 3.96Å; Y407-F518 HydrophobicContact CD2-CE1 4.34Å; Y407-F518 HydrophobicContact CD2-CE2 4.4Å; Y407-F518 AromaticContact CD2-CG 3.67Å; Y407-F518 HydrophobicContact CD2-CG 3.67Å; Y407-F518 HydrophobicContact CE2-CB 4.43Å; Y407-F518 HydrophobicContact CE2-CD1 4.39Å; Y407-F518 HydrophobicContact CE2-CG 4.39Å; Y407-F518 HydrophobicContact CG-CD2 4.46Å; Y407-F518 HydrophobicContact CG-CE2 4.49Å; Y407-E522 PolarHBondContact OH-OE1 3.43Å; Y407-M854 HydrophobicContact CD1-CE 3.81Å; Y407-M854 HydrophobicContact CD1-SD 4.06Å; Y407-M854 HydrophobicContact CE1-CE 3.27Å; Y407-M854 HydrophobicContact CE1-SD 4.1Å
408	Q	94.7	Very high	93.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-36	176.8	-69.4	72.2	23.3	0	0	112	Y405 V410 Q411 A412 L850 L853 M854	Y405-Q408 PolarHBondContact O-N 3.06Å; Y405-Q408 VanDerWaalsContact O-N 3.11Å; Y405-Q408 PolarHBondContact O-OE1 2.67Å; Q408-V410 VanDerWaalsContact C-N 3.35Å; Q408-Q411 CarbonylContact O-C 3.59Å; Q408-Q411 PolarHBondContact O-N 2.93Å; Q408-A412 PolarHBondContact O-N 2.85Å; Q408-L850 HydrophobicContact CB-CD2 4.04Å; Q408-L850 HydrophobicContact CG-CB 4.16Å; Q408-L850 HydrophobicContact CG-CD2 3.77Å; Q408-L853 HydrophobicContact CB-CB 4.1Å; Q408-L853 HydrophobicContact CB-CD1 3.83Å; Q408-L853 HydrophobicContact CG-CB 4.33Å; Q408-M854 HydrophobicContact CG-CG 4.23Å; Q408-M854 HydrophobicContact CG-SD 4.04Å
409	L	96.6	Very high	92.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-36.1	173.2	-66.9	170.8	0	0	0	112	L374 F377 L394 L402 Y405 L406 Y407 Q411 A412 L497 L501	L374-L409 HydrophobicContact CD2-CD2 3.97Å; F377-L409 HydrophobicContact CD2-CD2 3.77Å; F377-L409 HydrophobicContact CE2-CD2 3.91Å; F377-L409 HydrophobicContact CG-CD2 4.39Å; L394-L409 HydrophobicContact CD2-CD1 3.82Å; L394-L409 HydrophobicContact CD2-CD2 3.93Å; L402-L409 HydrophobicContact CD1-CD1 3.34Å; Y405-L409 WeakPolarHBondContact O-CG 3.36Å; Y405-L409 PolarHBondContact O-N 2.92Å; L406-L409 PolarHBondContact O-N 3.06Å; Y407-L409 VanDerWaalsContact C-N 3.33Å; Y407-L409 PolarHBondContact O-N 2.99Å; L409-Q411 VanDerWaalsContact C-N 3.33Å; L409-A412 WeakPolarHBondContact O-CB 3.34Å; L409-A412 PolarHBondContact O-N 3.16Å; L409-L497 HydrophobicContact CD2-CD1 4.2Å; L409-L497 WeakPolarHBondContact O-CD2 3.32Å; L409-L501 HydrophobicContact CB-CD1 4.35Å; L409-L501 HydrophobicContact CB-CD2 4.3Å; L409-L501 HydrophobicContact CD1-CD2 4.27Å
410	V	95.8	Very high	91.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-38.9	170.4	172.1	0	0	0	0	110.9	L406 Y407 Q408 A412 L413 L515 F518 L519 Y547	L406-V410 WeakPolarHBondContact O-CG2 3.35Å; L406-V410 PolarHBondContact O-N 3.31Å; Y407-V410 WeakPolarHBondContact O-CB 3.38Å; Y407-V410 PolarHBondContact O-N 2.92Å; Y407-V410 VanDerWaalsContact O-N 3.15Å; Q408-V410 VanDerWaalsContact C-N 3.35Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-L413 WeakPolarHBondContact O-CB 3.36Å; V410-L413 WeakPolarHBondContact O-CG 3.26Å; V410-L413 PolarHBondContact O-N 2.98Å; V410-L515 HydrophobicContact CG2-CD1 3.59Å; V410-F518 HydrophobicContact CB-CB 4.42Å; V410-F518 HydrophobicContact CG1-CB 4.2Å; V410-F518 HydrophobicContact CG2-CB 4.1Å; V410-F518 HydrophobicContact CG2-CD2 4.39Å; V410-L519 HydrophobicContact CG1-CD2 4.08Å; V410-Y547 HydrophobicContact CG1-CE1 3.86Å; V410-Y547 WeakPolarHBondContact O-CE1 3.34Å; V410-Y547 PolarHBondContact O-OH 3.35Å
411	Q	93.2	Very high	91.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69	-32	174.9	-58.5	-50.3	-31.6	0	0	113	Y407 Q408 L409 L413 R414 E522 Y547 M854 T857	Y407-Q411 VanDerWaalsContact CZ-NE2 3.3Å; Y407-Q411 WeakPolarHBondContact O-CG 3.43Å; Y407-Q411 PolarHBondContact O-N 3.23Å; Y407-Q411 PolarHBondContact OH-NE2 3.03Å; Q408-Q411 CarbonylContact O-C 3.59Å; Q408-Q411 PolarHBondContact O-N 2.93Å; L409-Q411 VanDerWaalsContact C-N 3.33Å; Q411-L413 PolarHBondContact O-N 2.69Å; Q411-L413 VanDerWaalsContact O-N 3.17Å; Q411-R414 WeakPolarHBondContact O-CB 3.18Å; Q411-R414 VanDerWaalsContact O-CG 3.3Å; Q411-R414 WeakPolarHBondContact O-CG 3.43Å; Q411-R414 PolarHBondContact O-N 2.88Å; Q411-R414 VanDerWaalsContact O-N 3.13Å; Q411-E522 PolarHBondContact NE2-OE1 2.97Å; Q411-Y547 PolarHBondContact OE1-OH 2.75Å; Q411-M854 HydrophobicContact CG-CE 4.34Å; Q411-M854 HydrophobicContact CG-SD 3.78Å; Q411-T857 HydrophobicContact CB-CG2 4.25Å; Q411-T857 VanDerWaalsContact CD-CG2 3.49Å; Q411-T857 HydrophobicContact CG-CG2 3.6Å
412	A	93.5	Very high	91.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-20.3	176.3	0	0	0	0	0	113.9	F377 R387 Q408 L409 V410 R414 Y415 L497 L853	F377-A412 HydrophobicContact CB-CB 3.81Å; F377-A412 HydrophobicContact CG-CB 4.48Å; R387-A412 PolarHBondContact NH2-O 3.39Å; Q408-A412 PolarHBondContact O-N 2.85Å; L409-A412 WeakPolarHBondContact O-CB 3.34Å; L409-A412 PolarHBondContact O-N 3.16Å; V410-A412 VanDerWaalsContact C-N 3.34Å; A412-R414 PolarHBondContact O-N 2.96Å; A412-R414 VanDerWaalsContact O-N 3.16Å; A412-Y415 PolarHBondContact O-N 2.8Å; A412-L497 HydrophobicContact CB-CD2 3.79Å; A412-L853 HydrophobicContact CB-CD2 4.14Å
413	L	93.4	Very high	90.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.8	173.9	-62.9	178.2	0	0	0	112.9	V410 Q411 Y415 E416 W418 L497 A498 L519 M546 Y547 V550	V410-L413 WeakPolarHBondContact O-CB 3.36Å; V410-L413 WeakPolarHBondContact O-CG 3.26Å; V410-L413 PolarHBondContact O-N 2.98Å; Q411-L413 PolarHBondContact O-N 2.69Å; Q411-L413 VanDerWaalsContact O-N 3.17Å; L413-Y415 PolarHBondContact O-N 3.46Å; L413-E416 HydrophobicContact CD2-CG 4.29Å; L413-E416 PolarHBondContact O-N 2.93Å; L413-W418 PolarHBondContact O-NE1 3.35Å; L413-L497 HydrophobicContact CD2-CB 4.22Å; L413-L497 HydrophobicContact CD2-CD2 4.07Å; L413-L497 HydrophobicContact CD2-CG 4.01Å; L413-A498 HydrophobicContact CD2-CB 3.85Å; L413-L519 HydrophobicContact CD1-CD2 4.1Å; L413-M546 HydrophobicContact CB-CE 3.89Å; L413-M546 HydrophobicContact CB-SD 4.03Å; L413-Y547 HydrophobicContact CB-CE1 4.27Å; L413-Y547 HydrophobicContact CD1-CE1 4.25Å; L413-V550 HydrophobicContact CD1-CG1 4.22Å; L413-V550 HydrophobicContact CD1-CG2 4.48Å
414	R	89.4	Confident	90.2	Very high	30 Å²	30	23.2 Å²	23.2	11%	0.113	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27.5	173.5	-62.8	174	-173.5	-104.7	-9.7	112.8	Q411 A412 W418 E522 N539 T543 Y547 N856	Q411-R414 WeakPolarHBondContact O-CB 3.18Å; Q411-R414 VanDerWaalsContact O-CG 3.3Å; Q411-R414 WeakPolarHBondContact O-CG 3.43Å; Q411-R414 PolarHBondContact O-N 2.88Å; Q411-R414 VanDerWaalsContact O-N 3.13Å; A412-R414 PolarHBondContact O-N 2.96Å; A412-R414 VanDerWaalsContact O-N 3.16Å; R414-W418 PolarHBondContact O-NE1 3.05Å; R414-E522 IonicContact NH2-OE2 3.93Å; R414-E522 PolarHBondContact NH2-OE2 2.87Å; R414-N539 PolarHBondContact NH1-OD1 3.18Å; R414-N539 PolarHBondContact NH2-ND2 3.19Å; R414-N539 PolarHBondContact NH2-OD1 2.93Å; R414-T543 HydrophobicContact CG-CG2 4.06Å; R414-Y547 HydrophobicContact CG-CE2 4.23Å; R414-Y547 VanDerWaalsContact CG-OH 3.31Å; R414-Y547 WeakPolarHBondContact CG-OH 3.22Å; R414-Y547 PolarHBondContact NE-OH 2.85Å; R414-Y547 VanDerWaalsContact NE-OH 3.16Å; R414-N856 PolarHBondContact NH1-O 3.28Å
415	Y	88.4	Confident	89.3	Confident	26 Å²	26	32.4 Å²	32.4	10%	0.102	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-102.6	2.2	-176.3	-47.2	-54.2	0	0	0	113.1	R379 A412 L413 L853 N856	R379-Y415 HydrophobicContact CB-CD1 3.91Å; R379-Y415 HydrophobicContact CB-CE1 3.83Å; R379-Y415 HydrophobicContact CB-CG 4.3Å; R379-Y415 HydrophobicContact CG-CD1 4.09Å; R379-Y415 HydrophobicContact CG-CE1 4.1Å; A412-Y415 PolarHBondContact O-N 2.8Å; L413-Y415 PolarHBondContact O-N 3.46Å; Y415-L853 HydrophobicContact CE2-CD2 4.32Å; Y415-N856 PolarHBondContact OH-ND2 3.13Å
416	E	87.2	Confident	87.9	Confident	20 Å²	20	34.4 Å²	34.4	9%	0.093	16%	0.164	C	C	.	.	S	Bend	trans	-75.5	162.7	173.8	-76.6	-62.3	156.3	0	0	112.3	R387 L413 W418 I421 L497	R387-E416 IonicContact CZ-OE1 2.81Å; R387-E416 VanDerWaalsContact CZ-OE1 3.22Å; R387-E416 IonicContact NE-OE1 2.99Å; R387-E416 PolarHBondContact NE-OE1 2.91Å; R387-E416 IonicContact NE-OE2 3.41Å; R387-E416 PolarHBondContact NE-OE2 2.79Å; R387-E416 IonicContact NH2-OE1 2.78Å; R387-E416 PolarHBondContact NH2-OE1 3.23Å; L413-E416 HydrophobicContact CD2-CG 4.29Å; L413-E416 PolarHBondContact O-N 2.93Å; E416-W418 PolarHBondContact O-N 3.4Å; E416-W418 VanDerWaalsContact O-N 3.09Å; E416-I421 HydrophobicContact CB-CD1 3.58Å; E416-I421 HydrophobicContact CB-CG1 4.43Å; E416-I421 HydrophobicContact CG-CD1 4.26Å; E416-L497 HydrophobicContact CG-CB 4.32Å; E416-L497 WeakPolarHBondContact OE1-CB 3.11Å
417	N	85.1	Confident	86.1	Confident	50 Å²	50	42.8 Å²	42.8	27%	0.267	20%	0.2	S	C	.	.			trans	-69.5	106.4	168.2	-176	-14.6	0	0	0	109.6	H419 D420 I421	N417-H419 PolarHBondContact O-N 3.09Å; N417-H419 WeakPolarHBondContact OD1-CA 3.46Å; N417-H419 WeakPolarHBondContact OD1-CB 3.49Å; N417-H419 PolarHBondContact OD1-N 3.19Å; N417-D420 HydrophobicContact CB-CB 4.27Å; N417-D420 WeakPolarHBondContact O-CB 3.25Å; N417-D420 PolarHBondContact O-N 3.03Å; N417-I421 PolarHBondContact O-N 3.03Å
418	W	87.6	Confident	83.8	Confident	72 Å²	72	53.8 Å²	53.8	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-26.9	-179.2	-64.4	-1.5	0	0	0	112.5	L413 R414 E416 I421 F422 D542 M546	L413-W418 PolarHBondContact O-NE1 3.35Å; R414-W418 PolarHBondContact O-NE1 3.05Å; E416-W418 PolarHBondContact O-N 3.4Å; E416-W418 VanDerWaalsContact O-N 3.09Å; W418-I421 PolarHBondContact O-N 3.16Å; W418-F422 HydrophobicContact CB-CD2 4.05Å; W418-F422 HydrophobicContact CB-CE2 3.88Å; W418-F422 WeakPolarHBondContact O-CB 3.46Å; W418-F422 WeakPolarHBondContact O-CD2 3.44Å; W418-F422 WeakPolarHBondContact O-CG 3.43Å; W418-F422 PolarHBondContact O-N 3.13Å; W418-D542 HydrophobicContact CH2-CB 4.47Å; W418-D542 HydrophobicContact CZ3-CB 3.81Å; W418-M546 HydrophobicContact CD2-CB 4.46Å; W418-M546 HydrophobicContact CD2-CG 4.44Å; W418-M546 HydrophobicContact CG-CG 4.24Å
419	H	81.3	Confident	81.2	Confident	45 Å²	45	59.6 Å²	59.6	21%	0.208	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-49.1	173.3	-169.1	85.7	0	0	0	110.9	N417 I421 F422 S423 E476	N417-H419 PolarHBondContact O-N 3.09Å; N417-H419 WeakPolarHBondContact OD1-CA 3.46Å; N417-H419 WeakPolarHBondContact OD1-CB 3.49Å; N417-H419 PolarHBondContact OD1-N 3.19Å; H419-I421 VanDerWaalsContact C-N 3.35Å; H419-I421 PolarHBondContact O-N 3.27Å; H419-F422 PolarHBondContact O-N 2.81Å; H419-S423 VanDerWaalsContact O-CB 3.26Å; H419-S423 WeakPolarHBondContact O-CB 3.45Å; H419-S423 PolarHBondContact O-N 2.76Å; H419-E476 IonicContact ND1-OE2 4Å
420	D	82.7	Confident	78.5	Confident	17 Å²	17	67 Å²	67	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-46.5	175.8	-86.6	-0.8	0	0	0	110.6	R388 N417 F422 S423	R388-D420 IonicContact NH2-OD2 2.83Å; R388-D420 PolarHBondContact NH2-OD2 3.47Å; N417-D420 HydrophobicContact CB-CB 4.27Å; N417-D420 WeakPolarHBondContact O-CB 3.25Å; N417-D420 PolarHBondContact O-N 3.03Å; D420-F422 PolarHBondContact O-N 3.12Å; D420-S423 PolarHBondContact O-N 2.9Å; D420-S423 PolarHBondContact O-OG 3.23Å
421	I	86.6	Confident	75.9	Confident	0 Å²	0	78 Å²	78	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-46.2	179.2	-69	176.3	0	0	0	112.1	E416 N417 W418 H419 A498 M546 H549 V550 R553	E416-I421 HydrophobicContact CB-CD1 3.58Å; E416-I421 HydrophobicContact CB-CG1 4.43Å; E416-I421 HydrophobicContact CG-CD1 4.26Å; N417-I421 PolarHBondContact O-N 3.03Å; W418-I421 PolarHBondContact O-N 3.16Å; H419-I421 VanDerWaalsContact C-N 3.35Å; H419-I421 PolarHBondContact O-N 3.27Å; I421-A498 HydrophobicContact CG1-CB 4.4Å; I421-M546 HydrophobicContact CD1-CG 4.35Å; I421-M546 HydrophobicContact CD1-SD 4.35Å; I421-M546 HydrophobicContact CG2-CG 4.37Å; I421-H549 PolarHBondContact O-CD2 3.01Å; I421-H549 PolarHBondContact O-NE2 3.22Å; I421-H549 VanDerWaalsContact O-NE2 3.08Å; I421-V550 HydrophobicContact CG2-CG2 3.68Å; I421-R553 PolarHBondContact O-NH1 3.45Å; I421-R553 VanDerWaalsContact O-NH1 3.07Å
422	F	87.8	Confident	73.2	Confident	75 Å²	75	81.8 Å²	81.8	33%	0.329	38%	0.377	S	S	.	.	H	α-helix	trans	-74.3	-25.9	-179.9	-70.8	-56.6	0	0	0	112.8	W418 H419 D420 V424 M546 H549	W418-F422 HydrophobicContact CB-CD2 4.05Å; W418-F422 HydrophobicContact CB-CE2 3.88Å; W418-F422 WeakPolarHBondContact O-CB 3.46Å; W418-F422 WeakPolarHBondContact O-CD2 3.44Å; W418-F422 WeakPolarHBondContact O-CG 3.43Å; W418-F422 PolarHBondContact O-N 3.13Å; H419-F422 PolarHBondContact O-N 2.81Å; D420-F422 PolarHBondContact O-N 3.12Å; F422-V424 PolarHBondContact O-N 2.83Å; F422-M546 HydrophobicContact CZ-CB 3.95Å; F422-H549 HydrophobicContact CD1-CB 3.91Å; F422-H549 AromaticContact CD1-CD2 3.72Å; F422-H549 AromaticContact CD1-CG 3.58Å; F422-H549 AromaticContact CD1-ND1 3.91Å; F422-H549 HydrophobicContact CE1-CB 3.6Å; F422-H549 AromaticContact CE1-CG 3.83Å
423	S	85	Confident	70.3	Confident	74 Å²	74	86.7 Å²	86.7	52%	0.517	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-31.7	177.8	79.2	0	0	0	0	112.1	H419 D420 R425	H419-S423 VanDerWaalsContact O-CB 3.26Å; H419-S423 WeakPolarHBondContact O-CB 3.45Å; H419-S423 PolarHBondContact O-N 2.76Å; D420-S423 PolarHBondContact O-N 2.9Å; D420-S423 PolarHBondContact O-OG 3.23Å; S423-R425 PolarHBondContact O-N 2.89Å
424	V	84.1	Confident	67.5	Low	58 Å²	58	95.2 Å²	95.2	35%	0.352	45%	0.449	S	S	.	.	S	Bend	trans	-76.5	90.4	173.2	-174.1	0	0	0	0	108.9	F422 H549	F422-V424 PolarHBondContact O-N 2.83Å; V424-H549 PolarHBondContact O-NE2 3.26Å
425	R	75.6	Confident	64.8	Low	205 Å²	205	101.7 Å²	101.7	77%	0.774	47%	0.473	S	S	*	.			trans	-79.9	137.1	176.1	-67.5	-172.8	179.6	-175	0.9	111.2	S423 K427	S423-R425 PolarHBondContact O-N 2.89Å; R425-K427 PolarHBondContact O-N 3.48Å
426	P	67.2	Low	62.1	Low	48 Å²	48	105.2 Å²	105.2	31%	0.312	49%	0.494	S	S	.	.			trans	-60.9	123	164.4	24.5	-29.3	0	0	0	108.6	R428 H556	P426-R428 PolarHBondContact O-N 2.96Å; P426-H556 HydrophobicContact CB-CB 3.87Å
427	K	57.4	Low	59.7	Low	178 Å²	178	107.4 Å²	107.4	77%	0.774	51%	0.509	S	S	*	.			trans	-68.5	98.4	-179.8	-73.4	-176.1	178.2	178.7	0	109.3	R425 N429 H556	R425-K427 PolarHBondContact O-N 3.48Å; K427-N429 PolarHBondContact O-N 2.95Å; K427-H556 PolarHBondContact O-NE2 3.37Å
428	R	47.7	Very low	57.1	Low	230 Å²	230	108.3 Å²	108.3	87%	0.868	52%	0.518	S	S	*	.			trans	-48.8	116	177.2	-85.2	-176.7	169.1	175.1	-3.9	111.5	P426	P426-R428 PolarHBondContact O-N 2.96Å
429	N	40.7	Very low	54.5	Low	123 Å²	123	108.3 Å²	108.3	66%	0.658	52%	0.524	S	S	*	.			trans	-90	128.8	152.6	-88.6	-15.1	0	0	0	107.7	K427 R431	K427-N429 PolarHBondContact O-N 2.95Å; N429-R431 PolarHBondContact O-N 3.09Å
430	D	39.5	Very low	52.5	Low	155 Å²	155	109.9 Å²	109.9	83%	0.829	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	26.5	-178.5	-86.1	-28.9	0	0	0	115.1
431	R	41.3	Very low	50.3	Low	232 Å²	232	115.2 Å²	115.2	88%	0.875	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-5.6	178.8	-69.1	-172.6	176.2	-176.9	-1.2	115.2	N429	N429-R431 PolarHBondContact O-N 3.09Å
432	T	36.8	Very low	47.8	Very low	79 Å²	79	123.7 Å²	123.7	49%	0.485	60%	0.601	S	S	.	*			trans	-120.7	53.1	-178.2	51.2	0	0	0	0	112
433	S	30.9	Very low	45.1	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	62%	0.624	S	S	*	*	S	Bend	trans	-92	104.5	163.7	-59.1	0	0	0	0	108.1
434	K	36.3	Very low	42.5	Very low	178 Å²	178	128 Å²	128	77%	0.774	63%	0.631	S	S	*	*			trans	66.4	79	179.6	-52.8	176.2	179.6	-180	0	114.4
435	R	32	Very low	39.9	Very low	166 Å²	166	132.9 Å²	132.9	63%	0.626	66%	0.655	S	S	*	*			trans	-97.8	94.9	148.7	-82.2	-177.2	173	173.8	-5.8	106.7
436	N	31.9	Very low	37.6	Very low	101 Å²	101	127.9 Å²	127.9	54%	0.54	65%	0.652	S	S	.	*			trans	-68.1	152.6	163.7	-77.5	-25.8	0	0	0	107.6	S438 D439	N436-S438 WeakPolarHBondContact CB-OG 3.37Å; N436-S438 PolarHBondContact O-N 3.45Å; N436-D439 PolarHBondContact N-OD2 3.16Å; N436-D439 VanDerWaalsContact N-OD2 3.14Å; N436-D439 PolarHBondContact O-N 2.88Å
437	V	36.7	Very low	35.8	Very low	66 Å²	66	134.1 Å²	134.1	40%	0.4	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.1	-21.5	178	-176.1	0	0	0	0	112	Q577	V437-Q577 HydrophobicContact CG1-CB 4.24Å; V437-Q577 HydrophobicContact CG1-CG 4.38Å
438	S	30.8	Very low	34.2	Very low	68 Å²	68	134.1 Å²	134.1	48%	0.476	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68	-24.6	172.8	55.1	0	0	0	0	115.9	N436	N436-S438 WeakPolarHBondContact CB-OG 3.37Å; N436-S438 PolarHBondContact O-N 3.45Å
439	D	33.1	Very low	33.4	Very low	72 Å²	72	130.1 Å²	130.1	39%	0.385	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-18.2	-166.8	-56.2	-29.4	0	0	0	112.6	N436 I441	N436-D439 PolarHBondContact N-OD2 3.16Å; N436-D439 VanDerWaalsContact N-OD2 3.14Å; N436-D439 PolarHBondContact O-N 2.88Å; D439-I441 VanDerWaalsContact C-N 3.28Å; D439-I441 PolarHBondContact O-N 3.18Å
440	V	38.8	Very low	32.7	Very low	78 Å²	78	133.5 Å²	133.5	47%	0.473	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-11.9	-179.1	-177.3	0	0	0	0	112.5
441	I	36.6	Very low	32.1	Very low	130 Å²	130	130.9 Å²	130.9	67%	0.667	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-10.2	-175.9	-61	176.5	0	0	0	112.7	D439	D439-I441 VanDerWaalsContact C-N 3.28Å; D439-I441 PolarHBondContact O-N 3.18Å
442	K	34.2	Very low	31.6	Very low	178 Å²	178	126.3 Å²	126.3	77%	0.774	68%	0.681	S	S	*	*	S	Bend	trans	-102	-10.1	-173.7	-72.5	-172.7	177.2	-178.2	0	116.3	G444	K442-G444 VanDerWaalsContact C-N 3.33Å; K442-G444 PolarHBondContact O-N 3.26Å; K442-G444 VanDerWaalsContact O-N 3.09Å
443	E	30.5	Very low	31	Very low	175 Å²	175	130 Å²	130	82%	0.818	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	75.4	175	-70.5	-174.3	166.6	0	0	110.1
444	G	29.7	Very low	31	Very low	65 Å²	65	133.4 Å²	133.4	67%	0.67	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-162.5	-5.2	179.4	0	0	0	0	0	116.3	K442	K442-G444 VanDerWaalsContact C-N 3.33Å; K442-G444 PolarHBondContact O-N 3.26Å; K442-G444 VanDerWaalsContact O-N 3.09Å
445	N	30	Very low	30.5	Very low	159 Å²	159	131 Å²	131	85%	0.85	71%	0.707	S	S	*	*	S	Bend	trans	-143.6	143.1	174	-89	-27	0	0	0	111.7
446	S	27.7	Very low	30.5	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	72%	0.717	S	S	*	*			trans	-72.6	162.7	-159.3	-21.7	0	0	0	0	116.8
447	E	29	Very low	30.3	Very low	179 Å²	179	131 Å²	131	84%	0.836	73%	0.729	S	S	*	*			trans	87.6	112.1	142	-73.8	174.2	-166.8	0	0	121.9
448	E	25.1	Very low	30	Very low	178 Å²	178	139.3 Å²	139.3	83%	0.832	75%	0.753	S	S	*	*			trans	17.7	118.7	143	-60.4	-168.5	143.6	0	0	120.2
449	V	29.9	Very low	29.8	Very low	145 Å²	145	145.3 Å²	145.3	88%	0.879	77%	0.77	S	S	*	*				-149	125.6	127.9	-178.8	0	0	0	0	110.4
450	K	25.2	Very low	29.6	Very low	195 Å²	195	149.3 Å²	149.3	85%	0.848	79%	0.79	S	S	*	*			trans	-76.8	137.2	167.8	-67	166.6	176.4	166	0	110.5
451	S	28.7	Very low	29	Very low	99 Å²	99	151.2 Å²	151.2	69%	0.692	80%	0.804	S	S	*	*			trans	-179.7	117.2	135.7	43	0	0	0	0	115
452	T	29.1	Very low	28.4	Very low	137 Å²	137	150.4 Å²	150.4	84%	0.84	81%	0.81	S	S	*	*			trans	70.1	114.4	131.4	60.3	0	0	0	0	122.1
453	N	25	Very low	28	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	81%	0.807	S	S	*	*			trans	-53.3	144.6	161.8	-65.1	-40.4	0	0	0	113.8
454	L	30	Very low	27.9	Very low	176 Å²	176	148 Å²	148	92%	0.921	81%	0.81	S	S	*	*			trans	-142.8	120.9	145.2	-99.9	149.8	0	0	0	109.4
455	T	27	Very low	27.7	Very low	127 Å²	127	156.9 Å²	156.9	78%	0.779	82%	0.823	S	S	*	*			trans	-80.5	138.6	-179.8	39.3	0	0	0	0	110.7
456	S	31.1	Very low	27.7	Very low	120 Å²	120	155.3 Å²	155.3	84%	0.839	82%	0.819	S	S	*	*			trans	-142.1	104	150.4	79.6	0	0	0	0	110.7
457	N	27.5	Very low	27.6	Very low	148 Å²	148	154.1 Å²	154.1	79%	0.791	82%	0.823	S	S	*	*			trans	-57.9	126.4	168.1	-93.2	-37.4	0	0	0	111.4
458	R	30.3	Very low	27.7	Very low	240 Å²	240	155.2 Å²	155.2	91%	0.906	82%	0.82	S	S	*	*			trans	-136.5	105.2	141.7	-96.3	-174.7	177.2	176.8	-0.6	109.7
459	K	27.6	Very low	27.9	Very low	194 Å²	194	150.3 Å²	150.3	84%	0.843	82%	0.817	S	S	*	*			trans	-66.3	129.1	168.9	-69.4	177.1	175.4	178.5	0	109.1
460	I	27.5	Very low	27.8	Very low	157 Å²	157	145.6 Å²	145.6	81%	0.805	80%	0.797	S	S	*	*			trans	-126	135.2	157.6	-59.9	177.9	0	0	0	106.8
461	P	26.4	Very low	28	Very low	117 Å²	117	139.2 Å²	139.2	76%	0.76	78%	0.781	S	S	*	*			trans	-76.7	149.7	-162.6	-10.5	28	0	0	0	113.6	S463	P461-S463 PolarHBondContact O-N 3.4Å
462	S	24.7	Very low	28.1	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	78%	0.779	S	S	*	*			trans	-51.2	118.5	166.1	50.3	0	0	0	0	113.3
463	S	26.9	Very low	28.2	Very low	100 Å²	100	136 Å²	136	70%	0.699	75%	0.753	S	S	*	*			trans	172.2	83.4	146.8	44.1	0	0	0	0	112.4	P461	P461-S463 PolarHBondContact O-N 3.4Å
464	F	26.7	Very low	28.4	Very low	203 Å²	203	133.2 Å²	133.2	89%	0.89	74%	0.739	S	S	*	*			trans	-149.9	77.8	152.5	-95	-78.8	0	0	0	108.5	T466	F464-T466 PolarHBondContact O-N 2.93Å
465	R	25.9	Very low	28.7	Very low	251 Å²	251	127.7 Å²	127.7	95%	0.947	71%	0.71	S	S	*	*			trans	-80.3	93.6	160.6	-84.2	-176.1	174.2	179.9	-1.1	107.2	G467	R465-G467 VanDerWaalsContact C-N 3.25Å; R465-G467 PolarHBondContact O-N 2.8Å
466	T	30.3	Very low	29.1	Very low	125 Å²	125	126.1 Å²	126.1	77%	0.767	69%	0.693	S	S	*	*			trans	-77.8	83.4	162.5	50.1	0	0	0	0	108.3	F464 R468	F464-T466 PolarHBondContact O-N 2.93Å; T466-R468 PolarHBondContact O-N 3.38Å
467	G	26.6	Very low	29.2	Very low	76 Å²	76	127.6 Å²	127.6	78%	0.784	68%	0.681	S	S	*	*			trans	-72.5	95.1	168.1	0	0	0	0	0	109.8	R465	R465-G467 VanDerWaalsContact C-N 3.25Å; R465-G467 PolarHBondContact O-N 2.8Å
468	R	30.2	Very low	29.6	Very low	203 Å²	203	123.2 Å²	123.2	77%	0.766	66%	0.662	S	S	*	*			trans	-136.8	15.4	173.7	-105.3	-174.6	-176.6	-175.1	2.4	114.3	T466	T466-R468 PolarHBondContact O-N 3.38Å
469	G	28.5	Very low	29.8	Very low	74 Å²	74	117.4 Å²	117.4	76%	0.763	64%	0.64	S	S	*	*	S	Bend	trans	-117	11.7	-177.8	0	0	0	0	0	116.1
470	G	29	Very low	30.3	Very low	46 Å²	46	111.1 Å²	111.1	47%	0.474	61%	0.613	S	S	.	*	S	Bend	trans	-117.9	-4.4	-172.1	0	0	0	0	0	116.5	S473	G470-S473 PolarHBondContact O-OG 2.7Å
471	A	29.5	Very low	30.7	Very low	62 Å²	62	111 Å²	111	51%	0.512	61%	0.609	S	S	.	*	S	Bend	trans	-90.2	-37.5	-177.4	0	0	0	0	0	112.7	S473 N474	A471-S473 VanDerWaalsContact C-N 3.25Å; A471-S473 PolarHBondContact O-N 3.24Å; A471-N474 PolarHBondContact O-N 2.81Å
472	L	30.1	Very low	31.1	Very low	125 Å²	125	110.6 Å²	110.6	65%	0.654	60%	0.6	S	S	*	*	H	α-helix	trans	-64.9	-28.8	175.8	-69.9	164.2	0	0	0	112.6	N474	L472-N474 VanDerWaalsContact C-N 3.31Å; L472-N474 PolarHBondContact O-N 3.12Å
473	S	31	Very low	31.8	Very low	42 Å²	42	108.1 Å²	108.1	29%	0.294	58%	0.577	S	S	.	*	H	α-helix	trans	-73.6	-16.4	179.7	55.3	0	0	0	0	114.9	G470 A471 R477	G470-S473 PolarHBondContact O-OG 2.7Å; A471-S473 VanDerWaalsContact C-N 3.25Å; A471-S473 PolarHBondContact O-N 3.24Å; S473-R477 WeakPolarHBondContact O-CG 3.32Å
474	N	29.7	Very low	32.2	Very low	98 Å²	98	104.7 Å²	104.7	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-98.5	-18.1	-178	-74.4	-11.2	0	0	0	113.1	A471 L472 S478	A471-N474 PolarHBondContact O-N 2.81Å; L472-N474 VanDerWaalsContact C-N 3.31Å; L472-N474 PolarHBondContact O-N 3.12Å; N474-S478 PolarHBondContact O-OG 2.9Å
475	I	35.8	Very low	33.3	Very low	60 Å²	60	97.6 Å²	97.6	31%	0.308	53%	0.525	S	S	.	.	H	α-helix	trans	-93.3	-25.9	-174.6	-64	167.6	0	0	0	111.3	D13 S478	D13-I475 HydrophobicContact CB-CD1 3.42Å; D13-I475 VanDerWaalsContact CB-CD1 3.42Å; D13-I475 VanDerWaalsContact OD1-CD1 3.22Å; D13-I475 WeakPolarHBondContact OD1-CD1 3.39Å; I475-S478 PolarHBondContact O-OG 2.78Å
476	E	35.8	Very low	34.6	Very low	93 Å²	93	89.2 Å²	89.2	44%	0.435	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-34.5	170	-70.8	179	158.2	0	0	112.3	H419 S478 R479 E480	H419-E476 IonicContact ND1-OE2 4Å; E476-S478 VanDerWaalsContact C-N 3.28Å; E476-S478 PolarHBondContact O-N 3.17Å; E476-R479 WeakPolarHBondContact O-CA 3.45Å; E476-R479 WeakPolarHBondContact O-CB 3.45Å; E476-R479 PolarHBondContact O-N 2.74Å; E476-E480 PolarHBondContact O-N 2.93Å
477	R	33.2	Very low	35.5	Very low	152 Å²	152	86.9 Å²	86.9	57%	0.574	49%	0.486	S	S	*	.	H	α-helix	trans	-58.7	-38.1	173.3	-89.7	-178	172.6	-174.6	-5	113.3	S473 R479 E481	S473-R477 WeakPolarHBondContact O-CG 3.32Å; R477-R479 VanDerWaalsContact C-N 3.27Å; R477-R479 PolarHBondContact O-N 3.12Å; R477-E481 PolarHBondContact O-N 2.92Å
478	S	36.2	Very low	36.7	Very low	56 Å²	56	86.3 Å²	86.3	39%	0.392	47%	0.465	S	S	.	.	H	α-helix	trans	-76.1	-17.1	176.9	30.5	0	0	0	0	112.6	N474 I475 E476 L482	N474-S478 PolarHBondContact O-OG 2.9Å; I475-S478 PolarHBondContact O-OG 2.78Å; E476-S478 VanDerWaalsContact C-N 3.28Å; E476-S478 PolarHBondContact O-N 3.17Å; S478-L482 WeakPolarHBondContact O-CD1 3.4Å
479	R	34.5	Very low	37.9	Very low	117 Å²	117	77.3 Å²	77.3	44%	0.442	43%	0.432	S	S	.	.	H	α-helix	trans	-87.8	-32.2	176	-151	174.2	171.8	-171.8	-3.5	112.3	E476 R477 E481 L482 I483	E476-R479 WeakPolarHBondContact O-CA 3.45Å; E476-R479 WeakPolarHBondContact O-CB 3.45Å; E476-R479 PolarHBondContact O-N 2.74Å; R477-R479 VanDerWaalsContact C-N 3.27Å; R477-R479 PolarHBondContact O-N 3.12Å; R479-E481 PolarHBondContact O-N 2.94Å; R479-L482 PolarHBondContact O-N 3.49Å; R479-I483 PolarHBondContact O-N 2.81Å
480	E	37.1	Very low	39.3	Very low	62 Å²	62	78.6 Å²	78.6	29%	0.29	42%	0.416	S	S	.	.	H	α-helix	trans	-66.6	-23.8	169.3	-72.1	178.3	170	0	0	113	E476	E476-E480 PolarHBondContact O-N 2.93Å
481	E	36.2	Very low	41	Very low	155 Å²	155	82.7 Å²	82.7	72%	0.724	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.7	174	-73	178.5	169.3	0	0	113.9	R477 R479	R477-E481 PolarHBondContact O-N 2.92Å; R479-E481 PolarHBondContact O-N 2.94Å
482	L	36.2	Very low	42.8	Very low	109 Å²	109	84.5 Å²	84.5	57%	0.571	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-17.8	-175.2	-95	160.6	0	0	0	114.2	S478 R479	S478-L482 WeakPolarHBondContact O-CD1 3.4Å; R479-L482 PolarHBondContact O-N 3.49Å
483	I	37.6	Very low	45.1	Very low	61 Å²	61	79.3 Å²	79.3	31%	0.313	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	122.7	170.7	-44.5	165.1	0	0	0	104.1	R479 W485	R479-I483 PolarHBondContact O-N 2.81Å; I483-W485 PolarHBondContact O-N 3.01Å
484	G	37.2	Very low	47.3	Very low	29 Å²	29	84.5 Å²	84.5	30%	0.299	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	66.5	-173.4	0	0	0	0	0	114.8	H486	G484-H486 PolarHBondContact O-N 2.89Å
485	W	49.1	Very low	49.9	Very low	54 Å²	54	81.8 Å²	81.8	21%	0.205	39%	0.392	C	S	.	.			trans	-77.1	82.1	177.3	-102.6	54.8	0	0	0	107.8	H383 P384 I483 S487	H383-W485 AromaticContact CE1-CE2 3.84Å; H383-W485 AromaticContact CE1-CZ2 3.84Å; H383-W485 AromaticContact CE1-NE1 3.26Å; H383-W485 PolarHBondContact CE1-NE1 3.5Å; H383-W485 VanDerWaalsContact CE1-NE1 3.26Å; H383-W485 AromaticContact NE2-CD1 3.95Å; H383-W485 AromaticContact NE2-CE2 3.91Å; H383-W485 AromaticContact NE2-NE1 2.99Å; H383-W485 PolarHBondContact NE2-NE1 3.17Å; P384-W485 HydrophobicContact CB-CH2 3.2Å; P384-W485 HydrophobicContact CB-CZ2 3.47Å; P384-W485 VanDerWaalsContact CB-CZ2 3.47Å; P384-W485 HydrophobicContact CB-CZ3 4.19Å; P384-W485 HydrophobicContact CG-CH2 3.29Å; P384-W485 HydrophobicContact CG-CZ2 3.16Å; P384-W485 HydrophobicContact CG-CZ3 4.12Å; I483-W485 PolarHBondContact O-N 3.01Å; W485-S487 PolarHBondContact O-N 3.26Å
486	H	52.2	Low	52.5	Low	74 Å²	74	79.5 Å²	79.5	34%	0.343	38%	0.381	S	S	.	.			trans	-41.2	118.8	176.3	-94	-94.3	0	0	0	110.7	N356 G484 D488 L489	N356-H486 PolarHBondContact OD1-CD2 2.89Å; N356-H486 PolarHBondContact OD1-NE2 3.43Å; N356-H486 VanDerWaalsContact OD1-NE2 3.15Å; G484-H486 PolarHBondContact O-N 2.89Å; H486-D488 HydrophobicContact CB-CB 4.31Å; H486-D488 IonicContact ND1-OD2 2.75Å; H486-D488 PolarHBondContact ND1-OD2 2.67Å; H486-D488 VanDerWaalsContact ND1-OD2 3.1Å; H486-D488 PolarHBondContact O-N 3.27Å; H486-L489 HydrophobicContact CB-CD1 4.34Å; H486-L489 PolarHBondContact O-N 3.39Å
487	S	50.2	Low	55.3	Low	77 Å²	77	75.1 Å²	75.1	54%	0.538	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-23.7	161.3	48.6	0	0	0	0	113.1	W485 K491	W485-S487 PolarHBondContact O-N 3.26Å; S487-K491 WeakPolarHBondContact O-CG 3.39Å; S487-K491 PolarHBondContact O-N 3.45Å
488	D	50.8	Low	58.3	Low	63 Å²	63	67.9 Å²	67.9	34%	0.337	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-31.7	-178.8	-51.3	-43.7	0	0	0	113.5	H486 K491 E492	H486-D488 HydrophobicContact CB-CB 4.31Å; H486-D488 IonicContact ND1-OD2 2.75Å; H486-D488 PolarHBondContact ND1-OD2 2.67Å; H486-D488 VanDerWaalsContact ND1-OD2 3.1Å; H486-D488 PolarHBondContact O-N 3.27Å; D488-K491 WeakPolarHBondContact O-CB 3.21Å; D488-K491 PolarHBondContact O-N 3.05Å; D488-K491 VanDerWaalsContact O-N 3.14Å; D488-K491 IonicContact OD1-NZ 3.44Å; D488-K491 PolarHBondContact OD1-NZ 2.7Å; D488-K491 VanDerWaalsContact OD1-NZ 3.13Å; D488-E492 PolarHBondContact O-N 2.84Å
489	L	56.3	Low	61.1	Low	14 Å²	14	66.4 Å²	66.4	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-69.5	-39.1	173.3	-86	162.3	0	0	0	111.8	V359 H486 K491 E492 W493	V359-L489 HydrophobicContact CB-CD1 4.38Å; V359-L489 HydrophobicContact CB-CD2 4.38Å; V359-L489 HydrophobicContact CG1-CD1 3.98Å; V359-L489 HydrophobicContact CG1-CD2 3.43Å; V359-L489 VanDerWaalsContact CG1-CD2 3.43Å; V359-L489 HydrophobicContact CG1-CG 3.86Å; V359-L489 HydrophobicContact CG2-CD1 3.63Å; V359-L489 HydrophobicContact CG2-CD2 4.07Å; V359-L489 HydrophobicContact CG2-CG 4.36Å; H486-L489 HydrophobicContact CB-CD1 4.34Å; H486-L489 PolarHBondContact O-N 3.39Å; L489-K491 PolarHBondContact O-N 2.79Å; L489-E492 PolarHBondContact O-N 3.36Å; L489-W493 HydrophobicContact CD2-CE3 3.74Å; L489-W493 HydrophobicContact CD2-CH2 4.48Å; L489-W493 HydrophobicContact CD2-CZ3 3.71Å; L489-W493 PolarHBondContact O-N 3.27Å
490	K	58.5	Low	64	Low	101 Å²	101	60.8 Å²	60.8	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-15.3	171.5	-78.2	-173.2	177.2	178.8	0	112.7	K494	K490-K494 WeakPolarHBondContact O-CG 3.45Å
491	K	63.3	Low	66.9	Low	133 Å²	133	58 Å²	58	58%	0.578	29%	0.288	S	S	*	.	H	α-helix	trans	-84.2	-34.8	173.1	-71.8	172	-169.5	159.4	0	112.7	S487 D488 L489 K494	S487-K491 WeakPolarHBondContact O-CG 3.39Å; S487-K491 PolarHBondContact O-N 3.45Å; D488-K491 WeakPolarHBondContact O-CB 3.21Å; D488-K491 PolarHBondContact O-N 3.05Å; D488-K491 VanDerWaalsContact O-N 3.14Å; D488-K491 IonicContact OD1-NZ 3.44Å; D488-K491 PolarHBondContact OD1-NZ 2.7Å; D488-K491 VanDerWaalsContact OD1-NZ 3.13Å; L489-K491 PolarHBondContact O-N 2.79Å; K491-K494 WeakPolarHBondContact O-CE 3.19Å
492	E	67.3	Low	69.7	Low	100 Å²	100	51.1 Å²	51.1	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-91	-52.2	-177.4	-72.7	177.9	-163.9	0	0	112.5	K363 D488 L489	K363-E492 WeakPolarHBondContact CD-OE2 3.38Å; K363-E492 WeakPolarHBondContact CE-OE2 3.48Å; K363-E492 IonicContact NZ-OE1 2.85Å; K363-E492 PolarHBondContact NZ-OE1 3.46Å; K363-E492 IonicContact NZ-OE2 2.84Å; K363-E492 PolarHBondContact NZ-OE2 3.4Å; D488-E492 PolarHBondContact O-N 2.84Å; L489-E492 PolarHBondContact O-N 3.36Å
493	W	80	Confident	72.6	Confident	16 Å²	16	49.7 Å²	49.7	6%	0.061	24%	0.243	C	C	.	.	S	Bend	trans	-107.6	72.9	-178.9	-54.4	-32.5	0	0	0	111	L362 K363 R388 F389 H392 L489	L362-W493 HydrophobicContact CB-CH2 3.7Å; L362-W493 HydrophobicContact CB-CZ3 4.47Å; K363-W493 HydrophobicContact CG-CH2 4.28Å; K363-W493 HydrophobicContact CG-CZ2 4.04Å; R388-W493 HydrophobicContact CB-CB 3.83Å; R388-W493 WeakPolarHBondContact CD-O 3.03Å; R388-W493 PolarHBondContact NH1-O 3.18Å; F389-W493 HydrophobicContact CB-CD2 4.46Å; F389-W493 HydrophobicContact CB-CE3 4.01Å; F389-W493 HydrophobicContact CB-CH2 4.09Å; F389-W493 HydrophobicContact CB-CZ3 3.81Å; F389-W493 AromaticContact CD2-CH2 3.69Å; F389-W493 HydrophobicContact CD2-CH2 3.69Å; F389-W493 AromaticContact CD2-CZ2 3.61Å; F389-W493 HydrophobicContact CD2-CZ2 3.61Å; F389-W493 HydrophobicContact CD2-CZ3 4.29Å; F389-W493 HydrophobicContact CE2-CZ2 4.39Å; F389-W493 HydrophobicContact CG-CH2 4.31Å; H392-W493 HydrophobicContact CB-CG 4.38Å; H392-W493 AromaticContact CD2-CD1 3.76Å; H392-W493 AromaticContact CD2-NE1 3.43Å; H392-W493 PolarHBondContact CD2-NE1 3.35Å; H392-W493 AromaticContact CG-CD1 3.73Å; H392-W493 AromaticContact CG-NE1 3.89Å; L489-W493 HydrophobicContact CD2-CE3 3.74Å; L489-W493 HydrophobicContact CD2-CH2 4.48Å; L489-W493 HydrophobicContact CD2-CZ3 3.71Å; L489-W493 PolarHBondContact O-N 3.27Å
494	K	76.1	Confident	75.3	Confident	150 Å²	150	48.1 Å²	48.1	65%	0.652	23%	0.233	S	C	*	.			trans	-73.4	-30	-168.6	-49.4	-162.3	177.3	170.7	0	114.3	R388 K490 K491	R388-K494 PolarHBondContact NH1-O 3.36Å; K490-K494 WeakPolarHBondContact O-CG 3.45Å; K491-K494 WeakPolarHBondContact O-CE 3.19Å
495	E	85	Confident	78.2	Confident	42 Å²	42	46.7 Å²	46.7	20%	0.196	22%	0.219	C	C	.	.			trans	-94	133	-166.4	-157.5	169	-140.9	0	0	111.6	V391 S499 F500 R503	V391-E495 HydrophobicContact CG1-CB 4.49Å; E495-S499 VanDerWaalsContact CG-CB 3.43Å; E495-S499 VanDerWaalsContact OE1-C 3.25Å; E495-F500 VanDerWaalsContact CD-N 3.33Å; E495-F500 HydrophobicContact CG-CB 4.11Å; E495-F500 WeakPolarHBondContact OE1-CA 3.49Å; E495-F500 PolarHBondContact OE1-N 2.65Å; E495-F500 WeakPolarHBondContact OE2-CA 3.36Å; E495-R503 IonicContact OE1-NE 2.67Å; E495-R503 PolarHBondContact OE1-NE 3.3Å; E495-R503 VanDerWaalsContact OE1-NE 3.12Å; E495-R503 IonicContact OE2-CZ 2.76Å; E495-R503 VanDerWaalsContact OE2-CZ 3.27Å; E495-R503 IonicContact OE2-NE 2.62Å; E495-R503 PolarHBondContact OE2-NE 2.89Å; E495-R503 IonicContact OE2-NH2 3.22Å; E495-R503 PolarHBondContact OE2-NH2 3.11Å
496	D	90.3	Very high	80.4	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.064	22%	0.223	C	C	.	.			trans	-84.9	166.8	166.2	63.6	76.6	0	0	0	110.8	A498 S499 F500	D496-A498 VanDerWaalsContact C-N 3.32Å; D496-A498 PolarHBondContact O-N 2.86Å; D496-A498 WeakPolarHBondContact OD1-CA 3.47Å; D496-A498 WeakPolarHBondContact OD1-CB 3.17Å; D496-A498 PolarHBondContact OD1-N 3.18Å; D496-S499 VanDerWaalsContact CG-OG 3.25Å; D496-S499 PolarHBondContact O-N 3.46Å; D496-S499 PolarHBondContact OD1-N 3.29Å; D496-S499 PolarHBondContact OD1-OG 2.96Å; D496-S499 PolarHBondContact OD2-OG 3.09Å; D496-F500 PolarHBondContact O-N 2.61Å
497	L	95	Very high	82.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-39.9	-177.2	-179.7	60.4	0	0	0	113	F377 V391 L394 L409 A412 L413 E416 F500 L501	F377-L497 HydrophobicContact CD1-CD2 3.95Å; F377-L497 HydrophobicContact CE1-CB 4.42Å; F377-L497 HydrophobicContact CE1-CD1 4.1Å; F377-L497 HydrophobicContact CE1-CD2 4.09Å; F377-L497 HydrophobicContact CE1-CG 4.44Å; F377-L497 HydrophobicContact CZ-CD1 4.18Å; V391-L497 HydrophobicContact CG2-CB 4.04Å; V391-L497 HydrophobicContact CG2-CD1 4.39Å; L394-L497 HydrophobicContact CD2-CD1 4.42Å; L409-L497 HydrophobicContact CD2-CD1 4.2Å; L409-L497 WeakPolarHBondContact O-CD2 3.32Å; A412-L497 HydrophobicContact CB-CD2 3.79Å; L413-L497 HydrophobicContact CD2-CB 4.22Å; L413-L497 HydrophobicContact CD2-CD2 4.07Å; L413-L497 HydrophobicContact CD2-CG 4.01Å; E416-L497 HydrophobicContact CG-CB 4.32Å; E416-L497 WeakPolarHBondContact OE1-CB 3.11Å; L497-F500 HydrophobicContact CD1-CD1 4.26Å; L497-F500 PolarHBondContact O-N 2.93Å; L497-L501 HydrophobicContact CD1-CD1 4.25Å; L497-L501 HydrophobicContact CD1-CG 4.12Å; L497-L501 HydrophobicContact CG-CD1 4.16Å; L497-L501 HydrophobicContact CG-CG 4.44Å; L497-L501 VanDerWaalsContact O-CG 3.28Å; L497-L501 WeakPolarHBondContact O-CG 3.45Å; L497-L501 PolarHBondContact O-N 3.35Å
498	A	95.6	Very high	84.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-42.5	-179.9	0	0	0	0	0	111.5	L413 I421 D496 I502 V550	L413-A498 HydrophobicContact CD2-CB 3.85Å; I421-A498 HydrophobicContact CG1-CB 4.4Å; D496-A498 VanDerWaalsContact C-N 3.32Å; D496-A498 PolarHBondContact O-N 2.86Å; D496-A498 WeakPolarHBondContact OD1-CA 3.47Å; D496-A498 WeakPolarHBondContact OD1-CB 3.17Å; D496-A498 PolarHBondContact OD1-N 3.18Å; A498-I502 WeakPolarHBondContact O-CD1 3.4Å; A498-I502 VanDerWaalsContact O-CG1 3.25Å; A498-I502 WeakPolarHBondContact O-CG1 3.28Å; A498-I502 PolarHBondContact O-N 3.12Å; A498-I502 VanDerWaalsContact O-N 3.12Å; A498-V550 HydrophobicContact CB-CG1 4.22Å; A498-V550 HydrophobicContact CB-CG2 4.2Å
499	S	94.5	Very high	86.8	Confident	24 Å²	24	45.2 Å²	45.2	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.4	-62.5	0	0	0	0	111.2	E495 D496 I502 R503 R553	E495-S499 VanDerWaalsContact CG-CB 3.43Å; E495-S499 VanDerWaalsContact OE1-C 3.25Å; D496-S499 VanDerWaalsContact CG-OG 3.25Å; D496-S499 PolarHBondContact O-N 3.46Å; D496-S499 PolarHBondContact OD1-N 3.29Å; D496-S499 PolarHBondContact OD1-OG 2.96Å; D496-S499 PolarHBondContact OD2-OG 3.09Å; S499-I502 PolarHBondContact O-N 3.13Å; S499-R503 WeakPolarHBondContact O-CB 3.42Å; S499-R503 PolarHBondContact O-N 3.26Å; S499-R553 PolarHBondContact OG-NH2 3.35Å
500	F	95.6	Very high	88.8	Confident	0 Å²	0	47 Å²	47	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-51.3	176.4	167.9	-98.4	0	0	0	112.2	V391 L394 E395 L402 E495 D496 L497 I502 R503 R504	V391-F500 HydrophobicContact CG1-CB 3.64Å; V391-F500 HydrophobicContact CG1-CD2 4.12Å; V391-F500 HydrophobicContact CG1-CG 3.9Å; L394-F500 HydrophobicContact CB-CE1 4.48Å; L394-F500 HydrophobicContact CB-CZ 4.29Å; L394-F500 HydrophobicContact CD2-CD1 4.14Å; L394-F500 HydrophobicContact CD2-CE1 3.49Å; L394-F500 VanDerWaalsContact CD2-CE1 3.49Å; L394-F500 HydrophobicContact CD2-CZ 4.08Å; L394-F500 HydrophobicContact CG-CE1 3.84Å; L394-F500 HydrophobicContact CG-CZ 3.89Å; E395-F500 HydrophobicContact CG-CD2 4.29Å; E395-F500 HydrophobicContact CG-CE2 3.96Å; L402-F500 HydrophobicContact CD1-CE1 4.08Å; L402-F500 HydrophobicContact CD2-CE1 4.14Å; L402-F500 HydrophobicContact CD2-CZ 4.24Å; E495-F500 VanDerWaalsContact CD-N 3.33Å; E495-F500 HydrophobicContact CG-CB 4.11Å; E495-F500 WeakPolarHBondContact OE1-CA 3.49Å; E495-F500 PolarHBondContact OE1-N 2.65Å; E495-F500 WeakPolarHBondContact OE2-CA 3.36Å; D496-F500 PolarHBondContact O-N 2.61Å; L497-F500 HydrophobicContact CD1-CD1 4.26Å; L497-F500 PolarHBondContact O-N 2.93Å; F500-I502 VanDerWaalsContact C-N 3.32Å; F500-I502 PolarHBondContact O-N 2.85Å; F500-R503 PolarHBondContact O-N 2.99Å; F500-R504 HydrophobicContact CD1-CG 4.43Å; F500-R504 HydrophobicContact CD2-CG 4.1Å; F500-R504 HydrophobicContact CE1-CG 4.04Å; F500-R504 HydrophobicContact CE2-CG 3.66Å; F500-R504 HydrophobicContact CG-CG 4.46Å; F500-R504 HydrophobicContact CZ-CG 3.65Å; F500-R504 WeakPolarHBondContact O-CG 3.26Å; F500-R504 PolarHBondContact O-N 3.44Å
501	L	97.2	Very high	90.6	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-42.5	-179.8	-68.9	175.3	0	0	0	111.7	L406 L409 L497 R504 A505 L515	L406-L501 HydrophobicContact CD1-CD2 3.81Å; L409-L501 HydrophobicContact CB-CD1 4.35Å; L409-L501 HydrophobicContact CB-CD2 4.3Å; L409-L501 HydrophobicContact CD1-CD2 4.27Å; L497-L501 HydrophobicContact CD1-CD1 4.25Å; L497-L501 HydrophobicContact CD1-CG 4.12Å; L497-L501 HydrophobicContact CG-CD1 4.16Å; L497-L501 HydrophobicContact CG-CG 4.44Å; L497-L501 VanDerWaalsContact O-CG 3.28Å; L497-L501 WeakPolarHBondContact O-CG 3.45Å; L497-L501 PolarHBondContact O-N 3.35Å; L501-R504 PolarHBondContact O-N 3.3Å; L501-A505 WeakPolarHBondContact O-CB 3.44Å; L501-A505 PolarHBondContact O-N 2.72Å; L501-L515 HydrophobicContact CB-CD1 4.29Å; L501-L515 HydrophobicContact CB-CD2 4.05Å; L501-L515 HydrophobicContact CD1-CD1 4.33Å
502	I	96.5	Very high	92.3	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-44.6	176.6	-68.5	167.3	0	0	0	110.8	A498 S499 F500 R504 A505 Q506 V550 R553 L554 A557	A498-I502 WeakPolarHBondContact O-CD1 3.4Å; A498-I502 VanDerWaalsContact O-CG1 3.25Å; A498-I502 WeakPolarHBondContact O-CG1 3.28Å; A498-I502 PolarHBondContact O-N 3.12Å; A498-I502 VanDerWaalsContact O-N 3.12Å; S499-I502 PolarHBondContact O-N 3.13Å; F500-I502 VanDerWaalsContact C-N 3.32Å; F500-I502 PolarHBondContact O-N 2.85Å; I502-R504 PolarHBondContact O-N 3.3Å; I502-A505 WeakPolarHBondContact O-CB 3.41Å; I502-A505 PolarHBondContact O-N 3.36Å; I502-Q506 WeakPolarHBondContact O-CG 3.42Å; I502-Q506 PolarHBondContact O-N 3Å; I502-V550 HydrophobicContact CD1-CG1 4.39Å; I502-R553 HydrophobicContact CD1-CB 3.61Å; I502-L554 HydrophobicContact CG1-CB 4.23Å; I502-L554 HydrophobicContact CG1-CD1 4.18Å; I502-L554 HydrophobicContact CG2-CD1 4.31Å; I502-A557 HydrophobicContact CG2-CB 3.55Å
503	R	95.3	Very high	93.7	Very high	78 Å²	78	31.1 Å²	31.1	29%	0.294	14%	0.143	S	C	.	.	H	α-helix	trans	-61.6	-44.5	177.7	179.4	177.2	59.9	94.5	-10.3	111.8	E395 E495 S499 F500 A505 Q506	E395-R503 IonicContact OE1-CZ 2.62Å; E395-R503 IonicContact OE1-NH2 3.94Å; E395-R503 PolarHBondContact OE1-NH2 3.34Å; E495-R503 IonicContact OE1-NE 2.67Å; E495-R503 PolarHBondContact OE1-NE 3.3Å; E495-R503 VanDerWaalsContact OE1-NE 3.12Å; E495-R503 IonicContact OE2-CZ 2.76Å; E495-R503 VanDerWaalsContact OE2-CZ 3.27Å; E495-R503 IonicContact OE2-NE 2.62Å; E495-R503 PolarHBondContact OE2-NE 2.89Å; E495-R503 IonicContact OE2-NH2 3.22Å; E495-R503 PolarHBondContact OE2-NH2 3.11Å; S499-R503 WeakPolarHBondContact O-CB 3.42Å; S499-R503 PolarHBondContact O-N 3.26Å; F500-R503 PolarHBondContact O-N 2.99Å; R503-A505 VanDerWaalsContact C-N 3.31Å; R503-A505 PolarHBondContact O-N 3.18Å; R503-Q506 PolarHBondContact O-N 3.29Å
504	R	96.3	Very high	94.6	Very high	28 Å²	28	31.6 Å²	31.6	11%	0.106	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-38.4	176.8	-61.2	-65.9	-85	114	-2.6	111.3	A397 D399 L402 F500 L501 I502 Q506 L507 N508 I511	A397-R504 PolarHBondContact O-NH2 3.3Å; A397-R504 VanDerWaalsContact O-NH2 3.08Å; D399-R504 IonicContact OD1-CZ 3.21Å; D399-R504 IonicContact OD1-NH1 3.1Å; D399-R504 PolarHBondContact OD1-NH1 2.85Å; D399-R504 IonicContact OD1-NH2 3.74Å; D399-R504 PolarHBondContact OD1-NH2 3.17Å; L402-R504 HydrophobicContact CD2-CB 3.97Å; L402-R504 HydrophobicContact CD2-CG 3.93Å; F500-R504 HydrophobicContact CD1-CG 4.43Å; F500-R504 HydrophobicContact CD2-CG 4.1Å; F500-R504 HydrophobicContact CE1-CG 4.04Å; F500-R504 HydrophobicContact CE2-CG 3.66Å; F500-R504 HydrophobicContact CG-CG 4.46Å; F500-R504 HydrophobicContact CZ-CG 3.65Å; F500-R504 WeakPolarHBondContact O-CG 3.26Å; F500-R504 PolarHBondContact O-N 3.44Å; L501-R504 PolarHBondContact O-N 3.3Å; I502-R504 PolarHBondContact O-N 3.3Å; R504-Q506 VanDerWaalsContact C-N 3.32Å; R504-Q506 PolarHBondContact O-N 3.44Å; R504-L507 PolarHBondContact O-N 3.15Å; R504-L507 VanDerWaalsContact O-N 3.11Å; R504-N508 PolarHBondContact O-N 2.99Å; R504-I511 HydrophobicContact CB-CD1 4.31Å; R504-I511 HydrophobicContact CB-CG2 4.45Å
505	A	96.7	Very high	95.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-32.4	174.5	0	0	0	0	0	113.5	L501 I502 R503 L507 I511 A512 L515 L554 F558	L501-A505 WeakPolarHBondContact O-CB 3.44Å; L501-A505 PolarHBondContact O-N 2.72Å; I502-A505 WeakPolarHBondContact O-CB 3.41Å; I502-A505 PolarHBondContact O-N 3.36Å; R503-A505 VanDerWaalsContact C-N 3.31Å; R503-A505 PolarHBondContact O-N 3.18Å; A505-L507 PolarHBondContact O-N 3.37Å; A505-I511 HydrophobicContact CB-CG2 4.11Å; A505-A512 HydrophobicContact CB-CB 4.16Å; A505-L515 HydrophobicContact CB-CD2 3.75Å; A505-L554 HydrophobicContact CB-CD1 3.91Å; A505-F558 HydrophobicContact CB-CE1 4.33Å; A505-F558 HydrophobicContact CB-CZ 4.05Å
506	Q	95.8	Very high	96.2	Very high	63 Å²	63	22.7 Å²	22.7	29%	0.294	11%	0.106	S	C	.	.	H	α-helix	trans	-67.9	-16.5	174	-71.1	178.4	-60.3	0	0	113.6	I502 R503 R504 A557 F558 W568	I502-Q506 WeakPolarHBondContact O-CG 3.42Å; I502-Q506 PolarHBondContact O-N 3Å; R503-Q506 PolarHBondContact O-N 3.29Å; R504-Q506 VanDerWaalsContact C-N 3.32Å; R504-Q506 PolarHBondContact O-N 3.44Å; Q506-A557 HydrophobicContact CG-CB 4.48Å; Q506-A557 PolarHBondContact NE2-O 3.49Å; Q506-F558 HydrophobicContact CB-CE1 4.5Å; Q506-F558 HydrophobicContact CG-CD1 3.99Å; Q506-F558 HydrophobicContact CG-CE1 3.86Å; Q506-W568 WeakPolarHBondContact O-CZ3 3.22Å
507	L	95.3	Very high	96.5	Very high	122 Å²	122	22.3 Å²	22.3	64%	0.639	10%	0.103	S	C	*	.	H	α-helix	trans	-101.3	-27.7	-177.8	-60.8	175.5	0	0	0	113	R504 A505	R504-L507 PolarHBondContact O-N 3.15Å; R504-L507 VanDerWaalsContact O-N 3.11Å; A505-L507 PolarHBondContact O-N 3.37Å
508	N	96.2	Very high	96.6	Very high	28 Å²	28	23 Å²	23	15%	0.15	11%	0.106	C	C	.	.			trans	-135.8	120.7	-176.1	-175.3	-50.7	0	0	0	111.3	D399 R504 R510 I511 A512	D399-N508 WeakPolarHBondContact CB-ND2 3.4Å; D399-N508 VanDerWaalsContact CG-ND2 3.35Å; D399-N508 PolarHBondContact OD2-ND2 2.84Å; R504-N508 PolarHBondContact O-N 2.99Å; N508-R510 VanDerWaalsContact C-N 3.34Å; N508-R510 PolarHBondContact O-N 2.99Å; N508-R510 WeakPolarHBondContact OD1-CA 3.46Å; N508-R510 VanDerWaalsContact OD1-CB 3.29Å; N508-R510 WeakPolarHBondContact OD1-CB 3.44Å; N508-R510 PolarHBondContact OD1-N 3.26Å; N508-I511 HydrophobicContact CB-CB 4.4Å; N508-I511 HydrophobicContact CB-CD1 4.01Å; N508-I511 HydrophobicContact CB-CG1 4.25Å; N508-I511 PolarHBondContact O-N 2.86Å; N508-I511 PolarHBondContact OD1-N 2.89Å; N508-A512 PolarHBondContact O-N 3.31Å
509	F	96.5	Very high	96.5	Very high	24 Å²	24	23 Å²	23	11%	0.105	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-31.3	-177.7	-174.9	-104.3	0	0	0	113.9	I511 A512 N513 W568 L572 P624 P629	F509-I511 VanDerWaalsContact C-N 3.33Å; F509-I511 PolarHBondContact O-N 3.41Å; F509-A512 HydrophobicContact CD2-CB 4.33Å; F509-A512 WeakPolarHBondContact O-CB 3.28Å; F509-A512 PolarHBondContact O-N 2.73Å; F509-N513 HydrophobicContact CE1-CB 4.19Å; F509-N513 HydrophobicContact CZ-CB 4.42Å; F509-N513 VanDerWaalsContact O-CB 3.31Å; F509-N513 WeakPolarHBondContact O-CB 3.5Å; F509-N513 PolarHBondContact O-N 2.98Å; F509-W568 HydrophobicContact CB-CD2 4.14Å; F509-W568 HydrophobicContact CB-CH2 4.16Å; F509-W568 HydrophobicContact CB-CZ2 3.71Å; F509-W568 HydrophobicContact CD2-CB 3.76Å; F509-W568 AromaticContact CD2-CD1 3.36Å; F509-W568 AromaticContact CD2-CD2 3.54Å; F509-W568 HydrophobicContact CD2-CD2 3.54Å; F509-W568 AromaticContact CD2-CE2 3.77Å; F509-W568 HydrophobicContact CD2-CE3 4.19Å; F509-W568 AromaticContact CD2-CG 3.3Å; F509-W568 HydrophobicContact CD2-CG 3.3Å; F509-W568 AromaticContact CD2-NE1 3.64Å; F509-W568 HydrophobicContact CE2-CB 3.77Å; F509-W568 AromaticContact CE2-CD1 3.77Å; F509-W568 HydrophobicContact CE2-CD2 4.44Å; F509-W568 AromaticContact CE2-CG 3.76Å; F509-W568 HydrophobicContact CE2-CG 3.76Å; F509-W568 HydrophobicContact CG-CD2 4.26Å; F509-W568 HydrophobicContact CG-CG 4.32Å; F509-W568 AromaticContact CG-NE1 3.96Å; F509-L572 HydrophobicContact CE2-CD2 4.39Å; F509-L572 HydrophobicContact CE2-CG 4.4Å; F509-L572 HydrophobicContact CZ-CD2 4.37Å; F509-P624 HydrophobicContact CD1-CB 4.39Å; F509-P624 HydrophobicContact CD1-CG 4.19Å; F509-P624 HydrophobicContact CE1-CB 3.43Å; F509-P624 VanDerWaalsContact CE1-CB 3.43Å; F509-P624 HydrophobicContact CE1-CG 3.41Å; F509-P624 VanDerWaalsContact CE1-CG 3.41Å; F509-P624 HydrophobicContact CZ-CB 3.99Å; F509-P624 HydrophobicContact CZ-CG 3.77Å; F509-P629 HydrophobicContact CD1-CB 4.03Å; F509-P629 HydrophobicContact CE1-CB 3.93Å
510	R	97.2	Very high	96.5	Very high	52 Å²	52	24 Å²	24	20%	0.196	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-43.6	177	-60	-179.6	52.2	-160.5	-13.8	110.3	E400 I403 N508 N513 Y514 P629 D630	E400-R510 IonicContact OE1-CZ 3.61Å; E400-R510 IonicContact OE1-NH1 3.73Å; E400-R510 PolarHBondContact OE1-NH1 2.6Å; E400-R510 IonicContact OE1-NH2 3.5Å; E400-R510 IonicContact OE2-CZ 3.44Å; E400-R510 VanDerWaalsContact OE2-CZ 3.25Å; E400-R510 IonicContact OE2-NH1 2.8Å; E400-R510 PolarHBondContact OE2-NH1 2.72Å; E400-R510 IonicContact OE2-NH2 3.61Å; E400-R510 PolarHBondContact OE2-NH2 3.42Å; I403-R510 HydrophobicContact CD1-CB 3.8Å; N508-R510 VanDerWaalsContact C-N 3.34Å; N508-R510 PolarHBondContact O-N 2.99Å; N508-R510 WeakPolarHBondContact OD1-CA 3.46Å; N508-R510 VanDerWaalsContact OD1-CB 3.29Å; N508-R510 WeakPolarHBondContact OD1-CB 3.44Å; N508-R510 PolarHBondContact OD1-N 3.26Å; R510-N513 PolarHBondContact O-N 2.92Å; R510-Y514 WeakPolarHBondContact O-CD2 3.39Å; R510-Y514 PolarHBondContact O-N 2.96Å; R510-P629 HydrophobicContact CB-CG 4.05Å; R510-P629 HydrophobicContact CG-CB 4.39Å; R510-P629 HydrophobicContact CG-CG 3.82Å; R510-D630 WeakPolarHBondContact CD-OD1 3.36Å; R510-D630 IonicContact NE-OD1 3.69Å; R510-D630 IonicContact NE-OD2 3.19Å
511	I	97.5	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-46.3	173.1	-63.7	172.5	0	0	0	110	D399 L402 I403 L406 R504 A505 N508 F509 N513 Y514 L515	D399-I511 HydrophobicContact CB-CD1 3.94Å; L402-I511 HydrophobicContact CD2-CD1 3.91Å; I403-I511 HydrophobicContact CD1-CG1 4.2Å; I403-I511 HydrophobicContact CG1-CG1 3.91Å; L406-I511 HydrophobicContact CD2-CG2 4.46Å; R504-I511 HydrophobicContact CB-CD1 4.31Å; R504-I511 HydrophobicContact CB-CG2 4.45Å; A505-I511 HydrophobicContact CB-CG2 4.11Å; N508-I511 HydrophobicContact CB-CB 4.4Å; N508-I511 HydrophobicContact CB-CD1 4.01Å; N508-I511 HydrophobicContact CB-CG1 4.25Å; N508-I511 PolarHBondContact O-N 2.86Å; N508-I511 PolarHBondContact OD1-N 2.89Å; F509-I511 VanDerWaalsContact C-N 3.33Å; F509-I511 PolarHBondContact O-N 3.41Å; I511-N513 PolarHBondContact O-N 2.96Å; I511-Y514 PolarHBondContact O-N 2.8Å; I511-L515 WeakPolarHBondContact O-CB 3.28Å; I511-L515 PolarHBondContact O-N 3.1Å
512	A	97.4	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.5	-47.8	177.4	0	0	0	0	0	113.1	A505 N508 F509 Y516 F558	A505-A512 HydrophobicContact CB-CB 4.16Å; N508-A512 PolarHBondContact O-N 3.31Å; F509-A512 HydrophobicContact CD2-CB 4.33Å; F509-A512 WeakPolarHBondContact O-CB 3.28Å; F509-A512 PolarHBondContact O-N 2.73Å; A512-Y516 VanDerWaalsContact O-CB 3.22Å; A512-Y516 WeakPolarHBondContact O-CB 3.39Å; A512-Y516 PolarHBondContact O-N 3.46Å; A512-F558 HydrophobicContact CB-CE1 4.49Å; A512-F558 HydrophobicContact CB-CE2 3.99Å; A512-F558 HydrophobicContact CB-CZ 3.49Å; A512-F558 VanDerWaalsContact CB-CZ 3.49Å
513	N	97.9	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-56.3	-179.7	178.2	85	0	0	0	111.1	F509 R510 I511 Y516 W517 L572 Q575 P626 P629	F509-N513 HydrophobicContact CE1-CB 4.19Å; F509-N513 HydrophobicContact CZ-CB 4.42Å; F509-N513 VanDerWaalsContact O-CB 3.31Å; F509-N513 WeakPolarHBondContact O-CB 3.5Å; F509-N513 PolarHBondContact O-N 2.98Å; R510-N513 PolarHBondContact O-N 2.92Å; I511-N513 PolarHBondContact O-N 2.96Å; N513-Y516 PolarHBondContact O-N 3.18Å; N513-W517 PolarHBondContact O-N 2.84Å; N513-W517 VanDerWaalsContact O-N 3.16Å; N513-L572 HydrophobicContact CB-CD2 4.5Å; N513-Q575 PolarHBondContact OD1-NE2 2.91Å; N513-Q575 PolarHBondContact OD1-OE1 3.46Å; N513-Q575 VanDerWaalsContact OD1-OE1 3.12Å; N513-P626 PolarHBondContact ND2-O 3.33Å; N513-P629 HydrophobicContact CB-CB 4.11Å; N513-P629 HydrophobicContact CB-CG 4.41Å
514	Y	97.7	Very high	94.9	Very high	26 Å²	26	22.4 Å²	22.4	10%	0.102	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-40.4	-178.1	-64.7	-52.7	0	0	0	112.6	I403 R510 I511 Y516 W517 F518 L627 P629 L705	I403-Y514 HydrophobicContact CG2-CD2 4.08Å; I403-Y514 HydrophobicContact CG2-CE2 4.07Å; R510-Y514 WeakPolarHBondContact O-CD2 3.39Å; R510-Y514 PolarHBondContact O-N 2.96Å; I511-Y514 PolarHBondContact O-N 2.8Å; Y514-Y516 VanDerWaalsContact C-N 3.3Å; Y514-Y516 PolarHBondContact O-N 3.49Å; Y514-W517 PolarHBondContact O-N 3.2Å; Y514-F518 WeakPolarHBondContact O-CB 3.5Å; Y514-F518 VanDerWaalsContact O-CD2 3.28Å; Y514-F518 WeakPolarHBondContact O-CD2 3.47Å; Y514-F518 WeakPolarHBondContact O-CG 3.43Å; Y514-F518 PolarHBondContact O-N 3.49Å; Y514-L627 PolarHBondContact OH-O 2.99Å; Y514-P629 HydrophobicContact CE2-CG 4.27Å; Y514-P629 WeakPolarHBondContact OH-CD 3.11Å; Y514-L705 HydrophobicContact CD1-CD1 4.39Å
515	L	97.9	Very high	93.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-43.2	176.4	-179.6	62.9	0	0	0	111.3	L406 V410 L501 A505 I511 L519 L554	L406-L515 HydrophobicContact CD1-CD1 4.36Å; L406-L515 HydrophobicContact CD2-CB 4.4Å; V410-L515 HydrophobicContact CG2-CD1 3.59Å; L501-L515 HydrophobicContact CB-CD1 4.29Å; L501-L515 HydrophobicContact CB-CD2 4.05Å; L501-L515 HydrophobicContact CD1-CD1 4.33Å; A505-L515 HydrophobicContact CB-CD2 3.75Å; I511-L515 WeakPolarHBondContact O-CB 3.28Å; I511-L515 PolarHBondContact O-N 3.1Å; L515-L519 HydrophobicContact CD1-CD1 3.86Å; L515-L519 HydrophobicContact CD1-CG 4Å; L515-L519 HydrophobicContact CG-CD1 3.84Å; L515-L519 HydrophobicContact CG-CG 4.38Å; L515-L519 WeakPolarHBondContact O-CB 3.44Å; L515-L519 VanDerWaalsContact O-CG 3.26Å; L515-L519 WeakPolarHBondContact O-CG 3.15Å; L515-L519 PolarHBondContact O-N 2.89Å; L515-L554 HydrophobicContact CD2-CD1 3.98Å; L515-L554 HydrophobicContact CD2-CD2 4.24Å; L515-L554 HydrophobicContact CG-CD2 4.18Å
516	Y	97.8	Very high	91.5	Very high	4 Å²	4	24 Å²	24	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-51.6	176.1	174.3	-100.5	0	0	0	111.7	A512 N513 Y514 L519 R520 L551 L555 L572 T576	A512-Y516 VanDerWaalsContact O-CB 3.22Å; A512-Y516 WeakPolarHBondContact O-CB 3.39Å; A512-Y516 PolarHBondContact O-N 3.46Å; N513-Y516 PolarHBondContact O-N 3.18Å; Y514-Y516 VanDerWaalsContact C-N 3.3Å; Y514-Y516 PolarHBondContact O-N 3.49Å; Y516-L519 PolarHBondContact O-N 3.21Å; Y516-R520 WeakPolarHBondContact O-CB 3.32Å; Y516-R520 PolarHBondContact O-N 3.41Å; Y516-R520 PolarHBondContact OH-NH1 3.38Å; Y516-L551 HydrophobicContact CD2-CD1 3.74Å; Y516-L551 HydrophobicContact CE2-CD1 3.89Å; Y516-L555 HydrophobicContact CD2-CD2 4.15Å; Y516-L555 HydrophobicContact CE2-CD2 3.85Å; Y516-L572 HydrophobicContact CD1-CB 4.34Å; Y516-L572 HydrophobicContact CD1-CD2 4.03Å; Y516-L572 HydrophobicContact CD2-CD1 4.35Å; Y516-L572 HydrophobicContact CE1-CB 4.39Å; Y516-L572 HydrophobicContact CG-CB 4.45Å; Y516-L572 HydrophobicContact CG-CD1 4.16Å; Y516-L572 HydrophobicContact CG-CD2 4.14Å; Y516-L572 HydrophobicContact CG-CG 4.49Å; Y516-T576 WeakPolarHBondContact CE1-OG1 3.37Å; Y516-T576 PolarHBondContact OH-OG1 3Å
517	W	96.8	Very high	89.4	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-65.8	-39.3	-178.4	-76.2	110.1	0	0	0	112.6	N513 Y514 R520 L521 Q575 I579 P626 L705 T707	N513-W517 PolarHBondContact O-N 2.84Å; N513-W517 VanDerWaalsContact O-N 3.16Å; Y514-W517 PolarHBondContact O-N 3.2Å; W517-R520 PolarHBondContact O-N 3.37Å; W517-L521 VanDerWaalsContact O-CB 3.27Å; W517-L521 WeakPolarHBondContact O-CB 3.46Å; W517-L521 PolarHBondContact O-N 2.95Å; W517-Q575 HydrophobicContact CZ2-CB 4.07Å; W517-I579 HydrophobicContact CH2-CB 4.04Å; W517-I579 HydrophobicContact CH2-CG1 3.76Å; W517-I579 HydrophobicContact CH2-CG2 4.34Å; W517-I579 HydrophobicContact CZ2-CG1 4.05Å; W517-P626 HydrophobicContact CZ2-CB 3.93Å; W517-P626 HydrophobicContact CZ2-CG 3.72Å; W517-L705 HydrophobicContact CB-CD1 4.06Å; W517-L705 HydrophobicContact CB-CD2 4.3Å; W517-L705 HydrophobicContact CD2-CD2 4.41Å; W517-L705 HydrophobicContact CG-CD2 3.98Å; W517-T707 HydrophobicContact CD2-CG2 4.48Å; W517-T707 HydrophobicContact CE3-CG2 3.93Å; W517-T707 HydrophobicContact CH2-CG2 4.31Å; W517-T707 HydrophobicContact CZ3-CG2 3.84Å
518	F	96	Very high	87	Confident	14 Å²	14	22.4 Å²	22.4	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-45.8	176.5	-60.9	-21	0	0	0	112.4	L406 Y407 V410 Y514 R520 L521 E522 L705	L406-F518 HydrophobicContact CB-CE2 4.18Å; L406-F518 HydrophobicContact CD2-CD2 4.31Å; L406-F518 HydrophobicContact CD2-CE2 4.08Å; L406-F518 HydrophobicContact CG-CD2 4.06Å; L406-F518 HydrophobicContact CG-CE2 4Å; Y407-F518 HydrophobicContact CD2-CB 4.02Å; Y407-F518 AromaticContact CD2-CD1 3.87Å; Y407-F518 HydrophobicContact CD2-CD1 3.87Å; Y407-F518 AromaticContact CD2-CD2 3.96Å; Y407-F518 HydrophobicContact CD2-CD2 3.96Å; Y407-F518 HydrophobicContact CD2-CE1 4.34Å; Y407-F518 HydrophobicContact CD2-CE2 4.4Å; Y407-F518 AromaticContact CD2-CG 3.67Å; Y407-F518 HydrophobicContact CD2-CG 3.67Å; Y407-F518 HydrophobicContact CE2-CB 4.43Å; Y407-F518 HydrophobicContact CE2-CD1 4.39Å; Y407-F518 HydrophobicContact CE2-CG 4.39Å; Y407-F518 HydrophobicContact CG-CD2 4.46Å; Y407-F518 HydrophobicContact CG-CE2 4.49Å; V410-F518 HydrophobicContact CB-CB 4.42Å; V410-F518 HydrophobicContact CG1-CB 4.2Å; V410-F518 HydrophobicContact CG2-CB 4.1Å; V410-F518 HydrophobicContact CG2-CD2 4.39Å; Y514-F518 WeakPolarHBondContact O-CB 3.5Å; Y514-F518 VanDerWaalsContact O-CD2 3.28Å; Y514-F518 WeakPolarHBondContact O-CD2 3.47Å; Y514-F518 WeakPolarHBondContact O-CG 3.43Å; Y514-F518 PolarHBondContact O-N 3.49Å; F518-R520 PolarHBondContact O-N 3.35Å; F518-L521 PolarHBondContact O-N 2.76Å; F518-E522 WeakPolarHBondContact O-CG 3.15Å; F518-E522 PolarHBondContact O-N 3.13Å; F518-E522 VanDerWaalsContact O-N 3.16Å; F518-L705 HydrophobicContact CD1-CD1 4.47Å; F518-L705 HydrophobicContact CE1-CD1 3.89Å
519	L	95.1	Very high	84.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-41.8	176.2	-72.8	172.4	0	0	0	111.7	V410 L413 L515 Y516 E522 A523 Y547 V550 L551 L554	V410-L519 HydrophobicContact CG1-CD2 4.08Å; L413-L519 HydrophobicContact CD1-CD2 4.1Å; L515-L519 HydrophobicContact CD1-CD1 3.86Å; L515-L519 HydrophobicContact CD1-CG 4Å; L515-L519 HydrophobicContact CG-CD1 3.84Å; L515-L519 HydrophobicContact CG-CG 4.38Å; L515-L519 WeakPolarHBondContact O-CB 3.44Å; L515-L519 VanDerWaalsContact O-CG 3.26Å; L515-L519 WeakPolarHBondContact O-CG 3.15Å; L515-L519 PolarHBondContact O-N 2.89Å; Y516-L519 PolarHBondContact O-N 3.21Å; L519-E522 PolarHBondContact O-N 2.87Å; L519-A523 WeakPolarHBondContact O-CB 3.11Å; L519-A523 PolarHBondContact O-N 2.98Å; L519-Y547 HydrophobicContact CD2-CD1 3.9Å; L519-Y547 HydrophobicContact CD2-CE1 4.46Å; L519-V550 HydrophobicContact CD1-CG1 3.93Å; L519-V550 HydrophobicContact CD2-CB 4.18Å; L519-V550 HydrophobicContact CD2-CG1 3.83Å; L519-L551 HydrophobicContact CB-CB 4.27Å; L519-L551 HydrophobicContact CB-CD1 4.11Å; L519-L554 HydrophobicContact CD1-CD2 4.03Å
520	R	93.4	Very high	81.3	Confident	46 Å²	46	33.7 Å²	33.7	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-41.9	177.9	-176.8	-177.7	179	115.1	6.2	111.9	Y516 W517 F518 A523 N524 L551 T576	Y516-R520 WeakPolarHBondContact O-CB 3.32Å; Y516-R520 PolarHBondContact O-N 3.41Å; Y516-R520 PolarHBondContact OH-NH1 3.38Å; W517-R520 PolarHBondContact O-N 3.37Å; F518-R520 PolarHBondContact O-N 3.35Å; R520-A523 PolarHBondContact O-N 2.96Å; R520-N524 PolarHBondContact O-N 3.43Å; R520-N524 PolarHBondContact O-ND2 2.98Å; R520-L551 HydrophobicContact CB-CD2 4.35Å; R520-T576 PolarHBondContact NH1-OG1 3.36Å
521	L	91.7	Very high	78	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-48.2	176.7	176.4	146.6	0	0	0	110.9	W517 F518 N524 S525 R674 A706	W517-L521 VanDerWaalsContact O-CB 3.27Å; W517-L521 WeakPolarHBondContact O-CB 3.46Å; W517-L521 PolarHBondContact O-N 2.95Å; F518-L521 PolarHBondContact O-N 2.76Å; L521-N524 PolarHBondContact O-N 3.21Å; L521-S525 PolarHBondContact O-N 3.02Å; L521-S525 PolarHBondContact O-OG 3.44Å; L521-S525 VanDerWaalsContact O-OG 3.06Å; L521-R674 HydrophobicContact CD1-CG 3.84Å; L521-R674 VanDerWaalsContact CD2-CD 3.48Å; L521-R674 HydrophobicContact CD2-CG 4.22Å; L521-A706 HydrophobicContact CD1-CB 3.46Å; L521-A706 VanDerWaalsContact CD1-CB 3.46Å; L521-A706 VanDerWaalsContact CD1-O 3.28Å; L521-A706 WeakPolarHBondContact CD1-O 3.47Å
522	E	90.3	Very high	75	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-74.6	-27.2	-178.3	-63.4	-59	159	0	0	113.6	Y407 Q411 R414 F518 L519 S525 N539 Y547	Y407-E522 PolarHBondContact OH-OE1 3.43Å; Q411-E522 PolarHBondContact NE2-OE1 2.97Å; R414-E522 IonicContact NH2-OE2 3.93Å; R414-E522 PolarHBondContact NH2-OE2 2.87Å; F518-E522 WeakPolarHBondContact O-CG 3.15Å; F518-E522 PolarHBondContact O-N 3.13Å; F518-E522 VanDerWaalsContact O-N 3.16Å; L519-E522 PolarHBondContact O-N 2.87Å; E522-S525 WeakPolarHBondContact CA-OG 3.28Å; E522-S525 PolarHBondContact O-OG 2.81Å; E522-N539 PolarHBondContact O-ND2 2.91Å; E522-N539 PolarHBondContact OE2-ND2 3.12Å; E522-Y547 HydrophobicContact CB-CD1 3.98Å; E522-Y547 HydrophobicContact CB-CD2 3.59Å; E522-Y547 HydrophobicContact CB-CE1 4.12Å; E522-Y547 HydrophobicContact CB-CE2 3.73Å; E522-Y547 HydrophobicContact CB-CG 3.72Å; E522-Y547 HydrophobicContact CG-CE1 4.36Å; E522-Y547 HydrophobicContact CG-CE2 4.24Å
523	A	88.2	Confident	71.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.2	-33.2	175.4	0	0	0	0	0	112.7	L519 R520 K548 L551	L519-A523 WeakPolarHBondContact O-CB 3.11Å; L519-A523 PolarHBondContact O-N 2.98Å; R520-A523 PolarHBondContact O-N 2.96Å; A523-K548 HydrophobicContact CB-CG 3.69Å; A523-K548 WeakPolarHBondContact O-CE 3.4Å; A523-L551 HydrophobicContact CB-CD2 4.37Å
524	N	80.9	Confident	68.8	Low	54 Å²	54	60.3 Å²	60.3	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	-111.8	16.4	-170.7	-60.9	-20.6	0	0	0	113.7	R520 L521 N526 D527	R520-N524 PolarHBondContact O-N 3.43Å; R520-N524 PolarHBondContact O-ND2 2.98Å; L521-N524 PolarHBondContact O-N 3.21Å; N524-N526 PolarHBondContact O-N 3.38Å; N524-D527 PolarHBondContact O-N 3.48Å; N524-D527 VanDerWaalsContact O-N 3.14Å
525	S	64.6	Low	65.7	Low	5 Å²	5	67.5 Å²	67.5	4%	0.035	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.1	-172.2	-45	0	0	0	0	115.6	L521 E522 N539 N709	L521-S525 PolarHBondContact O-N 3.02Å; L521-S525 PolarHBondContact O-OG 3.44Å; L521-S525 VanDerWaalsContact O-OG 3.06Å; E522-S525 WeakPolarHBondContact CA-OG 3.28Å; E522-S525 PolarHBondContact O-OG 2.81Å; S525-N539 PolarHBondContact OG-ND2 2.92Å; S525-N539 VanDerWaalsContact OG-ND2 3.11Å; S525-N709 PolarHBondContact O-ND2 3.46Å
526	N	57.3	Low	62.9	Low	58 Å²	58	73.3 Å²	73.3	31%	0.31	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	5.8	-178.9	-65	0.4	0	0	0	114.4	N524 G528 Q544	N524-N526 PolarHBondContact O-N 3.38Å; N526-G528 PolarHBondContact O-N 3.01Å; N526-Q544 PolarHBondContact ND2-NE2 3.22Å; N526-Q544 PolarHBondContact OD1-NE2 3.22Å
527	D	52.6	Low	60.5	Low	115 Å²	115	76.6 Å²	76.6	62%	0.615	40%	0.396	S	S	*	.			trans	-78.2	36	-175.9	-69.1	-25.3	0	0	0	113.6	N524	N524-D527 PolarHBondContact O-N 3.48Å; N524-D527 VanDerWaalsContact O-N 3.14Å
528	G	43.1	Very low	58.8	Low	36 Å²	36	78 Å²	78	37%	0.371	41%	0.405	S	S	.	.			trans	-99.2	122.6	175.2	0	0	0	0	0	111.8	N526 D530	N526-G528 PolarHBondContact O-N 3.01Å; G528-D530 PolarHBondContact O-N 3.28Å
529	E	38.3	Very low	57.4	Low	201 Å²	201	77.4 Å²	77.4	94%	0.939	40%	0.402	S	S	*	.			trans	-66.7	18.7	178.6	-68.9	-177	143.5	0	0	115.4
530	D	35.5	Very low	56.4	Low	88 Å²	88	79.9 Å²	79.9	47%	0.471	42%	0.42	S	S	.	.			trans	-106.8	120.4	-177	-63.1	-42.4	0	0	0	112	G528 F532 R710	G528-D530 PolarHBondContact O-N 3.28Å; D530-F532 VanDerWaalsContact C-N 3.28Å; D530-F532 HydrophobicContact CB-CD2 4.21Å; D530-F532 PolarHBondContact O-N 3.28Å; D530-R710 IonicContact OD2-CZ 3.11Å; D530-R710 IonicContact OD2-NH1 3.82Å; D530-R710 PolarHBondContact OD2-NH1 3.41Å; D530-R710 IonicContact OD2-NH2 2.54Å; D530-R710 PolarHBondContact OD2-NH2 3.37Å
531	D	28.2	Very low	55.7	Low	170 Å²	170	81.6 Å²	81.6	91%	0.909	44%	0.437	S	S	*	.			trans	-67.7	68.3	-178.3	-145.1	11.1	0	0	0	111.9
532	F	33.7	Very low	55.3	Low	176 Å²	176	85.4 Å²	85.4	77%	0.772	46%	0.457	S	S	*	.			trans	-119.5	132.5	171.4	-74.8	-83.2	0	0	0	111.3	D530	D530-F532 VanDerWaalsContact C-N 3.28Å; D530-F532 HydrophobicContact CB-CD2 4.21Å; D530-F532 PolarHBondContact O-N 3.28Å
533	S	29.9	Very low	55.1	Low	71 Å²	71	86.1 Å²	86.1	50%	0.497	46%	0.461	S	S	.	.			trans	-17.6	138.5	-175.9	44.7	0	0	0	0	118.8	Q535 D536	S533-Q535 PolarHBondContact O-N 3.43Å; S533-D536 PolarHBondContact O-N 3.23Å
534	E	34.8	Very low	55	Low	194 Å²	194	87.1 Å²	87.1	91%	0.907	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-3	170.7	-74.1	-177.5	141.9	0	0	116.5
535	Q	34.3	Very low	55.5	Low	176 Å²	176	90.2 Å²	90.2	82%	0.822	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-14.9	-177.9	-70.2	176.5	-2.3	0	0	114.2	S533	S533-Q535 PolarHBondContact O-N 3.43Å
536	D	38.6	Very low	56.8	Low	124 Å²	124	90 Å²	90	66%	0.663	48%	0.476	S	S	*	.			trans	-105.1	23.8	-177.5	-71.2	-36.7	0	0	0	114.1	S533 V538	S533-D536 PolarHBondContact O-N 3.23Å; D536-V538 PolarHBondContact O-N 3.47Å; D536-V538 VanDerWaalsContact O-N 3.12Å
537	T	47.8	Very low	58.6	Low	73 Å²	73	87.2 Å²	87.2	45%	0.448	46%	0.461	S	S	.	.			trans	-73.2	106.7	172.3	57	0	0	0	0	110.4	N539	T537-N539 PolarHBondContact O-N 3.11Å
538	V	60.2	Low	60.5	Low	33 Å²	33	85.6 Å²	85.6	20%	0.2	45%	0.448	C	S	.	.	S	Bend	trans	-52.4	-40.1	178.6	176.2	0	0	0	0	112.1	D536 R674 T857	D536-V538 PolarHBondContact O-N 3.47Å; D536-V538 VanDerWaalsContact O-N 3.12Å; V538-R674 VanDerWaalsContact CG1-NH1 3.31Å; V538-T857 WeakPolarHBondContact CG1-O 3.34Å
539	N	66.6	Low	62.9	Low	1 Å²	1	85.4 Å²	85.4	1%	0.005	44%	0.437	C	S	.	.	S	Bend	trans	-125.6	136.7	179.9	-69.8	-21.3	0	0	0	110.4	R414 E522 S525 T537 Q544	R414-N539 PolarHBondContact NH1-OD1 3.18Å; R414-N539 PolarHBondContact NH2-ND2 3.19Å; R414-N539 PolarHBondContact NH2-OD1 2.93Å; E522-N539 PolarHBondContact O-ND2 2.91Å; E522-N539 PolarHBondContact OE2-ND2 3.12Å; S525-N539 PolarHBondContact OG-ND2 2.92Å; S525-N539 VanDerWaalsContact OG-ND2 3.11Å; T537-N539 PolarHBondContact O-N 3.11Å; N539-Q544 HydrophobicContact CB-CG 3.64Å
540	S	73.9	Confident	65.7	Low	52 Å²	52	76 Å²	76	36%	0.364	39%	0.394	S	S	.	.			trans	-60.4	149.5	170.3	82.9	0	0	0	0	110.3	D542 T543 Q544	S540-D542 PolarHBondContact O-N 3.13Å; S540-D542 VanDerWaalsContact O-N 3.11Å; S540-T543 WeakPolarHBondContact O-CB 3.44Å; S540-T543 PolarHBondContact O-N 2.65Å; S540-T543 WeakPolarHBondContact OG-CB 3.33Å; S540-T543 PolarHBondContact OG-N 2.74Å; S540-T543 VanDerWaalsContact OG-N 3.15Å; S540-T543 PolarHBondContact OG-OG1 2.86Å; S540-Q544 PolarHBondContact O-N 3.15Å
541	P	80.1	Confident	68.5	Low	82 Å²	82	72.6 Å²	72.6	53%	0.532	38%	0.375	S	S	.	.	H	α-helix	trans	-54.3	-33.1	178.6	-27.7	34.8	0	0	0	113.6	K545	P541-K545 WeakPolarHBondContact O-CG 3.48Å; P541-K545 PolarHBondContact O-N 3Å; P541-K545 VanDerWaalsContact O-N 3.16Å
542	D	82.7	Confident	71.7	Confident	85 Å²	85	68.7 Å²	68.7	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-76.5	-36.8	179	-64.2	-37.1	0	0	0	112.4	W418 S540 Q544 K545 M546	W418-D542 HydrophobicContact CH2-CB 4.47Å; W418-D542 HydrophobicContact CZ3-CB 3.81Å; S540-D542 PolarHBondContact O-N 3.13Å; S540-D542 VanDerWaalsContact O-N 3.11Å; D542-Q544 VanDerWaalsContact C-N 3.32Å; D542-Q544 PolarHBondContact O-N 3.41Å; D542-K545 WeakPolarHBondContact O-CB 3.45Å; D542-K545 PolarHBondContact O-N 2.94Å; D542-K545 IonicContact OD1-NZ 2.66Å; D542-K545 PolarHBondContact OD1-NZ 3.06Å; D542-M546 PolarHBondContact O-N 3.37Å
543	T	85.6	Confident	74.6	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.086	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-41	171.7	-52.9	0	0	0	0	111.3	R414 S540 M546 Y547	R414-T543 HydrophobicContact CG-CG2 4.06Å; S540-T543 WeakPolarHBondContact O-CB 3.44Å; S540-T543 PolarHBondContact O-N 2.65Å; S540-T543 WeakPolarHBondContact OG-CB 3.33Å; S540-T543 PolarHBondContact OG-N 2.74Å; S540-T543 VanDerWaalsContact OG-N 3.15Å; S540-T543 PolarHBondContact OG-OG1 2.86Å; T543-M546 HydrophobicContact CG2-CE 4.43Å; T543-M546 WeakPolarHBondContact O-CB 3.27Å; T543-M546 PolarHBondContact O-N 3.39Å; T543-Y547 HydrophobicContact CG2-CD2 3.87Å; T543-Y547 HydrophobicContact CG2-CE2 3.57Å; T543-Y547 VanDerWaalsContact O-CD2 3.3Å; T543-Y547 WeakPolarHBondContact O-CD2 3.47Å; T543-Y547 PolarHBondContact O-N 3.09Å
544	Q	86.7	Confident	77.8	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-40.2	175.3	-70	-178.6	-10.7	0	0	112.6	N526 N539 S540 D542 M546 Y547 K548	N526-Q544 PolarHBondContact ND2-NE2 3.22Å; N526-Q544 PolarHBondContact OD1-NE2 3.22Å; N539-Q544 HydrophobicContact CB-CG 3.64Å; S540-Q544 PolarHBondContact O-N 3.15Å; D542-Q544 VanDerWaalsContact C-N 3.32Å; D542-Q544 PolarHBondContact O-N 3.41Å; Q544-M546 VanDerWaalsContact C-N 3.27Å; Q544-M546 PolarHBondContact O-N 2.81Å; Q544-Y547 PolarHBondContact O-N 2.66Å; Q544-K548 WeakPolarHBondContact O-CB 3.41Å; Q544-K548 WeakPolarHBondContact O-CG 3.37Å; Q544-K548 PolarHBondContact O-N 3.4Å
545	K	90.3	Very high	80.6	Confident	119 Å²	119	50.1 Å²	50.1	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-40.5	174	-71.4	170.2	-161.8	158.3	0	111.3	P541 D542 H549	P541-K545 WeakPolarHBondContact O-CG 3.48Å; P541-K545 PolarHBondContact O-N 3Å; P541-K545 VanDerWaalsContact O-N 3.16Å; D542-K545 WeakPolarHBondContact O-CB 3.45Å; D542-K545 PolarHBondContact O-N 2.94Å; D542-K545 IonicContact OD1-NZ 2.66Å; D542-K545 PolarHBondContact OD1-NZ 3.06Å; K545-H549 WeakPolarHBondContact O-CB 3.31Å; K545-H549 PolarHBondContact O-N 3.24Å
546	M	92.8	Very high	83.4	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-52.3	175.3	-179.6	-75.7	-65.1	0	0	111	L413 W418 I421 F422 D542 T543 Q544 K548 H549 V550	L413-M546 HydrophobicContact CB-CE 3.89Å; L413-M546 HydrophobicContact CB-SD 4.03Å; W418-M546 HydrophobicContact CD2-CB 4.46Å; W418-M546 HydrophobicContact CD2-CG 4.44Å; W418-M546 HydrophobicContact CG-CG 4.24Å; I421-M546 HydrophobicContact CD1-CG 4.35Å; I421-M546 HydrophobicContact CD1-SD 4.35Å; I421-M546 HydrophobicContact CG2-CG 4.37Å; F422-M546 HydrophobicContact CZ-CB 3.95Å; D542-M546 PolarHBondContact O-N 3.37Å; T543-M546 HydrophobicContact CG2-CE 4.43Å; T543-M546 WeakPolarHBondContact O-CB 3.27Å; T543-M546 PolarHBondContact O-N 3.39Å; Q544-M546 VanDerWaalsContact C-N 3.27Å; Q544-M546 PolarHBondContact O-N 2.81Å; M546-K548 PolarHBondContact O-N 2.62Å; M546-H549 WeakPolarHBondContact O-CB 3.47Å; M546-H549 PolarHBondContact O-N 2.76Å; M546-H549 VanDerWaalsContact O-N 3.09Å; M546-V550 WeakPolarHBondContact O-CG2 3.45Å; M546-V550 PolarHBondContact O-N 3.49Å; M546-V550 HydrophobicContact SD-CG2 3.9Å
547	Y	94.3	Very high	86	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-43.4	178.2	-76.3	-60.7	0	0	0	113.1	V410 Q411 L413 R414 L519 E522 T543 Q544 H549 V550 L551	V410-Y547 HydrophobicContact CG1-CE1 3.86Å; V410-Y547 WeakPolarHBondContact O-CE1 3.34Å; V410-Y547 PolarHBondContact O-OH 3.35Å; Q411-Y547 PolarHBondContact OE1-OH 2.75Å; L413-Y547 HydrophobicContact CB-CE1 4.27Å; L413-Y547 HydrophobicContact CD1-CE1 4.25Å; R414-Y547 HydrophobicContact CG-CE2 4.23Å; R414-Y547 VanDerWaalsContact CG-OH 3.31Å; R414-Y547 WeakPolarHBondContact CG-OH 3.22Å; R414-Y547 PolarHBondContact NE-OH 2.85Å; R414-Y547 VanDerWaalsContact NE-OH 3.16Å; L519-Y547 HydrophobicContact CD2-CD1 3.9Å; L519-Y547 HydrophobicContact CD2-CE1 4.46Å; E522-Y547 HydrophobicContact CB-CD1 3.98Å; E522-Y547 HydrophobicContact CB-CD2 3.59Å; E522-Y547 HydrophobicContact CB-CE1 4.12Å; E522-Y547 HydrophobicContact CB-CE2 3.73Å; E522-Y547 HydrophobicContact CB-CG 3.72Å; E522-Y547 HydrophobicContact CG-CE1 4.36Å; E522-Y547 HydrophobicContact CG-CE2 4.24Å; T543-Y547 HydrophobicContact CG2-CD2 3.87Å; T543-Y547 HydrophobicContact CG2-CE2 3.57Å; T543-Y547 VanDerWaalsContact O-CD2 3.3Å; T543-Y547 WeakPolarHBondContact O-CD2 3.47Å; T543-Y547 PolarHBondContact O-N 3.09Å; Q544-Y547 PolarHBondContact O-N 2.66Å; Y547-H549 VanDerWaalsContact C-N 3.27Å; Y547-H549 PolarHBondContact O-N 3.5Å; Y547-V550 PolarHBondContact O-N 3.14Å; Y547-L551 WeakPolarHBondContact O-CB 3.47Å; Y547-L551 PolarHBondContact O-N 3.35Å
548	K	93.3	Very high	88.2	Confident	81 Å²	81	35.4 Å²	35.4	35%	0.352	19%	0.187	S	C	.	.	H	α-helix	trans	-57.9	-40.2	173.3	-75.7	-179	-174.9	-174.5	0	111.4	A523 Q544 M546 N552	A523-K548 HydrophobicContact CB-CG 3.69Å; A523-K548 WeakPolarHBondContact O-CE 3.4Å; Q544-K548 WeakPolarHBondContact O-CB 3.41Å; Q544-K548 WeakPolarHBondContact O-CG 3.37Å; Q544-K548 PolarHBondContact O-N 3.4Å; M546-K548 PolarHBondContact O-N 2.62Å; K548-N552 WeakPolarHBondContact O-CB 2.84Å; K548-N552 PolarHBondContact O-N 2.65Å; K548-N552 PolarHBondContact O-ND2 2.77Å; K548-N552 VanDerWaalsContact O-ND2 3.11Å
549	H	94.1	Very high	89.7	Confident	31 Å²	31	37.3 Å²	37.3	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-44.8	177	-177.7	82.4	0	0	0	112.4	I421 F422 V424 K545 M546 Y547 N552 R553	I421-H549 PolarHBondContact O-CD2 3.01Å; I421-H549 PolarHBondContact O-NE2 3.22Å; I421-H549 VanDerWaalsContact O-NE2 3.08Å; F422-H549 HydrophobicContact CD1-CB 3.91Å; F422-H549 AromaticContact CD1-CD2 3.72Å; F422-H549 AromaticContact CD1-CG 3.58Å; F422-H549 AromaticContact CD1-ND1 3.91Å; F422-H549 HydrophobicContact CE1-CB 3.6Å; F422-H549 AromaticContact CE1-CG 3.83Å; V424-H549 PolarHBondContact O-NE2 3.26Å; K545-H549 WeakPolarHBondContact O-CB 3.31Å; K545-H549 PolarHBondContact O-N 3.24Å; M546-H549 WeakPolarHBondContact O-CB 3.47Å; M546-H549 PolarHBondContact O-N 2.76Å; M546-H549 VanDerWaalsContact O-N 3.09Å; Y547-H549 VanDerWaalsContact C-N 3.27Å; Y547-H549 PolarHBondContact O-N 3.5Å; H549-N552 PolarHBondContact O-N 3.35Å; H549-R553 WeakPolarHBondContact NE2-CD 3.38Å; H549-R553 WeakPolarHBondContact O-CG 3.19Å; H549-R553 PolarHBondContact O-N 3.44Å
550	V	95.8	Very high	90.8	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-40.8	176.4	179.7	0	0	0	0	111.3	L413 I421 A498 I502 L519 M546 Y547 N552 R553 L554	L413-V550 HydrophobicContact CD1-CG1 4.22Å; L413-V550 HydrophobicContact CD1-CG2 4.48Å; I421-V550 HydrophobicContact CG2-CG2 3.68Å; A498-V550 HydrophobicContact CB-CG1 4.22Å; A498-V550 HydrophobicContact CB-CG2 4.2Å; I502-V550 HydrophobicContact CD1-CG1 4.39Å; L519-V550 HydrophobicContact CD1-CG1 3.93Å; L519-V550 HydrophobicContact CD2-CB 4.18Å; L519-V550 HydrophobicContact CD2-CG1 3.83Å; M546-V550 WeakPolarHBondContact O-CG2 3.45Å; M546-V550 PolarHBondContact O-N 3.49Å; M546-V550 HydrophobicContact SD-CG2 3.9Å; Y547-V550 PolarHBondContact O-N 3.14Å; V550-N552 VanDerWaalsContact C-N 3.35Å; V550-N552 PolarHBondContact O-N 3.47Å; V550-R553 WeakPolarHBondContact O-CB 3.31Å; V550-R553 PolarHBondContact O-N 3.44Å; V550-R553 VanDerWaalsContact O-N 3.15Å; V550-L554 PolarHBondContact O-N 2.75Å
551	L	95.7	Very high	91.5	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-44.6	173.3	-179.5	60.7	0	0	0	111.7	Y516 L519 R520 A523 Y547 R553 L554 L555	Y516-L551 HydrophobicContact CD2-CD1 3.74Å; Y516-L551 HydrophobicContact CE2-CD1 3.89Å; L519-L551 HydrophobicContact CB-CB 4.27Å; L519-L551 HydrophobicContact CB-CD1 4.11Å; R520-L551 HydrophobicContact CB-CD2 4.35Å; A523-L551 HydrophobicContact CB-CD2 4.37Å; Y547-L551 WeakPolarHBondContact O-CB 3.47Å; Y547-L551 PolarHBondContact O-N 3.35Å; L551-R553 VanDerWaalsContact C-N 3.32Å; L551-R553 PolarHBondContact O-N 3.05Å; L551-L554 WeakPolarHBondContact O-CB 3.48Å; L551-L554 PolarHBondContact O-N 3.44Å; L551-L555 HydrophobicContact CD1-CD1 4.44Å; L551-L555 HydrophobicContact CD1-CG 4.49Å; L551-L555 HydrophobicContact CG-CD1 4.29Å; L551-L555 WeakPolarHBondContact O-CG 3.11Å; L551-L555 PolarHBondContact O-N 2.66Å
552	N	95	Very high	92.1	Very high	89 Å²	89	37.8 Å²	37.8	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-64	-36.9	175.3	-72.3	-30.3	0	0	0	112.3	K548 H549 V550 H556	K548-N552 WeakPolarHBondContact O-CB 2.84Å; K548-N552 PolarHBondContact O-N 2.65Å; K548-N552 PolarHBondContact O-ND2 2.77Å; K548-N552 VanDerWaalsContact O-ND2 3.11Å; H549-N552 PolarHBondContact O-N 3.35Å; V550-N552 VanDerWaalsContact C-N 3.35Å; V550-N552 PolarHBondContact O-N 3.47Å; N552-H556 WeakPolarHBondContact O-CB 3.37Å; N552-H556 PolarHBondContact O-N 2.79Å
553	R	94.8	Very high	92.6	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.06	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-42.9	173.5	-73	171.8	53.3	-179.2	-5.9	111.3	I421 S499 I502 H549 V550 L551 A557	I421-R553 PolarHBondContact O-NH1 3.45Å; I421-R553 VanDerWaalsContact O-NH1 3.07Å; S499-R553 PolarHBondContact OG-NH2 3.35Å; I502-R553 HydrophobicContact CD1-CB 3.61Å; H549-R553 WeakPolarHBondContact NE2-CD 3.38Å; H549-R553 WeakPolarHBondContact O-CG 3.19Å; H549-R553 PolarHBondContact O-N 3.44Å; V550-R553 WeakPolarHBondContact O-CB 3.31Å; V550-R553 PolarHBondContact O-N 3.44Å; V550-R553 VanDerWaalsContact O-N 3.15Å; L551-R553 VanDerWaalsContact C-N 3.32Å; L551-R553 PolarHBondContact O-N 3.05Å; R553-A557 VanDerWaalsContact O-CB 3.26Å; R553-A557 WeakPolarHBondContact O-CB 3.44Å; R553-A557 PolarHBondContact O-N 3.15Å
554	L	95.5	Very high	93	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-53.7	176.6	177.9	67.2	0	0	0	111.3	I502 A505 L515 L519 V550 L551 H556 A557 F558	I502-L554 HydrophobicContact CG1-CB 4.23Å; I502-L554 HydrophobicContact CG1-CD1 4.18Å; I502-L554 HydrophobicContact CG2-CD1 4.31Å; A505-L554 HydrophobicContact CB-CD1 3.91Å; L515-L554 HydrophobicContact CD2-CD1 3.98Å; L515-L554 HydrophobicContact CD2-CD2 4.24Å; L515-L554 HydrophobicContact CG-CD2 4.18Å; L519-L554 HydrophobicContact CD1-CD2 4.03Å; V550-L554 PolarHBondContact O-N 2.75Å; L551-L554 WeakPolarHBondContact O-CB 3.48Å; L551-L554 PolarHBondContact O-N 3.44Å; L554-H556 VanDerWaalsContact C-N 3.32Å; L554-H556 PolarHBondContact O-N 3.39Å; L554-A557 WeakPolarHBondContact O-CB 3.48Å; L554-A557 PolarHBondContact O-N 3.48Å; L554-A557 VanDerWaalsContact O-N 3.1Å; L554-F558 HydrophobicContact CD1-CE1 3.94Å; L554-F558 HydrophobicContact CD1-CE2 3.9Å; L554-F558 HydrophobicContact CD1-CZ 3.52Å; L554-F558 HydrophobicContact CD2-CE2 4.49Å; L554-F558 HydrophobicContact CG-CE2 4.02Å; L554-F558 HydrophobicContact CG-CZ 4.17Å; L554-F558 PolarHBondContact O-N 2.97Å
555	L	94.7	Very high	93.4	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-42.9	-179.4	-67.5	172.7	0	0	0	111.7	Y516 L551 A557 F558 D559 N569	Y516-L555 HydrophobicContact CD2-CD2 4.15Å; Y516-L555 HydrophobicContact CE2-CD2 3.85Å; L551-L555 HydrophobicContact CD1-CD1 4.44Å; L551-L555 HydrophobicContact CD1-CG 4.49Å; L551-L555 HydrophobicContact CG-CD1 4.29Å; L551-L555 WeakPolarHBondContact O-CG 3.11Å; L551-L555 PolarHBondContact O-N 2.66Å; L555-A557 VanDerWaalsContact C-N 3.35Å; L555-A557 PolarHBondContact O-N 3.41Å; L555-F558 PolarHBondContact O-N 2.96Å; L555-D559 PolarHBondContact O-N 3.33Å; L555-N569 WeakPolarHBondContact CD2-OD1 3.36Å
556	H	92.6	Very high	93.6	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.227	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-40.1	174.9	-178.5	-77.5	0	0	0	112.5	P426 K427 N552 L554 F558 D559 A560	P426-H556 HydrophobicContact CB-CB 3.87Å; K427-H556 PolarHBondContact O-NE2 3.37Å; N552-H556 WeakPolarHBondContact O-CB 3.37Å; N552-H556 PolarHBondContact O-N 2.79Å; L554-H556 VanDerWaalsContact C-N 3.32Å; L554-H556 PolarHBondContact O-N 3.39Å; H556-F558 PolarHBondContact O-N 3.33Å; H556-D559 PolarHBondContact O-N 2.74Å; H556-A560 VanDerWaalsContact O-CB 3.32Å; H556-A560 WeakPolarHBondContact O-CB 3.45Å; H556-A560 PolarHBondContact O-N 3.12Å
557	A	93	Very high	93.7	Very high	15 Å²	15	45 Å²	45	12%	0.124	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-29.1	176.7	0	0	0	0	0	112	I502 Q506 R553 L554 L555 G561	I502-A557 HydrophobicContact CG2-CB 3.55Å; Q506-A557 HydrophobicContact CG-CB 4.48Å; Q506-A557 PolarHBondContact NE2-O 3.49Å; R553-A557 VanDerWaalsContact O-CB 3.26Å; R553-A557 WeakPolarHBondContact O-CB 3.44Å; R553-A557 PolarHBondContact O-N 3.15Å; L554-A557 WeakPolarHBondContact O-CB 3.48Å; L554-A557 PolarHBondContact O-N 3.48Å; L554-A557 VanDerWaalsContact O-N 3.1Å; L555-A557 VanDerWaalsContact C-N 3.35Å; L555-A557 PolarHBondContact O-N 3.41Å; A557-G561 WeakPolarHBondContact O-CA 3.48Å; A557-G561 PolarHBondContact O-N 3.06Å; A557-G561 VanDerWaalsContact O-N 3.12Å
558	F	94.5	Very high	93.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-76.7	-43.2	172.4	-67.3	-16.8	0	0	0	113.2	A505 Q506 A512 L554 L555 H556 A560 G561 C565 Q566 N569 L572	A505-F558 HydrophobicContact CB-CE1 4.33Å; A505-F558 HydrophobicContact CB-CZ 4.05Å; Q506-F558 HydrophobicContact CB-CE1 4.5Å; Q506-F558 HydrophobicContact CG-CD1 3.99Å; Q506-F558 HydrophobicContact CG-CE1 3.86Å; A512-F558 HydrophobicContact CB-CE1 4.49Å; A512-F558 HydrophobicContact CB-CE2 3.99Å; A512-F558 HydrophobicContact CB-CZ 3.49Å; A512-F558 VanDerWaalsContact CB-CZ 3.49Å; L554-F558 HydrophobicContact CD1-CE1 3.94Å; L554-F558 HydrophobicContact CD1-CE2 3.9Å; L554-F558 HydrophobicContact CD1-CZ 3.52Å; L554-F558 HydrophobicContact CD2-CE2 4.49Å; L554-F558 HydrophobicContact CG-CE2 4.02Å; L554-F558 HydrophobicContact CG-CZ 4.17Å; L554-F558 PolarHBondContact O-N 2.97Å; L555-F558 PolarHBondContact O-N 2.96Å; H556-F558 PolarHBondContact O-N 3.33Å; F558-A560 VanDerWaalsContact C-N 3.34Å; F558-A560 PolarHBondContact O-N 3.09Å; F558-G561 PolarHBondContact O-N 3.31Å; F558-C565 HydrophobicContact CB-CB 4.32Å; F558-C565 HydrophobicContact CD1-CB 4.18Å; F558-C565 CarbonylContact O-C 3.03Å; F558-C565 WeakPolarHBondContact O-CB 3.41Å; F558-Q566 WeakPolarHBondContact O-CG 3.29Å; F558-Q566 PolarHBondContact O-N 3.19Å; F558-N569 HydrophobicContact CB-CB 3.86Å; F558-L572 HydrophobicContact CD2-CD1 4.02Å; F558-L572 HydrophobicContact CE2-CD1 3.62Å
559	D	91.6	Very high	93.8	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-43	174.9	-80.8	-28.5	0	0	0	112.5	L555 H556 G561 Q566 N569	L555-D559 PolarHBondContact O-N 3.33Å; H556-D559 PolarHBondContact O-N 2.74Å; D559-G561 VanDerWaalsContact C-N 3.3Å; D559-Q566 WeakPolarHBondContact O-CG 3.3Å; D559-Q566 PolarHBondContact O-NE2 3.12Å; D559-N569 PolarHBondContact OD1-ND2 3.32Å; D559-N569 PolarHBondContact OD2-ND2 2.97Å
560	A	90	Very high	93.8	Very high	67 Å²	67	46 Å²	46	55%	0.554	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.9	178.8	0	0	0	0	0	113.7	H556 F558	H556-A560 VanDerWaalsContact O-CB 3.32Å; H556-A560 WeakPolarHBondContact O-CB 3.45Å; H556-A560 PolarHBondContact O-N 3.12Å; F558-A560 VanDerWaalsContact C-N 3.34Å; F558-A560 PolarHBondContact O-N 3.09Å
561	G	88.1	Confident	93.8	Very high	23 Å²	23	46.6 Å²	46.6	24%	0.237	26%	0.263	C	S	.	.	S	Bend	trans	-81.6	-159.9	-175.4	0	0	0	0	0	113.9	A557 F558 D559	A557-G561 WeakPolarHBondContact O-CA 3.48Å; A557-G561 PolarHBondContact O-N 3.06Å; A557-G561 VanDerWaalsContact O-N 3.12Å; F558-G561 PolarHBondContact O-N 3.31Å; D559-G561 VanDerWaalsContact C-N 3.3Å
562	S	92.1	Very high	93.8	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	26%	0.259	S	S	.	.			trans	-65.6	163.1	174.2	67.1	0	0	0	0	111.6	T564 C565 Q566	S562-T564 PolarHBondContact O-N 3.45Å; S562-T564 VanDerWaalsContact O-N 3.11Å; S562-C565 WeakPolarHBondContact O-CA 3.41Å; S562-C565 WeakPolarHBondContact O-CB 3.38Å; S562-C565 PolarHBondContact O-N 3.1Å; S562-C565 PolarHBondContact OG-N 2.96Å; S562-C565 PolarHBondContact OG-SG 3.5Å; S562-Q566 PolarHBondContact O-N 3.17Å
563	P	93.7	Very high	93.7	Very high	104 Å²	104	44.5 Å²	44.5	68%	0.675	25%	0.252	S	S	*	.	H	α-helix	trans	-53.3	-32.6	172.3	-26.9	35.4	0	0	0	113	Q566 K567	P563-Q566 PolarHBondContact O-N 3.12Å; P563-K567 WeakPolarHBondContact O-CB 3.36Å; P563-K567 PolarHBondContact O-N 2.94Å
564	T	94.7	Very high	93.6	Very high	74 Å²	74	46.4 Å²	46.4	45%	0.454	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-46.9	173	-48.5	0	0	0	0	111.8	S562 Q566 K567 W568	S562-T564 PolarHBondContact O-N 3.45Å; S562-T564 VanDerWaalsContact O-N 3.11Å; T564-Q566 VanDerWaalsContact C-N 3.35Å; T564-Q566 PolarHBondContact O-N 2.97Å; T564-K567 WeakPolarHBondContact O-CB 3.24Å; T564-K567 PolarHBondContact O-N 2.98Å; T564-W568 HydrophobicContact CG2-CD2 4.2Å; T564-W568 HydrophobicContact CG2-CH2 4.23Å; T564-W568 HydrophobicContact CG2-CZ2 3.54Å; T564-W568 PolarHBondContact O-N 3.34Å
565	C	94	Very high	93.6	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-40.7	175.8	-68.5	0	0	0	0	112	F558 S562 K567 W568 N569	F558-C565 HydrophobicContact CB-CB 4.32Å; F558-C565 HydrophobicContact CD1-CB 4.18Å; F558-C565 CarbonylContact O-C 3.03Å; F558-C565 WeakPolarHBondContact O-CB 3.41Å; S562-C565 WeakPolarHBondContact O-CA 3.41Å; S562-C565 WeakPolarHBondContact O-CB 3.38Å; S562-C565 PolarHBondContact O-N 3.1Å; S562-C565 PolarHBondContact OG-N 2.96Å; S562-C565 PolarHBondContact OG-SG 3.5Å; C565-K567 VanDerWaalsContact C-N 3.33Å; C565-K567 PolarHBondContact O-N 3.14Å; C565-W568 WeakPolarHBondContact O-CB 3.47Å; C565-W568 PolarHBondContact O-N 3.5Å; C565-N569 PolarHBondContact O-N 3.42Å
566	Q	94.7	Very high	93.6	Very high	90 Å²	90	45 Å²	45	42%	0.421	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-41.7	175.9	-68.6	174.8	-1.3	0	0	111.5	F558 D559 S562 P563 T564 N569 I570	F558-Q566 WeakPolarHBondContact O-CG 3.29Å; F558-Q566 PolarHBondContact O-N 3.19Å; D559-Q566 WeakPolarHBondContact O-CG 3.3Å; D559-Q566 PolarHBondContact O-NE2 3.12Å; S562-Q566 PolarHBondContact O-N 3.17Å; P563-Q566 PolarHBondContact O-N 3.12Å; T564-Q566 VanDerWaalsContact C-N 3.35Å; T564-Q566 PolarHBondContact O-N 2.97Å; Q566-N569 WeakPolarHBondContact O-CB 3.46Å; Q566-N569 PolarHBondContact O-N 3.11Å; Q566-I570 WeakPolarHBondContact O-CG1 3.31Å; Q566-I570 PolarHBondContact O-N 3.1Å
567	K	95.1	Very high	93.6	Very high	121 Å²	121	44.5 Å²	44.5	53%	0.526	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-47.7	172.6	-172	-169	-174.9	-116.9	0	111.2	P563 T564 C565 N569 I570 E571	P563-K567 WeakPolarHBondContact O-CB 3.36Å; P563-K567 PolarHBondContact O-N 2.94Å; T564-K567 WeakPolarHBondContact O-CB 3.24Å; T564-K567 PolarHBondContact O-N 2.98Å; C565-K567 VanDerWaalsContact C-N 3.33Å; C565-K567 PolarHBondContact O-N 3.14Å; K567-N569 VanDerWaalsContact C-N 3.29Å; K567-N569 PolarHBondContact O-N 2.96Å; K567-I570 WeakPolarHBondContact O-CB 3.33Å; K567-I570 PolarHBondContact O-N 3.44Å; K567-I570 VanDerWaalsContact O-N 3.14Å; K567-E571 WeakPolarHBondContact CE-OE1 3.41Å; K567-E571 IonicContact NZ-OE1 3.99Å; K567-E571 PolarHBondContact NZ-OE1 3.23Å; K567-E571 WeakPolarHBondContact O-CG 3.48Å; K567-E571 PolarHBondContact O-N 3.05Å
568	W	95.6	Very high	93.6	Very high	38 Å²	38	44.1 Å²	44.1	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-38.2	177.1	-64.5	-19.4	0	0	0	112.5	Q506 F509 T564 C565 I570 E571 L572	Q506-W568 WeakPolarHBondContact O-CZ3 3.22Å; F509-W568 HydrophobicContact CB-CD2 4.14Å; F509-W568 HydrophobicContact CB-CH2 4.16Å; F509-W568 HydrophobicContact CB-CZ2 3.71Å; F509-W568 HydrophobicContact CD2-CB 3.76Å; F509-W568 AromaticContact CD2-CD1 3.36Å; F509-W568 AromaticContact CD2-CD2 3.54Å; F509-W568 HydrophobicContact CD2-CD2 3.54Å; F509-W568 AromaticContact CD2-CE2 3.77Å; F509-W568 HydrophobicContact CD2-CE3 4.19Å; F509-W568 AromaticContact CD2-CG 3.3Å; F509-W568 HydrophobicContact CD2-CG 3.3Å; F509-W568 AromaticContact CD2-NE1 3.64Å; F509-W568 HydrophobicContact CE2-CB 3.77Å; F509-W568 AromaticContact CE2-CD1 3.77Å; F509-W568 HydrophobicContact CE2-CD2 4.44Å; F509-W568 AromaticContact CE2-CG 3.76Å; F509-W568 HydrophobicContact CE2-CG 3.76Å; F509-W568 HydrophobicContact CG-CD2 4.26Å; F509-W568 HydrophobicContact CG-CG 4.32Å; F509-W568 AromaticContact CG-NE1 3.96Å; T564-W568 HydrophobicContact CG2-CD2 4.2Å; T564-W568 HydrophobicContact CG2-CH2 4.23Å; T564-W568 HydrophobicContact CG2-CZ2 3.54Å; T564-W568 PolarHBondContact O-N 3.34Å; C565-W568 WeakPolarHBondContact O-CB 3.47Å; C565-W568 PolarHBondContact O-N 3.5Å; W568-I570 VanDerWaalsContact C-N 3.33Å; W568-I570 PolarHBondContact O-N 3.08Å; W568-E571 PolarHBondContact O-N 3.28Å; W568-L572 VanDerWaalsContact O-CG 3.25Å; W568-L572 WeakPolarHBondContact O-CG 3.5Å; W568-L572 PolarHBondContact O-N 3.34Å
569	N	94.8	Very high	93.6	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.2	-162.3	14.8	0	0	0	111.6	L555 F558 D559 C565 Q566 K567 L572 L573	L555-N569 WeakPolarHBondContact CD2-OD1 3.36Å; F558-N569 HydrophobicContact CB-CB 3.86Å; D559-N569 PolarHBondContact OD1-ND2 3.32Å; D559-N569 PolarHBondContact OD2-ND2 2.97Å; C565-N569 PolarHBondContact O-N 3.42Å; Q566-N569 WeakPolarHBondContact O-CB 3.46Å; Q566-N569 PolarHBondContact O-N 3.11Å; K567-N569 VanDerWaalsContact C-N 3.29Å; K567-N569 PolarHBondContact O-N 2.96Å; N569-L572 PolarHBondContact O-N 2.99Å; N569-L573 VanDerWaalsContact O-CG 3.32Å; N569-L573 WeakPolarHBondContact O-CG 3.48Å; N569-L573 PolarHBondContact O-N 2.74Å; N569-L573 VanDerWaalsContact O-N 3.09Å
570	I	94.9	Very high	93.6	Very high	87 Å²	87	44.4 Å²	44.4	45%	0.446	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-46.4	176.4	-63.4	166.3	0	0	0	110.3	Q566 K567 W568 L572 L573 Q574	Q566-I570 WeakPolarHBondContact O-CG1 3.31Å; Q566-I570 PolarHBondContact O-N 3.1Å; K567-I570 WeakPolarHBondContact O-CB 3.33Å; K567-I570 PolarHBondContact O-N 3.44Å; K567-I570 VanDerWaalsContact O-N 3.14Å; W568-I570 VanDerWaalsContact C-N 3.33Å; W568-I570 PolarHBondContact O-N 3.08Å; I570-L572 PolarHBondContact O-N 2.8Å; I570-L573 PolarHBondContact O-N 3.26Å; I570-Q574 HydrophobicContact CG2-CG 4.41Å; I570-Q574 WeakPolarHBondContact O-CG 3.47Å; I570-Q574 PolarHBondContact O-N 3.24Å
571	E	94.9	Very high	93.7	Very high	15 Å²	15	41.7 Å²	41.7	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-42.5	178.7	-71.8	171.6	170.2	0	0	112.2	K567 W568 L573 Q574 Q575 F623	K567-E571 WeakPolarHBondContact CE-OE1 3.41Å; K567-E571 IonicContact NZ-OE1 3.99Å; K567-E571 PolarHBondContact NZ-OE1 3.23Å; K567-E571 WeakPolarHBondContact O-CG 3.48Å; K567-E571 PolarHBondContact O-N 3.05Å; W568-E571 PolarHBondContact O-N 3.28Å; E571-L573 VanDerWaalsContact C-N 3.34Å; E571-L573 PolarHBondContact O-N 2.91Å; E571-Q574 WeakPolarHBondContact O-CB 3.29Å; E571-Q574 PolarHBondContact O-N 2.95Å; E571-Q575 WeakPolarHBondContact O-CB 3.44Å; E571-Q575 WeakPolarHBondContact O-CG 3.23Å; E571-Q575 PolarHBondContact O-N 3.17Å; E571-F623 HydrophobicContact CB-CB 4.31Å; E571-F623 HydrophobicContact CG-CB 4.16Å
572	L	95	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-35.4	176.7	-68.8	170.5	0	0	0	112.7	F509 N513 Y516 F558 W568 N569 I570 T576	F509-L572 HydrophobicContact CE2-CD2 4.39Å; F509-L572 HydrophobicContact CE2-CG 4.4Å; F509-L572 HydrophobicContact CZ-CD2 4.37Å; N513-L572 HydrophobicContact CB-CD2 4.5Å; Y516-L572 HydrophobicContact CD1-CB 4.34Å; Y516-L572 HydrophobicContact CD1-CD2 4.03Å; Y516-L572 HydrophobicContact CD2-CD1 4.35Å; Y516-L572 HydrophobicContact CE1-CB 4.39Å; Y516-L572 HydrophobicContact CG-CB 4.45Å; Y516-L572 HydrophobicContact CG-CD1 4.16Å; Y516-L572 HydrophobicContact CG-CD2 4.14Å; Y516-L572 HydrophobicContact CG-CG 4.49Å; F558-L572 HydrophobicContact CD2-CD1 4.02Å; F558-L572 HydrophobicContact CE2-CD1 3.62Å; W568-L572 VanDerWaalsContact O-CG 3.25Å; W568-L572 WeakPolarHBondContact O-CG 3.5Å; W568-L572 PolarHBondContact O-N 3.34Å; N569-L572 PolarHBondContact O-N 2.99Å; I570-L572 PolarHBondContact O-N 2.8Å; L572-T576 PolarHBondContact O-N 3.44Å; L572-T576 PolarHBondContact O-OG1 2.92Å; L572-T576 VanDerWaalsContact O-OG1 3.08Å
573	L	92.8	Very high	93.9	Very high	62 Å²	62	38.7 Å²	38.7	33%	0.325	20%	0.198	S	C	.	.	H	α-helix	trans	-70.7	-37.9	173.7	-68	174.8	0	0	0	111.7	N569 I570 E571 T576 Q577	N569-L573 VanDerWaalsContact O-CG 3.32Å; N569-L573 WeakPolarHBondContact O-CG 3.48Å; N569-L573 PolarHBondContact O-N 2.74Å; N569-L573 VanDerWaalsContact O-N 3.09Å; I570-L573 PolarHBondContact O-N 3.26Å; E571-L573 VanDerWaalsContact C-N 3.34Å; E571-L573 PolarHBondContact O-N 2.91Å; L573-T576 WeakPolarHBondContact O-CB 3.27Å; L573-T576 PolarHBondContact O-N 3.13Å; L573-Q577 PolarHBondContact O-N 3.16Å
574	Q	93.9	Very high	93.7	Very high	56 Å²	56	39.1 Å²	39.1	26%	0.262	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-46.1	172.9	-72.6	175.8	-41.5	0	0	111.4	I570 E571 T576 Q577 F578 F623	I570-Q574 HydrophobicContact CG2-CG 4.41Å; I570-Q574 WeakPolarHBondContact O-CG 3.47Å; I570-Q574 PolarHBondContact O-N 3.24Å; E571-Q574 WeakPolarHBondContact O-CB 3.29Å; E571-Q574 PolarHBondContact O-N 2.95Å; Q574-T576 VanDerWaalsContact C-N 3.28Å; Q574-T576 PolarHBondContact O-N 3.48Å; Q574-Q577 PolarHBondContact O-N 3.15Å; Q574-F578 WeakPolarHBondContact O-CB 3.48Å; Q574-F578 PolarHBondContact O-N 2.54Å; Q574-F623 HydrophobicContact CB-CD1 3.89Å; Q574-F623 HydrophobicContact CB-CE1 4.15Å; Q574-F623 HydrophobicContact CB-CG 4.27Å
575	Q	95.5	Very high	93.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-53.8	-46.2	172.7	-78.2	-176.5	4.5	0	0	111.6	N513 W517 E571 F578 I579 F623 P624 P626	N513-Q575 PolarHBondContact OD1-NE2 2.91Å; N513-Q575 PolarHBondContact OD1-OE1 3.46Å; N513-Q575 VanDerWaalsContact OD1-OE1 3.12Å; W517-Q575 HydrophobicContact CZ2-CB 4.07Å; E571-Q575 WeakPolarHBondContact O-CB 3.44Å; E571-Q575 WeakPolarHBondContact O-CG 3.23Å; E571-Q575 PolarHBondContact O-N 3.17Å; Q575-F578 PolarHBondContact O-N 3.45Å; Q575-I579 VanDerWaalsContact O-CG1 3.32Å; Q575-I579 WeakPolarHBondContact O-CG1 3.5Å; Q575-I579 PolarHBondContact O-N 3.47Å; Q575-F623 HydrophobicContact CB-CD2 4.45Å; Q575-F623 HydrophobicContact CB-CE2 4.35Å; Q575-F623 HydrophobicContact CG-CD2 3.57Å; Q575-F623 HydrophobicContact CG-CE2 3.83Å; Q575-P624 VanDerWaalsContact CG-O 3.32Å; Q575-P624 WeakPolarHBondContact CG-O 3.04Å; Q575-P624 PolarHBondContact NE2-O 2.95Å; Q575-P626 HydrophobicContact CB-CG 3.84Å; Q575-P626 HydrophobicContact CG-CG 3.8Å
576	T	93.5	Very high	93.3	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-56	-52.8	176.7	-74	0	0	0	0	111.9	Y516 R520 L572 L573 Q574 F578 I579 Q580	Y516-T576 WeakPolarHBondContact CE1-OG1 3.37Å; Y516-T576 PolarHBondContact OH-OG1 3Å; R520-T576 PolarHBondContact NH1-OG1 3.36Å; L572-T576 PolarHBondContact O-N 3.44Å; L572-T576 PolarHBondContact O-OG1 2.92Å; L572-T576 VanDerWaalsContact O-OG1 3.08Å; L573-T576 WeakPolarHBondContact O-CB 3.27Å; L573-T576 PolarHBondContact O-N 3.13Å; Q574-T576 VanDerWaalsContact C-N 3.28Å; Q574-T576 PolarHBondContact O-N 3.48Å; T576-F578 VanDerWaalsContact C-N 3.3Å; T576-F578 PolarHBondContact O-N 2.77Å; T576-I579 PolarHBondContact O-N 2.96Å; T576-Q580 WeakPolarHBondContact O-CG 3.49Å; T576-Q580 PolarHBondContact O-N 3.28Å
577	Q	92.4	Very high	92.8	Very high	40 Å²	40	35.4 Å²	35.4	19%	0.187	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-44.8	-177.6	179.5	56.7	43.3	0	0	109.8	V437 L573 Q574 I579 Q580 D581	V437-Q577 HydrophobicContact CG1-CB 4.24Å; V437-Q577 HydrophobicContact CG1-CG 4.38Å; L573-Q577 PolarHBondContact O-N 3.16Å; Q574-Q577 PolarHBondContact O-N 3.15Å; Q577-I579 PolarHBondContact O-N 3.1Å; Q577-Q580 CarbonylContact O-C 3.52Å; Q577-Q580 WeakPolarHBondContact O-CA 3.45Å; Q577-Q580 WeakPolarHBondContact O-CB 3.49Å; Q577-Q580 PolarHBondContact O-N 3.06Å; Q577-Q580 VanDerWaalsContact O-N 3.1Å; Q577-D581 WeakPolarHBondContact CG-OD2 3.37Å; Q577-D581 VanDerWaalsContact NE2-CG 3.32Å; Q577-D581 PolarHBondContact NE2-OD1 3.24Å; Q577-D581 PolarHBondContact NE2-OD2 3.01Å; Q577-D581 VanDerWaalsContact NE2-OD2 3.12Å; Q577-D581 PolarHBondContact O-N 2.99Å
578	F	94.3	Very high	92.3	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-45.3	177.2	-178.3	-107.4	0	0	0	113.3	Q574 Q575 T576 Q580 D581 L582 I616 I619 F623 V636 F655	Q574-F578 WeakPolarHBondContact O-CB 3.48Å; Q574-F578 PolarHBondContact O-N 2.54Å; Q575-F578 PolarHBondContact O-N 3.45Å; T576-F578 VanDerWaalsContact C-N 3.3Å; T576-F578 PolarHBondContact O-N 2.77Å; F578-Q580 VanDerWaalsContact C-N 3.32Å; F578-Q580 PolarHBondContact O-N 3.44Å; F578-D581 PolarHBondContact O-N 3.37Å; F578-L582 HydrophobicContact CD1-CD1 3.93Å; F578-L582 HydrophobicContact CE1-CD1 3.51Å; F578-L582 HydrophobicContact CE1-CG 4.27Å; F578-L582 HydrophobicContact CZ-CD1 3.92Å; F578-L582 HydrophobicContact CZ-CG 4.32Å; F578-L582 WeakPolarHBondContact O-CG 3.43Å; F578-L582 PolarHBondContact O-N 2.95Å; F578-I616 HydrophobicContact CE2-CB 4.41Å; F578-I616 HydrophobicContact CE2-CG2 3.86Å; F578-I616 HydrophobicContact CZ-CG2 4.38Å; F578-I619 HydrophobicContact CD2-CD1 4.11Å; F578-I619 HydrophobicContact CE2-CD1 3.69Å; F578-I619 HydrophobicContact CE2-CG1 4.36Å; F578-I619 HydrophobicContact CZ-CD1 4.17Å; F578-F623 HydrophobicContact CB-CE1 4.49Å; F578-F623 HydrophobicContact CB-CE2 4.3Å; F578-F623 HydrophobicContact CB-CZ 3.61Å; F578-F623 HydrophobicContact CD1-CE2 4.26Å; F578-F623 AromaticContact CD1-CZ 3.97Å; F578-F623 HydrophobicContact CD1-CZ 3.97Å; F578-F623 HydrophobicContact CD2-CZ 4.05Å; F578-F623 HydrophobicContact CG-CE2 4.33Å; F578-F623 AromaticContact CG-CZ 3.63Å; F578-F623 HydrophobicContact CG-CZ 3.63Å; F578-V636 HydrophobicContact CE2-CG2 4.46Å; F578-V636 HydrophobicContact CZ-CG2 3.95Å; F578-F655 HydrophobicContact CE1-CD1 4.48Å; F578-F655 AromaticContact CE1-CE1 3.79Å; F578-F655 HydrophobicContact CE1-CE1 3.79Å; F578-F655 HydrophobicContact CZ-CD1 4.28Å; F578-F655 AromaticContact CZ-CE1 3.82Å; F578-F655 HydrophobicContact CZ-CE1 3.82Å
579	I	93.7	Very high	91.6	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-38	175.7	-66.1	-62.7	0	0	0	111.3	W517 Q575 T576 Q577 L582 C583 P626 T707 L711 L713	W517-I579 HydrophobicContact CH2-CB 4.04Å; W517-I579 HydrophobicContact CH2-CG1 3.76Å; W517-I579 HydrophobicContact CH2-CG2 4.34Å; W517-I579 HydrophobicContact CZ2-CG1 4.05Å; Q575-I579 VanDerWaalsContact O-CG1 3.32Å; Q575-I579 WeakPolarHBondContact O-CG1 3.5Å; Q575-I579 PolarHBondContact O-N 3.47Å; T576-I579 PolarHBondContact O-N 2.96Å; Q577-I579 PolarHBondContact O-N 3.1Å; I579-L582 HydrophobicContact CD1-CD1 4.42Å; I579-C583 WeakPolarHBondContact O-CB 3.41Å; I579-C583 PolarHBondContact O-N 3.22Å; I579-P626 HydrophobicContact CD1-CG 4.17Å; I579-P626 HydrophobicContact CG1-CG 4.05Å; I579-T707 HydrophobicContact CG2-CG2 4.24Å; I579-L711 HydrophobicContact CG2-CD2 3.55Å; I579-L713 HydrophobicContact CD1-CD1 3.64Å; I579-L713 HydrophobicContact CD1-CG 4.39Å
580	Q	91.7	Very high	90.8	Very high	73 Å²	73	30.5 Å²	30.5	34%	0.341	15%	0.148	S	C	.	.	H	α-helix	trans	-66.6	-39	175	-70.2	175.9	-17	0	0	112.1	T576 Q577 F578 C583 R584	T576-Q580 WeakPolarHBondContact O-CG 3.49Å; T576-Q580 PolarHBondContact O-N 3.28Å; Q577-Q580 CarbonylContact O-C 3.52Å; Q577-Q580 WeakPolarHBondContact O-CA 3.45Å; Q577-Q580 WeakPolarHBondContact O-CB 3.49Å; Q577-Q580 PolarHBondContact O-N 3.06Å; Q577-Q580 VanDerWaalsContact O-N 3.1Å; F578-Q580 VanDerWaalsContact C-N 3.32Å; F578-Q580 PolarHBondContact O-N 3.44Å; Q580-C583 PolarHBondContact O-N 3.21Å; Q580-R584 WeakPolarHBondContact O-CB 3.41Å; Q580-R584 WeakPolarHBondContact O-CG 3.36Å; Q580-R584 PolarHBondContact O-N 3.31Å
581	D	92.7	Very high	89.8	Confident	10 Å²	10	32.5 Å²	32.5	5%	0.053	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-45.6	175.9	-64.8	-37.8	0	0	0	110.9	Q577 F578 C583 R584 L585 H615 I616	Q577-D581 WeakPolarHBondContact CG-OD2 3.37Å; Q577-D581 VanDerWaalsContact NE2-CG 3.32Å; Q577-D581 PolarHBondContact NE2-OD1 3.24Å; Q577-D581 PolarHBondContact NE2-OD2 3.01Å; Q577-D581 VanDerWaalsContact NE2-OD2 3.12Å; Q577-D581 PolarHBondContact O-N 2.99Å; F578-D581 PolarHBondContact O-N 3.37Å; D581-C583 VanDerWaalsContact C-N 3.34Å; D581-C583 PolarHBondContact O-N 3.34Å; D581-R584 PolarHBondContact O-N 2.75Å; D581-R584 IonicContact OD1-CZ 3.44Å; D581-R584 IonicContact OD1-NH1 3.65Å; D581-R584 PolarHBondContact OD1-NH1 2.64Å; D581-R584 IonicContact OD1-NH2 2.85Å; D581-R584 PolarHBondContact OD1-NH2 3.08Å; D581-L585 PolarHBondContact O-N 2.68Å; D581-H615 VanDerWaalsContact CG-NE2 3.32Å; D581-H615 IonicContact OD1-NE2 3.01Å; D581-H615 IonicContact OD2-CD2 3.87Å; D581-H615 IonicContact OD2-NE2 3.45Å; D581-H615 PolarHBondContact OD2-NE2 3.15Å; D581-I616 HydrophobicContact CB-CD1 3.76Å; D581-I616 HydrophobicContact CB-CG1 4.06Å
582	L	92.7	Very high	88.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-42	173.3	-75.9	177.8	0	0	0	112.5	F578 I579 L585 L586 I616 L653 F655 L667	F578-L582 HydrophobicContact CD1-CD1 3.93Å; F578-L582 HydrophobicContact CE1-CD1 3.51Å; F578-L582 HydrophobicContact CE1-CG 4.27Å; F578-L582 HydrophobicContact CZ-CD1 3.92Å; F578-L582 HydrophobicContact CZ-CG 4.32Å; F578-L582 WeakPolarHBondContact O-CG 3.43Å; F578-L582 PolarHBondContact O-N 2.95Å; I579-L582 HydrophobicContact CD1-CD1 4.42Å; L582-L585 PolarHBondContact O-N 2.74Å; L582-L586 PolarHBondContact O-N 2.91Å; L582-I616 HydrophobicContact CD2-CD1 4.16Å; L582-I616 HydrophobicContact CD2-CG2 3.69Å; L582-L653 HydrophobicContact CD1-CD1 4.08Å; L582-L653 HydrophobicContact CD2-CD1 3.76Å; L582-F655 HydrophobicContact CD1-CE1 4.39Å; L582-F655 HydrophobicContact CD1-CZ 4.48Å; L582-L667 HydrophobicContact CB-CD2 3.95Å
583	C	90.7	Very high	86.8	Confident	15 Å²	15	39.4 Å²	39.4	10%	0.101	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.9	-176.1	0	0	0	0	111.6	I579 Q580 D581 L586 K587 L711	I579-C583 WeakPolarHBondContact O-CB 3.41Å; I579-C583 PolarHBondContact O-N 3.22Å; Q580-C583 PolarHBondContact O-N 3.21Å; D581-C583 VanDerWaalsContact C-N 3.34Å; D581-C583 PolarHBondContact O-N 3.34Å; C583-L586 PolarHBondContact O-N 3.14Å; C583-K587 WeakPolarHBondContact O-CB 3.46Å; C583-K587 WeakPolarHBondContact O-CG 3.21Å; C583-K587 PolarHBondContact O-N 2.73Å; C583-L711 HydrophobicContact CB-CD1 4.15Å; C583-L711 HydrophobicContact CB-CD2 3.74Å
584	R	90.7	Very high	85.1	Confident	113 Å²	113	39.5 Å²	39.5	43%	0.426	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-42.5	175	-80.7	-174.8	-100.3	114.5	5	111.8	Q580 D581 S588	Q580-R584 WeakPolarHBondContact O-CB 3.41Å; Q580-R584 WeakPolarHBondContact O-CG 3.36Å; Q580-R584 PolarHBondContact O-N 3.31Å; D581-R584 PolarHBondContact O-N 2.75Å; D581-R584 IonicContact OD1-CZ 3.44Å; D581-R584 IonicContact OD1-NH1 3.65Å; D581-R584 PolarHBondContact OD1-NH1 2.64Å; D581-R584 IonicContact OD1-NH2 2.85Å; D581-R584 PolarHBondContact OD1-NH2 3.08Å; R584-S588 PolarHBondContact O-N 3.27Å; R584-S588 PolarHBondContact O-OG 2.82Å
585	L	90.5	Very high	83.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-51.7	173.4	173.1	62.8	0	0	0	111.1	D581 L582 K587 S588 V589 Y604 K607 L608 Y613 I616	D581-L585 PolarHBondContact O-N 2.68Å; L582-L585 PolarHBondContact O-N 2.74Å; L585-K587 PolarHBondContact O-N 2.74Å; L585-S588 PolarHBondContact O-N 3.49Å; L585-S588 PolarHBondContact O-OG 2.76Å; L585-V589 WeakPolarHBondContact O-CG2 3.28Å; L585-V589 PolarHBondContact O-N 3.46Å; L585-Y604 HydrophobicContact CD2-CE2 4.09Å; L585-Y604 HydrophobicContact CG-CE2 3.91Å; L585-K607 HydrophobicContact CD1-CB 3.77Å; L585-L608 HydrophobicContact CD2-CB 4.2Å; L585-L608 HydrophobicContact CD2-CD1 3.71Å; L585-L608 HydrophobicContact CD2-CG 4.45Å; L585-Y613 WeakPolarHBondContact CA-OH 3.11Å; L585-Y613 HydrophobicContact CB-CD1 4.14Å; L585-Y613 HydrophobicContact CB-CE1 3.74Å; L585-Y613 HydrophobicContact CB-CE2 4.36Å; L585-Y613 HydrophobicContact CD1-CD2 3.73Å; L585-Y613 HydrophobicContact CD1-CE1 4.45Å; L585-Y613 HydrophobicContact CD1-CE2 3.62Å; L585-Y613 HydrophobicContact CD1-CG 4.18Å; L585-Y613 PolarHBondContact N-OH 3.33Å; L585-I616 HydrophobicContact CD2-CD1 4.46Å
586	L	88.3	Confident	81.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-44.5	-178.8	-174.9	56.8	0	0	0	112	L582 C583 S588 V589 T590 Y604 L643 A651 L667 H669	L582-L586 PolarHBondContact O-N 2.91Å; C583-L586 PolarHBondContact O-N 3.14Å; L586-S588 PolarHBondContact O-N 3.29Å; L586-V589 PolarHBondContact O-N 3Å; L586-T590 HydrophobicContact CD1-CG2 4.16Å; L586-T590 HydrophobicContact CG-CG2 4.44Å; L586-T590 WeakPolarHBondContact O-CG2 3.32Å; L586-T590 PolarHBondContact O-N 3.33Å; L586-T590 PolarHBondContact O-OG1 3.12Å; L586-Y604 HydrophobicContact CD1-CE2 4.19Å; L586-L643 HydrophobicContact CD1-CD2 3.94Å; L586-A651 HydrophobicContact CD1-CB 4.06Å; L586-L667 HydrophobicContact CB-CD2 4.3Å; L586-L667 HydrophobicContact CD2-CD2 3.97Å; L586-L667 HydrophobicContact CD2-CG 4.18Å; L586-H669 HydrophobicContact CD2-CB 3.76Å
587	K	85.2	Confident	80	Confident	88 Å²	88	56.1 Å²	56.1	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-41.9	177.6	-77.1	-178.8	175.1	-174.7	0	113.2	C583 L585 V589 T590 N591 H669	C583-K587 WeakPolarHBondContact O-CB 3.46Å; C583-K587 WeakPolarHBondContact O-CG 3.21Å; C583-K587 PolarHBondContact O-N 2.73Å; L585-K587 PolarHBondContact O-N 2.74Å; K587-V589 PolarHBondContact O-N 2.78Å; K587-T590 WeakPolarHBondContact CA-OG1 3.36Å; K587-T590 PolarHBondContact O-N 2.95Å; K587-T590 PolarHBondContact O-OG1 2.88Å; K587-N591 VanDerWaalsContact O-CB 3.31Å; K587-N591 WeakPolarHBondContact O-CB 3.49Å; K587-N591 VanDerWaalsContact O-CG 3.25Å; K587-N591 PolarHBondContact O-N 2.89Å; K587-N591 PolarHBondContact O-ND2 2.62Å; K587-H669 WeakPolarHBondContact CE-NE2 3.44Å
588	S	84	Confident	78.6	Confident	27 Å²	27	64.3 Å²	64.3	19%	0.189	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-33.9	178.6	68	0	0	0	0	111.5	R584 L585 L586 D592	R584-S588 PolarHBondContact O-N 3.27Å; R584-S588 PolarHBondContact O-OG 2.82Å; L585-S588 PolarHBondContact O-N 3.49Å; L585-S588 PolarHBondContact O-OG 2.76Å; L586-S588 PolarHBondContact O-N 3.29Å; S588-D592 WeakPolarHBondContact O-CB 3.28Å; S588-D592 PolarHBondContact O-N 3.23Å
589	V	82.1	Confident	77.5	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-81.2	-36.4	-179.7	172.9	0	0	0	0	112.7	L585 L586 K587 V600 F603 Y604 K607 L643	L585-V589 WeakPolarHBondContact O-CG2 3.28Å; L585-V589 PolarHBondContact O-N 3.46Å; L586-V589 PolarHBondContact O-N 3Å; K587-V589 PolarHBondContact O-N 2.78Å; V589-V600 HydrophobicContact CG1-CG1 3.65Å; V589-F603 HydrophobicContact CB-CD1 4.26Å; V589-F603 HydrophobicContact CG1-CD1 4.07Å; V589-F603 HydrophobicContact CG2-CD1 3.83Å; V589-F603 HydrophobicContact CG2-CE1 4.04Å; V589-Y604 HydrophobicContact CB-CD2 4.12Å; V589-Y604 HydrophobicContact CG1-CD2 4.11Å; V589-Y604 HydrophobicContact CG2-CD2 3.87Å; V589-K607 HydrophobicContact CG2-CB 4.32Å; V589-K607 HydrophobicContact CG2-CG 4.31Å; V589-L643 HydrophobicContact CG1-CD1 4.14Å
590	T	77.8	Confident	76.7	Confident	38 Å²	38	69.9 Å²	69.9	23%	0.233	35%	0.347	C	S	.	.	H	α-helix	trans	-76.1	-32.2	179.8	53	0	0	0	0	112.9	L586 K587 R649	L586-T590 HydrophobicContact CD1-CG2 4.16Å; L586-T590 HydrophobicContact CG-CG2 4.44Å; L586-T590 WeakPolarHBondContact O-CG2 3.32Å; L586-T590 PolarHBondContact O-N 3.33Å; L586-T590 PolarHBondContact O-OG1 3.12Å; K587-T590 WeakPolarHBondContact CA-OG1 3.36Å; K587-T590 PolarHBondContact O-N 2.95Å; K587-T590 PolarHBondContact O-OG1 2.88Å; T590-R649 HydrophobicContact CG2-CB 4.49Å
591	N	73.7	Confident	76.2	Confident	128 Å²	128	68.9 Å²	68.9	68%	0.684	34%	0.344	S	S	*	.	H	α-helix	trans	-77.4	-37.9	179.6	-69.7	-11.4	0	0	0	113.2	K587	K587-N591 VanDerWaalsContact O-CB 3.31Å; K587-N591 WeakPolarHBondContact O-CB 3.49Å; K587-N591 VanDerWaalsContact O-CG 3.25Å; K587-N591 PolarHBondContact O-N 2.89Å; K587-N591 PolarHBondContact O-ND2 2.62Å
592	D	66.4	Low	75.7	Confident	113 Å²	113	75.1 Å²	75.1	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-80.7	-17.8	-170.9	-75.5	-13.4	0	0	0	114.3	S588	S588-D592 WeakPolarHBondContact O-CB 3.28Å; S588-D592 PolarHBondContact O-N 3.23Å
593	L	59	Low	75.2	Confident	48 Å²	48	77.9 Å²	77.9	25%	0.251	39%	0.385	S	S	.	.			trans	-129.9	100.9	-169.1	-71	157.7	0	0	0	112.5	V600 F603 R649	L593-V600 HydrophobicContact CB-CG2 3.95Å; L593-F603 HydrophobicContact CD1-CB 3.53Å; L593-F603 HydrophobicContact CD1-CD1 3.17Å; L593-F603 HydrophobicContact CD1-CD2 4.2Å; L593-F603 HydrophobicContact CD1-CE1 3.81Å; L593-F603 HydrophobicContact CD1-CG 3.38Å; L593-F603 HydrophobicContact CG-CD1 4.42Å; L593-R649 PolarHBondContact O-NH1 3.13Å
594	G	58	Low	75	Confident	63 Å²	63	77.1 Å²	77.1	65%	0.649	38%	0.38	S	S	*	.			trans	-50.6	174.7	164.5	0	0	0	0	0	113.7	R596	G594-R596 VanDerWaalsContact C-N 3.26Å; G594-R596 PolarHBondContact O-N 2.9Å
595	N	54.8	Low	74.8	Confident	158 Å²	158	73.2 Å²	73.2	85%	0.845	37%	0.368	S	S	*	.	S	Bend	trans	-47.2	16.2	-162.5	-83.1	-14.9	0	0	0	122.4	S597	N595-S597 PolarHBondContact O-N 2.79Å
596	R	60.8	Low	74.7	Confident	184 Å²	184	76.1 Å²	76.1	69%	0.694	39%	0.389	S	S	*	.			trans	-93.2	79.6	178	-69.5	-177.2	176.7	173.8	-2.9	113	G594 R598 K599 V600	G594-R596 VanDerWaalsContact C-N 3.26Å; G594-R596 PolarHBondContact O-N 2.9Å; R596-R598 PolarHBondContact O-N 3Å; R596-R598 VanDerWaalsContact O-N 3.13Å; R596-K599 PolarHBondContact O-N 3.32Å; R596-K599 VanDerWaalsContact O-N 3.15Å; R596-V600 WeakPolarHBondContact O-CG2 3.41Å
597	S	61.4	Low	74.6	Confident	66 Å²	66	78.5 Å²	78.5	46%	0.462	40%	0.399	S	S	.	.	H	α-helix	trans	-44.1	-42.4	-172.7	56	0	0	0	0	117.9	N595 V600 I601	N595-S597 PolarHBondContact O-N 2.79Å; S597-V600 PolarHBondContact O-N 3.36Å; S597-I601 PolarHBondContact O-N 3.08Å
598	R	62.3	Low	74.8	Confident	213 Å²	213	74.3 Å²	74.3	80%	0.804	38%	0.381	S	S	*	.	H	α-helix	trans	-68.4	-37.2	-178.5	-75.7	-172.9	-172.8	140.7	1.6	113.8	R596 V600 Q602	R596-R598 PolarHBondContact O-N 3Å; R596-R598 VanDerWaalsContact O-N 3.13Å; R598-V600 PolarHBondContact O-N 2.98Å; R598-Q602 PolarHBondContact O-N 3.11Å
599	K	71.8	Confident	75.1	Confident	127 Å²	127	76.3 Å²	76.3	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-69.5	-29.2	177.9	-68.9	-167.9	177.3	-166.7	0	111.3	R596 F603	R596-K599 PolarHBondContact O-N 3.32Å; R596-K599 VanDerWaalsContact O-N 3.15Å; K599-F603 WeakPolarHBondContact O-CB 3.29Å; K599-F603 PolarHBondContact O-N 2.94Å
600	V	76.6	Confident	75.5	Confident	3 Å²	3	77.9 Å²	77.9	2%	0.018	40%	0.4	C	S	.	.	H	α-helix	trans	-68.4	-42.7	-179.8	-172	0	0	0	0	111.2	V589 L593 R596 S597 R598 F603 Y604 L643	V589-V600 HydrophobicContact CG1-CG1 3.65Å; L593-V600 HydrophobicContact CB-CG2 3.95Å; R596-V600 WeakPolarHBondContact O-CG2 3.41Å; S597-V600 PolarHBondContact O-N 3.36Å; R598-V600 PolarHBondContact O-N 2.98Å; V600-F603 PolarHBondContact O-N 3.43Å; V600-Y604 WeakPolarHBondContact O-CB 3.44Å; V600-Y604 PolarHBondContact O-N 3.38Å; V600-L643 HydrophobicContact CB-CD1 4.48Å; V600-L643 HydrophobicContact CG1-CD1 3.56Å
601	I	81.2	Confident	76.1	Confident	52 Å²	52	83.8 Å²	83.8	27%	0.267	43%	0.425	S	S	.	.	H	α-helix	trans	-64.4	-47.5	177.6	-63.2	169.9	0	0	0	110.7	S597 F603 Y604 V605 L643	S597-I601 PolarHBondContact O-N 3.08Å; I601-F603 VanDerWaalsContact C-N 3.27Å; I601-F603 PolarHBondContact O-N 3.02Å; I601-Y604 WeakPolarHBondContact O-CB 3.39Å; I601-Y604 PolarHBondContact O-N 3.44Å; I601-V605 WeakPolarHBondContact O-CG2 3.49Å; I601-V605 PolarHBondContact O-N 3.45Å; I601-L643 HydrophobicContact CG1-CB 4.07Å
602	Q	82.1	Confident	76.8	Confident	140 Å²	140	82.9 Å²	82.9	65%	0.654	42%	0.417	S	S	*	.	H	α-helix	trans	-60.6	-39.8	176.7	-71.3	176.5	-18.2	0	0	111.5	R598 S606	R598-Q602 PolarHBondContact O-N 3.11Å; Q602-S606 VanDerWaalsContact O-CB 3.3Å; Q602-S606 WeakPolarHBondContact O-CB 3.46Å; Q602-S606 PolarHBondContact O-N 2.79Å; Q602-S606 PolarHBondContact O-OG 2.82Å
603	F	82.4	Confident	78	Confident	58 Å²	58	78 Å²	78	25%	0.254	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-43.7	175.8	-173.2	-110.3	0	0	0	112	V589 L593 K599 V600 I601 V605 S606 K607	V589-F603 HydrophobicContact CB-CD1 4.26Å; V589-F603 HydrophobicContact CG1-CD1 4.07Å; V589-F603 HydrophobicContact CG2-CD1 3.83Å; V589-F603 HydrophobicContact CG2-CE1 4.04Å; L593-F603 HydrophobicContact CD1-CB 3.53Å; L593-F603 HydrophobicContact CD1-CD1 3.17Å; L593-F603 HydrophobicContact CD1-CD2 4.2Å; L593-F603 HydrophobicContact CD1-CE1 3.81Å; L593-F603 HydrophobicContact CD1-CG 3.38Å; L593-F603 HydrophobicContact CG-CD1 4.42Å; K599-F603 WeakPolarHBondContact O-CB 3.29Å; K599-F603 PolarHBondContact O-N 2.94Å; V600-F603 PolarHBondContact O-N 3.43Å; I601-F603 VanDerWaalsContact C-N 3.27Å; I601-F603 PolarHBondContact O-N 3.02Å; F603-V605 PolarHBondContact O-N 3.03Å; F603-S606 WeakPolarHBondContact CA-OG 3.31Å; F603-S606 PolarHBondContact O-N 2.83Å; F603-S606 PolarHBondContact O-OG 3.48Å; F603-K607 HydrophobicContact CD1-CG 4.31Å; F603-K607 HydrophobicContact CE1-CG 3.95Å; F603-K607 HydrophobicContact CE2-CG 4.29Å; F603-K607 HydrophobicContact CZ-CG 3.95Å; F603-K607 WeakPolarHBondContact O-CB 3.17Å; F603-K607 PolarHBondContact O-N 2.85Å
604	Y	85.5	Confident	79.5	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-55.7	-51.5	175.2	-174.7	-103.4	0	0	0	111.8	L585 L586 V589 V600 I601 K607 L608 A641 L643 A651 L653	L585-Y604 HydrophobicContact CD2-CE2 4.09Å; L585-Y604 HydrophobicContact CG-CE2 3.91Å; L586-Y604 HydrophobicContact CD1-CE2 4.19Å; V589-Y604 HydrophobicContact CB-CD2 4.12Å; V589-Y604 HydrophobicContact CG1-CD2 4.11Å; V589-Y604 HydrophobicContact CG2-CD2 3.87Å; V600-Y604 WeakPolarHBondContact O-CB 3.44Å; V600-Y604 PolarHBondContact O-N 3.38Å; I601-Y604 WeakPolarHBondContact O-CB 3.39Å; I601-Y604 PolarHBondContact O-N 3.44Å; Y604-K607 PolarHBondContact O-N 3.49Å; Y604-L608 WeakPolarHBondContact O-CB 3.49Å; Y604-L608 PolarHBondContact O-N 2.9Å; Y604-A641 HydrophobicContact CD1-CB 4.46Å; Y604-A641 HydrophobicContact CE1-CB 4.04Å; Y604-L643 HydrophobicContact CD1-CD2 4.26Å; Y604-L643 HydrophobicContact CD1-CG 4.42Å; Y604-L643 HydrophobicContact CD2-CD1 4.45Å; Y604-L643 HydrophobicContact CD2-CD2 3.98Å; Y604-L643 HydrophobicContact CD2-CG 4.47Å; Y604-L643 HydrophobicContact CE1-CD2 4.44Å; Y604-L643 HydrophobicContact CE2-CD2 4.2Å; Y604-L643 HydrophobicContact CG-CD1 4.25Å; Y604-L643 HydrophobicContact CG-CD2 4.03Å; Y604-L643 HydrophobicContact CG-CG 4.13Å; Y604-A651 HydrophobicContact CE1-CB 4.35Å; Y604-A651 HydrophobicContact CE2-CB 4.33Å; Y604-L653 HydrophobicContact CE1-CD2 4.25Å; Y604-L653 WeakPolarHBondContact OH-CD2 3.32Å
605	V	87.8	Confident	81	Confident	31 Å²	31	78 Å²	78	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-44.8	177.9	176.9	0	0	0	0	110.4	I601 F603 K607 L608 D609 A641	I601-V605 WeakPolarHBondContact O-CG2 3.49Å; I601-V605 PolarHBondContact O-N 3.45Å; F603-V605 PolarHBondContact O-N 3.03Å; V605-K607 VanDerWaalsContact C-N 3.31Å; V605-K607 PolarHBondContact O-N 2.97Å; V605-L608 PolarHBondContact O-N 3.46Å; V605-D609 WeakPolarHBondContact O-CB 3.21Å; V605-D609 PolarHBondContact O-N 2.75Å; V605-A641 WeakPolarHBondContact CG2-O 3.33Å
606	S	86.5	Confident	82.8	Confident	61 Å²	61	70.5 Å²	70.5	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-34.9	178.2	74.4	0	0	0	0	113.5	Q602 F603 D609 S610	Q602-S606 VanDerWaalsContact O-CB 3.3Å; Q602-S606 WeakPolarHBondContact O-CB 3.46Å; Q602-S606 PolarHBondContact O-N 2.79Å; Q602-S606 PolarHBondContact O-OG 2.82Å; F603-S606 WeakPolarHBondContact CA-OG 3.31Å; F603-S606 PolarHBondContact O-N 2.83Å; F603-S606 PolarHBondContact O-OG 3.48Å; S606-D609 PolarHBondContact O-N 2.85Å; S606-S610 PolarHBondContact O-N 3Å; S606-S610 VanDerWaalsContact O-N 3.1Å
607	K	87.8	Confident	84.3	Confident	50 Å²	50	63.8 Å²	63.8	22%	0.217	31%	0.311	C	S	.	.	H	α-helix	trans	-70	-43.7	174.7	-90.1	-63.7	-157.3	172.6	0	110.5	L585 V589 F603 Y604 V605 D609 S610 E612 Y613	L585-K607 HydrophobicContact CD1-CB 3.77Å; V589-K607 HydrophobicContact CG2-CB 4.32Å; V589-K607 HydrophobicContact CG2-CG 4.31Å; F603-K607 HydrophobicContact CD1-CG 4.31Å; F603-K607 HydrophobicContact CE1-CG 3.95Å; F603-K607 HydrophobicContact CE2-CG 4.29Å; F603-K607 HydrophobicContact CZ-CG 3.95Å; F603-K607 WeakPolarHBondContact O-CB 3.17Å; F603-K607 PolarHBondContact O-N 2.85Å; Y604-K607 PolarHBondContact O-N 3.49Å; V605-K607 VanDerWaalsContact C-N 3.31Å; V605-K607 PolarHBondContact O-N 2.97Å; K607-D609 VanDerWaalsContact C-N 3.27Å; K607-D609 PolarHBondContact O-N 2.8Å; K607-S610 VanDerWaalsContact O-CB 3.31Å; K607-S610 WeakPolarHBondContact O-CB 2.84Å; K607-S610 PolarHBondContact O-N 3.48Å; K607-S610 VanDerWaalsContact O-N 3.11Å; K607-S610 PolarHBondContact O-OG 3.05Å; K607-E612 IonicContact NZ-OE2 3.62Å; K607-E612 PolarHBondContact NZ-OE2 3.19Å; K607-Y613 WeakPolarHBondContact O-CD2 3.38Å
608	L	89.4	Confident	85.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-36.7	174.4	-177.4	59.4	0	0	0	111.9	L585 Y604 V605 S610 I616 R617 V636 A641	L585-L608 HydrophobicContact CD2-CB 4.2Å; L585-L608 HydrophobicContact CD2-CD1 3.71Å; L585-L608 HydrophobicContact CD2-CG 4.45Å; Y604-L608 WeakPolarHBondContact O-CB 3.49Å; Y604-L608 PolarHBondContact O-N 2.9Å; V605-L608 PolarHBondContact O-N 3.46Å; L608-S610 VanDerWaalsContact C-N 3.29Å; L608-S610 PolarHBondContact O-N 3.47Å; L608-I616 HydrophobicContact CD1-CB 4.4Å; L608-I616 HydrophobicContact CD1-CG2 4.02Å; L608-R617 HydrophobicContact CD1-CG 3.99Å; L608-R617 HydrophobicContact CG-CG 4.1Å; L608-R617 WeakPolarHBondContact O-CD 3.28Å; L608-R617 WeakPolarHBondContact O-CG 3.24Å; L608-R617 PolarHBondContact O-NE 3.12Å; L608-V636 HydrophobicContact CD2-CG1 4.01Å; L608-A641 HydrophobicContact CD2-CB 3.89Å
609	D	90.7	Very high	87.1	Confident	69 Å²	69	57.4 Å²	57.4	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-73.5	-17.2	175.7	-76.3	-29.3	0	0	0	113.9	V605 S606 K607 R617 S638	V605-D609 WeakPolarHBondContact O-CB 3.21Å; V605-D609 PolarHBondContact O-N 2.75Å; S606-D609 PolarHBondContact O-N 2.85Å; K607-D609 VanDerWaalsContact C-N 3.27Å; K607-D609 PolarHBondContact O-N 2.8Å; D609-R617 PolarHBondContact O-NH2 2.75Å; D609-S638 WeakPolarHBondContact OD1-CB 3.36Å; D609-S638 PolarHBondContact OD1-OG 2.98Å
610	S	89.6	Confident	87.9	Confident	33 Å²	33	59 Å²	59	23%	0.231	30%	0.298	C	S	.	.	S	Bend	trans	-66	154.9	179.4	76.8	0	0	0	0	112.8	S606 K607 L608 E612 Y613 A614	S606-S610 PolarHBondContact O-N 3Å; S606-S610 VanDerWaalsContact O-N 3.1Å; K607-S610 VanDerWaalsContact O-CB 3.31Å; K607-S610 WeakPolarHBondContact O-CB 2.84Å; K607-S610 PolarHBondContact O-N 3.48Å; K607-S610 VanDerWaalsContact O-N 3.11Å; K607-S610 PolarHBondContact O-OG 3.05Å; L608-S610 VanDerWaalsContact C-N 3.29Å; L608-S610 PolarHBondContact O-N 3.47Å; S610-E612 PolarHBondContact O-N 2.78Å; S610-E612 WeakPolarHBondContact OG-CB 3.2Å; S610-Y613 PolarHBondContact O-N 2.93Å; S610-Y613 VanDerWaalsContact O-N 3.17Å; S610-A614 PolarHBondContact O-N 2.72Å
611	E	89.5	Confident	88.6	Confident	163 Å²	163	66 Å²	66	76%	0.762	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-59.6	-25.9	175.4	-67.9	-60	145	0	0	112.6	Y613 A614	E611-Y613 PolarHBondContact O-N 2.95Å; E611-A614 WeakPolarHBondContact O-CB 3.47Å; E611-A614 PolarHBondContact O-N 3.18Å
612	E	89.4	Confident	89.2	Confident	108 Å²	108	66 Å²	66	51%	0.505	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-56	-36.9	176.4	-172	-179.6	-175.1	0	0	111.9	K607 S610 H615	K607-E612 IonicContact NZ-OE2 3.62Å; K607-E612 PolarHBondContact NZ-OE2 3.19Å; S610-E612 PolarHBondContact O-N 2.78Å; S610-E612 WeakPolarHBondContact OG-CB 3.2Å; E612-H615 PolarHBondContact O-CE1 3.23Å; E612-H615 PolarHBondContact O-ND1 3.01Å
613	Y	90.5	Very high	89.8	Confident	11 Å²	11	59.7 Å²	59.7	4%	0.043	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-115.4	20.1	-177	-62.9	-74.4	0	0	0	113.3	L585 K607 S610 E611 H615 I616 R617	L585-Y613 WeakPolarHBondContact CA-OH 3.11Å; L585-Y613 HydrophobicContact CB-CD1 4.14Å; L585-Y613 HydrophobicContact CB-CE1 3.74Å; L585-Y613 HydrophobicContact CB-CE2 4.36Å; L585-Y613 HydrophobicContact CD1-CD2 3.73Å; L585-Y613 HydrophobicContact CD1-CE1 4.45Å; L585-Y613 HydrophobicContact CD1-CE2 3.62Å; L585-Y613 HydrophobicContact CD1-CG 4.18Å; L585-Y613 PolarHBondContact N-OH 3.33Å; K607-Y613 WeakPolarHBondContact O-CD2 3.38Å; S610-Y613 PolarHBondContact O-N 2.93Å; S610-Y613 VanDerWaalsContact O-N 3.17Å; E611-Y613 PolarHBondContact O-N 2.95Å; Y613-H615 PolarHBondContact O-N 2.92Å; Y613-I616 HydrophobicContact CD1-CD1 3.55Å; Y613-I616 HydrophobicContact CD1-CG1 4.32Å; Y613-I616 HydrophobicContact CE1-CD1 4.33Å; Y613-I616 HydrophobicContact CG-CD1 4.29Å; Y613-I616 WeakPolarHBondContact O-CB 3.37Å; Y613-I616 PolarHBondContact O-N 3.45Å; Y613-R617 PolarHBondContact O-N 3.26Å
614	A	90.8	Very high	90.5	Very high	26 Å²	26	57.3 Å²	57.3	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-55.3	-35	176.1	0	0	0	0	0	112.5	S610 E611 I616 R617 H618	S610-A614 PolarHBondContact O-N 2.72Å; E611-A614 WeakPolarHBondContact O-CB 3.47Å; E611-A614 PolarHBondContact O-N 3.18Å; A614-I616 PolarHBondContact O-N 2.66Å; A614-R617 PolarHBondContact O-N 3.16Å; A614-R617 VanDerWaalsContact O-N 3.16Å; A614-H618 PolarHBondContact O-N 2.97Å
615	H	90.8	Very high	91.1	Very high	86 Å²	86	57.3 Å²	57.3	40%	0.398	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-17.9	176.3	64.8	-85.5	0	0	0	114.5	D581 E612 Y613	D581-H615 VanDerWaalsContact CG-NE2 3.32Å; D581-H615 IonicContact OD1-NE2 3.01Å; D581-H615 IonicContact OD2-CD2 3.87Å; D581-H615 IonicContact OD2-NE2 3.45Å; D581-H615 PolarHBondContact OD2-NE2 3.15Å; E612-H615 PolarHBondContact O-CE1 3.23Å; E612-H615 PolarHBondContact O-ND1 3.01Å; Y613-H615 PolarHBondContact O-N 2.92Å
616	I	91.6	Very high	91.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-85.9	-39.6	171.4	-59.2	-175.5	0	0	0	110.1	F578 D581 L582 L585 L608 Y613 A614 V636	F578-I616 HydrophobicContact CE2-CB 4.41Å; F578-I616 HydrophobicContact CE2-CG2 3.86Å; F578-I616 HydrophobicContact CZ-CG2 4.38Å; D581-I616 HydrophobicContact CB-CD1 3.76Å; D581-I616 HydrophobicContact CB-CG1 4.06Å; L582-I616 HydrophobicContact CD2-CD1 4.16Å; L582-I616 HydrophobicContact CD2-CG2 3.69Å; L585-I616 HydrophobicContact CD2-CD1 4.46Å; L608-I616 HydrophobicContact CD1-CB 4.4Å; L608-I616 HydrophobicContact CD1-CG2 4.02Å; Y613-I616 HydrophobicContact CD1-CD1 3.55Å; Y613-I616 HydrophobicContact CD1-CG1 4.32Å; Y613-I616 HydrophobicContact CE1-CD1 4.33Å; Y613-I616 HydrophobicContact CG-CD1 4.29Å; Y613-I616 WeakPolarHBondContact O-CB 3.37Å; Y613-I616 PolarHBondContact O-N 3.45Å; A614-I616 PolarHBondContact O-N 2.66Å; I616-V636 HydrophobicContact CG2-CB 4.12Å; I616-V636 HydrophobicContact CG2-CG2 3.66Å; I616-V636 PolarHBondContact O-N 2.85Å; I616-V636 VanDerWaalsContact O-N 3.11Å
617	R	92.1	Very high	92	Very high	43 Å²	43	53 Å²	53	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-38.1	179	-71.8	-165.9	-68.9	116.8	-8.5	112.4	L608 D609 Y613 A614 G635 V636	L608-R617 HydrophobicContact CD1-CG 3.99Å; L608-R617 HydrophobicContact CG-CG 4.1Å; L608-R617 WeakPolarHBondContact O-CD 3.28Å; L608-R617 WeakPolarHBondContact O-CG 3.24Å; L608-R617 PolarHBondContact O-NE 3.12Å; D609-R617 PolarHBondContact O-NH2 2.75Å; Y613-R617 PolarHBondContact O-N 3.26Å; A614-R617 PolarHBondContact O-N 3.16Å; A614-R617 VanDerWaalsContact O-N 3.16Å; R617-G635 WeakPolarHBondContact O-CA 3.46Å; R617-V636 PolarHBondContact O-N 3.47Å
618	H	91.3	Very high	92.4	Very high	121 Å²	121	51.4 Å²	51.4	56%	0.56	26%	0.257	S	S	*	.	S	Bend	trans	-131.3	112	179.1	-59.3	-64.1	0	0	0	109.3	A614	A614-H618 PolarHBondContact O-N 2.97Å
619	I	91.9	Very high	92.7	Very high	23 Å²	23	51.8 Å²	51.8	12%	0.118	26%	0.26	C	S	.	.			trans	-98.2	110	179.7	-57	173	0	0	0	107.7	F578 K621 F623 V633 C634	F578-I619 HydrophobicContact CD2-CD1 4.11Å; F578-I619 HydrophobicContact CE2-CD1 3.69Å; F578-I619 HydrophobicContact CE2-CG1 4.36Å; F578-I619 HydrophobicContact CZ-CD1 4.17Å; I619-K621 VanDerWaalsContact CG2-O 3.3Å; I619-K621 WeakPolarHBondContact CG2-O 3.36Å; I619-K621 PolarHBondContact O-N 3.17Å; I619-F623 HydrophobicContact CD1-CE1 3.94Å; I619-F623 HydrophobicContact CD1-CZ 4.03Å; I619-F623 HydrophobicContact CG2-CD1 3.93Å; I619-F623 HydrophobicContact CG2-CE1 3.62Å; I619-V633 HydrophobicContact CD1-CB 4.45Å; I619-V633 HydrophobicContact CD1-CG1 3.97Å; I619-V633 HydrophobicContact CD1-CG2 3.89Å; I619-C634 WeakPolarHBondContact CB-O 3.42Å; I619-C634 PolarHBondContact N-O 3.49Å
620	D	88.7	Confident	92.9	Very high	161 Å²	161	52.8 Å²	52.8	86%	0.861	27%	0.265	S	S	*	.	S	Bend	trans	-56	-35.7	-177.2	-64.5	-31.1	0	0	0	113.3
621	K	91	Very high	93.3	Very high	149 Å²	149	52.3 Å²	52.3	65%	0.648	26%	0.259	S	S	*	.	S	Bend	trans	-123.1	96.7	179	-68	-178.3	-177	174.9	0	109.3	I619 F623	I619-K621 VanDerWaalsContact CG2-O 3.3Å; I619-K621 WeakPolarHBondContact CG2-O 3.36Å; I619-K621 PolarHBondContact O-N 3.17Å; K621-F623 WeakPolarHBondContact O-CD1 3.4Å
622	P	93.9	Very high	93.6	Very high	54 Å²	54	47.4 Å²	47.4	35%	0.351	24%	0.238	S	C	.	.			trans	-57.2	140.1	179.7	-25.5	34.3	0	0	0	111.9	I632 V633 C634 P658	P622-I632 HydrophobicContact CB-CG2 3.56Å; P622-V633 VanDerWaalsContact CA-O 3.22Å; P622-V633 WeakPolarHBondContact CA-O 3.34Å; P622-V633 WeakPolarHBondContact CB-O 3.47Å; P622-C634 HydrophobicContact CB-CB 4.28Å; P622-C634 HydrophobicContact CG-CB 3.9Å; P622-P658 HydrophobicContact CB-CG 4.36Å
623	F	95.3	Very high	93.9	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.8	-179.8	57.6	-98.3	0	0	0	110.6	E571 Q574 Q575 F578 I619 K621 V633	E571-F623 HydrophobicContact CB-CB 4.31Å; E571-F623 HydrophobicContact CG-CB 4.16Å; Q574-F623 HydrophobicContact CB-CD1 3.89Å; Q574-F623 HydrophobicContact CB-CE1 4.15Å; Q574-F623 HydrophobicContact CB-CG 4.27Å; Q575-F623 HydrophobicContact CB-CD2 4.45Å; Q575-F623 HydrophobicContact CB-CE2 4.35Å; Q575-F623 HydrophobicContact CG-CD2 3.57Å; Q575-F623 HydrophobicContact CG-CE2 3.83Å; F578-F623 HydrophobicContact CB-CE1 4.49Å; F578-F623 HydrophobicContact CB-CE2 4.3Å; F578-F623 HydrophobicContact CB-CZ 3.61Å; F578-F623 HydrophobicContact CD1-CE2 4.26Å; F578-F623 AromaticContact CD1-CZ 3.97Å; F578-F623 HydrophobicContact CD1-CZ 3.97Å; F578-F623 HydrophobicContact CD2-CZ 4.05Å; F578-F623 HydrophobicContact CG-CE2 4.33Å; F578-F623 AromaticContact CG-CZ 3.63Å; F578-F623 HydrophobicContact CG-CZ 3.63Å; I619-F623 HydrophobicContact CD1-CE1 3.94Å; I619-F623 HydrophobicContact CD1-CZ 4.03Å; I619-F623 HydrophobicContact CG2-CD1 3.93Å; I619-F623 HydrophobicContact CG2-CE1 3.62Å; K621-F623 WeakPolarHBondContact O-CD1 3.4Å; F623-V633 HydrophobicContact CD2-CG1 4.02Å; F623-V633 HydrophobicContact CE2-CG1 3.68Å; F623-V633 HydrophobicContact CZ-CG1 3.99Å; F623-V633 PolarHBondContact N-O 2.92Å; F623-V633 WeakPolarHBondContact O-CG1 2.98Å; F623-V633 PolarHBondContact O-N 3.23Å
624	P	96.8	Very high	94	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.045	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.9	177.5	-26.5	37.6	0	0	0	113.4	F509 Q575 I631 I632	F509-P624 HydrophobicContact CD1-CB 4.39Å; F509-P624 HydrophobicContact CD1-CG 4.19Å; F509-P624 HydrophobicContact CE1-CB 3.43Å; F509-P624 VanDerWaalsContact CE1-CB 3.43Å; F509-P624 HydrophobicContact CE1-CG 3.41Å; F509-P624 VanDerWaalsContact CE1-CG 3.41Å; F509-P624 HydrophobicContact CZ-CB 3.99Å; F509-P624 HydrophobicContact CZ-CG 3.77Å; Q575-P624 VanDerWaalsContact CG-O 3.32Å; Q575-P624 WeakPolarHBondContact CG-O 3.04Å; Q575-P624 PolarHBondContact NE2-O 2.95Å; P624-I631 CarbonylContact C-O 3.59Å; P624-I631 WeakPolarHBondContact CA-O 3.42Å; P624-I632 HydrophobicContact CB-CD1 4.14Å; P624-I632 HydrophobicContact CG-CD1 3.73Å
625	L	96.8	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132	177.7	-175.4	71.7	0	0	0	110.7	L627 N628 I631 F655 Y663	L625-L627 VanDerWaalsContact C-N 3.3Å; L625-L627 HydrophobicContact CD2-CB 4.18Å; L625-L627 HydrophobicContact CG-CB 4.33Å; L625-L627 PolarHBondContact O-N 3.49Å; L625-N628 CarbonylContact O-C 3.58Å; L625-N628 PolarHBondContact O-N 3.47Å; L625-N628 VanDerWaalsContact O-N 3.1Å; L625-N628 VanDerWaalsContact O-O 3.11Å; L625-I631 HydrophobicContact CB-CB 4.31Å; L625-I631 HydrophobicContact CB-CG2 4.48Å; L625-I631 PolarHBondContact N-O 3.18Å; L625-F655 HydrophobicContact CD1-CD1 4.33Å; L625-F655 HydrophobicContact CD1-CD2 3.97Å; L625-F655 HydrophobicContact CD1-CE1 4.2Å; L625-F655 HydrophobicContact CD1-CE2 3.78Å; L625-F655 HydrophobicContact CD1-CG 4.23Å; L625-F655 HydrophobicContact CD1-CZ 3.92Å; L625-F655 HydrophobicContact CD2-CD2 3.88Å; L625-F655 HydrophobicContact CD2-CE2 4.04Å; L625-Y663 HydrophobicContact CD2-CD1 3.62Å; L625-Y663 HydrophobicContact CD2-CE1 3.75Å
626	P	96.6	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-45.9	178.4	-34.3	40.4	0	0	0	114.5	N513 W517 Q575 I579 N628 L705	N513-P626 PolarHBondContact ND2-O 3.33Å; W517-P626 HydrophobicContact CZ2-CB 3.93Å; W517-P626 HydrophobicContact CZ2-CG 3.72Å; Q575-P626 HydrophobicContact CB-CG 3.84Å; Q575-P626 HydrophobicContact CG-CG 3.8Å; I579-P626 HydrophobicContact CD1-CG 4.17Å; I579-P626 HydrophobicContact CG1-CG 4.05Å; P626-N628 VanDerWaalsContact C-N 3.33Å; P626-N628 PolarHBondContact O-N 3.39Å; P626-L705 VanDerWaalsContact C-CD2 3.49Å; P626-L705 HydrophobicContact CB-CD2 3.74Å; P626-L705 VanDerWaalsContact O-CD2 3.32Å; P626-L705 WeakPolarHBondContact O-CD2 3.43Å
627	L	97.2	Very high	94.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.3	-177.8	177.9	64.4	0	0	0	112.7	Y514 L625 Y663 A665 K703 L705 L713 Q715	Y514-L627 PolarHBondContact OH-O 2.99Å; L625-L627 VanDerWaalsContact C-N 3.3Å; L625-L627 HydrophobicContact CD2-CB 4.18Å; L625-L627 HydrophobicContact CG-CB 4.33Å; L625-L627 PolarHBondContact O-N 3.49Å; L627-Y663 HydrophobicContact CD2-CE1 4.04Å; L627-A665 HydrophobicContact CD2-CB 3.88Å; L627-K703 HydrophobicContact CD1-CB 3.74Å; L627-K703 HydrophobicContact CG-CB 4.08Å; L627-K703 WeakPolarHBondContact O-CD 3.36Å; L627-L705 HydrophobicContact CD1-CB 3.87Å; L627-L713 HydrophobicContact CB-CB 4.12Å; L627-L713 HydrophobicContact CB-CD1 4.06Å; L627-L713 HydrophobicContact CD1-CB 4.19Å; L627-L713 HydrophobicContact CD2-CB 4.07Å; L627-L713 HydrophobicContact CG-CB 4.36Å; L627-Q715 HydrophobicContact CD2-CB 4.24Å
628	N	96.6	Very high	94.3	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	96.1	180	-171.4	2.8	0	0	0	109.6	L625 P626 D630 I631 K703	L625-N628 CarbonylContact O-C 3.58Å; L625-N628 PolarHBondContact O-N 3.47Å; L625-N628 VanDerWaalsContact O-N 3.1Å; L625-N628 VanDerWaalsContact O-O 3.11Å; P626-N628 VanDerWaalsContact C-N 3.33Å; P626-N628 PolarHBondContact O-N 3.39Å; N628-D630 PolarHBondContact O-N 3.4Å; N628-D630 PolarHBondContact OD1-N 2.85Å; N628-D630 PolarHBondContact OD1-OD2 3.04Å; N628-I631 HydrophobicContact CB-CG1 3.99Å; N628-I631 PolarHBondContact O-N 2.84Å; N628-K703 HydrophobicContact CB-CD 3.93Å; N628-K703 PolarHBondContact OD1-NZ 2.87Å
629	P	96.2	Very high	94.3	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-9.4	-175	24.5	-34.7	0	0	0	114.6	F509 R510 N513 Y514 I631	F509-P629 HydrophobicContact CD1-CB 4.03Å; F509-P629 HydrophobicContact CE1-CB 3.93Å; R510-P629 HydrophobicContact CB-CG 4.05Å; R510-P629 HydrophobicContact CG-CB 4.39Å; R510-P629 HydrophobicContact CG-CG 3.82Å; N513-P629 HydrophobicContact CB-CB 4.11Å; N513-P629 HydrophobicContact CB-CG 4.41Å; Y514-P629 HydrophobicContact CE2-CG 4.27Å; Y514-P629 WeakPolarHBondContact OH-CD 3.11Å; P629-I631 VanDerWaalsContact C-N 3.31Å
630	D	94.9	Very high	94.2	Very high	90 Å²	90	40.4 Å²	40.4	48%	0.481	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-14.2	173.8	-54.4	-47.8	0	0	0	112.6	R510 N628	R510-D630 WeakPolarHBondContact CD-OD1 3.36Å; R510-D630 IonicContact NE-OD1 3.69Å; R510-D630 IonicContact NE-OD2 3.19Å; N628-D630 PolarHBondContact O-N 3.4Å; N628-D630 PolarHBondContact OD1-N 2.85Å; N628-D630 PolarHBondContact OD1-OD2 3.04Å
631	I	96.3	Very high	94.3	Very high	22 Å²	22	33 Å²	33	11%	0.113	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.8	179.9	-57.8	-61.7	0	0	0	109	P624 L625 N628 P629 Q657 Y663	P624-I631 CarbonylContact C-O 3.59Å; P624-I631 WeakPolarHBondContact CA-O 3.42Å; L625-I631 HydrophobicContact CB-CB 4.31Å; L625-I631 HydrophobicContact CB-CG2 4.48Å; L625-I631 PolarHBondContact N-O 3.18Å; N628-I631 HydrophobicContact CB-CG1 3.99Å; N628-I631 PolarHBondContact O-N 2.84Å; P629-I631 VanDerWaalsContact C-N 3.31Å; I631-Q657 HydrophobicContact CG2-CG 3.91Å; I631-Y663 HydrophobicContact CD1-CD2 3.94Å; I631-Y663 HydrophobicContact CD1-CE2 4.47Å; I631-Y663 HydrophobicContact CG1-CD2 3.76Å; I631-Y663 HydrophobicContact CG1-CE2 4.08Å; I631-Y663 HydrophobicContact CG1-CG 4.14Å; I631-Y663 HydrophobicContact CG2-CG 4.12Å
632	I	96.5	Very high	94.4	Very high	60 Å²	60	28 Å²	28	31%	0.308	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.4	175.3	-54.3	-55.7	0	0	0	109.1	P622 P624 Q657 P658	P622-I632 HydrophobicContact CB-CG2 3.56Å; P624-I632 HydrophobicContact CB-CD1 4.14Å; P624-I632 HydrophobicContact CG-CD1 3.73Å; I632-Q657 WeakPolarHBondContact O-CA 3.33Å; I632-Q657 WeakPolarHBondContact O-CG 3.38Å; I632-P658 HydrophobicContact CB-CG 4.29Å; I632-P658 HydrophobicContact CG2-CG 3.92Å; I632-P658 VanDerWaalsContact O-CD 3.31Å; I632-P658 WeakPolarHBondContact O-CD 3.48Å
633	V	94.8	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.4	-179	62	0	0	0	0	111.4	I619 P622 F623 G635 F655	I619-V633 HydrophobicContact CD1-CB 4.45Å; I619-V633 HydrophobicContact CD1-CG1 3.97Å; I619-V633 HydrophobicContact CD1-CG2 3.89Å; P622-V633 VanDerWaalsContact CA-O 3.22Å; P622-V633 WeakPolarHBondContact CA-O 3.34Å; P622-V633 WeakPolarHBondContact CB-O 3.47Å; F623-V633 HydrophobicContact CD2-CG1 4.02Å; F623-V633 HydrophobicContact CE2-CG1 3.68Å; F623-V633 HydrophobicContact CZ-CG1 3.99Å; F623-V633 PolarHBondContact N-O 2.92Å; F623-V633 WeakPolarHBondContact O-CG1 2.98Å; F623-V633 PolarHBondContact O-N 3.23Å; V633-G635 WeakPolarHBondContact CG2-O 3.49Å; V633-F655 HydrophobicContact CG2-CB 3.89Å; V633-F655 HydrophobicContact CG2-CD1 3.74Å; V633-F655 HydrophobicContact CG2-CG 4.16Å
634	C	94.3	Very high	93.8	Very high	32 Å²	32	29.2 Å²	29.2	22%	0.216	17%	0.166	C	C	.	.			trans	-109.3	-3.4	171.8	66.9	0	0	0	0	113.2	I619 P622 I656	I619-C634 WeakPolarHBondContact CB-O 3.42Å; I619-C634 PolarHBondContact N-O 3.49Å; P622-C634 HydrophobicContact CB-CB 4.28Å; P622-C634 HydrophobicContact CG-CB 3.9Å; C634-I656 PolarHBondContact N-O 2.98Å; C634-I656 PolarHBondContact SG-O 3.21Å
635	G	94.1	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.8	177.6	-179.6	0	0	0	0	0	114	R617 V633 F655 I656	R617-G635 WeakPolarHBondContact O-CA 3.46Å; V633-G635 WeakPolarHBondContact CG2-O 3.49Å; G635-F655 WeakPolarHBondContact O-CA 3.07Å; G635-I656 PolarHBondContact O-N 2.87Å
636	V	94.6	Very high	92.1	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.3	174	179.7	0	0	0	0	109.5	F578 L608 I616 R617 S638 L653 T654 F655	F578-V636 HydrophobicContact CE2-CG2 4.46Å; F578-V636 HydrophobicContact CZ-CG2 3.95Å; L608-V636 HydrophobicContact CD2-CG1 4.01Å; I616-V636 HydrophobicContact CG2-CB 4.12Å; I616-V636 HydrophobicContact CG2-CG2 3.66Å; I616-V636 PolarHBondContact O-N 2.85Å; I616-V636 VanDerWaalsContact O-N 3.11Å; R617-V636 PolarHBondContact O-N 3.47Å; V636-S638 PolarHBondContact O-N 3.12Å; V636-L653 HydrophobicContact CG1-CB 4.46Å; V636-L653 HydrophobicContact CG1-CD2 3.92Å; V636-T654 WeakPolarHBondContact CA-O 3.36Å; V636-F655 HydrophobicContact CG2-CD1 3.75Å; V636-F655 HydrophobicContact CG2-CE1 3.78Å
637	Q	93	Very high	91	Very high	63 Å²	63	50.8 Å²	50.8	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.4	174.4	-172.7	172.5	-5.9	0	0	110.5	S639 T640 T654 I656	Q637-S639 WeakPolarHBondContact CG-OG 3.39Å; Q637-S639 PolarHBondContact NE2-OG 3.48Å; Q637-T640 HydrophobicContact CG-CG2 4.48Å; Q637-T640 PolarHBondContact O-OG1 3.02Å; Q637-T654 HydrophobicContact CB-CG2 4.46Å; Q637-T654 PolarHBondContact N-O 3.24Å; Q637-I656 HydrophobicContact CB-CD1 3.96Å; Q637-I656 HydrophobicContact CB-CG1 4.07Å
638	S	90.5	Very high	90.1	Very high	23 Å²	23	53.5 Å²	53.5	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-35.2	-178.3	55.6	0	0	0	0	113.6	D609 V636 T640 A641	D609-S638 WeakPolarHBondContact OD1-CB 3.36Å; D609-S638 PolarHBondContact OD1-OG 2.98Å; V636-S638 PolarHBondContact O-N 3.12Å; S638-T640 PolarHBondContact O-N 3.26Å; S638-A641 WeakPolarHBondContact O-CB 3.43Å; S638-A641 PolarHBondContact O-N 3.43Å; S638-A641 VanDerWaalsContact O-N 3.09Å
639	S	90	Very high	89.5	Confident	91 Å²	91	54.4 Å²	54.4	64%	0.636	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	-24.4	-175.9	66.2	0	0	0	0	114.5	Q637	Q637-S639 WeakPolarHBondContact CG-OG 3.39Å; Q637-S639 PolarHBondContact NE2-OG 3.48Å
640	T	90.8	Very high	89.3	Confident	59 Å²	59	54.5 Å²	54.5	36%	0.362	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-4.9	178.7	54.3	0	0	0	0	112.5	Q637 S638 T654	Q637-T640 HydrophobicContact CG-CG2 4.48Å; Q637-T640 PolarHBondContact O-OG1 3.02Å; S638-T640 PolarHBondContact O-N 3.26Å; T640-T654 WeakPolarHBondContact OG1-CB 3.4Å; T640-T654 PolarHBondContact OG1-OG1 3.22Å
641	A	91.1	Very high	89.3	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.7	179.7	0	0	0	0	0	110.5	Y604 V605 L608 S638 L652 L653	Y604-A641 HydrophobicContact CD1-CB 4.46Å; Y604-A641 HydrophobicContact CE1-CB 4.04Å; V605-A641 WeakPolarHBondContact CG2-O 3.33Å; L608-A641 HydrophobicContact CD2-CB 3.89Å; S638-A641 WeakPolarHBondContact O-CB 3.43Å; S638-A641 PolarHBondContact O-N 3.43Å; S638-A641 VanDerWaalsContact O-N 3.09Å; A641-L652 WeakPolarHBondContact CA-O 3.31Å; A641-L653 HydrophobicContact CB-CD2 4.4Å
642	T	92	Very high	89.2	Confident	46 Å²	46	49.6 Å²	49.6	28%	0.282	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	168.5	-178.7	-170.8	0	0	0	0	111.4	A651 L652	T642-A651 CarbonylContact O-C 3.55Å; T642-A651 WeakPolarHBondContact O-CA 3.45Å; T642-L652 HydrophobicContact CG2-CB 3.81Å; T642-L652 HydrophobicContact CG2-CD2 3.8Å; T642-L652 HydrophobicContact CG2-CG 4.3Å; T642-L652 PolarHBondContact N-O 3.33Å; T642-L652 VanDerWaalsContact N-O 3.12Å; T642-L652 PolarHBondContact O-N 2.84Å
643	L	89.8	Confident	89.2	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134	175.6	-58.3	175.1	0	0	0	109.5	L586 V589 V600 I601 Y604 P650 A651	L586-L643 HydrophobicContact CD1-CD2 3.94Å; V589-L643 HydrophobicContact CG1-CD1 4.14Å; V600-L643 HydrophobicContact CB-CD1 4.48Å; V600-L643 HydrophobicContact CG1-CD1 3.56Å; I601-L643 HydrophobicContact CG1-CB 4.07Å; Y604-L643 HydrophobicContact CD1-CD2 4.26Å; Y604-L643 HydrophobicContact CD1-CG 4.42Å; Y604-L643 HydrophobicContact CD2-CD1 4.45Å; Y604-L643 HydrophobicContact CD2-CD2 3.98Å; Y604-L643 HydrophobicContact CD2-CG 4.47Å; Y604-L643 HydrophobicContact CE1-CD2 4.44Å; Y604-L643 HydrophobicContact CE2-CD2 4.2Å; Y604-L643 HydrophobicContact CG-CD1 4.25Å; Y604-L643 HydrophobicContact CG-CD2 4.03Å; Y604-L643 HydrophobicContact CG-CG 4.13Å; L643-P650 WeakPolarHBondContact CA-O 3.48Å; L643-A651 HydrophobicContact CD2-CB 3.57Å
644	F	87.4	Confident	89.3	Confident	75 Å²	75	47 Å²	47	33%	0.329	24%	0.244	S	C	.	.			trans	-68.3	152.9	170.7	-68.4	-90.4	0	0	0	110.5	S646 P650 L652 I666 F716	F644-S646 PolarHBondContact O-N 3.41Å; F644-P650 HydrophobicContact CB-CG 3.88Å; F644-P650 HydrophobicContact CD2-CB 4.49Å; F644-P650 HydrophobicContact CD2-CG 3.94Å; F644-P650 WeakPolarHBondContact CD2-O 3.31Å; F644-P650 HydrophobicContact CG-CG 4.25Å; F644-P650 PolarHBondContact N-O 3.46Å; F644-L652 HydrophobicContact CE2-CB 3.81Å; F644-L652 HydrophobicContact CZ-CB 4.35Å; F644-I666 HydrophobicContact CD2-CG2 4.24Å; F644-I666 HydrophobicContact CE2-CB 4.47Å; F644-I666 HydrophobicContact CE2-CD1 3.84Å; F644-I666 HydrophobicContact CE2-CG1 3.87Å; F644-I666 HydrophobicContact CE2-CG2 3.89Å; F644-I666 HydrophobicContact CZ-CD1 3.9Å; F644-I666 HydrophobicContact CZ-CG1 4.24Å; F644-F716 HydrophobicContact CE1-CE2 4.48Å; F644-F716 HydrophobicContact CZ-CD2 4.17Å; F644-F716 AromaticContact CZ-CE2 3.88Å; F644-F716 HydrophobicContact CZ-CE2 3.88Å
645	K	79	Confident	89.3	Confident	199 Å²	199	45.5 Å²	45.5	87%	0.865	23%	0.234	S	C	*	.	S	Bend	trans	-77.2	2.3	-176.3	-63.3	178.1	-176.3	169.4	0	114.3
646	S	78.1	Confident	89.4	Confident	62 Å²	62	47.8 Å²	47.8	43%	0.434	25%	0.245	S	C	.	.	S	Bend	trans	-71.8	168.5	-177.2	68	0	0	0	0	112.4	F644 Q648 R649 P650	F644-S646 PolarHBondContact O-N 3.41Å; S646-Q648 VanDerWaalsContact C-N 3.33Å; S646-Q648 PolarHBondContact O-N 3.43Å; S646-R649 WeakPolarHBondContact O-CG 3.42Å; S646-R649 PolarHBondContact O-N 2.99Å; S646-P650 WeakPolarHBondContact OG-CD 3.28Å
647	F	74.4	Confident	89.5	Confident	200 Å²	200	49.1 Å²	49.1	88%	0.877	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-45.5	-175.7	-177.1	-104.4	0	0	0	113	R649	F647-R649 VanDerWaalsContact C-N 3.32Å; F647-R649 PolarHBondContact O-N 3.17Å
648	Q	77.9	Confident	89.4	Confident	58 Å²	58	50.3 Å²	50.3	27%	0.271	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.6	179.9	-63.8	-168.1	5.5	0	0	114.7	S646 H669 D671	S646-Q648 VanDerWaalsContact C-N 3.33Å; S646-Q648 PolarHBondContact O-N 3.43Å; Q648-H669 PolarHBondContact OE1-O 3.27Å; Q648-D671 VanDerWaalsContact CD-CG 3.44Å; Q648-D671 PolarHBondContact NE2-OD1 2.87Å; Q648-D671 PolarHBondContact OE1-OD1 3.44Å; Q648-D671 PolarHBondContact OE1-OD2 3.42Å; Q648-D671 VanDerWaalsContact OE1-OD2 3.06Å
649	R	84.9	Confident	89.5	Confident	37 Å²	37	54.3 Å²	54.3	14%	0.14	28%	0.284	C	S	.	.			trans	45.7	58.5	176.7	-56.8	-178.6	-175.6	171.5	4.6	114	T590 L593 S646 F647	T590-R649 HydrophobicContact CG2-CB 4.49Å; L593-R649 PolarHBondContact O-NH1 3.13Å; S646-R649 WeakPolarHBondContact O-CG 3.42Å; S646-R649 PolarHBondContact O-N 2.99Å; F647-R649 VanDerWaalsContact C-N 3.32Å; F647-R649 PolarHBondContact O-N 3.17Å
650	P	91.5	Very high	89.6	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.058	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-64	148.5	179.2	29.1	-33.4	0	0	0	111	L643 F644 S646 I666 L667 K668	L643-P650 WeakPolarHBondContact CA-O 3.48Å; F644-P650 HydrophobicContact CB-CG 3.88Å; F644-P650 HydrophobicContact CD2-CB 4.49Å; F644-P650 HydrophobicContact CD2-CG 3.94Å; F644-P650 WeakPolarHBondContact CD2-O 3.31Å; F644-P650 HydrophobicContact CG-CG 4.25Å; F644-P650 PolarHBondContact N-O 3.46Å; S646-P650 WeakPolarHBondContact OG-CD 3.28Å; P650-I666 HydrophobicContact CB-CG2 3.73Å; P650-I666 HydrophobicContact CG-CG2 4.36Å; P650-L667 CarbonylContact C-O 3.57Å; P650-L667 WeakPolarHBondContact CA-O 3.45Å; P650-L667 WeakPolarHBondContact CB-O 3.41Å; P650-K668 HydrophobicContact CB-CB 4.47Å; P650-K668 HydrophobicContact CB-CG 3.79Å
651	A	93.7	Very high	89.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.2	-174	0	0	0	0	0	111.3	L586 Y604 T642 L643 I666 L667	L586-A651 HydrophobicContact CD1-CB 4.06Å; Y604-A651 HydrophobicContact CE1-CB 4.35Å; Y604-A651 HydrophobicContact CE2-CB 4.33Å; T642-A651 CarbonylContact O-C 3.55Å; T642-A651 WeakPolarHBondContact O-CA 3.45Å; L643-A651 HydrophobicContact CD2-CB 3.57Å; A651-I666 CarbonylContact O-C 3.55Å; A651-I666 VanDerWaalsContact O-CA 3.31Å; A651-I666 WeakPolarHBondContact O-CA 3.4Å; A651-L667 HydrophobicContact CB-CB 4.35Å; A651-L667 PolarHBondContact N-O 2.88Å; A651-L667 PolarHBondContact O-N 3.24Å
652	L	95.5	Very high	89.9	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.2	168.4	177	61.1	0	0	0	108.8	A641 T642 F644 R664 I666 F716	A641-L652 WeakPolarHBondContact CA-O 3.31Å; T642-L652 HydrophobicContact CG2-CB 3.81Å; T642-L652 HydrophobicContact CG2-CD2 3.8Å; T642-L652 HydrophobicContact CG2-CG 4.3Å; T642-L652 PolarHBondContact N-O 3.33Å; T642-L652 VanDerWaalsContact N-O 3.12Å; T642-L652 PolarHBondContact O-N 2.84Å; F644-L652 HydrophobicContact CE2-CB 3.81Å; F644-L652 HydrophobicContact CZ-CB 4.35Å; L652-R664 HydrophobicContact CD1-CB 4.4Å; L652-I666 HydrophobicContact CD1-CG1 4.35Å; L652-F716 HydrophobicContact CD1-CB 3.84Å; L652-F716 HydrophobicContact CD1-CD1 4.31Å; L652-F716 HydrophobicContact CD1-CD2 3.66Å; L652-F716 HydrophobicContact CD1-CE2 4.34Å; L652-F716 HydrophobicContact CD1-CG 3.65Å; L652-F716 HydrophobicContact CD2-CE2 4.44Å
653	L	95.4	Very high	90.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.6	-179.4	-63.7	176.2	0	0	0	110	L582 Y604 V636 A641 F655 R664 A665 L667	L582-L653 HydrophobicContact CD1-CD1 4.08Å; L582-L653 HydrophobicContact CD2-CD1 3.76Å; Y604-L653 HydrophobicContact CE1-CD2 4.25Å; Y604-L653 WeakPolarHBondContact OH-CD2 3.32Å; V636-L653 HydrophobicContact CG1-CB 4.46Å; V636-L653 HydrophobicContact CG1-CD2 3.92Å; A641-L653 HydrophobicContact CB-CD2 4.4Å; L653-F655 HydrophobicContact CB-CE1 4.49Å; L653-F655 HydrophobicContact CB-CE2 4.49Å; L653-F655 HydrophobicContact CB-CZ 4.19Å; L653-F655 HydrophobicContact CD1-CE1 4.43Å; L653-F655 HydrophobicContact CD1-CZ 4.13Å; L653-R664 VanDerWaalsContact O-CA 3.32Å; L653-R664 WeakPolarHBondContact O-CA 3.41Å; L653-A665 PolarHBondContact N-O 3.21Å; L653-A665 PolarHBondContact O-N 3.29Å; L653-L667 HydrophobicContact CD1-CB 4.21Å; L653-L667 HydrophobicContact CD1-CD2 4.42Å
654	T	96.8	Very high	90.5	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	109.1	171.8	-55.9	0	0	0	0	108.3	V636 Q637 T640 T662 R664	V636-T654 WeakPolarHBondContact CA-O 3.36Å; Q637-T654 HydrophobicContact CB-CG2 4.46Å; Q637-T654 PolarHBondContact N-O 3.24Å; T640-T654 WeakPolarHBondContact OG1-CB 3.4Å; T640-T654 PolarHBondContact OG1-OG1 3.22Å; T654-T662 HydrophobicContact CG2-CG2 3.81Å; T654-R664 HydrophobicContact CG2-CG 4.13Å
655	F	96.3	Very high	91	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.7	175.5	-59.7	-66.4	0	0	0	109.9	F578 L582 L625 V633 G635 V636 L653 T662 Y663 A665	F578-F655 HydrophobicContact CE1-CD1 4.48Å; F578-F655 AromaticContact CE1-CE1 3.79Å; F578-F655 HydrophobicContact CE1-CE1 3.79Å; F578-F655 HydrophobicContact CZ-CD1 4.28Å; F578-F655 AromaticContact CZ-CE1 3.82Å; F578-F655 HydrophobicContact CZ-CE1 3.82Å; L582-F655 HydrophobicContact CD1-CE1 4.39Å; L582-F655 HydrophobicContact CD1-CZ 4.48Å; L625-F655 HydrophobicContact CD1-CD1 4.33Å; L625-F655 HydrophobicContact CD1-CD2 3.97Å; L625-F655 HydrophobicContact CD1-CE1 4.2Å; L625-F655 HydrophobicContact CD1-CE2 3.78Å; L625-F655 HydrophobicContact CD1-CG 4.23Å; L625-F655 HydrophobicContact CD1-CZ 3.92Å; L625-F655 HydrophobicContact CD2-CD2 3.88Å; L625-F655 HydrophobicContact CD2-CE2 4.04Å; V633-F655 HydrophobicContact CG2-CB 3.89Å; V633-F655 HydrophobicContact CG2-CD1 3.74Å; V633-F655 HydrophobicContact CG2-CG 4.16Å; G635-F655 WeakPolarHBondContact O-CA 3.07Å; V636-F655 HydrophobicContact CG2-CD1 3.75Å; V636-F655 HydrophobicContact CG2-CE1 3.78Å; L653-F655 HydrophobicContact CB-CE1 4.49Å; L653-F655 HydrophobicContact CB-CE2 4.49Å; L653-F655 HydrophobicContact CB-CZ 4.19Å; L653-F655 HydrophobicContact CD1-CE1 4.43Å; L653-F655 HydrophobicContact CD1-CZ 4.13Å; F655-T662 CarbonylContact O-C 3.43Å; F655-T662 VanDerWaalsContact O-CA 3.27Å; F655-T662 WeakPolarHBondContact O-CA 3.34Å; F655-Y663 WeakPolarHBondContact CB-O 3.45Å; F655-Y663 HydrophobicContact CD2-CD1 4.26Å; F655-Y663 WeakPolarHBondContact CD2-O 3.38Å; F655-Y663 PolarHBondContact N-O 3.34Å; F655-Y663 PolarHBondContact O-N 3.47Å; F655-A665 HydrophobicContact CD2-CB 4.37Å; F655-A665 HydrophobicContact CE2-CB 3.71Å
656	I	95.7	Very high	91.8	Very high	48 Å²	48	47.5 Å²	47.5	25%	0.246	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.7	179.1	-51.8	171.5	0	0	0	108.1	C634 G635 Q637	C634-I656 PolarHBondContact N-O 2.98Å; C634-I656 PolarHBondContact SG-O 3.21Å; G635-I656 PolarHBondContact O-N 2.87Å; Q637-I656 HydrophobicContact CB-CD1 3.96Å; Q637-I656 HydrophobicContact CB-CG1 4.07Å
657	Q	95.2	Very high	92.6	Very high	31 Å²	31	44.5 Å²	44.5	15%	0.145	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-95.3	158	173.5	-63.6	-168.3	86.1	0	0	111.5	I631 I632 N659 G660 D661	I631-Q657 HydrophobicContact CG2-CG 3.91Å; I632-Q657 WeakPolarHBondContact O-CA 3.33Å; I632-Q657 WeakPolarHBondContact O-CG 3.38Å; Q657-N659 WeakPolarHBondContact CB-OD1 3.4Å; Q657-N659 PolarHBondContact O-N 3.22Å; Q657-N659 VanDerWaalsContact O-N 3.13Å; Q657-G660 PolarHBondContact O-N 3.4Å; Q657-D661 HydrophobicContact CB-CB 4.43Å; Q657-D661 WeakPolarHBondContact CB-O 3.44Å; Q657-D661 PolarHBondContact N-O 3.39Å
658	P	92.6	Very high	93.5	Very high	88 Å²	88	36.7 Å²	36.7	57%	0.571	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.1	177.7	-27.4	34.9	0	0	0	114.9	P622 I632 G660	P622-P658 HydrophobicContact CB-CG 4.36Å; I632-P658 HydrophobicContact CB-CG 4.29Å; I632-P658 HydrophobicContact CG2-CG 3.92Å; I632-P658 VanDerWaalsContact O-CD 3.31Å; I632-P658 WeakPolarHBondContact O-CD 3.48Å; P658-G660 VanDerWaalsContact C-N 3.3Å
659	N	92	Very high	94.1	Very high	108 Å²	108	36.1 Å²	36.1	58%	0.578	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.7	177.7	67.9	-11.1	0	0	0	113.7	Q657 D661	Q657-N659 WeakPolarHBondContact CB-OD1 3.4Å; Q657-N659 PolarHBondContact O-N 3.22Å; Q657-N659 VanDerWaalsContact O-N 3.13Å; N659-D661 PolarHBondContact ND2-OD2 2.85Å; N659-D661 VanDerWaalsContact OD1-CB 3.32Å; N659-D661 WeakPolarHBondContact OD1-CB 3.4Å; N659-D661 PolarHBondContact OD1-N 2.99Å
660	G	91	Very high	94	Very high	52 Å²	52	36.1 Å²	36.1	54%	0.536	21%	0.211	S	C	.	.	S	Bend	trans	91.2	-7.6	-177.1	0	0	0	0	0	114.9	Q657 P658	Q657-G660 PolarHBondContact O-N 3.4Å; P658-G660 VanDerWaalsContact C-N 3.3Å
661	D	94.3	Very high	93.7	Very high	91 Å²	91	38.1 Å²	38.1	49%	0.487	22%	0.221	S	C	.	.			trans	-67.6	159.6	173.5	-68.1	-25.3	0	0	0	110.8	Q657 N659	Q657-D661 HydrophobicContact CB-CB 4.43Å; Q657-D661 WeakPolarHBondContact CB-O 3.44Å; Q657-D661 PolarHBondContact N-O 3.39Å; N659-D661 PolarHBondContact ND2-OD2 2.85Å; N659-D661 VanDerWaalsContact OD1-CB 3.32Å; N659-D661 WeakPolarHBondContact OD1-CB 3.4Å; N659-D661 PolarHBondContact OD1-N 2.99Å
662	T	95.2	Very high	93.5	Very high	77 Å²	77	40.4 Å²	40.4	47%	0.472	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.9	-178.6	61.9	0	0	0	0	112.1	T654 F655	T654-T662 HydrophobicContact CG2-CG2 3.81Å; F655-T662 CarbonylContact O-C 3.43Å; F655-T662 VanDerWaalsContact O-CA 3.27Å; F655-T662 WeakPolarHBondContact O-CA 3.34Å
663	Y	96.6	Very high	93.3	Very high	24 Å²	24	40 Å²	40	9%	0.094	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.7	174.3	-171.9	-90.4	0	0	0	109.7	L625 L627 I631 F655 A665 Q715	L625-Y663 HydrophobicContact CD2-CD1 3.62Å; L625-Y663 HydrophobicContact CD2-CE1 3.75Å; L627-Y663 HydrophobicContact CD2-CE1 4.04Å; I631-Y663 HydrophobicContact CD1-CD2 3.94Å; I631-Y663 HydrophobicContact CD1-CE2 4.47Å; I631-Y663 HydrophobicContact CG1-CD2 3.76Å; I631-Y663 HydrophobicContact CG1-CE2 4.08Å; I631-Y663 HydrophobicContact CG1-CG 4.14Å; I631-Y663 HydrophobicContact CG2-CG 4.12Å; F655-Y663 WeakPolarHBondContact CB-O 3.45Å; F655-Y663 HydrophobicContact CD2-CD1 4.26Å; F655-Y663 WeakPolarHBondContact CD2-O 3.38Å; F655-Y663 PolarHBondContact N-O 3.34Å; F655-Y663 PolarHBondContact O-N 3.47Å; Y663-A665 HydrophobicContact CE1-CB 4.49Å; Y663-Q715 WeakPolarHBondContact OH-CG 3.45Å
664	R	97.3	Very high	93.1	Very high	71 Å²	71	40.2 Å²	40.2	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.7	-175.8	-66.7	175.5	63.2	-179.4	-6.8	111	L652 L653 T654 F716 E718	L652-R664 HydrophobicContact CD1-CB 4.4Å; L653-R664 VanDerWaalsContact O-CA 3.32Å; L653-R664 WeakPolarHBondContact O-CA 3.41Å; T654-R664 HydrophobicContact CG2-CG 4.13Å; R664-F716 HydrophobicContact CB-CB 3.8Å; R664-F716 HydrophobicContact CB-CD1 4.16Å; R664-F716 HydrophobicContact CB-CG 4.33Å; R664-F716 PolarHBondContact O-N 3.29Å; R664-E718 VanDerWaalsContact CD-OE1 3.32Å; R664-E718 WeakPolarHBondContact CD-OE1 3.43Å; R664-E718 IonicContact CZ-OE1 3.32Å; R664-E718 IonicContact CZ-OE2 3.14Å; R664-E718 IonicContact NE-OE1 2.72Å; R664-E718 PolarHBondContact NE-OE1 3.5Å; R664-E718 IonicContact NH1-OE1 2.93Å; R664-E718 PolarHBondContact NH1-OE1 2.92Å; R664-E718 IonicContact NH1-OE2 3.36Å; R664-E718 PolarHBondContact NH1-OE2 3Å; R664-E718 IonicContact NH2-OE1 3.74Å
665	A	97.3	Very high	92.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.7	173.8	0	0	0	0	0	111.7	L627 L653 F655 Y663 V714	L627-A665 HydrophobicContact CD2-CB 3.88Å; L653-A665 PolarHBondContact N-O 3.21Å; L653-A665 PolarHBondContact O-N 3.29Å; F655-A665 HydrophobicContact CD2-CB 4.37Å; F655-A665 HydrophobicContact CE2-CB 3.71Å; Y663-A665 HydrophobicContact CE1-CB 4.49Å; A665-V714 CarbonylContact C-O 3.5Å; A665-V714 VanDerWaalsContact CA-O 3.28Å; A665-V714 WeakPolarHBondContact CA-O 3.32Å; A665-V714 WeakPolarHBondContact CB-O 3.05Å
666	I	96.5	Very high	92.7	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.2	174.1	-48.2	176.7	0	0	0	108.1	F644 P650 A651 L652 K668 L713 V714 F716	F644-I666 HydrophobicContact CD2-CG2 4.24Å; F644-I666 HydrophobicContact CE2-CB 4.47Å; F644-I666 HydrophobicContact CE2-CD1 3.84Å; F644-I666 HydrophobicContact CE2-CG1 3.87Å; F644-I666 HydrophobicContact CE2-CG2 3.89Å; F644-I666 HydrophobicContact CZ-CD1 3.9Å; F644-I666 HydrophobicContact CZ-CG1 4.24Å; P650-I666 HydrophobicContact CB-CG2 3.73Å; P650-I666 HydrophobicContact CG-CG2 4.36Å; A651-I666 CarbonylContact O-C 3.55Å; A651-I666 VanDerWaalsContact O-CA 3.31Å; A651-I666 WeakPolarHBondContact O-CA 3.4Å; L652-I666 HydrophobicContact CD1-CG1 4.35Å; I666-K668 HydrophobicContact CG2-CG 4.18Å; I666-L713 CarbonylContact O-C 3.52Å; I666-L713 WeakPolarHBondContact O-CA 3.26Å; I666-V714 HydrophobicContact CB-CB 4.24Å; I666-V714 PolarHBondContact N-O 2.63Å; I666-V714 PolarHBondContact O-N 3.46Å; I666-F716 HydrophobicContact CD1-CD2 3.96Å; I666-F716 HydrophobicContact CG1-CB 4.27Å; I666-F716 HydrophobicContact CG1-CD2 3.96Å
667	L	95.3	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.1	168.2	-176.9	71.9	0	0	0	109	L582 L586 P650 A651 L653 L711 L713	L582-L667 HydrophobicContact CB-CD2 3.95Å; L586-L667 HydrophobicContact CB-CD2 4.3Å; L586-L667 HydrophobicContact CD2-CD2 3.97Å; L586-L667 HydrophobicContact CD2-CG 4.18Å; P650-L667 CarbonylContact C-O 3.57Å; P650-L667 WeakPolarHBondContact CA-O 3.45Å; P650-L667 WeakPolarHBondContact CB-O 3.41Å; A651-L667 HydrophobicContact CB-CB 4.35Å; A651-L667 PolarHBondContact N-O 2.88Å; A651-L667 PolarHBondContact O-N 3.24Å; L653-L667 HydrophobicContact CD1-CB 4.21Å; L653-L667 HydrophobicContact CD1-CD2 4.42Å; L667-L711 HydrophobicContact CD1-CD1 3.92Å; L667-L711 HydrophobicContact CD1-CG 4.4Å; L667-L711 HydrophobicContact CG-CD1 4.34Å; L667-L713 HydrophobicContact CB-CD2 4.16Å; L667-L713 HydrophobicContact CD1-CD2 3.63Å; L667-L713 HydrophobicContact CD1-CG 4.32Å
668	K	93.1	Very high	92.6	Very high	36 Å²	36	37.8 Å²	37.8	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.8	175.3	-66.9	-172.1	157.6	-161	0	109.9	P650 I666 D671 L673 L711 G712 V714	P650-K668 HydrophobicContact CB-CB 4.47Å; P650-K668 HydrophobicContact CB-CG 3.79Å; I666-K668 HydrophobicContact CG2-CG 4.18Å; K668-D671 IonicContact NZ-OD2 2.64Å; K668-L673 HydrophobicContact CB-CD1 4.18Å; K668-L673 HydrophobicContact CD-CD1 4.2Å; K668-L673 HydrophobicContact CD-CD2 3.73Å; K668-L711 WeakPolarHBondContact O-CA 3.37Å; K668-L711 WeakPolarHBondContact O-CD1 3.45Å; K668-G712 PolarHBondContact N-O 3.28Å; K668-G712 PolarHBondContact O-N 3.07Å; K668-V714 HydrophobicContact CD-CG2 4.27Å
669	H	89.6	Confident	92.7	Very high	45 Å²	45	33.7 Å²	33.7	21%	0.208	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.2	173.9	173.5	-83.1	0	0	0	109.9	L586 K587 Q648 R710 L711	L586-H669 HydrophobicContact CD2-CB 3.76Å; K587-H669 WeakPolarHBondContact CE-NE2 3.44Å; Q648-H669 PolarHBondContact OE1-O 3.27Å; H669-R710 CarbonylContact C-O 3.56Å; H669-R710 VanDerWaalsContact CA-O 3.29Å; H669-R710 WeakPolarHBondContact CA-O 3.24Å; H669-L711 HydrophobicContact CB-CD1 3.84Å
670	G	84.2	Confident	92.9	Very high	38 Å²	38	28.9 Å²	28.9	39%	0.392	17%	0.167	S	C	.	.	S	Bend	trans	114.3	-29.7	-176.1	0	0	0	0	0	113	R710	G670-R710 PolarHBondContact N-O 3Å
671	D	84.5	Confident	93.1	Very high	50 Å²	50	27.2 Å²	27.2	27%	0.267	15%	0.146	S	C	.	.	S	Bend	trans	-89.8	143.9	176.6	-71.6	-31.4	0	0	0	112.4	Q648 K668 L673 R710	Q648-D671 VanDerWaalsContact CD-CG 3.44Å; Q648-D671 PolarHBondContact NE2-OD1 2.87Å; Q648-D671 PolarHBondContact OE1-OD1 3.44Å; Q648-D671 PolarHBondContact OE1-OD2 3.42Å; Q648-D671 VanDerWaalsContact OE1-OD2 3.06Å; K668-D671 IonicContact NZ-OD2 2.64Å; D671-L673 HydrophobicContact CB-CD2 4.09Å; D671-R710 CarbonylContact O-C 3.55Å; D671-R710 WeakPolarHBondContact O-CA 3.35Å
672	D	88.3	Confident	93.1	Very high	48 Å²	48	22.9 Å²	22.9	26%	0.257	12%	0.122	S	C	.	.			trans	-88.5	102.7	166	-174.9	-4.9	0	0	0	110.3	R674 N709	D672-R674 VanDerWaalsContact C-N 3.28Å; D672-R674 PolarHBondContact O-N 3.02Å; D672-R674 VanDerWaalsContact OD1-CB 3.31Å; D672-R674 WeakPolarHBondContact OD1-CB 3.31Å; D672-R674 WeakPolarHBondContact OD1-CG 3.4Å; D672-R674 IonicContact OD1-CZ 2.91Å; D672-R674 PolarHBondContact OD1-N 2.92Å; D672-R674 IonicContact OD1-NE 3.65Å; D672-R674 PolarHBondContact OD1-NE 3.28Å; D672-R674 IonicContact OD2-CZ 2.68Å; D672-R674 IonicContact OD2-NE 2.74Å; D672-R674 PolarHBondContact OD2-NE 3.32Å; D672-R674 IonicContact OD2-NH2 3.69Å; D672-R674 PolarHBondContact OD2-NH2 3.26Å; D672-N709 WeakPolarHBondContact CA-O 3.27Å; D672-N709 WeakPolarHBondContact CB-O 3.16Å
673	L	92.1	Very high	93.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.1	-177.1	-62.2	-172.8	0	0	0	114.7	K668 D671 Q675 D676 Q677 V704 A706 V714	K668-L673 HydrophobicContact CB-CD1 4.18Å; K668-L673 HydrophobicContact CD-CD1 4.2Å; K668-L673 HydrophobicContact CD-CD2 3.73Å; D671-L673 HydrophobicContact CB-CD2 4.09Å; L673-Q675 PolarHBondContact O-N 3.43Å; L673-D676 PolarHBondContact O-N 2.69Å; L673-Q677 VanDerWaalsContact O-CB 3.28Å; L673-Q677 WeakPolarHBondContact O-CB 3.29Å; L673-Q677 PolarHBondContact O-N 3.46Å; L673-V704 HydrophobicContact CB-CG1 4.11Å; L673-V704 HydrophobicContact CD1-CG1 4.28Å; L673-A706 HydrophobicContact CB-CB 4.18Å; L673-V714 HydrophobicContact CD1-CG2 3.77Å
674	R	91.7	Very high	93.3	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-33.1	179.7	-68.7	178.5	-62.2	158.2	0.9	112.3	L521 V538 D672 L678 A706 T857 I859	L521-R674 HydrophobicContact CD1-CG 3.84Å; L521-R674 VanDerWaalsContact CD2-CD 3.48Å; L521-R674 HydrophobicContact CD2-CG 4.22Å; V538-R674 VanDerWaalsContact CG1-NH1 3.31Å; D672-R674 VanDerWaalsContact C-N 3.28Å; D672-R674 PolarHBondContact O-N 3.02Å; D672-R674 VanDerWaalsContact OD1-CB 3.31Å; D672-R674 WeakPolarHBondContact OD1-CB 3.31Å; D672-R674 WeakPolarHBondContact OD1-CG 3.4Å; D672-R674 IonicContact OD1-CZ 2.91Å; D672-R674 PolarHBondContact OD1-N 2.92Å; D672-R674 IonicContact OD1-NE 3.65Å; D672-R674 PolarHBondContact OD1-NE 3.28Å; D672-R674 IonicContact OD2-CZ 2.68Å; D672-R674 IonicContact OD2-NE 2.74Å; D672-R674 PolarHBondContact OD2-NE 3.32Å; D672-R674 IonicContact OD2-NH2 3.69Å; D672-R674 PolarHBondContact OD2-NH2 3.26Å; R674-L678 WeakPolarHBondContact O-CB 3.2Å; R674-L678 PolarHBondContact O-N 3.2Å; R674-A706 HydrophobicContact CG-CB 3.85Å; R674-T857 PolarHBondContact NH1-O 3.24Å; R674-I859 HydrophobicContact CB-CD1 3.87Å; R674-I859 HydrophobicContact CB-CG1 4.01Å
675	Q	91.4	Very high	93.2	Very high	13 Å²	13	18.5 Å²	18.5	6%	0.061	10%	0.1	C	C	.	.	H	α-helix	trans	-70	-51	177.3	-169.8	170.2	-57.7	0	0	111.9	L673 Q677 L678 V679 F793 S794 I796 I859 S861	L673-Q675 PolarHBondContact O-N 3.43Å; Q675-Q677 VanDerWaalsContact C-N 3.28Å; Q675-Q677 PolarHBondContact O-N 2.85Å; Q675-L678 WeakPolarHBondContact O-CB 3.13Å; Q675-L678 PolarHBondContact O-N 2.79Å; Q675-L678 VanDerWaalsContact O-N 3.15Å; Q675-V679 WeakPolarHBondContact O-CG2 3.46Å; Q675-V679 PolarHBondContact O-N 3.47Å; Q675-F793 PolarHBondContact NE2-O 3.34Å; Q675-S794 PolarHBondContact NE2-O 3.17Å; Q675-I796 HydrophobicContact CG-CD1 3.9Å; Q675-I796 HydrophobicContact CG-CG1 4.3Å; Q675-I859 HydrophobicContact CB-CG2 3.96Å; Q675-I859 HydrophobicContact CG-CG2 4.28Å; Q675-S861 PolarHBondContact NE2-OG 2.85Å; Q675-S861 PolarHBondContact OE1-OG 2.96Å
676	D	93.7	Very high	93.2	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.059	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-41.8	174.3	-67.6	-110.2	0	0	0	111.9	L673 V679 L680 V704 F793	L673-D676 PolarHBondContact O-N 2.69Å; D676-V679 PolarHBondContact O-N 3.22Å; D676-L680 WeakPolarHBondContact O-CB 3.14Å; D676-L680 PolarHBondContact O-N 3.35Å; D676-V704 HydrophobicContact CB-CG1 4.35Å; D676-F793 PolarHBondContact OD1-N 3Å
677	Q	94.4	Very high	93.3	Very high	10 Å²	10	18 Å²	18	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-46.9	175.3	-175	-179.5	-72.3	0	0	111.4	L673 Q675 Q681 V704	L673-Q677 VanDerWaalsContact O-CB 3.28Å; L673-Q677 WeakPolarHBondContact O-CB 3.29Å; L673-Q677 PolarHBondContact O-N 3.46Å; Q675-Q677 VanDerWaalsContact C-N 3.28Å; Q675-Q677 PolarHBondContact O-N 2.85Å; Q677-Q681 VanDerWaalsContact O-CB 3.29Å; Q677-Q681 WeakPolarHBondContact O-CB 3.5Å; Q677-Q681 PolarHBondContact O-N 3.46Å; Q677-V704 HydrophobicContact CB-CB 4.49Å; Q677-V704 HydrophobicContact CB-CG1 4.05Å
678	L	93.1	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-46.9	177.2	177.5	65.5	0	0	0	111.2	R674 Q675 L680 Q681 M682 F851 M854 F862	R674-L678 WeakPolarHBondContact O-CB 3.2Å; R674-L678 PolarHBondContact O-N 3.2Å; Q675-L678 WeakPolarHBondContact O-CB 3.13Å; Q675-L678 PolarHBondContact O-N 2.79Å; Q675-L678 VanDerWaalsContact O-N 3.15Å; L678-L680 PolarHBondContact O-N 3.23Å; L678-Q681 WeakPolarHBondContact O-CB 3.47Å; L678-Q681 PolarHBondContact O-N 2.83Å; L678-M682 HydrophobicContact CD1-CE 3.91Å; L678-M682 VanDerWaalsContact O-CG 3.31Å; L678-M682 WeakPolarHBondContact O-CG 3.44Å; L678-M682 PolarHBondContact O-N 3.14Å; L678-F851 HydrophobicContact CD2-CE1 4.43Å; L678-M854 HydrophobicContact CD1-CE 4.3Å; L678-M854 HydrophobicContact CD1-CG 3.77Å; L678-M854 HydrophobicContact CD1-SD 4.23Å; L678-M854 HydrophobicContact CD2-CB 4.33Å; L678-M854 HydrophobicContact CD2-CE 4.29Å; L678-M854 HydrophobicContact CD2-CG 4.01Å; L678-F862 HydrophobicContact CD2-CE2 3.58Å; L678-F862 HydrophobicContact CD2-CZ 3.6Å
679	V	94.5	Very high	93.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-44.5	-177.9	174.5	0	0	0	0	111.3	Q675 D676 Q681 M682 I683 L770 F793 I796	Q675-V679 WeakPolarHBondContact O-CG2 3.46Å; Q675-V679 PolarHBondContact O-N 3.47Å; D676-V679 PolarHBondContact O-N 3.22Å; V679-Q681 VanDerWaalsContact C-N 3.34Å; V679-Q681 PolarHBondContact O-N 3.01Å; V679-M682 WeakPolarHBondContact O-CB 3.46Å; V679-M682 PolarHBondContact O-N 3.05Å; V679-M682 VanDerWaalsContact O-N 3.12Å; V679-I683 HydrophobicContact CG1-CD1 4Å; V679-I683 WeakPolarHBondContact O-CG1 3.37Å; V679-I683 PolarHBondContact O-N 3.49Å; V679-L770 HydrophobicContact CG1-CD1 4.04Å; V679-F793 HydrophobicContact CB-CB 3.98Å; V679-F793 HydrophobicContact CB-CD1 4.4Å; V679-F793 HydrophobicContact CB-CD2 4.26Å; V679-F793 HydrophobicContact CB-CG 3.97Å; V679-F793 HydrophobicContact CG1-CB 3.99Å; V679-F793 HydrophobicContact CG1-CD1 3.48Å; V679-F793 VanDerWaalsContact CG1-CD1 3.48Å; V679-F793 HydrophobicContact CG1-CD2 3.91Å; V679-F793 HydrophobicContact CG1-CE1 3.86Å; V679-F793 HydrophobicContact CG1-CE2 4.24Å; V679-F793 HydrophobicContact CG1-CG 3.52Å; V679-F793 HydrophobicContact CG1-CZ 4.22Å; V679-F793 HydrophobicContact CG2-CB 3.94Å; V679-F793 HydrophobicContact CG2-CG 4.4Å; V679-I796 HydrophobicContact CG2-CD1 4.25Å; V679-I796 HydrophobicContact CG2-CG2 3.68Å
680	L	96.7	Very high	93.8	Very high	7 Å²	7	16.5 Å²	16.5	4%	0.037	9%	0.094	C	C	.	.	H	α-helix	trans	-68.6	-34.1	178.7	-74.5	161.1	0	0	0	112.6	D676 L678 M682 I683 E684 Y702 V704 F793	D676-L680 WeakPolarHBondContact O-CB 3.14Å; D676-L680 PolarHBondContact O-N 3.35Å; L678-L680 PolarHBondContact O-N 3.23Å; L680-M682 VanDerWaalsContact C-N 3.3Å; L680-M682 PolarHBondContact O-N 3.46Å; L680-I683 HydrophobicContact CD2-CD1 4.17Å; L680-I683 PolarHBondContact O-N 3.48Å; L680-E684 WeakPolarHBondContact O-CB 3.07Å; L680-E684 PolarHBondContact O-N 3.25Å; L680-Y702 HydrophobicContact CD1-CD2 3.74Å; L680-Y702 HydrophobicContact CD1-CE1 4.22Å; L680-Y702 HydrophobicContact CD1-CE2 3.24Å; L680-Y702 HydrophobicContact CD1-CG 4.4Å; L680-Y702 WeakPolarHBondContact CD1-O 3.36Å; L680-Y702 HydrophobicContact CD2-CD1 3.95Å; L680-Y702 HydrophobicContact CD2-CD2 4.44Å; L680-Y702 HydrophobicContact CD2-CE1 3.7Å; L680-Y702 HydrophobicContact CD2-CE2 4.23Å; L680-Y702 HydrophobicContact CD2-CG 4.31Å; L680-Y702 HydrophobicContact CG-CE2 4.35Å; L680-V704 HydrophobicContact CD1-CB 3.96Å; L680-V704 HydrophobicContact CD1-CG2 3.22Å; L680-F793 HydrophobicContact CD1-CE2 4.42Å; L680-F793 HydrophobicContact CD2-CE2 3.92Å; L680-F793 HydrophobicContact CG-CD2 4.37Å; L680-F793 HydrophobicContact CG-CE2 3.98Å
681	Q	94.9	Very high	94.4	Very high	18 Å²	18	19.7 Å²	19.7	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-39.9	169.7	-172.5	-169.4	24.1	0	0	111.3	L404 Q677 L678 V679 E684 L685	L404-Q681 WeakPolarHBondContact O-CG 3.24Å; L404-Q681 PolarHBondContact O-NE2 2.87Å; Q677-Q681 VanDerWaalsContact O-CB 3.29Å; Q677-Q681 WeakPolarHBondContact O-CB 3.5Å; Q677-Q681 PolarHBondContact O-N 3.46Å; L678-Q681 WeakPolarHBondContact O-CB 3.47Å; L678-Q681 PolarHBondContact O-N 2.83Å; V679-Q681 VanDerWaalsContact C-N 3.34Å; V679-Q681 PolarHBondContact O-N 3.01Å; Q681-E684 PolarHBondContact O-N 2.95Å; Q681-L685 WeakPolarHBondContact O-CB 3.18Å; Q681-L685 PolarHBondContact O-N 3.13Å
682	M	95.6	Very high	94.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-39.1	174.4	-63.2	-58.7	107.2	0	0	112	L678 V679 L680 L685 M686 L770 F847 L850 F851	L678-M682 HydrophobicContact CD1-CE 3.91Å; L678-M682 VanDerWaalsContact O-CG 3.31Å; L678-M682 WeakPolarHBondContact O-CG 3.44Å; L678-M682 PolarHBondContact O-N 3.14Å; V679-M682 WeakPolarHBondContact O-CB 3.46Å; V679-M682 PolarHBondContact O-N 3.05Å; V679-M682 VanDerWaalsContact O-N 3.12Å; L680-M682 VanDerWaalsContact C-N 3.3Å; L680-M682 PolarHBondContact O-N 3.46Å; M682-L685 PolarHBondContact O-N 3.3Å; M682-M686 WeakPolarHBondContact O-CB 3.27Å; M682-M686 VanDerWaalsContact O-CG 3.24Å; M682-M686 WeakPolarHBondContact O-CG 3.46Å; M682-M686 PolarHBondContact O-N 2.81Å; M682-L770 HydrophobicContact CB-CD1 4.23Å; M682-F847 HydrophobicContact SD-CD1 4.14Å; M682-L850 HydrophobicContact CE-CB 4.23Å; M682-L850 HydrophobicContact CE-CD1 4Å; M682-L850 HydrophobicContact SD-CB 4.3Å; M682-L850 HydrophobicContact SD-CD1 4.13Å; M682-F851 HydrophobicContact CG-CE2 3.57Å; M682-F851 HydrophobicContact CG-CZ 3.98Å; M682-F851 HydrophobicContact SD-CD2 4.11Å; M682-F851 HydrophobicContact SD-CE2 3.62Å
683	I	97.4	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.5	-43	176.3	-66.6	170.6	0	0	0	110.7	V679 L680 M686 D687 P701 Y763 I766 F793	V679-I683 HydrophobicContact CG1-CD1 4Å; V679-I683 WeakPolarHBondContact O-CG1 3.37Å; V679-I683 PolarHBondContact O-N 3.49Å; L680-I683 HydrophobicContact CD2-CD1 4.17Å; L680-I683 PolarHBondContact O-N 3.48Å; I683-M686 PolarHBondContact O-N 2.87Å; I683-D687 PolarHBondContact O-N 3.29Å; I683-P701 HydrophobicContact CG2-CB 4.12Å; I683-Y763 HydrophobicContact CD1-CE1 4.22Å; I683-I766 HydrophobicContact CD1-CG2 3.98Å; I683-I766 HydrophobicContact CG1-CD1 4.43Å; I683-I766 HydrophobicContact CG1-CG2 3.65Å; I683-I766 HydrophobicContact CG2-CD1 4.1Å; I683-F793 HydrophobicContact CD1-CE1 4.26Å; I683-F793 HydrophobicContact CD1-CE2 4.41Å; I683-F793 HydrophobicContact CD1-CZ 3.82Å
684	E	97.1	Very high	95.3	Very high	79 Å²	79	32.7 Å²	32.7	37%	0.369	16%	0.156	S	C	.	.	H	α-helix	trans	-61.1	-44.7	175.2	-170.4	175.2	-164.4	0	0	111	L404 L680 Q681 M686 D687 V688 P701	L404-E684 HydrophobicContact CD2-CB 4.39Å; L404-E684 HydrophobicContact CD2-CG 3.8Å; L680-E684 WeakPolarHBondContact O-CB 3.07Å; L680-E684 PolarHBondContact O-N 3.25Å; Q681-E684 PolarHBondContact O-N 2.95Å; E684-M686 PolarHBondContact O-N 2.85Å; E684-D687 PolarHBondContact O-N 3.34Å; E684-V688 WeakPolarHBondContact O-CG2 3.46Å; E684-V688 PolarHBondContact O-N 3.36Å; E684-P701 HydrophobicContact CB-CB 3.93Å; E684-P701 HydrophobicContact CB-CG 4.41Å; E684-P701 HydrophobicContact CG-CB 4.45Å; E684-P701 HydrophobicContact CG-CG 4.48Å
685	L	96.2	Very high	95.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-44.1	174.6	177.6	61.6	0	0	0	112.4	L404 Y405 Q681 M682 D687 V688 I689 L846 F847 L850	L404-L685 HydrophobicContact CD1-CD1 4.17Å; Y405-L685 HydrophobicContact CE1-CD1 3.7Å; Y405-L685 HydrophobicContact CE1-CD2 3.87Å; Y405-L685 HydrophobicContact CE1-CG 4.43Å; Q681-L685 WeakPolarHBondContact O-CB 3.18Å; Q681-L685 PolarHBondContact O-N 3.13Å; M682-L685 PolarHBondContact O-N 3.3Å; L685-D687 VanDerWaalsContact C-N 3.33Å; L685-D687 PolarHBondContact O-N 2.92Å; L685-V688 PolarHBondContact O-N 3.3Å; L685-I689 HydrophobicContact CD1-CD1 4.04Å; L685-I689 HydrophobicContact CD1-CG1 4.28Å; L685-I689 HydrophobicContact CG-CD1 3.92Å; L685-I689 VanDerWaalsContact O-CG1 3.32Å; L685-I689 WeakPolarHBondContact O-CG1 3.39Å; L685-I689 PolarHBondContact O-N 3.39Å; L685-L846 HydrophobicContact CD1-CD2 4.21Å; L685-L846 HydrophobicContact CD2-CD2 4.02Å; L685-L846 HydrophobicContact CD2-CG 4.19Å; L685-L846 HydrophobicContact CG-CD2 4.48Å; L685-F847 HydrophobicContact CD2-CD1 4.29Å; L685-F847 HydrophobicContact CD2-CE1 3.84Å; L685-F847 HydrophobicContact CD2-CZ 4.49Å; L685-F847 HydrophobicContact CG-CE1 4.14Å; L685-F847 HydrophobicContact CG-CZ 4.49Å; L685-L850 HydrophobicContact CD2-CD1 3.28Å
686	M	97.6	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-44.9	175.2	-73.2	175.6	-180	0	0	111	M682 I683 E684 V688 I689 L690 I766 L769 L770 L840 F847 F877	M682-M686 WeakPolarHBondContact O-CB 3.27Å; M682-M686 VanDerWaalsContact O-CG 3.24Å; M682-M686 WeakPolarHBondContact O-CG 3.46Å; M682-M686 PolarHBondContact O-N 2.81Å; I683-M686 PolarHBondContact O-N 2.87Å; E684-M686 PolarHBondContact O-N 2.85Å; M686-V688 PolarHBondContact O-N 2.69Å; M686-I689 PolarHBondContact O-N 3Å; M686-L690 WeakPolarHBondContact O-CB 3.3Å; M686-L690 VanDerWaalsContact O-CD1 3.29Å; M686-L690 WeakPolarHBondContact O-CD1 3.45Å; M686-L690 WeakPolarHBondContact O-CG 3.11Å; M686-L690 PolarHBondContact O-N 2.92Å; M686-I766 HydrophobicContact SD-CB 4.41Å; M686-I766 HydrophobicContact SD-CG1 3.72Å; M686-I766 HydrophobicContact SD-CG2 4.4Å; M686-L769 HydrophobicContact CE-CB 4.49Å; M686-L769 HydrophobicContact CE-CD1 4.33Å; M686-L770 HydrophobicContact CE-CD1 4.48Å; M686-L770 HydrophobicContact CE-CD2 3.93Å; M686-L770 HydrophobicContact CE-CG 4.16Å; M686-L840 HydrophobicContact CB-CD1 4.35Å; M686-L840 HydrophobicContact CB-CD2 3.84Å; M686-L840 HydrophobicContact CG-CD1 4.12Å; M686-L840 HydrophobicContact CG-CD2 3.78Å; M686-L840 HydrophobicContact SD-CD1 4.06Å; M686-F847 HydrophobicContact CB-CZ 4.46Å; M686-F847 HydrophobicContact CE-CD1 3.99Å; M686-F847 HydrophobicContact CE-CE1 3.67Å; M686-F847 HydrophobicContact CE-CE2 4.47Å; M686-F847 HydrophobicContact CE-CZ 3.94Å; M686-F847 HydrophobicContact CG-CE1 3.53Å; M686-F847 HydrophobicContact CG-CE2 4.45Å; M686-F847 HydrophobicContact CG-CZ 3.39Å; M686-F847 HydrophobicContact SD-CE1 4.45Å; M686-F877 HydrophobicContact CE-CZ 4.31Å
687	D	97.6	Very high	96	Very high	14 Å²	14	35.4 Å²	35.4	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-44.1	176.8	-167.4	56	0	0	0	111.5	I683 E684 L685 L690 R691 L699	I683-D687 PolarHBondContact O-N 3.29Å; E684-D687 PolarHBondContact O-N 3.34Å; L685-D687 VanDerWaalsContact C-N 3.33Å; L685-D687 PolarHBondContact O-N 2.92Å; D687-L690 PolarHBondContact O-N 3.29Å; D687-R691 WeakPolarHBondContact O-CB 3.37Å; D687-R691 VanDerWaalsContact O-CG 3.27Å; D687-R691 WeakPolarHBondContact O-CG 2.92Å; D687-R691 PolarHBondContact O-N 3.19Å; D687-R691 IonicContact OD1-CZ 3.03Å; D687-R691 IonicContact OD1-NE 3.17Å; D687-R691 IonicContact OD1-NH2 3.94Å; D687-R691 PolarHBondContact OD1-NH2 3.34Å; D687-R691 IonicContact OD2-CZ 3.52Å; D687-R691 IonicContact OD2-NE 2.69Å; D687-R691 PolarHBondContact OD2-NE 2.98Å; D687-R691 IonicContact OD2-NH2 3.64Å; D687-R691 PolarHBondContact OD2-NH2 3.23Å; D687-L699 HydrophobicContact CB-CB 4.42Å; D687-L699 HydrophobicContact CB-CD1 3.87Å
688	V	95.8	Very high	96.2	Very high	42 Å²	42	38.4 Å²	38.4	26%	0.255	18%	0.18	S	C	.	.	H	α-helix	trans	-62.2	-45.1	177	170.2	0	0	0	0	111.8	L404 E684 L685 M686 R691 K692	L404-V688 HydrophobicContact CD1-CB 4.31Å; L404-V688 HydrophobicContact CD1-CG1 4.13Å; L404-V688 HydrophobicContact CD1-CG2 4.12Å; E684-V688 WeakPolarHBondContact O-CG2 3.46Å; E684-V688 PolarHBondContact O-N 3.36Å; L685-V688 PolarHBondContact O-N 3.3Å; M686-V688 PolarHBondContact O-N 2.69Å; V688-R691 PolarHBondContact O-N 2.84Å; V688-K692 HydrophobicContact CG1-CD 4.44Å; V688-K692 WeakPolarHBondContact O-CG 3.39Å; V688-K692 PolarHBondContact O-N 3.2Å
689	I	95.6	Very high	96.4	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-48.1	177.4	-70.7	164.9	0	0	0	110.3	L685 M686 R691 K692 E693 I839 L840 H843 L846 F847	L685-I689 HydrophobicContact CD1-CD1 4.04Å; L685-I689 HydrophobicContact CD1-CG1 4.28Å; L685-I689 HydrophobicContact CG-CD1 3.92Å; L685-I689 VanDerWaalsContact O-CG1 3.32Å; L685-I689 WeakPolarHBondContact O-CG1 3.39Å; L685-I689 PolarHBondContact O-N 3.39Å; M686-I689 PolarHBondContact O-N 3Å; I689-R691 PolarHBondContact O-N 3.34Å; I689-K692 WeakPolarHBondContact O-CB 3.39Å; I689-K692 PolarHBondContact O-N 3.35Å; I689-E693 PolarHBondContact O-N 2.95Å; I689-I839 HydrophobicContact CG2-CG2 4.24Å; I689-L840 HydrophobicContact CG2-CD2 4.41Å; I689-H843 HydrophobicContact CD1-CB 4.1Å; I689-H843 VanDerWaalsContact CG2-CD2 3.48Å; I689-H843 WeakPolarHBondContact CG2-CD2 3.37Å; I689-L846 HydrophobicContact CD1-CD2 4.12Å; I689-F847 HydrophobicContact CD1-CE2 4.13Å; I689-F847 HydrophobicContact CD1-CZ 3.73Å
690	L	97.3	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-41.7	-179.8	-69.8	162.3	0	0	0	111.4	M686 D687 K692 E693 N694 F695 L697 L699 A836 I839 L840	M686-L690 WeakPolarHBondContact O-CB 3.3Å; M686-L690 VanDerWaalsContact O-CD1 3.29Å; M686-L690 WeakPolarHBondContact O-CD1 3.45Å; M686-L690 WeakPolarHBondContact O-CG 3.11Å; M686-L690 PolarHBondContact O-N 2.92Å; D687-L690 PolarHBondContact O-N 3.29Å; L690-K692 PolarHBondContact O-N 3.38Å; L690-E693 CarbonylContact O-C 3.53Å; L690-E693 PolarHBondContact O-N 2.91Å; L690-N694 PolarHBondContact O-N 3.45Å; L690-F695 CarbonylContact C-O 3.49Å; L690-F695 VanDerWaalsContact C-O 3.27Å; L690-F695 VanDerWaalsContact CB-O 3.28Å; L690-F695 WeakPolarHBondContact CB-O 3.09Å; L690-F695 HydrophobicContact CD2-CD1 3.91Å; L690-F695 CarbonylContact O-C 3.55Å; L690-F695 WeakPolarHBondContact O-CA 3.49Å; L690-F695 WeakPolarHBondContact O-CB 3.34Å; L690-F695 PolarHBondContact O-N 3.44Å; L690-L697 HydrophobicContact CD1-CD1 3.36Å; L690-L697 HydrophobicContact CD1-CG 4.05Å; L690-L697 HydrophobicContact CD2-CD1 4.39Å; L690-L697 HydrophobicContact CG-CD1 4.47Å; L690-L699 HydrophobicContact CD1-CD1 4.47Å; L690-A836 HydrophobicContact CD2-CB 4.42Å; L690-I839 HydrophobicContact CD2-CB 3.96Å; L690-I839 HydrophobicContact CD2-CD1 4.18Å; L690-I839 HydrophobicContact CD2-CG2 3.81Å; L690-L840 HydrophobicContact CD1-CD1 4.41Å; L690-L840 HydrophobicContact CD1-CD2 4.18Å; L690-L840 HydrophobicContact CD1-CG 4.4Å; L690-L840 HydrophobicContact CD2-CD2 4.28Å; L690-L840 HydrophobicContact CD2-CG 4.2Å; L690-L840 HydrophobicContact CG-CD2 3.95Å; L690-L840 HydrophobicContact CG-CG 4.34Å
691	R	96.5	Very high	96.5	Very high	106 Å²	106	41.3 Å²	41.3	40%	0.4	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-35.6	175	-73	179.6	-168.9	-69.2	-19.9	113.1	D687 V688 I689 E693 N694 D696	D687-R691 WeakPolarHBondContact O-CB 3.37Å; D687-R691 VanDerWaalsContact O-CG 3.27Å; D687-R691 WeakPolarHBondContact O-CG 2.92Å; D687-R691 PolarHBondContact O-N 3.19Å; D687-R691 IonicContact OD1-CZ 3.03Å; D687-R691 IonicContact OD1-NE 3.17Å; D687-R691 IonicContact OD1-NH2 3.94Å; D687-R691 PolarHBondContact OD1-NH2 3.34Å; D687-R691 IonicContact OD2-CZ 3.52Å; D687-R691 IonicContact OD2-NE 2.69Å; D687-R691 PolarHBondContact OD2-NE 2.98Å; D687-R691 IonicContact OD2-NH2 3.64Å; D687-R691 PolarHBondContact OD2-NH2 3.23Å; V688-R691 PolarHBondContact O-N 2.84Å; I689-R691 PolarHBondContact O-N 3.34Å; R691-E693 PolarHBondContact O-N 2.69Å; R691-N694 WeakPolarHBondContact O-CA 3.43Å; R691-N694 PolarHBondContact O-N 2.97Å; R691-D696 IonicContact CZ-OD1 2.86Å; R691-D696 IonicContact CZ-OD2 3.41Å; R691-D696 IonicContact NH1-OD1 3.98Å; R691-D696 PolarHBondContact NH1-OD1 2.89Å; R691-D696 VanDerWaalsContact NH1-OD1 3.15Å; R691-D696 IonicContact NH1-OD2 3.22Å; R691-D696 PolarHBondContact NH1-OD2 3.4Å; R691-D696 IonicContact NH2-OD1 3.01Å; R691-D696 PolarHBondContact NH2-OD1 2.88Å; R691-D696 IonicContact NH2-OD2 2.84Å
692	K	93.5	Very high	96.6	Very high	111 Å²	111	41 Å²	41	48%	0.483	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-32.8	173.8	-78.7	-179.3	175.6	-174.7	0	111.6	E401 V688 I689 L690 N694	E401-K692 IonicContact OE1-NZ 2.76Å; E401-K692 PolarHBondContact OE1-NZ 3.38Å; V688-K692 HydrophobicContact CG1-CD 4.44Å; V688-K692 WeakPolarHBondContact O-CG 3.39Å; V688-K692 PolarHBondContact O-N 3.2Å; I689-K692 WeakPolarHBondContact O-CB 3.39Å; I689-K692 PolarHBondContact O-N 3.35Å; L690-K692 PolarHBondContact O-N 3.38Å; K692-N694 PolarHBondContact O-N 3.05Å
693	E	94.5	Very high	96.7	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.491	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	14.9	172.9	-67	-68.5	153.3	0	0	113.4	I689 L690 R691 F695 I839	I689-E693 PolarHBondContact O-N 2.95Å; L690-E693 CarbonylContact O-C 3.53Å; L690-E693 PolarHBondContact O-N 2.91Å; R691-E693 PolarHBondContact O-N 2.69Å; E693-F695 PolarHBondContact O-N 3.4Å; E693-I839 HydrophobicContact CB-CD1 4.27Å; E693-I839 HydrophobicContact CB-CG2 4.38Å; E693-I839 HydrophobicContact CG-CG2 3.96Å
694	N	96	Very high	96.7	Very high	157 Å²	157	44.3 Å²	44.3	84%	0.84	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	29.8	-175	-58.3	-66	0	0	0	114.1	L690 R691 K692	L690-N694 PolarHBondContact O-N 3.45Å; R691-N694 WeakPolarHBondContact O-CA 3.43Å; R691-N694 PolarHBondContact O-N 2.97Å; K692-N694 PolarHBondContact O-N 3.05Å
695	F	97	Very high	96.6	Very high	36 Å²	36	40.7 Å²	40.7	16%	0.158	20%	0.195	C	C	.	.			trans	-116.8	87	-176.6	-163	-101.1	0	0	0	111.1	L690 E693 L697 I832 T835 A836 I839	L690-F695 CarbonylContact C-O 3.49Å; L690-F695 VanDerWaalsContact C-O 3.27Å; L690-F695 VanDerWaalsContact CB-O 3.28Å; L690-F695 WeakPolarHBondContact CB-O 3.09Å; L690-F695 HydrophobicContact CD2-CD1 3.91Å; L690-F695 CarbonylContact O-C 3.55Å; L690-F695 WeakPolarHBondContact O-CA 3.49Å; L690-F695 WeakPolarHBondContact O-CB 3.34Å; L690-F695 PolarHBondContact O-N 3.44Å; E693-F695 PolarHBondContact O-N 3.4Å; F695-L697 HydrophobicContact CD1-CD2 4.08Å; F695-L697 HydrophobicContact CD1-CG 4.03Å; F695-L697 HydrophobicContact CE1-CD1 4.4Å; F695-L697 HydrophobicContact CE1-CD2 3.43Å; F695-L697 VanDerWaalsContact CE1-CD2 3.43Å; F695-L697 HydrophobicContact CE1-CG 3.86Å; F695-L697 HydrophobicContact CZ-CD2 4.18Å; F695-L697 PolarHBondContact O-N 2.85Å; F695-I832 HydrophobicContact CE1-CG2 4.25Å; F695-I832 HydrophobicContact CZ-CB 4.38Å; F695-I832 HydrophobicContact CZ-CG2 3.91Å; F695-T835 HydrophobicContact CD2-CG2 4.03Å; F695-T835 HydrophobicContact CE1-CG2 4.35Å; F695-T835 HydrophobicContact CE2-CG2 3.63Å; F695-T835 HydrophobicContact CZ-CG2 3.8Å; F695-A836 HydrophobicContact CE1-CB 3.96Å; F695-I839 HydrophobicContact CB-CD1 3.96Å; F695-I839 HydrophobicContact CD1-CD1 4.15Å; F695-I839 HydrophobicContact CG-CD1 3.99Å
696	D	97.5	Very high	96.6	Very high	48 Å²	48	40.6 Å²	40.6	26%	0.257	20%	0.195	S	C	.	.			trans	-83.9	111.9	-179.2	-177.5	6.3	0	0	0	111.6	R691 R698 R758	R691-D696 IonicContact CZ-OD1 2.86Å; R691-D696 IonicContact CZ-OD2 3.41Å; R691-D696 IonicContact NH1-OD1 3.98Å; R691-D696 PolarHBondContact NH1-OD1 2.89Å; R691-D696 VanDerWaalsContact NH1-OD1 3.15Å; R691-D696 IonicContact NH1-OD2 3.22Å; R691-D696 PolarHBondContact NH1-OD2 3.4Å; R691-D696 IonicContact NH2-OD1 3.01Å; R691-D696 PolarHBondContact NH2-OD1 2.88Å; R691-D696 IonicContact NH2-OD2 2.84Å; D696-R698 VanDerWaalsContact C-N 3.31Å; D696-R698 WeakPolarHBondContact OD1-CA 3.47Å; D696-R698 PolarHBondContact OD1-N 3.39Å; D696-R698 VanDerWaalsContact OD2-CD 3.3Å; D696-R698 WeakPolarHBondContact OD2-CD 3.28Å; D696-R698 IonicContact OD2-NE 2.73Å; D696-R698 PolarHBondContact OD2-NE 3.08Å; D696-R758 WeakPolarHBondContact O-CD 3.35Å
697	L	97.6	Very high	96.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.198	C	C	.	.			trans	-85.3	0	175.9	-75.5	-177.4	0	0	0	114.1	L690 F695 L699 R758 S759 I832 A836	L690-L697 HydrophobicContact CD1-CD1 3.36Å; L690-L697 HydrophobicContact CD1-CG 4.05Å; L690-L697 HydrophobicContact CD2-CD1 4.39Å; L690-L697 HydrophobicContact CG-CD1 4.47Å; F695-L697 HydrophobicContact CD1-CD2 4.08Å; F695-L697 HydrophobicContact CD1-CG 4.03Å; F695-L697 HydrophobicContact CE1-CD1 4.4Å; F695-L697 HydrophobicContact CE1-CD2 3.43Å; F695-L697 VanDerWaalsContact CE1-CD2 3.43Å; F695-L697 HydrophobicContact CE1-CG 3.86Å; F695-L697 HydrophobicContact CZ-CD2 4.18Å; F695-L697 PolarHBondContact O-N 2.85Å; L697-L699 VanDerWaalsContact C-N 3.26Å; L697-L699 HydrophobicContact CB-CD1 4.3Å; L697-L699 HydrophobicContact CB-CD2 4.19Å; L697-L699 HydrophobicContact CB-CG 3.86Å; L697-L699 PolarHBondContact O-N 3.31Å; L697-R758 CarbonylContact O-C 3.19Å; L697-R758 WeakPolarHBondContact O-CB 3.14Å; L697-S759 VanDerWaalsContact O-CA 3.28Å; L697-S759 WeakPolarHBondContact O-CA 3.34Å; L697-S759 PolarHBondContact O-N 3.05Å; L697-I832 HydrophobicContact CD2-CG2 3.33Å; L697-A836 HydrophobicContact CD1-CB 3.62Å; L697-A836 HydrophobicContact CD2-CB 4.37Å; L697-A836 HydrophobicContact CG-CB 4.5Å
698	R	97.4	Very high	95.9	Very high	72 Å²	72	42.1 Å²	42.1	27%	0.272	21%	0.206	S	C	.	.			trans	56	42.1	-178.1	-54.5	-66	178.3	80	2	111.8	D696 T755 R758 S759 H787	D696-R698 VanDerWaalsContact C-N 3.31Å; D696-R698 WeakPolarHBondContact OD1-CA 3.47Å; D696-R698 PolarHBondContact OD1-N 3.39Å; D696-R698 VanDerWaalsContact OD2-CD 3.3Å; D696-R698 WeakPolarHBondContact OD2-CD 3.28Å; D696-R698 IonicContact OD2-NE 2.73Å; D696-R698 PolarHBondContact OD2-NE 3.08Å; R698-T755 HydrophobicContact CB-CG2 3.95Å; R698-T755 HydrophobicContact CG-CG2 4.3Å; R698-T755 PolarHBondContact NH1-OG1 3.1Å; R698-R758 HydrophobicContact CB-CB 4.42Å; R698-R758 HydrophobicContact CG-CB 4.26Å; R698-S759 WeakPolarHBondContact O-CB 3.33Å; R698-H787 PolarHBondContact O-CE1 3.32Å; R698-H787 PolarHBondContact O-ND1 3.13Å
699	L	97.5	Very high	95.4	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	21%	0.205	C	C	.	.			trans	-70.6	160.8	177.6	-61.6	173.8	0	0	0	111.2	D687 L690 L697 P701 Y763 I766	D687-L699 HydrophobicContact CB-CB 4.42Å; D687-L699 HydrophobicContact CB-CD1 3.87Å; L690-L699 HydrophobicContact CD1-CD1 4.47Å; L697-L699 VanDerWaalsContact C-N 3.26Å; L697-L699 HydrophobicContact CB-CD1 4.3Å; L697-L699 HydrophobicContact CB-CD2 4.19Å; L697-L699 HydrophobicContact CB-CG 3.86Å; L697-L699 PolarHBondContact O-N 3.31Å; L699-P701 VanDerWaalsContact C-CD 3.45Å; L699-P701 WeakPolarHBondContact O-CD 3.3Å; L699-Y763 HydrophobicContact CD2-CD2 3.89Å; L699-Y763 HydrophobicContact CD2-CE2 3.76Å; L699-I766 HydrophobicContact CD1-CD1 3.69Å; L699-I766 HydrophobicContact CD2-CD1 3.7Å; L699-I766 HydrophobicContact CG-CD1 4.34Å
700	T	97.2	Very high	94.9	Very high	25 Å²	25	46.8 Å²	46.8	15%	0.153	22%	0.222	C	C	.	.			trans	-125.3	73	177.4	-48.5	0	0	0	0	110	Y702 V717 Y763 F789	T700-Y702 VanDerWaalsContact C-N 3.26Å; T700-Y702 PolarHBondContact O-N 2.86Å; T700-V717 HydrophobicContact CG2-CG1 4.36Å; T700-V717 HydrophobicContact CG2-CG2 4.32Å; T700-Y763 PolarHBondContact N-OH 3.06Å; T700-Y763 PolarHBondContact O-OH 3.46Å; T700-Y763 VanDerWaalsContact O-OH 3.08Å; T700-F789 HydrophobicContact CG2-CG 4.5Å
701	P	96.1	Very high	94.6	Very high	35 Å²	35	47.3 Å²	47.3	23%	0.227	23%	0.225	C	C	.	.			trans	-71.5	81.1	174.2	29.9	-33.2	0	0	0	110.3	I683 E684 L699	I683-P701 HydrophobicContact CG2-CB 4.12Å; E684-P701 HydrophobicContact CB-CB 3.93Å; E684-P701 HydrophobicContact CB-CG 4.41Å; E684-P701 HydrophobicContact CG-CB 4.45Å; E684-P701 HydrophobicContact CG-CG 4.48Å; L699-P701 VanDerWaalsContact C-CD 3.45Å; L699-P701 WeakPolarHBondContact O-CD 3.3Å
702	Y	97.4	Very high	94.5	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.047	21%	0.206	C	C	.	.			trans	-66.7	146.5	177.9	61.8	-92.9	0	0	0	110.9	L680 T700 V704 V714 F789 H790 I791 F793	L680-Y702 HydrophobicContact CD1-CD2 3.74Å; L680-Y702 HydrophobicContact CD1-CE1 4.22Å; L680-Y702 HydrophobicContact CD1-CE2 3.24Å; L680-Y702 HydrophobicContact CD1-CG 4.4Å; L680-Y702 WeakPolarHBondContact CD1-O 3.36Å; L680-Y702 HydrophobicContact CD2-CD1 3.95Å; L680-Y702 HydrophobicContact CD2-CD2 4.44Å; L680-Y702 HydrophobicContact CD2-CE1 3.7Å; L680-Y702 HydrophobicContact CD2-CE2 4.23Å; L680-Y702 HydrophobicContact CD2-CG 4.31Å; L680-Y702 HydrophobicContact CG-CE2 4.35Å; T700-Y702 VanDerWaalsContact C-N 3.26Å; T700-Y702 PolarHBondContact O-N 2.86Å; Y702-V704 HydrophobicContact CD2-CG2 3.99Å; Y702-V704 HydrophobicContact CE2-CG2 3.73Å; Y702-V714 HydrophobicContact CD2-CG1 3.78Å; Y702-V714 HydrophobicContact CE2-CG1 3.58Å; Y702-F789 HydrophobicContact CD1-CD2 4.07Å; Y702-F789 HydrophobicContact CD1-CE2 4.25Å; Y702-F789 HydrophobicContact CE1-CD2 4.12Å; Y702-F789 HydrophobicContact CE1-CE2 4.39Å; Y702-H790 WeakPolarHBondContact CE1-O 3.17Å; Y702-I791 HydrophobicContact CE1-CG2 4.02Å; Y702-I791 WeakPolarHBondContact OH-CA 3.48Å; Y702-F793 WeakPolarHBondContact OH-CE2 3.39Å
703	K	97.1	Very high	94.7	Very high	51 Å²	51	37 Å²	37	22%	0.222	18%	0.183	C	C	.	.			trans	-72.4	138.9	-175.1	-61.3	-170.2	177.5	-164.6	0	111.7	L627 N628 Q715	L627-K703 HydrophobicContact CD1-CB 3.74Å; L627-K703 HydrophobicContact CG-CB 4.08Å; L627-K703 WeakPolarHBondContact O-CD 3.36Å; N628-K703 HydrophobicContact CB-CD 3.93Å; N628-K703 PolarHBondContact OD1-NZ 2.87Å; K703-Q715 HydrophobicContact CB-CB 4.2Å; K703-Q715 WeakPolarHBondContact O-CB 3.48Å; K703-Q715 PolarHBondContact O-N 2.76Å
704	V	97.2	Very high	94.8	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.3	169.6	173.9	0	0	0	0	109.1	L673 D676 Q677 L680 Y702 L713 V714	L673-V704 HydrophobicContact CB-CG1 4.11Å; L673-V704 HydrophobicContact CD1-CG1 4.28Å; D676-V704 HydrophobicContact CB-CG1 4.35Å; Q677-V704 HydrophobicContact CB-CB 4.49Å; Q677-V704 HydrophobicContact CB-CG1 4.05Å; L680-V704 HydrophobicContact CD1-CB 3.96Å; L680-V704 HydrophobicContact CD1-CG2 3.22Å; Y702-V704 HydrophobicContact CD2-CG2 3.99Å; Y702-V704 HydrophobicContact CE2-CG2 3.73Å; V704-L713 WeakPolarHBondContact CA-O 3.32Å; V704-V714 HydrophobicContact CG1-CG2 4.36Å; V704-V714 HydrophobicContact CG2-CB 4.21Å; V704-V714 HydrophobicContact CG2-CG1 3.86Å; V704-V714 HydrophobicContact CG2-CG2 3.97Å
705	L	96.8	Very high	94.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	113.7	174.8	-177.6	65.4	0	0	0	110.5	Y514 W517 F518 P626 L627 T707 G712 L713	Y514-L705 HydrophobicContact CD1-CD1 4.39Å; W517-L705 HydrophobicContact CB-CD1 4.06Å; W517-L705 HydrophobicContact CB-CD2 4.3Å; W517-L705 HydrophobicContact CD2-CD2 4.41Å; W517-L705 HydrophobicContact CG-CD2 3.98Å; F518-L705 HydrophobicContact CD1-CD1 4.47Å; F518-L705 HydrophobicContact CE1-CD1 3.89Å; P626-L705 VanDerWaalsContact C-CD2 3.49Å; P626-L705 HydrophobicContact CB-CD2 3.74Å; P626-L705 VanDerWaalsContact O-CD2 3.32Å; P626-L705 WeakPolarHBondContact O-CD2 3.43Å; L627-L705 HydrophobicContact CD1-CB 3.87Å; L705-T707 HydrophobicContact CD2-CG2 4.34Å; L705-T707 HydrophobicContact CG-CG2 4.33Å; L705-T707 PolarHBondContact O-N 2.96Å; L705-G712 CarbonylContact O-C 3.28Å; L705-G712 WeakPolarHBondContact O-CA 3.28Å; L705-L713 PolarHBondContact N-O 2.98Å; L705-L713 PolarHBondContact O-N 3.26Å
706	A	94.5	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117	166.7	0	0	0	0	0	109.1	L521 L673 R674	L521-A706 HydrophobicContact CD1-CB 3.46Å; L521-A706 VanDerWaalsContact CD1-CB 3.46Å; L521-A706 VanDerWaalsContact CD1-O 3.28Å; L521-A706 WeakPolarHBondContact CD1-O 3.47Å; L673-A706 HydrophobicContact CB-CB 4.18Å; R674-A706 HydrophobicContact CG-CB 3.85Å
707	T	92.3	Very high	94.9	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.055	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-18	179.4	61.1	0	0	0	0	112.5	W517 I579 L705 L711	W517-T707 HydrophobicContact CD2-CG2 4.48Å; W517-T707 HydrophobicContact CE3-CG2 3.93Å; W517-T707 HydrophobicContact CH2-CG2 4.31Å; W517-T707 HydrophobicContact CZ3-CG2 3.84Å; I579-T707 HydrophobicContact CG2-CG2 4.24Å; L705-T707 HydrophobicContact CD2-CG2 4.34Å; L705-T707 HydrophobicContact CG-CG2 4.33Å; L705-T707 PolarHBondContact O-N 2.96Å; T707-L711 PolarHBondContact N-O 3.34Å; T707-L711 PolarHBondContact OG1-O 2.96Å
708	S	88.7	Confident	94.8	Very high	37 Å²	37	32.3 Å²	32.3	26%	0.259	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-178.9	169.2	68	0	0	0	0	109.1	R710 L711	S708-R710 PolarHBondContact O-N 3.25Å; S708-R710 PolarHBondContact OG-N 3.31Å; S708-L711 PolarHBondContact N-O 2.94Å; S708-L711 VanDerWaalsContact OG-CB 3.28Å; S708-L711 WeakPolarHBondContact OG-CB 3.4Å; S708-L711 PolarHBondContact OG-N 3.45Å
709	N	85.3	Confident	94.7	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.23	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.3	173.4	63.8	-9.6	0	0	0	114.7	S525 D672	S525-N709 PolarHBondContact O-ND2 3.46Å; D672-N709 WeakPolarHBondContact CA-O 3.27Å; D672-N709 WeakPolarHBondContact CB-O 3.16Å
710	R	85.9	Confident	94.6	Very high	104 Å²	104	32 Å²	32	39%	0.392	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	3.8	-179.7	-64.1	-173.9	-179.4	-167.4	4.2	113.9	D530 H669 G670 D671 S708	D530-R710 IonicContact OD2-CZ 3.11Å; D530-R710 IonicContact OD2-NH1 3.82Å; D530-R710 PolarHBondContact OD2-NH1 3.41Å; D530-R710 IonicContact OD2-NH2 2.54Å; D530-R710 PolarHBondContact OD2-NH2 3.37Å; H669-R710 CarbonylContact C-O 3.56Å; H669-R710 VanDerWaalsContact CA-O 3.29Å; H669-R710 WeakPolarHBondContact CA-O 3.24Å; G670-R710 PolarHBondContact N-O 3Å; D671-R710 CarbonylContact O-C 3.55Å; D671-R710 WeakPolarHBondContact O-CA 3.35Å; S708-R710 PolarHBondContact O-N 3.25Å; S708-R710 PolarHBondContact OG-N 3.31Å
711	L	91.3	Very high	94.6	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.058	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133.6	-175	-173.2	77.7	0	0	0	110.3	I579 C583 L667 K668 H669 T707 S708	I579-L711 HydrophobicContact CG2-CD2 3.55Å; C583-L711 HydrophobicContact CB-CD1 4.15Å; C583-L711 HydrophobicContact CB-CD2 3.74Å; L667-L711 HydrophobicContact CD1-CD1 3.92Å; L667-L711 HydrophobicContact CD1-CG 4.4Å; L667-L711 HydrophobicContact CG-CD1 4.34Å; K668-L711 WeakPolarHBondContact O-CA 3.37Å; K668-L711 WeakPolarHBondContact O-CD1 3.45Å; H669-L711 HydrophobicContact CB-CD1 3.84Å; T707-L711 PolarHBondContact N-O 3.34Å; T707-L711 PolarHBondContact OG1-O 2.96Å; S708-L711 PolarHBondContact N-O 2.94Å; S708-L711 VanDerWaalsContact OG-CB 3.28Å; S708-L711 WeakPolarHBondContact OG-CB 3.4Å; S708-L711 PolarHBondContact OG-N 3.45Å
712	G	94.5	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	-179.6	166.8	0	0	0	0	0	114.2	K668 L705	K668-G712 PolarHBondContact N-O 3.28Å; K668-G712 PolarHBondContact O-N 3.07Å; L705-G712 CarbonylContact O-C 3.28Å; L705-G712 WeakPolarHBondContact O-CA 3.28Å
713	L	96.9	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.8	-176.1	-70.2	170.4	0	0	0	110	I579 L627 I666 L667 V704 L705	I579-L713 HydrophobicContact CD1-CD1 3.64Å; I579-L713 HydrophobicContact CD1-CG 4.39Å; L627-L713 HydrophobicContact CB-CB 4.12Å; L627-L713 HydrophobicContact CB-CD1 4.06Å; L627-L713 HydrophobicContact CD1-CB 4.19Å; L627-L713 HydrophobicContact CD2-CB 4.07Å; L627-L713 HydrophobicContact CG-CB 4.36Å; I666-L713 CarbonylContact O-C 3.52Å; I666-L713 WeakPolarHBondContact O-CA 3.26Å; L667-L713 HydrophobicContact CB-CD2 4.16Å; L667-L713 HydrophobicContact CD1-CD2 3.63Å; L667-L713 HydrophobicContact CD1-CG 4.32Å; V704-L713 WeakPolarHBondContact CA-O 3.32Å; L705-L713 PolarHBondContact N-O 2.98Å; L705-L713 PolarHBondContact O-N 3.26Å
714	V	97.4	Very high	94.3	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.085	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.1	176.4	-179.8	0	0	0	0	108.4	A665 I666 K668 L673 Y702 V704 F716	A665-V714 CarbonylContact C-O 3.5Å; A665-V714 VanDerWaalsContact CA-O 3.28Å; A665-V714 WeakPolarHBondContact CA-O 3.32Å; A665-V714 WeakPolarHBondContact CB-O 3.05Å; I666-V714 HydrophobicContact CB-CB 4.24Å; I666-V714 PolarHBondContact N-O 2.63Å; I666-V714 PolarHBondContact O-N 3.46Å; K668-V714 HydrophobicContact CD-CG2 4.27Å; L673-V714 HydrophobicContact CD1-CG2 3.77Å; Y702-V714 HydrophobicContact CD2-CG1 3.78Å; Y702-V714 HydrophobicContact CE2-CG1 3.58Å; V704-V714 HydrophobicContact CG1-CG2 4.36Å; V704-V714 HydrophobicContact CG2-CB 4.21Å; V704-V714 HydrophobicContact CG2-CG1 3.86Å; V704-V714 HydrophobicContact CG2-CG2 3.97Å; V714-F716 PolarHBondContact O-N 3.43Å
715	Q	97.7	Very high	94.3	Very high	52 Å²	52	31.1 Å²	31.1	24%	0.243	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.4	174.6	175.5	178.2	10.7	0	0	110.3	L627 Y663 K703 V717	L627-Q715 HydrophobicContact CD2-CB 4.24Å; Y663-Q715 WeakPolarHBondContact OH-CG 3.45Å; K703-Q715 HydrophobicContact CB-CB 4.2Å; K703-Q715 WeakPolarHBondContact O-CB 3.48Å; K703-Q715 PolarHBondContact O-N 2.76Å; Q715-V717 HydrophobicContact CG-CG2 4.48Å
716	F	97	Very high	94.2	Very high	44 Å²	44	34.1 Å²	34.1	19%	0.193	18%	0.179	C	C	.	.			trans	-89	126.4	173.4	-174.1	-92	0	0	0	110	F644 L652 R664 I666 V714 E718	F644-F716 HydrophobicContact CE1-CE2 4.48Å; F644-F716 HydrophobicContact CZ-CD2 4.17Å; F644-F716 AromaticContact CZ-CE2 3.88Å; F644-F716 HydrophobicContact CZ-CE2 3.88Å; L652-F716 HydrophobicContact CD1-CB 3.84Å; L652-F716 HydrophobicContact CD1-CD1 4.31Å; L652-F716 HydrophobicContact CD1-CD2 3.66Å; L652-F716 HydrophobicContact CD1-CE2 4.34Å; L652-F716 HydrophobicContact CD1-CG 3.65Å; L652-F716 HydrophobicContact CD2-CE2 4.44Å; R664-F716 HydrophobicContact CB-CB 3.8Å; R664-F716 HydrophobicContact CB-CD1 4.16Å; R664-F716 HydrophobicContact CB-CG 4.33Å; R664-F716 PolarHBondContact O-N 3.29Å; I666-F716 HydrophobicContact CD1-CD2 3.96Å; I666-F716 HydrophobicContact CG1-CB 4.27Å; I666-F716 HydrophobicContact CG1-CD2 3.96Å; V714-F716 PolarHBondContact O-N 3.43Å; F716-E718 WeakPolarHBondContact CE1-OE1 3.41Å
717	V	96.5	Very high	94.1	Very high	29 Å²	29	42.2 Å²	42.2	18%	0.176	22%	0.217	C	C	.	.			trans	-110.9	123.6	175.9	179.7	0	0	0	0	108.8	T700 Q715 S719 T783 F789	T700-V717 HydrophobicContact CG2-CG1 4.36Å; T700-V717 HydrophobicContact CG2-CG2 4.32Å; Q715-V717 HydrophobicContact CG-CG2 4.48Å; V717-S719 PolarHBondContact O-N 2.87Å; V717-S719 PolarHBondContact O-OG 3Å; V717-T783 HydrophobicContact CG1-CG2 3.98Å; V717-F789 HydrophobicContact CB-CE1 4.5Å; V717-F789 HydrophobicContact CB-CE2 4.4Å; V717-F789 HydrophobicContact CB-CZ 3.85Å; V717-F789 HydrophobicContact CG1-CE1 4.02Å; V717-F789 HydrophobicContact CG1-CZ 3.87Å
718	E	95.4	Very high	94.2	Very high	111 Å²	111	51.2 Å²	51.2	52%	0.519	25%	0.25	S	C	.	.			trans	-59.7	107.2	178.4	-60.3	-55.1	144	0	0	111	R664 F716	R664-E718 VanDerWaalsContact CD-OE1 3.32Å; R664-E718 WeakPolarHBondContact CD-OE1 3.43Å; R664-E718 IonicContact CZ-OE1 3.32Å; R664-E718 IonicContact CZ-OE2 3.14Å; R664-E718 IonicContact NE-OE1 2.72Å; R664-E718 PolarHBondContact NE-OE1 3.5Å; R664-E718 IonicContact NH1-OE1 2.93Å; R664-E718 PolarHBondContact NH1-OE1 2.92Å; R664-E718 IonicContact NH1-OE2 3.36Å; R664-E718 PolarHBondContact NH1-OE2 3Å; R664-E718 IonicContact NH2-OE1 3.74Å; F716-E718 WeakPolarHBondContact CE1-OE1 3.41Å
719	S	95.7	Very high	94.4	Very high	40 Å²	40	51.8 Å²	51.8	28%	0.28	25%	0.253	S	S	.	.			trans	-159.1	167.1	-171.5	56.2	0	0	0	0	111.3	V717 L781 L782 F789	V717-S719 PolarHBondContact O-N 2.87Å; V717-S719 PolarHBondContact O-OG 3Å; S719-L781 WeakPolarHBondContact OG-CD1 3.38Å; S719-L782 WeakPolarHBondContact CA-O 3.29Å; S719-F789 WeakPolarHBondContact OG-CZ 3.28Å
720	I	95.9	Very high	94.9	Very high	34 Å²	34	53.8 Å²	53.8	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.4	175.7	-173.7	167.8	0	0	0	109.2	D724 I725 Y734 L781 L782	I720-D724 HydrophobicContact CD1-CB 3.99Å; I720-D724 HydrophobicContact CG1-CB 3.75Å; I720-I725 HydrophobicContact CB-CG1 4.46Å; I720-I725 HydrophobicContact CD1-CG1 4.11Å; I720-I725 HydrophobicContact CG1-CG1 4.13Å; I720-I725 HydrophobicContact CG2-CD1 3.49Å; I720-I725 VanDerWaalsContact CG2-CD1 3.49Å; I720-I725 HydrophobicContact CG2-CG1 3.55Å; I720-Y734 HydrophobicContact CG2-CE1 4.22Å; I720-Y734 HydrophobicContact CG2-CE2 4.02Å; I720-Y734 WeakPolarHBondContact CG2-OH 3.48Å; I720-L781 CarbonylContact O-C 3.58Å; I720-L781 WeakPolarHBondContact O-CA 3.47Å; I720-L782 PolarHBondContact N-O 3.31Å; I720-L782 PolarHBondContact O-N 3.4Å
721	S	96	Very high	95.3	Very high	10 Å²	10	48.9 Å²	48.9	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	148.2	177.1	77.2	0	0	0	0	111.5	A723 D724 I725 L780 L781	S721-A723 PolarHBondContact O-N 2.96Å; S721-D724 PolarHBondContact O-N 3.08Å; S721-D724 WeakPolarHBondContact OG-CB 3.46Å; S721-D724 PolarHBondContact OG-N 2.91Å; S721-D724 PolarHBondContact OG-OD2 3.3Å; S721-I725 PolarHBondContact O-N 2.87Å; S721-I725 VanDerWaalsContact O-N 3.08Å; S721-L780 CarbonylContact C-O 3.53Å; S721-L780 WeakPolarHBondContact CA-O 3.21Å; S721-L781 VanDerWaalsContact CA-CD2 3.5Å
722	L	96.2	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-32.8	174.4	-60.9	-167	0	0	0	110.8	I725 L726 L731 M777 L780 L782 L788 M814	L722-I725 HydrophobicContact CD2-CD1 4.17Å; L722-I725 PolarHBondContact O-N 3.49Å; L722-L726 VanDerWaalsContact O-CB 3.27Å; L722-L726 WeakPolarHBondContact O-CB 3.35Å; L722-L726 WeakPolarHBondContact O-CG 3.35Å; L722-L726 PolarHBondContact O-N 3.48Å; L722-L731 HydrophobicContact CD1-CD1 4.4Å; L722-L731 HydrophobicContact CD2-CD1 4.4Å; L722-L731 HydrophobicContact CD2-CD2 3.78Å; L722-M777 HydrophobicContact CB-CB 4.41Å; L722-M777 HydrophobicContact CB-SD 4.08Å; L722-M777 HydrophobicContact CD1-SD 4.21Å; L722-M777 PolarHBondContact N-O 3.23Å; L722-L780 HydrophobicContact CB-CB 4.43Å; L722-L780 HydrophobicContact CD1-CB 3.68Å; L722-L780 HydrophobicContact CD1-CD2 3.86Å; L722-L780 HydrophobicContact CD1-CG 4.45Å; L722-L780 HydrophobicContact CG-CB 3.76Å; L722-L780 WeakPolarHBondContact CG-O 3.35Å; L722-L780 PolarHBondContact N-O 2.99Å; L722-L782 HydrophobicContact CD2-CB 3.78Å; L722-L782 HydrophobicContact CD2-CD2 4.35Å; L722-L788 HydrophobicContact CD1-CD1 4.08Å; L722-M814 HydrophobicContact CD1-CG 4.2Å
723	A	94.5	Very high	95.5	Very high	28 Å²	28	51.6 Å²	51.6	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-47.1	174.5	0	0	0	0	0	111.9	S721 L726 H727 M777 E778	S721-A723 PolarHBondContact O-N 2.96Å; A723-L726 PolarHBondContact O-N 3.25Å; A723-H727 WeakPolarHBondContact O-CB 3.47Å; A723-H727 PolarHBondContact O-N 3.2Å; A723-M777 HydrophobicContact CB-CB 3.85Å; A723-M777 PolarHBondContact N-O 3.5Å; A723-E778 HydrophobicContact CB-CG 3.76Å
724	D	95.4	Very high	95.4	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-36.5	179.1	-70.4	-46	0	0	0	112.5	I720 S721	I720-D724 HydrophobicContact CD1-CB 3.99Å; I720-D724 HydrophobicContact CG1-CB 3.75Å; S721-D724 PolarHBondContact O-N 3.08Å; S721-D724 WeakPolarHBondContact OG-CB 3.46Å; S721-D724 PolarHBondContact OG-N 2.91Å; S721-D724 PolarHBondContact OG-OD2 3.3Å
725	I	95.8	Very high	95.3	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-51.9	173.2	-64.3	164.3	0	0	0	109.7	I720 S721 L722 H727 R728 S729 L731 Y734 L782	I720-I725 HydrophobicContact CB-CG1 4.46Å; I720-I725 HydrophobicContact CD1-CG1 4.11Å; I720-I725 HydrophobicContact CG1-CG1 4.13Å; I720-I725 HydrophobicContact CG2-CD1 3.49Å; I720-I725 VanDerWaalsContact CG2-CD1 3.49Å; I720-I725 HydrophobicContact CG2-CG1 3.55Å; S721-I725 PolarHBondContact O-N 2.87Å; S721-I725 VanDerWaalsContact O-N 3.08Å; L722-I725 HydrophobicContact CD2-CD1 4.17Å; L722-I725 PolarHBondContact O-N 3.49Å; I725-H727 PolarHBondContact O-N 2.9Å; I725-R728 PolarHBondContact O-N 3.44Å; I725-S729 PolarHBondContact O-N 3.37Å; I725-S729 VanDerWaalsContact O-O 3.04Å; I725-L731 HydrophobicContact CB-CD2 4.04Å; I725-L731 HydrophobicContact CD1-CD2 4.07Å; I725-L731 HydrophobicContact CG2-CD2 3.73Å; I725-Y734 HydrophobicContact CD1-CD1 3.81Å; I725-Y734 HydrophobicContact CD1-CD2 4.4Å; I725-Y734 HydrophobicContact CD1-CE1 3.97Å; I725-Y734 HydrophobicContact CD1-CG 4.04Å; I725-Y734 HydrophobicContact CG1-CD1 4.36Å; I725-Y734 HydrophobicContact CG1-CD2 4.07Å; I725-Y734 HydrophobicContact CG1-CE2 4.32Å; I725-Y734 HydrophobicContact CG1-CG 4.1Å; I725-Y734 HydrophobicContact CG2-CD2 4.32Å; I725-Y734 HydrophobicContact CG2-CG 3.94Å; I725-L782 HydrophobicContact CD1-CB 3.99Å; I725-L782 HydrophobicContact CD1-CD2 3.78Å; I725-L782 HydrophobicContact CD1-CG 4.44Å
726	L	94.8	Very high	95.1	Very high	65 Å²	65	53.2 Å²	53.2	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-23.1	-175.3	-70.2	173.2	0	0	0	113.4	L722 A723 R728 S729 L731 M777 A813	L722-L726 VanDerWaalsContact O-CB 3.27Å; L722-L726 WeakPolarHBondContact O-CB 3.35Å; L722-L726 WeakPolarHBondContact O-CG 3.35Å; L722-L726 PolarHBondContact O-N 3.48Å; A723-L726 PolarHBondContact O-N 3.25Å; L726-R728 VanDerWaalsContact C-N 3.28Å; L726-S729 VanDerWaalsContact CA-O 3.28Å; L726-S729 WeakPolarHBondContact CA-O 3.33Å; L726-L731 HydrophobicContact CD2-CD2 4.19Å; L726-L731 HydrophobicContact CD2-CG 4.1Å; L726-L731 HydrophobicContact CG-CD2 4.23Å; L726-M777 HydrophobicContact CD1-CG 4.47Å; L726-M777 HydrophobicContact CD1-SD 4.08Å; L726-A813 HydrophobicContact CD1-CB 3.88Å; L726-A813 HydrophobicContact CD2-CB 3.87Å
727	H	94	Very high	95	Very high	171 Å²	171	57.6 Å²	57.6	79%	0.792	30%	0.298	S	S	*	.	H	α-helix	trans	-69.3	-25.9	170.6	-169.5	66.1	0	0	0	112.9	A723 I725	A723-H727 WeakPolarHBondContact O-CB 3.47Å; A723-H727 PolarHBondContact O-N 3.2Å; I725-H727 PolarHBondContact O-N 2.9Å
728	R	93.6	Very high	94.9	Very high	198 Å²	198	61.5 Å²	61.5	75%	0.747	31%	0.313	S	S	*	.	H	α-helix	trans	-105	-38.5	-175.5	-60.8	178.3	-172.3	-176.5	4.1	113.5	I725 L726	I725-R728 PolarHBondContact O-N 3.44Å; L726-R728 VanDerWaalsContact C-N 3.28Å
729	S	93.1	Very high	94.8	Very high	48 Å²	48	56.5 Å²	56.5	34%	0.336	29%	0.291	S	S	.	.	S	Bend	trans	-160.3	-172.4	-177.1	75.2	0	0	0	0	111.6	I725 L726	I725-S729 PolarHBondContact O-N 3.37Å; I725-S729 VanDerWaalsContact O-O 3.04Å; L726-S729 VanDerWaalsContact CA-O 3.28Å; L726-S729 WeakPolarHBondContact CA-O 3.33Å
730	T	94.7	Very high	94.7	Very high	85 Å²	85	58.5 Å²	58.5	52%	0.521	30%	0.303	S	S	.	.			trans	-80	161	167	66.4	0	0	0	0	111.1	L732 A733 Y734	T730-L732 VanDerWaalsContact C-N 3.3Å; T730-L732 PolarHBondContact O-N 2.49Å; T730-A733 PolarHBondContact O-N 3.25Å; T730-A733 WeakPolarHBondContact OG1-CB 3.37Å; T730-A733 PolarHBondContact OG1-N 2.76Å; T730-A733 VanDerWaalsContact OG1-N 3.14Å; T730-Y734 PolarHBondContact O-N 3.38Å
731	L	94.9	Very high	94.5	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-40.9	174	-61.6	-175.9	0	0	0	111.7	L722 I725 L726 A733 Y734 L735 Y756 M814	L722-L731 HydrophobicContact CD1-CD1 4.4Å; L722-L731 HydrophobicContact CD2-CD1 4.4Å; L722-L731 HydrophobicContact CD2-CD2 3.78Å; I725-L731 HydrophobicContact CB-CD2 4.04Å; I725-L731 HydrophobicContact CD1-CD2 4.07Å; I725-L731 HydrophobicContact CG2-CD2 3.73Å; L726-L731 HydrophobicContact CD2-CD2 4.19Å; L726-L731 HydrophobicContact CD2-CG 4.1Å; L726-L731 HydrophobicContact CG-CD2 4.23Å; L731-A733 PolarHBondContact O-N 3.22Å; L731-Y734 WeakPolarHBondContact O-CB 3.48Å; L731-Y734 PolarHBondContact O-N 2.94Å; L731-L735 WeakPolarHBondContact O-CG 3.4Å; L731-L735 PolarHBondContact O-N 3.13Å; L731-Y756 WeakPolarHBondContact CD1-OH 3.19Å; L731-M814 HydrophobicContact CD1-CG 4.25Å
732	L	94.9	Very high	94	Very high	34 Å²	34	63.8 Å²	63.8	18%	0.178	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-45.2	177	179.3	59.5	0	0	0	111.4	T730 Y734 L735 Q736 M746 V748 M753	T730-L732 VanDerWaalsContact C-N 3.3Å; T730-L732 PolarHBondContact O-N 2.49Å; L732-Y734 VanDerWaalsContact C-N 3.29Å; L732-Y734 PolarHBondContact O-N 3.5Å; L732-L735 PolarHBondContact O-N 3.09Å; L732-Q736 HydrophobicContact CD1-CG 4.28Å; L732-Q736 HydrophobicContact CG-CG 4.42Å; L732-Q736 WeakPolarHBondContact O-CB 3.4Å; L732-Q736 VanDerWaalsContact O-CG 3.25Å; L732-Q736 WeakPolarHBondContact O-CG 3.05Å; L732-Q736 PolarHBondContact O-N 3.48Å; L732-M746 HydrophobicContact CD1-CB 4.21Å; L732-V748 HydrophobicContact CD1-CG2 3.92Å; L732-M753 HydrophobicContact CD1-CE 3.88Å
733	A	94.3	Very high	93.5	Very high	33 Å²	33	71.2 Å²	71.2	27%	0.273	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-37	177.3	0	0	0	0	0	112.2	T730 L731 Q736 L737	T730-A733 PolarHBondContact O-N 3.25Å; T730-A733 WeakPolarHBondContact OG1-CB 3.37Å; T730-A733 PolarHBondContact OG1-N 2.76Å; T730-A733 VanDerWaalsContact OG1-N 3.14Å; L731-A733 PolarHBondContact O-N 3.22Å; A733-Q736 PolarHBondContact O-N 3.26Å; A733-L737 WeakPolarHBondContact O-CB 3.44Å; A733-L737 PolarHBondContact O-N 3.3Å
734	Y	95.1	Very high	93.1	Very high	28 Å²	28	70.9 Å²	70.9	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-63.8	-45.8	173.9	174.8	-96.2	0	0	0	112	I720 I725 T730 L731 L732 L737 K738 L782	I720-Y734 HydrophobicContact CG2-CE1 4.22Å; I720-Y734 HydrophobicContact CG2-CE2 4.02Å; I720-Y734 WeakPolarHBondContact CG2-OH 3.48Å; I725-Y734 HydrophobicContact CD1-CD1 3.81Å; I725-Y734 HydrophobicContact CD1-CD2 4.4Å; I725-Y734 HydrophobicContact CD1-CE1 3.97Å; I725-Y734 HydrophobicContact CD1-CG 4.04Å; I725-Y734 HydrophobicContact CG1-CD1 4.36Å; I725-Y734 HydrophobicContact CG1-CD2 4.07Å; I725-Y734 HydrophobicContact CG1-CE2 4.32Å; I725-Y734 HydrophobicContact CG1-CG 4.1Å; I725-Y734 HydrophobicContact CG2-CD2 4.32Å; I725-Y734 HydrophobicContact CG2-CG 3.94Å; T730-Y734 PolarHBondContact O-N 3.38Å; L731-Y734 WeakPolarHBondContact O-CB 3.48Å; L731-Y734 PolarHBondContact O-N 2.94Å; L732-Y734 VanDerWaalsContact C-N 3.29Å; L732-Y734 PolarHBondContact O-N 3.5Å; Y734-L737 WeakPolarHBondContact O-CB 3.24Å; Y734-L737 PolarHBondContact O-N 2.95Å; Y734-K738 HydrophobicContact CD1-CG 4.48Å; Y734-K738 HydrophobicContact CD2-CG 4.4Å; Y734-K738 HydrophobicContact CE1-CG 4.04Å; Y734-K738 HydrophobicContact CE2-CD 4.46Å; Y734-K738 HydrophobicContact CE2-CG 3.95Å; Y734-K738 WeakPolarHBondContact O-CG 3.49Å; Y734-K738 PolarHBondContact O-N 2.91Å; Y734-L782 HydrophobicContact CD1-CD2 3.77Å; Y734-L782 HydrophobicContact CE1-CD2 3.87Å; Y734-L782 HydrophobicContact CE1-CG 4.23Å
735	L	94.9	Very high	92.3	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-40.3	176.7	-69.4	173.8	0	0	0	112	L731 L732 L737 K738 A739 V748 V752 M753 Y756 L782	L731-L735 WeakPolarHBondContact O-CG 3.4Å; L731-L735 PolarHBondContact O-N 3.13Å; L732-L735 PolarHBondContact O-N 3.09Å; L735-L737 VanDerWaalsContact C-N 3.31Å; L735-L737 PolarHBondContact O-N 3.38Å; L735-K738 PolarHBondContact O-N 3.03Å; L735-A739 PolarHBondContact O-N 3.07Å; L735-V748 HydrophobicContact CB-CG1 4.04Å; L735-V748 HydrophobicContact CB-CG2 3.92Å; L735-V752 HydrophobicContact CD2-CG1 4.04Å; L735-M753 HydrophobicContact CD1-CE 4.08Å; L735-Y756 HydrophobicContact CD1-CD1 4.12Å; L735-Y756 HydrophobicContact CD1-CD2 4.36Å; L735-Y756 HydrophobicContact CD1-CG 4Å; L735-L782 HydrophobicContact CD2-CD2 4.12Å; L735-L782 HydrophobicContact CG-CD2 4.5Å
736	Q	94.8	Very high	91.8	Very high	73 Å²	73	74.2 Å²	74.2	34%	0.341	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-38.7	174.2	-73.1	170.3	-22.5	0	0	111.9	L732 A733 P740 M746 V748	L732-Q736 HydrophobicContact CD1-CG 4.28Å; L732-Q736 HydrophobicContact CG-CG 4.42Å; L732-Q736 WeakPolarHBondContact O-CB 3.4Å; L732-Q736 VanDerWaalsContact O-CG 3.25Å; L732-Q736 WeakPolarHBondContact O-CG 3.05Å; L732-Q736 PolarHBondContact O-N 3.48Å; A733-Q736 PolarHBondContact O-N 3.26Å; Q736-P740 WeakPolarHBondContact O-CA 3.39Å; Q736-P740 WeakPolarHBondContact O-CB 3.39Å; Q736-P740 WeakPolarHBondContact O-CD 3.11Å; Q736-M746 WeakPolarHBondContact CG-O 3.34Å; Q736-M746 PolarHBondContact NE2-O 2.88Å; Q736-V748 HydrophobicContact CB-CG2 4.34Å; Q736-V748 HydrophobicContact CG-CG2 3.56Å
737	L	94.3	Very high	91.6	Very high	135 Å²	135	72.3 Å²	72.3	71%	0.707	40%	0.395	S	S	*	.	H	α-helix	trans	-68.8	-40.6	177.4	-179.3	68.6	0	0	0	112.2	A733 Y734 L735	A733-L737 WeakPolarHBondContact O-CB 3.44Å; A733-L737 PolarHBondContact O-N 3.3Å; Y734-L737 WeakPolarHBondContact O-CB 3.24Å; Y734-L737 PolarHBondContact O-N 2.95Å; L735-L737 VanDerWaalsContact C-N 3.31Å; L735-L737 PolarHBondContact O-N 3.38Å
738	K	94	Very high	91.6	Very high	112 Å²	112	64.2 Å²	64.2	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-81.4	-34.8	-175.8	-68.5	-60.8	-174.5	178.1	0	113.6	Y734 L735 A784	Y734-K738 HydrophobicContact CD1-CG 4.48Å; Y734-K738 HydrophobicContact CD2-CG 4.4Å; Y734-K738 HydrophobicContact CE1-CG 4.04Å; Y734-K738 HydrophobicContact CE2-CD 4.46Å; Y734-K738 HydrophobicContact CE2-CG 3.95Å; Y734-K738 WeakPolarHBondContact O-CG 3.49Å; Y734-K738 PolarHBondContact O-N 2.91Å; L735-K738 PolarHBondContact O-N 3.03Å; K738-A784 HydrophobicContact CD-CB 4.37Å; K738-A784 HydrophobicContact CG-CB 4.46Å
739	A	93.6	Very high	91.6	Very high	6 Å²	6	59.5 Å²	59.5	5%	0.05	34%	0.344	C	S	.	.	S	Bend	trans	-139.2	67.2	-177.6	0	0	0	0	0	111.6	L735 V748 Q749 V752	L735-A739 PolarHBondContact O-N 3.07Å; A739-V748 CarbonylContact O-C 3.56Å; A739-V748 WeakPolarHBondContact O-CA 3.32Å; A739-Q749 HydrophobicContact CB-CB 4.2Å; A739-Q749 HydrophobicContact CB-CG 4.2Å; A739-Q749 PolarHBondContact O-N 3.41Å; A739-V752 HydrophobicContact CB-CB 4.05Å; A739-V752 HydrophobicContact CB-CG1 3.98Å; A739-V752 HydrophobicContact CB-CG2 3.68Å
740	P	93.7	Very high	91.6	Very high	82 Å²	82	64.7 Å²	64.7	53%	0.532	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-65.8	139.1	-177.2	25.9	-33.5	0	0	0	111.8	Q736 G747	Q736-P740 WeakPolarHBondContact O-CA 3.39Å; Q736-P740 WeakPolarHBondContact O-CB 3.39Å; Q736-P740 WeakPolarHBondContact O-CD 3.11Å; P740-G747 WeakPolarHBondContact CA-O 3.48Å
741	S	92.9	Very high	91.6	Very high	30 Å²	30	65.7 Å²	65.7	21%	0.21	36%	0.363	C	S	.	.			trans	-144.4	107.4	170.2	-175.5	0	0	0	0	111.5	N743 S744 G747	S741-N743 PolarHBondContact O-N 3.43Å; S741-S744 PolarHBondContact O-N 3Å; S741-S744 PolarHBondContact O-OG 2.89Å; S741-G747 PolarHBondContact N-O 3.09Å; S741-G747 CarbonylContact O-C 3.43Å; S741-G747 VanDerWaalsContact O-CA 3.27Å; S741-G747 WeakPolarHBondContact O-CA 3.46Å
742	P	84.5	Confident	91.7	Very high	125 Å²	125	66.2 Å²	66.2	81%	0.812	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.7	-175.6	25.6	-33.6	0	0	0	113.6
743	N	85	Confident	91.7	Very high	156 Å²	156	65 Å²	65	83%	0.834	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.7	-178.2	-62.2	-15.5	0	0	0	113.2	S741	S741-N743 PolarHBondContact O-N 3.43Å
744	S	86.1	Confident	91.8	Very high	21 Å²	21	66 Å²	66	15%	0.147	36%	0.359	C	S	.	.	S	Bend	trans	-89.9	143.5	-179.7	71.5	0	0	0	0	110.7	S741 M746 G747 V748	S741-S744 PolarHBondContact O-N 3Å; S741-S744 PolarHBondContact O-OG 2.89Å; S744-M746 PolarHBondContact O-N 3.23Å; S744-G747 PolarHBondContact O-N 3.24Å; S744-G747 VanDerWaalsContact O-N 3.1Å; S744-G747 VanDerWaalsContact OG-C 3.29Å; S744-G747 VanDerWaalsContact OG-CA 3.29Å; S744-G747 WeakPolarHBondContact OG-CA 3.39Å; S744-G747 PolarHBondContact OG-N 3.39Å; S744-V748 WeakPolarHBondContact CB-O 3.08Å; S744-V748 PolarHBondContact OG-N 3.14Å; S744-V748 PolarHBondContact OG-O 2.72Å
745	P	79.3	Confident	91.9	Very high	125 Å²	125	65 Å²	65	81%	0.812	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22	-179.2	-28.4	34.8	0	0	0	115.3
746	M	84.4	Confident	92	Very high	29 Å²	29	65 Å²	65	14%	0.143	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	7.8	-176.7	-66.4	-171.2	-71.4	0	0	113.7	L732 Q736 S744 V748 M753 Q825	L732-M746 HydrophobicContact CD1-CB 4.21Å; Q736-M746 WeakPolarHBondContact CG-O 3.34Å; Q736-M746 PolarHBondContact NE2-O 2.88Å; S744-M746 PolarHBondContact O-N 3.23Å; M746-V748 PolarHBondContact O-N 2.75Å; M746-M753 HydrophobicContact CE-CE 3.62Å; M746-M753 HydrophobicContact CE-CG 3.4Å; M746-M753 HydrophobicContact CE-SD 3.55Å; M746-M753 VanDerWaalsContact CE-SD 3.55Å; M746-M753 HydrophobicContact SD-CE 4.22Å; M746-Q825 HydrophobicContact CE-CB 4.32Å; M746-Q825 HydrophobicContact CE-CG 3.52Å
747	G	91.5	Very high	92.2	Very high	25 Å²	25	61.9 Å²	61.9	26%	0.258	34%	0.341	S	S	.	.	S	Bend	trans	71.6	11	-177.9	0	0	0	0	0	115.2	P740 S741 S744	P740-G747 WeakPolarHBondContact CA-O 3.48Å; S741-G747 PolarHBondContact N-O 3.09Å; S741-G747 CarbonylContact O-C 3.43Å; S741-G747 VanDerWaalsContact O-CA 3.27Å; S741-G747 WeakPolarHBondContact O-CA 3.46Å; S744-G747 PolarHBondContact O-N 3.24Å; S744-G747 VanDerWaalsContact O-N 3.1Å; S744-G747 VanDerWaalsContact OG-C 3.29Å; S744-G747 VanDerWaalsContact OG-CA 3.29Å; S744-G747 WeakPolarHBondContact OG-CA 3.39Å; S744-G747 PolarHBondContact OG-N 3.39Å
748	V	93.2	Very high	92.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-117.4	137.9	-179.6	-174	0	0	0	0	109.9	L732 L735 Q736 A739 S744 M746 K750 V752 M753	L732-V748 HydrophobicContact CD1-CG2 3.92Å; L735-V748 HydrophobicContact CB-CG1 4.04Å; L735-V748 HydrophobicContact CB-CG2 3.92Å; Q736-V748 HydrophobicContact CB-CG2 4.34Å; Q736-V748 HydrophobicContact CG-CG2 3.56Å; A739-V748 CarbonylContact O-C 3.56Å; A739-V748 WeakPolarHBondContact O-CA 3.32Å; S744-V748 WeakPolarHBondContact CB-O 3.08Å; S744-V748 PolarHBondContact OG-N 3.14Å; S744-V748 PolarHBondContact OG-O 2.72Å; M746-V748 PolarHBondContact O-N 2.75Å; V748-K750 PolarHBondContact O-N 3.19Å; V748-V752 HydrophobicContact CG1-CB 4.18Å; V748-V752 HydrophobicContact CG1-CG1 4Å; V748-M753 HydrophobicContact CB-CB 4.5Å; V748-M753 HydrophobicContact CB-CE 3.95Å; V748-M753 HydrophobicContact CG1-CB 4.26Å; V748-M753 HydrophobicContact CG1-CE 4.21Å; V748-M753 HydrophobicContact CG2-CE 3.81Å
749	Q	94.6	Very high	92.5	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	29%	0.292	S	S	.	.			trans	-48.4	132.8	172.5	-72	-176.7	-15.6	0	0	111.4	A739 D751 V752 M753	A739-Q749 HydrophobicContact CB-CB 4.2Å; A739-Q749 HydrophobicContact CB-CG 4.2Å; A739-Q749 PolarHBondContact O-N 3.41Å; Q749-D751 VanDerWaalsContact C-N 3.3Å; Q749-D751 PolarHBondContact O-N 2.57Å; Q749-V752 HydrophobicContact CB-CB 4.34Å; Q749-V752 HydrophobicContact CB-CG2 4.16Å; Q749-V752 PolarHBondContact O-N 3.18Å; Q749-V752 VanDerWaalsContact O-N 3.13Å; Q749-M753 PolarHBondContact O-N 3.29Å
750	K	93.5	Very high	92.7	Very high	157 Å²	157	51.9 Å²	51.9	68%	0.683	29%	0.29	S	S	*	.	H	α-helix	trans	-54.3	-46.6	-173.2	-174.3	-172.4	172.2	-168	0	111.9	V748 V752 M753 E754	V748-K750 PolarHBondContact O-N 3.19Å; K750-V752 VanDerWaalsContact C-N 3.34Å; K750-V752 PolarHBondContact O-N 3.22Å; K750-M753 PolarHBondContact O-N 3.24Å; K750-E754 WeakPolarHBondContact O-CB 3.46Å; K750-E754 PolarHBondContact O-N 2.83Å
751	D	94.6	Very high	92.9	Very high	107 Å²	107	48 Å²	48	57%	0.572	27%	0.265	S	S	*	.	H	α-helix	trans	-66.4	-34.2	-177.4	-61.5	-27.2	0	0	0	112.7	Q749 T755	Q749-D751 VanDerWaalsContact C-N 3.3Å; Q749-D751 PolarHBondContact O-N 2.57Å; D751-T755 VanDerWaalsContact O-CB 3.28Å; D751-T755 WeakPolarHBondContact O-CB 3.32Å; D751-T755 PolarHBondContact O-N 3.21Å; D751-T755 PolarHBondContact O-OG1 3.49Å
752	V	96.3	Very high	93.1	Very high	12 Å²	12	46.6 Å²	46.6	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-44.4	177	171.3	0	0	0	0	110.8	L735 A739 V748 Q749 K750 T755 Y756	L735-V752 HydrophobicContact CD2-CG1 4.04Å; A739-V752 HydrophobicContact CB-CB 4.05Å; A739-V752 HydrophobicContact CB-CG1 3.98Å; A739-V752 HydrophobicContact CB-CG2 3.68Å; V748-V752 HydrophobicContact CG1-CB 4.18Å; V748-V752 HydrophobicContact CG1-CG1 4Å; Q749-V752 HydrophobicContact CB-CB 4.34Å; Q749-V752 HydrophobicContact CB-CG2 4.16Å; Q749-V752 PolarHBondContact O-N 3.18Å; Q749-V752 VanDerWaalsContact O-N 3.13Å; K750-V752 VanDerWaalsContact C-N 3.34Å; K750-V752 PolarHBondContact O-N 3.22Å; V752-T755 PolarHBondContact O-N 3.05Å; V752-Y756 PolarHBondContact O-N 3.46Å
753	M	95.7	Very high	93.7	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.049	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-40.6	175.6	-178.3	59.6	61.5	0	0	111.7	L732 L735 M746 V748 Q749 K750 Y756 I757 M818	L732-M753 HydrophobicContact CD1-CE 3.88Å; L735-M753 HydrophobicContact CD1-CE 4.08Å; M746-M753 HydrophobicContact CE-CE 3.62Å; M746-M753 HydrophobicContact CE-CG 3.4Å; M746-M753 HydrophobicContact CE-SD 3.55Å; M746-M753 VanDerWaalsContact CE-SD 3.55Å; M746-M753 HydrophobicContact SD-CE 4.22Å; V748-M753 HydrophobicContact CB-CB 4.5Å; V748-M753 HydrophobicContact CB-CE 3.95Å; V748-M753 HydrophobicContact CG1-CB 4.26Å; V748-M753 HydrophobicContact CG1-CE 4.21Å; V748-M753 HydrophobicContact CG2-CE 3.81Å; Q749-M753 PolarHBondContact O-N 3.29Å; K750-M753 PolarHBondContact O-N 3.24Å; M753-Y756 PolarHBondContact O-N 3.16Å; M753-Y756 HydrophobicContact SD-CD1 4.18Å; M753-I757 HydrophobicContact CG-CD1 3.91Å; M753-I757 WeakPolarHBondContact O-CD1 3.34Å; M753-I757 VanDerWaalsContact O-CG1 3.25Å; M753-I757 WeakPolarHBondContact O-CG1 3.38Å; M753-I757 PolarHBondContact O-N 2.63Å; M753-I757 HydrophobicContact SD-CD1 4.19Å; M753-I757 HydrophobicContact SD-CG1 4.37Å; M753-M818 HydrophobicContact SD-CB 4.49Å
754	E	95.9	Very high	94.2	Very high	53 Å²	53	33.3 Å²	33.3	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-43.4	174.6	-177.5	170	176.1	0	0	111.5	K750 Y756 I757 R758	K750-E754 WeakPolarHBondContact O-CB 3.46Å; K750-E754 PolarHBondContact O-N 2.83Å; E754-Y756 VanDerWaalsContact C-N 3.33Å; E754-Y756 PolarHBondContact O-N 2.99Å; E754-I757 PolarHBondContact O-N 3.41Å; E754-R758 HydrophobicContact CG-CG 4.29Å; E754-R758 WeakPolarHBondContact O-CB 3.23Å; E754-R758 VanDerWaalsContact O-CG 3.28Å; E754-R758 WeakPolarHBondContact O-CG 3.43Å; E754-R758 PolarHBondContact O-N 3.41Å; E754-R758 IonicContact OE1-CZ 3.22Å; E754-R758 IonicContact OE1-NE 2.81Å; E754-R758 PolarHBondContact OE1-NE 2.9Å; E754-R758 IonicContact OE1-NH2 2.77Å; E754-R758 PolarHBondContact OE1-NH2 2.84Å
755	T	97.5	Very high	94.7	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-43.7	175.1	-61.7	0	0	0	0	111.4	R698 D751 V752 R758 S759 G786 H787	R698-T755 HydrophobicContact CB-CG2 3.95Å; R698-T755 HydrophobicContact CG-CG2 4.3Å; R698-T755 PolarHBondContact NH1-OG1 3.1Å; D751-T755 VanDerWaalsContact O-CB 3.28Å; D751-T755 WeakPolarHBondContact O-CB 3.32Å; D751-T755 PolarHBondContact O-N 3.21Å; D751-T755 PolarHBondContact O-OG1 3.49Å; V752-T755 PolarHBondContact O-N 3.05Å; T755-R758 PolarHBondContact O-N 3.34Å; T755-S759 VanDerWaalsContact O-CB 3.25Å; T755-S759 WeakPolarHBondContact O-CB 3.34Å; T755-S759 PolarHBondContact O-N 3.38Å; T755-S759 PolarHBondContact O-OG 3.12Å; T755-G786 CarbonylContact C-O 3.46Å; T755-H787 HydrophobicContact CG2-CB 4.41Å
756	Y	97.5	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-47.1	174.9	174.2	-107	0	0	0	112.7	L731 L735 V752 M753 E754 S759 C760 L782 G786 L788 M814 M818	L731-Y756 WeakPolarHBondContact CD1-OH 3.19Å; L735-Y756 HydrophobicContact CD1-CD1 4.12Å; L735-Y756 HydrophobicContact CD1-CD2 4.36Å; L735-Y756 HydrophobicContact CD1-CG 4Å; V752-Y756 PolarHBondContact O-N 3.46Å; M753-Y756 PolarHBondContact O-N 3.16Å; M753-Y756 HydrophobicContact SD-CD1 4.18Å; E754-Y756 VanDerWaalsContact C-N 3.33Å; E754-Y756 PolarHBondContact O-N 2.99Å; Y756-S759 PolarHBondContact O-OG 3.3Å; Y756-C760 WeakPolarHBondContact O-CB 3.42Å; Y756-C760 PolarHBondContact O-N 3.3Å; Y756-L782 HydrophobicContact CD2-CD1 3.85Å; Y756-L782 HydrophobicContact CE2-CD1 4.34Å; Y756-G786 WeakPolarHBondContact CA-O 3.33Å; Y756-G786 WeakPolarHBondContact CB-O 3.13Å; Y756-G786 PolarHBondContact N-O 3.06Å; Y756-G786 VanDerWaalsContact N-O 3.17Å; Y756-L788 HydrophobicContact CD2-CB 4.34Å; Y756-L788 HydrophobicContact CD2-CD1 4.47Å; Y756-L788 HydrophobicContact CE2-CB 4.48Å; Y756-L788 HydrophobicContact CE2-CD1 3.81Å; Y756-M814 VanDerWaalsContact OH-CA 3.28Å; Y756-M814 WeakPolarHBondContact OH-CA 3.48Å; Y756-M814 PolarHBondContact OH-O 3.05Å; Y756-M818 HydrophobicContact CD1-CB 4.45Å; Y756-M818 HydrophobicContact CE1-CB 4.1Å; Y756-M818 HydrophobicContact CE1-CE 4.33Å
757	I	97.5	Very high	96	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-45.9	179.5	-67.3	161.9	0	0	0	111	M753 E754 A761 M818 Q825 F829 I832	M753-I757 HydrophobicContact CG-CD1 3.91Å; M753-I757 WeakPolarHBondContact O-CD1 3.34Å; M753-I757 VanDerWaalsContact O-CG1 3.25Å; M753-I757 WeakPolarHBondContact O-CG1 3.38Å; M753-I757 PolarHBondContact O-N 2.63Å; M753-I757 HydrophobicContact SD-CD1 4.19Å; M753-I757 HydrophobicContact SD-CG1 4.37Å; E754-I757 PolarHBondContact O-N 3.41Å; I757-A761 WeakPolarHBondContact O-CB 3.31Å; I757-A761 PolarHBondContact O-N 2.92Å; I757-M818 HydrophobicContact CD1-CB 4.48Å; I757-M818 HydrophobicContact CG1-CB 4.01Å; I757-Q825 HydrophobicContact CD1-CB 3.6Å; I757-Q825 HydrophobicContact CD1-CG 3.74Å; I757-F829 HydrophobicContact CG2-CB 3.96Å; I757-I832 HydrophobicContact CG2-CD1 3.85Å
758	R	98.1	Very high	96.2	Very high	43 Å²	43	24 Å²	24	16%	0.162	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-49	-178.6	-73.4	-173.6	-175.7	-52	-8.4	112.3	D696 L697 R698 E754 T755 A761 G762 I832	D696-R758 WeakPolarHBondContact O-CD 3.35Å; L697-R758 CarbonylContact O-C 3.19Å; L697-R758 WeakPolarHBondContact O-CB 3.14Å; R698-R758 HydrophobicContact CB-CB 4.42Å; R698-R758 HydrophobicContact CG-CB 4.26Å; E754-R758 HydrophobicContact CG-CG 4.29Å; E754-R758 WeakPolarHBondContact O-CB 3.23Å; E754-R758 VanDerWaalsContact O-CG 3.28Å; E754-R758 WeakPolarHBondContact O-CG 3.43Å; E754-R758 PolarHBondContact O-N 3.41Å; E754-R758 IonicContact OE1-CZ 3.22Å; E754-R758 IonicContact OE1-NE 2.81Å; E754-R758 PolarHBondContact OE1-NE 2.9Å; E754-R758 IonicContact OE1-NH2 2.77Å; E754-R758 PolarHBondContact OE1-NH2 2.84Å; T755-R758 PolarHBondContact O-N 3.34Å; R758-A761 PolarHBondContact O-N 3.33Å; R758-G762 PolarHBondContact O-N 2.93Å; R758-I832 HydrophobicContact CG-CD1 3.91Å; R758-I832 VanDerWaalsContact NH1-CG1 3.34Å
759	S	98	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-41.8	179.2	59.7	0	0	0	0	111.2	L697 R698 T755 Y756 A761 G762 Y763 L788	L697-S759 VanDerWaalsContact O-CA 3.28Å; L697-S759 WeakPolarHBondContact O-CA 3.34Å; L697-S759 PolarHBondContact O-N 3.05Å; R698-S759 WeakPolarHBondContact O-CB 3.33Å; T755-S759 VanDerWaalsContact O-CB 3.25Å; T755-S759 WeakPolarHBondContact O-CB 3.34Å; T755-S759 PolarHBondContact O-N 3.38Å; T755-S759 PolarHBondContact O-OG 3.12Å; Y756-S759 PolarHBondContact O-OG 3.3Å; S759-A761 PolarHBondContact O-N 3.23Å; S759-G762 PolarHBondContact O-N 3.13Å; S759-Y763 WeakPolarHBondContact O-CD2 3.45Å; S759-Y763 PolarHBondContact O-N 2.93Å; S759-L788 WeakPolarHBondContact CB-O 3.44Å; S759-L788 PolarHBondContact OG-N 3.29Å
760	C	97.3	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-46.1	173.7	-174.3	0	0	0	0	112.4	Y756 C764 L788 M814 F829	Y756-C760 WeakPolarHBondContact O-CB 3.42Å; Y756-C760 PolarHBondContact O-N 3.3Å; C760-C764 PolarHBondContact O-N 3.28Å; C760-C764 VanDerWaalsContact O-N 3.1Å; C760-C764 PolarHBondContact O-SG 3.47Å; C760-L788 HydrophobicContact CB-CD1 4.46Å; C760-M814 WeakPolarHBondContact SG-CE 3.3Å; C760-F829 HydrophobicContact CB-CE2 4.28Å
761	A	97.3	Very high	96.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.6	-45.5	177.2	0	0	0	0	0	111.3	I757 R758 S759 C764 V765 F829 I832 T833	I757-A761 WeakPolarHBondContact O-CB 3.31Å; I757-A761 PolarHBondContact O-N 2.92Å; R758-A761 PolarHBondContact O-N 3.33Å; S759-A761 PolarHBondContact O-N 3.23Å; A761-C764 WeakPolarHBondContact O-CB 3.16Å; A761-C764 PolarHBondContact O-N 3.27Å; A761-V765 WeakPolarHBondContact O-CG2 3.44Å; A761-V765 PolarHBondContact O-N 3.3Å; A761-V765 VanDerWaalsContact O-N 3.12Å; A761-F829 VanDerWaalsContact CA-CE2 3.48Å; A761-F829 HydrophobicContact CB-CD2 3.83Å; A761-F829 HydrophobicContact CB-CE2 3.83Å; A761-I832 HydrophobicContact CB-CB 4.12Å; A761-I832 HydrophobicContact CB-CG2 3.6Å; A761-T833 WeakPolarHBondContact CB-OG1 3.26Å
762	G	97.3	Very high	96	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.4	-49.1	179.1	0	0	0	0	0	113.4	R758 S759 C764 V765 I766	R758-G762 PolarHBondContact O-N 2.93Å; S759-G762 PolarHBondContact O-N 3.13Å; G762-C764 VanDerWaalsContact C-N 3.3Å; G762-C764 PolarHBondContact O-N 2.89Å; G762-V765 PolarHBondContact O-N 3.06Å; G762-V765 VanDerWaalsContact O-N 3.17Å; G762-I766 WeakPolarHBondContact O-CB 3.47Å; G762-I766 WeakPolarHBondContact O-CD1 3.4Å; G762-I766 WeakPolarHBondContact O-CG1 3.49Å; G762-I766 PolarHBondContact O-N 2.83Å
763	Y	97.1	Very high	95.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.8	-28.6	177.3	-80.5	-80.4	0	0	0	113.1	I683 L699 T700 S759 T767 L788 F789 H790	I683-Y763 HydrophobicContact CD1-CE1 4.22Å; L699-Y763 HydrophobicContact CD2-CD2 3.89Å; L699-Y763 HydrophobicContact CD2-CE2 3.76Å; T700-Y763 PolarHBondContact N-OH 3.06Å; T700-Y763 PolarHBondContact O-OH 3.46Å; T700-Y763 VanDerWaalsContact O-OH 3.08Å; S759-Y763 WeakPolarHBondContact O-CD2 3.45Å; S759-Y763 PolarHBondContact O-N 2.93Å; Y763-T767 WeakPolarHBondContact O-CB 3.27Å; Y763-T767 WeakPolarHBondContact O-CG2 3.49Å; Y763-T767 PolarHBondContact O-N 3.46Å; Y763-T767 PolarHBondContact O-OG1 2.86Å; Y763-L788 WeakPolarHBondContact CD2-O 3.25Å; Y763-L788 WeakPolarHBondContact CE2-O 3.46Å; Y763-F789 HydrophobicContact CD2-CB 4.39Å; Y763-F789 HydrophobicContact CE1-CB 4.3Å; Y763-F789 VanDerWaalsContact CE2-CA 3.46Å; Y763-F789 HydrophobicContact CE2-CB 3.55Å; Y763-F789 WeakPolarHBondContact OH-CB 3.28Å; Y763-H790 HydrophobicContact CD1-CB 3.97Å; Y763-H790 AromaticContact CD1-CD2 4Å; Y763-H790 AromaticContact CD1-CG 3.87Å; Y763-H790 HydrophobicContact CE1-CB 4.22Å; Y763-H790 AromaticContact CG-CD2 3.97Å
764	C	95.8	Very high	95.2	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.02	4%	0.041	C	C	.	.	H	α-helix	trans	-62.1	-45.8	170.5	-71.6	0	0	0	0	111.6	C760 A761 G762 T767 Y768 V808 M894	C760-C764 PolarHBondContact O-N 3.28Å; C760-C764 VanDerWaalsContact O-N 3.1Å; C760-C764 PolarHBondContact O-SG 3.47Å; A761-C764 WeakPolarHBondContact O-CB 3.16Å; A761-C764 PolarHBondContact O-N 3.27Å; G762-C764 VanDerWaalsContact C-N 3.3Å; G762-C764 PolarHBondContact O-N 2.89Å; C764-T767 PolarHBondContact O-OG1 3.17Å; C764-Y768 WeakPolarHBondContact O-CB 3.29Å; C764-Y768 PolarHBondContact O-N 3.12Å; C764-V808 HydrophobicContact CB-CG1 3.87Å; C764-M894 HydrophobicContact CB-CE 3.75Å
765	V	96.8	Very high	95	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67.4	-45.4	177.8	176.4	0	0	0	0	111.4	A761 G762 Y768 L769 T833 A836 F837 L840 L890	A761-V765 WeakPolarHBondContact O-CG2 3.44Å; A761-V765 PolarHBondContact O-N 3.3Å; A761-V765 VanDerWaalsContact O-N 3.12Å; G762-V765 PolarHBondContact O-N 3.06Å; G762-V765 VanDerWaalsContact O-N 3.17Å; V765-Y768 WeakPolarHBondContact O-CB 3.33Å; V765-Y768 PolarHBondContact O-N 3.37Å; V765-L769 HydrophobicContact CG1-CD1 3.74Å; V765-L769 HydrophobicContact CG1-CG 4.22Å; V765-L769 WeakPolarHBondContact O-CB 3.48Å; V765-L769 VanDerWaalsContact O-CG 3.29Å; V765-L769 WeakPolarHBondContact O-CG 3.3Å; V765-L769 PolarHBondContact O-N 2.94Å; V765-T833 HydrophobicContact CG2-CG2 3.77Å; V765-T833 WeakPolarHBondContact CG2-O 3.5Å; V765-A836 HydrophobicContact CG2-CB 4.21Å; V765-F837 HydrophobicContact CG1-CB 3.98Å; V765-F837 HydrophobicContact CG1-CD2 4.3Å; V765-F837 HydrophobicContact CG2-CB 4.26Å; V765-L840 HydrophobicContact CG1-CD1 3.98Å; V765-L890 HydrophobicContact CG2-CD2 4.49Å
766	I	96	Very high	94.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-60.7	-48.8	-179.6	-70.9	164.5	0	0	0	111.2	I683 M686 L699 G762 Y768 L769 L770	I683-I766 HydrophobicContact CD1-CG2 3.98Å; I683-I766 HydrophobicContact CG1-CD1 4.43Å; I683-I766 HydrophobicContact CG1-CG2 3.65Å; I683-I766 HydrophobicContact CG2-CD1 4.1Å; M686-I766 HydrophobicContact SD-CB 4.41Å; M686-I766 HydrophobicContact SD-CG1 3.72Å; M686-I766 HydrophobicContact SD-CG2 4.4Å; L699-I766 HydrophobicContact CD1-CD1 3.69Å; L699-I766 HydrophobicContact CD2-CD1 3.7Å; L699-I766 HydrophobicContact CG-CD1 4.34Å; G762-I766 WeakPolarHBondContact O-CB 3.47Å; G762-I766 WeakPolarHBondContact O-CD1 3.4Å; G762-I766 WeakPolarHBondContact O-CG1 3.49Å; G762-I766 PolarHBondContact O-N 2.83Å; I766-Y768 VanDerWaalsContact C-N 3.31Å; I766-Y768 PolarHBondContact O-N 3.28Å; I766-L769 PolarHBondContact O-N 2.88Å; I766-L770 HydrophobicContact CG2-CD1 4.05Å; I766-L770 WeakPolarHBondContact O-CB 3.5Å; I766-L770 WeakPolarHBondContact O-CG 3.12Å; I766-L770 PolarHBondContact O-N 3.36Å
767	T	94.3	Very high	94.2	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-67	-34.2	-178.3	50.3	0	0	0	0	112.6	Y763 C764 G771 V772 H790	Y763-T767 WeakPolarHBondContact O-CB 3.27Å; Y763-T767 WeakPolarHBondContact O-CG2 3.49Å; Y763-T767 PolarHBondContact O-N 3.46Å; Y763-T767 PolarHBondContact O-OG1 2.86Å; C764-T767 PolarHBondContact O-OG1 3.17Å; T767-G771 WeakPolarHBondContact O-CA 3.47Å; T767-G771 PolarHBondContact O-N 3.12Å; T767-V772 HydrophobicContact CG2-CB 3.99Å; T767-V772 HydrophobicContact CG2-CG2 4.18Å; T767-V772 PolarHBondContact O-N 3.05Å; T767-H790 WeakPolarHBondContact CG2-ND1 3.36Å
768	Y	95	Very high	93.9	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-55.9	169.3	175.9	-110.2	0	0	0	111.3	C764 V765 I766 L770 G771 V808 F837 H876 R889 L890 R893	C764-Y768 WeakPolarHBondContact O-CB 3.29Å; C764-Y768 PolarHBondContact O-N 3.12Å; V765-Y768 WeakPolarHBondContact O-CB 3.33Å; V765-Y768 PolarHBondContact O-N 3.37Å; I766-Y768 VanDerWaalsContact C-N 3.31Å; I766-Y768 PolarHBondContact O-N 3.28Å; Y768-L770 VanDerWaalsContact C-N 3.34Å; Y768-L770 PolarHBondContact O-N 3.24Å; Y768-G771 PolarHBondContact O-N 3.36Å; Y768-V808 HydrophobicContact CD2-CG2 3.75Å; Y768-V808 HydrophobicContact CG-CG2 4.05Å; Y768-F837 HydrophobicContact CD1-CE2 4.28Å; Y768-F837 AromaticContact CE1-CE2 3.87Å; Y768-F837 HydrophobicContact CE1-CE2 3.87Å; Y768-F837 HydrophobicContact CE1-CZ 4.49Å; Y768-H876 HydrophobicContact CE1-CB 4.44Å; Y768-H876 WeakPolarHBondContact CE1-O 3.26Å; Y768-H876 AromaticContact CE2-CD2 3.83Å; Y768-H876 PolarHBondContact O-CD2 3.18Å; Y768-H876 PolarHBondContact OH-O 3.1Å; Y768-R889 PolarHBondContact OH-NE 3.46Å; Y768-L890 HydrophobicContact CD1-CD1 3.62Å; Y768-L890 HydrophobicContact CD2-CD1 4.23Å; Y768-L890 HydrophobicContact CE1-CD1 3.97Å; Y768-L890 HydrophobicContact CG-CD1 3.75Å; Y768-R893 HydrophobicContact CE2-CB 4.3Å; Y768-R893 HydrophobicContact CE2-CG 4.15Å
769	L	95.4	Very high	93.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.7	-39.7	-174.6	-72.2	175.7	0	0	0	112.8	M686 V765 I766 F837 L840 L873 F877	M686-L769 HydrophobicContact CE-CB 4.49Å; M686-L769 HydrophobicContact CE-CD1 4.33Å; V765-L769 HydrophobicContact CG1-CD1 3.74Å; V765-L769 HydrophobicContact CG1-CG 4.22Å; V765-L769 WeakPolarHBondContact O-CB 3.48Å; V765-L769 VanDerWaalsContact O-CG 3.29Å; V765-L769 WeakPolarHBondContact O-CG 3.3Å; V765-L769 PolarHBondContact O-N 2.94Å; I766-L769 PolarHBondContact O-N 2.88Å; L769-F837 HydrophobicContact CD2-CD2 4.01Å; L769-F837 HydrophobicContact CD2-CE2 3.76Å; L769-L840 HydrophobicContact CD1-CB 3.98Å; L769-L840 HydrophobicContact CD1-CD1 3.72Å; L769-L873 VanDerWaalsContact O-CD2 3.28Å; L769-L873 WeakPolarHBondContact O-CD2 3.35Å; L769-F877 HydrophobicContact CB-CE2 4.2Å; L769-F877 HydrophobicContact CB-CZ 4.19Å; L769-F877 HydrophobicContact CD1-CD1 4.43Å; L769-F877 HydrophobicContact CD1-CE1 3.8Å; L769-F877 HydrophobicContact CD1-CZ 3.94Å; L769-F877 HydrophobicContact CD2-CB 4.5Å; L769-F877 HydrophobicContact CD2-CD1 3.68Å; L769-F877 HydrophobicContact CD2-CD2 4.01Å; L769-F877 HydrophobicContact CD2-CE1 3.84Å; L769-F877 HydrophobicContact CD2-CE2 4.12Å; L769-F877 HydrophobicContact CD2-CG 3.81Å; L769-F877 HydrophobicContact CD2-CZ 4.05Å; L769-F877 HydrophobicContact CG-CE1 4.33Å; L769-F877 HydrophobicContact CG-CZ 4.29Å
770	L	93.3	Very high	93.6	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-89.9	-5.3	-179	-60	-176.7	0	0	0	113.4	V679 M682 M686 I766 Y768 V772 L797 F851 L873	V679-L770 HydrophobicContact CG1-CD1 4.04Å; M682-L770 HydrophobicContact CB-CD1 4.23Å; M686-L770 HydrophobicContact CE-CD1 4.48Å; M686-L770 HydrophobicContact CE-CD2 3.93Å; M686-L770 HydrophobicContact CE-CG 4.16Å; I766-L770 HydrophobicContact CG2-CD1 4.05Å; I766-L770 WeakPolarHBondContact O-CB 3.5Å; I766-L770 WeakPolarHBondContact O-CG 3.12Å; I766-L770 PolarHBondContact O-N 3.36Å; Y768-L770 VanDerWaalsContact C-N 3.34Å; Y768-L770 PolarHBondContact O-N 3.24Å; L770-V772 HydrophobicContact CB-CG2 3.89Å; L770-L797 PolarHBondContact O-N 2.8Å; L770-F851 HydrophobicContact CD2-CE2 4.04Å; L770-F851 HydrophobicContact CD2-CZ 3.84Å; L770-L873 HydrophobicContact CD2-CD2 4.44Å
771	G	91.7	Very high	93.6	Very high	9 Å²	9	14 Å²	14	9%	0.093	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	44.3	-179.3	0	0	0	0	0	113.4	T767 Y768 G773 I796 L797 G798	T767-G771 WeakPolarHBondContact O-CA 3.47Å; T767-G771 PolarHBondContact O-N 3.12Å; Y768-G771 PolarHBondContact O-N 3.36Å; G771-G773 PolarHBondContact O-N 2.95Å; G771-I796 CarbonylContact O-C 3.51Å; G771-I796 VanDerWaalsContact O-C 3.28Å; G771-I796 WeakPolarHBondContact O-CA 3.28Å; G771-L797 PolarHBondContact O-N 2.76Å; G771-L797 VanDerWaalsContact O-N 3.11Å; G771-G798 PolarHBondContact O-N 3.15Å
772	V	91.8	Very high	93.6	Very high	7 Å²	7	14 Å²	14	4%	0.042	7%	0.071	C	C	.	.			trans	-76	114.6	-174.2	-174.6	0	0	0	0	110.2	T767 L770 R775 F793 F795 I796	T767-V772 HydrophobicContact CG2-CB 3.99Å; T767-V772 HydrophobicContact CG2-CG2 4.18Å; T767-V772 PolarHBondContact O-N 3.05Å; L770-V772 HydrophobicContact CB-CG2 3.89Å; V772-R775 WeakPolarHBondContact O-CG 3.43Å; V772-F793 HydrophobicContact CG1-CD1 3.66Å; V772-F793 HydrophobicContact CG1-CE1 4.21Å; V772-F793 HydrophobicContact CG2-CD1 4.18Å; V772-F795 WeakPolarHBondContact CA-O 3.5Å; V772-I796 HydrophobicContact CG2-CG2 4.42Å
773	G	87.9	Confident	93.6	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.031	7%	0.074	C	C	.	.			trans	-85.3	179.7	177.2	0	0	0	0	0	114.2	G771 R775 F795 A799 D800	G771-G773 PolarHBondContact O-N 2.95Å; G773-R775 VanDerWaalsContact O-CZ 3.25Å; G773-R775 PolarHBondContact O-N 3.4Å; G773-R775 VanDerWaalsContact O-N 3.13Å; G773-R775 PolarHBondContact O-NE 3.05Å; G773-R775 PolarHBondContact O-NH2 2.69Å; G773-F795 PolarHBondContact N-O 3.36Å; G773-A799 WeakPolarHBondContact CA-O 3.05Å; G773-D800 WeakPolarHBondContact CA-OD2 3.41Å
774	D	88.1	Confident	93.4	Very high	28 Å²	28	16.9 Å²	16.9	15%	0.15	9%	0.094	C	C	.	.			trans	51.7	34.1	-179.8	-157	25	0	0	0	114.3	H776 N779 F795 D800 P801 K802	D774-H776 PolarHBondContact O-CD2 3.25Å; D774-H776 PolarHBondContact O-N 3.18Å; D774-H776 VanDerWaalsContact O-N 3.12Å; D774-H776 IonicContact OD1-CD2 3.86Å; D774-H776 PolarHBondContact OD1-CD2 3.32Å; D774-H776 IonicContact OD2-CD2 3Å; D774-H776 IonicContact OD2-NE2 3.83Å; D774-N779 PolarHBondContact O-ND2 3.23Å; D774-F795 HydrophobicContact CB-CD2 3.71Å; D774-F795 HydrophobicContact CB-CE2 4.2Å; D774-D800 PolarHBondContact N-OD2 3.46Å; D774-P801 HydrophobicContact CB-CG 3.69Å; D774-K802 IonicContact OD1-NZ 2.89Å; D774-K802 PolarHBondContact OD1-NZ 3.38Å
775	R	90.6	Very high	93.4	Very high	14 Å²	14	20.7 Å²	20.7	5%	0.053	11%	0.114	C	C	.	.			trans	-71	111.3	173.9	-58.4	-55.7	80.8	-161.5	-0.3	107.2	V772 G773 I791 D792 R809	V772-R775 WeakPolarHBondContact O-CG 3.43Å; G773-R775 VanDerWaalsContact O-CZ 3.25Å; G773-R775 PolarHBondContact O-N 3.4Å; G773-R775 VanDerWaalsContact O-N 3.13Å; G773-R775 PolarHBondContact O-NE 3.05Å; G773-R775 PolarHBondContact O-NH2 2.69Å; R775-I791 PolarHBondContact NH1-O 3.15Å; R775-D792 PolarHBondContact NH1-O 2.84Å; R775-D792 PolarHBondContact NH2-O 3.1Å; R775-R809 VanDerWaalsContact C-CD 3.44Å; R775-R809 HydrophobicContact CB-CB 3.81Å; R775-R809 HydrophobicContact CB-CG 4.38Å; R775-R809 WeakPolarHBondContact O-CD 3.45Å; R775-R809 PolarHBondContact O-NE 2.77Å; R775-R809 PolarHBondContact O-NH1 2.78Å
776	H	88.4	Confident	93.4	Very high	36 Å²	36	20.7 Å²	20.7	17%	0.167	11%	0.114	C	C	.	.			trans	-133.9	162.1	171.6	58.8	84.9	0	0	0	111.2	D774 E778 N779 L780	D774-H776 PolarHBondContact O-CD2 3.25Å; D774-H776 PolarHBondContact O-N 3.18Å; D774-H776 VanDerWaalsContact O-N 3.12Å; D774-H776 IonicContact OD1-CD2 3.86Å; D774-H776 PolarHBondContact OD1-CD2 3.32Å; D774-H776 IonicContact OD2-CD2 3Å; D774-H776 IonicContact OD2-NE2 3.83Å; H776-E778 IonicContact CE1-OE2 3.96Å; H776-E778 WeakPolarHBondContact ND1-CB 3.49Å; H776-E778 PolarHBondContact ND1-N 3.22Å; H776-E778 IonicContact ND1-OE2 3.99Å; H776-E778 PolarHBondContact O-N 2.94Å; H776-N779 PolarHBondContact CD2-ND2 2.68Å; H776-N779 PolarHBondContact CE1-OD1 2.97Å; H776-N779 PolarHBondContact NE2-ND2 3.48Å; H776-N779 PolarHBondContact NE2-OD1 2.97Å; H776-N779 PolarHBondContact O-N 2.95Å; H776-L780 WeakPolarHBondContact O-CD1 3.45Å; H776-L780 PolarHBondContact O-N 3.4Å
777	M	91	Very high	93.5	Very high	27 Å²	27	22.4 Å²	22.4	13%	0.133	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.5	-170.1	-65.6	-66.8	98.1	0	0	115	L722 A723 L726 L780 R809 T811 M814	L722-M777 HydrophobicContact CB-CB 4.41Å; L722-M777 HydrophobicContact CB-SD 4.08Å; L722-M777 HydrophobicContact CD1-SD 4.21Å; L722-M777 PolarHBondContact N-O 3.23Å; A723-M777 HydrophobicContact CB-CB 3.85Å; A723-M777 PolarHBondContact N-O 3.5Å; L726-M777 HydrophobicContact CD1-CG 4.47Å; L726-M777 HydrophobicContact CD1-SD 4.08Å; M777-L780 HydrophobicContact CE-CD1 4.38Å; M777-L780 HydrophobicContact CE-CD2 3.87Å; M777-R809 HydrophobicContact CE-CG 4.31Å; M777-R809 VanDerWaalsContact CE-NE 3.29Å; M777-T811 HydrophobicContact CE-CG2 3.59Å; M777-T811 HydrophobicContact SD-CG2 4.36Å; M777-M814 HydrophobicContact CE-SD 4.47Å
778	E	91	Very high	93.7	Very high	126 Å²	126	22.4 Å²	22.4	59%	0.589	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-26.8	173.4	-50.7	176.6	161.3	0	0	112.5	A723 H776 L780	A723-E778 HydrophobicContact CB-CG 3.76Å; H776-E778 IonicContact CE1-OE2 3.96Å; H776-E778 WeakPolarHBondContact ND1-CB 3.49Å; H776-E778 PolarHBondContact ND1-N 3.22Å; H776-E778 IonicContact ND1-OE2 3.99Å; H776-E778 PolarHBondContact O-N 2.94Å; E778-L780 VanDerWaalsContact C-N 3.31Å
779	N	93.2	Very high	93.8	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.064	12%	0.122	C	C	.	.	S	Bend	trans	-87.7	0.7	176.9	-71.7	-3.6	0	0	0	113.2	D774 H776 H790 I791	D774-N779 PolarHBondContact O-ND2 3.23Å; H776-N779 PolarHBondContact CD2-ND2 2.68Å; H776-N779 PolarHBondContact CE1-OD1 2.97Å; H776-N779 PolarHBondContact NE2-ND2 3.48Å; H776-N779 PolarHBondContact NE2-OD1 2.97Å; H776-N779 PolarHBondContact O-N 2.95Å; N779-H790 WeakPolarHBondContact O-CA 3.29Å; N779-I791 HydrophobicContact CB-CG1 4.27Å; N779-I791 WeakPolarHBondContact O-CG1 3.16Å; N779-I791 PolarHBondContact O-N 3.06Å
780	L	95.9	Very high	93.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.8	174.2	-75.4	76.3	0	0	0	107.3	S721 L722 H776 M777 E778 M814	S721-L780 CarbonylContact C-O 3.53Å; S721-L780 WeakPolarHBondContact CA-O 3.21Å; L722-L780 HydrophobicContact CB-CB 4.43Å; L722-L780 HydrophobicContact CD1-CB 3.68Å; L722-L780 HydrophobicContact CD1-CD2 3.86Å; L722-L780 HydrophobicContact CD1-CG 4.45Å; L722-L780 HydrophobicContact CG-CB 3.76Å; L722-L780 WeakPolarHBondContact CG-O 3.35Å; L722-L780 PolarHBondContact N-O 2.99Å; H776-L780 WeakPolarHBondContact O-CD1 3.45Å; H776-L780 PolarHBondContact O-N 3.4Å; M777-L780 HydrophobicContact CE-CD1 4.38Å; M777-L780 HydrophobicContact CE-CD2 3.87Å; E778-L780 VanDerWaalsContact C-N 3.31Å; L780-M814 HydrophobicContact CD2-CE 4.28Å; L780-M814 HydrophobicContact CD2-SD 4.09Å
781	L	97.1	Very high	93.9	Very high	25 Å²	25	24.8 Å²	24.8	13%	0.131	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	150.2	-177.7	-55.3	-171.1	0	0	0	110.4	S719 I720 S721 L788 F789 I791	S719-L781 WeakPolarHBondContact OG-CD1 3.38Å; I720-L781 CarbonylContact O-C 3.58Å; I720-L781 WeakPolarHBondContact O-CA 3.47Å; S721-L781 VanDerWaalsContact CA-CD2 3.5Å; L781-L788 WeakPolarHBondContact O-CA 3.38Å; L781-F789 HydrophobicContact CB-CD1 4.24Å; L781-F789 HydrophobicContact CB-CD2 4.49Å; L781-F789 HydrophobicContact CB-CE1 3.7Å; L781-F789 HydrophobicContact CB-CE2 4.01Å; L781-F789 HydrophobicContact CB-CZ 3.59Å; L781-F789 HydrophobicContact CD1-CE2 3.84Å; L781-F789 HydrophobicContact CD1-CZ 3.73Å; L781-F789 HydrophobicContact CG-CE2 4.33Å; L781-F789 HydrophobicContact CG-CZ 4.23Å; L781-F789 PolarHBondContact N-O 2.92Å; L781-F789 PolarHBondContact O-N 3.06Å; L781-I791 HydrophobicContact CD1-CD1 4.02Å; L781-I791 HydrophobicContact CD1-CG1 4.31Å; L781-I791 HydrophobicContact CD1-CG2 3.69Å; L781-I791 HydrophobicContact CD2-CD1 4.4Å; L781-I791 HydrophobicContact CG-CD1 4.27Å; L781-I791 HydrophobicContact CG-CG1 4.26Å; L781-I791 HydrophobicContact CG-CG2 4.17Å
782	L	97.8	Very high	93.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.6	177.7	-176.1	62.8	0	0	0	110	S719 I720 L722 I725 Y734 L735 Y756 H787 L788	S719-L782 WeakPolarHBondContact CA-O 3.29Å; I720-L782 PolarHBondContact N-O 3.31Å; I720-L782 PolarHBondContact O-N 3.4Å; L722-L782 HydrophobicContact CD2-CB 3.78Å; L722-L782 HydrophobicContact CD2-CD2 4.35Å; I725-L782 HydrophobicContact CD1-CB 3.99Å; I725-L782 HydrophobicContact CD1-CD2 3.78Å; I725-L782 HydrophobicContact CD1-CG 4.44Å; Y734-L782 HydrophobicContact CD1-CD2 3.77Å; Y734-L782 HydrophobicContact CE1-CD2 3.87Å; Y734-L782 HydrophobicContact CE1-CG 4.23Å; L735-L782 HydrophobicContact CD2-CD2 4.12Å; L735-L782 HydrophobicContact CG-CD2 4.5Å; Y756-L782 HydrophobicContact CD2-CD1 3.85Å; Y756-L782 HydrophobicContact CE2-CD1 4.34Å; L782-H787 WeakPolarHBondContact CA-O 3.38Å; L782-L788 HydrophobicContact CD1-CB 4.24Å
783	T	97.2	Very high	93.9	Very high	8 Å²	8	26.4 Å²	26.4	5%	0.049	14%	0.14	C	C	.	.			trans	-82.2	165.1	172.8	65.6	0	0	0	0	111.3	V717 D785 G786 H787 F789	V717-T783 HydrophobicContact CG1-CG2 3.98Å; T783-D785 VanDerWaalsContact C-N 3.26Å; T783-D785 WeakPolarHBondContact CB-OD1 3.2Å; T783-D785 PolarHBondContact O-N 3.31Å; T783-D785 PolarHBondContact OG1-OD1 3.49Å; T783-G786 PolarHBondContact O-N 2.9Å; T783-G786 PolarHBondContact OG1-N 2.99Å; T783-H787 HydrophobicContact CG2-CB 4.06Å; T783-H787 PolarHBondContact N-O 2.64Å; T783-H787 WeakPolarHBondContact OG1-CA 3.39Å; T783-H787 WeakPolarHBondContact OG1-CB 3.47Å; T783-H787 PolarHBondContact OG1-N 3.21Å; T783-H787 PolarHBondContact OG1-O 3.19Å; T783-F789 HydrophobicContact CG2-CD1 4.31Å; T783-F789 HydrophobicContact CG2-CE1 3.78Å
784	A	94.2	Very high	93.7	Very high	51 Å²	51	28.8 Å²	28.8	42%	0.421	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	-179.4	0	0	0	0	0	113.7	K738	K738-A784 HydrophobicContact CD-CB 4.37Å; K738-A784 HydrophobicContact CG-CB 4.46Å
785	D	95.7	Very high	93.7	Very high	83 Å²	83	30.9 Å²	30.9	44%	0.444	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.5	176.8	60	-22	0	0	0	113.5	T783 H787	T783-D785 VanDerWaalsContact C-N 3.26Å; T783-D785 WeakPolarHBondContact CB-OD1 3.2Å; T783-D785 PolarHBondContact O-N 3.31Å; T783-D785 PolarHBondContact OG1-OD1 3.49Å; D785-H787 IonicContact OD1-CD2 3.4Å; D785-H787 IonicContact OD2-CD2 3.05Å; D785-H787 PolarHBondContact OD2-CD2 2.93Å; D785-H787 IonicContact OD2-NE2 3.69Å
786	G	96.5	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.			trans	98.3	4.4	166.5	0	0	0	0	0	115.8	T755 Y756 T783 L788	T755-G786 CarbonylContact C-O 3.46Å; Y756-G786 WeakPolarHBondContact CA-O 3.33Å; Y756-G786 WeakPolarHBondContact CB-O 3.13Å; Y756-G786 PolarHBondContact N-O 3.06Å; Y756-G786 VanDerWaalsContact N-O 3.17Å; T783-G786 PolarHBondContact O-N 2.9Å; T783-G786 PolarHBondContact OG1-N 2.99Å; G786-L788 PolarHBondContact O-N 3.48Å
787	H	98	Very high	93.6	Very high	37 Å²	37	29.8 Å²	29.8	17%	0.171	16%	0.161	C	C	.	.			trans	-70.5	114.3	173.3	-68.8	-93.6	0	0	0	110.5	R698 T755 L782 T783 D785	R698-H787 PolarHBondContact O-CE1 3.32Å; R698-H787 PolarHBondContact O-ND1 3.13Å; T755-H787 HydrophobicContact CG2-CB 4.41Å; L782-H787 WeakPolarHBondContact CA-O 3.38Å; T783-H787 HydrophobicContact CG2-CB 4.06Å; T783-H787 PolarHBondContact N-O 2.64Å; T783-H787 WeakPolarHBondContact OG1-CA 3.39Å; T783-H787 WeakPolarHBondContact OG1-CB 3.47Å; T783-H787 PolarHBondContact OG1-N 3.21Å; T783-H787 PolarHBondContact OG1-O 3.19Å; D785-H787 IonicContact OD1-CD2 3.4Å; D785-H787 IonicContact OD2-CD2 3.05Å; D785-H787 PolarHBondContact OD2-CD2 2.93Å; D785-H787 IonicContact OD2-NE2 3.69Å
788	L	97.9	Very high	93.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.9	167.1	-176.4	149.4	0	0	0	108.7	L722 Y756 S759 C760 Y763 L781 L782 G786 M814	L722-L788 HydrophobicContact CD1-CD1 4.08Å; Y756-L788 HydrophobicContact CD2-CB 4.34Å; Y756-L788 HydrophobicContact CD2-CD1 4.47Å; Y756-L788 HydrophobicContact CE2-CB 4.48Å; Y756-L788 HydrophobicContact CE2-CD1 3.81Å; S759-L788 WeakPolarHBondContact CB-O 3.44Å; S759-L788 PolarHBondContact OG-N 3.29Å; C760-L788 HydrophobicContact CB-CD1 4.46Å; Y763-L788 WeakPolarHBondContact CD2-O 3.25Å; Y763-L788 WeakPolarHBondContact CE2-O 3.46Å; L781-L788 WeakPolarHBondContact O-CA 3.38Å; L782-L788 HydrophobicContact CD1-CB 4.24Å; G786-L788 PolarHBondContact O-N 3.48Å; L788-M814 HydrophobicContact CD1-CE 4.19Å
789	F	97.7	Very high	93	Very high	3 Å²	3	27 Å²	27	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.3	177.2	67.7	-79.4	0	0	0	112	T700 Y702 V717 S719 Y763 L781 T783 I791	T700-F789 HydrophobicContact CG2-CG 4.5Å; Y702-F789 HydrophobicContact CD1-CD2 4.07Å; Y702-F789 HydrophobicContact CD1-CE2 4.25Å; Y702-F789 HydrophobicContact CE1-CD2 4.12Å; Y702-F789 HydrophobicContact CE1-CE2 4.39Å; V717-F789 HydrophobicContact CB-CE1 4.5Å; V717-F789 HydrophobicContact CB-CE2 4.4Å; V717-F789 HydrophobicContact CB-CZ 3.85Å; V717-F789 HydrophobicContact CG1-CE1 4.02Å; V717-F789 HydrophobicContact CG1-CZ 3.87Å; S719-F789 WeakPolarHBondContact OG-CZ 3.28Å; Y763-F789 HydrophobicContact CD2-CB 4.39Å; Y763-F789 HydrophobicContact CE1-CB 4.3Å; Y763-F789 VanDerWaalsContact CE2-CA 3.46Å; Y763-F789 HydrophobicContact CE2-CB 3.55Å; Y763-F789 WeakPolarHBondContact OH-CB 3.28Å; L781-F789 HydrophobicContact CB-CD1 4.24Å; L781-F789 HydrophobicContact CB-CD2 4.49Å; L781-F789 HydrophobicContact CB-CE1 3.7Å; L781-F789 HydrophobicContact CB-CE2 4.01Å; L781-F789 HydrophobicContact CB-CZ 3.59Å; L781-F789 HydrophobicContact CD1-CE2 3.84Å; L781-F789 HydrophobicContact CD1-CZ 3.73Å; L781-F789 HydrophobicContact CG-CE2 4.33Å; L781-F789 HydrophobicContact CG-CZ 4.23Å; L781-F789 PolarHBondContact N-O 2.92Å; L781-F789 PolarHBondContact O-N 3.06Å; T783-F789 HydrophobicContact CG2-CD1 4.31Å; T783-F789 HydrophobicContact CG2-CE1 3.78Å; F789-I791 HydrophobicContact CD2-CG2 4.1Å; F789-I791 HydrophobicContact CE2-CG2 3.78Å
790	H	96.4	Very high	92.5	Very high	3 Å²	3	29 Å²	29	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.9	-177.4	-68.7	-161.8	0	0	0	110.1	Y702 Y763 T767 N779 F793	Y702-H790 WeakPolarHBondContact CE1-O 3.17Å; Y763-H790 HydrophobicContact CD1-CB 3.97Å; Y763-H790 AromaticContact CD1-CD2 4Å; Y763-H790 AromaticContact CD1-CG 3.87Å; Y763-H790 HydrophobicContact CE1-CB 4.22Å; Y763-H790 AromaticContact CG-CD2 3.97Å; T767-H790 WeakPolarHBondContact CG2-ND1 3.36Å; N779-H790 WeakPolarHBondContact O-CA 3.29Å; H790-F793 HydrophobicContact CB-CE1 4.19Å; H790-F793 HydrophobicContact CB-CZ 4.11Å; H790-F793 WeakPolarHBondContact O-CZ 3.28Å
791	I	94.7	Very high	91.9	Very high	47 Å²	47	32.3 Å²	32.3	24%	0.241	20%	0.201	C	C	.	.			trans	-123	169.6	173	60.3	159.5	0	0	0	111.1	Y702 R775 N779 L781 F789	Y702-I791 HydrophobicContact CE1-CG2 4.02Å; Y702-I791 WeakPolarHBondContact OH-CA 3.48Å; R775-I791 PolarHBondContact NH1-O 3.15Å; N779-I791 HydrophobicContact CB-CG1 4.27Å; N779-I791 WeakPolarHBondContact O-CG1 3.16Å; N779-I791 PolarHBondContact O-N 3.06Å; L781-I791 HydrophobicContact CD1-CD1 4.02Å; L781-I791 HydrophobicContact CD1-CG1 4.31Å; L781-I791 HydrophobicContact CD1-CG2 3.69Å; L781-I791 HydrophobicContact CD2-CD1 4.4Å; L781-I791 HydrophobicContact CG-CD1 4.27Å; L781-I791 HydrophobicContact CG-CG1 4.26Å; L781-I791 HydrophobicContact CG-CG2 4.17Å; F789-I791 HydrophobicContact CD2-CG2 4.1Å; F789-I791 HydrophobicContact CE2-CG2 3.78Å
792	D	90.4	Very high	91.1	Very high	50 Å²	50	35.5 Å²	35.5	27%	0.267	21%	0.213	S	C	.	.			trans	59.3	92.3	176	-167.3	-17.7	0	0	0	112.6	R775 S794	R775-D792 PolarHBondContact NH1-O 2.84Å; R775-D792 PolarHBondContact NH2-O 3.1Å; D792-S794 WeakPolarHBondContact OD1-CB 3.46Å; D792-S794 PolarHBondContact OD1-N 3.25Å; D792-S794 PolarHBondContact OD1-OG 3.41Å
793	F	91.9	Very high	90	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.251	C	S	.	.			trans	-102.9	34.6	-177.3	-59.6	-78.2	0	0	0	112.4	Q675 D676 V679 L680 I683 Y702 V772 H790 F795 I796	Q675-F793 PolarHBondContact NE2-O 3.34Å; D676-F793 PolarHBondContact OD1-N 3Å; V679-F793 HydrophobicContact CB-CB 3.98Å; V679-F793 HydrophobicContact CB-CD1 4.4Å; V679-F793 HydrophobicContact CB-CD2 4.26Å; V679-F793 HydrophobicContact CB-CG 3.97Å; V679-F793 HydrophobicContact CG1-CB 3.99Å; V679-F793 HydrophobicContact CG1-CD1 3.48Å; V679-F793 VanDerWaalsContact CG1-CD1 3.48Å; V679-F793 HydrophobicContact CG1-CD2 3.91Å; V679-F793 HydrophobicContact CG1-CE1 3.86Å; V679-F793 HydrophobicContact CG1-CE2 4.24Å; V679-F793 HydrophobicContact CG1-CG 3.52Å; V679-F793 HydrophobicContact CG1-CZ 4.22Å; V679-F793 HydrophobicContact CG2-CB 3.94Å; V679-F793 HydrophobicContact CG2-CG 4.4Å; L680-F793 HydrophobicContact CD1-CE2 4.42Å; L680-F793 HydrophobicContact CD2-CE2 3.92Å; L680-F793 HydrophobicContact CG-CD2 4.37Å; L680-F793 HydrophobicContact CG-CE2 3.98Å; I683-F793 HydrophobicContact CD1-CE1 4.26Å; I683-F793 HydrophobicContact CD1-CE2 4.41Å; I683-F793 HydrophobicContact CD1-CZ 3.82Å; Y702-F793 WeakPolarHBondContact OH-CE2 3.39Å; V772-F793 HydrophobicContact CG1-CD1 3.66Å; V772-F793 HydrophobicContact CG1-CE1 4.21Å; V772-F793 HydrophobicContact CG2-CD1 4.18Å; H790-F793 HydrophobicContact CB-CE1 4.19Å; H790-F793 HydrophobicContact CB-CZ 4.11Å; H790-F793 WeakPolarHBondContact O-CZ 3.28Å; F793-F795 PolarHBondContact O-N 2.76Å; F793-F795 VanDerWaalsContact O-N 3.14Å; F793-I796 HydrophobicContact CB-CG2 4.47Å
794	S	84.4	Confident	88.8	Confident	54 Å²	54	50 Å²	50	38%	0.378	29%	0.294	S	S	.	.			trans	-61.9	-19.1	-178.4	-59.7	0	0	0	0	114.5	Q675 D792	Q675-S794 PolarHBondContact NE2-O 3.17Å; D792-S794 WeakPolarHBondContact OD1-CB 3.46Å; D792-S794 PolarHBondContact OD1-N 3.25Å; D792-S794 PolarHBondContact OD1-OG 3.41Å
795	F	87.1	Confident	87.9	Confident	71 Å²	71	49.2 Å²	49.2	31%	0.311	29%	0.287	S	S	.	.	S	Bend	trans	-126.3	118.9	176.5	-57.6	-83.8	0	0	0	110.7	V772 G773 D774 F793 A799 P801	V772-F795 WeakPolarHBondContact CA-O 3.5Å; G773-F795 PolarHBondContact N-O 3.36Å; D774-F795 HydrophobicContact CB-CD2 3.71Å; D774-F795 HydrophobicContact CB-CE2 4.2Å; F793-F795 PolarHBondContact O-N 2.76Å; F793-F795 VanDerWaalsContact O-N 3.14Å; F795-A799 HydrophobicContact CB-CB 4.38Å; F795-A799 WeakPolarHBondContact CB-O 3.46Å; F795-A799 HydrophobicContact CD1-CB 4.32Å; F795-P801 HydrophobicContact CD2-CG 4.21Å; F795-P801 HydrophobicContact CE2-CB 4.42Å; F795-P801 HydrophobicContact CE2-CG 3.86Å; F795-P801 HydrophobicContact CZ-CB 4.13Å; F795-P801 HydrophobicContact CZ-CG 4.07Å
796	I	89.6	Confident	87	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	29%	0.287	C	S	.	.			trans	-136	173.8	179.5	62.4	169.6	0	0	0	111.2	Q675 V679 G771 V772 F793 G798 A799 S861 F862	Q675-I796 HydrophobicContact CG-CD1 3.9Å; Q675-I796 HydrophobicContact CG-CG1 4.3Å; V679-I796 HydrophobicContact CG2-CD1 4.25Å; V679-I796 HydrophobicContact CG2-CG2 3.68Å; G771-I796 CarbonylContact O-C 3.51Å; G771-I796 VanDerWaalsContact O-C 3.28Å; G771-I796 WeakPolarHBondContact O-CA 3.28Å; V772-I796 HydrophobicContact CG2-CG2 4.42Å; F793-I796 HydrophobicContact CB-CG2 4.47Å; I796-G798 PolarHBondContact O-N 3.44Å; I796-A799 WeakPolarHBondContact O-CB 3.44Å; I796-A799 PolarHBondContact O-N 3.36Å; I796-S861 WeakPolarHBondContact CG1-OG 3.28Å; I796-F862 HydrophobicContact CD1-CE2 4.33Å
797	L	87.4	Confident	86.2	Confident	24 Å²	24	51.9 Å²	51.9	13%	0.126	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	35.7	176.2	-57	172.6	0	0	0	113	L770 G771 F851 F862 A869 F872 L873	L770-L797 PolarHBondContact O-N 2.8Å; G771-L797 PolarHBondContact O-N 2.76Å; G771-L797 VanDerWaalsContact O-N 3.11Å; L797-F851 HydrophobicContact CD1-CD1 4.46Å; L797-F851 HydrophobicContact CD1-CE1 4.42Å; L797-F851 HydrophobicContact CD2-CD1 4.3Å; L797-F851 HydrophobicContact CD2-CE1 4Å; L797-F851 HydrophobicContact CG-CE1 4.48Å; L797-F862 HydrophobicContact CD1-CE1 4.03Å; L797-F862 HydrophobicContact CD1-CZ 4.15Å; L797-A869 HydrophobicContact CD1-CB 3.63Å; L797-F872 HydrophobicContact CB-CD1 4.25Å; L797-F872 HydrophobicContact CB-CG 4.37Å; L797-F872 HydrophobicContact CD2-CD1 3.75Å; L797-F872 HydrophobicContact CD2-CE1 4.34Å; L797-F872 HydrophobicContact CD2-CG 4.43Å; L797-F872 WeakPolarHBondContact O-CD2 3.44Å; L797-F872 WeakPolarHBondContact O-CE2 3.49Å; L797-L873 HydrophobicContact CD2-CD2 3.97Å; L797-L873 HydrophobicContact CD2-CG 4.1Å
798	G	84.8	Confident	85.5	Confident	51 Å²	51	50.2 Å²	50.2	53%	0.526	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-2.4	175.6	0	0	0	0	0	115	G771 I796	G771-G798 PolarHBondContact O-N 3.15Å; I796-G798 PolarHBondContact O-N 3.44Å
799	A	84.7	Confident	84.9	Confident	44 Å²	44	53.5 Å²	53.5	36%	0.364	31%	0.307	S	S	.	.			trans	-67.3	134.2	168.8	0	0	0	0	0	110	G773 F795 I796	G773-A799 WeakPolarHBondContact CA-O 3.05Å; F795-A799 HydrophobicContact CB-CB 4.38Å; F795-A799 WeakPolarHBondContact CB-O 3.46Å; F795-A799 HydrophobicContact CD1-CB 4.32Å; I796-A799 WeakPolarHBondContact O-CB 3.44Å; I796-A799 PolarHBondContact O-N 3.36Å
800	D	84.3	Confident	84.5	Confident	53 Å²	53	53.4 Å²	53.4	28%	0.283	31%	0.307	S	S	.	.			trans	-147.7	135.1	172	-161.1	-61.9	0	0	0	109.7	G773 D774 K802 A805	G773-D800 WeakPolarHBondContact CA-OD2 3.41Å; D774-D800 PolarHBondContact N-OD2 3.46Å; D800-K802 PolarHBondContact O-N 3.3Å; D800-K802 WeakPolarHBondContact OD1-CA 3.39Å; D800-K802 WeakPolarHBondContact OD1-CB 3.28Å; D800-K802 PolarHBondContact OD1-N 3.39Å; D800-A805 HydrophobicContact CB-CB 4.24Å; D800-A805 VanDerWaalsContact CG-CB 3.5Å; D800-A805 WeakPolarHBondContact OD2-CB 3.49Å
801	P	83.3	Confident	84.1	Confident	69 Å²	69	54.6 Å²	54.6	45%	0.448	31%	0.314	S	S	.	.	S	Bend	trans	-67.1	-21	174.8	27.5	-35.8	0	0	0	113.3	D774 F795	D774-P801 HydrophobicContact CB-CG 3.69Å; F795-P801 HydrophobicContact CD2-CG 4.21Å; F795-P801 HydrophobicContact CE2-CB 4.42Å; F795-P801 HydrophobicContact CE2-CG 3.86Å; F795-P801 HydrophobicContact CZ-CB 4.13Å; F795-P801 HydrophobicContact CZ-CG 4.07Å
802	K	79.6	Confident	83.8	Confident	92 Å²	92	57 Å²	57	40%	0.4	32%	0.321	S	S	.	.	S	Bend	trans	-98.7	123.8	-179.4	-65.7	165.5	-180	119.3	0	110	D774 D800 M804 A805	D774-K802 IonicContact OD1-NZ 2.89Å; D774-K802 PolarHBondContact OD1-NZ 3.38Å; D800-K802 PolarHBondContact O-N 3.3Å; D800-K802 WeakPolarHBondContact OD1-CA 3.39Å; D800-K802 WeakPolarHBondContact OD1-CB 3.28Å; D800-K802 PolarHBondContact OD1-N 3.39Å; K802-M804 PolarHBondContact O-N 2.97Å; K802-A805 HydrophobicContact CB-CB 4.3Å; K802-A805 PolarHBondContact O-N 2.88Å
803	P	75.4	Confident	83.9	Confident	121 Å²	121	56 Å²	56	79%	0.786	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	139.4	176.2	27	-33.4	0	0	0	110.7	A805	P803-A805 PolarHBondContact O-N 3.38Å
804	M	72.1	Confident	84	Confident	193 Å²	193	56 Å²	56	95%	0.951	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.5	178.3	-53.5	-65.3	178.9	0	0	114.1	K802	K802-M804 PolarHBondContact O-N 2.97Å
805	A	75.1	Confident	84.5	Confident	34 Å²	34	53.5 Å²	53.5	28%	0.281	30%	0.301	S	S	.	.			trans	-60.2	140.8	171.1	0	0	0	0	0	110.5	D800 K802 P803	D800-A805 HydrophobicContact CB-CB 4.24Å; D800-A805 VanDerWaalsContact CG-CB 3.5Å; D800-A805 WeakPolarHBondContact OD2-CB 3.49Å; K802-A805 HydrophobicContact CB-CB 4.3Å; K802-A805 PolarHBondContact O-N 2.88Å; P803-A805 PolarHBondContact O-N 3.38Å
806	P	76.9	Confident	84.7	Confident	68 Å²	68	53.1 Å²	53.1	44%	0.442	30%	0.303	S	S	.	.			trans	-65.6	138.4	174.7	26.8	-32.5	0	0	0	110.6	V808 S897	P806-V808 PolarHBondContact O-N 3.29Å; P806-S897 WeakPolarHBondContact CB-OG 3.4Å
807	E	79	Confident	84.9	Confident	71 Å²	71	53 Å²	53	33%	0.332	30%	0.302	S	S	.	.	S	Bend	trans	-60.9	-28.9	-179.9	-67.5	176.3	-165.2	0	0	112.9	R893	E807-R893 IonicContact OE1-CZ 2.67Å; E807-R893 IonicContact OE1-NE 2.98Å; E807-R893 PolarHBondContact OE1-NE 3.32Å; E807-R893 VanDerWaalsContact OE1-NE 3.09Å; E807-R893 IonicContact OE1-NH2 4Å; E807-R893 WeakPolarHBondContact OE2-CD 3.27Å; E807-R893 WeakPolarHBondContact OE2-CG 3.39Å; E807-R893 IonicContact OE2-NE 2.85Å; E807-R893 PolarHBondContact OE2-NE 2.86Å; E807-R893 VanDerWaalsContact OE2-NE 3.14Å
808	V	83.7	Confident	85.2	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	30%	0.296	C	S	.	.	S	Bend	trans	-129.3	124.2	177.9	-170.5	0	0	0	0	110.3	C764 Y768 P806 L810 M894 S897	C764-V808 HydrophobicContact CB-CG1 3.87Å; Y768-V808 HydrophobicContact CD2-CG2 3.75Å; Y768-V808 HydrophobicContact CG-CG2 4.05Å; P806-V808 PolarHBondContact O-N 3.29Å; V808-L810 PolarHBondContact O-N 3.24Å; V808-M894 HydrophobicContact CB-CG 4.04Å; V808-M894 HydrophobicContact CG1-CG 3.95Å; V808-M894 HydrophobicContact CG2-CG 4.07Å; V808-S897 WeakPolarHBondContact O-CB 3.49Å; V808-S897 PolarHBondContact O-OG 3.43Å
809	R	84.3	Confident	85.5	Confident	70 Å²	70	51.1 Å²	51.1	26%	0.264	29%	0.288	S	S	.	.			trans	-90.9	82	-179.8	-169.8	161.2	-178.4	130.4	3.4	112.5	R775 M777 T811	R775-R809 VanDerWaalsContact C-CD 3.44Å; R775-R809 HydrophobicContact CB-CB 3.81Å; R775-R809 HydrophobicContact CB-CG 4.38Å; R775-R809 WeakPolarHBondContact O-CD 3.45Å; R775-R809 PolarHBondContact O-NE 2.77Å; R775-R809 PolarHBondContact O-NH1 2.78Å; M777-R809 HydrophobicContact CE-CG 4.31Å; M777-R809 VanDerWaalsContact CE-NE 3.29Å; R809-T811 HydrophobicContact CG-CG2 4.06Å
810	L	89.6	Confident	85.7	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	27%	0.274	C	S	.	.			trans	-104.2	111.3	166.2	-178.5	57.8	0	0	0	109.7	V808 M814 I815 F829 M894 I898	V808-L810 PolarHBondContact O-N 3.24Å; L810-M814 HydrophobicContact CD1-CB 4.14Å; L810-M814 HydrophobicContact CD1-CE 4.16Å; L810-I815 HydrophobicContact CD1-CG1 4.1Å; L810-I815 HydrophobicContact CG-CD1 4.28Å; L810-I815 HydrophobicContact CG-CG1 4.2Å; L810-F829 HydrophobicContact CD1-CZ 4.1Å; L810-F829 HydrophobicContact CD2-CE1 3.66Å; L810-F829 HydrophobicContact CD2-CZ 3.78Å; L810-M894 HydrophobicContact CD2-CE 3.85Å; L810-I898 HydrophobicContact CD2-CD1 3.8Å; L810-I898 HydrophobicContact CG-CD1 4.11Å
811	T	88.6	Confident	85.8	Confident	27 Å²	27	47.4 Å²	47.4	17%	0.166	27%	0.265	C	S	.	.			trans	-99.6	158.5	-176	67.9	0	0	0	0	112.6	M777 R809 A813 M814 I815	M777-T811 HydrophobicContact CE-CG2 3.59Å; M777-T811 HydrophobicContact SD-CG2 4.36Å; R809-T811 HydrophobicContact CG-CG2 4.06Å; T811-A813 PolarHBondContact O-N 3.01Å; T811-M814 HydrophobicContact CG2-SD 4.26Å; T811-M814 WeakPolarHBondContact O-CB 3.38Å; T811-M814 PolarHBondContact O-N 2.82Å; T811-M814 VanDerWaalsContact OG1-CG 3.31Å; T811-M814 WeakPolarHBondContact OG1-CG 3.37Å; T811-M814 PolarHBondContact OG1-N 3.18Å; T811-M814 PolarHBondContact OG1-SD 3.49Å; T811-M814 VanDerWaalsContact OG1-SD 3.41Å; T811-I815 WeakPolarHBondContact O-CG1 3.15Å; T811-I815 PolarHBondContact O-N 3.46Å; T811-I815 VanDerWaalsContact O-N 3.16Å
812	R	88.6	Confident	85.9	Confident	99 Å²	99	49.3 Å²	49.3	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-57.1	-38.6	174.4	-178.9	56.9	-170.2	-148.6	9.5	112.7	M814 I815 D816 P821	R812-M814 VanDerWaalsContact C-N 3.3Å; R812-M814 PolarHBondContact O-N 3.16Å; R812-I815 PolarHBondContact O-N 3.36Å; R812-D816 WeakPolarHBondContact CG-OD2 3.27Å; R812-D816 IonicContact CZ-OD1 3.13Å; R812-D816 IonicContact CZ-OD2 3.12Å; R812-D816 VanDerWaalsContact NE-CG 3.26Å; R812-D816 IonicContact NE-OD1 2.92Å; R812-D816 PolarHBondContact NE-OD1 2.94Å; R812-D816 IonicContact NE-OD2 3.27Å; R812-D816 PolarHBondContact NE-OD2 2.97Å; R812-D816 IonicContact NH2-OD1 2.81Å; R812-D816 PolarHBondContact NH2-OD1 2.96Å; R812-D816 IonicContact NH2-OD2 2.99Å; R812-D816 PolarHBondContact O-N 2.88Å; R812-P821 VanDerWaalsContact CZ-CD 3.47Å; R812-P821 VanDerWaalsContact NH1-CG 3.33Å
813	A	92.1	Very high	86.4	Confident	28 Å²	28	45.7 Å²	45.7	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-38.8	175.7	0	0	0	0	0	112.8	L726 T811 G817	L726-A813 HydrophobicContact CD1-CB 3.88Å; L726-A813 HydrophobicContact CD2-CB 3.87Å; T811-A813 PolarHBondContact O-N 3.01Å; A813-G817 PolarHBondContact O-N 3.37Å
814	M	94.3	Very high	87.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-41	176.1	-67.5	160.5	70.7	0	0	111.7	L722 L731 Y756 C760 M777 L780 L788 L810 T811 R812 G817 M818	L722-M814 HydrophobicContact CD1-CG 4.2Å; L731-M814 HydrophobicContact CD1-CG 4.25Å; Y756-M814 VanDerWaalsContact OH-CA 3.28Å; Y756-M814 WeakPolarHBondContact OH-CA 3.48Å; Y756-M814 PolarHBondContact OH-O 3.05Å; C760-M814 WeakPolarHBondContact SG-CE 3.3Å; M777-M814 HydrophobicContact CE-SD 4.47Å; L780-M814 HydrophobicContact CD2-CE 4.28Å; L780-M814 HydrophobicContact CD2-SD 4.09Å; L788-M814 HydrophobicContact CD1-CE 4.19Å; L810-M814 HydrophobicContact CD1-CB 4.14Å; L810-M814 HydrophobicContact CD1-CE 4.16Å; T811-M814 HydrophobicContact CG2-SD 4.26Å; T811-M814 WeakPolarHBondContact O-CB 3.38Å; T811-M814 PolarHBondContact O-N 2.82Å; T811-M814 VanDerWaalsContact OG1-CG 3.31Å; T811-M814 WeakPolarHBondContact OG1-CG 3.37Å; T811-M814 PolarHBondContact OG1-N 3.18Å; T811-M814 PolarHBondContact OG1-SD 3.49Å; T811-M814 VanDerWaalsContact OG1-SD 3.41Å; R812-M814 VanDerWaalsContact C-N 3.3Å; R812-M814 PolarHBondContact O-N 3.16Å; M814-G817 PolarHBondContact O-N 3.28Å; M814-M818 PolarHBondContact O-N 2.97Å
815	I	93.8	Very high	88.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-44.7	177.2	-60.6	169.2	0	0	0	110.9	L810 T811 R812 G817 M818 G819 G820 P821 F826 I898	L810-I815 HydrophobicContact CD1-CG1 4.1Å; L810-I815 HydrophobicContact CG-CD1 4.28Å; L810-I815 HydrophobicContact CG-CG1 4.2Å; T811-I815 WeakPolarHBondContact O-CG1 3.15Å; T811-I815 PolarHBondContact O-N 3.46Å; T811-I815 VanDerWaalsContact O-N 3.16Å; R812-I815 PolarHBondContact O-N 3.36Å; I815-G817 PolarHBondContact O-N 3.44Å; I815-M818 CarbonylContact O-C 3.59Å; I815-M818 WeakPolarHBondContact O-CG 3.47Å; I815-M818 PolarHBondContact O-N 3.4Å; I815-M818 VanDerWaalsContact O-N 3.1Å; I815-G819 PolarHBondContact O-N 3.25Å; I815-G820 WeakPolarHBondContact O-CA 3.37Å; I815-G820 PolarHBondContact O-N 3.01Å; I815-P821 HydrophobicContact CG2-CB 4.38Å; I815-F826 HydrophobicContact CB-CE2 4.48Å; I815-F826 HydrophobicContact CD1-CE2 4.13Å; I815-F826 HydrophobicContact CD1-CZ 4.28Å; I815-F826 HydrophobicContact CG1-CD2 4.41Å; I815-F826 HydrophobicContact CG1-CE2 3.84Å; I815-F826 HydrophobicContact CG1-CZ 4.47Å; I815-F826 HydrophobicContact CG2-CD2 3.9Å; I815-F826 HydrophobicContact CG2-CE2 3.96Å; I815-F826 HydrophobicContact CG2-CG 4.35Å; I815-F826 HydrophobicContact CG2-CZ 4.42Å; I815-I898 HydrophobicContact CD1-CD1 3.53Å; I815-I898 HydrophobicContact CD1-CG1 3.92Å; I815-I898 HydrophobicContact CD1-CG2 4.02Å
816	D	92.6	Very high	89.1	Confident	64 Å²	64	37.7 Å²	37.7	34%	0.342	21%	0.206	S	C	.	.	H	α-helix	trans	-65.6	-29.9	175.7	-68	-30.8	0	0	0	111.4	R812 M818 G819	R812-D816 WeakPolarHBondContact CG-OD2 3.27Å; R812-D816 IonicContact CZ-OD1 3.13Å; R812-D816 IonicContact CZ-OD2 3.12Å; R812-D816 VanDerWaalsContact NE-CG 3.26Å; R812-D816 IonicContact NE-OD1 2.92Å; R812-D816 PolarHBondContact NE-OD1 2.94Å; R812-D816 IonicContact NE-OD2 3.27Å; R812-D816 PolarHBondContact NE-OD2 2.97Å; R812-D816 IonicContact NH2-OD1 2.81Å; R812-D816 PolarHBondContact NH2-OD1 2.96Å; R812-D816 IonicContact NH2-OD2 2.99Å; R812-D816 PolarHBondContact O-N 2.88Å; D816-M818 PolarHBondContact O-N 2.86Å; D816-G819 PolarHBondContact O-N 3Å; D816-G819 VanDerWaalsContact O-N 3.07Å
817	G	92.9	Very high	89.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-30.1	170.7	0	0	0	0	0	114.4	A813 M814 I815	A813-G817 PolarHBondContact O-N 3.37Å; M814-G817 PolarHBondContact O-N 3.28Å; I815-G817 PolarHBondContact O-N 3.44Å
818	M	93.2	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	21.1	175.3	63.5	-176.6	82.3	0	0	113.2	M753 Y756 I757 M814 I815 D816 S823 Q825 F826 F829	M753-M818 HydrophobicContact SD-CB 4.49Å; Y756-M818 HydrophobicContact CD1-CB 4.45Å; Y756-M818 HydrophobicContact CE1-CB 4.1Å; Y756-M818 HydrophobicContact CE1-CE 4.33Å; I757-M818 HydrophobicContact CD1-CB 4.48Å; I757-M818 HydrophobicContact CG1-CB 4.01Å; M814-M818 PolarHBondContact O-N 2.97Å; I815-M818 CarbonylContact O-C 3.59Å; I815-M818 WeakPolarHBondContact O-CG 3.47Å; I815-M818 PolarHBondContact O-N 3.4Å; I815-M818 VanDerWaalsContact O-N 3.1Å; D816-M818 PolarHBondContact O-N 2.86Å; M818-S823 PolarHBondContact O-OG 2.93Å; M818-Q825 HydrophobicContact CB-CB 4.41Å; M818-Q825 VanDerWaalsContact O-CB 3.27Å; M818-Q825 WeakPolarHBondContact O-CB 3.42Å; M818-F826 HydrophobicContact CG-CD2 4.49Å; M818-F826 HydrophobicContact SD-CB 4.35Å; M818-F826 HydrophobicContact SD-CD2 3.68Å; M818-F829 HydrophobicContact CE-CD2 3.84Å; M818-F829 HydrophobicContact CE-CE2 4.27Å; M818-F829 HydrophobicContact CE-CG 4.22Å; M818-F829 HydrophobicContact SD-CB 3.78Å; M818-F829 HydrophobicContact SD-CD2 4.17Å; M818-F829 HydrophobicContact SD-CG 3.98Å
819	G	90.7	Very high	91	Very high	36 Å²	36	36.3 Å²	36.3	37%	0.371	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	6	175	0	0	0	0	0	115.7	I815 D816	I815-G819 PolarHBondContact O-N 3.25Å; D816-G819 PolarHBondContact O-N 3Å; D816-G819 VanDerWaalsContact O-N 3.07Å
820	G	89.8	Confident	91.5	Very high	6 Å²	6	33 Å²	33	6%	0.062	18%	0.182	C	C	.	.			trans	90.2	173.3	175.9	0	0	0	0	0	114.2	I815 N822 S823 F826	I815-G820 WeakPolarHBondContact O-CA 3.37Å; I815-G820 PolarHBondContact O-N 3.01Å; G820-N822 PolarHBondContact O-N 3.43Å; G820-N822 VanDerWaalsContact O-N 3.16Å; G820-S823 WeakPolarHBondContact O-CB 3.42Å; G820-S823 PolarHBondContact O-N 3.46Å; G820-S823 VanDerWaalsContact O-N 3.15Å; G820-S823 PolarHBondContact O-OG 2.9Å; G820-F826 WeakPolarHBondContact O-CB 3.4Å
821	P	86.2	Confident	91.8	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.5	-170.9	30.1	-40.2	0	0	0	113.9	R812 I815 F826 I901 I905 R908	R812-P821 VanDerWaalsContact CZ-CD 3.47Å; R812-P821 VanDerWaalsContact NH1-CG 3.33Å; I815-P821 HydrophobicContact CG2-CB 4.38Å; P821-F826 HydrophobicContact CB-CD1 4.43Å; P821-F826 HydrophobicContact CB-CE1 4.43Å; P821-F826 VanDerWaalsContact O-CD1 3.3Å; P821-F826 WeakPolarHBondContact O-CD1 3.41Å; P821-I901 HydrophobicContact CB-CG2 4Å; P821-I901 HydrophobicContact CG-CG2 4.15Å; P821-I905 HydrophobicContact CB-CD1 4.43Å; P821-R908 PolarHBondContact O-NH1 3.44Å
822	N	85.8	Confident	92.2	Very high	110 Å²	110	36 Å²	36	59%	0.588	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.8	-179.2	-69.2	-30.6	0	0	0	113.1	G820 R908	G820-N822 PolarHBondContact O-N 3.43Å; G820-N822 VanDerWaalsContact O-N 3.16Å; N822-R908 PolarHBondContact O-NH1 3.14Å; N822-R908 PolarHBondContact O-NH2 3.43Å
823	S	90.8	Very high	92.6	Very high	16 Å²	16	31.3 Å²	31.3	11%	0.112	18%	0.175	C	C	.	.	S	Bend	trans	-71	154.8	-175.9	78.3	0	0	0	0	112.4	M818 G820 Q825 F826 N827	M818-S823 PolarHBondContact O-OG 2.93Å; G820-S823 WeakPolarHBondContact O-CB 3.42Å; G820-S823 PolarHBondContact O-N 3.46Å; G820-S823 VanDerWaalsContact O-N 3.15Å; G820-S823 PolarHBondContact O-OG 2.9Å; S823-Q825 PolarHBondContact O-N 3.3Å; S823-Q825 PolarHBondContact OG-N 3.27Å; S823-F826 PolarHBondContact O-N 3.1Å; S823-F826 PolarHBondContact OG-N 3.19Å; S823-N827 PolarHBondContact O-N 3.06Å
824	N	91.9	Very high	92.8	Very high	129 Å²	129	30 Å²	30	69%	0.69	16%	0.164	S	C	*	.	H	α-helix	trans	-65.5	-29.7	170.9	-74.4	-23	0	0	0	111.3	N827 E828	N824-N827 WeakPolarHBondContact O-CB 3.38Å; N824-N827 PolarHBondContact O-N 2.96Å; N824-E828 PolarHBondContact O-N 3.28Å
825	Q	93.2	Very high	92.9	Very high	50 Å²	50	32.2 Å²	32.2	23%	0.234	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-35.8	177.8	-72.7	81.3	8	0	0	112.4	M746 I757 M818 S823 E828 F829	M746-Q825 HydrophobicContact CE-CB 4.32Å; M746-Q825 HydrophobicContact CE-CG 3.52Å; I757-Q825 HydrophobicContact CD1-CB 3.6Å; I757-Q825 HydrophobicContact CD1-CG 3.74Å; M818-Q825 HydrophobicContact CB-CB 4.41Å; M818-Q825 VanDerWaalsContact O-CB 3.27Å; M818-Q825 WeakPolarHBondContact O-CB 3.42Å; S823-Q825 PolarHBondContact O-N 3.3Å; S823-Q825 PolarHBondContact OG-N 3.27Å; Q825-E828 PolarHBondContact O-N 3.32Å; Q825-F829 PolarHBondContact O-N 3.18Å
826	F	92.2	Very high	93.1	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-70.2	-33.1	173	-172.8	-115.9	0	0	0	112.4	I815 M818 G820 P821 S823 E828 F829 W830 I905	I815-F826 HydrophobicContact CB-CE2 4.48Å; I815-F826 HydrophobicContact CD1-CE2 4.13Å; I815-F826 HydrophobicContact CD1-CZ 4.28Å; I815-F826 HydrophobicContact CG1-CD2 4.41Å; I815-F826 HydrophobicContact CG1-CE2 3.84Å; I815-F826 HydrophobicContact CG1-CZ 4.47Å; I815-F826 HydrophobicContact CG2-CD2 3.9Å; I815-F826 HydrophobicContact CG2-CE2 3.96Å; I815-F826 HydrophobicContact CG2-CG 4.35Å; I815-F826 HydrophobicContact CG2-CZ 4.42Å; M818-F826 HydrophobicContact CG-CD2 4.49Å; M818-F826 HydrophobicContact SD-CB 4.35Å; M818-F826 HydrophobicContact SD-CD2 3.68Å; G820-F826 WeakPolarHBondContact O-CB 3.4Å; P821-F826 HydrophobicContact CB-CD1 4.43Å; P821-F826 HydrophobicContact CB-CE1 4.43Å; P821-F826 VanDerWaalsContact O-CD1 3.3Å; P821-F826 WeakPolarHBondContact O-CD1 3.41Å; S823-F826 PolarHBondContact O-N 3.1Å; S823-F826 PolarHBondContact OG-N 3.19Å; F826-E828 VanDerWaalsContact C-N 3.33Å; F826-F829 HydrophobicContact CD2-CD1 4.23Å; F826-F829 HydrophobicContact CE2-CD1 4.05Å; F826-F829 HydrophobicContact CE2-CE1 4.46Å; F826-F829 WeakPolarHBondContact O-CB 3.41Å; F826-F829 PolarHBondContact O-N 3.16Å; F826-W830 AromaticContact CD1-NE1 3.92Å; F826-W830 AromaticContact CE1-CD1 3.87Å; F826-W830 AromaticContact CE1-NE1 3.21Å; F826-W830 AromaticContact CE2-NE1 3.83Å; F826-W830 AromaticContact CZ-CE2 3.94Å; F826-W830 HydrophobicContact CZ-CZ2 4.23Å; F826-W830 AromaticContact CZ-NE1 3.16Å; F826-W830 VanDerWaalsContact O-CD1 3.27Å; F826-W830 PolarHBondContact O-N 2.84Å; F826-I905 HydrophobicContact CE1-CD1 4.06Å; F826-I905 HydrophobicContact CE1-CG1 4.04Å; F826-I905 HydrophobicContact CE1-CG2 4.28Å; F826-I905 HydrophobicContact CZ-CD1 4.19Å
827	N	92.1	Very high	93.3	Very high	36 Å²	36	29.2 Å²	29.2	19%	0.193	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-39.6	170.7	-68	-18.9	0	0	0	111.4	S823 N824 W830 K831 R908	S823-N827 PolarHBondContact O-N 3.06Å; N824-N827 WeakPolarHBondContact O-CB 3.38Å; N824-N827 PolarHBondContact O-N 2.96Å; N827-W830 PolarHBondContact O-N 3.44Å; N827-K831 PolarHBondContact O-N 3.09Å; N827-R908 VanDerWaalsContact CG-NH1 3.32Å; N827-R908 PolarHBondContact ND2-NH1 3.33Å; N827-R908 VanDerWaalsContact ND2-NH1 3.12Å; N827-R908 WeakPolarHBondContact OD1-CD 3.48Å; N827-R908 PolarHBondContact OD1-NH1 3.45Å
828	E	93.7	Very high	93.5	Very high	75 Å²	75	30.2 Å²	30.2	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-65.6	-39.8	176	-170	60.4	-165.1	0	0	111.7	N824 Q825 F826 W830 K831 I832	N824-E828 PolarHBondContact O-N 3.28Å; Q825-E828 PolarHBondContact O-N 3.32Å; F826-E828 VanDerWaalsContact C-N 3.33Å; E828-W830 VanDerWaalsContact C-N 3.3Å; E828-W830 PolarHBondContact O-N 2.69Å; E828-K831 PolarHBondContact O-N 3.43Å; E828-I832 HydrophobicContact CG-CD1 3.81Å; E828-I832 HydrophobicContact CG-CG1 4.4Å; E828-I832 WeakPolarHBondContact O-CD1 3.18Å; E828-I832 VanDerWaalsContact O-CG1 3.26Å; E828-I832 WeakPolarHBondContact O-CG1 3.46Å; E828-I832 PolarHBondContact O-N 3.31Å
829	F	95.7	Very high	93.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-52.2	-46.5	171.9	169.6	-92.2	0	0	0	112.1	I757 C760 A761 L810 M818 Q825 F826 I832 T833 M894	I757-F829 HydrophobicContact CG2-CB 3.96Å; C760-F829 HydrophobicContact CB-CE2 4.28Å; A761-F829 VanDerWaalsContact CA-CE2 3.48Å; A761-F829 HydrophobicContact CB-CD2 3.83Å; A761-F829 HydrophobicContact CB-CE2 3.83Å; L810-F829 HydrophobicContact CD1-CZ 4.1Å; L810-F829 HydrophobicContact CD2-CE1 3.66Å; L810-F829 HydrophobicContact CD2-CZ 3.78Å; M818-F829 HydrophobicContact CE-CD2 3.84Å; M818-F829 HydrophobicContact CE-CE2 4.27Å; M818-F829 HydrophobicContact CE-CG 4.22Å; M818-F829 HydrophobicContact SD-CB 3.78Å; M818-F829 HydrophobicContact SD-CD2 4.17Å; M818-F829 HydrophobicContact SD-CG 3.98Å; Q825-F829 PolarHBondContact O-N 3.18Å; F826-F829 HydrophobicContact CD2-CD1 4.23Å; F826-F829 HydrophobicContact CE2-CD1 4.05Å; F826-F829 HydrophobicContact CE2-CE1 4.46Å; F826-F829 WeakPolarHBondContact O-CB 3.41Å; F826-F829 PolarHBondContact O-N 3.16Å; F829-I832 PolarHBondContact O-N 3.26Å; F829-T833 VanDerWaalsContact O-CB 3.28Å; F829-T833 WeakPolarHBondContact O-CB 3.27Å; F829-T833 PolarHBondContact O-N 3.46Å; F829-T833 PolarHBondContact O-OG1 3.29Å; F829-M894 HydrophobicContact CE1-CE 3.69Å; F829-M894 HydrophobicContact CZ-CE 3.59Å
830	W	94.3	Very high	93.9	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-43.6	178.3	-79.9	114.5	0	0	0	112.9	F826 N827 E828 I832 T833 F834 M894 T895 I905 I909 I912	F826-W830 AromaticContact CD1-NE1 3.92Å; F826-W830 AromaticContact CE1-CD1 3.87Å; F826-W830 AromaticContact CE1-NE1 3.21Å; F826-W830 AromaticContact CE2-NE1 3.83Å; F826-W830 AromaticContact CZ-CE2 3.94Å; F826-W830 HydrophobicContact CZ-CZ2 4.23Å; F826-W830 AromaticContact CZ-NE1 3.16Å; F826-W830 VanDerWaalsContact O-CD1 3.27Å; F826-W830 PolarHBondContact O-N 2.84Å; N827-W830 PolarHBondContact O-N 3.44Å; E828-W830 VanDerWaalsContact C-N 3.3Å; E828-W830 PolarHBondContact O-N 2.69Å; W830-I832 VanDerWaalsContact C-N 3.33Å; W830-I832 PolarHBondContact O-N 3.25Å; W830-T833 PolarHBondContact O-N 2.9Å; W830-F834 HydrophobicContact CB-CE2 4.28Å; W830-F834 HydrophobicContact CD2-CZ 4.17Å; W830-F834 HydrophobicContact CE3-CD1 4.42Å; W830-F834 AromaticContact CE3-CE1 3.54Å; W830-F834 HydrophobicContact CE3-CE1 3.54Å; W830-F834 HydrophobicContact CE3-CE2 4.04Å; W830-F834 AromaticContact CE3-CZ 3.3Å; W830-F834 HydrophobicContact CE3-CZ 3.3Å; W830-F834 AromaticContact CZ3-CE1 3.74Å; W830-F834 HydrophobicContact CZ3-CE1 3.74Å; W830-F834 AromaticContact CZ3-CZ 3.76Å; W830-F834 HydrophobicContact CZ3-CZ 3.76Å; W830-F834 VanDerWaalsContact O-CD2 3.31Å; W830-F834 WeakPolarHBondContact O-CD2 3.33Å; W830-F834 VanDerWaalsContact O-CG 3.32Å; W830-F834 WeakPolarHBondContact O-CG 3.38Å; W830-F834 PolarHBondContact O-N 3.05Å; W830-M894 HydrophobicContact CH2-CB 3.68Å; W830-M894 HydrophobicContact CH2-CE 4.34Å; W830-M894 HydrophobicContact CH2-SD 4.29Å; W830-M894 HydrophobicContact CZ3-CB 4.14Å; W830-M894 HydrophobicContact CZ3-CE 4.2Å; W830-M894 HydrophobicContact CZ3-SD 3.86Å; W830-T895 HydrophobicContact CH2-CG2 4.27Å; W830-T895 HydrophobicContact CZ2-CG2 4.27Å; W830-I905 HydrophobicContact CZ2-CG2 3.99Å; W830-I909 HydrophobicContact CD2-CD1 4.26Å; W830-I909 HydrophobicContact CD2-CG1 3.98Å; W830-I909 HydrophobicContact CE3-CD1 4.41Å; W830-I909 HydrophobicContact CE3-CG1 4.34Å; W830-I909 HydrophobicContact CG-CG1 4.39Å; W830-I909 HydrophobicContact CH2-CD1 3.71Å; W830-I909 HydrophobicContact CH2-CG1 4.46Å; W830-I909 HydrophobicContact CZ2-CD1 3.57Å; W830-I909 HydrophobicContact CZ2-CG1 4.15Å; W830-I909 HydrophobicContact CZ3-CD1 4.15Å; W830-I912 HydrophobicContact CB-CD1 3.62Å; W830-I912 HydrophobicContact CG-CD1 4.37Å
831	K	95.2	Very high	94.1	Very high	87 Å²	87	30.8 Å²	30.8	38%	0.378	16%	0.157	S	C	.	.	H	α-helix	trans	-57.9	-48.4	175.2	-69.6	178.2	-177.3	176.9	0	111	N827 E828 T833 F834 T835 I912	N827-K831 PolarHBondContact O-N 3.09Å; E828-K831 PolarHBondContact O-N 3.43Å; K831-T833 VanDerWaalsContact C-N 3.34Å; K831-T833 PolarHBondContact O-N 3.49Å; K831-F834 PolarHBondContact O-N 2.81Å; K831-T835 WeakPolarHBondContact O-CB 3.4Å; K831-T835 PolarHBondContact O-N 3.37Å; K831-T835 PolarHBondContact O-OG1 3.15Å; K831-I912 HydrophobicContact CG-CG2 3.97Å
832	I	97.3	Very high	94.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-45.5	179.8	-66.6	163.7	0	0	0	110.8	F695 L697 I757 R758 A761 E828 F829 W830 T835 A836	F695-I832 HydrophobicContact CE1-CG2 4.25Å; F695-I832 HydrophobicContact CZ-CB 4.38Å; F695-I832 HydrophobicContact CZ-CG2 3.91Å; L697-I832 HydrophobicContact CD2-CG2 3.33Å; I757-I832 HydrophobicContact CG2-CD1 3.85Å; R758-I832 HydrophobicContact CG-CD1 3.91Å; R758-I832 VanDerWaalsContact NH1-CG1 3.34Å; A761-I832 HydrophobicContact CB-CB 4.12Å; A761-I832 HydrophobicContact CB-CG2 3.6Å; E828-I832 HydrophobicContact CG-CD1 3.81Å; E828-I832 HydrophobicContact CG-CG1 4.4Å; E828-I832 WeakPolarHBondContact O-CD1 3.18Å; E828-I832 VanDerWaalsContact O-CG1 3.26Å; E828-I832 WeakPolarHBondContact O-CG1 3.46Å; E828-I832 PolarHBondContact O-N 3.31Å; F829-I832 PolarHBondContact O-N 3.26Å; W830-I832 VanDerWaalsContact C-N 3.33Å; W830-I832 PolarHBondContact O-N 3.25Å; I832-T835 PolarHBondContact O-N 3.27Å; I832-A836 VanDerWaalsContact O-CB 3.26Å; I832-A836 WeakPolarHBondContact O-CB 3.38Å; I832-A836 PolarHBondContact O-N 3.07Å
833	T	96.8	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-49.1	179.7	-62.5	0	0	0	0	111.4	A761 V765 F829 W830 K831 F837 L890 M894	A761-T833 WeakPolarHBondContact CB-OG1 3.26Å; V765-T833 HydrophobicContact CG2-CG2 3.77Å; V765-T833 WeakPolarHBondContact CG2-O 3.5Å; F829-T833 VanDerWaalsContact O-CB 3.28Å; F829-T833 WeakPolarHBondContact O-CB 3.27Å; F829-T833 PolarHBondContact O-N 3.46Å; F829-T833 PolarHBondContact O-OG1 3.29Å; W830-T833 PolarHBondContact O-N 2.9Å; K831-T833 VanDerWaalsContact C-N 3.34Å; K831-T833 PolarHBondContact O-N 3.49Å; T833-F837 WeakPolarHBondContact O-CB 3.28Å; T833-F837 PolarHBondContact O-N 3.1Å; T833-L890 HydrophobicContact CG2-CD2 4.08Å; T833-M894 HydrophobicContact CG2-CE 3.97Å; T833-M894 HydrophobicContact CG2-SD 3.6Å
834	F	96.2	Very high	94.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.5	-41.3	-178.3	-60	-31.9	0	0	0	112.7	W830 K831 A836 F837 L838 V887 L890 A891 I909 I912 V913 M916	W830-F834 HydrophobicContact CB-CE2 4.28Å; W830-F834 HydrophobicContact CD2-CZ 4.17Å; W830-F834 HydrophobicContact CE3-CD1 4.42Å; W830-F834 AromaticContact CE3-CE1 3.54Å; W830-F834 HydrophobicContact CE3-CE1 3.54Å; W830-F834 HydrophobicContact CE3-CE2 4.04Å; W830-F834 AromaticContact CE3-CZ 3.3Å; W830-F834 HydrophobicContact CE3-CZ 3.3Å; W830-F834 AromaticContact CZ3-CE1 3.74Å; W830-F834 HydrophobicContact CZ3-CE1 3.74Å; W830-F834 AromaticContact CZ3-CZ 3.76Å; W830-F834 HydrophobicContact CZ3-CZ 3.76Å; W830-F834 VanDerWaalsContact O-CD2 3.31Å; W830-F834 WeakPolarHBondContact O-CD2 3.33Å; W830-F834 VanDerWaalsContact O-CG 3.32Å; W830-F834 WeakPolarHBondContact O-CG 3.38Å; W830-F834 PolarHBondContact O-N 3.05Å; K831-F834 PolarHBondContact O-N 2.81Å; F834-A836 PolarHBondContact O-N 3.14Å; F834-F837 PolarHBondContact O-N 2.71Å; F834-L838 WeakPolarHBondContact O-CB 3.4Å; F834-L838 WeakPolarHBondContact O-CG 3.15Å; F834-L838 PolarHBondContact O-N 3.02Å; F834-V887 HydrophobicContact CB-CG1 4.33Å; F834-V887 HydrophobicContact CD1-CG1 3.65Å; F834-V887 HydrophobicContact CD2-CG1 3.96Å; F834-V887 HydrophobicContact CE1-CG1 3.81Å; F834-V887 HydrophobicContact CE2-CG1 4.12Å; F834-V887 HydrophobicContact CG-CG1 3.73Å; F834-V887 HydrophobicContact CZ-CG1 4.05Å; F834-L890 HydrophobicContact CD1-CD2 4.34Å; F834-A891 HydrophobicContact CE1-CB 4.07Å; F834-A891 HydrophobicContact CZ-CB 3.98Å; F834-I909 HydrophobicContact CE2-CG2 4.18Å; F834-I909 HydrophobicContact CZ-CG1 4.42Å; F834-I909 HydrophobicContact CZ-CG2 3.87Å; F834-I912 HydrophobicContact CD2-CG2 3.91Å; F834-I912 HydrophobicContact CE2-CG2 4.07Å; F834-V913 HydrophobicContact CE2-CG2 4.11Å; F834-M916 HydrophobicContact CB-CE 3.6Å; F834-M916 HydrophobicContact CB-SD 3.91Å; F834-M916 HydrophobicContact CD2-CE 3.69Å; F834-M916 HydrophobicContact CD2-SD 4.45Å; F834-M916 HydrophobicContact CG-CE 3.99Å
835	T	96.7	Very high	94.5	Very high	49 Å²	49	31.1 Å²	31.1	30%	0.301	14%	0.144	S	C	.	.	H	α-helix	trans	-60.6	-46.4	175.2	-60	0	0	0	0	111.1	F695 K831 I832 F837 L838 I839	F695-T835 HydrophobicContact CD2-CG2 4.03Å; F695-T835 HydrophobicContact CE1-CG2 4.35Å; F695-T835 HydrophobicContact CE2-CG2 3.63Å; F695-T835 HydrophobicContact CZ-CG2 3.8Å; K831-T835 WeakPolarHBondContact O-CB 3.4Å; K831-T835 PolarHBondContact O-N 3.37Å; K831-T835 PolarHBondContact O-OG1 3.15Å; I832-T835 PolarHBondContact O-N 3.27Å; T835-F837 PolarHBondContact O-N 3.29Å; T835-L838 PolarHBondContact O-N 3.33Å; T835-I839 HydrophobicContact CG2-CD1 3.84Å; T835-I839 HydrophobicContact CG2-CG1 4.49Å; T835-I839 VanDerWaalsContact O-CG1 3.31Å; T835-I839 WeakPolarHBondContact O-CG1 3.37Å; T835-I839 PolarHBondContact O-N 3.48Å
836	A	97.7	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.5	-49.4	175.6	0	0	0	0	0	111.9	L690 F695 L697 V765 I832 F834 L838 I839 L840	L690-A836 HydrophobicContact CD2-CB 4.42Å; F695-A836 HydrophobicContact CE1-CB 3.96Å; L697-A836 HydrophobicContact CD1-CB 3.62Å; L697-A836 HydrophobicContact CD2-CB 4.37Å; L697-A836 HydrophobicContact CG-CB 4.5Å; V765-A836 HydrophobicContact CG2-CB 4.21Å; I832-A836 VanDerWaalsContact O-CB 3.26Å; I832-A836 WeakPolarHBondContact O-CB 3.38Å; I832-A836 PolarHBondContact O-N 3.07Å; F834-A836 PolarHBondContact O-N 3.14Å; A836-L838 PolarHBondContact O-N 3.44Å; A836-I839 PolarHBondContact O-N 3.29Å; A836-L840 WeakPolarHBondContact O-CG 3.28Å; A836-L840 PolarHBondContact O-N 3.43Å
837	F	97.6	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-44.3	179.9	172.8	-108.3	0	0	0	112.3	V765 Y768 L769 T833 F834 T835 L840 R841 C878 A886 V887 L890	V765-F837 HydrophobicContact CG1-CB 3.98Å; V765-F837 HydrophobicContact CG1-CD2 4.3Å; V765-F837 HydrophobicContact CG2-CB 4.26Å; Y768-F837 HydrophobicContact CD1-CE2 4.28Å; Y768-F837 AromaticContact CE1-CE2 3.87Å; Y768-F837 HydrophobicContact CE1-CE2 3.87Å; Y768-F837 HydrophobicContact CE1-CZ 4.49Å; L769-F837 HydrophobicContact CD2-CD2 4.01Å; L769-F837 HydrophobicContact CD2-CE2 3.76Å; T833-F837 WeakPolarHBondContact O-CB 3.28Å; T833-F837 PolarHBondContact O-N 3.1Å; F834-F837 PolarHBondContact O-N 2.71Å; T835-F837 PolarHBondContact O-N 3.29Å; F837-L840 PolarHBondContact O-N 3.46Å; F837-R841 WeakPolarHBondContact O-CB 3.35Å; F837-R841 PolarHBondContact O-N 2.95Å; F837-C878 HydrophobicContact CZ-CB 4.49Å; F837-A886 HydrophobicContact CE1-CB 3.7Å; F837-A886 HydrophobicContact CZ-CB 4.07Å; F837-V887 HydrophobicContact CD1-CG2 4.43Å; F837-L890 HydrophobicContact CB-CD2 3.58Å; F837-L890 HydrophobicContact CD1-CD2 3.92Å; F837-L890 HydrophobicContact CD2-CD2 3.93Å; F837-L890 HydrophobicContact CG-CD2 3.54Å
838	L	96.3	Very high	94.3	Very high	22 Å²	22	27.7 Å²	27.7	12%	0.115	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-39.8	179.4	-72	175.2	0	0	0	112.5	F834 T835 A836 R841 R842 E883 V887	F834-L838 WeakPolarHBondContact O-CB 3.4Å; F834-L838 WeakPolarHBondContact O-CG 3.15Å; F834-L838 PolarHBondContact O-N 3.02Å; T835-L838 PolarHBondContact O-N 3.33Å; A836-L838 PolarHBondContact O-N 3.44Å; L838-R841 PolarHBondContact O-N 3.48Å; L838-R842 WeakPolarHBondContact O-CG 3.41Å; L838-R842 PolarHBondContact O-N 3.28Å; L838-E883 HydrophobicContact CD2-CB 3.93Å; L838-E883 HydrophobicContact CD2-CG 3.92Å; L838-V887 HydrophobicContact CD1-CG2 4.04Å; L838-V887 HydrophobicContact CD2-CG2 3.82Å; L838-V887 HydrophobicContact CG-CG2 3.95Å
839	I	96.3	Very high	94.1	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-54.2	174.5	-67.8	166.9	0	0	0	109.8	I689 L690 E693 F695 T835 A836 R841 R842 H843	I689-I839 HydrophobicContact CG2-CG2 4.24Å; L690-I839 HydrophobicContact CD2-CB 3.96Å; L690-I839 HydrophobicContact CD2-CD1 4.18Å; L690-I839 HydrophobicContact CD2-CG2 3.81Å; E693-I839 HydrophobicContact CB-CD1 4.27Å; E693-I839 HydrophobicContact CB-CG2 4.38Å; E693-I839 HydrophobicContact CG-CG2 3.96Å; F695-I839 HydrophobicContact CB-CD1 3.96Å; F695-I839 HydrophobicContact CD1-CD1 4.15Å; F695-I839 HydrophobicContact CG-CD1 3.99Å; T835-I839 HydrophobicContact CG2-CD1 3.84Å; T835-I839 HydrophobicContact CG2-CG1 4.49Å; T835-I839 VanDerWaalsContact O-CG1 3.31Å; T835-I839 WeakPolarHBondContact O-CG1 3.37Å; T835-I839 PolarHBondContact O-N 3.48Å; A836-I839 PolarHBondContact O-N 3.29Å; I839-R841 PolarHBondContact O-N 2.87Å; I839-R842 WeakPolarHBondContact O-CB 3.49Å; I839-R842 PolarHBondContact O-N 3.08Å; I839-R842 VanDerWaalsContact O-N 3.08Å; I839-H843 PolarHBondContact O-CD2 3.43Å
840	L	96.8	Very high	93.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-35.1	-179.8	-67.5	179.5	0	0	0	112.2	M686 I689 L690 V765 L769 A836 F837 R842 H843 A844 F847 F877	M686-L840 HydrophobicContact CB-CD1 4.35Å; M686-L840 HydrophobicContact CB-CD2 3.84Å; M686-L840 HydrophobicContact CG-CD1 4.12Å; M686-L840 HydrophobicContact CG-CD2 3.78Å; M686-L840 HydrophobicContact SD-CD1 4.06Å; I689-L840 HydrophobicContact CG2-CD2 4.41Å; L690-L840 HydrophobicContact CD1-CD1 4.41Å; L690-L840 HydrophobicContact CD1-CD2 4.18Å; L690-L840 HydrophobicContact CD1-CG 4.4Å; L690-L840 HydrophobicContact CD2-CD2 4.28Å; L690-L840 HydrophobicContact CD2-CG 4.2Å; L690-L840 HydrophobicContact CG-CD2 3.95Å; L690-L840 HydrophobicContact CG-CG 4.34Å; V765-L840 HydrophobicContact CG1-CD1 3.98Å; L769-L840 HydrophobicContact CD1-CB 3.98Å; L769-L840 HydrophobicContact CD1-CD1 3.72Å; A836-L840 WeakPolarHBondContact O-CG 3.28Å; A836-L840 PolarHBondContact O-N 3.43Å; F837-L840 PolarHBondContact O-N 3.46Å; L840-R842 VanDerWaalsContact C-N 3.29Å; L840-R842 PolarHBondContact O-N 2.93Å; L840-H843 CarbonylContact O-C 3.43Å; L840-H843 PolarHBondContact O-N 3.33Å; L840-A844 PolarHBondContact O-N 3.26Å; L840-F847 HydrophobicContact CD2-CE2 4.47Å; L840-F847 HydrophobicContact CD2-CZ 4.31Å; L840-F877 HydrophobicContact CB-CE1 4.45Å
841	R	94.5	Very high	93.7	Very high	39 Å²	39	24.5 Å²	24.5	15%	0.147	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-33.9	176	178.9	172.9	167.5	-76.3	-6.8	113.3	F837 L838 I839 H843 A844 F877 C878 Q881	F837-R841 WeakPolarHBondContact O-CB 3.35Å; F837-R841 PolarHBondContact O-N 2.95Å; L838-R841 PolarHBondContact O-N 3.48Å; I839-R841 PolarHBondContact O-N 2.87Å; R841-H843 PolarHBondContact O-N 3.01Å; R841-A844 WeakPolarHBondContact O-CB 3.25Å; R841-A844 PolarHBondContact O-N 2.87Å; R841-F877 WeakPolarHBondContact CD-O 3.3Å; R841-F877 VanDerWaalsContact CG-O 3.27Å; R841-F877 WeakPolarHBondContact CG-O 3.43Å; R841-F877 PolarHBondContact NE-O 2.93Å; R841-C878 PolarHBondContact NE-O 3.38Å; R841-Q881 PolarHBondContact NH2-O 3.4Å
842	R	90.6	Very high	93.2	Very high	162 Å²	162	22 Å²	22	61%	0.611	11%	0.105	S	C	*	.	H	α-helix	trans	-65.3	-24.9	175	-67.6	171.9	-177.5	172.3	1.9	112.7	L838 I839 L840 E883	L838-R842 WeakPolarHBondContact O-CG 3.41Å; L838-R842 PolarHBondContact O-N 3.28Å; I839-R842 WeakPolarHBondContact O-CB 3.49Å; I839-R842 PolarHBondContact O-N 3.08Å; I839-R842 VanDerWaalsContact O-N 3.08Å; L840-R842 VanDerWaalsContact C-N 3.29Å; L840-R842 PolarHBondContact O-N 2.93Å; R842-E883 IonicContact NH2-OE1 3.78Å
843	H	92	Very high	92.7	Very high	46 Å²	46	21.8 Å²	21.8	21%	0.213	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	15.9	177.9	-63.1	-94.1	0	0	0	113.4	E371 I689 I839 L840 R841 N845 L846 F847	E371-H843 IonicContact OE1-ND1 3.96Å; I689-H843 HydrophobicContact CD1-CB 4.1Å; I689-H843 VanDerWaalsContact CG2-CD2 3.48Å; I689-H843 WeakPolarHBondContact CG2-CD2 3.37Å; I839-H843 PolarHBondContact O-CD2 3.43Å; L840-H843 CarbonylContact O-C 3.43Å; L840-H843 PolarHBondContact O-N 3.33Å; R841-H843 PolarHBondContact O-N 3.01Å; H843-N845 PolarHBondContact O-N 3.32Å; H843-N845 VanDerWaalsContact O-N 3.12Å; H843-L846 WeakPolarHBondContact O-CB 3.42Å; H843-L846 PolarHBondContact O-N 2.97Å; H843-F847 HydrophobicContact CB-CE2 4.2Å; H843-F847 WeakPolarHBondContact O-CD2 3.46Å
844	A	91.3	Very high	92.2	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-53.1	-37.9	-177.4	0	0	0	0	0	113.6	L840 R841 L846 F847 L848 F877 V879	L840-A844 PolarHBondContact O-N 3.26Å; R841-A844 WeakPolarHBondContact O-CB 3.25Å; R841-A844 PolarHBondContact O-N 2.87Å; A844-L846 VanDerWaalsContact C-N 3.27Å; A844-L846 PolarHBondContact O-N 3.35Å; A844-F847 PolarHBondContact O-N 2.88Å; A844-L848 VanDerWaalsContact O-CG 3.32Å; A844-L848 WeakPolarHBondContact O-CG 3.46Å; A844-L848 PolarHBondContact O-N 2.91Å; A844-F877 HydrophobicContact CB-CB 3.88Å; A844-F877 HydrophobicContact CB-CD1 3.62Å; A844-F877 HydrophobicContact CB-CE1 4.26Å; A844-F877 HydrophobicContact CB-CG 3.79Å; A844-V879 HydrophobicContact CB-CG2 3.96Å
845	N	87.4	Confident	91.2	Very high	63 Å²	63	22.9 Å²	22.9	34%	0.337	11%	0.112	S	C	.	.	H	α-helix	trans	-61.2	-32.8	179.2	-76	-23.1	0	0	0	113.3	H843 T849	H843-N845 PolarHBondContact O-N 3.32Å; H843-N845 VanDerWaalsContact O-N 3.12Å; N845-T849 VanDerWaalsContact O-CB 3.31Å; N845-T849 WeakPolarHBondContact O-CB 3.02Å; N845-T849 PolarHBondContact O-N 2.84Å; N845-T849 PolarHBondContact O-OG1 3.41Å
846	L	91.6	Very high	90	Very high	10 Å²	10	23 Å²	23	5%	0.052	11%	0.111	C	C	.	.	H	α-helix	trans	-66.2	-49.6	176	176.1	55.5	0	0	0	110.6	E371 L374 Y405 L685 I689 H843 A844 L848 T849 L850	E371-L846 HydrophobicContact CB-CD1 4.03Å; E371-L846 HydrophobicContact CB-CD2 4.22Å; L374-L846 HydrophobicContact CD1-CD1 3.72Å; Y405-L846 HydrophobicContact CE1-CD1 4.1Å; Y405-L846 HydrophobicContact CE1-CD2 4.36Å; L685-L846 HydrophobicContact CD1-CD2 4.21Å; L685-L846 HydrophobicContact CD2-CD2 4.02Å; L685-L846 HydrophobicContact CD2-CG 4.19Å; L685-L846 HydrophobicContact CG-CD2 4.48Å; I689-L846 HydrophobicContact CD1-CD2 4.12Å; H843-L846 WeakPolarHBondContact O-CB 3.42Å; H843-L846 PolarHBondContact O-N 2.97Å; A844-L846 VanDerWaalsContact C-N 3.27Å; A844-L846 PolarHBondContact O-N 3.35Å; L846-L848 PolarHBondContact O-N 2.99Å; L846-T849 WeakPolarHBondContact O-CB 3.44Å; L846-T849 PolarHBondContact O-N 3.5Å; L846-T849 VanDerWaalsContact O-N 3.17Å; L846-L850 HydrophobicContact CD1-CD1 3.99Å; L846-L850 HydrophobicContact CD1-CG 4.12Å; L846-L850 HydrophobicContact CG-CD1 4.11Å; L846-L850 WeakPolarHBondContact O-CG 3.47Å; L846-L850 PolarHBondContact O-N 2.94Å
847	F	92.6	Very high	88.9	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-44.5	177	-60.9	-73.3	0	0	0	111.6	M682 L685 M686 I689 L840 H843 A844 T849 L850 F851 F877	M682-F847 HydrophobicContact SD-CD1 4.14Å; L685-F847 HydrophobicContact CD2-CD1 4.29Å; L685-F847 HydrophobicContact CD2-CE1 3.84Å; L685-F847 HydrophobicContact CD2-CZ 4.49Å; L685-F847 HydrophobicContact CG-CE1 4.14Å; L685-F847 HydrophobicContact CG-CZ 4.49Å; M686-F847 HydrophobicContact CB-CZ 4.46Å; M686-F847 HydrophobicContact CE-CD1 3.99Å; M686-F847 HydrophobicContact CE-CE1 3.67Å; M686-F847 HydrophobicContact CE-CE2 4.47Å; M686-F847 HydrophobicContact CE-CZ 3.94Å; M686-F847 HydrophobicContact CG-CE1 3.53Å; M686-F847 HydrophobicContact CG-CE2 4.45Å; M686-F847 HydrophobicContact CG-CZ 3.39Å; M686-F847 HydrophobicContact SD-CE1 4.45Å; I689-F847 HydrophobicContact CD1-CE2 4.13Å; I689-F847 HydrophobicContact CD1-CZ 3.73Å; L840-F847 HydrophobicContact CD2-CE2 4.47Å; L840-F847 HydrophobicContact CD2-CZ 4.31Å; H843-F847 HydrophobicContact CB-CE2 4.2Å; H843-F847 WeakPolarHBondContact O-CD2 3.46Å; A844-F847 PolarHBondContact O-N 2.88Å; F847-T849 VanDerWaalsContact C-N 3.27Å; F847-T849 PolarHBondContact O-N 3.49Å; F847-L850 PolarHBondContact O-N 3.28Å; F847-F851 VanDerWaalsContact O-CD2 3.28Å; F847-F851 WeakPolarHBondContact O-CD2 3.26Å; F847-F851 PolarHBondContact O-N 3.01Å; F847-F877 HydrophobicContact CB-CE2 4.19Å; F847-F877 HydrophobicContact CB-CZ 4.01Å; F847-F877 AromaticContact CD2-CE1 3.8Å; F847-F877 HydrophobicContact CD2-CE1 3.8Å; F847-F877 HydrophobicContact CD2-CE2 4.44Å; F847-F877 AromaticContact CD2-CZ 3.48Å; F847-F877 HydrophobicContact CD2-CZ 3.48Å; F847-F877 VanDerWaalsContact CD2-CZ 3.48Å; F847-F877 HydrophobicContact CE2-CE1 4.22Å; F847-F877 HydrophobicContact CE2-CZ 4.13Å; F847-F877 HydrophobicContact CG-CE2 4.46Å; F847-F877 AromaticContact CG-CZ 3.81Å; F847-F877 HydrophobicContact CG-CZ 3.81Å
848	L	89.7	Confident	87.6	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-57	-42.6	174.7	-70.8	171.7	0	0	0	112	P311 P312 A844 L846 S852 S870 L873 K874	P311-L848 HydrophobicContact CB-CD1 3.95Å; P312-L848 HydrophobicContact CG-CB 4.45Å; A844-L848 VanDerWaalsContact O-CG 3.32Å; A844-L848 WeakPolarHBondContact O-CG 3.46Å; A844-L848 PolarHBondContact O-N 2.91Å; L846-L848 PolarHBondContact O-N 2.99Å; L848-S852 WeakPolarHBondContact O-CB 3.31Å; L848-S852 PolarHBondContact O-N 3.35Å; L848-S870 WeakPolarHBondContact CD2-O 3.43Å; L848-L873 HydrophobicContact CD2-CB 3.55Å; L848-L873 HydrophobicContact CD2-CD1 4.28Å; L848-K874 HydrophobicContact CD1-CG 3.86Å; L848-K874 HydrophobicContact CD2-CG 3.87Å
849	T	89.5	Confident	86.6	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-49.4	177.3	-63.4	0	0	0	0	111.5	L374 E375 T378 N845 L846 F847 F851 S852 L853	L374-T849 HydrophobicContact CB-CG2 3.87Å; E375-T849 HydrophobicContact CB-CG2 4.18Å; T378-T849 HydrophobicContact CG2-CG2 4.37Å; N845-T849 VanDerWaalsContact O-CB 3.31Å; N845-T849 WeakPolarHBondContact O-CB 3.02Å; N845-T849 PolarHBondContact O-N 2.84Å; N845-T849 PolarHBondContact O-OG1 3.41Å; L846-T849 WeakPolarHBondContact O-CB 3.44Å; L846-T849 PolarHBondContact O-N 3.5Å; L846-T849 VanDerWaalsContact O-N 3.17Å; F847-T849 VanDerWaalsContact C-N 3.27Å; F847-T849 PolarHBondContact O-N 3.49Å; T849-F851 PolarHBondContact O-N 3.12Å; T849-S852 WeakPolarHBondContact O-CB 3.45Å; T849-S852 PolarHBondContact O-N 3.42Å; T849-S852 VanDerWaalsContact O-N 3.16Å; T849-S852 PolarHBondContact O-OG 3.45Å; T849-L853 PolarHBondContact O-N 2.9Å
850	L	91.9	Very high	85.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-43.1	-178.9	-66.7	171.8	0	0	0	111.9	L374 Y405 Q408 M682 L685 L846 F847 S852 L853 M854	L374-L850 HydrophobicContact CD1-CD2 4.1Å; Y405-L850 HydrophobicContact CD1-CD1 3.91Å; Y405-L850 HydrophobicContact CD1-CD2 3.67Å; Y405-L850 HydrophobicContact CD1-CG 4.42Å; Y405-L850 HydrophobicContact CE1-CD1 4Å; Y405-L850 HydrophobicContact CE1-CD2 4.43Å; Y405-L850 HydrophobicContact CG-CD2 4.36Å; Q408-L850 HydrophobicContact CB-CD2 4.04Å; Q408-L850 HydrophobicContact CG-CB 4.16Å; Q408-L850 HydrophobicContact CG-CD2 3.77Å; M682-L850 HydrophobicContact CE-CB 4.23Å; M682-L850 HydrophobicContact CE-CD1 4Å; M682-L850 HydrophobicContact SD-CB 4.3Å; M682-L850 HydrophobicContact SD-CD1 4.13Å; L685-L850 HydrophobicContact CD2-CD1 3.28Å; L846-L850 HydrophobicContact CD1-CD1 3.99Å; L846-L850 HydrophobicContact CD1-CG 4.12Å; L846-L850 HydrophobicContact CG-CD1 4.11Å; L846-L850 WeakPolarHBondContact O-CG 3.47Å; L846-L850 PolarHBondContact O-N 2.94Å; F847-L850 PolarHBondContact O-N 3.28Å; L850-S852 VanDerWaalsContact C-N 3.34Å; L850-S852 PolarHBondContact O-N 3.4Å; L850-L853 PolarHBondContact O-N 2.91Å; L850-M854 WeakPolarHBondContact O-CG 3.48Å; L850-M854 PolarHBondContact O-N 2.87Å
851	F	89.3	Confident	83.7	Confident	5 Å²	5	31.3 Å²	31.3	2%	0.022	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-34.5	175.1	-85	-104.3	0	0	0	112.3	L678 M682 L770 L797 F847 T849 L853 M854 S855 F862 L873	L678-F851 HydrophobicContact CD2-CE1 4.43Å; M682-F851 HydrophobicContact CG-CE2 3.57Å; M682-F851 HydrophobicContact CG-CZ 3.98Å; M682-F851 HydrophobicContact SD-CD2 4.11Å; M682-F851 HydrophobicContact SD-CE2 3.62Å; L770-F851 HydrophobicContact CD2-CE2 4.04Å; L770-F851 HydrophobicContact CD2-CZ 3.84Å; L797-F851 HydrophobicContact CD1-CD1 4.46Å; L797-F851 HydrophobicContact CD1-CE1 4.42Å; L797-F851 HydrophobicContact CD2-CD1 4.3Å; L797-F851 HydrophobicContact CD2-CE1 4Å; L797-F851 HydrophobicContact CG-CE1 4.48Å; F847-F851 VanDerWaalsContact O-CD2 3.28Å; F847-F851 WeakPolarHBondContact O-CD2 3.26Å; F847-F851 PolarHBondContact O-N 3.01Å; T849-F851 PolarHBondContact O-N 3.12Å; F851-L853 VanDerWaalsContact C-N 3.27Å; F851-L853 PolarHBondContact O-N 3.19Å; F851-M854 WeakPolarHBondContact O-CB 3.25Å; F851-M854 PolarHBondContact O-N 3.44Å; F851-S855 PolarHBondContact O-N 3.35Å; F851-F862 AromaticContact CD1-CE1 3.65Å; F851-F862 HydrophobicContact CD1-CE1 3.65Å; F851-F862 AromaticContact CD1-CZ 3.5Å; F851-F862 HydrophobicContact CD1-CZ 3.5Å; F851-F862 VanDerWaalsContact CD1-CZ 3.5Å; F851-F862 HydrophobicContact CE1-CE1 4.35Å; F851-F862 AromaticContact CE1-CZ 3.78Å; F851-F862 HydrophobicContact CE1-CZ 3.78Å; F851-L873 HydrophobicContact CB-CD1 3.76Å; F851-L873 HydrophobicContact CD1-CD1 3.87Å; F851-L873 HydrophobicContact CD2-CD1 3.65Å; F851-L873 HydrophobicContact CE1-CD1 4.4Å; F851-L873 HydrophobicContact CE2-CD1 4.16Å; F851-L873 HydrophobicContact CG-CD1 3.49Å; F851-L873 VanDerWaalsContact CG-CD1 3.49Å
852	S	85	Confident	82.4	Confident	34 Å²	34	30.1 Å²	30.1	24%	0.238	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-33.8	176.4	79.8	0	0	0	0	112.7	T378 L848 T849 L850 M854 S855	T378-S852 VanDerWaalsContact CG2-OG 3.22Å; T378-S852 WeakPolarHBondContact CG2-OG 3.48Å; L848-S852 WeakPolarHBondContact O-CB 3.31Å; L848-S852 PolarHBondContact O-N 3.35Å; T849-S852 WeakPolarHBondContact O-CB 3.45Å; T849-S852 PolarHBondContact O-N 3.42Å; T849-S852 VanDerWaalsContact O-N 3.16Å; T849-S852 PolarHBondContact O-OG 3.45Å; L850-S852 VanDerWaalsContact C-N 3.34Å; L850-S852 PolarHBondContact O-N 3.4Å; S852-M854 PolarHBondContact O-N 3.07Å; S852-S855 WeakPolarHBondContact O-CB 3.45Å; S852-S855 PolarHBondContact O-N 2.69Å; S852-S855 PolarHBondContact O-OG 2.89Å
853	L	87.1	Confident	80.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-23.7	175	-69.1	170.7	0	0	0	112.5	F377 T378 Q408 A412 Y415 T849 L850 F851	F377-L853 HydrophobicContact CB-CD2 4.32Å; T378-L853 HydrophobicContact CG2-CD2 3.82Å; T378-L853 HydrophobicContact CG2-CG 4.05Å; Q408-L853 HydrophobicContact CB-CB 4.1Å; Q408-L853 HydrophobicContact CB-CD1 3.83Å; Q408-L853 HydrophobicContact CG-CB 4.33Å; A412-L853 HydrophobicContact CB-CD2 4.14Å; Y415-L853 HydrophobicContact CE2-CD2 4.32Å; T849-L853 PolarHBondContact O-N 2.9Å; L850-L853 PolarHBondContact O-N 2.91Å; F851-L853 VanDerWaalsContact C-N 3.27Å; F851-L853 PolarHBondContact O-N 3.19Å
854	M	86.8	Confident	78.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-86.7	-8.8	-179.7	-64.3	-55.1	-61.2	0	0	114.4	Y407 Q408 Q411 L678 L850 F851 S852 N856 T857 I859 F862	Y407-M854 HydrophobicContact CD1-CE 3.81Å; Y407-M854 HydrophobicContact CD1-SD 4.06Å; Y407-M854 HydrophobicContact CE1-CE 3.27Å; Y407-M854 HydrophobicContact CE1-SD 4.1Å; Q408-M854 HydrophobicContact CG-CG 4.23Å; Q408-M854 HydrophobicContact CG-SD 4.04Å; Q411-M854 HydrophobicContact CG-CE 4.34Å; Q411-M854 HydrophobicContact CG-SD 3.78Å; L678-M854 HydrophobicContact CD1-CE 4.3Å; L678-M854 HydrophobicContact CD1-CG 3.77Å; L678-M854 HydrophobicContact CD1-SD 4.23Å; L678-M854 HydrophobicContact CD2-CB 4.33Å; L678-M854 HydrophobicContact CD2-CE 4.29Å; L678-M854 HydrophobicContact CD2-CG 4.01Å; L850-M854 WeakPolarHBondContact O-CG 3.48Å; L850-M854 PolarHBondContact O-N 2.87Å; F851-M854 WeakPolarHBondContact O-CB 3.25Å; F851-M854 PolarHBondContact O-N 3.44Å; S852-M854 PolarHBondContact O-N 3.07Å; M854-N856 VanDerWaalsContact C-N 3.27Å; M854-N856 PolarHBondContact O-N 3.36Å; M854-N856 VanDerWaalsContact O-N 3.13Å; M854-T857 HydrophobicContact CE-CG2 3.7Å; M854-T857 WeakPolarHBondContact O-CB 3.37Å; M854-T857 VanDerWaalsContact O-CG2 3.26Å; M854-T857 WeakPolarHBondContact O-CG2 3.42Å; M854-T857 PolarHBondContact O-N 3.45Å; M854-T857 PolarHBondContact O-OG1 2.94Å; M854-T857 HydrophobicContact SD-CG2 4.18Å; M854-I859 HydrophobicContact CE-CD1 3.62Å; M854-F862 HydrophobicContact CB-CE1 4.19Å; M854-F862 HydrophobicContact CB-CZ 4.13Å
855	S	75.2	Confident	76.7	Confident	23 Å²	23	34 Å²	34	16%	0.161	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.9	-172.4	55.3	0	0	0	0	115.7	F851 S852	F851-S855 PolarHBondContact O-N 3.35Å; S852-S855 WeakPolarHBondContact O-CB 3.45Å; S852-S855 PolarHBondContact O-N 2.69Å; S852-S855 PolarHBondContact O-OG 2.89Å
856	N	71.6	Confident	74.7	Confident	50 Å²	50	35.6 Å²	35.6	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	28.4	-175.8	-66	-40	0	0	0	113.4	R414 Y415 M854 Q866	R414-N856 PolarHBondContact NH1-O 3.28Å; Y415-N856 PolarHBondContact OH-ND2 3.13Å; M854-N856 VanDerWaalsContact C-N 3.27Å; M854-N856 PolarHBondContact O-N 3.36Å; M854-N856 VanDerWaalsContact O-N 3.13Å; N856-Q866 PolarHBondContact OD1-NE2 3.48Å
857	T	75	Confident	72.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-93.7	-5.5	-175.3	58.7	0	0	0	0	114.3	Q411 V538 R674 M854 I859	Q411-T857 HydrophobicContact CB-CG2 4.25Å; Q411-T857 VanDerWaalsContact CD-CG2 3.49Å; Q411-T857 HydrophobicContact CG-CG2 3.6Å; V538-T857 WeakPolarHBondContact CG1-O 3.34Å; R674-T857 PolarHBondContact NH1-O 3.24Å; M854-T857 HydrophobicContact CE-CG2 3.7Å; M854-T857 WeakPolarHBondContact O-CB 3.37Å; M854-T857 VanDerWaalsContact O-CG2 3.26Å; M854-T857 WeakPolarHBondContact O-CG2 3.42Å; M854-T857 PolarHBondContact O-N 3.45Å; M854-T857 PolarHBondContact O-OG1 2.94Å; M854-T857 HydrophobicContact SD-CG2 4.18Å; T857-I859 PolarHBondContact O-N 2.96Å; T857-I859 WeakPolarHBondContact OG1-CD1 3.28Å; T857-I859 WeakPolarHBondContact OG1-CG1 3.33Å
858	G	70.3	Confident	71.7	Confident	13 Å²	13	43.8 Å²	43.8	13%	0.134	25%	0.249	C	C	.	.			trans	70.1	13.4	-176.9	0	0	0	0	0	114.6	N863	G858-N863 VanDerWaalsContact CA-OD1 3.3Å; G858-N863 WeakPolarHBondContact CA-OD1 3.35Å; G858-N863 PolarHBondContact O-ND2 3.49Å
859	I	74.5	Confident	71.1	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	25%	0.253	C	S	.	.			trans	-69.8	133.1	171	-63.5	171.9	0	0	0	108.3	R674 Q675 M854 T857 S861 F862 N863	R674-I859 HydrophobicContact CB-CD1 3.87Å; R674-I859 HydrophobicContact CB-CG1 4.01Å; Q675-I859 HydrophobicContact CB-CG2 3.96Å; Q675-I859 HydrophobicContact CG-CG2 4.28Å; M854-I859 HydrophobicContact CE-CD1 3.62Å; T857-I859 PolarHBondContact O-N 2.96Å; T857-I859 WeakPolarHBondContact OG1-CD1 3.28Å; T857-I859 WeakPolarHBondContact OG1-CG1 3.33Å; I859-S861 VanDerWaalsContact C-N 3.33Å; I859-S861 PolarHBondContact O-N 3.27Å; I859-F862 HydrophobicContact CB-CD2 3.88Å; I859-F862 HydrophobicContact CG2-CD2 3.9Å; I859-F862 HydrophobicContact CG2-CE2 4.32Å; I859-F862 WeakPolarHBondContact O-CA 3.35Å; I859-F862 PolarHBondContact O-N 3.18Å; I859-N863 PolarHBondContact O-N 3.47Å
860	Q	69.9	Low	70.5	Confident	156 Å²	156	45.3 Å²	45.3	73%	0.729	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-51.6	-45.3	-169.5	-67.7	-178.2	-0.8	0	0	113.8	F862 N863	Q860-F862 PolarHBondContact O-N 3.35Å; Q860-F862 VanDerWaalsContact O-N 3.11Å; Q860-N863 PolarHBondContact O-N 3.44Å; Q860-N863 VanDerWaalsContact O-N 3.12Å
861	S	62.9	Low	70	Confident	40 Å²	40	50.5 Å²	50.5	28%	0.28	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-65.3	-12.3	178.7	-62.1	0	0	0	0	115.1	Q675 I796 I859	Q675-S861 PolarHBondContact NE2-OG 2.85Å; Q675-S861 PolarHBondContact OE1-OG 2.96Å; I796-S861 WeakPolarHBondContact CG1-OG 3.28Å; I859-S861 VanDerWaalsContact C-N 3.33Å; I859-S861 PolarHBondContact O-N 3.27Å
862	F	66.4	Low	69.9	Low	14 Å²	14	51.9 Å²	51.9	6%	0.061	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-105.3	-9.4	176.8	-64.2	-87.7	0	0	0	113	L678 I796 L797 F851 M854 I859 Q860 G864 A869	L678-F862 HydrophobicContact CD2-CE2 3.58Å; L678-F862 HydrophobicContact CD2-CZ 3.6Å; I796-F862 HydrophobicContact CD1-CE2 4.33Å; L797-F862 HydrophobicContact CD1-CE1 4.03Å; L797-F862 HydrophobicContact CD1-CZ 4.15Å; F851-F862 AromaticContact CD1-CE1 3.65Å; F851-F862 HydrophobicContact CD1-CE1 3.65Å; F851-F862 AromaticContact CD1-CZ 3.5Å; F851-F862 HydrophobicContact CD1-CZ 3.5Å; F851-F862 VanDerWaalsContact CD1-CZ 3.5Å; F851-F862 HydrophobicContact CE1-CE1 4.35Å; F851-F862 AromaticContact CE1-CZ 3.78Å; F851-F862 HydrophobicContact CE1-CZ 3.78Å; M854-F862 HydrophobicContact CB-CE1 4.19Å; M854-F862 HydrophobicContact CB-CZ 4.13Å; I859-F862 HydrophobicContact CB-CD2 3.88Å; I859-F862 HydrophobicContact CG2-CD2 3.9Å; I859-F862 HydrophobicContact CG2-CE2 4.32Å; I859-F862 WeakPolarHBondContact O-CA 3.35Å; I859-F862 PolarHBondContact O-N 3.18Å; Q860-F862 PolarHBondContact O-N 3.35Å; Q860-F862 VanDerWaalsContact O-N 3.11Å; F862-G864 PolarHBondContact O-N 2.87Å; F862-A869 HydrophobicContact CD1-CB 4.2Å; F862-A869 HydrophobicContact CE1-CB 4.09Å
863	N	54.9	Low	70.1	Confident	94 Å²	94	50.2 Å²	50.2	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	124.1	179.5	-71.6	-14.3	0	0	0	110.4	G858 I859 Q860	G858-N863 VanDerWaalsContact CA-OD1 3.3Å; G858-N863 WeakPolarHBondContact CA-OD1 3.35Å; G858-N863 PolarHBondContact O-ND2 3.49Å; I859-N863 PolarHBondContact O-N 3.47Å; Q860-N863 PolarHBondContact O-N 3.44Å; Q860-N863 VanDerWaalsContact O-N 3.12Å
864	G	50.7	Low	70.1	Confident	73 Å²	73	51.4 Å²	51.4	75%	0.753	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.4	-10.4	162.8	0	0	0	0	0	118	F862	F862-G864 PolarHBondContact O-N 2.87Å
865	Q	48.2	Very low	70.2	Confident	128 Å²	128	56 Å²	56	60%	0.598	31%	0.307	S	S	*	.			trans	-162.2	90	173.7	-102	149.6	46.6	0	0	111.3	N867 N868	Q865-N867 PolarHBondContact O-N 3.03Å; Q865-N867 VanDerWaalsContact O-N 3.09Å; Q865-N868 HydrophobicContact CB-CB 4.06Å; Q865-N868 VanDerWaalsContact CB-CG 3.48Å; Q865-N868 PolarHBondContact O-N 2.95Å; Q865-N868 PolarHBondContact OE1-ND2 2.86Å; Q865-N868 PolarHBondContact OE1-OD1 3.39Å
866	Q	45.2	Very low	71	Confident	96 Å²	96	55.4 Å²	55.4	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-53.5	-32.2	-178.8	-72.4	-179.2	-1.1	0	0	113.6	N856	N856-Q866 PolarHBondContact OD1-NE2 3.48Å
867	N	52.4	Low	72	Confident	106 Å²	106	53 Å²	53	57%	0.567	29%	0.288	S	S	*	.	H	α-helix	trans	-75.1	-28.1	-178.1	-68.5	-13.6	0	0	0	112.8	Q865 A869 S870 E871	Q865-N867 PolarHBondContact O-N 3.03Å; Q865-N867 VanDerWaalsContact O-N 3.09Å; N867-A869 PolarHBondContact O-N 2.99Å; N867-S870 PolarHBondContact O-N 2.95Å; N867-S870 PolarHBondContact O-OG 2.87Å; N867-E871 WeakPolarHBondContact O-CB 3.39Å; N867-E871 VanDerWaalsContact O-CG 3.31Å; N867-E871 WeakPolarHBondContact O-CG 3.31Å; N867-E871 PolarHBondContact O-N 3.42Å
868	N	68.5	Low	72.7	Confident	75 Å²	75	53.1 Å²	53.1	40%	0.401	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-44.2	-171.2	-75.9	17.9	0	0	0	113.4	Q865 S870 E871 F872	Q865-N868 HydrophobicContact CB-CB 4.06Å; Q865-N868 VanDerWaalsContact CB-CG 3.48Å; Q865-N868 PolarHBondContact O-N 2.95Å; Q865-N868 PolarHBondContact OE1-ND2 2.86Å; Q865-N868 PolarHBondContact OE1-OD1 3.39Å; N868-S870 VanDerWaalsContact C-N 3.33Å; N868-S870 PolarHBondContact O-N 3.41Å; N868-E871 PolarHBondContact O-N 2.92Å; N868-F872 WeakPolarHBondContact O-CB 3.34Å; N868-F872 PolarHBondContact O-N 3.26Å
869	A	77.9	Confident	73.4	Confident	14 Å²	14	54.1 Å²	54.1	12%	0.116	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-43.9	-178.4	0	0	0	0	0	111.3	L797 F862 N867 L873	L797-A869 HydrophobicContact CD1-CB 3.63Å; F862-A869 HydrophobicContact CD1-CB 4.2Å; F862-A869 HydrophobicContact CE1-CB 4.09Å; N867-A869 PolarHBondContact O-N 2.99Å; A869-L873 WeakPolarHBondContact O-CG 3.38Å; A869-L873 PolarHBondContact O-N 2.84Å; A869-L873 VanDerWaalsContact O-N 3.08Å
870	S	78	Confident	73.7	Confident	27 Å²	27	60.7 Å²	60.7	19%	0.189	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-39.4	179.4	79.5	0	0	0	0	112.1	L848 N867 N868 K874	L848-S870 WeakPolarHBondContact CD2-O 3.43Å; N867-S870 PolarHBondContact O-N 2.95Å; N867-S870 PolarHBondContact O-OG 2.87Å; N868-S870 VanDerWaalsContact C-N 3.33Å; N868-S870 PolarHBondContact O-N 3.41Å; S870-K874 WeakPolarHBondContact O-CB 3.3Å; S870-K874 WeakPolarHBondContact O-CD 3.44Å; S870-K874 WeakPolarHBondContact O-CE 3.4Å; S870-K874 WeakPolarHBondContact O-CG 3.25Å; S870-K874 PolarHBondContact O-N 3.28Å
871	E	79.7	Confident	74.4	Confident	109 Å²	109	56.6 Å²	56.6	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-68.8	-43.3	177.2	-74.5	176.9	-174.5	0	0	111.5	N867 N868 L873 K874 E875	N867-E871 WeakPolarHBondContact O-CB 3.39Å; N867-E871 VanDerWaalsContact O-CG 3.31Å; N867-E871 WeakPolarHBondContact O-CG 3.31Å; N867-E871 PolarHBondContact O-N 3.42Å; N868-E871 PolarHBondContact O-N 2.92Å; E871-L873 PolarHBondContact O-N 3.21Å; E871-K874 PolarHBondContact O-N 2.98Å; E871-E875 PolarHBondContact O-N 3.36Å
872	F	87.8	Confident	75.6	Confident	33 Å²	33	57.1 Å²	57.1	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-55.3	-53	175.8	-178.7	-85.1	0	0	0	111.1	L797 N868 K874 E875 H876	L797-F872 HydrophobicContact CB-CD1 4.25Å; L797-F872 HydrophobicContact CB-CG 4.37Å; L797-F872 HydrophobicContact CD2-CD1 3.75Å; L797-F872 HydrophobicContact CD2-CE1 4.34Å; L797-F872 HydrophobicContact CD2-CG 4.43Å; L797-F872 WeakPolarHBondContact O-CD2 3.44Å; L797-F872 WeakPolarHBondContact O-CE2 3.49Å; N868-F872 WeakPolarHBondContact O-CB 3.34Å; N868-F872 PolarHBondContact O-N 3.26Å; F872-K874 PolarHBondContact O-N 3.45Å; F872-E875 PolarHBondContact O-N 2.93Å; F872-H876 AromaticContact CD1-ND1 3.8Å; F872-H876 AromaticContact CD2-CE1 3.67Å; F872-H876 AromaticContact CD2-ND1 3.94Å; F872-H876 AromaticContact CE1-CE1 3.7Å; F872-H876 AromaticContact CE1-CG 3.77Å; F872-H876 AromaticContact CE1-ND1 3.52Å; F872-H876 AromaticContact CE2-CE1 3.11Å; F872-H876 WeakPolarHBondContact CE2-CE1 3.13Å; F872-H876 AromaticContact CE2-ND1 3.69Å; F872-H876 AromaticContact CE2-NE2 3.66Å; F872-H876 AromaticContact CG-ND1 3.97Å; F872-H876 AromaticContact CZ-CD2 3.77Å; F872-H876 AromaticContact CZ-CE1 3.09Å; F872-H876 WeakPolarHBondContact CZ-CE1 3.42Å; F872-H876 AromaticContact CZ-CG 3.86Å; F872-H876 AromaticContact CZ-ND1 3.45Å; F872-H876 WeakPolarHBondContact CZ-ND1 3.39Å; F872-H876 AromaticContact CZ-NE2 3.3Å; F872-H876 VanDerWaalsContact CZ-NE2 3.3Å; F872-H876 WeakPolarHBondContact CZ-NE2 3.45Å; F872-H876 PolarHBondContact O-N 3.41Å; F872-H876 PolarHBondContact O-ND1 2.88Å
873	L	89.3	Confident	76.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-42.5	179	-68.1	178	0	0	0	111.1	L769 L770 L797 L848 F851 A869 E871 E875 H876 F877	L769-L873 VanDerWaalsContact O-CD2 3.28Å; L769-L873 WeakPolarHBondContact O-CD2 3.35Å; L770-L873 HydrophobicContact CD2-CD2 4.44Å; L797-L873 HydrophobicContact CD2-CD2 3.97Å; L797-L873 HydrophobicContact CD2-CG 4.1Å; L848-L873 HydrophobicContact CD2-CB 3.55Å; L848-L873 HydrophobicContact CD2-CD1 4.28Å; F851-L873 HydrophobicContact CB-CD1 3.76Å; F851-L873 HydrophobicContact CD1-CD1 3.87Å; F851-L873 HydrophobicContact CD2-CD1 3.65Å; F851-L873 HydrophobicContact CE1-CD1 4.4Å; F851-L873 HydrophobicContact CE2-CD1 4.16Å; F851-L873 HydrophobicContact CG-CD1 3.49Å; F851-L873 VanDerWaalsContact CG-CD1 3.49Å; A869-L873 WeakPolarHBondContact O-CG 3.38Å; A869-L873 PolarHBondContact O-N 2.84Å; A869-L873 VanDerWaalsContact O-N 3.08Å; E871-L873 PolarHBondContact O-N 3.21Å; L873-E875 VanDerWaalsContact C-N 3.26Å; L873-E875 PolarHBondContact O-N 3.03Å; L873-H876 PolarHBondContact O-N 3.35Å; L873-F877 HydrophobicContact CB-CD2 4.22Å; L873-F877 HydrophobicContact CD2-CE2 4.18Å; L873-F877 VanDerWaalsContact O-CB 3.32Å; L873-F877 WeakPolarHBondContact O-CB 3.46Å; L873-F877 VanDerWaalsContact O-CD2 3.26Å; L873-F877 WeakPolarHBondContact O-CD2 3.31Å; L873-F877 PolarHBondContact O-N 2.66Å
874	K	87	Confident	78.4	Confident	25 Å²	25	60 Å²	60	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-56.8	-41.4	176.5	-74.9	164.2	-161	-174.5	0	112.1	P311 L848 S870 E871 F872 C878 V879	P311-K874 HydrophobicContact CB-CD 4.13Å; P311-K874 VanDerWaalsContact CB-CE 3.44Å; P311-K874 HydrophobicContact CB-CG 4.39Å; P311-K874 HydrophobicContact CG-CD 3.71Å; P311-K874 VanDerWaalsContact CG-CE 3.4Å; P311-K874 HydrophobicContact CG-CG 4.29Å; L848-K874 HydrophobicContact CD1-CG 3.86Å; L848-K874 HydrophobicContact CD2-CG 3.87Å; S870-K874 WeakPolarHBondContact O-CB 3.3Å; S870-K874 WeakPolarHBondContact O-CD 3.44Å; S870-K874 WeakPolarHBondContact O-CE 3.4Å; S870-K874 WeakPolarHBondContact O-CG 3.25Å; S870-K874 PolarHBondContact O-N 3.28Å; E871-K874 PolarHBondContact O-N 2.98Å; F872-K874 PolarHBondContact O-N 3.45Å; K874-C878 PolarHBondContact O-N 2.81Å; K874-C878 VanDerWaalsContact O-N 3.16Å; K874-V879 PolarHBondContact O-N 3.16Å
875	E	89.9	Confident	80.3	Confident	98 Å²	98	63.2 Å²	63.2	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-49.1	177.2	-171.1	-176.3	169.2	0	0	111.3	E871 F872 L873 C878 R889	E871-E875 PolarHBondContact O-N 3.36Å; F872-E875 PolarHBondContact O-N 2.93Å; L873-E875 VanDerWaalsContact C-N 3.26Å; L873-E875 PolarHBondContact O-N 3.03Å; E875-C878 PolarHBondContact O-N 3.15Å; E875-C878 PolarHBondContact O-SG 2.93Å; E875-R889 IonicContact OE1-CZ 2.95Å; E875-R889 IonicContact OE1-NH1 3.86Å; E875-R889 PolarHBondContact OE1-NH1 2.97Å; E875-R889 IonicContact OE1-NH2 2.67Å; E875-R889 PolarHBondContact OE1-NH2 3.34Å
876	H	91.9	Very high	82.4	Confident	9 Å²	9	57.1 Å²	57.1	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-71.4	-37.9	-175	-72.2	68.4	0	0	0	112.3	Y768 F872 L873 C878	Y768-H876 HydrophobicContact CE1-CB 4.44Å; Y768-H876 WeakPolarHBondContact CE1-O 3.26Å; Y768-H876 AromaticContact CE2-CD2 3.83Å; Y768-H876 PolarHBondContact O-CD2 3.18Å; Y768-H876 PolarHBondContact OH-O 3.1Å; F872-H876 AromaticContact CD1-ND1 3.8Å; F872-H876 AromaticContact CD2-CE1 3.67Å; F872-H876 AromaticContact CD2-ND1 3.94Å; F872-H876 AromaticContact CE1-CE1 3.7Å; F872-H876 AromaticContact CE1-CG 3.77Å; F872-H876 AromaticContact CE1-ND1 3.52Å; F872-H876 AromaticContact CE2-CE1 3.11Å; F872-H876 WeakPolarHBondContact CE2-CE1 3.13Å; F872-H876 AromaticContact CE2-ND1 3.69Å; F872-H876 AromaticContact CE2-NE2 3.66Å; F872-H876 AromaticContact CG-ND1 3.97Å; F872-H876 AromaticContact CZ-CD2 3.77Å; F872-H876 AromaticContact CZ-CE1 3.09Å; F872-H876 WeakPolarHBondContact CZ-CE1 3.42Å; F872-H876 AromaticContact CZ-CG 3.86Å; F872-H876 AromaticContact CZ-ND1 3.45Å; F872-H876 WeakPolarHBondContact CZ-ND1 3.39Å; F872-H876 AromaticContact CZ-NE2 3.3Å; F872-H876 VanDerWaalsContact CZ-NE2 3.3Å; F872-H876 WeakPolarHBondContact CZ-NE2 3.45Å; F872-H876 PolarHBondContact O-N 3.41Å; F872-H876 PolarHBondContact O-ND1 2.88Å; L873-H876 PolarHBondContact O-N 3.35Å; H876-C878 PolarHBondContact O-N 2.87Å
877	F	92.6	Very high	84.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.8	170.3	-80.7	-85.9	0	0	0	113.3	M686 L769 L840 R841 A844 F847 L873 V879	M686-F877 HydrophobicContact CE-CZ 4.31Å; L769-F877 HydrophobicContact CB-CE2 4.2Å; L769-F877 HydrophobicContact CB-CZ 4.19Å; L769-F877 HydrophobicContact CD1-CD1 4.43Å; L769-F877 HydrophobicContact CD1-CE1 3.8Å; L769-F877 HydrophobicContact CD1-CZ 3.94Å; L769-F877 HydrophobicContact CD2-CB 4.5Å; L769-F877 HydrophobicContact CD2-CD1 3.68Å; L769-F877 HydrophobicContact CD2-CD2 4.01Å; L769-F877 HydrophobicContact CD2-CE1 3.84Å; L769-F877 HydrophobicContact CD2-CE2 4.12Å; L769-F877 HydrophobicContact CD2-CG 3.81Å; L769-F877 HydrophobicContact CD2-CZ 4.05Å; L769-F877 HydrophobicContact CG-CE1 4.33Å; L769-F877 HydrophobicContact CG-CZ 4.29Å; L840-F877 HydrophobicContact CB-CE1 4.45Å; R841-F877 WeakPolarHBondContact CD-O 3.3Å; R841-F877 VanDerWaalsContact CG-O 3.27Å; R841-F877 WeakPolarHBondContact CG-O 3.43Å; R841-F877 PolarHBondContact NE-O 2.93Å; A844-F877 HydrophobicContact CB-CB 3.88Å; A844-F877 HydrophobicContact CB-CD1 3.62Å; A844-F877 HydrophobicContact CB-CE1 4.26Å; A844-F877 HydrophobicContact CB-CG 3.79Å; F847-F877 HydrophobicContact CB-CE2 4.19Å; F847-F877 HydrophobicContact CB-CZ 4.01Å; F847-F877 AromaticContact CD2-CE1 3.8Å; F847-F877 HydrophobicContact CD2-CE1 3.8Å; F847-F877 HydrophobicContact CD2-CE2 4.44Å; F847-F877 AromaticContact CD2-CZ 3.48Å; F847-F877 HydrophobicContact CD2-CZ 3.48Å; F847-F877 VanDerWaalsContact CD2-CZ 3.48Å; F847-F877 HydrophobicContact CE2-CE1 4.22Å; F847-F877 HydrophobicContact CE2-CZ 4.13Å; F847-F877 HydrophobicContact CG-CE2 4.46Å; F847-F877 AromaticContact CG-CZ 3.81Å; F847-F877 HydrophobicContact CG-CZ 3.81Å; L873-F877 HydrophobicContact CB-CD2 4.22Å; L873-F877 HydrophobicContact CD2-CE2 4.18Å; L873-F877 VanDerWaalsContact O-CB 3.32Å; L873-F877 WeakPolarHBondContact O-CB 3.46Å; L873-F877 VanDerWaalsContact O-CD2 3.26Å; L873-F877 WeakPolarHBondContact O-CD2 3.31Å; L873-F877 PolarHBondContact O-N 2.66Å; F877-V879 VanDerWaalsContact C-N 3.28Å; F877-V879 HydrophobicContact CB-CG2 3.86Å; F877-V879 PolarHBondContact O-N 3.45Å
878	C	89.9	Confident	86.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.014	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.9	-180	-57.3	0	0	0	0	112.7	F837 R841 K874 E875 H876 H880 Q881 A886	F837-C878 HydrophobicContact CZ-CB 4.49Å; R841-C878 PolarHBondContact NE-O 3.38Å; K874-C878 PolarHBondContact O-N 2.81Å; K874-C878 VanDerWaalsContact O-N 3.16Å; E875-C878 PolarHBondContact O-N 3.15Å; E875-C878 PolarHBondContact O-SG 2.93Å; H876-C878 PolarHBondContact O-N 2.87Å; C878-H880 PolarHBondContact O-N 3.39Å; C878-Q881 HydrophobicContact CB-CB 4.19Å; C878-Q881 HydrophobicContact CB-CG 4.35Å; C878-Q881 PolarHBondContact O-N 2.91Å; C878-Q881 VanDerWaalsContact O-N 3.1Å; C878-A886 HydrophobicContact CB-CB 3.47Å; C878-A886 VanDerWaalsContact CB-CB 3.47Å
879	V	83.3	Confident	87.7	Confident	35 Å²	35	48.7 Å²	48.7	21%	0.212	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.8	-171	-179.8	0	0	0	0	112	A844 K874 F877	A844-V879 HydrophobicContact CB-CG2 3.96Å; K874-V879 PolarHBondContact O-N 3.16Å; F877-V879 VanDerWaalsContact C-N 3.28Å; F877-V879 HydrophobicContact CB-CG2 3.86Å; F877-V879 PolarHBondContact O-N 3.45Å
880	H	81.3	Confident	88.4	Confident	140 Å²	140	48 Å²	48	65%	0.648	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.3	-177.4	-53.8	-54.3	0	0	0	114.5	C878	C878-H880 PolarHBondContact O-N 3.39Å
881	Q	84.7	Confident	89	Confident	70 Å²	70	46.8 Å²	46.8	33%	0.327	23%	0.229	S	C	.	.	S	Bend	trans	-106.7	158.9	-178.7	-56.1	-170.4	6.6	0	0	110.9	R841 C878 K885	R841-Q881 PolarHBondContact NH2-O 3.4Å; C878-Q881 HydrophobicContact CB-CB 4.19Å; C878-Q881 HydrophobicContact CB-CG 4.35Å; C878-Q881 PolarHBondContact O-N 2.91Å; C878-Q881 VanDerWaalsContact O-N 3.1Å; Q881-K885 HydrophobicContact CB-CB 4.05Å
882	S	88.6	Confident	89.4	Confident	52 Å²	52	44.7 Å²	44.7	36%	0.364	22%	0.221	S	C	.	.			trans	-68.4	161	170.8	76.5	0	0	0	0	111	E884 K885 A886	S882-E884 WeakPolarHBondContact CB-OE2 3.32Å; S882-E884 PolarHBondContact O-N 3.46Å; S882-E884 PolarHBondContact OG-OE2 2.91Å; S882-K885 PolarHBondContact O-N 3.42Å; S882-K885 PolarHBondContact OG-N 2.88Å; S882-A886 WeakPolarHBondContact O-CB 3.33Å; S882-A886 PolarHBondContact O-N 3.27Å
883	E	90.1	Very high	89.5	Confident	78 Å²	78	46 Å²	46	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-56.1	-39.6	178.1	-71.3	-170	162.9	0	0	111.5	L838 R842 A886 V887	L838-E883 HydrophobicContact CD2-CB 3.93Å; L838-E883 HydrophobicContact CD2-CG 3.92Å; R842-E883 IonicContact NH2-OE1 3.78Å; E883-A886 PolarHBondContact O-N 2.98Å; E883-V887 WeakPolarHBondContact O-CB 3.5Å; E883-V887 WeakPolarHBondContact O-CG2 3.36Å; E883-V887 PolarHBondContact O-N 3.31Å
884	E	88.9	Confident	89.4	Confident	91 Å²	91	46 Å²	46	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-41.9	-179.9	-50.8	85.2	171.5	0	0	112.2	S882 S888	S882-E884 WeakPolarHBondContact CB-OE2 3.32Å; S882-E884 PolarHBondContact O-N 3.46Å; S882-E884 PolarHBondContact OG-OE2 2.91Å; E884-S888 VanDerWaalsContact O-CB 3.26Å; E884-S888 WeakPolarHBondContact O-CB 3.48Å; E884-S888 PolarHBondContact O-N 2.89Å
885	K	91.5	Very high	89.2	Confident	140 Å²	140	45 Å²	45	61%	0.609	22%	0.221	S	C	*	.	H	α-helix	trans	-67.6	-40.2	177	-75.4	-173.7	177.9	-178.2	0	111.4	Q881 S882 S888 R889	Q881-K885 HydrophobicContact CB-CB 4.05Å; S882-K885 PolarHBondContact O-N 3.42Å; S882-K885 PolarHBondContact OG-N 2.88Å; K885-S888 PolarHBondContact O-N 3.46Å; K885-R889 WeakPolarHBondContact O-CB 3.3Å; K885-R889 PolarHBondContact O-N 3.2Å
886	A	92.9	Very high	88.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-47	177.8	0	0	0	0	0	111.3	F837 C878 S882 E883 R889 L890	F837-A886 HydrophobicContact CE1-CB 3.7Å; F837-A886 HydrophobicContact CZ-CB 4.07Å; C878-A886 HydrophobicContact CB-CB 3.47Å; C878-A886 VanDerWaalsContact CB-CB 3.47Å; S882-A886 WeakPolarHBondContact O-CB 3.33Å; S882-A886 PolarHBondContact O-N 3.27Å; E883-A886 PolarHBondContact O-N 2.98Å; A886-R889 PolarHBondContact O-N 3.39Å; A886-L890 PolarHBondContact O-N 3.33Å
887	V	93.6	Very high	87.5	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-43.7	176.3	171.4	0	0	0	0	111.4	F834 F837 L838 E883 R889 L890 A891 V913 M916	F834-V887 HydrophobicContact CB-CG1 4.33Å; F834-V887 HydrophobicContact CD1-CG1 3.65Å; F834-V887 HydrophobicContact CD2-CG1 3.96Å; F834-V887 HydrophobicContact CE1-CG1 3.81Å; F834-V887 HydrophobicContact CE2-CG1 4.12Å; F834-V887 HydrophobicContact CG-CG1 3.73Å; F834-V887 HydrophobicContact CZ-CG1 4.05Å; F837-V887 HydrophobicContact CD1-CG2 4.43Å; L838-V887 HydrophobicContact CD1-CG2 4.04Å; L838-V887 HydrophobicContact CD2-CG2 3.82Å; L838-V887 HydrophobicContact CG-CG2 3.95Å; E883-V887 WeakPolarHBondContact O-CB 3.5Å; E883-V887 WeakPolarHBondContact O-CG2 3.36Å; E883-V887 PolarHBondContact O-N 3.31Å; V887-R889 VanDerWaalsContact C-N 3.3Å; V887-R889 PolarHBondContact O-N 3.32Å; V887-L890 PolarHBondContact O-N 3.4Å; V887-A891 WeakPolarHBondContact O-CB 3.37Å; V887-A891 PolarHBondContact O-N 3.49Å; V887-V913 HydrophobicContact CG1-CG2 3.65Å; V887-M916 HydrophobicContact CG1-CE 4.23Å
888	S	91.9	Very high	86.6	Confident	56 Å²	56	46.2 Å²	46.2	39%	0.392	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-39.1	176.3	179.4	0	0	0	0	112	E884 K885 A891 N892	E884-S888 VanDerWaalsContact O-CB 3.26Å; E884-S888 WeakPolarHBondContact O-CB 3.48Å; E884-S888 PolarHBondContact O-N 2.89Å; K885-S888 PolarHBondContact O-N 3.46Å; S888-A891 PolarHBondContact O-N 3.43Å; S888-N892 WeakPolarHBondContact O-CB 3.19Å; S888-N892 PolarHBondContact O-N 3.5Å; S888-N892 PolarHBondContact O-ND2 2.93Å; S888-N892 PolarHBondContact O-OD1 3.1Å
889	R	91.5	Very high	85.3	Confident	40 Å²	40	55.1 Å²	55.1	15%	0.151	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-50.1	174.9	179.4	175.3	169	121.6	1.1	111.4	Y768 E875 K885 A886 V887 A891 N892 R893	Y768-R889 PolarHBondContact OH-NE 3.46Å; E875-R889 IonicContact OE1-CZ 2.95Å; E875-R889 IonicContact OE1-NH1 3.86Å; E875-R889 PolarHBondContact OE1-NH1 2.97Å; E875-R889 IonicContact OE1-NH2 2.67Å; E875-R889 PolarHBondContact OE1-NH2 3.34Å; K885-R889 WeakPolarHBondContact O-CB 3.3Å; K885-R889 PolarHBondContact O-N 3.2Å; A886-R889 PolarHBondContact O-N 3.39Å; V887-R889 VanDerWaalsContact C-N 3.3Å; V887-R889 PolarHBondContact O-N 3.32Å; R889-A891 VanDerWaalsContact C-N 3.33Å; R889-A891 PolarHBondContact O-N 3.01Å; R889-N892 PolarHBondContact O-N 3.2Å; R889-R893 WeakPolarHBondContact O-CG 3.09Å; R889-R893 PolarHBondContact O-N 3.02Å
890	L	92.3	Very high	84	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-46.1	177.4	176.1	62	0	0	0	111.4	V765 Y768 T833 F834 F837 A886 V887 N892 R893 M894	V765-L890 HydrophobicContact CG2-CD2 4.49Å; Y768-L890 HydrophobicContact CD1-CD1 3.62Å; Y768-L890 HydrophobicContact CD2-CD1 4.23Å; Y768-L890 HydrophobicContact CE1-CD1 3.97Å; Y768-L890 HydrophobicContact CG-CD1 3.75Å; T833-L890 HydrophobicContact CG2-CD2 4.08Å; F834-L890 HydrophobicContact CD1-CD2 4.34Å; F837-L890 HydrophobicContact CB-CD2 3.58Å; F837-L890 HydrophobicContact CD1-CD2 3.92Å; F837-L890 HydrophobicContact CD2-CD2 3.93Å; F837-L890 HydrophobicContact CG-CD2 3.54Å; A886-L890 PolarHBondContact O-N 3.33Å; V887-L890 PolarHBondContact O-N 3.4Å; L890-N892 PolarHBondContact O-N 3.01Å; L890-R893 PolarHBondContact O-N 2.84Å; L890-M894 HydrophobicContact CD1-CG 4.05Å; L890-M894 HydrophobicContact CD1-SD 3.86Å; L890-M894 HydrophobicContact CG-CG 4.49Å; L890-M894 HydrophobicContact CG-SD 3.99Å; L890-M894 WeakPolarHBondContact O-CG 3.34Å; L890-M894 PolarHBondContact O-N 2.77Å
891	A	90.7	Very high	83	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-45.3	177.1	0	0	0	0	0	112.8	F834 V887 S888 R889 M894 T895 I909	F834-A891 HydrophobicContact CE1-CB 4.07Å; F834-A891 HydrophobicContact CZ-CB 3.98Å; V887-A891 WeakPolarHBondContact O-CB 3.37Å; V887-A891 PolarHBondContact O-N 3.49Å; S888-A891 PolarHBondContact O-N 3.43Å; R889-A891 VanDerWaalsContact C-N 3.33Å; R889-A891 PolarHBondContact O-N 3.01Å; A891-M894 PolarHBondContact O-N 3.43Å; A891-T895 WeakPolarHBondContact O-CB 3.39Å; A891-T895 WeakPolarHBondContact O-CG2 3.35Å; A891-T895 PolarHBondContact O-N 2.77Å; A891-T895 PolarHBondContact O-OG1 3.24Å; A891-I909 HydrophobicContact CB-CD1 4.14Å; A891-I909 HydrophobicContact CB-CG2 3.78Å
892	N	88.6	Confident	81.9	Confident	64 Å²	64	51.8 Å²	51.8	34%	0.342	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-45.6	176.8	-68.9	-18.4	0	0	0	111	S888 R889 L890 M894 T895 E896 M906	S888-N892 WeakPolarHBondContact O-CB 3.19Å; S888-N892 PolarHBondContact O-N 3.5Å; S888-N892 PolarHBondContact O-ND2 2.93Å; S888-N892 PolarHBondContact O-OD1 3.1Å; R889-N892 PolarHBondContact O-N 3.2Å; L890-N892 PolarHBondContact O-N 3.01Å; N892-M894 PolarHBondContact O-N 2.78Å; N892-T895 WeakPolarHBondContact CA-OG1 3.07Å; N892-T895 PolarHBondContact O-N 3.32Å; N892-T895 PolarHBondContact O-OG1 2.91Å; N892-E896 WeakPolarHBondContact O-CG 3.47Å; N892-E896 PolarHBondContact O-N 3.22Å; N892-M906 VanDerWaalsContact OD1-CE 3.25Å; N892-M906 WeakPolarHBondContact OD1-CE 3.29Å
893	R	88.5	Confident	80.5	Confident	61 Å²	61	54 Å²	54	23%	0.23	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-38	178.5	-69.3	-61	-170.7	-109.2	-4.1	113.6	Y768 E807 R889 L890 E896	Y768-R893 HydrophobicContact CE2-CB 4.3Å; Y768-R893 HydrophobicContact CE2-CG 4.15Å; E807-R893 IonicContact OE1-CZ 2.67Å; E807-R893 IonicContact OE1-NE 2.98Å; E807-R893 PolarHBondContact OE1-NE 3.32Å; E807-R893 VanDerWaalsContact OE1-NE 3.09Å; E807-R893 IonicContact OE1-NH2 4Å; E807-R893 WeakPolarHBondContact OE2-CD 3.27Å; E807-R893 WeakPolarHBondContact OE2-CG 3.39Å; E807-R893 IonicContact OE2-NE 2.85Å; E807-R893 PolarHBondContact OE2-NE 2.86Å; E807-R893 VanDerWaalsContact OE2-NE 3.14Å; R889-R893 WeakPolarHBondContact O-CG 3.09Å; R889-R893 PolarHBondContact O-N 3.02Å; L890-R893 PolarHBondContact O-N 2.84Å; R893-E896 IonicContact CZ-OE1 2.92Å; R893-E896 IonicContact NH1-OE1 2.86Å; R893-E896 PolarHBondContact NH1-OE1 3.32Å; R893-E896 IonicContact NH1-OE2 3.2Å
894	M	87.4	Confident	79.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.7	-32.5	176.5	-71.5	-176.4	70.6	0	0	113	C764 V808 L810 F829 W830 T833 L890 A891 N892 S897	C764-M894 HydrophobicContact CB-CE 3.75Å; V808-M894 HydrophobicContact CB-CG 4.04Å; V808-M894 HydrophobicContact CG1-CG 3.95Å; V808-M894 HydrophobicContact CG2-CG 4.07Å; L810-M894 HydrophobicContact CD2-CE 3.85Å; F829-M894 HydrophobicContact CE1-CE 3.69Å; F829-M894 HydrophobicContact CZ-CE 3.59Å; W830-M894 HydrophobicContact CH2-CB 3.68Å; W830-M894 HydrophobicContact CH2-CE 4.34Å; W830-M894 HydrophobicContact CH2-SD 4.29Å; W830-M894 HydrophobicContact CZ3-CB 4.14Å; W830-M894 HydrophobicContact CZ3-CE 4.2Å; W830-M894 HydrophobicContact CZ3-SD 3.86Å; T833-M894 HydrophobicContact CG2-CE 3.97Å; T833-M894 HydrophobicContact CG2-SD 3.6Å; L890-M894 HydrophobicContact CD1-CG 4.05Å; L890-M894 HydrophobicContact CD1-SD 3.86Å; L890-M894 HydrophobicContact CG-CG 4.49Å; L890-M894 HydrophobicContact CG-SD 3.99Å; L890-M894 WeakPolarHBondContact O-CG 3.34Å; L890-M894 PolarHBondContact O-N 2.77Å; A891-M894 PolarHBondContact O-N 3.43Å; N892-M894 PolarHBondContact O-N 2.78Å; M894-S897 WeakPolarHBondContact O-CB 3.26Å; M894-S897 PolarHBondContact O-N 3.34Å
895	T	83.1	Confident	78.2	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-78.4	-27.1	178.3	49.6	0	0	0	0	113.1	W830 A891 N892 S897 I898 I905 M906 I909	W830-T895 HydrophobicContact CH2-CG2 4.27Å; W830-T895 HydrophobicContact CZ2-CG2 4.27Å; A891-T895 WeakPolarHBondContact O-CB 3.39Å; A891-T895 WeakPolarHBondContact O-CG2 3.35Å; A891-T895 PolarHBondContact O-N 2.77Å; A891-T895 PolarHBondContact O-OG1 3.24Å; N892-T895 WeakPolarHBondContact CA-OG1 3.07Å; N892-T895 PolarHBondContact O-N 3.32Å; N892-T895 PolarHBondContact O-OG1 2.91Å; T895-S897 PolarHBondContact O-N 3.1Å; T895-S897 VanDerWaalsContact O-N 3.16Å; T895-I898 CarbonylContact O-C 3.06Å; T895-I898 WeakPolarHBondContact O-CA 3.43Å; T895-I898 PolarHBondContact O-N 2.81Å; T895-I905 HydrophobicContact CG2-CG2 3.85Å; T895-M906 HydrophobicContact CG2-CE 4.35Å; T895-M906 HydrophobicContact CG2-SD 4.4Å; T895-M906 VanDerWaalsContact OG1-CE 3.3Å; T895-M906 WeakPolarHBondContact OG1-CE 3.47Å; T895-I909 HydrophobicContact CG2-CD1 3.74Å
896	E	77.4	Confident	77	Confident	93 Å²	93	47 Å²	47	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-56.1	-27.9	170.1	-79	172.1	-155	0	0	112.5	N892 R893 I898 K899	N892-E896 WeakPolarHBondContact O-CG 3.47Å; N892-E896 PolarHBondContact O-N 3.22Å; R893-E896 IonicContact CZ-OE1 2.92Å; R893-E896 IonicContact NH1-OE1 2.86Å; R893-E896 PolarHBondContact NH1-OE1 3.32Å; R893-E896 IonicContact NH1-OE2 3.2Å; E896-I898 VanDerWaalsContact C-N 3.27Å; E896-I898 PolarHBondContact O-N 3.17Å; E896-K899 WeakPolarHBondContact O-CE 3.29Å; E896-K899 WeakPolarHBondContact O-CG 3.27Å
897	S	69.7	Low	75.7	Confident	31 Å²	31	53.8 Å²	53.8	22%	0.217	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.6	175.3	-55.3	0	0	0	0	113.8	P806 V808 M894 T895	P806-S897 WeakPolarHBondContact CB-OG 3.4Å; V808-S897 WeakPolarHBondContact O-CB 3.49Å; V808-S897 PolarHBondContact O-OG 3.43Å; M894-S897 WeakPolarHBondContact O-CB 3.26Å; M894-S897 PolarHBondContact O-N 3.34Å; T895-S897 PolarHBondContact O-N 3.1Å; T895-S897 VanDerWaalsContact O-N 3.16Å
898	I	73.6	Confident	74.4	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.036	30%	0.301	C	S	.	.			trans	-120.6	51.3	-173.7	-45.6	160.2	0	0	0	109.4	L810 I815 T895 E896 A900 I901 V902 I905	L810-I898 HydrophobicContact CD2-CD1 3.8Å; L810-I898 HydrophobicContact CG-CD1 4.11Å; I815-I898 HydrophobicContact CD1-CD1 3.53Å; I815-I898 HydrophobicContact CD1-CG1 3.92Å; I815-I898 HydrophobicContact CD1-CG2 4.02Å; T895-I898 CarbonylContact O-C 3.06Å; T895-I898 WeakPolarHBondContact O-CA 3.43Å; T895-I898 PolarHBondContact O-N 2.81Å; E896-I898 VanDerWaalsContact C-N 3.27Å; E896-I898 PolarHBondContact O-N 3.17Å; I898-A900 PolarHBondContact O-N 3.34Å; I898-I901 HydrophobicContact CG2-CB 4.15Å; I898-I901 HydrophobicContact CG2-CD1 3.49Å; I898-I901 VanDerWaalsContact CG2-CD1 3.49Å; I898-I901 HydrophobicContact CG2-CG1 4.42Å; I898-I901 PolarHBondContact O-N 2.88Å; I898-V902 WeakPolarHBondContact O-CG2 3.43Å; I898-I905 HydrophobicContact CG2-CD1 4.26Å
899	K	61.3	Low	73.3	Confident	189 Å²	189	54.7 Å²	54.7	82%	0.822	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-14.6	-171.7	-63.2	-171.1	177.3	178.4	0	116.5	E896	E896-K899 WeakPolarHBondContact O-CE 3.29Å; E896-K899 WeakPolarHBondContact O-CG 3.27Å
900	A	56.5	Low	72.3	Confident	95 Å²	95	58 Å²	58	79%	0.785	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-12.5	-176.9	0	0	0	0	0	115.7	I898	I898-A900 PolarHBondContact O-N 3.34Å
901	I	59.6	Low	71.4	Confident	33 Å²	33	62 Å²	62	17%	0.169	33%	0.326	C	S	.	.	S	Bend	trans	-128.5	20.6	-170.4	-50.2	117.8	0	0	0	112	P821 I898 I905	P821-I901 HydrophobicContact CB-CG2 4Å; P821-I901 HydrophobicContact CG-CG2 4.15Å; I898-I901 HydrophobicContact CG2-CB 4.15Å; I898-I901 HydrophobicContact CG2-CD1 3.49Å; I898-I901 VanDerWaalsContact CG2-CD1 3.49Å; I898-I901 HydrophobicContact CG2-CG1 4.42Å; I898-I901 PolarHBondContact O-N 2.88Å; I901-I905 HydrophobicContact CB-CD1 3.83Å; I901-I905 HydrophobicContact CG2-CD1 3.64Å; I901-I905 HydrophobicContact CG2-CG1 3.96Å; I901-I905 WeakPolarHBondContact O-CD1 3.33Å; I901-I905 VanDerWaalsContact O-CG1 3.31Å; I901-I905 WeakPolarHBondContact O-CG1 3.34Å
902	V	62	Low	70.5	Confident	47 Å²	47	62.7 Å²	62.7	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-43.5	-165.9	-177.9	0	0	0	0	115.3	I898 M906	I898-V902 WeakPolarHBondContact O-CG2 3.43Å; V902-M906 HydrophobicContact CG1-CE 4.45Å; V902-M906 HydrophobicContact CG1-CG 4.05Å; V902-M906 WeakPolarHBondContact O-CG 3.08Å; V902-M906 PolarHBondContact O-N 3.43Å; V902-M906 VanDerWaalsContact O-N 3.1Å
903	P	59.8	Low	69.4	Low	99 Å²	99	61.1 Å²	61.1	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-64.4	-52.9	-170.5	-22.9	33.9	0	0	0	114.2	I905 M906 E907	P903-I905 VanDerWaalsContact C-N 3.27Å; P903-I905 PolarHBondContact O-N 3.48Å; P903-M906 PolarHBondContact O-N 3.39Å; P903-E907 PolarHBondContact O-N 3.3Å
904	D	62.6	Low	68.5	Low	100 Å²	100	63.1 Å²	63.1	54%	0.535	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-32.3	-176.4	-58	-19.4	0	0	0	112.1	R908	D904-R908 PolarHBondContact O-N 2.91Å
905	I	67.2	Low	67.7	Low	2 Å²	2	71.1 Å²	71.1	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-69.6	-40.4	177.4	-66.1	176.8	0	0	0	110.3	P821 F826 W830 T895 I898 I901 P903 E907 R908 I909	P821-I905 HydrophobicContact CB-CD1 4.43Å; F826-I905 HydrophobicContact CE1-CD1 4.06Å; F826-I905 HydrophobicContact CE1-CG1 4.04Å; F826-I905 HydrophobicContact CE1-CG2 4.28Å; F826-I905 HydrophobicContact CZ-CD1 4.19Å; W830-I905 HydrophobicContact CZ2-CG2 3.99Å; T895-I905 HydrophobicContact CG2-CG2 3.85Å; I898-I905 HydrophobicContact CG2-CD1 4.26Å; I901-I905 HydrophobicContact CB-CD1 3.83Å; I901-I905 HydrophobicContact CG2-CD1 3.64Å; I901-I905 HydrophobicContact CG2-CG1 3.96Å; I901-I905 WeakPolarHBondContact O-CD1 3.33Å; I901-I905 VanDerWaalsContact O-CG1 3.31Å; I901-I905 WeakPolarHBondContact O-CG1 3.34Å; P903-I905 VanDerWaalsContact C-N 3.27Å; P903-I905 PolarHBondContact O-N 3.48Å; I905-E907 PolarHBondContact O-N 3.34Å; I905-R908 PolarHBondContact O-N 3.4Å; I905-I909 HydrophobicContact CG2-CD1 3.67Å; I905-I909 HydrophobicContact CG2-CG1 4.22Å; I905-I909 VanDerWaalsContact O-CG1 3.29Å; I905-I909 WeakPolarHBondContact O-CG1 3.37Å; I905-I909 PolarHBondContact O-N 3.12Å
906	M	66	Low	66.7	Low	60 Å²	60	74 Å²	74	30%	0.296	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-39.7	-179.6	-78.7	-62.5	-161	0	0	112.9	N892 T895 V902 P903 I909 H910	N892-M906 VanDerWaalsContact OD1-CE 3.25Å; N892-M906 WeakPolarHBondContact OD1-CE 3.29Å; T895-M906 HydrophobicContact CG2-CE 4.35Å; T895-M906 HydrophobicContact CG2-SD 4.4Å; T895-M906 VanDerWaalsContact OG1-CE 3.3Å; T895-M906 WeakPolarHBondContact OG1-CE 3.47Å; V902-M906 HydrophobicContact CG1-CE 4.45Å; V902-M906 HydrophobicContact CG1-CG 4.05Å; V902-M906 WeakPolarHBondContact O-CG 3.08Å; V902-M906 PolarHBondContact O-N 3.43Å; V902-M906 VanDerWaalsContact O-N 3.1Å; P903-M906 PolarHBondContact O-N 3.39Å; M906-I909 PolarHBondContact O-N 2.83Å; M906-I909 HydrophobicContact SD-CD1 4.38Å; M906-H910 WeakPolarHBondContact O-CB 3.42Å; M906-H910 PolarHBondContact O-N 3.26Å
907	E	66	Low	65.6	Low	143 Å²	143	78.7 Å²	78.7	67%	0.668	39%	0.393	S	S	*	.	H	α-helix	trans	-64.3	-40	176.2	-170.7	177.7	-174.4	0	0	111.9	P903 I905 H910 T911	P903-E907 PolarHBondContact O-N 3.3Å; I905-E907 PolarHBondContact O-N 3.34Å; E907-H910 WeakPolarHBondContact O-CB 3.46Å; E907-H910 PolarHBondContact O-N 2.96Å; E907-T911 PolarHBondContact O-N 3.21Å; E907-T911 PolarHBondContact O-OG1 2.95Å
908	R	67.3	Low	64.2	Low	69 Å²	69	86.3 Å²	86.3	26%	0.26	43%	0.431	S	S	.	.	H	α-helix	trans	-65.9	-44.6	175	-74	-179.6	171.8	-139.7	4.9	112.1	P821 N822 N827 D904 I905 H910 T911 I912	P821-R908 PolarHBondContact O-NH1 3.44Å; N822-R908 PolarHBondContact O-NH1 3.14Å; N822-R908 PolarHBondContact O-NH2 3.43Å; N827-R908 VanDerWaalsContact CG-NH1 3.32Å; N827-R908 PolarHBondContact ND2-NH1 3.33Å; N827-R908 VanDerWaalsContact ND2-NH1 3.12Å; N827-R908 WeakPolarHBondContact OD1-CD 3.48Å; N827-R908 PolarHBondContact OD1-NH1 3.45Å; D904-R908 PolarHBondContact O-N 2.91Å; I905-R908 PolarHBondContact O-N 3.4Å; R908-H910 VanDerWaalsContact C-N 3.29Å; R908-H910 PolarHBondContact O-N 2.94Å; R908-T911 WeakPolarHBondContact O-CB 3.35Å; R908-T911 PolarHBondContact O-N 2.84Å; R908-I912 WeakPolarHBondContact O-CG1 3.27Å; R908-I912 PolarHBondContact O-N 3.41Å
909	I	67.9	Low	63.8	Low	9 Å²	9	90.3 Å²	90.3	5%	0.046	45%	0.451	C	S	.	.	H	α-helix	trans	-57.6	-46.6	174	-71.2	168.4	0	0	0	109.7	W830 F834 A891 T895 I905 M906 T911 I912 V913	W830-I909 HydrophobicContact CD2-CD1 4.26Å; W830-I909 HydrophobicContact CD2-CG1 3.98Å; W830-I909 HydrophobicContact CE3-CD1 4.41Å; W830-I909 HydrophobicContact CE3-CG1 4.34Å; W830-I909 HydrophobicContact CG-CG1 4.39Å; W830-I909 HydrophobicContact CH2-CD1 3.71Å; W830-I909 HydrophobicContact CH2-CG1 4.46Å; W830-I909 HydrophobicContact CZ2-CD1 3.57Å; W830-I909 HydrophobicContact CZ2-CG1 4.15Å; W830-I909 HydrophobicContact CZ3-CD1 4.15Å; F834-I909 HydrophobicContact CE2-CG2 4.18Å; F834-I909 HydrophobicContact CZ-CG1 4.42Å; F834-I909 HydrophobicContact CZ-CG2 3.87Å; A891-I909 HydrophobicContact CB-CD1 4.14Å; A891-I909 HydrophobicContact CB-CG2 3.78Å; T895-I909 HydrophobicContact CG2-CD1 3.74Å; I905-I909 HydrophobicContact CG2-CD1 3.67Å; I905-I909 HydrophobicContact CG2-CG1 4.22Å; I905-I909 VanDerWaalsContact O-CG1 3.29Å; I905-I909 WeakPolarHBondContact O-CG1 3.37Å; I905-I909 PolarHBondContact O-N 3.12Å; M906-I909 PolarHBondContact O-N 2.83Å; M906-I909 HydrophobicContact SD-CD1 4.38Å; I909-T911 VanDerWaalsContact C-N 3.27Å; I909-T911 PolarHBondContact O-N 3.42Å; I909-I912 PolarHBondContact O-N 2.97Å; I909-I912 VanDerWaalsContact O-N 3.14Å; I909-V913 HydrophobicContact CG2-CG2 4.06Å; I909-V913 WeakPolarHBondContact O-CB 3.43Å; I909-V913 VanDerWaalsContact O-CG2 3.27Å; I909-V913 WeakPolarHBondContact O-CG2 3.5Å; I909-V913 PolarHBondContact O-N 3.22Å
910	H	71.5	Confident	63.9	Low	111 Å²	111	85.1 Å²	85.1	51%	0.514	43%	0.431	S	S	.	.	H	α-helix	trans	-58	-42.4	178.9	-166.3	65.9	0	0	0	111.7	M906 E907 R908 V913 Q914	M906-H910 WeakPolarHBondContact O-CB 3.42Å; M906-H910 PolarHBondContact O-N 3.26Å; E907-H910 WeakPolarHBondContact O-CB 3.46Å; E907-H910 PolarHBondContact O-N 2.96Å; R908-H910 VanDerWaalsContact C-N 3.29Å; R908-H910 PolarHBondContact O-N 2.94Å; H910-V913 PolarHBondContact O-N 3.22Å; H910-Q914 PolarHBondContact CD2-NE2 2.92Å; H910-Q914 PolarHBondContact NE2-NE2 3.01Å; H910-Q914 WeakPolarHBondContact O-CB 3.3Å; H910-Q914 VanDerWaalsContact O-CG 3.3Å; H910-Q914 WeakPolarHBondContact O-CG 3.45Å; H910-Q914 PolarHBondContact O-N 3.48Å
911	T	73.7	Confident	64.3	Low	84 Å²	84	84.6 Å²	84.6	52%	0.515	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.7	-54.7	0	0	0	0	111.9	E907 R908 I909 Q914 Y915	E907-T911 PolarHBondContact O-N 3.21Å; E907-T911 PolarHBondContact O-OG1 2.95Å; R908-T911 WeakPolarHBondContact O-CB 3.35Å; R908-T911 PolarHBondContact O-N 2.84Å; I909-T911 VanDerWaalsContact C-N 3.27Å; I909-T911 PolarHBondContact O-N 3.42Å; T911-Q914 PolarHBondContact O-N 2.91Å; T911-Y915 WeakPolarHBondContact O-CB 3.46Å; T911-Y915 PolarHBondContact O-N 3.28Å
912	I	70.3	Confident	64.6	Low	15 Å²	15	87.6 Å²	87.6	8%	0.077	43%	0.426	C	S	.	.	H	α-helix	trans	-66.3	-43.8	177.1	-66.6	168.5	0	0	0	110.8	W830 K831 F834 R908 I909 Q914 Y915 M916	W830-I912 HydrophobicContact CB-CD1 3.62Å; W830-I912 HydrophobicContact CG-CD1 4.37Å; K831-I912 HydrophobicContact CG-CG2 3.97Å; F834-I912 HydrophobicContact CD2-CG2 3.91Å; F834-I912 HydrophobicContact CE2-CG2 4.07Å; R908-I912 WeakPolarHBondContact O-CG1 3.27Å; R908-I912 PolarHBondContact O-N 3.41Å; I909-I912 PolarHBondContact O-N 2.97Å; I909-I912 VanDerWaalsContact O-N 3.14Å; I912-Q914 VanDerWaalsContact C-N 3.35Å; I912-Q914 PolarHBondContact O-N 3.49Å; I912-Y915 PolarHBondContact O-N 3.44Å; I912-M916 WeakPolarHBondContact O-CG 3.44Å; I912-M916 PolarHBondContact O-N 2.84Å
913	V	66.8	Low	64.7	Low	30 Å²	30	90.1 Å²	90.1	18%	0.182	44%	0.435	C	S	.	.	H	α-helix	trans	-63.3	-41	177.8	173.4	0	0	0	0	111.1	F834 V887 I909 H910 M916 R917	F834-V913 HydrophobicContact CE2-CG2 4.11Å; V887-V913 HydrophobicContact CG1-CG2 3.65Å; I909-V913 HydrophobicContact CG2-CG2 4.06Å; I909-V913 WeakPolarHBondContact O-CB 3.43Å; I909-V913 VanDerWaalsContact O-CG2 3.27Å; I909-V913 WeakPolarHBondContact O-CG2 3.5Å; I909-V913 PolarHBondContact O-N 3.22Å; H910-V913 PolarHBondContact O-N 3.22Å; V913-M916 PolarHBondContact O-N 2.95Å; V913-R917 PolarHBondContact O-N 3.2Å
914	Q	69.1	Low	65.1	Low	103 Å²	103	89.5 Å²	89.5	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-64	-40.6	173.2	-75.1	-176.8	1.3	0	0	112.1	H910 T911 I912 R917	H910-Q914 PolarHBondContact CD2-NE2 2.92Å; H910-Q914 PolarHBondContact NE2-NE2 3.01Å; H910-Q914 WeakPolarHBondContact O-CB 3.3Å; H910-Q914 VanDerWaalsContact O-CG 3.3Å; H910-Q914 WeakPolarHBondContact O-CG 3.45Å; H910-Q914 PolarHBondContact O-N 3.48Å; T911-Q914 PolarHBondContact O-N 2.91Å; I912-Q914 VanDerWaalsContact C-N 3.35Å; I912-Q914 PolarHBondContact O-N 3.49Å; Q914-R917 WeakPolarHBondContact O-CB 3.34Å; Q914-R917 PolarHBondContact O-N 3.17Å
915	Y	71.1	Confident	65.2	Low	168 Å²	168	88.8 Å²	88.8	66%	0.659	41%	0.413	S	S	*	.	H	α-helix	trans	-64.2	-39.1	177.5	-177.2	-91.5	0	0	0	112.2	T911 I912 R917 N918	T911-Y915 WeakPolarHBondContact O-CB 3.46Å; T911-Y915 PolarHBondContact O-N 3.28Å; I912-Y915 PolarHBondContact O-N 3.44Å; Y915-R917 PolarHBondContact O-N 3.42Å; Y915-N918 PolarHBondContact O-N 3.34Å; Y915-N918 VanDerWaalsContact O-OXT 3.12Å
916	M	61.7	Low	65.1	Low	65 Å²	65	95.5 Å²	95.5	32%	0.32	44%	0.444	S	S	.	.	H	α-helix	trans	-70.7	-14.8	175.8	-67.5	-167.1	-52	0	0	113.8	F834 V887 I912 V913	F834-M916 HydrophobicContact CB-CE 3.6Å; F834-M916 HydrophobicContact CB-SD 3.91Å; F834-M916 HydrophobicContact CD2-CE 3.69Å; F834-M916 HydrophobicContact CD2-SD 4.45Å; F834-M916 HydrophobicContact CG-CE 3.99Å; V887-M916 HydrophobicContact CG1-CE 4.23Å; I912-M916 WeakPolarHBondContact O-CG 3.44Å; I912-M916 PolarHBondContact O-N 2.84Å; V913-M916 PolarHBondContact O-N 2.95Å
917	R	53	Low	65	Low	193 Å²	193	98.4 Å²	98.4	73%	0.728	46%	0.456	S	S	*	.	H	α-helix	trans	-81	-25.8	178	-168.9	-179.7	179.7	-167.7	-1.7	112.6	V913 Q914 Y915	V913-R917 PolarHBondContact O-N 3.2Å; Q914-R917 WeakPolarHBondContact O-CB 3.34Å; Q914-R917 PolarHBondContact O-N 3.17Å; Y915-R917 PolarHBondContact O-N 3.42Å
918	N	41.8	Very low	64.9	Low	191 Å²	191	94.4 Å²	94.4	100%	1.021	44%	0.437	S	S	*	.			trans	-94.1	0	177.9	-63.3	-22.5	0	0	0	110	Y915	Y915-N918 PolarHBondContact O-N 3.34Å; Y915-N918 VanDerWaalsContact O-OXT 3.12Å

Retrieved 918 of 918 residues in 222.6 ms (Link to these results)

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