A0A077ZIS9_TRITR Loading...

Fibrinogen C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 612 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	45.3	Very low	201 Å²	201	94.6 Å²	94.6	99%	0.99	49%	0.49	S	S	*	.				0	-58.3	0	-119.7	-175.9	150.2	0	0	112.5	I3 R4 T5	M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.29Å; M1-R4 WeakPolarHBondContact O-CB 3.44Å; M1-R4 PolarHBondContact O-N 2.98Å; M1-T5 PolarHBondContact O-N 2.88Å; M1-T5 PolarHBondContact O-OG1 2.81Å
2	V	39.6	Very low	45.7	Very low	106 Å²	106	95.3 Å²	95.3	64%	0.642	49%	0.494	S	S	*	.	H	α-helix	trans	-51.1	-44.6	-178.2	179.8	0	0	0	0	113.6	R4 T5 I6	V2-R4 PolarHBondContact O-N 3.31Å; V2-T5 PolarHBondContact O-N 3.19Å; V2-I6 HydrophobicContact CG1-CD1 3.71Å; V2-I6 HydrophobicContact CG1-CG1 4.34Å; V2-I6 VanDerWaalsContact O-CG1 3.3Å; V2-I6 WeakPolarHBondContact O-CG1 3.34Å; V2-I6 PolarHBondContact O-N 2.97Å
3	I	41.6	Very low	46.1	Very low	106 Å²	106	93.2 Å²	93.2	54%	0.544	49%	0.491	S	S	.	.	H	α-helix	trans	-60.9	-43.8	177.5	-61	174	0	0	0	111.7	M1 I6 F7	M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.29Å; I3-I6 PolarHBondContact O-N 3.28Å; I3-F7 VanDerWaalsContact O-CB 3.29Å; I3-F7 WeakPolarHBondContact O-CB 3.22Å; I3-F7 PolarHBondContact O-N 3.02Å
4	R	41.9	Very low	46.4	Very low	158 Å²	158	87.8 Å²	87.8	60%	0.596	46%	0.462	S	S	*	.	H	α-helix	trans	-63.6	-42.1	176.5	-82.7	-175.6	168.9	166.1	-3	111.4	M1 V2 F7 V8	M1-R4 WeakPolarHBondContact O-CB 3.44Å; M1-R4 PolarHBondContact O-N 2.98Å; V2-R4 PolarHBondContact O-N 3.31Å; R4-F7 PolarHBondContact O-N 3.12Å; R4-V8 WeakPolarHBondContact O-CG2 3.46Å; R4-V8 PolarHBondContact O-N 3.12Å
5	T	42.4	Very low	46.7	Very low	77 Å²	77	89.4 Å²	89.4	47%	0.472	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-46	179	-44.6	0	0	0	0	111.5	M1 V2 F7 V8 I9	M1-T5 PolarHBondContact O-N 2.88Å; M1-T5 PolarHBondContact O-OG1 2.81Å; V2-T5 PolarHBondContact O-N 3.19Å; T5-F7 VanDerWaalsContact C-N 3.26Å; T5-F7 PolarHBondContact O-N 3.46Å; T5-V8 PolarHBondContact O-N 3.45Å; T5-I9 HydrophobicContact CG2-CD1 4.06Å; T5-I9 WeakPolarHBondContact O-CB 3.34Å; T5-I9 WeakPolarHBondContact O-CD1 3.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.11Å; T5-I9 PolarHBondContact O-N 2.83Å
6	I	45.9	Very low	47.1	Very low	98 Å²	98	91.4 Å²	91.4	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-59.2	-41.4	175.1	-67.4	169.8	0	0	0	110.3	V2 I3 I9 C10	V2-I6 HydrophobicContact CG1-CD1 3.71Å; V2-I6 HydrophobicContact CG1-CG1 4.34Å; V2-I6 VanDerWaalsContact O-CG1 3.3Å; V2-I6 WeakPolarHBondContact O-CG1 3.34Å; V2-I6 PolarHBondContact O-N 2.97Å; I3-I6 PolarHBondContact O-N 3.28Å; I6-I9 PolarHBondContact O-N 3.07Å; I6-C10 PolarHBondContact O-N 3.09Å; I6-C10 PolarHBondContact O-SG 3.46Å
7	F	46.1	Very low	47.3	Very low	36 Å²	36	88.3 Å²	88.3	16%	0.158	46%	0.462	C	S	.	.	H	α-helix	trans	-67	-45.2	-178.9	-160.2	-102.6	0	0	0	113.2	I3 R4 T5 I9 C10 I11 E189 R236	I3-F7 VanDerWaalsContact O-CB 3.29Å; I3-F7 WeakPolarHBondContact O-CB 3.22Å; I3-F7 PolarHBondContact O-N 3.02Å; R4-F7 PolarHBondContact O-N 3.12Å; T5-F7 VanDerWaalsContact C-N 3.26Å; T5-F7 PolarHBondContact O-N 3.46Å; F7-I9 VanDerWaalsContact C-N 3.3Å; F7-I9 PolarHBondContact O-N 2.88Å; F7-C10 WeakPolarHBondContact O-CB 3.38Å; F7-C10 PolarHBondContact O-N 2.98Å; F7-C10 VanDerWaalsContact O-N 3.17Å; F7-I11 HydrophobicContact CD1-CD1 3.68Å; F7-I11 HydrophobicContact CD1-CG1 4.48Å; F7-I11 HydrophobicContact CE1-CD1 3.56Å; F7-I11 HydrophobicContact CE1-CG1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 4.48Å; F7-I11 PolarHBondContact O-N 2.68Å; F7-E189 HydrophobicContact CZ-CG 4.45Å; F7-R236 HydrophobicContact CE2-CG 4.01Å
8	V	50.6	Low	47.3	Very low	81 Å²	81	85.4 Å²	85.4	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-39.6	174.8	172.4	0	0	0	0	111	R4 T5 I11 L12	R4-V8 WeakPolarHBondContact O-CG2 3.46Å; R4-V8 PolarHBondContact O-N 3.12Å; T5-V8 PolarHBondContact O-N 3.45Å; V8-I11 PolarHBondContact O-N 3.26Å; V8-L12 HydrophobicContact CG1-CD1 3.91Å; V8-L12 HydrophobicContact CG1-CG 4.38Å; V8-L12 WeakPolarHBondContact O-CB 3.21Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 2.76Å
9	I	50.4	Low	47.6	Very low	94 Å²	94	83.6 Å²	83.6	48%	0.482	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-43.1	174.5	-67.7	166.2	0	0	0	110.3	T5 I6 F7 I11 L12 C13	T5-I9 HydrophobicContact CG2-CD1 4.06Å; T5-I9 WeakPolarHBondContact O-CB 3.34Å; T5-I9 WeakPolarHBondContact O-CD1 3.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.11Å; T5-I9 PolarHBondContact O-N 2.83Å; I6-I9 PolarHBondContact O-N 3.07Å; F7-I9 VanDerWaalsContact C-N 3.3Å; F7-I9 PolarHBondContact O-N 2.88Å; I9-I11 PolarHBondContact O-N 2.95Å; I9-L12 PolarHBondContact O-N 2.95Å; I9-C13 WeakPolarHBondContact O-CB 3.23Å; I9-C13 PolarHBondContact O-N 2.98Å; I9-C13 PolarHBondContact O-SG 2.78Å
10	C	48.5	Very low	47.8	Very low	47 Å²	47	82.4 Å²	82.4	32%	0.318	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-45.2	175.6	-73.2	0	0	0	0	112.3	I6 F7 C13 L14	I6-C10 PolarHBondContact O-N 3.09Å; I6-C10 PolarHBondContact O-SG 3.46Å; F7-C10 WeakPolarHBondContact O-CB 3.38Å; F7-C10 PolarHBondContact O-N 2.98Å; F7-C10 VanDerWaalsContact O-N 3.17Å; C10-C13 PolarHBondContact O-N 2.96Å; C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 PolarHBondContact O-N 3.45Å
11	I	50.3	Low	47.8	Very low	37 Å²	37	80.9 Å²	80.9	19%	0.19	43%	0.434	C	S	.	.	H	α-helix	trans	-64.6	-46.3	177.9	-67.5	164	0	0	0	111.3	F7 V8 I9 C13 L14 H15	F7-I11 HydrophobicContact CD1-CD1 3.68Å; F7-I11 HydrophobicContact CD1-CG1 4.48Å; F7-I11 HydrophobicContact CE1-CD1 3.56Å; F7-I11 HydrophobicContact CE1-CG1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 4.48Å; F7-I11 PolarHBondContact O-N 2.68Å; V8-I11 PolarHBondContact O-N 3.26Å; I9-I11 PolarHBondContact O-N 2.95Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.71Å; I11-L14 VanDerWaalsContact O-CB 3.3Å; I11-L14 WeakPolarHBondContact O-CB 3.49Å; I11-L14 PolarHBondContact O-N 2.79Å; I11-L14 VanDerWaalsContact O-N 3.14Å; I11-H15 PolarHBondContact O-N 2.65Å
12	L	50.1	Low	48.3	Very low	103 Å²	103	77.9 Å²	77.9	54%	0.539	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-42.4	177.7	-74.3	171.6	0	0	0	111.1	V8 I9 L14 H15 M16	V8-L12 HydrophobicContact CG1-CD1 3.91Å; V8-L12 HydrophobicContact CG1-CG 4.38Å; V8-L12 WeakPolarHBondContact O-CB 3.21Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 2.76Å; I9-L12 PolarHBondContact O-N 2.95Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 3.47Å; L12-H15 PolarHBondContact O-N 3.29Å; L12-M16 VanDerWaalsContact O-CB 3.24Å; L12-M16 WeakPolarHBondContact O-CB 3.27Å; L12-M16 VanDerWaalsContact O-CG 3.25Å; L12-M16 WeakPolarHBondContact O-CG 3.41Å; L12-M16 PolarHBondContact O-N 3.47Å
13	C	50.8	Low	49	Very low	67 Å²	67	79.6 Å²	79.6	45%	0.453	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-38.5	173.2	-77.3	0	0	0	0	111.5	I9 C10 I11 C17	I9-C13 WeakPolarHBondContact O-CB 3.23Å; I9-C13 PolarHBondContact O-N 2.98Å; I9-C13 PolarHBondContact O-SG 2.78Å; C10-C13 PolarHBondContact O-N 2.96Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.71Å; C13-C17 WeakPolarHBondContact O-CB 3.11Å; C13-C17 PolarHBondContact O-N 2.76Å; C13-C17 PolarHBondContact O-SG 2.74Å
14	L	51	Low	49.5	Very low	18 Å²	18	78.9 Å²	78.9	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-62.9	-50.4	173.7	-110.8	136.5	0	0	0	111.7	C10 I11 L12 C17 T18 I243	C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 PolarHBondContact O-N 3.45Å; I11-L14 VanDerWaalsContact O-CB 3.3Å; I11-L14 WeakPolarHBondContact O-CB 3.49Å; I11-L14 PolarHBondContact O-N 2.79Å; I11-L14 VanDerWaalsContact O-N 3.14Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 3.47Å; L14-C17 PolarHBondContact O-N 3.38Å; L14-T18 WeakPolarHBondContact O-CG2 3.31Å; L14-T18 PolarHBondContact O-N 3.03Å; L14-T18 PolarHBondContact O-OG1 2.79Å; L14-I243 HydrophobicContact CD1-CD1 3.42Å; L14-I243 VanDerWaalsContact CD1-CD1 3.42Å; L14-I243 HydrophobicContact CD1-CG1 3.87Å; L14-I243 HydrophobicContact CD1-CG2 4.21Å; L14-I243 HydrophobicContact CG-CG2 4.48Å
15	H	51	Low	50	Low	112 Å²	112	72.9 Å²	72.9	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-44.6	-177.6	-122.8	5.7	0	0	0	111.7	I11 L12 T18 A19	I11-H15 PolarHBondContact O-N 2.65Å; L12-H15 PolarHBondContact O-N 3.29Å; H15-T18 WeakPolarHBondContact CA-OG1 3.48Å; H15-T18 PolarHBondContact O-N 3.21Å; H15-T18 PolarHBondContact O-OG1 2.79Å; H15-A19 WeakPolarHBondContact O-CB 3.11Å; H15-A19 PolarHBondContact O-N 2.98Å
16	M	53.3	Low	50.5	Low	121 Å²	121	73 Å²	73	60%	0.596	40%	0.395	S	S	*	.	H	α-helix	trans	-60.4	-48.7	173.2	-73.6	-115	56.2	0	0	110.3	L12 T18 A19 T20	L12-M16 VanDerWaalsContact O-CB 3.24Å; L12-M16 WeakPolarHBondContact O-CB 3.27Å; L12-M16 VanDerWaalsContact O-CG 3.25Å; L12-M16 WeakPolarHBondContact O-CG 3.41Å; L12-M16 PolarHBondContact O-N 3.47Å; M16-T18 PolarHBondContact O-N 3.29Å; M16-A19 PolarHBondContact O-N 3.05Å; M16-T20 WeakPolarHBondContact O-CB 3.46Å; M16-T20 PolarHBondContact O-N 3.37Å; M16-T20 PolarHBondContact O-OG1 2.98Å
17	C	49.9	Very low	51.1	Low	39 Å²	39	71.6 Å²	71.6	26%	0.264	39%	0.393	S	S	.	.	H	α-helix	trans	-59.9	-49	177	-75	0	0	0	0	111.3	C13 L14 A19 T20 I21 F247	C13-C17 WeakPolarHBondContact O-CB 3.11Å; C13-C17 PolarHBondContact O-N 2.76Å; C13-C17 PolarHBondContact O-SG 2.74Å; L14-C17 PolarHBondContact O-N 3.38Å; C17-A19 VanDerWaalsContact C-N 3.34Å; C17-A19 PolarHBondContact O-N 2.75Å; C17-T20 PolarHBondContact O-N 3.33Å; C17-I21 HydrophobicContact CB-CD1 4.01Å; C17-I21 WeakPolarHBondContact O-CB 3.46Å; C17-I21 WeakPolarHBondContact O-CD1 3.46Å; C17-I21 WeakPolarHBondContact O-CG1 3.38Å; C17-I21 PolarHBondContact O-N 3.44Å; C17-F247 HydrophobicContact CB-CE1 4Å; C17-F247 HydrophobicContact CB-CZ 3.98Å
18	T	48.2	Very low	51.5	Low	37 Å²	37	73.1 Å²	73.1	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-58.8	-44.4	179.1	47.5	0	0	0	0	112.1	L14 H15 M16 E22 M182	L14-T18 WeakPolarHBondContact O-CG2 3.31Å; L14-T18 PolarHBondContact O-N 3.03Å; L14-T18 PolarHBondContact O-OG1 2.79Å; H15-T18 WeakPolarHBondContact CA-OG1 3.48Å; H15-T18 PolarHBondContact O-N 3.21Å; H15-T18 PolarHBondContact O-OG1 2.79Å; M16-T18 PolarHBondContact O-N 3.29Å; T18-E22 WeakPolarHBondContact O-CB 3.41Å; T18-E22 WeakPolarHBondContact O-CG 3.49Å; T18-E22 PolarHBondContact O-N 2.7Å; T18-M182 HydrophobicContact CG2-SD 3.81Å
19	A	52.4	Low	51.6	Low	50 Å²	50	73.7 Å²	73.7	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-49.8	-179.4	0	0	0	0	0	111.9	H15 M16 C17 I21 E22 E23	H15-A19 WeakPolarHBondContact O-CB 3.11Å; H15-A19 PolarHBondContact O-N 2.98Å; M16-A19 PolarHBondContact O-N 3.05Å; C17-A19 VanDerWaalsContact C-N 3.34Å; C17-A19 PolarHBondContact O-N 2.75Å; A19-I21 PolarHBondContact O-N 2.82Å; A19-E22 PolarHBondContact O-N 3.33Å; A19-E23 PolarHBondContact O-N 3.29Å
20	T	51.1	Low	52.1	Low	59 Å²	59	74.8 Å²	74.8	36%	0.362	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-28.9	-179.8	-28.1	0	0	0	0	111.5	M16 C17 N24	M16-T20 WeakPolarHBondContact O-CB 3.46Å; M16-T20 PolarHBondContact O-N 3.37Å; M16-T20 PolarHBondContact O-OG1 2.98Å; C17-T20 PolarHBondContact O-N 3.33Å; T20-N24 VanDerWaalsContact O-CB 3.28Å; T20-N24 WeakPolarHBondContact O-CB 3.35Å; T20-N24 VanDerWaalsContact O-CG 3.29Å; T20-N24 PolarHBondContact O-N 3.33Å; T20-N24 PolarHBondContact O-ND2 2.89Å
21	I	48.9	Very low	52.7	Low	51 Å²	51	75.7 Å²	75.7	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-82.6	-42.4	179	-66.8	168	0	0	0	111	C17 A19 E23 N24 V25 M250	C17-I21 HydrophobicContact CB-CD1 4.01Å; C17-I21 WeakPolarHBondContact O-CB 3.46Å; C17-I21 WeakPolarHBondContact O-CD1 3.46Å; C17-I21 WeakPolarHBondContact O-CG1 3.38Å; C17-I21 PolarHBondContact O-N 3.44Å; A19-I21 PolarHBondContact O-N 2.82Å; I21-E23 PolarHBondContact O-N 2.86Å; I21-N24 PolarHBondContact O-N 3.4Å; I21-V25 HydrophobicContact CG2-CG2 3.62Å; I21-V25 WeakPolarHBondContact O-CB 3.49Å; I21-V25 WeakPolarHBondContact O-CG2 3.35Å; I21-V25 PolarHBondContact O-N 2.82Å; I21-M250 HydrophobicContact CD1-CE 3.94Å; I21-M250 HydrophobicContact CD1-SD 3.57Å; I21-M250 VanDerWaalsContact CD1-SD 3.57Å; I21-M250 HydrophobicContact CG2-SD 4.28Å
22	E	50.4	Low	53	Low	139 Å²	139	74.1 Å²	74.1	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-57.2	-36.5	170.2	-83.4	-173.5	169.1	0	0	110.7	T18 A19 N26	T18-E22 WeakPolarHBondContact O-CB 3.41Å; T18-E22 WeakPolarHBondContact O-CG 3.49Å; T18-E22 PolarHBondContact O-N 2.7Å; A19-E22 PolarHBondContact O-N 3.33Å; E22-N26 WeakPolarHBondContact O-CB 3.08Å; E22-N26 PolarHBondContact O-N 2.88Å
23	E	54.6	Low	53.4	Low	141 Å²	141	72 Å²	72	66%	0.659	38%	0.381	S	S	*	.	H	α-helix	trans	-70.8	-54.7	172.3	-83.9	-174.9	151.5	0	0	113.1	A19 I21 N26 S27	A19-E23 PolarHBondContact O-N 3.29Å; I21-E23 PolarHBondContact O-N 2.86Å; E23-N26 PolarHBondContact O-N 2.77Å; E23-S27 WeakPolarHBondContact O-CB 3.26Å; E23-S27 PolarHBondContact O-N 2.81Å
24	N	52.4	Low	54.1	Low	91 Å²	91	74.1 Å²	74.1	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-48.2	-174.5	-77.8	-23.1	0	0	0	112.5	T20 I21 N26 S27 D28	T20-N24 VanDerWaalsContact O-CB 3.28Å; T20-N24 WeakPolarHBondContact O-CB 3.35Å; T20-N24 VanDerWaalsContact O-CG 3.29Å; T20-N24 PolarHBondContact O-N 3.33Å; T20-N24 PolarHBondContact O-ND2 2.89Å; I21-N24 PolarHBondContact O-N 3.4Å; N24-N26 VanDerWaalsContact C-N 3.3Å; N24-N26 PolarHBondContact O-N 3.49Å; N24-S27 PolarHBondContact O-N 3.36Å; N24-D28 WeakPolarHBondContact O-CB 3.22Å; N24-D28 VanDerWaalsContact O-CG 3.28Å; N24-D28 PolarHBondContact O-N 3.19Å
25	V	51	Low	54.6	Low	33 Å²	33	78 Å²	78	20%	0.2	40%	0.4	C	S	.	.	H	α-helix	trans	-63.8	-38.8	179.6	175.9	0	0	0	0	110.4	I21 W29 I175	I21-V25 HydrophobicContact CG2-CG2 3.62Å; I21-V25 WeakPolarHBondContact O-CB 3.49Å; I21-V25 WeakPolarHBondContact O-CG2 3.35Å; I21-V25 PolarHBondContact O-N 2.82Å; V25-W29 WeakPolarHBondContact O-CB 3.27Å; V25-W29 PolarHBondContact O-N 2.97Å; V25-I175 HydrophobicContact CG1-CD1 3.65Å; V25-I175 HydrophobicContact CG1-CG1 4.49Å
26	N	53.2	Low	54.9	Low	79 Å²	79	73 Å²	73	42%	0.422	38%	0.377	S	S	.	.	H	α-helix	trans	-73.6	-34.1	178.6	-164	30.6	0	0	0	112.1	E22 E23 N24 K30	E22-N26 WeakPolarHBondContact O-CB 3.08Å; E22-N26 PolarHBondContact O-N 2.88Å; E23-N26 PolarHBondContact O-N 2.77Å; N24-N26 VanDerWaalsContact C-N 3.3Å; N24-N26 PolarHBondContact O-N 3.49Å; N26-K30 WeakPolarHBondContact O-CB 3.28Å; N26-K30 WeakPolarHBondContact O-CG 3.45Å; N26-K30 PolarHBondContact O-N 3.49Å
27	S	58.4	Low	55.3	Low	68 Å²	68	70.5 Å²	70.5	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-54.6	172.1	174.1	0	0	0	0	111.2	E23 N24 W29 K30 D31	E23-S27 WeakPolarHBondContact O-CB 3.26Å; E23-S27 PolarHBondContact O-N 2.81Å; N24-S27 PolarHBondContact O-N 3.36Å; S27-W29 VanDerWaalsContact C-N 3.3Å; S27-W29 PolarHBondContact O-N 3.25Å; S27-K30 WeakPolarHBondContact O-CB 3.04Å; S27-K30 PolarHBondContact O-N 3.47Å; S27-K30 VanDerWaalsContact O-N 3.12Å; S27-D31 PolarHBondContact O-N 3.46Å
28	D	54.8	Low	56	Low	69 Å²	69	76.1 Å²	76.1	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-37.1	-179	-65.5	-15.3	0	0	0	110.8	N24 D31 M32	N24-D28 WeakPolarHBondContact O-CB 3.22Å; N24-D28 VanDerWaalsContact O-CG 3.28Å; N24-D28 PolarHBondContact O-N 3.19Å; D28-D31 PolarHBondContact O-N 3.32Å; D28-M32 VanDerWaalsContact O-CB 3.3Å; D28-M32 WeakPolarHBondContact O-CB 3.46Å; D28-M32 PolarHBondContact O-N 3.02Å
29	W	53	Low	56.3	Low	92 Å²	92	74.9 Å²	74.9	35%	0.348	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-42.2	173.3	-170.6	90.6	0	0	0	112.1	V25 S27 N33	V25-W29 WeakPolarHBondContact O-CB 3.27Å; V25-W29 PolarHBondContact O-N 2.97Å; S27-W29 VanDerWaalsContact C-N 3.3Å; S27-W29 PolarHBondContact O-N 3.25Å; W29-N33 WeakPolarHBondContact CH2-ND2 3.3Å; W29-N33 WeakPolarHBondContact O-CB 3.48Å; W29-N33 PolarHBondContact O-N 3.38Å
30	K	60	Low	56.6	Low	118 Å²	118	74.7 Å²	74.7	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-46.2	174.2	-79	172.4	-174.9	176.9	0	111.4	N26 S27 N33 I34	N26-K30 WeakPolarHBondContact O-CB 3.28Å; N26-K30 WeakPolarHBondContact O-CG 3.45Å; N26-K30 PolarHBondContact O-N 3.49Å; S27-K30 WeakPolarHBondContact O-CB 3.04Å; S27-K30 PolarHBondContact O-N 3.47Å; S27-K30 VanDerWaalsContact O-N 3.12Å; K30-N33 PolarHBondContact O-N 2.85Å; K30-I34 WeakPolarHBondContact O-CD1 3.22Å; K30-I34 VanDerWaalsContact O-CG1 3.23Å; K30-I34 WeakPolarHBondContact O-CG1 3.22Å; K30-I34 PolarHBondContact O-N 3.28Å
31	D	61.9	Low	57.2	Low	65 Å²	65	77.5 Å²	77.5	35%	0.348	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-45.5	178.7	-170.2	53.9	0	0	0	111.7	S27 D28 N33 I34 R35	S27-D31 PolarHBondContact O-N 3.46Å; D28-D31 PolarHBondContact O-N 3.32Å; D31-N33 VanDerWaalsContact C-N 3.33Å; D31-N33 PolarHBondContact O-N 2.84Å; D31-I34 WeakPolarHBondContact O-CB 3.42Å; D31-I34 PolarHBondContact O-N 2.83Å; D31-R35 WeakPolarHBondContact O-CG 3.35Å; D31-R35 PolarHBondContact O-N 2.84Å; D31-R35 IonicContact OD2-CZ 3.97Å; D31-R35 IonicContact OD2-NE 2.98Å; D31-R35 PolarHBondContact OD2-NE 3.31Å; D31-R35 IonicContact OD2-NH2 3.63Å; D31-R35 PolarHBondContact OD2-NH2 2.84Å
32	M	56.2	Low	57.7	Low	4 Å²	4	76.3 Å²	76.3	2%	0.02	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-42.1	175.4	-178.3	177.7	50	0	0	111.8	D28 I34 R35 L36 L168 I260	D28-M32 VanDerWaalsContact O-CB 3.3Å; D28-M32 WeakPolarHBondContact O-CB 3.46Å; D28-M32 PolarHBondContact O-N 3.02Å; M32-I34 VanDerWaalsContact C-N 3.34Å; M32-R35 PolarHBondContact O-N 2.95Å; M32-L36 WeakPolarHBondContact O-CB 3.28Å; M32-L36 PolarHBondContact O-N 2.78Å; M32-L168 HydrophobicContact CE-CD2 3.26Å; M32-L168 HydrophobicContact SD-CD2 3.83Å; M32-I260 HydrophobicContact SD-CB 4.41Å; M32-I260 HydrophobicContact SD-CG2 3.65Å
33	N	59.1	Low	57.9	Low	60 Å²	60	70.4 Å²	70.4	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-35.2	178.8	-155.7	19	0	0	0	111.6	W29 K30 D31 L36 T37	W29-N33 WeakPolarHBondContact CH2-ND2 3.3Å; W29-N33 WeakPolarHBondContact O-CB 3.48Å; W29-N33 PolarHBondContact O-N 3.38Å; K30-N33 PolarHBondContact O-N 2.85Å; D31-N33 VanDerWaalsContact C-N 3.33Å; D31-N33 PolarHBondContact O-N 2.84Å; N33-L36 PolarHBondContact O-N 3.28Å; N33-T37 WeakPolarHBondContact O-CB 3.31Å; N33-T37 PolarHBondContact O-N 2.85Å; N33-T37 PolarHBondContact O-OG1 3.01Å
34	I	64.5	Low	58.3	Low	111 Å²	111	67.7 Å²	67.7	57%	0.569	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-47.8	170.3	-70.3	163	0	0	0	110.5	K30 D31 M32 L36 T37 R38	K30-I34 WeakPolarHBondContact O-CD1 3.22Å; K30-I34 VanDerWaalsContact O-CG1 3.23Å; K30-I34 WeakPolarHBondContact O-CG1 3.22Å; K30-I34 PolarHBondContact O-N 3.28Å; D31-I34 WeakPolarHBondContact O-CB 3.42Å; D31-I34 PolarHBondContact O-N 2.83Å; M32-I34 VanDerWaalsContact C-N 3.34Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.47Å; I34-T37 PolarHBondContact O-N 3.46Å; I34-R38 WeakPolarHBondContact O-CB 3.23Å; I34-R38 PolarHBondContact O-N 2.89Å
35	R	62.1	Low	58.9	Low	98 Å²	98	66.1 Å²	66.1	37%	0.37	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-40.7	176.9	-67.7	177.5	-167.8	-163.7	6.5	112	D31 M32 R38 L39	D31-R35 WeakPolarHBondContact O-CG 3.35Å; D31-R35 PolarHBondContact O-N 2.84Å; D31-R35 IonicContact OD2-CZ 3.97Å; D31-R35 IonicContact OD2-NE 2.98Å; D31-R35 PolarHBondContact OD2-NE 3.31Å; D31-R35 IonicContact OD2-NH2 3.63Å; D31-R35 PolarHBondContact OD2-NH2 2.84Å; M32-R35 PolarHBondContact O-N 2.95Å; R35-R38 PolarHBondContact O-N 3.08Å; R35-L39 PolarHBondContact O-N 3.23Å
36	L	57.4	Low	59	Low	9 Å²	9	65.5 Å²	65.5	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-41.2	177.4	-150.4	88	0	0	0	111.9	M32 N33 I34 R38 L39 T40 F161 I164 L168	M32-L36 WeakPolarHBondContact O-CB 3.28Å; M32-L36 PolarHBondContact O-N 2.78Å; N33-L36 PolarHBondContact O-N 3.28Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.47Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-L39 WeakPolarHBondContact O-CB 3.35Å; L36-L39 PolarHBondContact O-N 2.94Å; L36-T40 WeakPolarHBondContact O-CB 3.29Å; L36-T40 PolarHBondContact O-N 3.45Å; L36-T40 PolarHBondContact O-OG1 3.27Å; L36-F161 HydrophobicContact CD2-CE2 4.14Å; L36-F161 HydrophobicContact CG-CE2 4.5Å; L36-I164 HydrophobicContact CD1-CB 4.22Å; L36-I164 HydrophobicContact CD1-CD1 3.92Å; L36-I164 HydrophobicContact CD1-CG2 3.43Å; L36-I164 VanDerWaalsContact CD1-CG2 3.43Å; L36-I164 HydrophobicContact CD2-CG2 4.44Å; L36-L168 HydrophobicContact CD2-CD1 3.82Å
37	T	62	Low	59.3	Low	67 Å²	67	64.5 Å²	64.5	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-45.1	175.6	-57.1	0	0	0	0	110.1	N33 I34 L39 T40 E41	N33-T37 WeakPolarHBondContact O-CB 3.31Å; N33-T37 PolarHBondContact O-N 2.85Å; N33-T37 PolarHBondContact O-OG1 3.01Å; I34-T37 PolarHBondContact O-N 3.46Å; T37-L39 PolarHBondContact O-N 3.4Å; T37-T40 CarbonylContact O-C 3.53Å; T37-T40 WeakPolarHBondContact O-CA 3.36Å; T37-T40 VanDerWaalsContact O-CB 3.32Å; T37-T40 WeakPolarHBondContact O-CB 3.37Å; T37-T40 PolarHBondContact O-N 3.06Å; T37-E41 WeakPolarHBondContact O-CG 3.5Å; T37-E41 PolarHBondContact O-N 3.17Å
38	R	63.8	Low	59.6	Low	157 Å²	157	68.2 Å²	68.2	59%	0.592	32%	0.322	S	S	*	.	H	α-helix	trans	-61.8	-42.9	175.9	-167.1	177.1	-174.9	159.8	2.1	112.5	I34 R35 L36 T40 E41 Q42	I34-R38 WeakPolarHBondContact O-CB 3.23Å; I34-R38 PolarHBondContact O-N 2.89Å; R35-R38 PolarHBondContact O-N 3.08Å; L36-R38 VanDerWaalsContact C-N 3.35Å; R38-T40 VanDerWaalsContact C-N 3.3Å; R38-T40 PolarHBondContact O-N 3.07Å; R38-E41 PolarHBondContact O-N 3.38Å; R38-Q42 VanDerWaalsContact O-CG 3.32Å; R38-Q42 WeakPolarHBondContact O-CG 3.45Å; R38-Q42 PolarHBondContact O-N 3.5Å
39	L	55.4	Low	59.8	Low	12 Å²	12	66.4 Å²	66.4	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-42.6	171.6	-82.7	164.8	0	0	0	111.3	R35 L36 T37 Q42 V43 H268 V271	R35-L39 PolarHBondContact O-N 3.23Å; L36-L39 WeakPolarHBondContact O-CB 3.35Å; L36-L39 PolarHBondContact O-N 2.94Å; T37-L39 PolarHBondContact O-N 3.4Å; L39-Q42 WeakPolarHBondContact O-CB 3.42Å; L39-Q42 PolarHBondContact O-N 3.01Å; L39-V43 WeakPolarHBondContact O-CG2 3.44Å; L39-V43 PolarHBondContact O-N 3.26Å; L39-H268 HydrophobicContact CD2-CB 4.21Å; L39-H268 WeakPolarHBondContact CD2-ND1 3.38Å; L39-V271 HydrophobicContact CD2-CB 4.44Å; L39-V271 HydrophobicContact CD2-CG2 4.1Å
40	T	58.9	Low	60.1	Low	46 Å²	46	65.8 Å²	65.8	28%	0.282	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-43.8	178.6	-54.3	0	0	0	0	111.3	L36 T37 R38 V43 L44 F161	L36-T40 WeakPolarHBondContact O-CB 3.29Å; L36-T40 PolarHBondContact O-N 3.45Å; L36-T40 PolarHBondContact O-OG1 3.27Å; T37-T40 CarbonylContact O-C 3.53Å; T37-T40 WeakPolarHBondContact O-CA 3.36Å; T37-T40 VanDerWaalsContact O-CB 3.32Å; T37-T40 WeakPolarHBondContact O-CB 3.37Å; T37-T40 PolarHBondContact O-N 3.06Å; R38-T40 VanDerWaalsContact C-N 3.3Å; R38-T40 PolarHBondContact O-N 3.07Å; T40-V43 PolarHBondContact O-N 2.79Å; T40-L44 HydrophobicContact CG2-CD1 4.2Å; T40-L44 WeakPolarHBondContact O-CB 3.43Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.37Å; T40-L44 PolarHBondContact O-N 2.93Å; T40-F161 WeakPolarHBondContact OG1-CE2 3.35Å
41	E	63.8	Low	60.2	Low	118 Å²	118	65.3 Å²	65.3	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-62.9	-42.4	175.8	-73	177.8	169.7	0	0	112.4	T37 R38 V43 L44 S45	T37-E41 WeakPolarHBondContact O-CG 3.5Å; T37-E41 PolarHBondContact O-N 3.17Å; R38-E41 PolarHBondContact O-N 3.38Å; E41-V43 VanDerWaalsContact C-N 3.32Å; E41-V43 PolarHBondContact O-N 2.85Å; E41-L44 PolarHBondContact O-N 3.4Å; E41-S45 WeakPolarHBondContact O-CB 3.12Å; E41-S45 PolarHBondContact O-N 2.86Å
42	Q	59.3	Low	60.3	Low	25 Å²	25	66.2 Å²	66.2	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-45.1	173.6	-75.8	175.9	-37	0	0	111.1	R38 L39 L44 S45 L46 H268 V271 E275	R38-Q42 VanDerWaalsContact O-CG 3.32Å; R38-Q42 WeakPolarHBondContact O-CG 3.45Å; R38-Q42 PolarHBondContact O-N 3.5Å; L39-Q42 WeakPolarHBondContact O-CB 3.42Å; L39-Q42 PolarHBondContact O-N 3.01Å; Q42-L44 PolarHBondContact O-N 3.22Å; Q42-S45 VanDerWaalsContact O-CB 3.28Å; Q42-S45 WeakPolarHBondContact O-CB 3.48Å; Q42-S45 PolarHBondContact O-N 3.14Å; Q42-L46 WeakPolarHBondContact O-CG 3.16Å; Q42-L46 PolarHBondContact O-N 3.48Å; Q42-H268 PolarHBondContact OE1-CE1 3.21Å; Q42-H268 PolarHBondContact OE1-ND1 3.33Å; Q42-V271 HydrophobicContact CB-CG1 3.92Å; Q42-E275 VanDerWaalsContact CB-OE1 3.29Å; Q42-E275 WeakPolarHBondContact CB-OE1 3.26Å; Q42-E275 VanDerWaalsContact CG-OE1 3.27Å; Q42-E275 WeakPolarHBondContact CG-OE1 3.42Å
43	V	54.9	Low	60.3	Low	16 Å²	16	67.4 Å²	67.4	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-41.5	178.1	172.3	0	0	0	0	111.9	L39 T40 E41 S45 L46 K47 V157	L39-V43 WeakPolarHBondContact O-CG2 3.44Å; L39-V43 PolarHBondContact O-N 3.26Å; T40-V43 PolarHBondContact O-N 2.79Å; E41-V43 VanDerWaalsContact C-N 3.32Å; E41-V43 PolarHBondContact O-N 2.85Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 2.87Å; V43-L46 WeakPolarHBondContact O-CB 3.5Å; V43-L46 PolarHBondContact O-N 3.15Å; V43-K47 HydrophobicContact CG1-CD 4.41Å; V43-K47 WeakPolarHBondContact O-CG 3.26Å; V43-K47 PolarHBondContact O-N 2.9Å; V43-V157 HydrophobicContact CB-CG1 4.13Å; V43-V157 HydrophobicContact CG1-CG1 3.83Å; V43-V157 HydrophobicContact CG2-CB 4.37Å; V43-V157 HydrophobicContact CG2-CG1 3.17Å; V43-V157 HydrophobicContact CG2-CG2 4.47Å
44	L	61.7	Low	60.3	Low	83 Å²	83	67.7 Å²	67.7	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-35.8	174.4	-72	170.6	0	0	0	111.7	T40 E41 Q42 K47 R48	T40-L44 HydrophobicContact CG2-CD1 4.2Å; T40-L44 WeakPolarHBondContact O-CB 3.43Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.37Å; T40-L44 PolarHBondContact O-N 2.93Å; E41-L44 PolarHBondContact O-N 3.4Å; Q42-L44 PolarHBondContact O-N 3.22Å; L44-K47 PolarHBondContact O-N 3.3Å; L44-R48 WeakPolarHBondContact O-CG 2.93Å; L44-R48 PolarHBondContact O-N 2.86Å
45	S	65.8	Low	60.3	Low	59 Å²	59	70.5 Å²	70.5	41%	0.413	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-46.9	173.2	-168.9	0	0	0	0	111.7	E41 Q42 V43 K47 R48 S49	E41-S45 WeakPolarHBondContact O-CB 3.12Å; E41-S45 PolarHBondContact O-N 2.86Å; Q42-S45 VanDerWaalsContact O-CB 3.28Å; Q42-S45 WeakPolarHBondContact O-CB 3.48Å; Q42-S45 PolarHBondContact O-N 3.14Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 2.87Å; S45-K47 VanDerWaalsContact C-N 3.35Å; S45-K47 PolarHBondContact O-N 2.91Å; S45-R48 WeakPolarHBondContact O-CB 3.22Å; S45-R48 PolarHBondContact O-N 2.84Å; S45-R48 VanDerWaalsContact O-N 3.14Å; S45-S49 PolarHBondContact O-N 3.19Å
46	L	53.7	Low	60.1	Low	19 Å²	19	68.8 Å²	68.8	10%	0.099	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-45.4	174.5	-70.3	171.9	0	0	0	111.7	Q42 V43 R48 S49 R50 V271 I274 E275 L278	Q42-L46 WeakPolarHBondContact O-CG 3.16Å; Q42-L46 PolarHBondContact O-N 3.48Å; V43-L46 WeakPolarHBondContact O-CB 3.5Å; V43-L46 PolarHBondContact O-N 3.15Å; L46-R48 VanDerWaalsContact C-N 3.3Å; L46-R48 PolarHBondContact O-N 3.34Å; L46-S49 PolarHBondContact O-N 3.05Å; L46-R50 PolarHBondContact O-N 3.42Å; L46-V271 HydrophobicContact CD1-CG1 4.2Å; L46-I274 HydrophobicContact CD2-CG2 4.45Å; L46-E275 HydrophobicContact CD1-CG 4.32Å; L46-E275 HydrophobicContact CD2-CG 3.83Å; L46-E275 HydrophobicContact CG-CG 4.2Å; L46-L278 HydrophobicContact CD2-CD1 3.23Å
47	K	58.5	Low	60.1	Low	59 Å²	59	69 Å²	69	26%	0.257	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-38.5	175.6	-76	177.7	179.5	177.8	0	112	V43 L44 S45 I51 E154 D158	V43-K47 HydrophobicContact CG1-CD 4.41Å; V43-K47 WeakPolarHBondContact O-CG 3.26Å; V43-K47 PolarHBondContact O-N 2.9Å; L44-K47 PolarHBondContact O-N 3.3Å; S45-K47 VanDerWaalsContact C-N 3.35Å; S45-K47 PolarHBondContact O-N 2.91Å; K47-I51 WeakPolarHBondContact O-CG1 3.47Å; K47-I51 PolarHBondContact O-N 3.2Å; K47-E154 WeakPolarHBondContact CG-OE1 3.32Å; K47-D158 IonicContact NZ-OD1 3.77Å; K47-D158 PolarHBondContact NZ-OD1 3.05Å; K47-D158 IonicContact NZ-OD2 3.13Å
48	R	63.9	Low	60.2	Low	145 Å²	145	69.2 Å²	69.2	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-43	174.5	-75	-175.3	-69.4	-106.7	0.4	112.6	L44 S45 L46 R50 I51 N52	L44-R48 WeakPolarHBondContact O-CG 2.93Å; L44-R48 PolarHBondContact O-N 2.86Å; S45-R48 WeakPolarHBondContact O-CB 3.22Å; S45-R48 PolarHBondContact O-N 2.84Å; S45-R48 VanDerWaalsContact O-N 3.14Å; L46-R48 VanDerWaalsContact C-N 3.3Å; L46-R48 PolarHBondContact O-N 3.34Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 2.79Å; R48-I51 PolarHBondContact O-N 3.04Å; R48-N52 PolarHBondContact O-N 3.46Å
49	S	59.4	Low	60.1	Low	31 Å²	31	66.1 Å²	66.1	22%	0.217	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-44.7	175.4	-166.7	0	0	0	0	111	S45 L46 I51 N52 D53	S45-S49 PolarHBondContact O-N 3.19Å; L46-S49 PolarHBondContact O-N 3.05Å; S49-I51 VanDerWaalsContact C-N 3.35Å; S49-I51 PolarHBondContact O-N 2.82Å; S49-N52 WeakPolarHBondContact O-CA 3.29Å; S49-N52 WeakPolarHBondContact O-CB 3.43Å; S49-N52 PolarHBondContact O-N 2.87Å; S49-D53 VanDerWaalsContact O-CG 3.3Å; S49-D53 PolarHBondContact O-N 3.21Å; S49-D53 PolarHBondContact OG-OD2 3.12Å
50	R	60.5	Low	60	Low	80 Å²	80	67.5 Å²	67.5	30%	0.302	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-41.6	176	-174.5	-173.1	68.6	-179.5	-9.7	113.1	L46 R48 N52 D53 Q54 L147 E154	L46-R50 PolarHBondContact O-N 3.42Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 2.79Å; R50-N52 PolarHBondContact O-N 2.83Å; R50-D53 PolarHBondContact O-N 2.86Å; R50-Q54 VanDerWaalsContact O-CB 3.25Å; R50-Q54 WeakPolarHBondContact O-CB 3.44Å; R50-Q54 PolarHBondContact O-N 3.25Å; R50-L147 HydrophobicContact CG-CD1 3.98Å; R50-E154 IonicContact CZ-OE1 3.43Å; R50-E154 IonicContact CZ-OE2 3.47Å; R50-E154 IonicContact NE-OE1 3.95Å; R50-E154 IonicContact NH1-OE1 3.01Å; R50-E154 IonicContact NH1-OE2 3.9Å; R50-E154 PolarHBondContact NH1-OE2 2.83Å; R50-E154 IonicContact NH2-OE2 3.89Å
51	I	62.1	Low	60.1	Low	108 Å²	108	69.6 Å²	69.6	55%	0.554	33%	0.331	S	S	*	.	H	α-helix	trans	-60.5	-39.2	177.6	-68.5	167.9	0	0	0	110.1	K47 R48 S49 R55	K47-I51 WeakPolarHBondContact O-CG1 3.47Å; K47-I51 PolarHBondContact O-N 3.2Å; R48-I51 PolarHBondContact O-N 3.04Å; S49-I51 VanDerWaalsContact C-N 3.35Å; S49-I51 PolarHBondContact O-N 2.82Å; I51-R55 WeakPolarHBondContact O-CB 3.33Å; I51-R55 PolarHBondContact O-N 3.05Å
52	N	62.5	Low	60.2	Low	84 Å²	84	67.4 Å²	67.4	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-69.5	-43.7	175.7	-66.5	-24.7	0	0	0	112.2	R48 S49 R50 R55 R56	R48-N52 PolarHBondContact O-N 3.46Å; S49-N52 WeakPolarHBondContact O-CA 3.29Å; S49-N52 WeakPolarHBondContact O-CB 3.43Å; S49-N52 PolarHBondContact O-N 2.87Å; R50-N52 PolarHBondContact O-N 2.83Å; N52-R55 WeakPolarHBondContact O-CB 3.48Å; N52-R55 PolarHBondContact O-N 3.22Å; N52-R56 PolarHBondContact O-N 3.01Å
53	D	56.6	Low	60.1	Low	28 Å²	28	69.3 Å²	69.3	15%	0.15	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-39.2	178.7	-61.3	-32.3	0	0	0	111.2	S49 R50 R55 R56 L57 H282	S49-D53 VanDerWaalsContact O-CG 3.3Å; S49-D53 PolarHBondContact O-N 3.21Å; S49-D53 PolarHBondContact OG-OD2 3.12Å; R50-D53 PolarHBondContact O-N 2.86Å; D53-R55 VanDerWaalsContact C-N 3.32Å; D53-R55 PolarHBondContact O-N 3.45Å; D53-R56 PolarHBondContact O-N 2.87Å; D53-L57 PolarHBondContact O-N 3.48Å; D53-H282 IonicContact OD1-CE1 3.19Å; D53-H282 IonicContact OD1-ND1 3.65Å; D53-H282 PolarHBondContact OD1-ND1 3.39Å; D53-H282 VanDerWaalsContact OD1-ND1 3.13Å
54	Q	58.8	Low	60.1	Low	66 Å²	66	71.2 Å²	71.2	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-37.7	172.8	-174.9	63.9	55.4	0	0	111.7	R50 L57 N58	R50-Q54 VanDerWaalsContact O-CB 3.25Å; R50-Q54 WeakPolarHBondContact O-CB 3.44Å; R50-Q54 PolarHBondContact O-N 3.25Å; Q54-L57 PolarHBondContact O-N 3.3Å; Q54-N58 PolarHBondContact NE2-OD1 2.95Å; Q54-N58 PolarHBondContact O-N 2.08Å; Q54-N58 PolarHBondContact O-OD1 3.33Å
55	R	64.5	Low	59.9	Low	170 Å²	170	73.9 Å²	73.9	64%	0.642	36%	0.358	S	S	*	.	H	α-helix	trans	-63.7	-46.6	175.5	-165.7	180	-156.7	165	5.5	111.1	I51 N52 D53 L57 N58 D59	I51-R55 WeakPolarHBondContact O-CB 3.33Å; I51-R55 PolarHBondContact O-N 3.05Å; N52-R55 WeakPolarHBondContact O-CB 3.48Å; N52-R55 PolarHBondContact O-N 3.22Å; D53-R55 VanDerWaalsContact C-N 3.32Å; D53-R55 PolarHBondContact O-N 3.45Å; R55-L57 VanDerWaalsContact C-N 3.31Å; R55-L57 PolarHBondContact O-N 3.06Å; R55-N58 WeakPolarHBondContact O-CB 3.31Å; R55-N58 PolarHBondContact O-N 2.9Å; R55-D59 VanDerWaalsContact O-CG 3.26Å; R55-D59 PolarHBondContact O-N 3.41Å
56	R	57.7	Low	59.7	Low	62 Å²	62	79.2 Å²	79.2	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-40.2	174.7	-72	179.8	178.1	170.7	4	112.1	N52 D53 D59 L60 H282 E289	N52-R56 PolarHBondContact O-N 3.01Å; D53-R56 PolarHBondContact O-N 2.87Å; R56-D59 PolarHBondContact O-N 2.97Å; R56-L60 WeakPolarHBondContact O-CG 3.44Å; R56-L60 PolarHBondContact O-N 3.42Å; R56-H282 PolarHBondContact NH1-CE1 3.22Å; R56-H282 PolarHBondContact NH1-ND1 2.98Å; R56-H282 PolarHBondContact NH1-NE2 2.8Å; R56-H282 PolarHBondContact NH2-CE1 2.9Å; R56-H282 VanDerWaalsContact NH2-CE1 3.3Å; R56-H282 PolarHBondContact NH2-NE2 2.96Å; R56-E289 WeakPolarHBondContact CD-OE1 3.45Å
57	L	57.7	Low	59.8	Low	15 Å²	15	80 Å²	80	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-45.8	174.6	-179.6	63.2	0	0	0	111.7	D53 Q54 R55 D59 L60 Q61 I143	D53-L57 PolarHBondContact O-N 3.48Å; Q54-L57 PolarHBondContact O-N 3.3Å; R55-L57 VanDerWaalsContact C-N 3.31Å; R55-L57 PolarHBondContact O-N 3.06Å; L57-D59 VanDerWaalsContact C-N 3.27Å; L57-D59 PolarHBondContact O-N 2.83Å; L57-L60 PolarHBondContact O-N 2.94Å; L57-Q61 WeakPolarHBondContact O-CG 3.42Å; L57-Q61 PolarHBondContact O-N 3.31Å; L57-I143 HydrophobicContact CD1-CG2 4.13Å; L57-I143 HydrophobicContact CD2-CG2 4.46Å
58	N	64.4	Low	59.6	Low	71 Å²	71	80.1 Å²	80.1	38%	0.38	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-39	176.7	-63.8	-7.9	0	0	0	111	Q54 R55 Q61 V62	Q54-N58 PolarHBondContact NE2-OD1 2.95Å; Q54-N58 PolarHBondContact O-N 2.08Å; Q54-N58 PolarHBondContact O-OD1 3.33Å; R55-N58 WeakPolarHBondContact O-CB 3.31Å; R55-N58 PolarHBondContact O-N 2.9Å; N58-Q61 PolarHBondContact O-N 2.88Å; N58-V62 WeakPolarHBondContact O-CG2 3.38Å; N58-V62 PolarHBondContact O-N 2.75Å
59	D	62.2	Low	59.5	Low	92 Å²	92	76.2 Å²	76.2	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-41.2	175.9	-65.2	-26.3	0	0	0	111.6	R55 R56 L57 V62 L63	R55-D59 VanDerWaalsContact O-CG 3.26Å; R55-D59 PolarHBondContact O-N 3.41Å; R56-D59 PolarHBondContact O-N 2.97Å; L57-D59 VanDerWaalsContact C-N 3.27Å; L57-D59 PolarHBondContact O-N 2.83Å; D59-V62 PolarHBondContact O-N 3.43Å; D59-L63 PolarHBondContact O-N 2.94Å
60	L	52.9	Low	59.5	Low	41 Å²	41	80.3 Å²	80.3	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-63.3	-40.6	172.8	-75.3	170	0	0	0	112.3	R56 L57 V62 L63 N64 I143	R56-L60 WeakPolarHBondContact O-CG 3.44Å; R56-L60 PolarHBondContact O-N 3.42Å; L57-L60 PolarHBondContact O-N 2.94Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-L63 WeakPolarHBondContact O-CB 3.48Å; L60-L63 PolarHBondContact O-N 3.49Å; L60-N64 WeakPolarHBondContact O-CB 3.28Å; L60-N64 PolarHBondContact O-N 3.5Å; L60-I143 HydrophobicContact CD1-CD1 4.03Å
61	Q	61.9	Low	59.2	Low	90 Å²	90	79.3 Å²	79.3	42%	0.421	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-39.9	175.3	-75	179.7	-20.7	0	0	111.8	L57 N58 N64 M65	L57-Q61 WeakPolarHBondContact O-CG 3.42Å; L57-Q61 PolarHBondContact O-N 3.31Å; N58-Q61 PolarHBondContact O-N 2.88Å; Q61-N64 PolarHBondContact O-N 3.42Å; Q61-M65 WeakPolarHBondContact O-CB 3.19Å; Q61-M65 PolarHBondContact O-N 3.22Å
62	V	64.8	Low	58.9	Low	72 Å²	72	77.8 Å²	77.8	44%	0.436	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-42.1	174.2	170.2	0	0	0	0	111.2	N58 D59 L60 M65 R66	N58-V62 WeakPolarHBondContact O-CG2 3.38Å; N58-V62 PolarHBondContact O-N 2.75Å; D59-V62 PolarHBondContact O-N 3.43Å; L60-V62 VanDerWaalsContact C-N 3.35Å; V62-M65 PolarHBondContact O-N 3.47Å; V62-R66 WeakPolarHBondContact O-CG 3.49Å; V62-R66 PolarHBondContact O-N 3.22Å
63	L	57.6	Low	58.7	Low	64 Å²	64	79 Å²	79	34%	0.335	39%	0.386	S	S	.	.	H	α-helix	trans	-60	-45.2	173.6	-81.4	163.3	0	0	0	111.5	D59 L60 M65 R66 L67 M293	D59-L63 PolarHBondContact O-N 2.94Å; L60-L63 WeakPolarHBondContact O-CB 3.48Å; L60-L63 PolarHBondContact O-N 3.49Å; L63-M65 PolarHBondContact O-N 3.11Å; L63-R66 PolarHBondContact O-N 3.18Å; L63-L67 PolarHBondContact O-N 2.73Å; L63-M293 HydrophobicContact CD1-SD 4.31Å; L63-M293 HydrophobicContact CD2-SD 4.42Å
64	N	54.7	Low	58.3	Low	56 Å²	56	81 Å²	81	30%	0.299	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-43	177.7	-166.8	26	0	0	0	111.8	L60 Q61 R66 L67 S68 M136	L60-N64 WeakPolarHBondContact O-CB 3.28Å; L60-N64 PolarHBondContact O-N 3.5Å; Q61-N64 PolarHBondContact O-N 3.42Å; N64-R66 PolarHBondContact O-N 3.17Å; N64-L67 PolarHBondContact O-N 3.12Å; N64-S68 WeakPolarHBondContact O-CB 3.42Å; N64-S68 PolarHBondContact O-N 2.99Å; N64-M136 VanDerWaalsContact OD1-CE 3.32Å; N64-M136 WeakPolarHBondContact OD1-CE 3.23Å
65	M	56.9	Low	57.9	Low	139 Å²	139	82.4 Å²	82.4	69%	0.685	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-45.8	175.8	-168.9	179.4	-173.1	0	0	111.6	Q61 V62 L63 L67 S68 T69	Q61-M65 WeakPolarHBondContact O-CB 3.19Å; Q61-M65 PolarHBondContact O-N 3.22Å; V62-M65 PolarHBondContact O-N 3.47Å; L63-M65 PolarHBondContact O-N 3.11Å; M65-L67 VanDerWaalsContact C-N 3.33Å; M65-L67 PolarHBondContact O-N 3.36Å; M65-S68 PolarHBondContact O-N 3.45Å; M65-T69 PolarHBondContact O-N 3.48Å; M65-T69 PolarHBondContact O-OG1 3.13Å
66	R	61.6	Low	57.3	Low	171 Å²	171	78.3 Å²	78.3	65%	0.645	40%	0.396	S	S	*	.	H	α-helix	trans	-60.5	-41.4	176.3	-74.6	176.7	-179.5	-178.7	1.8	112.2	V62 L63 N64 T69 K70	V62-R66 WeakPolarHBondContact O-CG 3.49Å; V62-R66 PolarHBondContact O-N 3.22Å; L63-R66 PolarHBondContact O-N 3.18Å; N64-R66 PolarHBondContact O-N 3.17Å; R66-T69 PolarHBondContact O-N 2.66Å; R66-K70 PolarHBondContact O-N 3.17Å
67	L	56.4	Low	56.9	Low	35 Å²	35	80.2 Å²	80.2	18%	0.183	41%	0.411	C	S	.	.	H	α-helix	trans	-64.9	-45.6	177.7	-156.4	82.4	0	0	0	110.8	L63 N64 M65 T69 K70 V71 L132 M136 I296	L63-L67 PolarHBondContact O-N 2.73Å; N64-L67 PolarHBondContact O-N 3.12Å; M65-L67 VanDerWaalsContact C-N 3.33Å; M65-L67 PolarHBondContact O-N 3.36Å; L67-T69 VanDerWaalsContact C-N 3.33Å; L67-T69 PolarHBondContact O-N 2.83Å; L67-K70 WeakPolarHBondContact O-CB 3.2Å; L67-K70 PolarHBondContact O-N 3.46Å; L67-K70 VanDerWaalsContact O-N 3.12Å; L67-V71 WeakPolarHBondContact O-CG2 3.34Å; L67-V71 PolarHBondContact O-N 3.49Å; L67-L132 HydrophobicContact CD2-CD2 3.86Å; L67-M136 HydrophobicContact CD2-CE 4.2Å; L67-I296 HydrophobicContact CD1-CD1 4.35Å; L67-I296 HydrophobicContact CD1-CG1 4.18Å; L67-I296 HydrophobicContact CD1-CG2 3.94Å
68	S	55.2	Low	56.2	Low	62 Å²	62	85.2 Å²	85.2	43%	0.434	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-40.7	175.9	-166.8	0	0	0	0	111.9	N64 M65 V71 N72	N64-S68 WeakPolarHBondContact O-CB 3.42Å; N64-S68 PolarHBondContact O-N 2.99Å; M65-S68 PolarHBondContact O-N 3.45Å; S68-V71 PolarHBondContact O-N 2.86Å; S68-N72 WeakPolarHBondContact O-CB 3.39Å; S68-N72 VanDerWaalsContact O-CG 3.27Å; S68-N72 PolarHBondContact O-N 3.36Å; S68-N72 PolarHBondContact O-ND2 2.79Å
69	T	61.5	Low	55.2	Low	64 Å²	64	88.5 Å²	88.5	39%	0.393	45%	0.445	S	S	.	.	H	α-helix	trans	-60.7	-45.7	171.6	-53.1	0	0	0	0	111.5	M65 R66 L67 V71 N72 E73	M65-T69 PolarHBondContact O-N 3.48Å; M65-T69 PolarHBondContact O-OG1 3.13Å; R66-T69 PolarHBondContact O-N 2.66Å; L67-T69 VanDerWaalsContact C-N 3.33Å; L67-T69 PolarHBondContact O-N 2.83Å; T69-V71 VanDerWaalsContact C-N 3.35Å; T69-V71 PolarHBondContact O-N 3.4Å; T69-N72 PolarHBondContact O-N 3.24Å; T69-E73 HydrophobicContact CG2-CG 4.36Å; T69-E73 WeakPolarHBondContact O-CB 3.2Å; T69-E73 WeakPolarHBondContact O-CG 3.42Å; T69-E73 PolarHBondContact O-N 2.78Å
70	K	58.2	Low	54.2	Low	116 Å²	116	89.3 Å²	89.3	50%	0.504	45%	0.45	S	S	.	.	H	α-helix	trans	-59.3	-45.6	177.6	-147	89.4	174.4	-168.9	0	111.5	R66 L67 E73 L74	R66-K70 PolarHBondContact O-N 3.17Å; L67-K70 WeakPolarHBondContact O-CB 3.2Å; L67-K70 PolarHBondContact O-N 3.46Å; L67-K70 VanDerWaalsContact O-N 3.12Å; K70-E73 PolarHBondContact O-N 3.03Å; K70-L74 VanDerWaalsContact O-CD1 3.29Å; K70-L74 WeakPolarHBondContact O-CD1 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3.05Å; K70-L74 PolarHBondContact O-N 2.75Å
71	V	54.5	Low	53.5	Low	60 Å²	60	93 Å²	93	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-60.3	-45.1	175.7	171.2	0	0	0	0	110.6	L67 S68 T69 L74 I75	L67-V71 WeakPolarHBondContact O-CG2 3.34Å; L67-V71 PolarHBondContact O-N 3.49Å; S68-V71 PolarHBondContact O-N 2.86Å; T69-V71 VanDerWaalsContact C-N 3.35Å; T69-V71 PolarHBondContact O-N 3.4Å; V71-L74 WeakPolarHBondContact O-CB 3.11Å; V71-L74 PolarHBondContact O-N 3.39Å; V71-I75 HydrophobicContact CG1-CD1 3.95Å; V71-I75 WeakPolarHBondContact O-CG1 3.47Å; V71-I75 PolarHBondContact O-N 3.23Å
72	N	56.6	Low	52.4	Low	76 Å²	76	95.6 Å²	95.6	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-68.8	-39	178.8	-71.8	-28.4	0	0	0	113.2	S68 T69 L74 I75 N76	S68-N72 WeakPolarHBondContact O-CB 3.39Å; S68-N72 VanDerWaalsContact O-CG 3.27Å; S68-N72 PolarHBondContact O-N 3.36Å; S68-N72 PolarHBondContact O-ND2 2.79Å; T69-N72 PolarHBondContact O-N 3.24Å; N72-L74 PolarHBondContact O-N 2.93Å; N72-I75 PolarHBondContact O-N 2.88Å; N72-N76 WeakPolarHBondContact O-CB 3.42Å; N72-N76 VanDerWaalsContact O-CG 3.31Å; N72-N76 PolarHBondContact O-N 2.85Å
73	E	57.1	Low	51.1	Low	108 Å²	108	98.7 Å²	98.7	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-59.3	-38.3	172.8	-77.6	175.9	179.5	0	0	111.2	T69 K70 N77	T69-E73 HydrophobicContact CG2-CG 4.36Å; T69-E73 WeakPolarHBondContact O-CB 3.2Å; T69-E73 WeakPolarHBondContact O-CG 3.42Å; T69-E73 PolarHBondContact O-N 2.78Å; K70-E73 PolarHBondContact O-N 3.03Å; E73-N77 WeakPolarHBondContact O-CB 3.36Å; E73-N77 PolarHBondContact O-N 3.01Å; E73-N77 PolarHBondContact O-ND2 2.69Å
74	L	49.8	Very low	50.3	Low	72 Å²	72	103.2 Å²	103.2	38%	0.377	52%	0.517	S	S	.	.	H	α-helix	trans	-68.7	-40.8	175.4	-68.9	160.1	0	0	0	112.1	K70 V71 N72 L303	K70-L74 VanDerWaalsContact O-CD1 3.29Å; K70-L74 WeakPolarHBondContact O-CD1 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3.05Å; K70-L74 PolarHBondContact O-N 2.75Å; V71-L74 WeakPolarHBondContact O-CB 3.11Å; V71-L74 PolarHBondContact O-N 3.39Å; N72-L74 PolarHBondContact O-N 2.93Å; L74-L303 HydrophobicContact CD1-CD2 3.47Å; L74-L303 VanDerWaalsContact CD1-CD2 3.47Å; L74-L303 HydrophobicContact CD2-CD2 4.34Å
75	I	48.8	Very low	49.5	Very low	94 Å²	94	107 Å²	107	48%	0.482	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-45.8	174.5	-67.8	166.2	0	0	0	110.3	V71 N72 K78	V71-I75 HydrophobicContact CG1-CD1 3.95Å; V71-I75 WeakPolarHBondContact O-CG1 3.47Å; V71-I75 PolarHBondContact O-N 3.23Å; N72-I75 PolarHBondContact O-N 2.88Å; I75-K78 WeakPolarHBondContact O-CB 3.02Å; I75-K78 PolarHBondContact O-N 3.29Å
76	N	51.7	Low	48.8	Very low	84 Å²	84	107.9 Å²	107.9	45%	0.449	54%	0.539	S	S	.	.	H	α-helix	trans	-74.3	-30.9	-175.9	-70.4	-13.6	0	0	0	113	N72 K78 Q79 N80	N72-N76 WeakPolarHBondContact O-CB 3.42Å; N72-N76 VanDerWaalsContact O-CG 3.31Å; N72-N76 PolarHBondContact O-N 2.85Å; N76-K78 PolarHBondContact O-N 3.03Å; N76-K78 VanDerWaalsContact O-N 3.14Å; N76-Q79 PolarHBondContact O-N 3.03Å; N76-N80 PolarHBondContact O-N 3.11Å
77	N	50	Low	47.8	Very low	102 Å²	102	106.6 Å²	106.6	55%	0.545	55%	0.545	S	S	.	.	H	α-helix	trans	-62	-17.7	171.2	-85.2	-27	0	0	0	112.9	E73 T81	E73-N77 WeakPolarHBondContact O-CB 3.36Å; E73-N77 PolarHBondContact O-N 3.01Å; E73-N77 PolarHBondContact O-ND2 2.69Å; N77-T81 PolarHBondContact O-OG1 3.47Å
78	K	44	Very low	47.1	Very low	121 Å²	121	111.8 Å²	111.8	53%	0.526	57%	0.571	S	S	.	*	H	α-helix	trans	-72.5	-36	166.9	-75.2	179.9	175.2	161.1	0	112.8	I75 N76 T81 E125	I75-K78 WeakPolarHBondContact O-CB 3.02Å; I75-K78 PolarHBondContact O-N 3.29Å; N76-K78 PolarHBondContact O-N 3.03Å; N76-K78 VanDerWaalsContact O-N 3.14Å; K78-T81 PolarHBondContact O-OG1 3.01Å; K78-E125 IonicContact NZ-OE2 3.87Å; K78-E125 PolarHBondContact NZ-OE2 3.48Å
79	Q	42	Very low	46.3	Very low	140 Å²	140	113.3 Å²	113.3	65%	0.654	58%	0.582	S	S	*	*	H	α-helix	trans	-72.6	-39.4	-179.1	-77.2	-176.8	-24.9	0	0	111.6	N76 T81 M82	N76-Q79 PolarHBondContact O-N 3.03Å; Q79-T81 VanDerWaalsContact C-N 3.34Å; Q79-T81 PolarHBondContact O-N 2.81Å; Q79-M82 PolarHBondContact O-N 2.9Å
80	N	42	Very low	45	Very low	109 Å²	109	117.8 Å²	117.8	58%	0.583	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-80.5	-9.8	-177.5	-69.4	-1.1	0	0	0	114.5	N76 M82	N76-N80 PolarHBondContact O-N 3.11Å; N80-M82 VanDerWaalsContact C-N 3.34Å
81	T	38.3	Very low	44.1	Very low	118 Å²	118	117.2 Å²	117.2	72%	0.724	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-90.9	2.5	173.8	44.5	0	0	0	0	113.5	N77 K78 Q79	N77-T81 PolarHBondContact O-OG1 3.47Å; K78-T81 PolarHBondContact O-OG1 3.01Å; Q79-T81 VanDerWaalsContact C-N 3.34Å; Q79-T81 PolarHBondContact O-N 2.81Å
82	M	38.3	Very low	43.4	Very low	145 Å²	145	120.4 Å²	120.4	71%	0.714	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-115	21.8	175.8	-81.4	-169.5	61.9	0	0	113.6	Q79 N80 E84	Q79-M82 PolarHBondContact O-N 2.9Å; N80-M82 VanDerWaalsContact C-N 3.34Å; M82-E84 PolarHBondContact O-N 2.85Å
83	E	38	Very low	42.5	Very low	137 Å²	137	123.8 Å²	123.8	64%	0.64	65%	0.649	S	S	*	*			trans	-74	79.8	165.5	-75.4	-176.1	158.9	0	0	109.3	D85	E83-D85 PolarHBondContact O-N 3.48Å
84	E	40.3	Very low	41.2	Very low	159 Å²	159	130.3 Å²	130.3	74%	0.743	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-62.5	-9.8	168.6	-83.5	-176.8	140.8	0	0	112.8	M82	M82-E84 PolarHBondContact O-N 2.85Å
85	D	37.8	Very low	40.5	Very low	136 Å²	136	132.4 Å²	132.4	73%	0.727	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-81.5	-21.1	-171.1	-74	-25.3	0	0	0	114.6	E83 L87	E83-D85 PolarHBondContact O-N 3.48Å; D85-L87 VanDerWaalsContact C-N 3.34Å; D85-L87 PolarHBondContact O-N 2.8Å
86	E	43.4	Very low	39.8	Very low	156 Å²	156	137.1 Å²	137.1	73%	0.729	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-77.7	-17.2	176.8	-79.4	-160.9	153.3	0	0	113.8	I88	E86-I88 PolarHBondContact O-N 3.26Å
87	L	41	Very low	38.7	Very low	145 Å²	145	141.3 Å²	141.3	76%	0.759	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-74.5	-12.8	179.1	-122.3	86.3	0	0	0	113.7	D85	D85-L87 VanDerWaalsContact C-N 3.34Å; D85-L87 PolarHBondContact O-N 2.8Å
88	I	41.1	Very low	38.1	Very low	143 Å²	143	144.5 Å²	144.5	73%	0.733	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-84.7	-13.4	-174.6	-60.5	179.2	0	0	0	112.5	E86	E86-I88 PolarHBondContact O-N 3.26Å
89	S	38.5	Very low	37.5	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	76%	0.757	S	S	*	*			trans	-108	9	-168.8	77.8	0	0	0	0	117	P91	S89-P91 VanDerWaalsContact O-CD 3.29Å; S89-P91 WeakPolarHBondContact O-CD 3.28Å
90	M	34.4	Very low	37	Very low	158 Å²	158	148.3 Å²	148.3	78%	0.778	77%	0.769	S	S	*	*			trans	-79.6	118.5	178.8	-66.7	-165.4	80.4	0	0	112
91	P	38.3	Very low	36.5	Very low	104 Å²	104	153.1 Å²	153.1	68%	0.675	79%	0.785	S	S	*	*			trans	-67.1	152.4	177.9	19.7	-19.6	0	0	0	111	S89 N93	S89-P91 VanDerWaalsContact O-CD 3.29Å; S89-P91 WeakPolarHBondContact O-CD 3.28Å; P91-N93 PolarHBondContact O-N 3Å
92	P	40.4	Very low	36.3	Very low	127 Å²	127	156.3 Å²	156.3	83%	0.825	79%	0.792	S	S	*	*			trans	-67	98.5	-172.3	27.1	-32.8	0	0	0	109.8	R94	P92-R94 PolarHBondContact O-N 3.01Å
93	N	36.7	Very low	35.9	Very low	147 Å²	147	155.1 Å²	155.1	79%	0.786	80%	0.798	S	S	*	*			trans	-57.6	135.2	161.4	-95.6	-25.2	0	0	0	107.6	P91 P95	P91-N93 PolarHBondContact O-N 3Å; N93-P95 VanDerWaalsContact O-CD 3.23Å; N93-P95 WeakPolarHBondContact O-CD 3.23Å
94	R	29.8	Very low	35.8	Very low	245 Å²	245	154 Å²	154	93%	0.925	80%	0.804	S	S	*	*			trans	-102.4	95.5	-176.6	-178.5	-169.4	-92.3	-158.3	-4.5	107.4	P92	P92-R94 PolarHBondContact O-N 3.01Å
95	P	35.9	Very low	35.6	Very low	116 Å²	116	151 Å²	151	75%	0.753	81%	0.807	S	S	*	*			trans	-101.4	144.5	173.7	4.4	20	0	0	0	110.3	N93	N93-P95 VanDerWaalsContact O-CD 3.23Å; N93-P95 WeakPolarHBondContact O-CD 3.23Å
96	Q	33.4	Very low	35.2	Very low	193 Å²	193	153 Å²	153	90%	0.902	82%	0.817	S	S	*	*			trans	-62.4	149.1	-174.7	-69.2	174.2	-20.9	0	0	112.9	N98	Q96-N98 PolarHBondContact O-N 3.18Å
97	M	30.3	Very low	34.8	Very low	171 Å²	171	150.1 Å²	150.1	84%	0.842	81%	0.814	S	S	*	*			trans	-45.6	126.6	170.4	-66.3	165.2	67.6	0	0	111.6
98	N	36.4	Very low	34.2	Very low	169 Å²	169	154.4 Å²	154.4	90%	0.904	82%	0.82	S	S	*	*			trans	-148.7	114.8	139.9	-92.4	-30.7	0	0	0	109	Q96	Q96-N98 PolarHBondContact O-N 3.18Å
99	A	30.6	Very low	33.8	Very low	101 Å²	101	158.1 Å²	158.1	84%	0.835	83%	0.825	S	S	*	*			trans	-73.3	128.3	176	0	0	0	0	0	109.7
100	R	33.1	Very low	33.6	Very low	240 Å²	240	162.5 Å²	162.5	91%	0.906	84%	0.835	S	S	*	*			trans	-144.1	118.5	148.5	-109.8	177.1	-173.6	-175.1	1.1	109.7	E102	R100-E102 PolarHBondContact O-N 2.83Å
101	K	31.3	Very low	33.8	Very low	211 Å²	211	158.9 Å²	158.9	92%	0.917	83%	0.83	S	S	*	*			trans	-65.4	117.8	170.5	-72.3	173.1	172.2	178	0	108.2
102	E	34.1	Very low	33.8	Very low	185 Å²	185	159.2 Å²	159.2	86%	0.864	83%	0.832	S	S	*	*			trans	-128.9	105.1	155.1	-76.1	-172.2	177.4	0	0	108.6	R100	R100-E102 PolarHBondContact O-N 2.83Å
103	S	28.6	Very low	33.7	Very low	120 Å²	120	157.6 Å²	157.6	84%	0.839	82%	0.816	S	S	*	*			trans	-88.4	113.1	166.7	54.6	0	0	0	0	108.4
104	S	37.4	Very low	34.1	Very low	112 Å²	112	153.6 Å²	153.6	78%	0.783	80%	0.798	S	S	*	*			trans	-159	114.6	153.8	66.3	0	0	0	0	112.4
105	A	34.8	Very low	34.8	Very low	97 Å²	97	147.7 Å²	147.7	80%	0.802	79%	0.785	S	S	*	*			trans	42.1	99.4	144.8	0	0	0	0	0	118.8	S107	A105-S107 PolarHBondContact O-N 2.97Å
106	L	30.1	Very low	35.3	Very low	178 Å²	178	149.4 Å²	149.4	93%	0.932	78%	0.783	S	S	*	*			trans	-58	95.7	154.3	-88.9	88.9	0	0	0	110
107	S	34.6	Very low	35.6	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	76%	0.764	S	S	*	*			trans	-90.7	106.9	157.9	-177.4	0	0	0	0	108	A105 R109	A105-S107 PolarHBondContact O-N 2.97Å; S107-R109 VanDerWaalsContact C-N 3.33Å; S107-R109 PolarHBondContact O-N 3.43Å
108	R	29.3	Very low	36.2	Very low	235 Å²	235	140.4 Å²	140.4	89%	0.887	74%	0.743	S	S	*	*			trans	-56.9	94.3	166.4	-68.3	178.7	-161.9	174.5	4.4	108.8
109	R	31.9	Very low	36.8	Very low	222 Å²	222	136 Å²	136	84%	0.838	72%	0.722	S	S	*	*			trans	-105.7	90.2	155.8	-73.5	-169.8	-173.1	-158.9	2.4	106.3	S107 A111	S107-R109 VanDerWaalsContact C-N 3.33Å; S107-R109 PolarHBondContact O-N 3.43Å; R109-A111 PolarHBondContact O-N 3.3Å
110	Q	33.8	Very low	37.5	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	70%	0.703	S	S	*	*			trans	-61.8	93.5	149.9	-76.4	170	-47.1	0	0	104.5	P112	Q110-P112 WeakPolarHBondContact O-CD 3.31Å
111	A	39	Very low	38	Very low	82 Å²	82	126 Å²	126	68%	0.678	67%	0.672	S	S	*	*			trans	-76.6	108.3	161	0	0	0	0	0	104.6	R109 L113	R109-A111 PolarHBondContact O-N 3.3Å; A111-L113 PolarHBondContact O-N 3.19Å
112	P	37.9	Very low	38.7	Very low	111 Å²	111	121.7 Å²	121.7	72%	0.721	65%	0.653	S	S	*	*			trans	-60.6	133	168.3	-9.3	26.6	0	0	0	106	Q110	Q110-P112 WeakPolarHBondContact O-CD 3.31Å
113	L	39.7	Very low	39.5	Very low	94 Å²	94	116.9 Å²	116.9	49%	0.492	63%	0.633	S	S	.	*			trans	-44.3	129	160.8	-76.8	143.5	0	0	0	106.9	A111 D115 I118 I318	A111-L113 PolarHBondContact O-N 3.19Å; L113-D115 VanDerWaalsContact C-N 3.26Å; L113-D115 PolarHBondContact O-N 3.2Å; L113-I118 HydrophobicContact CD2-CD1 4.48Å; L113-I318 HydrophobicContact CD2-CD1 4.34Å
114	P	44.6	Very low	40.2	Very low	63 Å²	63	115.4 Å²	115.4	41%	0.409	62%	0.615	S	S	.	*			trans	-66	96.2	175.9	-9.3	22.7	0	0	0	106.7	Q116 D117	P114-Q116 PolarHBondContact O-N 2.92Å; P114-D117 PolarHBondContact O-N 3.15Å
115	D	44.3	Very low	40.6	Very low	121 Å²	121	113.6 Å²	113.6	65%	0.647	59%	0.594	S	S	*	*	H	α-helix	trans	-49.6	-27.4	178.9	-82.5	-31.4	0	0	0	111.4	L113 D117 V119	L113-D115 VanDerWaalsContact C-N 3.26Å; L113-D115 PolarHBondContact O-N 3.2Å; D115-D117 PolarHBondContact O-N 2.82Å; D115-V119 VanDerWaalsContact O-CB 3.27Å; D115-V119 WeakPolarHBondContact O-CB 3.18Å; D115-V119 WeakPolarHBondContact O-CG2 3.38Å; D115-V119 PolarHBondContact O-N 3.4Å
116	Q	46.1	Very low	41.4	Very low	152 Å²	152	115.2 Å²	115.2	71%	0.71	59%	0.586	S	S	*	*	H	α-helix	trans	-57	-44.3	174.4	-96	178	-26.3	0	0	113.9	P114 V119 I120	P114-Q116 PolarHBondContact O-N 2.92Å; Q116-V119 PolarHBondContact O-N 3.4Å; Q116-I120 HydrophobicContact CB-CD1 4.39Å; Q116-I120 VanDerWaalsContact O-CB 3.24Å; Q116-I120 WeakPolarHBondContact O-CB 3.42Å; Q116-I120 VanDerWaalsContact O-CD1 3.3Å; Q116-I120 WeakPolarHBondContact O-CD1 3.41Å; Q116-I120 WeakPolarHBondContact O-CG1 3.44Å; Q116-I120 PolarHBondContact O-N 3.46Å
117	D	40.1	Very low	42.5	Very low	94 Å²	94	111 Å²	111	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-72.4	-38.7	-174.8	-74.8	-20.4	0	0	0	111.6	P114 D115 I120 I121	P114-D117 PolarHBondContact O-N 3.15Å; D115-D117 PolarHBondContact O-N 2.82Å; D117-I120 PolarHBondContact O-N 3.31Å; D117-I121 WeakPolarHBondContact O-CB 3.26Å; D117-I121 WeakPolarHBondContact O-CD1 3.47Å; D117-I121 WeakPolarHBondContact O-CG1 3.43Å; D117-I121 PolarHBondContact O-N 3.07Å
118	I	42	Very low	43.3	Very low	80 Å²	80	110.3 Å²	110.3	41%	0.41	55%	0.55	S	S	.	*	H	α-helix	trans	-66.3	-42	175.5	-62.6	176.6	0	0	0	110.5	L113 I121 K122	L113-I118 HydrophobicContact CD2-CD1 4.48Å; I118-I121 PolarHBondContact O-N 3.45Å; I118-K122 PolarHBondContact O-N 2.83Å
119	V	50	Low	44.3	Very low	76 Å²	76	101.2 Å²	101.2	46%	0.461	53%	0.526	S	S	.	.	H	α-helix	trans	-67.5	-40.2	177.5	170.9	0	0	0	0	111.1	D115 Q116 K122 N123	D115-V119 VanDerWaalsContact O-CB 3.27Å; D115-V119 WeakPolarHBondContact O-CB 3.18Å; D115-V119 WeakPolarHBondContact O-CG2 3.38Å; D115-V119 PolarHBondContact O-N 3.4Å; Q116-V119 PolarHBondContact O-N 3.4Å; V119-K122 PolarHBondContact O-N 2.86Å; V119-N123 VanDerWaalsContact O-CB 3.24Å; V119-N123 WeakPolarHBondContact O-CB 3.21Å; V119-N123 PolarHBondContact O-N 3.45Å; V119-N123 PolarHBondContact O-ND2 3.46Å
120	I	44.9	Very low	45.5	Very low	85 Å²	85	94.1 Å²	94.1	44%	0.436	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-42.9	175.5	-71.5	163.2	0	0	0	110	Q116 D117 N123 L124	Q116-I120 HydrophobicContact CB-CD1 4.39Å; Q116-I120 VanDerWaalsContact O-CB 3.24Å; Q116-I120 WeakPolarHBondContact O-CB 3.42Å; Q116-I120 VanDerWaalsContact O-CD1 3.3Å; Q116-I120 WeakPolarHBondContact O-CD1 3.41Å; Q116-I120 WeakPolarHBondContact O-CG1 3.44Å; Q116-I120 PolarHBondContact O-N 3.46Å; D117-I120 PolarHBondContact O-N 3.31Å; I120-N123 PolarHBondContact O-N 3.33Å; I120-L124 HydrophobicContact CG2-CD1 3.61Å; I120-L124 HydrophobicContact CG2-CG 4.24Å; I120-L124 VanDerWaalsContact O-CB 3.31Å; I120-L124 WeakPolarHBondContact O-CB 3.48Å; I120-L124 WeakPolarHBondContact O-CG 3.26Å; I120-L124 PolarHBondContact O-N 2.85Å
121	I	43.5	Very low	46.6	Very low	48 Å²	48	90 Å²	90	25%	0.246	49%	0.494	C	S	.	.	H	α-helix	trans	-64.4	-48.9	177.2	-68.1	165.5	0	0	0	111	D117 I118 N123 L124 E125	D117-I121 WeakPolarHBondContact O-CB 3.26Å; D117-I121 WeakPolarHBondContact O-CD1 3.47Å; D117-I121 WeakPolarHBondContact O-CG1 3.43Å; D117-I121 PolarHBondContact O-N 3.07Å; I118-I121 PolarHBondContact O-N 3.45Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.09Å; I121-L124 PolarHBondContact O-N 2.83Å; I121-E125 HydrophobicContact CG2-CG 4.34Å; I121-E125 WeakPolarHBondContact O-CB 3.4Å; I121-E125 WeakPolarHBondContact O-CG 3.36Å; I121-E125 PolarHBondContact O-N 3.37Å
122	K	46.9	Very low	47	Very low	120 Å²	120	86.4 Å²	86.4	52%	0.522	46%	0.463	S	S	.	.	H	α-helix	trans	-58.7	-43.6	176.4	-87.1	-172.4	171.2	-175.4	0	112.1	I118 V119 E125 E126	I118-K122 PolarHBondContact O-N 2.83Å; V119-K122 PolarHBondContact O-N 2.86Å; K122-E125 PolarHBondContact O-N 3.33Å; K122-E126 PolarHBondContact O-N 3.21Å
123	N	49.1	Very low	47.8	Very low	83 Å²	83	85.3 Å²	85.3	44%	0.444	45%	0.451	S	S	.	.	H	α-helix	trans	-68.5	-34.2	178.3	-86.3	-32.6	0	0	0	113	V119 I120 I121 N127	V119-N123 VanDerWaalsContact O-CB 3.24Å; V119-N123 WeakPolarHBondContact O-CB 3.21Å; V119-N123 PolarHBondContact O-N 3.45Å; V119-N123 PolarHBondContact O-ND2 3.46Å; I120-N123 PolarHBondContact O-N 3.33Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.09Å; N123-N127 VanDerWaalsContact O-CB 3.29Å; N123-N127 WeakPolarHBondContact O-CB 3.44Å; N123-N127 PolarHBondContact O-N 2.82Å; N123-N127 PolarHBondContact O-ND2 3.34Å
124	L	43.1	Very low	48.9	Very low	89 Å²	89	83.3 Å²	83.3	47%	0.466	45%	0.448	S	S	.	.	H	α-helix	trans	-71	-41.1	175.4	-75.6	168.3	0	0	0	111.1	I120 I121 Q128	I120-L124 HydrophobicContact CG2-CD1 3.61Å; I120-L124 HydrophobicContact CG2-CG 4.24Å; I120-L124 VanDerWaalsContact O-CB 3.31Å; I120-L124 WeakPolarHBondContact O-CB 3.48Å; I120-L124 WeakPolarHBondContact O-CG 3.26Å; I120-L124 PolarHBondContact O-N 2.85Å; I121-L124 PolarHBondContact O-N 2.83Å; L124-Q128 VanDerWaalsContact O-CB 3.29Å; L124-Q128 WeakPolarHBondContact O-CB 3.44Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3Å
125	E	46.6	Very low	49.2	Very low	74 Å²	74	83.1 Å²	83.1	35%	0.346	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-51	178.9	-75	-178.7	162.4	0	0	112	K78 I121 K122 A129	K78-E125 IonicContact NZ-OE2 3.87Å; K78-E125 PolarHBondContact NZ-OE2 3.48Å; I121-E125 HydrophobicContact CG2-CG 4.34Å; I121-E125 WeakPolarHBondContact O-CB 3.4Å; I121-E125 WeakPolarHBondContact O-CG 3.36Å; I121-E125 PolarHBondContact O-N 3.37Å; K122-E125 PolarHBondContact O-N 3.33Å; E125-A129 WeakPolarHBondContact O-CB 3.49Å; E125-A129 PolarHBondContact O-N 3.04Å
126	E	50.7	Low	49.5	Very low	132 Å²	132	78.5 Å²	78.5	62%	0.617	41%	0.414	S	S	*	.	H	α-helix	trans	-71.1	-41.7	-174.8	-74.1	178.8	178.7	0	0	112.4	K122 S130	K122-E126 PolarHBondContact O-N 3.21Å; E126-S130 VanDerWaalsContact O-CB 3.27Å; E126-S130 WeakPolarHBondContact O-CB 3.49Å; E126-S130 PolarHBondContact O-N 3.38Å
127	N	53.5	Low	50.1	Low	90 Å²	90	75.4 Å²	75.4	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-78.4	-41.8	-175	-64.1	-49.6	0	0	0	112.5	N123 S130 D131	N123-N127 VanDerWaalsContact O-CB 3.29Å; N123-N127 WeakPolarHBondContact O-CB 3.44Å; N123-N127 PolarHBondContact O-N 2.82Å; N123-N127 PolarHBondContact O-ND2 3.34Å; N127-S130 PolarHBondContact O-N 2.96Å; N127-D131 PolarHBondContact O-N 2.87Å; N127-D131 VanDerWaalsContact O-N 3.1Å
128	Q	52.2	Low	51.2	Low	79 Å²	79	76 Å²	76	37%	0.369	40%	0.399	S	S	.	.	H	α-helix	trans	-72.5	-36.2	-178.2	-65.8	-164.8	-10.5	0	0	112.7	L124 L132 M299	L124-Q128 VanDerWaalsContact O-CB 3.29Å; L124-Q128 WeakPolarHBondContact O-CB 3.44Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3Å; Q128-L132 WeakPolarHBondContact O-CB 3.23Å; Q128-L132 PolarHBondContact O-N 3.41Å; Q128-L132 VanDerWaalsContact O-N 3.15Å; Q128-M299 HydrophobicContact CB-SD 4.42Å
129	A	50	Low	51.6	Low	45 Å²	45	73 Å²	73	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-41.6	175.8	0	0	0	0	0	111.3	E125 L132 L133	E125-A129 WeakPolarHBondContact O-CB 3.49Å; E125-A129 PolarHBondContact O-N 3.04Å; A129-L132 PolarHBondContact O-N 3.18Å; A129-L133 WeakPolarHBondContact O-CB 3.28Å; A129-L133 PolarHBondContact O-N 3.23Å
130	S	57.6	Low	51.9	Low	73 Å²	73	72.1 Å²	72.1	51%	0.51	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-46.2	178.8	-172.5	0	0	0	0	112.3	E126 N127 L132 L133 A134	E126-S130 VanDerWaalsContact O-CB 3.27Å; E126-S130 WeakPolarHBondContact O-CB 3.49Å; E126-S130 PolarHBondContact O-N 3.38Å; N127-S130 PolarHBondContact O-N 2.96Å; S130-L132 VanDerWaalsContact C-N 3.32Å; S130-L132 PolarHBondContact O-N 2.87Å; S130-L133 PolarHBondContact O-N 3.48Å; S130-A134 WeakPolarHBondContact O-CB 3.42Å; S130-A134 PolarHBondContact O-N 3.14Å
131	D	57.1	Low	52.9	Low	99 Å²	99	74.2 Å²	74.2	53%	0.529	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-38.6	178.1	-77.3	-14.3	0	0	0	112.3	N127 Y135	N127-D131 PolarHBondContact O-N 2.87Å; N127-D131 VanDerWaalsContact O-N 3.1Å; D131-Y135 WeakPolarHBondContact O-CB 3.41Å; D131-Y135 PolarHBondContact O-N 3.43Å
132	L	47.4	Very low	53.6	Low	6 Å²	6	77.1 Å²	77.1	3%	0.031	40%	0.395	C	S	.	.	H	α-helix	trans	-70.1	-43.3	177.8	-168.8	71	0	0	0	111.1	L67 Q128 A129 S130 A134 Y135 M136 R295 M299	L67-L132 HydrophobicContact CD2-CD2 3.86Å; Q128-L132 WeakPolarHBondContact O-CB 3.23Å; Q128-L132 PolarHBondContact O-N 3.41Å; Q128-L132 VanDerWaalsContact O-N 3.15Å; A129-L132 PolarHBondContact O-N 3.18Å; S130-L132 VanDerWaalsContact C-N 3.32Å; S130-L132 PolarHBondContact O-N 2.87Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 2.86Å; L132-Y135 PolarHBondContact O-N 3.4Å; L132-M136 HydrophobicContact CG-CE 4.33Å; L132-M136 HydrophobicContact CG-CG 4.41Å; L132-M136 HydrophobicContact CG-SD 4.35Å; L132-M136 WeakPolarHBondContact O-CB 3.36Å; L132-M136 VanDerWaalsContact O-CG 3.26Å; L132-M136 WeakPolarHBondContact O-CG 3.49Å; L132-M136 PolarHBondContact O-N 2.94Å; L132-R295 HydrophobicContact CD1-CG 4.16Å; L132-M299 HydrophobicContact CD2-CE 3.84Å
133	L	54.9	Low	53.8	Low	89 Å²	89	73.2 Å²	73.2	47%	0.466	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-45.4	175.4	-156.3	87.7	0	0	0	110.5	A129 S130 M136 E137	A129-L133 WeakPolarHBondContact O-CB 3.28Å; A129-L133 PolarHBondContact O-N 3.23Å; S130-L133 PolarHBondContact O-N 3.48Å; L133-M136 HydrophobicContact CD1-CE 4.41Å; L133-M136 PolarHBondContact O-N 2.76Å; L133-E137 WeakPolarHBondContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CG 3.33Å; L133-E137 PolarHBondContact O-N 3.48Å
134	A	61.5	Low	54.4	Low	52 Å²	52	73.6 Å²	73.6	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-42.9	177.8	0	0	0	0	0	112.5	S130 L132 Q138	S130-A134 WeakPolarHBondContact O-CB 3.42Å; S130-A134 PolarHBondContact O-N 3.14Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 2.86Å; A134-Q138 VanDerWaalsContact O-CB 3.29Å; A134-Q138 WeakPolarHBondContact O-CB 3.04Å; A134-Q138 PolarHBondContact O-N 2.71Å
135	Y	51.1	Low	55.3	Low	59 Å²	59	76 Å²	76	23%	0.231	39%	0.385	C	S	.	.	H	α-helix	trans	-66.2	-39.8	176.3	-175.4	-103.9	0	0	0	112	D131 L132 Q138 S139 R291 V292	D131-Y135 WeakPolarHBondContact O-CB 3.41Å; D131-Y135 PolarHBondContact O-N 3.43Å; L132-Y135 PolarHBondContact O-N 3.4Å; Y135-Q138 PolarHBondContact O-N 2.88Å; Y135-S139 PolarHBondContact O-N 3.1Å; Y135-R291 VanDerWaalsContact OH-CZ 3.27Å; Y135-R291 PolarHBondContact OH-NH1 2.94Å; Y135-R291 PolarHBondContact OH-NH2 3.12Å; Y135-R291 VanDerWaalsContact OH-NH2 3.1Å; Y135-V292 HydrophobicContact CE1-CG2 4.17Å
136	M	50.2	Low	55.5	Low	23 Å²	23	73 Å²	73	11%	0.113	37%	0.374	C	S	.	.	H	α-helix	trans	-66.7	-47.8	176.6	-72.8	-168.4	-51.6	0	0	111.5	N64 L67 L132 L133 Q138 S139 E140	N64-M136 VanDerWaalsContact OD1-CE 3.32Å; N64-M136 WeakPolarHBondContact OD1-CE 3.23Å; L67-M136 HydrophobicContact CD2-CE 4.2Å; L132-M136 HydrophobicContact CG-CE 4.33Å; L132-M136 HydrophobicContact CG-CG 4.41Å; L132-M136 HydrophobicContact CG-SD 4.35Å; L132-M136 WeakPolarHBondContact O-CB 3.36Å; L132-M136 VanDerWaalsContact O-CG 3.26Å; L132-M136 WeakPolarHBondContact O-CG 3.49Å; L132-M136 PolarHBondContact O-N 2.94Å; L133-M136 HydrophobicContact CD1-CE 4.41Å; L133-M136 PolarHBondContact O-N 2.76Å; M136-Q138 PolarHBondContact O-N 2.69Å; M136-S139 PolarHBondContact O-N 2.79Å; M136-S139 VanDerWaalsContact O-N 3.07Å; M136-S139 PolarHBondContact O-OG 2.98Å; M136-E140 PolarHBondContact O-N 3.2Å
137	E	60.2	Low	55.9	Low	88 Å²	88	69 Å²	69	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-58.3	-37.4	173.9	-77.4	-176.3	-172.2	0	0	112	L133 K141	L133-E137 WeakPolarHBondContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CG 3.33Å; L133-E137 PolarHBondContact O-N 3.48Å; E137-K141 WeakPolarHBondContact O-CB 3.45Å; E137-K141 VanDerWaalsContact O-CG 3.25Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.83Å; E137-K141 IonicContact OE2-NZ 3.15Å
138	Q	62.6	Low	56.4	Low	105 Å²	105	69.7 Å²	69.7	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-42.7	175.6	-174.4	179.5	12.2	0	0	111.4	A134 Y135 M136 K141 Q142	A134-Q138 VanDerWaalsContact O-CB 3.29Å; A134-Q138 WeakPolarHBondContact O-CB 3.04Å; A134-Q138 PolarHBondContact O-N 2.71Å; Y135-Q138 PolarHBondContact O-N 2.88Å; M136-Q138 PolarHBondContact O-N 2.69Å; Q138-K141 PolarHBondContact O-N 2.92Å; Q138-Q142 WeakPolarHBondContact O-CG 3.23Å; Q138-Q142 PolarHBondContact O-N 2.67Å
139	S	51.5	Low	56.8	Low	19 Å²	19	69.7 Å²	69.7	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-41.2	176.5	73.3	0	0	0	0	112	Y135 M136 Q142 I143	Y135-S139 PolarHBondContact O-N 3.1Å; M136-S139 PolarHBondContact O-N 2.79Å; M136-S139 VanDerWaalsContact O-N 3.07Å; M136-S139 PolarHBondContact O-OG 2.98Å; S139-Q142 PolarHBondContact O-N 3.4Å; S139-I143 VanDerWaalsContact O-CG1 3.32Å; S139-I143 WeakPolarHBondContact O-CG1 3.31Å; S139-I143 PolarHBondContact O-N 2.84Å
140	E	55.4	Low	57.1	Low	57 Å²	57	68.2 Å²	68.2	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-48.1	175.4	-174.5	171.7	-158.1	0	0	110.8	M136 Q142 I143 E144	M136-E140 PolarHBondContact O-N 3.2Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.05Å; E140-I143 PolarHBondContact O-N 2.82Å; E140-I143 VanDerWaalsContact O-N 3.13Å; E140-E144 WeakPolarHBondContact O-CG 3.27Å; E140-E144 PolarHBondContact O-N 3.25Å
141	K	66.2	Low	57.4	Low	129 Å²	129	68.6 Å²	68.6	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-59.7	-37.2	175.9	-75.7	169.2	-176.1	161	0	113	E137 Q138 K145	E137-K141 WeakPolarHBondContact O-CB 3.45Å; E137-K141 VanDerWaalsContact O-CG 3.25Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.83Å; E137-K141 IonicContact OE2-NZ 3.15Å; Q138-K141 PolarHBondContact O-N 2.92Å; K141-K145 VanDerWaalsContact O-CB 3.29Å; K141-K145 WeakPolarHBondContact O-CB 3.34Å; K141-K145 PolarHBondContact O-N 2.85Å
142	Q	56.9	Low	57.5	Low	108 Å²	108	69.5 Å²	69.5	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-42.5	176.2	-75.2	-179.3	2.7	0	0	111.5	Q138 S139 E140 K145 A146	Q138-Q142 WeakPolarHBondContact O-CG 3.23Å; Q138-Q142 PolarHBondContact O-N 2.67Å; S139-Q142 PolarHBondContact O-N 3.4Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.05Å; Q142-K145 PolarHBondContact O-N 2.93Å; Q142-A146 PolarHBondContact O-N 2.87Å; Q142-A146 VanDerWaalsContact O-N 3.08Å
143	I	51.3	Low	57.8	Low	38 Å²	38	71.2 Å²	71.2	20%	0.195	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-46.9	177.4	-65.6	165.7	0	0	0	110.8	L57 L60 S139 E140 K145 A146 L147 L285	L57-I143 HydrophobicContact CD1-CG2 4.13Å; L57-I143 HydrophobicContact CD2-CG2 4.46Å; L60-I143 HydrophobicContact CD1-CD1 4.03Å; S139-I143 VanDerWaalsContact O-CG1 3.32Å; S139-I143 WeakPolarHBondContact O-CG1 3.31Å; S139-I143 PolarHBondContact O-N 2.84Å; E140-I143 PolarHBondContact O-N 2.82Å; E140-I143 VanDerWaalsContact O-N 3.13Å; I143-K145 VanDerWaalsContact C-N 3.29Å; I143-K145 PolarHBondContact O-N 2.81Å; I143-A146 PolarHBondContact O-N 3.13Å; I143-A146 VanDerWaalsContact O-N 3.15Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 PolarHBondContact O-N 2.95Å; I143-L285 HydrophobicContact CD1-CD2 4.28Å
144	E	61.4	Low	58	Low	92 Å²	92	67.7 Å²	67.7	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-41.2	176.5	-76	-171	153.4	0	0	112.1	E140 L147 N148	E140-E144 WeakPolarHBondContact O-CG 3.27Å; E140-E144 PolarHBondContact O-N 3.25Å; E144-L147 PolarHBondContact O-N 3.13Å; E144-N148 WeakPolarHBondContact O-CB 3.31Å; E144-N148 PolarHBondContact O-N 3.14Å; E144-N148 PolarHBondContact O-ND2 3.41Å; E144-N148 VanDerWaalsContact O-ND2 3.15Å
145	K	62.7	Low	58.2	Low	138 Å²	138	71.3 Å²	71.3	60%	0.6	34%	0.335	S	S	*	.	H	α-helix	trans	-62.4	-44.7	176.3	-175.2	-179.2	179.6	-177.3	0	111.4	K141 Q142 I143 Q149	K141-K145 VanDerWaalsContact O-CB 3.29Å; K141-K145 WeakPolarHBondContact O-CB 3.34Å; K141-K145 PolarHBondContact O-N 2.85Å; Q142-K145 PolarHBondContact O-N 2.93Å; I143-K145 VanDerWaalsContact C-N 3.29Å; I143-K145 PolarHBondContact O-N 2.81Å; K145-Q149 WeakPolarHBondContact O-CG 3.42Å; K145-Q149 PolarHBondContact O-N 2.93Å
146	A	51.6	Low	58.7	Low	13 Å²	13	73.1 Å²	73.1	11%	0.107	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-42.4	176.2	0	0	0	0	0	111.5	Q142 I143 Q149 T150 Y281	Q142-A146 PolarHBondContact O-N 2.87Å; Q142-A146 VanDerWaalsContact O-N 3.08Å; I143-A146 PolarHBondContact O-N 3.13Å; I143-A146 VanDerWaalsContact O-N 3.15Å; A146-Q149 PolarHBondContact O-N 3.06Å; A146-T150 PolarHBondContact O-N 2.89Å; A146-T150 PolarHBondContact O-OG1 2.77Å; A146-Y281 HydrophobicContact CB-CD2 4.29Å; A146-Y281 HydrophobicContact CB-CE2 4.21Å
147	L	58.2	Low	59	Low	48 Å²	48	72.9 Å²	72.9	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-45.8	177.5	-166.3	76.9	0	0	0	111.8	R50 I143 E144 Q149 T150 H151	R50-L147 HydrophobicContact CG-CD1 3.98Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 PolarHBondContact O-N 2.95Å; E144-L147 PolarHBondContact O-N 3.13Å; L147-Q149 PolarHBondContact O-N 3.08Å; L147-T150 WeakPolarHBondContact O-CB 3.25Å; L147-T150 PolarHBondContact O-N 3.43Å; L147-T150 VanDerWaalsContact O-N 3.16Å; L147-H151 PolarHBondContact O-N 2.75Å
148	N	65.2	Low	59.3	Low	104 Å²	104	72.2 Å²	72.2	56%	0.556	34%	0.343	S	S	*	.	H	α-helix	trans	-63.4	-40.6	177.5	-78.6	-37.3	0	0	0	112.4	E144 T150 H151 F152	E144-N148 WeakPolarHBondContact O-CB 3.31Å; E144-N148 PolarHBondContact O-N 3.14Å; E144-N148 PolarHBondContact O-ND2 3.41Å; E144-N148 VanDerWaalsContact O-ND2 3.15Å; N148-T150 VanDerWaalsContact C-N 3.32Å; N148-H151 PolarHBondContact O-N 2.81Å; N148-F152 WeakPolarHBondContact O-CB 3.37Å; N148-F152 PolarHBondContact O-N 3.04Å
149	Q	59.9	Low	59.3	Low	79 Å²	79	74 Å²	74	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-44	172.8	-75.5	-177.8	-8.5	0	0	110.9	K145 A146 L147 F152 L153	K145-Q149 WeakPolarHBondContact O-CG 3.42Å; K145-Q149 PolarHBondContact O-N 2.93Å; A146-Q149 PolarHBondContact O-N 3.06Å; L147-Q149 PolarHBondContact O-N 3.08Å; Q149-F152 PolarHBondContact O-N 3.29Å; Q149-L153 WeakPolarHBondContact O-CB 3.31Å; Q149-L153 WeakPolarHBondContact O-CD1 3.48Å; Q149-L153 WeakPolarHBondContact O-CG 3.36Å; Q149-L153 PolarHBondContact O-N 2.96Å
150	T	55.5	Low	59.6	Low	14 Å²	14	76 Å²	76	9%	0.086	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-44.2	178.3	-46.1	0	0	0	0	111.6	A146 L147 N148 L153 E154 L278	A146-T150 PolarHBondContact O-N 2.89Å; A146-T150 PolarHBondContact O-OG1 2.77Å; L147-T150 WeakPolarHBondContact O-CB 3.25Å; L147-T150 PolarHBondContact O-N 3.43Å; L147-T150 VanDerWaalsContact O-N 3.16Å; N148-T150 VanDerWaalsContact C-N 3.32Å; T150-L153 WeakPolarHBondContact O-CB 3.38Å; T150-L153 PolarHBondContact O-N 3Å; T150-E154 PolarHBondContact O-N 2.87Å; T150-L278 HydrophobicContact CG2-CD1 4.05Å; T150-L278 HydrophobicContact CG2-CD2 4.24Å
151	H	64.2	Low	59.8	Low	81 Å²	81	77.1 Å²	77.1	38%	0.375	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.3	-177.3	58.1	0	0	0	113	L147 N148 L153 E154 K155	L147-H151 PolarHBondContact O-N 2.75Å; N148-H151 PolarHBondContact O-N 2.81Å; H151-L153 PolarHBondContact O-N 2.91Å; H151-E154 PolarHBondContact O-N 2.77Å; H151-K155 WeakPolarHBondContact NE2-CE 3.5Å; H151-K155 PolarHBondContact O-N 2.6Å
152	F	59.2	Low	59.8	Low	117 Å²	117	72.8 Å²	72.8	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-38.1	175.5	175.5	-109	0	0	0	111.8	N148 Q149 K156	N148-F152 WeakPolarHBondContact O-CB 3.37Å; N148-F152 PolarHBondContact O-N 3.04Å; Q149-F152 PolarHBondContact O-N 3.29Å; F152-K156 HydrophobicContact CD1-CD 4.44Å; F152-K156 HydrophobicContact CE1-CD 3.96Å; F152-K156 HydrophobicContact CZ-CD 4.2Å; F152-K156 PolarHBondContact O-N 3.48Å; F152-K156 VanDerWaalsContact O-N 3.11Å
153	L	54	Low	60.1	Low	42 Å²	42	69.6 Å²	69.6	22%	0.22	33%	0.329	C	S	.	.	H	α-helix	trans	-71.4	-42.4	177.4	-71.5	166.3	0	0	0	112.2	Q149 T150 H151 K155 K156 V157 I274	Q149-L153 WeakPolarHBondContact O-CB 3.31Å; Q149-L153 WeakPolarHBondContact O-CD1 3.48Å; Q149-L153 WeakPolarHBondContact O-CG 3.36Å; Q149-L153 PolarHBondContact O-N 2.96Å; T150-L153 WeakPolarHBondContact O-CB 3.38Å; T150-L153 PolarHBondContact O-N 3Å; H151-L153 PolarHBondContact O-N 2.91Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3Å; L153-K156 WeakPolarHBondContact O-CB 2.97Å; L153-K156 PolarHBondContact O-N 3.38Å; L153-K156 VanDerWaalsContact O-N 3.12Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.14Å; L153-I274 HydrophobicContact CB-CD1 3.93Å; L153-I274 HydrophobicContact CD1-CB 4.22Å; L153-I274 HydrophobicContact CD1-CD1 3.61Å; L153-I274 HydrophobicContact CD1-CG1 3.48Å; L153-I274 VanDerWaalsContact CD1-CG1 3.48Å; L153-I274 HydrophobicContact CD1-CG2 3.75Å; L153-I274 HydrophobicContact CD2-CD1 3.43Å; L153-I274 VanDerWaalsContact CD2-CD1 3.43Å; L153-I274 HydrophobicContact CD2-CG1 4.08Å; L153-I274 HydrophobicContact CG-CD1 3.81Å; L153-I274 HydrophobicContact CG-CG1 4.23Å
154	E	59.2	Low	60.4	Low	16 Å²	16	67.9 Å²	67.9	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-56.3	-47.5	171.2	-78.8	-175.2	172.6	0	0	111.3	K47 R50 T150 H151 K156 V157 D158	K47-E154 WeakPolarHBondContact CG-OE1 3.32Å; R50-E154 IonicContact CZ-OE1 3.43Å; R50-E154 IonicContact CZ-OE2 3.47Å; R50-E154 IonicContact NE-OE1 3.95Å; R50-E154 IonicContact NH1-OE1 3.01Å; R50-E154 IonicContact NH1-OE2 3.9Å; R50-E154 PolarHBondContact NH1-OE2 2.83Å; R50-E154 IonicContact NH2-OE2 3.89Å; T150-E154 PolarHBondContact O-N 2.87Å; H151-E154 PolarHBondContact O-N 2.77Å; E154-K156 VanDerWaalsContact C-N 3.25Å; E154-K156 PolarHBondContact O-N 3.11Å; E154-V157 CarbonylContact O-C 3.34Å; E154-V157 PolarHBondContact O-N 3.17Å; E154-V157 VanDerWaalsContact O-N 3.08Å; E154-D158 WeakPolarHBondContact O-CB 3.42Å; E154-D158 PolarHBondContact O-N 2.95Å
155	K	66.8	Low	60.5	Low	127 Å²	127	67.1 Å²	67.1	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-58.1	-39	175.9	-79.4	-174.6	173.8	179.7	0	112.4	H151 L153 Y159	H151-K155 WeakPolarHBondContact NE2-CE 3.5Å; H151-K155 PolarHBondContact O-N 2.6Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3Å; K155-Y159 WeakPolarHBondContact O-CB 3.45Å; K155-Y159 PolarHBondContact O-N 3.17Å
156	K	60.6	Low	60.7	Low	97 Å²	97	69 Å²	69	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-48.3	173.8	-81.6	-177.4	171.6	176.6	0	111	F152 L153 E154 Y159 F160	F152-K156 HydrophobicContact CD1-CD 4.44Å; F152-K156 HydrophobicContact CE1-CD 3.96Å; F152-K156 HydrophobicContact CZ-CD 4.2Å; F152-K156 PolarHBondContact O-N 3.48Å; F152-K156 VanDerWaalsContact O-N 3.11Å; L153-K156 WeakPolarHBondContact O-CB 2.97Å; L153-K156 PolarHBondContact O-N 3.38Å; L153-K156 VanDerWaalsContact O-N 3.12Å; E154-K156 VanDerWaalsContact C-N 3.25Å; E154-K156 PolarHBondContact O-N 3.11Å; K156-Y159 PolarHBondContact O-N 2.93Å; K156-F160 HydrophobicContact CB-CD2 4.37Å; K156-F160 HydrophobicContact CB-CE2 4.39Å; K156-F160 WeakPolarHBondContact O-CB 3.31Å; K156-F160 WeakPolarHBondContact O-CD2 3.29Å; K156-F160 WeakPolarHBondContact O-CG 3.46Å; K156-F160 PolarHBondContact O-N 2.97Å
157	V	57.6	Low	61.3	Low	19 Å²	19	71.8 Å²	71.8	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-50.3	178	172.2	0	0	0	0	110.9	V43 L153 E154 Y159 F160 F161 V271	V43-V157 HydrophobicContact CB-CG1 4.13Å; V43-V157 HydrophobicContact CG1-CG1 3.83Å; V43-V157 HydrophobicContact CG2-CB 4.37Å; V43-V157 HydrophobicContact CG2-CG1 3.17Å; V43-V157 HydrophobicContact CG2-CG2 4.47Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.14Å; E154-V157 CarbonylContact O-C 3.34Å; E154-V157 PolarHBondContact O-N 3.17Å; E154-V157 VanDerWaalsContact O-N 3.08Å; V157-Y159 VanDerWaalsContact C-N 3.32Å; V157-Y159 PolarHBondContact O-N 2.92Å; V157-F160 CarbonylContact O-C 3.6Å; V157-F160 PolarHBondContact O-N 3.31Å; V157-F160 VanDerWaalsContact O-N 3.12Å; V157-F161 WeakPolarHBondContact O-CB 3.37Å; V157-F161 PolarHBondContact O-N 3.49Å; V157-V271 HydrophobicContact CG2-CG2 4.23Å
158	D	65.1	Low	61.4	Low	73 Å²	73	70.3 Å²	70.3	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-41.7	-179.9	-74.5	-22.4	0	0	0	110.8	K47 E154 F160 F161 S162	K47-D158 IonicContact NZ-OD1 3.77Å; K47-D158 PolarHBondContact NZ-OD1 3.05Å; K47-D158 IonicContact NZ-OD2 3.13Å; E154-D158 WeakPolarHBondContact O-CB 3.42Å; E154-D158 PolarHBondContact O-N 2.95Å; D158-F160 PolarHBondContact O-N 2.88Å; D158-F161 PolarHBondContact O-N 3.32Å; D158-S162 WeakPolarHBondContact O-CB 3.2Å; D158-S162 PolarHBondContact O-N 2.95Å
159	Y	63.6	Low	61.4	Low	142 Å²	142	69.4 Å²	69.4	56%	0.557	32%	0.316	S	S	*	.	H	α-helix	trans	-58.8	-47.2	172.4	173.8	-98.4	0	0	0	111.6	K155 K156 V157 S162 L163	K155-Y159 WeakPolarHBondContact O-CB 3.45Å; K155-Y159 PolarHBondContact O-N 3.17Å; K156-Y159 PolarHBondContact O-N 2.93Å; V157-Y159 VanDerWaalsContact C-N 3.32Å; V157-Y159 PolarHBondContact O-N 2.92Å; Y159-S162 WeakPolarHBondContact O-CB 3.49Å; Y159-S162 PolarHBondContact O-N 3.31Å; Y159-S162 PolarHBondContact O-OG 2.94Å; Y159-L163 PolarHBondContact O-N 3.38Å
160	F	56.8	Low	61.6	Low	61 Å²	61	70.6 Å²	70.6	27%	0.268	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-39.1	179.9	-83.6	-59.6	0	0	0	113.1	K156 V157 D158 S162 L163 I164 M267	K156-F160 HydrophobicContact CB-CD2 4.37Å; K156-F160 HydrophobicContact CB-CE2 4.39Å; K156-F160 WeakPolarHBondContact O-CB 3.31Å; K156-F160 WeakPolarHBondContact O-CD2 3.29Å; K156-F160 WeakPolarHBondContact O-CG 3.46Å; K156-F160 PolarHBondContact O-N 2.97Å; V157-F160 CarbonylContact O-C 3.6Å; V157-F160 PolarHBondContact O-N 3.31Å; V157-F160 VanDerWaalsContact O-N 3.12Å; D158-F160 PolarHBondContact O-N 2.88Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 3.11Å; F160-L163 HydrophobicContact CD1-CD2 4.24Å; F160-L163 WeakPolarHBondContact O-CA 3.34Å; F160-L163 WeakPolarHBondContact O-CB 3.25Å; F160-L163 PolarHBondContact O-N 2.81Å; F160-L163 VanDerWaalsContact O-N 3.07Å; F160-I164 WeakPolarHBondContact O-CG1 3.27Å; F160-I164 PolarHBondContact O-N 2.84Å; F160-M267 HydrophobicContact CB-CE 3.5Å; F160-M267 VanDerWaalsContact CB-CE 3.5Å; F160-M267 HydrophobicContact CB-SD 3.89Å; F160-M267 HydrophobicContact CD1-CE 3.93Å; F160-M267 HydrophobicContact CD2-CE 4.48Å; F160-M267 HydrophobicContact CG-CE 3.73Å; F160-M267 HydrophobicContact CG-SD 4.48Å
161	F	61	Low	61.8	Low	81 Å²	81	70 Å²	70	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-44.8	172.8	-173.2	-93.7	0	0	0	109.9	L36 T40 V157 D158 L163 I164 Q165	L36-F161 HydrophobicContact CD2-CE2 4.14Å; L36-F161 HydrophobicContact CG-CE2 4.5Å; T40-F161 WeakPolarHBondContact OG1-CE2 3.35Å; V157-F161 WeakPolarHBondContact O-CB 3.37Å; V157-F161 PolarHBondContact O-N 3.49Å; D158-F161 PolarHBondContact O-N 3.32Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 3.37Å; F161-I164 PolarHBondContact O-N 3.4Å; F161-Q165 VanDerWaalsContact O-CB 3.25Å; F161-Q165 WeakPolarHBondContact O-CB 3.4Å; F161-Q165 PolarHBondContact O-N 2.94Å
162	S	65.8	Low	61.7	Low	38 Å²	38	69 Å²	69	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-35.9	174.4	85.9	0	0	0	0	112.6	D158 Y159 F160 R166	D158-S162 WeakPolarHBondContact O-CB 3.2Å; D158-S162 PolarHBondContact O-N 2.95Å; Y159-S162 WeakPolarHBondContact O-CB 3.49Å; Y159-S162 PolarHBondContact O-N 3.31Å; Y159-S162 PolarHBondContact O-OG 2.94Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 3.11Å; S162-R166 WeakPolarHBondContact O-CB 3.39Å; S162-R166 WeakPolarHBondContact O-CG 3.49Å; S162-R166 PolarHBondContact O-N 3.01Å
163	L	62.7	Low	62	Low	41 Å²	41	66.7 Å²	66.7	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-69.3	-47.6	177.7	-176	66.4	0	0	0	111.6	Y159 F160 F161 R166 R167	Y159-L163 PolarHBondContact O-N 3.38Å; F160-L163 HydrophobicContact CD1-CD2 4.24Å; F160-L163 WeakPolarHBondContact O-CA 3.34Å; F160-L163 WeakPolarHBondContact O-CB 3.25Å; F160-L163 PolarHBondContact O-N 2.81Å; F160-L163 VanDerWaalsContact O-N 3.07Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 3.37Å; L163-R166 PolarHBondContact O-N 2.75Å; L163-R167 WeakPolarHBondContact O-CG 3.42Å; L163-R167 PolarHBondContact O-N 2.81Å
164	I	58.7	Low	62.4	Low	2 Å²	2	66 Å²	66	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-45.7	177	-65.2	167	0	0	0	109.7	L36 F160 F161 R166 R167 L168 I260 M267	L36-I164 HydrophobicContact CD1-CB 4.22Å; L36-I164 HydrophobicContact CD1-CD1 3.92Å; L36-I164 HydrophobicContact CD1-CG2 3.43Å; L36-I164 VanDerWaalsContact CD1-CG2 3.43Å; L36-I164 HydrophobicContact CD2-CG2 4.44Å; F160-I164 WeakPolarHBondContact O-CG1 3.27Å; F160-I164 PolarHBondContact O-N 2.84Å; F161-I164 PolarHBondContact O-N 3.4Å; I164-R166 VanDerWaalsContact C-N 3.3Å; I164-R166 PolarHBondContact O-N 2.9Å; I164-R167 CarbonylContact O-C 3.53Å; I164-R167 PolarHBondContact O-N 2.97Å; I164-L168 HydrophobicContact CG2-CD1 3.73Å; I164-L168 HydrophobicContact CG2-CG 3.93Å; I164-L168 WeakPolarHBondContact O-CB 3.45Å; I164-L168 WeakPolarHBondContact O-CG 3.2Å; I164-L168 PolarHBondContact O-N 2.68Å; I164-I260 HydrophobicContact CG2-CG2 4.36Å; I164-M267 HydrophobicContact CD1-CE 3.53Å; I164-M267 HydrophobicContact CD1-SD 4.08Å; I164-M267 HydrophobicContact CG1-CE 4.43Å
165	Q	62.7	Low	62.4	Low	77 Å²	77	67.3 Å²	67.3	36%	0.36	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-41.8	178.6	-162.2	70.8	0.6	0	0	111.8	F161 L168 N169	F161-Q165 VanDerWaalsContact O-CB 3.25Å; F161-Q165 WeakPolarHBondContact O-CB 3.4Å; F161-Q165 PolarHBondContact O-N 2.94Å; Q165-L168 PolarHBondContact O-N 3.21Å; Q165-N169 WeakPolarHBondContact O-CB 3.17Å; Q165-N169 PolarHBondContact O-N 3.43Å; Q165-N169 PolarHBondContact O-ND2 3.48Å
166	R	66.9	Low	62.1	Low	176 Å²	176	68.5 Å²	68.5	66%	0.664	31%	0.312	S	S	*	.	H	α-helix	trans	-61.8	-43.7	173.5	-75.5	174	-164.1	178.8	5.9	112	S162 L163 I164 N169 Q170	S162-R166 WeakPolarHBondContact O-CB 3.39Å; S162-R166 WeakPolarHBondContact O-CG 3.49Å; S162-R166 PolarHBondContact O-N 3.01Å; L163-R166 PolarHBondContact O-N 2.75Å; I164-R166 VanDerWaalsContact C-N 3.3Å; I164-R166 PolarHBondContact O-N 2.9Å; R166-N169 PolarHBondContact O-N 3.39Å; R166-Q170 PolarHBondContact O-N 3.04Å
167	R	64.6	Low	62.2	Low	72 Å²	72	67.4 Å²	67.4	27%	0.272	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-39.8	178.3	-73.4	-171.7	176.5	179.4	6.8	112.5	L163 I164 Q170 I171 N259 I260 E263	L163-R167 WeakPolarHBondContact O-CG 3.42Å; L163-R167 PolarHBondContact O-N 2.81Å; I164-R167 CarbonylContact O-C 3.53Å; I164-R167 PolarHBondContact O-N 2.97Å; R167-Q170 WeakPolarHBondContact O-CB 3.24Å; R167-Q170 PolarHBondContact O-N 2.86Å; R167-Q170 VanDerWaalsContact O-N 3.17Å; R167-I171 WeakPolarHBondContact O-CG1 3.44Å; R167-I171 PolarHBondContact O-N 2.79Å; R167-N259 PolarHBondContact NH1-ND2 3.35Å; R167-I260 HydrophobicContact CB-CD1 3.77Å; R167-I260 HydrophobicContact CB-CG1 4.37Å; R167-E263 IonicContact CZ-OE1 3.9Å; R167-E263 IonicContact CZ-OE2 3.43Å; R167-E263 IonicContact NH1-OE1 2.65Å; R167-E263 PolarHBondContact NH1-OE1 3.22Å; R167-E263 IonicContact NH1-OE2 2.78Å; R167-E263 PolarHBondContact NH1-OE2 2.88Å; R167-E263 IonicContact NH2-OE1 3.64Å; R167-E263 PolarHBondContact NH2-OE1 2.88Å; R167-E263 IonicContact NH2-OE2 3.24Å
168	L	60.2	Low	62.2	Low	18 Å²	18	66.9 Å²	66.9	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-46.5	174	-73.4	174.4	0	0	0	111.2	M32 L36 I164 Q165 Q170 I171 D172	M32-L168 HydrophobicContact CE-CD2 3.26Å; M32-L168 HydrophobicContact SD-CD2 3.83Å; L36-L168 HydrophobicContact CD2-CD1 3.82Å; I164-L168 HydrophobicContact CG2-CD1 3.73Å; I164-L168 HydrophobicContact CG2-CG 3.93Å; I164-L168 WeakPolarHBondContact O-CB 3.45Å; I164-L168 WeakPolarHBondContact O-CG 3.2Å; I164-L168 PolarHBondContact O-N 2.68Å; Q165-L168 PolarHBondContact O-N 3.21Å; L168-Q170 VanDerWaalsContact C-N 3.25Å; L168-Q170 PolarHBondContact O-N 2.76Å; L168-I171 PolarHBondContact O-N 3.16Å; L168-D172 WeakPolarHBondContact O-CB 3.4Å; L168-D172 PolarHBondContact O-N 2.9Å
169	N	64.8	Low	61.8	Low	85 Å²	85	65.7 Å²	65.7	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-38.9	174.1	-70.7	-16	0	0	0	111.5	Q165 R166 D172 I173	Q165-N169 WeakPolarHBondContact O-CB 3.17Å; Q165-N169 PolarHBondContact O-N 3.43Å; Q165-N169 PolarHBondContact O-ND2 3.48Å; R166-N169 PolarHBondContact O-N 3.39Å; N169-D172 PolarHBondContact O-N 2.8Å; N169-I173 WeakPolarHBondContact O-CB 3.44Å; N169-I173 WeakPolarHBondContact O-CD1 3.35Å; N169-I173 WeakPolarHBondContact O-CG1 3.33Å; N169-I173 PolarHBondContact O-N 3.07Å
170	Q	64.1	Low	61.7	Low	103 Å²	103	61.9 Å²	61.9	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-41.2	176.8	-168.9	63	44.1	0	0	112.4	R166 R167 L168 I173 N174	R166-Q170 PolarHBondContact O-N 3.04Å; R167-Q170 WeakPolarHBondContact O-CB 3.24Å; R167-Q170 PolarHBondContact O-N 2.86Å; R167-Q170 VanDerWaalsContact O-N 3.17Å; L168-Q170 VanDerWaalsContact C-N 3.25Å; L168-Q170 PolarHBondContact O-N 2.76Å; Q170-I173 PolarHBondContact O-N 2.89Å; Q170-N174 WeakPolarHBondContact O-CB 3.16Å; Q170-N174 PolarHBondContact O-N 3.37Å; Q170-N174 PolarHBondContact O-ND2 2.89Å
171	I	59.3	Low	61.8	Low	2 Å²	2	62.9 Å²	62.9	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-46.3	175	-73	168.7	0	0	0	110.2	R167 L168 I173 N174 I175 I253 Q257 I260	R167-I171 WeakPolarHBondContact O-CG1 3.44Å; R167-I171 PolarHBondContact O-N 2.79Å; L168-I171 PolarHBondContact O-N 3.16Å; I171-I173 VanDerWaalsContact C-N 3.34Å; I171-I173 PolarHBondContact O-N 3.02Å; I171-N174 CarbonylContact O-C 3.32Å; I171-N174 WeakPolarHBondContact O-CA 3.12Å; I171-N174 WeakPolarHBondContact O-CB 3.02Å; I171-N174 PolarHBondContact O-N 2.97Å; I171-I175 HydrophobicContact CG2-CD1 3.66Å; I171-I175 HydrophobicContact CG2-CG1 4.21Å; I171-I175 WeakPolarHBondContact O-CG1 3.44Å; I171-I175 PolarHBondContact O-N 2.86Å; I171-I253 HydrophobicContact CG2-CG2 4.14Å; I171-Q257 HydrophobicContact CD1-CG 3.97Å; I171-I260 HydrophobicContact CD1-CD1 3.36Å
172	D	61.9	Low	61.6	Low	59 Å²	59	60.3 Å²	60.3	32%	0.316	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-42.1	178.8	-177.8	58.7	0	0	0	112	L168 N169 N174 I175 R176	L168-D172 WeakPolarHBondContact O-CB 3.4Å; L168-D172 PolarHBondContact O-N 2.9Å; N169-D172 PolarHBondContact O-N 2.8Å; D172-N174 VanDerWaalsContact C-N 3.34Å; D172-N174 PolarHBondContact O-N 3.33Å; D172-I175 PolarHBondContact O-N 2.72Å; D172-R176 WeakPolarHBondContact O-CB 3.42Å; D172-R176 WeakPolarHBondContact O-CG 3.22Å; D172-R176 PolarHBondContact O-N 2.81Å; D172-R176 IonicContact OD1-NE 3.83Å; D172-R176 IonicContact OD2-CZ 3.36Å; D172-R176 IonicContact OD2-NE 2.88Å; D172-R176 PolarHBondContact OD2-NE 3.1Å; D172-R176 IonicContact OD2-NH2 3.57Å; D172-R176 PolarHBondContact OD2-NH2 2.97Å
173	I	66.1	Low	61.1	Low	70 Å²	70	65.5 Å²	65.5	36%	0.359	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-43.7	171.4	-69.7	164.8	0	0	0	111	N169 Q170 I171 R176 N177	N169-I173 WeakPolarHBondContact O-CB 3.44Å; N169-I173 WeakPolarHBondContact O-CD1 3.35Å; N169-I173 WeakPolarHBondContact O-CG1 3.33Å; N169-I173 PolarHBondContact O-N 3.07Å; Q170-I173 PolarHBondContact O-N 2.89Å; I171-I173 VanDerWaalsContact C-N 3.34Å; I171-I173 PolarHBondContact O-N 3.02Å; I173-R176 PolarHBondContact O-N 3.26Å; I173-N177 WeakPolarHBondContact O-CB 3.4Å; I173-N177 PolarHBondContact O-N 2.82Å; I173-N177 PolarHBondContact O-ND2 2.92Å
174	N	62.1	Low	60.7	Low	26 Å²	26	67.7 Å²	67.7	14%	0.139	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-39.3	179.1	-75.6	-22.6	0	0	0	112.4	Q170 I171 D172 T178 I253	Q170-N174 WeakPolarHBondContact O-CB 3.16Å; Q170-N174 PolarHBondContact O-N 3.37Å; Q170-N174 PolarHBondContact O-ND2 2.89Å; I171-N174 CarbonylContact O-C 3.32Å; I171-N174 WeakPolarHBondContact O-CA 3.12Å; I171-N174 WeakPolarHBondContact O-CB 3.02Å; I171-N174 PolarHBondContact O-N 2.97Å; D172-N174 VanDerWaalsContact C-N 3.34Å; D172-N174 PolarHBondContact O-N 3.33Å; N174-T178 VanDerWaalsContact O-CB 3.32Å; N174-T178 WeakPolarHBondContact O-CB 3.43Å; N174-T178 PolarHBondContact O-N 2.76Å; N174-T178 PolarHBondContact O-OG1 3.18Å; N174-I253 HydrophobicContact CB-CD1 3.79Å; N174-I253 HydrophobicContact CB-CG1 3.9Å
175	I	58.7	Low	60.4	Low	45 Å²	45	68 Å²	68	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-53.4	174.3	-69.5	168.5	0	0	0	108.6	V25 I171 D172 N177 T178 T179 I253	V25-I175 HydrophobicContact CG1-CD1 3.65Å; V25-I175 HydrophobicContact CG1-CG1 4.49Å; I171-I175 HydrophobicContact CG2-CD1 3.66Å; I171-I175 HydrophobicContact CG2-CG1 4.21Å; I171-I175 WeakPolarHBondContact O-CG1 3.44Å; I171-I175 PolarHBondContact O-N 2.86Å; D172-I175 PolarHBondContact O-N 2.72Å; I175-N177 VanDerWaalsContact C-N 3.29Å; I175-N177 PolarHBondContact O-N 3.48Å; I175-T178 PolarHBondContact O-N 3.1Å; I175-T179 WeakPolarHBondContact O-CB 3.47Å; I175-T179 PolarHBondContact O-N 2.93Å; I175-T179 PolarHBondContact O-OG1 3.15Å; I175-I253 HydrophobicContact CG1-CD1 4.35Å
176	R	61.7	Low	59.8	Low	151 Å²	151	69 Å²	69	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-55.3	-43.3	178.6	-75.9	-169.1	-91.8	157.4	-7.9	112.6	D172 I173 S180	D172-R176 WeakPolarHBondContact O-CB 3.42Å; D172-R176 WeakPolarHBondContact O-CG 3.22Å; D172-R176 PolarHBondContact O-N 2.81Å; D172-R176 IonicContact OD1-NE 3.83Å; D172-R176 IonicContact OD2-CZ 3.36Å; D172-R176 IonicContact OD2-NE 2.88Å; D172-R176 PolarHBondContact OD2-NE 3.1Å; D172-R176 IonicContact OD2-NH2 3.57Å; D172-R176 PolarHBondContact OD2-NH2 2.97Å; I173-R176 PolarHBondContact O-N 3.26Å; R176-S180 VanDerWaalsContact O-CB 3.31Å; R176-S180 WeakPolarHBondContact O-CB 3.44Å; R176-S180 PolarHBondContact O-N 2.9Å
177	N	62.8	Low	58.9	Low	75 Å²	75	62.7 Å²	62.7	40%	0.401	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-42.3	176.2	-72.7	-20.3	0	0	0	112.3	I173 I175 S180 N181	I173-N177 WeakPolarHBondContact O-CB 3.4Å; I173-N177 PolarHBondContact O-N 2.82Å; I173-N177 PolarHBondContact O-ND2 2.92Å; I175-N177 VanDerWaalsContact C-N 3.29Å; I175-N177 PolarHBondContact O-N 3.48Å; N177-S180 PolarHBondContact O-N 2.76Å; N177-N181 WeakPolarHBondContact O-CB 3.47Å; N177-N181 PolarHBondContact O-N 3.11Å; N177-N181 PolarHBondContact O-ND2 2.77Å
178	T	57.5	Low	58.1	Low	7 Å²	7	61.7 Å²	61.7	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-46.1	178	-54.7	0	0	0	0	111.1	N174 I175 S180 N181 M182 A246 M250	N174-T178 VanDerWaalsContact O-CB 3.32Å; N174-T178 WeakPolarHBondContact O-CB 3.43Å; N174-T178 PolarHBondContact O-N 2.76Å; N174-T178 PolarHBondContact O-OG1 3.18Å; I175-T178 PolarHBondContact O-N 3.1Å; T178-S180 VanDerWaalsContact C-N 3.3Å; T178-S180 PolarHBondContact O-N 2.66Å; T178-N181 PolarHBondContact O-N 3.33Å; T178-M182 HydrophobicContact CG2-CE 4.14Å; T178-M182 WeakPolarHBondContact O-CG 3.5Å; T178-M182 PolarHBondContact O-N 3.36Å; T178-A246 HydrophobicContact CG2-CB 4.04Å; T178-M250 HydrophobicContact CG2-CG 3.88Å; T178-M250 HydrophobicContact CG2-SD 4.31Å
179	T	55.9	Low	57.4	Low	49 Å²	49	61.7 Å²	61.7	30%	0.301	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-41.6	173.9	-55.4	0	0	0	0	111	I175 M182 K183	I175-T179 WeakPolarHBondContact O-CB 3.47Å; I175-T179 PolarHBondContact O-N 2.93Å; I175-T179 PolarHBondContact O-OG1 3.15Å; T179-M182 PolarHBondContact O-N 2.89Å; T179-K183 HydrophobicContact CG2-CD 4.37Å; T179-K183 WeakPolarHBondContact O-CB 3.4Å; T179-K183 WeakPolarHBondContact O-CG 3.42Å; T179-K183 PolarHBondContact O-N 3.03Å
180	S	61.9	Low	56.5	Low	62 Å²	62	60.7 Å²	60.7	43%	0.434	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-48.2	174	-170.4	0	0	0	0	111.3	R176 N177 T178 M182 K183 T184	R176-S180 VanDerWaalsContact O-CB 3.31Å; R176-S180 WeakPolarHBondContact O-CB 3.44Å; R176-S180 PolarHBondContact O-N 2.9Å; N177-S180 PolarHBondContact O-N 2.76Å; T178-S180 VanDerWaalsContact C-N 3.3Å; T178-S180 PolarHBondContact O-N 2.66Å; S180-M182 VanDerWaalsContact C-N 3.31Å; S180-M182 PolarHBondContact O-N 2.85Å; S180-K183 PolarHBondContact O-N 2.91Å; S180-T184 PolarHBondContact O-N 3.24Å; S180-T184 PolarHBondContact O-OG1 3.12Å
181	N	58.3	Low	55.6	Low	81 Å²	81	62.7 Å²	62.7	43%	0.433	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-39.2	178.6	-69.5	-19.8	0	0	0	112.1	N177 T178 T184 A185	N177-N181 WeakPolarHBondContact O-CB 3.47Å; N177-N181 PolarHBondContact O-N 3.11Å; N177-N181 PolarHBondContact O-ND2 2.77Å; T178-N181 PolarHBondContact O-N 3.33Å; N181-T184 PolarHBondContact O-N 2.96Å; N181-A185 WeakPolarHBondContact O-CB 3.39Å; N181-A185 PolarHBondContact O-N 3.36Å
182	M	56	Low	54.9	Low	28 Å²	28	63.4 Å²	63.4	14%	0.138	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-44.3	173.9	-74.4	-176.5	174.5	0	0	111.8	T18 T178 T179 S180 T184 A185 Y186 A246 M250	T18-M182 HydrophobicContact CG2-SD 3.81Å; T178-M182 HydrophobicContact CG2-CE 4.14Å; T178-M182 WeakPolarHBondContact O-CG 3.5Å; T178-M182 PolarHBondContact O-N 3.36Å; T179-M182 PolarHBondContact O-N 2.89Å; S180-M182 VanDerWaalsContact C-N 3.31Å; S180-M182 PolarHBondContact O-N 2.85Å; M182-T184 VanDerWaalsContact C-N 3.31Å; M182-T184 PolarHBondContact O-N 3Å; M182-A185 PolarHBondContact O-N 3.06Å; M182-Y186 WeakPolarHBondContact O-CB 3.45Å; M182-Y186 PolarHBondContact O-N 2.81Å; M182-A246 HydrophobicContact CE-CB 4Å; M182-A246 HydrophobicContact CG-CB 4.16Å; M182-M250 HydrophobicContact CE-CE 3.31Å; M182-M250 HydrophobicContact CE-SD 3.41Å; M182-M250 WeakPolarHBondContact CE-SD 3.37Å
183	K	57.1	Low	54	Low	147 Å²	147	68.3 Å²	68.3	64%	0.639	34%	0.344	S	S	*	.	H	α-helix	trans	-60.3	-40.9	174.6	-77.9	179.8	179.2	-177.3	0	111.5	T179 S180 Y186 A187	T179-K183 HydrophobicContact CG2-CD 4.37Å; T179-K183 WeakPolarHBondContact O-CB 3.4Å; T179-K183 WeakPolarHBondContact O-CG 3.42Å; T179-K183 PolarHBondContact O-N 3.03Å; S180-K183 PolarHBondContact O-N 2.91Å; K183-Y186 PolarHBondContact O-N 3.36Å; K183-A187 VanDerWaalsContact O-CB 3.25Å; K183-A187 WeakPolarHBondContact O-CB 3.26Å; K183-A187 PolarHBondContact O-N 2.9Å
184	T	54.2	Low	52.4	Low	87 Å²	87	68.8 Å²	68.8	53%	0.534	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-41.5	175.6	-45.4	0	0	0	0	111.6	S180 N181 M182 Y186 A187 C188	S180-T184 PolarHBondContact O-N 3.24Å; S180-T184 PolarHBondContact O-OG1 3.12Å; N181-T184 PolarHBondContact O-N 2.96Å; M182-T184 VanDerWaalsContact C-N 3.31Å; M182-T184 PolarHBondContact O-N 3Å; T184-Y186 VanDerWaalsContact C-N 3.34Å; T184-Y186 PolarHBondContact O-N 3.13Å; T184-A187 PolarHBondContact O-N 3.45Å; T184-C188 WeakPolarHBondContact O-CB 3.28Å; T184-C188 PolarHBondContact O-N 2.91Å
185	A	51.3	Low	51.3	Low	7 Å²	7	73.4 Å²	73.4	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-42.5	175	0	0	0	0	0	111.6	N181 M182 C188 E189 C242 I243	N181-A185 WeakPolarHBondContact O-CB 3.39Å; N181-A185 PolarHBondContact O-N 3.36Å; M182-A185 PolarHBondContact O-N 3.06Å; A185-C188 WeakPolarHBondContact O-CB 3.18Å; A185-C188 PolarHBondContact O-N 3.08Å; A185-E189 PolarHBondContact O-N 3.37Å; A185-E189 VanDerWaalsContact O-N 3.11Å; A185-C242 HydrophobicContact CB-CB 4.41Å; A185-I243 HydrophobicContact CB-CG1 4.35Å
186	Y	49.4	Very low	50.4	Low	98 Å²	98	74.1 Å²	74.1	38%	0.384	38%	0.376	S	S	.	.	H	α-helix	trans	-70.1	-38.2	176.2	-166.7	-93	0	0	0	112.8	M182 K183 T184 C188 E189 T190	M182-Y186 WeakPolarHBondContact O-CB 3.45Å; M182-Y186 PolarHBondContact O-N 2.81Å; K183-Y186 PolarHBondContact O-N 3.36Å; T184-Y186 VanDerWaalsContact C-N 3.34Å; T184-Y186 PolarHBondContact O-N 3.13Å; Y186-C188 VanDerWaalsContact C-N 3.28Å; Y186-C188 PolarHBondContact O-N 3.29Å; Y186-E189 CarbonylContact O-C 3.57Å; Y186-E189 WeakPolarHBondContact O-CA 3.21Å; Y186-E189 VanDerWaalsContact O-CB 3.32Å; Y186-E189 WeakPolarHBondContact O-CB 3.21Å; Y186-E189 PolarHBondContact O-N 3.34Å; Y186-T190 HydrophobicContact CD1-CG2 4.08Å; Y186-T190 HydrophobicContact CE1-CG2 3.66Å; Y186-T190 PolarHBondContact O-N 2.95Å; Y186-T190 PolarHBondContact O-OG1 3.45Å
187	A	49.6	Very low	49.5	Very low	45 Å²	45	71.8 Å²	71.8	37%	0.372	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-42.7	174.3	0	0	0	0	0	110.7	K183 T184 E189 T190 E191	K183-A187 VanDerWaalsContact O-CB 3.25Å; K183-A187 WeakPolarHBondContact O-CB 3.26Å; K183-A187 PolarHBondContact O-N 2.9Å; T184-A187 PolarHBondContact O-N 3.45Å; A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 PolarHBondContact O-N 3.28Å; A187-T190 VanDerWaalsContact CA-OG1 3.32Å; A187-T190 WeakPolarHBondContact CA-OG1 3.39Å; A187-T190 PolarHBondContact O-N 2.87Å; A187-T190 PolarHBondContact O-OG1 2.76Å; A187-E191 PolarHBondContact O-N 2.94Å
188	C	47	Very low	48.4	Very low	50 Å²	50	74.7 Å²	74.7	34%	0.338	39%	0.385	S	S	.	.	H	α-helix	trans	-59	-36.7	171.8	-140	0	0	0	0	111.6	T184 A185 Y186 Q192	T184-C188 WeakPolarHBondContact O-CB 3.28Å; T184-C188 PolarHBondContact O-N 2.91Å; A185-C188 WeakPolarHBondContact O-CB 3.18Å; A185-C188 PolarHBondContact O-N 3.08Å; Y186-C188 VanDerWaalsContact C-N 3.28Å; Y186-C188 PolarHBondContact O-N 3.29Å; C188-Q192 WeakPolarHBondContact O-CB 3.44Å; C188-Q192 WeakPolarHBondContact O-CG 3.45Å; C188-Q192 PolarHBondContact O-N 3.23Å; C188-Q192 VanDerWaalsContact O-N 3.15Å
189	E	45.4	Very low	47.4	Very low	18 Å²	18	78 Å²	78	8%	0.084	40%	0.403	C	S	.	.	H	α-helix	trans	-69.8	-40.6	172.4	-71.6	-174.2	171	0	0	113.4	F7 A185 Y186 A187 Q192 R193	F7-E189 HydrophobicContact CZ-CG 4.45Å; A185-E189 PolarHBondContact O-N 3.37Å; A185-E189 VanDerWaalsContact O-N 3.11Å; Y186-E189 CarbonylContact O-C 3.57Å; Y186-E189 WeakPolarHBondContact O-CA 3.21Å; Y186-E189 VanDerWaalsContact O-CB 3.32Å; Y186-E189 WeakPolarHBondContact O-CB 3.21Å; Y186-E189 PolarHBondContact O-N 3.34Å; A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 PolarHBondContact O-N 3.28Å; E189-Q192 CarbonylContact O-C 3.56Å; E189-Q192 WeakPolarHBondContact O-CB 3.29Å; E189-Q192 PolarHBondContact O-N 3.05Å; E189-R193 PolarHBondContact O-N 3Å
190	T	45.2	Very low	46.6	Very low	65 Å²	65	77.5 Å²	77.5	40%	0.399	40%	0.4	S	S	.	.	H	α-helix	trans	-68.8	-39.4	179.2	41.1	0	0	0	0	112.4	Y186 A187 Q192 R193 C194	Y186-T190 HydrophobicContact CD1-CG2 4.08Å; Y186-T190 HydrophobicContact CE1-CG2 3.66Å; Y186-T190 PolarHBondContact O-N 2.95Å; Y186-T190 PolarHBondContact O-OG1 3.45Å; A187-T190 VanDerWaalsContact CA-OG1 3.32Å; A187-T190 WeakPolarHBondContact CA-OG1 3.39Å; A187-T190 PolarHBondContact O-N 2.87Å; A187-T190 PolarHBondContact O-OG1 2.76Å; T190-Q192 VanDerWaalsContact C-N 3.29Å; T190-Q192 PolarHBondContact O-N 3.1Å; T190-R193 PolarHBondContact O-N 3.48Å; T190-C194 PolarHBondContact O-N 2.9Å
191	E	45.2	Very low	45.6	Very low	145 Å²	145	77.5 Å²	77.5	68%	0.678	40%	0.403	S	S	*	.	H	α-helix	trans	-61	-40.3	170	-78.7	-179.5	161.1	0	0	110.6	A187 R193 C194 E195	A187-E191 PolarHBondContact O-N 2.94Å; E191-R193 PolarHBondContact O-N 3.14Å; E191-C194 WeakPolarHBondContact O-CB 3.49Å; E191-C194 PolarHBondContact O-N 3.25Å; E191-E195 PolarHBondContact O-N 2.93Å; E191-E195 VanDerWaalsContact O-N 3.13Å
192	Q	45.2	Very low	44.5	Very low	17 Å²	17	79.7 Å²	79.7	8%	0.079	41%	0.413	C	S	.	.	H	α-helix	trans	-67	-33.2	174.4	-83.8	-166.1	-28.8	0	0	114.2	C188 E189 T190 C194 E195 E196 T235	C188-Q192 WeakPolarHBondContact O-CB 3.44Å; C188-Q192 WeakPolarHBondContact O-CG 3.45Å; C188-Q192 PolarHBondContact O-N 3.23Å; C188-Q192 VanDerWaalsContact O-N 3.15Å; E189-Q192 CarbonylContact O-C 3.56Å; E189-Q192 WeakPolarHBondContact O-CB 3.29Å; E189-Q192 PolarHBondContact O-N 3.05Å; T190-Q192 VanDerWaalsContact C-N 3.29Å; T190-Q192 PolarHBondContact O-N 3.1Å; Q192-C194 PolarHBondContact O-N 3.43Å; Q192-E195 CarbonylContact O-C 3.49Å; Q192-E195 PolarHBondContact O-N 2.9Å; Q192-E195 VanDerWaalsContact O-N 3.17Å; Q192-E196 PolarHBondContact O-N 3.01Å; Q192-T235 VanDerWaalsContact NE2-CG2 3.33Å
193	R	42.6	Very low	43.8	Very low	162 Å²	162	84.9 Å²	84.9	61%	0.611	44%	0.438	S	S	*	.	H	α-helix	trans	-66.7	-28.2	175.8	-158.3	161	-174.4	172.4	-1.3	111	E189 T190 E191 N197	E189-R193 PolarHBondContact O-N 3Å; T190-R193 PolarHBondContact O-N 3.48Å; E191-R193 PolarHBondContact O-N 3.14Å; R193-N197 VanDerWaalsContact O-CB 3.27Å; R193-N197 WeakPolarHBondContact O-CB 3.36Å; R193-N197 PolarHBondContact O-N 3.41Å; R193-N197 PolarHBondContact O-ND2 2.92Å
194	C	33.6	Very low	43	Very low	79 Å²	79	83.9 Å²	83.9	53%	0.534	44%	0.435	S	S	.	.	H	α-helix	trans	-68.2	-47.5	168.2	-66.1	0	0	0	0	111.3	T190 E191 Q192 E196 N197 E198	T190-C194 PolarHBondContact O-N 2.9Å; E191-C194 WeakPolarHBondContact O-CB 3.49Å; E191-C194 PolarHBondContact O-N 3.25Å; Q192-C194 PolarHBondContact O-N 3.43Å; C194-E196 PolarHBondContact O-N 2.83Å; C194-N197 PolarHBondContact O-N 2.95Å; C194-E198 PolarHBondContact O-N 3.19Å
195	E	38.5	Very low	42.4	Very low	124 Å²	124	83.6 Å²	83.6	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-62.7	-41.3	176.3	-70.3	-176.2	166.2	0	0	112.9	E191 Q192 E198 L199	E191-E195 PolarHBondContact O-N 2.93Å; E191-E195 VanDerWaalsContact O-N 3.13Å; Q192-E195 CarbonylContact O-C 3.49Å; Q192-E195 PolarHBondContact O-N 2.9Å; Q192-E195 VanDerWaalsContact O-N 3.17Å; E195-E198 PolarHBondContact O-N 2.78Å; E195-L199 WeakPolarHBondContact O-CB 3.38Å; E195-L199 PolarHBondContact O-N 3.18Å
196	E	41	Very low	42	Very low	60 Å²	60	91.7 Å²	91.7	28%	0.28	47%	0.471	S	S	.	.	H	α-helix	trans	-65.3	-39	175.4	-92.5	-165.1	160.3	0	0	111.5	Q192 C194 E198 L199 T200 R236	Q192-E196 PolarHBondContact O-N 3.01Å; C194-E196 PolarHBondContact O-N 2.83Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E196-L199 PolarHBondContact O-N 2.69Å; E196-T200 VanDerWaalsContact O-CB 3.23Å; E196-T200 WeakPolarHBondContact O-CB 3.4Å; E196-T200 PolarHBondContact O-N 3.06Å; E196-T200 PolarHBondContact O-OG1 3.04Å; E196-R236 IonicContact OE1-CZ 3.29Å; E196-R236 IonicContact OE1-NH1 3.04Å; E196-R236 IonicContact OE1-NH2 2.73Å; E196-R236 PolarHBondContact OE1-NH2 3.41Å
197	N	41.9	Very low	41.5	Very low	102 Å²	102	91.2 Å²	91.2	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-38.6	176.2	-77.8	-16.5	0	0	0	110.8	R193 C194 A201	R193-N197 VanDerWaalsContact O-CB 3.27Å; R193-N197 WeakPolarHBondContact O-CB 3.36Å; R193-N197 PolarHBondContact O-N 3.41Å; R193-N197 PolarHBondContact O-ND2 2.92Å; C194-N197 PolarHBondContact O-N 2.95Å; N197-A201 WeakPolarHBondContact O-CB 3.36Å; N197-A201 PolarHBondContact O-N 3.35Å
198	E	38.8	Very low	41	Very low	135 Å²	135	93.9 Å²	93.9	63%	0.631	50%	0.498	S	S	*	.	H	α-helix	trans	-64.8	-43.5	172	-74	-177.5	172.9	0	0	111.6	C194 E195 E196 T200 A201 M202	C194-E198 PolarHBondContact O-N 3.19Å; E195-E198 PolarHBondContact O-N 2.78Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E198-T200 PolarHBondContact O-N 2.86Å; E198-A201 PolarHBondContact O-N 3.47Å; E198-M202 WeakPolarHBondContact O-CB 3.42Å; E198-M202 VanDerWaalsContact O-CG 3.32Å; E198-M202 WeakPolarHBondContact O-CG 3.4Å; E198-M202 PolarHBondContact O-N 2.77Å
199	L	36.7	Very low	40.6	Very low	77 Å²	77	98.7 Å²	98.7	40%	0.403	52%	0.52	S	S	.	.	H	α-helix	trans	-66.9	-39.2	177.9	-145.5	86.5	0	0	0	112.3	E195 E196 M202 M203	E195-L199 WeakPolarHBondContact O-CB 3.38Å; E195-L199 PolarHBondContact O-N 3.18Å; E196-L199 PolarHBondContact O-N 2.69Å; L199-M202 WeakPolarHBondContact O-CB 3.49Å; L199-M202 PolarHBondContact O-N 3.29Å; L199-M203 WeakPolarHBondContact O-CG 3.39Å; L199-M203 PolarHBondContact O-N 3.01Å
200	T	39.2	Very low	40.2	Very low	39 Å²	39	105.2 Å²	105.2	24%	0.239	56%	0.555	C	S	.	*	H	α-helix	trans	-70.4	-37.1	177.7	-49.5	0	0	0	0	110.2	E196 E198 M203 H204	E196-T200 VanDerWaalsContact O-CB 3.23Å; E196-T200 WeakPolarHBondContact O-CB 3.4Å; E196-T200 PolarHBondContact O-N 3.06Å; E196-T200 PolarHBondContact O-OG1 3.04Å; E198-T200 PolarHBondContact O-N 2.86Å; T200-M203 PolarHBondContact O-N 2.91Å; T200-H204 WeakPolarHBondContact O-CB 3.39Å; T200-H204 PolarHBondContact O-CD2 2.81Å; T200-H204 PolarHBondContact O-N 2.83Å
201	A	41.5	Very low	39.6	Very low	62 Å²	62	105.5 Å²	105.5	51%	0.512	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-40.6	169.9	0	0	0	0	0	111.6	N197 E198 H204 S205	N197-A201 WeakPolarHBondContact O-CB 3.36Å; N197-A201 PolarHBondContact O-N 3.35Å; E198-A201 PolarHBondContact O-N 3.47Å; A201-H204 PolarHBondContact O-N 3.08Å; A201-S205 WeakPolarHBondContact O-CB 3.43Å; A201-S205 PolarHBondContact O-N 3.47Å
202	M	36.1	Very low	39	Very low	127 Å²	127	108 Å²	108	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-63.2	-42	173.5	-75.6	-178.7	71.9	0	0	112	E198 L199 S205	E198-M202 WeakPolarHBondContact O-CB 3.42Å; E198-M202 VanDerWaalsContact O-CG 3.32Å; E198-M202 WeakPolarHBondContact O-CG 3.4Å; E198-M202 PolarHBondContact O-N 2.77Å; L199-M202 WeakPolarHBondContact O-CB 3.49Å; L199-M202 PolarHBondContact O-N 3.29Å; M202-S205 PolarHBondContact O-N 3.4Å; M202-S205 PolarHBondContact O-OG 3.06Å
203	M	40	Very low	38.4	Very low	137 Å²	137	114.7 Å²	114.7	68%	0.675	62%	0.622	S	S	*	*	H	α-helix	trans	-65.8	-42.1	176.1	-75.6	-170.3	64.1	0	0	112.5	L199 T200 S205 K206	L199-M203 WeakPolarHBondContact O-CG 3.39Å; L199-M203 PolarHBondContact O-N 3.01Å; T200-M203 PolarHBondContact O-N 2.91Å; M203-S205 VanDerWaalsContact C-N 3.31Å; M203-S205 PolarHBondContact O-N 2.75Å; M203-K206 PolarHBondContact O-N 3.21Å
204	H	41.4	Very low	37.9	Very low	125 Å²	125	117.6 Å²	117.6	58%	0.579	64%	0.639	S	S	*	*	H	α-helix	trans	-71.3	-25.8	177.4	-74.8	-52.8	0	0	0	113.1	T200 A201 K206 S207	T200-H204 WeakPolarHBondContact O-CB 3.39Å; T200-H204 PolarHBondContact O-CD2 2.81Å; T200-H204 PolarHBondContact O-N 2.83Å; A201-H204 PolarHBondContact O-N 3.08Å; H204-K206 PolarHBondContact O-N 3.01Å; H204-S207 PolarHBondContact O-N 2.94Å; H204-S207 PolarHBondContact O-OG 3.48Å
205	S	40.1	Very low	37.9	Very low	82 Å²	82	116.6 Å²	116.6	57%	0.573	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-13.9	173.3	74.8	0	0	0	0	113.8	A201 M202 M203	A201-S205 WeakPolarHBondContact O-CB 3.43Å; A201-S205 PolarHBondContact O-N 3.47Å; M202-S205 PolarHBondContact O-N 3.4Å; M202-S205 PolarHBondContact O-OG 3.06Å; M203-S205 VanDerWaalsContact C-N 3.31Å; M203-S205 PolarHBondContact O-N 2.75Å
206	K	42.8	Very low	37.7	Very low	177 Å²	177	117 Å²	117	77%	0.77	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-5.8	173.5	-74.6	-170.7	177	178.2	0	114.3	M203 H204	M203-K206 PolarHBondContact O-N 3.21Å; H204-K206 PolarHBondContact O-N 3.01Å
207	S	40.6	Very low	37.5	Very low	88 Å²	88	117.2 Å²	117.2	62%	0.615	68%	0.678	S	S	*	*	S	Bend	trans	-100.8	12.5	-176	63.4	0	0	0	0	114.8	H204	H204-S207 PolarHBondContact O-N 2.94Å; H204-S207 PolarHBondContact O-OG 3.48Å
208	S	37.7	Very low	37.3	Very low	100 Å²	100	121.1 Å²	121.1	70%	0.699	70%	0.698	S	S	*	*			trans	-110.1	49.5	180	51.1	0	0	0	0	112
209	D	38.5	Very low	37.8	Very low	152 Å²	152	119.7 Å²	119.7	81%	0.813	70%	0.703	S	S	*	*	S	Bend	trans	-128.5	133.2	162.4	-144.3	-3.9	0	0	0	109.9
210	D	37.5	Very low	38.3	Very low	154 Å²	154	121.6 Å²	121.6	82%	0.824	72%	0.719	S	S	*	*			trans	-70.9	143.7	-156.2	-71.3	-54.4	0	0	0	113.5
211	G	33.4	Very low	38.8	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	74%	0.735	S	S	*	*			trans	51.4	110.9	141.3	0	0	0	0	0	119.8
212	M	32.2	Very low	39.8	Very low	199 Å²	199	123.6 Å²	123.6	98%	0.98	73%	0.729	S	S	*	*			trans	111.2	126.6	152	-58.4	-161.9	-170.4	0	0	117.1
213	D	33.2	Very low	41.3	Very low	157 Å²	157	124.7 Å²	124.7	84%	0.84	73%	0.733	S	S	*	*			trans	90.7	105.3	161	-142.3	9.1	0	0	0	119.3	G215	D213-G215 PolarHBondContact O-N 2.88Å; D213-G215 VanDerWaalsContact O-N 3.15Å
214	F	32.1	Very low	42.6	Very low	222 Å²	222	125.7 Å²	125.7	97%	0.974	74%	0.736	S	S	*	*			trans	-79.8	79.3	172	-99.5	-100	0	0	0	108.5
215	G	33	Very low	43.5	Very low	59 Å²	59	124.3 Å²	124.3	61%	0.608	73%	0.73	S	S	*	*			trans	-118.4	113.3	175.5	0	0	0	0	0	111.7	D213 G217	D213-G215 PolarHBondContact O-N 2.88Å; D213-G215 VanDerWaalsContact O-N 3.15Å; G215-G217 PolarHBondContact O-N 2.88Å
216	S	35	Very low	44.5	Very low	132 Å²	132	124.7 Å²	124.7	92%	0.923	72%	0.722	S	S	*	*			trans	-41.1	116.3	177.3	52.2	0	0	0	0	115.3
217	G	35.4	Very low	45.5	Very low	65 Å²	65	122 Å²	122	67%	0.67	71%	0.712	S	S	*	*			trans	-171.3	61.6	173.9	0	0	0	0	0	112.2	G215 S219	G215-G217 PolarHBondContact O-N 2.88Å; G217-S219 VanDerWaalsContact C-N 3.3Å; G217-S219 PolarHBondContact O-N 3.36Å
218	L	38.7	Very low	46.6	Very low	184 Å²	184	120.5 Å²	120.5	96%	0.963	70%	0.702	S	S	*	*			trans	-67	93.5	164.9	-83.6	153.9	0	0	0	107.6
219	S	48.3	Very low	47.5	Very low	105 Å²	105	121 Å²	121	73%	0.734	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-59.6	139.3	170.2	-58.5	0	0	0	0	109.5	G217	G217-S219 VanDerWaalsContact C-N 3.3Å; G217-S219 PolarHBondContact O-N 3.36Å
220	P	47	Very low	48.5	Very low	116 Å²	116	121.6 Å²	121.6	75%	0.753	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-59.6	142.5	176.3	23.8	-31.4	0	0	0	110
221	P	51.1	Low	49.7	Very low	88 Å²	88	116.9 Å²	116.9	57%	0.571	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-57.4	144.4	178.4	22.8	-31.2	0	0	0	110.5	E225	P221-E225 WeakPolarHBondContact CA-OE2 3.02Å; P221-E225 HydrophobicContact CB-CB 4.05Å
222	S	63	Low	51.1	Low	55 Å²	55	115.1 Å²	115.1	39%	0.385	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-62.6	153.5	174	63.3	0	0	0	0	110.8	Q224 E225 E226	S222-Q224 PolarHBondContact O-N 3.1Å; S222-Q224 VanDerWaalsContact O-N 3.14Å; S222-E225 PolarHBondContact N-OE2 3.19Å; S222-E225 WeakPolarHBondContact O-CA 3.41Å; S222-E225 WeakPolarHBondContact O-CB 3.48Å; S222-E225 PolarHBondContact O-N 3.3Å; S222-E225 VanDerWaalsContact OG-CG 3.31Å; S222-E225 WeakPolarHBondContact OG-CG 3.46Å; S222-E225 PolarHBondContact OG-N 3.45Å; S222-E225 PolarHBondContact OG-OE2 2.87Å; S222-E225 VanDerWaalsContact OG-OE2 3.08Å; S222-E226 PolarHBondContact O-N 3.11Å
223	E	67.6	Low	52.3	Low	151 Å²	151	109.4 Å²	109.4	71%	0.706	62%	0.619	S	S	*	*	H	α-helix	trans	-57	-31.1	178.2	-165.2	174.2	-170.3	0	0	112.2	E226 Q227	E223-E226 PolarHBondContact O-N 3.4Å; E223-Q227 WeakPolarHBondContact O-CB 3.37Å; E223-Q227 WeakPolarHBondContact O-CG 3.42Å; E223-Q227 PolarHBondContact O-N 3.38Å
224	Q	65.4	Low	53.5	Low	157 Å²	157	105.9 Å²	105.9	73%	0.734	60%	0.603	S	S	*	*	H	α-helix	trans	-66	-42.5	171.3	-89.9	-174.5	-30.4	0	0	112.9	S222 E226 Q227 S228	S222-Q224 PolarHBondContact O-N 3.1Å; S222-Q224 VanDerWaalsContact O-N 3.14Å; Q224-E226 VanDerWaalsContact C-N 3.34Å; Q224-Q227 PolarHBondContact O-N 3.14Å; Q224-S228 VanDerWaalsContact O-CB 3.31Å; Q224-S228 WeakPolarHBondContact O-CB 3.12Å; Q224-S228 PolarHBondContact O-N 3.47Å
225	E	60.9	Low	54.8	Low	97 Å²	97	97.6 Å²	97.6	45%	0.453	57%	0.571	S	S	.	*	H	α-helix	trans	-65	-40.4	175	-75.4	166.1	150.8	0	0	110.8	P221 S222 S228 L229	P221-E225 WeakPolarHBondContact CA-OE2 3.02Å; P221-E225 HydrophobicContact CB-CB 4.05Å; S222-E225 PolarHBondContact N-OE2 3.19Å; S222-E225 WeakPolarHBondContact O-CA 3.41Å; S222-E225 WeakPolarHBondContact O-CB 3.48Å; S222-E225 PolarHBondContact O-N 3.3Å; S222-E225 VanDerWaalsContact OG-CG 3.31Å; S222-E225 WeakPolarHBondContact OG-CG 3.46Å; S222-E225 PolarHBondContact OG-N 3.45Å; S222-E225 PolarHBondContact OG-OE2 2.87Å; S222-E225 VanDerWaalsContact OG-OE2 3.08Å; E225-S228 PolarHBondContact O-N 3.49Å; E225-L229 WeakPolarHBondContact O-CB 3.48Å; E225-L229 PolarHBondContact O-N 3.26Å
226	E	60.5	Low	55.9	Low	89 Å²	89	96.6 Å²	96.6	42%	0.416	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-42.8	175.9	-162.1	-169.8	151.5	0	0	111.7	S222 E223 Q224 L229 R230	S222-E226 PolarHBondContact O-N 3.11Å; E223-E226 PolarHBondContact O-N 3.4Å; Q224-E226 VanDerWaalsContact C-N 3.34Å; E226-L229 PolarHBondContact O-N 2.94Å; E226-R230 WeakPolarHBondContact O-CB 3.28Å; E226-R230 WeakPolarHBondContact O-CG 3.38Å; E226-R230 PolarHBondContact O-N 2.89Å; E226-R230 IonicContact OE1-CZ 3.84Å; E226-R230 VanDerWaalsContact OE1-CZ 3.29Å; E226-R230 IonicContact OE1-NE 3.6Å; E226-R230 PolarHBondContact OE1-NE 3.47Å; E226-R230 IonicContact OE1-NH2 2.68Å; E226-R230 PolarHBondContact OE1-NH2 2.78Å
227	Q	63.7	Low	57	Low	120 Å²	120	95.6 Å²	95.6	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-62.8	-43.8	174.8	-80.3	-178.6	4	0	0	112.1	E223 Q224 L229 R230 A231	E223-Q227 WeakPolarHBondContact O-CB 3.37Å; E223-Q227 WeakPolarHBondContact O-CG 3.42Å; E223-Q227 PolarHBondContact O-N 3.38Å; Q224-Q227 PolarHBondContact O-N 3.14Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.07Å; Q227-R230 PolarHBondContact O-N 2.86Å; Q227-A231 WeakPolarHBondContact O-CB 3.45Å; Q227-A231 PolarHBondContact O-N 2.55Å
228	S	64.3	Low	58.2	Low	57 Å²	57	96.4 Å²	96.4	40%	0.399	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-44	174.7	179.4	0	0	0	0	111.1	Q224 E225 A231 S232	Q224-S228 VanDerWaalsContact O-CB 3.31Å; Q224-S228 WeakPolarHBondContact O-CB 3.12Å; Q224-S228 PolarHBondContact O-N 3.47Å; E225-S228 PolarHBondContact O-N 3.49Å; S228-A231 PolarHBondContact O-N 3.4Å; S228-S232 WeakPolarHBondContact O-CB 3.43Å; S228-S232 PolarHBondContact O-N 2.79Å
229	L	57.6	Low	59.2	Low	110 Å²	110	88 Å²	88	58%	0.576	48%	0.481	S	S	*	.	H	α-helix	trans	-62.5	-45.2	175.4	-123.1	91.9	0	0	0	111.9	E225 E226 Q227 S232 L233	E225-L229 WeakPolarHBondContact O-CB 3.48Å; E225-L229 PolarHBondContact O-N 3.26Å; E226-L229 PolarHBondContact O-N 2.94Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.07Å; L229-S232 WeakPolarHBondContact O-CB 3.44Å; L229-S232 PolarHBondContact O-N 3.47Å; L229-L233 WeakPolarHBondContact O-CB 3.16Å; L229-L233 PolarHBondContact O-N 2.54Å
230	R	59.6	Low	59.7	Low	165 Å²	165	85.9 Å²	85.9	62%	0.623	46%	0.464	S	S	*	.	H	α-helix	trans	-63.4	-41.5	178.1	-76.6	-176.7	-174.5	-149.5	5.8	111.7	E226 Q227 L233 T234	E226-R230 WeakPolarHBondContact O-CB 3.28Å; E226-R230 WeakPolarHBondContact O-CG 3.38Å; E226-R230 PolarHBondContact O-N 2.89Å; E226-R230 IonicContact OE1-CZ 3.84Å; E226-R230 VanDerWaalsContact OE1-CZ 3.29Å; E226-R230 IonicContact OE1-NE 3.6Å; E226-R230 PolarHBondContact OE1-NE 3.47Å; E226-R230 IonicContact OE1-NH2 2.68Å; E226-R230 PolarHBondContact OE1-NH2 2.78Å; Q227-R230 PolarHBondContact O-N 2.86Å; R230-L233 PolarHBondContact O-N 3.08Å; R230-T234 WeakPolarHBondContact O-CB 3.41Å; R230-T234 PolarHBondContact O-N 2.84Å; R230-T234 PolarHBondContact O-OG1 2.81Å
231	A	63	Low	60.3	Low	56 Å²	56	82.7 Å²	82.7	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-48.5	174.9	0	0	0	0	0	110.4	Q227 S228 L233 T234 T235	Q227-A231 WeakPolarHBondContact O-CB 3.45Å; Q227-A231 PolarHBondContact O-N 2.55Å; S228-A231 PolarHBondContact O-N 3.4Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 3.37Å; A231-T234 PolarHBondContact O-N 2.89Å; A231-T235 PolarHBondContact O-N 2.83Å; A231-T235 PolarHBondContact O-OG1 3.1Å
232	S	61.6	Low	60.5	Low	33 Å²	33	80.6 Å²	80.6	23%	0.231	43%	0.434	C	S	.	.	H	α-helix	trans	-56.6	-45.2	174.4	-174	0	0	0	0	112	S228 L229 T235 R236	S228-S232 WeakPolarHBondContact O-CB 3.43Å; S228-S232 PolarHBondContact O-N 2.79Å; L229-S232 WeakPolarHBondContact O-CB 3.44Å; L229-S232 PolarHBondContact O-N 3.47Å; S232-T235 PolarHBondContact O-N 2.89Å; S232-R236 VanDerWaalsContact O-CG 3.31Å; S232-R236 WeakPolarHBondContact O-CG 3.45Å; S232-R236 PolarHBondContact O-N 3.48Å
233	L	56.5	Low	60.3	Low	79 Å²	79	79 Å²	79	41%	0.414	42%	0.421	S	S	.	.	H	α-helix	trans	-67	-40	-179.5	-135.4	113.4	0	0	0	112.3	L229 R230 A231 T235 R236 L237	L229-L233 WeakPolarHBondContact O-CB 3.16Å; L229-L233 PolarHBondContact O-N 2.54Å; R230-L233 PolarHBondContact O-N 3.08Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 3.37Å; L233-T235 VanDerWaalsContact C-N 3.34Å; L233-R236 PolarHBondContact O-N 2.83Å; L233-L237 HydrophobicContact CD2-CD1 4.28Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 PolarHBondContact O-N 2.04Å
234	T	60.1	Low	60	Low	83 Å²	83	75.5 Å²	75.5	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-42.6	176.6	-55.6	0	0	0	0	110.6	R230 A231 L237 T238	R230-T234 WeakPolarHBondContact O-CB 3.41Å; R230-T234 PolarHBondContact O-N 2.84Å; R230-T234 PolarHBondContact O-OG1 2.81Å; A231-T234 PolarHBondContact O-N 2.89Å; T234-L237 WeakPolarHBondContact O-CB 3.45Å; T234-L237 PolarHBondContact O-N 3.27Å; T234-T238 PolarHBondContact O-N 3.32Å; T234-T238 PolarHBondContact O-OG1 3.19Å
235	T	58.3	Low	59.9	Low	48 Å²	48	75.6 Å²	75.6	29%	0.294	41%	0.41	S	S	.	.	H	α-helix	trans	-67.5	-35.9	175.7	-55.3	0	0	0	0	112.5	Q192 A231 S232 L233 L237 T238 S239	Q192-T235 VanDerWaalsContact NE2-CG2 3.33Å; A231-T235 PolarHBondContact O-N 2.83Å; A231-T235 PolarHBondContact O-OG1 3.1Å; S232-T235 PolarHBondContact O-N 2.89Å; L233-T235 VanDerWaalsContact C-N 3.34Å; T235-L237 VanDerWaalsContact C-N 3.35Å; T235-T238 VanDerWaalsContact CA-OG1 3.31Å; T235-T238 WeakPolarHBondContact CA-OG1 3.39Å; T235-T238 PolarHBondContact O-N 3.27Å; T235-T238 PolarHBondContact O-OG1 3.49Å; T235-S239 PolarHBondContact O-N 2.63Å; T235-S239 PolarHBondContact O-OG 3.42Å
236	R	57.3	Low	59.7	Low	38 Å²	38	71.1 Å²	71.1	14%	0.143	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-39.3	170.5	-71.6	177.3	-162.5	-123.6	4.6	111.9	F7 E196 S232 L233 S239 V240	F7-R236 HydrophobicContact CE2-CG 4.01Å; E196-R236 IonicContact OE1-CZ 3.29Å; E196-R236 IonicContact OE1-NH1 3.04Å; E196-R236 IonicContact OE1-NH2 2.73Å; E196-R236 PolarHBondContact OE1-NH2 3.41Å; S232-R236 VanDerWaalsContact O-CG 3.31Å; S232-R236 WeakPolarHBondContact O-CG 3.45Å; S232-R236 PolarHBondContact O-N 3.48Å; L233-R236 PolarHBondContact O-N 2.83Å; R236-S239 WeakPolarHBondContact CA-OG 3.3Å; R236-S239 PolarHBondContact O-OG 2.93Å; R236-V240 WeakPolarHBondContact O-CB 3.21Å; R236-V240 WeakPolarHBondContact O-CG2 3.42Å; R236-V240 PolarHBondContact O-N 3.46Å
237	L	57.8	Low	59.9	Low	111 Å²	111	70.7 Å²	70.7	58%	0.581	39%	0.387	S	S	*	.	H	α-helix	trans	-66.3	-38.8	176.1	-82.9	157.6	0	0	0	111.8	L233 T234 T235 A241	L233-L237 HydrophobicContact CD2-CD1 4.28Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 PolarHBondContact O-N 2.04Å; T234-L237 WeakPolarHBondContact O-CB 3.45Å; T234-L237 PolarHBondContact O-N 3.27Å; T235-L237 VanDerWaalsContact C-N 3.35Å; L237-A241 WeakPolarHBondContact O-CB 3.11Å; L237-A241 PolarHBondContact O-N 3.45Å
238	T	59.2	Low	59.9	Low	82 Å²	82	71.7 Å²	71.7	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-70.9	-39.7	177	51	0	0	0	0	112.7	T234 T235 A241 C242	T234-T238 PolarHBondContact O-N 3.32Å; T234-T238 PolarHBondContact O-OG1 3.19Å; T235-T238 VanDerWaalsContact CA-OG1 3.31Å; T235-T238 WeakPolarHBondContact CA-OG1 3.39Å; T235-T238 PolarHBondContact O-N 3.27Å; T235-T238 PolarHBondContact O-OG1 3.49Å; T238-A241 PolarHBondContact O-N 3.01Å; T238-C242 WeakPolarHBondContact O-CB 3.38Å; T238-C242 PolarHBondContact O-N 3.42Å
239	S	60.5	Low	59.8	Low	8 Å²	8	74.4 Å²	74.4	6%	0.056	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-47.9	172.3	50.4	0	0	0	0	111.2	T235 R236 A241 C242 I243	T235-S239 PolarHBondContact O-N 2.63Å; T235-S239 PolarHBondContact O-OG 3.42Å; R236-S239 WeakPolarHBondContact CA-OG 3.3Å; R236-S239 PolarHBondContact O-OG 2.93Å; S239-A241 VanDerWaalsContact C-N 3.33Å; S239-A241 PolarHBondContact O-N 2.96Å; S239-C242 WeakPolarHBondContact O-CB 3.5Å; S239-C242 PolarHBondContact O-N 3.03Å; S239-C242 VanDerWaalsContact O-N 3.08Å; S239-I243 VanDerWaalsContact O-CD1 3.32Å; S239-I243 WeakPolarHBondContact O-CD1 3.26Å; S239-I243 VanDerWaalsContact O-CG1 3.23Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 3.4Å
240	V	58.3	Low	60	Low	61 Å²	61	70.6 Å²	70.6	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-57.6	-43.2	173.7	171.8	0	0	0	0	111.7	R236 C242 I243 C244	R236-V240 WeakPolarHBondContact O-CB 3.21Å; R236-V240 WeakPolarHBondContact O-CG2 3.42Å; R236-V240 PolarHBondContact O-N 3.46Å; V240-C242 VanDerWaalsContact C-N 3.32Å; V240-C242 PolarHBondContact O-N 2.93Å; V240-I243 WeakPolarHBondContact O-CB 3.5Å; V240-I243 PolarHBondContact O-N 2.84Å; V240-C244 PolarHBondContact O-N 3.2Å; V240-C244 PolarHBondContact O-SG 3.21Å; V240-C244 VanDerWaalsContact O-SG 3.32Å
241	A	60.3	Low	60.3	Low	48 Å²	48	69.8 Å²	69.8	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-36.6	176.2	0	0	0	0	0	112.7	L237 T238 S239 C244 K245	L237-A241 WeakPolarHBondContact O-CB 3.11Å; L237-A241 PolarHBondContact O-N 3.45Å; T238-A241 PolarHBondContact O-N 3.01Å; S239-A241 VanDerWaalsContact C-N 3.33Å; S239-A241 PolarHBondContact O-N 2.96Å; A241-C244 PolarHBondContact O-N 2.7Å; A241-K245 WeakPolarHBondContact O-CG 3.4Å; A241-K245 PolarHBondContact O-N 3.21Å
242	C	55.2	Low	60.4	Low	45 Å²	45	72.2 Å²	72.2	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-42.7	175.4	-151.4	0	0	0	0	111.1	A185 T238 S239 V240 K245 A246	A185-C242 HydrophobicContact CB-CB 4.41Å; T238-C242 WeakPolarHBondContact O-CB 3.38Å; T238-C242 PolarHBondContact O-N 3.42Å; S239-C242 WeakPolarHBondContact O-CB 3.5Å; S239-C242 PolarHBondContact O-N 3.03Å; S239-C242 VanDerWaalsContact O-N 3.08Å; V240-C242 VanDerWaalsContact C-N 3.32Å; V240-C242 PolarHBondContact O-N 2.93Å; C242-K245 PolarHBondContact O-N 2.88Å; C242-A246 PolarHBondContact O-N 3.37Å
243	I	59.2	Low	60.4	Low	21 Å²	21	71.1 Å²	71.1	11%	0.108	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-48.1	175.3	-66	156.2	0	0	0	110.6	L14 A185 S239 V240 K245 A246 F247	L14-I243 HydrophobicContact CD1-CD1 3.42Å; L14-I243 VanDerWaalsContact CD1-CD1 3.42Å; L14-I243 HydrophobicContact CD1-CG1 3.87Å; L14-I243 HydrophobicContact CD1-CG2 4.21Å; L14-I243 HydrophobicContact CG-CG2 4.48Å; A185-I243 HydrophobicContact CB-CG1 4.35Å; S239-I243 VanDerWaalsContact O-CD1 3.32Å; S239-I243 WeakPolarHBondContact O-CD1 3.26Å; S239-I243 VanDerWaalsContact O-CG1 3.23Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 3.4Å; V240-I243 WeakPolarHBondContact O-CB 3.5Å; V240-I243 PolarHBondContact O-N 2.84Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 PolarHBondContact O-N 3.47Å; I243-A246 WeakPolarHBondContact O-CB 3.49Å; I243-A246 PolarHBondContact O-N 3.02Å; I243-A246 VanDerWaalsContact O-N 3.1Å; I243-F247 HydrophobicContact CG2-CD2 3.58Å; I243-F247 HydrophobicContact CG2-CE2 3.34Å; I243-F247 WeakPolarHBondContact O-CD2 3.38Å; I243-F247 PolarHBondContact O-N 3.39Å
244	C	61	Low	60.8	Low	77 Å²	77	73.5 Å²	73.5	52%	0.52	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-40	176.6	-71	0	0	0	0	112.5	V240 A241 F247 K248	V240-C244 PolarHBondContact O-N 3.2Å; V240-C244 PolarHBondContact O-SG 3.21Å; V240-C244 VanDerWaalsContact O-SG 3.32Å; A241-C244 PolarHBondContact O-N 2.7Å; C244-F247 PolarHBondContact O-N 2.84Å; C244-K248 PolarHBondContact O-N 3.39Å
245	K	62.3	Low	61.2	Low	160 Å²	160	75.4 Å²	75.4	70%	0.696	38%	0.38	S	S	*	.	H	α-helix	trans	-64.6	-40.6	173.9	-77.5	179.9	-177.9	176.2	0	112	A241 C242 I243 K248 R249	A241-K245 WeakPolarHBondContact O-CG 3.4Å; A241-K245 PolarHBondContact O-N 3.21Å; C242-K245 PolarHBondContact O-N 2.88Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 PolarHBondContact O-N 3.47Å; K245-K248 PolarHBondContact O-N 3.1Å; K245-R249 WeakPolarHBondContact O-CB 3.43Å; K245-R249 PolarHBondContact O-N 3.46Å
246	A	58.1	Low	61.6	Low	3 Å²	3	75.2 Å²	75.2	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-61.6	-45.5	174.7	0	0	0	0	0	111	T178 M182 C242 I243 K248 R249 M250	T178-A246 HydrophobicContact CG2-CB 4.04Å; M182-A246 HydrophobicContact CE-CB 4Å; M182-A246 HydrophobicContact CG-CB 4.16Å; C242-A246 PolarHBondContact O-N 3.37Å; I243-A246 WeakPolarHBondContact O-CB 3.49Å; I243-A246 PolarHBondContact O-N 3.02Å; I243-A246 VanDerWaalsContact O-N 3.1Å; A246-K248 PolarHBondContact O-N 2.98Å; A246-R249 PolarHBondContact O-N 2.81Å; A246-M250 VanDerWaalsContact O-CG 3.31Å; A246-M250 WeakPolarHBondContact O-CG 3.41Å; A246-M250 PolarHBondContact O-N 3.42Å
247	F	63.1	Low	61.7	Low	79 Å²	79	73.9 Å²	73.9	35%	0.346	38%	0.376	S	S	.	.	H	α-helix	trans	-57.6	-47	174.8	-82	-68	0	0	0	113.1	C17 I243 C244 R249 M250 E251	C17-F247 HydrophobicContact CB-CE1 4Å; C17-F247 HydrophobicContact CB-CZ 3.98Å; I243-F247 HydrophobicContact CG2-CD2 3.58Å; I243-F247 HydrophobicContact CG2-CE2 3.34Å; I243-F247 WeakPolarHBondContact O-CD2 3.38Å; I243-F247 PolarHBondContact O-N 3.39Å; C244-F247 PolarHBondContact O-N 2.84Å; F247-R249 PolarHBondContact O-N 2.87Å; F247-M250 HydrophobicContact CB-CE 4.26Å; F247-M250 HydrophobicContact CD1-CE 3.3Å; F247-M250 HydrophobicContact CE1-CE 3.68Å; F247-M250 HydrophobicContact CG-CE 3.84Å; F247-M250 WeakPolarHBondContact O-CB 3.05Å; F247-M250 PolarHBondContact O-N 3.48Å; F247-M250 VanDerWaalsContact O-N 3.16Å; F247-E251 PolarHBondContact O-N 2.97Å; F247-E251 VanDerWaalsContact O-N 3.13Å
248	K	64.6	Low	62.2	Low	141 Å²	141	72.2 Å²	72.2	61%	0.613	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-42.7	177.2	-168.6	175.7	-179.5	178.7	0	112.3	C244 K245 A246 M250 E251 E252	C244-K248 PolarHBondContact O-N 3.39Å; K245-K248 PolarHBondContact O-N 3.1Å; A246-K248 PolarHBondContact O-N 2.98Å; K248-M250 VanDerWaalsContact C-N 3.27Å; K248-M250 PolarHBondContact O-N 2.99Å; K248-E251 PolarHBondContact O-N 3.38Å; K248-E252 PolarHBondContact O-N 2.9Å
249	R	63	Low	62.5	Low	115 Å²	115	71.8 Å²	71.8	43%	0.434	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-34.6	176.1	-157.5	91.3	174	-162.4	1.5	111.8	K245 A246 F247 E252 I253	K245-R249 WeakPolarHBondContact O-CB 3.43Å; K245-R249 PolarHBondContact O-N 3.46Å; A246-R249 PolarHBondContact O-N 2.81Å; F247-R249 PolarHBondContact O-N 2.87Å; R249-E252 WeakPolarHBondContact O-CB 3.4Å; R249-E252 PolarHBondContact O-N 2.9Å; R249-I253 VanDerWaalsContact O-CG1 3.3Å; R249-I253 WeakPolarHBondContact O-CG1 3.41Å; R249-I253 PolarHBondContact O-N 2.97Å
250	M	61.1	Low	62.6	Low	29 Å²	29	71.4 Å²	71.4	14%	0.143	36%	0.358	C	S	.	.	H	α-helix	trans	-68.7	-38.5	177.3	-72.6	-174.7	-63	0	0	112.6	I21 T178 M182 A246 F247 K248 E252 I253 K254	I21-M250 HydrophobicContact CD1-CE 3.94Å; I21-M250 HydrophobicContact CD1-SD 3.57Å; I21-M250 VanDerWaalsContact CD1-SD 3.57Å; I21-M250 HydrophobicContact CG2-SD 4.28Å; T178-M250 HydrophobicContact CG2-CG 3.88Å; T178-M250 HydrophobicContact CG2-SD 4.31Å; M182-M250 HydrophobicContact CE-CE 3.31Å; M182-M250 HydrophobicContact CE-SD 3.41Å; M182-M250 WeakPolarHBondContact CE-SD 3.37Å; A246-M250 VanDerWaalsContact O-CG 3.31Å; A246-M250 WeakPolarHBondContact O-CG 3.41Å; A246-M250 PolarHBondContact O-N 3.42Å; F247-M250 HydrophobicContact CB-CE 4.26Å; F247-M250 HydrophobicContact CD1-CE 3.3Å; F247-M250 HydrophobicContact CE1-CE 3.68Å; F247-M250 HydrophobicContact CG-CE 3.84Å; F247-M250 WeakPolarHBondContact O-CB 3.05Å; F247-M250 PolarHBondContact O-N 3.48Å; F247-M250 VanDerWaalsContact O-N 3.16Å; K248-M250 VanDerWaalsContact C-N 3.27Å; K248-M250 PolarHBondContact O-N 2.99Å; M250-E252 VanDerWaalsContact C-N 3.29Å; M250-E252 PolarHBondContact O-N 3.43Å; M250-I253 PolarHBondContact O-N 3.46Å; M250-K254 PolarHBondContact O-N 3.26Å
251	E	65.2	Low	62.9	Low	148 Å²	148	71.1 Å²	71.1	69%	0.692	35%	0.352	S	S	*	.	H	α-helix	trans	-62.9	-38.9	174.7	-164.7	164.5	-158.3	0	0	111.4	F247 K248 K254 L255	F247-E251 PolarHBondContact O-N 2.97Å; F247-E251 VanDerWaalsContact O-N 3.13Å; K248-E251 PolarHBondContact O-N 3.38Å; E251-K254 PolarHBondContact O-N 2.92Å; E251-L255 WeakPolarHBondContact O-CB 3.42Å; E251-L255 PolarHBondContact O-N 3.32Å
252	E	64.7	Low	63.5	Low	108 Å²	108	75.3 Å²	75.3	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-40.7	171.9	-66.6	170.2	-176.6	0	0	112.5	K248 R249 M250 S256	K248-E252 PolarHBondContact O-N 2.9Å; R249-E252 WeakPolarHBondContact O-CB 3.4Å; R249-E252 PolarHBondContact O-N 2.9Å; M250-E252 VanDerWaalsContact C-N 3.29Å; M250-E252 PolarHBondContact O-N 3.43Å; E252-S256 WeakPolarHBondContact O-CB 3.28Å; E252-S256 PolarHBondContact O-N 2.91Å
253	I	61.7	Low	64.1	Low	10 Å²	10	75.8 Å²	75.8	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-46.1	176.6	-68.5	164.5	0	0	0	110.6	I171 N174 I175 R249 M250 S256 Q257	I171-I253 HydrophobicContact CG2-CG2 4.14Å; N174-I253 HydrophobicContact CB-CD1 3.79Å; N174-I253 HydrophobicContact CB-CG1 3.9Å; I175-I253 HydrophobicContact CG1-CD1 4.35Å; R249-I253 VanDerWaalsContact O-CG1 3.3Å; R249-I253 WeakPolarHBondContact O-CG1 3.41Å; R249-I253 PolarHBondContact O-N 2.97Å; M250-I253 PolarHBondContact O-N 3.46Å; I253-S256 WeakPolarHBondContact O-CB 3.38Å; I253-S256 PolarHBondContact O-N 3.41Å; I253-Q257 PolarHBondContact O-N 3.3Å
254	K	65.3	Low	64.2	Low	129 Å²	129	75 Å²	75	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-60.9	-47.2	179.4	-173.5	-179.8	-179.6	-177.2	0	111.6	M250 E251 S256 Q257 E258	M250-K254 PolarHBondContact O-N 3.26Å; E251-K254 PolarHBondContact O-N 2.92Å; K254-S256 VanDerWaalsContact C-N 3.27Å; K254-S256 PolarHBondContact O-N 3.41Å; K254-Q257 WeakPolarHBondContact O-CB 3.44Å; K254-Q257 PolarHBondContact O-N 2.87Å; K254-E258 PolarHBondContact O-N 3.36Å
255	L	68.6	Low	64.5	Low	122 Å²	122	75.3 Å²	75.3	64%	0.639	36%	0.355	S	S	*	.	H	α-helix	trans	-62	-36.9	176.7	-162	80.5	0	0	0	111.7	E251 N259	E251-L255 WeakPolarHBondContact O-CB 3.42Å; E251-L255 PolarHBondContact O-N 3.32Å; L255-N259 PolarHBondContact O-N 3.49Å; L255-N259 VanDerWaalsContact O-N 3.13Å
256	S	66.3	Low	64.9	Low	45 Å²	45	71.4 Å²	71.4	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-42	175.1	-169	0	0	0	0	112.2	E252 I253 K254 N259 I260	E252-S256 WeakPolarHBondContact O-CB 3.28Å; E252-S256 PolarHBondContact O-N 2.91Å; I253-S256 WeakPolarHBondContact O-CB 3.38Å; I253-S256 PolarHBondContact O-N 3.41Å; K254-S256 VanDerWaalsContact C-N 3.27Å; K254-S256 PolarHBondContact O-N 3.41Å; S256-N259 PolarHBondContact O-N 2.87Å; S256-I260 VanDerWaalsContact O-CG1 3.3Å; S256-I260 WeakPolarHBondContact O-CG1 3.47Å; S256-I260 PolarHBondContact O-N 2.82Å; S256-I260 VanDerWaalsContact O-N 3.1Å
257	Q	60.3	Low	65.2	Low	10 Å²	10	72.2 Å²	72.2	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-50.4	174.3	-76	176.1	-59.7	0	0	111.6	I171 I253 K254 N259 I260 E261	I171-Q257 HydrophobicContact CD1-CG 3.97Å; I253-Q257 PolarHBondContact O-N 3.3Å; K254-Q257 WeakPolarHBondContact O-CB 3.44Å; K254-Q257 PolarHBondContact O-N 2.87Å; Q257-N259 PolarHBondContact O-N 2.95Å; Q257-I260 WeakPolarHBondContact O-CB 3.18Å; Q257-I260 PolarHBondContact O-N 3.38Å; Q257-E261 PolarHBondContact O-N 3.05Å
258	E	67.5	Low	65.4	Low	76 Å²	76	71 Å²	71	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-57	-37.1	178.2	-72.1	178.8	-171.3	0	0	112.3	K254 K262	K254-E258 PolarHBondContact O-N 3.36Å; E258-K262 WeakPolarHBondContact O-CG 3.36Å; E258-K262 PolarHBondContact O-N 3.48Å; E258-K262 VanDerWaalsContact O-N 3.15Å
259	N	67.1	Low	65.9	Low	73 Å²	73	67.3 Å²	67.3	39%	0.39	34%	0.338	S	S	.	.	H	α-helix	trans	-69.9	-37.9	176.7	-166.7	51.8	0	0	0	112.5	R167 L255 S256 Q257 K262 E263	R167-N259 PolarHBondContact NH1-ND2 3.35Å; L255-N259 PolarHBondContact O-N 3.49Å; L255-N259 VanDerWaalsContact O-N 3.13Å; S256-N259 PolarHBondContact O-N 2.87Å; Q257-N259 PolarHBondContact O-N 2.95Å; N259-K262 PolarHBondContact O-N 2.98Å; N259-E263 PolarHBondContact ND2-OE1 3.02Å; N259-E263 WeakPolarHBondContact O-CG 3.13Å; N259-E263 PolarHBondContact O-N 2.83Å
260	I	62.2	Low	66.3	Low	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-39.5	175.2	-67.5	165	0	0	0	110.9	M32 I164 R167 I171 S256 Q257 E263 C264	M32-I260 HydrophobicContact SD-CB 4.41Å; M32-I260 HydrophobicContact SD-CG2 3.65Å; I164-I260 HydrophobicContact CG2-CG2 4.36Å; R167-I260 HydrophobicContact CB-CD1 3.77Å; R167-I260 HydrophobicContact CB-CG1 4.37Å; I171-I260 HydrophobicContact CD1-CD1 3.36Å; S256-I260 VanDerWaalsContact O-CG1 3.3Å; S256-I260 WeakPolarHBondContact O-CG1 3.47Å; S256-I260 PolarHBondContact O-N 2.82Å; S256-I260 VanDerWaalsContact O-N 3.1Å; Q257-I260 WeakPolarHBondContact O-CB 3.18Å; Q257-I260 PolarHBondContact O-N 3.38Å; I260-E263 PolarHBondContact O-N 2.96Å; I260-C264 WeakPolarHBondContact O-CB 3.49Å; I260-C264 PolarHBondContact O-N 3.37Å; I260-C264 PolarHBondContact O-SG 3.4Å
261	E	64.1	Low	66.5	Low	55 Å²	55	66.2 Å²	66.2	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-45.2	175.8	-73.7	-178.7	175.7	0	0	111.7	Q257 E263 C264 V265	Q257-E261 PolarHBondContact O-N 3.05Å; E261-E263 PolarHBondContact O-N 3.22Å; E261-C264 WeakPolarHBondContact O-CB 3.24Å; E261-C264 PolarHBondContact O-N 3.11Å; E261-V265 WeakPolarHBondContact O-CG2 3.26Å; E261-V265 PolarHBondContact O-N 3.44Å
262	K	72.4	Confident	66.8	Low	136 Å²	136	64.7 Å²	64.7	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-59.9	-45.1	175.1	-72.5	170.6	-175.1	167.5	0	111.8	E258 N259 V265 V266	E258-K262 WeakPolarHBondContact O-CG 3.36Å; E258-K262 PolarHBondContact O-N 3.48Å; E258-K262 VanDerWaalsContact O-N 3.15Å; N259-K262 PolarHBondContact O-N 2.98Å; K262-V265 PolarHBondContact O-N 2.86Å; K262-V266 WeakPolarHBondContact O-CG2 3.44Å; K262-V266 PolarHBondContact O-N 3.43Å
263	E	67.5	Low	67.1	Low	54 Å²	54	68.1 Å²	68.1	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-41.6	175.6	-75.2	177.8	-165.2	0	0	111.8	R167 N259 I260 E261 V266 M267	R167-E263 IonicContact CZ-OE1 3.9Å; R167-E263 IonicContact CZ-OE2 3.43Å; R167-E263 IonicContact NH1-OE1 2.65Å; R167-E263 PolarHBondContact NH1-OE1 3.22Å; R167-E263 IonicContact NH1-OE2 2.78Å; R167-E263 PolarHBondContact NH1-OE2 2.88Å; R167-E263 IonicContact NH2-OE1 3.64Å; R167-E263 PolarHBondContact NH2-OE1 2.88Å; R167-E263 IonicContact NH2-OE2 3.24Å; N259-E263 PolarHBondContact ND2-OE1 3.02Å; N259-E263 WeakPolarHBondContact O-CG 3.13Å; N259-E263 PolarHBondContact O-N 2.83Å; I260-E263 PolarHBondContact O-N 2.96Å; E261-E263 PolarHBondContact O-N 3.22Å; E263-V266 PolarHBondContact O-N 2.83Å; E263-M267 WeakPolarHBondContact O-CB 3.35Å; E263-M267 PolarHBondContact O-N 3.35Å
264	C	61.1	Low	67.1	Low	5 Å²	5	68.4 Å²	68.4	3%	0.034	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-42.5	176.1	-81.2	0	0	0	0	112.5	I260 E261 M267 H268	I260-C264 WeakPolarHBondContact O-CB 3.49Å; I260-C264 PolarHBondContact O-N 3.37Å; I260-C264 PolarHBondContact O-SG 3.4Å; E261-C264 WeakPolarHBondContact O-CB 3.24Å; E261-C264 PolarHBondContact O-N 3.11Å; C264-M267 WeakPolarHBondContact O-CB 3.11Å; C264-M267 PolarHBondContact O-N 3.03Å; C264-H268 WeakPolarHBondContact O-CB 3.24Å; C264-H268 PolarHBondContact O-N 3.43Å
265	V	67.3	Low	67	Low	83 Å²	83	63.7 Å²	63.7	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-48.2	178.2	170.5	0	0	0	0	111.2	E261 K262 M267 H268 A269	E261-V265 WeakPolarHBondContact O-CG2 3.26Å; E261-V265 PolarHBondContact O-N 3.44Å; K262-V265 PolarHBondContact O-N 2.86Å; V265-M267 PolarHBondContact O-N 3.41Å; V265-H268 PolarHBondContact O-N 3.41Å; V265-A269 PolarHBondContact O-N 3.4Å; V265-A269 VanDerWaalsContact O-N 3.09Å
266	V	72.1	Confident	67.4	Low	79 Å²	79	61.1 Å²	61.1	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-36.9	177.1	173.2	0	0	0	0	111.1	K262 E263 K270	K262-V266 WeakPolarHBondContact O-CG2 3.44Å; K262-V266 PolarHBondContact O-N 3.43Å; E263-V266 PolarHBondContact O-N 2.83Å; V266-K270 HydrophobicContact CG1-CD 4.48Å; V266-K270 WeakPolarHBondContact O-CG 3.26Å; V266-K270 PolarHBondContact O-N 3.27Å; V266-K270 VanDerWaalsContact O-N 3.12Å
267	M	64.6	Low	67.6	Low	19 Å²	19	62.7 Å²	62.7	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-69.1	-44.6	178.3	-168.1	178.7	-46.7	0	0	112.2	F160 I164 E263 C264 V265 A269 K270 V271	F160-M267 HydrophobicContact CB-CE 3.5Å; F160-M267 VanDerWaalsContact CB-CE 3.5Å; F160-M267 HydrophobicContact CB-SD 3.89Å; F160-M267 HydrophobicContact CD1-CE 3.93Å; F160-M267 HydrophobicContact CD2-CE 4.48Å; F160-M267 HydrophobicContact CG-CE 3.73Å; F160-M267 HydrophobicContact CG-SD 4.48Å; I164-M267 HydrophobicContact CD1-CE 3.53Å; I164-M267 HydrophobicContact CD1-SD 4.08Å; I164-M267 HydrophobicContact CG1-CE 4.43Å; E263-M267 WeakPolarHBondContact O-CB 3.35Å; E263-M267 PolarHBondContact O-N 3.35Å; C264-M267 WeakPolarHBondContact O-CB 3.11Å; C264-M267 PolarHBondContact O-N 3.03Å; V265-M267 PolarHBondContact O-N 3.41Å; M267-A269 VanDerWaalsContact C-N 3.25Å; M267-A269 PolarHBondContact O-N 2.86Å; M267-K270 PolarHBondContact O-N 3.36Å; M267-V271 WeakPolarHBondContact O-CG2 3.18Å; M267-V271 PolarHBondContact O-N 3.45Å
268	H	67.7	Low	67.5	Low	55 Å²	55	63 Å²	63	26%	0.255	32%	0.315	S	S	.	.	H	α-helix	trans	-57.5	-41.9	176	-151.1	78.4	0	0	0	111	L39 Q42 C264 V265 K270 V271 H272	L39-H268 HydrophobicContact CD2-CB 4.21Å; L39-H268 WeakPolarHBondContact CD2-ND1 3.38Å; Q42-H268 PolarHBondContact OE1-CE1 3.21Å; Q42-H268 PolarHBondContact OE1-ND1 3.33Å; C264-H268 WeakPolarHBondContact O-CB 3.24Å; C264-H268 PolarHBondContact O-N 3.43Å; V265-H268 PolarHBondContact O-N 3.41Å; H268-K270 PolarHBondContact O-N 3.25Å; H268-V271 PolarHBondContact O-N 2.98Å; H268-H272 VanDerWaalsContact O-CB 3.29Å; H268-H272 WeakPolarHBondContact O-CB 3.22Å; H268-H272 PolarHBondContact O-N 3.39Å
269	A	73.6	Confident	67.6	Low	62 Å²	62	67.1 Å²	67.1	51%	0.512	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-40.2	174.4	0	0	0	0	0	113.1	V265 M267 R273	V265-A269 PolarHBondContact O-N 3.4Å; V265-A269 VanDerWaalsContact O-N 3.09Å; M267-A269 VanDerWaalsContact C-N 3.25Å; M267-A269 PolarHBondContact O-N 2.86Å; A269-R273 PolarHBondContact O-N 3.37Å
270	K	72.7	Confident	67.9	Low	120 Å²	120	67.7 Å²	67.7	52%	0.522	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-46.7	176	-73.8	174.4	-177.2	171.1	0	111.6	V266 M267 H268 H272 R273 I274	V266-K270 HydrophobicContact CG1-CD 4.48Å; V266-K270 WeakPolarHBondContact O-CG 3.26Å; V266-K270 PolarHBondContact O-N 3.27Å; V266-K270 VanDerWaalsContact O-N 3.12Å; M267-K270 PolarHBondContact O-N 3.36Å; H268-K270 PolarHBondContact O-N 3.25Å; K270-H272 VanDerWaalsContact C-N 3.34Å; K270-H272 PolarHBondContact O-N 2.77Å; K270-R273 WeakPolarHBondContact O-CB 3.48Å; K270-R273 PolarHBondContact O-N 2.94Å; K270-I274 VanDerWaalsContact O-CD1 3.24Å; K270-I274 WeakPolarHBondContact O-CD1 3.44Å; K270-I274 WeakPolarHBondContact O-CG1 3.4Å; K270-I274 PolarHBondContact O-N 2.8Å; K270-I274 VanDerWaalsContact O-N 3.12Å
271	V	63.8	Low	68	Low	2 Å²	2	72.3 Å²	72.3	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.6	172	0	0	0	0	110.3	L39 Q42 L46 V157 M267 H268 R273 I274 E275	L39-V271 HydrophobicContact CD2-CB 4.44Å; L39-V271 HydrophobicContact CD2-CG2 4.1Å; Q42-V271 HydrophobicContact CB-CG1 3.92Å; L46-V271 HydrophobicContact CD1-CG1 4.2Å; V157-V271 HydrophobicContact CG2-CG2 4.23Å; M267-V271 WeakPolarHBondContact O-CG2 3.18Å; M267-V271 PolarHBondContact O-N 3.45Å; H268-V271 PolarHBondContact O-N 2.98Å; V271-R273 VanDerWaalsContact C-N 3.32Å; V271-R273 PolarHBondContact O-N 3.46Å; V271-I274 WeakPolarHBondContact O-CB 3.34Å; V271-I274 PolarHBondContact O-N 2.91Å; V271-E275 HydrophobicContact CG1-CG 4.4Å; V271-E275 WeakPolarHBondContact O-CG 3.42Å; V271-E275 PolarHBondContact O-N 3.18Å
272	H	72.1	Confident	68	Low	116 Å²	116	72.5 Å²	72.5	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-40.2	177.7	-172.5	-82.3	0	0	0	112.8	H268 K270 I274 E275 S276	H268-H272 VanDerWaalsContact O-CB 3.29Å; H268-H272 WeakPolarHBondContact O-CB 3.22Å; H268-H272 PolarHBondContact O-N 3.39Å; K270-H272 VanDerWaalsContact C-N 3.34Å; K270-H272 PolarHBondContact O-N 2.77Å; H272-I274 VanDerWaalsContact C-N 3.28Å; H272-I274 PolarHBondContact O-N 2.94Å; H272-E275 PolarHBondContact O-N 3.14Å; H272-S276 PolarHBondContact O-N 3.23Å
273	R	71.3	Confident	68.2	Low	179 Å²	179	73 Å²	73	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-60.7	-40.2	174.5	-178.2	176.3	179.9	154	2.4	111.8	A269 K270 V271 S276 Q277	A269-R273 PolarHBondContact O-N 3.37Å; K270-R273 WeakPolarHBondContact O-CB 3.48Å; K270-R273 PolarHBondContact O-N 2.94Å; V271-R273 VanDerWaalsContact C-N 3.32Å; V271-R273 PolarHBondContact O-N 3.46Å; R273-S276 WeakPolarHBondContact O-CB 3.22Å; R273-S276 PolarHBondContact O-N 3.43Å; R273-Q277 WeakPolarHBondContact O-CG 3.13Å; R273-Q277 PolarHBondContact O-N 3.4Å; R273-Q277 VanDerWaalsContact O-N 3.08Å
274	I	62.7	Low	68.5	Low	16 Å²	16	74.5 Å²	74.5	8%	0.082	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-44.1	-179.6	-63	159.5	0	0	0	110.4	L46 L153 K270 V271 H272 S276 Q277 L278	L46-I274 HydrophobicContact CD2-CG2 4.45Å; L153-I274 HydrophobicContact CB-CD1 3.93Å; L153-I274 HydrophobicContact CD1-CB 4.22Å; L153-I274 HydrophobicContact CD1-CD1 3.61Å; L153-I274 HydrophobicContact CD1-CG1 3.48Å; L153-I274 VanDerWaalsContact CD1-CG1 3.48Å; L153-I274 HydrophobicContact CD1-CG2 3.75Å; L153-I274 HydrophobicContact CD2-CD1 3.43Å; L153-I274 VanDerWaalsContact CD2-CD1 3.43Å; L153-I274 HydrophobicContact CD2-CG1 4.08Å; L153-I274 HydrophobicContact CG-CD1 3.81Å; L153-I274 HydrophobicContact CG-CG1 4.23Å; K270-I274 VanDerWaalsContact O-CD1 3.24Å; K270-I274 WeakPolarHBondContact O-CD1 3.44Å; K270-I274 WeakPolarHBondContact O-CG1 3.4Å; K270-I274 PolarHBondContact O-N 2.8Å; K270-I274 VanDerWaalsContact O-N 3.12Å; V271-I274 WeakPolarHBondContact O-CB 3.34Å; V271-I274 PolarHBondContact O-N 2.91Å; H272-I274 VanDerWaalsContact C-N 3.28Å; H272-I274 PolarHBondContact O-N 2.94Å; I274-S276 PolarHBondContact O-N 3.01Å; I274-Q277 PolarHBondContact O-N 3.02Å; I274-Q277 VanDerWaalsContact O-N 3.14Å; I274-L278 HydrophobicContact CG2-CD1 3.92Å; I274-L278 PolarHBondContact O-N 2.91Å
275	E	63	Low	68.5	Low	31 Å²	31	75.3 Å²	75.3	15%	0.145	37%	0.365	C	S	.	.	H	α-helix	trans	-56.5	-40.6	172.9	-72.7	179.4	154.1	0	0	111.4	Q42 L46 V271 H272 R279	Q42-E275 VanDerWaalsContact CB-OE1 3.29Å; Q42-E275 WeakPolarHBondContact CB-OE1 3.26Å; Q42-E275 VanDerWaalsContact CG-OE1 3.27Å; Q42-E275 WeakPolarHBondContact CG-OE1 3.42Å; L46-E275 HydrophobicContact CD1-CG 4.32Å; L46-E275 HydrophobicContact CD2-CG 3.83Å; L46-E275 HydrophobicContact CG-CG 4.2Å; V271-E275 HydrophobicContact CG1-CG 4.4Å; V271-E275 WeakPolarHBondContact O-CG 3.42Å; V271-E275 PolarHBondContact O-N 3.18Å; H272-E275 PolarHBondContact O-N 3.14Å; E275-R279 VanDerWaalsContact O-CB 3.31Å; E275-R279 WeakPolarHBondContact O-CB 3.09Å; E275-R279 PolarHBondContact O-N 3.45Å
276	S	76.6	Confident	68.7	Low	68 Å²	68	74.3 Å²	74.3	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-43.4	175.4	-173.6	0	0	0	0	112.5	H272 R273 I274 R279 D280	H272-S276 PolarHBondContact O-N 3.23Å; R273-S276 WeakPolarHBondContact O-CB 3.22Å; R273-S276 PolarHBondContact O-N 3.43Å; I274-S276 PolarHBondContact O-N 3.01Å; S276-R279 PolarHBondContact O-N 2.92Å; S276-D280 PolarHBondContact O-N 3.44Å
277	Q	69.2	Low	69	Low	77 Å²	77	73.8 Å²	73.8	36%	0.36	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-42.3	179.4	-70.1	-179.9	-65.6	0	0	111.7	R273 I274 R279 D280 Y281	R273-Q277 WeakPolarHBondContact O-CG 3.13Å; R273-Q277 PolarHBondContact O-N 3.4Å; R273-Q277 VanDerWaalsContact O-N 3.08Å; I274-Q277 PolarHBondContact O-N 3.02Å; I274-Q277 VanDerWaalsContact O-N 3.14Å; Q277-R279 VanDerWaalsContact C-N 3.31Å; Q277-R279 PolarHBondContact O-N 2.84Å; Q277-D280 PolarHBondContact O-N 2.98Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.21Å; Q277-Y281 PolarHBondContact O-N 3.07Å; Q277-Y281 VanDerWaalsContact O-N 3.09Å
278	L	59.9	Low	69	Low	17 Å²	17	74.6 Å²	74.6	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-37	176.5	-78.8	165	0	0	0	112.3	L46 T150 I274 Y281 H282	L46-L278 HydrophobicContact CD2-CD1 3.23Å; T150-L278 HydrophobicContact CG2-CD1 4.05Å; T150-L278 HydrophobicContact CG2-CD2 4.24Å; I274-L278 HydrophobicContact CG2-CD1 3.92Å; I274-L278 PolarHBondContact O-N 2.91Å; L278-Y281 PolarHBondContact O-N 3.25Å; L278-H282 VanDerWaalsContact O-CB 3.24Å; L278-H282 WeakPolarHBondContact O-CB 3.37Å; L278-H282 PolarHBondContact O-N 2.93Å
279	R	68.8	Low	68.9	Low	162 Å²	162	74.6 Å²	74.6	61%	0.611	36%	0.364	S	S	*	.	H	α-helix	trans	-62.2	-44.1	175.9	-162.9	-175.8	-48.7	-87.4	-4.3	111.6	E275 S276 Q277 H282 E283	E275-R279 VanDerWaalsContact O-CB 3.31Å; E275-R279 WeakPolarHBondContact O-CB 3.09Å; E275-R279 PolarHBondContact O-N 3.45Å; S276-R279 PolarHBondContact O-N 2.92Å; Q277-R279 VanDerWaalsContact C-N 3.31Å; Q277-R279 PolarHBondContact O-N 2.84Å; R279-H282 PolarHBondContact O-N 2.93Å; R279-E283 WeakPolarHBondContact O-CB 3.49Å; R279-E283 PolarHBondContact O-N 2.83Å
280	D	73.8	Confident	69.2	Low	85 Å²	85	78.1 Å²	78.1	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-46.9	176.6	-176.2	34.7	0	0	0	111.5	S276 Q277 H282 E283 Q284	S276-D280 PolarHBondContact O-N 3.44Å; Q277-D280 PolarHBondContact O-N 2.98Å; D280-H282 VanDerWaalsContact C-N 3.33Å; D280-H282 PolarHBondContact O-N 3.43Å; D280-E283 PolarHBondContact O-N 2.95Å; D280-Q284 WeakPolarHBondContact O-CG 3.49Å; D280-Q284 PolarHBondContact O-N 3.39Å; D280-Q284 PolarHBondContact OD1-NE2 3.29Å; D280-Q284 PolarHBondContact OD2-NE2 3.34Å
281	Y	63.8	Low	69.3	Low	97 Å²	97	78.7 Å²	78.7	38%	0.38	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-41.9	174	-70.8	-58.4	0	0	0	112.5	A146 Q277 L278 E283 Q284 L285	A146-Y281 HydrophobicContact CB-CD2 4.29Å; A146-Y281 HydrophobicContact CB-CE2 4.21Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.21Å; Q277-Y281 PolarHBondContact O-N 3.07Å; Q277-Y281 VanDerWaalsContact O-N 3.09Å; L278-Y281 PolarHBondContact O-N 3.25Å; Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 3.09Å; Y281-Q284 PolarHBondContact O-N 2.89Å; Y281-L285 WeakPolarHBondContact O-CG 3.49Å; Y281-L285 PolarHBondContact O-N 3.36Å
282	H	64.7	Low	69.3	Low	60 Å²	60	79.2 Å²	79.2	28%	0.278	37%	0.37	S	S	.	.	H	α-helix	trans	-67.9	-31.1	-179.8	-164.7	86.5	0	0	0	112.7	D53 R56 L278 R279 D280 P286	D53-H282 IonicContact OD1-CE1 3.19Å; D53-H282 IonicContact OD1-ND1 3.65Å; D53-H282 PolarHBondContact OD1-ND1 3.39Å; D53-H282 VanDerWaalsContact OD1-ND1 3.13Å; R56-H282 PolarHBondContact NH1-CE1 3.22Å; R56-H282 PolarHBondContact NH1-ND1 2.98Å; R56-H282 PolarHBondContact NH1-NE2 2.8Å; R56-H282 PolarHBondContact NH2-CE1 2.9Å; R56-H282 VanDerWaalsContact NH2-CE1 3.3Å; R56-H282 PolarHBondContact NH2-NE2 2.96Å; L278-H282 VanDerWaalsContact O-CB 3.24Å; L278-H282 WeakPolarHBondContact O-CB 3.37Å; L278-H282 PolarHBondContact O-N 2.93Å; R279-H282 PolarHBondContact O-N 2.93Å; D280-H282 VanDerWaalsContact C-N 3.33Å; D280-H282 PolarHBondContact O-N 3.43Å; H282-P286 WeakPolarHBondContact O-CD 3.43Å
283	E	75.2	Confident	69.1	Low	147 Å²	147	77.1 Å²	77.1	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-74.1	-31.9	174.8	-170.3	166.6	-169.9	0	0	112	R279 D280 Y281	R279-E283 WeakPolarHBondContact O-CB 3.49Å; R279-E283 PolarHBondContact O-N 2.83Å; D280-E283 PolarHBondContact O-N 2.95Å; Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 3.09Å
284	Q	73.9	Confident	69.5	Low	85 Å²	85	72.5 Å²	72.5	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-75.8	-30.8	175.2	-68.6	175.4	42	0	0	113.2	D280 Y281 S287 I288	D280-Q284 WeakPolarHBondContact O-CG 3.49Å; D280-Q284 PolarHBondContact O-N 3.39Å; D280-Q284 PolarHBondContact OD1-NE2 3.29Å; D280-Q284 PolarHBondContact OD2-NE2 3.34Å; Y281-Q284 PolarHBondContact O-N 2.89Å; Q284-S287 WeakPolarHBondContact O-CB 3.32Å; Q284-S287 PolarHBondContact O-N 3.48Å; Q284-S287 VanDerWaalsContact O-N 3.15Å; Q284-I288 HydrophobicContact CB-CD1 4.47Å; Q284-I288 WeakPolarHBondContact O-CG1 3.38Å; Q284-I288 PolarHBondContact O-N 3.43Å; Q284-I288 VanDerWaalsContact O-N 3.11Å
285	L	61.7	Low	69.8	Low	22 Å²	22	77.7 Å²	77.7	12%	0.115	37%	0.368	C	S	.	.	H	α-helix	trans	-53.3	-50.9	-176	-86.3	172.8	0	0	0	114	I143 Y281 S287 I288 E289	I143-L285 HydrophobicContact CD1-CD2 4.28Å; Y281-L285 WeakPolarHBondContact O-CG 3.49Å; Y281-L285 PolarHBondContact O-N 3.36Å; L285-S287 VanDerWaalsContact C-N 3.27Å; L285-S287 PolarHBondContact O-N 2.8Å; L285-I288 PolarHBondContact O-N 2.81Å; L285-I288 VanDerWaalsContact O-N 3.12Å; L285-E289 WeakPolarHBondContact O-CG 3.28Å; L285-E289 PolarHBondContact O-N 2.84Å
286	P	71.5	Confident	69.9	Low	61 Å²	61	77.7 Å²	77.7	40%	0.396	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-34.8	179.2	-25.9	34	0	0	0	113.9	H282 K290	H282-P286 WeakPolarHBondContact O-CD 3.43Å; P286-K290 VanDerWaalsContact O-CB 3.28Å; P286-K290 WeakPolarHBondContact O-CB 3.37Å; P286-K290 PolarHBondContact O-N 3.22Å
287	S	78.1	Confident	69.9	Low	68 Å²	68	79.9 Å²	79.9	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-67	-42.4	176.4	170	0	0	0	0	111.3	Q284 L285 R291	Q284-S287 WeakPolarHBondContact O-CB 3.32Å; Q284-S287 PolarHBondContact O-N 3.48Å; Q284-S287 VanDerWaalsContact O-N 3.15Å; L285-S287 VanDerWaalsContact C-N 3.27Å; L285-S287 PolarHBondContact O-N 2.8Å; S287-R291 WeakPolarHBondContact O-CB 3.23Å; S287-R291 VanDerWaalsContact O-CG 3.3Å; S287-R291 WeakPolarHBondContact O-CG 3.01Å; S287-R291 PolarHBondContact O-N 3.44Å
288	I	66.1	Low	70.3	Confident	37 Å²	37	80.5 Å²	80.5	19%	0.19	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-48.6	176.1	-63.6	168.8	0	0	0	110.1	Q284 L285 K290 R291 V292	Q284-I288 HydrophobicContact CB-CD1 4.47Å; Q284-I288 WeakPolarHBondContact O-CG1 3.38Å; Q284-I288 PolarHBondContact O-N 3.43Å; Q284-I288 VanDerWaalsContact O-N 3.11Å; L285-I288 PolarHBondContact O-N 2.81Å; L285-I288 VanDerWaalsContact O-N 3.12Å; I288-K290 VanDerWaalsContact C-N 3.34Å; I288-K290 PolarHBondContact O-N 2.9Å; I288-R291 PolarHBondContact O-N 2.87Å; I288-V292 HydrophobicContact CG2-CG2 4.48Å; I288-V292 WeakPolarHBondContact O-CG2 3.2Å; I288-V292 PolarHBondContact O-N 2.88Å
289	E	65.2	Low	70.3	Confident	54 Å²	54	81.8 Å²	81.8	25%	0.252	38%	0.384	S	S	.	.	H	α-helix	trans	-55.1	-49.1	176.9	-75.5	173.2	178.3	0	0	111.1	R56 L285 R291 V292 M293	R56-E289 WeakPolarHBondContact CD-OE1 3.45Å; L285-E289 WeakPolarHBondContact O-CG 3.28Å; L285-E289 PolarHBondContact O-N 2.84Å; E289-R291 PolarHBondContact O-N 3.44Å; E289-V292 PolarHBondContact O-N 3.48Å; E289-M293 VanDerWaalsContact O-CG 3.31Å; E289-M293 WeakPolarHBondContact O-CG 3.39Å; E289-M293 PolarHBondContact O-N 2.93Å
290	K	79.7	Confident	70.3	Confident	137 Å²	137	78.8 Å²	78.8	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-59.7	-47.2	177.7	-176	177.9	178.8	-178.7	0	112.2	P286 I288 V292 M293 D294	P286-K290 VanDerWaalsContact O-CB 3.28Å; P286-K290 WeakPolarHBondContact O-CB 3.37Å; P286-K290 PolarHBondContact O-N 3.22Å; I288-K290 VanDerWaalsContact C-N 3.34Å; I288-K290 PolarHBondContact O-N 2.9Å; K290-V292 VanDerWaalsContact C-N 3.28Å; K290-V292 PolarHBondContact O-N 3.39Å; K290-M293 PolarHBondContact O-N 3.41Å; K290-D294 WeakPolarHBondContact O-CB 3.17Å; K290-D294 VanDerWaalsContact O-CG 3.23Å; K290-D294 PolarHBondContact O-N 2.85Å
291	R	73.7	Confident	70.4	Confident	132 Å²	132	80 Å²	80	50%	0.498	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-36.5	179.1	-76.7	172.7	57.4	-158.3	-6.4	112.8	Y135 S287 I288 E289 R295	Y135-R291 VanDerWaalsContact OH-CZ 3.27Å; Y135-R291 PolarHBondContact OH-NH1 2.94Å; Y135-R291 PolarHBondContact OH-NH2 3.12Å; Y135-R291 VanDerWaalsContact OH-NH2 3.1Å; S287-R291 WeakPolarHBondContact O-CB 3.23Å; S287-R291 VanDerWaalsContact O-CG 3.3Å; S287-R291 WeakPolarHBondContact O-CG 3.01Å; S287-R291 PolarHBondContact O-N 3.44Å; I288-R291 PolarHBondContact O-N 2.87Å; E289-R291 PolarHBondContact O-N 3.44Å; R291-R295 WeakPolarHBondContact O-CB 3.39Å; R291-R295 PolarHBondContact O-N 3.44Å
292	V	64.6	Low	70.7	Confident	12 Å²	12	78.2 Å²	78.2	7%	0.073	38%	0.38	C	S	.	.	H	α-helix	trans	-67.7	-46.8	175.4	171.3	0	0	0	0	110	Y135 I288 E289 K290 R295 I296	Y135-V292 HydrophobicContact CE1-CG2 4.17Å; I288-V292 HydrophobicContact CG2-CG2 4.48Å; I288-V292 WeakPolarHBondContact O-CG2 3.2Å; I288-V292 PolarHBondContact O-N 2.88Å; E289-V292 PolarHBondContact O-N 3.48Å; K290-V292 VanDerWaalsContact C-N 3.28Å; K290-V292 PolarHBondContact O-N 3.39Å; V292-R295 PolarHBondContact O-N 3.39Å; V292-I296 HydrophobicContact CG1-CD1 3.82Å; V292-I296 WeakPolarHBondContact O-CG1 3.15Å; V292-I296 PolarHBondContact O-N 2.97Å
293	M	68	Low	70.6	Confident	73 Å²	73	77.5 Å²	77.5	36%	0.36	38%	0.378	S	S	.	.	H	α-helix	trans	-60.8	-50.4	177.9	-70.8	-63.5	-64.5	0	0	112.4	L63 E289 K290 R295 I296 E297	L63-M293 HydrophobicContact CD1-SD 4.31Å; L63-M293 HydrophobicContact CD2-SD 4.42Å; E289-M293 VanDerWaalsContact O-CG 3.31Å; E289-M293 WeakPolarHBondContact O-CG 3.39Å; E289-M293 PolarHBondContact O-N 2.93Å; K290-M293 PolarHBondContact O-N 3.41Å; M293-R295 PolarHBondContact O-N 3.43Å; M293-I296 PolarHBondContact O-N 2.88Å; M293-I296 VanDerWaalsContact O-N 3.12Å; M293-E297 PolarHBondContact O-N 2.9Å
294	D	79.4	Confident	70.2	Confident	81 Å²	81	72.5 Å²	72.5	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-57.6	-36.5	178.7	-67.9	-13.6	0	0	0	111.4	K290 N298	K290-D294 WeakPolarHBondContact O-CB 3.17Å; K290-D294 VanDerWaalsContact O-CG 3.23Å; K290-D294 PolarHBondContact O-N 2.85Å; D294-N298 WeakPolarHBondContact O-CB 3.09Å; D294-N298 PolarHBondContact O-N 3.03Å; D294-N298 VanDerWaalsContact O-N 3.08Å
295	R	69.9	Low	70.4	Confident	125 Å²	125	74.3 Å²	74.3	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-75.4	-36.1	179.7	-164.4	160.3	179.1	157.8	-5.2	112.4	L132 R291 V292 M293 M299	L132-R295 HydrophobicContact CD1-CG 4.16Å; R291-R295 WeakPolarHBondContact O-CB 3.39Å; R291-R295 PolarHBondContact O-N 3.44Å; V292-R295 PolarHBondContact O-N 3.39Å; M293-R295 PolarHBondContact O-N 3.43Å; R295-M299 WeakPolarHBondContact O-CB 3.14Å; R295-M299 PolarHBondContact O-N 2.9Å; R295-M299 VanDerWaalsContact O-N 3.15Å
296	I	64.7	Low	70.6	Confident	31 Å²	31	74.8 Å²	74.8	16%	0.159	38%	0.376	C	S	.	.	H	α-helix	trans	-63.8	-47.5	172.4	-70.6	168.5	0	0	0	110	L67 V292 M293 M299 D300	L67-I296 HydrophobicContact CD1-CD1 4.35Å; L67-I296 HydrophobicContact CD1-CG1 4.18Å; L67-I296 HydrophobicContact CD1-CG2 3.94Å; V292-I296 HydrophobicContact CG1-CD1 3.82Å; V292-I296 WeakPolarHBondContact O-CG1 3.15Å; V292-I296 PolarHBondContact O-N 2.97Å; M293-I296 PolarHBondContact O-N 2.88Å; M293-I296 VanDerWaalsContact O-N 3.12Å; I296-M299 PolarHBondContact O-N 3.22Å; I296-D300 PolarHBondContact O-N 3.19Å
297	E	75.9	Confident	70.2	Confident	115 Å²	115	74.3 Å²	74.3	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-47.5	179.8	-73.9	-179.5	-178.3	0	0	112.1	M293 M299 D300 E301	M293-E297 PolarHBondContact O-N 2.9Å; E297-M299 VanDerWaalsContact C-N 3.27Å; E297-M299 PolarHBondContact O-N 3.01Å; E297-D300 PolarHBondContact O-N 2.71Å; E297-E301 PolarHBondContact O-N 2.98Å
298	N	77.5	Confident	70.2	Confident	89 Å²	89	77.3 Å²	77.3	48%	0.476	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-36.5	177.1	-177.4	27.8	0	0	0	112.3	D294 N302	D294-N298 WeakPolarHBondContact O-CB 3.09Å; D294-N298 PolarHBondContact O-N 3.03Å; D294-N298 VanDerWaalsContact O-N 3.08Å; N298-N302 WeakPolarHBondContact O-CB 3.17Å; N298-N302 VanDerWaalsContact O-CG 3.25Å; N298-N302 PolarHBondContact O-N 2.93Å; N298-N302 PolarHBondContact O-ND2 3.15Å; N298-N302 PolarHBondContact OD1-ND2 3.3Å
299	M	61.2	Low	70.8	Confident	44 Å²	44	82.6 Å²	82.6	22%	0.217	40%	0.398	C	S	.	.	H	α-helix	trans	-71.7	-41.8	177.8	-169	170.9	64.5	0	0	112	Q128 L132 R295 I296 E297 E301 N302 L303	Q128-M299 HydrophobicContact CB-SD 4.42Å; L132-M299 HydrophobicContact CD2-CE 3.84Å; R295-M299 WeakPolarHBondContact O-CB 3.14Å; R295-M299 PolarHBondContact O-N 2.9Å; R295-M299 VanDerWaalsContact O-N 3.15Å; I296-M299 PolarHBondContact O-N 3.22Å; E297-M299 VanDerWaalsContact C-N 3.27Å; E297-M299 PolarHBondContact O-N 3.01Å; M299-E301 VanDerWaalsContact C-N 3.3Å; M299-E301 PolarHBondContact O-N 2.99Å; M299-N302 PolarHBondContact O-N 3.25Å; M299-L303 VanDerWaalsContact O-CB 3.22Å; M299-L303 WeakPolarHBondContact O-CB 3.44Å; M299-L303 PolarHBondContact O-N 2.82Å
300	D	66.9	Low	70.8	Confident	99 Å²	99	84.3 Å²	84.3	53%	0.529	41%	0.408	S	S	.	.	H	α-helix	trans	-59.7	-41.5	174.7	-167.9	64.4	0	0	0	111	I296 E297 G304	I296-D300 PolarHBondContact O-N 3.19Å; E297-D300 PolarHBondContact O-N 2.71Å; D300-G304 PolarHBondContact O-N 3.25Å
301	E	75.8	Confident	70.4	Confident	111 Å²	111	84.9 Å²	84.9	52%	0.519	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-48.7	172.6	-78.9	-165.6	-171.5	0	0	113.3	E297 M299 L303 G304 R305	E297-E301 PolarHBondContact O-N 2.98Å; M299-E301 VanDerWaalsContact C-N 3.3Å; M299-E301 PolarHBondContact O-N 2.99Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.43Å; E301-G304 PolarHBondContact O-N 3.29Å; E301-R305 WeakPolarHBondContact O-CB 3.37Å; E301-R305 WeakPolarHBondContact O-CG 3.19Å; E301-R305 PolarHBondContact O-N 3.28Å; E301-R305 IonicContact OE2-CZ 2.65Å; E301-R305 IonicContact OE2-NH1 2.73Å; E301-R305 PolarHBondContact OE2-NH1 3.32Å; E301-R305 IonicContact OE2-NH2 2.92Å
302	N	72.1	Confident	70.8	Confident	60 Å²	60	83.2 Å²	83.2	32%	0.321	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-43.9	-179.3	-77.6	-41.8	0	0	0	111.4	N298 M299 R305 A306	N298-N302 WeakPolarHBondContact O-CB 3.17Å; N298-N302 VanDerWaalsContact O-CG 3.25Å; N298-N302 PolarHBondContact O-N 2.93Å; N298-N302 PolarHBondContact O-ND2 3.15Å; N298-N302 PolarHBondContact OD1-ND2 3.3Å; M299-N302 PolarHBondContact O-N 3.25Å; N302-R305 PolarHBondContact O-N 2.98Å; N302-R305 PolarHBondContact OD1-NH2 3.23Å; N302-A306 PolarHBondContact O-N 2.95Å
303	L	61.8	Low	71.4	Confident	45 Å²	45	85.4 Å²	85.4	24%	0.236	42%	0.418	C	S	.	.	H	α-helix	trans	-67.1	-44.4	177	-175.5	64.6	0	0	0	111.2	L74 M299 E301 R305 A306 V307	L74-L303 HydrophobicContact CD1-CD2 3.47Å; L74-L303 VanDerWaalsContact CD1-CD2 3.47Å; L74-L303 HydrophobicContact CD2-CD2 4.34Å; M299-L303 VanDerWaalsContact O-CB 3.22Å; M299-L303 WeakPolarHBondContact O-CB 3.44Å; M299-L303 PolarHBondContact O-N 2.82Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.43Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 3.35Å; L303-A306 PolarHBondContact O-N 3.43Å; L303-A306 VanDerWaalsContact O-N 3.09Å; L303-V307 HydrophobicContact CD1-CG2 4.32Å; L303-V307 HydrophobicContact CG-CG2 4.38Å; L303-V307 WeakPolarHBondContact O-CG2 3.46Å; L303-V307 PolarHBondContact O-N 3.29Å
304	G	67.6	Low	71.2	Confident	42 Å²	42	85.1 Å²	85.1	43%	0.433	42%	0.42	S	S	.	.	H	α-helix	trans	-56.6	-41.8	174.3	0	0	0	0	0	112.2	D300 E301 K308	D300-G304 PolarHBondContact O-N 3.25Å; E301-G304 PolarHBondContact O-N 3.29Å; G304-K308 VanDerWaalsContact O-CB 3.31Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.44Å
305	R	76.6	Confident	71	Confident	123 Å²	123	84 Å²	84	46%	0.464	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-43.9	173	-74.1	-170.2	-71.9	-105.5	5.8	112.3	E301 N302 L303 K308 K309	E301-R305 WeakPolarHBondContact O-CB 3.37Å; E301-R305 WeakPolarHBondContact O-CG 3.19Å; E301-R305 PolarHBondContact O-N 3.28Å; E301-R305 IonicContact OE2-CZ 2.65Å; E301-R305 IonicContact OE2-NH1 2.73Å; E301-R305 PolarHBondContact OE2-NH1 3.32Å; E301-R305 IonicContact OE2-NH2 2.92Å; N302-R305 PolarHBondContact O-N 2.98Å; N302-R305 PolarHBondContact OD1-NH2 3.23Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 3.35Å; R305-K308 PolarHBondContact O-N 3.39Å; R305-K309 WeakPolarHBondContact O-CG 3.21Å; R305-K309 PolarHBondContact O-N 3.43Å
306	A	66.3	Low	71.3	Confident	31 Å²	31	82.3 Å²	82.3	26%	0.256	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-47.4	179	0	0	0	0	0	112.1	N302 L303 K308 K309 L310	N302-A306 PolarHBondContact O-N 2.95Å; L303-A306 PolarHBondContact O-N 3.43Å; L303-A306 VanDerWaalsContact O-N 3.09Å; A306-K308 VanDerWaalsContact C-N 3.3Å; A306-K308 PolarHBondContact O-N 2.98Å; A306-K309 PolarHBondContact O-N 3.08Å; A306-L310 WeakPolarHBondContact O-CB 3.23Å; A306-L310 PolarHBondContact O-N 2.93Å
307	V	62.4	Low	71.8	Confident	51 Å²	51	86.1 Å²	86.1	31%	0.309	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-40.3	176.5	172	0	0	0	0	111	L303 L310 K311	L303-V307 HydrophobicContact CD1-CG2 4.32Å; L303-V307 HydrophobicContact CG-CG2 4.38Å; L303-V307 WeakPolarHBondContact O-CG2 3.46Å; L303-V307 PolarHBondContact O-N 3.29Å; V307-L310 PolarHBondContact O-N 3.12Å; V307-K311 HydrophobicContact CG1-CD 4.32Å; V307-K311 WeakPolarHBondContact O-CG 3.2Å; V307-K311 PolarHBondContact O-N 3.42Å
308	K	78.7	Confident	71.4	Confident	131 Å²	131	84.1 Å²	84.1	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-61.3	-49.5	175.5	-177	178	174.8	-178.7	0	111.7	G304 R305 A306 L310 K311 E312	G304-K308 VanDerWaalsContact O-CB 3.31Å; G304-K308 WeakPolarHBondContact O-CB 3.4Å; G304-K308 PolarHBondContact O-N 3.44Å; R305-K308 PolarHBondContact O-N 3.39Å; A306-K308 VanDerWaalsContact C-N 3.3Å; A306-K308 PolarHBondContact O-N 2.98Å; K308-L310 VanDerWaalsContact C-N 3.3Å; K308-L310 PolarHBondContact O-N 3.49Å; K308-K311 PolarHBondContact O-N 3.29Å; K308-E312 WeakPolarHBondContact CE-OE1 3.49Å; K308-E312 WeakPolarHBondContact O-CG 3.34Å; K308-E312 PolarHBondContact O-N 2.9Å
309	K	78.2	Confident	71.5	Confident	149 Å²	149	86.7 Å²	86.7	65%	0.648	44%	0.438	S	S	*	.	H	α-helix	trans	-59.4	-41.3	176.7	-74.7	-179.2	177.8	-175.2	0	112.1	R305 A306 E312 H313	R305-K309 WeakPolarHBondContact O-CG 3.21Å; R305-K309 PolarHBondContact O-N 3.43Å; A306-K309 PolarHBondContact O-N 3.08Å; K309-E312 PolarHBondContact O-N 2.98Å; K309-H313 WeakPolarHBondContact O-CB 3.32Å; K309-H313 PolarHBondContact O-N 3.25Å
310	L	66.1	Low	72.4	Confident	89 Å²	89	86.6 Å²	86.6	47%	0.466	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-44.9	177.5	-176.1	65.6	0	0	0	111.5	A306 V307 K308 E312 H313 V314	A306-L310 WeakPolarHBondContact O-CB 3.23Å; A306-L310 PolarHBondContact O-N 2.93Å; V307-L310 PolarHBondContact O-N 3.12Å; K308-L310 VanDerWaalsContact C-N 3.3Å; K308-L310 PolarHBondContact O-N 3.49Å; L310-E312 VanDerWaalsContact C-N 3.33Å; L310-E312 PolarHBondContact O-N 3.21Å; L310-H313 PolarHBondContact O-N 3.3Å; L310-V314 VanDerWaalsContact O-CG2 3.27Å; L310-V314 WeakPolarHBondContact O-CG2 3.37Å; L310-V314 PolarHBondContact O-N 3.15Å
311	K	71.8	Confident	72.8	Confident	149 Å²	149	85 Å²	85	65%	0.648	44%	0.436	S	S	*	.	H	α-helix	trans	-59.6	-43.6	175.2	-77.6	178.5	176.4	-178.4	0	112	V307 K308 A315	V307-K311 HydrophobicContact CG1-CD 4.32Å; V307-K311 WeakPolarHBondContact O-CG 3.2Å; V307-K311 PolarHBondContact O-N 3.42Å; K308-K311 PolarHBondContact O-N 3.29Å; K311-A315 WeakPolarHBondContact O-CB 3.19Å; K311-A315 PolarHBondContact O-N 3.1Å
312	E	80.3	Confident	72.4	Confident	98 Å²	98	83.8 Å²	83.8	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-47.8	175.6	-72.3	169.3	-179.5	0	0	110.8	K308 K309 L310 V314 A315 T316	K308-E312 WeakPolarHBondContact CE-OE1 3.49Å; K308-E312 WeakPolarHBondContact O-CG 3.34Å; K308-E312 PolarHBondContact O-N 2.9Å; K309-E312 PolarHBondContact O-N 2.98Å; L310-E312 VanDerWaalsContact C-N 3.33Å; L310-E312 PolarHBondContact O-N 3.21Å; E312-V314 PolarHBondContact O-N 3.4Å; E312-A315 PolarHBondContact O-N 3.5Å; E312-A315 VanDerWaalsContact O-N 3.11Å; E312-T316 WeakPolarHBondContact O-CG2 3.29Å; E312-T316 PolarHBondContact O-N 3.3Å; E312-T316 PolarHBondContact O-OG1 3.31Å
313	H	77.9	Confident	72.8	Confident	58 Å²	58	83.9 Å²	83.9	27%	0.269	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-42.8	177.9	-172.5	83.5	0	0	0	112.7	K309 L310 A315 T316 E317 I318	K309-H313 WeakPolarHBondContact O-CB 3.32Å; K309-H313 PolarHBondContact O-N 3.25Å; L310-H313 PolarHBondContact O-N 3.3Å; H313-A315 VanDerWaalsContact C-N 3.3Å; H313-A315 PolarHBondContact O-N 3.48Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-E317 WeakPolarHBondContact O-CB 3.44Å; H313-E317 PolarHBondContact O-N 2.95Å; H313-I318 PolarHBondContact O-N 3.29Å
314	V	64.2	Low	73.5	Confident	66 Å²	66	90.6 Å²	90.6	40%	0.4	46%	0.455	S	S	.	.	I	π-helix	trans	-60.1	-43.3	174.5	171.5	0	0	0	0	110.4	L310 E312 I318 W319	L310-V314 VanDerWaalsContact O-CG2 3.27Å; L310-V314 WeakPolarHBondContact O-CG2 3.37Å; L310-V314 PolarHBondContact O-N 3.15Å; E312-V314 PolarHBondContact O-N 3.4Å; V314-I318 HydrophobicContact CG2-CD1 4.03Å; V314-I318 PolarHBondContact O-N 3.43Å; V314-W319 WeakPolarHBondContact O-CB 3.39Å; V314-W319 PolarHBondContact O-N 3.34Å
315	A	74.8	Confident	73.7	Confident	59 Å²	59	92.9 Å²	92.9	49%	0.488	46%	0.461	S	S	.	.	I	π-helix	trans	-70.3	-33.7	-179.7	0	0	0	0	0	113.6	K311 E312 H313 P320	K311-A315 WeakPolarHBondContact O-CB 3.19Å; K311-A315 PolarHBondContact O-N 3.1Å; E312-A315 PolarHBondContact O-N 3.5Å; E312-A315 VanDerWaalsContact O-N 3.11Å; H313-A315 VanDerWaalsContact C-N 3.3Å; H313-A315 PolarHBondContact O-N 3.48Å; A315-P320 WeakPolarHBondContact O-CD 3.32Å
316	T	77.5	Confident	73.6	Confident	88 Å²	88	89.5 Å²	89.5	54%	0.54	45%	0.451	S	S	.	.	I	π-helix	trans	-95	-40.9	-174.6	57.9	0	0	0	0	113.9	E312 H313 P320	E312-T316 WeakPolarHBondContact O-CG2 3.29Å; E312-T316 PolarHBondContact O-N 3.3Å; E312-T316 PolarHBondContact O-OG1 3.31Å; H313-T316 PolarHBondContact O-N 2.93Å; T316-P320 WeakPolarHBondContact O-CD 3.39Å; T316-P320 WeakPolarHBondContact O-CG 3.46Å
317	E	73.4	Confident	74.4	Confident	112 Å²	112	91.3 Å²	91.3	52%	0.523	46%	0.457	S	S	.	.	I	π-helix	trans	-102.9	-37.6	-171.1	-61.8	-65	162.7	0	0	112.3	H313 P321	H313-E317 WeakPolarHBondContact O-CB 3.44Å; H313-E317 PolarHBondContact O-N 2.95Å; E317-P321 WeakPolarHBondContact O-CD 3.25Å; E317-P321 WeakPolarHBondContact O-CG 3.35Å
318	I	68	Low	75.1	Confident	73 Å²	73	94 Å²	94	37%	0.374	47%	0.469	S	S	.	.	I	π-helix	trans	-92.1	-48.1	-173.8	-60.6	173.6	0	0	0	111.4	L113 H313 V314 P321 L322	L113-I318 HydrophobicContact CD2-CD1 4.34Å; H313-I318 PolarHBondContact O-N 3.29Å; V314-I318 HydrophobicContact CG2-CD1 4.03Å; V314-I318 PolarHBondContact O-N 3.43Å; I318-P321 WeakPolarHBondContact O-CD 3.49Å; I318-L322 WeakPolarHBondContact O-CB 3.29Å; I318-L322 PolarHBondContact O-N 3.21Å
319	W	79.1	Confident	74.7	Confident	143 Å²	143	90.4 Å²	90.4	54%	0.542	46%	0.464	S	S	.	.	H	α-helix	trans	-63.9	-45.5	-174.3	179.7	-110	0	0	0	113.7	V314 L322 N323	V314-W319 WeakPolarHBondContact O-CB 3.39Å; V314-W319 PolarHBondContact O-N 3.34Å; W319-L322 HydrophobicContact CE3-CD2 4.32Å; W319-L322 HydrophobicContact CZ3-CD2 4.39Å; W319-L322 PolarHBondContact O-N 2.97Å; W319-N323 VanDerWaalsContact O-CB 3.29Å; W319-N323 WeakPolarHBondContact O-CB 3.47Å; W319-N323 PolarHBondContact O-N 3.33Å
320	P	81.6	Confident	74.8	Confident	42 Å²	42	89 Å²	89	27%	0.273	46%	0.459	S	S	.	.	H	α-helix	trans	-65.3	-44.3	-176.7	-21	34.6	0	0	0	113.8	A315 T316 N323 R324	A315-P320 WeakPolarHBondContact O-CD 3.32Å; T316-P320 WeakPolarHBondContact O-CD 3.39Å; T316-P320 WeakPolarHBondContact O-CG 3.46Å; P320-N323 PolarHBondContact O-N 2.91Å; P320-R324 WeakPolarHBondContact O-CB 3.49Å; P320-R324 VanDerWaalsContact O-CG 3.25Å; P320-R324 WeakPolarHBondContact O-CG 3.39Å; P320-R324 PolarHBondContact O-N 3.22Å
321	P	73.6	Confident	75.4	Confident	64 Å²	64	88.5 Å²	88.5	42%	0.416	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-40.5	172.9	-25.5	36.6	0	0	0	113.7	E317 I318 R324 T325	E317-P321 WeakPolarHBondContact O-CD 3.25Å; E317-P321 WeakPolarHBondContact O-CG 3.35Å; I318-P321 WeakPolarHBondContact O-CD 3.49Å; P321-R324 PolarHBondContact O-N 3.46Å; P321-T325 PolarHBondContact O-N 3.33Å; P321-T325 PolarHBondContact O-OG1 2.89Å
322	L	68.2	Low	75.5	Confident	87 Å²	87	85.5 Å²	85.5	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-49.4	176.6	179.8	62.5	0	0	0	110.8	I318 W319 R324 T325 I326	I318-L322 WeakPolarHBondContact O-CB 3.29Å; I318-L322 PolarHBondContact O-N 3.21Å; W319-L322 HydrophobicContact CE3-CD2 4.32Å; W319-L322 HydrophobicContact CZ3-CD2 4.39Å; W319-L322 PolarHBondContact O-N 2.97Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 2.94Å; L322-T325 WeakPolarHBondContact O-CA 3.4Å; L322-T325 WeakPolarHBondContact O-CB 3.41Å; L322-T325 PolarHBondContact O-N 3.35Å; L322-I326 HydrophobicContact CD1-CD1 4.39Å; L322-I326 HydrophobicContact CG-CD1 4.09Å; L322-I326 WeakPolarHBondContact O-CG1 3.39Å; L322-I326 PolarHBondContact O-N 3.27Å
323	N	80.3	Confident	75.4	Confident	62 Å²	62	90.2 Å²	90.2	33%	0.332	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-38.4	178.5	-170.4	32.9	0	0	0	111.9	W319 P320 T325 I326 N327	W319-N323 VanDerWaalsContact O-CB 3.29Å; W319-N323 WeakPolarHBondContact O-CB 3.47Å; W319-N323 PolarHBondContact O-N 3.33Å; P320-N323 PolarHBondContact O-N 2.91Å; N323-T325 VanDerWaalsContact C-N 3.32Å; N323-T325 PolarHBondContact O-N 2.84Å; N323-I326 PolarHBondContact O-N 3.03Å; N323-N327 WeakPolarHBondContact O-CB 3.1Å; N323-N327 VanDerWaalsContact O-CG 3.27Å; N323-N327 PolarHBondContact O-N 2.97Å; N323-N327 PolarHBondContact O-ND2 2.96Å; N323-N327 PolarHBondContact OD1-ND2 2.84Å
324	R	77.2	Confident	75.8	Confident	186 Å²	186	93.6 Å²	93.6	70%	0.702	48%	0.478	S	S	*	.	H	α-helix	trans	-60.6	-41.6	171.8	-74.3	173.8	-167.7	178.1	5.5	111.9	P320 P321 L322 N327 L328	P320-R324 WeakPolarHBondContact O-CB 3.49Å; P320-R324 VanDerWaalsContact O-CG 3.25Å; P320-R324 WeakPolarHBondContact O-CG 3.39Å; P320-R324 PolarHBondContact O-N 3.22Å; P321-R324 PolarHBondContact O-N 3.46Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 2.94Å; R324-N327 PolarHBondContact O-N 3.41Å; R324-L328 WeakPolarHBondContact O-CB 3.41Å; R324-L328 PolarHBondContact O-N 2.93Å
325	T	72.2	Confident	76.5	Confident	89 Å²	89	94.8 Å²	94.8	55%	0.546	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-43.4	178.9	-54.4	0	0	0	0	111.3	P321 L322 N323 L328 A329	P321-T325 PolarHBondContact O-N 3.33Å; P321-T325 PolarHBondContact O-OG1 2.89Å; L322-T325 WeakPolarHBondContact O-CA 3.4Å; L322-T325 WeakPolarHBondContact O-CB 3.41Å; L322-T325 PolarHBondContact O-N 3.35Å; N323-T325 VanDerWaalsContact C-N 3.32Å; N323-T325 PolarHBondContact O-N 2.84Å; T325-L328 PolarHBondContact O-N 3.33Å; T325-A329 WeakPolarHBondContact O-CB 3.32Å; T325-A329 PolarHBondContact O-N 3.44Å
326	I	74.7	Confident	76.9	Confident	52 Å²	52	97.9 Å²	97.9	27%	0.267	49%	0.49	S	S	.	.	H	α-helix	trans	-59.5	-49.1	174.5	-67.8	168.4	0	0	0	110.6	L322 N323 L328 A329 Q330	L322-I326 HydrophobicContact CD1-CD1 4.39Å; L322-I326 HydrophobicContact CG-CD1 4.09Å; L322-I326 WeakPolarHBondContact O-CG1 3.39Å; L322-I326 PolarHBondContact O-N 3.27Å; N323-I326 PolarHBondContact O-N 3.03Å; I326-L328 VanDerWaalsContact C-N 3.33Å; I326-L328 PolarHBondContact O-N 3.3Å; I326-A329 PolarHBondContact O-N 2.92Å; I326-Q330 WeakPolarHBondContact O-CG 3.33Å; I326-Q330 PolarHBondContact O-N 2.84Å
327	N	81.2	Confident	77.1	Confident	70 Å²	70	98.8 Å²	98.8	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-38	178.6	-72.2	-42.8	0	0	0	112.7	N323 R324 Q330 T331	N323-N327 WeakPolarHBondContact O-CB 3.1Å; N323-N327 VanDerWaalsContact O-CG 3.27Å; N323-N327 PolarHBondContact O-N 2.97Å; N323-N327 PolarHBondContact O-ND2 2.96Å; N323-N327 PolarHBondContact OD1-ND2 2.84Å; R324-N327 PolarHBondContact O-N 3.41Å; N327-Q330 PolarHBondContact O-N 2.92Å; N327-T331 PolarHBondContact O-N 3.17Å; N327-T331 PolarHBondContact O-OG1 2.86Å
328	L	78	Confident	77.9	Confident	106 Å²	106	97.4 Å²	97.4	56%	0.555	49%	0.485	S	S	*	.	H	α-helix	trans	-64.8	-46.1	175.2	179.2	61.8	0	0	0	111.2	R324 T325 I326 Q330 T331 I332	R324-L328 WeakPolarHBondContact O-CB 3.41Å; R324-L328 PolarHBondContact O-N 2.93Å; T325-L328 PolarHBondContact O-N 3.33Å; I326-L328 VanDerWaalsContact C-N 3.33Å; I326-L328 PolarHBondContact O-N 3.3Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3.4Å; L328-T331 WeakPolarHBondContact O-CB 3.38Å; L328-T331 PolarHBondContact O-N 2.87Å; L328-T331 VanDerWaalsContact O-N 3.1Å; L328-I332 HydrophobicContact CD1-CD1 4.33Å; L328-I332 HydrophobicContact CD1-CG1 4.4Å; L328-I332 HydrophobicContact CG-CD1 4.05Å; L328-I332 WeakPolarHBondContact O-CG1 3.2Å; L328-I332 PolarHBondContact O-N 3.3Å
329	A	70.7	Confident	78.5	Confident	56 Å²	56	100 Å²	100	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-42.4	177.2	0	0	0	0	0	111.7	T325 I326 T331 I332 R333	T325-A329 WeakPolarHBondContact O-CB 3.32Å; T325-A329 PolarHBondContact O-N 3.44Å; I326-A329 PolarHBondContact O-N 2.92Å; A329-T331 VanDerWaalsContact C-N 3.33Å; A329-T331 PolarHBondContact O-N 3.22Å; A329-I332 PolarHBondContact O-N 2.97Å; A329-R333 PolarHBondContact O-N 3.29Å
330	Q	80	Confident	78.7	Confident	119 Å²	119	98.5 Å²	98.5	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-61.2	-40.9	173.5	-71.5	176.6	-1.9	0	0	112.1	I326 N327 L328 R333 K334	I326-Q330 WeakPolarHBondContact O-CG 3.33Å; I326-Q330 PolarHBondContact O-N 2.84Å; N327-Q330 PolarHBondContact O-N 2.92Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3.4Å; Q330-R333 PolarHBondContact O-N 3.28Å; Q330-K334 PolarHBondContact O-N 3.41Å
331	T	78.7	Confident	78.9	Confident	80 Å²	80	99.5 Å²	99.5	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-43.9	177.7	-56.7	0	0	0	0	111.8	N327 L328 A329 R333 K334 V335	N327-T331 PolarHBondContact O-N 3.17Å; N327-T331 PolarHBondContact O-OG1 2.86Å; L328-T331 WeakPolarHBondContact O-CB 3.38Å; L328-T331 PolarHBondContact O-N 2.87Å; L328-T331 VanDerWaalsContact O-N 3.1Å; A329-T331 VanDerWaalsContact C-N 3.33Å; A329-T331 PolarHBondContact O-N 3.22Å; T331-R333 VanDerWaalsContact C-N 3.33Å; T331-R333 PolarHBondContact O-N 2.9Å; T331-K334 WeakPolarHBondContact O-CB 3.4Å; T331-K334 PolarHBondContact O-N 2.97Å; T331-V335 WeakPolarHBondContact O-CG2 3.42Å; T331-V335 PolarHBondContact O-N 3.15Å
332	I	74	Confident	79.3	Confident	86 Å²	86	98.8 Å²	98.8	44%	0.441	50%	0.495	S	S	.	.	H	α-helix	trans	-58.3	-47.2	175.6	-69.8	167.5	0	0	0	110.1	L328 A329 K334 V335 Q336	L328-I332 HydrophobicContact CD1-CD1 4.33Å; L328-I332 HydrophobicContact CD1-CG1 4.4Å; L328-I332 HydrophobicContact CG-CD1 4.05Å; L328-I332 WeakPolarHBondContact O-CG1 3.2Å; L328-I332 PolarHBondContact O-N 3.3Å; A329-I332 PolarHBondContact O-N 2.97Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.19Å; I332-V335 PolarHBondContact O-N 3.25Å; I332-Q336 HydrophobicContact CG2-CG 4.36Å; I332-Q336 WeakPolarHBondContact O-CG 3.22Å; I332-Q336 PolarHBondContact O-N 3.1Å
333	R	77.3	Confident	79.9	Confident	197 Å²	197	98 Å²	98	74%	0.743	49%	0.494	S	S	*	.	H	α-helix	trans	-59.8	-40.4	178	-169.5	178.1	-171.9	156	2.7	112.1	A329 Q330 T331 Q336 M337	A329-R333 PolarHBondContact O-N 3.29Å; Q330-R333 PolarHBondContact O-N 3.28Å; T331-R333 VanDerWaalsContact C-N 3.33Å; T331-R333 PolarHBondContact O-N 2.9Å; R333-Q336 PolarHBondContact O-N 2.86Å; R333-M337 PolarHBondContact O-N 2.95Å; R333-M337 VanDerWaalsContact O-N 3.07Å
334	K	86.1	Confident	80	Confident	129 Å²	129	98 Å²	98	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-62.7	-48.8	174.6	-176.8	-179.8	176.7	-179.1	0	111.6	Q330 T331 I332 Q336 M337 D338	Q330-K334 PolarHBondContact O-N 3.41Å; T331-K334 WeakPolarHBondContact O-CB 3.4Å; T331-K334 PolarHBondContact O-N 2.97Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.19Å; K334-Q336 VanDerWaalsContact C-N 3.3Å; K334-Q336 PolarHBondContact O-N 3.12Å; K334-M337 WeakPolarHBondContact O-CB 3.39Å; K334-M337 PolarHBondContact O-N 3.11Å; K334-M337 VanDerWaalsContact O-N 3.14Å; K334-D338 PolarHBondContact O-N 3.26Å
335	V	80.6	Confident	80.3	Confident	91 Å²	91	95.5 Å²	95.5	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-60.6	-40.2	178.1	171.6	0	0	0	0	111.4	T331 I332 M337 D338 H339	T331-V335 WeakPolarHBondContact O-CG2 3.42Å; T331-V335 PolarHBondContact O-N 3.15Å; I332-V335 PolarHBondContact O-N 3.25Å; V335-M337 VanDerWaalsContact C-N 3.34Å; V335-M337 PolarHBondContact O-N 3.3Å; V335-D338 PolarHBondContact O-N 2.7Å; V335-H339 VanDerWaalsContact O-CB 3.28Å; V335-H339 WeakPolarHBondContact O-CB 3.27Å; V335-H339 PolarHBondContact O-N 2.97Å
336	Q	82.7	Confident	80.7	Confident	124 Å²	124	94.3 Å²	94.3	58%	0.579	48%	0.484	S	S	*	.	H	α-helix	trans	-61.1	-42.7	175.1	-74.5	173.8	-27.8	0	0	111.9	I332 R333 K334 F340	I332-Q336 HydrophobicContact CG2-CG 4.36Å; I332-Q336 WeakPolarHBondContact O-CG 3.22Å; I332-Q336 PolarHBondContact O-N 3.1Å; R333-Q336 PolarHBondContact O-N 2.86Å; K334-Q336 VanDerWaalsContact C-N 3.3Å; K334-Q336 PolarHBondContact O-N 3.12Å; Q336-F340 WeakPolarHBondContact O-CB 3.43Å; Q336-F340 PolarHBondContact O-N 3.38Å
337	M	81.8	Confident	81	Confident	106 Å²	106	99.5 Å²	99.5	52%	0.522	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-44.4	176.8	-169.6	66.8	-172.4	0	0	111.9	R333 K334 V335 H339 F340 N341	R333-M337 PolarHBondContact O-N 2.95Å; R333-M337 VanDerWaalsContact O-N 3.07Å; K334-M337 WeakPolarHBondContact O-CB 3.39Å; K334-M337 PolarHBondContact O-N 3.11Å; K334-M337 VanDerWaalsContact O-N 3.14Å; V335-M337 VanDerWaalsContact C-N 3.34Å; V335-M337 PolarHBondContact O-N 3.3Å; M337-H339 VanDerWaalsContact C-N 3.33Å; M337-H339 PolarHBondContact O-N 3.24Å; M337-F340 WeakPolarHBondContact O-CB 3.38Å; M337-F340 PolarHBondContact O-N 3.35Å; M337-N341 PolarHBondContact O-N 3.48Å; M337-N341 PolarHBondContact O-ND2 2.96Å
338	D	89.1	Confident	81.2	Confident	84 Å²	84	101.7 Å²	101.7	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-41.1	177.3	-68.5	-20.3	0	0	0	111	K334 V335 N341 A342	K334-D338 PolarHBondContact O-N 3.26Å; V335-D338 PolarHBondContact O-N 2.7Å; D338-N341 PolarHBondContact O-N 3.07Å; D338-A342 WeakPolarHBondContact O-CB 3.33Å; D338-A342 PolarHBondContact O-N 3.39Å
339	H	81.4	Confident	81.4	Confident	128 Å²	128	104.4 Å²	104.4	59%	0.593	51%	0.511	S	S	*	.	H	α-helix	trans	-62	-46	174.1	-177.7	72.6	0	0	0	111.6	V335 M337 N341 A342 V343	V335-H339 VanDerWaalsContact O-CB 3.28Å; V335-H339 WeakPolarHBondContact O-CB 3.27Å; V335-H339 PolarHBondContact O-N 2.97Å; M337-H339 VanDerWaalsContact C-N 3.33Å; M337-H339 PolarHBondContact O-N 3.24Å; H339-N341 VanDerWaalsContact C-N 3.34Å; H339-N341 PolarHBondContact O-N 3.19Å; H339-A342 PolarHBondContact O-N 3.38Å; H339-V343 VanDerWaalsContact O-CG2 3.28Å; H339-V343 WeakPolarHBondContact O-CG2 3.03Å; H339-V343 PolarHBondContact O-N 3.07Å
340	F	83.2	Confident	81.5	Confident	111 Å²	111	105.4 Å²	105.4	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-58.1	-46.7	175.6	177.1	-96.8	0	0	0	111.5	Q336 M337 V343 Q344	Q336-F340 WeakPolarHBondContact O-CB 3.43Å; Q336-F340 PolarHBondContact O-N 3.38Å; M337-F340 WeakPolarHBondContact O-CB 3.38Å; M337-F340 PolarHBondContact O-N 3.35Å; F340-V343 PolarHBondContact O-N 2.97Å; F340-Q344 HydrophobicContact CD1-CG 4.33Å; F340-Q344 HydrophobicContact CE1-CG 3.91Å; F340-Q344 HydrophobicContact CZ-CG 4.02Å; F340-Q344 WeakPolarHBondContact O-CG 3.4Å; F340-Q344 PolarHBondContact O-N 2.83Å
341	N	86.8	Confident	81.5	Confident	62 Å²	62	103.5 Å²	103.5	33%	0.332	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-46.4	177.9	-68	-23.9	0	0	0	111.8	M337 D338 H339 V343 Q344 E345	M337-N341 PolarHBondContact O-N 3.48Å; M337-N341 PolarHBondContact O-ND2 2.96Å; D338-N341 PolarHBondContact O-N 3.07Å; H339-N341 VanDerWaalsContact C-N 3.34Å; H339-N341 PolarHBondContact O-N 3.19Å; N341-V343 VanDerWaalsContact C-N 3.3Å; N341-V343 PolarHBondContact O-N 3.02Å; N341-Q344 PolarHBondContact O-N 3.31Å; N341-Q344 VanDerWaalsContact O-N 3.11Å; N341-E345 PolarHBondContact O-N 3.48Å
342	A	81.1	Confident	81.6	Confident	49 Å²	49	108.1 Å²	108.1	41%	0.405	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-38.1	177.3	0	0	0	0	0	112.4	D338 H339 E345 S346	D338-A342 WeakPolarHBondContact O-CB 3.33Å; D338-A342 PolarHBondContact O-N 3.39Å; H339-A342 PolarHBondContact O-N 3.38Å; A342-E345 PolarHBondContact O-N 2.98Å; A342-S346 WeakPolarHBondContact O-CB 3.35Å; A342-S346 PolarHBondContact O-N 3.13Å
343	V	79.9	Confident	81.5	Confident	70 Å²	70	108.8 Å²	108.8	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-41.4	174.1	169.3	0	0	0	0	111	H339 F340 N341 S346 R347	H339-V343 VanDerWaalsContact O-CG2 3.28Å; H339-V343 WeakPolarHBondContact O-CG2 3.03Å; H339-V343 PolarHBondContact O-N 3.07Å; F340-V343 PolarHBondContact O-N 2.97Å; N341-V343 VanDerWaalsContact C-N 3.3Å; N341-V343 PolarHBondContact O-N 3.02Å; V343-S346 PolarHBondContact O-N 3.05Å; V343-R347 WeakPolarHBondContact O-CB 3.31Å; V343-R347 PolarHBondContact O-N 3.43Å
344	Q	83.3	Confident	81.4	Confident	63 Å²	63	104.9 Å²	104.9	29%	0.294	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-41.9	175.5	-64	-49.3	-48.4	0	0	112.2	F340 N341 R347 Q348	F340-Q344 HydrophobicContact CD1-CG 4.33Å; F340-Q344 HydrophobicContact CE1-CG 3.91Å; F340-Q344 HydrophobicContact CZ-CG 4.02Å; F340-Q344 WeakPolarHBondContact O-CG 3.4Å; F340-Q344 PolarHBondContact O-N 2.83Å; N341-Q344 PolarHBondContact O-N 3.31Å; N341-Q344 VanDerWaalsContact O-N 3.11Å; Q344-R347 WeakPolarHBondContact O-CB 3.43Å; Q344-R347 PolarHBondContact O-N 3Å; Q344-Q348 WeakPolarHBondContact O-CG 3.48Å; Q344-Q348 PolarHBondContact O-N 3.22Å
345	E	82.6	Confident	81.1	Confident	134 Å²	134	101.8 Å²	101.8	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-46.1	176	-73	178.5	-174.4	0	0	112	N341 A342 R347 Q348 W349	N341-E345 PolarHBondContact O-N 3.48Å; A342-E345 PolarHBondContact O-N 2.98Å; E345-R347 VanDerWaalsContact C-N 3.3Å; E345-R347 PolarHBondContact O-N 3.05Å; E345-Q348 PolarHBondContact O-N 2.79Å; E345-W349 WeakPolarHBondContact O-CB 3.38Å; E345-W349 PolarHBondContact O-N 3.03Å
346	S	81.9	Confident	81.1	Confident	64 Å²	64	100 Å²	100	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-58.5	-43	175.2	-177.9	0	0	0	0	111.5	A342 V343 Q348 W349 N350	A342-S346 WeakPolarHBondContact O-CB 3.35Å; A342-S346 PolarHBondContact O-N 3.13Å; V343-S346 PolarHBondContact O-N 3.05Å; S346-Q348 PolarHBondContact O-N 3.27Å; S346-W349 PolarHBondContact O-N 3.13Å; S346-N350 PolarHBondContact O-N 3.4Å
347	R	81.5	Confident	80.8	Confident	161 Å²	161	98.5 Å²	98.5	61%	0.608	48%	0.477	S	S	*	.	H	α-helix	trans	-61.3	-44.4	175	-173.4	178.3	-175.6	174.4	2.8	112.1	V343 Q344 E345 W349 N350 N351	V343-R347 WeakPolarHBondContact O-CB 3.31Å; V343-R347 PolarHBondContact O-N 3.43Å; Q344-R347 WeakPolarHBondContact O-CB 3.43Å; Q344-R347 PolarHBondContact O-N 3Å; E345-R347 VanDerWaalsContact C-N 3.3Å; E345-R347 PolarHBondContact O-N 3.05Å; R347-W349 VanDerWaalsContact C-N 3.31Å; R347-W349 PolarHBondContact O-N 2.91Å; R347-N350 PolarHBondContact O-N 3.48Å; R347-N351 VanDerWaalsContact O-CG 3.25Å; R347-N351 PolarHBondContact O-N 3.28Å; R347-N351 PolarHBondContact O-OD1 3.37Å
348	Q	84.1	Confident	80.6	Confident	116 Å²	116	99 Å²	99	54%	0.542	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-39.1	176.2	-71	-179.1	17.9	0	0	111.9	Q344 E345 S346 N351 R352	Q344-Q348 WeakPolarHBondContact O-CG 3.48Å; Q344-Q348 PolarHBondContact O-N 3.22Å; E345-Q348 PolarHBondContact O-N 2.79Å; S346-Q348 PolarHBondContact O-N 3.27Å; Q348-N351 PolarHBondContact O-N 3.01Å; Q348-R352 WeakPolarHBondContact O-CG 3.27Å; Q348-R352 PolarHBondContact O-N 3.3Å
349	W	81.7	Confident	80.1	Confident	163 Å²	163	103 Å²	103	62%	0.617	49%	0.491	S	S	*	.	H	α-helix	trans	-65.4	-44.7	176.8	-167.5	91	0	0	0	111.6	E345 S346 R347 N351 R352 F353	E345-W349 WeakPolarHBondContact O-CB 3.38Å; E345-W349 PolarHBondContact O-N 3.03Å; S346-W349 PolarHBondContact O-N 3.13Å; R347-W349 VanDerWaalsContact C-N 3.31Å; R347-W349 PolarHBondContact O-N 2.91Å; W349-N351 PolarHBondContact O-N 3.2Å; W349-R352 WeakPolarHBondContact O-CB 3.48Å; W349-R352 PolarHBondContact O-N 3.17Å; W349-R352 VanDerWaalsContact O-N 3.17Å; W349-F353 HydrophobicContact CE3-CB 4.37Å; W349-F353 HydrophobicContact CH2-CD2 4.26Å; W349-F353 HydrophobicContact CZ3-CB 4.22Å; W349-F353 HydrophobicContact CZ3-CG 4.33Å; W349-F353 WeakPolarHBondContact O-CB 3.49Å; W349-F353 PolarHBondContact O-N 3.06Å
350	N	73.8	Confident	80	Confident	76 Å²	76	104.5 Å²	104.5	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-58.8	-46.5	174.8	-79	-7.2	0	0	0	111.8	S346 R347 R352 F353 E354	S346-N350 PolarHBondContact O-N 3.4Å; R347-N350 PolarHBondContact O-N 3.48Å; N350-R352 VanDerWaalsContact C-N 3.31Å; N350-R352 PolarHBondContact O-N 2.87Å; N350-F353 WeakPolarHBondContact O-CB 3.13Å; N350-F353 PolarHBondContact O-N 3.31Å; N350-F353 VanDerWaalsContact O-N 3.13Å; N350-E354 WeakPolarHBondContact O-CG 3.21Å; N350-E354 PolarHBondContact O-N 2.86Å
351	N	80.5	Confident	79.7	Confident	80 Å²	80	100.6 Å²	100.6	43%	0.428	48%	0.484	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176	-67.9	-8.3	0	0	0	111.3	R347 Q348 W349 F353 E354 T355	R347-N351 VanDerWaalsContact O-CG 3.25Å; R347-N351 PolarHBondContact O-N 3.28Å; R347-N351 PolarHBondContact O-OD1 3.37Å; Q348-N351 PolarHBondContact O-N 3.01Å; W349-N351 PolarHBondContact O-N 3.2Å; N351-F353 VanDerWaalsContact C-N 3.34Å; N351-F353 PolarHBondContact O-N 3.01Å; N351-E354 PolarHBondContact O-N 2.9Å; N351-T355 WeakPolarHBondContact O-CG2 3.19Å; N351-T355 PolarHBondContact O-N 3.35Å
352	R	79.3	Confident	79.5	Confident	176 Å²	176	102.6 Å²	102.6	66%	0.664	49%	0.494	S	S	*	.	H	α-helix	trans	-63	-41.4	176.1	-74.3	176.4	-177.2	-112.7	2.8	111.7	Q348 W349 N350 T355 T356	Q348-R352 WeakPolarHBondContact O-CG 3.27Å; Q348-R352 PolarHBondContact O-N 3.3Å; W349-R352 WeakPolarHBondContact O-CB 3.48Å; W349-R352 PolarHBondContact O-N 3.17Å; W349-R352 VanDerWaalsContact O-N 3.17Å; N350-R352 VanDerWaalsContact C-N 3.31Å; N350-R352 PolarHBondContact O-N 2.87Å; R352-T355 PolarHBondContact O-N 3.08Å; R352-T355 PolarHBondContact O-OG1 3.45Å; R352-T356 WeakPolarHBondContact O-CB 3.48Å; R352-T356 PolarHBondContact O-N 3.15Å; R352-T356 PolarHBondContact O-OG1 3.44Å
353	F	72.5	Confident	79.7	Confident	101 Å²	101	106.7 Å²	106.7	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-46.6	176.9	-178.2	-106.1	0	0	0	111.2	W349 N350 N351 T355 T356 L357	W349-F353 HydrophobicContact CE3-CB 4.37Å; W349-F353 HydrophobicContact CH2-CD2 4.26Å; W349-F353 HydrophobicContact CZ3-CB 4.22Å; W349-F353 HydrophobicContact CZ3-CG 4.33Å; W349-F353 WeakPolarHBondContact O-CB 3.49Å; W349-F353 PolarHBondContact O-N 3.06Å; N350-F353 WeakPolarHBondContact O-CB 3.13Å; N350-F353 PolarHBondContact O-N 3.31Å; N350-F353 VanDerWaalsContact O-N 3.13Å; N351-F353 VanDerWaalsContact C-N 3.34Å; N351-F353 PolarHBondContact O-N 3.01Å; F353-T355 PolarHBondContact O-N 3.35Å; F353-T356 CarbonylContact O-C 3.53Å; F353-T356 WeakPolarHBondContact O-CA 3.43Å; F353-T356 WeakPolarHBondContact O-CB 3.39Å; F353-T356 PolarHBondContact O-N 3.15Å; F353-L357 HydrophobicContact CD1-CD1 3.78Å; F353-L357 HydrophobicContact CD1-CG 4.23Å; F353-L357 HydrophobicContact CE1-CD1 3.28Å; F353-L357 HydrophobicContact CE1-CD2 4.43Å; F353-L357 HydrophobicContact CE1-CG 3.85Å; F353-L357 HydrophobicContact CE2-CG 4.4Å; F353-L357 HydrophobicContact CZ-CD1 3.78Å; F353-L357 HydrophobicContact CZ-CD2 4.09Å; F353-L357 HydrophobicContact CZ-CG 3.93Å; F353-L357 PolarHBondContact O-N 3.29Å
354	E	76.1	Confident	79.6	Confident	114 Å²	114	108.2 Å²	108.2	53%	0.533	51%	0.508	S	S	.	.	H	α-helix	trans	-57.1	-48.7	174.2	-75.3	178.2	177.8	0	0	112.1	N350 N351 T356 L357 L358	N350-E354 WeakPolarHBondContact O-CG 3.21Å; N350-E354 PolarHBondContact O-N 2.86Å; N351-E354 PolarHBondContact O-N 2.9Å; E354-T356 PolarHBondContact O-N 2.68Å; E354-L357 PolarHBondContact O-N 2.9Å; E354-L358 WeakPolarHBondContact O-CG 3.38Å; E354-L358 PolarHBondContact O-N 3.27Å
355	T	80.2	Confident	79.3	Confident	65 Å²	65	109.8 Å²	109.8	40%	0.399	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-25.9	176.9	66.8	0	0	0	0	113.4	N351 R352 F353 R359	N351-T355 WeakPolarHBondContact O-CG2 3.19Å; N351-T355 PolarHBondContact O-N 3.35Å; R352-T355 PolarHBondContact O-N 3.08Å; R352-T355 PolarHBondContact O-OG1 3.45Å; F353-T355 PolarHBondContact O-N 3.35Å; T355-R359 WeakPolarHBondContact O-CG 3.34Å; T355-R359 PolarHBondContact O-N 2.99Å; T355-R359 PolarHBondContact O-NE 3.44Å
356	T	80.5	Confident	79.2	Confident	52 Å²	52	110 Å²	110	32%	0.319	51%	0.514	S	S	.	.	H	α-helix	trans	-78.9	-42.8	177.3	-58.5	0	0	0	0	110.3	R352 F353 E354 R359 Y360	R352-T356 WeakPolarHBondContact O-CB 3.48Å; R352-T356 PolarHBondContact O-N 3.15Å; R352-T356 PolarHBondContact O-OG1 3.44Å; F353-T356 CarbonylContact O-C 3.53Å; F353-T356 WeakPolarHBondContact O-CA 3.43Å; F353-T356 WeakPolarHBondContact O-CB 3.39Å; F353-T356 PolarHBondContact O-N 3.15Å; E354-T356 PolarHBondContact O-N 2.68Å; T356-R359 PolarHBondContact O-N 2.89Å; T356-Y360 HydrophobicContact CG2-CD2 3.72Å; T356-Y360 HydrophobicContact CG2-CE2 3.49Å; T356-Y360 VanDerWaalsContact CG2-CE2 3.49Å; T356-Y360 WeakPolarHBondContact O-CD2 3.3Å; T356-Y360 PolarHBondContact O-N 2.85Å
357	L	74.6	Confident	78.9	Confident	93 Å²	93	111.4 Å²	111.4	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-58.9	-45.3	172.6	-79	179.7	0	0	0	111.8	F353 E354 R359 Y360 G361	F353-L357 HydrophobicContact CD1-CD1 3.78Å; F353-L357 HydrophobicContact CD1-CG 4.23Å; F353-L357 HydrophobicContact CE1-CD1 3.28Å; F353-L357 HydrophobicContact CE1-CD2 4.43Å; F353-L357 HydrophobicContact CE1-CG 3.85Å; F353-L357 HydrophobicContact CE2-CG 4.4Å; F353-L357 HydrophobicContact CZ-CD1 3.78Å; F353-L357 HydrophobicContact CZ-CD2 4.09Å; F353-L357 HydrophobicContact CZ-CG 3.93Å; F353-L357 PolarHBondContact O-N 3.29Å; E354-L357 PolarHBondContact O-N 2.9Å; L357-R359 VanDerWaalsContact C-N 3.34Å; L357-R359 PolarHBondContact O-N 3.41Å; L357-Y360 PolarHBondContact O-N 3.42Å; L357-G361 PolarHBondContact O-N 3.24Å
358	L	78	Confident	78.6	Confident	117 Å²	117	107.4 Å²	107.4	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-57.9	-47.3	175.9	-72.2	171.3	0	0	0	111.1	E354 Y360 G361 D362	E354-L358 WeakPolarHBondContact O-CG 3.38Å; E354-L358 PolarHBondContact O-N 3.27Å; L358-Y360 PolarHBondContact O-N 3.09Å; L358-G361 PolarHBondContact O-N 3.14Å; L358-D362 VanDerWaalsContact O-CG 3.32Å; L358-D362 PolarHBondContact O-N 3.45Å
359	R	79.8	Confident	78.2	Confident	168 Å²	168	107 Å²	107	63%	0.634	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-40.1	176.5	-82	-175.9	-84.5	-175.3	-7.9	113.5	T355 T356 L357 K363	T355-R359 WeakPolarHBondContact O-CG 3.34Å; T355-R359 PolarHBondContact O-N 2.99Å; T355-R359 PolarHBondContact O-NE 3.44Å; T356-R359 PolarHBondContact O-N 2.89Å; L357-R359 VanDerWaalsContact C-N 3.34Å; L357-R359 PolarHBondContact O-N 3.41Å; R359-K363 WeakPolarHBondContact O-CB 3.05Å; R359-K363 PolarHBondContact O-N 3.47Å
360	Y	78.6	Confident	78.2	Confident	159 Å²	159	103.6 Å²	103.6	62%	0.624	50%	0.499	S	S	*	.	H	α-helix	trans	-68.7	-39.2	174.7	-81	-63.7	0	0	0	112	T356 L357 L358 K363 L364	T356-Y360 HydrophobicContact CG2-CD2 3.72Å; T356-Y360 HydrophobicContact CG2-CE2 3.49Å; T356-Y360 VanDerWaalsContact CG2-CE2 3.49Å; T356-Y360 WeakPolarHBondContact O-CD2 3.3Å; T356-Y360 PolarHBondContact O-N 2.85Å; L357-Y360 PolarHBondContact O-N 3.42Å; L358-Y360 PolarHBondContact O-N 3.09Å; Y360-K363 PolarHBondContact O-N 3.35Å; Y360-L364 WeakPolarHBondContact O-CB 3.46Å; Y360-L364 PolarHBondContact O-N 3.18Å
361	G	76.3	Confident	78.5	Confident	30 Å²	30	106.9 Å²	106.9	31%	0.309	51%	0.51	S	S	.	.	H	α-helix	trans	-59.1	-47.7	173.7	0	0	0	0	0	111.8	L357 L358 K363 L364 N365	L357-G361 PolarHBondContact O-N 3.24Å; L358-G361 PolarHBondContact O-N 3.14Å; G361-K363 VanDerWaalsContact C-N 3.35Å; G361-K363 PolarHBondContact O-N 2.86Å; G361-L364 PolarHBondContact O-N 3.48Å; G361-N365 WeakPolarHBondContact O-CB 3.22Å; G361-N365 PolarHBondContact O-N 3.42Å
362	D	84	Confident	78.2	Confident	104 Å²	104	108 Å²	108	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-61.2	-43.2	175.6	-69.6	-23.5	0	0	0	111.7	L358 N365 Y366	L358-D362 VanDerWaalsContact O-CG 3.32Å; L358-D362 PolarHBondContact O-N 3.45Å; D362-N365 PolarHBondContact O-N 3.36Å; D362-Y366 WeakPolarHBondContact O-CB 3.2Å; D362-Y366 PolarHBondContact O-N 3.34Å
363	K	84.3	Confident	78.1	Confident	134 Å²	134	104.3 Å²	104.3	58%	0.583	51%	0.509	S	S	*	.	H	α-helix	trans	-65.3	-39.8	177.8	-170.1	167.7	-176.6	177	0	112	R359 Y360 G361 Y366 L367	R359-K363 WeakPolarHBondContact O-CB 3.05Å; R359-K363 PolarHBondContact O-N 3.47Å; Y360-K363 PolarHBondContact O-N 3.35Å; G361-K363 VanDerWaalsContact C-N 3.35Å; G361-K363 PolarHBondContact O-N 2.86Å; K363-Y366 PolarHBondContact O-N 3.18Å; K363-L367 HydrophobicContact CG-CD1 4.41Å; K363-L367 VanDerWaalsContact O-CG 3.31Å; K363-L367 WeakPolarHBondContact O-CG 3.24Å; K363-L367 PolarHBondContact O-N 3.16Å
364	L	78.3	Confident	78.5	Confident	102 Å²	102	107.1 Å²	107.1	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-44.8	175.8	-169.2	75.1	0	0	0	110.8	Y360 G361 Y366 L367 N368	Y360-L364 WeakPolarHBondContact O-CB 3.46Å; Y360-L364 PolarHBondContact O-N 3.18Å; G361-L364 PolarHBondContact O-N 3.48Å; L364-Y366 VanDerWaalsContact C-N 3.34Å; L364-Y366 PolarHBondContact O-N 3.02Å; L364-L367 PolarHBondContact O-N 2.94Å; L364-N368 WeakPolarHBondContact O-CB 3.24Å; L364-N368 PolarHBondContact O-N 3.05Å
365	N	76.1	Confident	78.7	Confident	96 Å²	96	103.8 Å²	103.8	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-59.1	-45	174.3	-85	-18.6	0	0	0	111.4	G361 D362 L367 N368 L369	G361-N365 WeakPolarHBondContact O-CB 3.22Å; G361-N365 PolarHBondContact O-N 3.42Å; D362-N365 PolarHBondContact O-N 3.36Å; N365-L367 PolarHBondContact O-N 2.86Å; N365-N368 PolarHBondContact O-N 3Å; N365-L369 WeakPolarHBondContact O-CB 3.46Å; N365-L369 VanDerWaalsContact O-CG 3.23Å; N365-L369 WeakPolarHBondContact O-CG 3.41Å; N365-L369 PolarHBondContact O-N 2.94Å
366	Y	80.6	Confident	78.7	Confident	139 Å²	139	104.7 Å²	104.7	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-58.6	-47.9	174.9	174.6	-95.5	0	0	0	112	D362 K363 L364 L369 Q370	D362-Y366 WeakPolarHBondContact O-CB 3.2Å; D362-Y366 PolarHBondContact O-N 3.34Å; K363-Y366 PolarHBondContact O-N 3.18Å; L364-Y366 VanDerWaalsContact C-N 3.34Å; L364-Y366 PolarHBondContact O-N 3.02Å; Y366-L369 PolarHBondContact O-N 2.92Å; Y366-Q370 HydrophobicContact CD1-CG 4.25Å; Y366-Q370 HydrophobicContact CE1-CG 3.85Å; Y366-Q370 HydrophobicContact CE2-CG 4.31Å; Y366-Q370 VanDerWaalsContact O-CG 3.28Å; Y366-Q370 WeakPolarHBondContact O-CG 3.42Å; Y366-Q370 PolarHBondContact O-N 3.38Å; Y366-Q370 PolarHBondContact OH-NE2 2.68Å
367	L	76.9	Confident	78.6	Confident	93 Å²	93	108.3 Å²	108.3	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-41.3	178.3	-73	169.3	0	0	0	112.3	K363 L364 N365 Q370 F371	K363-L367 HydrophobicContact CG-CD1 4.41Å; K363-L367 VanDerWaalsContact O-CG 3.31Å; K363-L367 WeakPolarHBondContact O-CG 3.24Å; K363-L367 PolarHBondContact O-N 3.16Å; L364-L367 PolarHBondContact O-N 2.94Å; N365-L367 PolarHBondContact O-N 2.86Å; L367-Q370 WeakPolarHBondContact O-CB 3.32Å; L367-Q370 PolarHBondContact O-N 3.48Å; L367-F371 WeakPolarHBondContact O-CB 3.31Å; L367-F371 PolarHBondContact O-N 3.33Å
368	N	75.1	Confident	78.7	Confident	78 Å²	78	107.1 Å²	107.1	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.6	-81.7	-14.3	0	0	0	111.2	L364 N365 Q370 F371 L372	L364-N368 WeakPolarHBondContact O-CB 3.24Å; L364-N368 PolarHBondContact O-N 3.05Å; N365-N368 PolarHBondContact O-N 3Å; N368-Q370 VanDerWaalsContact C-N 3.34Å; N368-Q370 PolarHBondContact O-N 2.99Å; N368-F371 PolarHBondContact O-N 2.95Å; N368-L372 WeakPolarHBondContact O-CB 3.29Å; N368-L372 WeakPolarHBondContact O-CG 3.35Å; N368-L372 PolarHBondContact O-N 3.44Å
369	L	75.9	Confident	78.5	Confident	106 Å²	106	104 Å²	104	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-39.8	175.3	-74.2	170.4	0	0	0	111.7	N365 Y366 N373	N365-L369 WeakPolarHBondContact O-CB 3.46Å; N365-L369 VanDerWaalsContact O-CG 3.23Å; N365-L369 WeakPolarHBondContact O-CG 3.41Å; N365-L369 PolarHBondContact O-N 2.94Å; Y366-L369 PolarHBondContact O-N 2.92Å; L369-N373 VanDerWaalsContact O-CB 3.28Å; L369-N373 WeakPolarHBondContact O-CB 3.27Å; L369-N373 PolarHBondContact O-N 3.2Å
370	Q	81.9	Confident	78.5	Confident	92 Å²	92	102.4 Å²	102.4	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-47.2	174.2	-73.6	-69.3	-11.9	0	0	111.7	Y366 L367 N368 N373 K374	Y366-Q370 HydrophobicContact CD1-CG 4.25Å; Y366-Q370 HydrophobicContact CE1-CG 3.85Å; Y366-Q370 HydrophobicContact CE2-CG 4.31Å; Y366-Q370 VanDerWaalsContact O-CG 3.28Å; Y366-Q370 WeakPolarHBondContact O-CG 3.42Å; Y366-Q370 PolarHBondContact O-N 3.38Å; Y366-Q370 PolarHBondContact OH-NE2 2.68Å; L367-Q370 WeakPolarHBondContact O-CB 3.32Å; L367-Q370 PolarHBondContact O-N 3.48Å; N368-Q370 VanDerWaalsContact C-N 3.34Å; N368-Q370 PolarHBondContact O-N 2.99Å; Q370-N373 PolarHBondContact O-N 3.35Å; Q370-K374 WeakPolarHBondContact O-CB 3.21Å; Q370-K374 PolarHBondContact O-N 2.99Å
371	F	79.4	Confident	78.5	Confident	145 Å²	145	100.1 Å²	100.1	64%	0.636	50%	0.504	S	S	*	.	H	α-helix	trans	-63.1	-45.1	177.3	-178.1	-93.1	0	0	0	111.7	L367 N368 K374 S375	L367-F371 WeakPolarHBondContact O-CB 3.31Å; L367-F371 PolarHBondContact O-N 3.33Å; N368-F371 PolarHBondContact O-N 2.95Å; F371-K374 PolarHBondContact O-N 3.35Å; F371-S375 WeakPolarHBondContact CE1-OG 3.41Å; F371-S375 VanDerWaalsContact O-CB 3.3Å; F371-S375 WeakPolarHBondContact O-CB 3.29Å; F371-S375 PolarHBondContact O-N 3.14Å; F371-S375 PolarHBondContact O-OG 2.89Å
372	L	74.6	Confident	78.5	Confident	104 Å²	104	104.5 Å²	104.5	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-44.7	175.7	-77.8	166.2	0	0	0	111.2	N368 K374 S375 L376	N368-L372 WeakPolarHBondContact O-CB 3.29Å; N368-L372 WeakPolarHBondContact O-CG 3.35Å; N368-L372 PolarHBondContact O-N 3.44Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.36Å; L372-S375 PolarHBondContact O-N 3.42Å; L372-L376 WeakPolarHBondContact O-CA 3.4Å; L372-L376 WeakPolarHBondContact O-CB 3.29Å; L372-L376 PolarHBondContact O-N 2.9Å
373	N	76.4	Confident	78.3	Confident	99 Å²	99	104 Å²	104	53%	0.529	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-41	176.7	-87.7	-15.9	0	0	0	111.9	L369 Q370 F377	L369-N373 VanDerWaalsContact O-CB 3.28Å; L369-N373 WeakPolarHBondContact O-CB 3.27Å; L369-N373 PolarHBondContact O-N 3.2Å; Q370-N373 PolarHBondContact O-N 3.35Å; N373-F377 WeakPolarHBondContact O-CB 3.38Å; N373-F377 PolarHBondContact O-N 2.84Å
374	K	81.4	Confident	77.7	Confident	159 Å²	159	107 Å²	107	69%	0.691	52%	0.52	S	S	*	.	H	α-helix	trans	-66.9	-43.8	176.3	-172.6	161.4	-176.8	172.5	0	111.9	Q370 F371 L372 F377 T378	Q370-K374 WeakPolarHBondContact O-CB 3.21Å; Q370-K374 PolarHBondContact O-N 2.99Å; F371-K374 PolarHBondContact O-N 3.35Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.36Å; K374-F377 PolarHBondContact O-N 3.08Å; K374-T378 PolarHBondContact O-N 3.32Å; K374-T378 PolarHBondContact O-OG1 3.34Å
375	S	79.8	Confident	77.5	Confident	45 Å²	45	106.9 Å²	106.9	32%	0.315	52%	0.52	S	S	.	.	H	α-helix	trans	-66.5	-40.6	177.3	-55.1	0	0	0	0	111.3	F371 L372 T378 A379	F371-S375 WeakPolarHBondContact CE1-OG 3.41Å; F371-S375 VanDerWaalsContact O-CB 3.3Å; F371-S375 WeakPolarHBondContact O-CB 3.29Å; F371-S375 PolarHBondContact O-N 3.14Å; F371-S375 PolarHBondContact O-OG 2.89Å; L372-S375 PolarHBondContact O-N 3.42Å; S375-T378 PolarHBondContact O-N 2.88Å; S375-A379 VanDerWaalsContact O-CB 3.27Å; S375-A379 WeakPolarHBondContact O-CB 3.36Å; S375-A379 PolarHBondContact O-N 3.47Å
376	L	80.3	Confident	77.2	Confident	84 Å²	84	106.8 Å²	106.8	44%	0.44	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-41.5	175.2	178.8	67.4	0	0	0	111	L372 A379 K380	L372-L376 WeakPolarHBondContact O-CA 3.4Å; L372-L376 WeakPolarHBondContact O-CB 3.29Å; L372-L376 PolarHBondContact O-N 2.9Å; L376-A379 PolarHBondContact O-N 3.37Å; L376-K380 HydrophobicContact CD1-CG 4.37Å; L376-K380 HydrophobicContact CG-CD 4.21Å; L376-K380 HydrophobicContact CG-CG 4.46Å; L376-K380 VanDerWaalsContact O-CB 3.26Å; L376-K380 WeakPolarHBondContact O-CB 3.39Å; L376-K380 VanDerWaalsContact O-CG 3.22Å; L376-K380 WeakPolarHBondContact O-CG 3.42Å; L376-K380 PolarHBondContact O-N 3.27Å
377	F	78.4	Confident	76.8	Confident	127 Å²	127	104.4 Å²	104.4	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-59.5	-48.8	173.9	-179	-90.6	0	0	0	110.7	N373 K374 A379 K380 E381	N373-F377 WeakPolarHBondContact O-CB 3.38Å; N373-F377 PolarHBondContact O-N 2.84Å; K374-F377 PolarHBondContact O-N 3.08Å; F377-A379 PolarHBondContact O-N 2.86Å; F377-K380 WeakPolarHBondContact O-CB 3.33Å; F377-K380 PolarHBondContact O-N 2.96Å; F377-E381 HydrophobicContact CE1-CG 4.29Å; F377-E381 PolarHBondContact O-N 3.03Å
378	T	76.9	Confident	76.5	Confident	69 Å²	69	106.2 Å²	106.2	42%	0.423	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-44.7	178	-39.8	0	0	0	0	111.5	K374 S375 K380 E381 M382	K374-T378 PolarHBondContact O-N 3.32Å; K374-T378 PolarHBondContact O-OG1 3.34Å; S375-T378 PolarHBondContact O-N 2.88Å; T378-K380 VanDerWaalsContact C-N 3.34Å; T378-K380 PolarHBondContact O-N 3.49Å; T378-E381 PolarHBondContact O-N 2.98Å; T378-M382 WeakPolarHBondContact O-CG 3.5Å; T378-M382 PolarHBondContact O-N 3.29Å
379	A	74.6	Confident	76.3	Confident	52 Å²	52	107.6 Å²	107.6	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-33.6	177.5	0	0	0	0	0	112.2	S375 L376 F377 H383	S375-A379 VanDerWaalsContact O-CB 3.27Å; S375-A379 WeakPolarHBondContact O-CB 3.36Å; S375-A379 PolarHBondContact O-N 3.47Å; L376-A379 PolarHBondContact O-N 3.37Å; F377-A379 PolarHBondContact O-N 2.86Å; A379-H383 WeakPolarHBondContact O-CA 3.43Å; A379-H383 WeakPolarHBondContact O-CB 3.4Å; A379-H383 PolarHBondContact O-N 3.12Å
380	K	79	Confident	75.5	Confident	134 Å²	134	105.4 Å²	105.4	58%	0.583	51%	0.513	S	S	*	.	H	α-helix	trans	-66.4	-39.5	173.5	-82.1	176.2	175.3	-178.7	0	111.6	L376 F377 T378 R384	L376-K380 HydrophobicContact CD1-CG 4.37Å; L376-K380 HydrophobicContact CG-CD 4.21Å; L376-K380 HydrophobicContact CG-CG 4.46Å; L376-K380 VanDerWaalsContact O-CB 3.26Å; L376-K380 WeakPolarHBondContact O-CB 3.39Å; L376-K380 VanDerWaalsContact O-CG 3.22Å; L376-K380 WeakPolarHBondContact O-CG 3.42Å; L376-K380 PolarHBondContact O-N 3.27Å; F377-K380 WeakPolarHBondContact O-CB 3.33Å; F377-K380 PolarHBondContact O-N 2.96Å; T378-K380 VanDerWaalsContact C-N 3.34Å; T378-K380 PolarHBondContact O-N 3.49Å; K380-R384 WeakPolarHBondContact O-CB 3.32Å; K380-R384 PolarHBondContact O-N 3.11Å
381	E	78.8	Confident	74.4	Confident	110 Å²	110	107.5 Å²	107.5	51%	0.514	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-52.7	172.7	-76.7	-169.3	152.9	0	0	110.9	F377 T378 H383 R384 D385	F377-E381 HydrophobicContact CE1-CG 4.29Å; F377-E381 PolarHBondContact O-N 3.03Å; T378-E381 PolarHBondContact O-N 2.98Å; E381-H383 VanDerWaalsContact C-N 3.28Å; E381-H383 PolarHBondContact O-N 3.38Å; E381-R384 WeakPolarHBondContact O-CA 3.48Å; E381-R384 WeakPolarHBondContact O-CB 3.32Å; E381-R384 PolarHBondContact O-N 3.08Å; E381-D385 PolarHBondContact O-N 2.76Å
382	M	75.8	Confident	73	Confident	123 Å²	123	106.4 Å²	106.4	61%	0.606	52%	0.522	S	S	*	.	H	α-helix	trans	-59.1	-38.2	176.9	-68.1	178.8	69.2	0	0	112.8	T378 R384 D385 M386	T378-M382 WeakPolarHBondContact O-CG 3.5Å; T378-M382 PolarHBondContact O-N 3.29Å; M382-R384 VanDerWaalsContact C-N 3.32Å; M382-D385 PolarHBondContact O-N 2.86Å; M382-M386 WeakPolarHBondContact O-CB 3.4Å; M382-M386 PolarHBondContact O-N 3.46Å
383	H	79.3	Confident	71.8	Confident	93 Å²	93	103.4 Å²	103.4	43%	0.431	51%	0.513	S	S	.	.	H	α-helix	trans	-68.9	-32.1	176.2	-178.3	70.7	0	0	0	111.6	A379 E381 Q387	A379-H383 WeakPolarHBondContact O-CA 3.43Å; A379-H383 WeakPolarHBondContact O-CB 3.4Å; A379-H383 PolarHBondContact O-N 3.12Å; E381-H383 VanDerWaalsContact C-N 3.28Å; E381-H383 PolarHBondContact O-N 3.38Å; H383-Q387 VanDerWaalsContact CE1-CG 3.48Å; H383-Q387 WeakPolarHBondContact CE1-CG 3.26Å; H383-Q387 VanDerWaalsContact NE2-CG 3.31Å; H383-Q387 WeakPolarHBondContact NE2-CG 3.36Å; H383-Q387 WeakPolarHBondContact O-CA 3.37Å; H383-Q387 WeakPolarHBondContact O-CB 3.37Å; H383-Q387 WeakPolarHBondContact O-CG 3.43Å; H383-Q387 PolarHBondContact O-N 3.34Å
384	R	71.4	Confident	70.4	Confident	198 Å²	198	103.1 Å²	103.1	75%	0.747	51%	0.508	S	S	*	.	H	α-helix	trans	-67	-44.8	174.5	-158.8	-177.8	-166.4	124.4	3.3	110.7	K380 E381 M382 Q387 Q388	K380-R384 WeakPolarHBondContact O-CB 3.32Å; K380-R384 PolarHBondContact O-N 3.11Å; E381-R384 WeakPolarHBondContact O-CA 3.48Å; E381-R384 WeakPolarHBondContact O-CB 3.32Å; E381-R384 PolarHBondContact O-N 3.08Å; M382-R384 VanDerWaalsContact C-N 3.32Å; R384-Q387 PolarHBondContact O-N 3.04Å; R384-Q388 PolarHBondContact O-N 3.25Å; R384-Q388 VanDerWaalsContact O-N 3.09Å
385	D	75.5	Confident	68.8	Low	99 Å²	99	103 Å²	103	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-48.6	174.7	-65.1	-14.1	0	0	0	110.5	E381 M382 Q387 Q388 D389	E381-D385 PolarHBondContact O-N 2.76Å; M382-D385 PolarHBondContact O-N 2.86Å; D385-Q387 PolarHBondContact O-N 2.97Å; D385-Q388 WeakPolarHBondContact O-CA 3.49Å; D385-Q388 VanDerWaalsContact O-CB 3.23Å; D385-Q388 WeakPolarHBondContact O-CB 3.45Å; D385-Q388 PolarHBondContact O-N 3.41Å; D385-Q388 VanDerWaalsContact O-N 3.12Å; D385-D389 PolarHBondContact O-N 3.41Å
386	M	69.1	Low	67	Low	94 Å²	94	109.2 Å²	109.2	46%	0.463	54%	0.535	S	S	.	.	H	α-helix	trans	-70.1	-30	-179.5	-173.4	178.1	44	0	0	112.9	M382 Q388 D389 L390	M382-M386 WeakPolarHBondContact O-CB 3.4Å; M382-M386 PolarHBondContact O-N 3.46Å; M386-Q388 VanDerWaalsContact C-N 3.31Å; M386-D389 CarbonylContact O-C 3.5Å; M386-D389 PolarHBondContact O-N 2.9Å; M386-L390 HydrophobicContact CG-CD1 4.14Å; M386-L390 WeakPolarHBondContact O-CA 3.32Å; M386-L390 WeakPolarHBondContact O-CB 3.31Å; M386-L390 PolarHBondContact O-N 3.4Å
387	Q	72.6	Confident	64.9	Low	88 Å²	88	108.8 Å²	108.8	41%	0.411	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-37.1	170.7	-85	-94.7	-62.3	0	0	110.5	H383 R384 D385 D389 L390 E391	H383-Q387 VanDerWaalsContact CE1-CG 3.48Å; H383-Q387 WeakPolarHBondContact CE1-CG 3.26Å; H383-Q387 VanDerWaalsContact NE2-CG 3.31Å; H383-Q387 WeakPolarHBondContact NE2-CG 3.36Å; H383-Q387 WeakPolarHBondContact O-CA 3.37Å; H383-Q387 WeakPolarHBondContact O-CB 3.37Å; H383-Q387 WeakPolarHBondContact O-CG 3.43Å; H383-Q387 PolarHBondContact O-N 3.34Å; R384-Q387 PolarHBondContact O-N 3.04Å; D385-Q387 PolarHBondContact O-N 2.97Å; Q387-D389 VanDerWaalsContact C-N 3.29Å; Q387-L390 PolarHBondContact O-N 3.12Å; Q387-E391 PolarHBondContact O-N 2.95Å
388	Q	70.2	Confident	62.9	Low	132 Å²	132	108.1 Å²	108.1	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-39.5	172.4	-142.6	171.2	4.7	0	0	110.7	R384 D385 M386 I392	R384-Q388 PolarHBondContact O-N 3.25Å; R384-Q388 VanDerWaalsContact O-N 3.09Å; D385-Q388 WeakPolarHBondContact O-CA 3.49Å; D385-Q388 VanDerWaalsContact O-CB 3.23Å; D385-Q388 WeakPolarHBondContact O-CB 3.45Å; D385-Q388 PolarHBondContact O-N 3.41Å; D385-Q388 VanDerWaalsContact O-N 3.12Å; M386-Q388 VanDerWaalsContact C-N 3.31Å; Q388-I392 WeakPolarHBondContact O-CD1 3.49Å; Q388-I392 WeakPolarHBondContact O-CG1 3.41Å
389	D	70.5	Confident	60.8	Low	106 Å²	106	109.2 Å²	109.2	57%	0.567	56%	0.559	S	S	*	*	H	α-helix	trans	-71	-33.9	172.5	-66.8	-26.2	0	0	0	113.1	D385 M386 Q387 I392 A393	D385-D389 PolarHBondContact O-N 3.41Å; M386-D389 CarbonylContact O-C 3.5Å; M386-D389 PolarHBondContact O-N 2.9Å; Q387-D389 VanDerWaalsContact C-N 3.29Å; D389-I392 WeakPolarHBondContact O-CB 3.36Å; D389-I392 PolarHBondContact O-N 3.49Å; D389-A393 PolarHBondContact O-N 3.04Å; D389-A393 VanDerWaalsContact O-N 3.12Å
390	L	59.5	Low	58.7	Low	60 Å²	60	112.1 Å²	112.1	31%	0.314	57%	0.571	S	S	.	*	H	α-helix	trans	-77.4	-35.6	-179.1	-105.5	154.9	0	0	0	111.5	M386 Q387 I392 A393 E394	M386-L390 HydrophobicContact CG-CD1 4.14Å; M386-L390 WeakPolarHBondContact O-CA 3.32Å; M386-L390 WeakPolarHBondContact O-CB 3.31Å; M386-L390 PolarHBondContact O-N 3.4Å; Q387-L390 PolarHBondContact O-N 3.12Å; L390-I392 PolarHBondContact O-N 3.34Å; L390-A393 CarbonylContact O-C 3.59Å; L390-A393 WeakPolarHBondContact O-CA 3.41Å; L390-A393 PolarHBondContact O-N 3.47Å; L390-E394 HydrophobicContact CD2-CG 3.97Å; L390-E394 WeakPolarHBondContact O-CB 3.41Å; L390-E394 PolarHBondContact O-N 3.46Å
391	E	58.8	Low	56.3	Low	137 Å²	137	109.3 Å²	109.3	64%	0.64	58%	0.58	S	S	*	*	H	α-helix	trans	-56.4	-34.3	168.5	-93.8	-174.6	154.2	0	0	110.5	Q387 I395	Q387-E391 PolarHBondContact O-N 2.95Å; E391-I395 WeakPolarHBondContact O-CD1 3.41Å; E391-I395 WeakPolarHBondContact O-CG1 3.43Å
392	I	51	Low	53.8	Low	121 Å²	121	114.5 Å²	114.5	62%	0.621	60%	0.601	S	S	*	*	H	α-helix	trans	-71.4	-28.9	174.4	-60.8	168.2	0	0	0	111.8	Q388 D389 L390	Q388-I392 WeakPolarHBondContact O-CD1 3.49Å; Q388-I392 WeakPolarHBondContact O-CG1 3.41Å; D389-I392 WeakPolarHBondContact O-CB 3.36Å; D389-I392 PolarHBondContact O-N 3.49Å; L390-I392 PolarHBondContact O-N 3.34Å
393	A	48.1	Very low	51.6	Low	42 Å²	42	117.9 Å²	117.9	35%	0.347	62%	0.616	S	S	.	*	H	α-helix	trans	-97.8	-28.9	-177.8	0	0	0	0	0	115.4	D389 L390 K396 T397	D389-A393 PolarHBondContact O-N 3.04Å; D389-A393 VanDerWaalsContact O-N 3.12Å; L390-A393 CarbonylContact O-C 3.59Å; L390-A393 WeakPolarHBondContact O-CA 3.41Å; L390-A393 PolarHBondContact O-N 3.47Å; A393-K396 CarbonylContact O-C 3.47Å; A393-K396 VanDerWaalsContact O-CA 3.27Å; A393-K396 WeakPolarHBondContact O-CA 3.28Å; A393-K396 WeakPolarHBondContact O-CB 3.29Å; A393-K396 PolarHBondContact O-N 3.42Å; A393-T397 PolarHBondContact O-N 2.92Å; A393-T397 VanDerWaalsContact O-N 3.07Å; A393-T397 PolarHBondContact O-OG1 2.86Å
394	E	46.9	Very low	49.5	Very low	92 Å²	92	122.6 Å²	122.6	43%	0.43	64%	0.635	S	S	.	*	H	α-helix	trans	-72.8	-32	177.6	-99.3	-179.1	150	0	0	110.3	L390 K396 T397 T398	L390-E394 HydrophobicContact CD2-CG 3.97Å; L390-E394 WeakPolarHBondContact O-CB 3.41Å; L390-E394 PolarHBondContact O-N 3.46Å; E394-K396 PolarHBondContact O-N 3.07Å; E394-T397 PolarHBondContact O-N 3.03Å; E394-T398 WeakPolarHBondContact CB-OG1 3.3Å; E394-T398 WeakPolarHBondContact O-CB 3.47Å; E394-T398 PolarHBondContact O-N 2.71Å; E394-T398 PolarHBondContact O-OG1 2.74Å
395	I	48	Very low	48.2	Very low	156 Å²	156	120.7 Å²	120.7	80%	0.8	63%	0.632	S	S	*	*	H	α-helix	trans	-51.8	-26.3	162.6	-67.9	172.3	0	0	0	111.1	E391	E391-I395 WeakPolarHBondContact O-CD1 3.41Å; E391-I395 WeakPolarHBondContact O-CG1 3.43Å
396	K	41.5	Very low	47.2	Very low	177 Å²	177	120 Å²	120	77%	0.77	62%	0.624	S	S	*	*	H	α-helix	trans	-95	-19.7	174.9	-67.1	178.6	174.4	174.6	0	115.7	A393 E394	A393-K396 CarbonylContact O-C 3.47Å; A393-K396 VanDerWaalsContact O-CA 3.27Å; A393-K396 WeakPolarHBondContact O-CA 3.28Å; A393-K396 WeakPolarHBondContact O-CB 3.29Å; A393-K396 PolarHBondContact O-N 3.42Å; E394-K396 PolarHBondContact O-N 3.07Å
397	T	37.5	Very low	47	Very low	75 Å²	75	116.2 Å²	116.2	46%	0.46	61%	0.606	S	S	.	*	H	α-helix	trans	-125.5	-13.5	-168	37.3	0	0	0	0	116	A393 E394 A399 T400	A393-T397 PolarHBondContact O-N 2.92Å; A393-T397 VanDerWaalsContact O-N 3.07Å; A393-T397 PolarHBondContact O-OG1 2.86Å; E394-T397 PolarHBondContact O-N 3.03Å; T397-A399 PolarHBondContact O-N 2.85Å; T397-T400 PolarHBondContact O-N 3.38Å; T397-T400 PolarHBondContact O-OG1 2.86Å
398	T	36.5	Very low	46.8	Very low	112 Å²	112	112.1 Å²	112.1	69%	0.687	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	4.8	174.8	-40.7	0	0	0	0	113.5	E394	E394-T398 WeakPolarHBondContact CB-OG1 3.3Å; E394-T398 WeakPolarHBondContact O-CB 3.47Å; E394-T398 PolarHBondContact O-N 2.71Å; E394-T398 PolarHBondContact O-OG1 2.74Å
399	A	33	Very low	46.7	Very low	93 Å²	93	106.6 Å²	106.6	77%	0.769	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-7.6	165.8	0	0	0	0	0	114.8	T397	T397-A399 PolarHBondContact O-N 2.85Å
400	T	30.7	Very low	46.4	Very low	113 Å²	113	108.2 Å²	108.2	69%	0.693	57%	0.565	S	S	*	*	S	Bend	trans	-141.2	96.7	-172.2	55.8	0	0	0	0	115.4	T397	T397-T400 PolarHBondContact O-N 3.38Å; T397-T400 PolarHBondContact O-OG1 2.86Å
401	G	28.2	Very low	46.6	Very low	74 Å²	74	108 Å²	108	76%	0.763	56%	0.563	S	S	*	*			trans	96.3	95.3	138.7	0	0	0	0	0	118.4
402	F	26	Very low	46.8	Very low	219 Å²	219	105.5 Å²	105.5	96%	0.961	56%	0.557	S	S	*	*			trans	-141.8	99	155.8	-114.3	-90.3	0	0	0	108.8
403	E	29.7	Very low	47.4	Very low	195 Å²	195	104.2 Å²	104.2	91%	0.911	56%	0.556	S	S	*	*			trans	-124.3	147.7	173.6	-81.7	-162.9	154.5	0	0	113
404	K	34.8	Very low	48.1	Very low	191 Å²	191	106 Å²	106	83%	0.83	57%	0.571	S	S	*	*			trans	-76.7	147.1	-158.9	-70.9	159.2	171.6	165.6	0	113.7	F406	K404-F406 HydrophobicContact CB-CE2 4.3Å
405	K	43.7	Very low	48.9	Very low	158 Å²	158	106.2 Å²	106.2	69%	0.687	57%	0.571	S	S	*	*			trans	-122	123.8	178.1	-79.8	-156.6	165.5	176.1	0	111.8	H407	K405-H407 WeakPolarHBondContact CB-CE1 3.49Å; K405-H407 VanDerWaalsContact CD-CE1 3.44Å; K405-H407 WeakPolarHBondContact CD-CE1 3.39Å; K405-H407 WeakPolarHBondContact CG-CE1 3.39Å
406	F	54.2	Low	49.7	Very low	84 Å²	84	99.6 Å²	99.6	37%	0.368	54%	0.536	S	S	.	.			trans	-132.8	110.8	170.8	-65.9	-78.2	0	0	0	109.2	K404 K427 T434	K404-F406 HydrophobicContact CB-CE2 4.3Å; F406-K427 HydrophobicContact CD1-CB 4.3Å; F406-K427 HydrophobicContact CE1-CB 3.99Å; F406-T434 HydrophobicContact CE1-CG2 3.74Å; F406-T434 HydrophobicContact CZ-CG2 4.36Å
407	H	65.1	Low	50.7	Low	16 Å²	16	95.1 Å²	95.1	7%	0.074	53%	0.532	C	S	.	.			trans	-129	97	-165	-66.1	83.6	0	0	0	112.2	K405 Y419 Y424 C439 M441	K405-H407 WeakPolarHBondContact CB-CE1 3.49Å; K405-H407 VanDerWaalsContact CD-CE1 3.44Å; K405-H407 WeakPolarHBondContact CD-CE1 3.39Å; K405-H407 WeakPolarHBondContact CG-CE1 3.39Å; H407-Y419 AromaticContact CD2-CE1 3.5Å; H407-Y419 VanDerWaalsContact CD2-CE1 3.5Å; H407-Y419 WeakPolarHBondContact CD2-CE1 3.48Å; H407-Y419 AromaticContact CD2-CE2 3.77Å; H407-Y419 AromaticContact CD2-CZ 3.32Å; H407-Y419 PolarHBondContact CD2-OH 3.48Å; H407-Y419 AromaticContact NE2-CE1 3.68Å; H407-Y419 AromaticContact NE2-CZ 3.57Å; H407-Y419 PolarHBondContact NE2-OH 3.43Å; H407-Y424 HydrophobicContact CB-CD1 3.47Å; H407-Y424 VanDerWaalsContact CB-CD1 3.47Å; H407-Y424 HydrophobicContact CB-CE1 3.76Å; H407-Y424 HydrophobicContact CB-CG 3.97Å; H407-Y424 WeakPolarHBondContact O-CB 3.29Å; H407-C439 PolarHBondContact O-SG 3.45Å; H407-M441 HydrophobicContact CB-CE 4.08Å; H407-M441 WeakPolarHBondContact O-CE 3.38Å
408	C	69.8	Low	52.1	Low	1 Å²	1	96.7 Å²	96.7	1%	0.007	54%	0.542	C	S	.	.	S	Bend	trans	160.8	-9.1	148.5	60.8	0	0	0	0	112.1	C439 M441 T449	C408-C439 HydrophobicContact CB-CB 3.52Å; C408-C439 WeakPolarHBondContact CB-SG 3.5Å; C408-C439 WeakPolarHBondContact SG-CB 3.47Å; C408-C439 CovalentContact SG-SG 2.08Å; C408-C439 PolarHBondContact SG-SG 3.45Å; C408-M441 HydrophobicContact CB-CE 3.62Å; C408-M441 HydrophobicContact CB-SD 4.27Å; C408-T449 PolarHBondContact SG-OG1 2.95Å; C408-T449 VanDerWaalsContact SG-OG1 3.33Å
409	L	68.2	Low	53.9	Low	17 Å²	17	93.9 Å²	93.9	9%	0.089	52%	0.519	C	S	.	.	S	Bend	trans	-89.1	-20	178.1	-64.3	179.9	0	0	0	115.7	I426 L489 R493 Y495	L409-I426 HydrophobicContact CD1-CB 3.79Å; L409-I426 HydrophobicContact CD1-CD1 4.29Å; L409-I426 HydrophobicContact CD1-CG1 4.48Å; L409-I426 HydrophobicContact CD1-CG2 4.39Å; L409-I426 HydrophobicContact CD2-CD1 4.37Å; L409-I426 HydrophobicContact CG-CB 4.11Å; L409-I426 HydrophobicContact CG-CD1 4.41Å; L409-I426 HydrophobicContact CG-CG2 4.18Å; L409-L489 HydrophobicContact CD1-CD2 4.34Å; L409-L489 HydrophobicContact CD2-CD2 3.71Å; L409-R493 PolarHBondContact O-NH1 3.3Å; L409-Y495 VanDerWaalsContact CD2-OH 3.31Å; L409-Y495 WeakPolarHBondContact CD2-OH 3.32Å
410	Q	63.5	Low	56.2	Low	140 Å²	140	96.7 Å²	96.7	65%	0.654	52%	0.516	S	S	*	.	S	Bend	trans	-145.9	32.6	-156.7	-76.2	-173.3	-28.7	0	0	116.1
411	E	62.7	Low	58.8	Low	56 Å²	56	93.4 Å²	93.4	26%	0.262	50%	0.498	S	S	.	.			trans	-127.3	160.1	177.9	-66.3	-76.2	-152.7	0	0	112.4	K415 F416	E411-K415 HydrophobicContact CB-CB 4.22Å; E411-K415 HydrophobicContact CB-CD 4.49Å; E411-K415 VanDerWaalsContact CD-CD 3.43Å; E411-K415 VanDerWaalsContact CD-NZ 3.27Å; E411-K415 HydrophobicContact CG-CD 4.41Å; E411-K415 IonicContact OE1-NZ 3.73Å; E411-K415 PolarHBondContact OE1-NZ 3.36Å; E411-K415 WeakPolarHBondContact OE2-CD 3.47Å; E411-K415 WeakPolarHBondContact OE2-CE 3.25Å; E411-K415 IonicContact OE2-NZ 2.95Å; E411-K415 PolarHBondContact OE2-NZ 2.83Å; E411-F416 HydrophobicContact CB-CD1 4.2Å; E411-F416 HydrophobicContact CB-CE1 3.67Å; E411-F416 HydrophobicContact CB-CE2 4.27Å; E411-F416 HydrophobicContact CB-CZ 3.71Å; E411-F416 HydrophobicContact CG-CE1 4.48Å; E411-F416 WeakPolarHBondContact O-CE2 3.41Å; E411-F416 WeakPolarHBondContact O-CZ 3.25Å
412	T	64.6	Low	61.5	Low	83 Å²	83	91 Å²	91	51%	0.509	47%	0.473	S	S	.	.			trans	-77.1	153.2	175	55.3	0	0	0	0	110.5	A414 K415 F416	T412-A414 PolarHBondContact O-N 3.34Å; T412-K415 PolarHBondContact O-N 2.84Å; T412-F416 PolarHBondContact O-N 3.07Å
413	P	62.7	Low	64.3	Low	94 Å²	94	84.5 Å²	84.5	61%	0.61	45%	0.448	S	S	*	.	H	α-helix	trans	-49.8	-35.2	176.2	-28.4	34.8	0	0	0	114.1	K415 F416 A417	P413-K415 VanDerWaalsContact C-N 3.32Å; P413-K415 PolarHBondContact O-N 3.46Å; P413-F416 PolarHBondContact O-N 3.5Å; P413-A417 PolarHBondContact O-N 3.12Å
414	A	62.3	Low	66.8	Low	80 Å²	80	77.5 Å²	77.5	66%	0.661	41%	0.413	S	S	*	.	H	α-helix	trans	-64.2	-32.2	178.2	0	0	0	0	0	113.7	T412	T412-A414 PolarHBondContact O-N 3.34Å
415	K	64.7	Low	69.2	Low	97 Å²	97	72.5 Å²	72.5	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-84	-30.6	175.9	-85.8	-179.2	170	-171.1	0	112.6	E411 T412 P413 A417 T418 Y419	E411-K415 HydrophobicContact CB-CB 4.22Å; E411-K415 HydrophobicContact CB-CD 4.49Å; E411-K415 VanDerWaalsContact CD-CD 3.43Å; E411-K415 VanDerWaalsContact CD-NZ 3.27Å; E411-K415 HydrophobicContact CG-CD 4.41Å; E411-K415 IonicContact OE1-NZ 3.73Å; E411-K415 PolarHBondContact OE1-NZ 3.36Å; E411-K415 WeakPolarHBondContact OE2-CD 3.47Å; E411-K415 WeakPolarHBondContact OE2-CE 3.25Å; E411-K415 IonicContact OE2-NZ 2.95Å; E411-K415 PolarHBondContact OE2-NZ 2.83Å; T412-K415 PolarHBondContact O-N 2.84Å; P413-K415 VanDerWaalsContact C-N 3.32Å; P413-K415 PolarHBondContact O-N 3.46Å; K415-A417 PolarHBondContact O-N 2.74Å; K415-T418 PolarHBondContact O-N 2.87Å; K415-T418 VanDerWaalsContact O-N 3.07Å; K415-T418 PolarHBondContact O-OG1 2.65Å; K415-Y419 HydrophobicContact CB-CE2 4.31Å; K415-Y419 WeakPolarHBondContact O-CD2 3.13Å; K415-Y419 VanDerWaalsContact O-CE2 3.32Å; K415-Y419 WeakPolarHBondContact O-CE2 3.42Å
416	F	63.8	Low	71.1	Confident	16 Å²	16	65 Å²	65	7%	0.07	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-34.6	175.2	-69.5	-50.4	0	0	0	112.4	E411 T412 P413 T418 Y419 M441 G445	E411-F416 HydrophobicContact CB-CD1 4.2Å; E411-F416 HydrophobicContact CB-CE1 3.67Å; E411-F416 HydrophobicContact CB-CE2 4.27Å; E411-F416 HydrophobicContact CB-CZ 3.71Å; E411-F416 HydrophobicContact CG-CE1 4.48Å; E411-F416 WeakPolarHBondContact O-CE2 3.41Å; E411-F416 WeakPolarHBondContact O-CZ 3.25Å; T412-F416 PolarHBondContact O-N 3.07Å; P413-F416 PolarHBondContact O-N 3.5Å; F416-T418 PolarHBondContact O-N 2.97Å; F416-T418 VanDerWaalsContact O-N 3.08Å; F416-Y419 HydrophobicContact CD1-CD2 4.37Å; F416-Y419 PolarHBondContact O-N 3.04Å; F416-M441 HydrophobicContact CD1-CE 4.36Å; F416-M441 HydrophobicContact CD1-SD 3.67Å; F416-M441 HydrophobicContact CE1-CE 4.48Å; F416-M441 HydrophobicContact CE1-SD 4.18Å; F416-G445 WeakPolarHBondContact CB-O 3.49Å; F416-G445 WeakPolarHBondContact CD2-O 3.44Å
417	A	62	Low	72.6	Confident	83 Å²	83	66 Å²	66	69%	0.686	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-13.4	176.3	0	0	0	0	0	115.1	P413 K415	P413-A417 PolarHBondContact O-N 3.12Å; K415-A417 PolarHBondContact O-N 2.74Å
418	T	67.9	Low	73.6	Confident	108 Å²	108	65.2 Å²	65.2	66%	0.663	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-4.4	175.2	65.8	0	0	0	0	113.4	K415 F416	K415-T418 PolarHBondContact O-N 2.87Å; K415-T418 VanDerWaalsContact O-N 3.07Å; K415-T418 PolarHBondContact O-OG1 2.65Å; F416-T418 PolarHBondContact O-N 2.97Å; F416-T418 VanDerWaalsContact O-N 3.08Å
419	Y	73.3	Confident	74.2	Confident	54 Å²	54	75 Å²	75	21%	0.212	40%	0.4	C	S	.	.	S	Bend	trans	-101.5	149.8	178.5	-60.5	-60.2	0	0	0	111.4	H407 K415 F416 M441	H407-Y419 AromaticContact CD2-CE1 3.5Å; H407-Y419 VanDerWaalsContact CD2-CE1 3.5Å; H407-Y419 WeakPolarHBondContact CD2-CE1 3.48Å; H407-Y419 AromaticContact CD2-CE2 3.77Å; H407-Y419 AromaticContact CD2-CZ 3.32Å; H407-Y419 PolarHBondContact CD2-OH 3.48Å; H407-Y419 AromaticContact NE2-CE1 3.68Å; H407-Y419 AromaticContact NE2-CZ 3.57Å; H407-Y419 PolarHBondContact NE2-OH 3.43Å; K415-Y419 HydrophobicContact CB-CE2 4.31Å; K415-Y419 WeakPolarHBondContact O-CD2 3.13Å; K415-Y419 VanDerWaalsContact O-CE2 3.32Å; K415-Y419 WeakPolarHBondContact O-CE2 3.42Å; F416-Y419 HydrophobicContact CD1-CD2 4.37Å; F416-Y419 PolarHBondContact O-N 3.04Å; Y419-M441 WeakPolarHBondContact O-CB 3.41Å
420	Q	81.3	Confident	74.7	Confident	152 Å²	152	83.5 Å²	83.5	71%	0.71	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-95.9	151.7	174.2	-68.7	178.8	-5.3	0	0	110.2	G422 Y424	Q420-G422 PolarHBondContact O-N 3.42Å; Q420-Y424 PolarHBondContact O-OH 3.25Å
421	S	86.2	Confident	75.5	Confident	44 Å²	44	77.5 Å²	77.5	31%	0.308	41%	0.405	S	S	.	.	S	Bend	trans	-62.9	137	172.8	-65.8	0	0	0	0	110.7	C439 D440 M441 E442	S421-C439 WeakPolarHBondContact CA-O 3.49Å; S421-D440 PolarHBondContact OG-OD1 2.93Å; S421-M441 PolarHBondContact OG-N 3.24Å; S421-M441 VanDerWaalsContact OG-N 3.12Å; S421-E442 PolarHBondContact N-OE1 3.36Å
422	G	84.9	Confident	76.3	Confident	23 Å²	23	80.1 Å²	80.1	24%	0.237	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-169.5	-172.4	0	0	0	0	0	114.9	Q420 Y424 R438 C439	Q420-G422 PolarHBondContact O-N 3.42Å; G422-Y424 WeakPolarHBondContact O-CD2 3.37Å; G422-R438 WeakPolarHBondContact O-CA 3.4Å; G422-C439 PolarHBondContact N-O 3.28Å; G422-C439 PolarHBondContact O-N 2.85Å
423	L	84.2	Confident	77	Confident	83 Å²	83	80.1 Å²	80.1	44%	0.435	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.7	177.4	-59	-178.5	0	0	0	110.7	L436 V437 R438 L475	L423-L436 HydrophobicContact CB-CD1 4.06Å; L423-L436 HydrophobicContact CB-CG 4.42Å; L423-L436 HydrophobicContact CD1-CD2 4.32Å; L423-V437 CarbonylContact C-O 3.45Å; L423-V437 VanDerWaalsContact CA-O 3.29Å; L423-V437 WeakPolarHBondContact CA-O 3.32Å; L423-R438 HydrophobicContact CD2-CB 3.99Å; L423-L475 HydrophobicContact CD2-CB 3.6Å; L423-L475 HydrophobicContact CD2-CD1 4.07Å; L423-L475 HydrophobicContact CD2-CG 4.48Å
424	Y	83.8	Confident	78	Confident	48 Å²	48	78.9 Å²	78.9	19%	0.188	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.7	-178.2	-66.9	-80.6	0	0	0	111.1	H407 Q420 G422 V437 C439 M441	H407-Y424 HydrophobicContact CB-CD1 3.47Å; H407-Y424 VanDerWaalsContact CB-CD1 3.47Å; H407-Y424 HydrophobicContact CB-CE1 3.76Å; H407-Y424 HydrophobicContact CB-CG 3.97Å; H407-Y424 WeakPolarHBondContact O-CB 3.29Å; Q420-Y424 PolarHBondContact O-OH 3.25Å; G422-Y424 WeakPolarHBondContact O-CD2 3.37Å; Y424-V437 PolarHBondContact N-O 3.32Å; Y424-V437 WeakPolarHBondContact O-CG2 3.24Å; Y424-V437 PolarHBondContact O-N 3.41Å; Y424-C439 HydrophobicContact CD2-CB 3.74Å; Y424-C439 HydrophobicContact CE2-CB 4.26Å; Y424-M441 HydrophobicContact CD2-CE 4.17Å; Y424-M441 HydrophobicContact CE2-CE 3.91Å; Y424-M441 HydrophobicContact CE2-CG 4.38Å
425	L	83.1	Confident	79.1	Confident	86 Å²	86	76.5 Å²	76.5	45%	0.45	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.8	168.7	-70.3	171.2	0	0	0	109.4	V435 L436	L425-V435 WeakPolarHBondContact CA-O 3.47Å; L425-L436 HydrophobicContact CD2-CB 4Å; L425-L436 HydrophobicContact CD2-CD1 3.98Å; L425-L436 HydrophobicContact CG-CD1 4.19Å
426	I	85.3	Confident	80.2	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.005	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.7	173.5	65.2	167.7	0	0	0	110	L409 T434 V435 V437 T449 L489	L409-I426 HydrophobicContact CD1-CB 3.79Å; L409-I426 HydrophobicContact CD1-CD1 4.29Å; L409-I426 HydrophobicContact CD1-CG1 4.48Å; L409-I426 HydrophobicContact CD1-CG2 4.39Å; L409-I426 HydrophobicContact CD2-CD1 4.37Å; L409-I426 HydrophobicContact CG-CB 4.11Å; L409-I426 HydrophobicContact CG-CD1 4.41Å; L409-I426 HydrophobicContact CG-CG2 4.18Å; I426-T434 CarbonylContact O-C 3.58Å; I426-T434 VanDerWaalsContact O-CA 3.26Å; I426-T434 WeakPolarHBondContact O-CA 3.37Å; I426-V435 PolarHBondContact N-O 2.92Å; I426-V435 PolarHBondContact O-N 3.01Å; I426-V437 HydrophobicContact CB-CG2 4.37Å; I426-V437 HydrophobicContact CD1-CB 4.27Å; I426-V437 HydrophobicContact CD1-CG1 3.54Å; I426-V437 HydrophobicContact CD1-CG2 3.76Å; I426-V437 HydrophobicContact CG1-CB 4.45Å; I426-V437 HydrophobicContact CG1-CG1 3.74Å; I426-V437 HydrophobicContact CG1-CG2 3.82Å; I426-V437 HydrophobicContact CG2-CG2 3.7Å; I426-T449 HydrophobicContact CD1-CG2 4.47Å; I426-L489 HydrophobicContact CD1-CD1 4.09Å; I426-L489 HydrophobicContact CD1-CD2 3.84Å
427	K	85.7	Confident	81.5	Confident	103 Å²	103	74.9 Å²	74.9	45%	0.448	39%	0.393	S	S	.	.			trans	-119.3	102.3	172.5	-167.4	175.2	-179.6	175.6	0	109.2	F406 R429 S431 T434	F406-K427 HydrophobicContact CD1-CB 4.3Å; F406-K427 HydrophobicContact CE1-CB 3.99Å; K427-R429 PolarHBondContact O-N 3.04Å; K427-S431 WeakPolarHBondContact CE-O 3.47Å; K427-T434 HydrophobicContact CB-CG2 4.14Å; K427-T434 HydrophobicContact CD-CG2 4.45Å; K427-T434 HydrophobicContact CG-CG2 4.35Å
428	P	85.2	Confident	82.9	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.006	37%	0.373	C	S	.	.			trans	-54.9	140	170.1	-22	31.7	0	0	0	109.9	R430 S431 L488 L489	P428-R430 PolarHBondContact O-N 3.12Å; P428-S431 WeakPolarHBondContact O-CB 3.47Å; P428-S431 PolarHBondContact O-N 3.34Å; P428-L488 HydrophobicContact CB-CB 3.89Å; P428-L488 HydrophobicContact CG-CB 4.49Å; P428-L489 HydrophobicContact CB-CD2 4.15Å; P428-L489 HydrophobicContact CG-CD2 3.94Å; P428-L489 HydrophobicContact CG-CG 4.31Å
429	R	82.5	Confident	83.9	Confident	207 Å²	207	69 Å²	69	78%	0.781	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.5	-168	-175.1	178	168.6	170.7	-0.7	114	K427 Q492	K427-R429 PolarHBondContact O-N 3.04Å; R429-Q492 HydrophobicContact CB-CB 4.17Å
430	R	78.8	Confident	84.7	Confident	194 Å²	194	67.2 Å²	67.2	73%	0.732	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	7.9	179	-64.9	-174.6	179.6	167.7	0.3	113.7	P428 L488	P428-R430 PolarHBondContact O-N 3.12Å; R430-L488 HydrophobicContact CB-CD2 4.18Å
431	S	81.5	Confident	84.9	Confident	15 Å²	15	60.1 Å²	60.1	11%	0.105	30%	0.303	C	S	.	.			trans	-91	137.7	175.6	-173.8	0	0	0	0	111.1	K427 P428 T433	K427-S431 WeakPolarHBondContact CE-O 3.47Å; P428-S431 WeakPolarHBondContact O-CB 3.47Å; P428-S431 PolarHBondContact O-N 3.34Å; S431-T433 VanDerWaalsContact C-N 3.28Å; S431-T433 WeakPolarHBondContact CB-O 3.36Å; S431-T433 PolarHBondContact OG-N 3.09Å; S431-T433 PolarHBondContact OG-O 3.29Å; S431-T433 PolarHBondContact OG-OG1 3.32Å
432	S	79.4	Confident	84.7	Confident	111 Å²	111	64.5 Å²	64.5	78%	0.776	32%	0.318	S	S	*	.	S	Bend	trans	-73.7	-23.8	167.1	53.4	0	0	0	0	111.8
433	T	77.7	Confident	84.2	Confident	82 Å²	82	65.1 Å²	65.1	50%	0.503	32%	0.316	S	S	.	.	S	Bend	trans	-110.1	152.9	-173.9	59.9	0	0	0	0	112.5	S431	S431-T433 VanDerWaalsContact C-N 3.28Å; S431-T433 WeakPolarHBondContact CB-O 3.36Å; S431-T433 PolarHBondContact OG-N 3.09Å; S431-T433 PolarHBondContact OG-O 3.29Å; S431-T433 PolarHBondContact OG-OG1 3.32Å
434	T	83.7	Confident	83.6	Confident	68 Å²	68	66.5 Å²	66.5	42%	0.417	32%	0.324	S	S	.	.			trans	-89.4	138.5	168.7	54.2	0	0	0	0	109.5	F406 I426 K427	F406-T434 HydrophobicContact CE1-CG2 3.74Å; F406-T434 HydrophobicContact CZ-CG2 4.36Å; I426-T434 CarbonylContact O-C 3.58Å; I426-T434 VanDerWaalsContact O-CA 3.26Å; I426-T434 WeakPolarHBondContact O-CA 3.37Å; K427-T434 HydrophobicContact CB-CG2 4.14Å; K427-T434 HydrophobicContact CD-CG2 4.45Å; K427-T434 HydrophobicContact CG-CG2 4.35Å
435	V	86.4	Confident	83.1	Confident	30 Å²	30	65.9 Å²	65.9	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.2	179.4	-174.6	0	0	0	0	109	L425 I426 V437 L481 V485	L425-V435 WeakPolarHBondContact CA-O 3.47Å; I426-V435 PolarHBondContact N-O 2.92Å; I426-V435 PolarHBondContact O-N 3.01Å; V435-V437 HydrophobicContact CG1-CG1 4.23Å; V435-L481 HydrophobicContact CG1-CD1 4.44Å; V435-V485 HydrophobicContact CB-CG1 4.47Å; V435-V485 HydrophobicContact CG1-CG1 4.22Å; V435-V485 HydrophobicContact CG1-CG2 4.24Å; V435-V485 HydrophobicContact CG2-CG1 4.34Å; V435-V485 HydrophobicContact CG2-CG2 4.05Å
436	L	88	Confident	83.1	Confident	80 Å²	80	61.8 Å²	61.8	42%	0.419	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.5	171.8	-171.8	67.6	0	0	0	108.9	L423 L425 L475	L423-L436 HydrophobicContact CB-CD1 4.06Å; L423-L436 HydrophobicContact CB-CG 4.42Å; L423-L436 HydrophobicContact CD1-CD2 4.32Å; L425-L436 HydrophobicContact CD2-CB 4Å; L425-L436 HydrophobicContact CD2-CD1 3.98Å; L425-L436 HydrophobicContact CG-CD1 4.19Å; L436-L475 HydrophobicContact CB-CD1 4.21Å; L436-L475 HydrophobicContact CD2-CD1 4.07Å; L436-L475 HydrophobicContact CG-CD1 3.88Å; L436-L475 VanDerWaalsContact O-CD1 3.31Å; L436-L475 WeakPolarHBondContact O-CD1 3.43Å
437	V	90.7	Very high	83.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.3	-179.2	-59.1	0	0	0	0	110.6	L423 Y424 I426 V435 T449 L481	L423-V437 CarbonylContact C-O 3.45Å; L423-V437 VanDerWaalsContact CA-O 3.29Å; L423-V437 WeakPolarHBondContact CA-O 3.32Å; Y424-V437 PolarHBondContact N-O 3.32Å; Y424-V437 WeakPolarHBondContact O-CG2 3.24Å; Y424-V437 PolarHBondContact O-N 3.41Å; I426-V437 HydrophobicContact CB-CG2 4.37Å; I426-V437 HydrophobicContact CD1-CB 4.27Å; I426-V437 HydrophobicContact CD1-CG1 3.54Å; I426-V437 HydrophobicContact CD1-CG2 3.76Å; I426-V437 HydrophobicContact CG1-CB 4.45Å; I426-V437 HydrophobicContact CG1-CG1 3.74Å; I426-V437 HydrophobicContact CG1-CG2 3.82Å; I426-V437 HydrophobicContact CG2-CG2 3.7Å; V435-V437 HydrophobicContact CG1-CG1 4.23Å; V437-T449 HydrophobicContact CB-CG2 3.99Å; V437-T449 HydrophobicContact CG1-CG2 4.25Å; V437-T449 HydrophobicContact CG2-CG2 4.05Å; V437-L481 HydrophobicContact CG1-CD1 3.77Å; V437-L481 HydrophobicContact CG1-CD2 4.25Å
438	R	91.2	Very high	83.4	Confident	66 Å²	66	57 Å²	57	25%	0.249	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.9	166.5	-178.6	167.1	-174	158.3	3.3	109.6	G422 L423 V450 L475 S476 F479	G422-R438 WeakPolarHBondContact O-CA 3.4Å; L423-R438 HydrophobicContact CD2-CB 3.99Å; R438-V450 HydrophobicContact CB-CB 4.29Å; R438-V450 HydrophobicContact CB-CG2 4.5Å; R438-V450 HydrophobicContact CG-CB 4.47Å; R438-V450 HydrophobicContact CG-CG2 4.19Å; R438-V450 PolarHBondContact O-N 2.87Å; R438-L475 WeakPolarHBondContact CD-O 3.34Å; R438-L475 PolarHBondContact NH1-O 2.86Å; R438-S476 VanDerWaalsContact NH1-C 3.33Å; R438-S476 PolarHBondContact NH1-O 3.38Å; R438-F479 HydrophobicContact CB-CZ 4.46Å
439	C	89.6	Confident	83.9	Confident	1 Å²	1	57 Å²	57	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.7	172.4	-44.5	0	0	0	0	110.5	H407 C408 S421 G422 Y424 M441 W448	H407-C439 PolarHBondContact O-SG 3.45Å; C408-C439 HydrophobicContact CB-CB 3.52Å; C408-C439 WeakPolarHBondContact CB-SG 3.5Å; C408-C439 WeakPolarHBondContact SG-CB 3.47Å; C408-C439 CovalentContact SG-SG 2.08Å; C408-C439 PolarHBondContact SG-SG 3.45Å; S421-C439 WeakPolarHBondContact CA-O 3.49Å; G422-C439 PolarHBondContact N-O 3.28Å; G422-C439 PolarHBondContact O-N 2.85Å; Y424-C439 HydrophobicContact CD2-CB 3.74Å; Y424-C439 HydrophobicContact CE2-CB 4.26Å; C439-M441 HydrophobicContact CB-CE 3.78Å; C439-M441 HydrophobicContact CB-SD 4.21Å; C439-W448 CarbonylContact C-O 3.56Å; C439-W448 WeakPolarHBondContact CA-O 3.28Å; C439-W448 WeakPolarHBondContact CB-O 3.27Å
440	D	90.4	Very high	84.5	Confident	16 Å²	16	47.2 Å²	47.2	9%	0.086	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.9	171	171.6	-0	0	0	0	108	S421 E442 D443 G446 G447 W448 K608	S421-D440 PolarHBondContact OG-OD1 2.93Å; D440-E442 PolarHBondContact OD1-N 3.33Å; D440-D443 WeakPolarHBondContact OD1-CB 3.43Å; D440-D443 PolarHBondContact OD1-N 3.04Å; D440-D443 VanDerWaalsContact OD1-N 3.12Å; D440-D443 WeakPolarHBondContact OD2-CB 3.43Å; D440-G446 CarbonylContact O-C 3.56Å; D440-G446 WeakPolarHBondContact O-CA 3.39Å; D440-G447 PolarHBondContact O-N 3.47Å; D440-W448 HydrophobicContact CB-CB 4Å; D440-W448 PolarHBondContact N-O 2.95Å; D440-W448 PolarHBondContact O-N 3.47Å; D440-K608 IonicContact OD2-NZ 3Å; D440-K608 PolarHBondContact OD2-NZ 2.77Å
441	M	84.4	Confident	85.4	Confident	4 Å²	4	38 Å²	38	2%	0.02	22%	0.218	C	C	.	.			trans	-104	-9.8	-172.6	-60.2	-60.8	-159.2	0	0	112.5	H407 C408 F416 Y419 S421 Y424 C439 G446	H407-M441 HydrophobicContact CB-CE 4.08Å; H407-M441 WeakPolarHBondContact O-CE 3.38Å; C408-M441 HydrophobicContact CB-CE 3.62Å; C408-M441 HydrophobicContact CB-SD 4.27Å; F416-M441 HydrophobicContact CD1-CE 4.36Å; F416-M441 HydrophobicContact CD1-SD 3.67Å; F416-M441 HydrophobicContact CE1-CE 4.48Å; F416-M441 HydrophobicContact CE1-SD 4.18Å; Y419-M441 WeakPolarHBondContact O-CB 3.41Å; S421-M441 PolarHBondContact OG-N 3.24Å; S421-M441 VanDerWaalsContact OG-N 3.12Å; Y424-M441 HydrophobicContact CD2-CE 4.17Å; Y424-M441 HydrophobicContact CE2-CE 3.91Å; Y424-M441 HydrophobicContact CE2-CG 4.38Å; C439-M441 HydrophobicContact CB-CE 3.78Å; C439-M441 HydrophobicContact CB-SD 4.21Å; M441-G446 VanDerWaalsContact C-CA 3.4Å; M441-G446 WeakPolarHBondContact O-CA 3.31Å
442	E	82.1	Confident	86.2	Confident	135 Å²	135	37.2 Å²	37.2	63%	0.631	21%	0.213	S	C	*	.	S	Bend	trans	-98.2	-34.2	-170.8	-69.7	163.9	-165.6	0	0	111.4	S421 D440 N444	S421-E442 PolarHBondContact N-OE1 3.36Å; D440-E442 PolarHBondContact OD1-N 3.33Å; E442-N444 PolarHBondContact O-N 3.37Å
443	D	74.8	Confident	87.1	Confident	37 Å²	37	32.1 Å²	32.1	20%	0.198	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-75.3	118	-176	-176	5.6	0	0	0	113	D440 G445 G446 W448 R498 K608	D440-D443 WeakPolarHBondContact OD1-CB 3.43Å; D440-D443 PolarHBondContact OD1-N 3.04Å; D440-D443 VanDerWaalsContact OD1-N 3.12Å; D440-D443 WeakPolarHBondContact OD2-CB 3.43Å; D443-G445 PolarHBondContact O-N 3.02Å; D443-G446 PolarHBondContact O-N 2.65Å; D443-W448 PolarHBondContact O-NE1 2.92Å; D443-R498 IonicContact OD1-NH1 3.67Å; D443-R498 PolarHBondContact OD1-NH1 3.42Å; D443-R498 VanDerWaalsContact OD1-NH1 3.1Å; D443-R498 IonicContact OD2-CZ 2.76Å; D443-R498 IonicContact OD2-NH1 3.66Å; D443-R498 PolarHBondContact OD2-NH1 3.16Å; D443-K608 WeakPolarHBondContact OD2-CE 3.41Å; D443-K608 IonicContact OD2-NZ 2.94Å; D443-K608 PolarHBondContact OD2-NZ 3.08Å
444	N	71.1	Confident	88	Confident	111 Å²	111	28.3 Å²	28.3	59%	0.594	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	43.9	54	171.9	-84.6	9.3	0	0	0	114.2	E442 R610	E442-N444 PolarHBondContact O-N 3.37Å; N444-R610 PolarHBondContact O-NH1 3Å
445	G	73.1	Confident	88.4	Confident	35 Å²	35	27.8 Å²	27.8	36%	0.361	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	85.7	8	179.1	0	0	0	0	0	114.6	F416 D443	F416-G445 WeakPolarHBondContact CB-O 3.49Å; F416-G445 WeakPolarHBondContact CD2-O 3.44Å; D443-G445 PolarHBondContact O-N 3.02Å
446	G	83.1	Confident	88.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.			trans	64.6	-157.9	171.5	0	0	0	0	0	114.4	D440 M441 D443 W448 R610	D440-G446 CarbonylContact O-C 3.56Å; D440-G446 WeakPolarHBondContact O-CA 3.39Å; M441-G446 VanDerWaalsContact C-CA 3.4Å; M441-G446 WeakPolarHBondContact O-CA 3.31Å; D443-G446 PolarHBondContact O-N 2.65Å; G446-W448 VanDerWaalsContact C-N 3.3Å; G446-W448 PolarHBondContact O-N 2.88Å; G446-R610 WeakPolarHBondContact O-CD 3.06Å; G446-R610 PolarHBondContact O-NH1 2.73Å
447	G	86.1	Confident	88.4	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.01	15%	0.154	C	C	.	.			trans	77.7	12.3	177.8	0	0	0	0	0	114.4	D440 R610	D440-G447 PolarHBondContact O-N 3.47Å; G447-R610 WeakPolarHBondContact O-CG 3.41Å
448	W	92.7	Very high	88.2	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.5	178.1	-67.1	99	0	0	0	110.6	C439 D440 D443 G446 R498 K608 I609 R610	C439-W448 CarbonylContact C-O 3.56Å; C439-W448 WeakPolarHBondContact CA-O 3.28Å; C439-W448 WeakPolarHBondContact CB-O 3.27Å; D440-W448 HydrophobicContact CB-CB 4Å; D440-W448 PolarHBondContact N-O 2.95Å; D440-W448 PolarHBondContact O-N 3.47Å; D443-W448 PolarHBondContact O-NE1 2.92Å; G446-W448 VanDerWaalsContact C-N 3.3Å; G446-W448 PolarHBondContact O-N 2.88Å; W448-R498 HydrophobicContact CE3-CB 4.44Å; W448-R498 HydrophobicContact CH2-CB 3.82Å; W448-R498 HydrophobicContact CZ2-CB 4.48Å; W448-R498 HydrophobicContact CZ3-CB 3.79Å; W448-K608 HydrophobicContact CB-CB 4.22Å; W448-K608 HydrophobicContact CB-CD 3.9Å; W448-K608 HydrophobicContact CB-CG 4.18Å; W448-K608 HydrophobicContact CD2-CD 4.16Å; W448-K608 HydrophobicContact CD2-CG 3.98Å; W448-K608 HydrophobicContact CE3-CB 4.14Å; W448-K608 HydrophobicContact CE3-CD 4.34Å; W448-K608 HydrophobicContact CE3-CG 3.65Å; W448-K608 HydrophobicContact CG-CD 3.96Å; W448-K608 HydrophobicContact CG-CG 4.22Å; W448-K608 HydrophobicContact CZ3-CG 4.36Å; W448-K608 WeakPolarHBondContact CZ3-O 3.29Å; W448-I609 VanDerWaalsContact CE3-C 3.49Å; W448-R610 HydrophobicContact CD2-CB 3.72Å; W448-R610 HydrophobicContact CE3-CB 3.44Å; W448-R610 VanDerWaalsContact CE3-CB 3.44Å; W448-R610 HydrophobicContact CG-CB 4.39Å; W448-R610 HydrophobicContact CH2-CB 4.03Å; W448-R610 HydrophobicContact CZ2-CB 4.25Å; W448-R610 HydrophobicContact CZ3-CB 3.62Å
449	T	93.8	Very high	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.8	166.3	-53.7	0	0	0	0	108.3	C408 I426 V437 I451 L481 L489 K608 I609	C408-T449 PolarHBondContact SG-OG1 2.95Å; C408-T449 VanDerWaalsContact SG-OG1 3.33Å; I426-T449 HydrophobicContact CD1-CG2 4.47Å; V437-T449 HydrophobicContact CB-CG2 3.99Å; V437-T449 HydrophobicContact CG1-CG2 4.25Å; V437-T449 HydrophobicContact CG2-CG2 4.05Å; T449-I451 PolarHBondContact O-N 3.41Å; T449-L481 HydrophobicContact CG2-CD2 4.38Å; T449-L489 HydrophobicContact CG2-CD1 4.38Å; T449-K608 CarbonylContact O-C 3.54Å; T449-K608 VanDerWaalsContact O-CA 3.23Å; T449-K608 WeakPolarHBondContact O-CA 3.47Å; T449-K608 WeakPolarHBondContact O-CB 3.37Å; T449-I609 PolarHBondContact N-O 3.23Å; T449-I609 PolarHBondContact O-N 3.47Å
450	V	96.5	Very high	88.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123	176.7	-173.4	0	0	0	0	108.6	R438 Q452 Q453 F479 R606 K608	R438-V450 HydrophobicContact CB-CB 4.29Å; R438-V450 HydrophobicContact CB-CG2 4.5Å; R438-V450 HydrophobicContact CG-CB 4.47Å; R438-V450 HydrophobicContact CG-CG2 4.19Å; R438-V450 PolarHBondContact O-N 2.87Å; V450-Q452 WeakPolarHBondContact CG1-O 3.47Å; V450-Q453 HydrophobicContact CG1-CB 4.32Å; V450-F479 HydrophobicContact CB-CZ 3.99Å; V450-F479 HydrophobicContact CG1-CE1 4.1Å; V450-F479 HydrophobicContact CG1-CZ 3.69Å; V450-F479 WeakPolarHBondContact O-CE2 3.46Å; V450-F479 WeakPolarHBondContact O-CZ 2.98Å; V450-R606 HydrophobicContact CG1-CG 3.68Å; V450-K608 HydrophobicContact CB-CB 4.48Å; V450-K608 HydrophobicContact CG2-CB 4.18Å
451	I	98.2	Very high	88.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-22.1	-177.7	63.6	168.8	0	0	0	112.8	T449 L481 I486 F516 M607 I609	T449-I451 PolarHBondContact O-N 3.41Å; I451-L481 HydrophobicContact CB-CB 4.32Å; I451-L481 HydrophobicContact CB-CD2 4.36Å; I451-L481 HydrophobicContact CG2-CD2 3.87Å; I451-L481 WeakPolarHBondContact O-CB 3.37Å; I451-L481 PolarHBondContact O-N 3.4Å; I451-I486 HydrophobicContact CB-CD1 4.06Å; I451-I486 HydrophobicContact CB-CG1 4.09Å; I451-I486 HydrophobicContact CD1-CD1 4.38Å; I451-I486 HydrophobicContact CD1-CG2 4.4Å; I451-I486 HydrophobicContact CG2-CG1 4.15Å; I451-F516 HydrophobicContact CD1-CD1 4.49Å; I451-F516 HydrophobicContact CD1-CE1 3.61Å; I451-F516 HydrophobicContact CD1-CZ 3.87Å; I451-M607 HydrophobicContact CD1-CB 4.2Å; I451-M607 HydrophobicContact CD1-CE 4.48Å; I451-M607 HydrophobicContact CG1-CB 3.74Å; I451-M607 WeakPolarHBondContact CG1-O 3.38Å; I451-M607 PolarHBondContact N-O 3.17Å; I451-I609 HydrophobicContact CD1-CG2 3.85Å; I451-I609 HydrophobicContact CG1-CG2 4.44Å; I451-I609 HydrophobicContact CG2-CD1 3.79Å; I451-I609 HydrophobicContact CG2-CG1 3.78Å; I451-I609 HydrophobicContact CG2-CG2 4.36Å
452	Q	98.3	Very high	89.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	141	175.7	-173	-95.1	17.3	0	0	109.2	V450 R454 F479 W480 L581 N582 T605 R606 M607	V450-Q452 WeakPolarHBondContact CG1-O 3.47Å; Q452-R454 VanDerWaalsContact NE2-CG 3.26Å; Q452-F479 WeakPolarHBondContact CA-O 3.38Å; Q452-W480 HydrophobicContact CB-CE3 3.64Å; Q452-W480 HydrophobicContact CB-CZ3 3.65Å; Q452-W480 HydrophobicContact CG-CE3 3.48Å; Q452-W480 VanDerWaalsContact CG-CE3 3.48Å; Q452-W480 HydrophobicContact CG-CZ3 3.65Å; Q452-L581 PolarHBondContact NE2-O 2.95Å; Q452-N582 WeakPolarHBondContact CG-OD1 3.47Å; Q452-N582 PolarHBondContact NE2-OD1 3.39Å; Q452-T605 PolarHBondContact NE2-OG1 3.14Å; Q452-T605 PolarHBondContact OE1-OG1 3.15Å; Q452-R606 WeakPolarHBondContact O-CA 3.46Å; Q452-M607 HydrophobicContact CB-CB 3.92Å; Q452-M607 HydrophobicContact CB-CG 4.06Å; Q452-M607 HydrophobicContact CB-SD 4.1Å; Q452-M607 PolarHBondContact N-O 3.22Å; Q452-M607 PolarHBondContact O-N 3.04Å
453	Q	97.6	Very high	89.8	Confident	3 Å²	3	35.6 Å²	35.6	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	138.1	169.1	-171.3	170.1	-89.3	0	0	111	V450 I455 T477 N478 F479 T605 R606	V450-Q453 HydrophobicContact CG1-CB 4.32Å; Q453-I455 HydrophobicContact CG-CG2 4.02Å; Q453-T477 WeakPolarHBondContact CG-O 3.25Å; Q453-T477 PolarHBondContact NE2-O 3.46Å; Q453-N478 CarbonylContact O-C 3.5Å; Q453-N478 VanDerWaalsContact O-CA 3.25Å; Q453-N478 WeakPolarHBondContact O-CA 3.39Å; Q453-F479 HydrophobicContact CB-CD1 3.92Å; Q453-F479 HydrophobicContact CB-CE1 3.7Å; Q453-F479 PolarHBondContact N-O 3.38Å; Q453-F479 VanDerWaalsContact N-O 3.11Å; Q453-F479 PolarHBondContact O-N 2.91Å; Q453-T605 CarbonylContact C-O 3.55Å; Q453-T605 WeakPolarHBondContact CA-O 3.41Å; Q453-R606 VanDerWaalsContact OE1-CZ 3.28Å
454	R	96	Very high	90.9	Very high	2 Å²	2	37 Å²	37	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119.4	170.7	-61.6	-75.3	-68.8	-94.1	-16.3	108.9	Q452 F461 N478 N582 G583 F585 M589 Q604 T605	Q452-R454 VanDerWaalsContact NE2-CG 3.26Å; R454-F461 HydrophobicContact CG-CZ 4.25Å; R454-N478 VanDerWaalsContact CA-OD1 3.23Å; R454-N478 WeakPolarHBondContact CA-OD1 3.49Å; R454-N582 VanDerWaalsContact NH1-C 3.34Å; R454-N582 PolarHBondContact NH1-O 3.2Å; R454-G583 PolarHBondContact NH1-O 2.96Å; R454-G583 PolarHBondContact NH2-O 3.12Å; R454-F585 HydrophobicContact CB-CZ 4.39Å; R454-F585 VanDerWaalsContact NE-CE2 3.34Å; R454-M589 HydrophobicContact CB-SD 3.84Å; R454-M589 HydrophobicContact CG-SD 3.97Å; R454-Q604 CarbonylContact O-C 3.47Å; R454-Q604 WeakPolarHBondContact O-CA 3.47Å; R454-Q604 WeakPolarHBondContact O-CB 3.42Å; R454-T605 WeakPolarHBondContact CB-OG1 3.41Å; R454-T605 PolarHBondContact N-O 2.85Å; R454-T605 PolarHBondContact O-N 2.89Å
455	I	92.8	Very high	92.2	Very high	58 Å²	58	32.1 Å²	32.1	30%	0.297	18%	0.177	S	C	.	.	S	Bend	trans	-125.9	-18.4	175.9	62.2	170.3	0	0	0	113.2	Q453 T477 N478	Q453-I455 HydrophobicContact CG-CG2 4.02Å; I455-T477 HydrophobicContact CD1-CG2 4.08Å; I455-N478 PolarHBondContact N-OD1 2.89Å
456	S	88.6	Confident	93.4	Very high	39 Å²	39	33.9 Å²	33.9	27%	0.273	18%	0.181	S	C	.	.	S	Bend	trans	-155.9	164.9	-179	58.3	0	0	0	0	110.6	D458 N478 F585	S456-D458 PolarHBondContact O-N 3.23Å; S456-D458 PolarHBondContact OG-OD2 3.48Å; S456-N478 PolarHBondContact N-OD1 3.39Å; S456-N478 VanDerWaalsContact N-OD1 3.14Å; S456-N478 PolarHBondContact O-ND2 3.21Å; S456-N478 PolarHBondContact O-OD1 3.19Å; S456-N478 PolarHBondContact OG-ND2 2.95Å; S456-F585 WeakPolarHBondContact O-CE2 3.31Å; S456-F585 WeakPolarHBondContact O-CZ 3.38Å
457	N	86.1	Confident	94.1	Very high	86 Å²	86	36.4 Å²	36.4	46%	0.46	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	26.2	179	-164.9	26.2	0	0	0	113.7	F585	N457-F585 VanDerWaalsContact CA-CE2 3.41Å; N457-F585 HydrophobicContact CB-CB 4.37Å; N457-F585 HydrophobicContact CB-CD2 3.51Å; N457-F585 HydrophobicContact CB-CE2 3.85Å; N457-F585 HydrophobicContact CB-CG 3.9Å; N457-F585 WeakPolarHBondContact OD1-CD2 3.31Å
458	D	86.3	Confident	94.7	Very high	100 Å²	100	36.3 Å²	36.3	54%	0.535	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.7	-174.2	65	21.5	0	0	0	114.2	S456 N478	S456-D458 PolarHBondContact O-N 3.23Å; S456-D458 PolarHBondContact OG-OD2 3.48Å; D458-N478 VanDerWaalsContact CG-ND2 3.25Å; D458-N478 PolarHBondContact OD1-ND2 2.84Å; D458-N478 PolarHBondContact OD2-ND2 2.91Å
459	T	89	Confident	95	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.172	21%	0.205	C	C	.	.	S	Bend	trans	-125.3	119.8	-175.4	-58.4	0	0	0	0	108.4	F461 F472 N478	T459-F461 HydrophobicContact CG2-CE2 4.21Å; T459-F461 WeakPolarHBondContact O-CD2 3.35Å; T459-F472 HydrophobicContact CG2-CD2 4.4Å; T459-N478 HydrophobicContact CG2-CB 4.49Å
460	S	92.1	Very high	95.1	Very high	66 Å²	66	45.5 Å²	45.5	46%	0.462	24%	0.236	S	C	.	.			trans	-72.2	132.4	176	178.8	0	0	0	0	111.1	Y462 K463	S460-Y462 WeakPolarHBondContact OG-CB 3.16Å; S460-Y462 PolarHBondContact OG-N 3.31Å; S460-Y462 VanDerWaalsContact OG-N 3.13Å; S460-K463 VanDerWaalsContact O-CE 3.27Å; S460-K463 WeakPolarHBondContact O-CE 3.33Å
461	F	95.9	Very high	95.1	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.026	25%	0.248	C	C	.	.			trans	-99.2	4.6	171.2	-81.7	-118.5	0	0	0	111.9	R454 T459 K463 Y468 F472 N478 W480 E568 N582	R454-F461 HydrophobicContact CG-CZ 4.25Å; T459-F461 HydrophobicContact CG2-CE2 4.21Å; T459-F461 WeakPolarHBondContact O-CD2 3.35Å; F461-K463 PolarHBondContact O-N 2.98Å; F461-Y468 WeakPolarHBondContact O-CE2 3.5Å; F461-Y468 PolarHBondContact O-OH 2.99Å; F461-F472 HydrophobicContact CB-CE2 4.49Å; F461-F472 HydrophobicContact CB-CZ 4.42Å; F461-F472 AromaticContact CD1-CE2 3.85Å; F461-F472 HydrophobicContact CD1-CE2 3.85Å; F461-F472 AromaticContact CD1-CZ 3.72Å; F461-F472 HydrophobicContact CD1-CZ 3.72Å; F461-F472 AromaticContact CD2-CE2 3.91Å; F461-F472 HydrophobicContact CD2-CE2 3.91Å; F461-F472 AromaticContact CE1-CE2 3.95Å; F461-F472 HydrophobicContact CE1-CE2 3.95Å; F461-F472 HydrophobicContact CE1-CZ 4.04Å; F461-F472 AromaticContact CE2-CE2 3.98Å; F461-F472 HydrophobicContact CE2-CE2 3.98Å; F461-F472 AromaticContact CG-CE2 3.82Å; F461-F472 HydrophobicContact CG-CE2 3.82Å; F461-F472 AromaticContact CG-CZ 3.98Å; F461-F472 HydrophobicContact CG-CZ 3.98Å; F461-F472 AromaticContact CZ-CE2 4Å; F461-F472 HydrophobicContact CZ-CE2 4Å; F461-N478 HydrophobicContact CE2-CB 4.38Å; F461-W480 HydrophobicContact CE1-CB 4.16Å; F461-E568 CarbonylContact C-O 3.57Å; F461-N582 WeakPolarHBondContact CB-O 3.43Å; F461-N582 HydrophobicContact CD1-CB 3.87Å
462	Y	96.4	Very high	95.1	Very high	104 Å²	104	48 Å²	48	41%	0.408	25%	0.254	S	S	.	.			trans	-76.2	80.6	167.9	-170	-124.6	0	0	0	109.3	S460 P552 N565 E568	S460-Y462 WeakPolarHBondContact OG-CB 3.16Å; S460-Y462 PolarHBondContact OG-N 3.31Å; S460-Y462 VanDerWaalsContact OG-N 3.13Å; Y462-P552 HydrophobicContact CD2-CB 3.95Å; Y462-P552 HydrophobicContact CD2-CG 3.3Å; Y462-P552 HydrophobicContact CE2-CB 3.34Å; Y462-P552 HydrophobicContact CE2-CG 3.24Å; Y462-P552 HydrophobicContact CG-CG 4.35Å; Y462-N565 PolarHBondContact OH-OD1 3.29Å; Y462-E568 WeakPolarHBondContact CA-O 3.44Å; Y462-E568 HydrophobicContact CD2-CB 3.71Å; Y462-E568 HydrophobicContact CD2-CG 4.2Å; Y462-E568 HydrophobicContact CE2-CB 4.37Å; Y462-E568 HydrophobicContact CE2-CG 4.43Å; Y462-E568 HydrophobicContact CG-CB 4.08Å; Y462-E568 PolarHBondContact N-O 3.07Å
463	K	97.4	Very high	94.8	Very high	67 Å²	67	50.3 Å²	50.3	29%	0.291	28%	0.278	S	S	.	.			trans	-128.9	146.7	-167.9	-67.7	-64.6	-175.3	180	0	110.6	S460 F461 D467 Y468 F472 P552	S460-K463 VanDerWaalsContact O-CE 3.27Å; S460-K463 WeakPolarHBondContact O-CE 3.33Å; F461-K463 PolarHBondContact O-N 2.98Å; K463-D467 HydrophobicContact CB-CB 3.79Å; K463-D467 HydrophobicContact CD-CB 4.21Å; K463-D467 VanDerWaalsContact CD-OD2 3.31Å; K463-D467 WeakPolarHBondContact CD-OD2 3.5Å; K463-D467 HydrophobicContact CG-CB 4.37Å; K463-Y468 HydrophobicContact CB-CD2 3.81Å; K463-Y468 HydrophobicContact CB-CE2 3.68Å; K463-Y468 WeakPolarHBondContact O-CD2 3.48Å; K463-Y468 WeakPolarHBondContact O-CE2 3.32Å; K463-F472 HydrophobicContact CB-CD1 4.27Å; K463-F472 HydrophobicContact CB-CE1 3.82Å; K463-F472 HydrophobicContact CB-CZ 4.1Å; K463-F472 HydrophobicContact CG-CD1 4.01Å; K463-F472 HydrophobicContact CG-CD2 4.15Å; K463-F472 HydrophobicContact CG-CE1 3.75Å; K463-F472 HydrophobicContact CG-CE2 3.91Å; K463-F472 HydrophobicContact CG-CG 4.21Å; K463-F472 HydrophobicContact CG-CZ 3.7Å; K463-P552 WeakPolarHBondContact O-CD 3.37Å
464	N	97.8	Very high	94.4	Very high	66 Å²	66	54.3 Å²	54.3	35%	0.353	30%	0.3	S	S	.	.			trans	-75.7	175.7	-178.1	68.6	28.3	0	0	0	111.8	T466 D467 Y468 D553	N464-T466 VanDerWaalsContact C-N 3.31Å; N464-T466 PolarHBondContact O-N 3.44Å; N464-T466 PolarHBondContact OD1-N 3.24Å; N464-T466 VanDerWaalsContact OD1-N 3.15Å; N464-D467 PolarHBondContact O-N 3.05Å; N464-D467 WeakPolarHBondContact OD1-CB 3.19Å; N464-D467 VanDerWaalsContact OD1-CG 3.24Å; N464-D467 PolarHBondContact OD1-N 2.78Å; N464-D467 PolarHBondContact OD1-OD2 3.27Å; N464-Y468 PolarHBondContact O-N 3.46Å; N464-D553 WeakPolarHBondContact CA-OD1 3.37Å; N464-D553 HydrophobicContact CB-CB 4.38Å; N464-D553 WeakPolarHBondContact CB-OD2 3.38Å
465	W	98.6	Very high	94	Very high	8 Å²	8	55.7 Å²	55.7	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-56.4	-44.7	-179.8	-177.8	-94.1	0	0	0	112.6	Y468 K469 E521 K524 Y525 F549 T551 D553 Q554 H556	W465-Y468 PolarHBondContact O-N 2.9Å; W465-K469 VanDerWaalsContact O-CB 3.31Å; W465-K469 WeakPolarHBondContact O-CB 3.44Å; W465-K469 PolarHBondContact O-N 3.35Å; W465-E521 HydrophobicContact CZ2-CG 4.09Å; W465-E521 PolarHBondContact NE1-OE1 2.88Å; W465-K524 HydrophobicContact CH2-CB 4.23Å; W465-K524 HydrophobicContact CH2-CD 4.15Å; W465-K524 HydrophobicContact CZ2-CD 4.38Å; W465-Y525 AromaticContact CH2-CD2 3.66Å; W465-Y525 HydrophobicContact CH2-CD2 3.66Å; W465-Y525 HydrophobicContact CH2-CE2 4.23Å; W465-Y525 AromaticContact CZ2-CD2 3.49Å; W465-Y525 HydrophobicContact CZ2-CD2 3.49Å; W465-Y525 VanDerWaalsContact CZ2-CD2 3.49Å; W465-Y525 AromaticContact CZ2-CE2 3.58Å; W465-Y525 HydrophobicContact CZ2-CE2 3.58Å; W465-F549 HydrophobicContact CZ3-CB 4.42Å; W465-F549 WeakPolarHBondContact CZ3-O 3.32Å; W465-T551 HydrophobicContact CE3-CG2 4.17Å; W465-T551 PolarHBondContact N-OG1 2.88Å; W465-D553 VanDerWaalsContact N-CG 3.33Å; W465-D553 PolarHBondContact N-OD1 3.48Å; W465-D553 PolarHBondContact N-OD2 3.2Å; W465-D553 VanDerWaalsContact N-OD2 3.09Å; W465-Q554 HydrophobicContact CB-CG 4.13Å; W465-Q554 VanDerWaalsContact CB-NE2 3.33Å; W465-Q554 HydrophobicContact CE3-CB 4.07Å; W465-Q554 HydrophobicContact CE3-CG 4.48Å; W465-Q554 HydrophobicContact CG-CG 4.44Å; W465-H556 AromaticContact CH2-CE1 3.94Å; W465-H556 AromaticContact CZ3-CE1 3.58Å; W465-H556 AromaticContact CZ3-ND1 3.71Å
466	T	98.4	Very high	93.6	Very high	72 Å²	72	56 Å²	56	44%	0.442	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-45.1	-178.9	-59.5	0	0	0	0	111.5	N464 Y468 K469 E470	N464-T466 VanDerWaalsContact C-N 3.31Å; N464-T466 PolarHBondContact O-N 3.44Å; N464-T466 PolarHBondContact OD1-N 3.24Å; N464-T466 VanDerWaalsContact OD1-N 3.15Å; T466-Y468 PolarHBondContact O-N 2.88Å; T466-K469 WeakPolarHBondContact O-CB 3.29Å; T466-K469 PolarHBondContact O-N 3.17Å; T466-E470 WeakPolarHBondContact O-CG 3.39Å; T466-E470 PolarHBondContact O-N 3.47Å
467	D	98.4	Very high	93.7	Very high	53 Å²	53	56 Å²	56	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-45.4	176.3	-70.4	-22.9	0	0	0	110.7	K463 N464 K469 E470 G471 F472	K463-D467 HydrophobicContact CB-CB 3.79Å; K463-D467 HydrophobicContact CD-CB 4.21Å; K463-D467 VanDerWaalsContact CD-OD2 3.31Å; K463-D467 WeakPolarHBondContact CD-OD2 3.5Å; K463-D467 HydrophobicContact CG-CB 4.37Å; N464-D467 PolarHBondContact O-N 3.05Å; N464-D467 WeakPolarHBondContact OD1-CB 3.19Å; N464-D467 VanDerWaalsContact OD1-CG 3.24Å; N464-D467 PolarHBondContact OD1-N 2.78Å; N464-D467 PolarHBondContact OD1-OD2 3.27Å; D467-K469 VanDerWaalsContact C-N 3.32Å; D467-K469 PolarHBondContact O-N 2.93Å; D467-E470 PolarHBondContact O-N 3.26Å; D467-G471 CarbonylContact O-C 3.31Å; D467-G471 WeakPolarHBondContact O-CA 3.13Å; D467-G471 PolarHBondContact O-N 2.83Å; D467-F472 HydrophobicContact CB-CD1 4.21Å; D467-F472 WeakPolarHBondContact O-CD1 3.17Å
468	Y	98.7	Very high	94.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-31.5	177.1	-94.1	-74.8	0	0	0	113.5	F461 K463 N464 W465 T466 F472 W480 G482 N483 F549 T551 G570	F461-Y468 WeakPolarHBondContact O-CE2 3.5Å; F461-Y468 PolarHBondContact O-OH 2.99Å; K463-Y468 HydrophobicContact CB-CD2 3.81Å; K463-Y468 HydrophobicContact CB-CE2 3.68Å; K463-Y468 WeakPolarHBondContact O-CD2 3.48Å; K463-Y468 WeakPolarHBondContact O-CE2 3.32Å; N464-Y468 PolarHBondContact O-N 3.46Å; W465-Y468 PolarHBondContact O-N 2.9Å; T466-Y468 PolarHBondContact O-N 2.88Å; Y468-F472 AromaticContact CD1-CE1 3.81Å; Y468-F472 HydrophobicContact CD1-CE1 3.81Å; Y468-F472 HydrophobicContact CD1-CZ 4.37Å; Y468-F472 HydrophobicContact CD2-CE1 4.12Å; Y468-F472 AromaticContact CE1-CE1 3.78Å; Y468-F472 HydrophobicContact CE1-CE1 3.78Å; Y468-F472 AromaticContact CE1-CZ 3.87Å; Y468-F472 HydrophobicContact CE1-CZ 3.87Å; Y468-F472 HydrophobicContact CE2-CE1 4.11Å; Y468-F472 HydrophobicContact CE2-CZ 4.26Å; Y468-F472 AromaticContact CG-CE1 3.98Å; Y468-F472 HydrophobicContact CG-CE1 3.98Å; Y468-F472 AromaticContact CZ-CE1 3.94Å; Y468-F472 AromaticContact CZ-CZ 3.81Å; Y468-W480 AromaticContact CD1-CD1 3.57Å; Y468-W480 HydrophobicContact CD1-CD2 4.29Å; Y468-W480 AromaticContact CD1-CG 3.97Å; Y468-W480 HydrophobicContact CD1-CG 3.97Å; Y468-W480 AromaticContact CD1-NE1 3.67Å; Y468-W480 HydrophobicContact CE1-CD2 4.19Å; Y468-W480 HydrophobicContact CE1-CG 4.04Å; Y468-G482 CarbonylContact O-C 3.53Å; Y468-G482 WeakPolarHBondContact O-CA 3.21Å; Y468-N483 PolarHBondContact O-N 3.42Å; Y468-F549 AromaticContact CD1-CE1 3.55Å; Y468-F549 HydrophobicContact CD1-CE1 3.55Å; Y468-F549 AromaticContact CD1-CZ 3.55Å; Y468-F549 HydrophobicContact CD1-CZ 3.55Å; Y468-F549 HydrophobicContact CD2-CE1 4.27Å; Y468-F549 HydrophobicContact CE1-CE1 4.04Å; Y468-F549 AromaticContact CE1-CZ 3.73Å; Y468-F549 HydrophobicContact CE1-CZ 3.73Å; Y468-F549 AromaticContact CG-CE1 3.68Å; Y468-F549 HydrophobicContact CG-CE1 3.68Å; Y468-F549 HydrophobicContact CG-CZ 4.17Å; Y468-T551 HydrophobicContact CD2-CG2 3.53Å; Y468-T551 HydrophobicContact CE2-CG2 4.25Å; Y468-T551 HydrophobicContact CG-CG2 4Å; Y468-G570 VanDerWaalsContact CE2-N 3.32Å; Y468-G570 VanDerWaalsContact CZ-CA 3.47Å; Y468-G570 VanDerWaalsContact CZ-N 3.27Å; Y468-G570 PolarHBondContact OH-N 3.49Å; Y468-G570 PolarHBondContact OH-O 3.38Å
469	K	98.4	Very high	94.6	Very high	58 Å²	58	47.1 Å²	47.1	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-50.6	174.3	166.6	173.6	179.7	177.8	0	111.7	W465 T466 D467 G482 N483 E484 E521 Y525	W465-K469 VanDerWaalsContact O-CB 3.31Å; W465-K469 WeakPolarHBondContact O-CB 3.44Å; W465-K469 PolarHBondContact O-N 3.35Å; T466-K469 WeakPolarHBondContact O-CB 3.29Å; T466-K469 PolarHBondContact O-N 3.17Å; D467-K469 VanDerWaalsContact C-N 3.32Å; D467-K469 PolarHBondContact O-N 2.93Å; K469-G482 CarbonylContact O-C 3.55Å; K469-G482 WeakPolarHBondContact O-CA 3.44Å; K469-N483 PolarHBondContact O-N 2.89Å; K469-E484 HydrophobicContact CG-CB 4.22Å; K469-E484 PolarHBondContact O-N 2.78Å; K469-E484 VanDerWaalsContact O-N 3.11Å; K469-E521 WeakPolarHBondContact CD-OE1 3.48Å; K469-E521 WeakPolarHBondContact CE-OE2 3.38Å; K469-E521 VanDerWaalsContact NZ-CD 3.25Å; K469-E521 IonicContact NZ-OE1 2.78Å; K469-E521 PolarHBondContact NZ-OE1 3.37Å; K469-E521 IonicContact NZ-OE2 3.17Å; K469-E521 PolarHBondContact NZ-OE2 3.39Å; K469-Y525 HydrophobicContact CB-CE2 4.39Å; K469-Y525 WeakPolarHBondContact CG-OH 3.46Å
470	E	95.9	Very high	95	Very high	139 Å²	139	45.9 Å²	45.9	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-79.4	-27.6	-175.4	-66.2	-177	174.8	0	0	112.8	T466 D467	T466-E470 WeakPolarHBondContact O-CG 3.39Å; T466-E470 PolarHBondContact O-N 3.47Å; D467-E470 PolarHBondContact O-N 3.26Å
471	G	96.6	Very high	95.3	Very high	25 Å²	25	43.3 Å²	43.3	26%	0.258	24%	0.238	S	C	.	.			trans	92.6	155.7	-173.6	0	0	0	0	0	112.1	D467 W480 G482	D467-G471 CarbonylContact O-C 3.31Å; D467-G471 WeakPolarHBondContact O-CA 3.13Å; D467-G471 PolarHBondContact O-N 2.83Å; G471-W480 CarbonylContact C-O 3.25Å; G471-W480 WeakPolarHBondContact CA-O 3.48Å; G471-G482 VanDerWaalsContact CA-CA 3.4Å
472	F	97.5	Very high	95.4	Very high	27 Å²	27	43 Å²	43	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	166.1	-176.8	59.7	-95.3	0	0	0	111.9	T459 F461 K463 D467 Y468 F479 W480	T459-F472 HydrophobicContact CG2-CD2 4.4Å; F461-F472 HydrophobicContact CB-CE2 4.49Å; F461-F472 HydrophobicContact CB-CZ 4.42Å; F461-F472 AromaticContact CD1-CE2 3.85Å; F461-F472 HydrophobicContact CD1-CE2 3.85Å; F461-F472 AromaticContact CD1-CZ 3.72Å; F461-F472 HydrophobicContact CD1-CZ 3.72Å; F461-F472 AromaticContact CD2-CE2 3.91Å; F461-F472 HydrophobicContact CD2-CE2 3.91Å; F461-F472 AromaticContact CE1-CE2 3.95Å; F461-F472 HydrophobicContact CE1-CE2 3.95Å; F461-F472 HydrophobicContact CE1-CZ 4.04Å; F461-F472 AromaticContact CE2-CE2 3.98Å; F461-F472 HydrophobicContact CE2-CE2 3.98Å; F461-F472 AromaticContact CG-CE2 3.82Å; F461-F472 HydrophobicContact CG-CE2 3.82Å; F461-F472 AromaticContact CG-CZ 3.98Å; F461-F472 HydrophobicContact CG-CZ 3.98Å; F461-F472 AromaticContact CZ-CE2 4Å; F461-F472 HydrophobicContact CZ-CE2 4Å; K463-F472 HydrophobicContact CB-CD1 4.27Å; K463-F472 HydrophobicContact CB-CE1 3.82Å; K463-F472 HydrophobicContact CB-CZ 4.1Å; K463-F472 HydrophobicContact CG-CD1 4.01Å; K463-F472 HydrophobicContact CG-CD2 4.15Å; K463-F472 HydrophobicContact CG-CE1 3.75Å; K463-F472 HydrophobicContact CG-CE2 3.91Å; K463-F472 HydrophobicContact CG-CG 4.21Å; K463-F472 HydrophobicContact CG-CZ 3.7Å; D467-F472 HydrophobicContact CB-CD1 4.21Å; D467-F472 WeakPolarHBondContact O-CD1 3.17Å; Y468-F472 AromaticContact CD1-CE1 3.81Å; Y468-F472 HydrophobicContact CD1-CE1 3.81Å; Y468-F472 HydrophobicContact CD1-CZ 4.37Å; Y468-F472 HydrophobicContact CD2-CE1 4.12Å; Y468-F472 AromaticContact CE1-CE1 3.78Å; Y468-F472 HydrophobicContact CE1-CE1 3.78Å; Y468-F472 AromaticContact CE1-CZ 3.87Å; Y468-F472 HydrophobicContact CE1-CZ 3.87Å; Y468-F472 HydrophobicContact CE2-CE1 4.11Å; Y468-F472 HydrophobicContact CE2-CZ 4.26Å; Y468-F472 AromaticContact CG-CE1 3.98Å; Y468-F472 HydrophobicContact CG-CE1 3.98Å; Y468-F472 AromaticContact CZ-CE1 3.94Å; Y468-F472 AromaticContact CZ-CZ 3.81Å; F472-F479 VanDerWaalsContact O-CA 3.23Å; F472-F479 WeakPolarHBondContact O-CA 3.45Å; F472-F479 VanDerWaalsContact O-CB 3.28Å; F472-F479 WeakPolarHBondContact O-CB 3.24Å; F472-W480 HydrophobicContact CD1-CB 4.26Å; F472-W480 HydrophobicContact CE1-CB 3.81Å; F472-W480 HydrophobicContact CE1-CG 4.37Å; F472-W480 HydrophobicContact CE2-CB 4.22Å; F472-W480 HydrophobicContact CZ-CB 3.79Å; F472-W480 PolarHBondContact N-O 3.39Å; F472-W480 PolarHBondContact O-N 2.86Å
473	G	93.1	Very high	95.5	Very high	50 Å²	50	38.1 Å²	38.1	52%	0.515	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	94.9	-167.1	176.7	0	0	0	0	0	113.5	N478	G473-N478 CarbonylContact C-O 3.59Å; G473-N478 VanDerWaalsContact CA-O 3.28Å; G473-N478 WeakPolarHBondContact CA-O 3.48Å
474	N	88.7	Confident	95.4	Very high	86 Å²	86	37.8 Å²	37.8	46%	0.46	22%	0.217	S	C	.	.			trans	-112	119.7	-178.8	-177.9	-24.4	0	0	0	109.7	S476 T477 N478	N474-S476 PolarHBondContact O-N 3.46Å; N474-S476 VanDerWaalsContact OD1-CB 3.28Å; N474-S476 WeakPolarHBondContact OD1-CB 3.46Å; N474-S476 PolarHBondContact OD1-N 3.15Å; N474-S476 PolarHBondContact OD1-OG 2.99Å; N474-T477 CarbonylContact O-C 3.5Å; N474-T477 PolarHBondContact O-N 3.01Å; N474-N478 PolarHBondContact N-O 3.46Å; N474-N478 PolarHBondContact O-N 2.89Å
475	L	87	Confident	95.3	Very high	31 Å²	31	35.4 Å²	35.4	16%	0.162	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21	-179.8	-64.6	174.4	0	0	0	113.5	L423 L436 R438 F479	L423-L475 HydrophobicContact CD2-CB 3.6Å; L423-L475 HydrophobicContact CD2-CD1 4.07Å; L423-L475 HydrophobicContact CD2-CG 4.48Å; L436-L475 HydrophobicContact CB-CD1 4.21Å; L436-L475 HydrophobicContact CD2-CD1 4.07Å; L436-L475 HydrophobicContact CG-CD1 3.88Å; L436-L475 VanDerWaalsContact O-CD1 3.31Å; L436-L475 WeakPolarHBondContact O-CD1 3.43Å; R438-L475 WeakPolarHBondContact CD-O 3.34Å; R438-L475 PolarHBondContact NH1-O 2.86Å; L475-F479 HydrophobicContact CD2-CD1 4.27Å; L475-F479 HydrophobicContact CD2-CD2 3.58Å; L475-F479 HydrophobicContact CD2-CE1 4.27Å; L475-F479 HydrophobicContact CD2-CE2 3.59Å; L475-F479 HydrophobicContact CD2-CG 3.92Å; L475-F479 HydrophobicContact CD2-CZ 3.93Å
476	S	85.5	Confident	95.2	Very high	64 Å²	64	35 Å²	35	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-25.5	176.4	-54.3	0	0	0	0	113.4	R438 N474	R438-S476 VanDerWaalsContact NH1-C 3.33Å; R438-S476 PolarHBondContact NH1-O 3.38Å; N474-S476 PolarHBondContact O-N 3.46Å; N474-S476 VanDerWaalsContact OD1-CB 3.28Å; N474-S476 WeakPolarHBondContact OD1-CB 3.46Å; N474-S476 PolarHBondContact OD1-N 3.15Å; N474-S476 PolarHBondContact OD1-OG 2.99Å
477	T	89.6	Confident	95.1	Very high	39 Å²	39	33 Å²	33	24%	0.239	19%	0.189	C	C	.	.	S	Bend	trans	-126.2	-93.2	-173.2	60.4	0	0	0	0	112.3	Q453 I455 N474	Q453-T477 WeakPolarHBondContact CG-O 3.25Å; Q453-T477 PolarHBondContact NE2-O 3.46Å; I455-T477 HydrophobicContact CD1-CG2 4.08Å; N474-T477 CarbonylContact O-C 3.5Å; N474-T477 PolarHBondContact O-N 3.01Å
478	N	93.8	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-117.1	121.6	-174.2	-58	-79	0	0	0	109.6	Q453 R454 I455 S456 D458 T459 F461 G473 N474	Q453-N478 CarbonylContact O-C 3.5Å; Q453-N478 VanDerWaalsContact O-CA 3.25Å; Q453-N478 WeakPolarHBondContact O-CA 3.39Å; R454-N478 VanDerWaalsContact CA-OD1 3.23Å; R454-N478 WeakPolarHBondContact CA-OD1 3.49Å; I455-N478 PolarHBondContact N-OD1 2.89Å; S456-N478 PolarHBondContact N-OD1 3.39Å; S456-N478 VanDerWaalsContact N-OD1 3.14Å; S456-N478 PolarHBondContact O-ND2 3.21Å; S456-N478 PolarHBondContact O-OD1 3.19Å; S456-N478 PolarHBondContact OG-ND2 2.95Å; D458-N478 VanDerWaalsContact CG-ND2 3.25Å; D458-N478 PolarHBondContact OD1-ND2 2.84Å; D458-N478 PolarHBondContact OD2-ND2 2.91Å; T459-N478 HydrophobicContact CG2-CB 4.49Å; F461-N478 HydrophobicContact CE2-CB 4.38Å; G473-N478 CarbonylContact C-O 3.59Å; G473-N478 VanDerWaalsContact CA-O 3.28Å; G473-N478 WeakPolarHBondContact CA-O 3.48Å; N474-N478 PolarHBondContact N-O 3.46Å; N474-N478 PolarHBondContact O-N 2.89Å
479	F	97	Very high	94.7	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	160.9	-177.8	75.5	-86.4	0	0	0	113.7	R438 V450 Q452 Q453 F472 L475 L481	R438-F479 HydrophobicContact CB-CZ 4.46Å; V450-F479 HydrophobicContact CB-CZ 3.99Å; V450-F479 HydrophobicContact CG1-CE1 4.1Å; V450-F479 HydrophobicContact CG1-CZ 3.69Å; V450-F479 WeakPolarHBondContact O-CE2 3.46Å; V450-F479 WeakPolarHBondContact O-CZ 2.98Å; Q452-F479 WeakPolarHBondContact CA-O 3.38Å; Q453-F479 HydrophobicContact CB-CD1 3.92Å; Q453-F479 HydrophobicContact CB-CE1 3.7Å; Q453-F479 PolarHBondContact N-O 3.38Å; Q453-F479 VanDerWaalsContact N-O 3.11Å; Q453-F479 PolarHBondContact O-N 2.91Å; F472-F479 VanDerWaalsContact O-CA 3.23Å; F472-F479 WeakPolarHBondContact O-CA 3.45Å; F472-F479 VanDerWaalsContact O-CB 3.28Å; F472-F479 WeakPolarHBondContact O-CB 3.24Å; L475-F479 HydrophobicContact CD2-CD1 4.27Å; L475-F479 HydrophobicContact CD2-CD2 3.58Å; L475-F479 HydrophobicContact CD2-CE1 4.27Å; L475-F479 HydrophobicContact CD2-CE2 3.59Å; L475-F479 HydrophobicContact CD2-CG 3.92Å; L475-F479 HydrophobicContact CD2-CZ 3.93Å; F479-L481 HydrophobicContact CD2-CB 4.5Å; F479-L481 HydrophobicContact CE2-CB 4.19Å
480	W	98.5	Very high	94.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.8	162.8	-175.1	-103.9	0	0	0	108.3	Q452 F461 Y468 G471 F472 G482 N483 I486 F549 W571 W572 N582 M607	Q452-W480 HydrophobicContact CB-CE3 3.64Å; Q452-W480 HydrophobicContact CB-CZ3 3.65Å; Q452-W480 HydrophobicContact CG-CE3 3.48Å; Q452-W480 VanDerWaalsContact CG-CE3 3.48Å; Q452-W480 HydrophobicContact CG-CZ3 3.65Å; F461-W480 HydrophobicContact CE1-CB 4.16Å; Y468-W480 AromaticContact CD1-CD1 3.57Å; Y468-W480 HydrophobicContact CD1-CD2 4.29Å; Y468-W480 AromaticContact CD1-CG 3.97Å; Y468-W480 HydrophobicContact CD1-CG 3.97Å; Y468-W480 AromaticContact CD1-NE1 3.67Å; Y468-W480 HydrophobicContact CE1-CD2 4.19Å; Y468-W480 HydrophobicContact CE1-CG 4.04Å; G471-W480 CarbonylContact C-O 3.25Å; G471-W480 WeakPolarHBondContact CA-O 3.48Å; F472-W480 HydrophobicContact CD1-CB 4.26Å; F472-W480 HydrophobicContact CE1-CB 3.81Å; F472-W480 HydrophobicContact CE1-CG 4.37Å; F472-W480 HydrophobicContact CE2-CB 4.22Å; F472-W480 HydrophobicContact CZ-CB 3.79Å; F472-W480 PolarHBondContact N-O 3.39Å; F472-W480 PolarHBondContact O-N 2.86Å; W480-G482 PolarHBondContact O-N 3.13Å; W480-N483 VanDerWaalsContact CE2-OD1 3.31Å; W480-N483 VanDerWaalsContact CZ2-OD1 3.26Å; W480-N483 WeakPolarHBondContact CZ2-OD1 3.48Å; W480-N483 PolarHBondContact NE1-OD1 3.1Å; W480-I486 HydrophobicContact CH2-CD1 4.46Å; W480-I486 HydrophobicContact CZ2-CD1 3.79Å; W480-F549 HydrophobicContact CH2-CE2 4.47Å; W480-F549 HydrophobicContact CZ2-CE2 4.1Å; W480-F549 HydrophobicContact CZ2-CZ 4.25Å; W480-W571 HydrophobicContact CH2-CZ3 4.3Å; W480-W571 HydrophobicContact CZ3-CZ3 4.2Å; W480-W572 AromaticContact CH2-CH2 3.82Å; W480-W572 HydrophobicContact CH2-CH2 3.82Å; W480-W572 HydrophobicContact CH2-CZ3 4.19Å; W480-W572 HydrophobicContact CZ2-CH2 4.15Å; W480-N582 WeakPolarHBondContact CZ3-ND2 3.42Å; W480-M607 HydrophobicContact CZ3-SD 4.35Å
481	L	97.5	Very high	94.3	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.058	16%	0.155	C	C	.	.			trans	-65.8	-21.9	-171.7	-179.2	60.2	0	0	0	113.7	V435 V437 T449 I451 F479 V485 I486 L489	V435-L481 HydrophobicContact CG1-CD1 4.44Å; V437-L481 HydrophobicContact CG1-CD1 3.77Å; V437-L481 HydrophobicContact CG1-CD2 4.25Å; T449-L481 HydrophobicContact CG2-CD2 4.38Å; I451-L481 HydrophobicContact CB-CB 4.32Å; I451-L481 HydrophobicContact CB-CD2 4.36Å; I451-L481 HydrophobicContact CG2-CD2 3.87Å; I451-L481 WeakPolarHBondContact O-CB 3.37Å; I451-L481 PolarHBondContact O-N 3.4Å; F479-L481 HydrophobicContact CD2-CB 4.5Å; F479-L481 HydrophobicContact CE2-CB 4.19Å; L481-V485 HydrophobicContact CD1-CG1 4.35Å; L481-V485 HydrophobicContact CD2-CG1 3.93Å; L481-V485 HydrophobicContact CG-CB 4.24Å; L481-V485 HydrophobicContact CG-CG1 3.95Å; L481-I486 HydrophobicContact CB-CD1 4.3Å; L481-I486 HydrophobicContact CB-CG1 4.19Å; L481-I486 HydrophobicContact CD2-CG1 4.28Å; L481-I486 HydrophobicContact CG-CG1 4.46Å; L481-L489 HydrophobicContact CD2-CD1 4.1Å
482	G	98.1	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.			trans	105.5	127.5	-176.3	0	0	0	0	0	111.5	Y468 K469 G471 W480 E484 V485 I486	Y468-G482 CarbonylContact O-C 3.53Å; Y468-G482 WeakPolarHBondContact O-CA 3.21Å; K469-G482 CarbonylContact O-C 3.55Å; K469-G482 WeakPolarHBondContact O-CA 3.44Å; G471-G482 VanDerWaalsContact CA-CA 3.4Å; W480-G482 PolarHBondContact O-N 3.13Å; G482-E484 PolarHBondContact O-N 3.37Å; G482-V485 PolarHBondContact O-N 3.18Å; G482-I486 VanDerWaalsContact O-CG1 3.25Å; G482-I486 WeakPolarHBondContact O-CG1 3.45Å; G482-I486 PolarHBondContact O-N 2.87Å
483	N	98.5	Very high	93.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-33.2	-176.5	-68.4	-19.1	0	0	0	111.9	Y468 K469 W480 V485 I486 H487 I518 Y525 F549	Y468-N483 PolarHBondContact O-N 3.42Å; K469-N483 PolarHBondContact O-N 2.89Å; W480-N483 VanDerWaalsContact CE2-OD1 3.31Å; W480-N483 VanDerWaalsContact CZ2-OD1 3.26Å; W480-N483 WeakPolarHBondContact CZ2-OD1 3.48Å; W480-N483 PolarHBondContact NE1-OD1 3.1Å; N483-V485 PolarHBondContact O-N 2.9Å; N483-I486 PolarHBondContact O-N 2.87Å; N483-H487 VanDerWaalsContact O-CB 3.25Å; N483-H487 WeakPolarHBondContact O-CB 3.49Å; N483-H487 PolarHBondContact O-N 3.02Å; N483-I518 HydrophobicContact CB-CD1 4.24Å; N483-I518 WeakPolarHBondContact O-CD1 3.48Å; N483-Y525 HydrophobicContact CB-CD1 3.68Å; N483-Y525 HydrophobicContact CB-CD2 3.63Å; N483-Y525 HydrophobicContact CB-CE1 3.79Å; N483-Y525 HydrophobicContact CB-CE2 3.72Å; N483-Y525 HydrophobicContact CB-CG 3.61Å; N483-F549 WeakPolarHBondContact ND2-CD1 3.33Å
484	E	96.5	Very high	93.6	Very high	60 Å²	60	31.4 Å²	31.4	28%	0.28	16%	0.159	S	C	.	.	H	α-helix	trans	-65.7	-42.9	177.6	-168.3	57.9	-153.3	0	0	111.6	K469 G482 H487 L488 Y525	K469-E484 HydrophobicContact CG-CB 4.22Å; K469-E484 PolarHBondContact O-N 2.78Å; K469-E484 VanDerWaalsContact O-N 3.11Å; G482-E484 PolarHBondContact O-N 3.37Å; E484-H487 PolarHBondContact O-N 3Å; E484-L488 HydrophobicContact CG-CD1 4.39Å; E484-L488 VanDerWaalsContact O-CG 3.26Å; E484-L488 WeakPolarHBondContact O-CG 3.23Å; E484-L488 PolarHBondContact O-N 2.78Å; E484-Y525 PolarHBondContact OE2-OH 3.04Å
485	V	94.5	Very high	93.9	Very high	17 Å²	17	27.4 Å²	27.4	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-44.3	177.7	-179.8	0	0	0	0	110.6	V435 L481 G482 N483 H487 L488 L489	V435-V485 HydrophobicContact CB-CG1 4.47Å; V435-V485 HydrophobicContact CG1-CG1 4.22Å; V435-V485 HydrophobicContact CG1-CG2 4.24Å; V435-V485 HydrophobicContact CG2-CG1 4.34Å; V435-V485 HydrophobicContact CG2-CG2 4.05Å; L481-V485 HydrophobicContact CD1-CG1 4.35Å; L481-V485 HydrophobicContact CD2-CG1 3.93Å; L481-V485 HydrophobicContact CG-CB 4.24Å; L481-V485 HydrophobicContact CG-CG1 3.95Å; G482-V485 PolarHBondContact O-N 3.18Å; N483-V485 PolarHBondContact O-N 2.9Å; V485-H487 VanDerWaalsContact C-N 3.3Å; V485-H487 PolarHBondContact O-N 3.26Å; V485-L488 PolarHBondContact O-N 2.68Å; V485-L489 HydrophobicContact CG1-CD1 4.05Å; V485-L489 HydrophobicContact CG1-CG 4.39Å; V485-L489 WeakPolarHBondContact O-CB 3.44Å; V485-L489 VanDerWaalsContact O-CG 3.26Å; V485-L489 WeakPolarHBondContact O-CG 3.33Å; V485-L489 PolarHBondContact O-N 3.36Å
486	I	97.4	Very high	94.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-39.4	178.4	-62.5	164	0	0	0	110.6	I451 W480 L481 G482 N483 L489 T490 F516 I518	I451-I486 HydrophobicContact CB-CD1 4.06Å; I451-I486 HydrophobicContact CB-CG1 4.09Å; I451-I486 HydrophobicContact CD1-CD1 4.38Å; I451-I486 HydrophobicContact CD1-CG2 4.4Å; I451-I486 HydrophobicContact CG2-CG1 4.15Å; W480-I486 HydrophobicContact CH2-CD1 4.46Å; W480-I486 HydrophobicContact CZ2-CD1 3.79Å; L481-I486 HydrophobicContact CB-CD1 4.3Å; L481-I486 HydrophobicContact CB-CG1 4.19Å; L481-I486 HydrophobicContact CD2-CG1 4.28Å; L481-I486 HydrophobicContact CG-CG1 4.46Å; G482-I486 VanDerWaalsContact O-CG1 3.25Å; G482-I486 WeakPolarHBondContact O-CG1 3.45Å; G482-I486 PolarHBondContact O-N 2.87Å; N483-I486 PolarHBondContact O-N 2.87Å; I486-L489 PolarHBondContact O-N 3.33Å; I486-T490 HydrophobicContact CG2-CG2 4.23Å; I486-T490 WeakPolarHBondContact O-CB 3.44Å; I486-T490 VanDerWaalsContact O-CG2 3.31Å; I486-T490 WeakPolarHBondContact O-CG2 3.48Å; I486-T490 PolarHBondContact O-N 2.83Å; I486-T490 PolarHBondContact O-OG1 3.03Å; I486-F516 HydrophobicContact CG2-CE1 3.73Å; I486-F516 HydrophobicContact CG2-CZ 4.27Å; I486-I518 HydrophobicContact CB-CD1 3.66Å; I486-I518 HydrophobicContact CB-CG1 4.43Å; I486-I518 HydrophobicContact CG2-CD1 3.53Å; I486-I518 HydrophobicContact CG2-CG1 3.95Å; I486-I518 HydrophobicContact CG2-CG2 4.45Å
487	H	97	Very high	94.8	Very high	29 Å²	29	24.2 Å²	24.2	13%	0.134	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-53.8	173.9	173.3	66.9	0	0	0	111.3	N483 E484 V485 L489 T490 V491 I518 G519 S520 Y525	N483-H487 VanDerWaalsContact O-CB 3.25Å; N483-H487 WeakPolarHBondContact O-CB 3.49Å; N483-H487 PolarHBondContact O-N 3.02Å; E484-H487 PolarHBondContact O-N 3Å; V485-H487 VanDerWaalsContact C-N 3.3Å; V485-H487 PolarHBondContact O-N 3.26Å; H487-L489 PolarHBondContact O-N 3.38Å; H487-T490 PolarHBondContact O-N 2.88Å; H487-T490 PolarHBondContact O-OG1 3.36Å; H487-V491 VanDerWaalsContact CE1-CG2 3.4Å; H487-V491 WeakPolarHBondContact CE1-CG2 3.2Å; H487-V491 WeakPolarHBondContact ND1-CG2 3.45Å; H487-V491 WeakPolarHBondContact O-CB 3.46Å; H487-V491 VanDerWaalsContact O-CG2 3.27Å; H487-V491 WeakPolarHBondContact O-CG2 3.46Å; H487-V491 PolarHBondContact O-N 3.35Å; H487-I518 HydrophobicContact CB-CD1 4.24Å; H487-I518 HydrophobicContact CB-CG1 3.96Å; H487-I518 PolarHBondContact ND1-O 3.45Å; H487-G519 PolarHBondContact ND1-O 3.36Å; H487-S520 WeakPolarHBondContact CE1-CA 3.21Å; H487-S520 PolarHBondContact CE1-N 2.98Å; H487-S520 PolarHBondContact ND1-N 2.93Å; H487-Y525 HydrophobicContact CB-CD1 4.44Å; H487-Y525 HydrophobicContact CB-CE1 4.36Å
488	L	93.9	Very high	95.2	Very high	33 Å²	33	22.8 Å²	22.8	17%	0.173	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-34.1	-179.4	-69.5	172.3	0	0	0	112.6	P428 R430 E484 V485	P428-L488 HydrophobicContact CB-CB 3.89Å; P428-L488 HydrophobicContact CG-CB 4.49Å; R430-L488 HydrophobicContact CB-CD2 4.18Å; E484-L488 HydrophobicContact CG-CD1 4.39Å; E484-L488 VanDerWaalsContact O-CG 3.26Å; E484-L488 WeakPolarHBondContact O-CG 3.23Å; E484-L488 PolarHBondContact O-N 2.78Å; V485-L488 PolarHBondContact O-N 2.68Å
489	L	93	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-52.3	174.3	-72.8	176.1	0	0	0	111.9	L409 I426 P428 T449 L481 V485 I486 H487 V491 Q492 Y495 I609	L409-L489 HydrophobicContact CD1-CD2 4.34Å; L409-L489 HydrophobicContact CD2-CD2 3.71Å; I426-L489 HydrophobicContact CD1-CD1 4.09Å; I426-L489 HydrophobicContact CD1-CD2 3.84Å; P428-L489 HydrophobicContact CB-CD2 4.15Å; P428-L489 HydrophobicContact CG-CD2 3.94Å; P428-L489 HydrophobicContact CG-CG 4.31Å; T449-L489 HydrophobicContact CG2-CD1 4.38Å; L481-L489 HydrophobicContact CD2-CD1 4.1Å; V485-L489 HydrophobicContact CG1-CD1 4.05Å; V485-L489 HydrophobicContact CG1-CG 4.39Å; V485-L489 WeakPolarHBondContact O-CB 3.44Å; V485-L489 VanDerWaalsContact O-CG 3.26Å; V485-L489 WeakPolarHBondContact O-CG 3.33Å; V485-L489 PolarHBondContact O-N 3.36Å; I486-L489 PolarHBondContact O-N 3.33Å; H487-L489 PolarHBondContact O-N 3.38Å; L489-V491 VanDerWaalsContact C-N 3.33Å; L489-V491 PolarHBondContact O-N 3.27Å; L489-Q492 WeakPolarHBondContact O-CG 3.5Å; L489-Q492 PolarHBondContact O-N 2.82Å; L489-Q492 PolarHBondContact O-NE2 3.18Å; L489-Y495 WeakPolarHBondContact O-CD2 3.48Å; L489-Y495 WeakPolarHBondContact O-CE2 3.36Å; L489-I609 HydrophobicContact CB-CD1 4.24Å; L489-I609 HydrophobicContact CD1-CD1 4.37Å
490	T	94.7	Very high	95.4	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-77.6	-15.8	-170.8	57.4	0	0	0	0	114.3	I486 H487 F516 I518 I609	I486-T490 HydrophobicContact CG2-CG2 4.23Å; I486-T490 WeakPolarHBondContact O-CB 3.44Å; I486-T490 VanDerWaalsContact O-CG2 3.31Å; I486-T490 WeakPolarHBondContact O-CG2 3.48Å; I486-T490 PolarHBondContact O-N 2.83Å; I486-T490 PolarHBondContact O-OG1 3.03Å; H487-T490 PolarHBondContact O-N 2.88Å; H487-T490 PolarHBondContact O-OG1 3.36Å; T490-F516 WeakPolarHBondContact CB-O 3.37Å; T490-F516 HydrophobicContact CG2-CD1 3.74Å; T490-F516 HydrophobicContact CG2-CE1 4.04Å; T490-F516 WeakPolarHBondContact CG2-O 3.41Å; T490-I518 PolarHBondContact OG1-N 3.42Å; T490-I609 HydrophobicContact CG2-CD1 3.84Å
491	V	92	Very high	95.3	Very high	43 Å²	43	23.4 Å²	23.4	26%	0.261	11%	0.111	S	C	.	.	H	α-helix	trans	-85.3	-21.4	174.8	176	0	0	0	0	112.7	H487 L489 R493	H487-V491 VanDerWaalsContact CE1-CG2 3.4Å; H487-V491 WeakPolarHBondContact CE1-CG2 3.2Å; H487-V491 WeakPolarHBondContact ND1-CG2 3.45Å; H487-V491 WeakPolarHBondContact O-CB 3.46Å; H487-V491 VanDerWaalsContact O-CG2 3.27Å; H487-V491 WeakPolarHBondContact O-CG2 3.46Å; H487-V491 PolarHBondContact O-N 3.35Å; L489-V491 VanDerWaalsContact C-N 3.33Å; L489-V491 PolarHBondContact O-N 3.27Å; V491-R493 VanDerWaalsContact C-N 3.28Å; V491-R493 PolarHBondContact O-N 2.91Å
492	Q	88.9	Confident	95.2	Very high	29 Å²	29	24.2 Å²	24.2	14%	0.136	12%	0.117	C	C	.	.	S	Bend	trans	-73.3	-20	-172.3	81.7	-163.1	-26.4	0	0	114	R429 L489 Y495	R429-Q492 HydrophobicContact CB-CB 4.17Å; L489-Q492 WeakPolarHBondContact O-CG 3.5Å; L489-Q492 PolarHBondContact O-N 2.82Å; L489-Q492 PolarHBondContact O-NE2 3.18Å; Q492-Y495 HydrophobicContact CG-CE2 4.11Å; Q492-Y495 PolarHBondContact NE2-OH 3.04Å
493	R	89.6	Confident	95	Very high	112 Å²	112	24.4 Å²	24.4	42%	0.423	12%	0.118	S	C	.	.	S	Bend	trans	-171.2	179.3	174.1	60.6	-177.9	73.4	167.8	10.4	108.8	L409 V491 Y495	L409-R493 PolarHBondContact O-NH1 3.3Å; V491-R493 VanDerWaalsContact C-N 3.28Å; V491-R493 PolarHBondContact O-N 2.91Å; R493-Y495 HydrophobicContact CG-CD2 3.99Å; R493-Y495 HydrophobicContact CG-CE2 3.46Å; R493-Y495 VanDerWaalsContact CG-CE2 3.46Å; R493-Y495 WeakPolarHBondContact O-CD2 3.2Å
494	K	93.2	Very high	94.7	Very high	98 Å²	98	28.3 Å²	28.3	43%	0.426	14%	0.138	S	C	.	.			trans	-69.3	131.5	172.8	-167.4	175.5	172.8	136.5	0	111.2	S514 E515 S612	K494-S514 VanDerWaalsContact CE-O 3.27Å; K494-S514 WeakPolarHBondContact CE-O 3.2Å; K494-E515 HydrophobicContact CD-CG 4.45Å; K494-E515 WeakPolarHBondContact CE-OE2 3.39Å; K494-E515 HydrophobicContact CG-CG 3.91Å; K494-E515 IonicContact NZ-OE2 3.61Å; K494-E515 PolarHBondContact NZ-OE2 3.28Å; K494-S612 PolarHBondContact O-N 3.15Å
495	Y	94.8	Very high	94.5	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.3	175.3	-85.4	-102.7	0	0	0	110	L409 L489 Q492 R493 E515 F516 I609 R610 P611 S612	L409-Y495 VanDerWaalsContact CD2-OH 3.31Å; L409-Y495 WeakPolarHBondContact CD2-OH 3.32Å; L489-Y495 WeakPolarHBondContact O-CD2 3.48Å; L489-Y495 WeakPolarHBondContact O-CE2 3.36Å; Q492-Y495 HydrophobicContact CG-CE2 4.11Å; Q492-Y495 PolarHBondContact NE2-OH 3.04Å; R493-Y495 HydrophobicContact CG-CD2 3.99Å; R493-Y495 HydrophobicContact CG-CE2 3.46Å; R493-Y495 VanDerWaalsContact CG-CE2 3.46Å; R493-Y495 WeakPolarHBondContact O-CD2 3.2Å; Y495-E515 CarbonylContact O-C 3.51Å; Y495-E515 WeakPolarHBondContact O-CA 3.37Å; Y495-F516 PolarHBondContact O-N 2.82Å; Y495-I609 HydrophobicContact CD1-CB 3.91Å; Y495-I609 HydrophobicContact CD1-CD1 3.84Å; Y495-I609 HydrophobicContact CD1-CG1 3.82Å; Y495-I609 HydrophobicContact CE1-CD1 4.19Å; Y495-I609 HydrophobicContact CE1-CG1 4.23Å; Y495-I609 HydrophobicContact CG-CD1 4.44Å; Y495-R610 CarbonylContact C-O 3.46Å; Y495-R610 VanDerWaalsContact CA-O 3.31Å; Y495-R610 WeakPolarHBondContact CA-O 3.42Å; Y495-P611 HydrophobicContact CD1-CG 4.46Å; Y495-P611 VanDerWaalsContact CE1-CD 3.49Å; Y495-P611 HydrophobicContact CE1-CG 3.77Å; Y495-S612 VanDerWaalsContact C-OG 3.27Å
496	S	95.1	Very high	94.3	Very high	28 Å²	28	34.8 Å²	34.8	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	150.2	166.8	-59.5	0	0	0	0	109.9	Y513 S514 I609 R610 S612	S496-Y513 WeakPolarHBondContact CA-O 3.45Å; S496-Y513 WeakPolarHBondContact CB-O 3.3Å; S496-S514 PolarHBondContact OG-O 3.24Å; S496-I609 VanDerWaalsContact O-CA 3.23Å; S496-I609 WeakPolarHBondContact O-CA 3.31Å; S496-R610 PolarHBondContact N-O 3.04Å; S496-R610 PolarHBondContact O-N 2.73Å; S496-S612 PolarHBondContact N-OG 3.46Å; S496-S612 VanDerWaalsContact N-OG 3.08Å; S496-S612 PolarHBondContact OG-OG 3.3Å
497	L	97.6	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.2	177.6	166.3	73.9	0	0	0	109.9	I499 D512 Y513 F516 F541 M607 I609	L497-I499 HydrophobicContact CD1-CG1 4.21Å; L497-I499 HydrophobicContact CD2-CD1 4.04Å; L497-I499 HydrophobicContact CD2-CG1 3.98Å; L497-I499 HydrophobicContact CG-CG1 4.02Å; L497-D512 WeakPolarHBondContact O-CA 3.47Å; L497-Y513 HydrophobicContact CD2-CD2 4.04Å; L497-Y513 HydrophobicContact CG-CD2 4.41Å; L497-Y513 PolarHBondContact N-O 3.42Å; L497-Y513 VanDerWaalsContact N-O 3.13Å; L497-Y513 PolarHBondContact O-N 2.86Å; L497-F516 HydrophobicContact CB-CB 3.43Å; L497-F516 VanDerWaalsContact CB-CB 3.43Å; L497-F516 HydrophobicContact CB-CD2 4.37Å; L497-F516 HydrophobicContact CB-CG 3.92Å; L497-F516 HydrophobicContact CD1-CG 4.49Å; L497-F516 HydrophobicContact CD2-CB 4.24Å; L497-F516 HydrophobicContact CD2-CD2 3.63Å; L497-F516 HydrophobicContact CD2-CE2 4.16Å; L497-F516 HydrophobicContact CD2-CG 4.04Å; L497-F516 HydrophobicContact CG-CB 4.36Å; L497-F516 HydrophobicContact CG-CD2 4.44Å; L497-F516 HydrophobicContact CG-CG 4.38Å; L497-F541 HydrophobicContact CD2-CD1 4.19Å; L497-F541 HydrophobicContact CD2-CE1 3.59Å; L497-F541 HydrophobicContact CD2-CZ 4.41Å; L497-M607 HydrophobicContact CD1-CB 4.18Å; L497-M607 HydrophobicContact CD1-CE 4.01Å; L497-M607 HydrophobicContact CD2-CE 4.17Å; L497-I609 HydrophobicContact CB-CG2 4.42Å; L497-I609 HydrophobicContact CD1-CG2 3.92Å
498	R	96.9	Very high	94.1	Very high	9 Å²	9	43.1 Å²	43.1	3%	0.034	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	164.4	-179.1	174.2	-61.5	164.7	6.4	109.1	D443 W448 E500 R510 D512 K608	D443-R498 IonicContact OD1-NH1 3.67Å; D443-R498 PolarHBondContact OD1-NH1 3.42Å; D443-R498 VanDerWaalsContact OD1-NH1 3.1Å; D443-R498 IonicContact OD2-CZ 2.76Å; D443-R498 IonicContact OD2-NH1 3.66Å; D443-R498 PolarHBondContact OD2-NH1 3.16Å; W448-R498 HydrophobicContact CE3-CB 4.44Å; W448-R498 HydrophobicContact CH2-CB 3.82Å; W448-R498 HydrophobicContact CZ2-CB 4.48Å; W448-R498 HydrophobicContact CZ3-CB 3.79Å; R498-E500 WeakPolarHBondContact CD-OE1 3.3Å; R498-E500 HydrophobicContact CG-CG 3.86Å; R498-R510 HydrophobicContact CG-CG 4.43Å; R498-R510 VanDerWaalsContact CZ-NH1 3.27Å; R498-D512 WeakPolarHBondContact CG-OD1 3.49Å; R498-D512 IonicContact CZ-OD1 2.69Å; R498-D512 IonicContact NE-OD1 2.67Å; R498-D512 PolarHBondContact NE-OD1 3.19Å; R498-D512 IonicContact NH2-OD1 3.87Å; R498-K608 HydrophobicContact CB-CG 4.12Å; R498-K608 PolarHBondContact N-O 2.86Å; R498-K608 PolarHBondContact O-N 3.26Å
499	I	98.3	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.4	169.7	-56.2	-178.2	0	0	0	107.3	L497 T501 R510 A511 Y513 F541 L581 W591 R606 M607	L497-I499 HydrophobicContact CD1-CG1 4.21Å; L497-I499 HydrophobicContact CD2-CD1 4.04Å; L497-I499 HydrophobicContact CD2-CG1 3.98Å; L497-I499 HydrophobicContact CG-CG1 4.02Å; I499-T501 HydrophobicContact CG2-CG2 4.02Å; I499-R510 CarbonylContact O-C 3.56Å; I499-R510 WeakPolarHBondContact O-CA 3.22Å; I499-R510 WeakPolarHBondContact O-CB 3.33Å; I499-A511 PolarHBondContact N-O 3.48Å; I499-A511 PolarHBondContact O-N 3.36Å; I499-Y513 HydrophobicContact CD1-CE2 4.19Å; I499-F541 HydrophobicContact CD1-CB 4.46Å; I499-F541 HydrophobicContact CD1-CD1 3.91Å; I499-F541 HydrophobicContact CD1-CD2 4.42Å; I499-F541 HydrophobicContact CD1-CE1 4.24Å; I499-F541 HydrophobicContact CD1-CG 4.02Å; I499-L581 HydrophobicContact CD1-CD1 4.3Å; I499-L581 HydrophobicContact CG2-CD1 3.52Å; I499-W591 HydrophobicContact CD1-CH2 4Å; I499-W591 HydrophobicContact CD1-CZ3 3.84Å; I499-W591 HydrophobicContact CG2-CZ3 3.96Å; I499-R606 WeakPolarHBondContact CA-O 3.31Å; I499-M607 HydrophobicContact CD1-CE 4.25Å; I499-M607 HydrophobicContact CG1-CE 4.42Å; I499-M607 HydrophobicContact CG1-CG 4.26Å
500	E	96.8	Very high	94.3	Very high	13 Å²	13	46.7 Å²	46.7	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.6	176.9	-55.9	178.9	151.9	0	0	108	R498 Y508 T605 R606 K608	R498-E500 WeakPolarHBondContact CD-OE1 3.3Å; R498-E500 HydrophobicContact CG-CG 3.86Å; E500-Y508 HydrophobicContact CB-CE2 3.93Å; E500-Y508 VanDerWaalsContact CD-OH 3.28Å; E500-Y508 HydrophobicContact CG-CE2 4.47Å; E500-Y508 WeakPolarHBondContact CG-OH 3.02Å; E500-Y508 PolarHBondContact OE1-OH 3.39Å; E500-T605 CarbonylContact O-C 3.53Å; E500-T605 WeakPolarHBondContact O-CA 3.43Å; E500-R606 HydrophobicContact CB-CB 4.37Å; E500-R606 PolarHBondContact N-O 3.22Å; E500-R606 PolarHBondContact O-N 2.95Å; E500-K608 VanDerWaalsContact OE1-CE 3.24Å; E500-K608 WeakPolarHBondContact OE1-CE 3.37Å; E500-K608 IonicContact OE1-NZ 2.75Å; E500-K608 PolarHBondContact OE1-NZ 2.82Å; E500-K608 IonicContact OE2-NZ 2.66Å; E500-K608 PolarHBondContact OE2-NZ 2.95Å
501	T	97	Very high	94.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.3	-179.7	69.8	0	0	0	0	111.3	I499 Y508 R509 L537 L581 M602 Q604 T605	I499-T501 HydrophobicContact CG2-CG2 4.02Å; T501-Y508 WeakPolarHBondContact O-CA 3.38Å; T501-R509 PolarHBondContact N-O 3.43Å; T501-R509 PolarHBondContact O-N 3.44Å; T501-L537 HydrophobicContact CG2-CD1 4.1Å; T501-L581 HydrophobicContact CG2-CD2 4.37Å; T501-M602 WeakPolarHBondContact CB-SD 3.5Å; T501-M602 HydrophobicContact CG2-CG 4.49Å; T501-M602 HydrophobicContact CG2-SD 3.72Å; T501-M602 PolarHBondContact OG1-SD 2.86Å; T501-Q604 CarbonylContact C-O 3.6Å; T501-Q604 VanDerWaalsContact CA-O 3.28Å; T501-Q604 WeakPolarHBondContact CA-O 3.42Å; T501-T605 HydrophobicContact CG2-CG2 4.27Å
502	V	95.9	Very high	94.6	Very high	29 Å²	29	45.3 Å²	45.3	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.6	165.8	-179.2	0	0	0	0	105.9	D507 Y508 K603 Q604	V502-D507 WeakPolarHBondContact CA-O 3.4Å; V502-Y508 HydrophobicContact CG2-CD2 4.09Å; V502-K603 WeakPolarHBondContact O-CA 3.46Å; V502-K603 WeakPolarHBondContact O-CB 3.42Å; V502-K603 PolarHBondContact O-N 2.87Å; V502-Q604 HydrophobicContact CB-CB 4.14Å; V502-Q604 HydrophobicContact CG2-CB 4.42Å; V502-Q604 PolarHBondContact N-O 3.43Å; V502-Q604 PolarHBondContact O-N 3.28Å
503	D	93.1	Very high	95.1	Very high	4 Å²	4	44 Å²	44	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	177.7	177.4	70.2	20.8	0	0	0	112.2	F505 G506 D507 R509 Q601 M602 K603	D503-F505 PolarHBondContact O-N 3.43Å; D503-F505 WeakPolarHBondContact OD1-CA 3.44Å; D503-F505 WeakPolarHBondContact OD1-CB 3.46Å; D503-F505 PolarHBondContact OD1-N 2.77Å; D503-G506 PolarHBondContact O-N 3.19Å; D503-G506 VanDerWaalsContact O-N 3.08Å; D503-G506 PolarHBondContact OD1-N 2.86Å; D503-D507 PolarHBondContact N-O 2.89Å; D503-D507 VanDerWaalsContact N-O 3.13Å; D503-D507 PolarHBondContact OD1-N 3.24Å; D503-R509 IonicContact OD2-NH2 3.17Å; D503-Q601 WeakPolarHBondContact CA-O 3.21Å; D503-Q601 WeakPolarHBondContact CB-O 3.49Å; D503-M602 HydrophobicContact CB-CE 4.45Å; D503-K603 WeakPolarHBondContact O-CB 3.49Å
504	I	91.9	Very high	95.4	Very high	83 Å²	83	40.1 Å²	40.1	43%	0.426	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	179.3	57.9	168.6	0	0	0	113.8	Q601	I504-Q601 HydrophobicContact CD1-CB 4.32Å; I504-Q601 HydrophobicContact CG1-CB 4.46Å; I504-Q601 HydrophobicContact CG2-CB 3.96Å; I504-Q601 HydrophobicContact CG2-CG 3.81Å; I504-Q601 PolarHBondContact N-O 3.45Å; I504-Q601 VanDerWaalsContact N-O 3.1Å
505	F	92.4	Very high	95.6	Very high	169 Å²	169	37.8 Å²	37.8	74%	0.741	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.8	176.4	-55.7	-67.8	0	0	0	112.4	D503	D503-F505 PolarHBondContact O-N 3.43Å; D503-F505 WeakPolarHBondContact OD1-CA 3.44Å; D503-F505 WeakPolarHBondContact OD1-CB 3.46Å; D503-F505 PolarHBondContact OD1-N 2.77Å
506	G	91.6	Very high	95.7	Very high	44 Å²	44	37.7 Å²	37.7	45%	0.454	19%	0.19	S	C	.	.			trans	95.7	6.9	179.3	0	0	0	0	0	113.7	D503 Y508	D503-G506 PolarHBondContact O-N 3.19Å; D503-G506 VanDerWaalsContact O-N 3.08Å; D503-G506 PolarHBondContact OD1-N 2.86Å; G506-Y508 PolarHBondContact O-N 2.84Å
507	D	93.8	Very high	95.9	Very high	87 Å²	87	40.4 Å²	40.4	47%	0.465	20%	0.199	S	C	.	.			trans	-76.7	120.2	-179.3	-68.5	-26.8	0	0	0	110.1	V502 D503	V502-D507 WeakPolarHBondContact CA-O 3.4Å; D503-D507 PolarHBondContact N-O 2.89Å; D503-D507 VanDerWaalsContact N-O 3.13Å; D503-D507 PolarHBondContact OD1-N 3.24Å
508	Y	95.3	Very high	95.9	Very high	116 Å²	116	40.4 Å²	40.4	46%	0.455	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.7	174.3	175.7	-95.6	0	0	0	110.8	E500 T501 V502 G506 R510 N536	E500-Y508 HydrophobicContact CB-CE2 3.93Å; E500-Y508 VanDerWaalsContact CD-OH 3.28Å; E500-Y508 HydrophobicContact CG-CE2 4.47Å; E500-Y508 WeakPolarHBondContact CG-OH 3.02Å; E500-Y508 PolarHBondContact OE1-OH 3.39Å; T501-Y508 WeakPolarHBondContact O-CA 3.38Å; V502-Y508 HydrophobicContact CG2-CD2 4.09Å; G506-Y508 PolarHBondContact O-N 2.84Å; Y508-R510 HydrophobicContact CE1-CB 4.44Å; Y508-N536 PolarHBondContact O-ND2 3.39Å
509	R	95.3	Very high	96	Very high	61 Å²	61	40.3 Å²	40.3	23%	0.23	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162.4	175.8	-45.8	-173.8	-174.7	-162.5	2.7	111.6	T501 D503 N536 L537	T501-R509 PolarHBondContact N-O 3.43Å; T501-R509 PolarHBondContact O-N 3.44Å; D503-R509 IonicContact OD2-NH2 3.17Å; R509-N536 WeakPolarHBondContact CA-OD1 3.41Å; R509-L537 HydrophobicContact CB-CD1 4.15Å; R509-L537 HydrophobicContact CB-CD2 3.58Å; R509-L537 HydrophobicContact CB-CG 3.49Å; R509-L537 VanDerWaalsContact CB-CG 3.49Å; R509-L537 HydrophobicContact CG-CD2 4.24Å
510	R	95.2	Very high	95.9	Very high	48 Å²	48	41.4 Å²	41.4	18%	0.181	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.4	-176.2	131.2	-179	-171.2	-168.3	-9.3	112.7	R498 I499 Y508 D512 G535 N536 L537	R498-R510 HydrophobicContact CG-CG 4.43Å; R498-R510 VanDerWaalsContact CZ-NH1 3.27Å; I499-R510 CarbonylContact O-C 3.56Å; I499-R510 WeakPolarHBondContact O-CA 3.22Å; I499-R510 WeakPolarHBondContact O-CB 3.33Å; Y508-R510 HydrophobicContact CE1-CB 4.44Å; R510-D512 IonicContact CZ-OD1 2.79Å; R510-D512 IonicContact CZ-OD2 3.1Å; R510-D512 VanDerWaalsContact NE-CG 3.31Å; R510-D512 IonicContact NE-OD1 3.21Å; R510-D512 PolarHBondContact NE-OD1 3.33Å; R510-D512 VanDerWaalsContact NE-OD1 3.16Å; R510-D512 IonicContact NE-OD2 2.68Å; R510-D512 PolarHBondContact NE-OD2 2.55Å; R510-D512 VanDerWaalsContact NH2-CG 3.33Å; R510-D512 IonicContact NH2-OD1 3.53Å; R510-D512 PolarHBondContact NH2-OD1 2.88Å; R510-D512 IonicContact NH2-OD2 3.15Å; R510-D512 PolarHBondContact NH2-OD2 3.46Å; R510-G535 CarbonylContact O-C 3.41Å; R510-G535 VanDerWaalsContact O-C 3.31Å; R510-G535 WeakPolarHBondContact O-CA 3.5Å; R510-N536 PolarHBondContact N-OD1 3.39Å; R510-N536 PolarHBondContact O-N 2.91Å; R510-N536 PolarHBondContact O-OD1 2.99Å; R510-L537 WeakPolarHBondContact O-CB 3.43Å; R510-L537 PolarHBondContact O-N 2.93Å
511	A	97.3	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130	169.8	0	0	0	0	0	110.1	I499 Y513 L537 W591	I499-A511 PolarHBondContact N-O 3.48Å; I499-A511 PolarHBondContact O-N 3.36Å; A511-Y513 HydrophobicContact CB-CE2 3.67Å; A511-L537 HydrophobicContact CB-CB 3.99Å; A511-L537 HydrophobicContact CB-CD1 4.38Å; A511-W591 HydrophobicContact CB-CH2 3.94Å; A511-W591 HydrophobicContact CB-CZ2 4.13Å
512	D	96.9	Very high	96	Very high	18 Å²	18	49 Å²	49	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	175.5	-63.7	-66.2	0	0	0	110.7	L497 R498 R510 H532 V533 G534	L497-D512 WeakPolarHBondContact O-CA 3.47Å; R498-D512 WeakPolarHBondContact CG-OD1 3.49Å; R498-D512 IonicContact CZ-OD1 2.69Å; R498-D512 IonicContact NE-OD1 2.67Å; R498-D512 PolarHBondContact NE-OD1 3.19Å; R498-D512 IonicContact NH2-OD1 3.87Å; R510-D512 IonicContact CZ-OD1 2.79Å; R510-D512 IonicContact CZ-OD2 3.1Å; R510-D512 VanDerWaalsContact NE-CG 3.31Å; R510-D512 IonicContact NE-OD1 3.21Å; R510-D512 PolarHBondContact NE-OD1 3.33Å; R510-D512 VanDerWaalsContact NE-OD1 3.16Å; R510-D512 IonicContact NE-OD2 2.68Å; R510-D512 PolarHBondContact NE-OD2 2.55Å; R510-D512 VanDerWaalsContact NH2-CG 3.33Å; R510-D512 IonicContact NH2-OD1 3.53Å; R510-D512 PolarHBondContact NH2-OD1 2.88Å; R510-D512 IonicContact NH2-OD2 3.15Å; R510-D512 PolarHBondContact NH2-OD2 3.46Å; D512-H532 CarbonylContact O-C 3.5Å; D512-H532 WeakPolarHBondContact O-CA 3.44Å; D512-V533 HydrophobicContact CB-CG2 3.83Å; D512-V533 WeakPolarHBondContact O-CG2 3.33Å; D512-V533 PolarHBondContact O-N 3.37Å; D512-G534 PolarHBondContact N-O 2.93Å
513	Y	98.1	Very high	96.1	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.3	179.1	-65.9	-86.5	0	0	0	110.6	S496 L497 I499 A511 E515 V529 S531 H532 D539 F541	S496-Y513 WeakPolarHBondContact CA-O 3.45Å; S496-Y513 WeakPolarHBondContact CB-O 3.3Å; L497-Y513 HydrophobicContact CD2-CD2 4.04Å; L497-Y513 HydrophobicContact CG-CD2 4.41Å; L497-Y513 PolarHBondContact N-O 3.42Å; L497-Y513 VanDerWaalsContact N-O 3.13Å; L497-Y513 PolarHBondContact O-N 2.86Å; I499-Y513 HydrophobicContact CD1-CE2 4.19Å; A511-Y513 HydrophobicContact CB-CE2 3.67Å; Y513-E515 PolarHBondContact O-N 2.99Å; Y513-V529 HydrophobicContact CD1-CG2 3.32Å; Y513-V529 HydrophobicContact CD2-CG2 4.26Å; Y513-V529 HydrophobicContact CE1-CG2 3.99Å; Y513-V529 HydrophobicContact CG-CG2 3.49Å; Y513-V529 VanDerWaalsContact CG-CG2 3.49Å; Y513-S531 WeakPolarHBondContact CA-O 3.4Å; Y513-H532 HydrophobicContact CD1-CB 4.23Å; Y513-H532 HydrophobicContact CE1-CB 3.87Å; Y513-H532 AromaticContact CZ-CD2 3.81Å; Y513-D539 VanDerWaalsContact CE1-OD1 3.22Å; Y513-D539 WeakPolarHBondContact CE1-OD1 3.43Å; Y513-D539 PolarHBondContact OH-OD1 3.49Å; Y513-F541 HydrophobicContact CD2-CD1 4.35Å; Y513-F541 HydrophobicContact CE2-CB 4.21Å; Y513-F541 AromaticContact CE2-CD1 3.92Å; Y513-F541 HydrophobicContact CE2-CD1 3.92Å; Y513-F541 WeakPolarHBondContact OH-CB 3.46Å
514	S	96.5	Very high	96.3	Very high	31 Å²	31	56.5 Å²	56.5	22%	0.217	29%	0.287	C	S	.	.	S	Bend	trans	-64.1	-27.3	-177.4	60.9	0	0	0	0	113.4	K494 S496 S531	K494-S514 VanDerWaalsContact CE-O 3.27Å; K494-S514 WeakPolarHBondContact CE-O 3.2Å; S496-S514 PolarHBondContact OG-O 3.24Å; S514-S531 PolarHBondContact N-O 3.42Å; S514-S531 PolarHBondContact OG-N 2.76Å; S514-S531 VanDerWaalsContact OG-N 3.1Å; S514-S531 PolarHBondContact OG-O 3.31Å
515	E	97.5	Very high	96.6	Very high	48 Å²	48	52.5 Å²	52.5	22%	0.224	27%	0.267	C	S	.	.			trans	-146.9	143.5	-178	-162.3	157.5	175.9	0	0	111	K494 Y495 Y513 F528 V529 G530	K494-E515 HydrophobicContact CD-CG 4.45Å; K494-E515 WeakPolarHBondContact CE-OE2 3.39Å; K494-E515 HydrophobicContact CG-CG 3.91Å; K494-E515 IonicContact NZ-OE2 3.61Å; K494-E515 PolarHBondContact NZ-OE2 3.28Å; Y495-E515 CarbonylContact O-C 3.51Å; Y495-E515 WeakPolarHBondContact O-CA 3.37Å; Y513-E515 PolarHBondContact O-N 2.99Å; E515-F528 HydrophobicContact CB-CE1 4.06Å; E515-F528 HydrophobicContact CG-CD1 4.12Å; E515-F528 HydrophobicContact CG-CE1 3.75Å; E515-V529 CarbonylContact O-C 3.52Å; E515-V529 WeakPolarHBondContact O-CA 3.47Å; E515-G530 PolarHBondContact O-N 2.95Å
516	F	98	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	126.8	170.7	173.2	-100	0	0	0	109.5	I451 I486 T490 Y495 L497 I518 L527 F528 F541 W572 I609	I451-F516 HydrophobicContact CD1-CD1 4.49Å; I451-F516 HydrophobicContact CD1-CE1 3.61Å; I451-F516 HydrophobicContact CD1-CZ 3.87Å; I486-F516 HydrophobicContact CG2-CE1 3.73Å; I486-F516 HydrophobicContact CG2-CZ 4.27Å; T490-F516 WeakPolarHBondContact CB-O 3.37Å; T490-F516 HydrophobicContact CG2-CD1 3.74Å; T490-F516 HydrophobicContact CG2-CE1 4.04Å; T490-F516 WeakPolarHBondContact CG2-O 3.41Å; Y495-F516 PolarHBondContact O-N 2.82Å; L497-F516 HydrophobicContact CB-CB 3.43Å; L497-F516 VanDerWaalsContact CB-CB 3.43Å; L497-F516 HydrophobicContact CB-CD2 4.37Å; L497-F516 HydrophobicContact CB-CG 3.92Å; L497-F516 HydrophobicContact CD1-CG 4.49Å; L497-F516 HydrophobicContact CD2-CB 4.24Å; L497-F516 HydrophobicContact CD2-CD2 3.63Å; L497-F516 HydrophobicContact CD2-CE2 4.16Å; L497-F516 HydrophobicContact CD2-CG 4.04Å; L497-F516 HydrophobicContact CG-CB 4.36Å; L497-F516 HydrophobicContact CG-CD2 4.44Å; L497-F516 HydrophobicContact CG-CG 4.38Å; F516-I518 HydrophobicContact CE1-CG2 4.23Å; F516-I518 HydrophobicContact CE2-CG2 4.17Å; F516-I518 HydrophobicContact CZ-CG2 3.75Å; F516-L527 HydrophobicContact CD2-CD1 3.75Å; F516-L527 HydrophobicContact CE2-CD1 3.4Å; F516-L527 HydrophobicContact CZ-CD1 4.45Å; F516-F528 WeakPolarHBondContact CA-O 3.42Å; F516-F541 HydrophobicContact CE2-CZ 4.44Å; F516-W572 HydrophobicContact CE2-CH2 4.19Å; F516-W572 HydrophobicContact CZ-CH2 4.02Å; F516-I609 HydrophobicContact CD1-CG2 3.58Å; F516-I609 HydrophobicContact CE1-CG2 4Å; F516-I609 HydrophobicContact CG-CG2 4.4Å
517	K	98	Very high	97.2	Very high	85 Å²	85	44.1 Å²	44.1	37%	0.37	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.5	-179.5	179.6	-173.7	178.9	-165.8	0	109.3	F528	K517-F528 HydrophobicContact CB-CB 4.21Å; K517-F528 HydrophobicContact CB-CD1 4.3Å; K517-F528 PolarHBondContact N-O 3.3Å; K517-F528 WeakPolarHBondContact O-CA 3.37Å; K517-F528 PolarHBondContact O-N 3.13Å
518	I	98.4	Very high	97.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.3	171.9	69.7	171.6	0	0	0	110	N483 I486 H487 T490 F516 Y525 S526 L527 W572	N483-I518 HydrophobicContact CB-CD1 4.24Å; N483-I518 WeakPolarHBondContact O-CD1 3.48Å; I486-I518 HydrophobicContact CB-CD1 3.66Å; I486-I518 HydrophobicContact CB-CG1 4.43Å; I486-I518 HydrophobicContact CG2-CD1 3.53Å; I486-I518 HydrophobicContact CG2-CG1 3.95Å; I486-I518 HydrophobicContact CG2-CG2 4.45Å; H487-I518 HydrophobicContact CB-CD1 4.24Å; H487-I518 HydrophobicContact CB-CG1 3.96Å; H487-I518 PolarHBondContact ND1-O 3.45Å; T490-I518 PolarHBondContact OG1-N 3.42Å; F516-I518 HydrophobicContact CE1-CG2 4.23Å; F516-I518 HydrophobicContact CE2-CG2 4.17Å; F516-I518 HydrophobicContact CZ-CG2 3.75Å; I518-Y525 HydrophobicContact CD1-CD1 4.22Å; I518-S526 CarbonylContact C-O 3.48Å; I518-S526 VanDerWaalsContact CA-O 3.29Å; I518-S526 WeakPolarHBondContact CA-O 2.88Å; I518-L527 HydrophobicContact CG2-CD1 4.43Å; I518-W572 HydrophobicContact CG2-CH2 4.29Å; I518-W572 HydrophobicContact CG2-CZ2 3.57Å
519	G	97.8	Very high	97.6	Very high	7 Å²	7	39 Å²	39	7%	0.072	20%	0.198	C	C	.	.			trans	-61.5	171	176.9	0	0	0	0	0	112.7	H487 E523 Y525 S526	H487-G519 PolarHBondContact ND1-O 3.36Å; G519-E523 WeakPolarHBondContact CA-OE2 3.39Å; G519-Y525 WeakPolarHBondContact O-CA 3.43Å; G519-Y525 VanDerWaalsContact O-CD1 3.29Å; G519-Y525 WeakPolarHBondContact O-CD1 3.32Å; G519-S526 PolarHBondContact N-O 3.44Å
520	S	96.9	Very high	97.6	Very high	23 Å²	23	36.5 Å²	36.5	16%	0.161	19%	0.191	C	C	.	.			trans	-67.9	170	169.5	56.6	0	0	0	0	111.3	H487 S522 E523 K524 Y525	H487-S520 WeakPolarHBondContact CE1-CA 3.21Å; H487-S520 PolarHBondContact CE1-N 2.98Å; H487-S520 PolarHBondContact ND1-N 2.93Å; S520-S522 PolarHBondContact O-N 3.42Å; S520-S522 PolarHBondContact OG-OG 3.39Å; S520-E523 PolarHBondContact N-OE2 3.36Å; S520-E523 CarbonylContact O-C 3.53Å; S520-E523 VanDerWaalsContact O-C 3.32Å; S520-E523 WeakPolarHBondContact O-CA 3.49Å; S520-E523 PolarHBondContact O-N 3.01Å; S520-E523 WeakPolarHBondContact OG-CG 3.36Å; S520-E523 PolarHBondContact OG-N 3.44Å; S520-E523 PolarHBondContact OG-OE2 3.01Å; S520-K524 PolarHBondContact O-N 2.89Å; S520-Y525 PolarHBondContact O-N 3.38Å
521	E	97.8	Very high	97.7	Very high	67 Å²	67	38.1 Å²	38.1	31%	0.313	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.8	-37.3	172.8	-169.8	173.8	-158.2	0	0	112.3	W465 K469 E523 K524 Y525	W465-E521 HydrophobicContact CZ2-CG 4.09Å; W465-E521 PolarHBondContact NE1-OE1 2.88Å; K469-E521 WeakPolarHBondContact CD-OE1 3.48Å; K469-E521 WeakPolarHBondContact CE-OE2 3.38Å; K469-E521 VanDerWaalsContact NZ-CD 3.25Å; K469-E521 IonicContact NZ-OE1 2.78Å; K469-E521 PolarHBondContact NZ-OE1 3.37Å; K469-E521 IonicContact NZ-OE2 3.17Å; K469-E521 PolarHBondContact NZ-OE2 3.39Å; E521-E523 PolarHBondContact O-N 3.25Å; E521-K524 WeakPolarHBondContact O-CA 3.36Å; E521-K524 PolarHBondContact O-N 3.26Å; E521-Y525 HydrophobicContact CB-CE1 4.17Å; E521-Y525 HydrophobicContact CB-CE2 4.1Å; E521-Y525 HydrophobicContact CG-CE2 3.98Å
522	S	97.5	Very high	97.7	Very high	109 Å²	109	40.8 Å²	40.8	76%	0.762	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-64.1	-25.9	174.3	42.1	0	0	0	0	113.4	S520 K524	S520-S522 PolarHBondContact O-N 3.42Å; S520-S522 PolarHBondContact OG-OG 3.39Å; S522-K524 VanDerWaalsContact C-N 3.29Å
523	E	98	Very high	97.7	Very high	111 Å²	111	44.5 Å²	44.5	52%	0.519	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-96	17.3	173	-61.6	164.4	135.2	0	0	111.5	G519 S520 E521 Y525 S526	G519-E523 WeakPolarHBondContact CA-OE2 3.39Å; S520-E523 PolarHBondContact N-OE2 3.36Å; S520-E523 CarbonylContact O-C 3.53Å; S520-E523 VanDerWaalsContact O-C 3.32Å; S520-E523 WeakPolarHBondContact O-CA 3.49Å; S520-E523 PolarHBondContact O-N 3.01Å; S520-E523 WeakPolarHBondContact OG-CG 3.36Å; S520-E523 PolarHBondContact OG-N 3.44Å; S520-E523 PolarHBondContact OG-OE2 3.01Å; E521-E523 PolarHBondContact O-N 3.25Å; E523-Y525 PolarHBondContact O-N 3.01Å; E523-S526 WeakPolarHBondContact O-CB 3.3Å; E523-S526 PolarHBondContact O-N 3.49Å; E523-S526 VanDerWaalsContact O-N 3.11Å; E523-S526 PolarHBondContact O-OG 3.1Å
524	K	98.3	Very high	97.4	Very high	78 Å²	78	45.7 Å²	45.7	34%	0.339	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	35.3	179.2	-55.6	-57.9	-168.3	167.1	0	113.7	W465 S520 E521 S522 S526 P548 F549 H556	W465-K524 HydrophobicContact CH2-CB 4.23Å; W465-K524 HydrophobicContact CH2-CD 4.15Å; W465-K524 HydrophobicContact CZ2-CD 4.38Å; S520-K524 PolarHBondContact O-N 2.89Å; E521-K524 WeakPolarHBondContact O-CA 3.36Å; E521-K524 PolarHBondContact O-N 3.26Å; S522-K524 VanDerWaalsContact C-N 3.29Å; K524-S526 PolarHBondContact O-N 3.11Å; K524-S526 VanDerWaalsContact O-N 3.14Å; K524-P548 HydrophobicContact CB-CB 3.66Å; K524-F549 PolarHBondContact O-N 2.84Å; K524-H556 PolarHBondContact NZ-NE2 3.18Å
525	Y	98.7	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	34.8	-177.9	-58.9	-64.6	0	0	0	113.8	W465 K469 N483 E484 H487 I518 G519 S520 E521 E523 W572	W465-Y525 AromaticContact CH2-CD2 3.66Å; W465-Y525 HydrophobicContact CH2-CD2 3.66Å; W465-Y525 HydrophobicContact CH2-CE2 4.23Å; W465-Y525 AromaticContact CZ2-CD2 3.49Å; W465-Y525 HydrophobicContact CZ2-CD2 3.49Å; W465-Y525 VanDerWaalsContact CZ2-CD2 3.49Å; W465-Y525 AromaticContact CZ2-CE2 3.58Å; W465-Y525 HydrophobicContact CZ2-CE2 3.58Å; K469-Y525 HydrophobicContact CB-CE2 4.39Å; K469-Y525 WeakPolarHBondContact CG-OH 3.46Å; N483-Y525 HydrophobicContact CB-CD1 3.68Å; N483-Y525 HydrophobicContact CB-CD2 3.63Å; N483-Y525 HydrophobicContact CB-CE1 3.79Å; N483-Y525 HydrophobicContact CB-CE2 3.72Å; N483-Y525 HydrophobicContact CB-CG 3.61Å; E484-Y525 PolarHBondContact OE2-OH 3.04Å; H487-Y525 HydrophobicContact CB-CD1 4.44Å; H487-Y525 HydrophobicContact CB-CE1 4.36Å; I518-Y525 HydrophobicContact CD1-CD1 4.22Å; G519-Y525 WeakPolarHBondContact O-CA 3.43Å; G519-Y525 VanDerWaalsContact O-CD1 3.29Å; G519-Y525 WeakPolarHBondContact O-CD1 3.32Å; S520-Y525 PolarHBondContact O-N 3.38Å; E521-Y525 HydrophobicContact CB-CE1 4.17Å; E521-Y525 HydrophobicContact CB-CE2 4.1Å; E521-Y525 HydrophobicContact CG-CE2 3.98Å; E523-Y525 PolarHBondContact O-N 3.01Å; Y525-W572 PolarHBondContact O-NE1 3.44Å
526	S	98.3	Very high	97	Very high	34 Å²	34	48.9 Å²	48.9	24%	0.238	29%	0.285	C	S	.	.			trans	-55.7	138.2	-176.4	42.9	0	0	0	0	114.1	I518 G519 E523 K524 M547	I518-S526 CarbonylContact C-O 3.48Å; I518-S526 VanDerWaalsContact CA-O 3.29Å; I518-S526 WeakPolarHBondContact CA-O 2.88Å; G519-S526 PolarHBondContact N-O 3.44Å; E523-S526 WeakPolarHBondContact O-CB 3.3Å; E523-S526 PolarHBondContact O-N 3.49Å; E523-S526 VanDerWaalsContact O-N 3.11Å; E523-S526 PolarHBondContact O-OG 3.1Å; K524-S526 PolarHBondContact O-N 3.11Å; K524-S526 VanDerWaalsContact O-N 3.14Å; S526-M547 CarbonylContact C-O 3.58Å; S526-M547 VanDerWaalsContact CA-O 3.26Å; S526-M547 WeakPolarHBondContact CA-O 3.46Å
527	L	98.6	Very high	96.7	Very high	3 Å²	3	49 Å²	49	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.6	-174	178.5	62.6	0	0	0	112.2	F516 I518 F541 H544 G546 M547 W572	F516-L527 HydrophobicContact CD2-CD1 3.75Å; F516-L527 HydrophobicContact CE2-CD1 3.4Å; F516-L527 HydrophobicContact CZ-CD1 4.45Å; I518-L527 HydrophobicContact CG2-CD1 4.43Å; L527-F541 HydrophobicContact CD1-CE1 4.36Å; L527-F541 HydrophobicContact CD1-CZ 4.04Å; L527-F541 HydrophobicContact CD2-CE1 4.04Å; L527-F541 HydrophobicContact CD2-CE2 3.9Å; L527-F541 HydrophobicContact CD2-CZ 3.52Å; L527-F541 HydrophobicContact CG-CZ 4.45Å; L527-H544 HydrophobicContact CD2-CB 3.71Å; L527-G546 WeakPolarHBondContact O-CA 3.31Å; L527-G546 PolarHBondContact O-N 3.27Å; L527-M547 PolarHBondContact N-O 2.83Å; L527-W572 HydrophobicContact CB-CB 4.26Å; L527-W572 HydrophobicContact CB-CD2 3.84Å; L527-W572 HydrophobicContact CB-CG 3.63Å; L527-W572 HydrophobicContact CD1-CD2 4.29Å; L527-W572 HydrophobicContact CD1-CE3 4.41Å; L527-W572 HydrophobicContact CD1-CZ2 4.4Å; L527-W572 HydrophobicContact CD2-CB 4.31Å; L527-W572 HydrophobicContact CD2-CD2 4.04Å; L527-W572 HydrophobicContact CD2-CE3 4.08Å; L527-W572 HydrophobicContact CD2-CG 4.17Å; L527-W572 HydrophobicContact CG-CD2 4.28Å; L527-W572 HydrophobicContact CG-CG 4.43Å
528	F	98.4	Very high	96.5	Very high	95 Å²	95	46.3 Å²	46.3	42%	0.417	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.7	159.4	-179	-91.6	0	0	0	109.5	E515 F516 K517	E515-F528 HydrophobicContact CB-CE1 4.06Å; E515-F528 HydrophobicContact CG-CD1 4.12Å; E515-F528 HydrophobicContact CG-CE1 3.75Å; F516-F528 WeakPolarHBondContact CA-O 3.42Å; K517-F528 HydrophobicContact CB-CB 4.21Å; K517-F528 HydrophobicContact CB-CD1 4.3Å; K517-F528 PolarHBondContact N-O 3.3Å; K517-F528 WeakPolarHBondContact O-CA 3.37Å; K517-F528 PolarHBondContact O-N 3.13Å
529	V	97.9	Very high	96.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.3	174.3	65.5	0	0	0	0	109.4	Y513 E515 F541 R545	Y513-V529 HydrophobicContact CD1-CG2 3.32Å; Y513-V529 HydrophobicContact CD2-CG2 4.26Å; Y513-V529 HydrophobicContact CE1-CG2 3.99Å; Y513-V529 HydrophobicContact CG-CG2 3.49Å; Y513-V529 VanDerWaalsContact CG-CG2 3.49Å; E515-V529 CarbonylContact O-C 3.52Å; E515-V529 WeakPolarHBondContact O-CA 3.47Å; V529-F541 HydrophobicContact CB-CE1 4.28Å; V529-F541 HydrophobicContact CG2-CD1 4.03Å; V529-F541 HydrophobicContact CG2-CE1 4.02Å; V529-R545 HydrophobicContact CG1-CB 4.07Å; V529-R545 HydrophobicContact CG1-CG 4.47Å; V529-R545 PolarHBondContact O-NE 2.93Å; V529-R545 PolarHBondContact O-NH2 3.06Å
530	G	96.5	Very high	96.3	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	28%	0.284	C	S	.	.			trans	-75.1	-167.3	177.7	0	0	0	0	0	112.5	E515 R545	E515-G530 PolarHBondContact O-N 2.95Å; G530-R545 PolarHBondContact O-NH2 3.38Å
531	S	96.6	Very high	96.3	Very high	82 Å²	82	47.1 Å²	47.1	57%	0.573	28%	0.277	S	S	*	.			trans	-62.3	141.5	175.2	-46.6	0	0	0	0	111.7	Y513 S514 V533	Y513-S531 WeakPolarHBondContact CA-O 3.4Å; S514-S531 PolarHBondContact N-O 3.42Å; S514-S531 PolarHBondContact OG-N 2.76Å; S514-S531 VanDerWaalsContact OG-N 3.1Å; S514-S531 PolarHBondContact OG-O 3.31Å; S531-V533 PolarHBondContact O-N 3.04Å
532	H	97.2	Very high	96.2	Very high	55 Å²	55	44.6 Å²	44.6	26%	0.255	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	117.5	164.1	-177.8	-99.6	0	0	0	109.4	D512 Y513 G534 L537 D539	D512-H532 CarbonylContact O-C 3.5Å; D512-H532 WeakPolarHBondContact O-CA 3.44Å; Y513-H532 HydrophobicContact CD1-CB 4.23Å; Y513-H532 HydrophobicContact CE1-CB 3.87Å; Y513-H532 AromaticContact CZ-CD2 3.81Å; H532-G534 PolarHBondContact CE1-O 3.26Å; H532-G534 PolarHBondContact NE2-O 3.49Å; H532-G534 VanDerWaalsContact NE2-O 3.14Å; H532-L537 PolarHBondContact CE1-O 2.95Å; H532-L537 PolarHBondContact NE2-O 3.25Å; H532-D539 HydrophobicContact CB-CB 3.78Å; H532-D539 WeakPolarHBondContact CB-OD2 3.28Å
533	V	96	Very high	96.1	Very high	97 Å²	97	44.9 Å²	44.9	59%	0.588	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	-10.7	-171.9	-69.5	0	0	0	0	113.9	D512 S531	D512-V533 HydrophobicContact CB-CG2 3.83Å; D512-V533 WeakPolarHBondContact O-CG2 3.33Å; D512-V533 PolarHBondContact O-N 3.37Å; S531-V533 PolarHBondContact O-N 3.04Å
534	G	92.1	Very high	96.1	Very high	25 Å²	25	39.6 Å²	39.6	26%	0.258	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	177.8	180	0	0	0	0	0	113	D512 H532	D512-G534 PolarHBondContact N-O 2.93Å; H532-G534 PolarHBondContact CE1-O 3.26Å; H532-G534 PolarHBondContact NE2-O 3.49Å; H532-G534 VanDerWaalsContact NE2-O 3.14Å
535	G	92.4	Very high	96.1	Very high	45 Å²	45	40.9 Å²	40.9	46%	0.464	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	106.4	166.6	-171.4	0	0	0	0	0	112.3	R510	R510-G535 CarbonylContact O-C 3.41Å; R510-G535 VanDerWaalsContact O-C 3.31Å; R510-G535 WeakPolarHBondContact O-CA 3.5Å
536	N	92.9	Very high	96	Very high	101 Å²	101	43.3 Å²	43.3	54%	0.54	26%	0.259	S	S	.	.	S	Bend	trans	-103.3	2	-179.1	61.7	-20.5	0	0	0	113.1	Y508 R509 R510	Y508-N536 PolarHBondContact O-ND2 3.39Å; R509-N536 WeakPolarHBondContact CA-OD1 3.41Å; R510-N536 PolarHBondContact N-OD1 3.39Å; R510-N536 PolarHBondContact O-N 2.91Å; R510-N536 PolarHBondContact O-OD1 2.99Å
537	L	93.4	Very high	96	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	-85.8	141.1	162.1	-75.5	170.6	0	0	0	109.6	T501 R509 R510 A511 H532 W591 L600	T501-L537 HydrophobicContact CG2-CD1 4.1Å; R509-L537 HydrophobicContact CB-CD1 4.15Å; R509-L537 HydrophobicContact CB-CD2 3.58Å; R509-L537 HydrophobicContact CB-CG 3.49Å; R509-L537 VanDerWaalsContact CB-CG 3.49Å; R509-L537 HydrophobicContact CG-CD2 4.24Å; R510-L537 WeakPolarHBondContact O-CB 3.43Å; R510-L537 PolarHBondContact O-N 2.93Å; A511-L537 HydrophobicContact CB-CB 3.99Å; A511-L537 HydrophobicContact CB-CD1 4.38Å; H532-L537 PolarHBondContact CE1-O 2.95Å; H532-L537 PolarHBondContact NE2-O 3.25Å; L537-W591 HydrophobicContact CB-CZ2 4.1Å; L537-W591 HydrophobicContact CD1-CD2 4.27Å; L537-W591 HydrophobicContact CD1-CE3 4.36Å; L537-W591 HydrophobicContact CD1-CH2 4.39Å; L537-W591 HydrophobicContact CD1-CZ2 4.27Å; L537-W591 HydrophobicContact CD1-CZ3 4.44Å; L537-W591 HydrophobicContact CD2-CD2 4.49Å; L537-W591 HydrophobicContact CD2-CG 4.37Å; L537-L600 HydrophobicContact CD2-CD1 4.35Å
538	T	93.6	Very high	96	Very high	27 Å²	27	44.6 Å²	44.6	17%	0.166	26%	0.264	C	S	.	.			trans	-72.8	154.9	172	57.7	0	0	0	0	111.9	S540 W591 S593 S594 D595	T538-S540 PolarHBondContact O-N 3.42Å; T538-W591 VanDerWaalsContact O-CZ2 3.26Å; T538-W591 WeakPolarHBondContact O-CZ2 3.23Å; T538-W591 PolarHBondContact O-NE1 3.5Å; T538-W591 VanDerWaalsContact O-NE1 3.08Å; T538-S593 WeakPolarHBondContact OG1-CA 3.47Å; T538-S594 PolarHBondContact OG1-N 2.84Å; T538-S594 PolarHBondContact OG1-OG 3.14Å; T538-D595 HydrophobicContact CG2-CB 3.8Å; T538-D595 VanDerWaalsContact CG2-OD1 3.23Å; T538-D595 WeakPolarHBondContact CG2-OD1 3.37Å
539	D	95.2	Very high	96	Very high	47 Å²	47	40 Å²	40	25%	0.251	24%	0.244	S	C	.	.	S	Bend	trans	-77.2	79.6	-178.1	-170.6	14.2	0	0	0	114	Y513 H532 S542	Y513-D539 VanDerWaalsContact CE1-OD1 3.22Å; Y513-D539 WeakPolarHBondContact CE1-OD1 3.43Å; Y513-D539 PolarHBondContact OH-OD1 3.49Å; H532-D539 HydrophobicContact CB-CB 3.78Å; H532-D539 WeakPolarHBondContact CB-OD2 3.28Å; D539-S542 VanDerWaalsContact CG-CB 3.47Å; D539-S542 WeakPolarHBondContact OD1-CB 3.41Å; D539-S542 PolarHBondContact OD1-N 2.87Å; D539-S542 PolarHBondContact OD1-OG 3.32Å; D539-S542 WeakPolarHBondContact OD2-CB 3.07Å; D539-S542 PolarHBondContact OD2-OG 3.45Å
540	S	95.5	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.244	C	C	.	.			trans	-96.4	-19.9	169.1	-73.2	0	0	0	0	113.2	T538 S542 H543 T578 L592 S594	T538-S540 PolarHBondContact O-N 3.42Å; S540-S542 VanDerWaalsContact C-N 3.35Å; S540-S542 PolarHBondContact O-N 2.83Å; S540-H543 WeakPolarHBondContact O-CB 3.31Å; S540-H543 PolarHBondContact O-N 3.08Å; S540-T578 PolarHBondContact O-OG1 2.82Å; S540-L592 WeakPolarHBondContact CB-O 3.31Å; S540-L592 PolarHBondContact OG-O 3.39Å; S540-S594 PolarHBondContact OG-OG 3.42Å
541	F	97	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-70.8	-30.6	-179.3	-176.5	-118.3	0	0	0	112.4	L497 I499 Y513 F516 L527 V529 H543 H544 W571 W572 V579 W591 M607	L497-F541 HydrophobicContact CD2-CD1 4.19Å; L497-F541 HydrophobicContact CD2-CE1 3.59Å; L497-F541 HydrophobicContact CD2-CZ 4.41Å; I499-F541 HydrophobicContact CD1-CB 4.46Å; I499-F541 HydrophobicContact CD1-CD1 3.91Å; I499-F541 HydrophobicContact CD1-CD2 4.42Å; I499-F541 HydrophobicContact CD1-CE1 4.24Å; I499-F541 HydrophobicContact CD1-CG 4.02Å; Y513-F541 HydrophobicContact CD2-CD1 4.35Å; Y513-F541 HydrophobicContact CE2-CB 4.21Å; Y513-F541 AromaticContact CE2-CD1 3.92Å; Y513-F541 HydrophobicContact CE2-CD1 3.92Å; Y513-F541 WeakPolarHBondContact OH-CB 3.46Å; F516-F541 HydrophobicContact CE2-CZ 4.44Å; L527-F541 HydrophobicContact CD1-CE1 4.36Å; L527-F541 HydrophobicContact CD1-CZ 4.04Å; L527-F541 HydrophobicContact CD2-CE1 4.04Å; L527-F541 HydrophobicContact CD2-CE2 3.9Å; L527-F541 HydrophobicContact CD2-CZ 3.52Å; L527-F541 HydrophobicContact CG-CZ 4.45Å; V529-F541 HydrophobicContact CB-CE1 4.28Å; V529-F541 HydrophobicContact CG2-CD1 4.03Å; V529-F541 HydrophobicContact CG2-CE1 4.02Å; F541-H543 PolarHBondContact O-N 3.22Å; F541-H543 VanDerWaalsContact O-N 3.08Å; F541-H544 PolarHBondContact O-CD2 3.08Å; F541-H544 PolarHBondContact O-N 3.32Å; F541-W571 HydrophobicContact CD2-CZ2 4.04Å; F541-W571 HydrophobicContact CE2-CH2 4.14Å; F541-W571 AromaticContact CE2-CZ2 3.52Å; F541-W571 HydrophobicContact CE2-CZ2 3.52Å; F541-W572 HydrophobicContact CE2-CE3 4.22Å; F541-W572 HydrophobicContact CE2-CZ3 4.41Å; F541-W572 HydrophobicContact CZ-CE3 4.26Å; F541-W572 HydrophobicContact CZ-CZ3 4.19Å; F541-V579 HydrophobicContact CB-CG2 4.26Å; F541-V579 HydrophobicContact CD2-CB 4.41Å; F541-V579 HydrophobicContact CD2-CG1 4.24Å; F541-W591 HydrophobicContact CB-CH2 3.7Å; F541-W591 HydrophobicContact CB-CZ2 4.3Å; F541-W591 HydrophobicContact CB-CZ3 4.24Å; F541-M607 HydrophobicContact CZ-CE 4.2Å
542	S	96.4	Very high	96.1	Very high	14 Å²	14	36.9 Å²	36.9	10%	0.098	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56.6	-21.6	172.3	-83.5	0	0	0	0	114.3	D539 S540 H544 R545	D539-S542 VanDerWaalsContact CG-CB 3.47Å; D539-S542 WeakPolarHBondContact OD1-CB 3.41Å; D539-S542 PolarHBondContact OD1-N 2.87Å; D539-S542 PolarHBondContact OD1-OG 3.32Å; D539-S542 WeakPolarHBondContact OD2-CB 3.07Å; D539-S542 PolarHBondContact OD2-OG 3.45Å; S540-S542 VanDerWaalsContact C-N 3.35Å; S540-S542 PolarHBondContact O-N 2.83Å; S542-H544 PolarHBondContact O-N 2.88Å; S542-R545 WeakPolarHBondContact O-CB 3.5Å; S542-R545 PolarHBondContact O-N 3.42Å; S542-R545 VanDerWaalsContact O-N 3.1Å; S542-R545 PolarHBondContact O-NH1 2.96Å; S542-R545 PolarHBondContact OG-NH1 3.48Å; S542-R545 PolarHBondContact OG-NH2 3.2Å
543	H	95.6	Very high	96.1	Very high	116 Å²	116	38.1 Å²	38.1	54%	0.537	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63.1	-25.5	175.3	-78.9	76.3	0	0	0	112.4	S540 F541 R545 T574 T578	S540-H543 WeakPolarHBondContact O-CB 3.31Å; S540-H543 PolarHBondContact O-N 3.08Å; F541-H543 PolarHBondContact O-N 3.22Å; F541-H543 VanDerWaalsContact O-N 3.08Å; H543-R545 VanDerWaalsContact C-N 3.26Å; H543-R545 PolarHBondContact O-N 3.26Å; H543-T574 WeakPolarHBondContact O-CG2 3.2Å; H543-T578 HydrophobicContact CB-CG2 4.07Å
544	H	97.4	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-82.7	-0.2	177	-58.5	-67.7	0	0	0	113.3	L527 F541 S542 G546 M547 W572 T578 V579	L527-H544 HydrophobicContact CD2-CB 3.71Å; F541-H544 PolarHBondContact O-CD2 3.08Å; F541-H544 PolarHBondContact O-N 3.32Å; S542-H544 PolarHBondContact O-N 2.88Å; H544-G546 PolarHBondContact O-N 3.01Å; H544-M547 WeakPolarHBondContact O-CB 3.41Å; H544-M547 PolarHBondContact O-N 3.47Å; H544-M547 VanDerWaalsContact O-N 3.1Å; H544-W572 HydrophobicContact CB-CB 4.1Å; H544-W572 PolarHBondContact ND1-O 3.37Å; H544-T578 PolarHBondContact NE2-OG1 3.49Å; H544-V579 PolarHBondContact NE2-N 3.27Å; H544-V579 VanDerWaalsContact NE2-N 3.19Å; H544-V579 PolarHBondContact NE2-O 2.87Å
545	R	97.4	Very high	96.5	Very high	105 Å²	105	38.6 Å²	38.6	40%	0.396	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	129	-179.1	-179.1	-176.4	-71.4	102.8	1.3	110.5	V529 G530 S542 H543 M547	V529-R545 HydrophobicContact CG1-CB 4.07Å; V529-R545 HydrophobicContact CG1-CG 4.47Å; V529-R545 PolarHBondContact O-NE 2.93Å; V529-R545 PolarHBondContact O-NH2 3.06Å; G530-R545 PolarHBondContact O-NH2 3.38Å; S542-R545 WeakPolarHBondContact O-CB 3.5Å; S542-R545 PolarHBondContact O-N 3.42Å; S542-R545 VanDerWaalsContact O-N 3.1Å; S542-R545 PolarHBondContact O-NH1 2.96Å; S542-R545 PolarHBondContact OG-NH1 3.48Å; S542-R545 PolarHBondContact OG-NH2 3.2Å; H543-R545 VanDerWaalsContact C-N 3.26Å; H543-R545 PolarHBondContact O-N 3.26Å; R545-M547 VanDerWaalsContact C-N 3.28Å
546	G	97.2	Very high	96.7	Very high	51 Å²	51	38.6 Å²	38.6	53%	0.526	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-9.9	179	0	0	0	0	0	114.2	L527 H544	L527-G546 WeakPolarHBondContact O-CA 3.31Å; L527-G546 PolarHBondContact O-N 3.27Å; H544-G546 PolarHBondContact O-N 3.01Å
547	M	98.2	Very high	96.8	Very high	33 Å²	33	34.8 Å²	34.8	16%	0.163	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-72.8	138.5	-179.6	-65.1	-47.3	-61.4	0	0	111.5	S526 L527 H544 R545 A558 W572 F573 T574	S526-M547 CarbonylContact C-O 3.58Å; S526-M547 VanDerWaalsContact CA-O 3.26Å; S526-M547 WeakPolarHBondContact CA-O 3.46Å; L527-M547 PolarHBondContact N-O 2.83Å; H544-M547 WeakPolarHBondContact O-CB 3.41Å; H544-M547 PolarHBondContact O-N 3.47Å; H544-M547 VanDerWaalsContact O-N 3.1Å; R545-M547 VanDerWaalsContact C-N 3.28Å; M547-A558 HydrophobicContact CE-CB 3.58Å; M547-W572 HydrophobicContact CB-CB 4.15Å; M547-W572 VanDerWaalsContact O-CD1 3.25Å; M547-F573 WeakPolarHBondContact CE-O 3.24Å; M547-T574 HydrophobicContact CG-CG2 3.4Å; M547-T574 HydrophobicContact SD-CG2 3.95Å
548	P	98.3	Very high	96.8	Very high	30 Å²	30	37.3 Å²	37.3	20%	0.195	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-65.9	160.2	166.3	33.1	-38.2	0	0	0	110.6	K524 H556 W572	K524-P548 HydrophobicContact CB-CB 3.66Å; P548-H556 HydrophobicContact CB-CB 3.87Å; P548-H556 HydrophobicContact CG-CB 3.57Å; P548-H556 WeakPolarHBondContact CG-O 3.48Å; P548-W572 WeakPolarHBondContact O-CA 3.25Å
549	F	98.7	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-79	137	172.2	-158.1	-98.3	0	0	0	109.2	W465 Y468 W480 N483 K524 T551 H556 G570 W572	W465-F549 HydrophobicContact CZ3-CB 4.42Å; W465-F549 WeakPolarHBondContact CZ3-O 3.32Å; Y468-F549 AromaticContact CD1-CE1 3.55Å; Y468-F549 HydrophobicContact CD1-CE1 3.55Å; Y468-F549 AromaticContact CD1-CZ 3.55Å; Y468-F549 HydrophobicContact CD1-CZ 3.55Å; Y468-F549 HydrophobicContact CD2-CE1 4.27Å; Y468-F549 HydrophobicContact CE1-CE1 4.04Å; Y468-F549 AromaticContact CE1-CZ 3.73Å; Y468-F549 HydrophobicContact CE1-CZ 3.73Å; Y468-F549 AromaticContact CG-CE1 3.68Å; Y468-F549 HydrophobicContact CG-CE1 3.68Å; Y468-F549 HydrophobicContact CG-CZ 4.17Å; W480-F549 HydrophobicContact CH2-CE2 4.47Å; W480-F549 HydrophobicContact CZ2-CE2 4.1Å; W480-F549 HydrophobicContact CZ2-CZ 4.25Å; N483-F549 WeakPolarHBondContact ND2-CD1 3.33Å; K524-F549 PolarHBondContact O-N 2.84Å; F549-T551 HydrophobicContact CD1-CG2 4.01Å; F549-T551 HydrophobicContact CE1-CG2 3.87Å; F549-H556 PolarHBondContact O-ND1 2.98Å; F549-G570 WeakPolarHBondContact CZ-O 3.4Å; F549-W572 AromaticContact CD2-CD1 3.83Å; F549-W572 AromaticContact CD2-CD2 3.81Å; F549-W572 HydrophobicContact CD2-CD2 3.81Å; F549-W572 AromaticContact CD2-CE2 3.49Å; F549-W572 VanDerWaalsContact CD2-CE2 3.49Å; F549-W572 HydrophobicContact CD2-CE3 4.46Å; F549-W572 HydrophobicContact CD2-CG 4.02Å; F549-W572 AromaticContact CD2-CZ2 3.85Å; F549-W572 HydrophobicContact CD2-CZ2 3.85Å; F549-W572 AromaticContact CD2-NE1 3.54Å; F549-W572 HydrophobicContact CE2-CD2 4.24Å; F549-W572 HydrophobicContact CE2-CE3 4.45Å; F549-W572 HydrophobicContact CE2-CH2 4.32Å; F549-W572 HydrophobicContact CE2-CZ2 4.08Å
550	S	98.6	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-117	150.3	173	-50.6	0	0	0	0	110.1	Q554 H556 D557 G570 W571	S550-Q554 WeakPolarHBondContact CA-O 3.25Å; S550-H556 VanDerWaalsContact OG-C 3.23Å; S550-H556 WeakPolarHBondContact OG-CA 3.42Å; S550-H556 PolarHBondContact OG-N 2.89Å; S550-D557 PolarHBondContact OG-N 2.76Å; S550-G570 CarbonylContact O-C 3.6Å; S550-G570 WeakPolarHBondContact O-CA 3.48Å; S550-W571 PolarHBondContact N-O 2.84Å; S550-W571 PolarHBondContact O-N 2.89Å; S550-W571 VanDerWaalsContact O-N 3.11Å
551	T	98.5	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-132.3	164.4	173.3	54.8	0	0	0	0	109.6	W465 Y468 F549 D553 Q554 H562 A564	W465-T551 HydrophobicContact CE3-CG2 4.17Å; W465-T551 PolarHBondContact N-OG1 2.88Å; Y468-T551 HydrophobicContact CD2-CG2 3.53Å; Y468-T551 HydrophobicContact CE2-CG2 4.25Å; Y468-T551 HydrophobicContact CG-CG2 4Å; F549-T551 HydrophobicContact CD1-CG2 4.01Å; F549-T551 HydrophobicContact CE1-CG2 3.87Å; T551-D553 VanDerWaalsContact CB-OD1 3.28Å; T551-D553 WeakPolarHBondContact CB-OD1 3.41Å; T551-D553 PolarHBondContact O-N 3.24Å; T551-D553 PolarHBondContact OG1-OD1 3.15Å; T551-Q554 PolarHBondContact N-O 3.17Å; T551-Q554 CarbonylContact O-C 3.6Å; T551-Q554 VanDerWaalsContact O-C 3.25Å; T551-Q554 PolarHBondContact O-N 3.13Å; T551-Q554 PolarHBondContact OG1-N 3.01Å; T551-H562 PolarHBondContact O-CE1 3.43Å; T551-A564 VanDerWaalsContact C-CB 3.42Å
552	P	96.6	Very high	96.2	Very high	24 Å²	24	46.7 Å²	46.7	16%	0.156	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.4	179.8	-27.3	35.9	0	0	0	116.1	Y462 K463 H562	Y462-P552 HydrophobicContact CD2-CB 3.95Å; Y462-P552 HydrophobicContact CD2-CG 3.3Å; Y462-P552 HydrophobicContact CE2-CB 3.34Å; Y462-P552 HydrophobicContact CE2-CG 3.24Å; Y462-P552 HydrophobicContact CG-CG 4.35Å; K463-P552 WeakPolarHBondContact O-CD 3.37Å; P552-H562 PolarHBondContact O-NE2 3.04Å; P552-H562 VanDerWaalsContact O-NE2 3.12Å
553	D	97.9	Very high	96.2	Very high	82 Å²	82	46 Å²	46	44%	0.439	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-11.5	176.5	65.2	-44.8	0	0	0	113.5	N464 W465 T551	N464-D553 WeakPolarHBondContact CA-OD1 3.37Å; N464-D553 HydrophobicContact CB-CB 4.38Å; N464-D553 WeakPolarHBondContact CB-OD2 3.38Å; W465-D553 VanDerWaalsContact N-CG 3.33Å; W465-D553 PolarHBondContact N-OD1 3.48Å; W465-D553 PolarHBondContact N-OD2 3.2Å; W465-D553 VanDerWaalsContact N-OD2 3.09Å; T551-D553 VanDerWaalsContact CB-OD1 3.28Å; T551-D553 WeakPolarHBondContact CB-OD1 3.41Å; T551-D553 PolarHBondContact O-N 3.24Å; T551-D553 PolarHBondContact OG1-OD1 3.15Å
554	Q	97.1	Very high	96.2	Very high	58 Å²	58	40.5 Å²	40.5	27%	0.271	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-138.8	100.3	177.6	-67	-166.3	34.7	0	0	111.1	W465 S550 T551 H556	W465-Q554 HydrophobicContact CB-CG 4.13Å; W465-Q554 VanDerWaalsContact CB-NE2 3.33Å; W465-Q554 HydrophobicContact CE3-CB 4.07Å; W465-Q554 HydrophobicContact CE3-CG 4.48Å; W465-Q554 HydrophobicContact CG-CG 4.44Å; S550-Q554 WeakPolarHBondContact CA-O 3.25Å; T551-Q554 PolarHBondContact N-O 3.17Å; T551-Q554 CarbonylContact O-C 3.6Å; T551-Q554 VanDerWaalsContact O-C 3.25Å; T551-Q554 PolarHBondContact O-N 3.13Å; T551-Q554 PolarHBondContact OG1-N 3.01Å; Q554-H556 PolarHBondContact OE1-CE1 3.4Å
555	D	97.6	Very high	96.1	Very high	73 Å²	73	43.9 Å²	43.9	39%	0.39	26%	0.257	S	S	.	.			trans	-84	112.5	178	-161.7	-1.2	0	0	0	111.7	D557 H562	D555-D557 PolarHBondContact OD1-N 2.86Å; D555-D557 VanDerWaalsContact OD1-N 3.11Å; D555-H562 VanDerWaalsContact CB-CE1 3.49Å; D555-H562 WeakPolarHBondContact CB-CE1 3.43Å; D555-H562 VanDerWaalsContact CG-ND1 3.26Å; D555-H562 IonicContact OD1-ND1 2.76Å; D555-H562 WeakPolarHBondContact OD2-CA 3.32Å; D555-H562 IonicContact OD2-CE1 2.76Å; D555-H562 IonicContact OD2-CG 3.93Å; D555-H562 IonicContact OD2-ND1 3.16Å; D555-H562 PolarHBondContact OD2-ND1 3.49Å
556	H	96.6	Very high	96	Very high	46 Å²	46	45.2 Å²	45.2	21%	0.213	27%	0.266	C	S	.	.			trans	-122.1	14.2	173	-50.5	126.4	0	0	0	111.7	W465 K524 P548 F549 S550 Q554	W465-H556 AromaticContact CH2-CE1 3.94Å; W465-H556 AromaticContact CZ3-CE1 3.58Å; W465-H556 AromaticContact CZ3-ND1 3.71Å; K524-H556 PolarHBondContact NZ-NE2 3.18Å; P548-H556 HydrophobicContact CB-CB 3.87Å; P548-H556 HydrophobicContact CG-CB 3.57Å; P548-H556 WeakPolarHBondContact CG-O 3.48Å; F549-H556 PolarHBondContact O-ND1 2.98Å; S550-H556 VanDerWaalsContact OG-C 3.23Å; S550-H556 WeakPolarHBondContact OG-CA 3.42Å; S550-H556 PolarHBondContact OG-N 2.89Å; Q554-H556 PolarHBondContact OE1-CE1 3.4Å
557	D	96.2	Very high	95.9	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.112	25%	0.249	C	C	.	.			trans	-76.2	167.9	-175.1	73.7	48.4	0	0	0	112.6	S550 D555 S559 C563 F573	S550-D557 PolarHBondContact OG-N 2.76Å; D555-D557 PolarHBondContact OD1-N 2.86Å; D555-D557 VanDerWaalsContact OD1-N 3.11Å; D557-S559 VanDerWaalsContact C-N 3.31Å; D557-S559 WeakPolarHBondContact OD1-CA 3.33Å; D557-S559 WeakPolarHBondContact OD1-CB 3.4Å; D557-S559 PolarHBondContact OD1-N 2.91Å; D557-C563 WeakPolarHBondContact OD2-CB 3.2Å; D557-C563 PolarHBondContact OD2-N 3.37Å; D557-C563 PolarHBondContact OD2-SG 3.31Å; D557-C563 VanDerWaalsContact OD2-SG 3.36Å; D557-F573 HydrophobicContact CB-CB 3.58Å
558	A	92.9	Very high	95.7	Very high	57 Å²	57	47 Å²	47	47%	0.471	26%	0.259	S	S	.	.	S	Bend	trans	-95.2	15.2	179.1	0	0	0	0	0	112.3	M547 T574 H575	M547-A558 HydrophobicContact CE-CB 3.58Å; A558-T574 CarbonylContact C-O 3.54Å; A558-T574 PolarHBondContact N-O 3.33Å; A558-H575 PolarHBondContact O-ND1 2.9Å
559	S	93.6	Very high	95.6	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.154	25%	0.25	C	C	.	.	S	Bend	trans	-96.3	161.2	179.8	-165.6	0	0	0	0	111.5	D557 T561 C563 T574	D557-S559 VanDerWaalsContact C-N 3.31Å; D557-S559 WeakPolarHBondContact OD1-CA 3.33Å; D557-S559 WeakPolarHBondContact OD1-CB 3.4Å; D557-S559 PolarHBondContact OD1-N 2.91Å; S559-T561 VanDerWaalsContact C-N 3.26Å; S559-T561 WeakPolarHBondContact CB-O 2.96Å; S559-T561 PolarHBondContact OG-N 2.94Å; S559-T561 PolarHBondContact OG-OG1 3.03Å; S559-C563 WeakPolarHBondContact CB-SG 3.4Å; S559-T574 PolarHBondContact N-O 2.9Å
560	S	91.4	Very high	95.6	Very high	117 Å²	117	45.6 Å²	45.6	82%	0.818	25%	0.25	S	C	*	.	S	Bend	trans	-80.8	-12.3	164.8	56.9	0	0	0	0	112.4
561	T	91.4	Very high	95.6	Very high	73 Å²	73	45.6 Å²	45.6	45%	0.448	25%	0.25	S	C	.	.	S	Bend	trans	-105	139.8	177.8	58.4	0	0	0	0	110.2	S559 C563 C576	S559-T561 VanDerWaalsContact C-N 3.26Å; S559-T561 WeakPolarHBondContact CB-O 2.96Å; S559-T561 PolarHBondContact OG-N 2.94Å; S559-T561 PolarHBondContact OG-OG1 3.03Å; T561-C563 PolarHBondContact O-N 3.38Å; T561-C563 PolarHBondContact O-SG 3.45Å; T561-C576 PolarHBondContact OG1-SG 3.31Å
562	H	92.8	Very high	95.6	Very high	59 Å²	59	45.6 Å²	45.6	27%	0.273	25%	0.25	S	C	.	.			trans	-72.2	90.2	176.3	-170	9.9	0	0	0	111.8	T551 P552 D555 A564 N565 F566	T551-H562 PolarHBondContact O-CE1 3.43Å; P552-H562 PolarHBondContact O-NE2 3.04Å; P552-H562 VanDerWaalsContact O-NE2 3.12Å; D555-H562 VanDerWaalsContact CB-CE1 3.49Å; D555-H562 WeakPolarHBondContact CB-CE1 3.43Å; D555-H562 VanDerWaalsContact CG-ND1 3.26Å; D555-H562 IonicContact OD1-ND1 2.76Å; D555-H562 WeakPolarHBondContact OD2-CA 3.32Å; D555-H562 IonicContact OD2-CE1 2.76Å; D555-H562 IonicContact OD2-CG 3.93Å; D555-H562 IonicContact OD2-ND1 3.16Å; D555-H562 PolarHBondContact OD2-ND1 3.49Å; H562-A564 PolarHBondContact O-N 3.25Å; H562-N565 HydrophobicContact CB-CB 4.28Å; H562-N565 PolarHBondContact O-N 2.97Å; H562-F566 PolarHBondContact O-N 2.89Å
563	C	96.2	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-39.2	-168	-58.7	0	0	0	0	112.1	D557 S559 T561 N565 F566 Y567 F573 C576	D557-C563 WeakPolarHBondContact OD2-CB 3.2Å; D557-C563 PolarHBondContact OD2-N 3.37Å; D557-C563 PolarHBondContact OD2-SG 3.31Å; D557-C563 VanDerWaalsContact OD2-SG 3.36Å; S559-C563 WeakPolarHBondContact CB-SG 3.4Å; T561-C563 PolarHBondContact O-N 3.38Å; T561-C563 PolarHBondContact O-SG 3.45Å; C563-N565 VanDerWaalsContact C-N 3.27Å; C563-N565 PolarHBondContact O-N 3.17Å; C563-F566 PolarHBondContact O-N 2.87Å; C563-Y567 HydrophobicContact CB-CD2 4.3Å; C563-Y567 HydrophobicContact CB-CE2 4.44Å; C563-Y567 VanDerWaalsContact O-CD2 3.26Å; C563-Y567 WeakPolarHBondContact O-CD2 3.22Å; C563-Y567 PolarHBondContact O-N 2.62Å; C563-F573 HydrophobicContact CB-CB 4.09Å; C563-F573 HydrophobicContact CB-CD1 3.75Å; C563-F573 HydrophobicContact CB-CD2 4.25Å; C563-F573 HydrophobicContact CB-CE1 4.19Å; C563-F573 HydrophobicContact CB-CG 3.77Å; C563-C576 HydrophobicContact CB-CB 3.81Å; C563-C576 WeakPolarHBondContact CB-SG 3.11Å; C563-C576 WeakPolarHBondContact SG-CA 3.41Å; C563-C576 WeakPolarHBondContact SG-CB 3.32Å; C563-C576 PolarHBondContact SG-N 2.95Å; C563-C576 CovalentContact SG-SG 2.04Å; C563-C576 PolarHBondContact SG-SG 2.98Å
564	A	96.5	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-38.8	178.2	0	0	0	0	0	112.3	T551 H562 E568 S569 F573	T551-A564 VanDerWaalsContact C-CB 3.42Å; H562-A564 PolarHBondContact O-N 3.25Å; A564-E568 WeakPolarHBondContact O-CA 3.32Å; A564-E568 PolarHBondContact O-N 3.34Å; A564-S569 CarbonylContact C-O 3.51Å; A564-S569 WeakPolarHBondContact CA-O 3.32Å; A564-S569 VanDerWaalsContact CB-O 3.3Å; A564-S569 WeakPolarHBondContact CB-O 3.4Å; A564-S569 PolarHBondContact O-N 3.3Å; A564-F573 VanDerWaalsContact CA-CE2 3.45Å; A564-F573 HydrophobicContact CB-CD2 4.17Å; A564-F573 HydrophobicContact CB-CE2 3.65Å
565	N	94.9	Very high	95.2	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-71.8	-42.5	175.3	-168.6	39.5	0	0	0	111.8	Y462 H562 C563 E568	Y462-N565 PolarHBondContact OH-OD1 3.29Å; H562-N565 HydrophobicContact CB-CB 4.28Å; H562-N565 PolarHBondContact O-N 2.97Å; C563-N565 VanDerWaalsContact C-N 3.27Å; C563-N565 PolarHBondContact O-N 3.17Å; N565-E568 PolarHBondContact O-N 2.65Å
566	F	94.3	Very high	94.9	Very high	134 Å²	134	42.9 Å²	42.9	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	-65.1	-43.4	-179.2	-176.1	-93.8	0	0	0	113.5	H562 C563 E568 I587	H562-F566 PolarHBondContact O-N 2.89Å; C563-F566 PolarHBondContact O-N 2.87Å; F566-E568 VanDerWaalsContact C-N 3.28Å; F566-I587 WeakPolarHBondContact O-CD1 3.43Å
567	Y	94.7	Very high	94.7	Very high	44 Å²	44	41.3 Å²	41.3	17%	0.173	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4.4	178.5	-63.6	-68.7	0	0	0	113.7	C563 S569 F573 C576 Q577 N584	C563-Y567 HydrophobicContact CB-CD2 4.3Å; C563-Y567 HydrophobicContact CB-CE2 4.44Å; C563-Y567 VanDerWaalsContact O-CD2 3.26Å; C563-Y567 WeakPolarHBondContact O-CD2 3.22Å; C563-Y567 PolarHBondContact O-N 2.62Å; Y567-S569 VanDerWaalsContact C-N 3.34Å; Y567-S569 PolarHBondContact O-N 2.91Å; Y567-S569 PolarHBondContact O-OG 2.77Å; Y567-F573 AromaticContact CD2-CE1 3.94Å; Y567-F573 HydrophobicContact CD2-CE1 3.94Å; Y567-C576 HydrophobicContact CE2-CB 3.71Å; Y567-Q577 HydrophobicContact CD2-CG 4.42Å; Y567-Q577 HydrophobicContact CE1-CG 4.46Å; Y567-Q577 HydrophobicContact CE2-CG 4.02Å; Y567-Q577 VanDerWaalsContact CG-OE1 3.29Å; Y567-N584 PolarHBondContact O-N 3.38Å
568	E	95.2	Very high	94.6	Very high	78 Å²	78	41.2 Å²	41.2	36%	0.364	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	47.9	178.8	-59.5	-177.9	165.1	0	0	113.1	F461 Y462 A564 N565 F566 N584	F461-E568 CarbonylContact C-O 3.57Å; Y462-E568 WeakPolarHBondContact CA-O 3.44Å; Y462-E568 HydrophobicContact CD2-CB 3.71Å; Y462-E568 HydrophobicContact CD2-CG 4.2Å; Y462-E568 HydrophobicContact CE2-CB 4.37Å; Y462-E568 HydrophobicContact CE2-CG 4.43Å; Y462-E568 HydrophobicContact CG-CB 4.08Å; Y462-E568 PolarHBondContact N-O 3.07Å; A564-E568 WeakPolarHBondContact O-CA 3.32Å; A564-E568 PolarHBondContact O-N 3.34Å; N565-E568 PolarHBondContact O-N 2.65Å; F566-E568 VanDerWaalsContact C-N 3.28Å; E568-N584 HydrophobicContact CB-CB 4.21Å; E568-N584 PolarHBondContact OE2-ND2 3.3Å
569	S	96.9	Very high	94.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-159.8	156.3	-174.5	61.8	0	0	0	0	113.3	A564 Y567 F573 N580 N582 G583	A564-S569 CarbonylContact C-O 3.51Å; A564-S569 WeakPolarHBondContact CA-O 3.32Å; A564-S569 VanDerWaalsContact CB-O 3.3Å; A564-S569 WeakPolarHBondContact CB-O 3.4Å; A564-S569 PolarHBondContact O-N 3.3Å; Y567-S569 VanDerWaalsContact C-N 3.34Å; Y567-S569 PolarHBondContact O-N 2.91Å; Y567-S569 PolarHBondContact O-OG 2.77Å; S569-F573 WeakPolarHBondContact O-CE2 3.34Å; S569-N580 PolarHBondContact OG-ND2 3.23Å; S569-N582 WeakPolarHBondContact CB-O 3.27Å; S569-G583 WeakPolarHBondContact OG-CA 3.48Å
570	G	97.8	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.			trans	-90.5	132.7	165.2	0	0	0	0	0	112.5	Y468 F549 S550 N582	Y468-G570 VanDerWaalsContact CE2-N 3.32Å; Y468-G570 VanDerWaalsContact CZ-CA 3.47Å; Y468-G570 VanDerWaalsContact CZ-N 3.27Å; Y468-G570 PolarHBondContact OH-N 3.49Å; Y468-G570 PolarHBondContact OH-O 3.38Å; F549-G570 WeakPolarHBondContact CZ-O 3.4Å; S550-G570 CarbonylContact O-C 3.6Å; S550-G570 WeakPolarHBondContact O-CA 3.48Å; G570-N582 WeakPolarHBondContact O-CB 3.33Å; G570-N582 PolarHBondContact O-ND2 2.75Å
571	W	98.2	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-162.7	172.2	-179.2	-159.4	-116.6	0	0	0	112.3	W480 F541 S550 F573 V579 N580 L581 N582 M607	W480-W571 HydrophobicContact CH2-CZ3 4.3Å; W480-W571 HydrophobicContact CZ3-CZ3 4.2Å; F541-W571 HydrophobicContact CD2-CZ2 4.04Å; F541-W571 HydrophobicContact CE2-CH2 4.14Å; F541-W571 AromaticContact CE2-CZ2 3.52Å; F541-W571 HydrophobicContact CE2-CZ2 3.52Å; S550-W571 PolarHBondContact N-O 2.84Å; S550-W571 PolarHBondContact O-N 2.89Å; S550-W571 VanDerWaalsContact O-N 3.11Å; W571-F573 VanDerWaalsContact C-N 3.3Å; W571-F573 HydrophobicContact CB-CD1 4.33Å; W571-F573 HydrophobicContact CB-CD2 3.89Å; W571-F573 HydrophobicContact CB-CE1 3.96Å; W571-F573 HydrophobicContact CB-CE2 3.48Å; W571-F573 VanDerWaalsContact CB-CE2 3.48Å; W571-F573 HydrophobicContact CB-CG 4.31Å; W571-F573 HydrophobicContact CB-CZ 3.52Å; W571-F573 WeakPolarHBondContact O-CD2 3.46Å; W571-F573 PolarHBondContact O-N 2.82Å; W571-F573 VanDerWaalsContact O-N 3.15Å; W571-V579 VanDerWaalsContact CD1-O 3.3Å; W571-V579 HydrophobicContact CZ2-CG1 4.12Å; W571-V579 PolarHBondContact NE1-O 3.37Å; W571-N580 HydrophobicContact CG-CB 4.47Å; W571-L581 HydrophobicContact CH2-CB 3.93Å; W571-L581 HydrophobicContact CH2-CD1 4.21Å; W571-L581 HydrophobicContact CH2-CG 4.01Å; W571-L581 HydrophobicContact CZ2-CB 4.49Å; W571-L581 HydrophobicContact CZ2-CG 4.26Å; W571-L581 HydrophobicContact CZ3-CB 4.33Å; W571-N582 HydrophobicContact CE3-CB 4.1Å; W571-M607 HydrophobicContact CH2-CE 4.21Å; W571-M607 HydrophobicContact CH2-SD 3.7Å; W571-M607 HydrophobicContact CZ3-SD 4.09Å
572	W	98.3	Very high	95.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.			trans	-84.7	62.7	174.4	-63.1	-75	0	0	0	112	W480 F516 I518 Y525 L527 F541 H544 M547 P548 F549	W480-W572 AromaticContact CH2-CH2 3.82Å; W480-W572 HydrophobicContact CH2-CH2 3.82Å; W480-W572 HydrophobicContact CH2-CZ3 4.19Å; W480-W572 HydrophobicContact CZ2-CH2 4.15Å; F516-W572 HydrophobicContact CE2-CH2 4.19Å; F516-W572 HydrophobicContact CZ-CH2 4.02Å; I518-W572 HydrophobicContact CG2-CH2 4.29Å; I518-W572 HydrophobicContact CG2-CZ2 3.57Å; Y525-W572 PolarHBondContact O-NE1 3.44Å; L527-W572 HydrophobicContact CB-CB 4.26Å; L527-W572 HydrophobicContact CB-CD2 3.84Å; L527-W572 HydrophobicContact CB-CG 3.63Å; L527-W572 HydrophobicContact CD1-CD2 4.29Å; L527-W572 HydrophobicContact CD1-CE3 4.41Å; L527-W572 HydrophobicContact CD1-CZ2 4.4Å; L527-W572 HydrophobicContact CD2-CB 4.31Å; L527-W572 HydrophobicContact CD2-CD2 4.04Å; L527-W572 HydrophobicContact CD2-CE3 4.08Å; L527-W572 HydrophobicContact CD2-CG 4.17Å; L527-W572 HydrophobicContact CG-CD2 4.28Å; L527-W572 HydrophobicContact CG-CG 4.43Å; F541-W572 HydrophobicContact CE2-CE3 4.22Å; F541-W572 HydrophobicContact CE2-CZ3 4.41Å; F541-W572 HydrophobicContact CZ-CE3 4.26Å; F541-W572 HydrophobicContact CZ-CZ3 4.19Å; H544-W572 HydrophobicContact CB-CB 4.1Å; H544-W572 PolarHBondContact ND1-O 3.37Å; M547-W572 HydrophobicContact CB-CB 4.15Å; M547-W572 VanDerWaalsContact O-CD1 3.25Å; P548-W572 WeakPolarHBondContact O-CA 3.25Å; F549-W572 AromaticContact CD2-CD1 3.83Å; F549-W572 AromaticContact CD2-CD2 3.81Å; F549-W572 HydrophobicContact CD2-CD2 3.81Å; F549-W572 AromaticContact CD2-CE2 3.49Å; F549-W572 VanDerWaalsContact CD2-CE2 3.49Å; F549-W572 HydrophobicContact CD2-CE3 4.46Å; F549-W572 HydrophobicContact CD2-CG 4.02Å; F549-W572 AromaticContact CD2-CZ2 3.85Å; F549-W572 HydrophobicContact CD2-CZ2 3.85Å; F549-W572 AromaticContact CD2-NE1 3.54Å; F549-W572 HydrophobicContact CE2-CD2 4.24Å; F549-W572 HydrophobicContact CE2-CE3 4.45Å; F549-W572 HydrophobicContact CE2-CH2 4.32Å; F549-W572 HydrophobicContact CE2-CZ2 4.08Å
573	F	97.9	Very high	95.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.			trans	-66.2	137.4	-172.5	-63.1	-78.9	0	0	0	113.2	M547 D557 C563 A564 Y567 S569 W571 C576 Q577	M547-F573 WeakPolarHBondContact CE-O 3.24Å; D557-F573 HydrophobicContact CB-CB 3.58Å; C563-F573 HydrophobicContact CB-CB 4.09Å; C563-F573 HydrophobicContact CB-CD1 3.75Å; C563-F573 HydrophobicContact CB-CD2 4.25Å; C563-F573 HydrophobicContact CB-CE1 4.19Å; C563-F573 HydrophobicContact CB-CG 3.77Å; A564-F573 VanDerWaalsContact CA-CE2 3.45Å; A564-F573 HydrophobicContact CB-CD2 4.17Å; A564-F573 HydrophobicContact CB-CE2 3.65Å; Y567-F573 AromaticContact CD2-CE1 3.94Å; Y567-F573 HydrophobicContact CD2-CE1 3.94Å; S569-F573 WeakPolarHBondContact O-CE2 3.34Å; W571-F573 VanDerWaalsContact C-N 3.3Å; W571-F573 HydrophobicContact CB-CD1 4.33Å; W571-F573 HydrophobicContact CB-CD2 3.89Å; W571-F573 HydrophobicContact CB-CE1 3.96Å; W571-F573 HydrophobicContact CB-CE2 3.48Å; W571-F573 VanDerWaalsContact CB-CE2 3.48Å; W571-F573 HydrophobicContact CB-CG 4.31Å; W571-F573 HydrophobicContact CB-CZ 3.52Å; W571-F573 WeakPolarHBondContact O-CD2 3.46Å; W571-F573 PolarHBondContact O-N 2.82Å; W571-F573 VanDerWaalsContact O-N 3.15Å; F573-C576 CarbonylContact C-O 3.59Å; F573-C576 WeakPolarHBondContact CA-O 3.23Å; F573-C576 WeakPolarHBondContact CB-O 3.46Å; F573-C576 WeakPolarHBondContact CD1-O 3.3Å; F573-Q577 HydrophobicContact CD1-CB 4.18Å; F573-Q577 HydrophobicContact CE1-CB 4.3Å
574	T	93.8	Very high	95.2	Very high	29 Å²	29	27.3 Å²	27.3	18%	0.178	13%	0.132	C	C	.	.	S	Bend	trans	-91.5	-118.8	169	52.2	0	0	0	0	109.4	H543 M547 A558 S559 C576	H543-T574 WeakPolarHBondContact O-CG2 3.2Å; M547-T574 HydrophobicContact CG-CG2 3.4Å; M547-T574 HydrophobicContact SD-CG2 3.95Å; A558-T574 CarbonylContact C-O 3.54Å; A558-T574 PolarHBondContact N-O 3.33Å; S559-T574 PolarHBondContact N-O 2.9Å; T574-C576 PolarHBondContact N-O 3.38Å; T574-C576 PolarHBondContact O-N 3.34Å
575	H	92.7	Very high	94.6	Very high	137 Å²	137	28.7 Å²	28.7	63%	0.634	14%	0.138	S	C	*	.	S	Bend	trans	-79.2	65.9	159.6	-133.8	69.1	0	0	0	107.7	A558	A558-H575 PolarHBondContact O-ND1 2.9Å
576	C	91.6	Very high	93.9	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.095	15%	0.151	C	C	.	.	S	Bend	trans	67.9	-115.3	-161.7	-60.4	0	0	0	0	114.7	T561 C563 Y567 F573 T574	T561-C576 PolarHBondContact OG1-SG 3.31Å; C563-C576 HydrophobicContact CB-CB 3.81Å; C563-C576 WeakPolarHBondContact CB-SG 3.11Å; C563-C576 WeakPolarHBondContact SG-CA 3.41Å; C563-C576 WeakPolarHBondContact SG-CB 3.32Å; C563-C576 PolarHBondContact SG-N 2.95Å; C563-C576 CovalentContact SG-SG 2.04Å; C563-C576 PolarHBondContact SG-SG 2.98Å; Y567-C576 HydrophobicContact CE2-CB 3.71Å; F573-C576 CarbonylContact C-O 3.59Å; F573-C576 WeakPolarHBondContact CA-O 3.23Å; F573-C576 WeakPolarHBondContact CB-O 3.46Å; F573-C576 WeakPolarHBondContact CD1-O 3.3Å; T574-C576 PolarHBondContact N-O 3.38Å; T574-C576 PolarHBondContact O-N 3.34Å
577	Q	90.8	Very high	93.2	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.061	14%	0.144	C	C	.	.			trans	-138.2	130.9	-160.2	61.9	-170.9	26.1	0	0	112.4	Y567 F573 N580 I590 W599	Y567-Q577 HydrophobicContact CD2-CG 4.42Å; Y567-Q577 HydrophobicContact CE1-CG 4.46Å; Y567-Q577 HydrophobicContact CE2-CG 4.02Å; Y567-Q577 VanDerWaalsContact CG-OE1 3.29Å; F573-Q577 HydrophobicContact CD1-CB 4.18Å; F573-Q577 HydrophobicContact CE1-CB 4.3Å; Q577-N580 HydrophobicContact CB-CB 3.98Å; Q577-N580 HydrophobicContact CG-CB 4.35Å; Q577-N580 VanDerWaalsContact OE1-CG 3.3Å; Q577-N580 PolarHBondContact OE1-ND2 3.34Å; Q577-I590 HydrophobicContact CG-CD1 4.01Å; Q577-I590 VanDerWaalsContact NE2-CD1 3.33Å; Q577-W599 WeakPolarHBondContact O-CH2 3.39Å; Q577-W599 WeakPolarHBondContact O-CZ3 3.38Å
578	T	94.6	Very high	92.7	Very high	18 Å²	18	27.6 Å²	27.6	11%	0.11	14%	0.136	C	C	.	.	S	Bend	trans	-96.7	-20.6	154.6	56.7	0	0	0	0	111.3	S540 H543 H544 L592	S540-T578 PolarHBondContact O-OG1 2.82Å; H543-T578 HydrophobicContact CB-CG2 4.07Å; H544-T578 PolarHBondContact NE2-OG1 3.49Å; T578-L592 HydrophobicContact CG2-CD2 4.13Å; T578-L592 WeakPolarHBondContact O-CB 3.34Å; T578-L592 PolarHBondContact O-N 2.71Å
579	V	96.6	Very high	92.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.9	175.9	174.8	0	0	0	0	105.2	F541 H544 W571 L581 I590 W591	F541-V579 HydrophobicContact CB-CG2 4.26Å; F541-V579 HydrophobicContact CD2-CB 4.41Å; F541-V579 HydrophobicContact CD2-CG1 4.24Å; H544-V579 PolarHBondContact NE2-N 3.27Å; H544-V579 VanDerWaalsContact NE2-N 3.19Å; H544-V579 PolarHBondContact NE2-O 2.87Å; W571-V579 VanDerWaalsContact CD1-O 3.3Å; W571-V579 HydrophobicContact CZ2-CG1 4.12Å; W571-V579 PolarHBondContact NE1-O 3.37Å; V579-L581 HydrophobicContact CG1-CD2 3.97Å; V579-L581 HydrophobicContact CG1-CG 3.94Å; V579-I590 WeakPolarHBondContact CA-O 3.41Å; V579-W591 HydrophobicContact CB-CD2 4.49Å; V579-W591 HydrophobicContact CB-CE3 4.13Å; V579-W591 HydrophobicContact CB-CZ3 4.44Å; V579-W591 HydrophobicContact CG1-CD2 4.15Å; V579-W591 HydrophobicContact CG1-CE3 3.36Å; V579-W591 HydrophobicContact CG1-CZ3 3.6Å; V579-W591 HydrophobicContact CG2-CD2 3.57Å; V579-W591 HydrophobicContact CG2-CE3 3.6Å; V579-W591 HydrophobicContact CG2-CG 4.04Å; V579-W591 HydrophobicContact CG2-CH2 4.27Å; V579-W591 HydrophobicContact CG2-CZ2 4.25Å; V579-W591 HydrophobicContact CG2-CZ3 3.95Å
580	N	97	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	104.6	166.7	176.7	6.3	0	0	0	108.4	S569 W571 Q577 N582 G583 G588 M589 I590	S569-N580 PolarHBondContact OG-ND2 3.23Å; W571-N580 HydrophobicContact CG-CB 4.47Å; Q577-N580 HydrophobicContact CB-CB 3.98Å; Q577-N580 HydrophobicContact CG-CB 4.35Å; Q577-N580 VanDerWaalsContact OE1-CG 3.3Å; Q577-N580 PolarHBondContact OE1-ND2 3.34Å; N580-N582 VanDerWaalsContact C-N 3.34Å; N580-N582 PolarHBondContact OD1-N 2.84Å; N580-G583 WeakPolarHBondContact ND2-CA 3.33Å; N580-G583 PolarHBondContact OD1-N 2.86Å; N580-G588 WeakPolarHBondContact CB-O 3.39Å; N580-M589 CarbonylContact O-C 3.57Å; N580-M589 VanDerWaalsContact O-CA 3.24Å; N580-M589 WeakPolarHBondContact O-CA 3.45Å; N580-I590 PolarHBondContact N-O 2.91Å; N580-I590 PolarHBondContact O-N 3.14Å
581	L	97.3	Very high	92.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-89.1	-8.1	-178.2	-54	-179	0	0	0	112.5	Q452 I499 T501 W571 V579 W591 M602 T605 M607	Q452-L581 PolarHBondContact NE2-O 2.95Å; I499-L581 HydrophobicContact CD1-CD1 4.3Å; I499-L581 HydrophobicContact CG2-CD1 3.52Å; T501-L581 HydrophobicContact CG2-CD2 4.37Å; W571-L581 HydrophobicContact CH2-CB 3.93Å; W571-L581 HydrophobicContact CH2-CD1 4.21Å; W571-L581 HydrophobicContact CH2-CG 4.01Å; W571-L581 HydrophobicContact CZ2-CB 4.49Å; W571-L581 HydrophobicContact CZ2-CG 4.26Å; W571-L581 HydrophobicContact CZ3-CB 4.33Å; V579-L581 HydrophobicContact CG1-CD2 3.97Å; V579-L581 HydrophobicContact CG1-CG 3.94Å; L581-W591 HydrophobicContact CD2-CE3 4.15Å; L581-M602 HydrophobicContact CD2-CG 4.37Å; L581-T605 HydrophobicContact CB-CG2 4.19Å; L581-T605 HydrophobicContact CD2-CG2 3.79Å; L581-T605 HydrophobicContact CG-CG2 4.45Å; L581-M607 HydrophobicContact CD1-CG 3.89Å; L581-M607 HydrophobicContact CD1-SD 4Å
582	N	97.2	Very high	92.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-100.4	-10.2	178.9	-73.6	-13	0	0	0	112.7	Q452 R454 F461 W480 S569 G570 W571 N580	Q452-N582 WeakPolarHBondContact CG-OD1 3.47Å; Q452-N582 PolarHBondContact NE2-OD1 3.39Å; R454-N582 VanDerWaalsContact NH1-C 3.34Å; R454-N582 PolarHBondContact NH1-O 3.2Å; F461-N582 WeakPolarHBondContact CB-O 3.43Å; F461-N582 HydrophobicContact CD1-CB 3.87Å; W480-N582 WeakPolarHBondContact CZ3-ND2 3.42Å; S569-N582 WeakPolarHBondContact CB-O 3.27Å; G570-N582 WeakPolarHBondContact O-CB 3.33Å; G570-N582 PolarHBondContact O-ND2 2.75Å; W571-N582 HydrophobicContact CE3-CB 4.1Å; N580-N582 VanDerWaalsContact C-N 3.34Å; N580-N582 PolarHBondContact OD1-N 2.84Å
583	G	93.5	Very high	92.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-53.3	158.1	-179	0	0	0	0	0	113.9	R454 S569 N580 F585	R454-G583 PolarHBondContact NH1-O 2.96Å; R454-G583 PolarHBondContact NH2-O 3.12Å; S569-G583 WeakPolarHBondContact OG-CA 3.48Å; N580-G583 WeakPolarHBondContact ND2-CA 3.33Å; N580-G583 PolarHBondContact OD1-N 2.86Å; G583-F585 PolarHBondContact O-N 2.92Å
584	N	90.2	Very high	91.7	Very high	36 Å²	36	29.6 Å²	29.6	19%	0.193	15%	0.154	C	C	.	.			trans	-53.9	136.5	168.6	-179.5	-52	0	0	0	109.7	Y567 E568 H586 I587 G588 M589	Y567-N584 PolarHBondContact O-N 3.38Å; E568-N584 HydrophobicContact CB-CB 4.21Å; E568-N584 PolarHBondContact OE2-ND2 3.3Å; N584-H586 PolarHBondContact O-N 3.49Å; N584-H586 PolarHBondContact OD1-CD2 3Å; N584-H586 PolarHBondContact OD1-N 2.97Å; N584-I587 HydrophobicContact CB-CG1 3.91Å; N584-I587 PolarHBondContact O-N 3.45Å; N584-G588 WeakPolarHBondContact O-CA 3.35Å; N584-G588 PolarHBondContact O-N 3.04Å; N584-M589 PolarHBondContact O-N 3.25Å; N584-M589 VanDerWaalsContact O-N 3.1Å
585	F	83	Confident	91.4	Very high	29 Å²	29	33.7 Å²	33.7	13%	0.127	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.3	-178.1	-91.3	-93.5	0	0	0	113.8	R454 S456 N457 G583 M589 Q601 K603	R454-F585 HydrophobicContact CB-CZ 4.39Å; R454-F585 VanDerWaalsContact NE-CE2 3.34Å; S456-F585 WeakPolarHBondContact O-CE2 3.31Å; S456-F585 WeakPolarHBondContact O-CZ 3.38Å; N457-F585 VanDerWaalsContact CA-CE2 3.41Å; N457-F585 HydrophobicContact CB-CB 4.37Å; N457-F585 HydrophobicContact CB-CD2 3.51Å; N457-F585 HydrophobicContact CB-CE2 3.85Å; N457-F585 HydrophobicContact CB-CG 3.9Å; N457-F585 WeakPolarHBondContact OD1-CD2 3.31Å; G583-F585 PolarHBondContact O-N 2.92Å; F585-M589 HydrophobicContact CD1-CE 3.71Å; F585-M589 HydrophobicContact CE1-CE 3.41Å; F585-M589 VanDerWaalsContact CE1-CE 3.41Å; F585-M589 HydrophobicContact CE1-SD 4.32Å; F585-M589 HydrophobicContact CG-CE 4.43Å; F585-M589 HydrophobicContact CZ-CE 3.89Å; F585-M589 HydrophobicContact CZ-SD 4.25Å; F585-Q601 PolarHBondContact O-NE2 2.88Å; F585-K603 WeakPolarHBondContact CE1-O 3.47Å
586	H	81	Confident	91.3	Very high	138 Å²	138	31 Å²	31	64%	0.639	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-29.5	-173.7	-61.9	-62.9	0	0	0	114	N584	N584-H586 PolarHBondContact O-N 3.49Å; N584-H586 PolarHBondContact OD1-CD2 3Å; N584-H586 PolarHBondContact OD1-N 2.97Å
587	I	79.9	Confident	91.2	Very high	87 Å²	87	32.6 Å²	32.6	45%	0.446	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-19.1	-168.8	60.1	168.8	0	0	0	114.6	F566 N584	F566-I587 WeakPolarHBondContact O-CD1 3.43Å; N584-I587 HydrophobicContact CB-CG1 3.91Å; N584-I587 PolarHBondContact O-N 3.45Å
588	G	83.1	Confident	91.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-23.4	-163.9	0	0	0	0	0	115.6	N580 N584 I590	N580-G588 WeakPolarHBondContact CB-O 3.39Å; N584-G588 WeakPolarHBondContact O-CA 3.35Å; N584-G588 PolarHBondContact O-N 3.04Å; G588-I590 VanDerWaalsContact O-CG1 3.24Å; G588-I590 WeakPolarHBondContact O-CG1 3.18Å; G588-I590 PolarHBondContact O-N 3.35Å
589	M	93.7	Very high	91.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.			trans	-81.6	83.1	-174.8	-154.1	173.6	68.4	0	0	111.8	R454 N580 N584 F585 M602 T605	R454-M589 HydrophobicContact CB-SD 3.84Å; R454-M589 HydrophobicContact CG-SD 3.97Å; N580-M589 CarbonylContact O-C 3.57Å; N580-M589 VanDerWaalsContact O-CA 3.24Å; N580-M589 WeakPolarHBondContact O-CA 3.45Å; N584-M589 PolarHBondContact O-N 3.25Å; N584-M589 VanDerWaalsContact O-N 3.1Å; F585-M589 HydrophobicContact CD1-CE 3.71Å; F585-M589 HydrophobicContact CE1-CE 3.41Å; F585-M589 VanDerWaalsContact CE1-CE 3.41Å; F585-M589 HydrophobicContact CE1-SD 4.32Å; F585-M589 HydrophobicContact CG-CE 4.43Å; F585-M589 HydrophobicContact CZ-CE 3.89Å; F585-M589 HydrophobicContact CZ-SD 4.25Å; M589-M602 HydrophobicContact CE-CB 3.88Å; M589-M602 WeakPolarHBondContact CE-O 3.3Å; M589-M602 HydrophobicContact CG-CB 4.1Å; M589-M602 WeakPolarHBondContact O-CB 3.29Å; M589-M602 PolarHBondContact O-N 3.43Å; M589-T605 HydrophobicContact CE-CG2 4.29Å; M589-T605 HydrophobicContact CG-CG2 4.17Å; M589-T605 HydrophobicContact SD-CG2 3.99Å
590	I	95.5	Very high	91	Very high	22 Å²	22	43.4 Å²	43.4	11%	0.113	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.9	-164.1	54.1	136.3	0	0	0	114.1	Q577 V579 N580 G588 W599 L600	Q577-I590 HydrophobicContact CG-CD1 4.01Å; Q577-I590 VanDerWaalsContact NE2-CD1 3.33Å; V579-I590 WeakPolarHBondContact CA-O 3.41Å; N580-I590 PolarHBondContact N-O 2.91Å; N580-I590 PolarHBondContact O-N 3.14Å; G588-I590 VanDerWaalsContact O-CG1 3.24Å; G588-I590 WeakPolarHBondContact O-CG1 3.18Å; G588-I590 PolarHBondContact O-N 3.35Å; I590-W599 HydrophobicContact CD1-CD2 4.16Å; I590-W599 HydrophobicContact CD1-CE3 3.13Å; I590-W599 HydrophobicContact CD1-CH2 4.33Å; I590-W599 HydrophobicContact CD1-CZ3 3.23Å; I590-W599 HydrophobicContact CG1-CE3 4.43Å; I590-L600 CarbonylContact C-O 3.57Å; I590-L600 VanDerWaalsContact CA-O 3.26Å; I590-L600 WeakPolarHBondContact CA-O 3.21Å
591	W	96.2	Very high	90.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	124.1	173	-170.5	-74.5	0	0	0	110.4	I499 A511 L537 T538 F541 V579 L581 L600 M602	I499-W591 HydrophobicContact CD1-CH2 4Å; I499-W591 HydrophobicContact CD1-CZ3 3.84Å; I499-W591 HydrophobicContact CG2-CZ3 3.96Å; A511-W591 HydrophobicContact CB-CH2 3.94Å; A511-W591 HydrophobicContact CB-CZ2 4.13Å; L537-W591 HydrophobicContact CB-CZ2 4.1Å; L537-W591 HydrophobicContact CD1-CD2 4.27Å; L537-W591 HydrophobicContact CD1-CE3 4.36Å; L537-W591 HydrophobicContact CD1-CH2 4.39Å; L537-W591 HydrophobicContact CD1-CZ2 4.27Å; L537-W591 HydrophobicContact CD1-CZ3 4.44Å; L537-W591 HydrophobicContact CD2-CD2 4.49Å; L537-W591 HydrophobicContact CD2-CG 4.37Å; T538-W591 VanDerWaalsContact O-CZ2 3.26Å; T538-W591 WeakPolarHBondContact O-CZ2 3.23Å; T538-W591 PolarHBondContact O-NE1 3.5Å; T538-W591 VanDerWaalsContact O-NE1 3.08Å; F541-W591 HydrophobicContact CB-CH2 3.7Å; F541-W591 HydrophobicContact CB-CZ2 4.3Å; F541-W591 HydrophobicContact CB-CZ3 4.24Å; V579-W591 HydrophobicContact CB-CD2 4.49Å; V579-W591 HydrophobicContact CB-CE3 4.13Å; V579-W591 HydrophobicContact CB-CZ3 4.44Å; V579-W591 HydrophobicContact CG1-CD2 4.15Å; V579-W591 HydrophobicContact CG1-CE3 3.36Å; V579-W591 HydrophobicContact CG1-CZ3 3.6Å; V579-W591 HydrophobicContact CG2-CD2 3.57Å; V579-W591 HydrophobicContact CG2-CE3 3.6Å; V579-W591 HydrophobicContact CG2-CG 4.04Å; V579-W591 HydrophobicContact CG2-CH2 4.27Å; V579-W591 HydrophobicContact CG2-CZ2 4.25Å; V579-W591 HydrophobicContact CG2-CZ3 3.95Å; L581-W591 HydrophobicContact CD2-CE3 4.15Å; W591-L600 PolarHBondContact N-O 3.37Å; W591-L600 WeakPolarHBondContact O-CB 3.43Å; W591-L600 PolarHBondContact O-N 3.49Å; W591-M602 HydrophobicContact CB-CE 3.67Å; W591-M602 HydrophobicContact CB-SD 4.39Å
592	L	95.9	Very high	90.7	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.173	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.1	172.8	-178.9	63.2	0	0	0	109.9	S540 T578 S594 G597 D598 W599	S540-L592 WeakPolarHBondContact CB-O 3.31Å; S540-L592 PolarHBondContact OG-O 3.39Å; T578-L592 HydrophobicContact CG2-CD2 4.13Å; T578-L592 WeakPolarHBondContact O-CB 3.34Å; T578-L592 PolarHBondContact O-N 2.71Å; L592-S594 PolarHBondContact O-N 2.9Å; L592-G597 WeakPolarHBondContact CD1-O 3.32Å; L592-D598 CarbonylContact C-O 3.54Å; L592-W599 HydrophobicContact CB-CD2 4.45Å; L592-W599 HydrophobicContact CB-CE3 3.85Å; L592-W599 HydrophobicContact CB-CH2 4.13Å; L592-W599 HydrophobicContact CB-CZ3 3.69Å; L592-W599 HydrophobicContact CD1-CD2 3.94Å; L592-W599 HydrophobicContact CD1-CE3 4.2Å; L592-W599 HydrophobicContact CD1-CG 4.37Å; L592-W599 HydrophobicContact CD1-CH2 4.4Å; L592-W599 HydrophobicContact CD1-CZ2 4.14Å; L592-W599 HydrophobicContact CD1-CZ3 4.44Å; L592-W599 HydrophobicContact CD2-CH2 4.24Å; L592-W599 HydrophobicContact CD2-CZ2 4.42Å; L592-W599 HydrophobicContact CG-CZ3 4.48Å
593	S	93.5	Very high	90.5	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.021	27%	0.273	C	S	.	.			trans	-80.3	115	170.3	-145.5	0	0	0	0	108.7	T538 D595 T596 G597 D598	T538-S593 WeakPolarHBondContact OG1-CA 3.47Å; S593-D595 VanDerWaalsContact CB-OD1 3.32Å; S593-D595 WeakPolarHBondContact CB-OD1 3.5Å; S593-D595 PolarHBondContact O-N 3.41Å; S593-D595 PolarHBondContact OG-OD1 3.28Å; S593-T596 WeakPolarHBondContact CB-OG1 3.44Å; S593-G597 WeakPolarHBondContact O-CA 3.49Å; S593-G597 PolarHBondContact O-N 3.3Å; S593-D598 PolarHBondContact N-O 3.49Å
594	S	88.6	Confident	90.6	Very high	63 Å²	63	55.6 Å²	55.6	44%	0.441	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.9	-175.3	-33.9	0	0	0	0	112.9	T538 S540 L592	T538-S594 PolarHBondContact OG1-N 2.84Å; T538-S594 PolarHBondContact OG1-OG 3.14Å; S540-S594 PolarHBondContact OG-OG 3.42Å; L592-S594 PolarHBondContact O-N 2.9Å
595	D	87.9	Confident	90.9	Very high	115 Å²	115	54.1 Å²	54.1	62%	0.615	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-42.7	178.8	59	-21.5	0	0	0	112.6	T538 S593	T538-D595 HydrophobicContact CG2-CB 3.8Å; T538-D595 VanDerWaalsContact CG2-OD1 3.23Å; T538-D595 WeakPolarHBondContact CG2-OD1 3.37Å; S593-D595 VanDerWaalsContact CB-OD1 3.32Å; S593-D595 WeakPolarHBondContact CB-OD1 3.5Å; S593-D595 PolarHBondContact O-N 3.41Å; S593-D595 PolarHBondContact OG-OD1 3.28Å
596	T	90.1	Very high	91.6	Very high	80 Å²	80	56.1 Å²	56.1	49%	0.491	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-21.6	178.6	70.2	0	0	0	0	113.7	S593 D598	S593-T596 WeakPolarHBondContact CB-OG1 3.44Å; T596-D598 VanDerWaalsContact C-N 3.28Å; T596-D598 WeakPolarHBondContact CB-OD2 3.5Å; T596-D598 WeakPolarHBondContact OG1-CB 3.43Å; T596-D598 VanDerWaalsContact OG1-CG 3.22Å; T596-D598 PolarHBondContact OG1-N 2.85Å; T596-D598 PolarHBondContact OG1-OD2 2.91Å
597	G	89.6	Confident	92.5	Very high	48 Å²	48	49.6 Å²	49.6	50%	0.495	26%	0.258	S	S	.	.			trans	79.9	5.2	-170.7	0	0	0	0	0	114.1	L592 S593	L592-G597 WeakPolarHBondContact CD1-O 3.32Å; S593-G597 WeakPolarHBondContact O-CA 3.49Å; S593-G597 PolarHBondContact O-N 3.3Å
598	D	91.9	Very high	93.3	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	24%	0.237	S	C	.	.			trans	-83.2	143.5	-175.6	-62.9	-46.6	0	0	0	112.9	L592 S593 T596 L600	L592-D598 CarbonylContact C-O 3.54Å; S593-D598 PolarHBondContact N-O 3.49Å; T596-D598 VanDerWaalsContact C-N 3.28Å; T596-D598 WeakPolarHBondContact CB-OD2 3.5Å; T596-D598 WeakPolarHBondContact OG1-CB 3.43Å; T596-D598 VanDerWaalsContact OG1-CG 3.22Å; T596-D598 PolarHBondContact OG1-N 2.85Å; T596-D598 PolarHBondContact OG1-OD2 2.91Å; D598-L600 PolarHBondContact O-N 3.32Å
599	W	92	Very high	93.9	Very high	139 Å²	139	45.5 Å²	45.5	53%	0.527	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	110.3	168.9	-64.6	96.1	0	0	0	110.2	Q577 I590 L592	Q577-W599 WeakPolarHBondContact O-CH2 3.39Å; Q577-W599 WeakPolarHBondContact O-CZ3 3.38Å; I590-W599 HydrophobicContact CD1-CD2 4.16Å; I590-W599 HydrophobicContact CD1-CE3 3.13Å; I590-W599 HydrophobicContact CD1-CH2 4.33Å; I590-W599 HydrophobicContact CD1-CZ3 3.23Å; I590-W599 HydrophobicContact CG1-CE3 4.43Å; L592-W599 HydrophobicContact CB-CD2 4.45Å; L592-W599 HydrophobicContact CB-CE3 3.85Å; L592-W599 HydrophobicContact CB-CH2 4.13Å; L592-W599 HydrophobicContact CB-CZ3 3.69Å; L592-W599 HydrophobicContact CD1-CD2 3.94Å; L592-W599 HydrophobicContact CD1-CE3 4.2Å; L592-W599 HydrophobicContact CD1-CG 4.37Å; L592-W599 HydrophobicContact CD1-CH2 4.4Å; L592-W599 HydrophobicContact CD1-CZ2 4.14Å; L592-W599 HydrophobicContact CD1-CZ3 4.44Å; L592-W599 HydrophobicContact CD2-CH2 4.24Å; L592-W599 HydrophobicContact CD2-CZ2 4.42Å; L592-W599 HydrophobicContact CG-CZ3 4.48Å
600	L	93.6	Very high	93.8	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.12	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.5	174.6	-54.5	174.9	0	0	0	108.9	L537 I590 W591 D598 M602	L537-L600 HydrophobicContact CD2-CD1 4.35Å; I590-L600 CarbonylContact C-O 3.57Å; I590-L600 VanDerWaalsContact CA-O 3.26Å; I590-L600 WeakPolarHBondContact CA-O 3.21Å; W591-L600 PolarHBondContact N-O 3.37Å; W591-L600 WeakPolarHBondContact O-CB 3.43Å; W591-L600 PolarHBondContact O-N 3.49Å; D598-L600 PolarHBondContact O-N 3.32Å; L600-M602 VanDerWaalsContact C-CE 3.48Å; L600-M602 HydrophobicContact CB-CE 3.2Å; L600-M602 HydrophobicContact CD1-CE 4.43Å; L600-M602 HydrophobicContact CG-CE 4.45Å; L600-M602 WeakPolarHBondContact O-CE 3.47Å
601	Q	93.4	Very high	93.5	Very high	71 Å²	71	49.1 Å²	49.1	33%	0.332	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.4	171.3	-171.5	170.2	15.8	0	0	110.1	D503 I504 F585	D503-Q601 WeakPolarHBondContact CA-O 3.21Å; D503-Q601 WeakPolarHBondContact CB-O 3.49Å; I504-Q601 HydrophobicContact CD1-CB 4.32Å; I504-Q601 HydrophobicContact CG1-CB 4.46Å; I504-Q601 HydrophobicContact CG2-CB 3.96Å; I504-Q601 HydrophobicContact CG2-CG 3.81Å; I504-Q601 PolarHBondContact N-O 3.45Å; I504-Q601 VanDerWaalsContact N-O 3.1Å; F585-Q601 PolarHBondContact O-NE2 2.88Å
602	M	94.5	Very high	92.9	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141	-178.5	-56	-62.9	114.9	0	0	110.4	T501 D503 L581 M589 W591 L600 T605	T501-M602 WeakPolarHBondContact CB-SD 3.5Å; T501-M602 HydrophobicContact CG2-CG 4.49Å; T501-M602 HydrophobicContact CG2-SD 3.72Å; T501-M602 PolarHBondContact OG1-SD 2.86Å; D503-M602 HydrophobicContact CB-CE 4.45Å; L581-M602 HydrophobicContact CD2-CG 4.37Å; M589-M602 HydrophobicContact CE-CB 3.88Å; M589-M602 WeakPolarHBondContact CE-O 3.3Å; M589-M602 HydrophobicContact CG-CB 4.1Å; M589-M602 WeakPolarHBondContact O-CB 3.29Å; M589-M602 PolarHBondContact O-N 3.43Å; W591-M602 HydrophobicContact CB-CE 3.67Å; W591-M602 HydrophobicContact CB-SD 4.39Å; L600-M602 VanDerWaalsContact C-CE 3.48Å; L600-M602 HydrophobicContact CB-CE 3.2Å; L600-M602 HydrophobicContact CD1-CE 4.43Å; L600-M602 HydrophobicContact CG-CE 4.45Å; L600-M602 WeakPolarHBondContact O-CE 3.47Å; M602-T605 HydrophobicContact CB-CG2 3.74Å; M602-T605 HydrophobicContact CG-CG2 4.04Å
603	K	93.3	Very high	92.7	Very high	110 Å²	110	55.3 Å²	55.3	48%	0.478	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-36.8	168.4	-176.9	-178.8	177.9	179.4	0	111.5	V502 D503 F585	V502-K603 WeakPolarHBondContact O-CA 3.46Å; V502-K603 WeakPolarHBondContact O-CB 3.42Å; V502-K603 PolarHBondContact O-N 2.87Å; D503-K603 WeakPolarHBondContact O-CB 3.49Å; F585-K603 WeakPolarHBondContact CE1-O 3.47Å
604	Q	95.8	Very high	92.7	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.341	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.3	176.4	-54.1	-171.9	-20.3	0	0	110.3	R454 T501 V502	R454-Q604 CarbonylContact O-C 3.47Å; R454-Q604 WeakPolarHBondContact O-CA 3.47Å; R454-Q604 WeakPolarHBondContact O-CB 3.42Å; T501-Q604 CarbonylContact C-O 3.6Å; T501-Q604 VanDerWaalsContact CA-O 3.28Å; T501-Q604 WeakPolarHBondContact CA-O 3.42Å; V502-Q604 HydrophobicContact CB-CB 4.14Å; V502-Q604 HydrophobicContact CG2-CB 4.42Å; V502-Q604 PolarHBondContact N-O 3.43Å; V502-Q604 PolarHBondContact O-N 3.28Å
605	T	97.3	Very high	92.9	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.2	177.5	73.4	0	0	0	0	110	Q452 Q453 R454 E500 T501 L581 M589 M602	Q452-T605 PolarHBondContact NE2-OG1 3.14Å; Q452-T605 PolarHBondContact OE1-OG1 3.15Å; Q453-T605 CarbonylContact C-O 3.55Å; Q453-T605 WeakPolarHBondContact CA-O 3.41Å; R454-T605 WeakPolarHBondContact CB-OG1 3.41Å; R454-T605 PolarHBondContact N-O 2.85Å; R454-T605 PolarHBondContact O-N 2.89Å; E500-T605 CarbonylContact O-C 3.53Å; E500-T605 WeakPolarHBondContact O-CA 3.43Å; T501-T605 HydrophobicContact CG2-CG2 4.27Å; L581-T605 HydrophobicContact CB-CG2 4.19Å; L581-T605 HydrophobicContact CD2-CG2 3.79Å; L581-T605 HydrophobicContact CG-CG2 4.45Å; M589-T605 HydrophobicContact CE-CG2 4.29Å; M589-T605 HydrophobicContact CG-CG2 4.17Å; M589-T605 HydrophobicContact SD-CG2 3.99Å; M602-T605 HydrophobicContact CB-CG2 3.74Å; M602-T605 HydrophobicContact CG-CG2 4.04Å
606	R	97.5	Very high	93.2	Very high	71 Å²	71	54.4 Å²	54.4	27%	0.268	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129	171.5	-171.5	-179.9	-64.1	160.7	8	109.1	V450 Q452 Q453 I499 E500	V450-R606 HydrophobicContact CG1-CG 3.68Å; Q452-R606 WeakPolarHBondContact O-CA 3.46Å; Q453-R606 VanDerWaalsContact OE1-CZ 3.28Å; I499-R606 WeakPolarHBondContact CA-O 3.31Å; E500-R606 HydrophobicContact CB-CB 4.37Å; E500-R606 PolarHBondContact N-O 3.22Å; E500-R606 PolarHBondContact O-N 2.95Å
607	M	98.3	Very high	93.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.5	169	-56.7	177.4	69.1	0	0	108.5	I451 Q452 W480 L497 I499 F541 W571 L581	I451-M607 HydrophobicContact CD1-CB 4.2Å; I451-M607 HydrophobicContact CD1-CE 4.48Å; I451-M607 HydrophobicContact CG1-CB 3.74Å; I451-M607 WeakPolarHBondContact CG1-O 3.38Å; I451-M607 PolarHBondContact N-O 3.17Å; Q452-M607 HydrophobicContact CB-CB 3.92Å; Q452-M607 HydrophobicContact CB-CG 4.06Å; Q452-M607 HydrophobicContact CB-SD 4.1Å; Q452-M607 PolarHBondContact N-O 3.22Å; Q452-M607 PolarHBondContact O-N 3.04Å; W480-M607 HydrophobicContact CZ3-SD 4.35Å; L497-M607 HydrophobicContact CD1-CB 4.18Å; L497-M607 HydrophobicContact CD1-CE 4.01Å; L497-M607 HydrophobicContact CD2-CE 4.17Å; I499-M607 HydrophobicContact CD1-CE 4.25Å; I499-M607 HydrophobicContact CG1-CE 4.42Å; I499-M607 HydrophobicContact CG1-CG 4.26Å; F541-M607 HydrophobicContact CZ-CE 4.2Å; W571-M607 HydrophobicContact CH2-CE 4.21Å; W571-M607 HydrophobicContact CH2-SD 3.7Å; W571-M607 HydrophobicContact CZ3-SD 4.09Å; L581-M607 HydrophobicContact CD1-CG 3.89Å; L581-M607 HydrophobicContact CD1-SD 4Å
608	K	96.7	Very high	93.6	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.1	178.1	62.3	-170	-172.4	-164.1	0	111.2	D440 D443 W448 T449 V450 R498 E500	D440-K608 IonicContact OD2-NZ 3Å; D440-K608 PolarHBondContact OD2-NZ 2.77Å; D443-K608 WeakPolarHBondContact OD2-CE 3.41Å; D443-K608 IonicContact OD2-NZ 2.94Å; D443-K608 PolarHBondContact OD2-NZ 3.08Å; W448-K608 HydrophobicContact CB-CB 4.22Å; W448-K608 HydrophobicContact CB-CD 3.9Å; W448-K608 HydrophobicContact CB-CG 4.18Å; W448-K608 HydrophobicContact CD2-CD 4.16Å; W448-K608 HydrophobicContact CD2-CG 3.98Å; W448-K608 HydrophobicContact CE3-CB 4.14Å; W448-K608 HydrophobicContact CE3-CD 4.34Å; W448-K608 HydrophobicContact CE3-CG 3.65Å; W448-K608 HydrophobicContact CG-CD 3.96Å; W448-K608 HydrophobicContact CG-CG 4.22Å; W448-K608 HydrophobicContact CZ3-CG 4.36Å; W448-K608 WeakPolarHBondContact CZ3-O 3.29Å; T449-K608 CarbonylContact O-C 3.54Å; T449-K608 VanDerWaalsContact O-CA 3.23Å; T449-K608 WeakPolarHBondContact O-CA 3.47Å; T449-K608 WeakPolarHBondContact O-CB 3.37Å; V450-K608 HydrophobicContact CB-CB 4.48Å; V450-K608 HydrophobicContact CG2-CB 4.18Å; R498-K608 HydrophobicContact CB-CG 4.12Å; R498-K608 PolarHBondContact N-O 2.86Å; R498-K608 PolarHBondContact O-N 3.26Å; E500-K608 VanDerWaalsContact OE1-CE 3.24Å; E500-K608 WeakPolarHBondContact OE1-CE 3.37Å; E500-K608 IonicContact OE1-NZ 2.75Å; E500-K608 PolarHBondContact OE1-NZ 2.82Å; E500-K608 IonicContact OE2-NZ 2.66Å; E500-K608 PolarHBondContact OE2-NZ 2.95Å
609	I	95.8	Very high	93.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.6	-176.5	65.7	175.8	0	0	0	110.4	W448 T449 I451 L489 T490 Y495 S496 L497 F516	W448-I609 VanDerWaalsContact CE3-C 3.49Å; T449-I609 PolarHBondContact N-O 3.23Å; T449-I609 PolarHBondContact O-N 3.47Å; I451-I609 HydrophobicContact CD1-CG2 3.85Å; I451-I609 HydrophobicContact CG1-CG2 4.44Å; I451-I609 HydrophobicContact CG2-CD1 3.79Å; I451-I609 HydrophobicContact CG2-CG1 3.78Å; I451-I609 HydrophobicContact CG2-CG2 4.36Å; L489-I609 HydrophobicContact CB-CD1 4.24Å; L489-I609 HydrophobicContact CD1-CD1 4.37Å; T490-I609 HydrophobicContact CG2-CD1 3.84Å; Y495-I609 HydrophobicContact CD1-CB 3.91Å; Y495-I609 HydrophobicContact CD1-CD1 3.84Å; Y495-I609 HydrophobicContact CD1-CG1 3.82Å; Y495-I609 HydrophobicContact CE1-CD1 4.19Å; Y495-I609 HydrophobicContact CE1-CG1 4.23Å; Y495-I609 HydrophobicContact CG-CD1 4.44Å; S496-I609 VanDerWaalsContact O-CA 3.23Å; S496-I609 WeakPolarHBondContact O-CA 3.31Å; L497-I609 HydrophobicContact CB-CG2 4.42Å; L497-I609 HydrophobicContact CD1-CG2 3.92Å; F516-I609 HydrophobicContact CD1-CG2 3.58Å; F516-I609 HydrophobicContact CE1-CG2 4Å; F516-I609 HydrophobicContact CG-CG2 4.4Å
610	R	91.6	Very high	93.9	Very high	70 Å²	70	43.3 Å²	43.3	26%	0.264	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.2	177.1	-177.7	171.6	72.7	178.7	3.3	109.6	N444 G446 G447 W448 Y495 S496 S612	N444-R610 PolarHBondContact O-NH1 3Å; G446-R610 WeakPolarHBondContact O-CD 3.06Å; G446-R610 PolarHBondContact O-NH1 2.73Å; G447-R610 WeakPolarHBondContact O-CG 3.41Å; W448-R610 HydrophobicContact CD2-CB 3.72Å; W448-R610 HydrophobicContact CE3-CB 3.44Å; W448-R610 VanDerWaalsContact CE3-CB 3.44Å; W448-R610 HydrophobicContact CG-CB 4.39Å; W448-R610 HydrophobicContact CH2-CB 4.03Å; W448-R610 HydrophobicContact CZ2-CB 4.25Å; W448-R610 HydrophobicContact CZ3-CB 3.62Å; Y495-R610 CarbonylContact C-O 3.46Å; Y495-R610 VanDerWaalsContact CA-O 3.31Å; Y495-R610 WeakPolarHBondContact CA-O 3.42Å; S496-R610 PolarHBondContact N-O 3.04Å; S496-R610 PolarHBondContact O-N 2.73Å; R610-S612 PolarHBondContact O-N 2.95Å
611	P	89.5	Confident	93.9	Very high	29 Å²	29	45 Å²	45	19%	0.188	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	128.6	168.6	-28.9	37.7	0	0	0	110.9	Y495	Y495-P611 HydrophobicContact CD1-CG 4.46Å; Y495-P611 VanDerWaalsContact CE1-CD 3.49Å; Y495-P611 HydrophobicContact CE1-CG 3.77Å
612	S	83.5	Confident	94	Very high	107 Å²	107	42.6 Å²	42.6	75%	0.748	21%	0.213	S	C	*	.			trans	-68.2	0	-178.5	-59.9	0	0	0	0	113.4	K494 Y495 S496 R610	K494-S612 PolarHBondContact O-N 3.15Å; Y495-S612 VanDerWaalsContact C-OG 3.27Å; S496-S612 PolarHBondContact N-OG 3.46Å; S496-S612 VanDerWaalsContact N-OG 3.08Å; S496-S612 PolarHBondContact OG-OG 3.3Å; R610-S612 PolarHBondContact O-N 2.95Å

Retrieved 612 of 612 residues in 729.7 ms (Link to these results)

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