A0A096NA88_PAPAN Loading...

SLIT-ROBO Rho GTPase-activating protein 3

AlphaFold DB (A0A2K6LGK4), UniProt , Accession A0A096NA88, Species PAPAN (Papio anubis, Olive baboon), Gene SRGAP3, Length 1,099 aa.

						>A0A096NA88_PAPAN|A0A096NA88|SRGAP3
MSSQTKFKKDKEIIAEYEAQIKEIRTQLVEQFKCLEQQSESRLQLLQDLQEFFRRKAEIELEYSRSLEKLAERFSSKIRSSREHQFKKDQYLLSPVNCWYLVLHQTRRESRDHATLNDIFMNNVIVRLSQISEDVIRLFKKSKEIGLQMHEELLKVTNELYTVMKTYHMYHAESISAESKLKEAEKQEEKQFNKSGDLSMNLLRHEDRPQRRSSVKKIEKMKEKRQAKYSENKLKCTKARNDYLLNLAATNAAISKYYIHDVSDLIDCCDLGFHASLARTFRTYLSAEYNLETSRHEGLDVIENAVDNLDSRSDKHTVMDMCNQVFCPPLKFEFQPHMGDEVCQVSAQQPVQTELLMRYHQLQSRLATLKIENEEVRKTLDATMQTLQDMLTVEDFDVSDAFQHSRSTESVKSAASETYMSKINIAKRRANQQETEMFYFTKFKEYVNGSNLITKLQAKHDLLKQTLGEGERAECGTTRPPCLPPKPQKMRRPRPLSVYSHKLFNGSMEAFIKDSGQAIPLVVESCIRYINLYGLQQQGIFRVPGSQVEVNDIKNSFERGEDPLVDDQNERDINSVAGVLKLYFRGLENPLFPKERFQDLISTIKLENPAERVHQIQQILVTLPRVVIVVMRYLFAFLNHLSQYSDENMMDPYNLAICFGPTLMHIPDGQDPVSCQAHINEVIKTIIIHHEAIFPSPRELEGPVYEKCMAGGEEYCDSPHSEPGTIDEVDHDNGTEPHTSDEEVEQIEAIAKFDYMGRSPRELSFKKGASLLLYHRASEDWWEGRHNGVDGLIPHQYIVVQDMDDAFSDSLSQKADSEASSGPLLDDKASSKNDLQSPTEHISDYGFGGVMGRVRLRSDGAAIPRRRSGGDTHSPPRGLGPSIDTPPRAAACPSSPHKIPLTRGRIESPEKRRMATFGSAGSINYPDKKALSEGHSMRSTCGSTRHSSLGDHKSLEAEALAEDIEKTMSTALHELRELERQNTVKQAPDVVLDTLEPLKNPPGPISSEPASPLHTIVIRDPDAAMRRSSSSSTEMMTTFKPALSARLAGAQLRPPPMRPVRPVVQHRSSSSSSSGVGSPAVTPTEKMFPNSSADKSGTM
					

Structure Viewer

Loading PAE data...

(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	32.4	Very low	55.3	Low	236 Å²	236	144.8 Å²	144.8	100%	1.163	73%	0.732	S	S	*	*				0	132.1	0	-74.3	-58	-173.6	0	0	108.9	S3	M1-S3 PolarHBondContact O-N 3.4Å
2	S	36	Very low	57.8	Low	124 Å²	124	138.6 Å²	138.6	87%	0.867	70%	0.698	S	S	*	*			trans	-84.8	106.9	172.5	-174.4	0	0	0	0	109	Q4	S2-Q4 PolarHBondContact O-N 3.23Å
3	S	39.1	Very low	60	Low	103 Å²	103	131.4 Å²	131.4	72%	0.72	66%	0.662	S	S	*	*			trans	-77.6	110.4	175.4	37	0	0	0	0	109.7	M1 T5	M1-S3 PolarHBondContact O-N 3.4Å; S3-T5 PolarHBondContact O-N 2.98Å; S3-T5 VanDerWaalsContact O-N 3.09Å
4	Q	38.1	Very low	62	Low	187 Å²	187	123.4 Å²	123.4	87%	0.874	62%	0.622	S	S	*	*			trans	-56	117.7	161.9	-75.2	-177.9	-18.8	0	0	108.2	S2 K6	S2-Q4 PolarHBondContact O-N 3.23Å; Q4-K6 PolarHBondContact O-N 3.3Å
5	T	46.2	Very low	63.8	Low	140 Å²	140	118.8 Å²	118.8	86%	0.859	61%	0.611	S	S	*	*			trans	-67.8	92	178.4	31.3	0	0	0	0	109.7	S3 F7	S3-T5 PolarHBondContact O-N 2.98Å; S3-T5 VanDerWaalsContact O-N 3.09Å; T5-F7 PolarHBondContact O-N 3.07Å
6	K	52.8	Low	65.5	Low	151 Å²	151	116.9 Å²	116.9	66%	0.657	60%	0.598	S	S	*	*			trans	-48.4	129.4	172.8	-75.1	-174.2	173.2	-173.9	0	109.7	Q4 K8	Q4-K6 PolarHBondContact O-N 3.3Å; K6-K8 HydrophobicContact CB-CG 3.96Å; K6-K8 PolarHBondContact O-N 3.13Å
7	F	64.3	Low	67.1	Low	177 Å²	177	111.5 Å²	111.5	78%	0.776	57%	0.569	S	S	*	*			trans	-73.9	74.1	169	-171.3	-93.4	0	0	0	109.3	T5	T5-F7 PolarHBondContact O-N 3.07Å
8	K	72.1	Confident	68.5	Low	79 Å²	79	110.4 Å²	110.4	34%	0.343	56%	0.562	S	S	.	*			trans	-66.1	137.2	180	-64.1	-168	169.2	-179	0	110.3	K6 E12 I13 E16	K6-K8 HydrophobicContact CB-CG 3.96Å; K6-K8 PolarHBondContact O-N 3.13Å; K8-E12 WeakPolarHBondContact CA-OE2 3.43Å; K8-E12 HydrophobicContact CD-CG 4.45Å; K8-E12 HydrophobicContact CG-CG 4.44Å; K8-I13 HydrophobicContact CB-CD1 3.98Å; K8-I13 HydrophobicContact CB-CG1 3.69Å; K8-I13 HydrophobicContact CD-CG1 4.07Å; K8-E16 WeakPolarHBondContact CE-OE1 3.48Å; K8-E16 IonicContact NZ-OE1 2.65Å; K8-E16 PolarHBondContact NZ-OE1 3.15Å; K8-E16 IonicContact NZ-OE2 2.62Å; K8-E16 PolarHBondContact NZ-OE2 2.6Å
9	K	72.7	Confident	69.8	Low	148 Å²	148	107.7 Å²	107.7	64%	0.643	56%	0.558	S	S	*	*			trans	-93	156.1	172.1	-68.3	178.5	-178.6	173.3	0	109.8	K11 E12 I13	K9-K11 VanDerWaalsContact C-N 3.26Å; K9-K11 PolarHBondContact O-N 3.43Å; K9-K11 VanDerWaalsContact O-N 3.1Å; K9-E12 WeakPolarHBondContact O-CA 3.44Å; K9-E12 WeakPolarHBondContact O-CB 3.46Å; K9-E12 PolarHBondContact O-N 3.26Å; K9-I13 PolarHBondContact O-N 2.86Å
10	D	75.1	Confident	71	Confident	73 Å²	73	107.9 Å²	107.9	39%	0.39	56%	0.555	S	S	.	*	H	α-helix	trans	-38	-52.1	177.5	177.3	49.8	0	0	0	113.7	E12 I13 I14 H168	D10-E12 VanDerWaalsContact C-N 3.33Å; D10-E12 PolarHBondContact O-N 2.92Å; D10-I13 PolarHBondContact O-N 3.25Å; D10-I14 WeakPolarHBondContact O-CB 3.24Å; D10-I14 WeakPolarHBondContact O-CG1 3.46Å; D10-I14 PolarHBondContact O-N 2.94Å; D10-I14 VanDerWaalsContact OD1-CD1 3.24Å; D10-I14 WeakPolarHBondContact OD1-CD1 3.49Å; D10-H168 HydrophobicContact CB-CB 4.48Å; D10-H168 WeakPolarHBondContact OD1-CB 3.4Å; D10-H168 IonicContact OD1-CE1 2.75Å; D10-H168 IonicContact OD1-CG 2.64Å; D10-H168 IonicContact OD1-ND1 3.43Å; D10-H168 PolarHBondContact OD1-ND1 3.05Å
11	K	79.4	Confident	72.1	Confident	175 Å²	175	103.4 Å²	103.4	76%	0.761	53%	0.532	S	S	*	.	H	α-helix	trans	-60.9	-30.9	177.9	-64.5	-168.1	174.9	-167.2	0	115.6	K9 A15	K9-K11 VanDerWaalsContact C-N 3.26Å; K9-K11 PolarHBondContact O-N 3.43Å; K9-K11 VanDerWaalsContact O-N 3.1Å; K11-A15 VanDerWaalsContact O-CB 3.27Å; K11-A15 WeakPolarHBondContact O-CB 3.03Å; K11-A15 PolarHBondContact O-N 3.39Å; K11-A15 VanDerWaalsContact O-N 3.13Å
12	E	85.4	Confident	75.1	Confident	70 Å²	70	99.3 Å²	99.3	33%	0.327	51%	0.508	S	S	.	.	H	α-helix	trans	-73.8	-45.9	179.2	-173	-178.9	171.9	0	0	109.9	K8 K9 D10 A15 E16	K8-E12 WeakPolarHBondContact CA-OE2 3.43Å; K8-E12 HydrophobicContact CD-CG 4.45Å; K8-E12 HydrophobicContact CG-CG 4.44Å; K9-E12 WeakPolarHBondContact O-CA 3.44Å; K9-E12 WeakPolarHBondContact O-CB 3.46Å; K9-E12 PolarHBondContact O-N 3.26Å; D10-E12 VanDerWaalsContact C-N 3.33Å; D10-E12 PolarHBondContact O-N 2.92Å; E12-A15 PolarHBondContact O-N 2.99Å; E12-E16 WeakPolarHBondContact O-CG 3.11Å; E12-E16 PolarHBondContact O-N 3.46Å
13	I	86.4	Confident	77.9	Confident	45 Å²	45	98.9 Å²	98.9	23%	0.231	49%	0.493	C	S	.	.	H	α-helix	trans	-66.3	-42.6	178.7	-53.4	173.7	0	0	0	110.6	K8 K9 D10 E16 Y17 M164	K8-I13 HydrophobicContact CB-CD1 3.98Å; K8-I13 HydrophobicContact CB-CG1 3.69Å; K8-I13 HydrophobicContact CD-CG1 4.07Å; K9-I13 PolarHBondContact O-N 2.86Å; D10-I13 PolarHBondContact O-N 3.25Å; I13-E16 PolarHBondContact O-N 3.38Å; I13-Y17 WeakPolarHBondContact O-CB 3.2Å; I13-Y17 PolarHBondContact O-N 3.4Å; I13-M164 HydrophobicContact CG2-SD 3.8Å
14	I	88.1	Confident	80.5	Confident	19 Å²	19	94.8 Å²	94.8	10%	0.097	46%	0.462	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.8	-75.1	175.5	0	0	0	111.1	D10 Y17 E18 Y161 M164	D10-I14 WeakPolarHBondContact O-CB 3.24Å; D10-I14 WeakPolarHBondContact O-CG1 3.46Å; D10-I14 PolarHBondContact O-N 2.94Å; D10-I14 VanDerWaalsContact OD1-CD1 3.24Å; D10-I14 WeakPolarHBondContact OD1-CD1 3.49Å; I14-Y17 PolarHBondContact O-N 3.47Å; I14-E18 HydrophobicContact CG2-CG 4.28Å; I14-E18 WeakPolarHBondContact CG2-OE1 3.46Å; I14-E18 WeakPolarHBondContact O-CB 3.29Å; I14-E18 WeakPolarHBondContact O-CG 3.32Å; I14-E18 PolarHBondContact O-N 2.8Å; I14-Y161 HydrophobicContact CG2-CE2 4.03Å; I14-M164 HydrophobicContact CG1-CE 4.19Å
15	A	88.4	Confident	83.2	Confident	55 Å²	55	91.2 Å²	91.2	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-67.9	-38.6	179.7	0	0	0	0	0	113.2	K11 E12 Y17 A19	K11-A15 VanDerWaalsContact O-CB 3.27Å; K11-A15 WeakPolarHBondContact O-CB 3.03Å; K11-A15 PolarHBondContact O-N 3.39Å; K11-A15 VanDerWaalsContact O-N 3.13Å; E12-A15 PolarHBondContact O-N 2.99Å; A15-Y17 VanDerWaalsContact C-N 3.33Å; A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 3.07Å
16	E	91.1	Very high	85.6	Confident	88 Å²	88	88 Å²	88	41%	0.411	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-42.1	172.4	-73	174.1	151	0	0	111.5	K8 E12 I13 A19 Q20	K8-E16 WeakPolarHBondContact CE-OE1 3.48Å; K8-E16 IonicContact NZ-OE1 2.65Å; K8-E16 PolarHBondContact NZ-OE1 3.15Å; K8-E16 IonicContact NZ-OE2 2.62Å; K8-E16 PolarHBondContact NZ-OE2 2.6Å; E12-E16 WeakPolarHBondContact O-CG 3.11Å; E12-E16 PolarHBondContact O-N 3.46Å; I13-E16 PolarHBondContact O-N 3.38Å; E16-A19 PolarHBondContact O-N 3.4Å; E16-Q20 PolarHBondContact O-N 2.92Å; E16-Q20 VanDerWaalsContact O-N 3.1Å
17	Y	92.7	Very high	87.7	Confident	25 Å²	25	84.2 Å²	84.2	10%	0.098	41%	0.406	C	S	.	.	H	α-helix	trans	-68.1	-46.2	177.9	-175.6	-93.1	0	0	0	112.6	I13 I14 A15 A19 Q20 I21 T157 L160 Y161 M164	I13-Y17 WeakPolarHBondContact O-CB 3.2Å; I13-Y17 PolarHBondContact O-N 3.4Å; I14-Y17 PolarHBondContact O-N 3.47Å; A15-Y17 VanDerWaalsContact C-N 3.33Å; Y17-A19 PolarHBondContact O-N 3.09Å; Y17-Q20 PolarHBondContact O-N 3.31Å; Y17-Q20 VanDerWaalsContact O-N 3.11Å; Y17-I21 HydrophobicContact CD1-CG1 3.95Å; Y17-I21 HydrophobicContact CE1-CD1 4.13Å; Y17-I21 HydrophobicContact CE1-CG1 3.43Å; Y17-I21 VanDerWaalsContact CE1-CG1 3.43Å; Y17-I21 HydrophobicContact CE2-CD1 4.27Å; Y17-I21 HydrophobicContact CE2-CG1 4.28Å; Y17-I21 WeakPolarHBondContact O-CG1 3.15Å; Y17-I21 PolarHBondContact O-N 3.42Å; Y17-T157 WeakPolarHBondContact OH-CA 3.28Å; Y17-T157 WeakPolarHBondContact OH-CB 3.39Å; Y17-T157 PolarHBondContact OH-O 2.76Å; Y17-L160 HydrophobicContact CE2-CD2 3.85Å; Y17-L160 HydrophobicContact CE2-CG 4.36Å; Y17-Y161 AromaticContact CD1-CD2 3.8Å; Y17-Y161 HydrophobicContact CD1-CD2 3.8Å; Y17-Y161 AromaticContact CE1-CD2 3.96Å; Y17-Y161 HydrophobicContact CE1-CD2 3.96Å; Y17-Y161 HydrophobicContact CE1-CG 4.48Å; Y17-M164 HydrophobicContact CD1-CE 4.15Å; Y17-M164 HydrophobicContact CD2-CE 4.41Å; Y17-M164 HydrophobicContact CG-CE 3.89Å
18	E	92	Very high	89.1	Confident	93 Å²	93	76 Å²	76	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-33.3	176.6	-74.1	172.7	-177.4	0	0	111.7	I14 K22 Y161	I14-E18 HydrophobicContact CG2-CG 4.28Å; I14-E18 WeakPolarHBondContact CG2-OE1 3.46Å; I14-E18 WeakPolarHBondContact O-CB 3.29Å; I14-E18 WeakPolarHBondContact O-CG 3.32Å; I14-E18 PolarHBondContact O-N 2.8Å; E18-K22 WeakPolarHBondContact O-CB 3.36Å; E18-K22 PolarHBondContact O-N 2.78Å; E18-Y161 HydrophobicContact CG-CE2 3.92Å; E18-Y161 WeakPolarHBondContact OE1-CE2 3.48Å; E18-Y161 PolarHBondContact OE1-OH 2.88Å
19	A	94	Very high	90.3	Very high	59 Å²	59	76 Å²	76	49%	0.488	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-46.2	171	0	0	0	0	0	112.5	A15 E16 Y17 I21 K22 E23	A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 3.07Å; E16-A19 PolarHBondContact O-N 3.4Å; Y17-A19 PolarHBondContact O-N 3.09Å; A19-I21 PolarHBondContact O-N 3.35Å; A19-K22 WeakPolarHBondContact O-CB 3.47Å; A19-K22 PolarHBondContact O-N 2.95Å; A19-E23 PolarHBondContact O-N 3.44Å
20	Q	93.8	Very high	91.4	Very high	110 Å²	110	73.4 Å²	73.4	51%	0.514	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-40.9	177.5	-170.1	-179.9	13.9	0	0	112.2	E16 Y17 K22 E23 I24	E16-Q20 PolarHBondContact O-N 2.92Å; E16-Q20 VanDerWaalsContact O-N 3.1Å; Y17-Q20 PolarHBondContact O-N 3.31Å; Y17-Q20 VanDerWaalsContact O-N 3.11Å; Q20-K22 VanDerWaalsContact C-N 3.34Å; Q20-E23 WeakPolarHBondContact O-CB 3.37Å; Q20-E23 PolarHBondContact O-N 3.09Å; Q20-I24 HydrophobicContact CG-CD1 4.37Å; Q20-I24 WeakPolarHBondContact O-CG1 3.41Å; Q20-I24 PolarHBondContact O-N 3.1Å
21	I	94.5	Very high	92.3	Very high	14 Å²	14	72.2 Å²	72.2	7%	0.072	36%	0.359	C	S	.	.	H	α-helix	trans	-68.4	-32.7	175.9	-63.2	-49.2	0	0	0	111.8	Y17 A19 I24 R25 T157	Y17-I21 HydrophobicContact CD1-CG1 3.95Å; Y17-I21 HydrophobicContact CE1-CD1 4.13Å; Y17-I21 HydrophobicContact CE1-CG1 3.43Å; Y17-I21 VanDerWaalsContact CE1-CG1 3.43Å; Y17-I21 HydrophobicContact CE2-CD1 4.27Å; Y17-I21 HydrophobicContact CE2-CG1 4.28Å; Y17-I21 WeakPolarHBondContact O-CG1 3.15Å; Y17-I21 PolarHBondContact O-N 3.42Å; A19-I21 PolarHBondContact O-N 3.35Å; I21-I24 HydrophobicContact CD1-CD1 4.21Å; I21-R25 WeakPolarHBondContact O-CB 3.5Å; I21-R25 VanDerWaalsContact O-CG 3.26Å; I21-R25 WeakPolarHBondContact O-CG 3.42Å; I21-R25 PolarHBondContact O-N 2.86Å; I21-T157 HydrophobicContact CD1-CG2 3.59Å
22	K	94.6	Very high	93	Very high	151 Å²	151	64.8 Å²	64.8	66%	0.657	33%	0.326	S	S	*	.	H	α-helix	trans	-65.2	-40.8	171	-173.8	-176.2	177.1	-173.1	0	111.6	E18 A19 Q20 R25 T26	E18-K22 WeakPolarHBondContact O-CB 3.36Å; E18-K22 PolarHBondContact O-N 2.78Å; A19-K22 WeakPolarHBondContact O-CB 3.47Å; A19-K22 PolarHBondContact O-N 2.95Å; Q20-K22 VanDerWaalsContact C-N 3.34Å; K22-R25 PolarHBondContact O-N 3.22Å; K22-T26 PolarHBondContact O-N 2.76Å; K22-T26 PolarHBondContact O-OG1 3.08Å
23	E	95.1	Very high	93.5	Very high	115 Å²	115	66.5 Å²	66.5	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-50.8	175.8	-167.8	-173.7	158.2	0	0	111.2	A19 Q20 R25 T26 Q27	A19-E23 PolarHBondContact O-N 3.44Å; Q20-E23 WeakPolarHBondContact O-CB 3.37Å; Q20-E23 PolarHBondContact O-N 3.09Å; E23-R25 PolarHBondContact O-N 3.32Å; E23-T26 WeakPolarHBondContact O-CA 3.18Å; E23-T26 WeakPolarHBondContact O-CB 3.33Å; E23-T26 PolarHBondContact O-N 3.15Å; E23-Q27 WeakPolarHBondContact O-CG 3.26Å; E23-Q27 PolarHBondContact O-N 3.25Å; E23-Q27 PolarHBondContact OE1-NE2 2.69Å; E23-Q27 VanDerWaalsContact OE1-NE2 3.15Å
24	I	94.3	Very high	93.9	Very high	17 Å²	17	68 Å²	68	9%	0.087	35%	0.346	C	S	.	.	H	α-helix	trans	-56	-49.7	176.1	-68.9	168.4	0	0	0	110.6	Q20 I21 T26 Q27 L28 I254	Q20-I24 HydrophobicContact CG-CD1 4.37Å; Q20-I24 WeakPolarHBondContact O-CG1 3.41Å; Q20-I24 PolarHBondContact O-N 3.1Å; I21-I24 HydrophobicContact CD1-CD1 4.21Å; I24-T26 PolarHBondContact O-N 3.17Å; I24-Q27 PolarHBondContact O-N 3.19Å; I24-Q27 VanDerWaalsContact O-N 3.09Å; I24-L28 HydrophobicContact CG2-CD1 4.17Å; I24-L28 HydrophobicContact CG2-CG 4.27Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.32Å; I24-I254 HydrophobicContact CD1-CD1 4.28Å
25	R	94.4	Very high	94.2	Very high	111 Å²	111	68 Å²	68	42%	0.419	35%	0.347	S	S	.	.	H	α-helix	trans	-55.9	-34	175.9	-76.9	172.1	-169.9	-167	4.2	113.3	I21 K22 E23 V29 L154 N158	I21-R25 WeakPolarHBondContact O-CB 3.5Å; I21-R25 VanDerWaalsContact O-CG 3.26Å; I21-R25 WeakPolarHBondContact O-CG 3.42Å; I21-R25 PolarHBondContact O-N 2.86Å; K22-R25 PolarHBondContact O-N 3.22Å; E23-R25 PolarHBondContact O-N 3.32Å; R25-V29 WeakPolarHBondContact O-CG2 3.47Å; R25-V29 PolarHBondContact O-N 2.87Å; R25-L154 HydrophobicContact CG-CD2 3.55Å; R25-N158 PolarHBondContact NH2-OD1 3.18Å
26	T	96.4	Very high	94.6	Very high	72 Å²	72	68.4 Å²	68.4	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-72.3	-46.3	177	-50.6	0	0	0	0	110.3	K22 E23 I24 L28 V29 E30	K22-T26 PolarHBondContact O-N 2.76Å; K22-T26 PolarHBondContact O-OG1 3.08Å; E23-T26 WeakPolarHBondContact O-CA 3.18Å; E23-T26 WeakPolarHBondContact O-CB 3.33Å; E23-T26 PolarHBondContact O-N 3.15Å; I24-T26 PolarHBondContact O-N 3.17Å; T26-L28 PolarHBondContact O-N 3.03Å; T26-V29 PolarHBondContact O-N 3.12Å; T26-E30 PolarHBondContact O-N 3.03Å
27	Q	96	Very high	94.8	Very high	73 Å²	73	70.3 Å²	70.3	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-59.7	-41.5	176.7	-65.8	178.5	12.1	0	0	112.7	E23 I24 V29 E30 Q31 Y258	E23-Q27 WeakPolarHBondContact O-CG 3.26Å; E23-Q27 PolarHBondContact O-N 3.25Å; E23-Q27 PolarHBondContact OE1-NE2 2.69Å; E23-Q27 VanDerWaalsContact OE1-NE2 3.15Å; I24-Q27 PolarHBondContact O-N 3.19Å; I24-Q27 VanDerWaalsContact O-N 3.09Å; Q27-V29 VanDerWaalsContact C-N 3.31Å; Q27-V29 PolarHBondContact O-N 3.45Å; Q27-E30 PolarHBondContact O-N 2.85Å; Q27-Q31 WeakPolarHBondContact O-CB 3.48Å; Q27-Q31 VanDerWaalsContact O-CG 3.25Å; Q27-Q31 WeakPolarHBondContact O-CG 3.27Å; Q27-Q31 PolarHBondContact O-N 3.01Å; Q27-Y258 PolarHBondContact OE1-OH 3.26Å
28	L	95.4	Very high	94.9	Very high	4 Å²	4	71.9 Å²	71.9	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-38.2	176.4	-66.6	179.7	0	0	0	112.5	I24 T26 F32 H150 L153 L154 Y257	I24-L28 HydrophobicContact CG2-CD1 4.17Å; I24-L28 HydrophobicContact CG2-CG 4.27Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.32Å; T26-L28 PolarHBondContact O-N 3.03Å; L28-F32 PolarHBondContact O-N 2.88Å; L28-H150 HydrophobicContact CD1-CB 4.31Å; L28-H150 PolarHBondContact O-CE1 3.34Å; L28-L153 HydrophobicContact CD1-CD2 4.36Å; L28-L153 HydrophobicContact CD2-CD2 4.2Å; L28-L154 HydrophobicContact CD1-CD2 4.48Å; L28-Y257 HydrophobicContact CD2-CD1 4.28Å; L28-Y257 HydrophobicContact CD2-CE1 3.41Å; L28-Y257 VanDerWaalsContact CD2-CE1 3.41Å
29	V	95.8	Very high	95	Very high	80 Å²	80	67.8 Å²	67.8	49%	0.485	34%	0.338	S	S	.	.	H	α-helix	trans	-71	-44	176.9	170.1	0	0	0	0	111.5	R25 T26 Q27 Q31 F32 K33	R25-V29 WeakPolarHBondContact O-CG2 3.47Å; R25-V29 PolarHBondContact O-N 2.87Å; T26-V29 PolarHBondContact O-N 3.12Å; Q27-V29 VanDerWaalsContact C-N 3.31Å; Q27-V29 PolarHBondContact O-N 3.45Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; V29-Q31 PolarHBondContact O-N 3.23Å; V29-F32 PolarHBondContact O-N 3.36Å; V29-K33 PolarHBondContact O-N 3.22Å; V29-K33 VanDerWaalsContact O-N 3.13Å
30	E	96.7	Very high	95.2	Very high	93 Å²	93	70.7 Å²	70.7	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-33.7	177.6	-58.4	-48.5	128.2	0	0	112.3	T26 Q27 F32 K33 C34	T26-E30 PolarHBondContact O-N 3.03Å; Q27-E30 PolarHBondContact O-N 2.85Å; E30-F32 VanDerWaalsContact C-N 3.33Å; E30-F32 PolarHBondContact O-N 3.46Å; E30-K33 PolarHBondContact O-N 3.42Å; E30-K33 IonicContact OE1-NZ 3.16Å; E30-K33 PolarHBondContact OE1-NZ 3.01Å; E30-K33 WeakPolarHBondContact OE2-CD 3.45Å; E30-K33 IonicContact OE2-NZ 3.56Å; E30-K33 PolarHBondContact OE2-NZ 2.84Å; E30-C34 WeakPolarHBondContact O-CB 3.26Å; E30-C34 PolarHBondContact O-N 3.2Å
31	Q	94.7	Very high	95.3	Very high	47 Å²	47	68.8 Å²	68.8	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-56.7	-45.8	171.1	-78.9	170.5	-0.6	0	0	111.3	Q27 V29 C34 L35 Y257	Q27-Q31 WeakPolarHBondContact O-CB 3.48Å; Q27-Q31 VanDerWaalsContact O-CG 3.25Å; Q27-Q31 WeakPolarHBondContact O-CG 3.27Å; Q27-Q31 PolarHBondContact O-N 3.01Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; V29-Q31 PolarHBondContact O-N 3.23Å; Q31-C34 WeakPolarHBondContact O-CB 3.28Å; Q31-C34 PolarHBondContact O-N 3.38Å; Q31-L35 WeakPolarHBondContact O-CG 3.41Å; Q31-L35 PolarHBondContact O-N 3.18Å; Q31-L35 VanDerWaalsContact O-N 3.14Å; Q31-Y257 PolarHBondContact OE1-OH 2.94Å
32	F	93.3	Very high	95.4	Very high	19 Å²	19	69.7 Å²	69.7	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-38.6	178.5	-98.7	-42.8	0	0	0	113.7	L28 V29 E30 C34 L35 E36 K143 L147 H150	L28-F32 PolarHBondContact O-N 2.88Å; V29-F32 PolarHBondContact O-N 3.36Å; E30-F32 VanDerWaalsContact C-N 3.33Å; E30-F32 PolarHBondContact O-N 3.46Å; F32-C34 VanDerWaalsContact C-N 3.28Å; F32-C34 PolarHBondContact O-N 3.35Å; F32-L35 HydrophobicContact CD1-CD1 4.28Å; F32-L35 PolarHBondContact O-N 3.26Å; F32-E36 WeakPolarHBondContact O-CB 3.48Å; F32-E36 PolarHBondContact O-N 3.43Å; F32-K143 HydrophobicContact CD1-CG 4.26Å; F32-K143 HydrophobicContact CE1-CB 4.36Å; F32-K143 HydrophobicContact CE1-CG 3.87Å; F32-K143 HydrophobicContact CZ-CG 4.24Å; F32-K143 WeakPolarHBondContact CZ-O 3.46Å; F32-L147 HydrophobicContact CD2-CD2 4.4Å; F32-L147 HydrophobicContact CE2-CD2 3.74Å; F32-L147 HydrophobicContact CE2-CG 3.76Å; F32-L147 HydrophobicContact CZ-CD2 4.46Å; F32-L147 HydrophobicContact CZ-CG 3.98Å; F32-H150 AromaticContact CD2-CE1 2.75Å; F32-H150 WeakPolarHBondContact CD2-CE1 3.26Å; F32-H150 AromaticContact CD2-ND1 3.66Å; F32-H150 AromaticContact CE2-CE1 3.18Å; F32-H150 WeakPolarHBondContact CE2-CE1 3.35Å; F32-H150 AromaticContact CE2-ND1 3.47Å; F32-H150 WeakPolarHBondContact CE2-ND1 3.32Å; F32-H150 AromaticContact CG-CE1 3.45Å; F32-H150 VanDerWaalsContact CG-CE1 3.45Å; F32-H150 WeakPolarHBondContact CG-CE1 3.42Å
33	K	95.6	Very high	95.6	Very high	106 Å²	106	63.9 Å²	63.9	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-39.5	173.1	-68.1	176.7	-171.4	167	0	112	V29 E30 E36 Q37	V29-K33 PolarHBondContact O-N 3.22Å; V29-K33 VanDerWaalsContact O-N 3.13Å; E30-K33 PolarHBondContact O-N 3.42Å; E30-K33 IonicContact OE1-NZ 3.16Å; E30-K33 PolarHBondContact OE1-NZ 3.01Å; E30-K33 WeakPolarHBondContact OE2-CD 3.45Å; E30-K33 IonicContact OE2-NZ 3.56Å; E30-K33 PolarHBondContact OE2-NZ 2.84Å; K33-E36 PolarHBondContact O-N 2.7Å; K33-Q37 VanDerWaalsContact O-CB 3.29Å; K33-Q37 WeakPolarHBondContact O-CB 3.46Å; K33-Q37 PolarHBondContact O-N 3.48Å
34	C	95.9	Very high	95.7	Very high	76 Å²	76	63.1 Å²	63.1	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-45.9	177.9	-173.7	0	0	0	0	111.6	E30 Q31 F32 Q38	E30-C34 WeakPolarHBondContact O-CB 3.26Å; E30-C34 PolarHBondContact O-N 3.2Å; Q31-C34 WeakPolarHBondContact O-CB 3.28Å; Q31-C34 PolarHBondContact O-N 3.38Å; F32-C34 VanDerWaalsContact C-N 3.28Å; F32-C34 PolarHBondContact O-N 3.35Å; C34-Q38 VanDerWaalsContact O-CB 3.29Å; C34-Q38 WeakPolarHBondContact O-CB 3.38Å; C34-Q38 PolarHBondContact O-N 3.38Å
35	L	94.4	Very high	95.9	Very high	21 Å²	21	66 Å²	66	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-37.4	175.7	-64.3	173.6	0	0	0	112.6	Q31 F32 Q38 S39 F139 L265 I266	Q31-L35 WeakPolarHBondContact O-CG 3.41Å; Q31-L35 PolarHBondContact O-N 3.18Å; Q31-L35 VanDerWaalsContact O-N 3.14Å; F32-L35 HydrophobicContact CD1-CD1 4.28Å; F32-L35 PolarHBondContact O-N 3.26Å; L35-Q38 PolarHBondContact O-N 3.38Å; L35-S39 PolarHBondContact O-N 3.09Å; L35-F139 HydrophobicContact CB-CE2 4.1Å; L35-L265 HydrophobicContact CD1-CD2 4.19Å; L35-I266 HydrophobicContact CD2-CG1 3.81Å
36	E	95.3	Very high	96.1	Very high	63 Å²	63	60.8 Å²	60.8	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-51.4	175.8	-169.2	131.6	-115.4	0	0	111.1	F32 K33 Q38 S39 E40 F139 K143	F32-E36 WeakPolarHBondContact O-CB 3.48Å; F32-E36 PolarHBondContact O-N 3.43Å; K33-E36 PolarHBondContact O-N 2.7Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 3.31Å; E36-S39 WeakPolarHBondContact O-CB 3.32Å; E36-S39 PolarHBondContact O-N 3.46Å; E36-E40 WeakPolarHBondContact O-CG 3.16Å; E36-E40 PolarHBondContact O-N 3.08Å; E36-F139 VanDerWaalsContact CA-CZ 3.48Å; E36-F139 HydrophobicContact CB-CE1 4.44Å; E36-F139 HydrophobicContact CB-CZ 3.78Å; E36-F139 HydrophobicContact CG-CE1 4.24Å; E36-F139 HydrophobicContact CG-CZ 4.06Å; E36-F139 WeakPolarHBondContact OE1-CE1 3.41Å; E36-K143 IonicContact OE1-NZ 3.68Å; E36-K143 PolarHBondContact OE1-NZ 3.01Å; E36-K143 IonicContact OE2-NZ 2.8Å; E36-K143 PolarHBondContact OE2-NZ 3.46Å
37	Q	96.7	Very high	96.2	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.593	31%	0.313	S	S	*	.	H	α-helix	trans	-59.8	-36.3	175.1	-172.9	-179.2	9.5	0	0	112.3	K33 S41	K33-Q37 VanDerWaalsContact O-CB 3.29Å; K33-Q37 WeakPolarHBondContact O-CB 3.46Å; K33-Q37 PolarHBondContact O-N 3.48Å; Q37-S41 VanDerWaalsContact O-CB 3.29Å; Q37-S41 WeakPolarHBondContact O-CB 3.47Å; Q37-S41 PolarHBondContact O-N 3.02Å; Q37-S41 PolarHBondContact O-OG 3.17Å
38	Q	93.9	Very high	96.3	Very high	58 Å²	58	63 Å²	63	27%	0.271	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-38.7	174.7	-176.4	-178.9	-1.7	0	0	111.8	C34 L35 E36 R42	C34-Q38 VanDerWaalsContact O-CB 3.29Å; C34-Q38 WeakPolarHBondContact O-CB 3.38Å; C34-Q38 PolarHBondContact O-N 3.38Å; L35-Q38 PolarHBondContact O-N 3.38Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 3.31Å; Q38-R42 WeakPolarHBondContact O-CG 3.32Å; Q38-R42 PolarHBondContact O-N 3.34Å
39	S	95.1	Very high	96.5	Very high	8 Å²	8	64 Å²	64	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-67.4	-45.6	173.6	-171.3	0	0	0	0	111.7	L35 E36 R42 L43	L35-S39 PolarHBondContact O-N 3.09Å; E36-S39 WeakPolarHBondContact O-CB 3.32Å; E36-S39 PolarHBondContact O-N 3.46Å; S39-R42 PolarHBondContact O-N 3.48Å; S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.36Å
40	E	96.9	Very high	96.6	Very high	120 Å²	120	61.5 Å²	61.5	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-59.8	-46.1	176.3	-70.7	172.3	165.4	0	0	111.5	E36 R42 L43 Q44	E36-E40 WeakPolarHBondContact O-CG 3.16Å; E36-E40 PolarHBondContact O-N 3.08Å; E40-R42 VanDerWaalsContact C-N 3.27Å; E40-R42 PolarHBondContact O-N 3.36Å; E40-L43 PolarHBondContact O-N 3.15Å; E40-L43 VanDerWaalsContact O-N 3.08Å; E40-Q44 PolarHBondContact O-N 3.1Å
41	S	96.9	Very high	96.7	Very high	70 Å²	70	62.1 Å²	62.1	49%	0.49	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-34.3	178.2	-57.7	0	0	0	0	112.7	Q37 L45	Q37-S41 VanDerWaalsContact O-CB 3.29Å; Q37-S41 WeakPolarHBondContact O-CB 3.47Å; Q37-S41 PolarHBondContact O-N 3.02Å; Q37-S41 PolarHBondContact O-OG 3.17Å; S41-L45 PolarHBondContact O-N 3.34Å; S41-L45 VanDerWaalsContact O-N 3.16Å
42	R	96.2	Very high	96.9	Very high	32 Å²	32	65.4 Å²	65.4	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-72.1	-38.1	173.7	-74.9	171.5	175.7	153.9	-4.1	112.4	Q38 S39 E40 L45 L46 D270 F273	Q38-R42 WeakPolarHBondContact O-CG 3.32Å; Q38-R42 PolarHBondContact O-N 3.34Å; S39-R42 PolarHBondContact O-N 3.48Å; E40-R42 VanDerWaalsContact C-N 3.27Å; E40-R42 PolarHBondContact O-N 3.36Å; R42-L45 PolarHBondContact O-N 3.48Å; R42-L46 VanDerWaalsContact O-CG 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.32Å; R42-L46 PolarHBondContact O-N 3Å; R42-D270 IonicContact CZ-OD1 2.62Å; R42-D270 IonicContact CZ-OD2 2.61Å; R42-D270 IonicContact NH1-OD1 2.72Å; R42-D270 PolarHBondContact NH1-OD1 3.13Å; R42-D270 IonicContact NH1-OD2 2.94Å; R42-D270 IonicContact NH2-OD1 2.71Å; R42-D270 PolarHBondContact NH2-OD1 3.48Å; R42-D270 IonicContact NH2-OD2 2.68Å; R42-D270 PolarHBondContact NH2-OD2 3.39Å; R42-F273 HydrophobicContact CB-CE2 4.39Å; R42-F273 HydrophobicContact CB-CZ 4.29Å; R42-F273 HydrophobicContact CG-CE1 4.18Å; R42-F273 HydrophobicContact CG-CE2 4.44Å; R42-F273 HydrophobicContact CG-CZ 3.95Å
43	L	98.1	Very high	97.2	Very high	30 Å²	30	64.7 Å²	64.7	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-67.7	-37.2	176.8	-69.3	168.6	0	0	0	111.4	S39 E40 L46 Q47 S132 V135 I136	S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.36Å; E40-L43 PolarHBondContact O-N 3.15Å; E40-L43 VanDerWaalsContact O-N 3.08Å; L43-L46 HydrophobicContact CD2-CD1 4.47Å; L43-L46 PolarHBondContact O-N 2.8Å; L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.44Å; L43-Q47 PolarHBondContact O-N 3.05Å; L43-S132 WeakPolarHBondContact CD2-O 3.45Å; L43-V135 HydrophobicContact CD1-CG1 4.44Å; L43-V135 HydrophobicContact CD2-CB 4.11Å; L43-V135 HydrophobicContact CD2-CG1 3.96Å; L43-V135 HydrophobicContact CG-CG1 3.98Å; L43-I136 HydrophobicContact CD1-CD1 4.38Å; L43-I136 HydrophobicContact CD1-CG1 3.71Å; L43-I136 HydrophobicContact CD2-CD1 4.17Å; L43-I136 HydrophobicContact CD2-CG1 3.86Å; L43-I136 HydrophobicContact CG-CG1 4.46Å
44	Q	98.4	Very high	97.3	Very high	98 Å²	98	63.4 Å²	63.4	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-52.4	170.7	-170.5	62.1	59.1	0	0	111.1	E40 L46 Q47 D48	E40-Q44 PolarHBondContact O-N 3.1Å; Q44-L46 PolarHBondContact O-N 2.97Å; Q44-Q47 WeakPolarHBondContact O-CA 3.19Å; Q44-Q47 WeakPolarHBondContact O-CB 3.24Å; Q44-Q47 PolarHBondContact O-N 3.13Å; Q44-D48 PolarHBondContact NE2-OD1 3.31Å; Q44-D48 PolarHBondContact O-N 2.97Å
45	L	98.2	Very high	97.4	Very high	79 Å²	79	65.7 Å²	65.7	41%	0.414	31%	0.311	S	S	.	.	H	α-helix	trans	-55.5	-38.4	177.1	175.7	63	0	0	0	112.8	S41 R42 L49	S41-L45 PolarHBondContact O-N 3.34Å; S41-L45 VanDerWaalsContact O-N 3.16Å; R42-L45 PolarHBondContact O-N 3.48Å; L45-L49 HydrophobicContact CD1-CD1 4.17Å; L45-L49 HydrophobicContact CD1-CG 4.3Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 WeakPolarHBondContact O-CB 3Å; L45-L49 WeakPolarHBondContact O-CD1 3.43Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.91Å
46	L	98.6	Very high	97.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.7	-32.2	176.2	-70.2	167.3	0	0	0	112.7	R42 L43 Q44 Q50 L128 I131 S132 V135 F273 L277	R42-L46 VanDerWaalsContact O-CG 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.32Å; R42-L46 PolarHBondContact O-N 3Å; L43-L46 HydrophobicContact CD2-CD1 4.47Å; L43-L46 PolarHBondContact O-N 2.8Å; Q44-L46 PolarHBondContact O-N 2.97Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.35Å; L46-Q50 PolarHBondContact O-N 3.36Å; L46-Q50 VanDerWaalsContact O-N 3.12Å; L46-Q50 PolarHBondContact O-NE2 3.31Å; L46-L128 HydrophobicContact CD2-CD2 3.86Å; L46-I131 HydrophobicContact CD1-CB 4.48Å; L46-I131 HydrophobicContact CD1-CG2 3.85Å; L46-I131 HydrophobicContact CD2-CB 4.29Å; L46-I131 HydrophobicContact CD2-CG2 3.89Å; L46-S132 WeakPolarHBondContact CB-OG 3.19Å; L46-V135 HydrophobicContact CD1-CG2 4.31Å; L46-F273 HydrophobicContact CD1-CE2 4.09Å; L46-F273 HydrophobicContact CD2-CE2 4.3Å; L46-F273 HydrophobicContact CG-CE2 4.32Å; L46-L277 HydrophobicContact CD2-CD1 4.39Å
47	Q	98.5	Very high	97.8	Very high	107 Å²	107	63.5 Å²	63.5	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-48	172.7	-71.3	168.5	33.2	0	0	110.7	L43 Q44 L49 Q50 E51	L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.44Å; L43-Q47 PolarHBondContact O-N 3.05Å; Q44-Q47 WeakPolarHBondContact O-CA 3.19Å; Q44-Q47 WeakPolarHBondContact O-CB 3.24Å; Q44-Q47 PolarHBondContact O-N 3.13Å; Q47-L49 VanDerWaalsContact C-N 3.27Å; Q47-L49 PolarHBondContact O-N 3.34Å; Q47-Q50 WeakPolarHBondContact O-CB 3.28Å; Q47-Q50 PolarHBondContact O-N 3.33Å; Q47-E51 PolarHBondContact O-N 3.47Å
48	D	98.7	Very high	97.9	Very high	85 Å²	85	61.2 Å²	61.2	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-56.6	-42.1	177.6	-56.4	-20.1	0	0	0	111.2	Q44 E51 F52	Q44-D48 PolarHBondContact NE2-OD1 3.31Å; Q44-D48 PolarHBondContact O-N 2.97Å; D48-E51 PolarHBondContact O-N 2.97Å; D48-F52 WeakPolarHBondContact O-CB 3.49Å; D48-F52 PolarHBondContact O-N 3.1Å
49	L	98.7	Very high	98.1	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-36.4	175	-72.3	170.4	0	0	0	113	L45 Q47 F53 L128 L277 F281	L45-L49 HydrophobicContact CD1-CD1 4.17Å; L45-L49 HydrophobicContact CD1-CG 4.3Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 WeakPolarHBondContact O-CB 3Å; L45-L49 WeakPolarHBondContact O-CD1 3.43Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.91Å; Q47-L49 VanDerWaalsContact C-N 3.27Å; Q47-L49 PolarHBondContact O-N 3.34Å; L49-F53 WeakPolarHBondContact O-CB 3.41Å; L49-F53 VanDerWaalsContact O-CD2 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.26Å; L49-F53 PolarHBondContact O-N 3.44Å; L49-L128 HydrophobicContact CB-CD1 3.77Å; L49-L128 HydrophobicContact CB-CD2 4.29Å; L49-L128 HydrophobicContact CD1-CD2 4.27Å; L49-L277 HydrophobicContact CD1-CD1 3.99Å; L49-F281 HydrophobicContact CD1-CE2 4.44Å; L49-F281 HydrophobicContact CD1-CZ 3.99Å; L49-F281 HydrophobicContact CD2-CE1 4.26Å; L49-F281 HydrophobicContact CD2-CZ 3.82Å
50	Q	98.5	Very high	98.3	Very high	27 Å²	27	62.8 Å²	62.8	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-39.6	175.2	-78.9	167.4	94.4	0	0	111.4	L46 Q47 R54 I125 L128 S132	L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.35Å; L46-Q50 PolarHBondContact O-N 3.36Å; L46-Q50 VanDerWaalsContact O-N 3.12Å; L46-Q50 PolarHBondContact O-NE2 3.31Å; Q47-Q50 WeakPolarHBondContact O-CB 3.28Å; Q47-Q50 PolarHBondContact O-N 3.33Å; Q50-R54 WeakPolarHBondContact O-CB 3.36Å; Q50-R54 PolarHBondContact O-N 2.98Å; Q50-I125 HydrophobicContact CG-CG2 4.3Å; Q50-L128 HydrophobicContact CG-CB 3.45Å; Q50-L128 VanDerWaalsContact CG-CB 3.45Å; Q50-L128 HydrophobicContact CG-CD1 3.96Å; Q50-L128 HydrophobicContact CG-CG 4.36Å; Q50-S132 PolarHBondContact NE2-OG 3.01Å
51	E	98.6	Very high	98.3	Very high	106 Å²	106	59.2 Å²	59.2	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-48.6	176.1	-160	58.6	-116.4	0	0	111.3	Q47 D48 F53 R54 R55	Q47-E51 PolarHBondContact O-N 3.47Å; D48-E51 PolarHBondContact O-N 2.97Å; E51-F53 PolarHBondContact O-N 3.37Å; E51-R54 PolarHBondContact O-N 3.46Å; E51-R54 IonicContact OE1-CZ 3.12Å; E51-R54 IonicContact OE1-NH1 2.73Å; E51-R54 PolarHBondContact OE1-NH1 2.99Å; E51-R54 IonicContact OE2-CZ 3.76Å; E51-R54 IonicContact OE2-NH1 3.48Å; E51-R54 PolarHBondContact OE2-NH1 3.35Å; E51-R55 PolarHBondContact O-N 2.72Å
52	F	98.8	Very high	98.4	Very high	116 Å²	116	61.1 Å²	61.1	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-55.4	-48.8	176.1	174.5	-94.7	0	0	0	112.2	D48 R54 R55 K56	D48-F52 WeakPolarHBondContact O-CB 3.49Å; D48-F52 PolarHBondContact O-N 3.1Å; F52-R54 VanDerWaalsContact C-N 3.35Å; F52-R54 PolarHBondContact O-N 3.32Å; F52-R55 PolarHBondContact O-N 3.01Å; F52-K56 HydrophobicContact CE1-CD 4.45Å; F52-K56 PolarHBondContact O-N 2.63Å
53	F	98.7	Very high	98.5	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-70.9	-28.6	-180	-82	-62.5	0	0	0	113.4	L49 E51 A57 F120 V124 I125 L128 F281 Y284	L49-F53 WeakPolarHBondContact O-CB 3.41Å; L49-F53 VanDerWaalsContact O-CD2 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.26Å; L49-F53 PolarHBondContact O-N 3.44Å; E51-F53 PolarHBondContact O-N 3.37Å; F53-A57 WeakPolarHBondContact O-CB 3.29Å; F53-A57 PolarHBondContact O-N 2.8Å; F53-F120 HydrophobicContact CD1-CD1 4.27Å; F53-F120 HydrophobicContact CD1-CD2 4.49Å; F53-F120 HydrophobicContact CD1-CG 4.23Å; F53-V124 HydrophobicContact CB-CG1 4.25Å; F53-V124 HydrophobicContact CD1-CG1 4.06Å; F53-V124 HydrophobicContact CD2-CG1 3.5Å; F53-V124 VanDerWaalsContact CD2-CG1 3.5Å; F53-V124 HydrophobicContact CE1-CG1 4.34Å; F53-V124 HydrophobicContact CE2-CG1 3.8Å; F53-V124 HydrophobicContact CG-CG1 3.65Å; F53-V124 HydrophobicContact CZ-CG1 4.22Å; F53-I125 HydrophobicContact CB-CD1 4.24Å; F53-I125 HydrophobicContact CB-CG1 3.86Å; F53-L128 HydrophobicContact CD2-CD1 3.98Å; F53-F281 HydrophobicContact CE2-CE1 4.29Å; F53-F281 HydrophobicContact CZ-CE1 4.47Å; F53-Y284 AromaticContact CE1-CD2 3.4Å; F53-Y284 HydrophobicContact CE1-CD2 3.4Å; F53-Y284 AromaticContact CE1-CE2 3.75Å; F53-Y284 HydrophobicContact CE1-CE2 3.75Å; F53-Y284 HydrophobicContact CE1-CG 4.04Å; F53-Y284 AromaticContact CZ-CD2 3.85Å; F53-Y284 HydrophobicContact CZ-CD2 3.85Å; F53-Y284 HydrophobicContact CZ-CE2 4.33Å; F53-Y284 HydrophobicContact CZ-CG 4.01Å
54	R	98.6	Very high	98.6	Very high	79 Å²	79	63.3 Å²	63.3	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-50	172.3	-165.7	-175.5	-53.8	110.6	5.1	110.5	Q50 E51 F52 K56 A57 E58 M121 I125	Q50-R54 WeakPolarHBondContact O-CB 3.36Å; Q50-R54 PolarHBondContact O-N 2.98Å; E51-R54 PolarHBondContact O-N 3.46Å; E51-R54 IonicContact OE1-CZ 3.12Å; E51-R54 IonicContact OE1-NH1 2.73Å; E51-R54 PolarHBondContact OE1-NH1 2.99Å; E51-R54 IonicContact OE2-CZ 3.76Å; E51-R54 IonicContact OE2-NH1 3.48Å; E51-R54 PolarHBondContact OE2-NH1 3.35Å; F52-R54 VanDerWaalsContact C-N 3.35Å; F52-R54 PolarHBondContact O-N 3.32Å; R54-K56 VanDerWaalsContact C-N 3.34Å; R54-K56 PolarHBondContact O-N 2.91Å; R54-A57 WeakPolarHBondContact O-CB 3.46Å; R54-A57 PolarHBondContact O-N 2.97Å; R54-A57 VanDerWaalsContact O-N 3.14Å; R54-E58 WeakPolarHBondContact O-CG 3.25Å; R54-E58 PolarHBondContact O-N 3.18Å; R54-M121 HydrophobicContact CG-SD 4.18Å; R54-I125 HydrophobicContact CB-CD1 3.87Å; R54-I125 HydrophobicContact CG-CD1 4.44Å
55	R	98.7	Very high	98.6	Very high	123 Å²	123	65.9 Å²	65.9	46%	0.464	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-32.7	179.3	-171.4	58.8	-168.9	152.4	10	112.6	E51 F52 E58 I59	E51-R55 PolarHBondContact O-N 2.72Å; F52-R55 PolarHBondContact O-N 3.01Å; R55-E58 WeakPolarHBondContact CD-OE2 3.46Å; R55-E58 IonicContact CZ-OE2 3.21Å; R55-E58 IonicContact NE-OE2 3.21Å; R55-E58 IonicContact NH1-OE2 2.62Å; R55-E58 PolarHBondContact NH1-OE2 2.78Å; R55-I59 HydrophobicContact CG-CD1 4.23Å; R55-I59 WeakPolarHBondContact O-CD1 3.48Å; R55-I59 VanDerWaalsContact O-CG1 3.27Å; R55-I59 WeakPolarHBondContact O-CG1 3.19Å; R55-I59 PolarHBondContact O-N 3.07Å
56	K	98.4	Very high	98.6	Very high	39 Å²	39	65.1 Å²	65.1	17%	0.17	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-48.2	169.4	-163	179.1	-167.1	-78.7	0	110.5	F52 R54 E58 I59 E60 F120 Y284 E288	F52-K56 HydrophobicContact CE1-CD 4.45Å; F52-K56 PolarHBondContact O-N 2.63Å; R54-K56 VanDerWaalsContact C-N 3.34Å; R54-K56 PolarHBondContact O-N 2.91Å; K56-E58 PolarHBondContact O-N 3.13Å; K56-I59 WeakPolarHBondContact O-CB 3.45Å; K56-I59 PolarHBondContact O-N 3.47Å; K56-I59 VanDerWaalsContact O-N 3.07Å; K56-E60 WeakPolarHBondContact CE-OE1 3.45Å; K56-E60 IonicContact NZ-OE1 2.96Å; K56-E60 PolarHBondContact NZ-OE1 3.18Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 2.94Å; K56-F120 HydrophobicContact CB-CD2 4.3Å; K56-F120 HydrophobicContact CB-CE2 4.23Å; K56-F120 HydrophobicContact CD-CD2 4.38Å; K56-F120 HydrophobicContact CD-CE2 3.54Å; K56-F120 HydrophobicContact CD-CZ 3.98Å; K56-F120 HydrophobicContact CG-CD2 4.28Å; K56-F120 HydrophobicContact CG-CE2 3.73Å; K56-Y284 HydrophobicContact CD-CE2 4.35Å; K56-E288 IonicContact NZ-OE1 2.65Å; K56-E288 PolarHBondContact NZ-OE1 3.41Å; K56-E288 IonicContact NZ-OE2 2.76Å
57	A	98.5	Very high	98.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-43.9	179.7	0	0	0	0	0	113	F53 R54 I59 E60 L61 N117 F120 M121	F53-A57 WeakPolarHBondContact O-CB 3.29Å; F53-A57 PolarHBondContact O-N 2.8Å; R54-A57 WeakPolarHBondContact O-CB 3.46Å; R54-A57 PolarHBondContact O-N 2.97Å; R54-A57 VanDerWaalsContact O-N 3.14Å; A57-I59 VanDerWaalsContact C-N 3.31Å; A57-I59 PolarHBondContact O-N 3.22Å; A57-E60 PolarHBondContact O-N 3.05Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 PolarHBondContact O-N 3.49Å; A57-N117 HydrophobicContact CB-CB 4.45Å; A57-N117 WeakPolarHBondContact CB-OD1 3.45Å; A57-N117 PolarHBondContact O-OD1 3.26Å; A57-F120 HydrophobicContact CB-CB 3.82Å; A57-F120 HydrophobicContact CB-CD2 4.13Å; A57-M121 HydrophobicContact CB-CG 3.82Å; A57-M121 HydrophobicContact CB-SD 4Å
58	E	98.5	Very high	98.5	Very high	78 Å²	78	63.4 Å²	63.4	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-43.5	173.4	-70.7	166.2	-163.5	0	0	112.3	R54 R55 K56 L61 E62	R54-E58 WeakPolarHBondContact O-CG 3.25Å; R54-E58 PolarHBondContact O-N 3.18Å; R55-E58 WeakPolarHBondContact CD-OE2 3.46Å; R55-E58 IonicContact CZ-OE2 3.21Å; R55-E58 IonicContact NE-OE2 3.21Å; R55-E58 IonicContact NH1-OE2 2.62Å; R55-E58 PolarHBondContact NH1-OE2 2.78Å; K56-E58 PolarHBondContact O-N 3.13Å; E58-L61 PolarHBondContact O-N 2.87Å; E58-E62 WeakPolarHBondContact O-CB 3.28Å; E58-E62 PolarHBondContact O-N 3.24Å
59	I	98.7	Very high	98.5	Very high	81 Å²	81	67 Å²	67	42%	0.415	30%	0.302	S	S	.	.	H	α-helix	trans	-68.3	-42.5	178.1	-66.8	164.7	0	0	0	111.4	R55 K56 A57 L61 E62 Y63	R55-I59 HydrophobicContact CG-CD1 4.23Å; R55-I59 WeakPolarHBondContact O-CD1 3.48Å; R55-I59 VanDerWaalsContact O-CG1 3.27Å; R55-I59 WeakPolarHBondContact O-CG1 3.19Å; R55-I59 PolarHBondContact O-N 3.07Å; K56-I59 WeakPolarHBondContact O-CB 3.45Å; K56-I59 PolarHBondContact O-N 3.47Å; K56-I59 VanDerWaalsContact O-N 3.07Å; A57-I59 VanDerWaalsContact C-N 3.31Å; A57-I59 PolarHBondContact O-N 3.22Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-L61 PolarHBondContact O-N 3.45Å; I59-E62 PolarHBondContact O-N 2.86Å; I59-Y63 WeakPolarHBondContact O-CB 3.23Å; I59-Y63 PolarHBondContact O-N 3.37Å
60	E	98.4	Very high	98.4	Very high	19 Å²	19	69.8 Å²	69.8	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-41	174.2	-57.4	-51	156.6	0	0	111.3	K56 A57 S64 H113 L116 N117 F120	K56-E60 WeakPolarHBondContact CE-OE1 3.45Å; K56-E60 IonicContact NZ-OE1 2.96Å; K56-E60 PolarHBondContact NZ-OE1 3.18Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 2.94Å; A57-E60 PolarHBondContact O-N 3.05Å; E60-S64 WeakPolarHBondContact O-CB 3.48Å; E60-S64 PolarHBondContact O-N 3.43Å; E60-H113 IonicContact OE2-CE1 3.93Å; E60-H113 PolarHBondContact OE2-CE1 3.45Å; E60-H113 IonicContact OE2-CG 3.66Å; E60-H113 IonicContact OE2-ND1 3.18Å; E60-H113 PolarHBondContact OE2-ND1 3.37Å; E60-L116 HydrophobicContact CG-CB 4.44Å; E60-L116 HydrophobicContact CG-CD2 4Å; E60-L116 HydrophobicContact CG-CG 4.16Å; E60-N117 HydrophobicContact CB-CB 4.24Å; E60-F120 HydrophobicContact CG-CD2 4.28Å; E60-F120 HydrophobicContact CG-CE2 3.83Å
61	L	98.6	Very high	98.2	Very high	45 Å²	45	68.5 Å²	68.5	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-71.8	-37.5	-178.9	-173.3	58.5	0	0	0	112.4	A57 E58 I59 R65 N117	A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 PolarHBondContact O-N 3.49Å; E58-L61 PolarHBondContact O-N 2.87Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-L61 PolarHBondContact O-N 3.45Å; L61-R65 WeakPolarHBondContact O-CD 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.22Å; L61-R65 WeakPolarHBondContact O-CG 3.41Å; L61-R65 PolarHBondContact O-N 3Å; L61-N117 HydrophobicContact CB-CB 4.09Å
62	E	98.6	Very high	97.9	Very high	109 Å²	109	68 Å²	68	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-43.5	172.9	-179.4	163.2	-133.6	0	0	111.8	E58 I59 R65 S66	E58-E62 WeakPolarHBondContact O-CB 3.28Å; E58-E62 PolarHBondContact O-N 3.24Å; I59-E62 PolarHBondContact O-N 2.86Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-S66 WeakPolarHBondContact O-CB 3.46Å; E62-S66 PolarHBondContact O-N 3.14Å; E62-S66 PolarHBondContact O-OG 3.39Å
63	Y	98.8	Very high	97.6	Very high	100 Å²	100	70.5 Å²	70.5	39%	0.392	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-47.5	174.3	-174.3	-124.4	0	0	0	111.5	I59 R65 S66 L67 H113	I59-Y63 WeakPolarHBondContact O-CB 3.23Å; I59-Y63 PolarHBondContact O-N 3.37Å; Y63-R65 PolarHBondContact O-N 2.68Å; Y63-S66 WeakPolarHBondContact O-CA 3.41Å; Y63-S66 WeakPolarHBondContact O-CB 3.43Å; Y63-S66 PolarHBondContact O-N 3.44Å; Y63-L67 HydrophobicContact CD1-CD1 4.03Å; Y63-L67 HydrophobicContact CD2-CG 4.44Å; Y63-L67 HydrophobicContact CE1-CD1 3.65Å; Y63-L67 HydrophobicContact CE1-CG 4.28Å; Y63-L67 HydrophobicContact CE2-CD1 4.42Å; Y63-L67 HydrophobicContact CE2-CD2 4.06Å; Y63-L67 HydrophobicContact CE2-CG 4.18Å; Y63-L67 WeakPolarHBondContact O-CG 3.32Å; Y63-L67 PolarHBondContact O-N 2.85Å; Y63-H113 AromaticContact CD1-CD2 3.77Å; Y63-H113 AromaticContact CD1-CE1 3.82Å; Y63-H113 AromaticContact CD1-CG 3.84Å; Y63-H113 AromaticContact CD1-ND1 3.85Å; Y63-H113 AromaticContact CD1-NE2 3.78Å; Y63-H113 AromaticContact CE1-CD2 3.76Å; Y63-H113 AromaticContact CE1-CE1 3.87Å; Y63-H113 AromaticContact CE1-NE2 3.49Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.34Å
64	S	98.7	Very high	97.2	Very high	9 Å²	9	73.7 Å²	73.7	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-51.2	-51.6	173.6	156.4	0	0	0	0	112.9	E60 S66 L67 E68 S110	E60-S64 WeakPolarHBondContact O-CB 3.48Å; E60-S64 PolarHBondContact O-N 3.43Å; S64-S66 VanDerWaalsContact C-N 3.27Å; S64-S66 PolarHBondContact O-N 3.05Å; S64-L67 PolarHBondContact O-N 3.36Å; S64-E68 PolarHBondContact O-N 3.4Å; S64-S110 VanDerWaalsContact CB-O 3.32Å; S64-S110 WeakPolarHBondContact CB-O 3.26Å; S64-S110 PolarHBondContact O-OG 3.44Å; S64-S110 PolarHBondContact OG-O 2.75Å
65	R	98.4	Very high	96.4	Very high	151 Å²	151	70.3 Å²	70.3	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-61.1	-37.3	177.8	-71.6	166.2	-173.8	172.3	3.2	111.7	L61 E62 Y63 K69	L61-R65 WeakPolarHBondContact O-CD 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.22Å; L61-R65 WeakPolarHBondContact O-CG 3.41Å; L61-R65 PolarHBondContact O-N 3Å; E62-R65 PolarHBondContact O-N 3.31Å; Y63-R65 PolarHBondContact O-N 2.68Å; R65-K69 WeakPolarHBondContact O-CB 3.49Å; R65-K69 VanDerWaalsContact O-CG 3.32Å; R65-K69 WeakPolarHBondContact O-CG 3.18Å; R65-K69 PolarHBondContact O-N 2.78Å
66	S	98.6	Very high	95	Very high	63 Å²	63	67 Å²	67	44%	0.441	31%	0.312	S	S	.	.	H	α-helix	trans	-68.9	-39.4	179.2	-58.1	0	0	0	0	111.7	E62 Y63 S64 L70	E62-S66 WeakPolarHBondContact O-CB 3.46Å; E62-S66 PolarHBondContact O-N 3.14Å; E62-S66 PolarHBondContact O-OG 3.39Å; Y63-S66 WeakPolarHBondContact O-CA 3.41Å; Y63-S66 WeakPolarHBondContact O-CB 3.43Å; Y63-S66 PolarHBondContact O-N 3.44Å; S64-S66 VanDerWaalsContact C-N 3.27Å; S64-S66 PolarHBondContact O-N 3.05Å; S66-L70 WeakPolarHBondContact O-CB 3.37Å; S66-L70 PolarHBondContact O-N 3.16Å
67	L	98.4	Very high	93.5	Very high	15 Å²	15	71 Å²	71	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-42.6	173.9	-67.9	-179.3	0	0	0	112.5	Y63 S64 L70 A71 T106 E109	Y63-L67 HydrophobicContact CD1-CD1 4.03Å; Y63-L67 HydrophobicContact CD2-CG 4.44Å; Y63-L67 HydrophobicContact CE1-CD1 3.65Å; Y63-L67 HydrophobicContact CE1-CG 4.28Å; Y63-L67 HydrophobicContact CE2-CD1 4.42Å; Y63-L67 HydrophobicContact CE2-CD2 4.06Å; Y63-L67 HydrophobicContact CE2-CG 4.18Å; Y63-L67 WeakPolarHBondContact O-CG 3.32Å; Y63-L67 PolarHBondContact O-N 2.85Å; S64-L67 PolarHBondContact O-N 3.36Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 3.32Å; L67-A71 PolarHBondContact O-N 2.96Å; L67-T106 HydrophobicContact CB-CG2 4.12Å; L67-T106 HydrophobicContact CD2-CG2 4.05Å; L67-T106 WeakPolarHBondContact O-CG2 3.49Å; L67-E109 HydrophobicContact CD1-CB 3.84Å
68	E	97.5	Very high	91.9	Very high	56 Å²	56	72.6 Å²	72.6	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-43.6	177.4	-165.4	58.3	-137.8	0	0	111.3	S64 L70 A71 E72 R107	S64-E68 PolarHBondContact O-N 3.4Å; E68-L70 PolarHBondContact O-N 2.87Å; E68-A71 PolarHBondContact O-N 2.91Å; E68-E72 WeakPolarHBondContact O-CB 3.4Å; E68-E72 PolarHBondContact O-N 3.15Å; E68-R107 WeakPolarHBondContact OE1-CD 3.06Å; E68-R107 IonicContact OE1-CZ 3.2Å; E68-R107 IonicContact OE1-NE 2.69Å; E68-R107 PolarHBondContact OE1-NE 3.15Å; E68-R107 IonicContact OE1-NH2 3.25Å; E68-R107 WeakPolarHBondContact OE2-CG 3.29Å
69	K	97	Very high	89.7	Confident	161 Å²	161	76 Å²	76	70%	0.7	35%	0.347	S	S	*	.	H	α-helix	trans	-55.5	-40	173.1	-77.3	-179.9	176.7	-172.2	0	111.8	R65 R73	R65-K69 WeakPolarHBondContact O-CB 3.49Å; R65-K69 VanDerWaalsContact O-CG 3.32Å; R65-K69 WeakPolarHBondContact O-CG 3.18Å; R65-K69 PolarHBondContact O-N 2.78Å; K69-R73 VanDerWaalsContact O-CB 3.26Å; K69-R73 WeakPolarHBondContact O-CB 3.37Å; K69-R73 PolarHBondContact O-N 3.32Å
70	L	96.9	Very high	87.2	Confident	85 Å²	85	76.7 Å²	76.7	45%	0.445	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-52	175.3	178.3	62.9	0	0	0	111.6	S66 L67 E68 E72 R73 F74 T106	S66-L70 WeakPolarHBondContact O-CB 3.37Å; S66-L70 PolarHBondContact O-N 3.16Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 3.32Å; E68-L70 PolarHBondContact O-N 2.87Å; L70-E72 PolarHBondContact O-N 3.25Å; L70-R73 PolarHBondContact O-N 2.83Å; L70-F74 HydrophobicContact CD1-CD2 4.28Å; L70-F74 HydrophobicContact CD1-CE2 3.88Å; L70-F74 WeakPolarHBondContact O-CD2 3.42Å; L70-T106 HydrophobicContact CD2-CG2 4.25Å
71	A	95.4	Very high	84.6	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-39.8	-178.9	0	0	0	0	0	112.5	L67 E68 S75 T106 R107	L67-A71 PolarHBondContact O-N 2.96Å; E68-A71 PolarHBondContact O-N 2.91Å; A71-S75 VanDerWaalsContact O-CB 3.29Å; A71-S75 WeakPolarHBondContact O-CB 3.28Å; A71-S75 PolarHBondContact O-N 3.47Å; A71-S75 PolarHBondContact O-OG 3.37Å; A71-T106 HydrophobicContact CB-CG2 4.07Å; A71-R107 HydrophobicContact CB-CG 3.65Å
72	E	92.3	Very high	81.9	Confident	94 Å²	94	83.2 Å²	83.2	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.1	178.9	134.7	-112.7	0	0	112.2	E68 L70 F74 S75 S76 R79	E68-E72 WeakPolarHBondContact O-CB 3.4Å; E68-E72 PolarHBondContact O-N 3.15Å; L70-E72 PolarHBondContact O-N 3.25Å; E72-F74 PolarHBondContact O-N 2.96Å; E72-S75 CarbonylContact O-C 3.57Å; E72-S75 PolarHBondContact O-N 3.22Å; E72-S76 PolarHBondContact O-N 2.91Å; E72-S76 PolarHBondContact O-OG 2.92Å; E72-R79 IonicContact OE1-NH2 2.78Å; E72-R79 PolarHBondContact OE1-NH2 3.37Å
73	R	92.2	Very high	79.3	Confident	170 Å²	170	84 Å²	84	64%	0.642	39%	0.39	S	S	*	.	H	α-helix	trans	-55.5	-27.8	-179.6	-173.5	179.1	-171.6	-163.9	3.5	114	K69 L70 S76	K69-R73 VanDerWaalsContact O-CB 3.26Å; K69-R73 WeakPolarHBondContact O-CB 3.37Å; K69-R73 PolarHBondContact O-N 3.32Å; L70-R73 PolarHBondContact O-N 2.83Å; R73-S76 PolarHBondContact O-OG 3.43Å
74	F	89.3	Confident	76.7	Confident	70 Å²	70	83.4 Å²	83.4	31%	0.307	39%	0.391	S	S	.	.	H	α-helix	trans	-95.5	-32.9	173.4	-70.3	-75.5	0	0	0	113	L70 E72 K77 I78 W99 L103	L70-F74 HydrophobicContact CD1-CD2 4.28Å; L70-F74 HydrophobicContact CD1-CE2 3.88Å; L70-F74 WeakPolarHBondContact O-CD2 3.42Å; E72-F74 PolarHBondContact O-N 2.96Å; F74-K77 PolarHBondContact O-N 3.15Å; F74-I78 WeakPolarHBondContact O-CG1 3.32Å; F74-I78 PolarHBondContact O-N 2.97Å; F74-I78 VanDerWaalsContact O-N 3.17Å; F74-W99 HydrophobicContact CB-CZ2 3.89Å; F74-W99 HydrophobicContact CD1-CH2 4.35Å; F74-W99 AromaticContact CD1-CZ2 3.86Å; F74-W99 HydrophobicContact CD1-CZ2 3.86Å; F74-W99 HydrophobicContact CD2-CH2 4.45Å; F74-W99 HydrophobicContact CG-CH2 4.2Å; F74-W99 AromaticContact CG-CZ2 3.85Å; F74-W99 HydrophobicContact CG-CZ2 3.85Å; F74-L103 HydrophobicContact CB-CD1 4.01Å; F74-L103 HydrophobicContact CB-CD2 3.81Å; F74-L103 HydrophobicContact CG-CD2 4.48Å
75	S	81.9	Confident	74	Confident	9 Å²	9	89.9 Å²	89.9	6%	0.063	42%	0.42	C	S	.	.	H	α-helix	trans	-72.8	-24.7	177.5	-55.6	0	0	0	0	114.1	A71 E72 R79 R107	A71-S75 VanDerWaalsContact O-CB 3.29Å; A71-S75 WeakPolarHBondContact O-CB 3.28Å; A71-S75 PolarHBondContact O-N 3.47Å; A71-S75 PolarHBondContact O-OG 3.37Å; E72-S75 CarbonylContact O-C 3.57Å; E72-S75 PolarHBondContact O-N 3.22Å; S75-R79 WeakPolarHBondContact O-CB 3.35Å; S75-R79 VanDerWaalsContact O-CG 3.28Å; S75-R79 WeakPolarHBondContact O-CG 3.23Å; S75-R79 PolarHBondContact O-N 3.33Å; S75-R79 VanDerWaalsContact O-N 3.14Å; S75-R79 PolarHBondContact O-NE 2.86Å; S75-R107 VanDerWaalsContact CB-NH2 3.27Å; S75-R107 PolarHBondContact OG-NH1 3.39Å; S75-R107 PolarHBondContact OG-NH2 2.8Å
76	S	69.5	Low	71.2	Confident	53 Å²	53	89.6 Å²	89.6	37%	0.371	42%	0.423	S	S	.	.	H	α-helix	trans	-65.8	-46.7	170	55.9	0	0	0	0	110.4	E72 R73 I78 R79 S80	E72-S76 PolarHBondContact O-N 2.91Å; E72-S76 PolarHBondContact O-OG 2.92Å; R73-S76 PolarHBondContact O-OG 3.43Å; S76-I78 VanDerWaalsContact C-N 3.34Å; S76-I78 PolarHBondContact O-N 3.46Å; S76-R79 CarbonylContact O-C 3.56Å; S76-R79 PolarHBondContact O-N 3.18Å; S76-R79 VanDerWaalsContact O-N 3.12Å; S76-S80 PolarHBondContact O-N 3.47Å; S76-S80 PolarHBondContact O-OG 2.77Å
77	K	67.6	Low	68.5	Low	124 Å²	124	94.7 Å²	94.7	54%	0.539	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-40.1	177.2	-63.7	-177.3	177.1	-167.7	0	113.3	F74 S80 S81	F74-K77 PolarHBondContact O-N 3.15Å; K77-S80 WeakPolarHBondContact CA-OG 3.48Å; K77-S80 PolarHBondContact O-N 3.5Å; K77-S80 PolarHBondContact O-OG 2.64Å; K77-S81 PolarHBondContact O-N 3.11Å
78	I	64.8	Low	65.9	Low	33 Å²	33	102.7 Å²	102.7	17%	0.169	47%	0.471	C	S	.	.	H	α-helix	trans	-65.8	-45.4	174.4	-64.3	165.8	0	0	0	110.3	F74 S76 S80 S81 H84 L103	F74-I78 WeakPolarHBondContact O-CG1 3.32Å; F74-I78 PolarHBondContact O-N 2.97Å; F74-I78 VanDerWaalsContact O-N 3.17Å; S76-I78 VanDerWaalsContact C-N 3.34Å; S76-I78 PolarHBondContact O-N 3.46Å; I78-S80 VanDerWaalsContact C-N 3.29Å; I78-S80 PolarHBondContact O-N 3.16Å; I78-S81 PolarHBondContact O-N 3.15Å; I78-H84 HydrophobicContact CG2-CB 4Å; I78-L103 HydrophobicContact CD1-CD1 3.52Å
79	R	51.8	Low	63.7	Low	150 Å²	150	107.1 Å²	107.1	57%	0.566	50%	0.497	S	S	*	.	H	α-helix	trans	-66.1	-26.2	177.6	-74.3	179.5	-70.8	175.1	-1.3	113.8	E72 S75 S76	E72-R79 IonicContact OE1-NH2 2.78Å; E72-R79 PolarHBondContact OE1-NH2 3.37Å; S75-R79 WeakPolarHBondContact O-CB 3.35Å; S75-R79 VanDerWaalsContact O-CG 3.28Å; S75-R79 WeakPolarHBondContact O-CG 3.23Å; S75-R79 PolarHBondContact O-N 3.33Å; S75-R79 VanDerWaalsContact O-N 3.14Å; S75-R79 PolarHBondContact O-NE 2.86Å; S76-R79 CarbonylContact O-C 3.56Å; S76-R79 PolarHBondContact O-N 3.18Å; S76-R79 VanDerWaalsContact O-N 3.12Å
80	S	46.1	Very low	61.7	Low	95 Å²	95	106.5 Å²	106.5	66%	0.664	50%	0.496	S	S	*	.	H	α-helix	trans	-84.3	-16.7	175.6	57.8	0	0	0	0	114.2	S76 K77 I78	S76-S80 PolarHBondContact O-N 3.47Å; S76-S80 PolarHBondContact O-OG 2.77Å; K77-S80 WeakPolarHBondContact CA-OG 3.48Å; K77-S80 PolarHBondContact O-N 3.5Å; K77-S80 PolarHBondContact O-OG 2.64Å; I78-S80 VanDerWaalsContact C-N 3.29Å; I78-S80 PolarHBondContact O-N 3.16Å
81	S	43.9	Very low	60	Low	41 Å²	41	108.4 Å²	108.4	29%	0.287	50%	0.498	S	S	.	.	S	Bend	trans	-79.6	119.7	170.5	-178.5	0	0	0	0	110.1	K77 I78 E83 H84	K77-S81 PolarHBondContact O-N 3.11Å; I78-S81 PolarHBondContact O-N 3.15Å; S81-E83 PolarHBondContact O-N 3.16Å; S81-E83 VanDerWaalsContact O-N 3.1Å; S81-H84 PolarHBondContact O-N 3.28Å; S81-H84 VanDerWaalsContact O-N 3.16Å
82	R	42.6	Very low	59.3	Low	160 Å²	160	111.8 Å²	111.8	60%	0.604	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-55.8	-26.3	177.1	-84.3	179	159.4	-176.8	-9.8	113.1	H84 Q85	R82-H84 PolarHBondContact O-N 3.1Å; R82-Q85 PolarHBondContact O-N 3.16Å
83	E	43.8	Very low	59.2	Low	125 Å²	125	109.7 Å²	109.7	58%	0.584	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25	178.7	-66.2	-179.8	129	0	0	113.9	S81 F86	S81-E83 PolarHBondContact O-N 3.16Å; S81-E83 VanDerWaalsContact O-N 3.1Å; E83-F86 WeakPolarHBondContact O-CD2 3.37Å
84	H	44.3	Very low	59.2	Low	88 Å²	88	102.4 Å²	102.4	41%	0.407	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-94.2	5	-175.8	-73.9	61.8	0	0	0	114	I78 S81 R82 F86 V96	I78-H84 HydrophobicContact CG2-CB 4Å; S81-H84 PolarHBondContact O-N 3.28Å; S81-H84 VanDerWaalsContact O-N 3.16Å; R82-H84 PolarHBondContact O-N 3.1Å; H84-F86 VanDerWaalsContact C-N 3.33Å; H84-V96 WeakPolarHBondContact NE2-CG1 3.19Å
85	Q	41.7	Very low	59.5	Low	145 Å²	145	102.6 Å²	102.6	68%	0.678	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-86.4	-0.2	172.1	-69.4	-173.5	-17.6	0	0	113.6	R82 K87	R82-Q85 PolarHBondContact O-N 3.16Å; Q85-K87 VanDerWaalsContact C-N 3.3Å; Q85-K87 PolarHBondContact O-N 3.27Å
86	F	39.4	Very low	59.9	Low	144 Å²	144	104.2 Å²	104.2	63%	0.632	50%	0.5	S	S	*	.	S	Bend	trans	-72.1	77.8	174.7	-75.5	-74.6	0	0	0	113.3	E83 H84	E83-F86 WeakPolarHBondContact O-CD2 3.37Å; H84-F86 VanDerWaalsContact C-N 3.33Å
87	K	42.2	Very low	60.9	Low	170 Å²	170	104.6 Å²	104.6	74%	0.739	50%	0.498	S	S	*	.	S	Bend	trans	45.5	96	152.5	-61.9	174.5	-176	168.9	0	117	Q85	Q85-K87 VanDerWaalsContact C-N 3.3Å; Q85-K87 PolarHBondContact O-N 3.27Å
88	K	44.4	Very low	62.2	Low	184 Å²	184	99.4 Å²	99.4	80%	0.8	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.2	93.7	154.3	-81.9	-167.6	167.5	-168.5	0	115.8	Q90	K88-Q90 WeakPolarHBondContact O-CB 3.46Å; K88-Q90 PolarHBondContact O-N 2.95Å
89	D	51	Low	63.6	Low	148 Å²	148	103 Å²	103	79%	0.791	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-12	151.7	-36.7	-41.1	0	0	0	117.6
90	Q	54.5	Low	65.5	Low	148 Å²	148	101.7 Å²	101.7	69%	0.692	49%	0.485	S	S	*	.	S	Bend	trans	-94.9	-12	-163.8	-174.3	152.9	71.1	0	0	114.7	K88	K88-Q90 WeakPolarHBondContact O-CB 3.46Å; K88-Q90 PolarHBondContact O-N 2.95Å
91	Y	61.5	Low	67.8	Low	126 Å²	126	98.7 Å²	98.7	49%	0.494	46%	0.461	S	S	.	.	S	Bend	trans	-138	16.8	-175.3	-59.2	-74.4	0	0	0	114.1	L93 T317	Y91-L93 PolarHBondContact O-N 3.37Å; Y91-T317 HydrophobicContact CD1-CG2 4.34Å
92	L	79.8	Confident	70.3	Confident	70 Å²	70	99.4 Å²	99.4	37%	0.366	46%	0.464	S	S	.	.			trans	-66.4	134.3	170.8	-102.2	76.7	0	0	0	110	V96 N97	L92-V96 HydrophobicContact CD2-CG1 4.05Å; L92-V96 HydrophobicContact CG-CG1 4.23Å; L92-N97 HydrophobicContact CD2-CB 4.35Å
93	L	89.9	Confident	72.8	Confident	51 Å²	51	92 Å²	92	27%	0.267	44%	0.436	S	S	.	.			trans	-71	145.8	169.6	-54.1	-178.9	0	0	0	110	Y91 P95 V96 N97 D314 T317 V318	Y91-L93 PolarHBondContact O-N 3.37Å; L93-P95 VanDerWaalsContact C-CD 3.45Å; L93-V96 HydrophobicContact CB-CG2 4.21Å; L93-V96 WeakPolarHBondContact O-CA 3.37Å; L93-V96 WeakPolarHBondContact O-CB 3.44Å; L93-V96 PolarHBondContact O-N 3.41Å; L93-N97 PolarHBondContact O-N 3.1Å; L93-D314 VanDerWaalsContact CA-OD1 3.25Å; L93-D314 WeakPolarHBondContact CA-OD1 3.29Å; L93-D314 HydrophobicContact CD2-CB 4.13Å; L93-T317 HydrophobicContact CD2-CG2 3.85Å; L93-V318 HydrophobicContact CD1-CG2 4.04Å; L93-V318 HydrophobicContact CD2-CG2 3.84Å
94	S	93.6	Very high	75.2	Confident	17 Å²	17	90 Å²	90	12%	0.119	43%	0.426	C	S	.	.	H	α-helix	trans	-55.3	-39.4	-170.9	69.9	0	0	0	0	114.7	V96 N97 C98 L309 D310 D314	S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.46Å; S94-N97 WeakPolarHBondContact O-CB 3.44Å; S94-N97 PolarHBondContact O-N 3.25Å; S94-C98 PolarHBondContact O-N 2.91Å; S94-C98 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-SG 3Å; S94-L309 WeakPolarHBondContact OG-CA 3.29Å; S94-D310 PolarHBondContact OG-N 2.73Å; S94-D314 WeakPolarHBondContact CB-OD2 3.39Å; S94-D314 PolarHBondContact N-OD1 2.96Å; S94-D314 PolarHBondContact N-OD2 3.37Å; S94-D314 PolarHBondContact OG-OD2 3.32Å
95	P	94.3	Very high	77.8	Confident	74 Å²	74	86.3 Å²	86.3	48%	0.481	41%	0.409	S	S	.	.	H	α-helix	trans	-70.6	-29.5	176.6	-15.8	31.8	0	0	0	113	L93 C98 W99 L309 D314	L93-P95 VanDerWaalsContact C-CD 3.45Å; P95-C98 PolarHBondContact O-N 2.95Å; P95-W99 PolarHBondContact O-N 3.1Å; P95-L309 HydrophobicContact CB-CD2 4.29Å; P95-L309 HydrophobicContact CG-CD2 4.08Å; P95-D314 WeakPolarHBondContact CD-OD2 3.25Å
96	V	90.6	Very high	80.5	Confident	43 Å²	43	80.6 Å²	80.6	26%	0.261	38%	0.384	S	S	.	.	H	α-helix	trans	-71.1	-37.3	177	-176.7	0	0	0	0	110	H84 L92 L93 S94 W99 Y100	H84-V96 WeakPolarHBondContact NE2-CG1 3.19Å; L92-V96 HydrophobicContact CD2-CG1 4.05Å; L92-V96 HydrophobicContact CG-CG1 4.23Å; L93-V96 HydrophobicContact CB-CG2 4.21Å; L93-V96 WeakPolarHBondContact O-CA 3.37Å; L93-V96 WeakPolarHBondContact O-CB 3.44Å; L93-V96 PolarHBondContact O-N 3.41Å; S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.46Å; V96-W99 PolarHBondContact O-N 3.21Å; V96-Y100 WeakPolarHBondContact O-CB 3.42Å; V96-Y100 PolarHBondContact O-N 3Å
97	N	90.9	Very high	83.2	Confident	60 Å²	60	76.1 Å²	76.1	32%	0.321	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-47.5	172.1	-177.7	58.1	0	0	0	111.6	L92 L93 S94 W99 Y100 L101	L92-N97 HydrophobicContact CD2-CB 4.35Å; L93-N97 PolarHBondContact O-N 3.1Å; S94-N97 WeakPolarHBondContact O-CB 3.44Å; S94-N97 PolarHBondContact O-N 3.25Å; N97-W99 VanDerWaalsContact C-N 3.33Å; N97-W99 PolarHBondContact O-N 2.96Å; N97-Y100 PolarHBondContact O-N 3.29Å; N97-L101 WeakPolarHBondContact O-CG 3.49Å; N97-L101 PolarHBondContact O-N 3.49Å
98	C	95	Very high	85.9	Confident	15 Å²	15	69.7 Å²	69.7	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-56.6	-45.8	174.7	-62.4	0	0	0	0	112	S94 P95 Y100 L101 V102 A305	S94-C98 PolarHBondContact O-N 2.91Å; S94-C98 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-SG 3Å; P95-C98 PolarHBondContact O-N 2.95Å; C98-Y100 PolarHBondContact O-N 3.1Å; C98-L101 PolarHBondContact O-N 3.11Å; C98-V102 WeakPolarHBondContact O-CG2 3.21Å; C98-V102 PolarHBondContact O-N 3.31Å; C98-A305 PolarHBondContact SG-O 3.06Å
99	W	94	Very high	88.4	Confident	109 Å²	109	61.9 Å²	61.9	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-62.7	-41.8	177	175.5	-125.8	0	0	0	113.1	F74 P95 V96 N97 L101 V102 L103	F74-W99 HydrophobicContact CB-CZ2 3.89Å; F74-W99 HydrophobicContact CD1-CH2 4.35Å; F74-W99 AromaticContact CD1-CZ2 3.86Å; F74-W99 HydrophobicContact CD1-CZ2 3.86Å; F74-W99 HydrophobicContact CD2-CH2 4.45Å; F74-W99 HydrophobicContact CG-CH2 4.2Å; F74-W99 AromaticContact CG-CZ2 3.85Å; F74-W99 HydrophobicContact CG-CZ2 3.85Å; P95-W99 PolarHBondContact O-N 3.1Å; V96-W99 PolarHBondContact O-N 3.21Å; N97-W99 VanDerWaalsContact C-N 3.33Å; N97-W99 PolarHBondContact O-N 2.96Å; W99-L101 VanDerWaalsContact C-N 3.34Å; W99-L101 PolarHBondContact O-N 3.31Å; W99-V102 HydrophobicContact CE3-CB 4.42Å; W99-V102 HydrophobicContact CE3-CG1 4.36Å; W99-V102 HydrophobicContact CZ3-CG1 4.26Å; W99-V102 PolarHBondContact O-N 3.21Å; W99-L103 HydrophobicContact CD2-CD1 4.34Å; W99-L103 HydrophobicContact CD2-CG 4.35Å; W99-L103 HydrophobicContact CH2-CD2 3.88Å; W99-L103 HydrophobicContact CH2-CG 4.28Å; W99-L103 HydrophobicContact CZ2-CD1 3.92Å; W99-L103 HydrophobicContact CZ2-CD2 3.95Å; W99-L103 HydrophobicContact CZ2-CG 4.09Å; W99-L103 HydrophobicContact CZ3-CD2 4.36Å; W99-L103 HydrophobicContact CZ3-CG 4.48Å; W99-L103 PolarHBondContact O-N 3.5Å; W99-L103 VanDerWaalsContact O-N 3.1Å
100	Y	92	Very high	90.7	Very high	123 Å²	123	55 Å²	55	48%	0.482	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-39.4	176	-175.8	-101.4	0	0	0	112.1	V96 N97 C98 L103 H104	V96-Y100 WeakPolarHBondContact O-CB 3.42Å; V96-Y100 PolarHBondContact O-N 3Å; N97-Y100 PolarHBondContact O-N 3.29Å; C98-Y100 PolarHBondContact O-N 3.1Å; Y100-L103 PolarHBondContact O-N 3.42Å; Y100-H104 WeakPolarHBondContact O-CB 3.39Å; Y100-H104 PolarHBondContact O-N 3.38Å
101	L	94.7	Very high	92.8	Very high	32 Å²	32	53.9 Å²	53.9	17%	0.168	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-36.7	176.9	-69.2	171	0	0	0	112.5	N97 C98 W99 H104 Q105 V301 I302 A305	N97-L101 WeakPolarHBondContact O-CG 3.49Å; N97-L101 PolarHBondContact O-N 3.49Å; C98-L101 PolarHBondContact O-N 3.11Å; W99-L101 VanDerWaalsContact C-N 3.34Å; W99-L101 PolarHBondContact O-N 3.31Å; L101-H104 PolarHBondContact O-N 3.46Å; L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 PolarHBondContact O-N 3.05Å; L101-V301 HydrophobicContact CD1-CG1 4.23Å; L101-V301 HydrophobicContact CD2-CG1 3.93Å; L101-I302 HydrophobicContact CB-CG1 4.04Å; L101-A305 HydrophobicContact CD1-CB 3.49Å; L101-A305 VanDerWaalsContact CD1-CB 3.49Å
102	V	96.8	Very high	94.5	Very high	56 Å²	56	49.8 Å²	49.8	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-58	-48.9	169.5	168.9	0	0	0	0	110.9	C98 W99 H104 Q105 T106 I302	C98-V102 WeakPolarHBondContact O-CG2 3.21Å; C98-V102 PolarHBondContact O-N 3.31Å; W99-V102 HydrophobicContact CE3-CB 4.42Å; W99-V102 HydrophobicContact CE3-CG1 4.36Å; W99-V102 HydrophobicContact CZ3-CG1 4.26Å; W99-V102 PolarHBondContact O-N 3.21Å; V102-H104 VanDerWaalsContact C-N 3.32Å; V102-H104 PolarHBondContact O-N 3.45Å; V102-Q105 PolarHBondContact O-N 2.85Å; V102-T106 PolarHBondContact O-N 2.99Å; V102-T106 PolarHBondContact O-OG1 3.4Å; V102-T106 VanDerWaalsContact O-OG1 3.06Å; V102-I302 HydrophobicContact CG2-CD1 4.05Å; V102-I302 HydrophobicContact CG2-CG1 4.46Å; V102-I302 HydrophobicContact CG2-CG2 4.25Å
103	L	95	Very high	95.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-34.6	177.2	-67.7	176.2	0	0	0	112.8	F74 I78 W99 Y100 R107	F74-L103 HydrophobicContact CB-CD1 4.01Å; F74-L103 HydrophobicContact CB-CD2 3.81Å; F74-L103 HydrophobicContact CG-CD2 4.48Å; I78-L103 HydrophobicContact CD1-CD1 3.52Å; W99-L103 HydrophobicContact CD2-CD1 4.34Å; W99-L103 HydrophobicContact CD2-CG 4.35Å; W99-L103 HydrophobicContact CH2-CD2 3.88Å; W99-L103 HydrophobicContact CH2-CG 4.28Å; W99-L103 HydrophobicContact CZ2-CD1 3.92Å; W99-L103 HydrophobicContact CZ2-CD2 3.95Å; W99-L103 HydrophobicContact CZ2-CG 4.09Å; W99-L103 HydrophobicContact CZ3-CD2 4.36Å; W99-L103 HydrophobicContact CZ3-CG 4.48Å; W99-L103 PolarHBondContact O-N 3.5Å; W99-L103 VanDerWaalsContact O-N 3.1Å; Y100-L103 PolarHBondContact O-N 3.42Å; L103-R107 PolarHBondContact O-N 3.29Å
104	H	94.6	Very high	95.9	Very high	83 Å²	83	46.3 Å²	46.3	38%	0.384	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-38.2	173.6	179.8	-103.7	0	0	0	112	Y100 L101 V102 R107 R108	Y100-H104 WeakPolarHBondContact O-CB 3.39Å; Y100-H104 PolarHBondContact O-N 3.38Å; L101-H104 PolarHBondContact O-N 3.46Å; V102-H104 VanDerWaalsContact C-N 3.32Å; V102-H104 PolarHBondContact O-N 3.45Å; H104-R107 WeakPolarHBondContact O-CB 3.36Å; H104-R107 PolarHBondContact O-N 3.45Å; H104-R108 PolarHBondContact O-N 3.04Å
105	Q	97.6	Very high	96.1	Very high	10 Å²	10	49 Å²	49	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-43.7	174.7	174	57	8.1	0	0	111.6	L101 V102 R107 R108 E109 I302	L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 PolarHBondContact O-N 3.05Å; V102-Q105 PolarHBondContact O-N 2.85Å; Q105-R107 VanDerWaalsContact C-N 3.26Å; Q105-R107 PolarHBondContact O-N 2.88Å; Q105-R108 WeakPolarHBondContact O-CA 3.47Å; Q105-R108 WeakPolarHBondContact O-CB 3.17Å; Q105-R108 PolarHBondContact O-N 3.47Å; Q105-R108 VanDerWaalsContact OE1-NE 3.07Å; Q105-E109 PolarHBondContact NE2-OE1 3.44Å; Q105-E109 PolarHBondContact O-N 3.25Å; Q105-I302 HydrophobicContact CB-CD1 3.67Å; Q105-I302 HydrophobicContact CG-CD1 4.01Å
106	T	98.1	Very high	96.3	Very high	25 Å²	25	45.7 Å²	45.7	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-56.2	-40.5	174.6	-49.2	0	0	0	0	112	L67 L70 A71 V102 R108 S110	L67-T106 HydrophobicContact CB-CG2 4.12Å; L67-T106 HydrophobicContact CD2-CG2 4.05Å; L67-T106 WeakPolarHBondContact O-CG2 3.49Å; L70-T106 HydrophobicContact CD2-CG2 4.25Å; A71-T106 HydrophobicContact CB-CG2 4.07Å; V102-T106 PolarHBondContact O-N 2.99Å; V102-T106 PolarHBondContact O-OG1 3.4Å; V102-T106 VanDerWaalsContact O-OG1 3.06Å; T106-R108 VanDerWaalsContact C-N 3.34Å; T106-S110 WeakPolarHBondContact O-CB 3.45Å; T106-S110 PolarHBondContact O-N 3.04Å
107	R	97.3	Very high	96.7	Very high	51 Å²	51	44.4 Å²	44.4	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-28.4	172.8	-71.7	-160.8	167.8	85.6	8.5	114.5	E68 A71 S75 L103 H104 Q105 R111	E68-R107 WeakPolarHBondContact OE1-CD 3.06Å; E68-R107 IonicContact OE1-CZ 3.2Å; E68-R107 IonicContact OE1-NE 2.69Å; E68-R107 PolarHBondContact OE1-NE 3.15Å; E68-R107 IonicContact OE1-NH2 3.25Å; E68-R107 WeakPolarHBondContact OE2-CG 3.29Å; A71-R107 HydrophobicContact CB-CG 3.65Å; S75-R107 VanDerWaalsContact CB-NH2 3.27Å; S75-R107 PolarHBondContact OG-NH1 3.39Å; S75-R107 PolarHBondContact OG-NH2 2.8Å; L103-R107 PolarHBondContact O-N 3.29Å; H104-R107 WeakPolarHBondContact O-CB 3.36Å; H104-R107 PolarHBondContact O-N 3.45Å; Q105-R107 VanDerWaalsContact C-N 3.26Å; Q105-R107 PolarHBondContact O-N 2.88Å; R107-R111 WeakPolarHBondContact O-CG 3.4Å; R107-R111 PolarHBondContact O-N 2.86Å; R107-R111 PolarHBondContact O-NE 3.09Å
108	R	97.6	Very high	97	Very high	35 Å²	35	45.6 Å²	45.6	13%	0.132	22%	0.218	C	C	.	.	H	α-helix	trans	-74.7	-49.8	178.6	-162.3	165.9	60.6	105.7	27.4	109.6	H104 Q105 T106 S110 R111 D112 S294 R295 E297	H104-R108 PolarHBondContact O-N 3.04Å; Q105-R108 WeakPolarHBondContact O-CA 3.47Å; Q105-R108 WeakPolarHBondContact O-CB 3.17Å; Q105-R108 PolarHBondContact O-N 3.47Å; Q105-R108 VanDerWaalsContact OE1-NE 3.07Å; T106-R108 VanDerWaalsContact C-N 3.34Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 2.54Å; R108-R111 PolarHBondContact O-N 3.41Å; R108-R111 VanDerWaalsContact O-N 3.09Å; R108-D112 PolarHBondContact O-N 3.39Å; R108-S294 PolarHBondContact NH1-O 2.85Å; R108-S294 PolarHBondContact NH1-OG 2.85Å; R108-S294 PolarHBondContact NH2-O 2.8Å; R108-R295 PolarHBondContact NH2-O 3.35Å; R108-E297 IonicContact NH1-OE2 2.69Å
109	E	98.3	Very high	97.2	Very high	19 Å²	19	47 Å²	47	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-54.7	-44.9	171.4	-64.3	-172.6	-177.7	0	0	111.4	L67 Q105 R111 D112 H113 R295	L67-E109 HydrophobicContact CD1-CB 3.84Å; Q105-E109 PolarHBondContact NE2-OE1 3.44Å; Q105-E109 PolarHBondContact O-N 3.25Å; E109-R111 PolarHBondContact O-N 2.77Å; E109-D112 PolarHBondContact O-N 3.06Å; E109-H113 PolarHBondContact O-CD2 3.45Å; E109-H113 PolarHBondContact O-N 2.92Å; E109-R295 VanDerWaalsContact CD-NH2 3.33Å; E109-R295 IonicContact OE1-CZ 3.86Å; E109-R295 IonicContact OE1-NE 2.94Å; E109-R295 PolarHBondContact OE1-NE 3.27Å; E109-R295 IonicContact OE1-NH2 2.88Å; E109-R295 PolarHBondContact OE1-NH2 2.9Å; E109-R295 IonicContact OE2-CZ 3.25Å; E109-R295 IonicContact OE2-NE 2.84Å; E109-R295 IonicContact OE2-NH2 2.78Å; E109-R295 PolarHBondContact OE2-NH2 3.27Å
110	S	98.6	Very high	97.4	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-50.8	-53.4	173.2	177.1	0	0	0	0	113.2	S64 T106 R108 D112 H113 A114	S64-S110 VanDerWaalsContact CB-O 3.32Å; S64-S110 WeakPolarHBondContact CB-O 3.26Å; S64-S110 PolarHBondContact O-OG 3.44Å; S64-S110 PolarHBondContact OG-O 2.75Å; T106-S110 WeakPolarHBondContact O-CB 3.45Å; T106-S110 PolarHBondContact O-N 3.04Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 2.54Å; S110-D112 VanDerWaalsContact C-N 3.34Å; S110-D112 PolarHBondContact O-N 3.08Å; S110-H113 PolarHBondContact O-N 3.45Å; S110-A114 PolarHBondContact O-N 3.5Å
111	R	98.4	Very high	97.7	Very high	124 Å²	124	39.6 Å²	39.6	47%	0.468	20%	0.199	S	C	.	.	H	α-helix	trans	-66.7	-34.2	-179.9	-72.1	173.4	-70.8	161.4	-2.4	112.9	R107 R108 E109 A114 T115	R107-R111 WeakPolarHBondContact O-CG 3.4Å; R107-R111 PolarHBondContact O-N 2.86Å; R107-R111 PolarHBondContact O-NE 3.09Å; R108-R111 PolarHBondContact O-N 3.41Å; R108-R111 VanDerWaalsContact O-N 3.09Å; E109-R111 PolarHBondContact O-N 2.77Å; R111-A114 PolarHBondContact O-N 3.34Å; R111-T115 WeakPolarHBondContact O-CB 3.48Å; R111-T115 PolarHBondContact O-N 3.44Å; R111-T115 PolarHBondContact O-OG1 2.66Å
112	D	98.5	Very high	97.8	Very high	40 Å²	40	43.4 Å²	43.4	21%	0.214	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-39.1	-179.8	-61.3	-21	0	0	0	110.8	R108 E109 S110 T115 L116 L291 S294	R108-D112 PolarHBondContact O-N 3.39Å; E109-D112 PolarHBondContact O-N 3.06Å; S110-D112 VanDerWaalsContact C-N 3.34Å; S110-D112 PolarHBondContact O-N 3.08Å; D112-T115 WeakPolarHBondContact O-CB 3.29Å; D112-T115 PolarHBondContact O-N 2.88Å; D112-L116 WeakPolarHBondContact O-CB 3.29Å; D112-L116 PolarHBondContact O-N 3.1Å; D112-L291 HydrophobicContact CB-CD1 3.51Å; D112-S294 VanDerWaalsContact OD2-CB 3.31Å; D112-S294 WeakPolarHBondContact OD2-CB 3.48Å; D112-S294 PolarHBondContact OD2-OG 3.06Å
113	H	98.6	Very high	97.9	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-36.9	171.4	-78.1	-79.7	0	0	0	112.7	E60 Y63 E109 S110 T115 L116 N117	E60-H113 IonicContact OE2-CE1 3.93Å; E60-H113 PolarHBondContact OE2-CE1 3.45Å; E60-H113 IonicContact OE2-CG 3.66Å; E60-H113 IonicContact OE2-ND1 3.18Å; E60-H113 PolarHBondContact OE2-ND1 3.37Å; Y63-H113 AromaticContact CD1-CD2 3.77Å; Y63-H113 AromaticContact CD1-CE1 3.82Å; Y63-H113 AromaticContact CD1-CG 3.84Å; Y63-H113 AromaticContact CD1-ND1 3.85Å; Y63-H113 AromaticContact CD1-NE2 3.78Å; Y63-H113 AromaticContact CE1-CD2 3.76Å; Y63-H113 AromaticContact CE1-CE1 3.87Å; Y63-H113 AromaticContact CE1-NE2 3.49Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.34Å; E109-H113 PolarHBondContact O-CD2 3.45Å; E109-H113 PolarHBondContact O-N 2.92Å; S110-H113 PolarHBondContact O-N 3.45Å; H113-T115 VanDerWaalsContact C-N 3.32Å; H113-T115 PolarHBondContact O-N 3.09Å; H113-L116 WeakPolarHBondContact O-CB 3.2Å; H113-L116 PolarHBondContact O-N 3.35Å; H113-N117 PolarHBondContact O-N 3.17Å
114	A	98.6	Very high	98.1	Very high	27 Å²	27	43 Å²	43	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-42.5	169.3	0	0	0	0	0	111.9	S110 R111 L116 N117 D118	S110-A114 PolarHBondContact O-N 3.5Å; R111-A114 PolarHBondContact O-N 3.34Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.24Å; A114-N117 WeakPolarHBondContact O-CB 3.48Å; A114-N117 PolarHBondContact O-N 2.7Å; A114-D118 PolarHBondContact O-N 2.83Å
115	T	98.6	Very high	98.3	Very high	75 Å²	75	40.1 Å²	40.1	46%	0.46	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-35	175.9	-56.5	0	0	0	0	111.4	R111 D112 H113 D118 I119	R111-T115 WeakPolarHBondContact O-CB 3.48Å; R111-T115 PolarHBondContact O-N 3.44Å; R111-T115 PolarHBondContact O-OG1 2.66Å; D112-T115 WeakPolarHBondContact O-CB 3.29Å; D112-T115 PolarHBondContact O-N 2.88Å; H113-T115 VanDerWaalsContact C-N 3.32Å; H113-T115 PolarHBondContact O-N 3.09Å; T115-D118 PolarHBondContact O-N 3.18Å; T115-I119 HydrophobicContact CG2-CD1 4.12Å; T115-I119 VanDerWaalsContact O-CG1 3.3Å; T115-I119 WeakPolarHBondContact O-CG1 3.18Å; T115-I119 PolarHBondContact O-N 3.01Å
116	L	98.3	Very high	98.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-43.9	176.3	-169.4	61.2	0	0	0	112.1	E60 D112 H113 A114 D118 I119 F120 A287 L291	E60-L116 HydrophobicContact CG-CB 4.44Å; E60-L116 HydrophobicContact CG-CD2 4Å; E60-L116 HydrophobicContact CG-CG 4.16Å; D112-L116 WeakPolarHBondContact O-CB 3.29Å; D112-L116 PolarHBondContact O-N 3.1Å; H113-L116 WeakPolarHBondContact O-CB 3.2Å; H113-L116 PolarHBondContact O-N 3.35Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.24Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.35Å; L116-I119 PolarHBondContact O-N 3.14Å; L116-F120 HydrophobicContact CD1-CD1 4.36Å; L116-F120 HydrophobicContact CD1-CE1 3.47Å; L116-F120 VanDerWaalsContact CD1-CE1 3.47Å; L116-F120 HydrophobicContact CD1-CE2 4.17Å; L116-F120 HydrophobicContact CD1-CZ 3.37Å; L116-F120 HydrophobicContact CD2-CE2 4.15Å; L116-F120 HydrophobicContact CD2-CZ 3.87Å; L116-F120 HydrophobicContact CG-CD2 4.46Å; L116-F120 HydrophobicContact CG-CE1 3.95Å; L116-F120 HydrophobicContact CG-CE2 3.69Å; L116-F120 HydrophobicContact CG-CZ 3.4Å; L116-F120 VanDerWaalsContact O-CG 3.31Å; L116-F120 WeakPolarHBondContact O-CG 3.4Å; L116-F120 PolarHBondContact O-N 3.12Å; L116-A287 HydrophobicContact CD1-CB 3.49Å; L116-A287 VanDerWaalsContact CD1-CB 3.49Å; L116-L291 HydrophobicContact CD2-CD2 3.86Å
117	N	98.4	Very high	98.3	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.08	24%	0.235	C	C	.	.	H	α-helix	trans	-52.2	-49.7	167.6	160.9	84.5	0	0	0	111.4	A57 E60 L61 H113 A114 I119 F120 M121	A57-N117 HydrophobicContact CB-CB 4.45Å; A57-N117 WeakPolarHBondContact CB-OD1 3.45Å; A57-N117 PolarHBondContact O-OD1 3.26Å; E60-N117 HydrophobicContact CB-CB 4.24Å; L61-N117 HydrophobicContact CB-CB 4.09Å; H113-N117 PolarHBondContact O-N 3.17Å; A114-N117 WeakPolarHBondContact O-CB 3.48Å; A114-N117 PolarHBondContact O-N 2.7Å; N117-I119 VanDerWaalsContact C-N 3.31Å; N117-I119 PolarHBondContact O-N 3.43Å; N117-F120 PolarHBondContact O-N 2.87Å; N117-F120 VanDerWaalsContact O-N 3.13Å; N117-M121 WeakPolarHBondContact O-CG 3.49Å; N117-M121 PolarHBondContact O-N 2.76Å
118	D	98.5	Very high	98.4	Very high	86 Å²	86	44.8 Å²	44.8	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-65.4	-34.2	-177	-77.9	4.1	0	0	0	112.3	A114 T115 L116 N122	A114-D118 PolarHBondContact O-N 2.83Å; T115-D118 PolarHBondContact O-N 3.18Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.35Å; D118-N122 VanDerWaalsContact O-CB 3.23Å; D118-N122 WeakPolarHBondContact O-CB 3.39Å; D118-N122 PolarHBondContact O-N 3.27Å; D118-N122 PolarHBondContact O-ND2 3.2Å
119	I	98.6	Very high	98.4	Very high	45 Å²	45	45.5 Å²	45.5	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-41.2	172.9	-69.4	164.7	0	0	0	110.9	T115 L116 N117 N123 V124 T283 A287	T115-I119 HydrophobicContact CG2-CD1 4.12Å; T115-I119 VanDerWaalsContact O-CG1 3.3Å; T115-I119 WeakPolarHBondContact O-CG1 3.18Å; T115-I119 PolarHBondContact O-N 3.01Å; L116-I119 PolarHBondContact O-N 3.14Å; N117-I119 VanDerWaalsContact C-N 3.31Å; N117-I119 PolarHBondContact O-N 3.43Å; I119-N123 HydrophobicContact CG2-CB 4.3Å; I119-N123 WeakPolarHBondContact O-CA 3.31Å; I119-N123 WeakPolarHBondContact O-CB 3.27Å; I119-N123 PolarHBondContact O-N 2.96Å; I119-V124 HydrophobicContact CG2-CG2 4.47Å; I119-V124 PolarHBondContact O-N 2.86Å; I119-T283 HydrophobicContact CG2-CG2 4.17Å; I119-A287 HydrophobicContact CD1-CB 3.9Å; I119-A287 HydrophobicContact CG2-CB 4.01Å
120	F	98.6	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-65.6	-49.8	178.2	-64.3	-13.3	0	0	0	111.5	F53 K56 A57 E60 L116 N117 V124 I125 Y284 E288	F53-F120 HydrophobicContact CD1-CD1 4.27Å; F53-F120 HydrophobicContact CD1-CD2 4.49Å; F53-F120 HydrophobicContact CD1-CG 4.23Å; K56-F120 HydrophobicContact CB-CD2 4.3Å; K56-F120 HydrophobicContact CB-CE2 4.23Å; K56-F120 HydrophobicContact CD-CD2 4.38Å; K56-F120 HydrophobicContact CD-CE2 3.54Å; K56-F120 HydrophobicContact CD-CZ 3.98Å; K56-F120 HydrophobicContact CG-CD2 4.28Å; K56-F120 HydrophobicContact CG-CE2 3.73Å; A57-F120 HydrophobicContact CB-CB 3.82Å; A57-F120 HydrophobicContact CB-CD2 4.13Å; E60-F120 HydrophobicContact CG-CD2 4.28Å; E60-F120 HydrophobicContact CG-CE2 3.83Å; L116-F120 HydrophobicContact CD1-CD1 4.36Å; L116-F120 HydrophobicContact CD1-CE1 3.47Å; L116-F120 VanDerWaalsContact CD1-CE1 3.47Å; L116-F120 HydrophobicContact CD1-CE2 4.17Å; L116-F120 HydrophobicContact CD1-CZ 3.37Å; L116-F120 HydrophobicContact CD2-CE2 4.15Å; L116-F120 HydrophobicContact CD2-CZ 3.87Å; L116-F120 HydrophobicContact CG-CD2 4.46Å; L116-F120 HydrophobicContact CG-CE1 3.95Å; L116-F120 HydrophobicContact CG-CE2 3.69Å; L116-F120 HydrophobicContact CG-CZ 3.4Å; L116-F120 VanDerWaalsContact O-CG 3.31Å; L116-F120 WeakPolarHBondContact O-CG 3.4Å; L116-F120 PolarHBondContact O-N 3.12Å; N117-F120 PolarHBondContact O-N 2.87Å; N117-F120 VanDerWaalsContact O-N 3.13Å; F120-V124 HydrophobicContact CD1-CG2 4.07Å; F120-V124 PolarHBondContact O-N 3.38Å; F120-I125 WeakPolarHBondContact O-CG1 3.15Å; F120-I125 PolarHBondContact O-N 3.49Å; F120-Y284 AromaticContact CE1-CD2 3.63Å; F120-Y284 HydrophobicContact CE1-CD2 3.63Å; F120-Y284 HydrophobicContact CE1-CE2 4.13Å; F120-Y284 AromaticContact CZ-CD2 3.92Å; F120-Y284 HydrophobicContact CZ-CD2 3.92Å; F120-Y284 AromaticContact CZ-CE2 3.92Å; F120-Y284 HydrophobicContact CZ-CE2 3.92Å; F120-E288 WeakPolarHBondContact CZ-OE1 3.41Å
121	M	98.1	Very high	98.4	Very high	75 Å²	75	48.9 Å²	48.9	37%	0.369	25%	0.253	S	S	.	.	I	π-helix	trans	-64.8	-54.4	180	-67.9	-62.7	-76.8	0	0	112.3	R54 A57 N117 I125	R54-M121 HydrophobicContact CG-SD 4.18Å; A57-M121 HydrophobicContact CB-CG 3.82Å; A57-M121 HydrophobicContact CB-SD 4Å; N117-M121 WeakPolarHBondContact O-CG 3.49Å; N117-M121 PolarHBondContact O-N 2.76Å; M121-I125 HydrophobicContact SD-CD1 3.74Å
122	N	97.8	Very high	98.4	Very high	112 Å²	112	43.8 Å²	43.8	60%	0.599	24%	0.236	S	C	*	.	I	π-helix	trans	-90.3	-10.9	-168.9	-56	-71.2	0	0	0	114.2	D118	D118-N122 VanDerWaalsContact O-CB 3.23Å; D118-N122 WeakPolarHBondContact O-CB 3.39Å; D118-N122 PolarHBondContact O-N 3.27Å; D118-N122 PolarHBondContact O-ND2 3.2Å
123	N	98	Very high	98.3	Very high	53 Å²	53	47 Å²	47	28%	0.283	25%	0.25	S	C	.	.	I	π-helix	trans	-127.3	-48.1	-173	-145.2	-31.8	0	0	0	112.9	I119 R127 T283	I119-N123 HydrophobicContact CG2-CB 4.3Å; I119-N123 WeakPolarHBondContact O-CA 3.31Å; I119-N123 WeakPolarHBondContact O-CB 3.27Å; I119-N123 PolarHBondContact O-N 2.96Å; N123-R127 WeakPolarHBondContact O-CB 3.45Å; N123-R127 VanDerWaalsContact O-CD 3.22Å; N123-R127 WeakPolarHBondContact O-CD 3.48Å; N123-R127 WeakPolarHBondContact O-CG 3.39Å; N123-R127 PolarHBondContact O-N 2.85Å; N123-R127 PolarHBondContact O-NE 3.35Å; N123-R127 VanDerWaalsContact OD1-CZ 3.22Å; N123-R127 PolarHBondContact OD1-NE 3.01Å; N123-R127 PolarHBondContact OD1-NH2 3.35Å; N123-T283 HydrophobicContact CB-CG2 4.44Å
124	V	98.5	Very high	98.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-77	-55.2	-178	178.5	0	0	0	0	111.2	F53 I119 F120 V126 R127 L128 T280 T283	F53-V124 HydrophobicContact CB-CG1 4.25Å; F53-V124 HydrophobicContact CD1-CG1 4.06Å; F53-V124 HydrophobicContact CD2-CG1 3.5Å; F53-V124 VanDerWaalsContact CD2-CG1 3.5Å; F53-V124 HydrophobicContact CE1-CG1 4.34Å; F53-V124 HydrophobicContact CE2-CG1 3.8Å; F53-V124 HydrophobicContact CG-CG1 3.65Å; F53-V124 HydrophobicContact CZ-CG1 4.22Å; I119-V124 HydrophobicContact CG2-CG2 4.47Å; I119-V124 PolarHBondContact O-N 2.86Å; F120-V124 HydrophobicContact CD1-CG2 4.07Å; F120-V124 PolarHBondContact O-N 3.38Å; V124-V126 PolarHBondContact O-N 3.41Å; V124-R127 PolarHBondContact O-N 2.73Å; V124-L128 HydrophobicContact CG1-CD1 4.19Å; V124-L128 WeakPolarHBondContact O-CG 3.35Å; V124-L128 PolarHBondContact O-N 3.06Å; V124-T280 HydrophobicContact CB-CG2 4.49Å; V124-T280 HydrophobicContact CG1-CG2 3.82Å; V124-T283 HydrophobicContact CG2-CG2 4.41Å
125	I	98.5	Very high	98.2	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.108	25%	0.249	C	C	.	.	I	π-helix	trans	-63.5	-43.9	-178	-67.1	171.1	0	0	0	110.9	Q50 F53 R54 F120 M121 R127 L128 S129	Q50-I125 HydrophobicContact CG-CG2 4.3Å; F53-I125 HydrophobicContact CB-CD1 4.24Å; F53-I125 HydrophobicContact CB-CG1 3.86Å; R54-I125 HydrophobicContact CB-CD1 3.87Å; R54-I125 HydrophobicContact CG-CD1 4.44Å; F120-I125 WeakPolarHBondContact O-CG1 3.15Å; F120-I125 PolarHBondContact O-N 3.49Å; M121-I125 HydrophobicContact SD-CD1 3.74Å; I125-R127 VanDerWaalsContact C-N 3.27Å; I125-R127 PolarHBondContact O-N 3.37Å; I125-L128 PolarHBondContact O-N 3.33Å; I125-L128 VanDerWaalsContact O-N 3.13Å; I125-S129 WeakPolarHBondContact O-CB 3.36Å; I125-S129 PolarHBondContact O-N 3.14Å
126	V	98.3	Very high	98.1	Very high	85 Å²	85	48.4 Å²	48.4	52%	0.515	25%	0.251	S	S	.	.	H	α-helix	trans	-56.8	-38.8	175.4	177.4	0	0	0	0	111.9	V124 Q130	V124-V126 PolarHBondContact O-N 3.41Å; V126-Q130 PolarHBondContact O-N 3.09Å
127	R	98.2	Very high	98.1	Very high	97 Å²	97	53.9 Å²	53.9	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-68.9	-43.5	175.2	-74.7	170.7	-161.9	-68.5	-7	112.5	N123 V124 I125 S129 Q130 I131 T280	N123-R127 WeakPolarHBondContact O-CB 3.45Å; N123-R127 VanDerWaalsContact O-CD 3.22Å; N123-R127 WeakPolarHBondContact O-CD 3.48Å; N123-R127 WeakPolarHBondContact O-CG 3.39Å; N123-R127 PolarHBondContact O-N 2.85Å; N123-R127 PolarHBondContact O-NE 3.35Å; N123-R127 VanDerWaalsContact OD1-CZ 3.22Å; N123-R127 PolarHBondContact OD1-NE 3.01Å; N123-R127 PolarHBondContact OD1-NH2 3.35Å; V124-R127 PolarHBondContact O-N 2.73Å; I125-R127 VanDerWaalsContact C-N 3.27Å; I125-R127 PolarHBondContact O-N 3.37Å; R127-S129 VanDerWaalsContact C-N 3.3Å; R127-S129 PolarHBondContact O-N 3.45Å; R127-Q130 PolarHBondContact O-N 3.27Å; R127-I131 WeakPolarHBondContact O-CD1 3.48Å; R127-I131 WeakPolarHBondContact O-CG1 3.24Å; R127-I131 PolarHBondContact O-N 2.98Å; R127-T280 HydrophobicContact CB-CG2 4.07Å; R127-T280 WeakPolarHBondContact CB-OG1 3.43Å
128	L	98.6	Very high	97.9	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.1	-65.5	169	0	0	0	111.6	L46 L49 Q50 F53 V124 I125 I131 S132 L277 T280	L46-L128 HydrophobicContact CD2-CD2 3.86Å; L49-L128 HydrophobicContact CB-CD1 3.77Å; L49-L128 HydrophobicContact CB-CD2 4.29Å; L49-L128 HydrophobicContact CD1-CD2 4.27Å; Q50-L128 HydrophobicContact CG-CB 3.45Å; Q50-L128 VanDerWaalsContact CG-CB 3.45Å; Q50-L128 HydrophobicContact CG-CD1 3.96Å; Q50-L128 HydrophobicContact CG-CG 4.36Å; F53-L128 HydrophobicContact CD2-CD1 3.98Å; V124-L128 HydrophobicContact CG1-CD1 4.19Å; V124-L128 WeakPolarHBondContact O-CG 3.35Å; V124-L128 PolarHBondContact O-N 3.06Å; I125-L128 PolarHBondContact O-N 3.33Å; I125-L128 VanDerWaalsContact O-N 3.13Å; L128-I131 PolarHBondContact O-N 3.31Å; L128-S132 PolarHBondContact O-N 3.44Å; L128-S132 PolarHBondContact O-OG 3.14Å; L128-L277 HydrophobicContact CD2-CD1 3.85Å; L128-T280 HydrophobicContact CD2-CG2 4.09Å; L128-T280 HydrophobicContact CG-CG2 4.07Å
129	S	98.3	Very high	97.9	Very high	51 Å²	51	52.3 Å²	52.3	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-50.7	171.9	-169.7	0	0	0	0	111.2	I125 R127 I131 S132 E133	I125-S129 WeakPolarHBondContact O-CB 3.36Å; I125-S129 PolarHBondContact O-N 3.14Å; R127-S129 VanDerWaalsContact C-N 3.3Å; R127-S129 PolarHBondContact O-N 3.45Å; S129-I131 VanDerWaalsContact C-N 3.32Å; S129-I131 PolarHBondContact O-N 2.92Å; S129-S132 WeakPolarHBondContact O-CA 3.39Å; S129-S132 VanDerWaalsContact O-CB 3.26Å; S129-S132 WeakPolarHBondContact O-CB 3.4Å; S129-S132 PolarHBondContact O-N 3.14Å; S129-E133 PolarHBondContact O-N 3.27Å; S129-E133 VanDerWaalsContact O-N 3.09Å
130	Q	98.1	Very high	97.7	Very high	89 Å²	89	56.6 Å²	56.6	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-38.2	177.5	-175.4	63.4	96.5	0	0	113.1	V126 R127 S132 E133 D134	V126-Q130 PolarHBondContact O-N 3.09Å; R127-Q130 PolarHBondContact O-N 3.27Å; Q130-S132 VanDerWaalsContact C-N 3.29Å; Q130-S132 PolarHBondContact O-N 3.09Å; Q130-E133 PolarHBondContact NE2-OE2 3.28Å; Q130-E133 PolarHBondContact O-N 3.48Å; Q130-D134 PolarHBondContact O-N 2.81Å
131	I	98.3	Very high	97.6	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-33.7	175.2	-65.2	161	0	0	0	110.8	L46 R127 L128 S129 D134 V135 F273	L46-I131 HydrophobicContact CD1-CB 4.48Å; L46-I131 HydrophobicContact CD1-CG2 3.85Å; L46-I131 HydrophobicContact CD2-CB 4.29Å; L46-I131 HydrophobicContact CD2-CG2 3.89Å; R127-I131 WeakPolarHBondContact O-CD1 3.48Å; R127-I131 WeakPolarHBondContact O-CG1 3.24Å; R127-I131 PolarHBondContact O-N 2.98Å; L128-I131 PolarHBondContact O-N 3.31Å; S129-I131 VanDerWaalsContact C-N 3.32Å; S129-I131 PolarHBondContact O-N 2.92Å; I131-D134 PolarHBondContact O-N 3.11Å; I131-V135 HydrophobicContact CG2-CG2 4.49Å; I131-V135 WeakPolarHBondContact O-CG2 3.16Å; I131-V135 PolarHBondContact O-N 3.28Å; I131-F273 HydrophobicContact CG2-CD2 3.81Å; I131-F273 HydrophobicContact CG2-CE2 4.15Å
132	S	98.3	Very high	97.5	Very high	17 Å²	17	58.5 Å²	58.5	12%	0.119	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-44.3	175.4	-54	0	0	0	0	111.1	L43 L46 Q50 L128 S129 Q130 D134 V135 I136	L43-S132 WeakPolarHBondContact CD2-O 3.45Å; L46-S132 WeakPolarHBondContact CB-OG 3.19Å; Q50-S132 PolarHBondContact NE2-OG 3.01Å; L128-S132 PolarHBondContact O-N 3.44Å; L128-S132 PolarHBondContact O-OG 3.14Å; S129-S132 WeakPolarHBondContact O-CA 3.39Å; S129-S132 VanDerWaalsContact O-CB 3.26Å; S129-S132 WeakPolarHBondContact O-CB 3.4Å; S129-S132 PolarHBondContact O-N 3.14Å; Q130-S132 VanDerWaalsContact C-N 3.29Å; Q130-S132 PolarHBondContact O-N 3.09Å; S132-D134 VanDerWaalsContact C-N 3.35Å; S132-D134 PolarHBondContact O-N 3.02Å; S132-V135 PolarHBondContact O-N 3.33Å; S132-I136 WeakPolarHBondContact O-CG1 3.42Å; S132-I136 PolarHBondContact O-N 3.17Å; S132-I136 VanDerWaalsContact O-N 3.1Å
133	E	98.1	Very high	97.4	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-41.8	171.7	-61.6	-173.6	167.6	0	0	112.5	S129 Q130 I136 R137	S129-E133 PolarHBondContact O-N 3.27Å; S129-E133 VanDerWaalsContact O-N 3.09Å; Q130-E133 PolarHBondContact NE2-OE2 3.28Å; Q130-E133 PolarHBondContact O-N 3.48Å; E133-I136 PolarHBondContact O-N 3.31Å; E133-R137 VanDerWaalsContact O-CB 3.26Å; E133-R137 WeakPolarHBondContact O-CB 3.38Å; E133-R137 PolarHBondContact O-N 2.63Å
134	D	97	Very high	97.3	Very high	46 Å²	46	57.4 Å²	57.4	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-47.9	177.9	-75.2	-26	0	0	0	111.2	Q130 I131 S132 R137 L138	Q130-D134 PolarHBondContact O-N 2.81Å; I131-D134 PolarHBondContact O-N 3.11Å; S132-D134 VanDerWaalsContact C-N 3.35Å; S132-D134 PolarHBondContact O-N 3.02Å; D134-R137 PolarHBondContact O-N 3.05Å; D134-R137 IonicContact OD1-CZ 2.72Å; D134-R137 IonicContact OD1-NH1 3.72Å; D134-R137 PolarHBondContact OD1-NH1 3.39Å; D134-R137 IonicContact OD1-NH2 3.68Å; D134-R137 PolarHBondContact OD1-NH2 3.22Å; D134-L138 HydrophobicContact CB-CD1 4.5Å; D134-L138 VanDerWaalsContact O-CB 3.28Å; D134-L138 WeakPolarHBondContact O-CB 3.38Å; D134-L138 VanDerWaalsContact O-CG 3.24Å; D134-L138 WeakPolarHBondContact O-CG 3.42Å; D134-L138 PolarHBondContact O-N 3.42Å
135	V	97.3	Very high	97.2	Very high	9 Å²	9	61.4 Å²	61.4	6%	0.055	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-49	177.3	168.8	0	0	0	0	111.1	L43 L46 I131 S132 R137 L138 F139 F273	L43-V135 HydrophobicContact CD1-CG1 4.44Å; L43-V135 HydrophobicContact CD2-CB 4.11Å; L43-V135 HydrophobicContact CD2-CG1 3.96Å; L43-V135 HydrophobicContact CG-CG1 3.98Å; L46-V135 HydrophobicContact CD1-CG2 4.31Å; I131-V135 HydrophobicContact CG2-CG2 4.49Å; I131-V135 WeakPolarHBondContact O-CG2 3.16Å; I131-V135 PolarHBondContact O-N 3.28Å; S132-V135 PolarHBondContact O-N 3.33Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 2.97Å; V135-L138 PolarHBondContact O-N 3.14Å; V135-F139 WeakPolarHBondContact O-CB 3.34Å; V135-F139 PolarHBondContact O-N 3.43Å; V135-F273 HydrophobicContact CG2-CD2 3.73Å; V135-F273 HydrophobicContact CG2-CE2 4.3Å
136	I	97.2	Very high	97.1	Very high	97 Å²	97	60.4 Å²	60.4	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-44.5	177.9	-67.9	163.9	0	0	0	111.1	L43 S132 E133 K140	L43-I136 HydrophobicContact CD1-CD1 4.38Å; L43-I136 HydrophobicContact CD1-CG1 3.71Å; L43-I136 HydrophobicContact CD2-CD1 4.17Å; L43-I136 HydrophobicContact CD2-CG1 3.86Å; L43-I136 HydrophobicContact CG-CG1 4.46Å; S132-I136 WeakPolarHBondContact O-CG1 3.42Å; S132-I136 PolarHBondContact O-N 3.17Å; S132-I136 VanDerWaalsContact O-N 3.1Å; E133-I136 PolarHBondContact O-N 3.31Å; I136-K140 WeakPolarHBondContact O-CB 3.37Å; I136-K140 PolarHBondContact O-N 3.45Å; I136-K140 VanDerWaalsContact O-N 3.09Å
137	R	97.1	Very high	97	Very high	119 Å²	119	60.9 Å²	60.9	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-70.5	-43.5	-176.2	-160.4	-167.2	-39.1	106.3	1.4	112.4	E133 D134 V135 K141	E133-R137 VanDerWaalsContact O-CB 3.26Å; E133-R137 WeakPolarHBondContact O-CB 3.38Å; E133-R137 PolarHBondContact O-N 2.63Å; D134-R137 PolarHBondContact O-N 3.05Å; D134-R137 IonicContact OD1-CZ 2.72Å; D134-R137 IonicContact OD1-NH1 3.72Å; D134-R137 PolarHBondContact OD1-NH1 3.39Å; D134-R137 IonicContact OD1-NH2 3.68Å; D134-R137 PolarHBondContact OD1-NH2 3.22Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 2.97Å; R137-K141 PolarHBondContact O-N 3.01Å
138	L	95.6	Very high	96.9	Very high	45 Å²	45	62.4 Å²	62.4	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-72.4	-42.6	-179.8	-70.6	169.2	0	0	0	111.6	D134 V135 K140 K141 S142 L271	D134-L138 HydrophobicContact CB-CD1 4.5Å; D134-L138 VanDerWaalsContact O-CB 3.28Å; D134-L138 WeakPolarHBondContact O-CB 3.38Å; D134-L138 VanDerWaalsContact O-CG 3.24Å; D134-L138 WeakPolarHBondContact O-CG 3.42Å; D134-L138 PolarHBondContact O-N 3.42Å; V135-L138 PolarHBondContact O-N 3.14Å; L138-K140 PolarHBondContact O-N 3.29Å; L138-K141 PolarHBondContact O-N 3.47Å; L138-S142 WeakPolarHBondContact O-CB 3.38Å; L138-S142 PolarHBondContact O-N 3.44Å; L138-S142 PolarHBondContact O-OG 3Å; L138-L271 HydrophobicContact CD1-CB 4.36Å; L138-L271 WeakPolarHBondContact CD1-O 3.33Å; L138-L271 HydrophobicContact CD2-CD2 4.45Å
139	F	96.7	Very high	96.7	Very high	23 Å²	23	64.4 Å²	64.4	10%	0.101	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-45.6	173.9	175.7	-112.1	0	0	0	111.1	L35 E36 V135 K141 S142 K143	L35-F139 HydrophobicContact CB-CE2 4.1Å; E36-F139 VanDerWaalsContact CA-CZ 3.48Å; E36-F139 HydrophobicContact CB-CE1 4.44Å; E36-F139 HydrophobicContact CB-CZ 3.78Å; E36-F139 HydrophobicContact CG-CE1 4.24Å; E36-F139 HydrophobicContact CG-CZ 4.06Å; E36-F139 WeakPolarHBondContact OE1-CE1 3.41Å; V135-F139 WeakPolarHBondContact O-CB 3.34Å; V135-F139 PolarHBondContact O-N 3.43Å; F139-K141 VanDerWaalsContact C-N 3.33Å; F139-K141 PolarHBondContact O-N 3.13Å; F139-S142 PolarHBondContact O-N 2.89Å; F139-K143 HydrophobicContact CE1-CD 4.12Å; F139-K143 HydrophobicContact CZ-CD 4.01Å; F139-K143 WeakPolarHBondContact O-CB 3.35Å; F139-K143 PolarHBondContact O-N 2.86Å
140	K	96.1	Very high	96.6	Very high	134 Å²	134	62.9 Å²	62.9	58%	0.583	30%	0.297	S	S	*	.	H	α-helix	trans	-56.6	-44.8	175.8	-178.8	173.9	179.2	175.3	0	112.4	I136 L138 K143 E144	I136-K140 WeakPolarHBondContact O-CB 3.37Å; I136-K140 PolarHBondContact O-N 3.45Å; I136-K140 VanDerWaalsContact O-N 3.09Å; L138-K140 PolarHBondContact O-N 3.29Å; K140-K143 PolarHBondContact O-N 3.41Å; K140-E144 WeakPolarHBondContact O-CG 3.27Å; K140-E144 PolarHBondContact O-N 3.31Å
141	K	96.3	Very high	96.5	Very high	109 Å²	109	65 Å²	65	47%	0.474	31%	0.307	S	S	.	.	H	α-helix	trans	-68.4	-38.7	178.6	-74	-71.8	153.8	-155.2	0	112.8	R137 L138 F139 E144 I145	R137-K141 PolarHBondContact O-N 3.01Å; L138-K141 PolarHBondContact O-N 3.47Å; F139-K141 VanDerWaalsContact C-N 3.33Å; F139-K141 PolarHBondContact O-N 3.13Å; K141-E144 VanDerWaalsContact NZ-CD 3.32Å; K141-E144 IonicContact NZ-OE1 2.69Å; K141-E144 PolarHBondContact NZ-OE1 3.09Å; K141-E144 IonicContact NZ-OE2 3.87Å; K141-E144 PolarHBondContact NZ-OE2 2.92Å; K141-E144 PolarHBondContact O-N 3.15Å; K141-I145 WeakPolarHBondContact O-CG1 3.39Å; K141-I145 PolarHBondContact O-N 3.44Å; K141-I145 VanDerWaalsContact O-N 3.08Å
142	S	95.8	Very high	96.4	Very high	6 Å²	6	69 Å²	69	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-38.9	174.7	-55.7	0	0	0	0	111.2	L138 F139 I145 G146 L265 C269	L138-S142 WeakPolarHBondContact O-CB 3.38Å; L138-S142 PolarHBondContact O-N 3.44Å; L138-S142 PolarHBondContact O-OG 3Å; F139-S142 PolarHBondContact O-N 2.89Å; S142-I145 PolarHBondContact O-N 2.91Å; S142-G146 PolarHBondContact O-N 2.8Å; S142-L265 WeakPolarHBondContact O-CD1 3.37Å; S142-C269 WeakPolarHBondContact CB-SG 3.32Å
143	K	95.1	Very high	96.3	Very high	58 Å²	58	68.6 Å²	68.6	25%	0.252	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-42.5	174.4	-161.3	175.9	-164.6	178.9	0	112.5	F32 E36 F139 K140 L147	F32-K143 HydrophobicContact CD1-CG 4.26Å; F32-K143 HydrophobicContact CE1-CB 4.36Å; F32-K143 HydrophobicContact CE1-CG 3.87Å; F32-K143 HydrophobicContact CZ-CG 4.24Å; F32-K143 WeakPolarHBondContact CZ-O 3.46Å; E36-K143 IonicContact OE1-NZ 3.68Å; E36-K143 PolarHBondContact OE1-NZ 3.01Å; E36-K143 IonicContact OE2-NZ 2.8Å; E36-K143 PolarHBondContact OE2-NZ 3.46Å; F139-K143 HydrophobicContact CE1-CD 4.12Å; F139-K143 HydrophobicContact CZ-CD 4.01Å; F139-K143 WeakPolarHBondContact O-CB 3.35Å; F139-K143 PolarHBondContact O-N 2.86Å; K140-K143 PolarHBondContact O-N 3.41Å; K143-L147 WeakPolarHBondContact O-CB 3.42Å; K143-L147 WeakPolarHBondContact O-CD1 3.46Å; K143-L147 VanDerWaalsContact O-CG 3.26Å; K143-L147 WeakPolarHBondContact O-CG 3.27Å; K143-L147 PolarHBondContact O-N 2.91Å; K143-L147 VanDerWaalsContact O-N 3.12Å
144	E	96.3	Very high	96.1	Very high	85 Å²	85	65.7 Å²	65.7	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-44.6	172.6	-70.4	169.3	-157.9	0	0	111.9	K140 K141 Q148	K140-E144 WeakPolarHBondContact O-CG 3.27Å; K140-E144 PolarHBondContact O-N 3.31Å; K141-E144 VanDerWaalsContact NZ-CD 3.32Å; K141-E144 IonicContact NZ-OE1 2.69Å; K141-E144 PolarHBondContact NZ-OE1 3.09Å; K141-E144 IonicContact NZ-OE2 3.87Å; K141-E144 PolarHBondContact NZ-OE2 2.92Å; K141-E144 PolarHBondContact O-N 3.15Å; E144-Q148 PolarHBondContact O-N 3.35Å
145	I	96.6	Very high	96.1	Very high	84 Å²	84	67.8 Å²	67.8	43%	0.431	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-47.6	179.9	-69.9	164.6	0	0	0	111.6	K141 S142 L147 Q148 M149	K141-I145 WeakPolarHBondContact O-CG1 3.39Å; K141-I145 PolarHBondContact O-N 3.44Å; K141-I145 VanDerWaalsContact O-N 3.08Å; S142-I145 PolarHBondContact O-N 2.91Å; I145-L147 VanDerWaalsContact C-N 3.29Å; I145-L147 PolarHBondContact O-N 2.93Å; I145-Q148 WeakPolarHBondContact O-CB 3.23Å; I145-Q148 PolarHBondContact O-N 3.33Å; I145-Q148 VanDerWaalsContact O-N 3.13Å; I145-M149 HydrophobicContact CG2-SD 3.55Å; I145-M149 VanDerWaalsContact CG2-SD 3.55Å; I145-M149 WeakPolarHBondContact O-CG 3.4Å; I145-M149 PolarHBondContact O-N 3.39Å; I145-M149 VanDerWaalsContact O-N 3.11Å; I145-M149 VanDerWaalsContact O-SD 3.39Å
146	G	95.9	Very high	96.1	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-34.9	178.5	0	0	0	0	0	113.1	S142 Q148 M149 H150	S142-G146 PolarHBondContact O-N 2.8Å; G146-Q148 VanDerWaalsContact C-N 3.35Å; G146-Q148 PolarHBondContact O-N 3.03Å; G146-M149 WeakPolarHBondContact O-CB 3.34Å; G146-M149 PolarHBondContact O-N 3.39Å; G146-H150 PolarHBondContact O-CD2 3.12Å; G146-H150 VanDerWaalsContact O-CG 3.31Å; G146-H150 PolarHBondContact O-N 3.44Å
147	L	95.9	Very high	96	Very high	95 Å²	95	64.3 Å²	64.3	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-40.1	175.5	-77.5	166.6	0	0	0	111.6	F32 K143 I145 M149 H150 E151	F32-L147 HydrophobicContact CD2-CD2 4.4Å; F32-L147 HydrophobicContact CE2-CD2 3.74Å; F32-L147 HydrophobicContact CE2-CG 3.76Å; F32-L147 HydrophobicContact CZ-CD2 4.46Å; F32-L147 HydrophobicContact CZ-CG 3.98Å; K143-L147 WeakPolarHBondContact O-CB 3.42Å; K143-L147 WeakPolarHBondContact O-CD1 3.46Å; K143-L147 VanDerWaalsContact O-CG 3.26Å; K143-L147 WeakPolarHBondContact O-CG 3.27Å; K143-L147 PolarHBondContact O-N 2.91Å; K143-L147 VanDerWaalsContact O-N 3.12Å; I145-L147 VanDerWaalsContact C-N 3.29Å; I145-L147 PolarHBondContact O-N 2.93Å; L147-M149 VanDerWaalsContact C-N 3.33Å; L147-M149 PolarHBondContact O-N 3.27Å; L147-H150 PolarHBondContact O-N 2.85Å; L147-E151 PolarHBondContact O-N 3.5Å
148	Q	96.5	Very high	95.9	Very high	129 Å²	129	62.5 Å²	62.5	60%	0.603	30%	0.299	S	S	*	.	H	α-helix	trans	-64	-38.5	173.9	-171.9	-178.9	6.9	0	0	111.8	E144 I145 G146 E151 E152	E144-Q148 PolarHBondContact O-N 3.35Å; I145-Q148 WeakPolarHBondContact O-CB 3.23Å; I145-Q148 PolarHBondContact O-N 3.33Å; I145-Q148 VanDerWaalsContact O-N 3.13Å; G146-Q148 VanDerWaalsContact C-N 3.35Å; G146-Q148 PolarHBondContact O-N 3.03Å; Q148-E151 PolarHBondContact O-N 3.14Å; Q148-E152 PolarHBondContact O-N 3.02Å; Q148-E152 VanDerWaalsContact O-N 3.09Å
149	M	95.4	Very high	95.9	Very high	44 Å²	44	64.5 Å²	64.5	22%	0.217	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-37.8	177	-61.9	150.3	75.5	0	0	111.6	I145 G146 L147 L153 Y257 D261	I145-M149 HydrophobicContact CG2-SD 3.55Å; I145-M149 VanDerWaalsContact CG2-SD 3.55Å; I145-M149 WeakPolarHBondContact O-CG 3.4Å; I145-M149 PolarHBondContact O-N 3.39Å; I145-M149 VanDerWaalsContact O-N 3.11Å; I145-M149 VanDerWaalsContact O-SD 3.39Å; G146-M149 WeakPolarHBondContact O-CB 3.34Å; G146-M149 PolarHBondContact O-N 3.39Å; L147-M149 VanDerWaalsContact C-N 3.33Å; L147-M149 PolarHBondContact O-N 3.27Å; M149-L153 WeakPolarHBondContact O-CB 3.19Å; M149-L153 PolarHBondContact O-N 2.91Å; M149-L153 VanDerWaalsContact O-N 3.12Å; M149-Y257 HydrophobicContact CB-CD2 4.5Å; M149-Y257 HydrophobicContact CB-CE2 4.36Å; M149-D261 HydrophobicContact CE-CB 3.54Å
150	H	95.7	Very high	95.9	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-42.1	172.9	-68.6	-167.3	0	0	0	111.4	L28 F32 G146 L147 L153 L154 Y257	L28-H150 HydrophobicContact CD1-CB 4.31Å; L28-H150 PolarHBondContact O-CE1 3.34Å; F32-H150 AromaticContact CD2-CE1 2.75Å; F32-H150 WeakPolarHBondContact CD2-CE1 3.26Å; F32-H150 AromaticContact CD2-ND1 3.66Å; F32-H150 AromaticContact CE2-CE1 3.18Å; F32-H150 WeakPolarHBondContact CE2-CE1 3.35Å; F32-H150 AromaticContact CE2-ND1 3.47Å; F32-H150 WeakPolarHBondContact CE2-ND1 3.32Å; F32-H150 AromaticContact CG-CE1 3.45Å; F32-H150 VanDerWaalsContact CG-CE1 3.45Å; F32-H150 WeakPolarHBondContact CG-CE1 3.42Å; G146-H150 PolarHBondContact O-CD2 3.12Å; G146-H150 VanDerWaalsContact O-CG 3.31Å; G146-H150 PolarHBondContact O-N 3.44Å; L147-H150 PolarHBondContact O-N 2.85Å; H150-L153 PolarHBondContact O-N 2.86Å; H150-L154 WeakPolarHBondContact O-CB 3.46Å; H150-L154 VanDerWaalsContact O-CG 3.25Å; H150-L154 WeakPolarHBondContact O-CG 3.47Å; H150-L154 PolarHBondContact O-N 3.1Å; H150-Y257 AromaticContact CD2-CE2 3.9Å; H150-Y257 AromaticContact CD2-CZ 3.86Å; H150-Y257 PolarHBondContact CD2-OH 3.4Å; H150-Y257 AromaticContact NE2-CE2 3.65Å; H150-Y257 AromaticContact NE2-CZ 3.12Å; H150-Y257 PolarHBondContact NE2-OH 2.92Å
151	E	96.1	Very high	95.9	Very high	135 Å²	135	60.1 Å²	60.1	63%	0.631	29%	0.287	S	S	*	.	H	α-helix	trans	-61	-48.9	178.2	-175.5	173.3	-168.5	0	0	112	L147 Q148 L153 L154 K155	L147-E151 PolarHBondContact O-N 3.5Å; Q148-E151 PolarHBondContact O-N 3.14Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 2.93Å; E151-L154 PolarHBondContact O-N 3.27Å; E151-K155 WeakPolarHBondContact O-CB 3.45Å; E151-K155 PolarHBondContact O-N 2.86Å
152	E	95.9	Very high	95.8	Very high	88 Å²	88	58.9 Å²	58.9	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-36.7	177	-74.8	-66.6	149.5	0	0	112.3	Q148 L154 K155 V156	Q148-E152 PolarHBondContact O-N 3.02Å; Q148-E152 VanDerWaalsContact O-N 3.09Å; E152-L154 PolarHBondContact O-N 3.1Å; E152-K155 WeakPolarHBondContact O-CB 3.32Å; E152-K155 PolarHBondContact O-N 3.15Å; E152-K155 IonicContact OE1-NZ 2.67Å; E152-K155 PolarHBondContact OE1-NZ 3.43Å; E152-K155 IonicContact OE2-NZ 3.58Å; E152-K155 PolarHBondContact OE2-NZ 3.12Å; E152-V156 WeakPolarHBondContact O-CG2 3.42Å; E152-V156 PolarHBondContact O-N 3.31Å
153	L	95.8	Very high	95.9	Very high	9 Å²	9	60 Å²	60	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-38	175.1	-165.9	67.2	0	0	0	112.4	L28 M149 H150 E151 T157 A253 I254 Y257	L28-L153 HydrophobicContact CD1-CD2 4.36Å; L28-L153 HydrophobicContact CD2-CD2 4.2Å; M149-L153 WeakPolarHBondContact O-CB 3.19Å; M149-L153 PolarHBondContact O-N 2.91Å; M149-L153 VanDerWaalsContact O-N 3.12Å; H150-L153 PolarHBondContact O-N 2.86Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 2.93Å; L153-T157 WeakPolarHBondContact O-CG2 3.44Å; L153-T157 PolarHBondContact O-N 2.77Å; L153-T157 PolarHBondContact O-OG1 2.93Å; L153-A253 HydrophobicContact CD1-CB 4.35Å; L153-I254 HydrophobicContact CD1-CB 4.48Å; L153-I254 HydrophobicContact CD1-CG1 3.77Å; L153-Y257 HydrophobicContact CD2-CD1 3.8Å; L153-Y257 HydrophobicContact CD2-CE1 4.38Å; L153-Y257 HydrophobicContact CD2-CG 3.92Å
154	L	94.6	Very high	95.9	Very high	46 Å²	46	57.4 Å²	57.4	24%	0.241	28%	0.284	C	S	.	.	H	α-helix	trans	-71.5	-33.3	174.8	-69.1	176.7	0	0	0	112.5	R25 L28 H150 E151 E152 T157 N158	R25-L154 HydrophobicContact CG-CD2 3.55Å; L28-L154 HydrophobicContact CD1-CD2 4.48Å; H150-L154 WeakPolarHBondContact O-CB 3.46Å; H150-L154 VanDerWaalsContact O-CG 3.25Å; H150-L154 WeakPolarHBondContact O-CG 3.47Å; H150-L154 PolarHBondContact O-N 3.1Å; E151-L154 PolarHBondContact O-N 3.27Å; E152-L154 PolarHBondContact O-N 3.1Å; L154-T157 WeakPolarHBondContact CA-OG1 3.33Å; L154-T157 PolarHBondContact O-OG1 3.21Å; L154-N158 WeakPolarHBondContact O-CB 3.41Å; L154-N158 PolarHBondContact O-N 3.43Å; L154-N158 PolarHBondContact O-ND2 2.93Å
155	K	96.6	Very high	95.8	Very high	90 Å²	90	58.5 Å²	58.5	39%	0.391	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-52.1	174.3	173.5	176.9	156	-139.5	0	111.8	E151 E152 T157 N158 E159	E151-K155 WeakPolarHBondContact O-CB 3.45Å; E151-K155 PolarHBondContact O-N 2.86Å; E152-K155 WeakPolarHBondContact O-CB 3.32Å; E152-K155 PolarHBondContact O-N 3.15Å; E152-K155 IonicContact OE1-NZ 2.67Å; E152-K155 PolarHBondContact OE1-NZ 3.43Å; E152-K155 IonicContact OE2-NZ 3.58Å; E152-K155 PolarHBondContact OE2-NZ 3.12Å; K155-T157 VanDerWaalsContact C-N 3.27Å; K155-T157 PolarHBondContact O-N 3.02Å; K155-N158 PolarHBondContact O-N 3.06Å; K155-N158 VanDerWaalsContact O-N 3.11Å; K155-E159 WeakPolarHBondContact O-CG 3.45Å; K155-E159 PolarHBondContact O-N 2.86Å
156	V	96.3	Very high	95.7	Very high	30 Å²	30	57 Å²	57	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-34.9	178.6	175.4	0	0	0	0	112	E152 E159 L160 T250 A253	E152-V156 WeakPolarHBondContact O-CG2 3.42Å; E152-V156 PolarHBondContact O-N 3.31Å; V156-E159 PolarHBondContact O-N 2.87Å; V156-L160 PolarHBondContact O-N 3.32Å; V156-T250 HydrophobicContact CG1-CG2 4.18Å; V156-A253 HydrophobicContact CG1-CB 4.44Å
157	T	95.3	Very high	95.7	Very high	3 Å²	3	59 Å²	59	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-71.5	-39.7	173.5	47.5	0	0	0	0	113	Y17 I21 L153 L154 K155 E159 L160 Y161 T250 I254	Y17-T157 WeakPolarHBondContact OH-CA 3.28Å; Y17-T157 WeakPolarHBondContact OH-CB 3.39Å; Y17-T157 PolarHBondContact OH-O 2.76Å; I21-T157 HydrophobicContact CD1-CG2 3.59Å; L153-T157 WeakPolarHBondContact O-CG2 3.44Å; L153-T157 PolarHBondContact O-N 2.77Å; L153-T157 PolarHBondContact O-OG1 2.93Å; L154-T157 WeakPolarHBondContact CA-OG1 3.33Å; L154-T157 PolarHBondContact O-OG1 3.21Å; K155-T157 VanDerWaalsContact C-N 3.27Å; K155-T157 PolarHBondContact O-N 3.02Å; T157-E159 VanDerWaalsContact C-N 3.29Å; T157-E159 PolarHBondContact O-N 2.87Å; T157-L160 PolarHBondContact O-N 3.47Å; T157-Y161 PolarHBondContact O-N 3.1Å; T157-T250 HydrophobicContact CG2-CG2 3.73Å; T157-I254 HydrophobicContact CG2-CD1 4.35Å
158	N	95	Very high	95.7	Very high	82 Å²	82	55.6 Å²	55.6	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-32.5	172.1	-68.7	-31.5	0	0	0	112.7	R25 L154 K155 T162	R25-N158 PolarHBondContact NH2-OD1 3.18Å; L154-N158 WeakPolarHBondContact O-CB 3.41Å; L154-N158 PolarHBondContact O-N 3.43Å; L154-N158 PolarHBondContact O-ND2 2.93Å; K155-N158 PolarHBondContact O-N 3.06Å; K155-N158 VanDerWaalsContact O-N 3.11Å; N158-T162 PolarHBondContact O-N 3.41Å; N158-T162 PolarHBondContact O-OG1 3.21Å
159	E	96.2	Very high	95.6	Very high	87 Å²	87	54 Å²	54	41%	0.407	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-48.8	171.9	-72.7	170.3	-169.3	0	0	110.9	K155 V156 T157 Y161 T162 V163	K155-E159 WeakPolarHBondContact O-CG 3.45Å; K155-E159 PolarHBondContact O-N 2.86Å; V156-E159 PolarHBondContact O-N 2.87Å; T157-E159 VanDerWaalsContact C-N 3.29Å; T157-E159 PolarHBondContact O-N 2.87Å; E159-Y161 VanDerWaalsContact C-N 3.34Å; E159-Y161 PolarHBondContact O-N 3.47Å; E159-T162 WeakPolarHBondContact O-CB 3.32Å; E159-T162 PolarHBondContact O-N 2.86Å; E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.44Å
160	L	96.6	Very high	95.6	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-43.6	176.5	-178.2	60.5	0	0	0	112.8	Y17 V156 T157 T162 V163 M164 Y243 N246 L247 T250	Y17-L160 HydrophobicContact CE2-CD2 3.85Å; Y17-L160 HydrophobicContact CE2-CG 4.36Å; V156-L160 PolarHBondContact O-N 3.32Å; T157-L160 PolarHBondContact O-N 3.47Å; L160-T162 VanDerWaalsContact C-N 3.28Å; L160-T162 PolarHBondContact O-N 3.1Å; L160-V163 PolarHBondContact O-N 3.31Å; L160-M164 VanDerWaalsContact O-CB 3.27Å; L160-M164 WeakPolarHBondContact O-CB 3.18Å; L160-M164 PolarHBondContact O-N 3.07Å; L160-Y243 HydrophobicContact CD1-CD2 3.74Å; L160-Y243 HydrophobicContact CD1-CE2 3.58Å; L160-Y243 HydrophobicContact CG-CE2 4.39Å; L160-N246 HydrophobicContact CD1-CB 4.07Å; L160-L247 HydrophobicContact CD1-CB 4Å; L160-L247 HydrophobicContact CD1-CD1 4.45Å; L160-L247 HydrophobicContact CD2-CD1 3.91Å; L160-T250 HydrophobicContact CD2-CG2 3.8Å
161	Y	95.3	Very high	95.5	Very high	61 Å²	61	58 Å²	58	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-54.2	-45.7	174.3	-178.3	-93.5	0	0	0	112.1	I14 Y17 E18 T157 E159 M164 K165	I14-Y161 HydrophobicContact CG2-CE2 4.03Å; Y17-Y161 AromaticContact CD1-CD2 3.8Å; Y17-Y161 HydrophobicContact CD1-CD2 3.8Å; Y17-Y161 AromaticContact CE1-CD2 3.96Å; Y17-Y161 HydrophobicContact CE1-CD2 3.96Å; Y17-Y161 HydrophobicContact CE1-CG 4.48Å; E18-Y161 HydrophobicContact CG-CE2 3.92Å; E18-Y161 WeakPolarHBondContact OE1-CE2 3.48Å; E18-Y161 PolarHBondContact OE1-OH 2.88Å; T157-Y161 PolarHBondContact O-N 3.1Å; E159-Y161 VanDerWaalsContact C-N 3.34Å; E159-Y161 PolarHBondContact O-N 3.47Å; Y161-M164 PolarHBondContact O-N 3.44Å; Y161-K165 HydrophobicContact CE1-CD 4.32Å; Y161-K165 WeakPolarHBondContact O-CB 3.44Å; Y161-K165 PolarHBondContact O-N 2.81Å
162	T	96	Very high	95.4	Very high	83 Å²	83	54.5 Å²	54.5	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-67.6	-42.8	-176.6	-57.4	0	0	0	0	111.4	N158 E159 L160 T166	N158-T162 PolarHBondContact O-N 3.41Å; N158-T162 PolarHBondContact O-OG1 3.21Å; E159-T162 WeakPolarHBondContact O-CB 3.32Å; E159-T162 PolarHBondContact O-N 2.86Å; L160-T162 VanDerWaalsContact C-N 3.28Å; L160-T162 PolarHBondContact O-N 3.1Å; T162-T166 WeakPolarHBondContact O-CB 3.39Å; T162-T166 PolarHBondContact O-N 3.18Å; T162-T166 VanDerWaalsContact O-N 3.12Å; T162-T166 PolarHBondContact O-OG1 3.4Å
163	V	96.4	Very high	95.3	Very high	30 Å²	30	54.4 Å²	54.4	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-39.1	177.4	-173.7	0	0	0	0	111.4	E159 L160 T166 Y167 D242	E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.44Å; L160-V163 PolarHBondContact O-N 3.31Å; V163-T166 WeakPolarHBondContact O-CB 3.48Å; V163-T166 PolarHBondContact O-N 3.13Å; V163-Y167 PolarHBondContact O-N 3.49Å; V163-D242 HydrophobicContact CG1-CB 3.98Å
164	M	95.4	Very high	95.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-50.1	174.5	-178.3	175.3	62.2	0	0	111.9	I13 I14 Y17 L160 Y161 T166 Y167 H168 Y243	I13-M164 HydrophobicContact CG2-SD 3.8Å; I14-M164 HydrophobicContact CG1-CE 4.19Å; Y17-M164 HydrophobicContact CD1-CE 4.15Å; Y17-M164 HydrophobicContact CD2-CE 4.41Å; Y17-M164 HydrophobicContact CG-CE 3.89Å; L160-M164 VanDerWaalsContact O-CB 3.27Å; L160-M164 WeakPolarHBondContact O-CB 3.18Å; L160-M164 PolarHBondContact O-N 3.07Å; Y161-M164 PolarHBondContact O-N 3.44Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 3.36Å; M164-Y167 WeakPolarHBondContact O-CB 3.49Å; M164-Y167 PolarHBondContact O-N 2.68Å; M164-H168 PolarHBondContact O-N 3.5Å; M164-Y243 HydrophobicContact CB-CD2 3.78Å; M164-Y243 HydrophobicContact CB-CE2 3.57Å; M164-Y243 HydrophobicContact CG-CD2 4.35Å; M164-Y243 HydrophobicContact CG-CE2 3.81Å; M164-Y243 HydrophobicContact SD-CE2 4.28Å
165	K	94.6	Very high	95.1	Very high	108 Å²	108	55.7 Å²	55.7	47%	0.47	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-38.1	177.2	-172.5	173.2	-176.2	171.4	0	112.1	Y161 H168 M169	Y161-K165 HydrophobicContact CE1-CD 4.32Å; Y161-K165 WeakPolarHBondContact O-CB 3.44Å; Y161-K165 PolarHBondContact O-N 2.81Å; K165-H168 PolarHBondContact O-N 3.25Å; K165-M169 PolarHBondContact O-N 3.35Å
166	T	95.1	Very high	94.9	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.6	-59.1	0	0	0	0	111.8	T162 V163 M164 Y170 A239	T162-T166 WeakPolarHBondContact O-CB 3.39Å; T162-T166 PolarHBondContact O-N 3.18Å; T162-T166 VanDerWaalsContact O-N 3.12Å; T162-T166 PolarHBondContact O-OG1 3.4Å; V163-T166 WeakPolarHBondContact O-CB 3.48Å; V163-T166 PolarHBondContact O-N 3.13Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 3.36Å; T166-Y170 HydrophobicContact CG2-CD2 3.92Å; T166-Y170 HydrophobicContact CG2-CE2 3.59Å; T166-Y170 VanDerWaalsContact O-CD2 3.26Å; T166-Y170 WeakPolarHBondContact O-CD2 3.22Å; T166-Y170 PolarHBondContact O-N 2.9Å; T166-A239 HydrophobicContact CG2-CB 4.47Å
167	Y	96	Very high	94.7	Very high	42 Å²	42	52.9 Å²	52.9	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-48.6	172.1	162.1	-119.2	0	0	0	112	V163 M164 M169 Y170 H171 R240 Y243	V163-Y167 PolarHBondContact O-N 3.49Å; M164-Y167 WeakPolarHBondContact O-CB 3.49Å; M164-Y167 PolarHBondContact O-N 2.68Å; Y167-M169 VanDerWaalsContact C-N 3.3Å; Y167-M169 PolarHBondContact O-N 3.18Å; Y167-Y170 PolarHBondContact O-N 3.28Å; Y167-H171 HydrophobicContact CD2-CB 4.39Å; Y167-H171 HydrophobicContact CE2-CB 4Å; Y167-H171 VanDerWaalsContact O-CB 3.24Å; Y167-H171 WeakPolarHBondContact O-CB 3.38Å; Y167-H171 PolarHBondContact O-N 3.2Å; Y167-R240 HydrophobicContact CD2-CB 3.58Å; Y167-R240 HydrophobicContact CD2-CG 4.08Å; Y167-R240 HydrophobicContact CE2-CB 3.57Å; Y167-R240 HydrophobicContact CE2-CG 3.68Å; Y167-R240 HydrophobicContact CG-CB 4.42Å; Y167-Y243 AromaticContact CD1-CD1 3.98Å; Y167-Y243 HydrophobicContact CD1-CD1 3.98Å; Y167-Y243 HydrophobicContact CD1-CE1 4.48Å; Y167-Y243 HydrophobicContact CD1-CG 4.47Å; Y167-Y243 HydrophobicContact CE1-CD1 4.46Å
168	H	94.7	Very high	94.6	Very high	23 Å²	23	55.3 Å²	55.3	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-41.1	179	-66.9	171.9	0	0	0	112.6	D10 M164 K165 H171 A172	D10-H168 HydrophobicContact CB-CB 4.48Å; D10-H168 WeakPolarHBondContact OD1-CB 3.4Å; D10-H168 IonicContact OD1-CE1 2.75Å; D10-H168 IonicContact OD1-CG 2.64Å; D10-H168 IonicContact OD1-ND1 3.43Å; D10-H168 PolarHBondContact OD1-ND1 3.05Å; M164-H168 PolarHBondContact O-N 3.5Å; K165-H168 PolarHBondContact O-N 3.25Å; H168-H171 PolarHBondContact O-N 2.69Å; H168-A172 PolarHBondContact O-N 2.86Å
169	M	94	Very high	94.5	Very high	97 Å²	97	54.9 Å²	54.9	48%	0.478	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-56.7	175.2	-177.3	179.6	69.4	0	0	111.7	K165 Y167 H171 A172 E173	K165-M169 PolarHBondContact O-N 3.35Å; Y167-M169 VanDerWaalsContact C-N 3.3Å; Y167-M169 PolarHBondContact O-N 3.18Å; M169-H171 VanDerWaalsContact C-N 3.28Å; M169-H171 PolarHBondContact O-N 3.45Å; M169-A172 PolarHBondContact O-N 2.94Å; M169-E173 PolarHBondContact O-N 2.98Å
170	Y	95.6	Very high	94.2	Very high	71 Å²	71	55.9 Å²	55.9	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-66.9	-28	-179.5	-68.3	-52.4	0	0	0	113.2	T166 Y167 E173 S174 K235 A239	T166-Y170 HydrophobicContact CG2-CD2 3.92Å; T166-Y170 HydrophobicContact CG2-CE2 3.59Å; T166-Y170 VanDerWaalsContact O-CD2 3.26Å; T166-Y170 WeakPolarHBondContact O-CD2 3.22Å; T166-Y170 PolarHBondContact O-N 2.9Å; Y167-Y170 PolarHBondContact O-N 3.28Å; Y170-E173 PolarHBondContact O-N 2.81Å; Y170-S174 VanDerWaalsContact O-CB 3.29Å; Y170-S174 WeakPolarHBondContact O-CB 3.37Å; Y170-S174 PolarHBondContact O-N 2.87Å; Y170-K235 HydrophobicContact CD1-CB 4.14Å; Y170-K235 HydrophobicContact CE1-CD 4.36Å; Y170-K235 HydrophobicContact CG-CB 4.25Å; Y170-A239 HydrophobicContact CD2-CB 3.77Å; Y170-A239 HydrophobicContact CE2-CB 4.47Å
171	H	94.3	Very high	93.9	Very high	74 Å²	74	56 Å²	56	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-45.5	172.5	-175.5	-125.2	0	0	0	111.6	Y167 H168 M169 S174 I175 C236	Y167-H171 HydrophobicContact CD2-CB 4.39Å; Y167-H171 HydrophobicContact CE2-CB 4Å; Y167-H171 VanDerWaalsContact O-CB 3.24Å; Y167-H171 WeakPolarHBondContact O-CB 3.38Å; Y167-H171 PolarHBondContact O-N 3.2Å; H168-H171 PolarHBondContact O-N 2.69Å; M169-H171 VanDerWaalsContact C-N 3.28Å; M169-H171 PolarHBondContact O-N 3.45Å; H171-S174 PolarHBondContact O-N 3.46Å; H171-I175 WeakPolarHBondContact O-CG1 3.35Å; H171-I175 PolarHBondContact O-N 3.06Å; H171-C236 VanDerWaalsContact CA-SG 3.58Å
172	A	93.6	Very high	93.7	Very high	62 Å²	62	58.6 Å²	58.6	51%	0.512	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-40.9	173.6	0	0	0	0	0	112.3	H168 M169 S174 I175 S176	H168-A172 PolarHBondContact O-N 2.86Å; M169-A172 PolarHBondContact O-N 2.94Å; A172-S174 VanDerWaalsContact C-N 3.35Å; A172-S174 PolarHBondContact O-N 3.01Å; A172-I175 PolarHBondContact O-N 2.84Å; A172-S176 WeakPolarHBondContact O-CB 3.36Å; A172-S176 PolarHBondContact O-N 3.12Å
173	E	93.4	Very high	93.3	Very high	86 Å²	86	59.7 Å²	59.7	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-36.6	173.9	-70.2	-159.5	142.7	0	0	113.1	M169 Y170 A177 N232	M169-E173 PolarHBondContact O-N 2.98Å; Y170-E173 PolarHBondContact O-N 2.81Å; E173-A177 WeakPolarHBondContact O-CB 3.36Å; E173-A177 PolarHBondContact O-N 2.9Å; E173-N232 PolarHBondContact O-ND2 2.67Å
174	S	94	Very high	92.8	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-47.3	176	-175.7	0	0	0	0	111.3	Y170 H171 A172 S176 A177 E178	Y170-S174 VanDerWaalsContact O-CB 3.29Å; Y170-S174 WeakPolarHBondContact O-CB 3.37Å; Y170-S174 PolarHBondContact O-N 2.87Å; H171-S174 PolarHBondContact O-N 3.46Å; A172-S174 VanDerWaalsContact C-N 3.35Å; A172-S174 PolarHBondContact O-N 3.01Å; S174-S176 VanDerWaalsContact C-N 3.33Å; S174-S176 PolarHBondContact O-N 3.43Å; S174-A177 PolarHBondContact O-N 3.48Å; S174-E178 WeakPolarHBondContact O-CB 3.39Å; S174-E178 PolarHBondContact O-N 3.18Å
175	I	93.1	Very high	92.2	Very high	73 Å²	73	60.9 Å²	60.9	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-42.3	175.4	-68.9	168.8	0	0	0	110.8	H171 A172 A177 E178 S179	H171-I175 WeakPolarHBondContact O-CG1 3.35Å; H171-I175 PolarHBondContact O-N 3.06Å; A172-I175 PolarHBondContact O-N 2.84Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 3.21Å; I175-E178 PolarHBondContact O-N 3.4Å; I175-S179 PolarHBondContact O-N 3.09Å; I175-S179 PolarHBondContact O-OG 2.74Å
176	S	92.5	Very high	91.8	Very high	50 Å²	50	61.6 Å²	61.6	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-37.7	177.4	-163.3	0	0	0	0	112.5	A172 S174 K180	A172-S176 WeakPolarHBondContact O-CB 3.36Å; A172-S176 PolarHBondContact O-N 3.12Å; S174-S176 VanDerWaalsContact C-N 3.33Å; S174-S176 PolarHBondContact O-N 3.43Å; S176-K180 VanDerWaalsContact O-CD 3.26Å; S176-K180 WeakPolarHBondContact O-CD 3.18Å; S176-K180 VanDerWaalsContact O-CG 3.29Å; S176-K180 WeakPolarHBondContact O-CG 3.21Å; S176-K180 PolarHBondContact O-N 2.98Å; S176-K180 PolarHBondContact OG-NZ 2.86Å
177	A	92.1	Very high	91	Very high	10 Å²	10	62.2 Å²	62.2	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-40.1	173.1	0	0	0	0	0	111.8	E173 S174 I175 K180 L181 Y229 N232	E173-A177 WeakPolarHBondContact O-CB 3.36Å; E173-A177 PolarHBondContact O-N 2.9Å; S174-A177 PolarHBondContact O-N 3.48Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 3.21Å; A177-K180 PolarHBondContact O-N 3.43Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 PolarHBondContact O-N 2.68Å; A177-Y229 HydrophobicContact CB-CD2 4.36Å; A177-N232 HydrophobicContact CB-CB 4.35Å
178	E	92.4	Very high	90.1	Very high	55 Å²	55	62.4 Å²	62.4	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-43.1	177.8	-159.4	178.2	115.7	0	0	112.5	S174 I175 K180 L181 K182 Y229	S174-E178 WeakPolarHBondContact O-CB 3.39Å; S174-E178 PolarHBondContact O-N 3.18Å; I175-E178 PolarHBondContact O-N 3.4Å; E178-K180 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 2.8Å; E178-L181 PolarHBondContact O-N 2.77Å; E178-K182 HydrophobicContact CG-CD 4.26Å; E178-K182 WeakPolarHBondContact O-CB 3.35Å; E178-K182 WeakPolarHBondContact O-CG 3.46Å; E178-K182 PolarHBondContact O-N 3.11Å; E178-K182 WeakPolarHBondContact OE1-CE 3.33Å; E178-K182 IonicContact OE1-NZ 2.65Å; E178-K182 PolarHBondContact OE1-NZ 2.87Å; E178-Y229 HydrophobicContact CB-CD2 3.74Å; E178-Y229 HydrophobicContact CB-CE2 3.45Å; E178-Y229 VanDerWaalsContact CB-CE2 3.45Å; E178-Y229 HydrophobicContact CG-CD2 4.11Å; E178-Y229 HydrophobicContact CG-CE2 3.5Å; E178-Y229 VanDerWaalsContact CG-CE2 3.5Å; E178-Y229 WeakPolarHBondContact OE2-CE2 3.47Å; E178-Y229 PolarHBondContact OE2-OH 3.15Å
179	S	92.3	Very high	89.1	Confident	73 Å²	73	66.6 Å²	66.6	51%	0.51	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-41.1	175.4	-61.5	0	0	0	0	111.7	I175 K182 E183	I175-S179 PolarHBondContact O-N 3.09Å; I175-S179 PolarHBondContact O-OG 2.74Å; S179-K182 PolarHBondContact O-N 3.24Å; S179-E183 WeakPolarHBondContact O-CB 3.49Å; S179-E183 PolarHBondContact O-N 3.28Å
180	K	91.7	Very high	88	Confident	108 Å²	108	68.4 Å²	68.4	47%	0.47	34%	0.338	S	S	.	.	H	α-helix	trans	-69.6	-32.8	177.9	-70.6	162.9	-174.8	148.4	0	112.4	S176 A177 E178 A184 R225	S176-K180 VanDerWaalsContact O-CD 3.26Å; S176-K180 WeakPolarHBondContact O-CD 3.18Å; S176-K180 VanDerWaalsContact O-CG 3.29Å; S176-K180 WeakPolarHBondContact O-CG 3.21Å; S176-K180 PolarHBondContact O-N 2.98Å; S176-K180 PolarHBondContact OG-NZ 2.86Å; A177-K180 PolarHBondContact O-N 3.43Å; E178-K180 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 2.8Å; K180-A184 PolarHBondContact O-N 2.67Å; K180-R225 WeakPolarHBondContact O-CD 3.24Å
181	L	89.9	Confident	86.4	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-51.7	171.7	173.9	59.7	0	0	0	111	A177 E178 E183 A184 E185 K222 R225 Q226 Y229	A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 PolarHBondContact O-N 2.68Å; E178-L181 PolarHBondContact O-N 2.77Å; L181-E183 PolarHBondContact O-N 3.43Å; L181-A184 WeakPolarHBondContact O-CA 3.34Å; L181-A184 WeakPolarHBondContact O-CB 3.23Å; L181-A184 PolarHBondContact O-N 2.85Å; L181-E185 HydrophobicContact CD1-CG 4.28Å; L181-E185 WeakPolarHBondContact O-CG 3.31Å; L181-E185 PolarHBondContact O-N 3.42Å; L181-K222 HydrophobicContact CD1-CG 4.19Å; L181-R225 HydrophobicContact CB-CB 4.5Å; L181-R225 HydrophobicContact CD1-CB 4.32Å; L181-Q226 HydrophobicContact CD1-CB 4.06Å; L181-Y229 HydrophobicContact CD2-CD1 3.51Å; L181-Y229 HydrophobicContact CD2-CE1 4.21Å; L181-Y229 HydrophobicContact CD2-CG 3.88Å
182	K	90.1	Very high	84.7	Confident	116 Å²	116	71.8 Å²	71.8	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-33.1	177.2	-74.3	172.1	171.9	171.8	0	113.1	E178 S179 E185 K186	E178-K182 HydrophobicContact CG-CD 4.26Å; E178-K182 WeakPolarHBondContact O-CB 3.35Å; E178-K182 WeakPolarHBondContact O-CG 3.46Å; E178-K182 PolarHBondContact O-N 3.11Å; E178-K182 WeakPolarHBondContact OE1-CE 3.33Å; E178-K182 IonicContact OE1-NZ 2.65Å; E178-K182 PolarHBondContact OE1-NZ 2.87Å; S179-K182 PolarHBondContact O-N 3.24Å; K182-E185 WeakPolarHBondContact CA-OE2 3.44Å; K182-K186 VanDerWaalsContact O-CB 3.3Å; K182-K186 WeakPolarHBondContact O-CB 3.41Å; K182-K186 PolarHBondContact O-N 3.46Å
183	E	88.2	Confident	82.9	Confident	106 Å²	106	74.9 Å²	74.9	50%	0.495	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-37.9	171	-157.6	-159.7	154.4	0	0	112.2	S179 L181 K186 Q187	S179-E183 WeakPolarHBondContact O-CB 3.49Å; S179-E183 PolarHBondContact O-N 3.28Å; L181-E183 PolarHBondContact O-N 3.43Å; E183-K186 PolarHBondContact O-N 3.46Å; E183-Q187 WeakPolarHBondContact O-CB 3.5Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 2.96Å; E183-Q187 PolarHBondContact OE1-NE2 2.89Å
184	A	84.9	Confident	80.9	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.008	38%	0.382	C	S	.	.	H	α-helix	trans	-66.7	-43.7	176.2	0	0	0	0	0	112.2	K180 L181 Q187 E188 K222	K180-A184 PolarHBondContact O-N 2.67Å; L181-A184 WeakPolarHBondContact O-CA 3.34Å; L181-A184 WeakPolarHBondContact O-CB 3.23Å; L181-A184 PolarHBondContact O-N 2.85Å; A184-Q187 WeakPolarHBondContact O-CB 3.44Å; A184-Q187 PolarHBondContact O-N 2.86Å; A184-Q187 VanDerWaalsContact O-N 3.11Å; A184-E188 PolarHBondContact O-N 3.17Å; A184-K222 HydrophobicContact CB-CB 4.22Å
185	E	84.4	Confident	78.8	Confident	56 Å²	56	83.6 Å²	83.6	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-59.5	-48.1	174.9	-68.3	168.5	146.4	0	0	110	L181 K182 Q187 E188 E189 K222	L181-E185 HydrophobicContact CD1-CG 4.28Å; L181-E185 WeakPolarHBondContact O-CG 3.31Å; L181-E185 PolarHBondContact O-N 3.42Å; K182-E185 WeakPolarHBondContact CA-OE2 3.44Å; E185-Q187 PolarHBondContact O-N 3.5Å; E185-E188 WeakPolarHBondContact O-CB 3.25Å; E185-E188 PolarHBondContact O-N 3.49Å; E185-E188 VanDerWaalsContact O-N 3.09Å; E185-E189 WeakPolarHBondContact O-CG 3.34Å; E185-E189 PolarHBondContact O-N 2.95Å; E185-K222 HydrophobicContact CG-CD 4.13Å; E185-K222 HydrophobicContact CG-CG 4.37Å
186	K	84.9	Confident	76.6	Confident	124 Å²	124	83.1 Å²	83.1	54%	0.539	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-18.8	175.3	-163.1	167.4	-169.8	168.2	0	114.1	K182 E183 K190	K182-K186 VanDerWaalsContact O-CB 3.3Å; K182-K186 WeakPolarHBondContact O-CB 3.41Å; K182-K186 PolarHBondContact O-N 3.46Å; E183-K186 PolarHBondContact O-N 3.46Å; K186-K190 WeakPolarHBondContact O-CB 3.39Å; K186-K190 VanDerWaalsContact O-CD 3.28Å; K186-K190 WeakPolarHBondContact O-CD 3.49Å; K186-K190 WeakPolarHBondContact O-CG 3.42Å
187	Q	78.8	Confident	74.3	Confident	64 Å²	64	88 Å²	88	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-82.5	-35.3	171.4	-75.7	166.3	12.2	0	0	111.7	E183 A184 E185 Q191	E183-Q187 WeakPolarHBondContact O-CB 3.5Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 2.96Å; E183-Q187 PolarHBondContact OE1-NE2 2.89Å; A184-Q187 WeakPolarHBondContact O-CB 3.44Å; A184-Q187 PolarHBondContact O-N 2.86Å; A184-Q187 VanDerWaalsContact O-N 3.11Å; E185-Q187 PolarHBondContact O-N 3.5Å; Q187-Q191 PolarHBondContact O-N 3.05Å
188	E	76.8	Confident	72.3	Confident	46 Å²	46	95.4 Å²	95.4	22%	0.215	48%	0.482	C	S	.	.	H	α-helix	trans	-67.6	-51.9	174	-178.6	-172.9	-114.9	0	0	111.3	A184 E185 K190 Q191 F192 I218 K222	A184-E188 PolarHBondContact O-N 3.17Å; E185-E188 WeakPolarHBondContact O-CB 3.25Å; E185-E188 PolarHBondContact O-N 3.49Å; E185-E188 VanDerWaalsContact O-N 3.09Å; E188-K190 PolarHBondContact O-N 2.99Å; E188-Q191 PolarHBondContact O-N 3.22Å; E188-F192 PolarHBondContact O-N 2.94Å; E188-I218 HydrophobicContact CB-CG2 4.03Å; E188-K222 VanDerWaalsContact OE1-CD 3.25Å; E188-K222 WeakPolarHBondContact OE1-CD 3.25Å; E188-K222 IonicContact OE1-NZ 3.41Å; E188-K222 PolarHBondContact OE1-NZ 3.35Å; E188-K222 WeakPolarHBondContact OE2-CD 3.43Å; E188-K222 IonicContact OE2-NZ 2.62Å; E188-K222 PolarHBondContact OE2-NZ 2.99Å
189	E	73.8	Confident	69.7	Low	112 Å²	112	98.5 Å²	98.5	52%	0.523	51%	0.51	S	S	.	.	H	α-helix	trans	-51.7	-42.7	173.5	-71.8	174.8	164	0	0	112	E185 Q191 F192 N193	E185-E189 WeakPolarHBondContact O-CG 3.34Å; E185-E189 PolarHBondContact O-N 2.95Å; E189-Q191 VanDerWaalsContact C-N 3.28Å; E189-Q191 PolarHBondContact O-N 3.17Å; E189-F192 PolarHBondContact O-N 2.97Å; E189-N193 WeakPolarHBondContact O-CB 3.45Å; E189-N193 PolarHBondContact O-N 2.94Å
190	K	70.6	Confident	67.3	Low	135 Å²	135	102.7 Å²	102.7	59%	0.587	52%	0.523	S	S	*	.	H	α-helix	trans	-66.9	-23	178	-80.2	176.3	-178	-178.1	0	114.1	K186 E188	K186-K190 WeakPolarHBondContact O-CB 3.39Å; K186-K190 VanDerWaalsContact O-CD 3.28Å; K186-K190 WeakPolarHBondContact O-CD 3.49Å; K186-K190 WeakPolarHBondContact O-CG 3.42Å; E188-K190 PolarHBondContact O-N 2.99Å
191	Q	62.4	Low	64.5	Low	69 Å²	69	104 Å²	104	32%	0.322	54%	0.536	S	S	.	.	H	α-helix	trans	-87.3	-34.6	171	-66.9	-154.7	-0.9	0	0	112.2	Q187 E188 E189 K194 S195 I218	Q187-Q191 PolarHBondContact O-N 3.05Å; E188-Q191 PolarHBondContact O-N 3.22Å; E189-Q191 VanDerWaalsContact C-N 3.28Å; E189-Q191 PolarHBondContact O-N 3.17Å; Q191-K194 PolarHBondContact O-N 2.69Å; Q191-S195 PolarHBondContact O-N 3.03Å; Q191-S195 PolarHBondContact O-OG 3.18Å; Q191-I218 VanDerWaalsContact CD-CD1 3.43Å; Q191-I218 HydrophobicContact CG-CD1 4.28Å
192	F	58.5	Low	62.4	Low	147 Å²	147	111.3 Å²	111.3	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-65.8	-47.6	175	-120.3	-85.3	0	0	0	111.9	E188 E189 K194 S195	E188-F192 PolarHBondContact O-N 2.94Å; E189-F192 PolarHBondContact O-N 2.97Å; F192-K194 VanDerWaalsContact C-N 3.28Å; F192-K194 PolarHBondContact O-N 3.45Å; F192-S195 WeakPolarHBondContact O-CA 3.35Å; F192-S195 VanDerWaalsContact O-CB 3.27Å; F192-S195 WeakPolarHBondContact O-CB 3.46Å; F192-S195 PolarHBondContact O-N 2.86Å
193	N	55.2	Low	60	Low	127 Å²	127	113.3 Å²	113.3	68%	0.679	59%	0.589	S	S	*	*	H	α-helix	trans	-65.8	-30.9	178.7	-67.6	-8.6	0	0	0	112.2	E189 S195 G196	E189-N193 WeakPolarHBondContact O-CB 3.45Å; E189-N193 PolarHBondContact O-N 2.94Å; N193-S195 PolarHBondContact O-N 3.16Å; N193-G196 PolarHBondContact O-N 3.33Å
194	K	52.9	Low	57.5	Low	185 Å²	185	120.2 Å²	120.2	80%	0.804	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-4.3	169.2	-97.9	-170.6	172.1	-173.6	0	114.7	Q191 F192	Q191-K194 PolarHBondContact O-N 2.69Å; F192-K194 VanDerWaalsContact C-N 3.28Å; F192-K194 PolarHBondContact O-N 3.45Å
195	S	48.5	Very low	55.4	Low	92 Å²	92	128.1 Å²	128.1	64%	0.643	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-7.5	176.7	-52.6	0	0	0	0	113.2	Q191 F192 N193	Q191-S195 PolarHBondContact O-N 3.03Å; Q191-S195 PolarHBondContact O-OG 3.18Å; F192-S195 WeakPolarHBondContact O-CA 3.35Å; F192-S195 VanDerWaalsContact O-CB 3.27Å; F192-S195 WeakPolarHBondContact O-CB 3.46Å; F192-S195 PolarHBondContact O-N 2.86Å; N193-S195 PolarHBondContact O-N 3.16Å
196	G	47.8	Very low	53.3	Low	63 Å²	63	133 Å²	133	65%	0.649	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-28.2	178.9	0	0	0	0	0	114.6	N193 L198	N193-G196 PolarHBondContact O-N 3.33Å; G196-L198 VanDerWaalsContact C-N 3.34Å; G196-L198 PolarHBondContact O-N 3.32Å
197	D	43.5	Very low	51.3	Low	153 Å²	153	134.4 Å²	134.4	82%	0.818	68%	0.683	S	S	*	*	S	Bend	trans	-95	32.3	-167	-158.1	27.1	0	0	0	114
198	L	50.2	Low	49.9	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	71%	0.712	S	S	*	*			trans	-155.6	67	179	-111.9	143.6	0	0	0	111.8	G196	G196-L198 VanDerWaalsContact C-N 3.34Å; G196-L198 PolarHBondContact O-N 3.32Å
199	S	38.3	Very low	48.6	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	73%	0.729	S	S	*	*			trans	-144.8	55.1	169.4	-173.3	0	0	0	0	112.6
200	M	42.5	Very low	47.3	Very low	161 Å²	161	146.2 Å²	146.2	79%	0.793	74%	0.736	S	S	*	*	S	Bend	trans	-129.4	120.6	163.1	-116.8	-74.9	-95.5	0	0	109.2
201	N	33.1	Very low	46.3	Very low	137 Å²	137	150.1 Å²	150.1	73%	0.733	75%	0.747	S	S	*	*			trans	64.3	109.6	171.9	-61.3	-27.7	0	0	0	120.1
202	L	44.4	Very low	46	Very low	159 Å²	159	157.1 Å²	157.1	83%	0.832	77%	0.771	S	S	*	*			trans	20.8	145.6	139.9	-115.4	70.6	0	0	0	123.6
203	L	40.9	Very low	46	Very low	158 Å²	158	153.8 Å²	153.8	83%	0.827	77%	0.765	S	S	*	*			trans	103.7	134	150.2	-71.5	158.1	0	0	0	120.2
204	R	34.9	Very low	46.3	Very low	250 Å²	250	149.8 Å²	149.8	94%	0.943	75%	0.747	S	S	*	*			trans	78.3	160.4	176.2	-63.1	-162	170.8	-147.7	-2.9	118
205	H	41.8	Very low	47	Very low	168 Å²	168	143.7 Å²	143.7	78%	0.778	73%	0.726	S	S	*	*			trans	-122	175	-151.3	-135.6	-91.8	0	0	0	111
206	E	40.3	Very low	48.2	Very low	158 Å²	158	146.3 Å²	146.3	74%	0.738	73%	0.726	S	S	*	*			trans	58.7	78.1	171	-57.2	-47.4	93	0	0	117.5
207	D	41.4	Very low	49.6	Very low	153 Å²	153	150.5 Å²	150.5	82%	0.818	73%	0.726	S	S	*	*				-171.8	107.8	119.6	-130.4	-27.2	0	0	0	111.6
208	R	50.6	Low	51.2	Low	239 Å²	239	144.4 Å²	144.4	90%	0.902	69%	0.693	S	S	*	*			trans	-146.3	17.9	-175.2	-122.1	176.8	-171.7	-167.8	2.9	121.8
209	P	48.9	Very low	52.6	Low	89 Å²	89	141.5 Å²	141.5	58%	0.578	68%	0.675	S	S	*	*	S	Bend	trans	-79.9	-53.2	167.3	-12.1	28.2	0	0	0	113.9	R211 R212	P209-R211 PolarHBondContact O-N 3.14Å; P209-R212 PolarHBondContact O-N 3.11Å
210	Q	46.9	Very low	54.7	Low	142 Å²	142	142.9 Å²	142.9	66%	0.664	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-47.7	-162.4	-109.1	67.1	-16.8	0	0	114.6	R212 S213	Q210-R212 VanDerWaalsContact C-N 3.31Å; Q210-R212 PolarHBondContact O-N 3.29Å; Q210-S213 WeakPolarHBondContact O-CB 3.34Å; Q210-S213 PolarHBondContact O-N 2.78Å; Q210-S213 VanDerWaalsContact O-N 3.08Å; Q210-S213 PolarHBondContact O-OG 3Å
211	R	49.7	Very low	56.6	Low	218 Å²	218	138.5 Å²	138.5	82%	0.823	64%	0.644	S	S	*	*	H	α-helix	trans	-67	-22.4	-169.2	-67.2	-170.3	-175.5	-173.4	4.4	114.8	P209 S213 S214	P209-R211 PolarHBondContact O-N 3.14Å; R211-S213 VanDerWaalsContact C-N 3.3Å; R211-S214 PolarHBondContact O-OG 3.19Å
212	R	55	Low	59.2	Low	215 Å²	215	134.6 Å²	134.6	81%	0.811	62%	0.621	S	S	*	*	H	α-helix	trans	-75	-18.5	174.5	-91.6	-177.7	168.9	177.3	-3	113.2	P209 Q210	P209-R212 PolarHBondContact O-N 3.11Å; Q210-R212 VanDerWaalsContact C-N 3.31Å; Q210-R212 PolarHBondContact O-N 3.29Å
213	S	60	Low	61.3	Low	77 Å²	77	133.2 Å²	133.2	54%	0.538	61%	0.61	S	S	.	*	H	α-helix	trans	-78.9	-36.6	-179.9	73.3	0	0	0	0	113.2	Q210 R211 K217	Q210-S213 WeakPolarHBondContact O-CB 3.34Å; Q210-S213 PolarHBondContact O-N 2.78Å; Q210-S213 VanDerWaalsContact O-N 3.08Å; Q210-S213 PolarHBondContact O-OG 3Å; R211-S213 VanDerWaalsContact C-N 3.3Å; S213-K217 WeakPolarHBondContact O-CB 3.28Å; S213-K217 PolarHBondContact O-N 3.31Å; S213-K217 VanDerWaalsContact O-N 3.11Å
214	S	59.7	Low	63.6	Low	43 Å²	43	133.7 Å²	133.7	30%	0.301	61%	0.606	S	S	.	*	H	α-helix	trans	-70.1	-40.5	-177.3	57.2	0	0	0	0	112.5	R211 K217 I218	R211-S214 PolarHBondContact O-OG 3.19Å; S214-K217 WeakPolarHBondContact O-CB 3.39Å; S214-K217 PolarHBondContact O-N 3.23Å; S214-I218 PolarHBondContact O-N 2.72Å
215	V	67.9	Low	66.2	Low	57 Å²	57	125 Å²	125	35%	0.345	57%	0.573	S	S	.	*	H	α-helix	trans	-61.4	-53.3	177.9	-178.7	0	0	0	0	110	K217 I218 E219	V215-K217 PolarHBondContact O-N 2.88Å; V215-I218 PolarHBondContact O-N 3.49Å; V215-E219 WeakPolarHBondContact O-CB 3.35Å; V215-E219 PolarHBondContact O-N 3.18Å
216	K	74.6	Confident	68.6	Low	148 Å²	148	120.4 Å²	120.4	64%	0.643	55%	0.551	S	S	*	*	H	α-helix	trans	-58.2	-31.2	175.9	-72	-167.7	169.8	-166.1	0	113.8	K220	K216-K220 VanDerWaalsContact O-CB 3.31Å; K216-K220 WeakPolarHBondContact O-CB 3.31Å; K216-K220 PolarHBondContact O-N 3.43Å; K216-K220 VanDerWaalsContact O-N 3.08Å
217	K	76.9	Confident	71	Confident	151 Å²	151	115.8 Å²	115.8	66%	0.657	54%	0.54	S	S	*	.	H	α-helix	trans	-71.9	-31.6	175.8	-172.9	174.7	179.4	178.5	0	112.5	S213 S214 V215 M221	S213-K217 WeakPolarHBondContact O-CB 3.28Å; S213-K217 PolarHBondContact O-N 3.31Å; S213-K217 VanDerWaalsContact O-N 3.11Å; S214-K217 WeakPolarHBondContact O-CB 3.39Å; S214-K217 PolarHBondContact O-N 3.23Å; V215-K217 PolarHBondContact O-N 2.88Å; K217-M221 WeakPolarHBondContact O-CB 3.3Å; K217-M221 PolarHBondContact O-N 2.83Å
218	I	76.3	Confident	73.4	Confident	25 Å²	25	114.3 Å²	114.3	13%	0.128	53%	0.527	C	S	.	.	H	α-helix	trans	-82.5	-41.7	176.5	-72.9	167.3	0	0	0	111	E188 Q191 S214 V215 K220 M221 K222	E188-I218 HydrophobicContact CB-CG2 4.03Å; Q191-I218 VanDerWaalsContact CD-CD1 3.43Å; Q191-I218 HydrophobicContact CG-CD1 4.28Å; S214-I218 PolarHBondContact O-N 2.72Å; V215-I218 PolarHBondContact O-N 3.49Å; I218-K220 PolarHBondContact O-N 3.26Å; I218-M221 CarbonylContact O-C 3.51Å; I218-M221 WeakPolarHBondContact O-CA 3.36Å; I218-M221 WeakPolarHBondContact O-CB 3.42Å; I218-M221 PolarHBondContact O-N 3.22Å; I218-K222 PolarHBondContact O-N 2.93Å
219	E	79.6	Confident	75.5	Confident	105 Å²	105	104.1 Å²	104.1	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-51.3	-53.1	170.3	-177.4	178	-147.4	0	0	110.8	V215 M221 K222 E223	V215-E219 WeakPolarHBondContact O-CB 3.35Å; V215-E219 PolarHBondContact O-N 3.18Å; E219-M221 VanDerWaalsContact C-N 3.26Å; E219-M221 PolarHBondContact O-N 2.95Å; E219-K222 WeakPolarHBondContact O-CB 3.26Å; E219-K222 PolarHBondContact O-N 2.85Å; E219-E223 WeakPolarHBondContact O-CB 3.41Å; E219-E223 PolarHBondContact O-N 3.3Å
220	K	83.6	Confident	77.5	Confident	148 Å²	148	102.7 Å²	102.7	64%	0.643	48%	0.481	S	S	*	.	H	α-helix	trans	-65.4	-23.9	174.5	-170.1	164.8	-173.7	166.3	0	114.1	K216 I218 K224	K216-K220 VanDerWaalsContact O-CB 3.31Å; K216-K220 WeakPolarHBondContact O-CB 3.31Å; K216-K220 PolarHBondContact O-N 3.43Å; K216-K220 VanDerWaalsContact O-N 3.08Å; I218-K220 PolarHBondContact O-N 3.26Å; K220-K224 WeakPolarHBondContact O-CB 3.22Å; K220-K224 PolarHBondContact O-N 3.43Å; K220-K224 VanDerWaalsContact O-N 3.14Å
221	M	83.1	Confident	79.8	Confident	68 Å²	68	100.5 Å²	100.5	34%	0.335	47%	0.47	S	S	.	.	H	α-helix	trans	-78.3	-38.9	174.9	-167.9	-173.9	-54.5	0	0	111.6	K217 I218 E219 R225	K217-M221 WeakPolarHBondContact O-CB 3.3Å; K217-M221 PolarHBondContact O-N 2.83Å; I218-M221 CarbonylContact O-C 3.51Å; I218-M221 WeakPolarHBondContact O-CA 3.36Å; I218-M221 WeakPolarHBondContact O-CB 3.42Å; I218-M221 PolarHBondContact O-N 3.22Å; E219-M221 VanDerWaalsContact C-N 3.26Å; E219-M221 PolarHBondContact O-N 2.95Å; M221-R225 WeakPolarHBondContact O-CB 3.49Å; M221-R225 WeakPolarHBondContact O-CD 3.37Å; M221-R225 VanDerWaalsContact O-CG 3.29Å; M221-R225 WeakPolarHBondContact O-CG 3.47Å; M221-R225 PolarHBondContact O-N 2.94Å; M221-R225 VanDerWaalsContact O-N 3.07Å; M221-R225 VanDerWaalsContact SD-CZ 3.6Å; M221-R225 PolarHBondContact SD-NH1 2.85Å; M221-R225 VanDerWaalsContact SD-NH1 3.44Å
222	K	85.9	Confident	81.9	Confident	55 Å²	55	90.5 Å²	90.5	24%	0.239	43%	0.433	C	S	.	.	H	α-helix	trans	-63.1	-50.2	170	174.4	-175.6	170.2	-177.7	0	110.1	L181 A184 E185 E188 I218 E219 K224 R225 Q226	L181-K222 HydrophobicContact CD1-CG 4.19Å; A184-K222 HydrophobicContact CB-CB 4.22Å; E185-K222 HydrophobicContact CG-CD 4.13Å; E185-K222 HydrophobicContact CG-CG 4.37Å; E188-K222 VanDerWaalsContact OE1-CD 3.25Å; E188-K222 WeakPolarHBondContact OE1-CD 3.25Å; E188-K222 IonicContact OE1-NZ 3.41Å; E188-K222 PolarHBondContact OE1-NZ 3.35Å; E188-K222 WeakPolarHBondContact OE2-CD 3.43Å; E188-K222 IonicContact OE2-NZ 2.62Å; E188-K222 PolarHBondContact OE2-NZ 2.99Å; I218-K222 PolarHBondContact O-N 2.93Å; E219-K222 WeakPolarHBondContact O-CB 3.26Å; E219-K222 PolarHBondContact O-N 2.85Å; K222-K224 VanDerWaalsContact C-N 3.34Å; K222-K224 PolarHBondContact O-N 2.91Å; K222-R225 CarbonylContact O-C 3.57Å; K222-R225 WeakPolarHBondContact O-CA 3.29Å; K222-R225 PolarHBondContact O-N 3.42Å; K222-Q226 WeakPolarHBondContact O-CB 3.32Å; K222-Q226 PolarHBondContact O-N 3.06Å
223	E	88.5	Confident	83.8	Confident	131 Å²	131	85 Å²	85	61%	0.612	42%	0.415	S	S	*	.	H	α-helix	trans	-52.6	-48.7	175.2	-175.9	-172.3	-149.7	0	0	111.9	E219 R225 Q226 A227	E219-E223 WeakPolarHBondContact O-CB 3.41Å; E219-E223 PolarHBondContact O-N 3.3Å; E223-R225 VanDerWaalsContact C-N 3.32Å; E223-R225 PolarHBondContact O-N 2.98Å; E223-Q226 WeakPolarHBondContact O-CB 3.39Å; E223-Q226 PolarHBondContact O-N 3.44Å; E223-A227 PolarHBondContact O-N 3.07Å
224	K	89.5	Confident	85.4	Confident	168 Å²	168	86.1 Å²	86.1	73%	0.73	42%	0.415	S	S	*	.	H	α-helix	trans	-63.4	-34.6	176.5	-173	172.2	-177.3	175.5	0	113.2	K220 K222 K228	K220-K224 WeakPolarHBondContact O-CB 3.22Å; K220-K224 PolarHBondContact O-N 3.43Å; K220-K224 VanDerWaalsContact O-N 3.14Å; K222-K224 VanDerWaalsContact C-N 3.34Å; K222-K224 PolarHBondContact O-N 2.91Å; K224-K228 PolarHBondContact O-N 3.5Å
225	R	90.5	Very high	87.2	Confident	68 Å²	68	87.9 Å²	87.9	26%	0.257	42%	0.417	S	S	.	.	H	α-helix	trans	-74.8	-35.6	175.1	-73.5	167.1	172.6	162	-1.9	111.9	K180 L181 M221 K222 E223 K228 Y229	K180-R225 WeakPolarHBondContact O-CD 3.24Å; L181-R225 HydrophobicContact CB-CB 4.5Å; L181-R225 HydrophobicContact CD1-CB 4.32Å; M221-R225 WeakPolarHBondContact O-CB 3.49Å; M221-R225 WeakPolarHBondContact O-CD 3.37Å; M221-R225 VanDerWaalsContact O-CG 3.29Å; M221-R225 WeakPolarHBondContact O-CG 3.47Å; M221-R225 PolarHBondContact O-N 2.94Å; M221-R225 VanDerWaalsContact O-N 3.07Å; M221-R225 VanDerWaalsContact SD-CZ 3.6Å; M221-R225 PolarHBondContact SD-NH1 2.85Å; M221-R225 VanDerWaalsContact SD-NH1 3.44Å; K222-R225 CarbonylContact O-C 3.57Å; K222-R225 WeakPolarHBondContact O-CA 3.29Å; K222-R225 PolarHBondContact O-N 3.42Å; E223-R225 VanDerWaalsContact C-N 3.32Å; E223-R225 PolarHBondContact O-N 2.98Å; R225-K228 PolarHBondContact O-N 3.32Å; R225-Y229 WeakPolarHBondContact O-CB 3.32Å; R225-Y229 PolarHBondContact O-N 3.41Å
226	Q	91.1	Very high	88.5	Confident	70 Å²	70	85.7 Å²	85.7	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-47.3	174.5	178.9	64.5	67.9	0	0	110.6	L181 K222 E223 K228 Y229 S230	L181-Q226 HydrophobicContact CD1-CB 4.06Å; K222-Q226 WeakPolarHBondContact O-CB 3.32Å; K222-Q226 PolarHBondContact O-N 3.06Å; E223-Q226 WeakPolarHBondContact O-CB 3.39Å; E223-Q226 PolarHBondContact O-N 3.44Å; Q226-K228 PolarHBondContact O-N 2.87Å; Q226-Y229 PolarHBondContact O-N 3.18Å; Q226-S230 PolarHBondContact NE2-OG 2.95Å; Q226-S230 WeakPolarHBondContact O-CB 3.13Å; Q226-S230 PolarHBondContact O-N 3.17Å; Q226-S230 PolarHBondContact O-OG 3.35Å; Q226-S230 VanDerWaalsContact O-OG 3.11Å
227	A	91.8	Very high	89.5	Confident	61 Å²	61	81.1 Å²	81.1	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-58.5	-47.7	175.2	0	0	0	0	0	111.7	E223 Y229 S230 E231	E223-A227 PolarHBondContact O-N 3.07Å; A227-Y229 PolarHBondContact O-N 3Å; A227-S230 PolarHBondContact O-N 3.06Å; A227-E231 WeakPolarHBondContact O-CB 3.5Å; A227-E231 PolarHBondContact O-N 3.18Å
228	K	92.2	Very high	90.4	Very high	122 Å²	122	80 Å²	80	53%	0.53	38%	0.384	S	S	.	.	H	α-helix	trans	-67.4	-33.8	177.4	-177.2	157.5	-176.1	156.9	0	113.3	K224 R225 Q226 N232	K224-K228 PolarHBondContact O-N 3.5Å; R225-K228 PolarHBondContact O-N 3.32Å; Q226-K228 PolarHBondContact O-N 2.87Å; K228-N232 WeakPolarHBondContact O-CB 3.42Å; K228-N232 PolarHBondContact O-N 3.36Å
229	Y	93.1	Very high	91.4	Very high	25 Å²	25	79 Å²	79	10%	0.098	38%	0.38	C	S	.	.	H	α-helix	trans	-65.5	-46.9	171.6	170	-115.5	0	0	0	111.2	A177 E178 L181 R225 Q226 A227 E231 N232 K233	A177-Y229 HydrophobicContact CB-CD2 4.36Å; E178-Y229 HydrophobicContact CB-CD2 3.74Å; E178-Y229 HydrophobicContact CB-CE2 3.45Å; E178-Y229 VanDerWaalsContact CB-CE2 3.45Å; E178-Y229 HydrophobicContact CG-CD2 4.11Å; E178-Y229 HydrophobicContact CG-CE2 3.5Å; E178-Y229 VanDerWaalsContact CG-CE2 3.5Å; E178-Y229 WeakPolarHBondContact OE2-CE2 3.47Å; E178-Y229 PolarHBondContact OE2-OH 3.15Å; L181-Y229 HydrophobicContact CD2-CD1 3.51Å; L181-Y229 HydrophobicContact CD2-CE1 4.21Å; L181-Y229 HydrophobicContact CD2-CG 3.88Å; R225-Y229 WeakPolarHBondContact O-CB 3.32Å; R225-Y229 PolarHBondContact O-N 3.41Å; Q226-Y229 PolarHBondContact O-N 3.18Å; A227-Y229 PolarHBondContact O-N 3Å; Y229-E231 VanDerWaalsContact C-N 3.31Å; Y229-E231 PolarHBondContact O-N 3.49Å; Y229-N232 PolarHBondContact O-N 3.02Å; Y229-K233 HydrophobicContact CE1-CD 4Å; Y229-K233 HydrophobicContact CE2-CB 4.43Å; Y229-K233 HydrophobicContact CE2-CD 4.21Å; Y229-K233 WeakPolarHBondContact O-CB 3.22Å; Y229-K233 PolarHBondContact O-N 3.36Å; Y229-K233 PolarHBondContact OH-NZ 2.97Å
230	S	92.6	Very high	92.3	Very high	60 Å²	60	79.3 Å²	79.3	42%	0.42	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-40.6	175.8	-63.4	0	0	0	0	112.3	Q226 A227 L234	Q226-S230 PolarHBondContact NE2-OG 2.95Å; Q226-S230 WeakPolarHBondContact O-CB 3.13Å; Q226-S230 PolarHBondContact O-N 3.17Å; Q226-S230 PolarHBondContact O-OG 3.35Å; Q226-S230 VanDerWaalsContact O-OG 3.11Å; A227-S230 PolarHBondContact O-N 3.06Å; S230-L234 WeakPolarHBondContact O-CB 3.42Å; S230-L234 PolarHBondContact O-N 3.4Å
231	E	93.9	Very high	92.9	Very high	95 Å²	95	75.7 Å²	75.7	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-52.8	174.7	-169	-159.1	152	0	0	112	A227 Y229 K233 L234 K235	A227-E231 WeakPolarHBondContact O-CB 3.5Å; A227-E231 PolarHBondContact O-N 3.18Å; Y229-E231 VanDerWaalsContact C-N 3.31Å; Y229-E231 PolarHBondContact O-N 3.49Å; E231-K233 VanDerWaalsContact C-N 3.32Å; E231-K233 PolarHBondContact O-N 3.31Å; E231-L234 PolarHBondContact O-N 2.77Å; E231-K235 PolarHBondContact O-N 3.26Å; E231-K235 WeakPolarHBondContact OE1-CE 3.31Å; E231-K235 IonicContact OE1-NZ 3.94Å; E231-K235 PolarHBondContact OE1-NZ 2.89Å
232	N	93.9	Very high	93.6	Very high	9 Å²	9	76.1 Å²	76.1	5%	0.048	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-36.5	179.5	-77.6	17.5	0	0	0	111.9	E173 A177 K228 Y229 K235 C236	E173-N232 PolarHBondContact O-ND2 2.67Å; A177-N232 HydrophobicContact CB-CB 4.35Å; K228-N232 WeakPolarHBondContact O-CB 3.42Å; K228-N232 PolarHBondContact O-N 3.36Å; Y229-N232 PolarHBondContact O-N 3.02Å; N232-K235 PolarHBondContact O-N 2.98Å; N232-C236 VanDerWaalsContact O-CB 3.3Å; N232-C236 WeakPolarHBondContact O-CB 3.5Å; N232-C236 PolarHBondContact O-N 3.31Å
233	K	94.5	Very high	94.2	Very high	99 Å²	99	75.5 Å²	75.5	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-38.8	175.2	-170.7	174.7	-165.6	163.7	0	111.7	Y229 E231 T237	Y229-K233 HydrophobicContact CE1-CD 4Å; Y229-K233 HydrophobicContact CE2-CB 4.43Å; Y229-K233 HydrophobicContact CE2-CD 4.21Å; Y229-K233 WeakPolarHBondContact O-CB 3.22Å; Y229-K233 PolarHBondContact O-N 3.36Å; Y229-K233 PolarHBondContact OH-NZ 2.97Å; E231-K233 VanDerWaalsContact C-N 3.32Å; E231-K233 PolarHBondContact O-N 3.31Å; K233-T237 WeakPolarHBondContact O-CB 3.32Å; K233-T237 PolarHBondContact O-N 2.84Å; K233-T237 PolarHBondContact O-OG1 3.21Å
234	L	95.1	Very high	94.6	Very high	100 Å²	100	73.6 Å²	73.6	52%	0.524	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-43.6	173.3	-178.4	59.4	0	0	0	111.6	S230 E231 T237 K238	S230-L234 WeakPolarHBondContact O-CB 3.42Å; S230-L234 PolarHBondContact O-N 3.4Å; E231-L234 PolarHBondContact O-N 2.77Å; L234-T237 PolarHBondContact O-N 3.28Å; L234-K238 WeakPolarHBondContact O-CG 3.48Å; L234-K238 PolarHBondContact O-N 3.13Å
235	K	95.8	Very high	95	Very high	80 Å²	80	71.3 Å²	71.3	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-48.3	173.8	-74.5	169.9	168.9	172.5	0	111.9	Y170 E231 N232 T237 K238 A239	Y170-K235 HydrophobicContact CD1-CB 4.14Å; Y170-K235 HydrophobicContact CE1-CD 4.36Å; Y170-K235 HydrophobicContact CG-CB 4.25Å; E231-K235 PolarHBondContact O-N 3.26Å; E231-K235 WeakPolarHBondContact OE1-CE 3.31Å; E231-K235 IonicContact OE1-NZ 3.94Å; E231-K235 PolarHBondContact OE1-NZ 2.89Å; N232-K235 PolarHBondContact O-N 2.98Å; K235-T237 VanDerWaalsContact C-N 3.31Å; K235-T237 PolarHBondContact O-N 3.45Å; K235-K238 PolarHBondContact O-N 3.25Å; K235-A239 PolarHBondContact O-N 3.16Å
236	C	96	Very high	95.3	Very high	12 Å²	12	70.3 Å²	70.3	8%	0.081	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-39.2	174.2	178.8	0	0	0	0	112.2	H171 N232 R240	H171-C236 VanDerWaalsContact CA-SG 3.58Å; N232-C236 VanDerWaalsContact O-CB 3.3Å; N232-C236 WeakPolarHBondContact O-CB 3.5Å; N232-C236 PolarHBondContact O-N 3.31Å; C236-R240 WeakPolarHBondContact O-CB 3.32Å; C236-R240 PolarHBondContact O-N 3.07Å
237	T	95.6	Very high	95.6	Very high	52 Å²	52	69.3 Å²	69.3	32%	0.319	35%	0.349	S	S	.	.	H	α-helix	trans	-68	-41.9	179.2	-58.7	0	0	0	0	111.3	K233 L234 K235 N241	K233-T237 WeakPolarHBondContact O-CB 3.32Å; K233-T237 PolarHBondContact O-N 2.84Å; K233-T237 PolarHBondContact O-OG1 3.21Å; L234-T237 PolarHBondContact O-N 3.28Å; K235-T237 VanDerWaalsContact C-N 3.31Å; K235-T237 PolarHBondContact O-N 3.45Å; T237-N241 PolarHBondContact O-N 2.87Å; T237-N241 PolarHBondContact O-OD1 3.23Å; T237-N241 VanDerWaalsContact O-OD1 3.11Å
238	K	96.8	Very high	95.9	Very high	127 Å²	127	69.2 Å²	69.2	55%	0.552	35%	0.348	S	S	*	.	H	α-helix	trans	-60.7	-58.7	173.8	-71.5	-177.1	175.8	-168.7	0	111	L234 K235 R240 N241 D242	L234-K238 WeakPolarHBondContact O-CG 3.48Å; L234-K238 PolarHBondContact O-N 3.13Å; K235-K238 PolarHBondContact O-N 3.25Å; K238-R240 PolarHBondContact O-N 3.32Å; K238-R240 VanDerWaalsContact O-N 3.13Å; K238-N241 WeakPolarHBondContact O-CA 3.46Å; K238-N241 WeakPolarHBondContact O-CB 3.41Å; K238-N241 PolarHBondContact O-N 2.85Å; K238-D242 VanDerWaalsContact C-OD2 3.28Å; K238-D242 PolarHBondContact O-N 3.42Å; K238-D242 VanDerWaalsContact O-OD2 3.07Å
239	A	96.7	Very high	96.1	Very high	5 Å²	5	66 Å²	66	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-31.6	-178.4	0	0	0	0	0	113.5	T166 Y170 K235 Y243	T166-A239 HydrophobicContact CG2-CB 4.47Å; Y170-A239 HydrophobicContact CD2-CB 3.77Å; Y170-A239 HydrophobicContact CE2-CB 4.47Å; K235-A239 PolarHBondContact O-N 3.16Å; A239-Y243 VanDerWaalsContact O-CB 3.29Å; A239-Y243 WeakPolarHBondContact O-CB 3.37Å; A239-Y243 PolarHBondContact O-N 3.26Å
240	R	97.4	Very high	96.4	Very high	110 Å²	110	65 Å²	65	42%	0.415	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-41.9	171.9	-171.4	-169.2	64.4	174.3	-0.3	112.3	Y167 C236 K238 Y243 L244	Y167-R240 HydrophobicContact CD2-CB 3.58Å; Y167-R240 HydrophobicContact CD2-CG 4.08Å; Y167-R240 HydrophobicContact CE2-CB 3.57Å; Y167-R240 HydrophobicContact CE2-CG 3.68Å; Y167-R240 HydrophobicContact CG-CB 4.42Å; C236-R240 WeakPolarHBondContact O-CB 3.32Å; C236-R240 PolarHBondContact O-N 3.07Å; K238-R240 PolarHBondContact O-N 3.32Å; K238-R240 VanDerWaalsContact O-N 3.13Å; R240-Y243 PolarHBondContact O-N 3.1Å; R240-L244 HydrophobicContact CG-CD1 4.37Å; R240-L244 VanDerWaalsContact O-CG 3.29Å; R240-L244 WeakPolarHBondContact O-CG 3.34Å; R240-L244 PolarHBondContact O-N 3.22Å
241	N	97.3	Very high	96.6	Very high	73 Å²	73	66 Å²	66	39%	0.39	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-42.7	176.8	-66.8	3.8	0	0	0	110.3	T237 K238 Y243 L244 L245	T237-N241 PolarHBondContact O-N 2.87Å; T237-N241 PolarHBondContact O-OD1 3.23Å; T237-N241 VanDerWaalsContact O-OD1 3.11Å; K238-N241 WeakPolarHBondContact O-CA 3.46Å; K238-N241 WeakPolarHBondContact O-CB 3.41Å; K238-N241 PolarHBondContact O-N 2.85Å; N241-Y243 VanDerWaalsContact C-N 3.33Å; N241-Y243 PolarHBondContact O-N 3.16Å; N241-L244 PolarHBondContact O-N 3.26Å; N241-L245 WeakPolarHBondContact O-CG 3.37Å; N241-L245 PolarHBondContact O-N 2.93Å
242	D	97.3	Very high	96.8	Very high	77 Å²	77	64.4 Å²	64.4	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-43.7	174.7	-54.1	-35.4	0	0	0	110.7	V163 K238 L245 N246	V163-D242 HydrophobicContact CG1-CB 3.98Å; K238-D242 VanDerWaalsContact C-OD2 3.28Å; K238-D242 PolarHBondContact O-N 3.42Å; K238-D242 VanDerWaalsContact O-OD2 3.07Å; D242-L245 PolarHBondContact O-N 2.77Å; D242-N246 PolarHBondContact O-N 2.9Å; D242-N246 PolarHBondContact O-ND2 3.32Å
243	Y	97.6	Very high	97	Very high	42 Å²	42	65.4 Å²	65.4	17%	0.165	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-44.7	174	172.2	-120.8	0	0	0	112.4	L160 M164 Y167 A239 R240 N241 L245 N246 L247	L160-Y243 HydrophobicContact CD1-CD2 3.74Å; L160-Y243 HydrophobicContact CD1-CE2 3.58Å; L160-Y243 HydrophobicContact CG-CE2 4.39Å; M164-Y243 HydrophobicContact CB-CD2 3.78Å; M164-Y243 HydrophobicContact CB-CE2 3.57Å; M164-Y243 HydrophobicContact CG-CD2 4.35Å; M164-Y243 HydrophobicContact CG-CE2 3.81Å; M164-Y243 HydrophobicContact SD-CE2 4.28Å; Y167-Y243 AromaticContact CD1-CD1 3.98Å; Y167-Y243 HydrophobicContact CD1-CD1 3.98Å; Y167-Y243 HydrophobicContact CD1-CE1 4.48Å; Y167-Y243 HydrophobicContact CD1-CG 4.47Å; Y167-Y243 HydrophobicContact CE1-CD1 4.46Å; A239-Y243 VanDerWaalsContact O-CB 3.29Å; A239-Y243 WeakPolarHBondContact O-CB 3.37Å; A239-Y243 PolarHBondContact O-N 3.26Å; R240-Y243 PolarHBondContact O-N 3.1Å; N241-Y243 VanDerWaalsContact C-N 3.33Å; N241-Y243 PolarHBondContact O-N 3.16Å; Y243-L245 VanDerWaalsContact C-N 3.35Å; Y243-L245 PolarHBondContact O-N 3.1Å; Y243-N246 PolarHBondContact O-N 3.15Å; Y243-L247 WeakPolarHBondContact O-CB 3.4Å; Y243-L247 PolarHBondContact O-N 3.45Å
244	L	97.8	Very high	97.1	Very high	90 Å²	90	62.4 Å²	62.4	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-65.5	-36	178.2	-71.4	168.5	0	0	0	112.6	R240 N241 A248	R240-L244 HydrophobicContact CG-CD1 4.37Å; R240-L244 VanDerWaalsContact O-CG 3.29Å; R240-L244 WeakPolarHBondContact O-CG 3.34Å; R240-L244 PolarHBondContact O-N 3.22Å; N241-L244 PolarHBondContact O-N 3.26Å; L244-A248 WeakPolarHBondContact O-CB 3.42Å; L244-A248 PolarHBondContact O-N 3.12Å
245	L	97.5	Very high	97.2	Very high	121 Å²	121	60.6 Å²	60.6	63%	0.634	34%	0.338	S	S	*	.	H	α-helix	trans	-67.7	-46.1	174.5	-70.1	170.4	0	0	0	111.6	N241 D242 Y243 L247 A248 A249	N241-L245 WeakPolarHBondContact O-CG 3.37Å; N241-L245 PolarHBondContact O-N 2.93Å; D242-L245 PolarHBondContact O-N 2.77Å; Y243-L245 VanDerWaalsContact C-N 3.35Å; Y243-L245 PolarHBondContact O-N 3.1Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L245-L247 PolarHBondContact O-N 2.77Å; L245-A248 PolarHBondContact O-N 2.61Å; L245-A249 PolarHBondContact O-N 3.14Å
246	N	97.8	Very high	97.3	Very high	46 Å²	46	62.1 Å²	62.1	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-65.8	-36.1	176.6	-78.3	-93.1	0	0	0	111.8	L160 D242 Y243 A249 T250	L160-N246 HydrophobicContact CD1-CB 4.07Å; D242-N246 PolarHBondContact O-N 2.9Å; D242-N246 PolarHBondContact O-ND2 3.32Å; Y243-N246 PolarHBondContact O-N 3.15Å; N246-A249 PolarHBondContact O-N 3.09Å; N246-T250 WeakPolarHBondContact O-CB 3.47Å; N246-T250 PolarHBondContact O-N 2.87Å; N246-T250 PolarHBondContact O-OG1 3.38Å
247	L	97.5	Very high	97.4	Very high	49 Å²	49	61.8 Å²	61.8	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-43.2	174.6	-179.8	62.5	0	0	0	111.3	L160 Y243 L245 T250 N251	L160-L247 HydrophobicContact CD1-CB 4Å; L160-L247 HydrophobicContact CD1-CD1 4.45Å; L160-L247 HydrophobicContact CD2-CD1 3.91Å; Y243-L247 WeakPolarHBondContact O-CB 3.4Å; Y243-L247 PolarHBondContact O-N 3.45Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L245-L247 PolarHBondContact O-N 2.77Å; L247-T250 PolarHBondContact O-N 3.04Å; L247-N251 WeakPolarHBondContact O-CB 3.24Å; L247-N251 PolarHBondContact O-N 2.92Å; L247-N251 PolarHBondContact O-ND2 3.33Å
248	A	97.7	Very high	97.4	Very high	59 Å²	59	62.8 Å²	62.8	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-44.2	174.7	0	0	0	0	0	112	L244 L245 A252	L244-A248 WeakPolarHBondContact O-CB 3.42Å; L244-A248 PolarHBondContact O-N 3.12Å; L245-A248 PolarHBondContact O-N 2.61Å; A248-A252 WeakPolarHBondContact O-CB 3.16Å; A248-A252 PolarHBondContact O-N 3.43Å
249	A	97.3	Very high	97.4	Very high	55 Å²	55	61.9 Å²	61.9	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-43.3	176.4	0	0	0	0	0	112.5	L245 N246 A252 A253	L245-A249 PolarHBondContact O-N 3.14Å; N246-A249 PolarHBondContact O-N 3.09Å; A249-A252 PolarHBondContact O-N 2.84Å; A249-A253 WeakPolarHBondContact O-CB 3.42Å; A249-A253 PolarHBondContact O-N 2.9Å
250	T	97.8	Very high	97.4	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-46.2	177.9	-53.7	0	0	0	0	111.4	V156 T157 L160 N246 L247 A252 A253 I254	V156-T250 HydrophobicContact CG1-CG2 4.18Å; T157-T250 HydrophobicContact CG2-CG2 3.73Å; L160-T250 HydrophobicContact CD2-CG2 3.8Å; N246-T250 WeakPolarHBondContact O-CB 3.47Å; N246-T250 PolarHBondContact O-N 2.87Å; N246-T250 PolarHBondContact O-OG1 3.38Å; L247-T250 PolarHBondContact O-N 3.04Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 2.81Å; T250-A253 PolarHBondContact O-N 2.64Å; T250-I254 HydrophobicContact CG2-CD1 3.87Å; T250-I254 WeakPolarHBondContact O-CG1 3.46Å; T250-I254 PolarHBondContact O-N 2.95Å
251	N	97.6	Very high	97.4	Very high	83 Å²	83	62.8 Å²	62.8	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-40.7	177	-69.6	-17.3	0	0	0	111.3	L247 I254 S255	L247-N251 WeakPolarHBondContact O-CB 3.24Å; L247-N251 PolarHBondContact O-N 2.92Å; L247-N251 PolarHBondContact O-ND2 3.33Å; N251-I254 PolarHBondContact O-N 3.37Å; N251-S255 WeakPolarHBondContact O-CB 3.27Å; N251-S255 PolarHBondContact O-N 2.99Å; N251-S255 PolarHBondContact O-OG 3.12Å
252	A	97.8	Very high	97.4	Very high	61 Å²	61	60.9 Å²	60.9	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-40.3	175.4	0	0	0	0	0	112.6	A248 A249 T250 K256	A248-A252 WeakPolarHBondContact O-CB 3.16Å; A248-A252 PolarHBondContact O-N 3.43Å; A249-A252 PolarHBondContact O-N 2.84Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 2.81Å; A252-K256 VanDerWaalsContact O-CB 3.31Å; A252-K256 WeakPolarHBondContact O-CB 3.48Å; A252-K256 PolarHBondContact O-N 3.5Å
253	A	97.4	Very high	97.3	Very high	30 Å²	30	60.2 Å²	60.2	25%	0.248	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-45.1	175.6	0	0	0	0	0	112.1	L153 V156 A249 T250 K256 Y257	L153-A253 HydrophobicContact CD1-CB 4.35Å; V156-A253 HydrophobicContact CG1-CB 4.44Å; A249-A253 WeakPolarHBondContact O-CB 3.42Å; A249-A253 PolarHBondContact O-N 2.9Å; T250-A253 PolarHBondContact O-N 2.64Å; A253-K256 PolarHBondContact O-N 2.78Å; A253-Y257 WeakPolarHBondContact O-CB 3.44Å; A253-Y257 PolarHBondContact O-N 3.35Å
254	I	97.1	Very high	97.3	Very high	36 Å²	36	62.6 Å²	62.6	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-48.1	174.5	-68.1	167.9	0	0	0	110.5	I24 L153 T157 T250 N251 K256 Y257 Y258	I24-I254 HydrophobicContact CD1-CD1 4.28Å; L153-I254 HydrophobicContact CD1-CB 4.48Å; L153-I254 HydrophobicContact CD1-CG1 3.77Å; T157-I254 HydrophobicContact CG2-CD1 4.35Å; T250-I254 HydrophobicContact CG2-CD1 3.87Å; T250-I254 WeakPolarHBondContact O-CG1 3.46Å; T250-I254 PolarHBondContact O-N 2.95Å; N251-I254 PolarHBondContact O-N 3.37Å; I254-K256 PolarHBondContact O-N 3.16Å; I254-Y257 PolarHBondContact O-N 3.1Å; I254-Y258 HydrophobicContact CG2-CD2 3.85Å; I254-Y258 HydrophobicContact CG2-CE2 4.08Å; I254-Y258 WeakPolarHBondContact O-CD2 3.32Å; I254-Y258 PolarHBondContact O-N 2.82Å
255	S	97.5	Very high	97.2	Very high	61 Å²	61	58.6 Å²	58.6	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-42.6	178.1	-68.1	0	0	0	0	112.4	N251 Y257 I259	N251-S255 WeakPolarHBondContact O-CB 3.27Å; N251-S255 PolarHBondContact O-N 2.99Å; N251-S255 PolarHBondContact O-OG 3.12Å; S255-Y257 VanDerWaalsContact C-N 3.34Å; S255-Y257 PolarHBondContact O-N 2.88Å; S255-I259 WeakPolarHBondContact O-CB 3.41Å; S255-I259 WeakPolarHBondContact O-CD1 3.25Å; S255-I259 WeakPolarHBondContact O-CG1 3.38Å; S255-I259 PolarHBondContact O-N 2.98Å
256	K	97.4	Very high	97.1	Very high	113 Å²	113	55.5 Å²	55.5	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-45.4	174.4	-175.6	-172.5	176.7	-62.2	0	111.1	A252 A253 I254 H260 D261	A252-K256 VanDerWaalsContact O-CB 3.31Å; A252-K256 WeakPolarHBondContact O-CB 3.48Å; A252-K256 PolarHBondContact O-N 3.5Å; A253-K256 PolarHBondContact O-N 2.78Å; I254-K256 PolarHBondContact O-N 3.16Å; K256-H260 PolarHBondContact O-N 3.38Å; K256-H260 VanDerWaalsContact O-N 3.09Å; K256-D261 IonicContact NZ-OD1 2.75Å; K256-D261 PolarHBondContact NZ-OD1 3.33Å; K256-D261 IonicContact NZ-OD2 3.89Å; K256-D261 PolarHBondContact NZ-OD2 3.09Å; K256-D261 PolarHBondContact O-N 3.29Å; K256-D261 VanDerWaalsContact O-N 3.14Å
257	Y	97.8	Very high	96.9	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.02	33%	0.334	C	S	.	.	I	π-helix	trans	-58.2	-56.7	179.5	178.8	-100.3	0	0	0	111.9	L28 Q31 M149 H150 L153 A253 I254 S255 I259 D261 V262	L28-Y257 HydrophobicContact CD2-CD1 4.28Å; L28-Y257 HydrophobicContact CD2-CE1 3.41Å; L28-Y257 VanDerWaalsContact CD2-CE1 3.41Å; Q31-Y257 PolarHBondContact OE1-OH 2.94Å; M149-Y257 HydrophobicContact CB-CD2 4.5Å; M149-Y257 HydrophobicContact CB-CE2 4.36Å; H150-Y257 AromaticContact CD2-CE2 3.9Å; H150-Y257 AromaticContact CD2-CZ 3.86Å; H150-Y257 PolarHBondContact CD2-OH 3.4Å; H150-Y257 AromaticContact NE2-CE2 3.65Å; H150-Y257 AromaticContact NE2-CZ 3.12Å; H150-Y257 PolarHBondContact NE2-OH 2.92Å; L153-Y257 HydrophobicContact CD2-CD1 3.8Å; L153-Y257 HydrophobicContact CD2-CE1 4.38Å; L153-Y257 HydrophobicContact CD2-CG 3.92Å; A253-Y257 WeakPolarHBondContact O-CB 3.44Å; A253-Y257 PolarHBondContact O-N 3.35Å; I254-Y257 PolarHBondContact O-N 3.1Å; S255-Y257 VanDerWaalsContact C-N 3.34Å; S255-Y257 PolarHBondContact O-N 2.88Å; Y257-I259 PolarHBondContact O-N 2.84Å; Y257-D261 HydrophobicContact CD2-CB 4.31Å; Y257-D261 PolarHBondContact O-N 3.48Å; Y257-V262 HydrophobicContact CD1-CG2 4.11Å; Y257-V262 HydrophobicContact CD2-CG2 4.33Å; Y257-V262 HydrophobicContact CE1-CG2 3.54Å; Y257-V262 HydrophobicContact CE2-CG2 3.79Å; Y257-V262 HydrophobicContact CG-CG2 4.46Å; Y257-V262 WeakPolarHBondContact O-CG2 3.2Å; Y257-V262 PolarHBondContact O-N 3.45Å; Y257-V262 VanDerWaalsContact O-N 3.09Å; Y257-V262 WeakPolarHBondContact OH-CG2 3.25Å
258	Y	96.9	Very high	96.7	Very high	73 Å²	73	58.6 Å²	58.6	29%	0.286	34%	0.34	S	S	.	.	I	π-helix	trans	-76.3	-18.9	-173.8	-78.8	-89.5	0	0	0	115.1	Q27 I254	Q27-Y258 PolarHBondContact OE1-OH 3.26Å; I254-Y258 HydrophobicContact CG2-CD2 3.85Å; I254-Y258 HydrophobicContact CG2-CE2 4.08Å; I254-Y258 WeakPolarHBondContact O-CD2 3.32Å; I254-Y258 PolarHBondContact O-N 2.82Å
259	I	96.6	Very high	96.5	Very high	108 Å²	108	56.4 Å²	56.4	55%	0.554	32%	0.321	S	S	*	.	I	π-helix	trans	-102.1	-31.9	-174.9	-59.2	171.5	0	0	0	112.7	S255 Y257	S255-I259 WeakPolarHBondContact O-CB 3.41Å; S255-I259 WeakPolarHBondContact O-CD1 3.25Å; S255-I259 WeakPolarHBondContact O-CG1 3.38Å; S255-I259 PolarHBondContact O-N 2.98Å; Y257-I259 PolarHBondContact O-N 2.84Å
260	H	97.1	Very high	96.2	Very high	109 Å²	109	55.3 Å²	55.3	51%	0.505	31%	0.307	S	S	.	.	I	π-helix	trans	-122.1	-58.3	-175.3	-58.7	-57.8	0	0	0	111.3	K256 V262 S263 D264	K256-H260 PolarHBondContact O-N 3.38Å; K256-H260 VanDerWaalsContact O-N 3.09Å; H260-V262 VanDerWaalsContact C-N 3.32Å; H260-V262 PolarHBondContact O-N 2.96Å; H260-S263 WeakPolarHBondContact O-CA 3.41Å; H260-S263 VanDerWaalsContact O-CB 3.29Å; H260-S263 WeakPolarHBondContact O-CB 3.42Å; H260-S263 PolarHBondContact O-N 2.82Å; H260-D264 PolarHBondContact O-N 2.79Å
261	D	97.1	Very high	96	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.134	34%	0.336	C	S	.	.	I	π-helix	trans	-63.5	-34	-166.2	-64.5	-1.8	0	0	0	113.7	M149 K256 Y257 L265	M149-D261 HydrophobicContact CE-CB 3.54Å; K256-D261 IonicContact NZ-OD1 2.75Å; K256-D261 PolarHBondContact NZ-OD1 3.33Å; K256-D261 IonicContact NZ-OD2 3.89Å; K256-D261 PolarHBondContact NZ-OD2 3.09Å; K256-D261 PolarHBondContact O-N 3.29Å; K256-D261 VanDerWaalsContact O-N 3.14Å; Y257-D261 HydrophobicContact CD2-CB 4.31Å; Y257-D261 PolarHBondContact O-N 3.48Å; D261-L265 VanDerWaalsContact O-CB 3.23Å; D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 PolarHBondContact O-N 3.17Å
262	V	96.1	Very high	95.9	Very high	33 Å²	33	58.5 Å²	58.5	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-33.6	172.8	169.7	0	0	0	0	112	Y257 H260 I266	Y257-V262 HydrophobicContact CD1-CG2 4.11Å; Y257-V262 HydrophobicContact CD2-CG2 4.33Å; Y257-V262 HydrophobicContact CE1-CG2 3.54Å; Y257-V262 HydrophobicContact CE2-CG2 3.79Å; Y257-V262 HydrophobicContact CG-CG2 4.46Å; Y257-V262 WeakPolarHBondContact O-CG2 3.2Å; Y257-V262 PolarHBondContact O-N 3.45Å; Y257-V262 VanDerWaalsContact O-N 3.09Å; Y257-V262 WeakPolarHBondContact OH-CG2 3.25Å; H260-V262 VanDerWaalsContact C-N 3.32Å; H260-V262 PolarHBondContact O-N 2.96Å; V262-I266 HydrophobicContact CG1-CD1 4.3Å; V262-I266 WeakPolarHBondContact O-CD1 3.46Å; V262-I266 WeakPolarHBondContact O-CG1 3.23Å; V262-I266 PolarHBondContact O-N 3.02Å
263	S	96.6	Very high	95.8	Very high	63 Å²	63	56.3 Å²	56.3	44%	0.441	31%	0.312	S	S	.	.	H	α-helix	trans	-70.8	-49	175.9	-163.5	0	0	0	0	110.6	H260 L265 I266 D267	H260-S263 WeakPolarHBondContact O-CA 3.41Å; H260-S263 VanDerWaalsContact O-CB 3.29Å; H260-S263 WeakPolarHBondContact O-CB 3.42Å; H260-S263 PolarHBondContact O-N 2.82Å; S263-L265 PolarHBondContact O-N 3.19Å; S263-I266 WeakPolarHBondContact O-CB 3.01Å; S263-I266 PolarHBondContact O-N 3.07Å; S263-D267 PolarHBondContact O-N 3.12Å
264	D	96.7	Very high	95.8	Very high	91 Å²	91	60.2 Å²	60.2	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-58.8	-33.8	177.4	-62.8	-12.5	0	0	0	111.3	H260 C268	H260-D264 PolarHBondContact O-N 2.79Å; D264-C268 PolarHBondContact O-N 3.14Å; D264-C268 PolarHBondContact O-SG 3.39Å
265	L	96	Very high	95.9	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-69.6	-36.7	175.3	-177.2	63	0	0	0	113.1	L35 S142 D261 S263 C268 C269	L35-L265 HydrophobicContact CD1-CD2 4.19Å; S142-L265 WeakPolarHBondContact O-CD1 3.37Å; D261-L265 VanDerWaalsContact O-CB 3.23Å; D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 PolarHBondContact O-N 3.17Å; S263-L265 PolarHBondContact O-N 3.19Å; L265-C268 WeakPolarHBondContact O-CB 3.21Å; L265-C268 PolarHBondContact O-N 3.21Å; L265-C269 PolarHBondContact O-N 2.93Å; L265-C269 VanDerWaalsContact O-N 3.12Å; L265-C269 PolarHBondContact O-SG 3.38Å
266	I	95.1	Very high	95.9	Very high	57 Å²	57	59.3 Å²	59.3	29%	0.292	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-45.7	173.3	-69.1	160.2	0	0	0	109.8	L35 V262 S263 C268 C269 D270	L35-I266 HydrophobicContact CD2-CG1 3.81Å; V262-I266 HydrophobicContact CG1-CD1 4.3Å; V262-I266 WeakPolarHBondContact O-CD1 3.46Å; V262-I266 WeakPolarHBondContact O-CG1 3.23Å; V262-I266 PolarHBondContact O-N 3.02Å; S263-I266 WeakPolarHBondContact O-CB 3.01Å; S263-I266 PolarHBondContact O-N 3.07Å; I266-C268 PolarHBondContact O-N 2.88Å; I266-C269 WeakPolarHBondContact O-CB 3.37Å; I266-C269 PolarHBondContact O-N 3.47Å; I266-D270 WeakPolarHBondContact O-CB 3.48Å; I266-D270 PolarHBondContact O-N 3.17Å
267	D	94.5	Very high	95.9	Very high	101 Å²	101	55 Å²	55	54%	0.54	31%	0.307	S	S	.	.	H	α-helix	trans	-60.5	-30.2	176	-73.3	-25.4	0	0	0	112.4	S263 L271	S263-D267 PolarHBondContact O-N 3.12Å; D267-L271 PolarHBondContact O-N 2.95Å
268	C	93.3	Very high	95.9	Very high	59 Å²	59	56.4 Å²	56.4	40%	0.399	32%	0.321	S	S	.	.	H	α-helix	trans	-71.1	-37.4	171.9	-69.9	0	0	0	0	113.6	D264 L265 I266 D270	D264-C268 PolarHBondContact O-N 3.14Å; D264-C268 PolarHBondContact O-SG 3.39Å; L265-C268 WeakPolarHBondContact O-CB 3.21Å; L265-C268 PolarHBondContact O-N 3.21Å; I266-C268 PolarHBondContact O-N 2.88Å; C268-D270 VanDerWaalsContact C-N 3.31Å
269	C	92.5	Very high	96	Very high	12 Å²	12	59.6 Å²	59.6	8%	0.081	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-33.6	172.3	-72.1	0	0	0	0	112.3	S142 L265 I266	S142-C269 WeakPolarHBondContact CB-SG 3.32Å; L265-C269 PolarHBondContact O-N 2.93Å; L265-C269 VanDerWaalsContact O-N 3.12Å; L265-C269 PolarHBondContact O-SG 3.38Å; I266-C269 WeakPolarHBondContact O-CB 3.37Å; I266-C269 PolarHBondContact O-N 3.47Å
270	D	90.6	Very high	96.1	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.171	31%	0.307	C	S	.	.	S	Bend	trans	-90.8	-4.5	-172.9	-73.6	25.8	0	0	0	113.3	R42 I266 C268 G272 F273	R42-D270 IonicContact CZ-OD1 2.62Å; R42-D270 IonicContact CZ-OD2 2.61Å; R42-D270 IonicContact NH1-OD1 2.72Å; R42-D270 PolarHBondContact NH1-OD1 3.13Å; R42-D270 IonicContact NH1-OD2 2.94Å; R42-D270 IonicContact NH2-OD1 2.71Å; R42-D270 PolarHBondContact NH2-OD1 3.48Å; R42-D270 IonicContact NH2-OD2 2.68Å; R42-D270 PolarHBondContact NH2-OD2 3.39Å; I266-D270 WeakPolarHBondContact O-CB 3.48Å; I266-D270 PolarHBondContact O-N 3.17Å; C268-D270 VanDerWaalsContact C-N 3.31Å; D270-G272 PolarHBondContact O-N 3.04Å; D270-F273 WeakPolarHBondContact O-CB 3.39Å; D270-F273 PolarHBondContact O-N 3.31Å
271	L	94.4	Very high	96.2	Very high	116 Å²	116	53.1 Å²	53.1	61%	0.607	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	102.7	-167.6	-176	62.6	0	0	0	113.3	L138 D267 F273	L138-L271 HydrophobicContact CD1-CB 4.36Å; L138-L271 WeakPolarHBondContact CD1-O 3.33Å; L138-L271 HydrophobicContact CD2-CD2 4.45Å; D267-L271 PolarHBondContact O-N 2.95Å; L271-F273 VanDerWaalsContact C-N 3.3Å; L271-F273 PolarHBondContact O-N 3.32Å
272	G	94.5	Very high	96.2	Very high	38 Å²	38	59.7 Å²	59.7	39%	0.392	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-5.8	176.7	0	0	0	0	0	115.6	D270 A275 S276	D270-G272 PolarHBondContact O-N 3.04Å; G272-A275 PolarHBondContact O-N 3.41Å; G272-S276 WeakPolarHBondContact O-CB 3.2Å; G272-S276 PolarHBondContact O-N 2.79Å; G272-S276 PolarHBondContact O-OG 3.17Å; G272-S276 VanDerWaalsContact O-OG 3.07Å
273	F	97.4	Very high	96.4	Very high	14 Å²	14	59.7 Å²	59.7	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-55.1	-59.1	-180	169.3	-107.6	0	0	0	111.6	R42 L46 I131 V135 D270 L271 A275 S276 L277	R42-F273 HydrophobicContact CB-CE2 4.39Å; R42-F273 HydrophobicContact CB-CZ 4.29Å; R42-F273 HydrophobicContact CG-CE1 4.18Å; R42-F273 HydrophobicContact CG-CE2 4.44Å; R42-F273 HydrophobicContact CG-CZ 3.95Å; L46-F273 HydrophobicContact CD1-CE2 4.09Å; L46-F273 HydrophobicContact CD2-CE2 4.3Å; L46-F273 HydrophobicContact CG-CE2 4.32Å; I131-F273 HydrophobicContact CG2-CD2 3.81Å; I131-F273 HydrophobicContact CG2-CE2 4.15Å; V135-F273 HydrophobicContact CG2-CD2 3.73Å; V135-F273 HydrophobicContact CG2-CE2 4.3Å; D270-F273 WeakPolarHBondContact O-CB 3.39Å; D270-F273 PolarHBondContact O-N 3.31Å; L271-F273 VanDerWaalsContact C-N 3.3Å; L271-F273 PolarHBondContact O-N 3.32Å; F273-A275 VanDerWaalsContact C-N 3.3Å; F273-A275 PolarHBondContact O-N 3.42Å; F273-S276 PolarHBondContact O-N 3.32Å; F273-S276 VanDerWaalsContact O-N 3.17Å; F273-L277 HydrophobicContact CE1-CD2 4.38Å; F273-L277 HydrophobicContact CZ-CD2 3.97Å; F273-L277 WeakPolarHBondContact O-CB 3.31Å; F273-L277 PolarHBondContact O-N 2.95Å
274	H	97	Very high	96.4	Very high	113 Å²	113	59.4 Å²	59.4	52%	0.523	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-37.5	-179.8	-67	-78.9	0	0	0	112.7	A278	H274-A278 WeakPolarHBondContact O-CB 3.47Å; H274-A278 PolarHBondContact O-N 3.3Å
275	A	97.8	Very high	96.5	Very high	61 Å²	61	60.2 Å²	60.2	50%	0.504	32%	0.315	S	S	.	.	H	α-helix	trans	-70.5	-30.4	178.9	0	0	0	0	0	113	G272 F273 R279	G272-A275 PolarHBondContact O-N 3.41Å; F273-A275 VanDerWaalsContact C-N 3.3Å; F273-A275 PolarHBondContact O-N 3.42Å; A275-R279 VanDerWaalsContact O-CG 3.24Å; A275-R279 WeakPolarHBondContact O-CG 3.48Å; A275-R279 PolarHBondContact O-N 3.3Å; A275-R279 PolarHBondContact O-NE 3.17Å; A275-R279 VanDerWaalsContact O-NE 3.1Å
276	S	97.9	Very high	96.6	Very high	17 Å²	17	63.1 Å²	63.1	12%	0.119	34%	0.336	C	S	.	.	H	α-helix	trans	-81.3	-41.6	176.2	-61.8	0	0	0	0	112	G272 F273 R279 T280	G272-S276 WeakPolarHBondContact O-CB 3.2Å; G272-S276 PolarHBondContact O-N 2.79Å; G272-S276 PolarHBondContact O-OG 3.17Å; G272-S276 VanDerWaalsContact O-OG 3.07Å; F273-S276 PolarHBondContact O-N 3.32Å; F273-S276 VanDerWaalsContact O-N 3.17Å; S276-R279 PolarHBondContact O-N 2.99Å; S276-R279 PolarHBondContact OG-NH2 2.91Å; S276-T280 PolarHBondContact O-N 3.35Å; S276-T280 PolarHBondContact O-OG1 3.5Å
277	L	98.3	Very high	96.8	Very high	21 Å²	21	60.9 Å²	60.9	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-45	174.3	-174.1	60.4	0	0	0	111.3	L46 L49 L128 F273 R279 T280 F281	L46-L277 HydrophobicContact CD2-CD1 4.39Å; L49-L277 HydrophobicContact CD1-CD1 3.99Å; L128-L277 HydrophobicContact CD2-CD1 3.85Å; F273-L277 HydrophobicContact CE1-CD2 4.38Å; F273-L277 HydrophobicContact CZ-CD2 3.97Å; F273-L277 WeakPolarHBondContact O-CB 3.31Å; F273-L277 PolarHBondContact O-N 2.95Å; L277-R279 VanDerWaalsContact C-N 3.28Å; L277-R279 PolarHBondContact O-N 3.42Å; L277-T280 WeakPolarHBondContact O-CB 3.42Å; L277-T280 PolarHBondContact O-N 2.75Å; L277-T280 VanDerWaalsContact O-N 3.08Å; L277-F281 HydrophobicContact CD1-CD2 4.09Å; L277-F281 HydrophobicContact CD1-CE2 3.62Å; L277-F281 HydrophobicContact CD1-CZ 4.41Å; L277-F281 HydrophobicContact CD2-CE2 4.27Å; L277-F281 HydrophobicContact CG-CD2 3.99Å; L277-F281 HydrophobicContact CG-CE2 3.73Å; L277-F281 WeakPolarHBondContact O-CD2 3.28Å; L277-F281 PolarHBondContact O-N 3.19Å
278	A	98.5	Very high	96.9	Very high	36 Å²	36	58.4 Å²	58.4	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-72.3	-15.9	177.6	0	0	0	0	0	114.1	H274 R282	H274-A278 WeakPolarHBondContact O-CB 3.47Å; H274-A278 PolarHBondContact O-N 3.3Å; A278-R282 VanDerWaalsContact O-CG 3.31Å; A278-R282 WeakPolarHBondContact O-CG 3.43Å; A278-R282 PolarHBondContact O-NH1 3.25Å
279	R	98.3	Very high	97.2	Very high	139 Å²	139	63.6 Å²	63.6	53%	0.525	32%	0.324	S	S	.	.	H	α-helix	trans	-76.4	-41.5	164.9	-79.5	179	-61.6	153.2	2.7	110.8	A275 S276 L277 R282 T283	A275-R279 VanDerWaalsContact O-CG 3.24Å; A275-R279 WeakPolarHBondContact O-CG 3.48Å; A275-R279 PolarHBondContact O-N 3.3Å; A275-R279 PolarHBondContact O-NE 3.17Å; A275-R279 VanDerWaalsContact O-NE 3.1Å; S276-R279 PolarHBondContact O-N 2.99Å; S276-R279 PolarHBondContact OG-NH2 2.91Å; L277-R279 VanDerWaalsContact C-N 3.28Å; L277-R279 PolarHBondContact O-N 3.42Å; R279-R282 WeakPolarHBondContact O-CB 3.33Å; R279-R282 PolarHBondContact O-N 2.78Å; R279-R282 VanDerWaalsContact O-N 3.1Å; R279-T283 PolarHBondContact O-N 3.47Å; R279-T283 PolarHBondContact O-OG1 2.69Å
280	T	98.4	Very high	97.4	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.025	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-46.1	179.3	-53.6	0	0	0	0	111.8	V124 R127 L128 S276 L277 R282 T283 Y284	V124-T280 HydrophobicContact CB-CG2 4.49Å; V124-T280 HydrophobicContact CG1-CG2 3.82Å; R127-T280 HydrophobicContact CB-CG2 4.07Å; R127-T280 WeakPolarHBondContact CB-OG1 3.43Å; L128-T280 HydrophobicContact CD2-CG2 4.09Å; L128-T280 HydrophobicContact CG-CG2 4.07Å; S276-T280 PolarHBondContact O-N 3.35Å; S276-T280 PolarHBondContact O-OG1 3.5Å; L277-T280 WeakPolarHBondContact O-CB 3.42Å; L277-T280 PolarHBondContact O-N 2.75Å; L277-T280 VanDerWaalsContact O-N 3.08Å; T280-R282 VanDerWaalsContact C-N 3.3Å; T280-R282 PolarHBondContact O-N 3.12Å; T280-T283 WeakPolarHBondContact O-CB 3.37Å; T280-T283 PolarHBondContact O-N 2.93Å; T280-T283 VanDerWaalsContact O-N 3.11Å; T280-Y284 PolarHBondContact O-N 3.48Å; T280-Y284 VanDerWaalsContact O-N 3.09Å
281	F	98.7	Very high	97.8	Very high	78 Å²	78	67.2 Å²	67.2	34%	0.342	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-28.6	172.4	-75.7	-62.5	0	0	0	113.9	L49 F53 L277 Y284 L285	L49-F281 HydrophobicContact CD1-CE2 4.44Å; L49-F281 HydrophobicContact CD1-CZ 3.99Å; L49-F281 HydrophobicContact CD2-CE1 4.26Å; L49-F281 HydrophobicContact CD2-CZ 3.82Å; F53-F281 HydrophobicContact CE2-CE1 4.29Å; F53-F281 HydrophobicContact CZ-CE1 4.47Å; L277-F281 HydrophobicContact CD1-CD2 4.09Å; L277-F281 HydrophobicContact CD1-CE2 3.62Å; L277-F281 HydrophobicContact CD1-CZ 4.41Å; L277-F281 HydrophobicContact CD2-CE2 4.27Å; L277-F281 HydrophobicContact CG-CD2 3.99Å; L277-F281 HydrophobicContact CG-CE2 3.73Å; L277-F281 WeakPolarHBondContact O-CD2 3.28Å; L277-F281 PolarHBondContact O-N 3.19Å; F281-Y284 WeakPolarHBondContact O-CB 3.5Å; F281-Y284 PolarHBondContact O-N 3.03Å; F281-L285 WeakPolarHBondContact O-CG 3.37Å; F281-L285 PolarHBondContact O-N 3.11Å
282	R	98.4	Very high	97.9	Very high	163 Å²	163	66.8 Å²	66.8	62%	0.615	34%	0.337	S	S	*	.	H	α-helix	trans	-71.6	-31.5	171	-77.4	178.9	-176.9	91.1	-6.5	112.6	A278 R279 T280 S286	A278-R282 VanDerWaalsContact O-CG 3.31Å; A278-R282 WeakPolarHBondContact O-CG 3.43Å; A278-R282 PolarHBondContact O-NH1 3.25Å; R279-R282 WeakPolarHBondContact O-CB 3.33Å; R279-R282 PolarHBondContact O-N 2.78Å; R279-R282 VanDerWaalsContact O-N 3.1Å; T280-R282 VanDerWaalsContact C-N 3.3Å; T280-R282 PolarHBondContact O-N 3.12Å; R282-S286 VanDerWaalsContact O-CB 3.22Å; R282-S286 WeakPolarHBondContact O-CB 3.36Å; R282-S286 PolarHBondContact O-N 2.87Å
283	T	98.4	Very high	98.1	Very high	33 Å²	33	67.3 Å²	67.3	20%	0.202	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-44.1	170.7	-56.4	0	0	0	0	110.9	I119 N123 V124 R279 T280 S286 A287	I119-T283 HydrophobicContact CG2-CG2 4.17Å; N123-T283 HydrophobicContact CB-CG2 4.44Å; V124-T283 HydrophobicContact CG2-CG2 4.41Å; R279-T283 PolarHBondContact O-N 3.47Å; R279-T283 PolarHBondContact O-OG1 2.69Å; T280-T283 WeakPolarHBondContact O-CB 3.37Å; T280-T283 PolarHBondContact O-N 2.93Å; T280-T283 VanDerWaalsContact O-N 3.11Å; T283-S286 PolarHBondContact O-N 3.18Å; T283-A287 PolarHBondContact O-N 3.31Å; T283-A287 VanDerWaalsContact O-N 3.12Å
284	Y	98.3	Very high	98.1	Very high	56 Å²	56	67.6 Å²	67.6	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-58.2	171.6	167.8	-104.1	0	0	0	112.1	F53 K56 F120 T280 F281 S286 A287 E288	F53-Y284 AromaticContact CE1-CD2 3.4Å; F53-Y284 HydrophobicContact CE1-CD2 3.4Å; F53-Y284 AromaticContact CE1-CE2 3.75Å; F53-Y284 HydrophobicContact CE1-CE2 3.75Å; F53-Y284 HydrophobicContact CE1-CG 4.04Å; F53-Y284 AromaticContact CZ-CD2 3.85Å; F53-Y284 HydrophobicContact CZ-CD2 3.85Å; F53-Y284 HydrophobicContact CZ-CE2 4.33Å; F53-Y284 HydrophobicContact CZ-CG 4.01Å; K56-Y284 HydrophobicContact CD-CE2 4.35Å; F120-Y284 AromaticContact CE1-CD2 3.63Å; F120-Y284 HydrophobicContact CE1-CD2 3.63Å; F120-Y284 HydrophobicContact CE1-CE2 4.13Å; F120-Y284 AromaticContact CZ-CD2 3.92Å; F120-Y284 HydrophobicContact CZ-CD2 3.92Å; F120-Y284 AromaticContact CZ-CE2 3.92Å; F120-Y284 HydrophobicContact CZ-CE2 3.92Å; T280-Y284 PolarHBondContact O-N 3.48Å; T280-Y284 VanDerWaalsContact O-N 3.09Å; F281-Y284 WeakPolarHBondContact O-CB 3.5Å; F281-Y284 PolarHBondContact O-N 3.03Å; Y284-S286 VanDerWaalsContact C-N 3.25Å; Y284-S286 PolarHBondContact O-N 3.08Å; Y284-A287 WeakPolarHBondContact O-CB 3.31Å; Y284-A287 PolarHBondContact O-N 3.14Å; Y284-E288 HydrophobicContact CD2-CG 4.12Å; Y284-E288 HydrophobicContact CE1-CG 4.19Å; Y284-E288 HydrophobicContact CE2-CG 3.7Å; Y284-E288 WeakPolarHBondContact CE2-OE1 3.47Å; Y284-E288 PolarHBondContact O-N 2.86Å; Y284-E288 VanDerWaalsContact O-N 3.1Å
285	L	98.6	Very high	98.2	Very high	108 Å²	108	66.1 Å²	66.1	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-59	-34.7	-178.9	-70	170.2	0	0	0	113	F281 Y289	F281-L285 WeakPolarHBondContact O-CG 3.37Å; F281-L285 PolarHBondContact O-N 3.11Å; L285-Y289 VanDerWaalsContact O-CB 3.31Å; L285-Y289 WeakPolarHBondContact O-CB 3.43Å; L285-Y289 PolarHBondContact O-N 3.44Å
286	S	98.6	Very high	98.2	Very high	67 Å²	67	69.2 Å²	69.2	47%	0.469	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-35.8	174.8	-173	0	0	0	0	112.1	R282 T283 Y284 N290	R282-S286 VanDerWaalsContact O-CB 3.22Å; R282-S286 WeakPolarHBondContact O-CB 3.36Å; R282-S286 PolarHBondContact O-N 2.87Å; T283-S286 PolarHBondContact O-N 3.18Å; Y284-S286 VanDerWaalsContact C-N 3.25Å; Y284-S286 PolarHBondContact O-N 3.08Å; S286-N290 PolarHBondContact O-N 3.05Å; S286-N290 VanDerWaalsContact O-N 3.11Å; S286-N290 PolarHBondContact O-ND2 2.7Å
287	A	98.2	Very high	98.2	Very high	10 Å²	10	73.9 Å²	73.9	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-70.5	-49	179.8	0	0	0	0	0	110.7	L116 I119 T283 Y284 Y289 N290 L291	L116-A287 HydrophobicContact CD1-CB 3.49Å; L116-A287 VanDerWaalsContact CD1-CB 3.49Å; I119-A287 HydrophobicContact CD1-CB 3.9Å; I119-A287 HydrophobicContact CG2-CB 4.01Å; T283-A287 PolarHBondContact O-N 3.31Å; T283-A287 VanDerWaalsContact O-N 3.12Å; Y284-A287 WeakPolarHBondContact O-CB 3.31Å; Y284-A287 PolarHBondContact O-N 3.14Å; A287-Y289 VanDerWaalsContact C-N 3.33Å; A287-Y289 PolarHBondContact O-N 3.29Å; A287-N290 PolarHBondContact O-N 2.72Å; A287-N290 VanDerWaalsContact O-N 3.12Å; A287-L291 PolarHBondContact O-N 3.36Å
288	E	97.6	Very high	98.1	Very high	49 Å²	49	73.2 Å²	73.2	23%	0.229	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-43.1	174.7	-59.4	-71.2	166.4	0	0	111.6	K56 F120 Y284 N290 L291 E292	K56-E288 IonicContact NZ-OE1 2.65Å; K56-E288 PolarHBondContact NZ-OE1 3.41Å; K56-E288 IonicContact NZ-OE2 2.76Å; F120-E288 WeakPolarHBondContact CZ-OE1 3.41Å; Y284-E288 HydrophobicContact CD2-CG 4.12Å; Y284-E288 HydrophobicContact CE1-CG 4.19Å; Y284-E288 HydrophobicContact CE2-CG 3.7Å; Y284-E288 WeakPolarHBondContact CE2-OE1 3.47Å; Y284-E288 PolarHBondContact O-N 2.86Å; Y284-E288 VanDerWaalsContact O-N 3.1Å; E288-N290 PolarHBondContact O-N 3.09Å; E288-L291 PolarHBondContact O-N 3.17Å; E288-E292 PolarHBondContact O-N 2.81Å
289	Y	98.3	Very high	98.1	Very high	169 Å²	169	75.3 Å²	75.3	66%	0.663	35%	0.354	S	S	*	.	H	α-helix	trans	-66.3	-33.4	177	-176.2	-102	0	0	0	113.5	L285 A287 T293	L285-Y289 VanDerWaalsContact O-CB 3.31Å; L285-Y289 WeakPolarHBondContact O-CB 3.43Å; L285-Y289 PolarHBondContact O-N 3.44Å; A287-Y289 VanDerWaalsContact C-N 3.33Å; A287-Y289 PolarHBondContact O-N 3.29Å; Y289-T293 VanDerWaalsContact O-CB 3.32Å; Y289-T293 WeakPolarHBondContact O-CB 3.32Å; Y289-T293 PolarHBondContact O-N 2.73Å; Y289-T293 PolarHBondContact O-OG1 3.37Å
290	N	98	Very high	98.1	Very high	97 Å²	97	72.3 Å²	72.3	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-75.8	-33.2	175.9	-80.5	-106.7	0	0	0	111.7	S286 A287 E288 S294	S286-N290 PolarHBondContact O-N 3.05Å; S286-N290 VanDerWaalsContact O-N 3.11Å; S286-N290 PolarHBondContact O-ND2 2.7Å; A287-N290 PolarHBondContact O-N 2.72Å; A287-N290 VanDerWaalsContact O-N 3.12Å; E288-N290 PolarHBondContact O-N 3.09Å; N290-S294 WeakPolarHBondContact O-CB 3.3Å; N290-S294 PolarHBondContact O-N 3.35Å
291	L	97.6	Very high	98	Very high	23 Å²	23	75.4 Å²	75.4	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-49.3	170	172.5	65	0	0	0	111	D112 L116 A287 E288 S294 R295	D112-L291 HydrophobicContact CB-CD1 3.51Å; L116-L291 HydrophobicContact CD2-CD2 3.86Å; A287-L291 PolarHBondContact O-N 3.36Å; E288-L291 PolarHBondContact O-N 3.17Å; L291-S294 WeakPolarHBondContact O-CB 3.43Å; L291-S294 PolarHBondContact O-N 2.98Å; L291-R295 WeakPolarHBondContact O-CB 3.43Å; L291-R295 PolarHBondContact O-N 3.31Å
292	E	97.8	Very high	98	Very high	107 Å²	107	73.1 Å²	73.1	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-39	179.9	-167.5	59.4	-142.9	0	0	112.1	E288 R295 H296	E288-E292 PolarHBondContact O-N 2.81Å; E292-R295 PolarHBondContact O-N 3.05Å; E292-H296 WeakPolarHBondContact O-CB 3.45Å; E292-H296 PolarHBondContact O-N 3.34Å
293	T	98.3	Very high	97.9	Very high	49 Å²	49	71.3 Å²	71.3	30%	0.301	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-47.6	173.6	-56.7	0	0	0	0	110.7	Y289 H296 E297	Y289-T293 VanDerWaalsContact O-CB 3.32Å; Y289-T293 WeakPolarHBondContact O-CB 3.32Å; Y289-T293 PolarHBondContact O-N 2.73Å; Y289-T293 PolarHBondContact O-OG1 3.37Å; T293-H296 PolarHBondContact O-N 3.05Å; T293-E297 WeakPolarHBondContact O-CG 3.36Å; T293-E297 PolarHBondContact O-N 2.99Å
294	S	98.2	Very high	97.9	Very high	19 Å²	19	73.5 Å²	73.5	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-54.4	-59.9	173.1	178.7	0	0	0	0	109.1	R108 D112 N290 L291 H296 E297	R108-S294 PolarHBondContact NH1-O 2.85Å; R108-S294 PolarHBondContact NH1-OG 2.85Å; R108-S294 PolarHBondContact NH2-O 2.8Å; D112-S294 VanDerWaalsContact OD2-CB 3.31Å; D112-S294 WeakPolarHBondContact OD2-CB 3.48Å; D112-S294 PolarHBondContact OD2-OG 3.06Å; N290-S294 WeakPolarHBondContact O-CB 3.3Å; N290-S294 PolarHBondContact O-N 3.35Å; L291-S294 WeakPolarHBondContact O-CB 3.43Å; L291-S294 PolarHBondContact O-N 2.98Å; S294-H296 VanDerWaalsContact C-N 3.3Å; S294-H296 PolarHBondContact O-N 2.67Å; S294-H296 VanDerWaalsContact O-N 3.16Å; S294-E297 WeakPolarHBondContact O-CB 3.43Å; S294-E297 PolarHBondContact O-N 2.99Å
295	R	97.6	Very high	97.7	Very high	82 Å²	82	71.2 Å²	71.2	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-44.7	-53.7	-179.3	173.3	171.6	-111.5	-179.3	2.7	112.1	R108 E109 L291 E292 E297 G298 L299	R108-R295 PolarHBondContact NH2-O 3.35Å; E109-R295 VanDerWaalsContact CD-NH2 3.33Å; E109-R295 IonicContact OE1-CZ 3.86Å; E109-R295 IonicContact OE1-NE 2.94Å; E109-R295 PolarHBondContact OE1-NE 3.27Å; E109-R295 IonicContact OE1-NH2 2.88Å; E109-R295 PolarHBondContact OE1-NH2 2.9Å; E109-R295 IonicContact OE2-CZ 3.25Å; E109-R295 IonicContact OE2-NE 2.84Å; E109-R295 IonicContact OE2-NH2 2.78Å; E109-R295 PolarHBondContact OE2-NH2 3.27Å; L291-R295 WeakPolarHBondContact O-CB 3.43Å; L291-R295 PolarHBondContact O-N 3.31Å; E292-R295 PolarHBondContact O-N 3.05Å; R295-E297 PolarHBondContact O-N 3.41Å; R295-G298 PolarHBondContact O-N 3.38Å; R295-G298 VanDerWaalsContact O-N 3.07Å; R295-L299 HydrophobicContact CG-CD1 3.9Å; R295-L299 HydrophobicContact CG-CG 4.31Å; R295-L299 PolarHBondContact O-N 3.5Å; R295-L299 VanDerWaalsContact O-N 3.12Å
296	H	98.3	Very high	97.7	Very high	127 Å²	127	69.6 Å²	69.6	59%	0.588	35%	0.354	S	S	*	.	H	α-helix	trans	-55.1	-46.4	-179.5	-173.3	52.9	0	0	0	113.2	E292 T293 S294 G298 L299 D300	E292-H296 WeakPolarHBondContact O-CB 3.45Å; E292-H296 PolarHBondContact O-N 3.34Å; T293-H296 PolarHBondContact O-N 3.05Å; S294-H296 VanDerWaalsContact C-N 3.3Å; S294-H296 PolarHBondContact O-N 2.67Å; S294-H296 VanDerWaalsContact O-N 3.16Å; H296-G298 PolarHBondContact O-N 3.49Å; H296-G298 VanDerWaalsContact O-N 3.08Å; H296-L299 PolarHBondContact O-N 3.22Å; H296-L299 VanDerWaalsContact O-N 3.17Å; H296-D300 PolarHBondContact O-N 2.85Å
297	E	97.8	Very high	97.6	Very high	115 Å²	115	72.7 Å²	72.7	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-24.6	177.5	-67.4	172.3	169.1	0	0	114.3	R108 T293 S294 R295 V301	R108-E297 IonicContact NH1-OE2 2.69Å; T293-E297 WeakPolarHBondContact O-CG 3.36Å; T293-E297 PolarHBondContact O-N 2.99Å; S294-E297 WeakPolarHBondContact O-CB 3.43Å; S294-E297 PolarHBondContact O-N 2.99Å; R295-E297 PolarHBondContact O-N 3.41Å; E297-V301 VanDerWaalsContact O-CG2 3.3Å; E297-V301 WeakPolarHBondContact O-CG2 3.37Å; E297-V301 PolarHBondContact O-N 3.1Å
298	G	96.5	Very high	97.4	Very high	6 Å²	6	77.8 Å²	77.8	6%	0.062	39%	0.391	C	S	.	.	H	α-helix	trans	-99.8	-21.2	-179.8	0	0	0	0	0	113.8	R295 H296 I302	R295-G298 PolarHBondContact O-N 3.38Å; R295-G298 VanDerWaalsContact O-N 3.07Å; H296-G298 PolarHBondContact O-N 3.49Å; H296-G298 VanDerWaalsContact O-N 3.08Å; G298-I302 WeakPolarHBondContact O-CD1 3.34Å; G298-I302 WeakPolarHBondContact O-CG1 3.33Å; G298-I302 PolarHBondContact O-N 2.75Å
299	L	97.8	Very high	97.3	Very high	81 Å²	81	79.4 Å²	79.4	42%	0.424	40%	0.401	S	S	.	.	H	α-helix	trans	-68.5	-43.9	164.7	-64.2	177	0	0	0	109.4	R295 H296 V301 I302 E303	R295-L299 HydrophobicContact CG-CD1 3.9Å; R295-L299 HydrophobicContact CG-CG 4.31Å; R295-L299 PolarHBondContact O-N 3.5Å; R295-L299 VanDerWaalsContact O-N 3.12Å; H296-L299 PolarHBondContact O-N 3.22Å; H296-L299 VanDerWaalsContact O-N 3.17Å; L299-V301 VanDerWaalsContact C-N 3.34Å; L299-V301 PolarHBondContact O-N 2.92Å; L299-I302 CarbonylContact O-C 3.54Å; L299-I302 PolarHBondContact O-N 3.43Å; L299-E303 WeakPolarHBondContact O-CB 3.38Å; L299-E303 PolarHBondContact O-N 2.91Å
300	D	98.2	Very high	97	Very high	75 Å²	75	74.7 Å²	74.7	40%	0.401	39%	0.387	S	S	.	.	H	α-helix	trans	-54.9	-45.3	171	172.4	93.6	0	0	0	111.9	H296 I302 E303 N304	H296-D300 PolarHBondContact O-N 2.85Å; D300-I302 VanDerWaalsContact C-N 3.28Å; D300-I302 PolarHBondContact O-N 2.82Å; D300-E303 PolarHBondContact O-N 3.04Å; D300-N304 WeakPolarHBondContact O-CB 3.34Å; D300-N304 PolarHBondContact O-N 3.33Å; D300-N304 PolarHBondContact O-ND2 3.2Å; D300-N304 PolarHBondContact OD1-ND2 2.97Å; D300-N304 PolarHBondContact OD2-ND2 3.3Å
301	V	97.6	Very high	96.8	Very high	69 Å²	69	75 Å²	75	42%	0.418	40%	0.396	S	S	.	.	H	α-helix	trans	-64.5	-29.3	176.1	166.4	0	0	0	0	113.2	L101 E297 L299 A305	L101-V301 HydrophobicContact CD1-CG1 4.23Å; L101-V301 HydrophobicContact CD2-CG1 3.93Å; E297-V301 VanDerWaalsContact O-CG2 3.3Å; E297-V301 WeakPolarHBondContact O-CG2 3.37Å; E297-V301 PolarHBondContact O-N 3.1Å; L299-V301 VanDerWaalsContact C-N 3.34Å; L299-V301 PolarHBondContact O-N 2.92Å; V301-A305 PolarHBondContact O-N 3.03Å
302	I	97.4	Very high	96.7	Very high	30 Å²	30	81.6 Å²	81.6	15%	0.154	42%	0.42	C	S	.	.	H	α-helix	trans	-78.3	-41.4	174.1	-69.4	163.6	0	0	0	110.8	L101 V102 Q105 G298 L299 D300 A305 V306	L101-I302 HydrophobicContact CB-CG1 4.04Å; V102-I302 HydrophobicContact CG2-CD1 4.05Å; V102-I302 HydrophobicContact CG2-CG1 4.46Å; V102-I302 HydrophobicContact CG2-CG2 4.25Å; Q105-I302 HydrophobicContact CB-CD1 3.67Å; Q105-I302 HydrophobicContact CG-CD1 4.01Å; G298-I302 WeakPolarHBondContact O-CD1 3.34Å; G298-I302 WeakPolarHBondContact O-CG1 3.33Å; G298-I302 PolarHBondContact O-N 2.75Å; L299-I302 CarbonylContact O-C 3.54Å; L299-I302 PolarHBondContact O-N 3.43Å; D300-I302 VanDerWaalsContact C-N 3.28Å; D300-I302 PolarHBondContact O-N 2.82Å; I302-A305 WeakPolarHBondContact O-CA 3.34Å; I302-A305 WeakPolarHBondContact O-CB 3.44Å; I302-A305 PolarHBondContact O-N 3.27Å; I302-V306 HydrophobicContact CG2-CG2 4.46Å; I302-V306 WeakPolarHBondContact O-CG2 3.38Å; I302-V306 PolarHBondContact O-N 3.01Å
303	E	97.8	Very high	96.4	Very high	126 Å²	126	79.3 Å²	79.3	59%	0.589	42%	0.416	S	S	*	.	H	α-helix	trans	-59	-50.6	176.1	-174.1	168.9	-159.8	0	0	110.6	L299 D300 A305 V306 D307	L299-E303 WeakPolarHBondContact O-CB 3.38Å; L299-E303 PolarHBondContact O-N 2.91Å; D300-E303 PolarHBondContact O-N 3.04Å; E303-A305 PolarHBondContact O-N 3.36Å; E303-A305 VanDerWaalsContact O-N 3.14Å; E303-V306 PolarHBondContact O-N 3.26Å; E303-D307 PolarHBondContact O-N 3.43Å
304	N	97.2	Very high	96.2	Very high	79 Å²	79	78 Å²	78	42%	0.422	41%	0.407	S	S	.	.	H	α-helix	trans	-55.8	-30.7	171	-81.5	-89	0	0	0	112.9	D300 N308	D300-N304 WeakPolarHBondContact O-CB 3.34Å; D300-N304 PolarHBondContact O-N 3.33Å; D300-N304 PolarHBondContact O-ND2 3.2Å; D300-N304 PolarHBondContact OD1-ND2 2.97Å; D300-N304 PolarHBondContact OD2-ND2 3.3Å; N304-N308 PolarHBondContact O-N 3.28Å; N304-N308 PolarHBondContact O-ND2 2.87Å
305	A	95.4	Very high	96	Very high	7 Å²	7	82.6 Å²	82.6	6%	0.058	43%	0.425	C	S	.	.	H	α-helix	trans	-78.6	-35.9	176.9	0	0	0	0	0	112.6	C98 L101 V301 I302 E303 N308	C98-A305 PolarHBondContact SG-O 3.06Å; L101-A305 HydrophobicContact CD1-CB 3.49Å; L101-A305 VanDerWaalsContact CD1-CB 3.49Å; V301-A305 PolarHBondContact O-N 3.03Å; I302-A305 WeakPolarHBondContact O-CA 3.34Å; I302-A305 WeakPolarHBondContact O-CB 3.44Å; I302-A305 PolarHBondContact O-N 3.27Å; E303-A305 PolarHBondContact O-N 3.36Å; E303-A305 VanDerWaalsContact O-N 3.14Å; A305-N308 CarbonylContact O-C 3.57Å; A305-N308 PolarHBondContact O-N 2.93Å
306	V	96.9	Very high	95.7	Very high	74 Å²	74	82.8 Å²	82.8	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-64.5	-42.2	174	171.8	0	0	0	0	110.7	I302 E303 N308 L309	I302-V306 HydrophobicContact CG2-CG2 4.46Å; I302-V306 WeakPolarHBondContact O-CG2 3.38Å; I302-V306 PolarHBondContact O-N 3.01Å; E303-V306 PolarHBondContact O-N 3.26Å; V306-N308 PolarHBondContact O-N 3.02Å; V306-L309 HydrophobicContact CG1-CD1 4.14Å; V306-L309 VanDerWaalsContact O-CB 3.32Å; V306-L309 WeakPolarHBondContact O-CB 3.48Å; V306-L309 WeakPolarHBondContact O-CD1 3.47Å; V306-L309 VanDerWaalsContact O-CG 3.24Å; V306-L309 WeakPolarHBondContact O-CG 3.49Å; V306-L309 PolarHBondContact O-N 2.99Å; V306-L309 VanDerWaalsContact O-N 3.12Å
307	D	96.4	Very high	95.3	Very high	132 Å²	132	78 Å²	78	71%	0.706	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.6	173.3	-81.9	-5.1	0	0	0	113.5	E303	E303-D307 PolarHBondContact O-N 3.43Å
308	N	94.4	Very high	94.8	Very high	117 Å²	117	74.9 Å²	74.9	63%	0.626	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	16.2	177.9	-79.5	-80.1	0	0	0	113.6	N304 A305 V306 D310	N304-N308 PolarHBondContact O-N 3.28Å; N304-N308 PolarHBondContact O-ND2 2.87Å; A305-N308 CarbonylContact O-C 3.57Å; A305-N308 PolarHBondContact O-N 2.93Å; V306-N308 PolarHBondContact O-N 3.02Å; N308-D310 PolarHBondContact O-N 3.34Å; N308-D310 VanDerWaalsContact O-N 3.11Å
309	L	95.4	Very high	94.6	Very high	84 Å²	84	78.4 Å²	78.4	44%	0.44	41%	0.413	S	S	.	.			trans	-70.4	98.8	172.3	-72.6	171.6	0	0	0	111.7	S94 P95 V306	S94-L309 WeakPolarHBondContact OG-CA 3.29Å; P95-L309 HydrophobicContact CB-CD2 4.29Å; P95-L309 HydrophobicContact CG-CD2 4.08Å; V306-L309 HydrophobicContact CG1-CD1 4.14Å; V306-L309 VanDerWaalsContact O-CB 3.32Å; V306-L309 WeakPolarHBondContact O-CB 3.48Å; V306-L309 WeakPolarHBondContact O-CD1 3.47Å; V306-L309 VanDerWaalsContact O-CG 3.24Å; V306-L309 WeakPolarHBondContact O-CG 3.49Å; V306-L309 PolarHBondContact O-N 2.99Å; V306-L309 VanDerWaalsContact O-N 3.12Å
310	D	93.6	Very high	94	Very high	69 Å²	69	80.1 Å²	80.1	37%	0.369	42%	0.423	S	S	.	.			trans	-121.8	99.7	178.8	-178.4	20.1	0	0	0	113.7	S94 N308 R312 S313 D314	S94-D310 PolarHBondContact OG-N 2.73Å; N308-D310 PolarHBondContact O-N 3.34Å; N308-D310 VanDerWaalsContact O-N 3.11Å; D310-R312 PolarHBondContact O-N 3.19Å; D310-R312 VanDerWaalsContact O-N 3.09Å; D310-R312 WeakPolarHBondContact OD1-CA 3.4Å; D310-R312 VanDerWaalsContact OD1-CB 3.23Å; D310-R312 WeakPolarHBondContact OD1-CB 3.22Å; D310-R312 PolarHBondContact OD1-N 2.8Å; D310-S313 VanDerWaalsContact CG-N 3.31Å; D310-S313 PolarHBondContact O-N 3.44Å; D310-S313 VanDerWaalsContact O-N 3.15Å; D310-S313 WeakPolarHBondContact OD2-CB 3.3Å; D310-S313 PolarHBondContact OD2-N 3.14Å; D310-D314 PolarHBondContact O-N 3.02Å
311	S	93.1	Very high	93.3	Very high	103 Å²	103	81.6 Å²	81.6	72%	0.72	43%	0.429	S	S	*	.	H	α-helix	trans	-54.7	-23.9	171.6	67.4	0	0	0	0	114.8	K315	S311-K315 VanDerWaalsContact O-CB 3.25Å; S311-K315 WeakPolarHBondContact O-CB 3.34Å; S311-K315 PolarHBondContact O-N 3.32Å; S311-K315 VanDerWaalsContact O-N 3.14Å
312	R	94.4	Very high	92.7	Very high	162 Å²	162	80.5 Å²	80.5	61%	0.611	42%	0.424	S	S	*	.	H	α-helix	trans	-79.3	-47.3	176.4	-177.6	-178.9	175.5	173.3	-2.6	111.1	D310 K315 H316	D310-R312 PolarHBondContact O-N 3.19Å; D310-R312 VanDerWaalsContact O-N 3.09Å; D310-R312 WeakPolarHBondContact OD1-CA 3.4Å; D310-R312 VanDerWaalsContact OD1-CB 3.23Å; D310-R312 WeakPolarHBondContact OD1-CB 3.22Å; D310-R312 PolarHBondContact OD1-N 2.8Å; R312-K315 PolarHBondContact O-N 2.87Å; R312-H316 PolarHBondContact O-CD2 2.96Å; R312-H316 PolarHBondContact O-N 2.93Å
313	S	92.7	Very high	92.2	Very high	60 Å²	60	83.6 Å²	83.6	42%	0.42	44%	0.44	S	S	.	.	H	α-helix	trans	-55.5	-52.1	170.9	-173.7	0	0	0	0	110.3	D310 K315 H316 T317	D310-S313 VanDerWaalsContact CG-N 3.31Å; D310-S313 PolarHBondContact O-N 3.44Å; D310-S313 VanDerWaalsContact O-N 3.15Å; D310-S313 WeakPolarHBondContact OD2-CB 3.3Å; D310-S313 PolarHBondContact OD2-N 3.14Å; S313-K315 VanDerWaalsContact C-N 3.33Å; S313-K315 PolarHBondContact O-N 2.94Å; S313-H316 CarbonylContact O-C 3.6Å; S313-H316 WeakPolarHBondContact O-CA 3.42Å; S313-H316 WeakPolarHBondContact O-CB 3.45Å; S313-H316 PolarHBondContact O-N 2.68Å; S313-T317 PolarHBondContact O-N 2.77Å; S313-T317 PolarHBondContact O-OG1 2.83Å
314	D	93.1	Very high	91.7	Very high	22 Å²	22	86.4 Å²	86.4	12%	0.118	45%	0.453	C	S	.	.	H	α-helix	trans	-57.6	-43.4	179.6	-72.6	-27.1	0	0	0	112.6	L93 S94 P95 D310 H316 T317 V318	L93-D314 VanDerWaalsContact CA-OD1 3.25Å; L93-D314 WeakPolarHBondContact CA-OD1 3.29Å; L93-D314 HydrophobicContact CD2-CB 4.13Å; S94-D314 WeakPolarHBondContact CB-OD2 3.39Å; S94-D314 PolarHBondContact N-OD1 2.96Å; S94-D314 PolarHBondContact N-OD2 3.37Å; S94-D314 PolarHBondContact OG-OD2 3.32Å; P95-D314 WeakPolarHBondContact CD-OD2 3.25Å; D310-D314 PolarHBondContact O-N 3.02Å; D314-H316 VanDerWaalsContact C-N 3.32Å; D314-H316 PolarHBondContact O-N 3.36Å; D314-T317 WeakPolarHBondContact O-CB 3.47Å; D314-T317 PolarHBondContact O-N 3.47Å; D314-V318 WeakPolarHBondContact O-CG2 3.24Å; D314-V318 PolarHBondContact O-N 3.09Å
315	K	93.7	Very high	91.5	Very high	114 Å²	114	88 Å²	88	50%	0.496	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-39.3	173.8	-179	-167.9	72.4	-162.8	0	112.2	S311 R312 S313 M319	S311-K315 VanDerWaalsContact O-CB 3.25Å; S311-K315 WeakPolarHBondContact O-CB 3.34Å; S311-K315 PolarHBondContact O-N 3.32Å; S311-K315 VanDerWaalsContact O-N 3.14Å; R312-K315 PolarHBondContact O-N 2.87Å; S313-K315 VanDerWaalsContact C-N 3.33Å; S313-K315 PolarHBondContact O-N 2.94Å; K315-M319 HydrophobicContact CG-SD 4.31Å; K315-M319 WeakPolarHBondContact O-CB 3.49Å; K315-M319 VanDerWaalsContact O-CG 3.25Å; K315-M319 WeakPolarHBondContact O-CG 3.47Å; K315-M319 PolarHBondContact O-N 2.99Å
316	H	91.5	Very high	91.3	Very high	86 Å²	86	93 Å²	93	40%	0.398	49%	0.487	S	S	.	.	H	α-helix	trans	-66.5	-44.1	174.8	-75.4	-62.8	0	0	0	111.2	R312 S313 D314 V318 M319 D320	R312-H316 PolarHBondContact O-CD2 2.96Å; R312-H316 PolarHBondContact O-N 2.93Å; S313-H316 CarbonylContact O-C 3.6Å; S313-H316 WeakPolarHBondContact O-CA 3.42Å; S313-H316 WeakPolarHBondContact O-CB 3.45Å; S313-H316 PolarHBondContact O-N 2.68Å; D314-H316 VanDerWaalsContact C-N 3.32Å; D314-H316 PolarHBondContact O-N 3.36Å; H316-V318 PolarHBondContact O-N 3.33Å; H316-M319 PolarHBondContact O-N 3.21Å; H316-D320 WeakPolarHBondContact O-CB 3.45Å; H316-D320 PolarHBondContact O-N 2.75Å
317	T	89.9	Confident	91	Very high	27 Å²	27	92.5 Å²	92.5	17%	0.166	49%	0.485	C	S	.	.	H	α-helix	trans	-56.3	-46.6	173.6	-58.6	0	0	0	0	112	Y91 L93 S313 D314 D320 M321	Y91-T317 HydrophobicContact CD1-CG2 4.34Å; L93-T317 HydrophobicContact CD2-CG2 3.85Å; S313-T317 PolarHBondContact O-N 2.77Å; S313-T317 PolarHBondContact O-OG1 2.83Å; D314-T317 WeakPolarHBondContact O-CB 3.47Å; D314-T317 PolarHBondContact O-N 3.47Å; T317-D320 PolarHBondContact O-N 3.16Å; T317-M321 WeakPolarHBondContact O-CB 3.45Å; T317-M321 PolarHBondContact O-N 2.6Å
318	V	88.3	Confident	90.7	Very high	49 Å²	49	91.9 Å²	91.9	30%	0.297	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-41.9	175.7	172.1	0	0	0	0	111.7	L93 D314 H316 C322 F326	L93-V318 HydrophobicContact CD1-CG2 4.04Å; L93-V318 HydrophobicContact CD2-CG2 3.84Å; D314-V318 WeakPolarHBondContact O-CG2 3.24Å; D314-V318 PolarHBondContact O-N 3.09Å; H316-V318 PolarHBondContact O-N 3.33Å; V318-C322 VanDerWaalsContact O-CB 3.32Å; V318-C322 WeakPolarHBondContact O-CB 3.35Å; V318-C322 PolarHBondContact O-N 3.19Å; V318-F326 HydrophobicContact CG1-CE2 4.22Å
319	M	90.9	Very high	90.5	Very high	80 Å²	80	91.8 Å²	91.8	39%	0.394	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-36.4	178.1	-75.9	-176.6	71.4	0	0	113	K315 H316 C322 N323 F326	K315-M319 HydrophobicContact CG-SD 4.31Å; K315-M319 WeakPolarHBondContact O-CB 3.49Å; K315-M319 VanDerWaalsContact O-CG 3.25Å; K315-M319 WeakPolarHBondContact O-CG 3.47Å; K315-M319 PolarHBondContact O-N 2.99Å; H316-M319 PolarHBondContact O-N 3.21Å; M319-C322 CarbonylContact O-C 3.58Å; M319-N323 WeakPolarHBondContact O-CA 3.46Å; M319-N323 PolarHBondContact O-N 2.85Å; M319-F326 HydrophobicContact CG-CD2 4.31Å; M319-F326 HydrophobicContact CG-CG 4.48Å
320	D	86.6	Confident	90.4	Very high	117 Å²	117	95.7 Å²	95.7	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-78	-38.7	178.2	-75.6	-15.4	0	0	0	111.9	H316 T317 N323	H316-D320 WeakPolarHBondContact O-CB 3.45Å; H316-D320 PolarHBondContact O-N 2.75Å; T317-D320 PolarHBondContact O-N 3.16Å; D320-N323 VanDerWaalsContact O-CB 3.29Å; D320-N323 WeakPolarHBondContact O-CB 3.49Å; D320-N323 PolarHBondContact O-N 3.4Å
321	M	83.6	Confident	90.3	Very high	107 Å²	107	101.8 Å²	101.8	53%	0.527	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-43.7	174.4	-174.2	170.6	71.1	0	0	111.4	T317	T317-M321 WeakPolarHBondContact O-CB 3.45Å; T317-M321 PolarHBondContact O-N 2.6Å
322	C	85.4	Confident	90.3	Very high	46 Å²	46	107.1 Å²	107.1	31%	0.311	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	29.9	178.1	-61.9	0	0	0	0	112.8	V318 M319 Q324 V325 F326	V318-C322 VanDerWaalsContact O-CB 3.32Å; V318-C322 WeakPolarHBondContact O-CB 3.35Å; V318-C322 PolarHBondContact O-N 3.19Å; M319-C322 CarbonylContact O-C 3.58Å; C322-Q324 PolarHBondContact O-N 2.82Å; C322-Q324 VanDerWaalsContact O-N 3.1Å; C322-V325 HydrophobicContact CB-CB 4.47Å; C322-V325 HydrophobicContact CB-CG2 4.43Å; C322-V325 WeakPolarHBondContact O-CA 3.43Å; C322-V325 WeakPolarHBondContact O-CB 3.47Å; C322-V325 PolarHBondContact O-N 2.81Å; C322-F326 HydrophobicContact CB-CD2 3.76Å; C322-F326 HydrophobicContact CB-CE2 3.64Å; C322-F326 WeakPolarHBondContact O-CD2 3.39Å; C322-F326 PolarHBondContact O-N 3.48Å
323	N	86.7	Confident	90.2	Very high	94 Å²	94	107 Å²	107	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-52	-37.1	-175.2	-179.4	1.6	0	0	0	113.2	M319 D320 V325 F326 C327	M319-N323 WeakPolarHBondContact O-CA 3.46Å; M319-N323 PolarHBondContact O-N 2.85Å; D320-N323 VanDerWaalsContact O-CB 3.29Å; D320-N323 WeakPolarHBondContact O-CB 3.49Å; D320-N323 PolarHBondContact O-N 3.4Å; N323-V325 VanDerWaalsContact C-N 3.25Å; N323-V325 PolarHBondContact O-N 3.04Å; N323-F326 PolarHBondContact O-N 3.06Å; N323-C327 WeakPolarHBondContact O-CB 3.44Å; N323-C327 PolarHBondContact O-N 3.4Å
324	Q	87.1	Confident	90.1	Very high	185 Å²	185	109.4 Å²	109.4	86%	0.864	56%	0.558	S	S	*	*	H	α-helix	trans	-59.5	-34.4	176.1	-63.3	-169.1	76.1	0	0	113.2	C322 C327	C322-Q324 PolarHBondContact O-N 2.82Å; C322-Q324 VanDerWaalsContact O-N 3.1Å; Q324-C327 PolarHBondContact O-SG 3.28Å; Q324-C327 VanDerWaalsContact O-SG 3.35Å
325	V	91.8	Very high	90.1	Very high	114 Å²	114	115.1 Å²	115.1	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-78.5	-38.6	178.1	-174.7	0	0	0	0	111.4	C322 N323	C322-V325 HydrophobicContact CB-CB 4.47Å; C322-V325 HydrophobicContact CB-CG2 4.43Å; C322-V325 WeakPolarHBondContact O-CA 3.43Å; C322-V325 WeakPolarHBondContact O-CB 3.47Å; C322-V325 PolarHBondContact O-N 2.81Å; N323-V325 VanDerWaalsContact C-N 3.25Å; N323-V325 PolarHBondContact O-N 3.04Å
326	F	91.3	Very high	90	Very high	111 Å²	111	113.2 Å²	113.2	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-94.6	-4.6	-174.2	-64.2	-62.5	0	0	0	114.9	V318 M319 C322 N323	V318-F326 HydrophobicContact CG1-CE2 4.22Å; M319-F326 HydrophobicContact CG-CD2 4.31Å; M319-F326 HydrophobicContact CG-CG 4.48Å; C322-F326 HydrophobicContact CB-CD2 3.76Å; C322-F326 HydrophobicContact CB-CE2 3.64Å; C322-F326 WeakPolarHBondContact O-CD2 3.39Å; C322-F326 PolarHBondContact O-N 3.48Å; N323-F326 PolarHBondContact O-N 3.06Å
327	C	90.6	Very high	90	Very high	63 Å²	63	116.2 Å²	116.2	43%	0.426	60%	0.598	S	S	.	*	S	Bend	trans	-68.3	139.1	179.7	71	0	0	0	0	112.1	N323 Q324	N323-C327 WeakPolarHBondContact O-CB 3.44Å; N323-C327 PolarHBondContact O-N 3.4Å; Q324-C327 PolarHBondContact O-SG 3.28Å; Q324-C327 VanDerWaalsContact O-SG 3.35Å
328	P	90.9	Very high	89.9	Confident	119 Å²	119	123.3 Å²	123.3	77%	0.773	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-71.6	132	-178.4	27.8	-33.9	0	0	0	111.1
329	P	91	Very high	89.9	Confident	116 Å²	116	123.7 Å²	123.7	75%	0.753	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-67.4	161.9	-179.7	28.1	-35.6	0	0	0	112.4	K331	P329-K331 PolarHBondContact O-N 3.31Å
330	L	91.7	Very high	90	Very high	166 Å²	166	123.5 Å²	123.5	87%	0.869	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-56.8	137.3	174.3	-66.2	176.6	0	0	0	111	F332	L330-F332 PolarHBondContact O-N 3.18Å
331	K	93.1	Very high	89.9	Confident	197 Å²	197	126.9 Å²	126.9	86%	0.857	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-64.6	134.3	176.8	-66.5	-176.9	178.5	-179.4	0	110.2	P329 E333	P329-K331 PolarHBondContact O-N 3.31Å; K331-E333 PolarHBondContact O-N 3Å
332	F	92.1	Very high	90	Very high	214 Å²	214	125.9 Å²	125.9	94%	0.939	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-64	122.2	172.4	-61.1	-74.6	0	0	0	110.7	L330	L330-F332 PolarHBondContact O-N 3.18Å
333	E	92.4	Very high	90	Very high	159 Å²	159	128 Å²	128	74%	0.743	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-97	146.5	172.9	-63.4	-173.1	162.2	0	0	110.5	K331 Q335	K331-E333 PolarHBondContact O-N 3Å; E333-Q335 PolarHBondContact O-N 3.03Å; E333-Q335 PolarHBondContact O-NE2 2.94Å
334	F	91.3	Very high	90.1	Very high	112 Å²	112	130.9 Å²	130.9	49%	0.491	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-55	133.6	171.9	171.9	-102.8	0	0	0	110.6	P336 C343	F334-P336 HydrophobicContact CD1-CG 4.16Å; F334-P336 HydrophobicContact CE1-CB 4.44Å; F334-P336 HydrophobicContact CE1-CG 3.99Å; F334-P336 WeakPolarHBondContact O-CD 3.26Å; F334-C343 HydrophobicContact CD1-CB 3.85Å; F334-C343 HydrophobicContact CE1-CB 4.1Å
335	Q	92.2	Very high	90.2	Very high	142 Å²	142	124.7 Å²	124.7	66%	0.664	66%	0.657	S	S	*	*			trans	-107.9	105.7	-179.4	-61.4	-56.1	-60.2	0	0	109.9	E333 H337	E333-Q335 PolarHBondContact O-N 3.03Å; E333-Q335 PolarHBondContact O-NE2 2.94Å; Q335-H337 PolarHBondContact O-N 2.77Å; Q335-H337 VanDerWaalsContact O-N 3.13Å
336	P	91.3	Very high	90	Very high	74 Å²	74	122.2 Å²	122.2	48%	0.481	65%	0.645	S	S	.	*			trans	-55.6	114.9	176.9	-31	38.3	0	0	0	113.1	F334 D340	F334-P336 HydrophobicContact CD1-CG 4.16Å; F334-P336 HydrophobicContact CE1-CB 4.44Å; F334-P336 HydrophobicContact CE1-CG 3.99Å; F334-P336 WeakPolarHBondContact O-CD 3.26Å; P336-D340 WeakPolarHBondContact CB-O 3.16Å
337	H	91.4	Very high	89.9	Confident	149 Å²	149	118 Å²	118	69%	0.69	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-77.5	127.7	172.7	-179.3	-104.7	0	0	0	109.6	Q335 G339 D340	Q335-H337 PolarHBondContact O-N 2.77Å; Q335-H337 VanDerWaalsContact O-N 3.13Å; H337-G339 PolarHBondContact O-N 3.45Å; H337-D340 WeakPolarHBondContact O-CB 3.45Å; H337-D340 PolarHBondContact O-N 2.91Å; H337-D340 VanDerWaalsContact O-N 3.07Å
338	M	88.4	Confident	89.6	Confident	175 Å²	175	121.9 Å²	121.9	86%	0.862	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	52.8	22.4	177.5	-63.9	-64.4	-72.6	0	0	116
339	G	87.7	Confident	89.5	Confident	58 Å²	58	123.7 Å²	123.7	60%	0.598	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	89.6	19.5	179.9	0	0	0	0	0	115.2	H337 E341	H337-G339 PolarHBondContact O-N 3.45Å; G339-E341 PolarHBondContact O-N 3.21Å
340	D	93.1	Very high	88.9	Confident	76 Å²	76	123.1 Å²	123.1	41%	0.406	64%	0.636	S	S	.	*			trans	-50.8	119.2	173.4	-171	-1.6	0	0	0	112.7	P336 H337 V342	P336-D340 WeakPolarHBondContact CB-O 3.16Å; H337-D340 WeakPolarHBondContact O-CB 3.45Å; H337-D340 PolarHBondContact O-N 2.91Å; H337-D340 VanDerWaalsContact O-N 3.07Å; D340-V342 VanDerWaalsContact C-N 3.31Å; D340-V342 WeakPolarHBondContact OD1-CB 3.46Å; D340-V342 PolarHBondContact OD1-N 3.48Å
341	E	85.9	Confident	88.8	Confident	187 Å²	187	118.5 Å²	118.5	87%	0.874	62%	0.615	S	S	*	*			trans	-81.3	-10.6	179.7	-59.3	-170.2	157.9	0	0	112.4	G339 C343	G339-E341 PolarHBondContact O-N 3.21Å; E341-C343 PolarHBondContact O-N 2.95Å
342	V	85.4	Confident	88.6	Confident	87 Å²	87	112.1 Å²	112.1	53%	0.527	59%	0.588	S	S	.	*			trans	-89.7	91.6	-175.6	-172.9	0	0	0	0	111.2	D340	D340-V342 VanDerWaalsContact C-N 3.31Å; D340-V342 WeakPolarHBondContact OD1-CB 3.46Å; D340-V342 PolarHBondContact OD1-N 3.48Å
343	C	85.2	Confident	88.5	Confident	91 Å²	91	106 Å²	106	62%	0.615	57%	0.568	S	S	*	*			trans	-95.7	13.9	177.7	65.5	0	0	0	0	114.9	F334 E341	F334-C343 HydrophobicContact CD1-CB 3.85Å; F334-C343 HydrophobicContact CE1-CB 4.1Å; E341-C343 PolarHBondContact O-N 2.95Å
344	Q	88.3	Confident	88.5	Confident	154 Å²	154	105 Å²	105	72%	0.72	56%	0.564	S	S	*	*	S	Bend	trans	-134	160.6	-175.7	-64.9	-178.2	-6.8	0	0	111.3	S346	Q344-S346 PolarHBondContact O-N 3.09Å
345	V	90.1	Very high	88.5	Confident	54 Å²	54	100.7 Å²	100.7	33%	0.327	55%	0.546	S	S	.	.			trans	-70.7	121.8	177.3	-178.7	0	0	0	0	109.3	L355 L462 L463 T466	V345-L355 HydrophobicContact CG1-CD1 3.96Å; V345-L462 HydrophobicContact CG2-CD2 3.89Å; V345-L462 HydrophobicContact CG2-CG 4.05Å; V345-L463 HydrophobicContact CG1-CD2 4.32Å; V345-T466 HydrophobicContact CB-CG2 3.94Å; V345-T466 HydrophobicContact CG1-CG2 4.11Å; V345-T466 WeakPolarHBondContact O-CG2 3.42Å
346	S	87.6	Confident	88.5	Confident	63 Å²	63	97.8 Å²	97.8	44%	0.441	53%	0.534	S	S	.	.			trans	-84.3	119	174.1	-175.8	0	0	0	0	110.9	Q344 L355	Q344-S346 PolarHBondContact O-N 3.09Å; S346-L355 WeakPolarHBondContact O-CD1 3.45Å
347	A	87.8	Confident	88.6	Confident	21 Å²	21	101 Å²	101	17%	0.174	54%	0.544	C	S	.	.			trans	-106	39.7	175.2	0	0	0	0	0	112.4	Q352 L355 T466 L467	A347-Q352 HydrophobicContact CB-CG 4.46Å; A347-Q352 VanDerWaalsContact O-CB 3.29Å; A347-Q352 WeakPolarHBondContact O-CB 3.41Å; A347-Q352 VanDerWaalsContact O-CD 3.31Å; A347-Q352 WeakPolarHBondContact O-CG 3.4Å; A347-L355 HydrophobicContact CB-CD1 4.23Å; A347-T466 HydrophobicContact CB-CG2 3.75Å; A347-L467 HydrophobicContact CB-CD2 4.14Å
348	Q	85.8	Confident	88.8	Confident	145 Å²	145	100.8 Å²	100.8	68%	0.678	54%	0.538	S	S	*	.			trans	-84.6	158.9	173.1	-64.1	178.7	-2.5	0	0	111.2	V351 Q352	Q348-V351 PolarHBondContact O-N 3.26Å; Q348-V351 VanDerWaalsContact O-N 3.08Å; Q348-Q352 PolarHBondContact O-N 2.98Å
349	Q	86.9	Confident	89.1	Confident	157 Å²	157	94 Å²	94	73%	0.734	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	146.4	174.2	-72.3	-163.1	11.2	0	0	111.7	Q352	Q349-Q352 HydrophobicContact CG-CB 4.47Å
350	P	79.8	Confident	89.4	Confident	104 Å²	104	95.9 Å²	95.9	68%	0.675	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	cis	-80.5	-15.2	3.5	32.5	-36.3	0	0	0	114.7	Q352 T353	P350-Q352 VanDerWaalsContact C-N 3.28Å; P350-Q352 PolarHBondContact O-N 2.93Å; P350-T353 PolarHBondContact O-N 3.38Å
351	V	89.1	Confident	89.5	Confident	69 Å²	69	98.9 Å²	98.9	42%	0.418	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-28.6	-167.2	-172.7	0	0	0	0	113.2	Q348 T353 E354 L355	Q348-V351 PolarHBondContact O-N 3.26Å; Q348-V351 VanDerWaalsContact O-N 3.08Å; V351-T353 VanDerWaalsContact C-N 3.25Å; V351-T353 PolarHBondContact O-N 3.29Å; V351-T353 VanDerWaalsContact O-N 3.15Å; V351-E354 PolarHBondContact O-N 3.31Å; V351-E354 VanDerWaalsContact O-N 3.1Å; V351-L355 HydrophobicContact CG1-CD1 4.16Å; V351-L355 HydrophobicContact CG1-CG 4.06Å; V351-L355 PolarHBondContact O-N 2.58Å; V351-L355 VanDerWaalsContact O-N 3.08Å
352	Q	89.8	Confident	90	Very high	64 Å²	64	90.8 Å²	90.8	30%	0.299	47%	0.47	S	S	.	.	H	α-helix	trans	-46.3	-44	177.2	-166.4	178.1	23.9	0	0	113.9	A347 Q348 Q349 P350 L355 L356 L467	A347-Q352 HydrophobicContact CB-CG 4.46Å; A347-Q352 VanDerWaalsContact O-CB 3.29Å; A347-Q352 WeakPolarHBondContact O-CB 3.41Å; A347-Q352 VanDerWaalsContact O-CD 3.31Å; A347-Q352 WeakPolarHBondContact O-CG 3.4Å; Q348-Q352 PolarHBondContact O-N 2.98Å; Q349-Q352 HydrophobicContact CG-CB 4.47Å; P350-Q352 VanDerWaalsContact C-N 3.28Å; P350-Q352 PolarHBondContact O-N 2.93Å; Q352-L355 PolarHBondContact O-N 2.95Å; Q352-L356 PolarHBondContact O-N 2.78Å; Q352-L467 HydrophobicContact CG-CD2 4.44Å
353	T	88.2	Confident	90.5	Very high	84 Å²	84	90.7 Å²	90.7	52%	0.515	46%	0.464	S	S	.	.	H	α-helix	trans	-67.3	-41	-177.3	-51.6	0	0	0	0	111.8	P350 V351 L356 M357	P350-T353 PolarHBondContact O-N 3.38Å; V351-T353 VanDerWaalsContact C-N 3.25Å; V351-T353 PolarHBondContact O-N 3.29Å; V351-T353 VanDerWaalsContact O-N 3.15Å; T353-L356 PolarHBondContact O-N 3Å; T353-M357 WeakPolarHBondContact O-CG 3.44Å; T353-M357 PolarHBondContact O-N 3.06Å
354	E	92.3	Very high	91	Very high	139 Å²	139	90.2 Å²	90.2	65%	0.65	46%	0.462	S	S	*	.	H	α-helix	trans	-65.6	-40.4	176.1	-63.2	-178.5	-162.6	0	0	111.3	V351 M357 R358	V351-E354 PolarHBondContact O-N 3.31Å; V351-E354 VanDerWaalsContact O-N 3.1Å; E354-M357 PolarHBondContact O-N 3.19Å; E354-R358 VanDerWaalsContact O-CB 3.23Å; E354-R358 WeakPolarHBondContact O-CB 3.48Å; E354-R358 PolarHBondContact O-N 3.18Å
355	L	92.6	Very high	91.4	Very high	22 Å²	22	89.9 Å²	89.9	12%	0.115	45%	0.454	C	S	.	.	H	α-helix	trans	-65	-38.7	176	-63.8	179.9	0	0	0	112.1	V345 S346 A347 V351 Q352 R358 Y359 L463 L467	V345-L355 HydrophobicContact CG1-CD1 3.96Å; S346-L355 WeakPolarHBondContact O-CD1 3.45Å; A347-L355 HydrophobicContact CB-CD1 4.23Å; V351-L355 HydrophobicContact CG1-CD1 4.16Å; V351-L355 HydrophobicContact CG1-CG 4.06Å; V351-L355 PolarHBondContact O-N 2.58Å; V351-L355 VanDerWaalsContact O-N 3.08Å; Q352-L355 PolarHBondContact O-N 2.95Å; L355-R358 PolarHBondContact O-N 2.65Å; L355-Y359 WeakPolarHBondContact O-CB 3.42Å; L355-Y359 PolarHBondContact O-N 3.37Å; L355-L463 HydrophobicContact CB-CD2 4.37Å; L355-L463 HydrophobicContact CD2-CD2 3.94Å; L355-L467 HydrophobicContact CB-CD2 4.27Å
356	L	92.8	Very high	91.8	Very high	81 Å²	81	87.5 Å²	87.5	42%	0.424	44%	0.439	S	S	.	.	H	α-helix	trans	-67.3	-43.7	176.5	-175.3	63.5	0	0	0	112.2	Q352 T353 R358 Y359 H360 L467	Q352-L356 PolarHBondContact O-N 2.78Å; T353-L356 PolarHBondContact O-N 3Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 2.77Å; L356-Y359 HydrophobicContact CD1-CD1 4.49Å; L356-Y359 PolarHBondContact O-N 2.87Å; L356-H360 PolarHBondContact O-CD2 3.5Å; L356-H360 PolarHBondContact O-N 3.25Å; L356-H360 VanDerWaalsContact O-N 3.15Å; L356-L467 HydrophobicContact CB-CD1 4.47Å; L356-L467 HydrophobicContact CD1-CD1 4.19Å
357	M	92.7	Very high	92.2	Very high	140 Å²	140	87.1 Å²	87.1	69%	0.69	44%	0.44	S	S	*	.	H	α-helix	trans	-60.7	-42.4	172.3	-71.2	-171.7	69.4	0	0	111.5	T353 E354 H360 Q361	T353-M357 WeakPolarHBondContact O-CG 3.44Å; T353-M357 PolarHBondContact O-N 3.06Å; E354-M357 PolarHBondContact O-N 3.19Å; M357-H360 PolarHBondContact O-N 3.31Å; M357-Q361 WeakPolarHBondContact O-CB 3.4Å; M357-Q361 PolarHBondContact O-N 2.98Å
358	R	95.1	Very high	92.7	Very high	146 Å²	146	89.6 Å²	89.6	55%	0.551	45%	0.453	S	S	*	.	H	α-helix	trans	-65.6	-37.1	177.6	-167.3	175.6	-163.2	160.3	7.6	112.6	E354 L355 L356 Q361 L362 L463	E354-R358 VanDerWaalsContact O-CB 3.23Å; E354-R358 WeakPolarHBondContact O-CB 3.48Å; E354-R358 PolarHBondContact O-N 3.18Å; L355-R358 PolarHBondContact O-N 2.65Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 2.77Å; R358-Q361 PolarHBondContact O-N 3.16Å; R358-L362 HydrophobicContact CG-CD1 4.39Å; R358-L362 WeakPolarHBondContact O-CB 3.31Å; R358-L362 VanDerWaalsContact O-CG 3.28Å; R358-L362 WeakPolarHBondContact O-CG 3.47Å; R358-L362 PolarHBondContact O-N 3.01Å; R358-L463 HydrophobicContact CG-CD1 4.33Å
359	Y	94.8	Very high	93.2	Very high	32 Å²	32	83.9 Å²	83.9	13%	0.125	43%	0.427	C	S	.	.	H	α-helix	trans	-60	-52.6	173.8	166.5	-103.2	0	0	0	111.1	L355 L356 Q361 L362 Q363 H460 L463 K464 L467	L355-Y359 WeakPolarHBondContact O-CB 3.42Å; L355-Y359 PolarHBondContact O-N 3.37Å; L356-Y359 HydrophobicContact CD1-CD1 4.49Å; L356-Y359 PolarHBondContact O-N 2.87Å; Y359-Q361 VanDerWaalsContact C-N 3.34Å; Y359-Q361 PolarHBondContact O-N 3.44Å; Y359-L362 PolarHBondContact O-N 3.07Å; Y359-Q363 WeakPolarHBondContact O-CB 3.44Å; Y359-Q363 PolarHBondContact O-N 3.4Å; Y359-H460 AromaticContact CD2-CD2 3.89Å; Y359-H460 AromaticContact CE2-CD2 3.58Å; Y359-H460 AromaticContact CE2-CE1 3.85Å; Y359-H460 AromaticContact CE2-NE2 3.34Å; Y359-H460 VanDerWaalsContact CE2-NE2 3.34Å; Y359-H460 WeakPolarHBondContact CE2-NE2 3.47Å; Y359-H460 AromaticContact CZ-NE2 3.88Å; Y359-L463 HydrophobicContact CD2-CB 4.39Å; Y359-K464 HydrophobicContact CD2-CB 4.29Å; Y359-K464 HydrophobicContact CE2-CB 3.68Å; Y359-K464 HydrophobicContact CE2-CD 4.43Å; Y359-K464 HydrophobicContact CE2-CG 3.9Å; Y359-L467 HydrophobicContact CG-CD1 4.1Å
360	H	94.1	Very high	93.8	Very high	97 Å²	97	81 Å²	81	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-65.2	-35.4	178.4	-68.9	-54.4	0	0	0	113	L356 M357 Q363 S364	L356-H360 PolarHBondContact O-CD2 3.5Å; L356-H360 PolarHBondContact O-N 3.25Å; L356-H360 VanDerWaalsContact O-N 3.15Å; M357-H360 PolarHBondContact O-N 3.31Å; H360-Q363 PolarHBondContact ND1-OE1 3.12Å; H360-Q363 PolarHBondContact O-N 2.77Å; H360-S364 WeakPolarHBondContact O-CB 3.39Å; H360-S364 PolarHBondContact O-N 2.83Å
361	Q	95.5	Very high	94.6	Very high	139 Å²	139	81 Å²	81	65%	0.65	41%	0.405	S	S	*	.	H	α-helix	trans	-61.9	-43.2	173.3	-170.3	-173.4	42.1	0	0	111.9	M357 R358 Y359 R365	M357-Q361 WeakPolarHBondContact O-CB 3.4Å; M357-Q361 PolarHBondContact O-N 2.98Å; R358-Q361 PolarHBondContact O-N 3.16Å; Y359-Q361 VanDerWaalsContact C-N 3.34Å; Y359-Q361 PolarHBondContact O-N 3.44Å; Q361-R365 WeakPolarHBondContact O-CB 3.24Å; Q361-R365 PolarHBondContact O-N 3.17Å; Q361-R365 VanDerWaalsContact O-N 3.14Å
362	L	96.6	Very high	95	Very high	18 Å²	18	82.4 Å²	82.4	9%	0.094	41%	0.407	C	S	.	.	H	α-helix	trans	-66.6	-42.7	174.6	-72.1	169.7	0	0	0	111.7	R358 Y359 R365 L366 L456 K459 H460 L463	R358-L362 HydrophobicContact CG-CD1 4.39Å; R358-L362 WeakPolarHBondContact O-CB 3.31Å; R358-L362 VanDerWaalsContact O-CG 3.28Å; R358-L362 WeakPolarHBondContact O-CG 3.47Å; R358-L362 PolarHBondContact O-N 3.01Å; Y359-L362 PolarHBondContact O-N 3.07Å; L362-R365 PolarHBondContact O-N 3.08Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.5Å; L362-L366 WeakPolarHBondContact O-CD1 3.37Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.37Å; L362-L456 HydrophobicContact CD2-CB 4.31Å; L362-L456 HydrophobicContact CD2-CD2 3.69Å; L362-L456 HydrophobicContact CD2-CG 4.49Å; L362-K459 HydrophobicContact CD1-CB 4.12Å; L362-H460 HydrophobicContact CB-CB 4.19Å; L362-L463 HydrophobicContact CD1-CD1 3.96Å
363	Q	95.6	Very high	95.3	Very high	84 Å²	84	80.3 Å²	80.3	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-59.1	-48.3	179.6	-171.7	-175.9	7.4	0	0	111.5	Y359 H360 L366 A367	Y359-Q363 WeakPolarHBondContact O-CB 3.44Å; Y359-Q363 PolarHBondContact O-N 3.4Å; H360-Q363 PolarHBondContact ND1-OE1 3.12Å; H360-Q363 PolarHBondContact O-N 2.77Å; Q363-L366 PolarHBondContact O-N 3.37Å; Q363-A367 PolarHBondContact O-N 2.97Å
364	S	96.2	Very high	95.8	Very high	82 Å²	82	79.4 Å²	79.4	57%	0.573	39%	0.388	S	S	*	.	H	α-helix	trans	-61.4	-50.9	175.9	176.1	0	0	0	0	111.6	H360 L366 A367 T368	H360-S364 WeakPolarHBondContact O-CB 3.39Å; H360-S364 PolarHBondContact O-N 2.83Å; S364-L366 VanDerWaalsContact C-N 3.3Å; S364-L366 PolarHBondContact O-N 2.96Å; S364-A367 WeakPolarHBondContact O-CB 3.42Å; S364-A367 PolarHBondContact O-N 3.43Å; S364-A367 VanDerWaalsContact O-N 3.1Å; S364-T368 PolarHBondContact O-N 3.06Å
365	R	97.1	Very high	96.1	Very high	146 Å²	146	78.4 Å²	78.4	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-63.3	-34.3	-179.4	-172.6	172	-177	158.8	4.1	113.2	Q361 L362 L369 L456	Q361-R365 WeakPolarHBondContact O-CB 3.24Å; Q361-R365 PolarHBondContact O-N 3.17Å; Q361-R365 VanDerWaalsContact O-N 3.14Å; L362-R365 PolarHBondContact O-N 3.08Å; R365-L369 HydrophobicContact CG-CD1 3.87Å; R365-L369 HydrophobicContact CG-CG 4.37Å; R365-L369 WeakPolarHBondContact O-CB 3.42Å; R365-L369 WeakPolarHBondContact O-CG 3.38Å; R365-L369 PolarHBondContact O-N 3.06Å; R365-L369 VanDerWaalsContact O-N 3.13Å; R365-L456 HydrophobicContact CG-CD1 4.3Å
366	L	97.8	Very high	96.3	Very high	4 Å²	4	78.1 Å²	78.1	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-68.5	-33.1	175.1	-82.8	164.6	0	0	0	112.8	L362 Q363 S364 K370 I453 L456 Q457 H460	L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.5Å; L362-L366 WeakPolarHBondContact O-CD1 3.37Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.37Å; Q363-L366 PolarHBondContact O-N 3.37Å; S364-L366 VanDerWaalsContact C-N 3.3Å; S364-L366 PolarHBondContact O-N 2.96Å; L366-K370 WeakPolarHBondContact O-CB 3.43Å; L366-K370 WeakPolarHBondContact O-CG 3.32Å; L366-K370 PolarHBondContact O-N 3.41Å; L366-I453 HydrophobicContact CD2-CG2 4.07Å; L366-L456 HydrophobicContact CD1-CB 4.43Å; L366-L456 HydrophobicContact CD2-CB 3.82Å; L366-L456 HydrophobicContact CG-CB 4.07Å; L366-Q457 HydrophobicContact CD1-CB 4.48Å; L366-Q457 HydrophobicContact CD2-CB 4.11Å; L366-H460 HydrophobicContact CD1-CB 3.51Å
367	A	96.6	Very high	96.6	Very high	56 Å²	56	78.1 Å²	78.1	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-47.5	176.7	0	0	0	0	0	111.1	Q363 S364 I371	Q363-A367 PolarHBondContact O-N 2.97Å; S364-A367 WeakPolarHBondContact O-CB 3.42Å; S364-A367 PolarHBondContact O-N 3.43Å; S364-A367 VanDerWaalsContact O-N 3.1Å; A367-I371 WeakPolarHBondContact O-CG1 3.47Å
368	T	97.1	Very high	96.8	Very high	73 Å²	73	76.8 Å²	76.8	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-55.1	177.5	-48.2	0	0	0	0	112	S364 K370 I371 E372	S364-T368 PolarHBondContact O-N 3.06Å; T368-K370 PolarHBondContact O-N 3.05Å; T368-K370 VanDerWaalsContact O-N 3.15Å; T368-I371 PolarHBondContact O-N 3.21Å; T368-E372 HydrophobicContact CG2-CG 4.5Å; T368-E372 WeakPolarHBondContact CG2-OE1 3.4Å; T368-E372 PolarHBondContact O-N 2.88Å; T368-E372 VanDerWaalsContact O-N 3.17Å
369	L	97.4	Very high	96.9	Very high	24 Å²	24	72.2 Å²	72.2	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-58	-33.8	-176.5	-74.1	169.6	0	0	0	113	R365 N373 L452 I453 L456	R365-L369 HydrophobicContact CG-CD1 3.87Å; R365-L369 HydrophobicContact CG-CG 4.37Å; R365-L369 WeakPolarHBondContact O-CB 3.42Å; R365-L369 WeakPolarHBondContact O-CG 3.38Å; R365-L369 PolarHBondContact O-N 3.06Å; R365-L369 VanDerWaalsContact O-N 3.13Å; L369-N373 VanDerWaalsContact O-CB 3.24Å; L369-N373 WeakPolarHBondContact O-CB 3.45Å; L369-N373 PolarHBondContact O-N 2.97Å; L369-L452 HydrophobicContact CD1-CD2 3.85Å; L369-L452 HydrophobicContact CD1-CG 4.03Å; L369-L452 HydrophobicContact CD2-CD2 3.98Å; L369-I453 HydrophobicContact CB-CD1 4.36Å; L369-I453 HydrophobicContact CB-CG1 3.85Å; L369-L456 HydrophobicContact CD1-CD1 3.6Å
370	K	97.8	Very high	97.1	Very high	98 Å²	98	71.1 Å²	71.1	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-68.4	-32.7	177.7	-78.8	177.1	-177	-177.5	0	113.2	L366 T368 E374 I453 Q457	L366-K370 WeakPolarHBondContact O-CB 3.43Å; L366-K370 WeakPolarHBondContact O-CG 3.32Å; L366-K370 PolarHBondContact O-N 3.41Å; T368-K370 PolarHBondContact O-N 3.05Å; T368-K370 VanDerWaalsContact O-N 3.15Å; K370-E374 WeakPolarHBondContact O-CB 3.47Å; K370-E374 PolarHBondContact O-N 3.15Å; K370-I453 HydrophobicContact CG-CD1 4.16Å; K370-I453 HydrophobicContact CG-CG1 4.44Å; K370-I453 HydrophobicContact CG-CG2 4.05Å; K370-Q457 VanDerWaalsContact CE-OE1 3.25Å
371	I	97.3	Very high	97.3	Very high	104 Å²	104	69.3 Å²	69.3	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-71.9	-50.9	176.3	-63.3	166.7	0	0	0	108.9	A367 T368 N373 E374 E375	A367-I371 WeakPolarHBondContact O-CG1 3.47Å; T368-I371 PolarHBondContact O-N 3.21Å; I371-N373 VanDerWaalsContact C-N 3.33Å; I371-N373 PolarHBondContact O-N 3.22Å; I371-E374 PolarHBondContact O-N 3.29Å; I371-E374 VanDerWaalsContact O-N 3.16Å; I371-E375 PolarHBondContact O-N 3.38Å
372	E	97	Very high	97.4	Very high	98 Å²	98	65.4 Å²	65.4	46%	0.458	34%	0.337	S	S	.	.	H	α-helix	trans	-54	-47.4	177.2	-64.3	169.4	168.4	0	0	111.8	T368 E374 E375 V376	T368-E372 HydrophobicContact CG2-CG 4.5Å; T368-E372 WeakPolarHBondContact CG2-OE1 3.4Å; T368-E372 PolarHBondContact O-N 2.88Å; T368-E372 VanDerWaalsContact O-N 3.17Å; E372-E374 PolarHBondContact O-N 3.02Å; E372-E375 PolarHBondContact O-N 2.69Å; E372-V376 WeakPolarHBondContact O-CG2 3.38Å; E372-V376 PolarHBondContact O-N 3.28Å; E372-V376 VanDerWaalsContact O-N 3.1Å
373	N	97.8	Very high	97.5	Very high	19 Å²	19	65.1 Å²	65.1	10%	0.102	34%	0.336	C	S	.	.	H	α-helix	trans	-72.4	-28.8	-178.3	-169	-123	0	0	0	113.5	L369 I371 R377 Y446 S450 I453	L369-N373 VanDerWaalsContact O-CB 3.24Å; L369-N373 WeakPolarHBondContact O-CB 3.45Å; L369-N373 PolarHBondContact O-N 2.97Å; I371-N373 VanDerWaalsContact C-N 3.33Å; I371-N373 PolarHBondContact O-N 3.22Å; N373-R377 WeakPolarHBondContact O-CB 3.35Å; N373-R377 PolarHBondContact O-N 2.88Å; N373-Y446 PolarHBondContact ND2-O 3.13Å; N373-S450 PolarHBondContact ND2-N 3.09Å; N373-I453 HydrophobicContact CB-CD1 3.53Å
374	E	97.8	Very high	97.6	Very high	66 Å²	66	65.2 Å²	65.2	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-73.2	-32	174	168.5	62.5	-171	0	0	112.2	K370 I371 E372 R377 K378	K370-E374 WeakPolarHBondContact O-CB 3.47Å; K370-E374 PolarHBondContact O-N 3.15Å; I371-E374 PolarHBondContact O-N 3.29Å; I371-E374 VanDerWaalsContact O-N 3.16Å; E372-E374 PolarHBondContact O-N 3.02Å; E374-R377 IonicContact OE1-CZ 2.75Å; E374-R377 IonicContact OE1-NH2 3.8Å; E374-R377 PolarHBondContact OE1-NH2 3.36Å; E374-R377 IonicContact OE2-CZ 2.72Å; E374-R377 VanDerWaalsContact OE2-CZ 3.25Å; E374-R377 IonicContact OE2-NE 2.68Å; E374-R377 PolarHBondContact OE2-NE 2.94Å; E374-R377 IonicContact OE2-NH2 3.7Å; E374-R377 PolarHBondContact OE2-NH2 2.76Å; E374-K378 WeakPolarHBondContact O-CG 3.46Å; E374-K378 PolarHBondContact O-N 3.06Å; E374-K378 VanDerWaalsContact O-N 3.12Å; E374-K378 WeakPolarHBondContact OE1-CE 3.43Å; E374-K378 IonicContact OE1-NZ 3.84Å; E374-K378 PolarHBondContact OE1-NZ 3.13Å
375	E	97.6	Very high	97.6	Very high	117 Å²	117	66 Å²	66	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-68.2	-47.2	170.6	-71.3	174.6	175	0	0	111	I371 E372 R377 K378 T379	I371-E375 PolarHBondContact O-N 3.38Å; E372-E375 PolarHBondContact O-N 2.69Å; E375-R377 VanDerWaalsContact C-N 3.28Å; E375-R377 PolarHBondContact O-N 2.94Å; E375-K378 PolarHBondContact O-N 2.77Å; E375-K378 VanDerWaalsContact O-N 3.14Å; E375-T379 PolarHBondContact O-N 2.98Å; E375-T379 VanDerWaalsContact O-N 3.08Å; E375-T379 PolarHBondContact O-OG1 2.79Å
376	V	98.1	Very high	97.6	Very high	16 Å²	16	62.4 Å²	62.4	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-40.1	173.8	176.5	0	0	0	0	111.5	E372 T379 L380 K442 E445	E372-V376 WeakPolarHBondContact O-CG2 3.38Å; E372-V376 PolarHBondContact O-N 3.28Å; E372-V376 VanDerWaalsContact O-N 3.1Å; V376-T379 PolarHBondContact O-N 3.09Å; V376-L380 WeakPolarHBondContact O-CB 3.37Å; V376-L380 PolarHBondContact O-N 2.82Å; V376-K442 HydrophobicContact CG1-CD 4.1Å; V376-E445 HydrophobicContact CG1-CB 3.93Å; V376-E445 HydrophobicContact CG1-CG 3.89Å; V376-E445 HydrophobicContact CG2-CG 4.05Å; V376-E445 WeakPolarHBondContact CG2-OE1 3.35Å
377	R	97.9	Very high	97.5	Very high	81 Å²	81	63 Å²	63	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-44.1	175	-170.3	-170.9	63.1	82.7	-5.1	111.9	N373 E374 E375 T379 L380 D381 Y446	N373-R377 WeakPolarHBondContact O-CB 3.35Å; N373-R377 PolarHBondContact O-N 2.88Å; E374-R377 IonicContact OE1-CZ 2.75Å; E374-R377 IonicContact OE1-NH2 3.8Å; E374-R377 PolarHBondContact OE1-NH2 3.36Å; E374-R377 IonicContact OE2-CZ 2.72Å; E374-R377 VanDerWaalsContact OE2-CZ 3.25Å; E374-R377 IonicContact OE2-NE 2.68Å; E374-R377 PolarHBondContact OE2-NE 2.94Å; E374-R377 IonicContact OE2-NH2 3.7Å; E374-R377 PolarHBondContact OE2-NH2 2.76Å; E375-R377 VanDerWaalsContact C-N 3.28Å; E375-R377 PolarHBondContact O-N 2.94Å; R377-T379 VanDerWaalsContact C-N 3.34Å; R377-T379 PolarHBondContact O-N 2.98Å; R377-L380 WeakPolarHBondContact O-CB 3Å; R377-L380 PolarHBondContact O-N 3Å; R377-D381 IonicContact CZ-OD2 3.68Å; R377-D381 IonicContact NH1-OD2 2.74Å; R377-D381 PolarHBondContact NH1-OD2 2.98Å; R377-D381 VanDerWaalsContact O-CG 3.23Å; R377-D381 PolarHBondContact O-N 3.39Å; R377-Y446 HydrophobicContact CB-CD2 3.87Å; R377-Y446 HydrophobicContact CB-CE2 3.89Å; R377-Y446 HydrophobicContact CG-CD2 4.27Å; R377-Y446 HydrophobicContact CG-CE2 3.95Å
378	K	98.2	Very high	97.4	Very high	112 Å²	112	65.2 Å²	65.2	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176.4	-74.3	164.2	180	143.7	0	112.5	E374 E375 A382	E374-K378 WeakPolarHBondContact O-CG 3.46Å; E374-K378 PolarHBondContact O-N 3.06Å; E374-K378 VanDerWaalsContact O-N 3.12Å; E374-K378 WeakPolarHBondContact OE1-CE 3.43Å; E374-K378 IonicContact OE1-NZ 3.84Å; E374-K378 PolarHBondContact OE1-NZ 3.13Å; E375-K378 PolarHBondContact O-N 2.77Å; E375-K378 VanDerWaalsContact O-N 3.14Å; K378-A382 WeakPolarHBondContact O-CB 3.48Å; K378-A382 PolarHBondContact O-N 2.91Å
379	T	97.9	Very high	97.3	Very high	51 Å²	51	66.1 Å²	66.1	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-42.4	173.3	-50.9	0	0	0	0	111.5	E375 V376 R377 T383 F438 K442	E375-T379 PolarHBondContact O-N 2.98Å; E375-T379 VanDerWaalsContact O-N 3.08Å; E375-T379 PolarHBondContact O-OG1 2.79Å; V376-T379 PolarHBondContact O-N 3.09Å; R377-T379 VanDerWaalsContact C-N 3.34Å; R377-T379 PolarHBondContact O-N 2.98Å; T379-T383 WeakPolarHBondContact O-CB 3.34Å; T379-T383 PolarHBondContact O-N 3.38Å; T379-T383 PolarHBondContact O-OG1 3.26Å; T379-F438 HydrophobicContact CG2-CE1 3.66Å; T379-F438 HydrophobicContact CG2-CZ 3.74Å; T379-K442 HydrophobicContact CG2-CD 3.92Å; T379-K442 HydrophobicContact CG2-CG 4.05Å
380	L	98.1	Very high	97.1	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-51	176.9	176.6	65.8	0	0	0	111.8	V376 R377 A382 T383 M384 Y439 K442 F443 Y446	V376-L380 WeakPolarHBondContact O-CB 3.37Å; V376-L380 PolarHBondContact O-N 2.82Å; R377-L380 WeakPolarHBondContact O-CB 3Å; R377-L380 PolarHBondContact O-N 3Å; L380-A382 PolarHBondContact O-N 2.86Å; L380-T383 PolarHBondContact O-N 3.38Å; L380-M384 WeakPolarHBondContact O-CB 3.41Å; L380-M384 PolarHBondContact O-N 2.91Å; L380-Y439 HydrophobicContact CD1-CD2 3.49Å; L380-Y439 VanDerWaalsContact CD1-CD2 3.49Å; L380-Y439 HydrophobicContact CD1-CE2 3.39Å; L380-Y439 HydrophobicContact CD1-CG 4.19Å; L380-Y439 HydrophobicContact CG-CE2 4.25Å; L380-K442 HydrophobicContact CB-CB 4.34Å; L380-K442 HydrophobicContact CD1-CB 4.28Å; L380-F443 HydrophobicContact CD1-CB 3.88Å; L380-F443 HydrophobicContact CD2-CD2 4.11Å; L380-Y446 HydrophobicContact CD2-CD1 4.02Å; L380-Y446 HydrophobicContact CD2-CG 4.12Å
381	D	97.9	Very high	96.8	Very high	59 Å²	59	67.6 Å²	67.6	32%	0.316	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-41.1	-179.1	-64.1	-26.8	0	0	0	111.7	R377 M384 Q385	R377-D381 IonicContact CZ-OD2 3.68Å; R377-D381 IonicContact NH1-OD2 2.74Å; R377-D381 PolarHBondContact NH1-OD2 2.98Å; R377-D381 VanDerWaalsContact O-CG 3.23Å; R377-D381 PolarHBondContact O-N 3.39Å; D381-M384 WeakPolarHBondContact O-CB 3.46Å; D381-M384 PolarHBondContact O-N 2.91Å; D381-Q385 PolarHBondContact O-N 3.04Å
382	A	98	Very high	96.6	Very high	57 Å²	57	67.1 Å²	67.1	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-64.7	-41.9	175.1	0	0	0	0	0	112.2	K378 L380 M384 Q385 T386	K378-A382 WeakPolarHBondContact O-CB 3.48Å; K378-A382 PolarHBondContact O-N 2.91Å; L380-A382 PolarHBondContact O-N 2.86Å; A382-M384 VanDerWaalsContact C-N 3.31Å; A382-M384 PolarHBondContact O-N 3.39Å; A382-Q385 PolarHBondContact O-N 3.04Å; A382-T386 PolarHBondContact O-N 3.38Å; A382-T386 VanDerWaalsContact O-N 3.09Å; A382-T386 PolarHBondContact O-OG1 3.28Å
383	T	97.8	Very high	96.3	Very high	12 Å²	12	65.1 Å²	65.1	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-37.9	175.7	-49.8	0	0	0	0	111	T379 L380 T386 L387 T435 F438	T379-T383 WeakPolarHBondContact O-CB 3.34Å; T379-T383 PolarHBondContact O-N 3.38Å; T379-T383 PolarHBondContact O-OG1 3.26Å; L380-T383 PolarHBondContact O-N 3.38Å; T383-T386 PolarHBondContact O-N 3.35Å; T383-L387 WeakPolarHBondContact O-CG 3.49Å; T383-L387 PolarHBondContact O-N 3.29Å; T383-T435 HydrophobicContact CG2-CG2 3.73Å; T383-F438 HydrophobicContact CG2-CD1 3.85Å
384	M	97.5	Very high	95.9	Very high	86 Å²	86	72.2 Å²	72.2	42%	0.424	37%	0.372	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.4	-165.8	172.5	64.4	0	0	111.9	L380 D381 A382 L387 Q388 Y439	L380-M384 WeakPolarHBondContact O-CB 3.41Å; L380-M384 PolarHBondContact O-N 2.91Å; D381-M384 WeakPolarHBondContact O-CB 3.46Å; D381-M384 PolarHBondContact O-N 2.91Å; A382-M384 VanDerWaalsContact C-N 3.31Å; A382-M384 PolarHBondContact O-N 3.39Å; M384-L387 PolarHBondContact O-N 3.48Å; M384-Q388 PolarHBondContact O-N 2.89Å; M384-Y439 HydrophobicContact CB-CD2 4.16Å; M384-Y439 HydrophobicContact CB-CE2 3.8Å; M384-Y439 HydrophobicContact CG-CE2 3.89Å; M384-Y439 HydrophobicContact SD-CE2 4.17Å
385	Q	97.4	Very high	95.4	Very high	99 Å²	99	72.3 Å²	72.3	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-48.1	173.7	-171.8	64.5	61	0	0	110.9	D381 A382 L387 Q388 D389	D381-Q385 PolarHBondContact O-N 3.04Å; A382-Q385 PolarHBondContact O-N 3.04Å; Q385-L387 VanDerWaalsContact C-N 3.27Å; Q385-L387 PolarHBondContact O-N 2.85Å; Q385-Q388 WeakPolarHBondContact O-CA 3.22Å; Q385-Q388 WeakPolarHBondContact O-CB 3.32Å; Q385-Q388 PolarHBondContact O-N 3.05Å; Q385-D389 PolarHBondContact NE2-OD1 3.27Å; Q385-D389 PolarHBondContact O-N 3.02Å
386	T	96.6	Very high	94.9	Very high	69 Å²	69	74.4 Å²	74.4	42%	0.423	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-34.1	177.6	-54.3	0	0	0	0	113	A382 T383 M390	A382-T386 PolarHBondContact O-N 3.38Å; A382-T386 VanDerWaalsContact O-N 3.09Å; A382-T386 PolarHBondContact O-OG1 3.28Å; T383-T386 PolarHBondContact O-N 3.35Å; T386-M390 HydrophobicContact CG2-CE 4.37Å; T386-M390 WeakPolarHBondContact O-CG 3.1Å; T386-M390 PolarHBondContact O-N 2.95Å
387	L	96.2	Very high	94.5	Very high	16 Å²	16	79.3 Å²	79.3	8%	0.084	41%	0.408	C	S	.	.	H	α-helix	trans	-66.4	-44.1	170.9	-75	172.2	0	0	0	111.9	T383 M384 Q385 M390 L391 T435 E436 Y439	T383-L387 WeakPolarHBondContact O-CG 3.49Å; T383-L387 PolarHBondContact O-N 3.29Å; M384-L387 PolarHBondContact O-N 3.48Å; Q385-L387 VanDerWaalsContact C-N 3.27Å; Q385-L387 PolarHBondContact O-N 2.85Å; L387-M390 HydrophobicContact CD2-CE 3.95Å; L387-M390 PolarHBondContact O-N 3.37Å; L387-L391 WeakPolarHBondContact O-CB 3.42Å; L387-L391 WeakPolarHBondContact O-CD1 3.32Å; L387-L391 VanDerWaalsContact O-CG 3.24Å; L387-L391 WeakPolarHBondContact O-CG 3.2Å; L387-L391 PolarHBondContact O-N 3.3Å; L387-T435 HydrophobicContact CD2-CG2 3.67Å; L387-T435 HydrophobicContact CG-CG2 3.79Å; L387-E436 HydrophobicContact CD2-CG 3.68Å; L387-Y439 HydrophobicContact CD1-CD1 4.4Å; L387-Y439 HydrophobicContact CD1-CD2 4.05Å; L387-Y439 HydrophobicContact CD1-CG 3.76Å
388	Q	95.3	Very high	94	Very high	103 Å²	103	79.9 Å²	79.9	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-46.9	177.2	-171.3	168.2	-2.2	0	0	111.2	M384 Q385 M390 L391 T392	M384-Q388 PolarHBondContact O-N 2.89Å; Q385-Q388 WeakPolarHBondContact O-CA 3.22Å; Q385-Q388 WeakPolarHBondContact O-CB 3.32Å; Q385-Q388 PolarHBondContact O-N 3.05Å; Q388-M390 PolarHBondContact O-N 3.06Å; Q388-L391 PolarHBondContact O-N 3.05Å; Q388-T392 HydrophobicContact CG-CG2 4.08Å; Q388-T392 PolarHBondContact O-N 3.43Å; Q388-T392 PolarHBondContact O-OG1 2.92Å
389	D	94.7	Very high	93.5	Very high	92 Å²	92	77.8 Å²	77.8	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-58.8	-31	177.3	-57	-21.3	0	0	0	112.6	Q385	Q385-D389 PolarHBondContact NE2-OD1 3.27Å; Q385-D389 PolarHBondContact O-N 3.02Å
390	M	93.5	Very high	92.8	Very high	46 Å²	46	80.1 Å²	80.1	23%	0.227	43%	0.431	C	S	.	.	H	α-helix	trans	-82.1	-22.7	174.6	-73.9	-169.7	-62.3	0	0	114	T386 L387 Q388 N431 Q432 T435	T386-M390 HydrophobicContact CG2-CE 4.37Å; T386-M390 WeakPolarHBondContact O-CG 3.1Å; T386-M390 PolarHBondContact O-N 2.95Å; L387-M390 HydrophobicContact CD2-CE 3.95Å; L387-M390 PolarHBondContact O-N 3.37Å; Q388-M390 PolarHBondContact O-N 3.06Å; M390-N431 PolarHBondContact SD-ND2 3.29Å; M390-Q432 HydrophobicContact CE-CB 4.43Å; M390-T435 HydrophobicContact CE-CG2 3.98Å
391	L	90.7	Very high	91.9	Very high	108 Å²	108	83.1 Å²	83.1	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-93.8	-29	-177.5	-73.8	169	0	0	0	113	L387 Q388 V393	L387-L391 WeakPolarHBondContact O-CB 3.42Å; L387-L391 WeakPolarHBondContact O-CD1 3.32Å; L387-L391 VanDerWaalsContact O-CG 3.24Å; L387-L391 WeakPolarHBondContact O-CG 3.2Å; L387-L391 PolarHBondContact O-N 3.3Å; Q388-L391 PolarHBondContact O-N 3.05Å; L391-V393 VanDerWaalsContact C-N 3.32Å; L391-V393 PolarHBondContact O-N 3.43Å
392	T	92.3	Very high	91.1	Very high	94 Å²	94	87.3 Å²	87.3	58%	0.577	47%	0.472	S	S	*	.	S	Bend	trans	-96.8	41.6	178.5	65.9	0	0	0	0	112	Q388	Q388-T392 HydrophobicContact CG-CG2 4.08Å; Q388-T392 PolarHBondContact O-N 3.43Å; Q388-T392 PolarHBondContact O-OG1 2.92Å
393	V	91.6	Very high	90.4	Very high	55 Å²	55	91 Å²	91	33%	0.333	48%	0.48	S	S	.	.			trans	-82.7	132.3	173.4	59.9	0	0	0	0	109.9	L391 D395	L391-V393 VanDerWaalsContact C-N 3.32Å; L391-V393 PolarHBondContact O-N 3.43Å; V393-D395 VanDerWaalsContact C-N 3.26Å; V393-D395 HydrophobicContact CG2-CB 4.45Å; V393-D395 PolarHBondContact O-N 3.22Å
394	E	89.9	Confident	89.1	Confident	168 Å²	168	98.2 Å²	98.2	79%	0.785	51%	0.512	S	S	*	.			trans	-82	65.2	-179.3	-60.9	176.2	152	0	0	110.8	F396	E394-F396 HydrophobicContact CB-CE1 3.89Å; E394-F396 HydrophobicContact CB-CZ 4.35Å; E394-F396 HydrophobicContact CG-CE1 4.04Å; E394-F396 HydrophobicContact CG-CZ 4.46Å
395	D	86.5	Confident	87.3	Confident	68 Å²	68	99.1 Å²	99.1	36%	0.364	53%	0.527	S	S	.	.			trans	-102.2	28.3	178.1	66.4	7.3	0	0	0	114.8	V393 Y419 M420 R428	V393-D395 VanDerWaalsContact C-N 3.26Å; V393-D395 HydrophobicContact CG2-CB 4.45Å; V393-D395 PolarHBondContact O-N 3.22Å; D395-Y419 HydrophobicContact CB-CE1 4.11Å; D395-M420 HydrophobicContact CB-CE 4.08Å; D395-R428 IonicContact OD2-NH1 2.68Å; D395-R428 PolarHBondContact OD2-NH1 2.88Å
396	F	86.8	Confident	85.3	Confident	161 Å²	161	106.8 Å²	106.8	71%	0.706	55%	0.552	S	S	*	*			trans	-97.7	-12.6	178.7	58.1	-100.4	0	0	0	115.7	E394 V398	E394-F396 HydrophobicContact CB-CE1 3.89Å; E394-F396 HydrophobicContact CB-CZ 4.35Å; E394-F396 HydrophobicContact CG-CE1 4.04Å; E394-F396 HydrophobicContact CG-CZ 4.46Å; F396-V398 PolarHBondContact O-N 3.25Å
397	D	89.2	Confident	83.2	Confident	120 Å²	120	107.1 Å²	107.1	64%	0.642	56%	0.557	S	S	*	*			trans	-70.2	126.4	173.1	-176	10.2	0	0	0	110.5	S399	D397-S399 VanDerWaalsContact OD1-CB 3.24Å; D397-S399 WeakPolarHBondContact OD1-CB 3.38Å; D397-S399 PolarHBondContact OD1-N 3.37Å; D397-S399 PolarHBondContact OD1-OG 3.48Å
398	V	88.3	Confident	81	Confident	92 Å²	92	113.8 Å²	113.8	56%	0.558	60%	0.599	S	S	*	*			trans	-120.3	15	-178.7	-65	0	0	0	0	112.6	F396 D400 A401 F402	F396-V398 PolarHBondContact O-N 3.25Å; V398-D400 PolarHBondContact O-N 3Å; V398-D400 VanDerWaalsContact O-N 3.17Å; V398-A401 VanDerWaalsContact O-CB 3.24Å; V398-A401 WeakPolarHBondContact O-CB 3.45Å; V398-A401 PolarHBondContact O-N 3.45Å; V398-F402 HydrophobicContact CG2-CE2 4.14Å
399	S	87.8	Confident	78.6	Confident	69 Å²	69	116.6 Å²	116.6	48%	0.483	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-53.3	-37.2	-178	-63.7	0	0	0	0	113.4	D397 A401 F402	D397-S399 VanDerWaalsContact OD1-CB 3.24Å; D397-S399 WeakPolarHBondContact OD1-CB 3.38Å; D397-S399 PolarHBondContact OD1-N 3.37Å; D397-S399 PolarHBondContact OD1-OG 3.48Å; S399-A401 PolarHBondContact O-N 2.89Å; S399-F402 PolarHBondContact O-N 3.17Å; S399-F402 VanDerWaalsContact O-N 3.1Å
400	D	82.3	Confident	76.2	Confident	99 Å²	99	116.1 Å²	116.1	53%	0.529	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-59.5	-29.1	174.9	-80.1	-9	0	0	0	113.4	V398 F402 Q403 A415	V398-D400 PolarHBondContact O-N 3Å; V398-D400 VanDerWaalsContact O-N 3.17Å; D400-F402 PolarHBondContact O-N 2.8Å; D400-Q403 PolarHBondContact O-N 3.3Å; D400-Q403 PolarHBondContact OD1-NE2 3.01Å; D400-A415 HydrophobicContact CB-CB 4.32Å
401	A	79.6	Confident	74	Confident	72 Å²	72	121.3 Å²	121.3	60%	0.595	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-69	-20.6	177.7	0	0	0	0	0	113	V398 S399	V398-A401 VanDerWaalsContact O-CB 3.24Å; V398-A401 WeakPolarHBondContact O-CB 3.45Å; V398-A401 PolarHBondContact O-N 3.45Å; S399-A401 PolarHBondContact O-N 2.89Å
402	F	81.2	Confident	71.9	Confident	147 Å²	147	124.2 Å²	124.2	65%	0.645	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-99.4	4.6	179	-63.5	-86.8	0	0	0	113.2	V398 S399 D400 H404	V398-F402 HydrophobicContact CG2-CE2 4.14Å; S399-F402 PolarHBondContact O-N 3.17Å; S399-F402 VanDerWaalsContact O-N 3.1Å; D400-F402 PolarHBondContact O-N 2.8Å; F402-H404 PolarHBondContact O-N 2.79Å; F402-H404 PolarHBondContact O-ND1 3.41Å
403	Q	83.4	Confident	69.9	Low	135 Å²	135	124.1 Å²	124.1	63%	0.631	66%	0.661	S	S	*	*			trans	-75.3	83.6	176.7	-69.5	-177.2	21.4	0	0	112.3	D400 S405	D400-Q403 PolarHBondContact O-N 3.3Å; D400-Q403 PolarHBondContact OD1-NE2 3.01Å; Q403-S405 PolarHBondContact O-N 3.47Å
404	H	70.9	Confident	67.7	Low	163 Å²	163	126.2 Å²	126.2	76%	0.755	68%	0.684	S	S	*	*			trans	-69.4	99.7	175.4	-67.1	76.7	0	0	0	110.8	F402 R406	F402-H404 PolarHBondContact O-N 2.79Å; F402-H404 PolarHBondContact O-ND1 3.41Å; H404-R406 PolarHBondContact O-N 3.01Å
405	S	59.5	Low	65.7	Low	105 Å²	105	120.9 Å²	120.9	73%	0.734	67%	0.669	S	S	*	*			trans	-57.8	131.7	172.8	-78.7	0	0	0	0	110.9	Q403 S407	Q403-S405 PolarHBondContact O-N 3.47Å; S405-S407 PolarHBondContact O-N 2.97Å
406	R	54.3	Low	63.9	Low	260 Å²	260	121.4 Å²	121.4	98%	0.981	68%	0.678	S	S	*	*	S	Bend	trans	-69.4	12	-176.7	-68.2	-173.5	176.7	-177.7	0.2	115.4	H404	H404-R406 PolarHBondContact O-N 3.01Å
407	S	52.6	Low	62.1	Low	76 Å²	76	121.2 Å²	121.2	53%	0.531	68%	0.679	S	S	.	*	S	Bend	trans	-94.8	134	172.7	-169.7	0	0	0	0	109.8	S405 E409	S405-S407 PolarHBondContact O-N 2.97Å; S407-E409 PolarHBondContact O-N 3.42Å
408	T	50.2	Low	60.4	Low	157 Å²	157	121.7 Å²	121.7	96%	0.963	69%	0.686	S	S	*	*	S	Bend	trans	-77.7	27.9	177.1	56.2	0	0	0	0	112.9
409	E	44.4	Very low	58.6	Low	161 Å²	161	123.2 Å²	123.2	75%	0.752	68%	0.683	S	S	*	*	S	Bend	trans	-123.5	107.4	-169.5	-167.5	167.7	-138.2	0	0	110.6	S407	S407-E409 PolarHBondContact O-N 3.42Å
410	S	45.7	Very low	57.1	Low	82 Å²	82	124.1 Å²	124.1	57%	0.573	68%	0.681	S	S	*	*			trans	57.1	96.3	169.1	-178.8	0	0	0	0	117	K412	S410-K412 PolarHBondContact O-N 2.75Å; S410-K412 WeakPolarHBondContact OG-CB 3.49Å; S410-K412 WeakPolarHBondContact OG-CG 3.36Å
411	V	47	Very low	56.2	Low	156 Å²	156	121.5 Å²	121.5	95%	0.945	67%	0.67	S	S	*	*			trans	-69.7	74.2	163.4	-171.4	0	0	0	0	110.1
412	K	46.7	Very low	55.4	Low	168 Å²	168	126.9 Å²	126.9	73%	0.73	68%	0.68	S	S	*	*			trans	-131.4	93.6	175.3	-74.9	-172.3	173.7	-178.6	0	111.2	S410 A414	S410-K412 PolarHBondContact O-N 2.75Å; S410-K412 WeakPolarHBondContact OG-CB 3.49Å; S410-K412 WeakPolarHBondContact OG-CG 3.36Å; K412-A414 PolarHBondContact O-N 3.11Å; K412-A414 VanDerWaalsContact O-N 3.1Å
413	S	49.8	Very low	54.5	Low	92 Å²	92	126.2 Å²	126.2	64%	0.643	68%	0.682	S	S	*	*			trans	57.1	36.5	137.5	-45.3	0	0	0	0	118.4
414	A	45.5	Very low	54.1	Low	100 Å²	100	123.9 Å²	123.9	83%	0.826	67%	0.674	S	S	*	*	S	Bend	trans	-74.5	-23.6	176.8	0	0	0	0	0	114.5	K412	K412-A414 PolarHBondContact O-N 3.11Å; K412-A414 VanDerWaalsContact O-N 3.1Å
415	A	46.9	Very low	54.6	Low	56 Å²	56	119.8 Å²	119.8	46%	0.463	66%	0.657	S	S	.	*	S	Bend	trans	-86	-26.1	-169.8	0	0	0	0	0	115.2	D400	D400-A415 HydrophobicContact CB-CB 4.32Å
416	S	49	Very low	55.9	Low	78 Å²	78	117.7 Å²	117.7	55%	0.545	65%	0.646	S	S	.	*	S	Bend	trans	-101	-10	-159.1	-45.8	0	0	0	0	116.4
417	E	49.6	Very low	57.6	Low	157 Å²	157	113.1 Å²	113.1	73%	0.734	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-28.1	-162.5	-66.9	-159.5	129.3	0	0	115.4
418	T	54.1	Low	59.2	Low	130 Å²	130	114.2 Å²	114.2	80%	0.798	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-49.1	-167.6	-42.9	0	0	0	0	113.7
419	Y	50	Low	61.1	Low	125 Å²	125	114.4 Å²	114.4	49%	0.49	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-48.7	-175.6	-166.3	-92.6	0	0	0	111.8	D395 S421 R428	D395-Y419 HydrophobicContact CB-CE1 4.11Å; Y419-S421 PolarHBondContact O-N 2.94Å; Y419-R428 PolarHBondContact OH-NH2 3.27Å
420	M	56.4	Low	63.4	Low	87 Å²	87	109.3 Å²	109.3	43%	0.429	59%	0.594	S	S	.	*	S	Bend	trans	-93.3	29	-172.9	-67.6	-59	-171.2	0	0	114.6	D395 K422 I425	D395-M420 HydrophobicContact CB-CE 4.08Å; M420-K422 PolarHBondContact O-N 3.44Å; M420-I425 HydrophobicContact CB-CD1 4.21Å; M420-I425 WeakPolarHBondContact O-CD1 3.42Å; M420-I425 HydrophobicContact SD-CD1 4.03Å; M420-I425 HydrophobicContact SD-CG1 4.3Å
421	S	62.2	Low	65.8	Low	44 Å²	44	109.5 Å²	109.5	31%	0.308	59%	0.588	S	S	.	*			trans	-61.2	130.2	171.7	177	0	0	0	0	111	Y419 I423 N424 I425	Y419-S421 PolarHBondContact O-N 2.94Å; S421-I423 PolarHBondContact O-N 2.69Å; S421-N424 WeakPolarHBondContact O-CA 3.23Å; S421-N424 WeakPolarHBondContact O-CB 3.3Å; S421-N424 PolarHBondContact O-N 3.33Å; S421-I425 PolarHBondContact O-N 3.12Å
422	K	63.3	Low	68	Low	185 Å²	185	104.2 Å²	104.2	80%	0.804	55%	0.553	S	S	*	*	H	α-helix	trans	-52.4	-31.7	-176.6	-66.5	-176.3	177.6	-178.4	0	113.6	M420 A426	M420-K422 PolarHBondContact O-N 3.44Å; K422-A426 WeakPolarHBondContact O-CB 3.48Å; K422-A426 PolarHBondContact O-N 3.38Å; K422-A426 VanDerWaalsContact O-N 3.09Å
423	I	62.9	Low	70.4	Confident	134 Å²	134	101 Å²	101	69%	0.687	54%	0.541	S	S	*	.	H	α-helix	trans	-72.1	-40.2	178	-64.7	172	0	0	0	111.1	S421 K427	S421-I423 PolarHBondContact O-N 2.69Å; I423-K427 PolarHBondContact O-N 2.97Å; I423-K427 VanDerWaalsContact O-N 3.09Å
424	N	75.1	Confident	72.6	Confident	85 Å²	85	103.5 Å²	103.5	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-68.9	-42.1	177.3	-67.3	-13.2	0	0	0	111	S421 K427 R428	S421-N424 WeakPolarHBondContact O-CA 3.23Å; S421-N424 WeakPolarHBondContact O-CB 3.3Å; S421-N424 PolarHBondContact O-N 3.33Å; N424-K427 PolarHBondContact O-N 3.36Å; N424-R428 PolarHBondContact O-N 2.85Å
425	I	81.9	Confident	75.1	Confident	78 Å²	78	99.9 Å²	99.9	40%	0.4	51%	0.51	S	S	.	.	H	α-helix	trans	-60	-48.6	175.5	-63.4	170.3	0	0	0	110.7	M420 S421 K427 R428 R429	M420-I425 HydrophobicContact CB-CD1 4.21Å; M420-I425 WeakPolarHBondContact O-CD1 3.42Å; M420-I425 HydrophobicContact SD-CD1 4.03Å; M420-I425 HydrophobicContact SD-CG1 4.3Å; S421-I425 PolarHBondContact O-N 3.12Å; I425-K427 VanDerWaalsContact C-N 3.32Å; I425-K427 PolarHBondContact O-N 2.95Å; I425-R428 PolarHBondContact O-N 3.01Å; I425-R429 WeakPolarHBondContact O-CB 3.5Å; I425-R429 PolarHBondContact O-N 3.48Å
426	A	86.2	Confident	77.5	Confident	61 Å²	61	100 Å²	100	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-40.9	177.8	0	0	0	0	0	112.3	K422 A430	K422-A426 WeakPolarHBondContact O-CB 3.48Å; K422-A426 PolarHBondContact O-N 3.38Å; K422-A426 VanDerWaalsContact O-N 3.09Å; A426-A430 WeakPolarHBondContact O-CB 3.49Å; A426-A430 PolarHBondContact O-N 2.99Å
427	K	89.3	Confident	79.8	Confident	164 Å²	164	102.4 Å²	102.4	71%	0.713	51%	0.505	S	S	*	.	H	α-helix	trans	-66.9	-42.7	176.3	-171.1	-178.5	177	-172.6	0	112.6	I423 N424 I425 A430 N431	I423-K427 PolarHBondContact O-N 2.97Å; I423-K427 VanDerWaalsContact O-N 3.09Å; N424-K427 PolarHBondContact O-N 3.36Å; I425-K427 VanDerWaalsContact C-N 3.32Å; I425-K427 PolarHBondContact O-N 2.95Å; K427-A430 PolarHBondContact O-N 3.47Å; K427-N431 PolarHBondContact O-N 3.15Å; K427-N431 VanDerWaalsContact O-N 3.13Å
428	R	86.4	Confident	82.1	Confident	98 Å²	98	99.5 Å²	99.5	37%	0.37	49%	0.49	S	S	.	.	H	α-helix	trans	-58.5	-48.7	175.4	-172.3	-168.4	-73	-175.4	-2.3	110.3	D395 Y419 N424 I425 A430 N431 Q432	D395-R428 IonicContact OD2-NH1 2.68Å; D395-R428 PolarHBondContact OD2-NH1 2.88Å; Y419-R428 PolarHBondContact OH-NH2 3.27Å; N424-R428 PolarHBondContact O-N 2.85Å; I425-R428 PolarHBondContact O-N 3.01Å; R428-A430 PolarHBondContact O-N 3.24Å; R428-N431 PolarHBondContact O-N 2.99Å; R428-Q432 PolarHBondContact O-N 3.3Å
429	R	90.4	Very high	84.3	Confident	162 Å²	162	95.5 Å²	95.5	61%	0.611	46%	0.461	S	S	*	.	H	α-helix	trans	-63.5	-39.1	179.9	-169.5	174.2	-174.9	163	4.9	113.1	I425 Q432 Q433	I425-R429 WeakPolarHBondContact O-CB 3.5Å; I425-R429 PolarHBondContact O-N 3.48Å; R429-Q432 PolarHBondContact O-N 2.75Å; R429-Q433 WeakPolarHBondContact O-CG 3.46Å; R429-Q433 PolarHBondContact O-N 3.13Å
430	A	93.3	Very high	86.5	Confident	53 Å²	53	95.7 Å²	95.7	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175.5	0	0	0	0	0	112.1	A426 K427 R428 Q432 Q433 E434	A426-A430 WeakPolarHBondContact O-CB 3.49Å; A426-A430 PolarHBondContact O-N 2.99Å; K427-A430 PolarHBondContact O-N 3.47Å; R428-A430 PolarHBondContact O-N 3.24Å; A430-Q432 VanDerWaalsContact C-N 3.35Å; A430-Q432 PolarHBondContact O-N 3Å; A430-Q433 PolarHBondContact O-N 2.94Å; A430-E434 PolarHBondContact O-N 2.8Å
431	N	94.8	Very high	88.5	Confident	86 Å²	86	95.1 Å²	95.1	46%	0.46	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-40.9	176	-175.2	90.4	0	0	0	112.3	M390 K427 R428 T435	M390-N431 PolarHBondContact SD-ND2 3.29Å; K427-N431 PolarHBondContact O-N 3.15Å; K427-N431 VanDerWaalsContact O-N 3.13Å; R428-N431 PolarHBondContact O-N 2.99Å; N431-T435 WeakPolarHBondContact O-CB 3.32Å; N431-T435 PolarHBondContact O-N 3.36Å; N431-T435 PolarHBondContact O-OG1 3.2Å
432	Q	94.9	Very high	90.2	Very high	45 Å²	45	94.9 Å²	94.9	21%	0.21	46%	0.459	C	S	.	.	H	α-helix	trans	-58.8	-51.4	172.7	-177.3	-168.2	-23.9	0	0	111	M390 R428 R429 A430 E434 T435 E436	M390-Q432 HydrophobicContact CE-CB 4.43Å; R428-Q432 PolarHBondContact O-N 3.3Å; R429-Q432 PolarHBondContact O-N 2.75Å; A430-Q432 VanDerWaalsContact C-N 3.35Å; A430-Q432 PolarHBondContact O-N 3Å; Q432-E434 VanDerWaalsContact C-N 3.34Å; Q432-E434 PolarHBondContact O-N 2.91Å; Q432-T435 CarbonylContact O-C 3.36Å; Q432-T435 WeakPolarHBondContact O-CA 3.49Å; Q432-T435 WeakPolarHBondContact O-CB 3.32Å; Q432-T435 PolarHBondContact O-N 2.99Å; Q432-E436 HydrophobicContact CG-CG 4.46Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.48Å; Q432-E436 PolarHBondContact NE2-OE1 3.21Å; Q432-E436 WeakPolarHBondContact O-CG 3.44Å; Q432-E436 PolarHBondContact O-N 3.18Å
433	Q	96.1	Very high	91.9	Very high	101 Å²	101	90.4 Å²	90.4	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-63.2	-35	-179.3	-73.1	177.2	-35	0	0	113.6	R429 A430 E436 M437	R429-Q433 WeakPolarHBondContact O-CG 3.46Å; R429-Q433 PolarHBondContact O-N 3.13Å; A430-Q433 PolarHBondContact O-N 2.94Å; Q433-E436 PolarHBondContact O-N 3.07Å; Q433-M437 WeakPolarHBondContact O-CB 3.44Å; Q433-M437 PolarHBondContact O-N 2.98Å
434	E	97.3	Very high	93.6	Very high	144 Å²	144	91 Å²	91	67%	0.673	44%	0.438	S	S	*	.	H	α-helix	trans	-65.2	-40.8	172.1	-174	169.1	-170.5	0	0	111.3	A430 Q432 M437 F438	A430-E434 PolarHBondContact O-N 2.8Å; Q432-E434 VanDerWaalsContact C-N 3.34Å; Q432-E434 PolarHBondContact O-N 2.91Å; E434-M437 PolarHBondContact O-N 3.07Å; E434-F438 PolarHBondContact O-N 2.75Å
435	T	97.1	Very high	94.7	Very high	25 Å²	25	91 Å²	91	15%	0.153	44%	0.435	C	S	.	.	H	α-helix	trans	-67.8	-39.4	176.1	-49.5	0	0	0	0	111.8	T383 L387 M390 N431 Q432 F438 Y439	T383-T435 HydrophobicContact CG2-CG2 3.73Å; L387-T435 HydrophobicContact CD2-CG2 3.67Å; L387-T435 HydrophobicContact CG-CG2 3.79Å; M390-T435 HydrophobicContact CE-CG2 3.98Å; N431-T435 WeakPolarHBondContact O-CB 3.32Å; N431-T435 PolarHBondContact O-N 3.36Å; N431-T435 PolarHBondContact O-OG1 3.2Å; Q432-T435 CarbonylContact O-C 3.36Å; Q432-T435 WeakPolarHBondContact O-CA 3.49Å; Q432-T435 WeakPolarHBondContact O-CB 3.32Å; Q432-T435 PolarHBondContact O-N 2.99Å; T435-F438 PolarHBondContact O-N 2.77Å; T435-Y439 WeakPolarHBondContact O-CB 3.19Å; T435-Y439 PolarHBondContact O-N 3.15Å
436	E	97.5	Very high	95.5	Very high	59 Å²	59	90.4 Å²	90.4	28%	0.276	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-45.9	173.4	-71.7	168	178	0	0	111	L387 Q432 Q433 F438 Y439 F440	L387-E436 HydrophobicContact CD2-CG 3.68Å; Q432-E436 HydrophobicContact CG-CG 4.46Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.48Å; Q432-E436 PolarHBondContact NE2-OE1 3.21Å; Q432-E436 WeakPolarHBondContact O-CG 3.44Å; Q432-E436 PolarHBondContact O-N 3.18Å; Q433-E436 PolarHBondContact O-N 3.07Å; E436-F438 VanDerWaalsContact C-N 3.32Å; E436-F438 PolarHBondContact O-N 2.97Å; E436-Y439 WeakPolarHBondContact O-CB 3.36Å; E436-Y439 PolarHBondContact O-N 3.2Å; E436-F440 WeakPolarHBondContact O-CD2 3.35Å; E436-F440 PolarHBondContact O-N 2.77Å
437	M	97.6	Very high	96	Very high	128 Å²	128	89.8 Å²	89.8	63%	0.631	42%	0.418	S	S	*	.	H	α-helix	trans	-61.8	-40	176.7	-172.8	61.1	63.1	0	0	111.9	Q433 E434 T441	Q433-M437 WeakPolarHBondContact O-CB 3.44Å; Q433-M437 PolarHBondContact O-N 2.98Å; E434-M437 PolarHBondContact O-N 3.07Å; M437-T441 WeakPolarHBondContact O-CB 3.49Å; M437-T441 PolarHBondContact O-N 2.95Å; M437-T441 PolarHBondContact O-OG1 3.27Å
438	F	98.3	Very high	96.4	Very high	95 Å²	95	86.6 Å²	86.6	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-67	-42.9	174.8	-173.3	-110.9	0	0	0	112.1	T379 T383 E434 T435 E436 T441 K442	T379-F438 HydrophobicContact CG2-CE1 3.66Å; T379-F438 HydrophobicContact CG2-CZ 3.74Å; T383-F438 HydrophobicContact CG2-CD1 3.85Å; E434-F438 PolarHBondContact O-N 2.75Å; T435-F438 PolarHBondContact O-N 2.77Å; E436-F438 VanDerWaalsContact C-N 3.32Å; E436-F438 PolarHBondContact O-N 2.97Å; F438-T441 WeakPolarHBondContact O-CB 3.4Å; F438-T441 PolarHBondContact O-N 3.39Å; F438-K442 HydrophobicContact CE1-CG 4.12Å; F438-K442 HydrophobicContact CE2-CG 4.23Å; F438-K442 HydrophobicContact CZ-CD 4.43Å; F438-K442 HydrophobicContact CZ-CG 3.98Å; F438-K442 PolarHBondContact O-N 2.9Å
439	Y	98.4	Very high	96.9	Very high	47 Å²	47	82.9 Å²	82.9	18%	0.184	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-52.4	173.5	172.1	-91.1	0	0	0	111.6	L380 M384 L387 T435 E436 T441 K442 F443	L380-Y439 HydrophobicContact CD1-CD2 3.49Å; L380-Y439 VanDerWaalsContact CD1-CD2 3.49Å; L380-Y439 HydrophobicContact CD1-CE2 3.39Å; L380-Y439 HydrophobicContact CD1-CG 4.19Å; L380-Y439 HydrophobicContact CG-CE2 4.25Å; M384-Y439 HydrophobicContact CB-CD2 4.16Å; M384-Y439 HydrophobicContact CB-CE2 3.8Å; M384-Y439 HydrophobicContact CG-CE2 3.89Å; M384-Y439 HydrophobicContact SD-CE2 4.17Å; L387-Y439 HydrophobicContact CD1-CD1 4.4Å; L387-Y439 HydrophobicContact CD1-CD2 4.05Å; L387-Y439 HydrophobicContact CD1-CG 3.76Å; T435-Y439 WeakPolarHBondContact O-CB 3.19Å; T435-Y439 PolarHBondContact O-N 3.15Å; E436-Y439 WeakPolarHBondContact O-CB 3.36Å; E436-Y439 PolarHBondContact O-N 3.2Å; Y439-T441 VanDerWaalsContact C-N 3.29Å; Y439-T441 PolarHBondContact O-N 3.39Å; Y439-K442 PolarHBondContact O-N 2.93Å; Y439-F443 WeakPolarHBondContact O-CB 3.37Å; Y439-F443 PolarHBondContact O-N 2.91Å
440	F	98.2	Very high	97.3	Very high	129 Å²	129	77 Å²	77	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-64.9	-33.2	179.4	-77.6	-65	0	0	0	112.7	E436 K444	E436-F440 WeakPolarHBondContact O-CD2 3.35Å; E436-F440 PolarHBondContact O-N 2.77Å; F440-K444 VanDerWaalsContact O-CB 3.31Å; F440-K444 WeakPolarHBondContact O-CB 3.36Å; F440-K444 PolarHBondContact O-N 3.39Å
441	T	98.2	Very high	97.5	Very high	75 Å²	75	78 Å²	78	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-61.9	-48.9	172.2	-61.5	0	0	0	0	111	M437 F438 Y439 K444 E445	M437-T441 WeakPolarHBondContact O-CB 3.49Å; M437-T441 PolarHBondContact O-N 2.95Å; M437-T441 PolarHBondContact O-OG1 3.27Å; F438-T441 WeakPolarHBondContact O-CB 3.4Å; F438-T441 PolarHBondContact O-N 3.39Å; Y439-T441 VanDerWaalsContact C-N 3.29Å; Y439-T441 PolarHBondContact O-N 3.39Å; T441-K444 PolarHBondContact O-N 3.28Å; T441-E445 PolarHBondContact O-N 3.01Å
442	K	98.2	Very high	97.6	Very high	38 Å²	38	76.9 Å²	76.9	17%	0.165	38%	0.376	C	S	.	.	H	α-helix	trans	-70.3	-32.7	178.4	-72.5	-73.5	161.6	-163.8	0	113.2	V376 T379 L380 F438 Y439 E445 Y446	V376-K442 HydrophobicContact CG1-CD 4.1Å; T379-K442 HydrophobicContact CG2-CD 3.92Å; T379-K442 HydrophobicContact CG2-CG 4.05Å; L380-K442 HydrophobicContact CB-CB 4.34Å; L380-K442 HydrophobicContact CD1-CB 4.28Å; F438-K442 HydrophobicContact CE1-CG 4.12Å; F438-K442 HydrophobicContact CE2-CG 4.23Å; F438-K442 HydrophobicContact CZ-CD 4.43Å; F438-K442 HydrophobicContact CZ-CG 3.98Å; F438-K442 PolarHBondContact O-N 2.9Å; Y439-K442 PolarHBondContact O-N 2.93Å; K442-E445 WeakPolarHBondContact CD-OE2 3.45Å; K442-E445 WeakPolarHBondContact CE-OE2 3.5Å; K442-E445 IonicContact NZ-OE1 3.16Å; K442-E445 PolarHBondContact NZ-OE1 3.39Å; K442-E445 IonicContact NZ-OE2 2.66Å; K442-E445 PolarHBondContact NZ-OE2 2.89Å; K442-E445 PolarHBondContact O-N 3.03Å; K442-Y446 VanDerWaalsContact O-CB 3.3Å; K442-Y446 WeakPolarHBondContact O-CB 3.43Å; K442-Y446 PolarHBondContact O-N 2.93Å
443	F	98.4	Very high	97.7	Very high	92 Å²	92	75.6 Å²	75.6	40%	0.404	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-46.2	173.4	-178.8	-104.2	0	0	0	110.9	L380 Y439 E445 Y446 V447	L380-F443 HydrophobicContact CD1-CB 3.88Å; L380-F443 HydrophobicContact CD2-CD2 4.11Å; Y439-F443 WeakPolarHBondContact O-CB 3.37Å; Y439-F443 PolarHBondContact O-N 2.91Å; F443-E445 VanDerWaalsContact C-N 3.34Å; F443-E445 PolarHBondContact O-N 3.38Å; F443-Y446 PolarHBondContact O-N 3.4Å; F443-V447 HydrophobicContact CD1-CG2 4.31Å; F443-V447 HydrophobicContact CD2-CG2 4.34Å; F443-V447 HydrophobicContact CE1-CG2 3.96Å; F443-V447 HydrophobicContact CE2-CG2 3.99Å; F443-V447 HydrophobicContact CG-CG2 4.49Å; F443-V447 HydrophobicContact CZ-CG2 3.79Å; F443-V447 WeakPolarHBondContact O-CB 3.41Å; F443-V447 VanDerWaalsContact O-CG2 3.32Å; F443-V447 WeakPolarHBondContact O-CG2 3.39Å; F443-V447 PolarHBondContact O-N 2.98Å
444	K	98.1	Very high	97.8	Very high	145 Å²	145	74.9 Å²	74.9	63%	0.63	37%	0.373	S	S	*	.	H	α-helix	trans	-61.5	-40.6	175.2	-178.6	176.2	178.9	178.1	0	111.9	F440 T441 N448	F440-K444 VanDerWaalsContact O-CB 3.31Å; F440-K444 WeakPolarHBondContact O-CB 3.36Å; F440-K444 PolarHBondContact O-N 3.39Å; T441-K444 PolarHBondContact O-N 3.28Å; K444-N448 WeakPolarHBondContact O-CB 3.36Å; K444-N448 PolarHBondContact O-N 3.48Å; K444-N448 VanDerWaalsContact O-N 3.12Å; K444-N448 PolarHBondContact O-ND2 2.84Å
445	E	98	Very high	97.8	Very high	86 Å²	86	74.5 Å²	74.5	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-48.3	174.8	-169.3	-180	172.9	0	0	111.5	V376 T441 K442 F443 N448 G449	V376-E445 HydrophobicContact CG1-CB 3.93Å; V376-E445 HydrophobicContact CG1-CG 3.89Å; V376-E445 HydrophobicContact CG2-CG 4.05Å; V376-E445 WeakPolarHBondContact CG2-OE1 3.35Å; T441-E445 PolarHBondContact O-N 3.01Å; K442-E445 WeakPolarHBondContact CD-OE2 3.45Å; K442-E445 WeakPolarHBondContact CE-OE2 3.5Å; K442-E445 IonicContact NZ-OE1 3.16Å; K442-E445 PolarHBondContact NZ-OE1 3.39Å; K442-E445 IonicContact NZ-OE2 2.66Å; K442-E445 PolarHBondContact NZ-OE2 2.89Å; K442-E445 PolarHBondContact O-N 3.03Å; F443-E445 VanDerWaalsContact C-N 3.34Å; F443-E445 PolarHBondContact O-N 3.38Å; E445-N448 PolarHBondContact O-N 2.74Å; E445-G449 PolarHBondContact O-N 3.09Å
446	Y	98.3	Very high	97.9	Very high	65 Å²	65	74.5 Å²	74.5	26%	0.255	37%	0.369	S	S	.	.	H	α-helix	trans	-57.6	-51	176.9	171.4	-108.9	0	0	0	112.3	N373 R377 L380 K442 F443 N448 G449 S450	N373-Y446 PolarHBondContact ND2-O 3.13Å; R377-Y446 HydrophobicContact CB-CD2 3.87Å; R377-Y446 HydrophobicContact CB-CE2 3.89Å; R377-Y446 HydrophobicContact CG-CD2 4.27Å; R377-Y446 HydrophobicContact CG-CE2 3.95Å; L380-Y446 HydrophobicContact CD2-CD1 4.02Å; L380-Y446 HydrophobicContact CD2-CG 4.12Å; K442-Y446 VanDerWaalsContact O-CB 3.3Å; K442-Y446 WeakPolarHBondContact O-CB 3.43Å; K442-Y446 PolarHBondContact O-N 2.93Å; F443-Y446 PolarHBondContact O-N 3.4Å; Y446-N448 VanDerWaalsContact C-N 3.34Å; Y446-N448 PolarHBondContact O-N 2.77Å; Y446-G449 PolarHBondContact O-N 3.46Å; Y446-S450 VanDerWaalsContact O-CB 3.29Å; Y446-S450 WeakPolarHBondContact O-CB 3.43Å; Y446-S450 PolarHBondContact O-N 3.25Å
447	V	97.6	Very high	97.9	Very high	49 Å²	49	73.8 Å²	73.8	30%	0.297	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-38.9	-179.7	169.2	0	0	0	0	111.3	F443 N451	F443-V447 HydrophobicContact CD1-CG2 4.31Å; F443-V447 HydrophobicContact CD2-CG2 4.34Å; F443-V447 HydrophobicContact CE1-CG2 3.96Å; F443-V447 HydrophobicContact CE2-CG2 3.99Å; F443-V447 HydrophobicContact CG-CG2 4.49Å; F443-V447 HydrophobicContact CZ-CG2 3.79Å; F443-V447 WeakPolarHBondContact O-CB 3.41Å; F443-V447 VanDerWaalsContact O-CG2 3.32Å; F443-V447 WeakPolarHBondContact O-CG2 3.39Å; F443-V447 PolarHBondContact O-N 2.98Å; V447-N451 WeakPolarHBondContact CG1-ND2 3.47Å; V447-N451 VanDerWaalsContact O-CB 3.22Å; V447-N451 WeakPolarHBondContact O-CB 3.12Å; V447-N451 VanDerWaalsContact O-CG 3.29Å; V447-N451 PolarHBondContact O-N 3.12Å; V447-N451 PolarHBondContact O-ND2 2.94Å
448	N	97.1	Very high	97.8	Very high	97 Å²	97	70.9 Å²	70.9	52%	0.519	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-43	176.6	-79.5	-53.6	0	0	0	112.5	K444 E445 Y446 N451 L452	K444-N448 WeakPolarHBondContact O-CB 3.36Å; K444-N448 PolarHBondContact O-N 3.48Å; K444-N448 VanDerWaalsContact O-N 3.12Å; K444-N448 PolarHBondContact O-ND2 2.84Å; E445-N448 PolarHBondContact O-N 2.74Å; Y446-N448 VanDerWaalsContact C-N 3.34Å; Y446-N448 PolarHBondContact O-N 2.77Å; N448-N451 PolarHBondContact O-N 3.49Å; N448-L452 PolarHBondContact O-N 2.93Å
449	G	97.4	Very high	97.7	Very high	19 Å²	19	72.3 Å²	72.3	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-48	174.5	0	0	0	0	0	112.4	E445 Y446 N451 L452 I453	E445-G449 PolarHBondContact O-N 3.09Å; Y446-G449 PolarHBondContact O-N 3.46Å; G449-N451 PolarHBondContact O-N 3.11Å; G449-L452 PolarHBondContact O-N 2.96Å; G449-L452 VanDerWaalsContact O-N 3.1Å; G449-I453 WeakPolarHBondContact O-CG1 3.34Å; G449-I453 PolarHBondContact O-N 3.1Å
450	S	98	Very high	97.6	Very high	38 Å²	38	70.9 Å²	70.9	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-40.1	178	-178.4	0	0	0	0	112.3	N373 Y446 L452 I453 T454	N373-S450 PolarHBondContact ND2-N 3.09Å; Y446-S450 VanDerWaalsContact O-CB 3.29Å; Y446-S450 WeakPolarHBondContact O-CB 3.43Å; Y446-S450 PolarHBondContact O-N 3.25Å; S450-L452 PolarHBondContact O-N 3.22Å; S450-I453 PolarHBondContact O-N 2.97Å; S450-T454 WeakPolarHBondContact O-CB 3.04Å; S450-T454 PolarHBondContact O-N 3.28Å; S450-T454 PolarHBondContact O-OG1 3.39Å
451	N	97.6	Very high	97.5	Very high	74 Å²	74	68 Å²	68	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-39.3	172.3	-86.7	-50.5	0	0	0	112.8	V447 N448 G449 K455	V447-N451 WeakPolarHBondContact CG1-ND2 3.47Å; V447-N451 VanDerWaalsContact O-CB 3.22Å; V447-N451 WeakPolarHBondContact O-CB 3.12Å; V447-N451 VanDerWaalsContact O-CG 3.29Å; V447-N451 PolarHBondContact O-N 3.12Å; V447-N451 PolarHBondContact O-ND2 2.94Å; N448-N451 PolarHBondContact O-N 3.49Å; G449-N451 PolarHBondContact O-N 3.11Å; N451-K455 WeakPolarHBondContact O-CB 3.39Å; N451-K455 WeakPolarHBondContact O-CD 3.39Å; N451-K455 WeakPolarHBondContact O-CG 3.31Å; N451-K455 PolarHBondContact O-N 3.3Å
452	L	97.4	Very high	97.3	Very high	63 Å²	63	68.7 Å²	68.7	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-45.6	176	-179.9	60.1	0	0	0	111.3	L369 N448 G449 S450 T454 K455 L456	L369-L452 HydrophobicContact CD1-CD2 3.85Å; L369-L452 HydrophobicContact CD1-CG 4.03Å; L369-L452 HydrophobicContact CD2-CD2 3.98Å; N448-L452 PolarHBondContact O-N 2.93Å; G449-L452 PolarHBondContact O-N 2.96Å; G449-L452 VanDerWaalsContact O-N 3.1Å; S450-L452 PolarHBondContact O-N 3.22Å; L452-T454 VanDerWaalsContact C-N 3.34Å; L452-T454 PolarHBondContact O-N 3.03Å; L452-K455 PolarHBondContact O-N 3.09Å; L452-L456 HydrophobicContact CD1-CD1 3.95Å; L452-L456 HydrophobicContact CD1-CG 4.06Å; L452-L456 HydrophobicContact CG-CD1 4.03Å; L452-L456 HydrophobicContact CG-CG 4.47Å; L452-L456 WeakPolarHBondContact O-CG 3.22Å; L452-L456 PolarHBondContact O-N 2.87Å
453	I	97.9	Very high	97.1	Very high	19 Å²	19	67.6 Å²	67.6	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-55.7	-50.8	175.6	-68.5	162.1	0	0	0	109.6	L366 L369 K370 N373 G449 S450 K455 L456 Q457	L366-I453 HydrophobicContact CD2-CG2 4.07Å; L369-I453 HydrophobicContact CB-CD1 4.36Å; L369-I453 HydrophobicContact CB-CG1 3.85Å; K370-I453 HydrophobicContact CG-CD1 4.16Å; K370-I453 HydrophobicContact CG-CG1 4.44Å; K370-I453 HydrophobicContact CG-CG2 4.05Å; N373-I453 HydrophobicContact CB-CD1 3.53Å; G449-I453 WeakPolarHBondContact O-CG1 3.34Å; G449-I453 PolarHBondContact O-N 3.1Å; S450-I453 PolarHBondContact O-N 2.97Å; I453-K455 VanDerWaalsContact C-N 3.34Å; I453-K455 PolarHBondContact O-N 3.42Å; I453-L456 PolarHBondContact O-N 2.65Å; I453-L456 VanDerWaalsContact O-N 3.14Å; I453-Q457 WeakPolarHBondContact O-CB 3.46Å; I453-Q457 PolarHBondContact O-N 2.87Å
454	T	97.8	Very high	96.8	Very high	86 Å²	86	68.7 Å²	68.7	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-56.8	-45.6	179.5	-59.1	0	0	0	0	112	S450 L452 L456 Q457 A458	S450-T454 WeakPolarHBondContact O-CB 3.04Å; S450-T454 PolarHBondContact O-N 3.28Å; S450-T454 PolarHBondContact O-OG1 3.39Å; L452-T454 VanDerWaalsContact C-N 3.34Å; L452-T454 PolarHBondContact O-N 3.03Å; T454-L456 VanDerWaalsContact C-N 3.35Å; T454-L456 PolarHBondContact O-N 2.85Å; T454-Q457 PolarHBondContact O-N 2.9Å; T454-A458 PolarHBondContact O-N 2.92Å; T454-A458 VanDerWaalsContact O-N 3.12Å
455	K	97.1	Very high	96.5	Very high	136 Å²	136	67.2 Å²	67.2	59%	0.591	35%	0.349	S	S	*	.	H	α-helix	trans	-66.1	-31.3	178.5	-72.9	167.7	-173.9	174.1	0	113.7	N451 L452 I453 K459	N451-K455 WeakPolarHBondContact O-CB 3.39Å; N451-K455 WeakPolarHBondContact O-CD 3.39Å; N451-K455 WeakPolarHBondContact O-CG 3.31Å; N451-K455 PolarHBondContact O-N 3.3Å; L452-K455 PolarHBondContact O-N 3.09Å; I453-K455 VanDerWaalsContact C-N 3.34Å; I453-K455 PolarHBondContact O-N 3.42Å; K455-K459 WeakPolarHBondContact O-CG 3.48Å
456	L	97.9	Very high	96	Very high	25 Å²	25	64.3 Å²	64.3	13%	0.131	34%	0.337	C	S	.	.	H	α-helix	trans	-85.2	-37.4	177.5	-64.3	179	0	0	0	111.8	L362 R365 L366 L369 L452 I453 T454 K459 H460	L362-L456 HydrophobicContact CD2-CB 4.31Å; L362-L456 HydrophobicContact CD2-CD2 3.69Å; L362-L456 HydrophobicContact CD2-CG 4.49Å; R365-L456 HydrophobicContact CG-CD1 4.3Å; L366-L456 HydrophobicContact CD1-CB 4.43Å; L366-L456 HydrophobicContact CD2-CB 3.82Å; L366-L456 HydrophobicContact CG-CB 4.07Å; L369-L456 HydrophobicContact CD1-CD1 3.6Å; L452-L456 HydrophobicContact CD1-CD1 3.95Å; L452-L456 HydrophobicContact CD1-CG 4.06Å; L452-L456 HydrophobicContact CG-CD1 4.03Å; L452-L456 HydrophobicContact CG-CG 4.47Å; L452-L456 WeakPolarHBondContact O-CG 3.22Å; L452-L456 PolarHBondContact O-N 2.87Å; I453-L456 PolarHBondContact O-N 2.65Å; I453-L456 VanDerWaalsContact O-N 3.14Å; T454-L456 VanDerWaalsContact C-N 3.35Å; T454-L456 PolarHBondContact O-N 2.85Å; L456-K459 PolarHBondContact O-N 3.23Å; L456-H460 WeakPolarHBondContact O-CB 3.49Å; L456-H460 PolarHBondContact O-N 3.48Å
457	Q	97.6	Very high	95.4	Very high	43 Å²	43	62.7 Å²	62.7	20%	0.201	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-48.6	179.2	-173.1	66	58.7	0	0	110.8	L366 K370 I453 T454 K459 H460 D461	L366-Q457 HydrophobicContact CD1-CB 4.48Å; L366-Q457 HydrophobicContact CD2-CB 4.11Å; K370-Q457 VanDerWaalsContact CE-OE1 3.25Å; I453-Q457 WeakPolarHBondContact O-CB 3.46Å; I453-Q457 PolarHBondContact O-N 2.87Å; T454-Q457 PolarHBondContact O-N 2.9Å; Q457-K459 PolarHBondContact O-N 2.9Å; Q457-H460 WeakPolarHBondContact O-CB 3.41Å; Q457-H460 PolarHBondContact O-N 2.94Å; Q457-H460 VanDerWaalsContact O-N 3.15Å; Q457-D461 WeakPolarHBondContact CG-OD2 3.22Å; Q457-D461 PolarHBondContact NE2-OD1 3.05Å; Q457-D461 PolarHBondContact NE2-OD2 3.21Å; Q457-D461 VanDerWaalsContact O-CG 3.31Å; Q457-D461 PolarHBondContact O-N 3.31Å
458	A	96.6	Very high	93.9	Very high	67 Å²	67	63.1 Å²	63.1	55%	0.554	35%	0.347	S	S	*	.	H	α-helix	trans	-58.4	-34.8	176.5	0	0	0	0	0	113.2	T454 L462	T454-A458 PolarHBondContact O-N 2.92Å; T454-A458 VanDerWaalsContact O-N 3.12Å; A458-L462 PolarHBondContact O-N 3.48Å
459	K	95.7	Very high	91.8	Very high	126 Å²	126	64.3 Å²	64.3	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-75.8	-40.8	176.2	-68.2	177.8	-178.3	-179	0	112.1	L362 K455 L456 Q457 L463	L362-K459 HydrophobicContact CD1-CB 4.12Å; K455-K459 WeakPolarHBondContact O-CG 3.48Å; L456-K459 PolarHBondContact O-N 3.23Å; Q457-K459 PolarHBondContact O-N 2.9Å; K459-L463 WeakPolarHBondContact O-CG 3.31Å; K459-L463 PolarHBondContact O-N 3.33Å; K459-L463 VanDerWaalsContact O-N 3.17Å
460	H	96.3	Very high	89.3	Confident	17 Å²	17	65.8 Å²	65.8	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-47.1	174.6	167	-85.7	0	0	0	111.2	Y359 L362 L366 L456 Q457 L463 K464	Y359-H460 AromaticContact CD2-CD2 3.89Å; Y359-H460 AromaticContact CE2-CD2 3.58Å; Y359-H460 AromaticContact CE2-CE1 3.85Å; Y359-H460 AromaticContact CE2-NE2 3.34Å; Y359-H460 VanDerWaalsContact CE2-NE2 3.34Å; Y359-H460 WeakPolarHBondContact CE2-NE2 3.47Å; Y359-H460 AromaticContact CZ-NE2 3.88Å; L362-H460 HydrophobicContact CB-CB 4.19Å; L366-H460 HydrophobicContact CD1-CB 3.51Å; L456-H460 WeakPolarHBondContact O-CB 3.49Å; L456-H460 PolarHBondContact O-N 3.48Å; Q457-H460 WeakPolarHBondContact O-CB 3.41Å; Q457-H460 PolarHBondContact O-N 2.94Å; Q457-H460 VanDerWaalsContact O-N 3.15Å; H460-L463 PolarHBondContact O-N 3.41Å; H460-K464 VanDerWaalsContact O-CB 3.32Å; H460-K464 WeakPolarHBondContact O-CB 3.38Å; H460-K464 PolarHBondContact O-N 3.36Å
461	D	95.5	Very high	86.4	Confident	68 Å²	68	72.7 Å²	72.7	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-73.1	-35.2	-173.9	-63.9	-26.8	0	0	0	112.8	Q457 K464 Q465	Q457-D461 WeakPolarHBondContact CG-OD2 3.22Å; Q457-D461 PolarHBondContact NE2-OD1 3.05Å; Q457-D461 PolarHBondContact NE2-OD2 3.21Å; Q457-D461 VanDerWaalsContact O-CG 3.31Å; Q457-D461 PolarHBondContact O-N 3.31Å; D461-K464 WeakPolarHBondContact O-CB 3.37Å; D461-K464 PolarHBondContact O-N 3.35Å; D461-Q465 PolarHBondContact O-N 2.9Å
462	L	95.2	Very high	83.9	Confident	89 Å²	89	80.1 Å²	80.1	47%	0.466	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-43.7	171	-177.8	62.3	0	0	0	111.8	V345 A458 Q465 T466	V345-L462 HydrophobicContact CG2-CD2 3.89Å; V345-L462 HydrophobicContact CG2-CG 4.05Å; A458-L462 PolarHBondContact O-N 3.48Å; L462-Q465 PolarHBondContact O-N 3.37Å; L462-T466 PolarHBondContact O-N 3.2Å; L462-T466 VanDerWaalsContact O-N 3.09Å; L462-T466 PolarHBondContact O-OG1 2.85Å
463	L	93.8	Very high	80.9	Confident	16 Å²	16	82 Å²	82	8%	0.084	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-37.8	174.1	-69.6	178	0	0	0	111.8	V345 L355 R358 Y359 L362 K459 H460 Q465 T466 L467	V345-L463 HydrophobicContact CG1-CD2 4.32Å; L355-L463 HydrophobicContact CB-CD2 4.37Å; L355-L463 HydrophobicContact CD2-CD2 3.94Å; R358-L463 HydrophobicContact CG-CD1 4.33Å; Y359-L463 HydrophobicContact CD2-CB 4.39Å; L362-L463 HydrophobicContact CD1-CD1 3.96Å; K459-L463 WeakPolarHBondContact O-CG 3.31Å; K459-L463 PolarHBondContact O-N 3.33Å; K459-L463 VanDerWaalsContact O-N 3.17Å; H460-L463 PolarHBondContact O-N 3.41Å; L463-Q465 VanDerWaalsContact C-N 3.35Å; L463-Q465 PolarHBondContact O-N 3.48Å; L463-T466 PolarHBondContact O-N 2.85Å; L463-L467 HydrophobicContact CB-CD1 4.38Å; L463-L467 VanDerWaalsContact O-CB 3.28Å; L463-L467 WeakPolarHBondContact O-CB 3.31Å; L463-L467 VanDerWaalsContact O-CG 3.26Å; L463-L467 WeakPolarHBondContact O-CG 3.24Å; L463-L467 PolarHBondContact O-N 2.82Å
464	K	92.9	Very high	78	Confident	115 Å²	115	90.4 Å²	90.4	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-60.5	-43.6	176.8	-169.2	-178.2	174.6	-172.5	0	111.8	Y359 H460 D461 G468	Y359-K464 HydrophobicContact CD2-CB 4.29Å; Y359-K464 HydrophobicContact CE2-CB 3.68Å; Y359-K464 HydrophobicContact CE2-CD 4.43Å; Y359-K464 HydrophobicContact CE2-CG 3.9Å; H460-K464 VanDerWaalsContact O-CB 3.32Å; H460-K464 WeakPolarHBondContact O-CB 3.38Å; H460-K464 PolarHBondContact O-N 3.36Å; D461-K464 WeakPolarHBondContact O-CB 3.37Å; D461-K464 PolarHBondContact O-N 3.35Å; K464-G468 PolarHBondContact O-N 3.1Å
465	Q	90.4	Very high	74.7	Confident	114 Å²	114	93.1 Å²	93.1	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-54.8	174.4	-177	178.2	-5	0	0	110.5	D461 L462 L463 L467 G468 E469	D461-Q465 PolarHBondContact O-N 2.9Å; L462-Q465 PolarHBondContact O-N 3.37Å; L463-Q465 VanDerWaalsContact C-N 3.35Å; L463-Q465 PolarHBondContact O-N 3.48Å; Q465-L467 VanDerWaalsContact C-N 3.34Å; Q465-L467 PolarHBondContact O-N 2.72Å; Q465-G468 PolarHBondContact O-N 3.13Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.27Å; Q465-E469 PolarHBondContact NE2-OE1 3.32Å; Q465-E469 VanDerWaalsContact NE2-OE1 3.09Å; Q465-E469 PolarHBondContact O-N 2.91Å; Q465-E469 VanDerWaalsContact O-N 3.1Å
466	T	87.9	Confident	71.6	Confident	25 Å²	25	90.1 Å²	90.1	15%	0.153	51%	0.507	C	S	.	.	H	α-helix	trans	-60	-41.1	-175.4	-48	0	0	0	0	112.7	V345 A347 L462 L463	V345-T466 HydrophobicContact CB-CG2 3.94Å; V345-T466 HydrophobicContact CG1-CG2 4.11Å; V345-T466 WeakPolarHBondContact O-CG2 3.42Å; A347-T466 HydrophobicContact CB-CG2 3.75Å; L462-T466 PolarHBondContact O-N 3.2Å; L462-T466 VanDerWaalsContact O-N 3.09Å; L462-T466 PolarHBondContact O-OG1 2.85Å; L463-T466 PolarHBondContact O-N 2.85Å
467	L	85.9	Confident	68.7	Low	30 Å²	30	95.1 Å²	95.1	16%	0.157	54%	0.539	C	S	.	.	H	α-helix	trans	-78.7	-30	179.9	-65.6	167.1	0	0	0	112.3	A347 Q352 L355 L356 Y359 L463 Q465 G470	A347-L467 HydrophobicContact CB-CD2 4.14Å; Q352-L467 HydrophobicContact CG-CD2 4.44Å; L355-L467 HydrophobicContact CB-CD2 4.27Å; L356-L467 HydrophobicContact CB-CD1 4.47Å; L356-L467 HydrophobicContact CD1-CD1 4.19Å; Y359-L467 HydrophobicContact CG-CD1 4.1Å; L463-L467 HydrophobicContact CB-CD1 4.38Å; L463-L467 VanDerWaalsContact O-CB 3.28Å; L463-L467 WeakPolarHBondContact O-CB 3.31Å; L463-L467 VanDerWaalsContact O-CG 3.26Å; L463-L467 WeakPolarHBondContact O-CG 3.24Å; L463-L467 PolarHBondContact O-N 2.82Å; Q465-L467 VanDerWaalsContact C-N 3.34Å; Q465-L467 PolarHBondContact O-N 2.72Å; L467-G470 PolarHBondContact O-N 2.75Å
468	G	66.8	Low	65.4	Low	58 Å²	58	99.9 Å²	99.9	60%	0.598	57%	0.571	S	S	*	*	H	α-helix	trans	-72.5	-24.7	176.5	0	0	0	0	0	114.2	K464 Q465 G470	K464-G468 PolarHBondContact O-N 3.1Å; Q465-G468 PolarHBondContact O-N 3.13Å; G468-G470 VanDerWaalsContact C-N 3.26Å
469	E	51.4	Low	62.3	Low	122 Å²	122	108 Å²	108	57%	0.57	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-77.6	-11.3	173.5	-70.5	172.1	-166.6	0	0	112.5	Q465 E471	Q465-E469 WeakPolarHBondContact CG-OE1 3.27Å; Q465-E469 PolarHBondContact NE2-OE1 3.32Å; Q465-E469 VanDerWaalsContact NE2-OE1 3.09Å; Q465-E469 PolarHBondContact O-N 2.91Å; Q465-E469 VanDerWaalsContact O-N 3.1Å; E469-E471 VanDerWaalsContact C-N 3.31Å; E469-E471 PolarHBondContact O-N 2.85Å
470	G	45.7	Very low	60.5	Low	50 Å²	50	107.1 Å²	107.1	52%	0.515	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-70.4	-10.4	-175.5	0	0	0	0	0	117	L467 G468	L467-G470 PolarHBondContact O-N 2.75Å; G468-G470 VanDerWaalsContact C-N 3.26Å
471	E	37.9	Very low	58.6	Low	183 Å²	183	111.7 Å²	111.7	86%	0.855	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-89.4	4.7	-179	-68.2	-164.7	135.6	0	0	114.5	E469	E469-E471 VanDerWaalsContact C-N 3.31Å; E469-E471 PolarHBondContact O-N 2.85Å
472	R	44.6	Very low	55.3	Low	230 Å²	230	114.6 Å²	114.6	87%	0.868	65%	0.65	S	S	*	*	S	Bend	trans	-144.4	83.7	179.6	-73.2	-170.7	174.2	174.5	-0.8	115.8
473	A	33.9	Very low	52.6	Low	102 Å²	102	118.3 Å²	118.3	84%	0.843	67%	0.669	S	S	*	*			trans	-171.6	125.6	137.3	0	0	0	0	0	113.1
474	E	36.4	Very low	50.2	Low	197 Å²	197	123 Å²	123	92%	0.921	70%	0.701	S	S	*	*			trans	-133.6	150.6	150.1	-85.5	-156.8	141.1	0	0	109.8
475	C	28.6	Very low	47.8	Very low	143 Å²	143	123.3 Å²	123.3	97%	0.966	71%	0.714	S	S	*	*			trans	72.1	144.7	168	-158.8	0	0	0	0	118.9
476	G	32.6	Very low	45.3	Very low	72 Å²	72	126.8 Å²	126.8	74%	0.742	73%	0.728	S	S	*	*			trans	128.1	74.3	156	0	0	0	0	0	118.6
477	T	36	Very low	42.7	Very low	130 Å²	130	131.7 Å²	131.7	80%	0.798	76%	0.76	S	S	*	*			trans	-58.6	171.6	179.4	45.9	0	0	0	0	119
478	T	30	Very low	40.5	Very low	144 Å²	144	138.9 Å²	138.9	88%	0.883	79%	0.793	S	S	*	*			trans	101.8	168.6	161.2	74.3	0	0	0	0	119.3
479	R	30.7	Very low	39	Very low	238 Å²	238	146 Å²	146	90%	0.898	81%	0.807	S	S	*	*			trans	-153.5	-178.2	-153.6	-143.8	-170.6	-170.8	-172.7	5.3	112.1
480	P	58.8	Low	38	Very low	107 Å²	107	148.5 Å²	148.5	70%	0.695	82%	0.821	S	S	*	*				-92.8	-158.3	-114	46.7	-31	0	0	0	113.6
481	P	55.7	Low	37.8	Very low	112 Å²	112	157.7 Å²	157.7	73%	0.727	84%	0.84	S	S	*	*			cis	-139.9	169.2	-1.4	42.7	-24.8	0	0	0	118.3
482	C	27.2	Very low	37.4	Very low	129 Å²	129	160.1 Å²	160.1	87%	0.872	84%	0.842	S	S	*	*				169.9	167.8	126	-95.5	0	0	0	0	114.7
483	L	37.1	Very low	36.9	Very low	168 Å²	168	154.9 Å²	154.9	88%	0.88	84%	0.837	S	S	*	*			trans	-106.7	-178.5	-173	-67.7	170.6	0	0	0	111.2
484	P	44.3	Very low	37.1	Very low	115 Å²	115	160.7 Å²	160.7	75%	0.747	84%	0.837	S	S	*	*			cis	-138.1	-157.6	13.8	47.3	-27.5	0	0	0	113.5
485	P	42	Very low	37.1	Very low	120 Å²	120	157.6 Å²	157.6	78%	0.779	83%	0.834	S	S	*	*			cis	-124.6	-174.1	-9.5	42.1	-25.6	0	0	0	115.3
486	K	38.8	Very low	37.7	Very low	187 Å²	187	157.6 Å²	157.6	81%	0.813	82%	0.824	S	S	*	*			trans	-93.8	164.3	-177.5	-60.2	175	179.6	174.6	0	113
487	P	32.6	Very low	38.2	Very low	128 Å²	128	158.1 Å²	158.1	83%	0.831	82%	0.816	S	S	*	*				-113	159.1	119.5	33.6	-34.5	0	0	0	112.5
488	Q	40.5	Very low	39	Very low	181 Å²	181	157.4 Å²	157.4	85%	0.846	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.5	121.6	-174.9	-65.2	150.8	-74.9	0	0	111.7
489	K	33.6	Very low	40.2	Very low	208 Å²	208	153.4 Å²	153.4	90%	0.904	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-83	119.3	149.2	-81.6	-167.8	174.7	-174.9	0	108.2
490	M	30.6	Very low	41.4	Very low	174 Å²	174	146.7 Å²	146.7	86%	0.857	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.5	148.8	168.4	-70.5	-175.1	71.7	0	0	110.1	R492	M490-R492 PolarHBondContact O-N 2.94Å
491	R	41.3	Very low	41.6	Very low	244 Å²	244	145.7 Å²	145.7	92%	0.921	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61.3	128.8	157.2	-81.9	177.1	163.3	172.1	-6.9	108.5
492	R	30.8	Very low	42.6	Very low	234 Å²	234	147.4 Å²	147.4	88%	0.883	75%	0.752	S	S	*	*			trans	-113.4	146.1	143.5	-75.8	-170.7	172.3	-167.9	-2.7	107.9	M490	M490-R492 PolarHBondContact O-N 2.94Å
493	P	33.8	Very low	45.3	Very low	120 Å²	120	142 Å²	142	78%	0.779	72%	0.715	S	S	*	*			trans	-74.8	170.2	-173.9	-15.3	32.3	0	0	0	112.6
494	R	38.5	Very low	47.8	Very low	224 Å²	224	134.1 Å²	134.1	85%	0.845	67%	0.673	S	S	*	*			trans	-60.8	149.4	156.1	-64.3	174.3	177.6	162.7	-2.8	108.8	L496	R494-L496 PolarHBondContact O-N 3.24Å; R494-L496 VanDerWaalsContact O-N 3.09Å
495	P	36.6	Very low	49.9	Very low	132 Å²	132	133.7 Å²	133.7	86%	0.857	67%	0.665	S	S	*	*			trans	-62.2	113.8	161.4	28	-32	0	0	0	108.4
496	L	40.4	Very low	52	Low	142 Å²	142	128.3 Å²	128.3	74%	0.743	63%	0.631	S	S	*	*			trans	-74.5	170.5	149	-75	82	0	0	0	107.3	R494 V498	R494-L496 PolarHBondContact O-N 3.24Å; R494-L496 VanDerWaalsContact O-N 3.09Å; L496-V498 PolarHBondContact O-N 2.74Å
497	S	42.6	Very low	54.3	Low	84 Å²	84	120.3 Å²	120.3	59%	0.587	60%	0.598	S	S	*	*			trans	-52.3	136.7	153.5	51.4	0	0	0	0	108.3	Y499	S497-Y499 WeakPolarHBondContact CB-O 3.23Å; S497-Y499 PolarHBondContact O-N 3.14Å; S497-Y499 PolarHBondContact OG-O 3Å
498	V	53.8	Low	57.1	Low	115 Å²	115	114.7 Å²	114.7	70%	0.697	56%	0.561	S	S	*	*	S	Bend	trans	-61.9	-21	-175.8	-174.5	0	0	0	0	111.5	L496	L496-V498 PolarHBondContact O-N 2.74Å
499	Y	54.3	Low	59.4	Low	59 Å²	59	109.2 Å²	109.2	23%	0.231	54%	0.536	C	S	.	.	S	Bend	trans	-122.2	150.9	179.9	-43	-57.6	0	0	0	110.3	S497 H501 F511 S515	S497-Y499 WeakPolarHBondContact CB-O 3.23Å; S497-Y499 PolarHBondContact O-N 3.14Å; S497-Y499 PolarHBondContact OG-O 3Å; Y499-H501 PolarHBondContact O-N 2.99Å; Y499-F511 AromaticContact CD2-CE2 3.57Å; Y499-F511 HydrophobicContact CD2-CE2 3.57Å; Y499-F511 AromaticContact CD2-CZ 3.58Å; Y499-F511 HydrophobicContact CD2-CZ 3.58Å; Y499-F511 HydrophobicContact CE2-CE2 4.35Å; Y499-F511 AromaticContact CE2-CZ 3.9Å; Y499-F511 HydrophobicContact CE2-CZ 3.9Å; Y499-F511 HydrophobicContact CG-CE2 4.19Å; Y499-F511 HydrophobicContact CG-CZ 4.39Å; Y499-S515 VanDerWaalsContact CD1-CA 3.42Å; Y499-S515 VanDerWaalsContact CE1-CA 3.4Å
500	S	55.4	Low	61.9	Low	97 Å²	97	100.3 Å²	100.3	68%	0.678	50%	0.501	S	S	*	.	S	Bend	trans	-77.5	-7.5	-174.5	-36.4	0	0	0	0	114	D514	S500-D514 WeakPolarHBondContact CB-OD2 3.43Å; S500-D514 PolarHBondContact N-OD2 3.17Å; S500-D514 VanDerWaalsContact N-OD2 3.15Å; S500-D514 PolarHBondContact OG-OD2 3.47Å
501	H	63.9	Low	64.5	Low	86 Å²	86	92.6 Å²	92.6	40%	0.398	46%	0.463	S	S	.	.	S	Bend	trans	-120.9	150.5	-171.6	-67.1	-74.4	0	0	0	111.6	Y499 D514	Y499-H501 PolarHBondContact O-N 2.99Å; H501-D514 IonicContact CD2-OD2 3.19Å
502	K	76.3	Confident	66.6	Low	148 Å²	148	81.5 Å²	81.5	64%	0.643	42%	0.422	S	S	*	.			trans	-70.8	140.3	175.7	-61.3	-177	179.4	179.5	0	110.5	F504	K502-F504 WeakPolarHBondContact CB-O 3.43Å
503	L	83.8	Confident	69.2	Low	17 Å²	17	79 Å²	79	9%	0.089	42%	0.417	C	S	.	.	S	Bend	trans	-71.4	-55.7	175.3	178.8	63.4	0	0	0	111.5	F511 P520 V522 F557 Y583	L503-F511 HydrophobicContact CB-CD2 4.36Å; L503-F511 HydrophobicContact CB-CE2 4Å; L503-F511 HydrophobicContact CD1-CD1 4.05Å; L503-F511 HydrophobicContact CD1-CD2 4.15Å; L503-F511 HydrophobicContact CD1-CE1 3.74Å; L503-F511 HydrophobicContact CD1-CE2 3.83Å; L503-F511 HydrophobicContact CD1-CG 4.27Å; L503-F511 HydrophobicContact CD1-CZ 3.63Å; L503-F511 HydrophobicContact CG-CE2 4.48Å; L503-P520 HydrophobicContact CD1-CB 4.4Å; L503-V522 HydrophobicContact CD1-CG1 3.88Å; L503-V522 HydrophobicContact CD2-CB 4.22Å; L503-V522 HydrophobicContact CD2-CG1 4.03Å; L503-V522 HydrophobicContact CG-CG1 4.16Å; L503-F557 HydrophobicContact CD2-CB 3.73Å; L503-F557 WeakPolarHBondContact CD2-O 3.43Å; L503-Y583 HydrophobicContact CD1-CE2 3.72Å; L503-Y583 HydrophobicContact CG-CE2 4.04Å; L503-Y583 VanDerWaalsContact O-CE2 3.29Å; L503-Y583 WeakPolarHBondContact O-CE2 3.33Å
504	F	89.2	Confident	71.5	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.009	40%	0.397	C	S	.	.	S	Bend	trans	-89.8	147.1	170.8	-64.4	-105.1	0	0	0	109.5	K502 G506 V522 K554 F557 E558 V579 L582 Y583	K502-F504 WeakPolarHBondContact CB-O 3.43Å; F504-G506 VanDerWaalsContact C-N 3.32Å; F504-G506 PolarHBondContact O-N 3.42Å; F504-V522 HydrophobicContact CE2-CG2 4.37Å; F504-V522 HydrophobicContact CZ-CG2 3.88Å; F504-K554 HydrophobicContact CD1-CG 3.86Å; F504-K554 HydrophobicContact CD2-CG 3.86Å; F504-K554 HydrophobicContact CE1-CB 4.41Å; F504-K554 HydrophobicContact CE1-CG 3.59Å; F504-K554 HydrophobicContact CE2-CB 4.34Å; F504-K554 HydrophobicContact CE2-CG 3.61Å; F504-K554 HydrophobicContact CG-CG 3.99Å; F504-K554 HydrophobicContact CZ-CB 4.02Å; F504-K554 HydrophobicContact CZ-CG 3.46Å; F504-K554 VanDerWaalsContact CZ-CG 3.46Å; F504-F557 HydrophobicContact CE2-CB 4.16Å; F504-E558 HydrophobicContact CD2-CG 3.72Å; F504-E558 HydrophobicContact CE2-CG 4.33Å; F504-V579 HydrophobicContact CE1-CG1 4.48Å; F504-V579 HydrophobicContact CZ-CG1 4.03Å; F504-L582 HydrophobicContact CD1-CG 4.41Å; F504-L582 HydrophobicContact CE1-CG 4.31Å; F504-Y583 HydrophobicContact CD1-CD2 4.16Å; F504-Y583 HydrophobicContact CE1-CD2 4.11Å; F504-Y583 HydrophobicContact CE1-CG 4.49Å; F504-Y583 HydrophobicContact CG-CD2 4.43Å; F504-Y583 HydrophobicContact CZ-CD2 4.33Å
505	N	88.2	Confident	73.5	Confident	105 Å²	105	66.8 Å²	66.8	56%	0.561	36%	0.364	S	S	*	.	S	Bend	trans	57.4	41.6	178.1	-49.2	119.7	0	0	0	114.4	G586	N505-G586 WeakPolarHBondContact CA-O 3.45Å; N505-G586 PolarHBondContact N-O 3.1Å; N505-G586 WeakPolarHBondContact ND2-CA 3.18Å; N505-G586 PolarHBondContact ND2-O 3.44Å
506	G	86.2	Confident	75.6	Confident	7 Å²	7	63.7 Å²	63.7	7%	0.072	36%	0.356	C	S	.	.	S	Bend	trans	-146.7	176.4	169.4	0	0	0	0	0	111.6	F504 M508 E588	F504-G506 VanDerWaalsContact C-N 3.32Å; F504-G506 PolarHBondContact O-N 3.42Å; G506-M508 PolarHBondContact O-N 3.03Å; G506-E588 PolarHBondContact O-N 3.18Å
507	S	88.3	Confident	77.6	Confident	19 Å²	19	59.1 Å²	59.1	13%	0.133	33%	0.331	C	S	.	.			trans	-70.1	118.6	175.3	174.5	0	0	0	0	112.5	E509 A510 F511 E588	S507-E509 VanDerWaalsContact C-N 3.26Å; S507-E509 PolarHBondContact O-N 3.39Å; S507-E509 PolarHBondContact OG-N 2.89Å; S507-A510 PolarHBondContact O-N 3.27Å; S507-A510 PolarHBondContact OG-N 3.02Å; S507-F511 PolarHBondContact O-N 3.49Å; S507-E588 WeakPolarHBondContact CB-OE2 3.13Å; S507-E588 PolarHBondContact N-OE2 2.99Å
508	M	91.1	Very high	79.7	Confident	10 Å²	10	57.4 Å²	57.4	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-36.9	174.2	-176.8	176.5	72.9	0	0	112.2	G506 F511 I512 P520 Y583 L587 L591 V627 V630	G506-M508 PolarHBondContact O-N 3.03Å; M508-F511 PolarHBondContact O-N 3.22Å; M508-I512 HydrophobicContact CG-CD1 3.82Å; M508-I512 HydrophobicContact CG-CG1 4.4Å; M508-I512 WeakPolarHBondContact O-CB 3.42Å; M508-I512 WeakPolarHBondContact O-CG1 3.22Å; M508-I512 PolarHBondContact O-N 3.07Å; M508-P520 HydrophobicContact CG-CG 3.99Å; M508-P520 HydrophobicContact SD-CG 4.31Å; M508-Y583 HydrophobicContact SD-CE1 4.44Å; M508-L587 HydrophobicContact CB-CD1 4.33Å; M508-L587 HydrophobicContact CB-CD2 4.08Å; M508-L587 HydrophobicContact SD-CD1 4.25Å; M508-L591 HydrophobicContact CE-CD1 3.77Å; M508-L591 HydrophobicContact SD-CD1 4.46Å; M508-V627 HydrophobicContact CE-CB 4.46Å; M508-V627 HydrophobicContact CE-CG2 4.03Å; M508-V630 HydrophobicContact CE-CB 4.1Å; M508-V630 HydrophobicContact CE-CG1 4.26Å; M508-V630 HydrophobicContact CE-CG2 4.14Å; M508-V630 HydrophobicContact SD-CB 4.27Å; M508-V630 HydrophobicContact SD-CG1 3.93Å; M508-V630 HydrophobicContact SD-CG2 4.06Å
509	E	88.1	Confident	81.4	Confident	66 Å²	66	52 Å²	52	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-67.1	-40.6	179.7	-61.5	175.6	176.8	0	0	111.9	S507 K513 P624 V626 V627	S507-E509 VanDerWaalsContact C-N 3.26Å; S507-E509 PolarHBondContact O-N 3.39Å; S507-E509 PolarHBondContact OG-N 2.89Å; E509-K513 VanDerWaalsContact O-CB 3.24Å; E509-K513 WeakPolarHBondContact O-CB 3.15Å; E509-K513 PolarHBondContact O-N 2.78Å; E509-P624 WeakPolarHBondContact OE1-CB 3.34Å; E509-P624 VanDerWaalsContact OE1-CG 3.26Å; E509-P624 WeakPolarHBondContact OE1-CG 2.75Å; E509-V626 HydrophobicContact CG-CG2 4.25Å; E509-V627 HydrophobicContact CG-CG2 4.23Å; E509-V627 WeakPolarHBondContact OE1-CG2 3.29Å
510	A	86.4	Confident	83.2	Confident	22 Å²	22	49.2 Å²	49.2	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-41.9	174.8	0	0	0	0	0	110.9	S507 K513 D514	S507-A510 PolarHBondContact O-N 3.27Å; S507-A510 PolarHBondContact OG-N 3.02Å; A510-K513 PolarHBondContact O-N 2.89Å; A510-D514 WeakPolarHBondContact O-CB 3.48Å; A510-D514 PolarHBondContact O-N 3.13Å
511	F	85.3	Confident	84.9	Confident	11 Å²	11	47 Å²	47	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-47.8	176.2	-175.7	-87	0	0	0	112.6	Y499 L503 S507 M508 K513 D514 S515 P520	Y499-F511 AromaticContact CD2-CE2 3.57Å; Y499-F511 HydrophobicContact CD2-CE2 3.57Å; Y499-F511 AromaticContact CD2-CZ 3.58Å; Y499-F511 HydrophobicContact CD2-CZ 3.58Å; Y499-F511 HydrophobicContact CE2-CE2 4.35Å; Y499-F511 AromaticContact CE2-CZ 3.9Å; Y499-F511 HydrophobicContact CE2-CZ 3.9Å; Y499-F511 HydrophobicContact CG-CE2 4.19Å; Y499-F511 HydrophobicContact CG-CZ 4.39Å; L503-F511 HydrophobicContact CB-CD2 4.36Å; L503-F511 HydrophobicContact CB-CE2 4Å; L503-F511 HydrophobicContact CD1-CD1 4.05Å; L503-F511 HydrophobicContact CD1-CD2 4.15Å; L503-F511 HydrophobicContact CD1-CE1 3.74Å; L503-F511 HydrophobicContact CD1-CE2 3.83Å; L503-F511 HydrophobicContact CD1-CG 4.27Å; L503-F511 HydrophobicContact CD1-CZ 3.63Å; L503-F511 HydrophobicContact CG-CE2 4.48Å; S507-F511 PolarHBondContact O-N 3.49Å; M508-F511 PolarHBondContact O-N 3.22Å; F511-K513 VanDerWaalsContact C-N 3.33Å; F511-K513 PolarHBondContact O-N 3.46Å; F511-D514 PolarHBondContact O-N 3.07Å; F511-S515 VanDerWaalsContact O-CB 3.27Å; F511-S515 WeakPolarHBondContact O-CB 3.34Å; F511-S515 PolarHBondContact O-N 2.89Å; F511-S515 PolarHBondContact O-OG 2.86Å; F511-P520 HydrophobicContact CD1-CB 4.41Å; F511-P520 HydrophobicContact CE1-CB 4.39Å
512	I	86.4	Confident	86.3	Confident	12 Å²	12	43 Å²	43	6%	0.062	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-43.2	177	-71.7	169.4	0	0	0	110.6	M508 D514 S515 G516 Q517 P520 V626 V630	M508-I512 HydrophobicContact CG-CD1 3.82Å; M508-I512 HydrophobicContact CG-CG1 4.4Å; M508-I512 WeakPolarHBondContact O-CB 3.42Å; M508-I512 WeakPolarHBondContact O-CG1 3.22Å; M508-I512 PolarHBondContact O-N 3.07Å; I512-D514 PolarHBondContact O-N 3.28Å; I512-S515 PolarHBondContact O-N 2.66Å; I512-S515 PolarHBondContact O-OG 2.69Å; I512-G516 WeakPolarHBondContact O-CA 3.34Å; I512-G516 PolarHBondContact O-N 3.36Å; I512-Q517 WeakPolarHBondContact CG1-O 3.24Å; I512-Q517 WeakPolarHBondContact CG2-O 3.46Å; I512-P520 HydrophobicContact CD1-CG 4.11Å; I512-P520 HydrophobicContact CG1-CG 4.02Å; I512-V626 HydrophobicContact CB-CG1 4.26Å; I512-V626 HydrophobicContact CD1-CB 4.3Å; I512-V626 HydrophobicContact CD1-CG1 3.94Å; I512-V626 HydrophobicContact CG2-CG1 3.52Å; I512-V630 HydrophobicContact CD1-CG2 4.11Å
513	K	84.6	Confident	87.2	Confident	180 Å²	180	36 Å²	36	78%	0.783	21%	0.209	S	C	*	.	H	α-helix	trans	-64.2	-38.7	179.7	-175.4	-178.4	175.4	-172.4	0	113.3	E509 A510 F511	E509-K513 VanDerWaalsContact O-CB 3.24Å; E509-K513 WeakPolarHBondContact O-CB 3.15Å; E509-K513 PolarHBondContact O-N 2.78Å; A510-K513 PolarHBondContact O-N 2.89Å; F511-K513 VanDerWaalsContact C-N 3.33Å; F511-K513 PolarHBondContact O-N 3.46Å
514	D	81.9	Confident	87.6	Confident	66 Å²	66	39.3 Å²	39.3	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-78.4	-29.7	178	-99.7	38.6	0	0	0	113.2	S500 H501 A510 F511 I512	S500-D514 WeakPolarHBondContact CB-OD2 3.43Å; S500-D514 PolarHBondContact N-OD2 3.17Å; S500-D514 VanDerWaalsContact N-OD2 3.15Å; S500-D514 PolarHBondContact OG-OD2 3.47Å; H501-D514 IonicContact CD2-OD2 3.19Å; A510-D514 WeakPolarHBondContact O-CB 3.48Å; A510-D514 PolarHBondContact O-N 3.13Å; F511-D514 PolarHBondContact O-N 3.07Å; I512-D514 PolarHBondContact O-N 3.28Å
515	S	80.8	Confident	87.8	Confident	22 Å²	22	39.4 Å²	39.4	15%	0.154	23%	0.226	C	C	.	.	H	α-helix	trans	-92.7	-21.6	-177.5	62.4	0	0	0	0	114.7	Y499 F511 I512 Q517	Y499-S515 VanDerWaalsContact CD1-CA 3.42Å; Y499-S515 VanDerWaalsContact CE1-CA 3.4Å; F511-S515 VanDerWaalsContact O-CB 3.27Å; F511-S515 WeakPolarHBondContact O-CB 3.34Å; F511-S515 PolarHBondContact O-N 2.89Å; F511-S515 PolarHBondContact O-OG 2.86Å; I512-S515 PolarHBondContact O-N 2.66Å; I512-S515 PolarHBondContact O-OG 2.69Å; S515-Q517 PolarHBondContact O-N 3.01Å; S515-Q517 PolarHBondContact OG-N 2.8Å
516	G	80.3	Confident	88.1	Confident	68 Å²	68	34.4 Å²	34.4	70%	0.701	20%	0.199	S	C	*	.			trans	71.1	0.9	-171.6	0	0	0	0	0	114.3	I512 A518	I512-G516 WeakPolarHBondContact O-CA 3.34Å; I512-G516 PolarHBondContact O-N 3.36Å; G516-A518 PolarHBondContact O-N 3.07Å
517	Q	83.6	Confident	88.6	Confident	46 Å²	46	34.1 Å²	34.1	22%	0.215	20%	0.196	C	C	.	.			trans	-76.5	114	179.3	-64.3	-175.2	-19.6	0	0	110.2	I512 S515 I519	I512-Q517 WeakPolarHBondContact CG1-O 3.24Å; I512-Q517 WeakPolarHBondContact CG2-O 3.46Å; S515-Q517 PolarHBondContact O-N 3.01Å; S515-Q517 PolarHBondContact OG-N 2.8Å; Q517-I519 WeakPolarHBondContact CB-O 3.4Å; Q517-I519 PolarHBondContact O-N 3.1Å
518	A	85.3	Confident	88.9	Confident	47 Å²	47	35.5 Å²	35.5	39%	0.388	20%	0.198	S	C	.	.	S	Bend	trans	-62.7	-24	-179.1	0	0	0	0	0	113.6	G516 P703	G516-A518 PolarHBondContact O-N 3.07Å; A518-P703 VanDerWaalsContact CB-CD 3.47Å; A518-P703 HydrophobicContact CB-CG 3.83Å
519	I	90.6	Very high	89	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.015	20%	0.198	C	C	.	.	S	Bend	trans	-132	137	166.4	-63.7	-175.7	0	0	0	107.1	Q517 L521 V523 E524 V629 V630 Y633 P703	Q517-I519 WeakPolarHBondContact CB-O 3.4Å; Q517-I519 PolarHBondContact O-N 3.1Å; I519-L521 PolarHBondContact O-N 3.3Å; I519-V523 HydrophobicContact CG2-CB 3.92Å; I519-V523 HydrophobicContact CG2-CG1 3.9Å; I519-E524 HydrophobicContact CG2-CB 4.29Å; I519-V629 HydrophobicContact CD1-CG1 4.48Å; I519-V629 HydrophobicContact CG1-CG1 4.21Å; I519-V630 HydrophobicContact CG1-CG2 4.42Å; I519-Y633 VanDerWaalsContact CD1-CB 3.47Å; I519-Y633 HydrophobicContact CD1-CD1 3.76Å; I519-Y633 HydrophobicContact CD1-CD2 3.37Å; I519-Y633 HydrophobicContact CD1-CE1 4.29Å; I519-Y633 HydrophobicContact CD1-CE2 3.96Å; I519-Y633 HydrophobicContact CD1-CG 3.26Å; I519-P703 HydrophobicContact CD1-CB 3.82Å; I519-P703 HydrophobicContact CD1-CG 4.2Å; I519-P703 HydrophobicContact CG1-CB 4.34Å; I519-P703 HydrophobicContact CG1-CG 4.18Å
520	P	92.1	Very high	89.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.			trans	-62.2	132.8	178.3	-21	32.7	0	0	0	111.5	L503 M508 F511 I512 V522 V523 E524 Y583	L503-P520 HydrophobicContact CD1-CB 4.4Å; M508-P520 HydrophobicContact CG-CG 3.99Å; M508-P520 HydrophobicContact SD-CG 4.31Å; F511-P520 HydrophobicContact CD1-CB 4.41Å; F511-P520 HydrophobicContact CE1-CB 4.39Å; I512-P520 HydrophobicContact CD1-CG 4.11Å; I512-P520 HydrophobicContact CG1-CG 4.02Å; P520-V522 HydrophobicContact CB-CG1 4.33Å; P520-V522 PolarHBondContact O-N 3.04Å; P520-V523 HydrophobicContact CB-CG2 4.38Å; P520-V523 HydrophobicContact CG-CG2 4.5Å; P520-V523 WeakPolarHBondContact O-CA 3.27Å; P520-V523 WeakPolarHBondContact O-CB 3.49Å; P520-V523 PolarHBondContact O-N 3.25Å; P520-E524 PolarHBondContact O-N 3.38Å; P520-E524 VanDerWaalsContact O-N 3.15Å; P520-Y583 HydrophobicContact CG-CE1 4.44Å; P520-Y583 WeakPolarHBondContact CG-OH 3.34Å
521	L	90	Very high	89.6	Confident	51 Å²	51	32 Å²	32	27%	0.267	18%	0.177	S	C	.	.	H	α-helix	trans	-52.8	-33.2	-174.3	-177.3	59.4	0	0	0	114.8	I519 V523 E524 S525 F557 D562	I519-L521 PolarHBondContact O-N 3.3Å; L521-V523 VanDerWaalsContact C-N 3.33Å; L521-V523 PolarHBondContact O-N 3.34Å; L521-E524 PolarHBondContact O-N 2.95Å; L521-S525 WeakPolarHBondContact O-CB 3.38Å; L521-S525 PolarHBondContact O-N 3.04Å; L521-F557 HydrophobicContact CG-CE1 4.5Å; L521-D562 HydrophobicContact CD2-CB 4.16Å
522	V	93.5	Very high	89.8	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-32.2	174.3	61.8	0	0	0	0	113.4	L503 F504 P520 C526 F557 V579 Y583	L503-V522 HydrophobicContact CD1-CG1 3.88Å; L503-V522 HydrophobicContact CD2-CB 4.22Å; L503-V522 HydrophobicContact CD2-CG1 4.03Å; L503-V522 HydrophobicContact CG-CG1 4.16Å; F504-V522 HydrophobicContact CE2-CG2 4.37Å; F504-V522 HydrophobicContact CZ-CG2 3.88Å; P520-V522 HydrophobicContact CB-CG1 4.33Å; P520-V522 PolarHBondContact O-N 3.04Å; V522-C526 WeakPolarHBondContact O-CB 3.39Å; V522-C526 PolarHBondContact O-N 3.08Å; V522-C526 PolarHBondContact O-SG 3.1Å; V522-F557 HydrophobicContact CB-CB 4.38Å; V522-F557 HydrophobicContact CB-CD1 3.96Å; V522-F557 HydrophobicContact CB-CD2 4.17Å; V522-F557 HydrophobicContact CB-CE1 4.22Å; V522-F557 HydrophobicContact CB-CE2 4.41Å; V522-F557 HydrophobicContact CB-CG 3.93Å; V522-F557 HydrophobicContact CB-CZ 4.44Å; V522-F557 HydrophobicContact CG2-CB 4.41Å; V522-F557 HydrophobicContact CG2-CD1 4.37Å; V522-F557 HydrophobicContact CG2-CD2 3.66Å; V522-F557 HydrophobicContact CG2-CE2 3.9Å; V522-F557 HydrophobicContact CG2-CG 3.92Å; V522-F557 HydrophobicContact CG2-CZ 4.36Å; V522-V579 HydrophobicContact CG2-CG1 4.04Å; V522-Y583 HydrophobicContact CG1-CD1 4.3Å; V522-Y583 HydrophobicContact CG1-CD2 3.44Å; V522-Y583 VanDerWaalsContact CG1-CD2 3.44Å; V522-Y583 HydrophobicContact CG1-CE1 4.42Å; V522-Y583 HydrophobicContact CG1-CE2 3.57Å; V522-Y583 HydrophobicContact CG1-CG 3.83Å
523	V	94.9	Very high	90	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74	-47.5	173.4	176.5	0	0	0	0	109.4	I519 P520 L521 I527 L580 Y583 F584	I519-V523 HydrophobicContact CG2-CB 3.92Å; I519-V523 HydrophobicContact CG2-CG1 3.9Å; P520-V523 HydrophobicContact CB-CG2 4.38Å; P520-V523 HydrophobicContact CG-CG2 4.5Å; P520-V523 WeakPolarHBondContact O-CA 3.27Å; P520-V523 WeakPolarHBondContact O-CB 3.49Å; P520-V523 PolarHBondContact O-N 3.25Å; L521-V523 VanDerWaalsContact C-N 3.33Å; L521-V523 PolarHBondContact O-N 3.34Å; V523-I527 HydrophobicContact CG1-CD1 3.8Å; V523-I527 VanDerWaalsContact O-CB 3.26Å; V523-I527 WeakPolarHBondContact O-CB 3.06Å; V523-I527 VanDerWaalsContact O-CG1 3.27Å; V523-I527 WeakPolarHBondContact O-CG1 3.49Å; V523-I527 PolarHBondContact O-N 3.32Å; V523-L580 HydrophobicContact CB-CD1 4.41Å; V523-L580 HydrophobicContact CG1-CD1 4.34Å; V523-L580 HydrophobicContact CG2-CD1 4.4Å; V523-Y583 HydrophobicContact CG2-CD1 3.49Å; V523-Y583 VanDerWaalsContact CG2-CD1 3.49Å; V523-Y583 HydrophobicContact CG2-CE1 3.43Å; V523-Y583 VanDerWaalsContact CG2-CE1 3.43Å; V523-Y583 HydrophobicContact CG2-CG 4.45Å; V523-F584 HydrophobicContact CB-CZ 4.41Å; V523-F584 HydrophobicContact CG1-CE2 4.36Å; V523-F584 HydrophobicContact CG1-CZ 3.83Å; V523-F584 HydrophobicContact CG2-CE1 4.18Å; V523-F584 HydrophobicContact CG2-CE2 4.17Å; V523-F584 HydrophobicContact CG2-CZ 3.64Å
524	E	93.5	Very high	90.3	Very high	87 Å²	87	30.9 Å²	30.9	41%	0.407	17%	0.173	S	C	.	.	H	α-helix	trans	-61.5	-54.8	-177.8	-172.4	174.1	-177.1	0	0	112.3	I519 P520 L521 I527 R528	I519-E524 HydrophobicContact CG2-CB 4.29Å; P520-E524 PolarHBondContact O-N 3.38Å; P520-E524 VanDerWaalsContact O-N 3.15Å; L521-E524 PolarHBondContact O-N 2.95Å; E524-I527 PolarHBondContact O-N 2.97Å; E524-R528 WeakPolarHBondContact O-CB 3.16Å; E524-R528 PolarHBondContact O-N 2.89Å
525	S	92.6	Very high	90.9	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-73.9	-32.7	-176.7	-77.4	0	0	0	0	114	L521 R528 Y529 D562	L521-S525 WeakPolarHBondContact O-CB 3.38Å; L521-S525 PolarHBondContact O-N 3.04Å; S525-R528 PolarHBondContact O-N 3.17Å; S525-R528 PolarHBondContact OG-NH2 3.33Å; S525-Y529 VanDerWaalsContact O-CB 3.28Å; S525-Y529 WeakPolarHBondContact O-CB 3.49Å; S525-Y529 PolarHBondContact O-N 2.88Å; S525-D562 WeakPolarHBondContact CB-OD2 3.47Å; S525-D562 PolarHBondContact OG-OD2 2.8Å
526	C	95.4	Very high	91.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-38.1	170.3	-70.2	0	0	0	0	111.8	V522 I530 L564 V576 L580	V522-C526 WeakPolarHBondContact O-CB 3.39Å; V522-C526 PolarHBondContact O-N 3.08Å; V522-C526 PolarHBondContact O-SG 3.1Å; C526-I530 WeakPolarHBondContact O-CB 3.5Å; C526-I530 WeakPolarHBondContact O-CD1 3.38Å; C526-I530 WeakPolarHBondContact O-CG1 3.48Å; C526-I530 PolarHBondContact O-N 3.1Å; C526-L564 HydrophobicContact CB-CD1 4.37Å; C526-L564 VanDerWaalsContact SG-CD1 3.57Å; C526-V576 HydrophobicContact CB-CG1 3.98Å; C526-L580 HydrophobicContact CB-CB 3.98Å; C526-L580 HydrophobicContact CB-CD1 4.13Å; C526-L580 HydrophobicContact CB-CD2 4.47Å; C526-L580 HydrophobicContact CB-CG 4.42Å
527	I	96.4	Very high	92.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-44.1	174.3	-75.6	175.6	0	0	0	110.9	V523 E524 I530 N531 L580 Y633 L634 F637 Y705	V523-I527 HydrophobicContact CG1-CD1 3.8Å; V523-I527 VanDerWaalsContact O-CB 3.26Å; V523-I527 WeakPolarHBondContact O-CB 3.06Å; V523-I527 VanDerWaalsContact O-CG1 3.27Å; V523-I527 WeakPolarHBondContact O-CG1 3.49Å; V523-I527 PolarHBondContact O-N 3.32Å; E524-I527 PolarHBondContact O-N 2.97Å; I527-I530 PolarHBondContact O-N 3.27Å; I527-N531 VanDerWaalsContact O-CB 3.25Å; I527-N531 WeakPolarHBondContact O-CB 3.43Å; I527-N531 PolarHBondContact O-N 3.32Å; I527-L580 HydrophobicContact CD1-CD2 4.44Å; I527-L580 HydrophobicContact CG1-CD1 4.43Å; I527-L580 HydrophobicContact CG1-CD2 3.73Å; I527-Y633 HydrophobicContact CB-CE1 4.06Å; I527-Y633 HydrophobicContact CD1-CD1 3.73Å; I527-Y633 HydrophobicContact CD1-CE1 3.77Å; I527-Y633 HydrophobicContact CG2-CE1 3.76Å; I527-L634 HydrophobicContact CD1-CD1 4.13Å; I527-F637 HydrophobicContact CB-CG 4.42Å; I527-F637 HydrophobicContact CD1-CB 4.28Å; I527-F637 HydrophobicContact CD1-CD1 4.01Å; I527-F637 HydrophobicContact CD1-CG 4.25Å; I527-F637 HydrophobicContact CG1-CD1 3.78Å; I527-F637 HydrophobicContact CG1-CE1 4.09Å; I527-F637 HydrophobicContact CG1-CG 4.07Å; I527-F637 HydrophobicContact CG2-CB 3.91Å; I527-F637 HydrophobicContact CG2-CD1 4.26Å; I527-F637 HydrophobicContact CG2-CD2 3.7Å; I527-F637 HydrophobicContact CG2-CE2 4.3Å; I527-F637 HydrophobicContact CG2-CG 3.66Å; I527-Y705 HydrophobicContact CG2-CD2 3.86Å; I527-Y705 HydrophobicContact CG2-CE2 3.71Å
528	R	93.4	Very high	92.6	Very high	48 Å²	48	37.4 Å²	37.4	18%	0.181	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-50.8	174.7	179.7	-179.5	57.6	76.8	5.2	111.6	E524 S525 I530 N531 L532 D562 L564 D567 M709	E524-R528 WeakPolarHBondContact O-CB 3.16Å; E524-R528 PolarHBondContact O-N 2.89Å; S525-R528 PolarHBondContact O-N 3.17Å; S525-R528 PolarHBondContact OG-NH2 3.33Å; R528-I530 PolarHBondContact O-N 2.88Å; R528-N531 WeakPolarHBondContact O-CB 3.24Å; R528-N531 PolarHBondContact O-N 3.46Å; R528-N531 VanDerWaalsContact O-N 3.17Å; R528-L532 HydrophobicContact CG-CD1 3.87Å; R528-L532 HydrophobicContact CG-CG 4.48Å; R528-L532 WeakPolarHBondContact O-CG 3.46Å; R528-L532 PolarHBondContact O-N 2.88Å; R528-D562 IonicContact NH2-OD2 3.72Å; R528-L564 PolarHBondContact NH1-O 2.7Å; R528-L564 PolarHBondContact NH2-O 3.11Å; R528-D567 IonicContact NH1-OD1 3.83Å; R528-M709 HydrophobicContact CG-CB 4.43Å
529	Y	93.1	Very high	93	Very high	13 Å²	13	35.1 Å²	35.1	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-39.3	-178.4	-168.1	-84.1	0	0	0	112	S525 L532 Y533 L564 N569 R571 I573 V576	S525-Y529 VanDerWaalsContact O-CB 3.28Å; S525-Y529 WeakPolarHBondContact O-CB 3.49Å; S525-Y529 PolarHBondContact O-N 2.88Å; Y529-L532 PolarHBondContact O-N 3.27Å; Y529-Y533 AromaticContact CD1-CD2 3.98Å; Y529-Y533 HydrophobicContact CD1-CD2 3.98Å; Y529-Y533 AromaticContact CD2-CD2 3.82Å; Y529-Y533 HydrophobicContact CD2-CD2 3.82Å; Y529-Y533 AromaticContact CD2-CE2 3.85Å; Y529-Y533 HydrophobicContact CD2-CE2 3.85Å; Y529-Y533 AromaticContact CE1-CD2 3.96Å; Y529-Y533 HydrophobicContact CE1-CD2 3.96Å; Y529-Y533 AromaticContact CE2-CD2 3.8Å; Y529-Y533 HydrophobicContact CE2-CD2 3.8Å; Y529-Y533 AromaticContact CE2-CE2 3.85Å; Y529-Y533 HydrophobicContact CE2-CE2 3.85Å; Y529-Y533 AromaticContact CG-CD2 3.91Å; Y529-Y533 HydrophobicContact CG-CD2 3.91Å; Y529-Y533 HydrophobicContact CG-CE2 4.34Å; Y529-Y533 AromaticContact CZ-CD2 3.88Å; Y529-Y533 WeakPolarHBondContact O-CD2 3.39Å; Y529-Y533 PolarHBondContact O-N 3.47Å; Y529-L564 HydrophobicContact CD2-CB 4.03Å; Y529-L564 HydrophobicContact CD2-CD2 4.14Å; Y529-L564 HydrophobicContact CE2-CD2 4.29Å; Y529-L564 HydrophobicContact CG-CB 4.44Å; Y529-L564 HydrophobicContact CG-CD1 4.43Å; Y529-L564 HydrophobicContact CG-CD2 4.34Å; Y529-N569 PolarHBondContact OH-O 2.88Å; Y529-R571 HydrophobicContact CE1-CB 4.45Å; Y529-R571 PolarHBondContact OH-N 3.36Å; Y529-R571 VanDerWaalsContact OH-N 3.11Å; Y529-R571 PolarHBondContact OH-O 3.18Å; Y529-I573 HydrophobicContact CD1-CD1 3.67Å; Y529-I573 HydrophobicContact CE1-CD1 3.77Å; Y529-V576 HydrophobicContact CD1-CB 4.22Å; Y529-V576 HydrophobicContact CD1-CG1 4Å; Y529-V576 HydrophobicContact CD1-CG2 3.85Å; Y529-V576 HydrophobicContact CE1-CG2 3.85Å; Y529-V576 HydrophobicContact CG-CG1 4.49Å
530	I	94.3	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.4	-30.5	175	-59.9	165.3	0	0	0	111.7	C526 I527 R528 G534 L535 I540 F541 I573 V576 A577 L580 F637	C526-I530 WeakPolarHBondContact O-CB 3.5Å; C526-I530 WeakPolarHBondContact O-CD1 3.38Å; C526-I530 WeakPolarHBondContact O-CG1 3.48Å; C526-I530 PolarHBondContact O-N 3.1Å; I527-I530 PolarHBondContact O-N 3.27Å; R528-I530 PolarHBondContact O-N 2.88Å; I530-G534 CarbonylContact O-C 3.59Å; I530-G534 WeakPolarHBondContact O-CA 3.32Å; I530-G534 PolarHBondContact O-N 3.44Å; I530-L535 PolarHBondContact O-N 3.25Å; I530-I540 HydrophobicContact CG2-CD1 4.43Å; I530-I540 HydrophobicContact CG2-CG1 4.13Å; I530-F541 HydrophobicContact CD1-CE1 4.07Å; I530-F541 HydrophobicContact CD1-CE2 4.4Å; I530-F541 HydrophobicContact CD1-CZ 3.58Å; I530-F541 HydrophobicContact CG2-CE2 4.43Å; I530-I573 HydrophobicContact CB-CD1 4.48Å; I530-I573 HydrophobicContact CG1-CD1 4.03Å; I530-V576 HydrophobicContact CD1-CG1 4.14Å; I530-V576 HydrophobicContact CG1-CG1 3.96Å; I530-A577 HydrophobicContact CD1-CB 3.99Å; I530-L580 HydrophobicContact CD1-CD2 4.33Å; I530-F637 HydrophobicContact CB-CE2 4.43Å; I530-F637 HydrophobicContact CB-CZ 4Å; I530-F637 HydrophobicContact CG2-CE2 4.24Å; I530-F637 HydrophobicContact CG2-CZ 3.69Å
531	N	92.6	Very high	93.5	Very high	11 Å²	11	35 Å²	35	6%	0.059	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-30.9	172.7	-167.1	58.8	0	0	0	113.3	I527 R528 L535 H640 Y705 K707	I527-N531 VanDerWaalsContact O-CB 3.25Å; I527-N531 WeakPolarHBondContact O-CB 3.43Å; I527-N531 PolarHBondContact O-N 3.32Å; R528-N531 WeakPolarHBondContact O-CB 3.24Å; R528-N531 PolarHBondContact O-N 3.46Å; R528-N531 VanDerWaalsContact O-N 3.17Å; N531-L535 VanDerWaalsContact O-CD1 3.24Å; N531-L535 WeakPolarHBondContact O-CD1 3.46Å; N531-L535 WeakPolarHBondContact O-CG 3.37Å; N531-H640 PolarHBondContact OD1-ND1 2.88Å; N531-Y705 VanDerWaalsContact CG-OH 3.26Å; N531-Y705 PolarHBondContact OD1-OH 2.9Å; N531-K707 PolarHBondContact ND2-O 3.17Å
532	L	90.5	Very high	93.7	Very high	74 Å²	74	39 Å²	39	39%	0.387	17%	0.174	S	C	.	.	H	α-helix	trans	-82.5	-37.2	178.6	-69	169.3	0	0	0	112.8	R528 Y529	R528-L532 HydrophobicContact CG-CD1 3.87Å; R528-L532 HydrophobicContact CG-CG 4.48Å; R528-L532 WeakPolarHBondContact O-CG 3.46Å; R528-L532 PolarHBondContact O-N 2.88Å; Y529-L532 PolarHBondContact O-N 3.27Å
533	Y	91.3	Very high	93.7	Very high	106 Å²	106	41.8 Å²	41.8	42%	0.416	19%	0.191	S	C	.	.	H	α-helix	trans	-127.2	-8.3	-168.5	-51.3	-62.6	0	0	0	115.4	Y529 D567	Y529-Y533 AromaticContact CD1-CD2 3.98Å; Y529-Y533 HydrophobicContact CD1-CD2 3.98Å; Y529-Y533 AromaticContact CD2-CD2 3.82Å; Y529-Y533 HydrophobicContact CD2-CD2 3.82Å; Y529-Y533 AromaticContact CD2-CE2 3.85Å; Y529-Y533 HydrophobicContact CD2-CE2 3.85Å; Y529-Y533 AromaticContact CE1-CD2 3.96Å; Y529-Y533 HydrophobicContact CE1-CD2 3.96Å; Y529-Y533 AromaticContact CE2-CD2 3.8Å; Y529-Y533 HydrophobicContact CE2-CD2 3.8Å; Y529-Y533 AromaticContact CE2-CE2 3.85Å; Y529-Y533 HydrophobicContact CE2-CE2 3.85Å; Y529-Y533 AromaticContact CG-CD2 3.91Å; Y529-Y533 HydrophobicContact CG-CD2 3.91Å; Y529-Y533 HydrophobicContact CG-CE2 4.34Å; Y529-Y533 AromaticContact CZ-CD2 3.88Å; Y529-Y533 WeakPolarHBondContact O-CD2 3.39Å; Y529-Y533 PolarHBondContact O-N 3.47Å; Y533-D567 VanDerWaalsContact OH-CB 3.31Å; Y533-D567 WeakPolarHBondContact OH-CB 3.37Å; Y533-D567 PolarHBondContact OH-OD1 3Å; Y533-D567 PolarHBondContact OH-OD2 2.97Å
534	G	90.8	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-119	-2.4	-169	0	0	0	0	0	116.3	I530 Q536 Q537	I530-G534 CarbonylContact O-C 3.59Å; I530-G534 WeakPolarHBondContact O-CA 3.32Å; I530-G534 PolarHBondContact O-N 3.44Å; G534-Q536 VanDerWaalsContact C-N 3.28Å; G534-Q536 PolarHBondContact O-N 2.9Å; G534-Q537 WeakPolarHBondContact O-CB 3.24Å; G534-Q537 PolarHBondContact O-N 3.35Å
535	L	93.8	Very high	93.4	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.11	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.9	-178.3	-66.8	178.4	0	0	0	112.9	I530 N531 L641 Y644 N648	I530-L535 PolarHBondContact O-N 3.25Å; N531-L535 VanDerWaalsContact O-CD1 3.24Å; N531-L535 WeakPolarHBondContact O-CD1 3.46Å; N531-L535 WeakPolarHBondContact O-CG 3.37Å; L535-L641 HydrophobicContact CD2-CD1 3.81Å; L535-Y644 HydrophobicContact CB-CD1 4.44Å; L535-Y644 HydrophobicContact CB-CD2 4.13Å; L535-Y644 HydrophobicContact CB-CE2 4.3Å; L535-Y644 HydrophobicContact CB-CG 4.21Å; L535-Y644 HydrophobicContact CD1-CD2 4.41Å; L535-Y644 HydrophobicContact CD1-CE2 3.81Å; L535-Y644 HydrophobicContact CD2-CD2 4.29Å; L535-Y644 HydrophobicContact CD2-CE2 4.35Å; L535-Y644 HydrophobicContact CG-CE2 4.38Å; L535-Y644 WeakPolarHBondContact O-CB 3.19Å; L535-N648 VanDerWaalsContact O-CB 3.31Å; L535-N648 WeakPolarHBondContact O-CB 3.32Å; L535-N648 PolarHBondContact O-ND2 3.47Å
536	Q	91.5	Very high	93.4	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.612	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.7	-179	-53	-177.8	-74.9	0	0	113.1	G534 Q538 E647	G534-Q536 VanDerWaalsContact C-N 3.28Å; G534-Q536 PolarHBondContact O-N 2.9Å; Q536-Q538 PolarHBondContact O-N 2.98Å; Q536-E647 VanDerWaalsContact CD-OE2 3.32Å; Q536-E647 WeakPolarHBondContact CG-OE2 3.49Å; Q536-E647 PolarHBondContact NE2-OE2 2.92Å
537	Q	94.9	Very high	93.3	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.313	25%	0.254	S	S	.	.			trans	-69.6	114.7	-171.8	171.4	65.7	10.1	0	0	111.6	G534 G539 I540 I573 N574 N648	G534-Q537 WeakPolarHBondContact O-CB 3.24Å; G534-Q537 PolarHBondContact O-N 3.35Å; Q537-G539 PolarHBondContact O-N 3.45Å; Q537-G539 VanDerWaalsContact O-N 3.17Å; Q537-I540 HydrophobicContact CB-CB 4.15Å; Q537-I540 HydrophobicContact CB-CD1 4.39Å; Q537-I540 HydrophobicContact CG-CB 4.14Å; Q537-I540 HydrophobicContact CG-CD1 4.11Å; Q537-I540 WeakPolarHBondContact O-CB 3.39Å; Q537-I540 PolarHBondContact O-N 3.35Å; Q537-I573 HydrophobicContact CB-CG2 4.28Å; Q537-I573 HydrophobicContact CG-CG2 3.64Å; Q537-N574 PolarHBondContact NE2-ND2 2.95Å; Q537-N574 PolarHBondContact NE2-OD1 3.17Å; Q537-N648 WeakPolarHBondContact O-CB 3.41Å
538	Q	94.9	Very high	93.1	Very high	120 Å²	120	56.5 Å²	56.5	56%	0.561	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	120.7	-177.6	-167.2	-177.4	79.8	0	0	112.5	Q536 I540 N648 M649	Q536-Q538 PolarHBondContact O-N 2.98Å; Q538-I540 VanDerWaalsContact C-N 3.35Å; Q538-N648 WeakPolarHBondContact CA-O 3.25Å; Q538-M649 HydrophobicContact CG-CB 4.28Å; Q538-M649 HydrophobicContact CG-CG 3.79Å
539	G	93.5	Very high	93.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	23.3	-179.8	0	0	0	0	0	114.2	Q537 R542 V543 N648	Q537-G539 PolarHBondContact O-N 3.45Å; Q537-G539 VanDerWaalsContact O-N 3.17Å; G539-R542 CarbonylContact O-C 3.57Å; G539-R542 WeakPolarHBondContact O-CA 3.31Å; G539-R542 WeakPolarHBondContact O-CB 3.48Å; G539-R542 PolarHBondContact O-N 3Å; G539-V543 PolarHBondContact O-N 3.14Å; G539-N648 PolarHBondContact N-O 3.01Å
540	I	95.3	Very high	93.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	139.9	171.6	-170.2	63.5	0	0	0	111.3	I530 Q537 Q538 R542 I573 A577 L641 N648 M650	I530-I540 HydrophobicContact CG2-CD1 4.43Å; I530-I540 HydrophobicContact CG2-CG1 4.13Å; Q537-I540 HydrophobicContact CB-CB 4.15Å; Q537-I540 HydrophobicContact CB-CD1 4.39Å; Q537-I540 HydrophobicContact CG-CB 4.14Å; Q537-I540 HydrophobicContact CG-CD1 4.11Å; Q537-I540 WeakPolarHBondContact O-CB 3.39Å; Q537-I540 PolarHBondContact O-N 3.35Å; Q538-I540 VanDerWaalsContact C-N 3.35Å; I540-R542 PolarHBondContact O-N 3.31Å; I540-I573 HydrophobicContact CD1-CG1 3.98Å; I540-A577 HydrophobicContact CD1-CB 3.64Å; I540-A577 HydrophobicContact CG1-CB 4.33Å; I540-L641 HydrophobicContact CG2-CD1 4.14Å; I540-L641 HydrophobicContact CG2-CD2 4.18Å; I540-L641 HydrophobicContact CG2-CG 4.49Å; I540-N648 HydrophobicContact CG2-CB 4.44Å; I540-M650 HydrophobicContact CG2-CB 4.47Å; I540-M650 HydrophobicContact CG2-CG 3.99Å; I540-M650 WeakPolarHBondContact O-CE 3.48Å; I540-M650 WeakPolarHBondContact O-CG 3.44Å
541	F	96.8	Very high	93.1	Very high	1 Å²	1	59 Å²	59	0%	0.004	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-21.5	-165.8	-59	-74	0	0	0	117.5	I530 A577 L580 K581 F637 L641 L655 C658 F659	I530-F541 HydrophobicContact CD1-CE1 4.07Å; I530-F541 HydrophobicContact CD1-CE2 4.4Å; I530-F541 HydrophobicContact CD1-CZ 3.58Å; I530-F541 HydrophobicContact CG2-CE2 4.43Å; F541-A577 HydrophobicContact CD1-CB 3.63Å; F541-A577 WeakPolarHBondContact CD1-O 3.41Å; F541-A577 HydrophobicContact CE1-CB 3.63Å; F541-A577 WeakPolarHBondContact CE1-O 3.22Å; F541-A577 HydrophobicContact CG-CB 4.2Å; F541-A577 HydrophobicContact CZ-CB 4.2Å; F541-L580 HydrophobicContact CE1-CB 4.36Å; F541-L580 HydrophobicContact CE1-CD2 4.04Å; F541-L580 HydrophobicContact CZ-CD2 3.91Å; F541-K581 HydrophobicContact CB-CD 4.37Å; F541-K581 HydrophobicContact CD1-CD 3.91Å; F541-K581 HydrophobicContact CD1-CG 3.86Å; F541-K581 HydrophobicContact CE1-CG 4.35Å; F541-K581 PolarHBondContact O-NZ 2.88Å; F541-F637 AromaticContact CE2-CE1 4Å; F541-F637 HydrophobicContact CE2-CE1 4Å; F541-F637 HydrophobicContact CE2-CZ 4.16Å; F541-F637 AromaticContact CZ-CE1 3.94Å; F541-F637 HydrophobicContact CZ-CE1 3.94Å; F541-F637 HydrophobicContact CZ-CZ 4.27Å; F541-L641 HydrophobicContact CD2-CD2 3.8Å; F541-L641 HydrophobicContact CE2-CD2 3.53Å; F541-L655 HydrophobicContact CD2-CD2 4.2Å; F541-C658 HydrophobicContact CB-CB 4.22Å; F541-F659 HydrophobicContact CB-CE2 4.23Å; F541-F659 AromaticContact CD1-CE2 3.72Å; F541-F659 HydrophobicContact CD1-CE2 3.72Å; F541-F659 AromaticContact CD1-CZ 3.7Å; F541-F659 HydrophobicContact CD1-CZ 3.7Å; F541-F659 AromaticContact CD2-CE2 3.91Å; F541-F659 HydrophobicContact CD2-CE2 3.91Å; F541-F659 HydrophobicContact CD2-CZ 4.44Å; F541-F659 HydrophobicContact CE1-CE2 4.01Å; F541-F659 AromaticContact CE1-CZ 3.61Å; F541-F659 HydrophobicContact CE1-CZ 3.61Å; F541-F659 HydrophobicContact CE2-CE2 4.18Å; F541-F659 HydrophobicContact CE2-CZ 4.35Å; F541-F659 AromaticContact CG-CE2 3.67Å; F541-F659 HydrophobicContact CG-CE2 3.67Å; F541-F659 HydrophobicContact CG-CZ 4.14Å; F541-F659 HydrophobicContact CZ-CE2 4.23Å; F541-F659 AromaticContact CZ-CZ 3.95Å; F541-F659 HydrophobicContact CZ-CZ 3.95Å
542	R	95.1	Very high	93.1	Very high	133 Å²	133	62.6 Å²	62.6	50%	0.502	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.2	173.9	-172.8	179.2	70.3	-168.3	-0.5	112	G539 I540 M650	G539-R542 CarbonylContact O-C 3.57Å; G539-R542 WeakPolarHBondContact O-CA 3.31Å; G539-R542 WeakPolarHBondContact O-CB 3.48Å; G539-R542 PolarHBondContact O-N 3Å; I540-R542 PolarHBondContact O-N 3.31Å; R542-M650 HydrophobicContact CB-CE 4.03Å; R542-M650 HydrophobicContact CB-SD 3.76Å
543	V	93.7	Very high	93.2	Very high	61 Å²	61	59.1 Å²	59.1	37%	0.37	30%	0.302	S	S	.	.	S	Bend	trans	-74	134.4	174.9	178.1	0	0	0	0	109.7	G539 N574	G539-V543 PolarHBondContact O-N 3.14Å; V543-N574 HydrophobicContact CG1-CB 4.44Å
544	P	90.7	Very high	93.3	Very high	107 Å²	107	55.5 Å²	55.5	70%	0.695	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-83.2	125.1	175	31.8	-32.2	0	0	0	111.5
545	G	90.8	Very high	93.3	Very high	8 Å²	8	58.4 Å²	58.4	8%	0.082	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.9	172	170.2	0	0	0	0	0	114.7	Q547 D572 N574	G545-Q547 PolarHBondContact O-N 3.35Å; G545-Q547 PolarHBondContact O-NE2 3.45Å; G545-D572 WeakPolarHBondContact CA-OD2 3.27Å; G545-N574 VanDerWaalsContact CA-C 3.48Å; G545-N574 PolarHBondContact N-O 2.94Å
546	S	93.5	Very high	93.1	Very high	58 Å²	58	58.2 Å²	58.2	41%	0.406	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58.9	117.7	-178.7	176.6	0	0	0	0	111.8	V548 E549 V550 S575	S546-V548 PolarHBondContact O-N 2.96Å; S546-V548 VanDerWaalsContact O-N 3.16Å; S546-E549 PolarHBondContact O-N 3.33Å; S546-V550 WeakPolarHBondContact O-CB 3.47Å; S546-V550 VanDerWaalsContact O-CG2 3.26Å; S546-V550 WeakPolarHBondContact O-CG2 3.37Å; S546-V550 PolarHBondContact O-N 3.42Å; S546-S575 PolarHBondContact N-OG 3.32Å
547	Q	93	Very high	93.1	Very high	127 Å²	127	52.4 Å²	52.4	59%	0.593	28%	0.276	S	S	*	.	H	α-helix	trans	-65.9	-19.8	-177	-63	-58.1	-76.5	0	0	113.7	G545 N551	G545-Q547 PolarHBondContact O-N 3.35Å; G545-Q547 PolarHBondContact O-NE2 3.45Å; Q547-N551 PolarHBondContact O-ND2 3.03Å
548	V	92.1	Very high	92.7	Very high	101 Å²	101	52.9 Å²	52.9	61%	0.612	28%	0.279	S	S	*	.	H	α-helix	trans	-73.1	-54	172.1	-178.9	0	0	0	0	109.3	S546 V550 N551 D552	S546-V548 PolarHBondContact O-N 2.96Å; S546-V548 VanDerWaalsContact O-N 3.16Å; V548-V550 PolarHBondContact O-N 3.12Å; V548-N551 CarbonylContact O-C 3.57Å; V548-N551 WeakPolarHBondContact O-CA 3.31Å; V548-N551 WeakPolarHBondContact O-CB 3.48Å; V548-N551 PolarHBondContact O-N 2.96Å; V548-D552 PolarHBondContact O-N 2.93Å
549	E	93	Very high	92.2	Very high	32 Å²	32	53.5 Å²	53.5	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-37.6	-177.1	-173	-176.1	-165	0	0	113.1	S546 N551 D552 I553 R571 D572 S575	S546-E549 PolarHBondContact O-N 3.33Å; E549-N551 PolarHBondContact O-N 2.95Å; E549-D552 PolarHBondContact O-N 3.41Å; E549-D552 VanDerWaalsContact O-N 3.12Å; E549-I553 HydrophobicContact CG-CD1 3.85Å; E549-I553 HydrophobicContact CG-CG1 4.28Å; E549-I553 WeakPolarHBondContact O-CB 3.22Å; E549-I553 WeakPolarHBondContact O-CG1 3.37Å; E549-I553 PolarHBondContact O-N 2.85Å; E549-R571 WeakPolarHBondContact OE1-CA 3.28Å; E549-D572 PolarHBondContact OE1-N 3.27Å; E549-D572 VanDerWaalsContact OE2-CB 3.27Å; E549-D572 WeakPolarHBondContact OE2-CB 3.37Å; E549-S575 VanDerWaalsContact OE2-CB 3.3Å; E549-S575 WeakPolarHBondContact OE2-CB 3.42Å; E549-S575 PolarHBondContact OE2-OG 2.93Å
550	V	94	Very high	91.6	Very high	6 Å²	6	56 Å²	56	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-54.6	-41.7	170.1	168.7	0	0	0	0	110.6	S546 V548 K554 V579 L582	S546-V550 WeakPolarHBondContact O-CB 3.47Å; S546-V550 VanDerWaalsContact O-CG2 3.26Å; S546-V550 WeakPolarHBondContact O-CG2 3.37Å; S546-V550 PolarHBondContact O-N 3.42Å; V548-V550 PolarHBondContact O-N 3.12Å; V550-K554 WeakPolarHBondContact O-CB 3.39Å; V550-K554 PolarHBondContact O-N 2.68Å; V550-K554 VanDerWaalsContact O-N 3.09Å; V550-V579 HydrophobicContact CB-CG2 4.3Å; V550-V579 HydrophobicContact CG1-CG2 3.98Å; V550-V579 WeakPolarHBondContact O-CG2 3.44Å; V550-L582 HydrophobicContact CG1-CD2 3.85Å
551	N	92.9	Very high	91.1	Very high	74 Å²	74	60.5 Å²	60.5	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-72.6	-39.1	175.6	-80.6	-70.8	0	0	0	112	Q547 V548 E549 K554 N555	Q547-N551 PolarHBondContact O-ND2 3.03Å; V548-N551 CarbonylContact O-C 3.57Å; V548-N551 WeakPolarHBondContact O-CA 3.31Å; V548-N551 WeakPolarHBondContact O-CB 3.48Å; V548-N551 PolarHBondContact O-N 2.96Å; E549-N551 PolarHBondContact O-N 2.95Å; N551-K554 PolarHBondContact O-N 2.77Å; N551-N555 WeakPolarHBondContact O-CB 3.37Å; N551-N555 PolarHBondContact O-N 2.83Å; N551-N555 PolarHBondContact O-ND2 2.95Å
552	D	92.6	Very high	90.7	Very high	87 Å²	87	61.7 Å²	61.7	47%	0.465	33%	0.329	S	S	.	.	H	α-helix	trans	-66.5	-42.2	179.8	-67.3	-31.7	0	0	0	112.8	V548 E549 S556	V548-D552 PolarHBondContact O-N 2.93Å; E549-D552 PolarHBondContact O-N 3.41Å; E549-D552 VanDerWaalsContact O-N 3.12Å; D552-S556 WeakPolarHBondContact O-CB 3.47Å; D552-S556 PolarHBondContact O-N 3.48Å; D552-S556 VanDerWaalsContact O-N 3.09Å; D552-S556 PolarHBondContact O-OG 3.07Å
553	I	93.7	Very high	90.4	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-49.3	172.9	-65.8	170.1	0	0	0	109.6	E549 N555 S556 F557 P563 R571 V576 V579	E549-I553 HydrophobicContact CG-CD1 3.85Å; E549-I553 HydrophobicContact CG-CG1 4.28Å; E549-I553 WeakPolarHBondContact O-CB 3.22Å; E549-I553 WeakPolarHBondContact O-CG1 3.37Å; E549-I553 PolarHBondContact O-N 2.85Å; I553-N555 PolarHBondContact O-N 3.2Å; I553-S556 WeakPolarHBondContact O-CB 3.16Å; I553-S556 PolarHBondContact O-N 2.94Å; I553-F557 HydrophobicContact CG2-CD2 3.91Å; I553-F557 HydrophobicContact CG2-CE2 3.69Å; I553-F557 WeakPolarHBondContact O-CD2 3.15Å; I553-F557 PolarHBondContact O-N 2.79Å; I553-F557 VanDerWaalsContact O-N 3.08Å; I553-P563 HydrophobicContact CB-CG 4.38Å; I553-P563 HydrophobicContact CG2-CG 3.78Å; I553-R571 HydrophobicContact CD1-CB 4.37Å; I553-R571 HydrophobicContact CD1-CG 4.39Å; I553-V576 HydrophobicContact CD1-CG2 4.14Å; I553-V579 HydrophobicContact CB-CG2 3.9Å; I553-V579 HydrophobicContact CG2-CB 4.31Å; I553-V579 HydrophobicContact CG2-CG1 4.11Å; I553-V579 HydrophobicContact CG2-CG2 3.76Å
554	K	92.8	Very high	90.2	Very high	30 Å²	30	53.5 Å²	53.5	13%	0.13	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-45	177.1	178	-104.6	174	-157.6	0	112.5	F504 V550 N551 S556 F557 E558 L582	F504-K554 HydrophobicContact CD1-CG 3.86Å; F504-K554 HydrophobicContact CD2-CG 3.86Å; F504-K554 HydrophobicContact CE1-CB 4.41Å; F504-K554 HydrophobicContact CE1-CG 3.59Å; F504-K554 HydrophobicContact CE2-CB 4.34Å; F504-K554 HydrophobicContact CE2-CG 3.61Å; F504-K554 HydrophobicContact CG-CG 3.99Å; F504-K554 HydrophobicContact CZ-CB 4.02Å; F504-K554 HydrophobicContact CZ-CG 3.46Å; F504-K554 VanDerWaalsContact CZ-CG 3.46Å; V550-K554 WeakPolarHBondContact O-CB 3.39Å; V550-K554 PolarHBondContact O-N 2.68Å; V550-K554 VanDerWaalsContact O-N 3.09Å; N551-K554 PolarHBondContact O-N 2.77Å; K554-S556 PolarHBondContact O-N 2.96Å; K554-F557 PolarHBondContact O-N 3.31Å; K554-E558 VanDerWaalsContact CE-CD 3.49Å; K554-E558 VanDerWaalsContact CE-OE1 3.25Å; K554-E558 WeakPolarHBondContact CE-OE1 3.44Å; K554-E558 IonicContact NZ-OE1 3.87Å; K554-E558 PolarHBondContact NZ-OE1 3.43Å; K554-E558 IonicContact NZ-OE2 3.66Å; K554-E558 PolarHBondContact NZ-OE2 3.4Å; K554-E558 PolarHBondContact O-N 3.46Å; K554-L582 HydrophobicContact CB-CD2 4.43Å; K554-L582 HydrophobicContact CG-CD2 4.1Å
555	N	91.4	Very high	89.8	Confident	61 Å²	61	52.3 Å²	52.3	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-23.3	177.9	-70.4	-23.8	0	0	0	112.5	N551 I553 R559	N551-N555 WeakPolarHBondContact O-CB 3.37Å; N551-N555 PolarHBondContact O-N 2.83Å; N551-N555 PolarHBondContact O-ND2 2.95Å; I553-N555 PolarHBondContact O-N 3.2Å; N555-R559 VanDerWaalsContact C-NH1 3.3Å; N555-R559 WeakPolarHBondContact O-CG 3.46Å; N555-R559 PolarHBondContact O-N 2.76Å; N555-R559 PolarHBondContact O-NH1 2.84Å
556	S	88.9	Confident	88.8	Confident	16 Å²	16	56.6 Å²	56.6	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-79.6	-45.2	176.9	-55.1	0	0	0	0	111.2	D552 I553 K554 E558 R559 G560 E561	D552-S556 WeakPolarHBondContact O-CB 3.47Å; D552-S556 PolarHBondContact O-N 3.48Å; D552-S556 VanDerWaalsContact O-N 3.09Å; D552-S556 PolarHBondContact O-OG 3.07Å; I553-S556 WeakPolarHBondContact O-CB 3.16Å; I553-S556 PolarHBondContact O-N 2.94Å; K554-S556 PolarHBondContact O-N 2.96Å; S556-E558 VanDerWaalsContact C-N 3.26Å; S556-E558 PolarHBondContact O-N 2.94Å; S556-R559 WeakPolarHBondContact O-CB 3.39Å; S556-R559 PolarHBondContact O-N 3.12Å; S556-R559 PolarHBondContact OG-NH1 3.3Å; S556-R559 PolarHBondContact OG-NH2 2.68Å; S556-G560 PolarHBondContact O-N 2.97Å; S556-E561 CarbonylContact C-O 3.59Å; S556-E561 PolarHBondContact O-N 2.97Å; S556-E561 VanDerWaalsContact O-N 3.14Å
557	F	91.2	Very high	87.3	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-35.9	168	-75.6	-62.6	0	0	0	112.7	L503 F504 L521 V522 I553 K554 R559 G560 E561 D562 P563 L564 V579	L503-F557 HydrophobicContact CD2-CB 3.73Å; L503-F557 WeakPolarHBondContact CD2-O 3.43Å; F504-F557 HydrophobicContact CE2-CB 4.16Å; L521-F557 HydrophobicContact CG-CE1 4.5Å; V522-F557 HydrophobicContact CB-CB 4.38Å; V522-F557 HydrophobicContact CB-CD1 3.96Å; V522-F557 HydrophobicContact CB-CD2 4.17Å; V522-F557 HydrophobicContact CB-CE1 4.22Å; V522-F557 HydrophobicContact CB-CE2 4.41Å; V522-F557 HydrophobicContact CB-CG 3.93Å; V522-F557 HydrophobicContact CB-CZ 4.44Å; V522-F557 HydrophobicContact CG2-CB 4.41Å; V522-F557 HydrophobicContact CG2-CD1 4.37Å; V522-F557 HydrophobicContact CG2-CD2 3.66Å; V522-F557 HydrophobicContact CG2-CE2 3.9Å; V522-F557 HydrophobicContact CG2-CG 3.92Å; V522-F557 HydrophobicContact CG2-CZ 4.36Å; I553-F557 HydrophobicContact CG2-CD2 3.91Å; I553-F557 HydrophobicContact CG2-CE2 3.69Å; I553-F557 WeakPolarHBondContact O-CD2 3.15Å; I553-F557 PolarHBondContact O-N 2.79Å; I553-F557 VanDerWaalsContact O-N 3.08Å; K554-F557 PolarHBondContact O-N 3.31Å; F557-R559 VanDerWaalsContact C-N 3.28Å; F557-R559 PolarHBondContact O-N 2.71Å; F557-G560 PolarHBondContact O-N 2.91Å; F557-E561 WeakPolarHBondContact CA-O 3.43Å; F557-E561 WeakPolarHBondContact CD1-O 3.37Å; F557-E561 PolarHBondContact N-O 3.43Å; F557-D562 HydrophobicContact CE1-CB 4.21Å; F557-D562 WeakPolarHBondContact CE1-OD1 3.47Å; F557-D562 WeakPolarHBondContact CZ-OD1 3.26Å; F557-P563 HydrophobicContact CD2-CG 4.09Å; F557-P563 HydrophobicContact CE2-CG 3.84Å; F557-P563 HydrophobicContact CZ-CG 4.15Å; F557-L564 HydrophobicContact CE2-CD1 4.2Å; F557-L564 HydrophobicContact CE2-CG 4.46Å; F557-L564 HydrophobicContact CZ-CD1 4.05Å; F557-L564 HydrophobicContact CZ-CG 4.23Å; F557-V579 HydrophobicContact CD2-CG1 4.4Å
558	E	87.3	Confident	85.2	Confident	77 Å²	77	59.7 Å²	59.7	36%	0.36	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	172.9	-77.9	-172.3	156.2	0	0	114.9	F504 K554 S556 G560	F504-E558 HydrophobicContact CD2-CG 3.72Å; F504-E558 HydrophobicContact CE2-CG 4.33Å; K554-E558 VanDerWaalsContact CE-CD 3.49Å; K554-E558 VanDerWaalsContact CE-OE1 3.25Å; K554-E558 WeakPolarHBondContact CE-OE1 3.44Å; K554-E558 IonicContact NZ-OE1 3.87Å; K554-E558 PolarHBondContact NZ-OE1 3.43Å; K554-E558 IonicContact NZ-OE2 3.66Å; K554-E558 PolarHBondContact NZ-OE2 3.4Å; K554-E558 PolarHBondContact O-N 3.46Å; S556-E558 VanDerWaalsContact C-N 3.26Å; S556-E558 PolarHBondContact O-N 2.94Å; E558-G560 VanDerWaalsContact C-N 3.32Å
559	R	84.4	Confident	83.5	Confident	134 Å²	134	58 Å²	58	51%	0.506	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.8	169.8	-67.4	-173.8	-53.5	-85.3	8	112.9	N555 S556 F557 E561	N555-R559 VanDerWaalsContact C-NH1 3.3Å; N555-R559 WeakPolarHBondContact O-CG 3.46Å; N555-R559 PolarHBondContact O-N 2.76Å; N555-R559 PolarHBondContact O-NH1 2.84Å; S556-R559 WeakPolarHBondContact O-CB 3.39Å; S556-R559 PolarHBondContact O-N 3.12Å; S556-R559 PolarHBondContact OG-NH1 3.3Å; S556-R559 PolarHBondContact OG-NH2 2.68Å; F557-R559 VanDerWaalsContact C-N 3.28Å; F557-R559 PolarHBondContact O-N 2.71Å; R559-E561 HydrophobicContact CB-CG 4.28Å; R559-E561 WeakPolarHBondContact CB-OE1 3.26Å; R559-E561 WeakPolarHBondContact CD-OE1 3.28Å; R559-E561 IonicContact CZ-OE1 3.48Å; R559-E561 IonicContact CZ-OE2 2.79Å; R559-E561 VanDerWaalsContact CZ-OE2 3.29Å; R559-E561 IonicContact NE-OE1 3.3Å; R559-E561 PolarHBondContact NE-OE1 3.36Å; R559-E561 IonicContact NE-OE2 2.76Å; R559-E561 PolarHBondContact NE-OE2 3.5Å; R559-E561 VanDerWaalsContact NE-OE2 3.16Å; R559-E561 IonicContact NH2-OE1 2.8Å; R559-E561 IonicContact NH2-OE2 3.48Å; R559-E561 PolarHBondContact NH2-OE2 3.09Å
560	G	81.5	Confident	82.3	Confident	53 Å²	53	65.8 Å²	65.8	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	17.3	-170.5	0	0	0	0	0	113.7	S556 F557 E558	S556-G560 PolarHBondContact O-N 2.97Å; F557-G560 PolarHBondContact O-N 2.91Å; E558-G560 VanDerWaalsContact C-N 3.32Å
561	E	84.6	Confident	81.7	Confident	93 Å²	93	69.3 Å²	69.3	44%	0.435	35%	0.354	S	S	.	.			trans	-95.2	144.7	172.9	-63.7	158.4	-147.7	0	0	109.3	S556 F557 R559 P563	S556-E561 CarbonylContact C-O 3.59Å; S556-E561 PolarHBondContact O-N 2.97Å; S556-E561 VanDerWaalsContact O-N 3.14Å; F557-E561 WeakPolarHBondContact CA-O 3.43Å; F557-E561 WeakPolarHBondContact CD1-O 3.37Å; F557-E561 PolarHBondContact N-O 3.43Å; R559-E561 HydrophobicContact CB-CG 4.28Å; R559-E561 WeakPolarHBondContact CB-OE1 3.26Å; R559-E561 WeakPolarHBondContact CD-OE1 3.28Å; R559-E561 IonicContact CZ-OE1 3.48Å; R559-E561 IonicContact CZ-OE2 2.79Å; R559-E561 VanDerWaalsContact CZ-OE2 3.29Å; R559-E561 IonicContact NE-OE1 3.3Å; R559-E561 PolarHBondContact NE-OE1 3.36Å; R559-E561 IonicContact NE-OE2 2.76Å; R559-E561 PolarHBondContact NE-OE2 3.5Å; R559-E561 VanDerWaalsContact NE-OE2 3.16Å; R559-E561 IonicContact NH2-OE1 2.8Å; R559-E561 IonicContact NH2-OE2 3.48Å; R559-E561 PolarHBondContact NH2-OE2 3.09Å; E561-P563 VanDerWaalsContact O-CD 3.29Å; E561-P563 WeakPolarHBondContact O-CD 3.24Å
562	D	88.3	Confident	81.6	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.144	35%	0.348	C	S	.	.			trans	-99.7	101.2	168.4	-177.1	2.6	0	0	0	110	L521 S525 R528 F557 L564 V565	L521-D562 HydrophobicContact CD2-CB 4.16Å; S525-D562 WeakPolarHBondContact CB-OD2 3.47Å; S525-D562 PolarHBondContact OG-OD2 2.8Å; R528-D562 IonicContact NH2-OD2 3.72Å; F557-D562 HydrophobicContact CE1-CB 4.21Å; F557-D562 WeakPolarHBondContact CE1-OD1 3.47Å; F557-D562 WeakPolarHBondContact CZ-OD1 3.26Å; D562-L564 PolarHBondContact O-N 2.77Å; D562-L564 VanDerWaalsContact O-N 3.17Å; D562-L564 WeakPolarHBondContact OD1-CA 3.4Å; D562-L564 WeakPolarHBondContact OD1-CB 3.34Å; D562-L564 PolarHBondContact OD1-N 3.49Å; D562-V565 HydrophobicContact CB-CB 4.11Å; D562-V565 WeakPolarHBondContact O-CG1 3.25Å; D562-V565 PolarHBondContact O-N 3.44Å
563	P	87.4	Confident	81.7	Confident	21 Å²	21	65 Å²	65	14%	0.136	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	0.4	178.9	33.2	-38.9	0	0	0	114	I553 F557 E561	I553-P563 HydrophobicContact CB-CG 4.38Å; I553-P563 HydrophobicContact CG2-CG 3.78Å; F557-P563 HydrophobicContact CD2-CG 4.09Å; F557-P563 HydrophobicContact CE2-CG 3.84Å; F557-P563 HydrophobicContact CZ-CG 4.15Å; E561-P563 VanDerWaalsContact O-CD 3.29Å; E561-P563 WeakPolarHBondContact O-CD 3.24Å
564	L	89.4	Confident	81.7	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	5.2	-178.7	-51.6	178.7	0	0	0	112.7	C526 R528 Y529 F557 D562 R571 V576	C526-L564 HydrophobicContact CB-CD1 4.37Å; C526-L564 VanDerWaalsContact SG-CD1 3.57Å; R528-L564 PolarHBondContact NH1-O 2.7Å; R528-L564 PolarHBondContact NH2-O 3.11Å; Y529-L564 HydrophobicContact CD2-CB 4.03Å; Y529-L564 HydrophobicContact CD2-CD2 4.14Å; Y529-L564 HydrophobicContact CE2-CD2 4.29Å; Y529-L564 HydrophobicContact CG-CB 4.44Å; Y529-L564 HydrophobicContact CG-CD1 4.43Å; Y529-L564 HydrophobicContact CG-CD2 4.34Å; F557-L564 HydrophobicContact CE2-CD1 4.2Å; F557-L564 HydrophobicContact CE2-CG 4.46Å; F557-L564 HydrophobicContact CZ-CD1 4.05Å; F557-L564 HydrophobicContact CZ-CG 4.23Å; D562-L564 PolarHBondContact O-N 2.77Å; D562-L564 VanDerWaalsContact O-N 3.17Å; D562-L564 WeakPolarHBondContact OD1-CA 3.4Å; D562-L564 WeakPolarHBondContact OD1-CB 3.34Å; D562-L564 PolarHBondContact OD1-N 3.49Å; L564-R571 HydrophobicContact CD2-CB 4.36Å; L564-R571 HydrophobicContact CD2-CG 3.93Å; L564-V576 HydrophobicContact CD1-CG1 3.68Å; L564-V576 HydrophobicContact CD1-CG2 4.28Å; L564-V576 HydrophobicContact CD2-CG2 3.78Å
565	V	82	Confident	81.9	Confident	82 Å²	82	64.1 Å²	64.1	50%	0.497	33%	0.327	S	S	.	.	S	Bend	trans	-70	-35.1	-178.6	72.8	0	0	0	0	112.8	D562	D562-V565 HydrophobicContact CB-CB 4.11Å; D562-V565 WeakPolarHBondContact O-CG1 3.25Å; D562-V565 PolarHBondContact O-N 3.44Å
566	D	70.9	Confident	82.2	Confident	98 Å²	98	61.2 Å²	61.2	52%	0.524	31%	0.312	S	S	.	.	S	Bend	trans	-99.9	114.6	-179.9	-62.4	-48.5	0	0	0	111	Q568 N569	D566-Q568 PolarHBondContact O-N 3.32Å; D566-N569 PolarHBondContact O-N 3.42Å
567	D	61.3	Low	82.5	Confident	90 Å²	90	60.5 Å²	60.5	48%	0.481	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-0.7	178.1	-59	-14.3	0	0	0	114.1	R528 Y533	R528-D567 IonicContact NH1-OD1 3.83Å; Y533-D567 VanDerWaalsContact OH-CB 3.31Å; Y533-D567 WeakPolarHBondContact OH-CB 3.37Å; Y533-D567 PolarHBondContact OH-OD1 3Å; Y533-D567 PolarHBondContact OH-OD2 2.97Å
568	Q	49.4	Very low	82.8	Confident	159 Å²	159	60.8 Å²	60.8	74%	0.743	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.7	178.5	-65.6	-73.6	-25	0	0	113.7	D566	D566-Q568 PolarHBondContact O-N 3.32Å
569	N	55.9	Low	83.3	Confident	65 Å²	65	57.1 Å²	57.1	35%	0.348	30%	0.295	S	S	.	.	S	Bend	trans	-95	101	173.7	-75.7	-85.5	0	0	0	110.1	Y529 D566 R571	Y529-N569 PolarHBondContact OH-O 2.88Å; D566-N569 PolarHBondContact O-N 3.42Å; N569-R571 VanDerWaalsContact C-N 3.27Å; N569-R571 HydrophobicContact CB-CG 4.34Å; N569-R571 PolarHBondContact O-N 2.83Å; N569-R571 PolarHBondContact OD1-NH2 3.12Å
570	E	67.6	Low	83.9	Confident	196 Å²	196	50.8 Å²	50.8	92%	0.916	27%	0.271	S	S	*	.			trans	-64.2	83.6	169.4	-67	-175.4	163.6	0	0	111
571	R	82.3	Confident	84.6	Confident	81 Å²	81	50.4 Å²	50.4	31%	0.306	25%	0.254	S	S	.	.			trans	-84.9	140.9	171	-58.2	-58.1	178.4	-174.6	-10.8	110.1	Y529 E549 I553 L564 N569 I573 V576	Y529-R571 HydrophobicContact CE1-CB 4.45Å; Y529-R571 PolarHBondContact OH-N 3.36Å; Y529-R571 VanDerWaalsContact OH-N 3.11Å; Y529-R571 PolarHBondContact OH-O 3.18Å; E549-R571 WeakPolarHBondContact OE1-CA 3.28Å; I553-R571 HydrophobicContact CD1-CB 4.37Å; I553-R571 HydrophobicContact CD1-CG 4.39Å; L564-R571 HydrophobicContact CD2-CB 4.36Å; L564-R571 HydrophobicContact CD2-CG 3.93Å; N569-R571 VanDerWaalsContact C-N 3.27Å; N569-R571 HydrophobicContact CB-CG 4.34Å; N569-R571 PolarHBondContact O-N 2.83Å; N569-R571 PolarHBondContact OD1-NH2 3.12Å; R571-I573 PolarHBondContact O-N 2.93Å; R571-I573 VanDerWaalsContact O-N 3.1Å; R571-V576 HydrophobicContact CB-CG2 4.01Å
572	D	90.9	Very high	85.1	Confident	53 Å²	53	49 Å²	49	28%	0.283	25%	0.25	S	C	.	.			trans	-59	119.7	171.9	169.5	31.6	0	0	0	109.3	G545 E549 N574 S575 V576	G545-D572 WeakPolarHBondContact CA-OD2 3.27Å; E549-D572 PolarHBondContact OE1-N 3.27Å; E549-D572 VanDerWaalsContact OE2-CB 3.27Å; E549-D572 WeakPolarHBondContact OE2-CB 3.37Å; D572-N574 PolarHBondContact O-N 2.68Å; D572-N574 VanDerWaalsContact O-N 3.16Å; D572-N574 WeakPolarHBondContact OD1-CB 3.13Å; D572-N574 PolarHBondContact OD1-N 2.86Å; D572-N574 PolarHBondContact OD1-ND2 3.41Å; D572-N574 WeakPolarHBondContact OD2-CB 3.4Å; D572-S575 WeakPolarHBondContact O-CA 3.46Å; D572-S575 VanDerWaalsContact O-CB 3.28Å; D572-S575 WeakPolarHBondContact O-CB 3.46Å; D572-S575 PolarHBondContact O-N 3.02Å; D572-S575 PolarHBondContact OD2-N 2.93Å; D572-S575 PolarHBondContact OD2-OG 3.03Å; D572-V576 PolarHBondContact O-N 3.3Å
573	I	93.7	Very high	85.4	Confident	17 Å²	17	47.7 Å²	47.7	9%	0.087	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-28.4	179	-164.8	62.6	0	0	0	111.9	Y529 I530 Q537 I540 R571 A577	Y529-I573 HydrophobicContact CD1-CD1 3.67Å; Y529-I573 HydrophobicContact CE1-CD1 3.77Å; I530-I573 HydrophobicContact CB-CD1 4.48Å; I530-I573 HydrophobicContact CG1-CD1 4.03Å; Q537-I573 HydrophobicContact CB-CG2 4.28Å; Q537-I573 HydrophobicContact CG-CG2 3.64Å; I540-I573 HydrophobicContact CD1-CG1 3.98Å; R571-I573 PolarHBondContact O-N 2.93Å; R571-I573 VanDerWaalsContact O-N 3.1Å; I573-A577 WeakPolarHBondContact O-CB 3.49Å; I573-A577 PolarHBondContact O-N 2.92Å
574	N	95.6	Very high	85.8	Confident	14 Å²	14	46.8 Å²	46.8	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-77.9	-30.8	175.8	-48.7	-85.8	0	0	0	111.5	Q537 V543 G545 D572 G578	Q537-N574 PolarHBondContact NE2-ND2 2.95Å; Q537-N574 PolarHBondContact NE2-OD1 3.17Å; V543-N574 HydrophobicContact CG1-CB 4.44Å; G545-N574 VanDerWaalsContact CA-C 3.48Å; G545-N574 PolarHBondContact N-O 2.94Å; D572-N574 PolarHBondContact O-N 2.68Å; D572-N574 VanDerWaalsContact O-N 3.16Å; D572-N574 WeakPolarHBondContact OD1-CB 3.13Å; D572-N574 PolarHBondContact OD1-N 2.86Å; D572-N574 PolarHBondContact OD1-ND2 3.41Å; D572-N574 WeakPolarHBondContact OD2-CB 3.4Å; N574-G578 PolarHBondContact O-N 3.48Å
575	S	96.4	Very high	86	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-45.5	167.2	-68.1	0	0	0	0	111.1	S546 E549 D572 A577 G578 V579	S546-S575 PolarHBondContact N-OG 3.32Å; E549-S575 VanDerWaalsContact OE2-CB 3.3Å; E549-S575 WeakPolarHBondContact OE2-CB 3.42Å; E549-S575 PolarHBondContact OE2-OG 2.93Å; D572-S575 WeakPolarHBondContact O-CA 3.46Å; D572-S575 VanDerWaalsContact O-CB 3.28Å; D572-S575 WeakPolarHBondContact O-CB 3.46Å; D572-S575 PolarHBondContact O-N 3.02Å; D572-S575 PolarHBondContact OD2-N 2.93Å; D572-S575 PolarHBondContact OD2-OG 3.03Å; S575-A577 PolarHBondContact O-N 3.31Å; S575-G578 CarbonylContact O-C 3.36Å; S575-G578 WeakPolarHBondContact O-CA 3.27Å; S575-G578 PolarHBondContact O-N 2.95Å; S575-V579 WeakPolarHBondContact O-CG2 3.4Å; S575-V579 PolarHBondContact O-N 3.2Å
576	V	96.4	Very high	86.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-46	176	179.5	0	0	0	0	111.4	C526 Y529 I530 I553 L564 R571 D572 G578 V579 L580	C526-V576 HydrophobicContact CB-CG1 3.98Å; Y529-V576 HydrophobicContact CD1-CB 4.22Å; Y529-V576 HydrophobicContact CD1-CG1 4Å; Y529-V576 HydrophobicContact CD1-CG2 3.85Å; Y529-V576 HydrophobicContact CE1-CG2 3.85Å; Y529-V576 HydrophobicContact CG-CG1 4.49Å; I530-V576 HydrophobicContact CD1-CG1 4.14Å; I530-V576 HydrophobicContact CG1-CG1 3.96Å; I553-V576 HydrophobicContact CD1-CG2 4.14Å; L564-V576 HydrophobicContact CD1-CG1 3.68Å; L564-V576 HydrophobicContact CD1-CG2 4.28Å; L564-V576 HydrophobicContact CD2-CG2 3.78Å; R571-V576 HydrophobicContact CB-CG2 4.01Å; D572-V576 PolarHBondContact O-N 3.3Å; V576-G578 PolarHBondContact O-N 2.92Å; V576-V579 PolarHBondContact O-N 2.81Å; V576-V579 VanDerWaalsContact O-N 3.14Å; V576-L580 PolarHBondContact O-N 2.74Å; V576-L580 VanDerWaalsContact O-N 3.1Å
577	A	96.8	Very high	87.3	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-30.2	172.3	0	0	0	0	0	113.2	I530 I540 F541 I573 S575 K581	I530-A577 HydrophobicContact CD1-CB 3.99Å; I540-A577 HydrophobicContact CD1-CB 3.64Å; I540-A577 HydrophobicContact CG1-CB 4.33Å; F541-A577 HydrophobicContact CD1-CB 3.63Å; F541-A577 WeakPolarHBondContact CD1-O 3.41Å; F541-A577 HydrophobicContact CE1-CB 3.63Å; F541-A577 WeakPolarHBondContact CE1-O 3.22Å; F541-A577 HydrophobicContact CG-CB 4.2Å; F541-A577 HydrophobicContact CZ-CB 4.2Å; I573-A577 WeakPolarHBondContact O-CB 3.49Å; I573-A577 PolarHBondContact O-N 2.92Å; S575-A577 PolarHBondContact O-N 3.31Å; A577-K581 WeakPolarHBondContact O-CE 3.21Å; A577-K581 PolarHBondContact O-N 3.24Å
578	G	96.4	Very high	88.6	Confident	15 Å²	15	49.1 Å²	49.1	16%	0.155	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-45.5	170.5	0	0	0	0	0	112.6	N574 S575 V576 K581 L582	N574-G578 PolarHBondContact O-N 3.48Å; S575-G578 CarbonylContact O-C 3.36Å; S575-G578 WeakPolarHBondContact O-CA 3.27Å; S575-G578 PolarHBondContact O-N 2.95Å; V576-G578 PolarHBondContact O-N 2.92Å; G578-K581 PolarHBondContact O-N 2.99Å; G578-L582 WeakPolarHBondContact O-CB 3.3Å; G578-L582 PolarHBondContact O-N 2.87Å
579	V	97.1	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-43.9	179.4	174.3	0	0	0	0	111.9	F504 V522 V550 I553 F557 S575 V576 K581 L582 Y583	F504-V579 HydrophobicContact CE1-CG1 4.48Å; F504-V579 HydrophobicContact CZ-CG1 4.03Å; V522-V579 HydrophobicContact CG2-CG1 4.04Å; V550-V579 HydrophobicContact CB-CG2 4.3Å; V550-V579 HydrophobicContact CG1-CG2 3.98Å; V550-V579 WeakPolarHBondContact O-CG2 3.44Å; I553-V579 HydrophobicContact CB-CG2 3.9Å; I553-V579 HydrophobicContact CG2-CB 4.31Å; I553-V579 HydrophobicContact CG2-CG1 4.11Å; I553-V579 HydrophobicContact CG2-CG2 3.76Å; F557-V579 HydrophobicContact CD2-CG1 4.4Å; S575-V579 WeakPolarHBondContact O-CG2 3.4Å; S575-V579 PolarHBondContact O-N 3.2Å; V576-V579 PolarHBondContact O-N 2.81Å; V576-V579 VanDerWaalsContact O-N 3.14Å; V579-K581 VanDerWaalsContact C-N 3.33Å; V579-K581 PolarHBondContact O-N 2.81Å; V579-L582 WeakPolarHBondContact O-CB 3.41Å; V579-L582 PolarHBondContact O-N 3.15Å; V579-L582 VanDerWaalsContact O-N 3.12Å; V579-Y583 PolarHBondContact O-N 3.3Å
580	L	97.2	Very high	91.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-41.9	178.4	-175	60.8	0	0	0	111.9	V523 C526 I527 I530 F541 V576 F584 F637	V523-L580 HydrophobicContact CB-CD1 4.41Å; V523-L580 HydrophobicContact CG1-CD1 4.34Å; V523-L580 HydrophobicContact CG2-CD1 4.4Å; C526-L580 HydrophobicContact CB-CB 3.98Å; C526-L580 HydrophobicContact CB-CD1 4.13Å; C526-L580 HydrophobicContact CB-CD2 4.47Å; C526-L580 HydrophobicContact CB-CG 4.42Å; I527-L580 HydrophobicContact CD1-CD2 4.44Å; I527-L580 HydrophobicContact CG1-CD1 4.43Å; I527-L580 HydrophobicContact CG1-CD2 3.73Å; I530-L580 HydrophobicContact CD1-CD2 4.33Å; F541-L580 HydrophobicContact CE1-CB 4.36Å; F541-L580 HydrophobicContact CE1-CD2 4.04Å; F541-L580 HydrophobicContact CZ-CD2 3.91Å; V576-L580 PolarHBondContact O-N 2.74Å; V576-L580 VanDerWaalsContact O-N 3.1Å; L580-F584 HydrophobicContact CD1-CD2 4.31Å; L580-F584 HydrophobicContact CD1-CE2 3.69Å; L580-F584 HydrophobicContact CG-CD2 4.5Å; L580-F584 HydrophobicContact CG-CE2 4.19Å; L580-F584 VanDerWaalsContact O-CD2 3.29Å; L580-F584 WeakPolarHBondContact O-CD2 3.49Å; L580-F584 PolarHBondContact O-N 2.62Å; L580-F637 HydrophobicContact CD2-CE1 4.41Å
581	K	96.1	Very high	93	Very high	45 Å²	45	34.7 Å²	34.7	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-40	172.8	-69.3	-175.8	-63	173.4	0	112.4	F541 A577 G578 V579 Y583 F584 R585 F659 T662	F541-K581 HydrophobicContact CB-CD 4.37Å; F541-K581 HydrophobicContact CD1-CD 3.91Å; F541-K581 HydrophobicContact CD1-CG 3.86Å; F541-K581 HydrophobicContact CE1-CG 4.35Å; F541-K581 PolarHBondContact O-NZ 2.88Å; A577-K581 WeakPolarHBondContact O-CE 3.21Å; A577-K581 PolarHBondContact O-N 3.24Å; G578-K581 PolarHBondContact O-N 2.99Å; V579-K581 VanDerWaalsContact C-N 3.33Å; V579-K581 PolarHBondContact O-N 2.81Å; K581-Y583 VanDerWaalsContact C-N 3.26Å; K581-Y583 PolarHBondContact O-N 3.01Å; K581-F584 PolarHBondContact O-N 3.21Å; K581-R585 VanDerWaalsContact O-CB 3.25Å; K581-R585 WeakPolarHBondContact O-CB 3.39Å; K581-R585 PolarHBondContact O-N 3.27Å; K581-F659 HydrophobicContact CG-CE1 4.19Å; K581-F659 HydrophobicContact CG-CZ 4.11Å; K581-T662 HydrophobicContact CB-CG2 3.95Å; K581-T662 HydrophobicContact CG-CG2 4.21Å; K581-T662 WeakPolarHBondContact O-CG2 3.43Å
582	L	95.1	Very high	93.5	Very high	64 Å²	64	30.9 Å²	30.9	34%	0.335	15%	0.153	S	C	.	.	H	α-helix	trans	-62.2	-34.8	178.3	-179.2	61.4	0	0	0	111.9	F504 V550 K554 G578 V579 G586	F504-L582 HydrophobicContact CD1-CG 4.41Å; F504-L582 HydrophobicContact CE1-CG 4.31Å; V550-L582 HydrophobicContact CG1-CD2 3.85Å; K554-L582 HydrophobicContact CB-CD2 4.43Å; K554-L582 HydrophobicContact CG-CD2 4.1Å; G578-L582 WeakPolarHBondContact O-CB 3.3Å; G578-L582 PolarHBondContact O-N 2.87Å; V579-L582 WeakPolarHBondContact O-CB 3.41Å; V579-L582 PolarHBondContact O-N 3.15Å; V579-L582 VanDerWaalsContact O-N 3.12Å; L582-G586 PolarHBondContact O-N 3.36Å
583	Y	95.7	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-61.4	173.8	-179.8	-102.7	0	0	0	111.4	L503 F504 M508 P520 V522 V523 V579 K581 R585 G586 L587	L503-Y583 HydrophobicContact CD1-CE2 3.72Å; L503-Y583 HydrophobicContact CG-CE2 4.04Å; L503-Y583 VanDerWaalsContact O-CE2 3.29Å; L503-Y583 WeakPolarHBondContact O-CE2 3.33Å; F504-Y583 HydrophobicContact CD1-CD2 4.16Å; F504-Y583 HydrophobicContact CE1-CD2 4.11Å; F504-Y583 HydrophobicContact CE1-CG 4.49Å; F504-Y583 HydrophobicContact CG-CD2 4.43Å; F504-Y583 HydrophobicContact CZ-CD2 4.33Å; M508-Y583 HydrophobicContact SD-CE1 4.44Å; P520-Y583 HydrophobicContact CG-CE1 4.44Å; P520-Y583 WeakPolarHBondContact CG-OH 3.34Å; V522-Y583 HydrophobicContact CG1-CD1 4.3Å; V522-Y583 HydrophobicContact CG1-CD2 3.44Å; V522-Y583 VanDerWaalsContact CG1-CD2 3.44Å; V522-Y583 HydrophobicContact CG1-CE1 4.42Å; V522-Y583 HydrophobicContact CG1-CE2 3.57Å; V522-Y583 HydrophobicContact CG1-CG 3.83Å; V523-Y583 HydrophobicContact CG2-CD1 3.49Å; V523-Y583 VanDerWaalsContact CG2-CD1 3.49Å; V523-Y583 HydrophobicContact CG2-CE1 3.43Å; V523-Y583 VanDerWaalsContact CG2-CE1 3.43Å; V523-Y583 HydrophobicContact CG2-CG 4.45Å; V579-Y583 PolarHBondContact O-N 3.3Å; K581-Y583 VanDerWaalsContact C-N 3.26Å; K581-Y583 PolarHBondContact O-N 3.01Å; Y583-R585 PolarHBondContact O-N 3.09Å; Y583-G586 PolarHBondContact O-N 3.28Å; Y583-L587 HydrophobicContact CE1-CD2 4.01Å; Y583-L587 HydrophobicContact CE2-CD2 4.17Å; Y583-L587 PolarHBondContact O-N 2.94Å
584	F	95.5	Very high	93.1	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-42.1	-176.2	-71	-65.9	0	0	0	113.4	V523 L580 K581 G586 L587 L591 V630 L634 T662 L663	V523-F584 HydrophobicContact CB-CZ 4.41Å; V523-F584 HydrophobicContact CG1-CE2 4.36Å; V523-F584 HydrophobicContact CG1-CZ 3.83Å; V523-F584 HydrophobicContact CG2-CE1 4.18Å; V523-F584 HydrophobicContact CG2-CE2 4.17Å; V523-F584 HydrophobicContact CG2-CZ 3.64Å; L580-F584 HydrophobicContact CD1-CD2 4.31Å; L580-F584 HydrophobicContact CD1-CE2 3.69Å; L580-F584 HydrophobicContact CG-CD2 4.5Å; L580-F584 HydrophobicContact CG-CE2 4.19Å; L580-F584 VanDerWaalsContact O-CD2 3.29Å; L580-F584 WeakPolarHBondContact O-CD2 3.49Å; L580-F584 PolarHBondContact O-N 2.62Å; K581-F584 PolarHBondContact O-N 3.21Å; F584-G586 PolarHBondContact O-N 3.19Å; F584-L587 HydrophobicContact CD1-CD1 4.15Å; F584-L587 PolarHBondContact O-N 3.34Å; F584-L591 HydrophobicContact CD1-CD1 4.33Å; F584-L591 HydrophobicContact CD1-CD2 4.23Å; F584-L591 HydrophobicContact CE1-CD1 4.18Å; F584-L591 HydrophobicContact CE1-CD2 4.17Å; F584-V630 HydrophobicContact CE1-CG1 3.83Å; F584-V630 HydrophobicContact CZ-CG1 4.09Å; F584-L634 HydrophobicContact CD2-CD2 4.29Å; F584-L634 HydrophobicContact CE1-CD2 4.34Å; F584-L634 HydrophobicContact CE2-CD1 3.92Å; F584-L634 HydrophobicContact CE2-CD2 3.81Å; F584-L634 HydrophobicContact CE2-CG 4.42Å; F584-L634 HydrophobicContact CZ-CD1 4.35Å; F584-L634 HydrophobicContact CZ-CD2 3.84Å; F584-L634 HydrophobicContact CZ-CG 4.48Å; F584-T662 CarbonylContact C-O 3.53Å; F584-T662 HydrophobicContact CB-CG2 4.11Å; F584-L663 HydrophobicContact CB-CD2 3.66Å; F584-L663 HydrophobicContact CD1-CD2 4.22Å; F584-L663 HydrophobicContact CD2-CD2 4.22Å; F584-L663 HydrophobicContact CG-CD2 3.79Å
585	R	93.9	Very high	92.7	Very high	168 Å²	168	39.3 Å²	39.3	63%	0.634	19%	0.192	S	C	*	.	H	α-helix	trans	-63.6	-27.1	174.7	-175.1	178.5	178.6	-165	-0.1	112.5	K581 Y583 T662	K581-R585 VanDerWaalsContact O-CB 3.25Å; K581-R585 WeakPolarHBondContact O-CB 3.39Å; K581-R585 PolarHBondContact O-N 3.27Å; Y583-R585 PolarHBondContact O-N 3.09Å; R585-T662 WeakPolarHBondContact CA-O 3.47Å; R585-T662 HydrophobicContact CB-CG2 4.22Å; R585-T662 PolarHBondContact N-O 2.93Å
586	G	89.4	Confident	92.4	Very high	12 Å²	12	43.2 Å²	43.2	12%	0.124	21%	0.206	C	C	.	.	H	α-helix	trans	-81.8	-15.4	-177.2	0	0	0	0	0	114.8	N505 L582 Y583 F584	N505-G586 WeakPolarHBondContact CA-O 3.45Å; N505-G586 PolarHBondContact N-O 3.1Å; N505-G586 WeakPolarHBondContact ND2-CA 3.18Å; N505-G586 PolarHBondContact ND2-O 3.44Å; L582-G586 PolarHBondContact O-N 3.36Å; Y583-G586 PolarHBondContact O-N 3.28Å; F584-G586 PolarHBondContact O-N 3.19Å
587	L	91.2	Very high	92	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	21%	0.207	C	C	.	.			trans	-59.6	143.8	-171.9	-64.1	-180	0	0	0	113.3	M508 Y583 F584 N589	M508-L587 HydrophobicContact CB-CD1 4.33Å; M508-L587 HydrophobicContact CB-CD2 4.08Å; M508-L587 HydrophobicContact SD-CD1 4.25Å; Y583-L587 HydrophobicContact CE1-CD2 4.01Å; Y583-L587 HydrophobicContact CE2-CD2 4.17Å; Y583-L587 PolarHBondContact O-N 2.94Å; F584-L587 HydrophobicContact CD1-CD1 4.15Å; F584-L587 PolarHBondContact O-N 3.34Å; L587-N589 VanDerWaalsContact CB-O 3.26Å; L587-N589 WeakPolarHBondContact CB-O 3.49Å
588	E	87.9	Confident	91.6	Very high	131 Å²	131	47.9 Å²	47.9	61%	0.612	23%	0.228	S	C	*	.	S	Bend	trans	-62.1	-44.9	176.5	-178.6	175.1	-165	0	0	111.5	G506 S507	G506-E588 PolarHBondContact O-N 3.18Å; S507-E588 WeakPolarHBondContact CB-OE2 3.13Å; S507-E588 PolarHBondContact N-OE2 2.99Å
589	N	86.8	Confident	91.4	Very high	95 Å²	95	49.7 Å²	49.7	51%	0.508	23%	0.234	S	C	.	.	S	Bend	trans	-106.3	117.5	165.7	-67.5	-25.8	0	0	0	107.9	L587	L587-N589 VanDerWaalsContact CB-O 3.26Å; L587-N589 WeakPolarHBondContact CB-O 3.49Å
590	P	88.6	Confident	91.1	Very high	19 Å²	19	49.7 Å²	49.7	12%	0.123	23%	0.234	C	C	.	.			trans	-61.7	154.2	177.4	-22.8	34.7	0	0	0	112	F592 H665	P590-F592 CarbonylContact O-C 3.55Å; P590-F592 PolarHBondContact O-N 3.19Å; P590-H665 HydrophobicContact CG-CB 4.33Å; P590-H665 VanDerWaalsContact CG-ND1 3.28Å; P590-H665 WeakPolarHBondContact CG-ND1 3.21Å
591	L	90.1	Very high	90.8	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	24%	0.238	C	C	.	.	S	Bend	trans	-58.1	-38.4	-175.3	-160.7	72.1	0	0	0	111.8	M508 F584 V627 V630 M631 L634 L663	M508-L591 HydrophobicContact CE-CD1 3.77Å; M508-L591 HydrophobicContact SD-CD1 4.46Å; F584-L591 HydrophobicContact CD1-CD1 4.33Å; F584-L591 HydrophobicContact CD1-CD2 4.23Å; F584-L591 HydrophobicContact CE1-CD1 4.18Å; F584-L591 HydrophobicContact CE1-CD2 4.17Å; L591-V627 HydrophobicContact CD1-CG1 4.01Å; L591-V627 HydrophobicContact CG-CG1 4.45Å; L591-V630 HydrophobicContact CD1-CG1 4.35Å; L591-M631 HydrophobicContact CD1-CG 4.34Å; L591-M631 HydrophobicContact CD2-CG 3.82Å; L591-M631 HydrophobicContact CG-CE 3.94Å; L591-M631 HydrophobicContact CG-CG 3.9Å; L591-M631 WeakPolarHBondContact O-CE 3.47Å; L591-L634 HydrophobicContact CD2-CD2 3.97Å; L591-L663 HydrophobicContact CB-CD2 4.38Å; L591-L663 HydrophobicContact CD2-CD2 3.96Å
592	F	92.4	Very high	90.5	Very high	2 Å²	2	51 Å²	51	1%	0.009	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-99.7	110.8	163.3	-61.6	-86.1	0	0	0	109.7	P590 L600 L620 M631 F635 L663 M664 I683 I686	P590-F592 CarbonylContact O-C 3.55Å; P590-F592 PolarHBondContact O-N 3.19Å; F592-L600 HydrophobicContact CB-CD1 4.32Å; F592-L600 HydrophobicContact CD1-CD1 3.73Å; F592-L600 HydrophobicContact CG-CD1 4.34Å; F592-L620 HydrophobicContact CD1-CD2 3.89Å; F592-L620 HydrophobicContact CE1-CD1 4.25Å; F592-L620 HydrophobicContact CE1-CD2 3.69Å; F592-M631 HydrophobicContact CD1-CE 3.62Å; F592-M631 HydrophobicContact CD2-CE 4.35Å; F592-M631 HydrophobicContact CE1-CE 3.53Å; F592-M631 HydrophobicContact CE1-SD 4.21Å; F592-M631 HydrophobicContact CE2-CE 4.26Å; F592-M631 HydrophobicContact CG-CE 4.05Å; F592-M631 HydrophobicContact CZ-CE 3.87Å; F592-M631 HydrophobicContact CZ-SD 4.42Å; F592-F635 HydrophobicContact CE2-CE2 4.1Å; F592-F635 AromaticContact CE2-CZ 3.94Å; F592-F635 HydrophobicContact CE2-CZ 3.94Å; F592-F635 AromaticContact CZ-CE2 3.73Å; F592-F635 HydrophobicContact CZ-CE2 3.73Å; F592-F635 AromaticContact CZ-CZ 3.74Å; F592-F635 HydrophobicContact CZ-CZ 3.74Å; F592-L663 HydrophobicContact CD2-CB 3.73Å; F592-L663 HydrophobicContact CE2-CB 3.8Å; F592-L663 HydrophobicContact CE2-CD1 4.1Å; F592-L663 PolarHBondContact N-O 3.38Å; F592-L663 VanDerWaalsContact N-O 3.13Å; F592-M664 HydrophobicContact CB-CB 4.21Å; F592-M664 HydrophobicContact CB-CE 4.34Å; F592-M664 HydrophobicContact CB-CG 4.07Å; F592-M664 HydrophobicContact CD1-CE 4.38Å; F592-M664 HydrophobicContact CD2-CB 4.28Å; F592-M664 HydrophobicContact CD2-CE 4.26Å; F592-M664 HydrophobicContact CG-CE 4.07Å; F592-I683 HydrophobicContact CD2-CD1 4.1Å; F592-I683 HydrophobicContact CE2-CD1 3.41Å; F592-I683 VanDerWaalsContact CE2-CD1 3.41Å; F592-I683 HydrophobicContact CZ-CD1 3.79Å; F592-I686 HydrophobicContact CE1-CD1 3.76Å; F592-I686 HydrophobicContact CZ-CD1 3.72Å
593	P	89.3	Confident	90.3	Very high	34 Å²	34	48.1 Å²	48.1	22%	0.221	23%	0.232	C	C	.	.			trans	-62.7	146.2	-178.6	-23.8	34.6	0	0	0	113	E595 R596 L623	P593-E595 WeakPolarHBondContact CB-OE2 3.41Å; P593-E595 PolarHBondContact O-N 2.98Å; P593-E595 VanDerWaalsContact O-N 3.12Å; P593-R596 PolarHBondContact O-N 2.86Å; P593-L623 HydrophobicContact CG-CD2 3.82Å
594	K	86.4	Confident	90.1	Very high	79 Å²	79	49.5 Å²	49.5	34%	0.343	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-57.5	-30.6	-178.4	-77.4	-171.1	171.3	-174.4	0	112.1	R596 F597 D668	K594-R596 PolarHBondContact O-N 3.05Å; K594-F597 WeakPolarHBondContact O-CB 3.49Å; K594-F597 PolarHBondContact O-N 2.78Å; K594-D668 IonicContact NZ-OD2 2.69Å; K594-D668 PolarHBondContact NZ-OD2 2.81Å
595	E	88.3	Confident	89.6	Confident	148 Å²	148	57.4 Å²	57.4	69%	0.692	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-64.4	-28.5	179.7	-59.8	65.3	-141.2	0	0	112	P593	P593-E595 WeakPolarHBondContact CB-OE2 3.41Å; P593-E595 PolarHBondContact O-N 2.98Å; P593-E595 VanDerWaalsContact O-N 3.12Å
596	R	88.9	Confident	89.3	Confident	82 Å²	82	51.9 Å²	51.9	31%	0.309	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-94.5	-3.7	177.6	-65.3	-51.7	-165.8	-169.3	-1.3	114	P593 K594 Q598 D599 L600 I619 T622 L623	P593-R596 PolarHBondContact O-N 2.86Å; K594-R596 PolarHBondContact O-N 3.05Å; R596-Q598 VanDerWaalsContact C-N 3.35Å; R596-Q598 PolarHBondContact O-N 2.88Å; R596-D599 WeakPolarHBondContact CD-OD2 3.39Å; R596-D599 IonicContact CZ-OD2 3.61Å; R596-D599 IonicContact NE-OD2 3.31Å; R596-D599 IonicContact NH1-OD2 3.66Å; R596-D599 PolarHBondContact NH1-OD2 2.89Å; R596-D599 PolarHBondContact O-N 3.13Å; R596-L600 HydrophobicContact CB-CD1 4.25Å; R596-L600 WeakPolarHBondContact O-CB 3.21Å; R596-L600 WeakPolarHBondContact O-CG 3.27Å; R596-L600 PolarHBondContact O-N 2.88Å; R596-I619 HydrophobicContact CB-CG2 4.18Å; R596-I619 HydrophobicContact CG-CG2 4.18Å; R596-T622 PolarHBondContact NE-OG1 2.87Å; R596-T622 PolarHBondContact NH2-OG1 3.47Å; R596-L623 HydrophobicContact CG-CD2 4.37Å
597	F	89.2	Confident	89	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-48.9	-178.7	-173.2	-91.7	0	0	0	111.8	K594 D599 L600 I601 M664 I666 P667 C675 I679	K594-F597 WeakPolarHBondContact O-CB 3.49Å; K594-F597 PolarHBondContact O-N 2.78Å; F597-D599 PolarHBondContact O-N 3.36Å; F597-L600 PolarHBondContact O-N 3.07Å; F597-I601 HydrophobicContact CD1-CG1 4.05Å; F597-I601 HydrophobicContact CE1-CD1 4.48Å; F597-I601 HydrophobicContact CE1-CG1 3.8Å; F597-I601 HydrophobicContact CE2-CG1 4.41Å; F597-I601 HydrophobicContact CG-CG1 4.45Å; F597-I601 HydrophobicContact CZ-CD1 4.22Å; F597-I601 HydrophobicContact CZ-CG1 4Å; F597-I601 WeakPolarHBondContact O-CB 3.49Å; F597-I601 WeakPolarHBondContact O-CG1 3.47Å; F597-I601 PolarHBondContact O-N 3.19Å; F597-M664 HydrophobicContact CD2-CG 3.76Å; F597-M664 HydrophobicContact CD2-SD 3.78Å; F597-M664 HydrophobicContact CE2-CG 4.04Å; F597-M664 HydrophobicContact CE2-SD 3.91Å; F597-I666 HydrophobicContact CE2-CG1 4.14Å; F597-I666 HydrophobicContact CZ-CB 4.46Å; F597-I666 HydrophobicContact CZ-CG1 4.16Å; F597-I666 HydrophobicContact CZ-CG2 4.35Å; F597-P667 HydrophobicContact CB-CG 3.82Å; F597-P667 HydrophobicContact CD1-CG 3.68Å; F597-P667 HydrophobicContact CD2-CG 4.31Å; F597-P667 HydrophobicContact CE1-CG 4.31Å; F597-P667 VanDerWaalsContact CG-CD 3.44Å; F597-P667 HydrophobicContact CG-CG 3.68Å; F597-C675 HydrophobicContact CZ-CB 4.23Å; F597-I679 HydrophobicContact CE2-CD1 3.77Å; F597-I679 HydrophobicContact CE2-CG1 3.94Å; F597-I679 HydrophobicContact CZ-CD1 3.98Å; F597-I679 HydrophobicContact CZ-CG1 4.16Å
598	Q	88.9	Confident	88.9	Confident	96 Å²	96	63.1 Å²	63.1	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-70.7	-33.6	-175.8	-166.1	56	79.3	0	0	112.8	R596 S602 Q670	R596-Q598 VanDerWaalsContact C-N 3.35Å; R596-Q598 PolarHBondContact O-N 2.88Å; Q598-S602 WeakPolarHBondContact O-CB 3.42Å; Q598-S602 PolarHBondContact O-N 3.1Å; Q598-S602 VanDerWaalsContact O-N 3.16Å; Q598-Q670 VanDerWaalsContact OE1-NE2 3.09Å
599	D	90.8	Very high	88.8	Confident	54 Å²	54	60.6 Å²	60.6	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-53.8	173.3	-59.2	-20.8	0	0	0	109.8	R596 F597 I601 S602 I619	R596-D599 WeakPolarHBondContact CD-OD2 3.39Å; R596-D599 IonicContact CZ-OD2 3.61Å; R596-D599 IonicContact NE-OD2 3.31Å; R596-D599 IonicContact NH1-OD2 3.66Å; R596-D599 PolarHBondContact NH1-OD2 2.89Å; R596-D599 PolarHBondContact O-N 3.13Å; F597-D599 PolarHBondContact O-N 3.36Å; D599-I601 PolarHBondContact O-N 2.97Å; D599-S602 WeakPolarHBondContact O-CB 3.34Å; D599-S602 PolarHBondContact O-N 3.03Å; D599-S602 VanDerWaalsContact O-N 3.1Å; D599-S602 PolarHBondContact O-OG 3.06Å; D599-I619 HydrophobicContact CB-CD1 3.78Å; D599-I619 HydrophobicContact CB-CG1 4.1Å; D599-I619 HydrophobicContact CB-CG2 4.42Å
600	L	91.1	Very high	88.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-46.3	-178.3	-70.9	167.5	0	0	0	112.3	F592 R596 F597 S602 T603 I619 L620 M664 V682	F592-L600 HydrophobicContact CB-CD1 4.32Å; F592-L600 HydrophobicContact CD1-CD1 3.73Å; F592-L600 HydrophobicContact CG-CD1 4.34Å; R596-L600 HydrophobicContact CB-CD1 4.25Å; R596-L600 WeakPolarHBondContact O-CB 3.21Å; R596-L600 WeakPolarHBondContact O-CG 3.27Å; R596-L600 PolarHBondContact O-N 2.88Å; F597-L600 PolarHBondContact O-N 3.07Å; L600-S602 PolarHBondContact O-N 3.41Å; L600-T603 WeakPolarHBondContact O-CB 3.4Å; L600-T603 PolarHBondContact O-N 3.4Å; L600-T603 VanDerWaalsContact O-N 3.16Å; L600-T603 PolarHBondContact O-OG1 3.23Å; L600-I619 HydrophobicContact CD2-CB 4.27Å; L600-I619 HydrophobicContact CD2-CD1 4.07Å; L600-I619 HydrophobicContact CD2-CG2 3.87Å; L600-I619 HydrophobicContact CG-CD1 4.46Å; L600-I619 HydrophobicContact CG-CG2 4.07Å; L600-L620 HydrophobicContact CD2-CD2 4.25Å; L600-M664 HydrophobicContact CD1-CE 4Å; L600-V682 HydrophobicContact CB-CG1 4.43Å; L600-V682 HydrophobicContact CD2-CG1 4.42Å
601	I	90.8	Very high	89	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.082	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-25.5	178.2	-63.8	-70.5	0	0	0	111.5	F597 D599 T603 I604 H678 I679	F597-I601 HydrophobicContact CD1-CG1 4.05Å; F597-I601 HydrophobicContact CE1-CD1 4.48Å; F597-I601 HydrophobicContact CE1-CG1 3.8Å; F597-I601 HydrophobicContact CE2-CG1 4.41Å; F597-I601 HydrophobicContact CG-CG1 4.45Å; F597-I601 HydrophobicContact CZ-CD1 4.22Å; F597-I601 HydrophobicContact CZ-CG1 4Å; F597-I601 WeakPolarHBondContact O-CB 3.49Å; F597-I601 WeakPolarHBondContact O-CG1 3.47Å; F597-I601 PolarHBondContact O-N 3.19Å; D599-I601 PolarHBondContact O-N 2.97Å; I601-T603 VanDerWaalsContact C-N 3.34Å; I601-T603 PolarHBondContact O-N 3.49Å; I601-I604 HydrophobicContact CD1-CD1 4.22Å; I601-I604 HydrophobicContact CG2-CD1 4.42Å; I601-I604 WeakPolarHBondContact O-CD1 3.38Å; I601-H678 HydrophobicContact CD1-CB 3.67Å; I601-H678 HydrophobicContact CG2-CB 4.22Å; I601-I679 HydrophobicContact CD1-CG1 3.84Å
602	S	90.1	Very high	89	Confident	56 Å²	56	64.7 Å²	64.7	39%	0.392	33%	0.327	S	S	.	.	H	α-helix	trans	-68.4	-31	175.3	82.3	0	0	0	0	113.2	Q598 D599 L600 I604 K605	Q598-S602 WeakPolarHBondContact O-CB 3.42Å; Q598-S602 PolarHBondContact O-N 3.1Å; Q598-S602 VanDerWaalsContact O-N 3.16Å; D599-S602 WeakPolarHBondContact O-CB 3.34Å; D599-S602 PolarHBondContact O-N 3.03Å; D599-S602 VanDerWaalsContact O-N 3.1Å; D599-S602 PolarHBondContact O-OG 3.06Å; L600-S602 PolarHBondContact O-N 3.41Å; S602-I604 PolarHBondContact O-N 3.42Å; S602-I604 VanDerWaalsContact O-N 3.15Å; S602-K605 WeakPolarHBondContact O-CB 3.4Å; S602-K605 PolarHBondContact O-N 2.78Å; S602-K605 VanDerWaalsContact O-N 3.11Å
603	T	92	Very high	89.1	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.018	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-62.6	-24.8	-176.2	69.8	0	0	0	0	113.4	L600 I601 K605 L606 Q615 I616 I619	L600-T603 WeakPolarHBondContact O-CB 3.4Å; L600-T603 PolarHBondContact O-N 3.4Å; L600-T603 VanDerWaalsContact O-N 3.16Å; L600-T603 PolarHBondContact O-OG1 3.23Å; I601-T603 VanDerWaalsContact C-N 3.34Å; I601-T603 PolarHBondContact O-N 3.49Å; T603-K605 PolarHBondContact O-N 3.03Å; T603-L606 VanDerWaalsContact O-CB 3.24Å; T603-L606 WeakPolarHBondContact O-CB 3.37Å; T603-L606 WeakPolarHBondContact O-CG 3.48Å; T603-L606 PolarHBondContact O-N 3.08Å; T603-L606 VanDerWaalsContact O-N 3.09Å; T603-Q615 HydrophobicContact CG2-CB 4.03Å; T603-I616 HydrophobicContact CG2-CG1 3.98Å; T603-I619 HydrophobicContact CG2-CD1 3.72Å
604	I	89.6	Confident	89.2	Confident	30 Å²	30	68.2 Å²	68.2	15%	0.154	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-67.9	-25.5	-179.2	-48.8	159.3	0	0	0	111.3	I601 S602 L606 R612 H678 E681 V682	I601-I604 HydrophobicContact CD1-CD1 4.22Å; I601-I604 HydrophobicContact CG2-CD1 4.42Å; I601-I604 WeakPolarHBondContact O-CD1 3.38Å; S602-I604 PolarHBondContact O-N 3.42Å; S602-I604 VanDerWaalsContact O-N 3.15Å; I604-L606 PolarHBondContact O-N 2.89Å; I604-R612 PolarHBondContact O-NH2 2.81Å; I604-H678 HydrophobicContact CD1-CB 3.39Å; I604-H678 WeakPolarHBondContact CD1-O 3.48Å; I604-E681 HydrophobicContact CG2-CB 4.49Å; I604-E681 HydrophobicContact CG2-CG 4.15Å; I604-V682 HydrophobicContact CD1-CG2 3.7Å; I604-V682 HydrophobicContact CG1-CG2 3.61Å
605	K	85.3	Confident	89.5	Confident	166 Å²	166	69 Å²	69	72%	0.722	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-72	-6.7	175.4	-58.8	178.4	-179.6	178.8	0	113	S602 T603	S602-K605 WeakPolarHBondContact O-CB 3.4Å; S602-K605 PolarHBondContact O-N 2.78Å; S602-K605 VanDerWaalsContact O-N 3.11Å; T603-K605 PolarHBondContact O-N 3.03Å
606	L	87.4	Confident	89.8	Confident	52 Å²	52	62 Å²	62	27%	0.272	31%	0.314	S	S	.	.			trans	-83.8	119.3	172.8	-54.7	169.8	0	0	0	108.5	T603 I604 R612 Q615	T603-L606 VanDerWaalsContact O-CB 3.24Å; T603-L606 WeakPolarHBondContact O-CB 3.37Å; T603-L606 WeakPolarHBondContact O-CG 3.48Å; T603-L606 PolarHBondContact O-N 3.08Å; T603-L606 VanDerWaalsContact O-N 3.09Å; I604-L606 PolarHBondContact O-N 2.89Å; L606-R612 HydrophobicContact CB-CB 4.44Å; L606-R612 PolarHBondContact O-NE 2.84Å; L606-R612 PolarHBondContact O-NH2 3.23Å; L606-Q615 HydrophobicContact CD1-CB 4.08Å; L606-Q615 HydrophobicContact CD1-CG 3.75Å
607	E	84.2	Confident	90.1	Very high	190 Å²	190	61.2 Å²	61.2	89%	0.888	31%	0.314	S	S	*	.	S	Bend	trans	-72.3	-32	179.4	-62.6	-176.3	169.6	0	0	111.9	P609	E607-P609 WeakPolarHBondContact O-CD 3.49Å
608	N	88.4	Confident	90.2	Very high	67 Å²	67	65.4 Å²	65.4	36%	0.358	33%	0.333	S	S	.	.			trans	-78.3	117.4	177	-177.6	-5.5	0	0	0	111.3	A610 E611 R612	N608-A610 VanDerWaalsContact C-N 3.31Å; N608-A610 PolarHBondContact O-N 2.88Å; N608-A610 PolarHBondContact OD1-N 3.28Å; N608-E611 HydrophobicContact CB-CB 4.11Å; N608-E611 HydrophobicContact CB-CG 4.15Å; N608-E611 PolarHBondContact ND2-OE1 3.23Å; N608-E611 PolarHBondContact O-N 2.9Å; N608-R612 PolarHBondContact O-N 3.08Å
609	P	86.4	Confident	90.4	Very high	78 Å²	78	61.7 Å²	61.7	51%	0.506	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-33.8	179.1	-23.2	35	0	0	0	113.9	E607 R612 V613	E607-P609 WeakPolarHBondContact O-CD 3.49Å; P609-R612 WeakPolarHBondContact O-CB 3.23Å; P609-R612 PolarHBondContact O-N 3.39Å; P609-V613 WeakPolarHBondContact O-CG2 3.4Å; P609-V613 PolarHBondContact O-N 2.99Å
610	A	88.2	Confident	90.5	Very high	66 Å²	66	59.3 Å²	59.3	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-69.3	-40.4	-179.4	0	0	0	0	0	111.8	N608 V613 H614	N608-A610 VanDerWaalsContact C-N 3.31Å; N608-A610 PolarHBondContact O-N 2.88Å; N608-A610 PolarHBondContact OD1-N 3.28Å; A610-V613 PolarHBondContact O-N 3.16Å; A610-H614 WeakPolarHBondContact O-CB 3.49Å; A610-H614 PolarHBondContact O-N 3.42Å
611	E	90.6	Very high	90.5	Very high	104 Å²	104	63.3 Å²	63.3	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-65.8	-39.1	172.4	-73.3	168.2	-132	0	0	111.6	N608 H614 Q615	N608-E611 HydrophobicContact CB-CB 4.11Å; N608-E611 HydrophobicContact CB-CG 4.15Å; N608-E611 PolarHBondContact ND2-OE1 3.23Å; N608-E611 PolarHBondContact O-N 2.9Å; E611-H614 PolarHBondContact O-N 3.3Å; E611-Q615 WeakPolarHBondContact O-CB 3.46Å; E611-Q615 VanDerWaalsContact O-CG 3.26Å; E611-Q615 WeakPolarHBondContact O-CG 3.26Å; E611-Q615 PolarHBondContact O-N 3.41Å
612	R	91.7	Very high	90.5	Very high	33 Å²	33	66.1 Å²	66.1	13%	0.125	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-48.7	174.2	-173.6	-174	-58.6	173.5	3.6	111.5	I604 L606 N608 P609 Q615 I616 E681 T685	I604-R612 PolarHBondContact O-NH2 2.81Å; L606-R612 HydrophobicContact CB-CB 4.44Å; L606-R612 PolarHBondContact O-NE 2.84Å; L606-R612 PolarHBondContact O-NH2 3.23Å; N608-R612 PolarHBondContact O-N 3.08Å; P609-R612 WeakPolarHBondContact O-CB 3.23Å; P609-R612 PolarHBondContact O-N 3.39Å; R612-Q615 PolarHBondContact O-N 3.23Å; R612-I616 HydrophobicContact CG-CD1 4.03Å; R612-I616 VanDerWaalsContact O-CG1 3.29Å; R612-I616 WeakPolarHBondContact O-CG1 3.41Å; R612-I616 PolarHBondContact O-N 3.5Å; R612-E681 IonicContact NH1-OE1 2.74Å; R612-E681 PolarHBondContact NH1-OE1 3.35Å; R612-T685 HydrophobicContact CG-CG2 4.38Å
613	V	93.4	Very high	90.6	Very high	17 Å²	17	64.2 Å²	64.2	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-57.9	-47.7	175.9	163.2	0	0	0	0	111.1	P609 A610 I616 Q617 T685 H689 A692 I693	P609-V613 WeakPolarHBondContact O-CG2 3.4Å; P609-V613 PolarHBondContact O-N 2.99Å; A610-V613 PolarHBondContact O-N 3.16Å; V613-I616 PolarHBondContact O-N 3.12Å; V613-Q617 WeakPolarHBondContact O-CB 3.33Å; V613-Q617 PolarHBondContact O-N 3.03Å; V613-T685 HydrophobicContact CG2-CG2 4.12Å; V613-H689 HydrophobicContact CG1-CB 4.44Å; V613-H689 HydrophobicContact CG2-CB 3.77Å; V613-A692 HydrophobicContact CG1-CB 3.94Å; V613-I693 HydrophobicContact CG1-CD1 4.48Å; V613-I693 HydrophobicContact CG1-CG1 3.89Å
614	H	92	Very high	90.5	Very high	94 Å²	94	66.9 Å²	66.9	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-40.9	179	-175.3	61.2	0	0	0	112.8	A610 E611 Q617 Q618	A610-H614 WeakPolarHBondContact O-CB 3.49Å; A610-H614 PolarHBondContact O-N 3.42Å; E611-H614 PolarHBondContact O-N 3.3Å; H614-Q617 PolarHBondContact ND1-OE1 3.03Å; H614-Q617 VanDerWaalsContact ND1-OE1 3.16Å; H614-Q617 WeakPolarHBondContact O-CB 3.4Å; H614-Q617 PolarHBondContact O-N 3.2Å; H614-Q618 PolarHBondContact CE1-NE2 2.98Å; H614-Q618 WeakPolarHBondContact O-CG 3.37Å; H614-Q618 PolarHBondContact O-N 2.96Å
615	Q	92.8	Very high	90.6	Very high	95 Å²	95	74.2 Å²	74.2	44%	0.444	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-37.3	176.9	-70	-71.5	-2.7	0	0	112.2	T603 L606 E611 R612 Q618 I619	T603-Q615 HydrophobicContact CG2-CB 4.03Å; L606-Q615 HydrophobicContact CD1-CB 4.08Å; L606-Q615 HydrophobicContact CD1-CG 3.75Å; E611-Q615 WeakPolarHBondContact O-CB 3.46Å; E611-Q615 VanDerWaalsContact O-CG 3.26Å; E611-Q615 WeakPolarHBondContact O-CG 3.26Å; E611-Q615 PolarHBondContact O-N 3.41Å; R612-Q615 PolarHBondContact O-N 3.23Å; Q615-Q618 PolarHBondContact O-N 2.65Å; Q615-I619 WeakPolarHBondContact O-CD1 3.49Å; Q615-I619 VanDerWaalsContact O-CG1 3.32Å; Q615-I619 WeakPolarHBondContact O-CG1 3.49Å; Q615-I619 PolarHBondContact O-N 3.02Å
616	I	94.4	Very high	90.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-45.6	171.3	-68.9	169.5	0	0	0	110.3	T603 R612 V613 Q618 I619 L620 T685 I686 I693	T603-I616 HydrophobicContact CG2-CG1 3.98Å; R612-I616 HydrophobicContact CG-CD1 4.03Å; R612-I616 VanDerWaalsContact O-CG1 3.29Å; R612-I616 WeakPolarHBondContact O-CG1 3.41Å; R612-I616 PolarHBondContact O-N 3.5Å; V613-I616 PolarHBondContact O-N 3.12Å; I616-Q618 PolarHBondContact O-N 2.69Å; I616-I619 PolarHBondContact O-N 3.23Å; I616-I619 VanDerWaalsContact O-N 3.13Å; I616-L620 HydrophobicContact CG2-CD1 3.81Å; I616-L620 HydrophobicContact CG2-CG 4.14Å; I616-L620 WeakPolarHBondContact O-CG 3.41Å; I616-L620 PolarHBondContact O-N 2.96Å; I616-T685 HydrophobicContact CD1-CG2 3.8Å; I616-I686 HydrophobicContact CG2-CD1 4.09Å; I616-I686 HydrophobicContact CG2-CG1 3.85Å; I616-I693 HydrophobicContact CG2-CD1 4.21Å; I616-I693 HydrophobicContact CG2-CG2 4Å
617	Q	94.3	Very high	91.1	Very high	66 Å²	66	66.7 Å²	66.7	31%	0.308	34%	0.344	S	S	.	.	H	α-helix	trans	-56.3	-46.5	174.3	179.8	-169.2	60.9	0	0	111.9	V613 H614 I619 L620 V621 A692	V613-Q617 WeakPolarHBondContact O-CB 3.33Å; V613-Q617 PolarHBondContact O-N 3.03Å; H614-Q617 PolarHBondContact ND1-OE1 3.03Å; H614-Q617 VanDerWaalsContact ND1-OE1 3.16Å; H614-Q617 WeakPolarHBondContact O-CB 3.4Å; H614-Q617 PolarHBondContact O-N 3.2Å; Q617-I619 VanDerWaalsContact C-N 3.28Å; Q617-I619 PolarHBondContact O-N 3.04Å; Q617-L620 PolarHBondContact O-N 2.91Å; Q617-V621 WeakPolarHBondContact O-CB 3.29Å; Q617-V621 WeakPolarHBondContact O-CG1 3.29Å; Q617-V621 PolarHBondContact O-N 2.69Å; Q617-A692 PolarHBondContact NE2-O 2.97Å
618	Q	92.9	Very high	91.5	Very high	91 Å²	91	58 Å²	58	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-28.4	176.9	-67	-50.8	-56.8	0	0	113.5	H614 Q615 I616	H614-Q618 PolarHBondContact CE1-NE2 2.98Å; H614-Q618 WeakPolarHBondContact O-CG 3.37Å; H614-Q618 PolarHBondContact O-N 2.96Å; Q615-Q618 PolarHBondContact O-N 2.65Å; I616-Q618 PolarHBondContact O-N 2.69Å
619	I	92.9	Very high	91.8	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.092	29%	0.289	C	S	.	.	H	α-helix	trans	-75.9	-49.6	173.2	-64.9	159.8	0	0	0	110.4	R596 D599 L600 T603 Q615 I616 Q617 V621 T622	R596-I619 HydrophobicContact CB-CG2 4.18Å; R596-I619 HydrophobicContact CG-CG2 4.18Å; D599-I619 HydrophobicContact CB-CD1 3.78Å; D599-I619 HydrophobicContact CB-CG1 4.1Å; D599-I619 HydrophobicContact CB-CG2 4.42Å; L600-I619 HydrophobicContact CD2-CB 4.27Å; L600-I619 HydrophobicContact CD2-CD1 4.07Å; L600-I619 HydrophobicContact CD2-CG2 3.87Å; L600-I619 HydrophobicContact CG-CD1 4.46Å; L600-I619 HydrophobicContact CG-CG2 4.07Å; T603-I619 HydrophobicContact CG2-CD1 3.72Å; Q615-I619 WeakPolarHBondContact O-CD1 3.49Å; Q615-I619 VanDerWaalsContact O-CG1 3.32Å; Q615-I619 WeakPolarHBondContact O-CG1 3.49Å; Q615-I619 PolarHBondContact O-N 3.02Å; I616-I619 PolarHBondContact O-N 3.23Å; I616-I619 VanDerWaalsContact O-N 3.13Å; Q617-I619 VanDerWaalsContact C-N 3.28Å; Q617-I619 PolarHBondContact O-N 3.04Å; I619-V621 PolarHBondContact O-N 2.62Å; I619-T622 WeakPolarHBondContact O-CB 3.4Å; I619-T622 PolarHBondContact O-N 3.31Å; I619-T622 PolarHBondContact O-OG1 3.13Å
620	L	92.9	Very high	92.1	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-28.3	-172.5	-61	-175	0	0	0	113.4	F592 L600 I616 Q617 T622 L623 I628 M631 I686 I693 F694	F592-L620 HydrophobicContact CD1-CD2 3.89Å; F592-L620 HydrophobicContact CE1-CD1 4.25Å; F592-L620 HydrophobicContact CE1-CD2 3.69Å; L600-L620 HydrophobicContact CD2-CD2 4.25Å; I616-L620 HydrophobicContact CG2-CD1 3.81Å; I616-L620 HydrophobicContact CG2-CG 4.14Å; I616-L620 WeakPolarHBondContact O-CG 3.41Å; I616-L620 PolarHBondContact O-N 2.96Å; Q617-L620 PolarHBondContact O-N 2.91Å; L620-T622 PolarHBondContact O-N 3.06Å; L620-T622 VanDerWaalsContact O-N 3.15Å; L620-L623 HydrophobicContact CB-CD1 4.5Å; L620-L623 HydrophobicContact CD2-CD1 3.72Å; L620-L623 WeakPolarHBondContact O-CB 3.5Å; L620-L623 WeakPolarHBondContact O-CG 3.18Å; L620-L623 PolarHBondContact O-N 3.49Å; L620-I628 WeakPolarHBondContact O-CD1 3.47Å; L620-M631 HydrophobicContact CD1-SD 4.35Å; L620-M631 HydrophobicContact CD2-CE 4.34Å; L620-M631 HydrophobicContact CD2-SD 4.35Å; L620-I686 HydrophobicContact CD1-CD1 4.22Å; L620-I693 HydrophobicContact CD1-CG2 3.76Å; L620-F694 HydrophobicContact CD1-CE1 3.88Å; L620-F694 HydrophobicContact CD1-CZ 4.08Å
621	V	89.8	Confident	92.5	Very high	84 Å²	84	48.4 Å²	48.4	51%	0.509	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.4	173.1	76	0	0	0	0	113.2	Q617 I619 L623	Q617-V621 WeakPolarHBondContact O-CB 3.29Å; Q617-V621 WeakPolarHBondContact O-CG1 3.29Å; Q617-V621 PolarHBondContact O-N 2.69Å; I619-V621 PolarHBondContact O-N 2.62Å; V621-L623 VanDerWaalsContact C-N 3.32Å
622	T	90.9	Very high	92.7	Very high	75 Å²	75	44.2 Å²	44.2	46%	0.46	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.6	172.8	73.7	0	0	0	0	114.1	R596 I619 L620	R596-T622 PolarHBondContact NE-OG1 2.87Å; R596-T622 PolarHBondContact NH2-OG1 3.47Å; I619-T622 WeakPolarHBondContact O-CB 3.4Å; I619-T622 PolarHBondContact O-N 3.31Å; I619-T622 PolarHBondContact O-OG1 3.13Å; L620-T622 PolarHBondContact O-N 3.06Å; L620-T622 VanDerWaalsContact O-N 3.15Å
623	L	91.5	Very high	92.9	Very high	15 Å²	15	43 Å²	43	8%	0.079	22%	0.215	C	C	.	.	S	Bend	trans	-79.6	156.7	178.6	-59.3	179.9	0	0	0	111.6	P593 R596 L620 V621 R625 V627 I628 M631	P593-L623 HydrophobicContact CG-CD2 3.82Å; R596-L623 HydrophobicContact CG-CD2 4.37Å; L620-L623 HydrophobicContact CB-CD1 4.5Å; L620-L623 HydrophobicContact CD2-CD1 3.72Å; L620-L623 WeakPolarHBondContact O-CB 3.5Å; L620-L623 WeakPolarHBondContact O-CG 3.18Å; L620-L623 PolarHBondContact O-N 3.49Å; V621-L623 VanDerWaalsContact C-N 3.32Å; L623-R625 PolarHBondContact O-N 3.11Å; L623-V627 HydrophobicContact CD1-CG1 4.3Å; L623-I628 HydrophobicContact CB-CD1 4.48Å; L623-I628 HydrophobicContact CB-CG1 4.09Å; L623-I628 WeakPolarHBondContact O-CD1 3.45Å; L623-M631 HydrophobicContact CD1-CE 3.5Å; L623-M631 VanDerWaalsContact CD1-CE 3.5Å; L623-M631 HydrophobicContact CD1-SD 4.02Å
624	P	91.8	Very high	93.1	Very high	60 Å²	60	42.2 Å²	42.2	39%	0.39	21%	0.21	S	C	.	.			trans	-58.5	136.5	175.2	-28.9	40.5	0	0	0	112	E509 V626 V627 I628	E509-P624 WeakPolarHBondContact OE1-CB 3.34Å; E509-P624 VanDerWaalsContact OE1-CG 3.26Å; E509-P624 WeakPolarHBondContact OE1-CG 2.75Å; P624-V626 HydrophobicContact CB-CG2 4.47Å; P624-V626 PolarHBondContact O-N 2.93Å; P624-V627 HydrophobicContact CB-CG2 4.36Å; P624-V627 WeakPolarHBondContact O-CA 3.29Å; P624-V627 WeakPolarHBondContact O-CB 3.33Å; P624-V627 PolarHBondContact O-N 3.34Å; P624-I628 PolarHBondContact O-N 3.5Å
625	R	90.6	Very high	93.3	Very high	184 Å²	184	37.8 Å²	37.8	69%	0.694	19%	0.189	S	C	*	.	H	α-helix	trans	-49.9	-38	-173	-73.4	-175.1	175.3	-144.5	-3.8	114.2	L623 I628 V629 L700	L623-R625 PolarHBondContact O-N 3.11Å; R625-I628 PolarHBondContact O-N 3.33Å; R625-V629 WeakPolarHBondContact O-CG2 3.45Å; R625-V629 PolarHBondContact O-N 3.12Å; R625-L700 HydrophobicContact CB-CD1 4.13Å; R625-L700 HydrophobicContact CG-CD1 4.04Å
626	V	90.3	Very high	93.5	Very high	48 Å²	48	33.9 Å²	33.9	29%	0.291	17%	0.174	S	C	.	.	H	α-helix	trans	-61.8	-40.4	176.5	-108.5	0	0	0	0	112.8	E509 I512 P624 V629 V630	E509-V626 HydrophobicContact CG-CG2 4.25Å; I512-V626 HydrophobicContact CB-CG1 4.26Å; I512-V626 HydrophobicContact CD1-CB 4.3Å; I512-V626 HydrophobicContact CD1-CG1 3.94Å; I512-V626 HydrophobicContact CG2-CG1 3.52Å; P624-V626 HydrophobicContact CB-CG2 4.47Å; P624-V626 PolarHBondContact O-N 2.93Å; V626-V629 PolarHBondContact O-N 2.91Å; V626-V630 WeakPolarHBondContact O-CG2 3.49Å; V626-V630 PolarHBondContact O-N 3.46Å
627	V	92.2	Very high	93.7	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-41	174.7	179.7	0	0	0	0	110.3	M508 E509 L591 L623 P624 V629 V630 M631	M508-V627 HydrophobicContact CE-CB 4.46Å; M508-V627 HydrophobicContact CE-CG2 4.03Å; E509-V627 HydrophobicContact CG-CG2 4.23Å; E509-V627 WeakPolarHBondContact OE1-CG2 3.29Å; L591-V627 HydrophobicContact CD1-CG1 4.01Å; L591-V627 HydrophobicContact CG-CG1 4.45Å; L623-V627 HydrophobicContact CD1-CG1 4.3Å; P624-V627 HydrophobicContact CB-CG2 4.36Å; P624-V627 WeakPolarHBondContact O-CA 3.29Å; P624-V627 WeakPolarHBondContact O-CB 3.33Å; P624-V627 PolarHBondContact O-N 3.34Å; V627-V629 PolarHBondContact O-N 3.38Å; V627-V630 PolarHBondContact O-N 3.34Å; V627-M631 HydrophobicContact CG1-CE 4Å; V627-M631 HydrophobicContact CG1-CG 4.38Å; V627-M631 HydrophobicContact CG1-SD 4.49Å; V627-M631 WeakPolarHBondContact O-CB 3.47Å; V627-M631 WeakPolarHBondContact O-CG 3.4Å; V627-M631 PolarHBondContact O-N 3.1Å
628	I	93.7	Very high	93.8	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-40.8	178	-57.4	176.7	0	0	0	111.5	L620 L623 P624 R625 M631 R632 F694 P695 L700	L620-I628 WeakPolarHBondContact O-CD1 3.47Å; L623-I628 HydrophobicContact CB-CD1 4.48Å; L623-I628 HydrophobicContact CB-CG1 4.09Å; L623-I628 WeakPolarHBondContact O-CD1 3.45Å; P624-I628 PolarHBondContact O-N 3.5Å; R625-I628 PolarHBondContact O-N 3.33Å; I628-M631 PolarHBondContact O-N 2.89Å; I628-R632 WeakPolarHBondContact O-CB 3.47Å; I628-R632 PolarHBondContact O-N 3.2Å; I628-F694 HydrophobicContact CG2-CD1 4.25Å; I628-P695 HydrophobicContact CG2-CG 4.33Å; I628-L700 HydrophobicContact CB-CD2 3.9Å; I628-L700 HydrophobicContact CG2-CD2 3.58Å
629	V	93.6	Very high	94	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-47.1	176	172.2	0	0	0	0	111.4	I519 R625 V626 V627 M631 R632 Y633 L700	I519-V629 HydrophobicContact CD1-CG1 4.48Å; I519-V629 HydrophobicContact CG1-CG1 4.21Å; R625-V629 WeakPolarHBondContact O-CG2 3.45Å; R625-V629 PolarHBondContact O-N 3.12Å; V626-V629 PolarHBondContact O-N 2.91Å; V627-V629 PolarHBondContact O-N 3.38Å; V629-M631 PolarHBondContact O-N 3.14Å; V629-R632 PolarHBondContact O-N 3.42Å; V629-Y633 PolarHBondContact O-N 2.72Å; V629-Y633 VanDerWaalsContact O-N 3.1Å; V629-L700 HydrophobicContact CG2-CD2 3.87Å; V629-L700 HydrophobicContact CG2-CG 3.98Å
630	V	94.7	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-38.8	178	176	0	0	0	0	111.6	M508 I512 I519 F584 L591 V626 V627 L634	M508-V630 HydrophobicContact CE-CB 4.1Å; M508-V630 HydrophobicContact CE-CG1 4.26Å; M508-V630 HydrophobicContact CE-CG2 4.14Å; M508-V630 HydrophobicContact SD-CB 4.27Å; M508-V630 HydrophobicContact SD-CG1 3.93Å; M508-V630 HydrophobicContact SD-CG2 4.06Å; I512-V630 HydrophobicContact CD1-CG2 4.11Å; I519-V630 HydrophobicContact CG1-CG2 4.42Å; F584-V630 HydrophobicContact CE1-CG1 3.83Å; F584-V630 HydrophobicContact CZ-CG1 4.09Å; L591-V630 HydrophobicContact CD1-CG1 4.35Å; V626-V630 WeakPolarHBondContact O-CG2 3.49Å; V626-V630 PolarHBondContact O-N 3.46Å; V627-V630 PolarHBondContact O-N 3.34Å; V630-L634 WeakPolarHBondContact O-CB 3.5Å; V630-L634 PolarHBondContact O-N 3.09Å
631	M	95.5	Very high	94.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-50.8	171.4	-78.5	-172.5	175.9	0	0	111.8	L591 F592 L620 L623 V627 I628 V629 Y633 L634 F635 F694	L591-M631 HydrophobicContact CD1-CG 4.34Å; L591-M631 HydrophobicContact CD2-CG 3.82Å; L591-M631 HydrophobicContact CG-CE 3.94Å; L591-M631 HydrophobicContact CG-CG 3.9Å; L591-M631 WeakPolarHBondContact O-CE 3.47Å; F592-M631 HydrophobicContact CD1-CE 3.62Å; F592-M631 HydrophobicContact CD2-CE 4.35Å; F592-M631 HydrophobicContact CE1-CE 3.53Å; F592-M631 HydrophobicContact CE1-SD 4.21Å; F592-M631 HydrophobicContact CE2-CE 4.26Å; F592-M631 HydrophobicContact CG-CE 4.05Å; F592-M631 HydrophobicContact CZ-CE 3.87Å; F592-M631 HydrophobicContact CZ-SD 4.42Å; L620-M631 HydrophobicContact CD1-SD 4.35Å; L620-M631 HydrophobicContact CD2-CE 4.34Å; L620-M631 HydrophobicContact CD2-SD 4.35Å; L623-M631 HydrophobicContact CD1-CE 3.5Å; L623-M631 VanDerWaalsContact CD1-CE 3.5Å; L623-M631 HydrophobicContact CD1-SD 4.02Å; V627-M631 HydrophobicContact CG1-CE 4Å; V627-M631 HydrophobicContact CG1-CG 4.38Å; V627-M631 HydrophobicContact CG1-SD 4.49Å; V627-M631 WeakPolarHBondContact O-CB 3.47Å; V627-M631 WeakPolarHBondContact O-CG 3.4Å; V627-M631 PolarHBondContact O-N 3.1Å; I628-M631 PolarHBondContact O-N 2.89Å; V629-M631 PolarHBondContact O-N 3.14Å; M631-Y633 VanDerWaalsContact C-N 3.27Å; M631-Y633 PolarHBondContact O-N 2.61Å; M631-L634 PolarHBondContact O-N 3.21Å; M631-F635 HydrophobicContact CB-CD2 4.26Å; M631-F635 WeakPolarHBondContact O-CB 3.39Å; M631-F635 WeakPolarHBondContact O-CD2 3.42Å; M631-F635 PolarHBondContact O-N 2.92Å; M631-F694 HydrophobicContact CB-CD1 4.25Å; M631-F694 HydrophobicContact CB-CE1 3.49Å; M631-F694 VanDerWaalsContact CB-CE1 3.49Å; M631-F694 HydrophobicContact CB-CZ 3.76Å; M631-F694 HydrophobicContact CG-CE1 4.28Å; M631-F694 HydrophobicContact SD-CE1 3.8Å; M631-F694 HydrophobicContact SD-CZ 4.23Å
632	R	94.9	Very high	94.7	Very high	17 Å²	17	23.8 Å²	23.8	6%	0.064	12%	0.122	C	C	.	.	H	α-helix	trans	-54.9	-44.5	-179	-176.7	176.7	70.9	-169	1.5	111.4	I628 V629 A636 F694 P695 S696 L700 G702 P703	I628-R632 WeakPolarHBondContact O-CB 3.47Å; I628-R632 PolarHBondContact O-N 3.2Å; V629-R632 PolarHBondContact O-N 3.42Å; R632-A636 VanDerWaalsContact O-CB 3.23Å; R632-A636 WeakPolarHBondContact O-CB 3.25Å; R632-A636 PolarHBondContact O-N 2.68Å; R632-A636 VanDerWaalsContact O-N 3.11Å; R632-F694 HydrophobicContact CB-CB 3.94Å; R632-F694 HydrophobicContact CB-CD1 4.48Å; R632-F694 HydrophobicContact CB-CG 4.07Å; R632-F694 HydrophobicContact CG-CB 3.86Å; R632-F694 HydrophobicContact CG-CG 4.41Å; R632-P695 VanDerWaalsContact CD-O 3.28Å; R632-P695 WeakPolarHBondContact CD-O 3.29Å; R632-P695 PolarHBondContact NH1-O 2.71Å; R632-S696 PolarHBondContact NH1-O 3.12Å; R632-L700 PolarHBondContact NH1-O 2.85Å; R632-L700 PolarHBondContact NH2-O 3.11Å; R632-G702 PolarHBondContact NH2-O 2.71Å; R632-P703 PolarHBondContact NH2-O 3.09Å
633	Y	95.8	Very high	94.9	Very high	8 Å²	8	24.4 Å²	24.4	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-66.9	-48.1	178	-168.1	-94.8	0	0	0	112.4	I519 I527 V629 M631 F637 Y705 M709	I519-Y633 VanDerWaalsContact CD1-CB 3.47Å; I519-Y633 HydrophobicContact CD1-CD1 3.76Å; I519-Y633 HydrophobicContact CD1-CD2 3.37Å; I519-Y633 HydrophobicContact CD1-CE1 4.29Å; I519-Y633 HydrophobicContact CD1-CE2 3.96Å; I519-Y633 HydrophobicContact CD1-CG 3.26Å; I527-Y633 HydrophobicContact CB-CE1 4.06Å; I527-Y633 HydrophobicContact CD1-CD1 3.73Å; I527-Y633 HydrophobicContact CD1-CE1 3.77Å; I527-Y633 HydrophobicContact CG2-CE1 3.76Å; V629-Y633 PolarHBondContact O-N 2.72Å; V629-Y633 VanDerWaalsContact O-N 3.1Å; M631-Y633 VanDerWaalsContact C-N 3.27Å; M631-Y633 PolarHBondContact O-N 2.61Å; Y633-F637 PolarHBondContact O-N 3.09Å; Y633-F637 VanDerWaalsContact O-N 3.09Å; Y633-Y705 HydrophobicContact CE1-CD2 4.47Å; Y633-Y705 HydrophobicContact CE2-CD2 4.33Å; Y633-M709 HydrophobicContact CE2-CE 4.1Å; Y633-M709 VanDerWaalsContact OH-CE 3.23Å; Y633-M709 WeakPolarHBondContact OH-CE 3.24Å
634	L	97	Very high	95.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-46.7	178.5	177.2	64.5	0	0	0	112.3	I527 F584 L591 V630 M631 F637 L638 F659 L663	I527-L634 HydrophobicContact CD1-CD1 4.13Å; F584-L634 HydrophobicContact CD2-CD2 4.29Å; F584-L634 HydrophobicContact CE1-CD2 4.34Å; F584-L634 HydrophobicContact CE2-CD1 3.92Å; F584-L634 HydrophobicContact CE2-CD2 3.81Å; F584-L634 HydrophobicContact CE2-CG 4.42Å; F584-L634 HydrophobicContact CZ-CD1 4.35Å; F584-L634 HydrophobicContact CZ-CD2 3.84Å; F584-L634 HydrophobicContact CZ-CG 4.48Å; L591-L634 HydrophobicContact CD2-CD2 3.97Å; V630-L634 WeakPolarHBondContact O-CB 3.5Å; V630-L634 PolarHBondContact O-N 3.09Å; M631-L634 PolarHBondContact O-N 3.21Å; L634-F637 PolarHBondContact O-N 2.86Å; L634-L638 HydrophobicContact CD1-CD1 4.17Å; L634-L638 HydrophobicContact CD1-CG 4.26Å; L634-L638 HydrophobicContact CG-CD1 4.07Å; L634-L638 HydrophobicContact CG-CG 4.49Å; L634-L638 WeakPolarHBondContact O-CG 3.41Å; L634-L638 PolarHBondContact O-N 3.44Å; L634-F659 HydrophobicContact CD1-CE1 4.34Å; L634-L663 HydrophobicContact CD2-CD1 3.94Å; L634-L663 HydrophobicContact CD2-CD2 3.95Å
635	F	97.5	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-75.1	-30.8	-175.7	-79.6	-73.4	0	0	0	113.2	F592 M631 L638 N639 L663 I683 I686 I687 H690 F694	F592-F635 HydrophobicContact CE2-CE2 4.1Å; F592-F635 AromaticContact CE2-CZ 3.94Å; F592-F635 HydrophobicContact CE2-CZ 3.94Å; F592-F635 AromaticContact CZ-CE2 3.73Å; F592-F635 HydrophobicContact CZ-CE2 3.73Å; F592-F635 AromaticContact CZ-CZ 3.74Å; F592-F635 HydrophobicContact CZ-CZ 3.74Å; M631-F635 HydrophobicContact CB-CD2 4.26Å; M631-F635 WeakPolarHBondContact O-CB 3.39Å; M631-F635 WeakPolarHBondContact O-CD2 3.42Å; M631-F635 PolarHBondContact O-N 2.92Å; F635-L638 HydrophobicContact CD1-CD1 4.37Å; F635-L638 HydrophobicContact CE1-CD1 4.46Å; F635-L638 PolarHBondContact O-N 3.14Å; F635-N639 WeakPolarHBondContact O-CB 3.45Å; F635-N639 PolarHBondContact O-N 2.86Å; F635-L663 HydrophobicContact CE2-CD1 4.29Å; F635-L663 HydrophobicContact CZ-CD1 3.75Å; F635-I683 HydrophobicContact CE1-CG2 4.18Å; F635-I683 HydrophobicContact CZ-CD1 4.14Å; F635-I686 HydrophobicContact CB-CG2 4.35Å; F635-I686 HydrophobicContact CD1-CB 4.21Å; F635-I686 HydrophobicContact CD1-CG2 3.55Å; F635-I686 HydrophobicContact CD2-CG2 3.74Å; F635-I686 HydrophobicContact CE1-CB 3.99Å; F635-I686 HydrophobicContact CE1-CG2 3.64Å; F635-I686 HydrophobicContact CE2-CG2 3.84Å; F635-I686 HydrophobicContact CG-CG2 3.61Å; F635-I686 HydrophobicContact CZ-CB 4.32Å; F635-I686 HydrophobicContact CZ-CG2 3.79Å; F635-I687 HydrophobicContact CD1-CG1 3.7Å; F635-I687 HydrophobicContact CE1-CG1 3.86Å; F635-H690 HydrophobicContact CB-CB 4.03Å; F635-F694 HydrophobicContact CB-CD2 4.46Å; F635-F694 HydrophobicContact CB-CE2 3.69Å; F635-F694 HydrophobicContact CB-CZ 4.43Å; F635-F694 AromaticContact CD2-CE2 3.79Å; F635-F694 HydrophobicContact CD2-CE2 3.79Å; F635-F694 AromaticContact CD2-CZ 3.65Å; F635-F694 HydrophobicContact CD2-CZ 3.65Å; F635-F694 HydrophobicContact CE2-CZ 4.29Å; F635-F694 AromaticContact CG-CE2 3.94Å; F635-F694 HydrophobicContact CG-CE2 3.94Å; F635-F694 HydrophobicContact CG-CZ 4.26Å
636	A	96.5	Very high	95.3	Very high	14 Å²	14	21.6 Å²	21.6	12%	0.116	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-41.1	168.7	0	0	0	0	0	111.9	R632 N639 H640 Y705	R632-A636 VanDerWaalsContact O-CB 3.23Å; R632-A636 WeakPolarHBondContact O-CB 3.25Å; R632-A636 PolarHBondContact O-N 2.68Å; R632-A636 VanDerWaalsContact O-N 3.11Å; A636-N639 PolarHBondContact O-N 3.37Å; A636-H640 PolarHBondContact O-N 3.44Å; A636-Y705 HydrophobicContact CB-CD1 3.93Å; A636-Y705 HydrophobicContact CB-CG 4.3Å
637	F	97.5	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-46.6	171.5	163.5	-108.7	0	0	0	112.4	I527 I530 F541 L580 Y633 L634 N639 H640 L641 Y705	I527-F637 HydrophobicContact CB-CG 4.42Å; I527-F637 HydrophobicContact CD1-CB 4.28Å; I527-F637 HydrophobicContact CD1-CD1 4.01Å; I527-F637 HydrophobicContact CD1-CG 4.25Å; I527-F637 HydrophobicContact CG1-CD1 3.78Å; I527-F637 HydrophobicContact CG1-CE1 4.09Å; I527-F637 HydrophobicContact CG1-CG 4.07Å; I527-F637 HydrophobicContact CG2-CB 3.91Å; I527-F637 HydrophobicContact CG2-CD1 4.26Å; I527-F637 HydrophobicContact CG2-CD2 3.7Å; I527-F637 HydrophobicContact CG2-CE2 4.3Å; I527-F637 HydrophobicContact CG2-CG 3.66Å; I530-F637 HydrophobicContact CB-CE2 4.43Å; I530-F637 HydrophobicContact CB-CZ 4Å; I530-F637 HydrophobicContact CG2-CE2 4.24Å; I530-F637 HydrophobicContact CG2-CZ 3.69Å; F541-F637 AromaticContact CE2-CE1 4Å; F541-F637 HydrophobicContact CE2-CE1 4Å; F541-F637 HydrophobicContact CE2-CZ 4.16Å; F541-F637 AromaticContact CZ-CE1 3.94Å; F541-F637 HydrophobicContact CZ-CE1 3.94Å; F541-F637 HydrophobicContact CZ-CZ 4.27Å; L580-F637 HydrophobicContact CD2-CE1 4.41Å; Y633-F637 PolarHBondContact O-N 3.09Å; Y633-F637 VanDerWaalsContact O-N 3.09Å; L634-F637 PolarHBondContact O-N 2.86Å; F637-N639 VanDerWaalsContact C-N 3.3Å; F637-N639 PolarHBondContact O-N 2.45Å; F637-H640 PolarHBondContact O-N 3.5Å; F637-L641 HydrophobicContact CE1-CD2 4.43Å; F637-L641 HydrophobicContact CZ-CD2 4.11Å; F637-L641 WeakPolarHBondContact O-CB 3.37Å; F637-L641 PolarHBondContact O-N 3.23Å; F637-Y705 HydrophobicContact CB-CD1 4.31Å; F637-Y705 HydrophobicContact CB-CD2 3.88Å; F637-Y705 HydrophobicContact CB-CE1 4.24Å; F637-Y705 HydrophobicContact CB-CE2 3.82Å; F637-Y705 HydrophobicContact CB-CG 4.12Å; F637-Y705 AromaticContact CD2-CE2 3.87Å; F637-Y705 HydrophobicContact CD2-CE2 3.87Å; F637-Y705 AromaticContact CD2-CZ 3.88Å; F637-Y705 HydrophobicContact CG-CE2 4.28Å
638	L	97.6	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-32.8	178.9	-68.9	176.1	0	0	0	112.5	L634 F635 L641 S642 L655 F659 I687	L634-L638 HydrophobicContact CD1-CD1 4.17Å; L634-L638 HydrophobicContact CD1-CG 4.26Å; L634-L638 HydrophobicContact CG-CD1 4.07Å; L634-L638 HydrophobicContact CG-CG 4.49Å; L634-L638 WeakPolarHBondContact O-CG 3.41Å; L634-L638 PolarHBondContact O-N 3.44Å; F635-L638 HydrophobicContact CD1-CD1 4.37Å; F635-L638 HydrophobicContact CE1-CD1 4.46Å; F635-L638 PolarHBondContact O-N 3.14Å; L638-L641 HydrophobicContact CD2-CD2 4.5Å; L638-S642 WeakPolarHBondContact O-CB 3.36Å; L638-S642 PolarHBondContact O-N 3.43Å; L638-S642 VanDerWaalsContact O-N 3.11Å; L638-L655 HydrophobicContact CD2-CD2 4.39Å; L638-L655 WeakPolarHBondContact O-CD1 3.31Å; L638-F659 HydrophobicContact CD1-CD1 4.3Å; L638-F659 HydrophobicContact CD1-CD2 4.02Å; L638-F659 HydrophobicContact CD1-CE2 4.24Å; L638-F659 HydrophobicContact CD1-CG 4.04Å; L638-F659 HydrophobicContact CD1-CZ 4.47Å; L638-F659 HydrophobicContact CD2-CD2 3.93Å; L638-F659 HydrophobicContact CD2-CE2 3.49Å; L638-F659 VanDerWaalsContact CD2-CE2 3.49Å; L638-F659 HydrophobicContact CD2-CZ 3.93Å; L638-I687 HydrophobicContact CB-CD1 4.46Å; L638-I687 HydrophobicContact CB-CG1 4.16Å; L638-I687 HydrophobicContact CB-CG2 4.49Å; L638-I687 HydrophobicContact CD1-CD1 4.49Å; L638-I687 HydrophobicContact CD1-CG1 4.48Å
639	N	97.6	Very high	95.5	Very high	27 Å²	27	27 Å²	27	14%	0.144	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-48.1	171	-174.3	-73.7	0	0	0	111.2	F635 A636 F637 L641 S642 Q643 I687 H690	F635-N639 WeakPolarHBondContact O-CB 3.45Å; F635-N639 PolarHBondContact O-N 2.86Å; A636-N639 PolarHBondContact O-N 3.37Å; F637-N639 VanDerWaalsContact C-N 3.3Å; F637-N639 PolarHBondContact O-N 2.45Å; N639-L641 PolarHBondContact O-N 3.27Å; N639-S642 PolarHBondContact O-N 3.33Å; N639-S642 VanDerWaalsContact O-N 3.13Å; N639-S642 PolarHBondContact O-OG 3.34Å; N639-Q643 PolarHBondContact O-N 3.12Å; N639-Q643 PolarHBondContact OD1-NE2 3.32Å; N639-I687 HydrophobicContact CB-CG2 4.43Å; N639-I687 WeakPolarHBondContact CB-O 3.44Å; N639-I687 PolarHBondContact ND2-O 2.87Å; N639-H690 WeakPolarHBondContact CB-CD2 3.45Å; N639-H690 WeakPolarHBondContact CB-NE2 3.37Å; N639-H690 VanDerWaalsContact CG-CD2 3.46Å; N639-H690 PolarHBondContact ND2-CD2 3.45Å
640	H	97.1	Very high	95.6	Very high	11 Å²	11	26.5 Å²	26.5	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-45.6	176.9	-175.7	-139.5	0	0	0	112.3	N531 A636 F637 S642 Q643 Y644 Y705 K707	N531-H640 PolarHBondContact OD1-ND1 2.88Å; A636-H640 PolarHBondContact O-N 3.44Å; F637-H640 PolarHBondContact O-N 3.5Å; H640-S642 PolarHBondContact O-N 2.68Å; H640-Q643 VanDerWaalsContact O-CB 3.31Å; H640-Q643 WeakPolarHBondContact O-CB 3.17Å; H640-Q643 PolarHBondContact O-N 2.95Å; H640-Y644 AromaticContact NE2-CE2 3.68Å; H640-Y705 HydrophobicContact CB-CE1 3.72Å; H640-Y705 AromaticContact ND1-CE1 3.93Å; H640-Y705 AromaticContact ND1-CZ 3.82Å; H640-Y705 PolarHBondContact ND1-OH 3.13Å; H640-K707 HydrophobicContact CB-CG 4.45Å
641	L	96.3	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-36	175.7	-176.9	65.2	0	0	0	112.6	L535 I540 F541 F637 L638 N639 Q643 Y644 N648 L655	L535-L641 HydrophobicContact CD2-CD1 3.81Å; I540-L641 HydrophobicContact CG2-CD1 4.14Å; I540-L641 HydrophobicContact CG2-CD2 4.18Å; I540-L641 HydrophobicContact CG2-CG 4.49Å; F541-L641 HydrophobicContact CD2-CD2 3.8Å; F541-L641 HydrophobicContact CE2-CD2 3.53Å; F637-L641 HydrophobicContact CE1-CD2 4.43Å; F637-L641 HydrophobicContact CZ-CD2 4.11Å; F637-L641 WeakPolarHBondContact O-CB 3.37Å; F637-L641 PolarHBondContact O-N 3.23Å; L638-L641 HydrophobicContact CD2-CD2 4.5Å; N639-L641 PolarHBondContact O-N 3.27Å; L641-Q643 PolarHBondContact O-N 2.06Å; L641-Y644 PolarHBondContact O-N 3.32Å; L641-N648 PolarHBondContact O-ND2 2.99Å; L641-L655 HydrophobicContact CD2-CD1 4.43Å; L641-L655 HydrophobicContact CD2-CD2 3.89Å
642	S	96.8	Very high	95.7	Very high	12 Å²	12	30.6 Å²	30.6	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-71.1	-15.1	177.2	78.3	0	0	0	0	114.2	L638 N639 H640 Y644 S645	L638-S642 WeakPolarHBondContact O-CB 3.36Å; L638-S642 PolarHBondContact O-N 3.43Å; L638-S642 VanDerWaalsContact O-N 3.11Å; N639-S642 PolarHBondContact O-N 3.33Å; N639-S642 VanDerWaalsContact O-N 3.13Å; N639-S642 PolarHBondContact O-OG 3.34Å; H640-S642 PolarHBondContact O-N 2.68Å; S642-Y644 PolarHBondContact O-N 2.98Å; S642-S645 VanDerWaalsContact O-CB 3.32Å; S642-S645 WeakPolarHBondContact O-CB 3.38Å; S642-S645 PolarHBondContact O-N 3.31Å; S642-S645 PolarHBondContact O-OG 3.49Å
643	Q	95.3	Very high	95.8	Very high	88 Å²	88	34.9 Å²	34.9	41%	0.411	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.2	174	-64.7	159.6	30.2	0	0	111.9	N639 H640 L641	N639-Q643 PolarHBondContact O-N 3.12Å; N639-Q643 PolarHBondContact OD1-NE2 3.32Å; H640-Q643 VanDerWaalsContact O-CB 3.31Å; H640-Q643 WeakPolarHBondContact O-CB 3.17Å; H640-Q643 PolarHBondContact O-N 2.95Å; L641-Q643 PolarHBondContact O-N 2.06Å
644	Y	95.3	Very high	95.8	Very high	79 Å²	79	36.6 Å²	36.6	31%	0.31	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	18.6	174.1	-65.1	-92.8	0	0	0	112.9	L535 H640 L641 S642 D646 E647 N648	L535-Y644 HydrophobicContact CB-CD1 4.44Å; L535-Y644 HydrophobicContact CB-CD2 4.13Å; L535-Y644 HydrophobicContact CB-CE2 4.3Å; L535-Y644 HydrophobicContact CB-CG 4.21Å; L535-Y644 HydrophobicContact CD1-CD2 4.41Å; L535-Y644 HydrophobicContact CD1-CE2 3.81Å; L535-Y644 HydrophobicContact CD2-CD2 4.29Å; L535-Y644 HydrophobicContact CD2-CE2 4.35Å; L535-Y644 HydrophobicContact CG-CE2 4.38Å; L535-Y644 WeakPolarHBondContact O-CB 3.19Å; H640-Y644 AromaticContact NE2-CE2 3.68Å; L641-Y644 PolarHBondContact O-N 3.32Å; S642-Y644 PolarHBondContact O-N 2.98Å; Y644-D646 PolarHBondContact O-N 3.43Å; Y644-D646 VanDerWaalsContact O-N 3.09Å; Y644-E647 PolarHBondContact O-N 3.45Å; Y644-E647 VanDerWaalsContact O-N 3.09Å; Y644-N648 WeakPolarHBondContact CB-ND2 3.46Å; Y644-N648 PolarHBondContact O-N 2.7Å; Y644-N648 PolarHBondContact O-ND2 3.46Å; Y644-N648 PolarHBondContact O-OD1 3.48Å
645	S	94.9	Very high	95.8	Very high	32 Å²	32	36.6 Å²	36.6	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-26.4	-173.3	59.8	0	0	0	0	114.8	S642 E647 N648 M649	S642-S645 VanDerWaalsContact O-CB 3.32Å; S642-S645 WeakPolarHBondContact O-CB 3.38Å; S642-S645 PolarHBondContact O-N 3.31Å; S642-S645 PolarHBondContact O-OG 3.49Å; S645-E647 VanDerWaalsContact C-N 3.29Å; S645-E647 PolarHBondContact O-N 2.92Å; S645-N648 WeakPolarHBondContact CA-OD1 3.46Å; S645-M649 WeakPolarHBondContact O-CA 3.43Å; S645-M649 PolarHBondContact O-N 3.25Å
646	D	90.4	Very high	95.8	Very high	89 Å²	89	36.6 Å²	36.6	48%	0.476	18%	0.182	S	C	.	.	H	α-helix	trans	-69.4	-28.4	-179.4	-54.5	-48.1	0	0	0	112.4	Y644 R761	Y644-D646 PolarHBondContact O-N 3.43Å; Y644-D646 VanDerWaalsContact O-N 3.09Å; D646-R761 IonicContact OD1-NH2 3.29Å; D646-R761 IonicContact OD2-CZ 2.66Å; D646-R761 IonicContact OD2-NH1 3.81Å; D646-R761 PolarHBondContact OD2-NH1 2.98Å; D646-R761 IonicContact OD2-NH2 3.86Å; D646-R761 PolarHBondContact OD2-NH2 3.33Å
647	E	90.8	Very high	95.7	Very high	94 Å²	94	39.2 Å²	39.2	44%	0.439	19%	0.194	S	C	.	.	H	α-helix	trans	-98.4	-53	177.8	-61.3	176.4	-139.8	0	0	110.9	Q536 Y644 S645 M649	Q536-E647 VanDerWaalsContact CD-OE2 3.32Å; Q536-E647 WeakPolarHBondContact CG-OE2 3.49Å; Q536-E647 PolarHBondContact NE2-OE2 2.92Å; Y644-E647 PolarHBondContact O-N 3.45Å; Y644-E647 VanDerWaalsContact O-N 3.09Å; S645-E647 VanDerWaalsContact C-N 3.29Å; S645-E647 PolarHBondContact O-N 2.92Å; E647-M649 VanDerWaalsContact C-N 3.3Å; E647-M649 PolarHBondContact O-N 2.88Å
648	N	94.5	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-80.3	-9.1	-173.3	74.8	25.4	0	0	0	113.5	L535 Q537 Q538 G539 I540 L641 Y644 S645 M650	L535-N648 VanDerWaalsContact O-CB 3.31Å; L535-N648 WeakPolarHBondContact O-CB 3.32Å; L535-N648 PolarHBondContact O-ND2 3.47Å; Q537-N648 WeakPolarHBondContact O-CB 3.41Å; Q538-N648 WeakPolarHBondContact CA-O 3.25Å; G539-N648 PolarHBondContact N-O 3.01Å; I540-N648 HydrophobicContact CG2-CB 4.44Å; L641-N648 PolarHBondContact O-ND2 2.99Å; Y644-N648 WeakPolarHBondContact CB-ND2 3.46Å; Y644-N648 PolarHBondContact O-N 2.7Å; Y644-N648 PolarHBondContact O-ND2 3.46Å; Y644-N648 PolarHBondContact O-OD1 3.48Å; S645-N648 WeakPolarHBondContact CA-OD1 3.46Å; N648-M650 WeakPolarHBondContact O-CG 3.5Å; N648-M650 PolarHBondContact O-N 3.48Å; N648-M650 WeakPolarHBondContact OD1-CA 3.42Å; N648-M650 VanDerWaalsContact OD1-CB 3.32Å; N648-M650 WeakPolarHBondContact OD1-CB 3.35Å; N648-M650 PolarHBondContact OD1-N 2.86Å
649	M	95.4	Very high	95.6	Very high	86 Å²	86	40.2 Å²	40.2	42%	0.424	20%	0.2	S	C	.	.			trans	62.2	18.4	-179.6	-55.9	-78.2	158.6	0	0	114.7	Q538 S645 E647 N654	Q538-M649 HydrophobicContact CG-CB 4.28Å; Q538-M649 HydrophobicContact CG-CG 3.79Å; S645-M649 WeakPolarHBondContact O-CA 3.43Å; S645-M649 PolarHBondContact O-N 3.25Å; E647-M649 VanDerWaalsContact C-N 3.3Å; E647-M649 PolarHBondContact O-N 2.88Å; M649-N654 PolarHBondContact O-ND2 3.06Å
650	M	96.5	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.			trans	-117.9	74.2	-175.2	-63.3	-58.9	-61.1	0	0	111.8	I540 R542 N648 N654 L655	I540-M650 HydrophobicContact CG2-CB 4.47Å; I540-M650 HydrophobicContact CG2-CG 3.99Å; I540-M650 WeakPolarHBondContact O-CE 3.48Å; I540-M650 WeakPolarHBondContact O-CG 3.44Å; R542-M650 HydrophobicContact CB-CE 4.03Å; R542-M650 HydrophobicContact CB-SD 3.76Å; N648-M650 WeakPolarHBondContact O-CG 3.5Å; N648-M650 PolarHBondContact O-N 3.48Å; N648-M650 WeakPolarHBondContact OD1-CA 3.42Å; N648-M650 VanDerWaalsContact OD1-CB 3.32Å; N648-M650 WeakPolarHBondContact OD1-CB 3.35Å; N648-M650 PolarHBondContact OD1-N 2.86Å; M650-N654 HydrophobicContact CE-CB 3.75Å; M650-N654 WeakPolarHBondContact CE-O 3.4Å; M650-N654 HydrophobicContact SD-CB 3.98Å; M650-L655 HydrophobicContact CB-CD2 3.98Å; M650-L655 HydrophobicContact CB-CG 4.12Å; M650-L655 HydrophobicContact CE-CD2 3.89Å; M650-L655 HydrophobicContact CE-CG 4.35Å
651	D	95.9	Very high	95	Very high	58 Å²	58	41.1 Å²	41.1	31%	0.31	21%	0.209	S	C	.	.			trans	-64.2	170.4	169.8	83.9	-30.2	0	0	0	112.3	Y653 N654 L655	D651-Y653 PolarHBondContact O-N 2.94Å; D651-Y653 PolarHBondContact OD1-N 2.67Å; D651-N654 PolarHBondContact O-N 3.28Å; D651-N654 VanDerWaalsContact OD1-CB 3.22Å; D651-N654 WeakPolarHBondContact OD1-CB 3.33Å; D651-N654 PolarHBondContact OD1-N 3Å; D651-N654 PolarHBondContact OD1-ND2 3.05Å; D651-L655 WeakPolarHBondContact O-CG 3.35Å; D651-L655 PolarHBondContact O-N 2.9Å
652	P	96.9	Very high	94.8	Very high	28 Å²	28	41.7 Å²	41.7	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-57.4	-24.9	-179.8	-26.6	35.6	0	0	0	114.4	A656 K684 I687 I688	P652-A656 VanDerWaalsContact O-CB 3.23Å; P652-A656 WeakPolarHBondContact O-CB 3.37Å; P652-A656 PolarHBondContact O-N 3.39Å; P652-K684 HydrophobicContact CB-CG 4.37Å; P652-I687 HydrophobicContact CB-CG2 4.01Å; P652-I687 HydrophobicContact CG-CG2 4.48Å; P652-I688 HydrophobicContact CB-CD1 4.17Å; P652-I688 HydrophobicContact CB-CG1 3.84Å; P652-I688 HydrophobicContact CG-CG1 4.05Å
653	Y	95.9	Very high	94.7	Very high	107 Å²	107	41.1 Å²	41.1	42%	0.42	21%	0.208	S	C	.	.	H	α-helix	trans	-78.4	-45.2	177.2	-178.1	-111.8	0	0	0	112.1	D651 L655 A656 I657 K684	D651-Y653 PolarHBondContact O-N 2.94Å; D651-Y653 PolarHBondContact OD1-N 2.67Å; Y653-L655 VanDerWaalsContact C-N 3.34Å; Y653-L655 PolarHBondContact O-N 3.33Å; Y653-A656 PolarHBondContact O-N 3.41Å; Y653-I657 HydrophobicContact CD1-CD1 3.91Å; Y653-I657 HydrophobicContact CE1-CD1 3.58Å; Y653-I657 WeakPolarHBondContact O-CG1 3.34Å; Y653-I657 PolarHBondContact O-N 3.46Å; Y653-K684 HydrophobicContact CD2-CD 4.08Å
654	N	96.5	Very high	94.4	Very high	44 Å²	44	37.1 Å²	37.1	24%	0.235	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-38.6	174.3	-73	-19.6	0	0	0	111.7	M649 M650 D651 I657 C658	M649-N654 PolarHBondContact O-ND2 3.06Å; M650-N654 HydrophobicContact CE-CB 3.75Å; M650-N654 WeakPolarHBondContact CE-O 3.4Å; M650-N654 HydrophobicContact SD-CB 3.98Å; D651-N654 PolarHBondContact O-N 3.28Å; D651-N654 VanDerWaalsContact OD1-CB 3.22Å; D651-N654 WeakPolarHBondContact OD1-CB 3.33Å; D651-N654 PolarHBondContact OD1-N 3Å; D651-N654 PolarHBondContact OD1-ND2 3.05Å; N654-I657 PolarHBondContact O-N 2.9Å; N654-C658 PolarHBondContact O-N 3Å; N654-C658 PolarHBondContact O-SG 3.42Å
655	L	97.3	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-42.5	171.3	-69.4	173.9	0	0	0	111.4	F541 L638 L641 M650 D651 Y653 I657 C658 F659 I687	F541-L655 HydrophobicContact CD2-CD2 4.2Å; L638-L655 HydrophobicContact CD2-CD2 4.39Å; L638-L655 WeakPolarHBondContact O-CD1 3.31Å; L641-L655 HydrophobicContact CD2-CD1 4.43Å; L641-L655 HydrophobicContact CD2-CD2 3.89Å; M650-L655 HydrophobicContact CB-CD2 3.98Å; M650-L655 HydrophobicContact CB-CG 4.12Å; M650-L655 HydrophobicContact CE-CD2 3.89Å; M650-L655 HydrophobicContact CE-CG 4.35Å; D651-L655 WeakPolarHBondContact O-CG 3.35Å; D651-L655 PolarHBondContact O-N 2.9Å; Y653-L655 VanDerWaalsContact C-N 3.34Å; Y653-L655 PolarHBondContact O-N 3.33Å; L655-I657 VanDerWaalsContact C-N 3.34Å; L655-I657 PolarHBondContact O-N 3.11Å; L655-C658 PolarHBondContact O-N 3.19Å; L655-C658 VanDerWaalsContact O-N 3.09Å; L655-F659 PolarHBondContact O-N 3.03Å; L655-I687 HydrophobicContact CB-CD1 3.96Å
656	A	96.3	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-34.4	176.2	0	0	0	0	0	113.5	P652 Y653 C658 G660 N680 I683 K684 I687	P652-A656 VanDerWaalsContact O-CB 3.23Å; P652-A656 WeakPolarHBondContact O-CB 3.37Å; P652-A656 PolarHBondContact O-N 3.39Å; Y653-A656 PolarHBondContact O-N 3.41Å; A656-C658 VanDerWaalsContact C-N 3.31Å; A656-C658 PolarHBondContact O-N 3.4Å; A656-G660 WeakPolarHBondContact O-CA 3.39Å; A656-G660 PolarHBondContact O-N 3.24Å; A656-N680 VanDerWaalsContact CB-O 3.31Å; A656-N680 WeakPolarHBondContact CB-O 3.43Å; A656-I683 HydrophobicContact CB-CB 4.05Å; A656-I683 HydrophobicContact CB-CG2 3.85Å; A656-K684 HydrophobicContact CB-CB 3.87Å; A656-I687 HydrophobicContact CB-CD1 4.4Å
657	I	94.6	Very high	93.1	Very high	69 Å²	69	33.6 Å²	33.6	35%	0.354	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-40.3	170.5	-71.6	162.2	0	0	0	111.1	Y653 N654 L655 P661 N680	Y653-I657 HydrophobicContact CD1-CD1 3.91Å; Y653-I657 HydrophobicContact CE1-CD1 3.58Å; Y653-I657 WeakPolarHBondContact O-CG1 3.34Å; Y653-I657 PolarHBondContact O-N 3.46Å; N654-I657 PolarHBondContact O-N 2.9Å; L655-I657 VanDerWaalsContact C-N 3.34Å; L655-I657 PolarHBondContact O-N 3.11Å; I657-P661 VanDerWaalsContact O-CD 3.27Å; I657-P661 WeakPolarHBondContact O-CD 3.37Å; I657-N680 WeakPolarHBondContact CG1-ND2 3.22Å
658	C	96	Very high	92.4	Very high	21 Å²	21	36 Å²	36	14%	0.142	19%	0.189	C	C	.	.	H	α-helix	trans	-76.3	-37.1	-179.1	-63	0	0	0	0	113.2	F541 N654 L655 A656 T662	F541-C658 HydrophobicContact CB-CB 4.22Å; N654-C658 PolarHBondContact O-N 3Å; N654-C658 PolarHBondContact O-SG 3.42Å; L655-C658 PolarHBondContact O-N 3.19Å; L655-C658 VanDerWaalsContact O-N 3.09Å; A656-C658 VanDerWaalsContact C-N 3.31Å; A656-C658 PolarHBondContact O-N 3.4Å; C658-T662 PolarHBondContact O-OG1 2.7Å
659	F	96.6	Very high	91.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-93.6	-22	-176.4	-83	-86.3	0	0	0	114.4	F541 K581 L634 L638 L655 T662 L663 I683	F541-F659 HydrophobicContact CB-CE2 4.23Å; F541-F659 AromaticContact CD1-CE2 3.72Å; F541-F659 HydrophobicContact CD1-CE2 3.72Å; F541-F659 AromaticContact CD1-CZ 3.7Å; F541-F659 HydrophobicContact CD1-CZ 3.7Å; F541-F659 AromaticContact CD2-CE2 3.91Å; F541-F659 HydrophobicContact CD2-CE2 3.91Å; F541-F659 HydrophobicContact CD2-CZ 4.44Å; F541-F659 HydrophobicContact CE1-CE2 4.01Å; F541-F659 AromaticContact CE1-CZ 3.61Å; F541-F659 HydrophobicContact CE1-CZ 3.61Å; F541-F659 HydrophobicContact CE2-CE2 4.18Å; F541-F659 HydrophobicContact CE2-CZ 4.35Å; F541-F659 AromaticContact CG-CE2 3.67Å; F541-F659 HydrophobicContact CG-CE2 3.67Å; F541-F659 HydrophobicContact CG-CZ 4.14Å; F541-F659 HydrophobicContact CZ-CE2 4.23Å; F541-F659 AromaticContact CZ-CZ 3.95Å; F541-F659 HydrophobicContact CZ-CZ 3.95Å; K581-F659 HydrophobicContact CG-CE1 4.19Å; K581-F659 HydrophobicContact CG-CZ 4.11Å; L634-F659 HydrophobicContact CD1-CE1 4.34Å; L638-F659 HydrophobicContact CD1-CD1 4.3Å; L638-F659 HydrophobicContact CD1-CD2 4.02Å; L638-F659 HydrophobicContact CD1-CE2 4.24Å; L638-F659 HydrophobicContact CD1-CG 4.04Å; L638-F659 HydrophobicContact CD1-CZ 4.47Å; L638-F659 HydrophobicContact CD2-CD2 3.93Å; L638-F659 HydrophobicContact CD2-CE2 3.49Å; L638-F659 VanDerWaalsContact CD2-CE2 3.49Å; L638-F659 HydrophobicContact CD2-CZ 3.93Å; L655-F659 PolarHBondContact O-N 3.03Å; F659-T662 HydrophobicContact CD1-CG2 4.28Å; F659-T662 CarbonylContact O-C 3.42Å; F659-T662 WeakPolarHBondContact O-CA 3.37Å; F659-T662 WeakPolarHBondContact O-CB 3.49Å; F659-T662 PolarHBondContact O-N 2.87Å; F659-L663 HydrophobicContact CB-CD1 4.03Å; F659-L663 HydrophobicContact CB-CG 4.24Å; F659-L663 HydrophobicContact CD1-CD1 4.02Å; F659-L663 HydrophobicContact CD1-CD2 4.15Å; F659-L663 HydrophobicContact CD1-CG 4.01Å; F659-L663 HydrophobicContact CG-CD1 4.46Å; F659-L663 WeakPolarHBondContact O-CG 3.26Å; F659-L663 PolarHBondContact O-N 3.29Å; F659-I683 HydrophobicContact CB-CG2 4.42Å
660	G	92.9	Very high	90.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-52.5	-60.6	177.9	0	0	0	0	0	113.7	A656 T662 L663 M664	A656-G660 WeakPolarHBondContact O-CA 3.39Å; A656-G660 PolarHBondContact O-N 3.24Å; G660-T662 PolarHBondContact O-N 2.93Å; G660-T662 VanDerWaalsContact O-N 3.15Å; G660-L663 PolarHBondContact O-N 3.09Å; G660-M664 PolarHBondContact O-N 3.06Å; G660-M664 VanDerWaalsContact O-N 3.1Å
661	P	90.1	Very high	89.8	Confident	57 Å²	57	43.1 Å²	43.1	37%	0.37	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-13	175.3	-19	31.4	0	0	0	114.9	I657	I657-P661 VanDerWaalsContact O-CD 3.27Å; I657-P661 WeakPolarHBondContact O-CD 3.37Å
662	T	92.6	Very high	89	Confident	12 Å²	12	44 Å²	44	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-92.6	-33.9	-175.6	-61.9	0	0	0	0	111.7	K581 F584 R585 C658 F659 G660	K581-T662 HydrophobicContact CB-CG2 3.95Å; K581-T662 HydrophobicContact CG-CG2 4.21Å; K581-T662 WeakPolarHBondContact O-CG2 3.43Å; F584-T662 CarbonylContact C-O 3.53Å; F584-T662 HydrophobicContact CB-CG2 4.11Å; R585-T662 WeakPolarHBondContact CA-O 3.47Å; R585-T662 HydrophobicContact CB-CG2 4.22Å; R585-T662 PolarHBondContact N-O 2.93Å; C658-T662 PolarHBondContact O-OG1 2.7Å; F659-T662 HydrophobicContact CD1-CG2 4.28Å; F659-T662 CarbonylContact O-C 3.42Å; F659-T662 WeakPolarHBondContact O-CA 3.37Å; F659-T662 WeakPolarHBondContact O-CB 3.49Å; F659-T662 PolarHBondContact O-N 2.87Å; G660-T662 PolarHBondContact O-N 2.93Å; G660-T662 VanDerWaalsContact O-N 3.15Å
663	L	93.9	Very high	88.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-104	-27.6	-175.2	-56.8	-178.2	0	0	0	113.2	F584 L591 F592 L634 F635 F659 G660 I683	F584-L663 HydrophobicContact CB-CD2 3.66Å; F584-L663 HydrophobicContact CD1-CD2 4.22Å; F584-L663 HydrophobicContact CD2-CD2 4.22Å; F584-L663 HydrophobicContact CG-CD2 3.79Å; L591-L663 HydrophobicContact CB-CD2 4.38Å; L591-L663 HydrophobicContact CD2-CD2 3.96Å; F592-L663 HydrophobicContact CD2-CB 3.73Å; F592-L663 HydrophobicContact CE2-CB 3.8Å; F592-L663 HydrophobicContact CE2-CD1 4.1Å; F592-L663 PolarHBondContact N-O 3.38Å; F592-L663 VanDerWaalsContact N-O 3.13Å; L634-L663 HydrophobicContact CD2-CD1 3.94Å; L634-L663 HydrophobicContact CD2-CD2 3.95Å; F635-L663 HydrophobicContact CE2-CD1 4.29Å; F635-L663 HydrophobicContact CZ-CD1 3.75Å; F659-L663 HydrophobicContact CB-CD1 4.03Å; F659-L663 HydrophobicContact CB-CG 4.24Å; F659-L663 HydrophobicContact CD1-CD1 4.02Å; F659-L663 HydrophobicContact CD1-CD2 4.15Å; F659-L663 HydrophobicContact CD1-CG 4.01Å; F659-L663 HydrophobicContact CG-CD1 4.46Å; F659-L663 WeakPolarHBondContact O-CG 3.26Å; F659-L663 PolarHBondContact O-N 3.29Å; G660-L663 PolarHBondContact O-N 3.09Å; L663-I683 HydrophobicContact CD1-CD1 4.47Å
664	M	89.6	Confident	87.3	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-128.6	106.8	-172	-167.5	-175.9	-52.9	0	0	110.7	F592 F597 L600 G660 I679 V682 I683	F592-M664 HydrophobicContact CB-CB 4.21Å; F592-M664 HydrophobicContact CB-CE 4.34Å; F592-M664 HydrophobicContact CB-CG 4.07Å; F592-M664 HydrophobicContact CD1-CE 4.38Å; F592-M664 HydrophobicContact CD2-CB 4.28Å; F592-M664 HydrophobicContact CD2-CE 4.26Å; F592-M664 HydrophobicContact CG-CE 4.07Å; F597-M664 HydrophobicContact CD2-CG 3.76Å; F597-M664 HydrophobicContact CD2-SD 3.78Å; F597-M664 HydrophobicContact CE2-CG 4.04Å; F597-M664 HydrophobicContact CE2-SD 3.91Å; L600-M664 HydrophobicContact CD1-CE 4Å; G660-M664 PolarHBondContact O-N 3.06Å; G660-M664 VanDerWaalsContact O-N 3.1Å; M664-I679 HydrophobicContact CB-CG2 4.14Å; M664-I679 HydrophobicContact CE-CG2 4.4Å; M664-I679 HydrophobicContact SD-CB 4.48Å; M664-I679 HydrophobicContact SD-CG1 4.01Å; M664-I679 HydrophobicContact SD-CG2 4.03Å; M664-V682 HydrophobicContact CE-CG1 4.06Å; M664-I683 HydrophobicContact CE-CD1 4.06Å; M664-I683 HydrophobicContact CE-CG1 4.4Å
665	H	86.5	Confident	86.8	Confident	56 Å²	56	44.8 Å²	44.8	26%	0.259	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-84.8	130.4	178.9	-68.4	163.5	0	0	0	111.7	P590	P590-H665 HydrophobicContact CG-CB 4.33Å; P590-H665 VanDerWaalsContact CG-ND1 3.28Å; P590-H665 WeakPolarHBondContact CG-ND1 3.21Å
666	I	84.8	Confident	86.3	Confident	41 Å²	41	47.3 Å²	47.3	21%	0.21	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.2	129.9	179.1	-60.8	172	0	0	0	109.5	F597 Q670 P672 C675 I679	F597-I666 HydrophobicContact CE2-CG1 4.14Å; F597-I666 HydrophobicContact CZ-CB 4.46Å; F597-I666 HydrophobicContact CZ-CG1 4.16Å; F597-I666 HydrophobicContact CZ-CG2 4.35Å; I666-Q670 HydrophobicContact CG2-CB 4.18Å; I666-P672 HydrophobicContact CD1-CB 3.98Å; I666-C675 HydrophobicContact CD1-CB 4.23Å; I666-I679 HydrophobicContact CD1-CD1 3.79Å; I666-I679 HydrophobicContact CG1-CD1 3.54Å
667	P	82.4	Confident	85.8	Confident	30 Å²	30	50.4 Å²	50.4	20%	0.195	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.1	144.2	176.7	-23.7	34.8	0	0	0	113.2	F597 G669 Q670	F597-P667 HydrophobicContact CB-CG 3.82Å; F597-P667 HydrophobicContact CD1-CG 3.68Å; F597-P667 HydrophobicContact CD2-CG 4.31Å; F597-P667 HydrophobicContact CE1-CG 4.31Å; F597-P667 VanDerWaalsContact CG-CD 3.44Å; F597-P667 HydrophobicContact CG-CG 3.68Å; P667-G669 PolarHBondContact O-N 2.8Å; P667-G669 VanDerWaalsContact O-N 3.1Å; P667-Q670 PolarHBondContact O-N 2.83Å
668	D	75.8	Confident	85.6	Confident	145 Å²	145	51 Å²	51	78%	0.775	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	109.9	-177	-53.6	-92.3	0	0	0	110.9	K594	K594-D668 IonicContact NZ-OD2 2.69Å; K594-D668 PolarHBondContact NZ-OD2 2.81Å
669	G	72.4	Confident	85.5	Confident	85 Å²	85	50 Å²	50	88%	0.876	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.2	-7.3	-178.5	0	0	0	0	0	115.7	P667	P667-G669 PolarHBondContact O-N 2.8Å; P667-G669 VanDerWaalsContact O-N 3.1Å
670	Q	77.6	Confident	85.3	Confident	69 Å²	69	50.5 Å²	50.5	32%	0.322	31%	0.309	S	S	.	.	S	Bend	trans	-91.8	147.4	166.5	-55	-156.6	11.4	0	0	110.8	Q598 I666 P667 P672	Q598-Q670 VanDerWaalsContact OE1-NE2 3.09Å; I666-Q670 HydrophobicContact CG2-CB 4.18Å; P667-Q670 PolarHBondContact O-N 2.83Å; Q670-P672 WeakPolarHBondContact O-CD 3.49Å
671	D	80.5	Confident	85.3	Confident	81 Å²	81	52.8 Å²	52.8	43%	0.433	32%	0.32	S	S	.	.			trans	-71	123	176.2	158.9	50.6	0	0	0	110.6	V673 S674 C675	D671-V673 VanDerWaalsContact C-N 3.28Å; D671-V673 PolarHBondContact O-N 3.38Å; D671-V673 PolarHBondContact OD1-N 3.39Å; D671-V673 VanDerWaalsContact OD1-N 3.11Å; D671-S674 PolarHBondContact O-OG 3.31Å; D671-S674 WeakPolarHBondContact OD2-CB 3.46Å; D671-S674 PolarHBondContact OD2-N 2.96Å; D671-S674 PolarHBondContact OD2-OG 2.96Å; D671-C675 WeakPolarHBondContact O-CB 3.49Å; D671-C675 PolarHBondContact O-N 3.47Å; D671-C675 PolarHBondContact O-SG 3.15Å
672	P	79.1	Confident	85.5	Confident	77 Å²	77	50.1 Å²	50.1	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-33.6	-179.2	-25.7	35.9	0	0	0	114.3	I666 Q670 Q676	I666-P672 HydrophobicContact CD1-CB 3.98Å; Q670-P672 WeakPolarHBondContact O-CD 3.49Å; P672-Q676 WeakPolarHBondContact O-CB 3.45Å; P672-Q676 PolarHBondContact O-N 3.48Å
673	V	78.9	Confident	85.7	Confident	119 Å²	119	49.5 Å²	49.5	72%	0.721	30%	0.299	S	S	*	.	H	α-helix	trans	-72	-48.5	-171.4	-175.6	0	0	0	0	111.1	D671 C675 Q676	D671-V673 VanDerWaalsContact C-N 3.28Å; D671-V673 PolarHBondContact O-N 3.38Å; D671-V673 PolarHBondContact OD1-N 3.39Å; D671-V673 VanDerWaalsContact OD1-N 3.11Å; V673-C675 VanDerWaalsContact C-N 3.33Å; V673-C675 PolarHBondContact O-N 3.32Å; V673-Q676 PolarHBondContact O-N 2.98Å
674	S	79.8	Confident	85.8	Confident	65 Å²	65	52 Å²	52	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-30.9	175.8	54.1	0	0	0	0	113.2	D671 H678	D671-S674 PolarHBondContact O-OG 3.31Å; D671-S674 WeakPolarHBondContact OD2-CB 3.46Å; D671-S674 PolarHBondContact OD2-N 2.96Å; D671-S674 PolarHBondContact OD2-OG 2.96Å; S674-H678 PolarHBondContact O-ND1 3.49Å
675	C	84.8	Confident	86.1	Confident	10 Å²	10	52.4 Å²	52.4	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-76	-31.6	177.2	-64.4	0	0	0	0	113.1	F597 I666 D671 V673 A677 H678 I679	F597-C675 HydrophobicContact CZ-CB 4.23Å; I666-C675 HydrophobicContact CD1-CB 4.23Å; D671-C675 WeakPolarHBondContact O-CB 3.49Å; D671-C675 PolarHBondContact O-N 3.47Å; D671-C675 PolarHBondContact O-SG 3.15Å; V673-C675 VanDerWaalsContact C-N 3.33Å; V673-C675 PolarHBondContact O-N 3.32Å; C675-A677 PolarHBondContact O-N 2.97Å; C675-H678 WeakPolarHBondContact O-CB 3.27Å; C675-H678 PolarHBondContact O-N 3.05Å; C675-H678 VanDerWaalsContact O-N 3.09Å; C675-I679 HydrophobicContact CB-CD1 4.38Å; C675-I679 WeakPolarHBondContact O-CG1 3.48Å; C675-I679 PolarHBondContact O-N 3.3Å
676	Q	86.4	Confident	86.6	Confident	53 Å²	53	49.7 Å²	49.7	25%	0.248	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-44	-171.7	-169.2	62	63.7	0	0	113.6	P672 V673 H678 I679 N680	P672-Q676 WeakPolarHBondContact O-CB 3.45Å; P672-Q676 PolarHBondContact O-N 3.48Å; V673-Q676 PolarHBondContact O-N 2.98Å; Q676-H678 PolarHBondContact O-N 3.38Å; Q676-I679 PolarHBondContact O-N 2.75Å; Q676-N680 PolarHBondContact NE2-OD1 3.37Å; Q676-N680 PolarHBondContact O-N 3.06Å; Q676-N680 PolarHBondContact O-OD1 3.29Å; Q676-N680 VanDerWaalsContact O-OD1 3.12Å
677	A	87.4	Confident	87.2	Confident	65 Å²	65	47.8 Å²	47.8	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-36.8	178.7	0	0	0	0	0	112	C675 E681	C675-A677 PolarHBondContact O-N 2.97Å; A677-E681 PolarHBondContact O-N 3.46Å
678	H	90.4	Very high	87.8	Confident	82 Å²	82	49.7 Å²	49.7	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-69.3	-44.3	178	-68.6	97.9	0	0	0	111.9	I601 I604 S674 C675 Q676 N680 E681 V682	I601-H678 HydrophobicContact CD1-CB 3.67Å; I601-H678 HydrophobicContact CG2-CB 4.22Å; I604-H678 HydrophobicContact CD1-CB 3.39Å; I604-H678 WeakPolarHBondContact CD1-O 3.48Å; S674-H678 PolarHBondContact O-ND1 3.49Å; C675-H678 WeakPolarHBondContact O-CB 3.27Å; C675-H678 PolarHBondContact O-N 3.05Å; C675-H678 VanDerWaalsContact O-N 3.09Å; Q676-H678 PolarHBondContact O-N 3.38Å; H678-N680 VanDerWaalsContact C-N 3.32Å; H678-N680 PolarHBondContact O-N 3.04Å; H678-E681 PolarHBondContact O-N 3.01Å; H678-V682 PolarHBondContact O-N 3.18Å; H678-V682 VanDerWaalsContact O-N 3.14Å
679	I	92.4	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-45.2	175	-63.3	163.9	0	0	0	110.6	F597 I601 M664 I666 C675 Q676 E681 V682 I683	F597-I679 HydrophobicContact CE2-CD1 3.77Å; F597-I679 HydrophobicContact CE2-CG1 3.94Å; F597-I679 HydrophobicContact CZ-CD1 3.98Å; F597-I679 HydrophobicContact CZ-CG1 4.16Å; I601-I679 HydrophobicContact CD1-CG1 3.84Å; M664-I679 HydrophobicContact CB-CG2 4.14Å; M664-I679 HydrophobicContact CE-CG2 4.4Å; M664-I679 HydrophobicContact SD-CB 4.48Å; M664-I679 HydrophobicContact SD-CG1 4.01Å; M664-I679 HydrophobicContact SD-CG2 4.03Å; I666-I679 HydrophobicContact CD1-CD1 3.79Å; I666-I679 HydrophobicContact CG1-CD1 3.54Å; C675-I679 HydrophobicContact CB-CD1 4.38Å; C675-I679 WeakPolarHBondContact O-CG1 3.48Å; C675-I679 PolarHBondContact O-N 3.3Å; Q676-I679 PolarHBondContact O-N 2.75Å; I679-E681 VanDerWaalsContact C-N 3.33Å; I679-E681 PolarHBondContact O-N 2.92Å; I679-V682 PolarHBondContact O-N 2.88Å; I679-I683 HydrophobicContact CG2-CG1 4.33Å; I679-I683 WeakPolarHBondContact O-CG1 3.41Å; I679-I683 PolarHBondContact O-N 3.47Å
680	N	93.1	Very high	89.8	Confident	11 Å²	11	43.2 Å²	43.2	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-42.3	179.4	-64	-3.5	0	0	0	111.4	A656 I657 Q676 H678 I683 K684	A656-N680 VanDerWaalsContact CB-O 3.31Å; A656-N680 WeakPolarHBondContact CB-O 3.43Å; I657-N680 WeakPolarHBondContact CG1-ND2 3.22Å; Q676-N680 PolarHBondContact NE2-OD1 3.37Å; Q676-N680 PolarHBondContact O-N 3.06Å; Q676-N680 PolarHBondContact O-OD1 3.29Å; Q676-N680 VanDerWaalsContact O-OD1 3.12Å; H678-N680 VanDerWaalsContact C-N 3.32Å; H678-N680 PolarHBondContact O-N 3.04Å; N680-I683 PolarHBondContact O-N 3.41Å; N680-K684 WeakPolarHBondContact O-CB 3.19Å; N680-K684 PolarHBondContact O-N 2.98Å
681	E	92.7	Very high	90.6	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-35.7	179.2	-172.9	63.6	-174.3	0	0	112.7	I604 R612 A677 H678 I679 K684 T685	I604-E681 HydrophobicContact CG2-CB 4.49Å; I604-E681 HydrophobicContact CG2-CG 4.15Å; R612-E681 IonicContact NH1-OE1 2.74Å; R612-E681 PolarHBondContact NH1-OE1 3.35Å; A677-E681 PolarHBondContact O-N 3.46Å; H678-E681 PolarHBondContact O-N 3.01Å; I679-E681 VanDerWaalsContact C-N 3.33Å; I679-E681 PolarHBondContact O-N 2.92Å; E681-K684 IonicContact OE1-NZ 3.91Å; E681-K684 PolarHBondContact OE1-NZ 3.05Å; E681-K684 WeakPolarHBondContact OE2-CD 3.21Å; E681-K684 IonicContact OE2-NZ 2.85Å; E681-K684 PolarHBondContact OE2-NZ 3.05Å; E681-T685 WeakPolarHBondContact O-CB 3.33Å; E681-T685 PolarHBondContact O-N 2.96Å; E681-T685 PolarHBondContact O-OG1 3.38Å
682	V	94.3	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-51	172.3	172	0	0	0	0	110.8	L600 I604 M664 H678 I679 K684 T685 I686	L600-V682 HydrophobicContact CB-CG1 4.43Å; L600-V682 HydrophobicContact CD2-CG1 4.42Å; I604-V682 HydrophobicContact CD1-CG2 3.7Å; I604-V682 HydrophobicContact CG1-CG2 3.61Å; M664-V682 HydrophobicContact CE-CG1 4.06Å; H678-V682 PolarHBondContact O-N 3.18Å; H678-V682 VanDerWaalsContact O-N 3.14Å; I679-V682 PolarHBondContact O-N 2.88Å; V682-K684 VanDerWaalsContact C-N 3.35Å; V682-K684 PolarHBondContact O-N 3.26Å; V682-T685 WeakPolarHBondContact O-CB 3.44Å; V682-T685 PolarHBondContact O-N 2.92Å; V682-T685 VanDerWaalsContact O-N 3.14Å; V682-I686 HydrophobicContact CG1-CD1 3.82Å; V682-I686 WeakPolarHBondContact O-CG1 3.4Å; V682-I686 PolarHBondContact O-N 2.87Å
683	I	96.5	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-40.3	-178.2	-64.4	-65.3	0	0	0	111.2	F592 F635 A656 F659 L663 M664 I679 N680 I686 I687	F592-I683 HydrophobicContact CD2-CD1 4.1Å; F592-I683 HydrophobicContact CE2-CD1 3.41Å; F592-I683 VanDerWaalsContact CE2-CD1 3.41Å; F592-I683 HydrophobicContact CZ-CD1 3.79Å; F635-I683 HydrophobicContact CE1-CG2 4.18Å; F635-I683 HydrophobicContact CZ-CD1 4.14Å; A656-I683 HydrophobicContact CB-CB 4.05Å; A656-I683 HydrophobicContact CB-CG2 3.85Å; F659-I683 HydrophobicContact CB-CG2 4.42Å; L663-I683 HydrophobicContact CD1-CD1 4.47Å; M664-I683 HydrophobicContact CE-CD1 4.06Å; M664-I683 HydrophobicContact CE-CG1 4.4Å; I679-I683 HydrophobicContact CG2-CG1 4.33Å; I679-I683 WeakPolarHBondContact O-CG1 3.41Å; I679-I683 PolarHBondContact O-N 3.47Å; N680-I683 PolarHBondContact O-N 3.41Å; I683-I686 PolarHBondContact O-N 3.15Å; I683-I687 HydrophobicContact CG2-CD1 4.07Å; I683-I687 WeakPolarHBondContact O-CG1 3.37Å; I683-I687 PolarHBondContact O-N 2.88Å
684	K	96.1	Very high	92.7	Very high	53 Å²	53	37.9 Å²	37.9	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-45.1	171.4	171.8	-176.2	147	-142.7	0	111.8	P652 Y653 A656 N680 E681 V682 I686 I687 I688	P652-K684 HydrophobicContact CB-CG 4.37Å; Y653-K684 HydrophobicContact CD2-CD 4.08Å; A656-K684 HydrophobicContact CB-CB 3.87Å; N680-K684 WeakPolarHBondContact O-CB 3.19Å; N680-K684 PolarHBondContact O-N 2.98Å; E681-K684 IonicContact OE1-NZ 3.91Å; E681-K684 PolarHBondContact OE1-NZ 3.05Å; E681-K684 WeakPolarHBondContact OE2-CD 3.21Å; E681-K684 IonicContact OE2-NZ 2.85Å; E681-K684 PolarHBondContact OE2-NZ 3.05Å; V682-K684 VanDerWaalsContact C-N 3.35Å; V682-K684 PolarHBondContact O-N 3.26Å; K684-I686 VanDerWaalsContact C-N 3.27Å; K684-I686 PolarHBondContact O-N 3.13Å; K684-I687 PolarHBondContact O-N 2.98Å; K684-I688 HydrophobicContact CG-CD1 3.77Å; K684-I688 WeakPolarHBondContact O-CG1 3.41Å; K684-I688 PolarHBondContact O-N 3.25Å
685	T	95.7	Very high	93.2	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-40.4	176.1	-55.9	0	0	0	0	110.9	R612 V613 I616 E681 V682 H689	R612-T685 HydrophobicContact CG-CG2 4.38Å; V613-T685 HydrophobicContact CG2-CG2 4.12Å; I616-T685 HydrophobicContact CD1-CG2 3.8Å; E681-T685 WeakPolarHBondContact O-CB 3.33Å; E681-T685 PolarHBondContact O-N 2.96Å; E681-T685 PolarHBondContact O-OG1 3.38Å; V682-T685 WeakPolarHBondContact O-CB 3.44Å; V682-T685 PolarHBondContact O-N 2.92Å; V682-T685 VanDerWaalsContact O-N 3.14Å; T685-H689 PolarHBondContact O-CD2 3.03Å; T685-H689 PolarHBondContact O-N 3.2Å
686	I	97	Very high	93.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-39.2	178	-61.3	165.7	0	0	0	112.1	F592 I616 L620 F635 V682 I683 K684 H690 I693 F694	F592-I686 HydrophobicContact CE1-CD1 3.76Å; F592-I686 HydrophobicContact CZ-CD1 3.72Å; I616-I686 HydrophobicContact CG2-CD1 4.09Å; I616-I686 HydrophobicContact CG2-CG1 3.85Å; L620-I686 HydrophobicContact CD1-CD1 4.22Å; F635-I686 HydrophobicContact CB-CG2 4.35Å; F635-I686 HydrophobicContact CD1-CB 4.21Å; F635-I686 HydrophobicContact CD1-CG2 3.55Å; F635-I686 HydrophobicContact CD2-CG2 3.74Å; F635-I686 HydrophobicContact CE1-CB 3.99Å; F635-I686 HydrophobicContact CE1-CG2 3.64Å; F635-I686 HydrophobicContact CE2-CG2 3.84Å; F635-I686 HydrophobicContact CG-CG2 3.61Å; F635-I686 HydrophobicContact CZ-CB 4.32Å; F635-I686 HydrophobicContact CZ-CG2 3.79Å; V682-I686 HydrophobicContact CG1-CD1 3.82Å; V682-I686 WeakPolarHBondContact O-CG1 3.4Å; V682-I686 PolarHBondContact O-N 2.87Å; I683-I686 PolarHBondContact O-N 3.15Å; K684-I686 VanDerWaalsContact C-N 3.27Å; K684-I686 PolarHBondContact O-N 3.13Å; I686-H690 WeakPolarHBondContact O-CA 3.26Å; I686-H690 WeakPolarHBondContact O-CB 3.45Å; I686-H690 PolarHBondContact O-N 3.43Å; I686-H690 VanDerWaalsContact O-N 3.13Å; I686-I693 HydrophobicContact CB-CD1 4.42Å; I686-I693 HydrophobicContact CG1-CD1 4.18Å; I686-F694 HydrophobicContact CG2-CE2 3.61Å; I686-F694 HydrophobicContact CG2-CZ 3.64Å
687	I	97.3	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-48.3	174.1	-67.4	165.2	0	0	0	110.4	F635 L638 N639 P652 L655 A656 I683 K684	F635-I687 HydrophobicContact CD1-CG1 3.7Å; F635-I687 HydrophobicContact CE1-CG1 3.86Å; L638-I687 HydrophobicContact CB-CD1 4.46Å; L638-I687 HydrophobicContact CB-CG1 4.16Å; L638-I687 HydrophobicContact CB-CG2 4.49Å; L638-I687 HydrophobicContact CD1-CD1 4.49Å; L638-I687 HydrophobicContact CD1-CG1 4.48Å; N639-I687 HydrophobicContact CB-CG2 4.43Å; N639-I687 WeakPolarHBondContact CB-O 3.44Å; N639-I687 PolarHBondContact ND2-O 2.87Å; P652-I687 HydrophobicContact CB-CG2 4.01Å; P652-I687 HydrophobicContact CG-CG2 4.48Å; L655-I687 HydrophobicContact CB-CD1 3.96Å; A656-I687 HydrophobicContact CB-CD1 4.4Å; I683-I687 HydrophobicContact CG2-CD1 4.07Å; I683-I687 WeakPolarHBondContact O-CG1 3.37Å; I683-I687 PolarHBondContact O-N 2.88Å; K684-I687 PolarHBondContact O-N 2.98Å
688	I	96.2	Very high	92.8	Very high	71 Å²	71	47.6 Å²	47.6	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-68.8	-39	-175.3	-64.7	169.3	0	0	0	111.8	P652 K684	P652-I688 HydrophobicContact CB-CD1 4.17Å; P652-I688 HydrophobicContact CB-CG1 3.84Å; P652-I688 HydrophobicContact CG-CG1 4.05Å; K684-I688 HydrophobicContact CG-CD1 3.77Å; K684-I688 WeakPolarHBondContact O-CG1 3.41Å; K684-I688 PolarHBondContact O-N 3.25Å
689	H	95.6	Very high	92.6	Very high	73 Å²	73	50.2 Å²	50.2	34%	0.338	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	27.9	-171.9	-58.3	-68.3	0	0	0	114.2	V613 T685 E691 A692 I693	V613-H689 HydrophobicContact CG1-CB 4.44Å; V613-H689 HydrophobicContact CG2-CB 3.77Å; T685-H689 PolarHBondContact O-CD2 3.03Å; T685-H689 PolarHBondContact O-N 3.2Å; H689-E691 VanDerWaalsContact C-N 3.27Å; H689-E691 PolarHBondContact O-N 2.91Å; H689-A692 PolarHBondContact O-N 3.35Å; H689-I693 HydrophobicContact CB-CD1 3.88Å; H689-I693 HydrophobicContact CB-CG1 4.37Å; H689-I693 WeakPolarHBondContact O-CG1 3.39Å; H689-I693 PolarHBondContact O-N 3.2Å; H689-I693 VanDerWaalsContact O-N 3.1Å
690	H	94.9	Very high	92.4	Very high	21 Å²	21	50.8 Å²	50.8	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-37.8	-173.1	72.3	90.9	0	0	0	113.8	F635 N639 I686 A692 I693 F694	F635-H690 HydrophobicContact CB-CB 4.03Å; N639-H690 WeakPolarHBondContact CB-CD2 3.45Å; N639-H690 WeakPolarHBondContact CB-NE2 3.37Å; N639-H690 VanDerWaalsContact CG-CD2 3.46Å; N639-H690 PolarHBondContact ND2-CD2 3.45Å; I686-H690 WeakPolarHBondContact O-CA 3.26Å; I686-H690 WeakPolarHBondContact O-CB 3.45Å; I686-H690 PolarHBondContact O-N 3.43Å; I686-H690 VanDerWaalsContact O-N 3.13Å; H690-A692 VanDerWaalsContact C-N 3.31Å; H690-A692 PolarHBondContact O-N 2.83Å; H690-I693 PolarHBondContact O-N 3.47Å; H690-F694 HydrophobicContact CB-CD2 3.99Å; H690-F694 HydrophobicContact CB-CE2 4.18Å; H690-F694 WeakPolarHBondContact O-CD2 3.2Å; H690-F694 PolarHBondContact O-N 2.96Å
691	E	92.8	Very high	92	Very high	167 Å²	167	58.9 Å²	58.9	78%	0.78	29%	0.29	S	S	*	.	H	α-helix	trans	-66.7	-29.4	178.9	-56.6	-168.2	148.9	0	0	113.5	H689	H689-E691 VanDerWaalsContact C-N 3.27Å; H689-E691 PolarHBondContact O-N 2.91Å
692	A	93.1	Very high	91.6	Very high	53 Å²	53	58 Å²	58	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-86.8	-20.8	176.1	0	0	0	0	0	112.6	V613 Q617 H689 H690	V613-A692 HydrophobicContact CG1-CB 3.94Å; Q617-A692 PolarHBondContact NE2-O 2.97Å; H689-A692 PolarHBondContact O-N 3.35Å; H690-A692 VanDerWaalsContact C-N 3.31Å; H690-A692 PolarHBondContact O-N 2.83Å
693	I	94.8	Very high	91.4	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-93.4	-38.4	-174.8	-70.4	169	0	0	0	112.1	V613 I616 L620 I686 H689 H690	V613-I693 HydrophobicContact CG1-CD1 4.48Å; V613-I693 HydrophobicContact CG1-CG1 3.89Å; I616-I693 HydrophobicContact CG2-CD1 4.21Å; I616-I693 HydrophobicContact CG2-CG2 4Å; L620-I693 HydrophobicContact CD1-CG2 3.76Å; I686-I693 HydrophobicContact CB-CD1 4.42Å; I686-I693 HydrophobicContact CG1-CD1 4.18Å; H689-I693 HydrophobicContact CB-CD1 3.88Å; H689-I693 HydrophobicContact CB-CG1 4.37Å; H689-I693 WeakPolarHBondContact O-CG1 3.39Å; H689-I693 PolarHBondContact O-N 3.2Å; H689-I693 VanDerWaalsContact O-N 3.1Å; H690-I693 PolarHBondContact O-N 3.47Å
694	F	94.8	Very high	91	Very high	10 Å²	10	63.6 Å²	63.6	4%	0.044	33%	0.328	C	S	.	.	S	Bend	trans	-100.1	140.3	-177.3	-62.7	-66.1	0	0	0	112.2	L620 I628 M631 R632 F635 I686 H690 S696	L620-F694 HydrophobicContact CD1-CE1 3.88Å; L620-F694 HydrophobicContact CD1-CZ 4.08Å; I628-F694 HydrophobicContact CG2-CD1 4.25Å; M631-F694 HydrophobicContact CB-CD1 4.25Å; M631-F694 HydrophobicContact CB-CE1 3.49Å; M631-F694 VanDerWaalsContact CB-CE1 3.49Å; M631-F694 HydrophobicContact CB-CZ 3.76Å; M631-F694 HydrophobicContact CG-CE1 4.28Å; M631-F694 HydrophobicContact SD-CE1 3.8Å; M631-F694 HydrophobicContact SD-CZ 4.23Å; R632-F694 HydrophobicContact CB-CB 3.94Å; R632-F694 HydrophobicContact CB-CD1 4.48Å; R632-F694 HydrophobicContact CB-CG 4.07Å; R632-F694 HydrophobicContact CG-CB 3.86Å; R632-F694 HydrophobicContact CG-CG 4.41Å; F635-F694 HydrophobicContact CB-CD2 4.46Å; F635-F694 HydrophobicContact CB-CE2 3.69Å; F635-F694 HydrophobicContact CB-CZ 4.43Å; F635-F694 AromaticContact CD2-CE2 3.79Å; F635-F694 HydrophobicContact CD2-CE2 3.79Å; F635-F694 AromaticContact CD2-CZ 3.65Å; F635-F694 HydrophobicContact CD2-CZ 3.65Å; F635-F694 HydrophobicContact CE2-CZ 4.29Å; F635-F694 AromaticContact CG-CE2 3.94Å; F635-F694 HydrophobicContact CG-CE2 3.94Å; F635-F694 HydrophobicContact CG-CZ 4.26Å; I686-F694 HydrophobicContact CG2-CE2 3.61Å; I686-F694 HydrophobicContact CG2-CZ 3.64Å; H690-F694 HydrophobicContact CB-CD2 3.99Å; H690-F694 HydrophobicContact CB-CE2 4.18Å; H690-F694 WeakPolarHBondContact O-CD2 3.2Å; H690-F694 PolarHBondContact O-N 2.96Å; F694-S696 PolarHBondContact O-N 2.77Å
695	P	90.6	Very high	90.8	Very high	31 Å²	31	61.9 Å²	61.9	20%	0.201	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58.7	138.9	178.7	-23.5	33.3	0	0	0	112.7	I628 R632 E699 L700	I628-P695 HydrophobicContact CG2-CG 4.33Å; R632-P695 VanDerWaalsContact CD-O 3.28Å; R632-P695 WeakPolarHBondContact CD-O 3.29Å; R632-P695 PolarHBondContact NH1-O 2.71Å; P695-E699 HydrophobicContact CB-CB 3.94Å; P695-L700 HydrophobicContact CB-CB 3.88Å
696	S	86	Confident	90.3	Very high	44 Å²	44	67.4 Å²	67.4	31%	0.308	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-62.3	164.2	178.9	70.2	0	0	0	0	111.9	R632 F694 R698 E699 L700	R632-S696 PolarHBondContact NH1-O 3.12Å; F694-S696 PolarHBondContact O-N 2.77Å; S696-R698 PolarHBondContact O-N 3.03Å; S696-E699 VanDerWaalsContact CB-OE2 3.24Å; S696-E699 WeakPolarHBondContact CB-OE2 3.33Å; S696-E699 PolarHBondContact N-OE2 3.32Å; S696-E699 PolarHBondContact O-N 3.48Å; S696-E699 VanDerWaalsContact OG-CD 3.28Å; S696-E699 WeakPolarHBondContact OG-CG 3.37Å; S696-E699 PolarHBondContact OG-OE2 3.05Å; S696-L700 PolarHBondContact O-N 3.47Å
697	P	82.8	Confident	89.7	Confident	78 Å²	78	72.5 Å²	72.5	51%	0.506	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.1	178	-23.6	35.3	0	0	0	113.9	V704	P697-V704 HydrophobicContact CB-CG2 3.99Å; P697-V704 HydrophobicContact CG-CG2 3.61Å
698	R	82.4	Confident	88	Confident	245 Å²	245	77.5 Å²	77.5	93%	0.925	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.2	175.5	-64.2	-178.6	178.5	177.7	0.1	113.4	S696	S696-R698 PolarHBondContact O-N 3.03Å
699	E	86.6	Confident	85.9	Confident	137 Å²	137	75.9 Å²	75.9	64%	0.64	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-31.7	-176.7	-65.9	161.4	131.7	0	0	112	P695 S696	P695-E699 HydrophobicContact CB-CB 3.94Å; S696-E699 VanDerWaalsContact CB-OE2 3.24Å; S696-E699 WeakPolarHBondContact CB-OE2 3.33Å; S696-E699 PolarHBondContact N-OE2 3.32Å; S696-E699 PolarHBondContact O-N 3.48Å; S696-E699 VanDerWaalsContact OG-CD 3.28Å; S696-E699 WeakPolarHBondContact OG-CG 3.37Å; S696-E699 PolarHBondContact OG-OE2 3.05Å
700	L	87.9	Confident	83.4	Confident	12 Å²	12	75.4 Å²	75.4	6%	0.063	40%	0.402	C	S	.	.	S	Bend	trans	-136.2	103	175.2	-175.4	59.7	0	0	0	110.8	R625 I628 V629 R632 P695 S696	R625-L700 HydrophobicContact CB-CD1 4.13Å; R625-L700 HydrophobicContact CG-CD1 4.04Å; I628-L700 HydrophobicContact CB-CD2 3.9Å; I628-L700 HydrophobicContact CG2-CD2 3.58Å; V629-L700 HydrophobicContact CG2-CD2 3.87Å; V629-L700 HydrophobicContact CG2-CG 3.98Å; R632-L700 PolarHBondContact NH1-O 2.85Å; R632-L700 PolarHBondContact NH2-O 3.11Å; P695-L700 HydrophobicContact CB-CB 3.88Å; S696-L700 PolarHBondContact O-N 3.47Å
701	E	83.8	Confident	80.6	Confident	181 Å²	181	77.2 Å²	77.2	85%	0.846	43%	0.426	S	S	*	.			trans	-60.7	144.1	172.8	-172.6	177.2	-161.3	0	0	111.6
702	G	85.4	Confident	77.6	Confident	29 Å²	29	73 Å²	73	30%	0.299	43%	0.427	S	S	.	.	S	Bend	trans	138	168.2	-174.8	0	0	0	0	0	110.8	R632	R632-G702 PolarHBondContact NH2-O 2.71Å
703	P	88.8	Confident	74.6	Confident	51 Å²	51	79.5 Å²	79.5	33%	0.331	45%	0.448	S	S	.	.			trans	-56	156.4	-176.4	-26.5	35	0	0	0	113.9	A518 I519 R632	A518-P703 VanDerWaalsContact CB-CD 3.47Å; A518-P703 HydrophobicContact CB-CG 3.83Å; I519-P703 HydrophobicContact CD1-CB 3.82Å; I519-P703 HydrophobicContact CD1-CG 4.2Å; I519-P703 HydrophobicContact CG1-CB 4.34Å; I519-P703 HydrophobicContact CG1-CG 4.18Å; R632-P703 PolarHBondContact NH2-O 3.09Å
704	V	88.6	Confident	71.5	Confident	67 Å²	67	88.4 Å²	88.4	41%	0.406	49%	0.49	S	S	.	.			trans	-125.9	144.1	177	-174	0	0	0	0	106.7	P697 E706	P697-V704 HydrophobicContact CB-CG2 3.99Å; P697-V704 HydrophobicContact CG-CG2 3.61Å; V704-E706 PolarHBondContact O-N 3.1Å
705	Y	91.1	Very high	68.5	Low	17 Å²	17	98.7 Å²	98.7	7%	0.067	53%	0.53	C	S	.	.			trans	-80.8	117.5	176.2	169.6	-97.5	0	0	0	109.6	I527 N531 Y633 A636 F637 H640 K707 M709	I527-Y705 HydrophobicContact CG2-CD2 3.86Å; I527-Y705 HydrophobicContact CG2-CE2 3.71Å; N531-Y705 VanDerWaalsContact CG-OH 3.26Å; N531-Y705 PolarHBondContact OD1-OH 2.9Å; Y633-Y705 HydrophobicContact CE1-CD2 4.47Å; Y633-Y705 HydrophobicContact CE2-CD2 4.33Å; A636-Y705 HydrophobicContact CB-CD1 3.93Å; A636-Y705 HydrophobicContact CB-CG 4.3Å; F637-Y705 HydrophobicContact CB-CD1 4.31Å; F637-Y705 HydrophobicContact CB-CD2 3.88Å; F637-Y705 HydrophobicContact CB-CE1 4.24Å; F637-Y705 HydrophobicContact CB-CE2 3.82Å; F637-Y705 HydrophobicContact CB-CG 4.12Å; F637-Y705 AromaticContact CD2-CE2 3.87Å; F637-Y705 HydrophobicContact CD2-CE2 3.87Å; F637-Y705 AromaticContact CD2-CZ 3.88Å; F637-Y705 HydrophobicContact CG-CE2 4.28Å; H640-Y705 HydrophobicContact CB-CE1 3.72Å; H640-Y705 AromaticContact ND1-CE1 3.93Å; H640-Y705 AromaticContact ND1-CZ 3.82Å; H640-Y705 PolarHBondContact ND1-OH 3.13Å; Y705-K707 HydrophobicContact CE1-CG 4.44Å; Y705-M709 HydrophobicContact CD2-CE 3.52Å; Y705-M709 HydrophobicContact CE2-CE 3.85Å; Y705-M709 HydrophobicContact CG-CE 4.38Å
706	E	86.5	Confident	65.5	Low	125 Å²	125	102.3 Å²	102.3	58%	0.584	56%	0.555	S	S	*	*			trans	-92.2	133.4	174.2	-64.6	179.6	175.9	0	0	110.1	V704 C708 M709	V704-E706 PolarHBondContact O-N 3.1Å; E706-C708 VanDerWaalsContact C-N 3.29Å; E706-C708 PolarHBondContact O-N 3.19Å; E706-M709 HydrophobicContact CB-CE 4.35Å; E706-M709 HydrophobicContact CB-SD 4.3Å; E706-M709 WeakPolarHBondContact O-CE 3.39Å; E706-M709 WeakPolarHBondContact O-CG 3.29Å
707	K	84	Confident	62.7	Low	108 Å²	108	107 Å²	107	47%	0.47	58%	0.576	S	S	.	*	S	Bend	trans	-62.3	-39.9	176.5	-66	-171.9	178.4	-171.2	0	111.4	N531 H640 Y705 M709	N531-K707 PolarHBondContact ND2-O 3.17Å; H640-K707 HydrophobicContact CB-CG 4.45Å; Y705-K707 HydrophobicContact CE1-CG 4.44Å; K707-M709 PolarHBondContact O-N 3.37Å
708	C	60.9	Low	60	Low	105 Å²	105	108.2 Å²	108.2	71%	0.709	59%	0.587	S	S	*	*	S	Bend	trans	-97.7	80.1	179.5	-58.7	0	0	0	0	110.6	E706 A710	E706-C708 VanDerWaalsContact C-N 3.29Å; E706-C708 PolarHBondContact O-N 3.19Å; C708-A710 PolarHBondContact O-N 3.24Å
709	M	52.7	Low	57.9	Low	36 Å²	36	101.5 Å²	101.5	18%	0.177	58%	0.575	C	S	.	*			trans	-70.5	41.8	177	-70.3	-68.5	-175	0	0	114	R528 Y633 Y705 E706 K707 G711	R528-M709 HydrophobicContact CG-CB 4.43Å; Y633-M709 HydrophobicContact CE2-CE 4.1Å; Y633-M709 VanDerWaalsContact OH-CE 3.23Å; Y633-M709 WeakPolarHBondContact OH-CE 3.24Å; Y705-M709 HydrophobicContact CD2-CE 3.52Å; Y705-M709 HydrophobicContact CE2-CE 3.85Å; Y705-M709 HydrophobicContact CG-CE 4.38Å; E706-M709 HydrophobicContact CB-CE 4.35Å; E706-M709 HydrophobicContact CB-SD 4.3Å; E706-M709 WeakPolarHBondContact O-CE 3.39Å; E706-M709 WeakPolarHBondContact O-CG 3.29Å; K707-M709 PolarHBondContact O-N 3.37Å; M709-G711 PolarHBondContact O-N 2.92Å
710	A	42.3	Very low	55.4	Low	64 Å²	64	103.9 Å²	103.9	53%	0.529	59%	0.586	S	S	.	*			trans	-91.8	86.4	169.5	0	0	0	0	0	108.1	C708 G712	C708-A710 PolarHBondContact O-N 3.24Å; A710-G712 PolarHBondContact O-N 3.36Å
711	G	36.8	Very low	52.6	Low	58 Å²	58	109.2 Å²	109.2	60%	0.598	63%	0.625	S	S	*	*			trans	-44.6	128	-173.9	0	0	0	0	0	113.3	M709	M709-G711 PolarHBondContact O-N 2.92Å
712	G	30.5	Very low	50	Low	79 Å²	79	109.7 Å²	109.7	81%	0.814	63%	0.627	S	S	*	*			trans	-76.7	139.7	-165.6	0	0	0	0	0	114.7	A710	A710-G712 PolarHBondContact O-N 3.36Å
713	E	29.6	Very low	47.4	Very low	189 Å²	189	114.4 Å²	114.4	88%	0.883	65%	0.652	S	S	*	*			trans	-102.5	157.7	149.1	-69.1	-166	146.3	0	0	108.9	Y715	E713-Y715 PolarHBondContact O-N 2.95Å; E713-Y715 VanDerWaalsContact O-N 3.15Å
714	E	29.5	Very low	44.5	Very low	191 Å²	191	115.9 Å²	115.9	89%	0.893	68%	0.677	S	S	*	*			trans	-65.3	112.1	-163.7	-62.8	171.1	126.9	0	0	112.8	C716	E714-C716 PolarHBondContact O-N 2.99Å; E714-C716 VanDerWaalsContact O-N 3.1Å
715	Y	30.9	Very low	41.7	Very low	225 Å²	225	118.9 Å²	118.9	88%	0.882	70%	0.695	S	S	*	*			trans	-67.9	106.9	164.8	-162.8	-86.1	0	0	0	108	E713 D717	E713-Y715 PolarHBondContact O-N 2.95Å; E713-Y715 VanDerWaalsContact O-N 3.15Å; Y715-D717 PolarHBondContact O-N 2.97Å
716	C	28.1	Very low	38.9	Very low	108 Å²	108	125 Å²	125	73%	0.73	73%	0.727	S	S	*	*			trans	-63.8	96.9	-179.7	-80.7	0	0	0	0	111.3	E714 S718	E714-C716 PolarHBondContact O-N 2.99Å; E714-C716 VanDerWaalsContact O-N 3.1Å; C716-S718 PolarHBondContact O-N 3.32Å
717	D	27.5	Very low	36.3	Very low	141 Å²	141	127 Å²	127	75%	0.754	74%	0.742	S	S	*	*			trans	-49	122.3	170.6	-176.3	20.7	0	0	0	110.8	Y715	Y715-D717 PolarHBondContact O-N 2.97Å
718	S	26.7	Very low	33.9	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	76%	0.757	S	S	*	*			trans	-96.2	108	173.3	-72.8	0	0	0	0	107.5	C716 H720	C716-S718 PolarHBondContact O-N 3.32Å; S718-H720 PolarHBondContact O-N 3.4Å
719	P	37.2	Very low	32.7	Very low	103 Å²	103	131 Å²	131	67%	0.669	76%	0.761	S	S	*	*			trans	-65.2	128.1	-170.7	26.8	-34.9	0	0	0	110.1
720	H	35	Very low	31.6	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.866	79%	0.787	S	S	*	*			trans	172.5	72.6	145.1	-95	88.9	0	0	0	110.4	S718	S718-H720 PolarHBondContact O-N 3.4Å
721	S	28.5	Very low	31	Very low	125 Å²	125	140.8 Å²	140.8	87%	0.874	80%	0.799	S	S	*	*			trans	-164.5	97.9	159.3	-81.7	0	0	0	0	110.8
722	E	28.8	Very low	30.7	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	81%	0.806	S	S	*	*			trans	-78.8	149	165.1	-77.6	-166.9	137.1	0	0	110.7	G724	E722-G724 PolarHBondContact O-N 2.95Å
723	P	32.1	Very low	30.5	Very low	128 Å²	128	147.6 Å²	147.6	83%	0.831	80%	0.803	S	S	*	*			trans	-77.5	111.8	-176.6	30.2	-34.3	0	0	0	112.5
724	G	27.5	Very low	30.5	Very low	82 Å²	82	142 Å²	142	85%	0.845	80%	0.796	S	S	*	*			trans	-77	134.3	168	0	0	0	0	0	112.2	E722	E722-G724 PolarHBondContact O-N 2.95Å
725	T	29.9	Very low	30.5	Very low	129 Å²	129	139.5 Å²	139.5	79%	0.791	79%	0.794	S	S	*	*			trans	-92	140.2	-178	50.6	0	0	0	0	113.5
726	I	32.6	Very low	30.4	Very low	146 Å²	146	137 Å²	137	75%	0.749	79%	0.791	S	S	*	*			trans	18	120.7	140.9	-56.3	165.8	0	0	0	117.1
727	D	31.3	Very low	30.6	Very low	166 Å²	166	137.6 Å²	137.6	89%	0.888	79%	0.793	S	S	*	*				-156.3	165.6	125.1	-105.8	-24.3	0	0	0	110.3
728	E	34	Very low	30.5	Very low	169 Å²	169	139.6 Å²	139.6	79%	0.79	80%	0.797	S	S	*	*			trans	-103.1	168.8	-162.8	-55.1	-175.5	134.7	0	0	115.6
729	V	34.5	Very low	30.6	Very low	129 Å²	129	140.4 Å²	140.4	78%	0.782	80%	0.798	S	S	*	*			trans	58.8	141.9	167.8	-94.8	0	0	0	0	117.2
730	D	30.2	Very low	30.2	Very low	137 Å²	137	141 Å²	141	73%	0.733	81%	0.805	S	S	*	*			cis	-156	-170.4	43	-141.3	-26	0	0	0	114.9
731	H	30.2	Very low	29.9	Very low	168 Å²	168	139 Å²	139	78%	0.778	80%	0.8	S	S	*	*			trans	-70.8	141.8	-160.4	-76.8	72.3	0	0	0	120.8
732	D	29.3	Very low	30.1	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	80%	0.8	S	S	*	*			trans	80.6	153.2	130.2	-165.8	41.1	0	0	0	122.9
733	N	27.8	Very low	30.3	Very low	140 Å²	140	141.9 Å²	141.9	75%	0.749	80%	0.8	S	S	*	*			trans	68.8	70.5	167.8	-94.5	-68.9	0	0	0	120.3
734	G	29.5	Very low	30.7	Very low	71 Å²	71	140.1 Å²	140.1	73%	0.732	79%	0.787	S	S	*	*				62	111.8	117.7	0	0	0	0	0	121.9
735	T	28.9	Very low	31.6	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	78%	0.784	S	S	*	*			trans	-167.4	127.2	133	-71.5	0	0	0	0	108.1
736	E	28.4	Very low	33.2	Very low	173 Å²	173	144.3 Å²	144.3	81%	0.808	78%	0.775	S	S	*	*			trans	-80.9	131.9	173.7	-66.6	-177	148.4	0	0	111.2
737	P	32.8	Very low	35.7	Very low	120 Å²	120	140 Å²	140	78%	0.779	75%	0.753	S	S	*	*			trans	-99.3	112.4	163.7	33.4	-25	0	0	0	110.3	T739	P737-T739 PolarHBondContact O-N 3.22Å
738	H	25	Very low	38.5	Very low	182 Å²	182	137 Å²	137	84%	0.843	73%	0.734	S	S	*	*			trans	-44.8	127.5	179.8	-53.5	-87.2	0	0	0	114.4
739	T	29.7	Very low	41.3	Very low	122 Å²	122	129 Å²	129	75%	0.748	70%	0.696	S	S	*	*			trans	-72.8	133.6	152.1	45.9	0	0	0	0	108.7	P737 D741	P737-T739 PolarHBondContact O-N 3.22Å; T739-D741 PolarHBondContact O-N 2.69Å
740	S	27.5	Very low	44.2	Very low	117 Å²	117	126 Å²	126	82%	0.818	68%	0.676	S	S	*	*			trans	-76.3	114	175.5	53	0	0	0	0	110.4
741	D	29.1	Very low	47.2	Very low	143 Å²	143	119.6 Å²	119.6	77%	0.765	64%	0.641	S	S	*	*			trans	-61.4	145.5	174.4	-65.8	-55.2	0	0	0	112	T739	T739-D741 PolarHBondContact O-N 2.69Å
742	E	33.1	Very low	50.2	Low	186 Å²	186	116.6 Å²	116.6	87%	0.869	63%	0.626	S	S	*	*			trans	-76.7	120.8	153.1	-68.1	-172.9	126	0	0	107.5	V744	E742-V744 PolarHBondContact O-N 3.11Å
743	E	32.3	Very low	53	Low	192 Å²	192	114.5 Å²	114.5	90%	0.897	61%	0.61	S	S	*	*			trans	-68.5	89.2	179.8	-70.1	-176.3	132	0	0	111.1	E745	E743-E745 PolarHBondContact O-N 2.88Å
744	V	41.4	Very low	56	Low	91 Å²	91	112.9 Å²	112.9	55%	0.552	60%	0.602	S	S	*	*			trans	-64.2	120.4	163.1	-180	0	0	0	0	107.9	E742 Q746	E742-V744 PolarHBondContact O-N 3.11Å; V744-Q746 WeakPolarHBondContact O-CG 3.39Å; V744-Q746 PolarHBondContact O-N 3.07Å
745	E	47	Very low	59.1	Low	170 Å²	170	110.7 Å²	110.7	79%	0.794	57%	0.571	S	S	*	*			trans	-55.3	109.7	178.7	-72.7	-179.6	125.9	0	0	110.8	E743 I747	E743-E745 PolarHBondContact O-N 2.88Å; E745-I747 PolarHBondContact O-N 2.75Å
746	Q	61.9	Low	62.2	Low	129 Å²	129	111.5 Å²	111.5	60%	0.603	57%	0.567	S	S	*	*			trans	-84	109	-179.7	-58.1	-177.9	7.3	0	0	109.1	V744 L772 Y774	V744-Q746 WeakPolarHBondContact O-CG 3.39Å; V744-Q746 PolarHBondContact O-N 3.07Å; Q746-L772 HydrophobicContact CB-CD1 3.85Å; Q746-L772 HydrophobicContact CB-CD2 4.48Å; Q746-L772 HydrophobicContact CB-CG 4.19Å; Q746-Y774 HydrophobicContact CG-CE1 4.44Å
747	I	85.8	Confident	65.1	Low	54 Å²	54	104.2 Å²	104.2	28%	0.277	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.9	-173.8	-64.3	165.4	0	0	0	109	E745 L773 W782 V800	E745-I747 PolarHBondContact O-N 2.75Å; I747-L773 HydrophobicContact CB-CB 4.21Å; I747-L773 HydrophobicContact CG2-CD1 4.24Å; I747-L773 PolarHBondContact N-O 2.87Å; I747-L773 PolarHBondContact O-N 3.24Å; I747-W782 HydrophobicContact CD1-CH2 4.3Å; I747-W782 HydrophobicContact CD1-CZ3 4.06Å; I747-V800 HydrophobicContact CG2-CG1 3.55Å
748	E	90.7	Very high	67.6	Low	104 Å²	104	109.1 Å²	109.1	49%	0.486	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.9	173.7	-75.8	-158.3	-148.4	0	0	112.3	L772 Q801	E748-L772 HydrophobicContact CG-CD1 4.28Å; E748-Q801 PolarHBondContact O-N 3.13Å
749	A	93.1	Very high	70.5	Confident	0 Å²	0	102.8 Å²	102.8	0%	0	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153	176.2	0	0	0	0	0	111.7	L771 L773 I798 V799 V800	A749-L771 PolarHBondContact N-O 2.97Å; A749-L771 PolarHBondContact O-N 3.34Å; A749-L773 HydrophobicContact CB-CD1 3.81Å; A749-L773 HydrophobicContact CB-CD2 4.31Å; A749-L773 HydrophobicContact CB-CG 4.01Å; A749-I798 HydrophobicContact CB-CB 4.38Å; A749-I798 HydrophobicContact CB-CD1 4.05Å; A749-V799 CarbonylContact C-O 3.5Å; A749-V799 VanDerWaalsContact CA-O 3.22Å; A749-V799 WeakPolarHBondContact CA-O 3.37Å; A749-V799 WeakPolarHBondContact CB-O 3.34Å; A749-V800 HydrophobicContact CB-CG2 4.5Å
750	I	93.5	Very high	72.8	Confident	68 Å²	68	104 Å²	104	35%	0.349	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.4	177.7	-61.6	-178.5	0	0	0	110.3	K752 A769 I798 V799 Q801	I750-K752 PolarHBondContact O-N 2.95Å; I750-A769 WeakPolarHBondContact CA-O 3.49Å; I750-I798 CarbonylContact O-C 3.51Å; I750-I798 WeakPolarHBondContact O-CA 3.42Å; I750-V799 PolarHBondContact N-O 3.36Å; I750-V799 PolarHBondContact O-N 3.3Å; I750-Q801 VanDerWaalsContact CD1-NE2 3.34Å
751	A	94.6	Very high	75.6	Confident	2 Å²	2	105.1 Å²	105.1	2%	0.017	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	115.8	174.3	0	0	0	0	0	112.1	F765 K766 K767 G768 A769 L771	A751-F765 HydrophobicContact CB-CD2 3.47Å; A751-F765 VanDerWaalsContact CB-CD2 3.47Å; A751-F765 HydrophobicContact CB-CE2 3.79Å; A751-F765 HydrophobicContact CB-CG 4.47Å; A751-K766 WeakPolarHBondContact CB-O 3.41Å; A751-K767 CarbonylContact O-C 3.54Å; A751-K767 WeakPolarHBondContact O-CA 3.5Å; A751-G768 PolarHBondContact O-N 2.62Å; A751-A769 HydrophobicContact CB-CB 4.24Å; A751-A769 PolarHBondContact N-O 2.85Å; A751-L771 HydrophobicContact CB-CD1 4.11Å
752	K	92.2	Very high	78.7	Confident	104 Å²	104	99.9 Å²	99.9	45%	0.452	49%	0.486	S	S	.	.	S	Bend	trans	-76.3	-29.2	178.8	-168.1	175.3	-178.6	171.8	0	112.7	I750 K767 Y797 V799	I750-K752 PolarHBondContact O-N 2.95Å; K752-K767 WeakPolarHBondContact O-CD 3.34Å; K752-K767 WeakPolarHBondContact O-CE 3.27Å; K752-K767 WeakPolarHBondContact O-CG 3.46Å; K752-K767 PolarHBondContact O-NZ 3.31Å; K752-Y797 WeakPolarHBondContact CB-O 3.48Å; K752-Y797 PolarHBondContact N-O 3.01Å; K752-V799 HydrophobicContact CB-CG2 4.23Å; K752-V799 HydrophobicContact CD-CG2 3.99Å; K752-V799 HydrophobicContact CG-CG2 4.26Å
753	F	89.1	Confident	81.6	Confident	98 Å²	98	91.6 Å²	91.6	43%	0.43	45%	0.447	S	S	.	.	S	Bend	trans	-140.6	164.1	-178.3	-55.7	-67.7	0	0	0	110.4	Y797	F753-Y797 HydrophobicContact CB-CD1 3.83Å; F753-Y797 HydrophobicContact CB-CE1 4.25Å; F753-Y797 HydrophobicContact CD2-CD1 4.43Å
754	D	91.4	Very high	84.5	Confident	105 Å²	105	85.5 Å²	85.5	56%	0.561	43%	0.426	S	S	*	.			trans	-68.6	138.5	166.8	-69.1	-24.3	0	0	0	109.5	K766 K767	D754-K766 VanDerWaalsContact OD1-CA 3.23Å; D754-K766 WeakPolarHBondContact OD1-CA 3.34Å; D754-K766 WeakPolarHBondContact OD1-CB 3.34Å; D754-K767 PolarHBondContact OD1-N 3.33Å
755	Y	94.7	Very high	87.1	Confident	25 Å²	25	81.6 Å²	81.6	10%	0.098	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-135	137.2	177.5	-173.2	-105.8	0	0	0	111.8	E762 L763 S764 F765 W781 P794 Y797	Y755-E762 HydrophobicContact CE1-CB 4.43Å; Y755-E762 PolarHBondContact OH-OE2 3.05Å; Y755-L763 WeakPolarHBondContact CD1-O 3.4Å; Y755-S764 WeakPolarHBondContact O-CA 3.48Å; Y755-F765 VanDerWaalsContact CB-CE2 3.48Å; Y755-F765 HydrophobicContact CD1-CD1 4.4Å; Y755-F765 AromaticContact CD1-CE1 3.83Å; Y755-F765 HydrophobicContact CD1-CE1 3.83Å; Y755-F765 HydrophobicContact CD1-CZ 4.01Å; Y755-F765 HydrophobicContact CG-CE1 4.29Å; Y755-F765 HydrophobicContact CG-CE2 4.39Å; Y755-F765 HydrophobicContact CG-CZ 4.01Å; Y755-F765 PolarHBondContact N-O 3.02Å; Y755-F765 PolarHBondContact O-N 2.86Å; Y755-W781 WeakPolarHBondContact OH-CH2 3.24Å; Y755-P794 HydrophobicContact CD1-CG 3.81Å; Y755-P794 HydrophobicContact CD2-CG 3.86Å; Y755-P794 HydrophobicContact CE1-CG 3.69Å; Y755-P794 HydrophobicContact CE2-CG 3.75Å; Y755-P794 HydrophobicContact CG-CG 3.9Å; Y755-Y797 AromaticContact CD2-CD1 3.67Å; Y755-Y797 HydrophobicContact CD2-CD1 3.67Å; Y755-Y797 HydrophobicContact CD2-CD2 4.22Å; Y755-Y797 AromaticContact CD2-CE1 3.72Å; Y755-Y797 HydrophobicContact CD2-CE1 3.72Å; Y755-Y797 HydrophobicContact CD2-CE2 4.27Å; Y755-Y797 AromaticContact CD2-CG 3.95Å; Y755-Y797 HydrophobicContact CD2-CG 3.95Å; Y755-Y797 HydrophobicContact CG-CD1 4.13Å; Y755-Y797 HydrophobicContact CG-CG 4.39Å
756	M	93.4	Very high	89.3	Confident	156 Å²	156	80.8 Å²	80.8	77%	0.768	40%	0.395	S	S	*	.			trans	-125.9	113.1	179.1	-174	-178.9	-64.4	0	0	107.9
757	G	89.2	Confident	90.8	Very high	21 Å²	21	81.3 Å²	81.3	22%	0.216	40%	0.395	C	S	.	.			trans	-63.3	141.7	-179.6	0	0	0	0	0	112	E762 S764	G757-E762 VanDerWaalsContact CA-CB 3.44Å; G757-S764 PolarHBondContact N-OG 3.42Å
758	R	85.5	Confident	90.8	Very high	222 Å²	222	81.5 Å²	81.5	84%	0.838	41%	0.411	S	S	*	.	S	Bend	trans	-98.7	-19.4	-176.3	-57.2	178.7	179.3	178.4	1.1	112.7	E762	R758-E762 WeakPolarHBondContact CB-OE2 3.3Å; R758-E762 PolarHBondContact N-OE2 3Å
759	S	85.9	Confident	90.9	Very high	49 Å²	49	77.5 Å²	77.5	34%	0.343	40%	0.395	S	S	.	.	S	Bend	trans	-124.4	164.1	173	71.8	0	0	0	0	111.4	R761 E762	S759-R761 PolarHBondContact O-N 3.02Å; S759-R761 VanDerWaalsContact O-N 3.13Å; S759-E762 WeakPolarHBondContact CB-OE1 3.37Å; S759-E762 PolarHBondContact N-OE1 3.34Å; S759-E762 PolarHBondContact O-N 3.49Å; S759-E762 WeakPolarHBondContact OG-CG 3.48Å; S759-E762 PolarHBondContact OG-OE1 2.64Å
760	P	76.5	Confident	90.9	Very high	147 Å²	147	80.6 Å²	80.6	96%	0.955	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.2	178.5	-23.4	35.2	0	0	0	115.4
761	R	87.4	Confident	90.9	Very high	141 Å²	141	77.4 Å²	77.4	53%	0.532	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.3	173.6	-69.7	-163.7	-169.5	154.7	15.4	113.3	D646 S759 G791 L792	D646-R761 IonicContact OD1-NH2 3.29Å; D646-R761 IonicContact OD2-CZ 2.66Å; D646-R761 IonicContact OD2-NH1 3.81Å; D646-R761 PolarHBondContact OD2-NH1 2.98Å; D646-R761 IonicContact OD2-NH2 3.86Å; D646-R761 PolarHBondContact OD2-NH2 3.33Å; S759-R761 PolarHBondContact O-N 3.02Å; S759-R761 VanDerWaalsContact O-N 3.13Å; R761-G791 CarbonylContact O-C 3.59Å; R761-G791 WeakPolarHBondContact O-CA 3.31Å; R761-L792 HydrophobicContact CB-CD1 4.32Å; R761-L792 PolarHBondContact O-N 3.31Å
762	E	93.9	Very high	90.9	Very high	34 Å²	34	79.1 Å²	79.1	16%	0.159	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-87.3	116.3	-176.5	-71.2	160.1	-116.4	0	0	111	Y755 G757 R758 S759 S764 W781	Y755-E762 HydrophobicContact CE1-CB 4.43Å; Y755-E762 PolarHBondContact OH-OE2 3.05Å; G757-E762 VanDerWaalsContact CA-CB 3.44Å; R758-E762 WeakPolarHBondContact CB-OE2 3.3Å; R758-E762 PolarHBondContact N-OE2 3Å; S759-E762 WeakPolarHBondContact CB-OE1 3.37Å; S759-E762 PolarHBondContact N-OE1 3.34Å; S759-E762 PolarHBondContact O-N 3.49Å; S759-E762 WeakPolarHBondContact OG-CG 3.48Å; S759-E762 PolarHBondContact OG-OE1 2.64Å; E762-S764 PolarHBondContact O-N 3.21Å; E762-W781 HydrophobicContact CG-CH2 3.76Å; E762-W781 HydrophobicContact CG-CZ3 3.83Å
763	L	93.5	Very high	90.9	Very high	12 Å²	12	74.1 Å²	74.1	6%	0.063	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-71	124.7	-178.8	-69.2	177.2	0	0	0	110.8	Y755 F765 G784 H786 V789 L792 I793	Y755-L763 WeakPolarHBondContact CD1-O 3.4Å; L763-F765 WeakPolarHBondContact O-CD1 3.13Å; L763-F765 WeakPolarHBondContact O-CE1 3.33Å; L763-G784 WeakPolarHBondContact CD1-O 3.29Å; L763-H786 HydrophobicContact CD1-CB 4.03Å; L763-V789 HydrophobicContact CD2-CB 4.03Å; L763-V789 HydrophobicContact CD2-CG1 3.83Å; L763-V789 WeakPolarHBondContact CD2-O 3.29Å; L763-L792 PolarHBondContact N-O 3.46Å; L763-I793 HydrophobicContact CB-CG1 4.25Å; L763-I793 HydrophobicContact CD1-CD1 3.95Å; L763-I793 HydrophobicContact CD1-CG1 3.8Å
764	S	94.3	Very high	90.9	Very high	64 Å²	64	72 Å²	72	45%	0.448	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-87.3	131.7	173.7	-62	0	0	0	0	110.8	Y755 G757 E762 H786	Y755-S764 WeakPolarHBondContact O-CA 3.48Å; G757-S764 PolarHBondContact N-OG 3.42Å; E762-S764 PolarHBondContact O-N 3.21Å; S764-H786 PolarHBondContact O-CE1 2.95Å; S764-H786 PolarHBondContact O-ND1 3Å
765	F	95.1	Very high	90.6	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.035	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-149.2	162.3	-176.8	51.9	-100.1	0	0	0	112.1	A751 Y755 L763 A769 L771 H786 I793 P794 I798	A751-F765 HydrophobicContact CB-CD2 3.47Å; A751-F765 VanDerWaalsContact CB-CD2 3.47Å; A751-F765 HydrophobicContact CB-CE2 3.79Å; A751-F765 HydrophobicContact CB-CG 4.47Å; Y755-F765 VanDerWaalsContact CB-CE2 3.48Å; Y755-F765 HydrophobicContact CD1-CD1 4.4Å; Y755-F765 AromaticContact CD1-CE1 3.83Å; Y755-F765 HydrophobicContact CD1-CE1 3.83Å; Y755-F765 HydrophobicContact CD1-CZ 4.01Å; Y755-F765 HydrophobicContact CG-CE1 4.29Å; Y755-F765 HydrophobicContact CG-CE2 4.39Å; Y755-F765 HydrophobicContact CG-CZ 4.01Å; Y755-F765 PolarHBondContact N-O 3.02Å; Y755-F765 PolarHBondContact O-N 2.86Å; L763-F765 WeakPolarHBondContact O-CD1 3.13Å; L763-F765 WeakPolarHBondContact O-CE1 3.33Å; F765-A769 HydrophobicContact CB-CB 4.3Å; F765-L771 HydrophobicContact CB-CD2 4.06Å; F765-L771 HydrophobicContact CD1-CD1 4.13Å; F765-L771 HydrophobicContact CD1-CD2 4.01Å; F765-L771 HydrophobicContact CD2-CD1 4.08Å; F765-L771 HydrophobicContact CE1-CD1 4.14Å; F765-L771 HydrophobicContact CE2-CD1 4.05Å; F765-L771 HydrophobicContact CG-CD1 4.1Å; F765-L771 HydrophobicContact CG-CD2 4.05Å; F765-L771 HydrophobicContact CZ-CD1 4.08Å; F765-H786 VanDerWaalsContact CB-CE1 3.44Å; F765-H786 WeakPolarHBondContact CB-CE1 3.49Å; F765-I793 HydrophobicContact CE1-CG2 3.86Å; F765-I793 HydrophobicContact CZ-CG2 4.08Å; F765-P794 HydrophobicContact CZ-CG 4.33Å; F765-I798 HydrophobicContact CE2-CG2 4.28Å; F765-I798 HydrophobicContact CZ-CG2 4.06Å
766	K	93.8	Very high	90.2	Very high	154 Å²	154	76 Å²	76	67%	0.67	39%	0.388	S	S	*	.			trans	-107.5	155.1	176.9	-70.7	-167.1	176.6	-173.8	0	111.3	A751 D754 G768 A769	A751-K766 WeakPolarHBondContact CB-O 3.41Å; D754-K766 VanDerWaalsContact OD1-CA 3.23Å; D754-K766 WeakPolarHBondContact OD1-CA 3.34Å; D754-K766 WeakPolarHBondContact OD1-CB 3.34Å; K766-G768 PolarHBondContact O-N 3.43Å; K766-A769 WeakPolarHBondContact O-CB 3.42Å; K766-A769 PolarHBondContact O-N 2.8Å
767	K	92.9	Very high	89.6	Confident	139 Å²	139	70.9 Å²	70.9	60%	0.604	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	128.8	172.3	-179.2	170.6	-176.8	164.9	0	110.5	A751 K752 D754	A751-K767 CarbonylContact O-C 3.54Å; A751-K767 WeakPolarHBondContact O-CA 3.5Å; K752-K767 WeakPolarHBondContact O-CD 3.34Å; K752-K767 WeakPolarHBondContact O-CE 3.27Å; K752-K767 WeakPolarHBondContact O-CG 3.46Å; K752-K767 PolarHBondContact O-NZ 3.31Å; D754-K767 PolarHBondContact OD1-N 3.33Å
768	G	86.3	Confident	89.4	Confident	58 Å²	58	72.5 Å²	72.5	60%	0.598	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-0.3	-176.1	0	0	0	0	0	115.3	A751 K766	A751-G768 PolarHBondContact O-N 2.62Å; K766-G768 PolarHBondContact O-N 3.43Å
769	A	93.1	Very high	88.8	Confident	20 Å²	20	70 Å²	70	17%	0.165	38%	0.376	C	S	.	.			trans	-66.3	137.2	167	0	0	0	0	0	110.6	I750 A751 F765 K766	I750-A769 WeakPolarHBondContact CA-O 3.49Å; A751-A769 HydrophobicContact CB-CB 4.24Å; A751-A769 PolarHBondContact N-O 2.85Å; F765-A769 HydrophobicContact CB-CB 4.3Å; K766-A769 WeakPolarHBondContact O-CB 3.42Å; K766-A769 PolarHBondContact O-N 2.8Å
770	S	92.7	Very high	89	Confident	66 Å²	66	72.3 Å²	72.3	46%	0.462	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.6	162.8	174	0	0	0	0	109.4
771	L	94.2	Very high	89.8	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132	-172.8	-62.4	171.4	0	0	0	107.5	A749 A751 F765 H786 I793 I798	A749-L771 PolarHBondContact N-O 2.97Å; A749-L771 PolarHBondContact O-N 3.34Å; A751-L771 HydrophobicContact CB-CD1 4.11Å; F765-L771 HydrophobicContact CB-CD2 4.06Å; F765-L771 HydrophobicContact CD1-CD1 4.13Å; F765-L771 HydrophobicContact CD1-CD2 4.01Å; F765-L771 HydrophobicContact CD2-CD1 4.08Å; F765-L771 HydrophobicContact CE1-CD1 4.14Å; F765-L771 HydrophobicContact CE2-CD1 4.05Å; F765-L771 HydrophobicContact CG-CD1 4.1Å; F765-L771 HydrophobicContact CG-CD2 4.05Å; F765-L771 HydrophobicContact CZ-CD1 4.08Å; L771-H786 HydrophobicContact CD2-CB 3.63Å; L771-H786 VanDerWaalsContact CD2-CD2 3.49Å; L771-H786 WeakPolarHBondContact CD2-CD2 3.41Å; L771-I793 HydrophobicContact CB-CD1 4.21Å; L771-I793 HydrophobicContact CD1-CG2 4.01Å; L771-I793 HydrophobicContact CD2-CD1 4.34Å; L771-I798 HydrophobicContact CD1-CG2 3.43Å; L771-I798 VanDerWaalsContact CD1-CG2 3.43Å
772	L	93.1	Very high	90.1	Very high	37 Å²	37	63 Å²	63	19%	0.194	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.1	175.8	-160.6	70.9	0	0	0	108.3	Q746 E748 Y774 G784 R785	Q746-L772 HydrophobicContact CB-CD1 3.85Å; Q746-L772 HydrophobicContact CB-CD2 4.48Å; Q746-L772 HydrophobicContact CB-CG 4.19Å; E748-L772 HydrophobicContact CG-CD1 4.28Å; L772-Y774 HydrophobicContact CD2-CE1 3.79Å; L772-Y774 HydrophobicContact CG-CE1 4.32Å; L772-G784 CarbonylContact O-C 3.54Å; L772-G784 WeakPolarHBondContact O-CA 3.37Å; L772-R785 HydrophobicContact CB-CB 4.22Å; L772-R785 PolarHBondContact N-O 3.49Å; L772-R785 PolarHBondContact O-N 2.83Å
773	L	93.4	Very high	90.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.5	176.3	-42.5	178.1	0	0	0	109.5	I747 A749 W782 I793 I798 V800	I747-L773 HydrophobicContact CB-CB 4.21Å; I747-L773 HydrophobicContact CG2-CD1 4.24Å; I747-L773 PolarHBondContact N-O 2.87Å; I747-L773 PolarHBondContact O-N 3.24Å; A749-L773 HydrophobicContact CB-CD1 3.81Å; A749-L773 HydrophobicContact CB-CD2 4.31Å; A749-L773 HydrophobicContact CB-CG 4.01Å; L773-W782 HydrophobicContact CB-CD2 4.35Å; L773-W782 HydrophobicContact CB-CE3 3.82Å; L773-W782 HydrophobicContact CB-CZ3 4.37Å; L773-W782 HydrophobicContact CD1-CD2 3.72Å; L773-W782 HydrophobicContact CD1-CE3 3.86Å; L773-W782 HydrophobicContact CD1-CG 4.01Å; L773-W782 HydrophobicContact CD1-CZ2 4.5Å; L773-W782 HydrophobicContact CD1-CZ3 4.3Å; L773-W782 HydrophobicContact CD2-CB 4.04Å; L773-W782 HydrophobicContact CD2-CG 4.38Å; L773-W782 HydrophobicContact CG-CE3 4.43Å; L773-I793 HydrophobicContact CD2-CB 4.37Å; L773-I793 HydrophobicContact CD2-CD1 3.79Å; L773-I793 HydrophobicContact CD2-CG2 4.21Å; L773-I798 HydrophobicContact CD1-CD1 3.76Å; L773-I798 HydrophobicContact CD2-CD1 4.01Å; L773-V800 HydrophobicContact CD1-CG2 3.86Å
774	Y	88.1	Confident	90.1	Very high	52 Å²	52	65 Å²	65	20%	0.204	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-54.1	178.7	-59.9	-51.2	0	0	0	111.6	Q746 L772 E783 R785	Q746-Y774 HydrophobicContact CG-CE1 4.44Å; L772-Y774 HydrophobicContact CD2-CE1 3.79Å; L772-Y774 HydrophobicContact CG-CE1 4.32Å; Y774-E783 PolarHBondContact N-O 2.92Å; Y774-R785 HydrophobicContact CE2-CB 4.1Å; Y774-R785 WeakPolarHBondContact OH-CB 3.19Å; Y774-R785 WeakPolarHBondContact OH-CD 3.26Å; Y774-R785 PolarHBondContact OH-NE 3.29Å; Y774-R785 VanDerWaalsContact OH-NE 3.09Å; Y774-R785 PolarHBondContact OH-NH1 3.43Å
775	H	85.1	Confident	90.1	Very high	98 Å²	98	66.7 Å²	66.7	45%	0.454	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.2	176.9	72.4	-83.1	0	0	0	111	A777 E783	H775-A777 PolarHBondContact O-N 3.39Å; H775-E783 IonicContact CE1-OE2 2.68Å; H775-E783 PolarHBondContact CE1-OE2 3.26Å; H775-E783 IonicContact NE2-OE2 2.68Å; H775-E783 PolarHBondContact O-N 2.65Å
776	R	87.8	Confident	90	Very high	117 Å²	117	67.5 Å²	67.5	44%	0.442	34%	0.341	S	S	.	.			trans	-91.4	98.6	-175.1	-171.9	167.4	-173.9	160.4	-0.3	110.6	S778 E779 W782 H795	R776-S778 VanDerWaalsContact C-N 3.29Å; R776-S778 WeakPolarHBondContact CG-O 3.41Å; R776-S778 PolarHBondContact NE-O 2.83Å; R776-S778 PolarHBondContact O-N 2.97Å; R776-E779 PolarHBondContact NH2-O 3.1Å; R776-W782 HydrophobicContact CB-CD2 4.04Å; R776-W782 HydrophobicContact CB-CE3 3.88Å; R776-W782 HydrophobicContact CB-CH2 4.14Å; R776-W782 HydrophobicContact CB-CZ2 4.26Å; R776-W782 HydrophobicContact CB-CZ3 3.94Å; R776-W782 HydrophobicContact CG-CD2 4.21Å; R776-W782 HydrophobicContact CG-CZ2 4.29Å; R776-H795 PolarHBondContact NH2-CD2 2.83Å; R776-H795 PolarHBondContact NH2-NE2 3.07Å
777	A	80.8	Confident	89.7	Confident	49 Å²	49	67 Å²	67	41%	0.405	35%	0.345	S	S	.	.	S	Bend	trans	-65.1	-28.4	-178.9	0	0	0	0	0	113.6	H775 W781 E783 L792	H775-A777 PolarHBondContact O-N 3.39Å; A777-W781 PolarHBondContact N-O 3.48Å; A777-E783 HydrophobicContact CB-CG 4.23Å; A777-L792 HydrophobicContact CB-CD2 4.06Å
778	S	85.3	Confident	89.2	Confident	55 Å²	55	63.3 Å²	63.3	39%	0.385	35%	0.346	S	S	.	.	S	Bend	trans	-161.3	-179.2	171.4	61.8	0	0	0	0	111.6	R776 D780 W781	R776-S778 VanDerWaalsContact C-N 3.29Å; R776-S778 WeakPolarHBondContact CG-O 3.41Å; R776-S778 PolarHBondContact NE-O 2.83Å; R776-S778 PolarHBondContact O-N 2.97Å; S778-D780 PolarHBondContact O-N 3.06Å; S778-W781 PolarHBondContact N-O 3.49Å; S778-W781 PolarHBondContact O-N 3.48Å; S778-W781 VanDerWaalsContact O-O 3.06Å; S778-W781 WeakPolarHBondContact OG-CB 3.45Å; S778-W781 PolarHBondContact OG-N 2.92Å
779	E	72.4	Confident	89.2	Confident	168 Å²	168	64.8 Å²	64.8	79%	0.785	34%	0.344	S	S	*	.	S	Bend	trans	-57.3	-36.7	176.2	-63.4	-163.6	148.7	0	0	112.7	R776	R776-E779 PolarHBondContact NH2-O 3.1Å
780	D	89.4	Confident	89.2	Confident	98 Å²	98	67.8 Å²	67.8	52%	0.524	36%	0.357	S	S	.	.	S	Bend	trans	-95.5	-12	-178.4	-78.1	-45	0	0	0	114.9	S778 P794 H795	S778-D780 PolarHBondContact O-N 3.06Å; D780-P794 CarbonylContact O-C 3.59Å; D780-P794 WeakPolarHBondContact O-CA 3.48Å; D780-H795 WeakPolarHBondContact O-CB 3.45Å; D780-H795 PolarHBondContact O-N 2.86Å
781	W	93.4	Very high	89.2	Confident	68 Å²	68	65.4 Å²	65.4	26%	0.258	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.4	-170	-59.2	88.8	0	0	0	114.4	Y755 E762 A777 S778 L792 P794	Y755-W781 WeakPolarHBondContact OH-CH2 3.24Å; E762-W781 HydrophobicContact CG-CH2 3.76Å; E762-W781 HydrophobicContact CG-CZ3 3.83Å; A777-W781 PolarHBondContact N-O 3.48Å; S778-W781 PolarHBondContact N-O 3.49Å; S778-W781 PolarHBondContact O-N 3.48Å; S778-W781 VanDerWaalsContact O-O 3.06Å; S778-W781 WeakPolarHBondContact OG-CB 3.45Å; S778-W781 PolarHBondContact OG-N 2.92Å; W781-L792 HydrophobicContact CB-CD2 4.49Å; W781-L792 HydrophobicContact CE3-CB 3.8Å; W781-L792 HydrophobicContact CZ3-CB 4.15Å; W781-P794 HydrophobicContact CD2-CB 4.31Å; W781-P794 HydrophobicContact CE3-CB 3.82Å; W781-P794 HydrophobicContact CE3-CG 4.36Å; W781-P794 HydrophobicContact CH2-CB 4.19Å; W781-P794 HydrophobicContact CH2-CG 4.46Å; W781-P794 HydrophobicContact CZ3-CB 3.77Å; W781-P794 HydrophobicContact CZ3-CG 3.93Å
782	W	94.5	Very high	89.2	Confident	25 Å²	25	67.1 Å²	67.1	10%	0.095	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.3	170.7	-67.7	79.7	0	0	0	110.3	I747 L773 R776 L792 I793 H795 V800	I747-W782 HydrophobicContact CD1-CH2 4.3Å; I747-W782 HydrophobicContact CD1-CZ3 4.06Å; L773-W782 HydrophobicContact CB-CD2 4.35Å; L773-W782 HydrophobicContact CB-CE3 3.82Å; L773-W782 HydrophobicContact CB-CZ3 4.37Å; L773-W782 HydrophobicContact CD1-CD2 3.72Å; L773-W782 HydrophobicContact CD1-CE3 3.86Å; L773-W782 HydrophobicContact CD1-CG 4.01Å; L773-W782 HydrophobicContact CD1-CZ2 4.5Å; L773-W782 HydrophobicContact CD1-CZ3 4.3Å; L773-W782 HydrophobicContact CD2-CB 4.04Å; L773-W782 HydrophobicContact CD2-CG 4.38Å; L773-W782 HydrophobicContact CG-CE3 4.43Å; R776-W782 HydrophobicContact CB-CD2 4.04Å; R776-W782 HydrophobicContact CB-CE3 3.88Å; R776-W782 HydrophobicContact CB-CH2 4.14Å; R776-W782 HydrophobicContact CB-CZ2 4.26Å; R776-W782 HydrophobicContact CB-CZ3 3.94Å; R776-W782 HydrophobicContact CG-CD2 4.21Å; R776-W782 HydrophobicContact CG-CZ2 4.29Å; W782-L792 CarbonylContact O-C 3.51Å; W782-L792 WeakPolarHBondContact O-CA 3.43Å; W782-I793 PolarHBondContact N-O 3.41Å; W782-I793 PolarHBondContact O-N 3.11Å; W782-H795 AromaticContact CD1-ND1 3.98Å; W782-H795 AromaticContact NE1-CE1 3.94Å; W782-H795 AromaticContact NE1-CG 3.53Å; W782-H795 AromaticContact NE1-ND1 3.2Å; W782-H795 PolarHBondContact NE1-ND1 3.3Å; W782-V800 HydrophobicContact CZ2-CG2 4.42Å
783	E	93.6	Very high	89.4	Confident	86 Å²	86	65.3 Å²	65.3	40%	0.402	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	138.9	157.3	-83.1	-172.2	-173.3	0	0	109.5	Y774 H775 A777 L792	Y774-E783 PolarHBondContact N-O 2.92Å; H775-E783 IonicContact CE1-OE2 2.68Å; H775-E783 PolarHBondContact CE1-OE2 3.26Å; H775-E783 IonicContact NE2-OE2 2.68Å; H775-E783 PolarHBondContact O-N 2.65Å; A777-E783 HydrophobicContact CB-CG 4.23Å; E783-L792 HydrophobicContact CG-CD2 3.75Å
784	G	93.6	Very high	89.4	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-173.2	-173	0	0	0	0	0	113	L763 L772 D790 G791	L763-G784 WeakPolarHBondContact CD1-O 3.29Å; L772-G784 CarbonylContact O-C 3.54Å; L772-G784 WeakPolarHBondContact O-CA 3.37Å; G784-D790 CarbonylContact O-C 3.57Å; G784-D790 WeakPolarHBondContact O-CA 3.46Å; G784-G791 PolarHBondContact N-O 2.89Å; G784-G791 PolarHBondContact O-N 3.23Å; G784-G791 VanDerWaalsContact O-O 3.1Å
785	R	93.5	Very high	89.7	Confident	101 Å²	101	66.2 Å²	66.2	38%	0.381	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.1	-173.5	-174.1	172.5	-78.5	167.5	3.5	111.9	L772 Y774 V789 D790	L772-R785 HydrophobicContact CB-CB 4.22Å; L772-R785 PolarHBondContact N-O 3.49Å; L772-R785 PolarHBondContact O-N 2.83Å; Y774-R785 HydrophobicContact CE2-CB 4.1Å; Y774-R785 WeakPolarHBondContact OH-CB 3.19Å; Y774-R785 WeakPolarHBondContact OH-CD 3.26Å; Y774-R785 PolarHBondContact OH-NE 3.29Å; Y774-R785 VanDerWaalsContact OH-NE 3.09Å; Y774-R785 PolarHBondContact OH-NH1 3.43Å; R785-V789 WeakPolarHBondContact CA-O 3.49Å; R785-D790 VanDerWaalsContact CB-OD1 3.32Å; R785-D790 WeakPolarHBondContact CB-OD1 3.49Å; R785-D790 WeakPolarHBondContact CG-OD1 3.29Å; R785-D790 IonicContact CZ-OD1 2.71Å; R785-D790 VanDerWaalsContact CZ-OD1 3.31Å; R785-D790 IonicContact CZ-OD2 2.79Å; R785-D790 IonicContact NE-OD1 3.8Å; R785-D790 PolarHBondContact NE-OD1 3.26Å; R785-D790 IonicContact NE-OD2 3.15Å; R785-D790 VanDerWaalsContact NH2-CG 3.35Å; R785-D790 IonicContact NH2-OD1 2.64Å; R785-D790 PolarHBondContact NH2-OD1 3.49Å; R785-D790 VanDerWaalsContact NH2-OD1 3.16Å; R785-D790 IonicContact NH2-OD2 3.68Å; R785-D790 PolarHBondContact NH2-OD2 2.83Å
786	H	93.2	Very high	90.1	Very high	25 Å²	25	68.4 Å²	68.4	12%	0.116	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126	171.6	178.5	-129.3	0	0	0	109.7	L763 S764 F765 L771 G788 V789	L763-H786 HydrophobicContact CD1-CB 4.03Å; S764-H786 PolarHBondContact O-CE1 2.95Å; S764-H786 PolarHBondContact O-ND1 3Å; F765-H786 VanDerWaalsContact CB-CE1 3.44Å; F765-H786 WeakPolarHBondContact CB-CE1 3.49Å; L771-H786 HydrophobicContact CD2-CB 3.63Å; L771-H786 VanDerWaalsContact CD2-CD2 3.49Å; L771-H786 WeakPolarHBondContact CD2-CD2 3.41Å; H786-G788 PolarHBondContact O-N 3.44Å; H786-G788 VanDerWaalsContact O-N 3.15Å; H786-V789 PolarHBondContact N-O 3.23Å; H786-V789 PolarHBondContact O-N 2.88Å
787	N	86.9	Confident	90.3	Very high	143 Å²	143	66.5 Å²	66.5	77%	0.765	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	35.5	-177.3	-58.9	-46.8	0	0	0	114.8	V789	N787-V789 VanDerWaalsContact C-N 3.34Å
788	G	82.9	Confident	90.9	Very high	61 Å²	61	64.6 Å²	64.6	63%	0.629	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	6.6	-179.9	0	0	0	0	0	115.6	H786	H786-G788 PolarHBondContact O-N 3.44Å; H786-G788 VanDerWaalsContact O-N 3.15Å
789	V	87.4	Confident	91.2	Very high	90 Å²	90	65.6 Å²	65.6	55%	0.545	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.5	173	-173	0	0	0	0	109.2	L763 R785 H786 N787	L763-V789 HydrophobicContact CD2-CB 4.03Å; L763-V789 HydrophobicContact CD2-CG1 3.83Å; L763-V789 WeakPolarHBondContact CD2-O 3.29Å; R785-V789 WeakPolarHBondContact CA-O 3.49Å; H786-V789 PolarHBondContact N-O 3.23Å; H786-V789 PolarHBondContact O-N 2.88Å; N787-V789 VanDerWaalsContact C-N 3.34Å
790	D	93.2	Very high	92	Very high	83 Å²	83	59.2 Å²	59.2	44%	0.444	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.9	176.9	-63.2	-44.3	0	0	0	112.1	G784 R785	G784-D790 CarbonylContact O-C 3.57Å; G784-D790 WeakPolarHBondContact O-CA 3.46Å; R785-D790 VanDerWaalsContact CB-OD1 3.32Å; R785-D790 WeakPolarHBondContact CB-OD1 3.49Å; R785-D790 WeakPolarHBondContact CG-OD1 3.29Å; R785-D790 IonicContact CZ-OD1 2.71Å; R785-D790 VanDerWaalsContact CZ-OD1 3.31Å; R785-D790 IonicContact CZ-OD2 2.79Å; R785-D790 IonicContact NE-OD1 3.8Å; R785-D790 PolarHBondContact NE-OD1 3.26Å; R785-D790 IonicContact NE-OD2 3.15Å; R785-D790 VanDerWaalsContact NH2-CG 3.35Å; R785-D790 IonicContact NH2-OD1 2.64Å; R785-D790 PolarHBondContact NH2-OD1 3.49Å; R785-D790 VanDerWaalsContact NH2-OD1 3.16Å; R785-D790 IonicContact NH2-OD2 3.68Å; R785-D790 PolarHBondContact NH2-OD2 2.83Å
791	G	92.3	Very high	91.4	Very high	15 Å²	15	59.5 Å²	59.5	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-166	176.2	0	0	0	0	0	114.2	R761 G784	R761-G791 CarbonylContact O-C 3.59Å; R761-G791 WeakPolarHBondContact O-CA 3.31Å; G784-G791 PolarHBondContact N-O 2.89Å; G784-G791 PolarHBondContact O-N 3.23Å; G784-G791 VanDerWaalsContact O-O 3.1Å
792	L	94.6	Very high	89.6	Confident	37 Å²	37	62.1 Å²	62.1	19%	0.194	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.7	-174	-65.4	173	0	0	0	112.2	R761 L763 A777 W781 W782 E783	R761-L792 HydrophobicContact CB-CD1 4.32Å; R761-L792 PolarHBondContact O-N 3.31Å; L763-L792 PolarHBondContact N-O 3.46Å; A777-L792 HydrophobicContact CB-CD2 4.06Å; W781-L792 HydrophobicContact CB-CD2 4.49Å; W781-L792 HydrophobicContact CE3-CB 3.8Å; W781-L792 HydrophobicContact CZ3-CB 4.15Å; W782-L792 CarbonylContact O-C 3.51Å; W782-L792 WeakPolarHBondContact O-CA 3.43Å; E783-L792 HydrophobicContact CG-CD2 3.75Å
793	I	95.7	Very high	87.5	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.1	-178.6	-61	176.4	0	0	0	108.3	L763 F765 L771 L773 W782 H795 I798	L763-I793 HydrophobicContact CB-CG1 4.25Å; L763-I793 HydrophobicContact CD1-CD1 3.95Å; L763-I793 HydrophobicContact CD1-CG1 3.8Å; F765-I793 HydrophobicContact CE1-CG2 3.86Å; F765-I793 HydrophobicContact CZ-CG2 4.08Å; L771-I793 HydrophobicContact CB-CD1 4.21Å; L771-I793 HydrophobicContact CD1-CG2 4.01Å; L771-I793 HydrophobicContact CD2-CD1 4.34Å; L773-I793 HydrophobicContact CD2-CB 4.37Å; L773-I793 HydrophobicContact CD2-CD1 3.79Å; L773-I793 HydrophobicContact CD2-CG2 4.21Å; W782-I793 PolarHBondContact N-O 3.41Å; W782-I793 PolarHBondContact O-N 3.11Å; I793-H795 PolarHBondContact O-N 3.31Å; I793-I798 HydrophobicContact CG2-CD1 4.07Å; I793-I798 HydrophobicContact CG2-CG2 3.66Å
794	P	95	Very high	85	Confident	10 Å²	10	72.2 Å²	72.2	7%	0.065	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.8	-177.3	25.3	-28.9	0	0	0	111.5	Y755 F765 D780 W781 Q796 Y797	Y755-P794 HydrophobicContact CD1-CG 3.81Å; Y755-P794 HydrophobicContact CD2-CG 3.86Å; Y755-P794 HydrophobicContact CE1-CG 3.69Å; Y755-P794 HydrophobicContact CE2-CG 3.75Å; Y755-P794 HydrophobicContact CG-CG 3.9Å; F765-P794 HydrophobicContact CZ-CG 4.33Å; D780-P794 CarbonylContact O-C 3.59Å; D780-P794 WeakPolarHBondContact O-CA 3.48Å; W781-P794 HydrophobicContact CD2-CB 4.31Å; W781-P794 HydrophobicContact CE3-CB 3.82Å; W781-P794 HydrophobicContact CE3-CG 4.36Å; W781-P794 HydrophobicContact CH2-CB 4.19Å; W781-P794 HydrophobicContact CH2-CG 4.46Å; W781-P794 HydrophobicContact CZ3-CB 3.77Å; W781-P794 HydrophobicContact CZ3-CG 3.93Å; P794-Q796 VanDerWaalsContact C-N 3.26Å; P794-Q796 PolarHBondContact O-N 2.86Å; P794-Y797 HydrophobicContact CB-CD2 4.14Å; P794-Y797 HydrophobicContact CG-CD2 4.02Å; P794-Y797 HydrophobicContact CG-CG 4.2Å; P794-Y797 PolarHBondContact O-N 2.58Å
795	H	93.9	Very high	82.2	Confident	60 Å²	60	78 Å²	78	28%	0.278	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-55.3	-37.4	-173.9	-178.3	40.8	0	0	0	113.2	R776 D780 W782 I793 Y797 I798	R776-H795 PolarHBondContact NH2-CD2 2.83Å; R776-H795 PolarHBondContact NH2-NE2 3.07Å; D780-H795 WeakPolarHBondContact O-CB 3.45Å; D780-H795 PolarHBondContact O-N 2.86Å; W782-H795 AromaticContact CD1-ND1 3.98Å; W782-H795 AromaticContact NE1-CE1 3.94Å; W782-H795 AromaticContact NE1-CG 3.53Å; W782-H795 AromaticContact NE1-ND1 3.2Å; W782-H795 PolarHBondContact NE1-ND1 3.3Å; I793-H795 PolarHBondContact O-N 3.31Å; H795-Y797 PolarHBondContact O-N 3.46Å; H795-I798 VanDerWaalsContact O-CG1 3.24Å; H795-I798 WeakPolarHBondContact O-CG1 3.46Å; H795-I798 PolarHBondContact O-N 3.37Å
796	Q	92.1	Very high	79.6	Confident	144 Å²	144	77.5 Å²	77.5	67%	0.673	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.1	-179.1	-163.5	172.8	88.9	0	0	113.8	P794	P794-Q796 VanDerWaalsContact C-N 3.26Å; P794-Q796 PolarHBondContact O-N 2.86Å
797	Y	92.9	Very high	76.8	Confident	77 Å²	77	85.5 Å²	85.5	30%	0.302	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-97	-0.5	179.8	-76.6	-108.4	0	0	0	113.6	K752 F753 Y755 P794 H795	K752-Y797 WeakPolarHBondContact CB-O 3.48Å; K752-Y797 PolarHBondContact N-O 3.01Å; F753-Y797 HydrophobicContact CB-CD1 3.83Å; F753-Y797 HydrophobicContact CB-CE1 4.25Å; F753-Y797 HydrophobicContact CD2-CD1 4.43Å; Y755-Y797 AromaticContact CD2-CD1 3.67Å; Y755-Y797 HydrophobicContact CD2-CD1 3.67Å; Y755-Y797 HydrophobicContact CD2-CD2 4.22Å; Y755-Y797 AromaticContact CD2-CE1 3.72Å; Y755-Y797 HydrophobicContact CD2-CE1 3.72Å; Y755-Y797 HydrophobicContact CD2-CE2 4.27Å; Y755-Y797 AromaticContact CD2-CG 3.95Å; Y755-Y797 HydrophobicContact CD2-CG 3.95Å; Y755-Y797 HydrophobicContact CG-CD1 4.13Å; Y755-Y797 HydrophobicContact CG-CG 4.39Å; P794-Y797 HydrophobicContact CB-CD2 4.14Å; P794-Y797 HydrophobicContact CG-CD2 4.02Å; P794-Y797 HydrophobicContact CG-CG 4.2Å; P794-Y797 PolarHBondContact O-N 2.58Å; H795-Y797 PolarHBondContact O-N 3.46Å
798	I	94.1	Very high	74.1	Confident	10 Å²	10	83.1 Å²	83.1	5%	0.051	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	168.1	-176.4	63.6	172.1	0	0	0	111.8	A749 I750 F765 L771 L773 I793 H795	A749-I798 HydrophobicContact CB-CB 4.38Å; A749-I798 HydrophobicContact CB-CD1 4.05Å; I750-I798 CarbonylContact O-C 3.51Å; I750-I798 WeakPolarHBondContact O-CA 3.42Å; F765-I798 HydrophobicContact CE2-CG2 4.28Å; F765-I798 HydrophobicContact CZ-CG2 4.06Å; L771-I798 HydrophobicContact CD1-CG2 3.43Å; L771-I798 VanDerWaalsContact CD1-CG2 3.43Å; L773-I798 HydrophobicContact CD1-CD1 3.76Å; L773-I798 HydrophobicContact CD2-CD1 4.01Å; I793-I798 HydrophobicContact CG2-CD1 4.07Å; I793-I798 HydrophobicContact CG2-CG2 3.66Å; H795-I798 VanDerWaalsContact O-CG1 3.24Å; H795-I798 WeakPolarHBondContact O-CG1 3.46Å; H795-I798 PolarHBondContact O-N 3.37Å
799	V	91.6	Very high	71.6	Confident	76 Å²	76	87 Å²	87	46%	0.461	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118	163.3	179.9	0	0	0	0	106.4	A749 I750 K752	A749-V799 CarbonylContact C-O 3.5Å; A749-V799 VanDerWaalsContact CA-O 3.22Å; A749-V799 WeakPolarHBondContact CA-O 3.37Å; A749-V799 WeakPolarHBondContact CB-O 3.34Å; I750-V799 PolarHBondContact N-O 3.36Å; I750-V799 PolarHBondContact O-N 3.3Å; K752-V799 HydrophobicContact CB-CG2 4.23Å; K752-V799 HydrophobicContact CD-CG2 3.99Å; K752-V799 HydrophobicContact CG-CG2 4.26Å
800	V	88.7	Confident	68.9	Low	33 Å²	33	87.6 Å²	87.6	20%	0.2	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140	170.4	172	0	0	0	0	108.6	I747 A749 L773 W782	I747-V800 HydrophobicContact CG2-CG1 3.55Å; A749-V800 HydrophobicContact CB-CG2 4.5Å; L773-V800 HydrophobicContact CD1-CG2 3.86Å; W782-V800 HydrophobicContact CZ2-CG2 4.42Å
801	Q	76.4	Confident	66.1	Low	104 Å²	104	91.7 Å²	91.7	49%	0.486	50%	0.497	S	S	.	.			trans	-92.4	107.3	166.3	-67.6	-167.3	-6.1	0	0	109	E748 I750	E748-Q801 PolarHBondContact O-N 3.13Å; I750-Q801 VanDerWaalsContact CD1-NE2 3.34Å
802	D	55.7	Low	63.3	Low	123 Å²	123	95.1 Å²	95.1	66%	0.658	52%	0.519	S	S	*	.			trans	-71.5	132.5	173.9	-61.6	-42.9	0	0	0	109.6	D804	D802-D804 PolarHBondContact O-N 2.92Å; D802-D804 VanDerWaalsContact O-N 3.12Å
803	M	50.8	Low	60.2	Low	175 Å²	175	102.3 Å²	102.3	86%	0.862	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-3	-173.6	-77.9	-94.9	66.8	0	0	115
804	D	39.8	Very low	57.1	Low	149 Å²	149	112.6 Å²	112.6	80%	0.797	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-13.7	-173.7	-76.7	-51.2	0	0	0	115.2	D802 A806	D802-D804 PolarHBondContact O-N 2.92Å; D802-D804 VanDerWaalsContact O-N 3.12Å; D804-A806 PolarHBondContact O-N 3.26Å
805	D	36.5	Very low	54	Low	122 Å²	122	116.3 Å²	116.3	65%	0.652	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-79.5	7.3	-169.9	-128.7	-1	0	0	0	114.4	F807	D805-F807 PolarHBondContact O-N 2.91Å; D805-F807 VanDerWaalsContact O-N 3.15Å
806	A	37.6	Very low	50.9	Low	91 Å²	91	120.8 Å²	120.8	75%	0.752	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-71.2	-2.3	-177.2	0	0	0	0	0	115.3	D804	D804-A806 PolarHBondContact O-N 3.26Å
807	F	35.2	Very low	47.9	Very low	193 Å²	193	120 Å²	120	85%	0.846	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-131.6	5	-173.1	-104.6	-81	0	0	0	116.9	D805	D805-F807 PolarHBondContact O-N 2.91Å; D805-F807 VanDerWaalsContact O-N 3.15Å
808	S	30.6	Very low	44.9	Very low	93 Å²	93	125.9 Å²	125.9	65%	0.65	69%	0.694	S	S	*	*	S	Bend	trans	-102.5	-21.1	-171.8	-66.5	0	0	0	0	116.4
809	D	29.9	Very low	41.9	Very low	141 Å²	141	130 Å²	130	75%	0.754	73%	0.73	S	S	*	*			trans	-107.5	51.1	-167.9	-156.3	18.5	0	0	0	115.2	S812	D809-S812 PolarHBondContact OD1-OG 3.22Å
810	S	31	Very low	38.9	Very low	104 Å²	104	131.4 Å²	131.4	73%	0.727	74%	0.744	S	S	*	*	S	Bend	trans	-118.8	10.3	178.2	68.8	0	0	0	0	115.6
811	L	33.3	Very low	36.1	Very low	168 Å²	168	134.9 Å²	134.9	88%	0.88	77%	0.769	S	S	*	*	S	Bend	trans	-139.1	34	-173.7	-77	179.7	0	0	0	115.9
812	S	32.9	Very low	33.7	Very low	88 Å²	88	133.3 Å²	133.3	62%	0.615	78%	0.781	S	S	*	*	S	Bend	trans	-131.3	1.8	-176.8	75.6	0	0	0	0	118.7	D809	D809-S812 PolarHBondContact OD1-OG 3.22Å
813	Q	30.3	Very low	33.2	Very low	188 Å²	188	132.8 Å²	132.8	88%	0.879	78%	0.784	S	S	*	*			trans	-126.6	99.1	175.9	-77.1	-175.7	24	0	0	115.2
814	K	30.1	Very low	32	Very low	216 Å²	216	131.6 Å²	131.6	94%	0.939	78%	0.781	S	S	*	*			trans	-142.2	87.2	157	-91.9	-162.5	174	-175.5	0	111.1
815	A	30.3	Very low	31.6	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	78%	0.779	S	S	*	*			trans	-154.6	130.8	156.7	0	0	0	0	0	109.9
816	D	29.2	Very low	31.2	Very low	155 Å²	155	132 Å²	132	83%	0.829	78%	0.782	S	S	*	*			trans	42.4	100.9	150.1	-50.1	-18.2	0	0	0	120.2
817	S	29.5	Very low	30.7	Very low	128 Å²	128	133.3 Å²	133.3	90%	0.895	78%	0.777	S	S	*	*				-167.7	125.6	114.7	-79.9	0	0	0	0	112.2
818	E	29.7	Very low	30.4	Very low	199 Å²	199	131.9 Å²	131.9	93%	0.93	77%	0.77	S	S	*	*			trans	-89.8	136.7	167.8	-57.4	-179.8	121.9	0	0	110.5
819	A	30.6	Very low	30.1	Very low	97 Å²	97	132 Å²	132	80%	0.802	78%	0.777	S	S	*	*			trans	-172.8	128.4	143.6	0	0	0	0	0	114.6
820	S	27.7	Very low	30.1	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	78%	0.778	S	S	*	*			trans	65.8	119.1	144.4	-151.7	0	0	0	0	122.6
821	S	31.3	Very low	29.9	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	77%	0.774	S	S	*	*			trans	59.6	111.6	136.3	60.3	0	0	0	0	121.6
822	G	26.1	Very low	29.7	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	77%	0.771	S	S	*	*			trans	-81.1	-150.4	142	0	0	0	0	0	111.6
823	P	44	Very low	29.4	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	77%	0.773	S	S	*	*			cis	-139.8	175.7	17	44.6	-27.9	0	0	0	116.8
824	L	27	Very low	29.2	Very low	149 Å²	149	129.6 Å²	129.6	78%	0.78	76%	0.763	S	S	*	*			trans	55.3	128.2	151.1	-67.8	158.4	0	0	0	120.4
825	L	30.4	Very low	29.1	Very low	145 Å²	145	125.7 Å²	125.7	76%	0.759	75%	0.752	S	S	*	*				179.7	137.9	96.2	-90.3	176.3	0	0	0	113.8
826	D	27.5	Very low	28.8	Very low	134 Å²	134	130.1 Å²	130.1	72%	0.717	76%	0.757	S	S	*	*			trans	37.6	109.1	140.6	-62.6	-3.7	0	0	0	124.2
827	D	27.8	Very low	28.9	Very low	120 Å²	120	128 Å²	128	64%	0.642	76%	0.755	S	S	*	*				72.8	140.8	97.3	-157.6	31.1	0	0	0	122.8
828	K	28.2	Very low	29.4	Very low	162 Å²	162	126.9 Å²	126.9	70%	0.704	74%	0.744	S	S	*	*			trans	61.2	101.1	158.3	-85.8	163.1	-162.5	71.3	0	122.9
829	A	25.7	Very low	29.2	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	73%	0.733	S	S	*	*				54.7	134	103.8	0	0	0	0	0	121.8
830	S	30.1	Very low	29.1	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	73%	0.729	S	S	*	*				-170.5	172.4	93.4	88.7	0	0	0	0	110
831	S	27.1	Very low	28.9	Very low	94 Å²	94	128.4 Å²	128.4	66%	0.657	73%	0.731	S	S	*	*			cis	-154.8	158.5	7.8	-98.5	0	0	0	0	110.5
832	K	28	Very low	28.7	Very low	184 Å²	184	128.6 Å²	128.6	80%	0.8	72%	0.723	S	S	*	*			trans	24.8	155.8	133.9	-56.6	-174	174.8	-174.7	0	120.9
833	N	27.3	Very low	28.7	Very low	124 Å²	124	130.2 Å²	130.2	66%	0.663	72%	0.723	S	S	*	*			cis	-170.4	-175.4	-8.3	-106.3	33.4	0	0	0	105.1
834	D	26.4	Very low	27.8	Very low	126 Å²	126	130.8 Å²	130.8	67%	0.674	72%	0.719	S	S	*	*			cis	-153	-169	8	-136.7	-48.6	0	0	0	112.1
835	L	27.5	Very low	27.8	Very low	134 Å²	134	133.9 Å²	133.9	70%	0.702	72%	0.722	S	S	*	*			trans	-51.9	148.3	170.7	-69.1	152.2	0	0	0	118.7
836	Q	23.5	Very low	27.5	Very low	179 Å²	179	129.9 Å²	129.9	84%	0.836	72%	0.716	S	S	*	*			trans	30.1	144.7	135.8	-68	174.8	-56.5	0	0	123.3
837	S	30.8	Very low	27.4	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	73%	0.729	S	S	*	*			trans	-67.8	167.5	169.6	55.9	0	0	0	0	114
838	P	41.3	Very low	27.2	Very low	103 Å²	103	131.8 Å²	131.8	67%	0.669	73%	0.732	S	S	*	*				-156.5	158.9	104.5	41.3	-24	0	0	0	117.8
839	T	25.8	Very low	27.2	Very low	114 Å²	114	127.9 Å²	127.9	70%	0.699	74%	0.737	S	S	*	*			trans	57.2	158.7	139.4	57.9	0	0	0	0	121.7
840	E	27.5	Very low	27.2	Very low	150 Å²	150	130.1 Å²	130.1	70%	0.701	74%	0.741	S	S	*	*			cis	-167.1	158.3	-15.6	-113.2	167.7	-160.5	0	0	110.1
841	H	23.9	Very low	27	Very low	171 Å²	171	133.5 Å²	133.5	79%	0.792	75%	0.746	S	S	*	*			trans	159	148.1	132.8	-101.7	-102.2	0	0	0	111.2
842	I	26.2	Very low	26.9	Very low	109 Å²	109	132.8 Å²	132.8	56%	0.559	75%	0.754	S	S	*	*			cis	-169.4	157.3	-41.1	-121	164.4	0	0	0	109.2
843	S	26.1	Very low	26.8	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	76%	0.758	S	S	*	*			trans	65.6	148.1	162.6	60.8	0	0	0	0	121.2
844	D	25.6	Very low	26.6	Very low	123 Å²	123	135.9 Å²	135.9	66%	0.658	77%	0.767	S	S	*	*			cis	-168.6	165.9	-32.2	-147.3	-21.7	0	0	0	111.4
845	Y	27.2	Very low	26.5	Very low	214 Å²	214	141 Å²	141	84%	0.839	78%	0.777	S	S	*	*			trans	58.6	139.8	167	-64.6	-71.6	0	0	0	120.3
846	G	25	Very low	26.5	Very low	61 Å²	61	142 Å²	142	63%	0.629	78%	0.781	S	S	*	*			cis	157.6	149.7	-10.1	0	0	0	0	0	114.8
847	F	23.7	Very low	26.6	Very low	228 Å²	228	142.9 Å²	142.9	100%	1	78%	0.777	S	S	*	*			trans	63.3	151.5	174	-103.4	-109.7	0	0	0	117
848	G	25	Very low	26.5	Very low	67 Å²	67	142.3 Å²	142.3	69%	0.691	77%	0.774	S	S	*	*			cis	168.9	141.9	-6.7	0	0	0	0	0	110.5
849	G	27.1	Very low	25.9	Very low	79 Å²	79	144 Å²	144	81%	0.814	78%	0.777	S	S	*	*			trans	-97.8	161.7	-174.2	0	0	0	0	0	115.4
850	V	25.9	Very low	25.9	Very low	145 Å²	145	142.8 Å²	142.8	88%	0.879	79%	0.787	S	S	*	*			trans	-164	157.1	162	126.3	0	0	0	0	112.7
851	M	25.5	Very low	25.9	Very low	180 Å²	180	140.8 Å²	140.8	89%	0.887	80%	0.796	S	S	*	*			trans	-25.4	144.5	178.9	-59.4	-177.2	175	0	0	120.6
852	G	25.7	Very low	26	Very low	80 Å²	80	137.6 Å²	137.6	83%	0.825	80%	0.799	S	S	*	*			trans	-146.8	115.5	161.6	0	0	0	0	0	113.7
853	R	25.6	Very low	26.2	Very low	233 Å²	233	140 Å²	140	88%	0.879	81%	0.812	S	S	*	*			trans	-81.9	142.9	-173.5	-68.7	171.5	173.3	154.7	-4.2	114.6
854	V	23.5	Very low	27	Very low	139 Å²	139	140.3 Å²	140.3	84%	0.842	81%	0.811	S	S	*	*			trans	10.9	120.4	131.3	-179.5	0	0	0	0	117.5
855	R	24.5	Very low	27.2	Very low	235 Å²	235	144.1 Å²	144.1	89%	0.887	82%	0.816	S	S	*	*				-158.1	150	124.2	-136.3	179.1	179.8	128.2	5.2	116.2
856	L	27.1	Very low	27.2	Very low	153 Å²	153	141.8 Å²	141.8	80%	0.801	81%	0.806	S	S	*	*			trans	-89.5	164.1	171.9	-161.5	83.8	0	0	0	111.9
857	R	25	Very low	27.4	Very low	198 Å²	198	148.5 Å²	148.5	75%	0.747	81%	0.812	S	S	*	*			trans	108.9	130.9	170	-65.9	171.7	172.7	-91	-4.2	112.9
858	S	29.4	Very low	27.5	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	80%	0.801	S	S	*	*			cis	82.6	128.2	29.5	-161.9	0	0	0	0	115.2
859	D	27.8	Very low	27.6	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	81%	0.806	S	S	*	*			trans	116	133.4	157.1	-55	-8.4	0	0	0	115
860	G	27.3	Very low	27.6	Very low	88 Å²	88	143.2 Å²	143.2	91%	0.907	81%	0.805	S	S	*	*			trans	147.7	85.9	170.4	0	0	0	0	0	115.7
861	A	27	Very low	27.7	Very low	108 Å²	108	143.8 Å²	143.8	89%	0.893	80%	0.803	S	S	*	*			trans	-101.2	150.9	177.3	0	0	0	0	0	113.3
862	A	25.4	Very low	27.8	Very low	104 Å²	104	140.8 Å²	140.8	86%	0.86	80%	0.795	S	S	*	*			trans	-155.7	141.4	155.9	0	0	0	0	0	112
863	I	31.1	Very low	27.9	Very low	161 Å²	161	145.4 Å²	145.4	83%	0.826	80%	0.795	S	S	*	*			trans	-116	157	171	-33.3	175.3	0	0	0	107.2
864	P	42.9	Very low	28.3	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	79%	0.79	S	S	*	*				-152	124.8	113.3	33.5	-14.4	0	0	0	117.6
865	R	29.2	Very low	29.7	Very low	203 Å²	203	138.7 Å²	138.7	77%	0.766	79%	0.787	S	S	*	*			trans	73.7	156.4	135.6	-67.9	176.7	168.8	-176.4	0.5	117.5
866	R	27.5	Very low	31	Very low	164 Å²	164	133.2 Å²	133.2	62%	0.619	78%	0.782	S	S	*	*			cis	-161.2	142.4	8.9	-134.6	166.7	-170.7	-127.1	5.9	113
867	R	29.8	Very low	31.2	Very low	203 Å²	203	137.5 Å²	137.5	77%	0.766	79%	0.787	S	S	*	*			trans	47.4	146.4	145.1	-71.9	176.4	179.3	-167.5	-5.1	120.1
868	S	26	Very low	31.3	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	79%	0.788	S	S	*	*			cis	-169.2	166.8	-2.1	-105.4	0	0	0	0	107.9
869	G	26.4	Very low	31.3	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	80%	0.801	S	S	*	*			cis	110.4	102.1	0.5	0	0	0	0	0	114.1
870	G	26.9	Very low	31.3	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	80%	0.795	S	S	*	*			trans	-168.7	140.4	175	0	0	0	0	0	113.7
871	D	28.8	Very low	32.3	Very low	156 Å²	156	133.7 Å²	133.7	83%	0.834	79%	0.791	S	S	*	*			trans	-87.2	169.7	-172.5	-48.5	-96.3	0	0	0	114.7
872	T	27.7	Very low	32.5	Very low	117 Å²	117	133 Å²	133	72%	0.718	78%	0.78	S	S	*	*				172	138	113.1	34.1	0	0	0	0	117.3
873	H	27.9	Very low	32.8	Very low	177 Å²	177	135.4 Å²	135.4	82%	0.819	78%	0.776	S	S	*	*			trans	61.5	141.2	142.1	-57.2	-43.7	0	0	0	126.2
874	S	33	Very low	32.7	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	77%	0.771	S	S	*	*			trans	-138.2	-176.6	158.6	-33.1	0	0	0	0	107.3
875	P	54.1	Low	32	Very low	118 Å²	118	134.7 Å²	134.7	77%	0.766	77%	0.773	S	S	*	*			cis	-112.4	-104.3	4.3	23.8	2.2	0	0	0	113.5
876	P	49.8	Very low	33.4	Very low	120 Å²	120	130.3 Å²	130.3	78%	0.779	77%	0.771	S	S	*	*			cis	-113.2	-118.1	9	41.3	-26.3	0	0	0	115.1
877	R	32.2	Very low	35	Very low	243 Å²	243	127.8 Å²	127.8	92%	0.917	78%	0.775	S	S	*	*			trans	-155.3	143.7	-171.4	-71.6	178.1	171.4	168.7	-5.3	114.9
878	G	28.2	Very low	35.2	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	78%	0.782	S	S	*	*				83.6	145.3	110.2	0	0	0	0	0	122.8
879	L	29.4	Very low	35.4	Very low	184 Å²	184	128.3 Å²	128.3	96%	0.963	78%	0.778	S	S	*	*			trans	-168.1	148.9	143.1	-105.7	166.2	0	0	0	110.8
880	G	26.6	Very low	35.6	Very low	60 Å²	60	129.4 Å²	129.4	62%	0.619	78%	0.78	S	S	*	*			trans	-133.9	-143.4	178.9	0	0	0	0	0	110.9
881	P	47.8	Very low	35.7	Very low	126 Å²	126	130.5 Å²	130.5	82%	0.818	78%	0.781	S	S	*	*			cis	-94.2	-126.4	4.4	23.2	-3.2	0	0	0	110.8
882	S	31.1	Very low	35.8	Very low	95 Å²	95	129 Å²	129	66%	0.664	78%	0.781	S	S	*	*			cis	-175.2	159.1	0.6	20.5	0	0	0	0	106.8
883	I	33.4	Very low	36.4	Very low	154 Å²	154	128.6 Å²	128.6	79%	0.79	78%	0.781	S	S	*	*			cis	-164.5	163.6	-6.7	-110.7	171	0	0	0	104.9
884	D	27.4	Very low	36.3	Very low	134 Å²	134	126 Å²	126	72%	0.717	78%	0.783	S	S	*	*			cis	-136.3	-156.2	17.9	-147.8	-35.1	0	0	0	112
885	T	29.1	Very low	36.4	Very low	124 Å²	124	126 Å²	126	76%	0.761	78%	0.782	S	S	*	*			trans	-167	-153.6	-176.6	-7.5	0	0	0	0	109.7
886	P	58.9	Low	36	Very low	111 Å²	111	125.6 Å²	125.6	72%	0.721	78%	0.78	S	S	*	*			cis	-124.7	-152.1	-21.8	37	-15.5	0	0	0	110.7
887	P	60.6	Low	35	Very low	110 Å²	110	127.2 Å²	127.2	71%	0.714	78%	0.777	S	S	*	*			cis	-127.5	-153	-9.7	47.2	-29.5	0	0	0	111.4
888	R	34.5	Very low	34.9	Very low	242 Å²	242	123.3 Å²	123.3	91%	0.913	77%	0.766	S	S	*	*			cis	-168	164.7	-19	-122	167.3	-173.2	160.8	1.8	105.1
889	A	29.3	Very low	34.9	Very low	82 Å²	82	126.8 Å²	126.8	68%	0.678	77%	0.766	S	S	*	*			cis	-153.9	157.3	-10.3	0	0	0	0	0	106.1
890	A	31.1	Very low	35.9	Very low	101 Å²	101	123.1 Å²	123.1	84%	0.835	75%	0.753	S	S	*	*				69.8	130.4	60.3	0	0	0	0	0	114.4
891	A	27.9	Very low	36	Very low	98 Å²	98	128.1 Å²	128.1	81%	0.81	76%	0.764	S	S	*	*			cis	-159	178.8	4.9	0	0	0	0	0	113.9
892	C	31.1	Very low	34.9	Very low	124 Å²	124	127.4 Å²	127.4	84%	0.838	76%	0.758	S	S	*	*			trans	-88.8	-157.3	171.2	-38.5	0	0	0	0	110.8
893	P	41.8	Very low	34.8	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	77%	0.771	S	S	*	*			cis	-152.2	-174.5	19.2	45.1	-22.6	0	0	0	120.1
894	S	25	Very low	34.5	Very low	122 Å²	122	130.7 Å²	130.7	85%	0.853	77%	0.768	S	S	*	*			trans	84.4	160.9	140.5	73.8	0	0	0	0	123.6
895	S	35.3	Very low	34.4	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	77%	0.774	S	S	*	*			trans	-150.8	153.7	-175	171.2	0	0	0	0	110.7
896	P	46.3	Very low	34.4	Very low	110 Å²	110	134.2 Å²	134.2	71%	0.714	76%	0.764	S	S	*	*			trans	-154.9	138.7	141.3	37.5	-18	0	0	0	119.7
897	H	28.3	Very low	32.8	Very low	155 Å²	155	137.2 Å²	137.2	72%	0.718	77%	0.769	S	S	*	*				75.4	125.8	124.6	-78.3	19.4	0	0	0	127.1
898	K	29.5	Very low	31.2	Very low	161 Å²	161	136.9 Å²	136.9	70%	0.7	77%	0.769	S	S	*	*				94.5	104.8	118.2	-79.7	-174	175	174.3	0	126.5
899	I	29.2	Very low	31.9	Very low	148 Å²	148	130.6 Å²	130.6	76%	0.759	76%	0.759	S	S	*	*			trans	52.5	-178	132.2	23.4	176.4	0	0	0	121.5
900	P	50	Low	31.9	Very low	106 Å²	106	133.5 Å²	133.5	69%	0.688	76%	0.759	S	S	*	*				-123.2	177.8	-76	35.7	-17.7	0	0	0	115.3
901	L	27.9	Very low	31.9	Very low	165 Å²	165	135.6 Å²	135.6	86%	0.864	75%	0.749	S	S	*	*				177.5	174.1	122.9	-95.4	167.3	0	0	0	116.2
902	T	25.4	Very low	32	Very low	111 Å²	111	141.4 Å²	141.4	68%	0.681	75%	0.75	S	S	*	*			trans	-115	170	-151.4	55	0	0	0	0	117.9
903	R	28	Very low	31.8	Very low	248 Å²	248	146.7 Å²	146.7	94%	0.936	75%	0.753	S	S	*	*			trans	83.4	146.1	164.6	-61.3	175.6	167.7	-179.9	-4.1	116.6
904	G	27.2	Very low	31.1	Very low	71 Å²	71	150.6 Å²	150.6	73%	0.732	76%	0.764	S	S	*	*			cis	153.8	162.6	-13.1	0	0	0	0	0	115.6
905	R	26.6	Very low	31.2	Very low	221 Å²	221	149 Å²	149	83%	0.834	76%	0.758	S	S	*	*			trans	73.6	122.1	164.7	-105.9	-170.4	158.8	-126	-5.1	120.4
906	I	28	Very low	30.9	Very low	110 Å²	110	149.2 Å²	149.2	56%	0.564	76%	0.755	S	S	*	*				69.8	150.6	128.9	-75.1	178	0	0	0	117.9
907	E	25.6	Very low	30	Very low	174 Å²	174	153.9 Å²	153.9	81%	0.813	76%	0.764	S	S	*	*			cis	-143.6	-174.3	13.9	-149.2	130.5	-121	0	0	113.1
908	S	27.8	Very low	30	Very low	104 Å²	104	149.9 Å²	149.9	73%	0.727	77%	0.765	S	S	*	*			trans	-146.9	140.5	162.4	-172.3	0	0	0	0	108.9
909	P	48.3	Very low	29.9	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	77%	0.773	S	S	*	*				-158.4	154.3	106.4	39.5	-19.9	0	0	0	119.1
910	E	30	Very low	30	Very low	144 Å²	144	146.4 Å²	146.4	67%	0.673	78%	0.781	S	S	*	*			trans	64	138.3	133.6	-72.4	-163.2	125.5	0	0	127.7
911	K	30.1	Very low	28.9	Very low	144 Å²	144	145 Å²	145	63%	0.626	79%	0.786	S	S	*	*			trans	89.1	109.7	133.6	-79.7	163.1	-178.6	148.4	0	124
912	R	29.8	Very low	28.9	Very low	220 Å²	220	142.5 Å²	142.5	83%	0.83	78%	0.782	S	S	*	*				90.7	141.8	124.9	-79.7	-178.6	174.7	171.2	-1.5	123.5
913	R	28.5	Very low	29.1	Very low	235 Å²	235	144.6 Å²	144.6	89%	0.887	79%	0.788	S	S	*	*			trans	86.4	104.8	158.4	-69.4	-174.2	-168.8	-111.5	6.2	120.7
914	M	26.5	Very low	29.1	Very low	192 Å²	192	140 Å²	140	95%	0.946	78%	0.781	S	S	*	*				28.3	142.4	123.9	-79.2	175.2	150.4	0	0	123.1
915	A	27.8	Very low	29.1	Very low	89 Å²	89	147 Å²	147	74%	0.736	79%	0.787	S	S	*	*			trans	105.5	91	139.2	0	0	0	0	0	121
916	T	27.7	Very low	29.3	Very low	117 Å²	117	142.5 Å²	142.5	72%	0.718	79%	0.786	S	S	*	*				63.1	131.8	125.6	-11.4	0	0	0	0	123.8
917	F	28.5	Very low	29.3	Very low	208 Å²	208	144.5 Å²	144.5	91%	0.912	80%	0.798	S	S	*	*			trans	59.4	125.3	158	-73.1	-60.2	0	0	0	121.6
918	G	26.7	Very low	29.6	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	80%	0.8	S	S	*	*			trans	132.3	106.5	133.8	0	0	0	0	0	119.6
919	S	28.4	Very low	29.8	Very low	124 Å²	124	150.2 Å²	150.2	87%	0.867	81%	0.807	S	S	*	*			trans	59.4	111	148.4	-65.2	0	0	0	0	123.5
920	A	31	Very low	28.9	Very low	111 Å²	111	148.9 Å²	148.9	92%	0.917	81%	0.806	S	S	*	*				66.7	119.2	124.4	0	0	0	0	0	122.2
921	G	27.8	Very low	28.8	Very low	78 Å²	78	149.4 Å²	149.4	80%	0.804	81%	0.812	S	S	*	*			trans	154.7	84	171.9	0	0	0	0	0	110.3
922	S	27.7	Very low	28.6	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	81%	0.812	S	S	*	*			cis	101.6	123.1	47.8	-167.9	0	0	0	0	112.1
923	I	29.7	Very low	28.4	Very low	156 Å²	156	143.6 Å²	143.6	80%	0.8	81%	0.806	S	S	*	*			trans	77.4	105.6	167.3	-61.2	160.8	0	0	0	118.5
924	N	27.3	Very low	28.4	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	79%	0.79	S	S	*	*			trans	-43	164.9	164.3	-55.4	-9.5	0	0	0	117.8
925	Y	27.6	Very low	28.6	Very low	219 Å²	219	134.5 Å²	134.5	86%	0.859	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-54.7	150.5	152.2	-85.6	-112.5	0	0	0	112.4
926	P	31.2	Very low	28.6	Very low	126 Å²	126	134.4 Å²	134.4	82%	0.818	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78	141.9	169.5	33	-33.8	0	0	0	111.9
927	D	26.9	Very low	28.6	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-97.6	165.3	177.4	-161.2	1.4	0	0	0	112
928	K	33.4	Very low	28.6	Very low	196 Å²	196	136.3 Å²	136.3	85%	0.852	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.6	137	178.1	-70.1	177.3	179	174.4	0	111.7
929	K	31.6	Very low	28.7	Very low	202 Å²	202	137 Å²	137	88%	0.878	77%	0.768	S	S	*	*			trans	-150	157.9	169.1	-81.3	-158.8	174.6	-173.7	0	110.1
930	A	29.5	Very low	28.6	Very low	81 Å²	81	136.9 Å²	136.9	67%	0.669	76%	0.763	S	S	*	*			cis	-173.6	-143	-20.4	0	0	0	0	0	107
931	L	26.3	Very low	28.4	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	76%	0.764	S	S	*	*			trans	101.1	124.9	175.1	-58.3	172.1	0	0	0	112.4
932	S	27.1	Very low	28.4	Very low	89 Å²	89	137.8 Å²	137.8	62%	0.622	76%	0.759	S	S	*	*			cis	-159.7	161.1	1.4	-86.7	0	0	0	0	107.9
933	E	25.1	Very low	28.5	Very low	152 Å²	152	137.8 Å²	137.8	71%	0.71	76%	0.759	S	S	*	*			cis	-149.9	-149.8	-4.4	-139.7	51.8	-86.6	0	0	107.1
934	G	28.6	Very low	28.4	Very low	52 Å²	52	135.8 Å²	135.8	54%	0.536	76%	0.755	S	S	.	*			cis	178.4	91.5	-3.8	0	0	0	0	0	115.7
935	H	30.3	Very low	28.6	Very low	184 Å²	184	139 Å²	139	85%	0.852	76%	0.755	S	S	*	*			trans	76.7	157.3	153.9	-52.1	-68.7	0	0	0	120.3
936	S	27.5	Very low	28.6	Very low	88 Å²	88	136.1 Å²	136.1	62%	0.615	75%	0.75	S	S	*	*			cis	-180	135.7	-34.6	-165.3	0	0	0	0	107.8
937	M	29.2	Very low	28.6	Very low	141 Å²	141	135.2 Å²	135.2	70%	0.695	75%	0.747	S	S	*	*				166.4	139.3	90.3	-86.6	-66.8	-99.7	0	0	112.2
938	R	28	Very low	29.2	Very low	224 Å²	224	133.2 Å²	133.2	85%	0.845	74%	0.744	S	S	*	*			trans	60.9	155.6	145.3	-90.1	-174	166.1	158.5	-2	121.6
939	S	27.8	Very low	29.2	Very low	84 Å²	84	132 Å²	132	59%	0.587	75%	0.746	S	S	*	*			cis	-161.2	135	-12.3	-153.6	0	0	0	0	114.9
940	T	27.1	Very low	29.8	Very low	123 Å²	123	125 Å²	125	76%	0.755	73%	0.731	S	S	*	*			trans	43.9	115.3	139.9	56.7	0	0	0	0	125
941	C	26.7	Very low	30.5	Very low	138 Å²	138	127 Å²	127	93%	0.932	73%	0.731	S	S	*	*				67.3	129.4	118.6	-160.6	0	0	0	0	123.7
942	G	28	Very low	31.2	Very low	69 Å²	69	127 Å²	127	71%	0.711	73%	0.726	S	S	*	*			trans	141	109.8	133.1	0	0	0	0	0	121.6
943	S	29.3	Very low	31.9	Very low	111 Å²	111	131.3 Å²	131.3	78%	0.776	73%	0.734	S	S	*	*			trans	67.9	115.7	139.4	-152.7	0	0	0	0	124
944	T	28.1	Very low	32.7	Very low	114 Å²	114	126.3 Å²	126.3	70%	0.699	72%	0.715	S	S	*	*				71.1	115.1	129.1	-51.5	0	0	0	0	123.1
945	R	31.2	Very low	33.6	Very low	217 Å²	217	128.6 Å²	128.6	82%	0.819	72%	0.715	S	S	*	*			trans	85.1	138.4	148.2	-84.4	177.3	-171	-171.5	1.9	122.7
946	H	27.4	Very low	34.4	Very low	159 Å²	159	126.8 Å²	126.8	74%	0.736	71%	0.707	S	S	*	*			trans	72.6	102.1	157.8	-67.5	-63	0	0	0	121.6
947	S	32.3	Very low	35.7	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	70%	0.701	S	S	*	*			trans	59.7	120.7	133.3	59.4	0	0	0	0	122.1
948	S	39	Very low	37	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	69%	0.694	S	S	*	*			trans	68	102	143.6	-173.8	0	0	0	0	119.1
949	L	34.1	Very low	38.5	Very low	170 Å²	170	116.3 Å²	116.3	89%	0.89	68%	0.676	S	S	*	*				-166.1	162.3	117.4	-99.9	161.2	0	0	0	109.4
950	G	43.4	Very low	40	Very low	55 Å²	55	117.7 Å²	117.7	57%	0.567	68%	0.676	S	S	*	*			trans	-109.1	-150.3	-172.6	0	0	0	0	0	114.7
951	D	44.8	Very low	41.7	Very low	123 Å²	123	114.5 Å²	114.5	66%	0.658	66%	0.662	S	S	*	*			trans	67.2	50.7	152.4	-45.2	-26.2	0	0	0	118.2
952	H	40.3	Very low	43.6	Very low	156 Å²	156	114.7 Å²	114.7	72%	0.722	65%	0.649	S	S	*	*	S	Bend	trans	-124.2	-12.4	157.5	-96	-62.4	0	0	0	115.4
953	K	42.5	Very low	45.7	Very low	181 Å²	181	115.9 Å²	115.9	79%	0.787	64%	0.639	S	S	*	*	S	Bend	trans	-99.2	-12.2	177	-81.4	-162.1	169	-162.7	0	115.2
954	S	41.9	Very low	48.1	Very low	46 Å²	46	114.9 Å²	114.9	32%	0.322	62%	0.624	S	S	.	*	H	α-helix	trans	-71.6	-49.2	168.9	44.2	0	0	0	0	110.6	E956 A957 E958	S954-E956 VanDerWaalsContact C-N 3.33Å; S954-E956 PolarHBondContact O-N 3.29Å; S954-A957 CarbonylContact O-C 3.5Å; S954-A957 WeakPolarHBondContact O-CA 3.39Å; S954-A957 WeakPolarHBondContact O-CB 3.39Å; S954-A957 PolarHBondContact O-N 3.45Å; S954-E958 PolarHBondContact O-N 3.29Å
955	L	45.8	Very low	50.5	Low	101 Å²	101	116 Å²	116	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-58.4	-36.2	-175.2	-70.6	166.6	0	0	0	114.3	A957 A959	L955-A957 VanDerWaalsContact C-N 3.34Å; L955-A959 VanDerWaalsContact O-CB 3.22Å; L955-A959 WeakPolarHBondContact O-CB 3.43Å; L955-A959 PolarHBondContact O-N 3.14Å
956	E	47.4	Very low	52.6	Low	145 Å²	145	112 Å²	112	68%	0.678	61%	0.61	S	S	*	*	H	α-helix	trans	-70.2	-30.3	173.8	-68.6	-176.1	138.9	0	0	112.5	S954 L960	S954-E956 VanDerWaalsContact C-N 3.33Å; S954-E956 PolarHBondContact O-N 3.29Å; E956-L960 WeakPolarHBondContact O-CB 3.19Å; E956-L960 PolarHBondContact O-N 3.35Å
957	A	55	Low	55	Low	59 Å²	59	108.7 Å²	108.7	49%	0.488	60%	0.601	S	S	.	*	H	α-helix	trans	-81.4	-36.5	177.1	0	0	0	0	0	112.4	S954 L955 L960 A961	S954-A957 CarbonylContact O-C 3.5Å; S954-A957 WeakPolarHBondContact O-CA 3.39Å; S954-A957 WeakPolarHBondContact O-CB 3.39Å; S954-A957 PolarHBondContact O-N 3.45Å; L955-A957 VanDerWaalsContact C-N 3.34Å; A957-L960 PolarHBondContact O-N 3.33Å; A957-A961 WeakPolarHBondContact O-CB 3.47Å; A957-A961 PolarHBondContact O-N 3.19Å
958	E	55.8	Low	56.6	Low	118 Å²	118	109.1 Å²	109.1	55%	0.551	59%	0.592	S	S	*	*	H	α-helix	trans	-67.5	-43.9	173.9	-71.2	172.7	128.2	0	0	110.9	S954 L960 A961 E962	S954-E958 PolarHBondContact O-N 3.29Å; E958-L960 VanDerWaalsContact C-N 3.33Å; E958-L960 PolarHBondContact O-N 2.85Å; E958-A961 PolarHBondContact O-N 3.23Å; E958-E962 WeakPolarHBondContact O-CB 3.47Å; E958-E962 PolarHBondContact O-N 3.28Å
959	A	59.8	Low	58.1	Low	56 Å²	56	107.1 Å²	107.1	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-62.1	-38.3	174.4	0	0	0	0	0	112.6	L955 D963	L955-A959 VanDerWaalsContact O-CB 3.22Å; L955-A959 WeakPolarHBondContact O-CB 3.43Å; L955-A959 PolarHBondContact O-N 3.14Å; A959-D963 PolarHBondContact O-N 2.9Å; A959-D963 VanDerWaalsContact O-N 3.12Å
960	L	59.7	Low	60.3	Low	114 Å²	114	102.6 Å²	102.6	60%	0.597	56%	0.558	S	S	*	*	H	α-helix	trans	-68	-38.2	174.6	-177.2	62.3	0	0	0	111.9	E956 A957 E958 I964	E956-L960 WeakPolarHBondContact O-CB 3.19Å; E956-L960 PolarHBondContact O-N 3.35Å; A957-L960 PolarHBondContact O-N 3.33Å; E958-L960 VanDerWaalsContact C-N 3.33Å; E958-L960 PolarHBondContact O-N 2.85Å; L960-I964 HydrophobicContact CD1-CD1 4.34Å; L960-I964 HydrophobicContact CG-CD1 4.1Å; L960-I964 WeakPolarHBondContact O-CD1 3.34Å; L960-I964 VanDerWaalsContact O-CG1 3.22Å; L960-I964 WeakPolarHBondContact O-CG1 3.34Å; L960-I964 PolarHBondContact O-N 2.73Å; L960-I964 VanDerWaalsContact O-N 3.11Å
961	A	63.3	Low	61.4	Low	55 Å²	55	102.1 Å²	102.1	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-67.1	-42	175.8	0	0	0	0	0	112.2	A957 E958 I964 E965	A957-A961 WeakPolarHBondContact O-CB 3.47Å; A957-A961 PolarHBondContact O-N 3.19Å; E958-A961 PolarHBondContact O-N 3.23Å; A961-I964 PolarHBondContact O-N 2.87Å; A961-E965 WeakPolarHBondContact O-CB 3.36Å; A961-E965 PolarHBondContact O-N 3.44Å
962	E	66.9	Low	62.7	Low	142 Å²	142	100.6 Å²	100.6	66%	0.664	54%	0.54	S	S	*	.	H	α-helix	trans	-63.8	-40.1	177.7	-170.4	175.4	-155.1	0	0	111.6	E958 E965 K966	E958-E962 WeakPolarHBondContact O-CB 3.47Å; E958-E962 PolarHBondContact O-N 3.28Å; E962-E965 PolarHBondContact O-N 3.22Å; E962-K966 WeakPolarHBondContact O-CB 3.5Å; E962-K966 PolarHBondContact O-N 2.96Å
963	D	71.9	Confident	64.4	Low	94 Å²	94	98.8 Å²	98.8	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-72.2	-31.4	177.2	-145.6	41.5	0	0	0	112.5	A959 T967	A959-D963 PolarHBondContact O-N 2.9Å; A959-D963 VanDerWaalsContact O-N 3.12Å; D963-T967 VanDerWaalsContact O-CB 3.31Å; D963-T967 WeakPolarHBondContact O-CB 3.38Å; D963-T967 PolarHBondContact O-N 2.65Å; D963-T967 PolarHBondContact O-OG1 3.45Å
964	I	78.9	Confident	65.9	Low	91 Å²	91	96 Å²	96	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-49.2	169.7	-70.8	165.9	0	0	0	111.1	L960 A961 K966 T967 M968	L960-I964 HydrophobicContact CD1-CD1 4.34Å; L960-I964 HydrophobicContact CG-CD1 4.1Å; L960-I964 WeakPolarHBondContact O-CD1 3.34Å; L960-I964 VanDerWaalsContact O-CG1 3.22Å; L960-I964 WeakPolarHBondContact O-CG1 3.34Å; L960-I964 PolarHBondContact O-N 2.73Å; L960-I964 VanDerWaalsContact O-N 3.11Å; A961-I964 PolarHBondContact O-N 2.87Å; I964-K966 VanDerWaalsContact C-N 3.27Å; I964-K966 PolarHBondContact O-N 3.09Å; I964-T967 PolarHBondContact O-N 3.36Å; I964-M968 HydrophobicContact CG2-SD 4.28Å; I964-M968 WeakPolarHBondContact O-CG 3.3Å; I964-M968 PolarHBondContact O-N 3.28Å
965	E	78.2	Confident	67	Low	137 Å²	137	98.7 Å²	98.7	64%	0.64	53%	0.532	S	S	*	.	H	α-helix	trans	-61.3	-38.6	179.4	-178.1	171.9	-170.5	0	0	111.4	A961 E962 S969	A961-E965 WeakPolarHBondContact O-CB 3.36Å; A961-E965 PolarHBondContact O-N 3.44Å; E962-E965 PolarHBondContact O-N 3.22Å; E965-S969 VanDerWaalsContact O-CB 3.27Å; E965-S969 WeakPolarHBondContact O-CB 3.25Å; E965-S969 PolarHBondContact O-N 3.18Å; E965-S969 PolarHBondContact O-OG 3.42Å
966	K	75.7	Confident	68.1	Low	134 Å²	134	102 Å²	102	58%	0.583	54%	0.538	S	S	*	.	H	α-helix	trans	-66.7	-43.5	174.5	-174.1	-179.6	179.8	-172	0	112.2	E962 I964 S969 T970	E962-K966 WeakPolarHBondContact O-CB 3.5Å; E962-K966 PolarHBondContact O-N 2.96Å; I964-K966 VanDerWaalsContact C-N 3.27Å; I964-K966 PolarHBondContact O-N 3.09Å; K966-S969 PolarHBondContact O-N 3.24Å; K966-T970 PolarHBondContact O-N 2.78Å; K966-T970 PolarHBondContact O-OG1 2.93Å
967	T	77.9	Confident	68.9	Low	89 Å²	89	98 Å²	98	55%	0.546	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-46.3	175.4	-60.9	0	0	0	0	111.2	D963 I964 S969 T970 A971	D963-T967 VanDerWaalsContact O-CB 3.31Å; D963-T967 WeakPolarHBondContact O-CB 3.38Å; D963-T967 PolarHBondContact O-N 2.65Å; D963-T967 PolarHBondContact O-OG1 3.45Å; I964-T967 PolarHBondContact O-N 3.36Å; T967-S969 VanDerWaalsContact C-N 3.34Å; T967-S969 PolarHBondContact O-N 3.11Å; T967-T970 PolarHBondContact O-N 3.46Å; T967-A971 PolarHBondContact O-N 3.08Å
968	M	65.6	Low	69.3	Low	116 Å²	116	100.2 Å²	100.2	57%	0.571	52%	0.522	S	S	*	.	H	α-helix	trans	-60.7	-42	173.8	-72.7	-177.7	65.4	0	0	112	I964 T970 A971 L972	I964-M968 HydrophobicContact CG2-SD 4.28Å; I964-M968 WeakPolarHBondContact O-CG 3.3Å; I964-M968 PolarHBondContact O-N 3.28Å; M968-T970 VanDerWaalsContact C-N 3.32Å; M968-T970 PolarHBondContact O-N 2.85Å; M968-A971 PolarHBondContact O-N 2.98Å; M968-L972 WeakPolarHBondContact O-CB 3.45Å; M968-L972 VanDerWaalsContact O-CG 3.27Å; M968-L972 WeakPolarHBondContact O-CG 3.37Å; M968-L972 PolarHBondContact O-N 3.06Å
969	S	70.9	Confident	69.3	Low	68 Å²	68	100.9 Å²	100.9	48%	0.476	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-35.1	177.5	-63.1	0	0	0	0	112.5	E965 K966 T967 H973	E965-S969 VanDerWaalsContact O-CB 3.27Å; E965-S969 WeakPolarHBondContact O-CB 3.25Å; E965-S969 PolarHBondContact O-N 3.18Å; E965-S969 PolarHBondContact O-OG 3.42Å; K966-S969 PolarHBondContact O-N 3.24Å; T967-S969 VanDerWaalsContact C-N 3.34Å; T967-S969 PolarHBondContact O-N 3.11Å; S969-H973 PolarHBondContact O-N 2.87Å; S969-H973 VanDerWaalsContact O-N 3.14Å
970	T	79.4	Confident	69.1	Low	74 Å²	74	105.4 Å²	105.4	45%	0.454	53%	0.53	S	S	.	.	H	α-helix	trans	-68.8	-48.2	173.1	-54.6	0	0	0	0	111.3	K966 T967 M968 L972 H973 E974	K966-T970 PolarHBondContact O-N 2.78Å; K966-T970 PolarHBondContact O-OG1 2.93Å; T967-T970 PolarHBondContact O-N 3.46Å; M968-T970 VanDerWaalsContact C-N 3.32Å; M968-T970 PolarHBondContact O-N 2.85Å; T970-L972 VanDerWaalsContact C-N 3.31Å; T970-L972 PolarHBondContact O-N 3.11Å; T970-H973 WeakPolarHBondContact O-CA 3.18Å; T970-H973 WeakPolarHBondContact O-CB 3.28Å; T970-H973 PolarHBondContact O-N 3.26Å; T970-E974 PolarHBondContact O-N 2.96Å
971	A	68	Low	68.7	Low	46 Å²	46	105.8 Å²	105.8	38%	0.38	53%	0.529	S	S	.	.	H	α-helix	trans	-60	-39.2	177.1	0	0	0	0	0	112.7	T967 M968 H973 E974 L975	T967-A971 PolarHBondContact O-N 3.08Å; M968-A971 PolarHBondContact O-N 2.98Å; A971-H973 VanDerWaalsContact C-N 3.3Å; A971-H973 PolarHBondContact O-N 3.03Å; A971-E974 PolarHBondContact O-N 2.93Å; A971-L975 WeakPolarHBondContact O-CB 3.46Å; A971-L975 PolarHBondContact O-N 2.68Å
972	L	72.3	Confident	67.7	Low	90 Å²	90	110.1 Å²	110.1	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-25.8	174.2	-72.1	170.2	0	0	0	113.2	M968 T970 R976	M968-L972 WeakPolarHBondContact O-CB 3.45Å; M968-L972 VanDerWaalsContact O-CG 3.27Å; M968-L972 WeakPolarHBondContact O-CG 3.37Å; M968-L972 PolarHBondContact O-N 3.06Å; T970-L972 VanDerWaalsContact C-N 3.31Å; T970-L972 PolarHBondContact O-N 3.11Å; L972-R976 WeakPolarHBondContact O-CG 3.15Å; L972-R976 PolarHBondContact O-N 3.38Å
973	H	75.9	Confident	66.5	Low	118 Å²	118	108.7 Å²	108.7	55%	0.546	55%	0.545	S	S	.	.	H	α-helix	trans	-75.3	-41.4	170.7	-167.8	-46.2	0	0	0	111.3	S969 T970 A971 R976 E977	S969-H973 PolarHBondContact O-N 2.87Å; S969-H973 VanDerWaalsContact O-N 3.14Å; T970-H973 WeakPolarHBondContact O-CA 3.18Å; T970-H973 WeakPolarHBondContact O-CB 3.28Å; T970-H973 PolarHBondContact O-N 3.26Å; A971-H973 VanDerWaalsContact C-N 3.3Å; A971-H973 PolarHBondContact O-N 3.03Å; H973-R976 PolarHBondContact O-N 3.09Å; H973-E977 IonicContact CE1-OE2 3.02Å; H973-E977 PolarHBondContact O-N 2.98Å
974	E	74.1	Confident	65	Low	124 Å²	124	109.3 Å²	109.3	58%	0.579	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-40.9	177.8	-69.5	-179.1	164.3	0	0	111.6	T970 A971 R976 E977 L978	T970-E974 PolarHBondContact O-N 2.96Å; A971-E974 PolarHBondContact O-N 2.93Å; E974-R976 PolarHBondContact O-N 2.62Å; E974-E977 PolarHBondContact O-N 3.41Å; E974-L978 WeakPolarHBondContact O-CG 3.4Å; E974-L978 PolarHBondContact O-N 2.87Å
975	L	63.4	Low	63.1	Low	102 Å²	102	114.5 Å²	114.5	53%	0.534	57%	0.572	S	S	.	*	H	α-helix	trans	-56.8	-47.1	171	-87.4	161.9	0	0	0	112.5	A971 E977 L978 E979	A971-L975 WeakPolarHBondContact O-CB 3.46Å; A971-L975 PolarHBondContact O-N 2.68Å; L975-E977 VanDerWaalsContact C-N 3.34Å; L975-E977 PolarHBondContact O-N 3.08Å; L975-L978 WeakPolarHBondContact O-CB 3.4Å; L975-L978 PolarHBondContact O-N 3.5Å; L975-E979 PolarHBondContact O-N 2.9Å
976	R	69.3	Low	61	Low	171 Å²	171	117.1 Å²	117.1	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-65.7	-35.3	176.8	-74.8	175.7	-177.2	157.8	5.3	112.8	L972 H973 E974 L978 E979 R980	L972-R976 WeakPolarHBondContact O-CG 3.15Å; L972-R976 PolarHBondContact O-N 3.38Å; H973-R976 PolarHBondContact O-N 3.09Å; E974-R976 PolarHBondContact O-N 2.62Å; R976-L978 VanDerWaalsContact C-N 3.31Å; R976-E979 PolarHBondContact O-N 3.39Å; R976-R980 VanDerWaalsContact O-CB 3.31Å; R976-R980 WeakPolarHBondContact O-CB 3.39Å; R976-R980 PolarHBondContact O-N 3.2Å
977	E	65.6	Low	58.9	Low	60 Å²	60	115.1 Å²	115.1	28%	0.28	59%	0.592	S	S	.	*	H	α-helix	trans	-71.5	-28.9	176.3	-156.1	66.1	-128.5	0	0	111.6	H973 E974 L975 R980 Q981	H973-E977 IonicContact CE1-OE2 3.02Å; H973-E977 PolarHBondContact O-N 2.98Å; E974-E977 PolarHBondContact O-N 3.41Å; L975-E977 VanDerWaalsContact C-N 3.34Å; L975-E977 PolarHBondContact O-N 3.08Å; E977-R980 IonicContact OE1-CZ 3.66Å; E977-R980 IonicContact OE1-NE 2.69Å; E977-R980 PolarHBondContact OE1-NE 3.24Å; E977-R980 IonicContact OE1-NH2 2.69Å; E977-R980 PolarHBondContact OE1-NH2 3.21Å; E977-Q981 VanDerWaalsContact O-CG 3.27Å; E977-Q981 WeakPolarHBondContact O-CG 3.46Å; E977-Q981 PolarHBondContact O-N 3.23Å; E977-Q981 VanDerWaalsContact O-N 3.1Å; E977-Q981 PolarHBondContact O-NE2 3.49Å; E977-Q981 VanDerWaalsContact O-NE2 3.13Å
978	L	62.1	Low	56.9	Low	105 Å²	105	116.5 Å²	116.5	55%	0.55	60%	0.602	S	S	.	*	H	α-helix	trans	-69.7	-46.2	170.1	-76.1	162.7	0	0	0	111.9	E974 L975 R976 R980 Q981 N982	E974-L978 WeakPolarHBondContact O-CG 3.4Å; E974-L978 PolarHBondContact O-N 2.87Å; L975-L978 WeakPolarHBondContact O-CB 3.4Å; L975-L978 PolarHBondContact O-N 3.5Å; R976-L978 VanDerWaalsContact C-N 3.31Å; L978-R980 VanDerWaalsContact C-N 3.26Å; L978-R980 PolarHBondContact O-N 2.96Å; L978-Q981 PolarHBondContact O-N 2.94Å; L978-N982 PolarHBondContact O-N 3.24Å
979	E	55.4	Low	55.3	Low	132 Å²	132	118.6 Å²	118.6	62%	0.617	62%	0.616	S	S	*	*	H	α-helix	trans	-56.7	-41.6	171.6	-70	-177.5	121.3	0	0	111.6	L975 R976 Q981 N982 T983	L975-E979 PolarHBondContact O-N 2.9Å; R976-E979 PolarHBondContact O-N 3.39Å; E979-Q981 VanDerWaalsContact C-N 3.25Å; E979-Q981 PolarHBondContact O-N 2.97Å; E979-N982 PolarHBondContact O-N 3.47Å; E979-T983 PolarHBondContact O-N 2.85Å; E979-T983 PolarHBondContact O-OG1 3.33Å
980	R	55.8	Low	53.5	Low	152 Å²	152	121.2 Å²	121.2	57%	0.574	63%	0.629	S	S	*	*	H	α-helix	trans	-71.1	-16.5	177.8	-151.2	-175.5	71.5	74.9	2.7	113.8	R976 E977 L978 T983 V984	R976-R980 VanDerWaalsContact O-CB 3.31Å; R976-R980 WeakPolarHBondContact O-CB 3.39Å; R976-R980 PolarHBondContact O-N 3.2Å; E977-R980 IonicContact OE1-CZ 3.66Å; E977-R980 IonicContact OE1-NE 2.69Å; E977-R980 PolarHBondContact OE1-NE 3.24Å; E977-R980 IonicContact OE1-NH2 2.69Å; E977-R980 PolarHBondContact OE1-NH2 3.21Å; L978-R980 VanDerWaalsContact C-N 3.26Å; L978-R980 PolarHBondContact O-N 2.96Å; R980-T983 WeakPolarHBondContact CA-OG1 3.41Å; R980-T983 PolarHBondContact O-OG1 3.28Å; R980-V984 WeakPolarHBondContact O-CG2 3.27Å
981	Q	50.8	Low	51.2	Low	121 Å²	121	123.5 Å²	123.5	57%	0.565	64%	0.642	S	S	*	*	H	α-helix	trans	-90	-36.3	170.7	-76.2	171.4	64	0	0	112.1	E977 L978 E979 T983 V984	E977-Q981 VanDerWaalsContact O-CG 3.27Å; E977-Q981 WeakPolarHBondContact O-CG 3.46Å; E977-Q981 PolarHBondContact O-N 3.23Å; E977-Q981 VanDerWaalsContact O-N 3.1Å; E977-Q981 PolarHBondContact O-NE2 3.49Å; E977-Q981 VanDerWaalsContact O-NE2 3.13Å; L978-Q981 PolarHBondContact O-N 2.94Å; E979-Q981 VanDerWaalsContact C-N 3.25Å; E979-Q981 PolarHBondContact O-N 2.97Å; Q981-T983 VanDerWaalsContact C-N 3.27Å; Q981-T983 PolarHBondContact O-N 2.87Å; Q981-V984 PolarHBondContact O-N 3.26Å
982	N	43.7	Very low	49.5	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	67%	0.668	S	S	*	*	H	α-helix	trans	-66.7	-28.8	178.6	-121.4	-7.6	0	0	0	112.6	L978 E979 V984	L978-N982 PolarHBondContact O-N 3.24Å; E979-N982 PolarHBondContact O-N 3.47Å; N982-V984 VanDerWaalsContact C-N 3.28Å; N982-V984 PolarHBondContact O-N 3.34Å
983	T	41.6	Very low	47.5	Very low	112 Å²	112	131.4 Å²	131.4	69%	0.687	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-0.8	-179.8	39.6	0	0	0	0	115.5	E979 R980 Q981	E979-T983 PolarHBondContact O-N 2.85Å; E979-T983 PolarHBondContact O-OG1 3.33Å; R980-T983 WeakPolarHBondContact CA-OG1 3.41Å; R980-T983 PolarHBondContact O-OG1 3.28Å; Q981-T983 VanDerWaalsContact C-N 3.27Å; Q981-T983 PolarHBondContact O-N 2.87Å
984	V	41.3	Very low	45.4	Very low	107 Å²	107	131.7 Å²	131.7	65%	0.648	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-2.5	-170.5	179.1	0	0	0	0	114	R980 Q981 N982 Q986	R980-V984 WeakPolarHBondContact O-CG2 3.27Å; Q981-V984 PolarHBondContact O-N 3.26Å; N982-V984 VanDerWaalsContact C-N 3.28Å; N982-V984 PolarHBondContact O-N 3.34Å; V984-Q986 PolarHBondContact O-N 3.17Å
985	K	38.8	Very low	43.3	Very low	200 Å²	200	133.5 Å²	133.5	87%	0.87	70%	0.701	S	S	*	*			trans	-100.9	60.6	-179.9	-73.9	-175.6	178.7	172.5	0	114.5
986	Q	33.9	Very low	41.8	Very low	192 Å²	192	136 Å²	136	90%	0.897	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-84.4	118.5	152.7	-84.6	-173	-27.8	0	0	109.5	V984	V984-Q986 PolarHBondContact O-N 3.17Å
987	A	31.4	Very low	40	Very low	92 Å²	92	133.9 Å²	133.9	76%	0.76	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-77.9	153	168.3	0	0	0	0	0	110.1
988	P	35.6	Very low	38.3	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-77.6	149	-164	30.5	-36.3	0	0	0	114.2
989	D	32.5	Very low	36.8	Very low	160 Å²	160	140 Å²	140	86%	0.856	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.1	135.7	172.1	-151.7	-11.1	0	0	0	111.1
990	V	33.4	Very low	35.4	Very low	124 Å²	124	141.2 Å²	141.2	75%	0.752	76%	0.755	S	S	*	*			trans	-117.3	105	179.9	178.8	0	0	0	0	109.3	L992	V990-L992 PolarHBondContact O-N 3.29Å
991	V	30.8	Very low	34.4	Very low	121 Å²	121	139.3 Å²	139.3	73%	0.733	76%	0.763	S	S	*	*			trans	-61.3	118	-176	177.4	0	0	0	0	111.5	D993	V991-D993 HydrophobicContact CG1-CB 4.11Å
992	L	30.8	Very low	34.3	Very low	174 Å²	174	139.5 Å²	139.5	91%	0.911	77%	0.774	S	S	*	*			trans	-122.9	77.4	156.1	-90.9	173	0	0	0	109	V990	V990-L992 PolarHBondContact O-N 3.29Å
993	D	31.1	Very low	33.4	Very low	128 Å²	128	136 Å²	136	68%	0.684	77%	0.774	S	S	*	*			trans	-109.5	116.3	170.8	-175.9	5.8	0	0	0	109.8	V991	V991-D993 HydrophobicContact CG1-CB 4.11Å
994	T	32.9	Very low	33.5	Very low	125 Å²	125	136.1 Å²	136.1	77%	0.767	78%	0.776	S	S	*	*			trans	-161.1	127.8	150.8	1.3	0	0	0	0	110.1
995	L	29.9	Very low	32.9	Very low	161 Å²	161	138.4 Å²	138.4	84%	0.843	78%	0.783	S	S	*	*			trans	102.2	79	168	-53.5	177.6	0	0	0	117.6
996	E	31.8	Very low	32.3	Very low	156 Å²	156	133.6 Å²	133.6	73%	0.729	77%	0.774	S	S	*	*			trans	-60.1	155.5	140.5	-68.3	-158.1	136.9	0	0	110.6
997	P	31.3	Very low	31.9	Very low	125 Å²	125	129.5 Å²	129.5	81%	0.812	77%	0.767	S	S	*	*				-139.4	119	99.2	34.1	-19.9	0	0	0	115.6
998	L	30.1	Very low	31.7	Very low	120 Å²	120	133.8 Å²	133.8	63%	0.628	77%	0.771	S	S	*	*			trans	7.6	122.3	144.7	-145.2	76.3	0	0	0	120.9
999	K	29.2	Very low	32.5	Very low	173 Å²	173	133.4 Å²	133.4	75%	0.752	77%	0.769	S	S	*	*			trans	55.2	132.6	145.9	-74.3	174.1	-179.6	172.8	0	121.6
1000	N	26.7	Very low	32.2	Very low	158 Å²	158	130.3 Å²	130.3	85%	0.845	77%	0.766	S	S	*	*				-169.2	154	111.9	-96.7	-31	0	0	0	114.1
1001	P	35.2	Very low	32.1	Very low	112 Å²	112	130 Å²	130	73%	0.727	77%	0.769	S	S	*	*			trans	-102.7	-162.4	170	45.5	-37.1	0	0	0	110.8
1002	P	47.9	Very low	32.8	Very low	125 Å²	125	129.5 Å²	129.5	81%	0.812	77%	0.768	S	S	*	*				-125.1	141.7	-103.9	31	-10.1	0	0	0	118.1
1003	G	26	Very low	32.8	Very low	75 Å²	75	127.9 Å²	127.9	77%	0.773	76%	0.76	S	S	*	*			trans	77.5	-179.8	164.9	0	0	0	0	0	116.7
1004	P	43.3	Very low	32.7	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	76%	0.762	S	S	*	*			cis	-141.4	178	-8.8	44.1	-27.3	0	0	0	116.5
1005	I	27.9	Very low	32.5	Very low	154 Å²	154	127.7 Å²	127.7	79%	0.79	75%	0.752	S	S	*	*			trans	78.9	137.8	146.8	-75.2	160.1	0	0	0	123.1
1006	S	25.6	Very low	32.5	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	75%	0.75	S	S	*	*			trans	72	122	151.4	68.6	0	0	0	0	126.3
1007	S	26.7	Very low	32.4	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	75%	0.746	S	S	*	*				67.2	119.2	128.7	65.9	0	0	0	0	124.4
1008	E	27.1	Very low	32.4	Very low	181 Å²	181	126.3 Å²	126.3	85%	0.846	74%	0.744	S	S	*	*				6.6	165.9	120.9	-88	-164.8	161.3	0	0	122.1
1009	P	51.3	Low	32.3	Very low	110 Å²	110	131.8 Å²	131.8	71%	0.714	76%	0.756	S	S	*	*			cis	-136	-179.3	-17.7	36.5	-18.6	0	0	0	113.8
1010	A	26	Very low	32.4	Very low	95 Å²	95	130.1 Å²	130.1	79%	0.785	76%	0.756	S	S	*	*			trans	168.3	141	130.6	0	0	0	0	0	114.3
1011	S	32.8	Very low	33.7	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	75%	0.746	S	S	*	*			trans	-118.8	166.4	151.5	-54.8	0	0	0	0	108.5
1012	P	45.8	Very low	33.5	Very low	111 Å²	111	129.2 Å²	129.2	72%	0.721	75%	0.75	S	S	*	*				-151.8	135.6	119.8	32.9	-14.4	0	0	0	117.1
1013	L	30.9	Very low	32.6	Very low	141 Å²	141	127.5 Å²	127.5	74%	0.738	75%	0.747	S	S	*	*			trans	65.7	157.3	134.7	-58.2	173.8	0	0	0	119.1
1014	H	27.9	Very low	32.8	Very low	158 Å²	158	128.6 Å²	128.6	73%	0.731	75%	0.748	S	S	*	*			cis	-124.8	154	6.7	-100.4	-36.8	0	0	0	110.6
1015	T	29.3	Very low	32.1	Very low	90 Å²	90	130.3 Å²	130.3	55%	0.552	75%	0.748	S	S	*	*				71.1	140.6	52.5	-38.9	0	0	0	0	110.6
1016	I	30.5	Very low	32.4	Very low	158 Å²	158	133.8 Å²	133.8	81%	0.81	75%	0.751	S	S	*	*			cis	-126.8	-154.1	34.3	-157.5	144.6	0	0	0	114.6
1017	V	29.4	Very low	32.6	Very low	106 Å²	106	140 Å²	140	64%	0.642	76%	0.76	S	S	*	*			trans	-146.5	162.9	-144.1	66.3	0	0	0	0	115.5
1018	I	29.9	Very low	32.7	Very low	150 Å²	150	139.8 Å²	139.8	77%	0.769	76%	0.758	S	S	*	*				122.5	103	128.4	-49.3	156.7	0	0	0	120.8
1019	R	27.8	Very low	32.6	Very low	234 Å²	234	136.8 Å²	136.8	88%	0.883	76%	0.757	S	S	*	*				165.2	112.3	117.2	-89.9	-163.9	167.2	123.1	4.7	117.3
1020	D	33.1	Very low	31.5	Very low	139 Å²	139	137 Å²	137	74%	0.743	76%	0.761	S	S	*	*			trans	-90	158	140.6	-166.1	12.3	0	0	0	108
1021	P	53.2	Low	31.8	Very low	99 Å²	99	136.8 Å²	136.8	64%	0.643	75%	0.754	S	S	*	*				-146.9	167.9	91.4	40.7	-23.4	0	0	0	114
1022	D	30.5	Very low	31.7	Very low	152 Å²	152	136 Å²	136	81%	0.813	75%	0.748	S	S	*	*				-168.4	-179.4	55.3	-143.2	-33.2	0	0	0	113.1
1023	A	29.1	Very low	31	Very low	89 Å²	89	136.6 Å²	136.6	74%	0.736	75%	0.75	S	S	*	*			trans	-137.1	175.6	-157.7	0	0	0	0	0	118.8
1024	A	29.8	Very low	31.2	Very low	97 Å²	97	138.4 Å²	138.4	80%	0.802	76%	0.755	S	S	*	*			trans	86.1	157.1	165	0	0	0	0	0	117.2
1025	M	30.1	Very low	31.3	Very low	150 Å²	150	139.1 Å²	139.1	74%	0.739	76%	0.761	S	S	*	*			cis	-157.6	119.4	17.6	-166.2	161.4	58.8	0	0	117
1026	R	34.1	Very low	31.2	Very low	227 Å²	227	142.7 Å²	142.7	86%	0.857	77%	0.773	S	S	*	*			trans	60.9	159.3	151.5	-60.7	171.7	-170.6	-155.6	-0.5	116.9
1027	R	30	Very low	31.1	Very low	231 Å²	231	140.9 Å²	140.9	87%	0.872	77%	0.769	S	S	*	*			cis	-132	171.4	3.9	-73.4	-176.1	179	-125.6	4.7	107.1
1028	S	27.9	Very low	31.1	Very low	101 Å²	101	141 Å²	141	71%	0.706	77%	0.77	S	S	*	*			cis	-172.3	167.6	-13.7	-94.2	0	0	0	0	104.8
1029	S	26.3	Very low	30.9	Very low	119 Å²	119	142 Å²	142	83%	0.832	77%	0.77	S	S	*	*			cis	-159.4	-176.1	3.3	21.2	0	0	0	0	108.9
1030	S	28.2	Very low	31	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	76%	0.764	S	S	*	*			trans	-141.4	-173.4	-173.6	72.2	0	0	0	0	110.7
1031	S	31.8	Very low	31.5	Very low	89 Å²	89	138.1 Å²	138.1	62%	0.622	76%	0.764	S	S	*	*			cis	-163.5	164.7	0.5	50.3	0	0	0	0	110.2
1032	S	29.7	Very low	30.4	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	77%	0.771	S	S	*	*			trans	49.6	174.1	135.2	76.3	0	0	0	0	120.8
1033	T	31.3	Very low	30.4	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	77%	0.772	S	S	*	*			cis	-155.4	161.4	2.6	-21.5	0	0	0	0	108.9
1034	E	36.1	Very low	30.5	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	77%	0.77	S	S	*	*			trans	-93.9	149.6	168.2	-66.1	-169.7	120	0	0	113.4
1035	M	29.7	Very low	30.5	Very low	173 Å²	173	138.3 Å²	138.3	85%	0.852	77%	0.766	S	S	*	*			trans	-176	123.2	145.6	-109.3	174.9	-75.9	0	0	115.6
1036	M	27.9	Very low	30.6	Very low	164 Å²	164	141.4 Å²	141.4	81%	0.808	77%	0.769	S	S	*	*			trans	56.9	128.5	133	-68.9	-66.5	178.1	0	0	125.3
1037	T	26.7	Very low	30.4	Very low	120 Å²	120	137.2 Å²	137.2	74%	0.736	76%	0.763	S	S	*	*			trans	88.3	104.1	137.9	54.6	0	0	0	0	125.5
1038	T	31.1	Very low	30.4	Very low	109 Å²	109	130.9 Å²	130.9	67%	0.669	76%	0.76	S	S	*	*				60.6	118.5	116.3	-43.1	0	0	0	0	123.6
1039	F	25.6	Very low	30.4	Very low	172 Å²	172	129.9 Å²	129.9	75%	0.754	77%	0.766	S	S	*	*				173.2	134.1	115	-105.6	-65.2	0	0	0	118
1040	K	29	Very low	30.7	Very low	177 Å²	177	129 Å²	129	77%	0.77	77%	0.766	S	S	*	*			trans	68.2	169	146.5	-91.7	163.5	-177.5	173.5	0	119.4
1041	P	43.5	Very low	30.7	Very low	114 Å²	114	132 Å²	132	74%	0.74	77%	0.767	S	S	*	*				-142.8	155.8	-69.9	39.1	-18.7	0	0	0	118.5
1042	A	30.8	Very low	30.6	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	78%	0.778	S	S	*	*			trans	41	136.9	139.6	0	0	0	0	0	124.8
1043	L	29.1	Very low	30.6	Very low	161 Å²	161	142.1 Å²	142.1	84%	0.843	79%	0.787	S	S	*	*				-157.5	116.3	121.6	-92.7	177.8	0	0	0	107.8
1044	S	31.7	Very low	31.6	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	79%	0.786	S	S	*	*				70.8	134.9	92.5	-77.6	0	0	0	0	114.5
1045	A	30.5	Very low	32.5	Very low	87 Å²	87	138.4 Å²	138.4	72%	0.719	78%	0.781	S	S	*	*			cis	-169.7	172.4	10.7	0	0	0	0	0	109.2
1046	R	32.6	Very low	33.3	Very low	216 Å²	216	136 Å²	136	82%	0.815	78%	0.778	S	S	*	*			cis	-176.7	173.9	-13.7	-97.1	176.1	177.5	-171	-0.9	106
1047	L	29.1	Very low	33.4	Very low	138 Å²	138	135.1 Å²	135.1	72%	0.723	77%	0.774	S	S	*	*			cis	-162	137.7	-1.2	-126.2	170.8	0	0	0	109.8
1048	A	29.4	Very low	33.7	Very low	99 Å²	99	139.9 Å²	139.9	82%	0.818	78%	0.779	S	S	*	*			trans	55.1	156.8	149.3	0	0	0	0	0	122
1049	G	28.7	Very low	34.2	Very low	79 Å²	79	140.2 Å²	140.2	81%	0.814	78%	0.782	S	S	*	*			cis	-173.4	170.6	-1.1	0	0	0	0	0	112.6
1050	A	33.6	Very low	34.3	Very low	101 Å²	101	138.2 Å²	138.2	84%	0.835	78%	0.784	S	S	*	*			trans	-110.4	163.3	-168.3	0	0	0	0	0	115.1
1051	Q	27.8	Very low	34.5	Very low	177 Å²	177	140.1 Å²	140.1	83%	0.827	79%	0.786	S	S	*	*			trans	-166.9	-176.8	159.6	-103.2	-54.5	-20	0	0	112.7
1052	L	29.4	Very low	34.3	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	79%	0.787	S	S	*	*			trans	-101.2	176.6	-160.2	-66.2	160.2	0	0	0	118
1053	R	28.4	Very low	34.2	Very low	239 Å²	239	140.9 Å²	140.9	90%	0.902	78%	0.781	S	S	*	*			trans	-57.2	174.5	172.4	-84.7	178.8	169.5	169.1	-3.5	115.1
1054	P	52.9	Low	34.2	Very low	112 Å²	112	138.5 Å²	138.5	73%	0.727	77%	0.773	S	S	*	*			cis	-129.1	-134.9	-35.3	37.7	-16.9	0	0	0	110
1055	P	55.8	Low	34.2	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	78%	0.775	S	S	*	*				-97.9	-136.6	-63.1	39.2	-22.2	0	0	0	111
1056	P	46.4	Very low	34.3	Very low	121 Å²	121	143 Å²	143	79%	0.786	77%	0.768	S	S	*	*			cis	-130.2	-93.1	-13.3	35.1	-10.6	0	0	0	118.7
1057	M	29.4	Very low	34.2	Very low	147 Å²	147	142.1 Å²	142.1	72%	0.724	77%	0.765	S	S	*	*			trans	-146.2	145.6	-157	-63.6	-165.9	75.1	0	0	118.9
1058	R	32.5	Very low	34.4	Very low	220 Å²	220	140.5 Å²	140.5	83%	0.83	77%	0.765	S	S	*	*			trans	60.3	160.5	149.9	-81.1	-176.6	179.7	175.5	1.7	118.5
1059	P	42.8	Very low	34.5	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	76%	0.76	S	S	*	*			cis	-146.1	168.7	30.2	43.6	-22.9	0	0	0	121.1
1060	V	27.9	Very low	34.8	Very low	130 Å²	130	142.1 Å²	142.1	79%	0.788	76%	0.758	S	S	*	*			trans	26.7	127.3	139.4	-169.9	0	0	0	0	124.2
1061	R	31.4	Very low	34.7	Very low	217 Å²	217	142.1 Å²	142.1	82%	0.819	75%	0.752	S	S	*	*			trans	7.6	150.4	137.6	-88.6	-178.7	-174.2	177.3	2.7	121.4	V1063	R1061-V1063 HydrophobicContact CG-CG2 4.38Å
1062	P	39.9	Very low	35	Very low	117 Å²	117	138.8 Å²	138.8	76%	0.76	75%	0.748	S	S	*	*				-137	160.3	59.9	33.1	-12.5	0	0	0	117.2
1063	V	28.3	Very low	35.1	Very low	107 Å²	107	136.4 Å²	136.4	65%	0.648	75%	0.745	S	S	*	*				60.9	121.3	67.9	-148.1	0	0	0	0	112.8	R1061	R1061-V1063 HydrophobicContact CG-CG2 4.38Å
1064	V	30.2	Very low	35.5	Very low	111 Å²	111	130.5 Å²	130.5	67%	0.673	74%	0.741	S	S	*	*				177.6	129.7	90.6	154.7	0	0	0	0	113.2
1065	Q	31.6	Very low	34.6	Very low	157 Å²	157	128.3 Å²	128.3	73%	0.734	74%	0.738	S	S	*	*			trans	58.6	160.3	151.4	-69.2	172.4	6.3	0	0	120.4
1066	H	31.4	Very low	33.4	Very low	124 Å²	124	130.6 Å²	130.6	57%	0.574	75%	0.75	S	S	*	*			cis	-165.2	177.2	-6.9	-108.1	-25.4	0	0	0	107.1
1067	R	31.9	Very low	32.5	Very low	197 Å²	197	128.4 Å²	128.4	74%	0.743	75%	0.749	S	S	*	*			cis	-163.3	166.9	-2.1	-118.6	171.5	-149.8	-165.7	7	107.1
1068	S	32.5	Very low	32.7	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	76%	0.755	S	S	*	*			cis	-117.3	-100.1	-6.8	-78	0	0	0	0	109.4
1069	S	31.5	Very low	33.8	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	76%	0.755	S	S	*	*			cis	-176.8	149.4	-29.8	23.3	0	0	0	0	107.2
1070	S	34.8	Very low	33.3	Very low	110 Å²	110	121.5 Å²	121.5	77%	0.769	75%	0.754	S	S	*	*			cis	177.5	144.3	-19.9	44.3	0	0	0	0	107.5
1071	S	32.8	Very low	33.4	Very low	101 Å²	101	121 Å²	121	71%	0.706	75%	0.751	S	S	*	*			cis	-173.4	-176	-6	53.1	0	0	0	0	110.1
1072	S	33	Very low	33.5	Very low	106 Å²	106	116.6 Å²	116.6	74%	0.741	75%	0.749	S	S	*	*			trans	69.5	142.3	154.2	36.7	0	0	0	0	120.1
1073	S	31.6	Very low	34.1	Very low	112 Å²	112	116.1 Å²	116.1	78%	0.783	75%	0.746	S	S	*	*			cis	-165.4	166.4	-7.4	46.7	0	0	0	0	114.5
1074	S	37.5	Very low	34.2	Very low	116 Å²	116	116.4 Å²	116.4	81%	0.811	75%	0.748	S	S	*	*			trans	-57.5	173.6	170.2	48.7	0	0	0	0	116.4
1075	G	32.3	Very low	34.1	Very low	66 Å²	66	118.1 Å²	118.1	68%	0.68	75%	0.748	S	S	*	*			cis	127.9	141.4	-1.2	0	0	0	0	0	115
1076	V	32.3	Very low	34.1	Very low	162 Å²	162	117.5 Å²	117.5	98%	0.982	74%	0.743	S	S	*	*			trans	-177.5	156	166.1	-86.6	0	0	0	0	109.1
1077	G	26.8	Very low	33.9	Very low	76 Å²	76	119.6 Å²	119.6	78%	0.784	76%	0.755	S	S	*	*			cis	177.1	154	-7.5	0	0	0	0	0	111.9
1078	S	34.7	Very low	34	Very low	121 Å²	121	119.2 Å²	119.2	85%	0.846	76%	0.76	S	S	*	*			trans	-102.6	172	176.7	-45	0	0	0	0	112.3
1079	P	55.4	Low	34.9	Very low	126 Å²	126	120.3 Å²	120.3	82%	0.818	76%	0.764	S	S	*	*				-135.2	-179	70.6	37.5	-19.2	0	0	0	112.6
1080	A	31.1	Very low	34.8	Very low	90 Å²	90	122.1 Å²	122.1	74%	0.744	77%	0.766	S	S	*	*			cis	-172.1	175.3	35.8	0	0	0	0	0	109.5
1081	V	30.6	Very low	34.6	Very low	118 Å²	118	121.8 Å²	121.8	72%	0.715	76%	0.764	S	S	*	*			cis	-165.6	118.4	-15.3	118.6	0	0	0	0	112.2
1082	T	34.2	Very low	34.5	Very low	125 Å²	125	122.6 Å²	122.6	77%	0.767	77%	0.769	S	S	*	*			trans	72.2	179.8	151	78.7	0	0	0	0	119.4
1083	P	51.4	Low	34.3	Very low	108 Å²	108	121.8 Å²	121.8	70%	0.701	77%	0.769	S	S	*	*				-126.7	-164.8	-119.8	27	2.7	0	0	0	113.1
1084	T	31.3	Very low	34.4	Very low	112 Å²	112	122.7 Å²	122.7	69%	0.687	77%	0.765	S	S	*	*				-177.8	146.3	59.2	34.1	0	0	0	0	113.7
1085	E	28.3	Very low	34.2	Very low	147 Å²	147	124.9 Å²	124.9	69%	0.687	76%	0.76	S	S	*	*			trans	58.2	162	143.8	-61.6	-156.6	165.5	0	0	120.2
1086	K	30.1	Very low	34.3	Very low	144 Å²	144	127.4 Å²	127.4	63%	0.626	77%	0.767	S	S	*	*			cis	-161	154.2	-27.8	-109.5	178.3	-168.2	143.8	0	109
1087	M	28.2	Very low	34.2	Very low	169 Å²	169	123.2 Å²	123.2	83%	0.833	76%	0.757	S	S	*	*			trans	47.8	118.4	146.6	-62.8	179.8	67.1	0	0	121.9
1088	F	34.3	Very low	34.7	Very low	189 Å²	189	126.2 Å²	126.2	83%	0.829	76%	0.76	S	S	*	*			trans	-49.2	155.2	144.3	-82.1	-80.2	0	0	0	112.3
1089	P	50.3	Low	34.8	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	78%	0.781	S	S	*	*				-152.8	-171.5	63.5	43.7	-22.4	0	0	0	118.8
1090	N	29.6	Very low	33.8	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	78%	0.779	S	S	*	*			trans	-59.6	154.9	-172.2	-75.6	-11.9	0	0	0	118.8
1091	S	29.9	Very low	33.9	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	78%	0.781	S	S	*	*				83.9	132.7	129.8	62.4	0	0	0	0	123.5
1092	S	30.9	Very low	34.1	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	79%	0.785	S	S	*	*			trans	91.8	152.2	139.9	78.4	0	0	0	0	120.3
1093	A	30.7	Very low	34.1	Very low	89 Å²	89	137.2 Å²	137.2	74%	0.736	79%	0.786	S	S	*	*			trans	72.8	75.1	162.4	0	0	0	0	0	120
1094	D	32.5	Very low	33	Very low	131 Å²	131	139 Å²	139	70%	0.701	79%	0.791	S	S	*	*				63	150.9	103.1	-157.2	23.6	0	0	0	122.1
1095	K	33.8	Very low	33.1	Very low	162 Å²	162	140.8 Å²	140.8	70%	0.704	80%	0.798	S	S	*	*			trans	72.9	95.5	161.7	-78.9	170.8	-177.1	88.1	0	122.3
1096	S	34.5	Very low	33.5	Very low	119 Å²	119	140.4 Å²	140.4	83%	0.832	81%	0.806	S	S	*	*				68	125.1	115.2	69.2	0	0	0	0	122
1097	G	30.4	Very low	33.7	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	82%	0.82	S	S	*	*			trans	-170.6	109	160.3	0	0	0	0	0	111.5
1098	T	35.8	Very low	34.2	Very low	138 Å²	138	137.7 Å²	137.7	85%	0.847	82%	0.819	S	S	*	*			trans	-32.1	147.1	175.2	46.9	0	0	0	0	116.4
1099	M	37.3	Very low	34.2	Very low	262 Å²	262	133 Å²	133	100%	1.291	82%	0.818	S	S	*	*			cis	-118	0	18	-65.4	-178.3	179	0	0	113.7

Retrieved 1,099 of 1,099 residues in 289.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).