A0A096MYD8_PAPAN Loading...

Atypical kinase COQ8A, mitochondrial

Atypical kinase involved in the biosynthesis of coenzyme Q, also named ubiquinone, an essential lipid-soluble electron transporter for aerobic cellular respiration. Its substrate specificity is still unclear: may act as a protein kinase that mediates phosphorylation of COQ3. According to other reports, acts as a small molecule kinase, possibly a lipid kinase that phosphorylates a prenyl lipid in the ubiquinone biosynthesis pathway, as suggested by its ability to bind coenzyme Q lipid intermediates. However, the small molecule kinase activity was not confirmed by another publication. Shows an unusual selectivity for binding ADP over ATP.

AlphaFold DB , UniProt , Accession A0A096MYD8, Species PAPAN (Papio anubis, Olive baboon), Gene COQ8A, Length 647 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	34.2	Very low	35.6	Very low	204 Å²	204	104.1 Å²	104.1	100%	1.005	60%	0.596	S	S	*	*				0	-48.2	0	-67.1	-150.5	-115.6	0	0	113.1	T3 I4 L5	M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 2.77Å; M1-T3 VanDerWaalsContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-I4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2	A	29.3	Very low	36	Very low	85 Å²	85	99.7 Å²	99.7	70%	0.702	58%	0.581	S	S	*	*	H	α-helix	trans	-50.1	-41.1	-174.7	0	0	0	0	0	116.1	L5 G6	A2-L5 PolarHBondContact O-N 3.06Å; A2-G6 PolarHBondContact O-N 3.11Å
3	T	30.1	Very low	36.5	Very low	109 Å²	109	102.8 Å²	102.8	67%	0.669	58%	0.584	S	S	*	*	H	α-helix	trans	-60.7	-51.5	176	38.1	0	0	0	0	112.8	M1 L5 G6 D7	M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 2.77Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-L5 PolarHBondContact O-N 3.14Å; T3-G6 WeakPolarHBondContact O-CA 3.17Å; T3-G6 PolarHBondContact O-N 3.27Å; T3-D7 PolarHBondContact O-N 3.02Å
4	I	35.9	Very low	36.6	Very low	116 Å²	116	98.1 Å²	98.1	60%	0.595	57%	0.569	S	S	*	*	H	α-helix	trans	-57.7	-37.4	177.8	-59.4	170.6	0	0	0	111	M1 D7 T8	M1-I4 PolarHBondContact O-N 3.35Å; M1-I4 VanDerWaalsContact O-N 3.12Å; I4-D7 PolarHBondContact O-N 2.71Å; I4-T8 PolarHBondContact O-N 3.1Å; I4-T8 VanDerWaalsContact O-N 3.1Å; I4-T8 PolarHBondContact O-OG1 3.35Å; I4-T8 VanDerWaalsContact O-OG1 3.09Å
5	L	34.8	Very low	37	Very low	108 Å²	108	98.8 Å²	98.8	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-67.4	-42.5	176.8	-166.2	68.6	0	0	0	111.7	M1 A2 T3 D7 T8 I9	M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.15Å; A2-L5 PolarHBondContact O-N 3.06Å; T3-L5 PolarHBondContact O-N 3.14Å; L5-D7 PolarHBondContact O-N 3.31Å; L5-T8 WeakPolarHBondContact CA-OG1 3.12Å; L5-T8 PolarHBondContact O-N 3.45Å; L5-T8 PolarHBondContact O-OG1 3.21Å; L5-I9 HydrophobicContact CG-CD1 4.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.36Å; L5-I9 PolarHBondContact O-N 3.18Å
6	G	31.1	Very low	37.4	Very low	34 Å²	34	96.9 Å²	96.9	35%	0.351	56%	0.559	S	S	.	*	H	α-helix	trans	-57.5	-45.6	173.2	0	0	0	0	0	112.7	A2 T3 I9 M10	A2-G6 PolarHBondContact O-N 3.11Å; T3-G6 WeakPolarHBondContact O-CA 3.17Å; T3-G6 PolarHBondContact O-N 3.27Å; G6-I9 PolarHBondContact O-N 3.17Å; G6-M10 WeakPolarHBondContact O-CB 3.28Å; G6-M10 PolarHBondContact O-N 2.71Å
7	D	37.1	Very low	37.7	Very low	97 Å²	97	100.1 Å²	100.1	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-62.5	-44.2	177.3	-65.9	-29.5	0	0	0	111.8	T3 I4 L5 I9 M10 V11	T3-D7 PolarHBondContact O-N 3.02Å; I4-D7 PolarHBondContact O-N 2.71Å; L5-D7 PolarHBondContact O-N 3.31Å; D7-I9 VanDerWaalsContact C-N 3.34Å; D7-I9 PolarHBondContact O-N 3.3Å; D7-M10 PolarHBondContact O-N 2.75Å; D7-V11 WeakPolarHBondContact O-CB 3.41Å; D7-V11 WeakPolarHBondContact O-CG2 3.38Å; D7-V11 PolarHBondContact O-N 2.86Å
8	T	37.3	Very low	38	Very low	81 Å²	81	101.6 Å²	101.6	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-62.8	-37.4	175.2	39.2	0	0	0	0	113.2	I4 L5 A12	I4-T8 PolarHBondContact O-N 3.1Å; I4-T8 VanDerWaalsContact O-N 3.1Å; I4-T8 PolarHBondContact O-OG1 3.35Å; I4-T8 VanDerWaalsContact O-OG1 3.09Å; L5-T8 WeakPolarHBondContact CA-OG1 3.12Å; L5-T8 PolarHBondContact O-N 3.45Å; L5-T8 PolarHBondContact O-OG1 3.21Å; T8-A12 WeakPolarHBondContact O-CB 3.49Å; T8-A12 PolarHBondContact O-N 2.88Å
9	I	41.5	Very low	38.2	Very low	82 Å²	82	100.4 Å²	100.4	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-68	-37.7	175	-68.6	166.5	0	0	0	110.7	L5 G6 D7 K13	L5-I9 HydrophobicContact CG-CD1 4.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.36Å; L5-I9 PolarHBondContact O-N 3.18Å; G6-I9 PolarHBondContact O-N 3.17Å; D7-I9 VanDerWaalsContact C-N 3.34Å; D7-I9 PolarHBondContact O-N 3.3Å; I9-K13 HydrophobicContact CG2-CD 4.13Å; I9-K13 WeakPolarHBondContact O-CB 3.33Å; I9-K13 WeakPolarHBondContact O-CG 3.45Å; I9-K13 PolarHBondContact O-N 2.72Å
10	M	38.4	Very low	38.6	Very low	138 Å²	138	99.1 Å²	99.1	68%	0.68	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-42.8	177.3	-157.1	-174.6	-52.8	0	0	111.6	G6 D7 K13 G14	G6-M10 WeakPolarHBondContact O-CB 3.28Å; G6-M10 PolarHBondContact O-N 2.71Å; D7-M10 PolarHBondContact O-N 2.75Å; M10-K13 PolarHBondContact O-N 2.73Å; M10-G14 PolarHBondContact O-N 2.74Å
11	V	41.5	Very low	38.9	Very low	91 Å²	91	96.8 Å²	96.8	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-63.5	-42.5	174.5	168.9	0	0	0	0	111.5	D7 G14 L15	D7-V11 WeakPolarHBondContact O-CB 3.41Å; D7-V11 WeakPolarHBondContact O-CG2 3.38Å; D7-V11 PolarHBondContact O-N 2.86Å; V11-G14 PolarHBondContact O-N 3.35Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 PolarHBondContact O-N 3.42Å
12	A	41.3	Very low	39.3	Very low	51 Å²	51	89.6 Å²	89.6	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-46.7	175.6	0	0	0	0	0	112	T8 G14 L15 V16	T8-A12 WeakPolarHBondContact O-CB 3.49Å; T8-A12 PolarHBondContact O-N 2.88Å; A12-G14 VanDerWaalsContact C-N 3.29Å; A12-G14 PolarHBondContact O-N 3.32Å; A12-L15 PolarHBondContact O-N 2.89Å; A12-V16 WeakPolarHBondContact O-CG2 3.29Å; A12-V16 PolarHBondContact O-N 2.66Å
13	K	41.7	Very low	40.2	Very low	141 Å²	141	88 Å²	88	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-62.5	-35.3	174.4	-73.1	175.1	179	179.9	0	112.3	I9 M10 K17	I9-K13 HydrophobicContact CG2-CD 4.13Å; I9-K13 WeakPolarHBondContact O-CB 3.33Å; I9-K13 WeakPolarHBondContact O-CG 3.45Å; I9-K13 PolarHBondContact O-N 2.72Å; M10-K13 PolarHBondContact O-N 2.73Å; K13-K17 PolarHBondContact O-N 2.71Å; K13-K17 VanDerWaalsContact O-N 3.12Å
14	G	38.8	Very low	41.2	Very low	36 Å²	36	85 Å²	85	37%	0.371	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-51.5	172.9	0	0	0	0	0	112.3	M10 V11 A12 V16 K17 L18	M10-G14 PolarHBondContact O-N 2.74Å; V11-G14 PolarHBondContact O-N 3.35Å; A12-G14 VanDerWaalsContact C-N 3.29Å; A12-G14 PolarHBondContact O-N 3.32Å; G14-V16 PolarHBondContact O-N 3.17Å; G14-K17 PolarHBondContact O-N 3.02Å; G14-L18 WeakPolarHBondContact O-CB 3.38Å; G14-L18 PolarHBondContact O-N 3.19Å
15	L	41.3	Very low	41.9	Very low	109 Å²	109	83.6 Å²	83.6	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-57.4	-45.4	176.3	-97.6	147.3	0	0	0	112.4	V11 A12 L18 T19	V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 PolarHBondContact O-N 3.42Å; A12-L15 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 2.98Å; L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 2.86Å
16	V	44.4	Very low	42.4	Very low	68 Å²	68	85 Å²	85	41%	0.412	48%	0.481	S	S	.	.	H	α-helix	trans	-59.6	-47.9	176.9	170.7	0	0	0	0	111.2	A12 G14 L18 T19 Q20 V48	A12-V16 WeakPolarHBondContact O-CG2 3.29Å; A12-V16 PolarHBondContact O-N 2.66Å; G14-V16 PolarHBondContact O-N 3.17Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.22Å; V16-T19 WeakPolarHBondContact CA-OG1 3.31Å; V16-T19 PolarHBondContact O-N 3.44Å; V16-T19 PolarHBondContact O-OG1 3.27Å; V16-Q20 PolarHBondContact O-N 2.81Å; V16-V48 HydrophobicContact CG1-CG2 4.18Å
17	K	42.8	Very low	43.3	Very low	152 Å²	152	85 Å²	85	66%	0.661	47%	0.473	S	S	*	.	H	α-helix	trans	-61.2	-37.2	175.3	-77.4	-171.9	173.5	-170.1	0	112.8	K13 G14 Q20 A21	K13-K17 PolarHBondContact O-N 2.71Å; K13-K17 VanDerWaalsContact O-N 3.12Å; G14-K17 PolarHBondContact O-N 3.02Å; K17-Q20 PolarHBondContact O-N 2.81Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 2.59Å
18	L	41.7	Very low	43.9	Very low	126 Å²	126	87.5 Å²	87.5	66%	0.66	48%	0.482	S	S	*	.	H	α-helix	trans	-69.8	-39.1	179.1	-140	159.8	0	0	0	111.2	G14 L15 V16 A22	G14-L18 WeakPolarHBondContact O-CB 3.38Å; G14-L18 PolarHBondContact O-N 3.19Å; L15-L18 PolarHBondContact O-N 2.98Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.22Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.34Å
19	T	42.5	Very low	44.5	Very low	79 Å²	79	91.4 Å²	91.4	49%	0.485	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-38.1	170.9	48.3	0	0	0	0	112.9	L15 V16 A22 V23	L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 2.86Å; V16-T19 WeakPolarHBondContact CA-OG1 3.31Å; V16-T19 PolarHBondContact O-N 3.44Å; V16-T19 PolarHBondContact O-OG1 3.27Å; T19-A22 PolarHBondContact O-N 3.3Å; T19-V23 WeakPolarHBondContact O-CB 3.5Å; T19-V23 VanDerWaalsContact O-CG2 3.31Å; T19-V23 WeakPolarHBondContact O-CG2 3.36Å; T19-V23 PolarHBondContact O-N 2.93Å
20	Q	45.5	Very low	44.8	Very low	75 Å²	75	93.1 Å²	93.1	35%	0.35	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-50.1	175.2	-175.3	-177.6	-4.9	0	0	110.8	V16 K17 A22 V23 E24	V16-Q20 PolarHBondContact O-N 2.81Å; K17-Q20 PolarHBondContact O-N 2.81Å; Q20-A22 VanDerWaalsContact C-N 3.34Å; Q20-A22 PolarHBondContact O-N 2.92Å; Q20-V23 PolarHBondContact O-N 2.73Å; Q20-E24 WeakPolarHBondContact O-CG 3.36Å; Q20-E24 PolarHBondContact O-N 3.13Å
21	A	45.3	Very low	45.1	Very low	51 Å²	51	90 Å²	90	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-60.6	-41.5	177.7	0	0	0	0	0	112.2	K17 T25	K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 2.59Å; A21-T25 WeakPolarHBondContact O-CB 3.35Å; A21-T25 PolarHBondContact O-N 3.42Å; A21-T25 PolarHBondContact O-OG1 3Å
22	A	43.1	Very low	45.6	Very low	52 Å²	52	88.5 Å²	88.5	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-41.1	175.9	0	0	0	0	0	112.6	L18 T19 Q20 H26	L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.34Å; T19-A22 PolarHBondContact O-N 3.3Å; Q20-A22 VanDerWaalsContact C-N 3.34Å; Q20-A22 PolarHBondContact O-N 2.92Å; A22-H26 PolarHBondContact O-N 3.02Å
23	V	48.7	Very low	45.9	Very low	52 Å²	52	88.6 Å²	88.6	32%	0.315	50%	0.501	S	S	.	.	H	α-helix	trans	-69	-45.5	176.9	169.1	0	0	0	0	111.4	T19 Q20 T25 H26 L27	T19-V23 WeakPolarHBondContact O-CB 3.5Å; T19-V23 VanDerWaalsContact O-CG2 3.31Å; T19-V23 WeakPolarHBondContact O-CG2 3.36Å; T19-V23 PolarHBondContact O-N 2.93Å; Q20-V23 PolarHBondContact O-N 2.73Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 PolarHBondContact O-N 3.01Å; V23-H26 PolarHBondContact O-N 2.69Å; V23-L27 HydrophobicContact CG1-CD1 3.78Å; V23-L27 HydrophobicContact CG1-CG 4.26Å; V23-L27 WeakPolarHBondContact O-CB 3.48Å; V23-L27 WeakPolarHBondContact O-CG 3.32Å; V23-L27 PolarHBondContact O-N 3Å
24	E	49.4	Very low	46.1	Very low	46 Å²	46	84.3 Å²	84.3	22%	0.215	50%	0.496	C	S	.	.	H	α-helix	trans	-61.4	-40.3	176.2	-70.8	-173.4	161.3	0	0	111.4	Q20 L27 Q28 R41	Q20-E24 WeakPolarHBondContact O-CG 3.36Å; Q20-E24 PolarHBondContact O-N 3.13Å; E24-L27 PolarHBondContact O-N 2.79Å; E24-Q28 WeakPolarHBondContact O-CB 3.32Å; E24-Q28 WeakPolarHBondContact O-CG 3.29Å; E24-Q28 PolarHBondContact O-N 3.08Å; E24-R41 IonicContact OE1-CZ 2.73Å; E24-R41 IonicContact OE1-NE 3.55Å; E24-R41 PolarHBondContact OE1-NE 2.83Å; E24-R41 IonicContact OE1-NH2 2.67Å; E24-R41 PolarHBondContact OE1-NH2 3.44Å; E24-R41 IonicContact OE2-NH2 3.1Å
25	T	51.5	Low	46.4	Very low	86 Å²	86	90.9 Å²	90.9	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-42.5	174.9	-52.9	0	0	0	0	111.9	A21 V23 H29	A21-T25 WeakPolarHBondContact O-CB 3.35Å; A21-T25 PolarHBondContact O-N 3.42Å; A21-T25 PolarHBondContact O-OG1 3Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 PolarHBondContact O-N 3.01Å; T25-H29 WeakPolarHBondContact O-CB 3.36Å; T25-H29 PolarHBondContact O-N 3.15Å; T25-H29 VanDerWaalsContact O-N 3.1Å
26	H	46.1	Very low	46.6	Very low	138 Å²	138	91 Å²	91	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-69.3	-41	177.3	-105	46.2	0	0	0	113.1	A22 V23 H29 L30	A22-H26 PolarHBondContact O-N 3.02Å; V23-H26 PolarHBondContact O-N 2.69Å; H26-H29 PolarHBondContact O-N 3.46Å; H26-L30 WeakPolarHBondContact O-CG 3.26Å; H26-L30 PolarHBondContact O-N 2.97Å
27	L	49.6	Very low	46.9	Very low	35 Å²	35	89.8 Å²	89.8	18%	0.183	51%	0.508	C	S	.	.	H	α-helix	trans	-65.6	-38.5	179	-71.2	173.3	0	0	0	112	V23 E24 L30 I32 I37 A40	V23-L27 HydrophobicContact CG1-CD1 3.78Å; V23-L27 HydrophobicContact CG1-CG 4.26Å; V23-L27 WeakPolarHBondContact O-CB 3.48Å; V23-L27 WeakPolarHBondContact O-CG 3.32Å; V23-L27 PolarHBondContact O-N 3Å; E24-L27 PolarHBondContact O-N 2.79Å; L27-L30 PolarHBondContact O-N 3.5Å; L27-I32 HydrophobicContact CD2-CD1 3.99Å; L27-I37 HydrophobicContact CB-CG1 4.46Å; L27-A40 HydrophobicContact CD1-CB 4.42Å
28	Q	49	Very low	47.1	Very low	148 Å²	148	88.6 Å²	88.6	69%	0.692	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-43.6	171.4	-73.9	179.5	-7.8	0	0	111.8	E24 L30 G31	E24-Q28 WeakPolarHBondContact O-CB 3.32Å; E24-Q28 WeakPolarHBondContact O-CG 3.29Å; E24-Q28 PolarHBondContact O-N 3.08Å; Q28-L30 PolarHBondContact O-N 2.92Å; Q28-G31 PolarHBondContact O-N 3.24Å
29	H	49.6	Very low	47.2	Very low	164 Å²	164	85 Å²	85	76%	0.759	50%	0.495	S	S	*	.	H	α-helix	trans	-69.8	-15	-179.7	-151.6	-45.5	0	0	0	113.8	T25 H26	T25-H29 WeakPolarHBondContact O-CB 3.36Å; T25-H29 PolarHBondContact O-N 3.15Å; T25-H29 VanDerWaalsContact O-N 3.1Å; H26-H29 PolarHBondContact O-N 3.46Å
30	L	48.1	Very low	47.4	Very low	118 Å²	118	82.7 Å²	82.7	62%	0.618	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.6	175.1	-72.6	166.4	0	0	0	113.8	H26 L27 Q28 I32	H26-L30 WeakPolarHBondContact O-CG 3.26Å; H26-L30 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 3.5Å; Q28-L30 PolarHBondContact O-N 2.92Å; L30-I32 VanDerWaalsContact C-N 3.26Å; L30-I32 HydrophobicContact CB-CD1 3.87Å; L30-I32 HydrophobicContact CB-CG1 3.91Å; L30-I32 HydrophobicContact CD1-CD1 4.3Å; L30-I32 PolarHBondContact O-N 3.28Å
31	G	44.4	Very low	47.5	Very low	71 Å²	71	85 Å²	85	73%	0.732	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	22.4	175.8	0	0	0	0	0	115	Q28	Q28-G31 PolarHBondContact O-N 3.24Å
32	I	52.8	Low	47.5	Very low	61 Å²	61	85.3 Å²	85.3	31%	0.313	49%	0.492	S	S	.	.			trans	-78	134.8	-173.3	-61.4	175.1	0	0	0	110.6	L27 L30 L36	L27-I32 HydrophobicContact CD2-CD1 3.99Å; L30-I32 VanDerWaalsContact C-N 3.26Å; L30-I32 HydrophobicContact CB-CD1 3.87Å; L30-I32 HydrophobicContact CB-CG1 3.91Å; L30-I32 HydrophobicContact CD1-CD1 4.3Å; L30-I32 PolarHBondContact O-N 3.28Å; I32-L36 HydrophobicContact CG2-CB 3.69Å; I32-L36 HydrophobicContact CG2-CD2 3.61Å; I32-L36 HydrophobicContact CG2-CG 4.28Å
33	G	48.3	Very low	47.4	Very low	53 Å²	53	89.1 Å²	89.1	55%	0.546	51%	0.505	S	S	.	.			trans	-59.3	148.9	-175.4	0	0	0	0	0	114.8	E35 L36	G33-E35 VanDerWaalsContact C-N 3.25Å; G33-E35 PolarHBondContact O-N 3.24Å; G33-E35 VanDerWaalsContact O-N 3.09Å; G33-L36 PolarHBondContact O-N 3.1Å
34	G	45.6	Very low	47.2	Very low	50 Å²	50	90.1 Å²	90.1	52%	0.515	51%	0.506	S	S	.	.	H	α-helix	trans	-58.3	-27.6	-168.6	0	0	0	0	0	115.9	L36 I37 M38	G34-L36 VanDerWaalsContact C-N 3.34Å; G34-L36 PolarHBondContact O-N 3.22Å; G34-I37 PolarHBondContact O-N 3.05Å; G34-M38 WeakPolarHBondContact O-CG 3.5Å; G34-M38 PolarHBondContact O-N 3.34Å
35	E	44.9	Very low	46.8	Very low	174 Å²	174	91 Å²	91	81%	0.813	52%	0.517	S	S	*	.	H	α-helix	trans	-63.4	-38	176.6	-63.2	-175.2	143.1	0	0	112.4	G33 I37 M38 A39	G33-E35 VanDerWaalsContact C-N 3.25Å; G33-E35 PolarHBondContact O-N 3.24Å; G33-E35 VanDerWaalsContact O-N 3.09Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.24Å; E35-M38 PolarHBondContact O-N 3.47Å; E35-A39 PolarHBondContact O-N 3.42Å
36	L	45.7	Very low	46.3	Very low	112 Å²	112	90.2 Å²	90.2	59%	0.586	51%	0.512	S	S	*	.	H	α-helix	trans	-71.2	-32	177.9	-141.6	80.1	0	0	0	111.7	I32 G33 G34 A39 A40	I32-L36 HydrophobicContact CG2-CB 3.69Å; I32-L36 HydrophobicContact CG2-CD2 3.61Å; I32-L36 HydrophobicContact CG2-CG 4.28Å; G33-L36 PolarHBondContact O-N 3.1Å; G34-L36 VanDerWaalsContact C-N 3.34Å; G34-L36 PolarHBondContact O-N 3.22Å; L36-A39 PolarHBondContact O-N 3.33Å; L36-A40 WeakPolarHBondContact O-CB 3.2Å; L36-A40 PolarHBondContact O-N 3.14Å
37	I	51	Low	46	Very low	42 Å²	42	85.9 Å²	85.9	22%	0.215	50%	0.5	C	S	.	.	H	α-helix	trans	-67.8	-39.3	173.7	-60.1	176.5	0	0	0	110.2	L27 G34 E35 A40 R41	L27-I37 HydrophobicContact CB-CG1 4.46Å; G34-I37 PolarHBondContact O-N 3.05Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.24Å; I37-A40 PolarHBondContact O-N 2.81Å; I37-R41 PolarHBondContact O-N 3.13Å
38	M	45.3	Very low	45.5	Very low	128 Å²	128	88 Å²	88	63%	0.631	51%	0.514	S	S	*	.	H	α-helix	trans	-67.4	-41.9	174.3	-70.1	-66.6	-75.1	0	0	112.1	G34 E35 R41 A42	G34-M38 WeakPolarHBondContact O-CG 3.5Å; G34-M38 PolarHBondContact O-N 3.34Å; E35-M38 PolarHBondContact O-N 3.47Å; M38-R41 PolarHBondContact O-N 2.88Å; M38-A42 PolarHBondContact O-N 3.41Å
39	A	45.3	Very low	45.1	Very low	49 Å²	49	86.7 Å²	86.7	41%	0.405	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-41.6	174.2	0	0	0	0	0	112.3	E35 L36 A42 L43	E35-A39 PolarHBondContact O-N 3.42Å; L36-A39 PolarHBondContact O-N 3.33Å; A39-A42 PolarHBondContact O-N 3.09Å; A39-L43 PolarHBondContact O-N 2.89Å
40	A	47.1	Very low	44.5	Very low	31 Å²	31	85.2 Å²	85.2	26%	0.256	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-42.4	174.6	0	0	0	0	0	112.2	L27 L36 I37 Q44	L27-A40 HydrophobicContact CD1-CB 4.42Å; L36-A40 WeakPolarHBondContact O-CB 3.2Å; L36-A40 PolarHBondContact O-N 3.14Å; I37-A40 PolarHBondContact O-N 2.81Å; A40-Q44 WeakPolarHBondContact O-CB 3.46Å; A40-Q44 WeakPolarHBondContact O-CG 3.48Å; A40-Q44 PolarHBondContact O-N 3.34Å
41	R	47.5	Very low	44.1	Very low	124 Å²	124	84.5 Å²	84.5	47%	0.468	50%	0.497	S	S	.	.	H	α-helix	trans	-62.9	-41	174.2	-82.4	-177.2	168.3	-176.2	-2.8	112.6	E24 I37 M38 Q44 S45	E24-R41 IonicContact OE1-CZ 2.73Å; E24-R41 IonicContact OE1-NE 3.55Å; E24-R41 PolarHBondContact OE1-NE 2.83Å; E24-R41 IonicContact OE1-NH2 2.67Å; E24-R41 PolarHBondContact OE1-NH2 3.44Å; E24-R41 IonicContact OE2-NH2 3.1Å; I37-R41 PolarHBondContact O-N 3.13Å; M38-R41 PolarHBondContact O-N 2.88Å; R41-Q44 PolarHBondContact O-N 3.04Å; R41-S45 WeakPolarHBondContact O-CB 3.41Å; R41-S45 PolarHBondContact O-N 2.83Å
42	A	43.5	Very low	43.6	Very low	58 Å²	58	83.1 Å²	83.1	48%	0.479	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-53.6	176.2	0	0	0	0	0	111.3	M38 A39 Q44 S45 T46	M38-A42 PolarHBondContact O-N 3.41Å; A39-A42 PolarHBondContact O-N 3.09Å; A42-Q44 PolarHBondContact O-N 3.47Å; A42-S45 WeakPolarHBondContact O-CB 3.26Å; A42-S45 PolarHBondContact O-N 2.86Å; A42-S45 VanDerWaalsContact O-N 3.14Å; A42-T46 PolarHBondContact O-N 3.12Å; A42-T46 PolarHBondContact O-OG1 3.21Å
43	L	41.3	Very low	42.9	Very low	131 Å²	131	86.2 Å²	86.2	69%	0.686	50%	0.498	S	S	*	.	H	α-helix	trans	-59.5	-40.8	178	-88.6	160.8	0	0	0	113.2	A39 T46 A47	A39-L43 PolarHBondContact O-N 2.89Å; L43-T46 PolarHBondContact O-N 3.33Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 2.61Å
44	Q	44.9	Very low	42.3	Very low	73 Å²	73	90.4 Å²	90.4	34%	0.341	50%	0.501	S	S	.	.	H	α-helix	trans	-69.4	-34.7	175.7	-75.7	-171.1	-22.3	0	0	112.6	A40 R41 A42 A47 V48	A40-Q44 WeakPolarHBondContact O-CB 3.46Å; A40-Q44 WeakPolarHBondContact O-CG 3.48Å; A40-Q44 PolarHBondContact O-N 3.34Å; R41-Q44 PolarHBondContact O-N 3.04Å; A42-Q44 PolarHBondContact O-N 3.47Å; Q44-A47 PolarHBondContact O-N 2.96Å; Q44-V48 WeakPolarHBondContact O-CG2 3.39Å; Q44-V48 PolarHBondContact O-N 2.88Å
45	S	41.6	Very low	41.8	Very low	65 Å²	65	93.2 Å²	93.2	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-48.7	173.3	-165.2	0	0	0	0	110.8	R41 A42 A47 V48 E49	R41-S45 WeakPolarHBondContact O-CB 3.41Å; R41-S45 PolarHBondContact O-N 2.83Å; A42-S45 WeakPolarHBondContact O-CB 3.26Å; A42-S45 PolarHBondContact O-N 2.86Å; A42-S45 VanDerWaalsContact O-N 3.14Å; S45-A47 VanDerWaalsContact C-N 3.3Å; S45-A47 PolarHBondContact O-N 2.88Å; S45-V48 PolarHBondContact O-N 3.23Å; S45-E49 WeakPolarHBondContact O-CG 3.23Å; S45-E49 PolarHBondContact O-N 3.41Å
46	T	41.2	Very low	41.3	Very low	70 Å²	70	86.7 Å²	86.7	43%	0.429	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-38	178	-34.6	0	0	0	0	111.9	A42 L43 E49 Q50	A42-T46 PolarHBondContact O-N 3.12Å; A42-T46 PolarHBondContact O-OG1 3.21Å; L43-T46 PolarHBondContact O-N 3.33Å; T46-E49 PolarHBondContact O-N 2.69Å; T46-Q50 WeakPolarHBondContact O-CB 3.24Å; T46-Q50 WeakPolarHBondContact O-CG 3.45Å; T46-Q50 PolarHBondContact O-N 3.08Å
47	A	38.4	Very low	41	Very low	46 Å²	46	88.2 Å²	88.2	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-66.2	-40.8	175.6	0	0	0	0	0	112.5	L43 Q44 S45 Q50 I51	L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 2.61Å; Q44-A47 PolarHBondContact O-N 2.96Å; S45-A47 VanDerWaalsContact C-N 3.3Å; S45-A47 PolarHBondContact O-N 2.88Å; A47-Q50 PolarHBondContact O-N 2.99Å; A47-I51 WeakPolarHBondContact O-CB 3.46Å; A47-I51 WeakPolarHBondContact O-CD1 3.36Å; A47-I51 VanDerWaalsContact O-CG1 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.46Å; A47-I51 PolarHBondContact O-N 3.41Å
48	V	40.4	Very low	40.2	Very low	79 Å²	79	90.3 Å²	90.3	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-67.4	-39.6	176.2	169.6	0	0	0	0	111.3	V16 Q44 S45 G52	V16-V48 HydrophobicContact CG1-CG2 4.18Å; Q44-V48 WeakPolarHBondContact O-CG2 3.39Å; Q44-V48 PolarHBondContact O-N 2.88Å; S45-V48 PolarHBondContact O-N 3.23Å; V48-G52 PolarHBondContact O-N 3.03Å
49	E	39.5	Very low	39.9	Very low	122 Å²	122	91.9 Å²	91.9	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-65.1	-44.8	173.7	-73	-179	131.1	0	0	111.9	S45 T46 I51 G52 M53	S45-E49 WeakPolarHBondContact O-CG 3.23Å; S45-E49 PolarHBondContact O-N 3.41Å; T46-E49 PolarHBondContact O-N 2.69Å; E49-I51 PolarHBondContact O-N 3.02Å; E49-G52 CarbonylContact O-C 3.54Å; E49-G52 WeakPolarHBondContact O-CA 3.44Å; E49-G52 PolarHBondContact O-N 2.87Å; E49-G52 VanDerWaalsContact O-N 3.16Å; E49-M53 WeakPolarHBondContact O-CG 3.19Å; E49-M53 PolarHBondContact O-N 2.96Å
50	Q	37.7	Very low	39.4	Very low	132 Å²	132	92 Å²	92	62%	0.617	51%	0.511	S	S	*	.	H	α-helix	trans	-65.9	-37.6	176.8	-74.6	-169.6	5	0	0	112.8	T46 A47 G52 M53 F54	T46-Q50 WeakPolarHBondContact O-CB 3.24Å; T46-Q50 WeakPolarHBondContact O-CG 3.45Å; T46-Q50 PolarHBondContact O-N 3.08Å; A47-Q50 PolarHBondContact O-N 2.99Å; Q50-G52 VanDerWaalsContact C-N 3.33Å; Q50-M53 PolarHBondContact O-N 2.85Å; Q50-F54 VanDerWaalsContact O-CB 3.31Å; Q50-F54 WeakPolarHBondContact O-CB 3.32Å; Q50-F54 PolarHBondContact O-N 2.81Å
51	I	39	Very low	38.7	Very low	103 Å²	103	98 Å²	98	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-38.3	172.1	-70	165	0	0	0	110.6	A47 E49 F54 L55	A47-I51 WeakPolarHBondContact O-CB 3.46Å; A47-I51 WeakPolarHBondContact O-CD1 3.36Å; A47-I51 VanDerWaalsContact O-CG1 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.46Å; A47-I51 PolarHBondContact O-N 3.41Å; E49-I51 PolarHBondContact O-N 3.02Å; I51-F54 PolarHBondContact O-N 3.34Å; I51-L55 HydrophobicContact CG2-CD1 4.02Å; I51-L55 WeakPolarHBondContact O-CB 3.44Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.43Å
52	G	35.2	Very low	37.9	Very low	42 Å²	42	99.7 Å²	99.7	43%	0.433	55%	0.552	S	S	.	*	H	α-helix	trans	-61.4	-46.1	172.5	0	0	0	0	0	112.9	V48 E49 Q50 F54 L55 G56	V48-G52 PolarHBondContact O-N 3.03Å; E49-G52 CarbonylContact O-C 3.54Å; E49-G52 WeakPolarHBondContact O-CA 3.44Å; E49-G52 PolarHBondContact O-N 2.87Å; E49-G52 VanDerWaalsContact O-N 3.16Å; Q50-G52 VanDerWaalsContact C-N 3.33Å; G52-F54 VanDerWaalsContact C-N 3.35Å; G52-L55 PolarHBondContact O-N 2.99Å; G52-G56 PolarHBondContact O-N 2.98Å
53	M	37.1	Very low	37.2	Very low	126 Å²	126	105.9 Å²	105.9	62%	0.621	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-36.7	174.6	-70.8	176.7	71.1	0	0	112.3	E49 Q50 G56 K57	E49-M53 WeakPolarHBondContact O-CG 3.19Å; E49-M53 PolarHBondContact O-N 2.96Å; Q50-M53 PolarHBondContact O-N 2.85Å; M53-G56 PolarHBondContact O-N 2.91Å; M53-K57 WeakPolarHBondContact O-CG 3.45Å; M53-K57 PolarHBondContact O-N 3.33Å
54	F	35.3	Very low	36.5	Very low	142 Å²	142	111 Å²	111	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-66.8	-46.6	176.8	-171.2	-94.7	0	0	0	111.3	Q50 I51 G52 G56 K57 V58	Q50-F54 VanDerWaalsContact O-CB 3.31Å; Q50-F54 WeakPolarHBondContact O-CB 3.32Å; Q50-F54 PolarHBondContact O-N 2.81Å; I51-F54 PolarHBondContact O-N 3.34Å; G52-F54 VanDerWaalsContact C-N 3.35Å; F54-G56 VanDerWaalsContact C-N 3.33Å; F54-G56 PolarHBondContact O-N 3.4Å; F54-K57 PolarHBondContact O-N 2.87Å; F54-V58 HydrophobicContact CE1-CG2 4.36Å; F54-V58 WeakPolarHBondContact O-CG2 3.5Å; F54-V58 PolarHBondContact O-N 3.4Å
55	L	36.6	Very low	35.7	Very low	109 Å²	109	116.4 Å²	116.4	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-63.8	-37.1	173.9	-69.5	168.5	0	0	0	112.1	I51 G52 V58 Q59	I51-L55 HydrophobicContact CG2-CD1 4.02Å; I51-L55 WeakPolarHBondContact O-CB 3.44Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.43Å; G52-L55 PolarHBondContact O-N 2.99Å; L55-V58 PolarHBondContact O-N 3.43Å; L55-Q59 PolarHBondContact O-N 2.95Å; L55-Q59 VanDerWaalsContact O-N 3.1Å
56	G	34.5	Very low	35	Very low	37 Å²	37	122.3 Å²	122.3	38%	0.381	62%	0.624	S	S	.	*	H	α-helix	trans	-64.9	-35.2	172.3	0	0	0	0	0	113.5	G52 M53 F54 Q59 G60	G52-G56 PolarHBondContact O-N 2.98Å; M53-G56 PolarHBondContact O-N 2.91Å; F54-G56 VanDerWaalsContact C-N 3.33Å; F54-G56 PolarHBondContact O-N 3.4Å; G56-Q59 WeakPolarHBondContact O-CB 3.31Å; G56-Q59 PolarHBondContact O-N 2.77Å; G56-G60 PolarHBondContact O-N 2.91Å
57	K	38	Very low	34.1	Very low	144 Å²	144	129.7 Å²	129.7	63%	0.626	65%	0.646	S	S	*	*	H	α-helix	trans	-68.7	-40	173.2	-80.4	-178.3	175	-175	0	112.6	M53 F54 Q59 G60 Q61	M53-K57 WeakPolarHBondContact O-CG 3.45Å; M53-K57 PolarHBondContact O-N 3.33Å; F54-K57 PolarHBondContact O-N 2.87Å; K57-Q59 PolarHBondContact O-N 3.1Å; K57-G60 WeakPolarHBondContact O-CA 3.45Å; K57-G60 PolarHBondContact O-N 3.25Å; K57-Q61 PolarHBondContact O-N 3.46Å
58	V	34.3	Very low	33.3	Very low	85 Å²	85	138.3 Å²	138.3	52%	0.515	68%	0.675	S	S	.	*	H	α-helix	trans	-58.2	-38.1	171.2	172.8	0	0	0	0	110.6	F54 L55 G60	F54-V58 HydrophobicContact CE1-CG2 4.36Å; F54-V58 WeakPolarHBondContact O-CG2 3.5Å; F54-V58 PolarHBondContact O-N 3.4Å; L55-V58 PolarHBondContact O-N 3.43Å; V58-G60 PolarHBondContact O-N 3.34Å
59	Q	38.7	Very low	32.5	Very low	162 Å²	162	137.4 Å²	137.4	76%	0.757	68%	0.682	S	S	*	*	H	α-helix	trans	-70.1	-11.4	175.1	-155.5	171.9	16.3	0	0	114.2	L55 G56 K57	L55-Q59 PolarHBondContact O-N 2.95Å; L55-Q59 VanDerWaalsContact O-N 3.1Å; G56-Q59 WeakPolarHBondContact O-CB 3.31Å; G56-Q59 PolarHBondContact O-N 2.77Å; K57-Q59 PolarHBondContact O-N 3.1Å
60	G	35.6	Very low	31.7	Very low	50 Å²	50	139.9 Å²	139.9	52%	0.515	69%	0.694	S	S	.	*	H	α-helix	trans	-104.5	-6.3	-178.8	0	0	0	0	0	115.7	G56 K57 V58	G56-G60 PolarHBondContact O-N 2.91Å; K57-G60 WeakPolarHBondContact O-CA 3.45Å; K57-G60 PolarHBondContact O-N 3.25Å; V58-G60 PolarHBondContact O-N 3.34Å
61	Q	31.4	Very low	31	Very low	158 Å²	158	140.1 Å²	140.1	74%	0.738	70%	0.699	S	S	*	*	H	α-helix	trans	-93.7	-18.7	179.1	-70.9	-173.5	-99.5	0	0	114	K57 K63	K57-Q61 PolarHBondContact O-N 3.46Å; Q61-K63 PolarHBondContact O-N 3.37Å
62	D	31.8	Very low	30.3	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	71%	0.714	S	S	*	*	S	Bend	trans	-80.5	17.8	173.1	-91.6	-9	0	0	0	113.7
63	K	29.3	Very low	29.8	Very low	187 Å²	187	148.9 Å²	148.9	81%	0.813	73%	0.729	S	S	*	*			trans	-136.4	76.2	173.7	-78	-158.1	169.7	-159.3	0	111.6	Q61	Q61-K63 PolarHBondContact O-N 3.37Å
64	R	26.9	Very low	29	Very low	238 Å²	238	146.2 Å²	146.2	90%	0.898	73%	0.733	S	S	*	*			trans	-144.1	50.6	170.4	-127.5	-175.9	-169.8	-151.6	0.8	114.9
65	E	27.9	Very low	28.9	Very low	188 Å²	188	145 Å²	145	88%	0.879	74%	0.74	S	S	*	*	S	Bend	trans	-150.4	174.4	147	-112.4	156.3	-149.6	0	0	108.3
66	E	26.9	Very low	28.3	Very low	188 Å²	188	149.2 Å²	149.2	88%	0.879	76%	0.756	S	S	*	*			trans	60.8	81.7	-168.3	-62	-171.4	162.8	0	0	115.6
67	Y	22.4	Very low	27.8	Very low	226 Å²	226	151.3 Å²	151.3	89%	0.886	78%	0.778	S	S	*	*			trans	-149.4	88.9	151.6	-120.7	-78.1	0	0	0	110.4
68	F	22	Very low	27.1	Very low	226 Å²	226	152.3 Å²	152.3	99%	0.991	79%	0.785	S	S	*	*			trans	-153.4	131.4	158	-109.2	-71.2	0	0	0	110.4
69	G	22.6	Very low	26.5	Very low	61 Å²	61	157.5 Å²	157.5	63%	0.629	80%	0.801	S	S	*	*			trans	141.9	129.4	-169.2	0	0	0	0	0	108.6
70	E	23.6	Very low	25.7	Very low	174 Å²	174	157.1 Å²	157.1	81%	0.813	80%	0.799	S	S	*	*			cis	-146.3	178.4	3.6	-65.5	-178.5	122.1	0	0	110.8
71	N	22.2	Very low	25	Very low	136 Å²	136	163.4 Å²	163.4	73%	0.727	81%	0.812	S	S	*	*			trans	76.5	106.4	162.3	-51.9	-56	0	0	0	118.3
72	F	23.6	Very low	24.6	Very low	191 Å²	191	159.9 Å²	159.9	84%	0.838	81%	0.805	S	S	*	*				-157.7	161.8	101.5	-118.8	-87.7	0	0	0	110.9
73	D	24.9	Very low	24.2	Very low	139 Å²	139	158.6 Å²	158.6	74%	0.743	80%	0.803	S	S	*	*			trans	-25.5	152.9	-171.2	-57.4	-41.3	0	0	0	122
74	G	21.2	Very low	24.1	Very low	70 Å²	70	155.6 Å²	155.6	72%	0.722	80%	0.803	S	S	*	*			trans	-90.9	-153.2	165.9	0	0	0	0	0	113.3
75	P	32.8	Very low	23.9	Very low	116 Å²	116	153.4 Å²	153.4	75%	0.753	80%	0.802	S	S	*	*			cis	-133	-158.4	11	36.3	-13.5	0	0	0	114.3
76	E	23.4	Very low	23.7	Very low	197 Å²	197	149 Å²	149	92%	0.921	80%	0.798	S	S	*	*			trans	78.3	142.3	166.7	-61.5	178.5	-166.2	0	0	119
77	G	24.6	Very low	23.5	Very low	81 Å²	81	144.7 Å²	144.7	84%	0.835	79%	0.794	S	S	*	*			trans	132	101	175.6	0	0	0	0	0	114.9
78	E	22.6	Very low	23.5	Very low	165 Å²	165	137.7 Å²	137.7	77%	0.771	79%	0.791	S	S	*	*			trans	-78.1	153.5	172.8	-59.6	173.8	119.1	0	0	112.1
79	F	23.5	Very low	23.5	Very low	194 Å²	194	132.2 Å²	132.2	85%	0.851	79%	0.788	S	S	*	*				175	179.8	110.2	-100.5	-74.1	0	0	0	113.1
80	H	20.6	Very low	23.6	Very low	154 Å²	154	134.4 Å²	134.4	71%	0.713	79%	0.793	S	S	*	*			trans	-121.7	147.3	-148.3	-121.5	-107.2	0	0	0	114.6
81	F	21.8	Very low	23.6	Very low	182 Å²	182	132.7 Å²	132.7	80%	0.798	80%	0.795	S	S	*	*			trans	66.1	158.1	148.8	-92.2	-140.8	0	0	0	118.9
82	S	21.7	Very low	23.7	Very low	85 Å²	85	133 Å²	133	59%	0.594	80%	0.797	S	S	*	*			cis	-164.4	165.4	-23.3	-114.3	0	0	0	0	111.5
83	V	24.7	Very low	23.6	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	80%	0.799	S	S	*	*			trans	-108.9	141.2	171.8	175.1	0	0	0	0	110.4
84	P	25.9	Very low	23.6	Very low	125 Å²	125	132.3 Å²	132.3	81%	0.812	80%	0.801	S	S	*	*			trans	-104.1	142.3	157.6	34.6	-27.2	0	0	0	112.2
85	Q	22.5	Very low	23.7	Very low	192 Å²	192	133.7 Å²	133.7	90%	0.897	81%	0.806	S	S	*	*			trans	-136.3	173.4	176.4	-163.9	-174	45	0	0	108.5
86	A	24.8	Very low	23.3	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	81%	0.809	S	S	*	*			trans	86.8	155.8	169.9	0	0	0	0	0	116.9
87	A	22.6	Very low	23.4	Very low	97 Å²	97	129.2 Å²	129.2	80%	0.802	81%	0.805	S	S	*	*			cis	-164.9	170.9	-27.6	0	0	0	0	0	110.5
88	G	22.3	Very low	23.5	Very low	80 Å²	80	129.7 Å²	129.7	83%	0.825	80%	0.801	S	S	*	*			trans	-66.9	-178.8	-164.8	0	0	0	0	0	119.9
89	A	22.9	Very low	24.1	Very low	111 Å²	111	127.6 Å²	127.6	92%	0.917	80%	0.802	S	S	*	*			trans	-170.6	166.2	156.8	0	0	0	0	0	110.5
90	S	23.5	Very low	24.2	Very low	106 Å²	106	125 Å²	125	74%	0.741	80%	0.797	S	S	*	*			trans	-129.1	162.7	-175.4	55.4	0	0	0	0	112.5
91	T	24.3	Very low	24.6	Very low	138 Å²	138	126.1 Å²	126.1	85%	0.847	80%	0.802	S	S	*	*			trans	174.8	156.8	133.3	26	0	0	0	0	113.3
92	D	22.7	Very low	24.7	Very low	144 Å²	144	123.6 Å²	123.6	77%	0.77	81%	0.807	S	S	*	*			trans	-80.4	166.4	176.9	-47.5	-95.4	0	0	0	114.2
93	F	23.3	Very low	24.9	Very low	203 Å²	203	124 Å²	124	89%	0.89	82%	0.816	S	S	*	*				-178.1	177.8	114.4	-114.7	-92.4	0	0	0	113.1
94	S	23.6	Very low	26.1	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	82%	0.815	S	S	*	*			trans	-134.3	157.3	-163.3	-61.6	0	0	0	0	116.6
95	A	24.3	Very low	26.7	Very low	99 Å²	99	123 Å²	123	82%	0.818	81%	0.812	S	S	*	*			trans	87.9	161.3	145.5	0	0	0	0	0	122.5
96	A	24	Very low	27.5	Very low	99 Å²	99	118.8 Å²	118.8	82%	0.818	80%	0.801	S	S	*	*			trans	73.9	147.3	173.7	0	0	0	0	0	118.6
97	S	25.6	Very low	27.7	Very low	120 Å²	120	122.2 Å²	122.2	84%	0.839	81%	0.805	S	S	*	*			cis	-164.6	171.3	-23.7	51.5	0	0	0	0	110.8
98	A	26.7	Very low	27.7	Very low	92 Å²	92	121.2 Å²	121.2	76%	0.76	81%	0.805	S	S	*	*			trans	-87.6	-179.6	-170.1	0	0	0	0	0	115.8
99	P	34.9	Very low	28.1	Very low	121 Å²	121	126 Å²	126	79%	0.786	81%	0.806	S	S	*	*				-143.3	152.5	115.7	38.7	-26.1	0	0	0	117.8
100	N	26.4	Very low	28.3	Very low	138 Å²	138	125.3 Å²	125.3	74%	0.738	80%	0.799	S	S	*	*			trans	23.5	129.8	153.3	-64.4	-2.9	0	0	0	122
101	Q	27.4	Very low	28.6	Very low	178 Å²	178	128.8 Å²	128.8	83%	0.832	80%	0.804	S	S	*	*			cis	87.7	115	47.4	-77.2	-167.2	12.7	0	0	116.4
102	S	25	Very low	28.7	Very low	130 Å²	130	127.8 Å²	127.8	91%	0.909	80%	0.802	S	S	*	*			trans	175.6	159	133.4	40.6	0	0	0	0	112.1
103	A	26.1	Very low	29	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	81%	0.808	S	S	*	*			trans	-168.8	178	-177.3	0	0	0	0	0	110.8
104	P	49.5	Very low	29.1	Very low	120 Å²	120	123.6 Å²	123.6	78%	0.779	80%	0.798	S	S	*	*			cis	-109.8	-102.3	-20.4	28.1	-5.6	0	0	0	109.8
105	P	38.2	Very low	29.4	Very low	115 Å²	115	124.4 Å²	124.4	75%	0.747	80%	0.801	S	S	*	*			cis	-107.8	-120.3	-8.6	30.3	-5.2	0	0	0	113.7
106	P	38.9	Very low	29.5	Very low	104 Å²	104	123.9 Å²	123.9	68%	0.675	80%	0.797	S	S	*	*				-135.5	161.2	-128.5	42	-21.7	0	0	0	120.9
107	L	28.8	Very low	29.8	Very low	167 Å²	167	125 Å²	125	87%	0.874	80%	0.796	S	S	*	*			trans	68.3	122.5	147.4	-75.9	163.6	0	0	0	121.3
108	G	24.1	Very low	29.8	Very low	77 Å²	77	123.7 Å²	123.7	79%	0.794	79%	0.792	S	S	*	*			trans	-169.3	115	158.8	0	0	0	0	0	110.9
109	H	30.4	Very low	30	Very low	181 Å²	181	128.2 Å²	128.2	84%	0.838	79%	0.791	S	S	*	*			trans	-78.6	131.6	173.3	-84.4	-92.3	0	0	0	110.5
110	A	26.8	Very low	29.6	Very low	95 Å²	95	128 Å²	128	79%	0.785	79%	0.787	S	S	*	*			trans	-144.5	125.7	161.9	0	0	0	0	0	109.6
111	H	29.5	Very low	29.8	Very low	180 Å²	180	126.4 Å²	126.4	83%	0.833	79%	0.793	S	S	*	*			trans	-81	135.9	165.3	-75.2	-108.4	0	0	0	108.7
112	S	27	Very low	29.9	Very low	117 Å²	117	122.8 Å²	122.8	82%	0.818	79%	0.787	S	S	*	*			trans	-137.1	95.6	166.3	62.3	0	0	0	0	109.3	G114	S112-G114 PolarHBondContact O-N 3.16Å
113	E	27.8	Very low	30.4	Very low	192 Å²	192	118.9 Å²	118.9	90%	0.897	77%	0.767	S	S	*	*			trans	-71.6	111.3	171.9	-65.4	-178.3	132.8	0	0	109.1
114	G	26	Very low	30.9	Very low	66 Å²	66	118.2 Å²	118.2	68%	0.68	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-79.1	137.8	166.5	0	0	0	0	0	109.9	S112 A116	S112-G114 PolarHBondContact O-N 3.16Å; G114-A116 PolarHBondContact O-N 3.08Å
115	P	30.1	Very low	30.5	Very low	129 Å²	129	117 Å²	117	84%	0.838	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-69.4	122.9	-172.8	27.2	-34.4	0	0	0	111.8
116	A	26.3	Very low	30.1	Very low	87 Å²	87	122.4 Å²	122.4	72%	0.719	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-67.2	143.8	165.7	0	0	0	0	0	110.2	G114 A118	G114-A116 PolarHBondContact O-N 3.08Å; A116-A118 PolarHBondContact O-N 3.12Å
117	P	29.4	Very low	29.7	Very low	123 Å²	123	126.9 Å²	126.9	80%	0.799	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65.7	120	177.1	26.8	-33.5	0	0	0	110.4	Y119	P117-Y119 PolarHBondContact O-N 3.24Å
118	A	25.5	Very low	29.5	Very low	92 Å²	92	123.9 Å²	123.9	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.4	119	-179.3	0	0	0	0	0	111.1	A116 V120	A116-A118 PolarHBondContact O-N 3.12Å; A118-V120 PolarHBondContact O-N 2.82Å
119	Y	31	Very low	29.6	Very low	188 Å²	188	123.8 Å²	123.8	74%	0.737	75%	0.754	S	S	*	*			trans	-72.3	105.3	173.4	-120	-87.1	0	0	0	109.8	P117 A121	P117-Y119 PolarHBondContact O-N 3.24Å; Y119-A121 PolarHBondContact O-N 2.87Å
120	V	26.8	Very low	29.4	Very low	117 Å²	117	123.4 Å²	123.4	71%	0.709	76%	0.757	S	S	*	*			trans	-80.4	103.5	173.1	179.5	0	0	0	0	108.7	A118 S122	A118-V120 PolarHBondContact O-N 2.82Å; V120-S122 VanDerWaalsContact C-N 3.31Å; V120-S122 PolarHBondContact O-N 3.19Å
121	A	32.2	Very low	29.4	Very low	103 Å²	103	124.7 Å²	124.7	85%	0.851	76%	0.757	S	S	*	*			trans	-81.5	71	-179.7	0	0	0	0	0	111.9	Y119	Y119-A121 PolarHBondContact O-N 2.87Å
122	S	29.6	Very low	29.2	Very low	103 Å²	103	119.4 Å²	119.4	72%	0.72	75%	0.751	S	S	*	*			trans	-103.9	66.7	-179.9	57.3	0	0	0	0	112.9	V120	V120-S122 VanDerWaalsContact C-N 3.31Å; V120-S122 PolarHBondContact O-N 3.19Å
123	G	34.1	Very low	29.1	Very low	47 Å²	47	123.4 Å²	123.4	49%	0.485	76%	0.757	S	S	.	*			trans	-89.8	146.1	165.5	0	0	0	0	0	111.2	F125	G123-F125 PolarHBondContact O-N 3.12Å; G123-F125 VanDerWaalsContact O-N 3.07Å
124	P	37.1	Very low	28.9	Very low	79 Å²	79	118.7 Å²	118.7	51%	0.513	75%	0.751	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	0.8	-169	29.8	-36.7	0	0	0	115.7
125	F	40.3	Very low	28.8	Very low	95 Å²	95	120.3 Å²	120.3	42%	0.417	76%	0.758	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.7	26.8	-170	-61.2	-63.2	0	0	0	114.4	G123 N465 F627	G123-F125 PolarHBondContact O-N 3.12Å; G123-F125 VanDerWaalsContact O-N 3.07Å; F125-N465 HydrophobicContact CZ-CB 4.19Å; F125-F627 HydrophobicContact CZ-CB 4.49Å
126	R	30.5	Very low	28.7	Very low	228 Å²	228	119.6 Å²	119.6	86%	0.86	76%	0.756	S	S	*	*			trans	-146	70.5	-171.5	-152	-179.6	-168	-149.9	1.4	117
127	E	29.6	Very low	29.1	Very low	198 Å²	198	120.4 Å²	120.4	93%	0.925	75%	0.754	S	S	*	*			trans	-158.7	119.2	147.3	-124.5	168.6	-153.4	0	0	113.7
128	A	26.5	Very low	29	Very low	105 Å²	105	123 Å²	123	87%	0.868	76%	0.76	S	S	*	*			trans	-161.2	59.6	171.7	0	0	0	0	0	110.7
129	G	25.2	Very low	28.9	Very low	75 Å²	75	121.6 Å²	121.6	77%	0.773	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-81.8	131.4	-178.9	0	0	0	0	0	113.5
130	L	25.5	Very low	28.6	Very low	172 Å²	172	124.9 Å²	124.9	90%	0.901	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-79.9	131.3	175.8	-74.5	160.5	0	0	0	112.5
131	P	27.1	Very low	28.5	Very low	123 Å²	123	123.6 Å²	123.6	80%	0.799	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-80.4	155.5	145.9	34.5	-30.5	0	0	0	109.7
132	G	24.8	Very low	28.3	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	76%	0.762	S	S	*	*			trans	-157.2	-174.3	-173.2	0	0	0	0	0	117.3
133	Q	25.8	Very low	28	Very low	201 Å²	201	127.9 Å²	127.9	94%	0.939	76%	0.763	S	S	*	*			trans	71.5	151.4	-173.8	-45.9	-170.4	8.6	0	0	114
134	A	23.7	Very low	27.7	Very low	92 Å²	92	133 Å²	133	76%	0.76	78%	0.776	S	S	*	*			cis	-150.3	-175.8	12.2	0	0	0	0	0	113.8
135	A	24	Very low	27.1	Very low	100 Å²	100	135 Å²	135	83%	0.826	78%	0.782	S	S	*	*			trans	86.6	143.3	162.1	0	0	0	0	0	120.4
136	S	27.3	Very low	26.5	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	80%	0.802	S	S	*	*			trans	-117.8	-161.5	176.7	-34.8	0	0	0	0	108.5
137	P	36	Very low	26.3	Very low	104 Å²	104	133.3 Å²	133.3	68%	0.675	80%	0.799	S	S	*	*			cis	-146.2	-176.8	19.1	46.1	-26.2	0	0	0	117.9
138	L	26.8	Very low	26.3	Very low	176 Å²	176	131.1 Å²	131.1	92%	0.921	79%	0.793	S	S	*	*			trans	55.2	148	152.5	-68.2	155.4	0	0	0	120.2
139	G	23.1	Very low	26.9	Very low	63 Å²	63	131.1 Å²	131.1	65%	0.649	79%	0.785	S	S	*	*			cis	158	159.5	-6	0	0	0	0	0	112.4
140	R	24.4	Very low	27	Very low	257 Å²	257	138.3 Å²	138.3	97%	0.97	79%	0.788	S	S	*	*			trans	69.8	160.1	175.9	-69	-179.3	171.7	179.1	-3.5	117.4
141	A	25.8	Very low	27.1	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	78%	0.776	S	S	*	*			cis	-166.7	162.5	-25.1	0	0	0	0	0	113
142	N	26.2	Very low	27	Very low	138 Å²	138	134.3 Å²	134.3	74%	0.738	77%	0.769	S	S	*	*			trans	2.3	162.9	160.4	-106.8	27.5	0	0	0	126.3
143	E	25.3	Very low	27.2	Very low	158 Å²	158	140.7 Å²	140.7	74%	0.738	78%	0.777	S	S	*	*			trans	76.4	152.3	147.4	-80.4	159	-123.5	0	0	120.1
144	M	26.3	Very low	27.4	Very low	155 Å²	155	136.3 Å²	136.3	76%	0.764	77%	0.769	S	S	*	*			cis	-168.6	169.7	-24	-144	-171.8	-176.1	0	0	111.7
145	L	25.6	Very low	27.6	Very low	122 Å²	122	136 Å²	136	64%	0.639	77%	0.766	S	S	*	*			trans	78.1	157.6	151.3	-69.5	164.5	0	0	0	123.4
146	F	27.8	Very low	27.8	Very low	190 Å²	190	141 Å²	141	83%	0.833	78%	0.775	S	S	*	*			trans	73.2	142.6	164.6	-55.6	-62	0	0	0	118.8
147	A	25.8	Very low	27.8	Very low	97 Å²	97	139 Å²	139	80%	0.802	77%	0.773	S	S	*	*			cis	-159.5	175.8	-13.9	0	0	0	0	0	111.3
148	N	29.6	Very low	27.4	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	78%	0.783	S	S	*	*			trans	-136.9	144.2	175.6	-158.4	1.7	0	0	0	107.2
149	P	38.8	Very low	27.4	Very low	105 Å²	105	143.5 Å²	143.5	68%	0.682	78%	0.777	S	S	*	*				-159.2	-177.5	86.9	42.9	-22.6	0	0	0	117.2
150	R	27.6	Very low	27.7	Very low	226 Å²	226	150.4 Å²	150.4	85%	0.853	78%	0.784	S	S	*	*			trans	74.2	147.8	159.3	-68	-165	171.4	150.4	-1.4	118.2
151	D	27.8	Very low	27.9	Very low	121 Å²	121	148.6 Å²	148.6	65%	0.647	78%	0.777	S	S	*	*			cis	-159.2	151.5	-12.8	-128.9	-53.1	0	0	0	114.2
152	S	25	Very low	28	Very low	91 Å²	91	153.1 Å²	153.1	64%	0.636	78%	0.78	S	S	*	*			trans	64.3	160.1	144.5	-71.4	0	0	0	0	124.8
153	F	28.9	Very low	28.2	Very low	202 Å²	202	156.2 Å²	156.2	89%	0.886	79%	0.788	S	S	*	*			trans	71.3	117.8	-179	-61.3	-84.5	0	0	0	116.4
154	S	29	Very low	28.4	Very low	110 Å²	110	157.6 Å²	157.6	77%	0.769	79%	0.793	S	S	*	*			cis	99.6	129.3	41.2	179.8	0	0	0	0	111.3
155	A	28.2	Very low	28.8	Very low	86 Å²	86	157.9 Å²	157.9	71%	0.711	79%	0.793	S	S	*	*			cis	-168.3	-175.4	-11.5	0	0	0	0	0	110.7
156	M	28.4	Very low	29	Very low	204 Å²	204	159.8 Å²	159.8	100%	1.005	80%	0.804	S	S	*	*			trans	85.8	129.6	154.7	-144.8	168.9	-164.2	0	0	118.1
157	G	27	Very low	29.2	Very low	74 Å²	74	159 Å²	159	76%	0.763	80%	0.803	S	S	*	*			trans	139.3	62.8	174.4	0	0	0	0	0	116.2
158	F	27.9	Very low	29.6	Very low	202 Å²	202	159 Å²	159	89%	0.886	80%	0.797	S	S	*	*			trans	-78.4	133.2	173	-96.3	-95.8	0	0	0	112.2
159	Q	27.7	Very low	30.1	Very low	172 Å²	172	158.3 Å²	158.3	80%	0.804	80%	0.801	S	S	*	*				-161.5	119.8	125.5	-111.8	177.9	36.8	0	0	112
160	R	28.5	Very low	30.2	Very low	208 Å²	208	159.4 Å²	159.4	79%	0.785	81%	0.805	S	S	*	*			trans	-88.1	140.5	160.7	-75.1	-178.2	174.1	177.9	-2.4	108.7
161	R	28.1	Very low	31	Very low	218 Å²	218	152 Å²	152	82%	0.823	80%	0.799	S	S	*	*			trans	-123.2	134.9	150.8	-76.7	-173	174.5	179.7	-1.6	108.3
162	F	27.7	Very low	32	Very low	186 Å²	186	149.3 Å²	149.3	82%	0.816	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77.3	140.4	176.3	-75.4	-104.7	0	0	0	109.1
163	F	30.8	Very low	33.1	Very low	203 Å²	203	151.6 Å²	151.6	89%	0.89	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.6	138.1	167	-86.9	-95.1	0	0	0	109.7
164	H	29.7	Very low	35.3	Very low	186 Å²	186	145.2 Å²	145.2	86%	0.861	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-69.9	140.9	164.4	-123.1	-93.2	0	0	0	109.1
165	Q	35.2	Very low	36.9	Very low	162 Å²	162	143.9 Å²	143.9	76%	0.757	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-95.8	117.8	-178.7	-175.1	177.8	21.7	0	0	109.2
166	D	29.7	Very low	38.6	Very low	162 Å²	162	146.8 Å²	146.8	87%	0.866	78%	0.777	S	S	*	*			trans	-127.5	137.8	167.4	-110.7	-41	0	0	0	109
167	Q	32.4	Very low	40.5	Very low	172 Å²	172	140.1 Å²	140.1	80%	0.804	75%	0.745	S	S	*	*			trans	-105.3	132.3	-172.9	-65.5	-176.2	0.4	0	0	111.3
168	S	32.8	Very low	42.6	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	73%	0.729	S	S	*	*			trans	-140.5	139.3	157.5	59.9	0	0	0	0	109.8	V170	S168-V170 PolarHBondContact O-N 3.12Å
169	P	40.8	Very low	44.3	Very low	137 Å²	137	134.9 Å²	134.9	89%	0.89	71%	0.705	S	S	*	*			trans	-86.1	72.1	-167.5	34.7	-36.7	0	0	0	112	G171	P169-G171 PolarHBondContact O-N 3.16Å
170	V	40.8	Very low	46.1	Very low	128 Å²	128	133.2 Å²	133.2	78%	0.776	70%	0.695	S	S	*	*			trans	-78.2	112.6	163.6	-175.3	0	0	0	0	107.8	S168 G172	S168-V170 PolarHBondContact O-N 3.12Å; V170-G172 PolarHBondContact O-N 3.15Å
171	G	44.9	Very low	47.5	Very low	71 Å²	71	126.2 Å²	126.2	73%	0.732	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-57.4	121.2	175.2	0	0	0	0	0	110.5	P169	P169-G171 PolarHBondContact O-N 3.16Å
172	G	47.9	Very low	49.1	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-64	137.4	179.8	0	0	0	0	0	111.3	V170 T174	V170-G172 PolarHBondContact O-N 3.15Å; G172-T174 PolarHBondContact O-N 3.19Å; G172-T174 VanDerWaalsContact O-N 3.16Å
173	L	49.4	Very low	50.1	Low	139 Å²	139	120.1 Å²	120.1	73%	0.728	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-48.2	120.9	172.6	-73.6	162.3	0	0	0	109.7	D177 I178	L173-D177 HydrophobicContact CD2-CB 4.08Å; L173-I178 HydrophobicContact CB-CG1 4.32Å
174	T	73.7	Confident	50.9	Low	67 Å²	67	113.3 Å²	113.3	41%	0.411	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-71.8	163.2	-177.9	68.6	0	0	0	0	110.5	G172 E176 D177 I178	G172-T174 PolarHBondContact O-N 3.19Å; G172-T174 VanDerWaalsContact O-N 3.16Å; T174-E176 PolarHBondContact O-N 3.49Å; T174-E176 PolarHBondContact OG1-N 3Å; T174-D177 WeakPolarHBondContact CB-OD2 3.42Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.43Å; T174-D177 PolarHBondContact N-OD2 3.29Å; T174-D177 PolarHBondContact O-N 3.19Å; T174-D177 VanDerWaalsContact O-N 3.1Å; T174-D177 PolarHBondContact OG1-N 2.93Å; T174-D177 PolarHBondContact OG1-OD2 3.47Å; T174-I178 WeakPolarHBondContact O-CG1 3.25Å; T174-I178 PolarHBondContact O-N 2.74Å
175	A	63.1	Low	51.8	Low	83 Å²	83	113.5 Å²	113.5	69%	0.686	64%	0.638	S	S	*	*	H	α-helix	trans	-56.7	-33.4	170.3	0	0	0	0	0	111.5	I178 E179	A175-I178 PolarHBondContact O-N 3.47Å; A175-E179 VanDerWaalsContact O-CB 3.29Å; A175-E179 WeakPolarHBondContact O-CB 3.35Å; A175-E179 PolarHBondContact O-N 3.31Å
176	E	64.4	Low	51.7	Low	147 Å²	147	109.6 Å²	109.6	69%	0.687	63%	0.634	S	S	*	*	H	α-helix	trans	-70.8	-33.6	175.9	-60	-171.5	170.3	0	0	113.1	T174 K180	T174-E176 PolarHBondContact O-N 3.49Å; T174-E176 PolarHBondContact OG1-N 3Å; E176-K180 VanDerWaalsContact O-CB 3.29Å; E176-K180 WeakPolarHBondContact O-CB 3.3Å; E176-K180 WeakPolarHBondContact O-CG 3.25Å; E176-K180 PolarHBondContact O-N 3.46Å
177	D	68.3	Low	51.9	Low	63 Å²	63	111 Å²	111	34%	0.337	63%	0.627	S	S	.	*	H	α-helix	trans	-69.5	-40.3	173.7	-61.5	-55	0	0	0	111.4	L173 T174 E179 K180 A181	L173-D177 HydrophobicContact CD2-CB 4.08Å; T174-D177 WeakPolarHBondContact CB-OD2 3.42Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.43Å; T174-D177 PolarHBondContact N-OD2 3.29Å; T174-D177 PolarHBondContact O-N 3.19Å; T174-D177 VanDerWaalsContact O-N 3.1Å; T174-D177 PolarHBondContact OG1-N 2.93Å; T174-D177 PolarHBondContact OG1-OD2 3.47Å; D177-E179 VanDerWaalsContact C-N 3.34Å; D177-K180 PolarHBondContact O-N 2.91Å; D177-A181 VanDerWaalsContact O-CB 3.28Å; D177-A181 WeakPolarHBondContact O-CB 3.29Å; D177-A181 PolarHBondContact O-N 2.98Å
178	I	71.7	Confident	52	Low	82 Å²	82	108.5 Å²	108.5	42%	0.421	63%	0.626	S	S	.	*	H	α-helix	trans	-66	-40	175.5	-65.4	168.3	0	0	0	110.2	L173 T174 A175 A181 R182	L173-I178 HydrophobicContact CB-CG1 4.32Å; T174-I178 WeakPolarHBondContact O-CG1 3.25Å; T174-I178 PolarHBondContact O-N 2.74Å; A175-I178 PolarHBondContact O-N 3.47Å; I178-A181 PolarHBondContact O-N 3.1Å; I178-R182 WeakPolarHBondContact O-CB 3.41Å; I178-R182 WeakPolarHBondContact O-CG 3.46Å; I178-R182 PolarHBondContact O-N 2.7Å
179	E	61.8	Low	52.1	Low	84 Å²	84	111.5 Å²	111.5	39%	0.393	63%	0.629	S	S	.	*	H	α-helix	trans	-75.2	-34.3	178.5	-155.4	61.9	-162.5	0	0	111.9	A175 D177 R182 Q183	A175-E179 VanDerWaalsContact O-CB 3.29Å; A175-E179 WeakPolarHBondContact O-CB 3.35Å; A175-E179 PolarHBondContact O-N 3.31Å; D177-E179 VanDerWaalsContact C-N 3.34Å; E179-R182 WeakPolarHBondContact O-CB 3.26Å; E179-R182 PolarHBondContact O-N 3.27Å; E179-R182 VanDerWaalsContact OE2-CD 3.26Å; E179-R182 WeakPolarHBondContact OE2-CD 3.15Å; E179-R182 IonicContact OE2-NH1 3.21Å; E179-R182 PolarHBondContact OE2-NH1 3.05Å; E179-Q183 WeakPolarHBondContact O-CB 3.45Å; E179-Q183 VanDerWaalsContact O-CG 3.29Å; E179-Q183 WeakPolarHBondContact O-CG 3.42Å; E179-Q183 PolarHBondContact O-N 2.94Å
180	K	65.9	Low	52	Low	137 Å²	137	109.7 Å²	109.7	60%	0.596	61%	0.612	S	S	*	*	H	α-helix	trans	-59.7	-46.6	165.4	-90	174.1	177.9	159.9	0	111.7	E176 D177 R182 Q183 A184	E176-K180 VanDerWaalsContact O-CB 3.29Å; E176-K180 WeakPolarHBondContact O-CB 3.3Å; E176-K180 WeakPolarHBondContact O-CG 3.25Å; E176-K180 PolarHBondContact O-N 3.46Å; D177-K180 PolarHBondContact O-N 2.91Å; K180-R182 VanDerWaalsContact C-N 3.28Å; K180-R182 PolarHBondContact O-N 3.44Å; K180-Q183 PolarHBondContact O-N 3Å; K180-A184 WeakPolarHBondContact O-CB 3.46Å; K180-A184 PolarHBondContact O-N 3.1Å
181	A	58.7	Low	51.7	Low	61 Å²	61	112.2 Å²	112.2	50%	0.504	61%	0.612	S	S	.	*	H	α-helix	trans	-63.4	-35.8	177.9	0	0	0	0	0	111.6	D177 I178 K185	D177-A181 VanDerWaalsContact O-CB 3.28Å; D177-A181 WeakPolarHBondContact O-CB 3.29Å; D177-A181 PolarHBondContact O-N 2.98Å; I178-A181 PolarHBondContact O-N 3.1Å; A181-K185 VanDerWaalsContact O-CB 3.24Å; A181-K185 WeakPolarHBondContact O-CB 3.49Å; A181-K185 PolarHBondContact O-N 2.83Å; A181-K185 VanDerWaalsContact O-N 3.16Å
182	R	60.3	Low	51.6	Low	158 Å²	158	114.1 Å²	114.1	60%	0.596	60%	0.602	S	S	*	*	H	α-helix	trans	-65.8	-47.8	169.8	-81	173.2	159.9	-176.1	-4.9	112.4	I178 E179 K180 A184 K185 A186	I178-R182 WeakPolarHBondContact O-CB 3.41Å; I178-R182 WeakPolarHBondContact O-CG 3.46Å; I178-R182 PolarHBondContact O-N 2.7Å; E179-R182 WeakPolarHBondContact O-CB 3.26Å; E179-R182 PolarHBondContact O-N 3.27Å; E179-R182 VanDerWaalsContact OE2-CD 3.26Å; E179-R182 WeakPolarHBondContact OE2-CD 3.15Å; E179-R182 IonicContact OE2-NH1 3.21Å; E179-R182 PolarHBondContact OE2-NH1 3.05Å; K180-R182 VanDerWaalsContact C-N 3.28Å; K180-R182 PolarHBondContact O-N 3.44Å; R182-A184 PolarHBondContact O-N 3.18Å; R182-K185 CarbonylContact O-C 3.56Å; R182-K185 PolarHBondContact O-N 2.85Å; R182-K185 VanDerWaalsContact O-N 3.08Å; R182-A186 WeakPolarHBondContact O-CB 3.14Å; R182-A186 PolarHBondContact O-N 3.17Å
183	Q	48.9	Very low	51.7	Low	119 Å²	119	116.4 Å²	116.4	56%	0.556	60%	0.595	S	S	*	*	H	α-helix	trans	-65.8	-36.7	-179.9	-72.4	176.1	21.8	0	0	112.5	E179 K180 K185 A186 R187	E179-Q183 WeakPolarHBondContact O-CB 3.45Å; E179-Q183 VanDerWaalsContact O-CG 3.29Å; E179-Q183 WeakPolarHBondContact O-CG 3.42Å; E179-Q183 PolarHBondContact O-N 2.94Å; K180-Q183 PolarHBondContact O-N 3Å; Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.06Å; Q183-A186 PolarHBondContact O-N 3.4Å; Q183-R187 WeakPolarHBondContact O-CG 3.45Å; Q183-R187 PolarHBondContact O-N 3.02Å
184	A	49	Very low	52	Low	59 Å²	59	114.2 Å²	114.2	49%	0.488	58%	0.58	S	S	.	*	H	α-helix	trans	-64.3	-31.7	171.2	0	0	0	0	0	112.6	K180 R182	K180-A184 WeakPolarHBondContact O-CB 3.46Å; K180-A184 PolarHBondContact O-N 3.1Å; R182-A184 PolarHBondContact O-N 3.18Å
185	K	47	Very low	51.2	Low	190 Å²	190	113.9 Å²	113.9	83%	0.826	57%	0.574	S	S	*	*	H	α-helix	trans	-90.6	-16.2	178.4	-161.4	172.9	-174.1	178.2	0	114	A181 R182 Q183	A181-K185 VanDerWaalsContact O-CB 3.24Å; A181-K185 WeakPolarHBondContact O-CB 3.49Å; A181-K185 PolarHBondContact O-N 2.83Å; A181-K185 VanDerWaalsContact O-N 3.16Å; R182-K185 CarbonylContact O-C 3.56Å; R182-K185 PolarHBondContact O-N 2.85Å; R182-K185 VanDerWaalsContact O-N 3.08Å; Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.06Å
186	A	34.8	Very low	51	Low	81 Å²	81	115.7 Å²	115.7	67%	0.669	58%	0.576	S	S	*	*	H	α-helix	trans	-99.6	-20.7	179.3	0	0	0	0	0	112.8	R182 Q183 P188	R182-A186 WeakPolarHBondContact O-CB 3.14Å; R182-A186 PolarHBondContact O-N 3.17Å; Q183-A186 PolarHBondContact O-N 3.4Å; A186-P188 WeakPolarHBondContact O-CD 3.37Å
187	R	32.6	Very low	51	Low	190 Å²	190	109.6 Å²	109.6	72%	0.717	55%	0.549	S	S	*	.	S	Bend	trans	-62.3	125.7	152.1	-76.5	-179.3	176.2	-172.3	-1.4	107.4	Q183 E189	Q183-R187 WeakPolarHBondContact O-CG 3.45Å; Q183-R187 PolarHBondContact O-N 3.02Å; R187-E189 PolarHBondContact O-N 2.89Å
188	P	34.1	Very low	50.8	Low	120 Å²	120	108.7 Å²	108.7	78%	0.779	55%	0.547	S	S	*	.			trans	-68.4	91.2	159.7	29.4	-30.7	0	0	0	106.7	A186 N190	A186-P188 WeakPolarHBondContact O-CD 3.37Å; P188-N190 VanDerWaalsContact C-N 3.31Å; P188-N190 PolarHBondContact O-N 2.68Å
189	E	35.4	Very low	50.2	Low	161 Å²	161	113.5 Å²	113.5	75%	0.752	57%	0.568	S	S	*	*			trans	-57.1	106.9	159.7	-78.2	-161.6	156.1	0	0	106.5	R187 K191	R187-E189 PolarHBondContact O-N 2.89Å; E189-K191 VanDerWaalsContact C-N 3.3Å; E189-K191 PolarHBondContact O-N 2.81Å
190	N	38.3	Very low	50.2	Low	99 Å²	99	115.8 Å²	115.8	53%	0.529	58%	0.578	S	S	.	*			trans	-67.2	92.1	-170.1	-174.5	2.5	0	0	0	107.9	P188 Q192 Q499	P188-N190 VanDerWaalsContact C-N 3.31Å; P188-N190 PolarHBondContact O-N 2.68Å; N190-Q192 PolarHBondContact O-N 2.71Å; N190-Q499 PolarHBondContact ND2-NE2 3.41Å; N190-Q499 PolarHBondContact ND2-OE1 3.32Å; N190-Q499 PolarHBondContact OD1-NE2 3.11Å
191	K	35.8	Very low	50.2	Low	180 Å²	180	109.8 Å²	109.8	78%	0.783	55%	0.554	S	S	*	*			trans	-63.9	87	177.8	-75.2	-170.6	176.8	-175	0	108.6	E189 H193	E189-K191 VanDerWaalsContact C-N 3.3Å; E189-K191 PolarHBondContact O-N 2.81Å; K191-H193 PolarHBondContact O-N 3.08Å; K191-H193 VanDerWaalsContact O-N 3.1Å; K191-H193 PolarHBondContact O-ND1 3.42Å
192	Q	42.6	Very low	50.8	Low	111 Å²	111	114.6 Å²	114.6	52%	0.519	56%	0.559	S	S	.	*			trans	-39.8	120.7	154.4	-68.7	179.3	-26.9	0	0	106.5	N190 K194	N190-Q192 PolarHBondContact O-N 2.71Å; Q192-K194 HydrophobicContact CB-CG 4.08Å; Q192-K194 PolarHBondContact O-N 3.18Å
193	H	50.7	Low	51.6	Low	113 Å²	113	112.5 Å²	112.5	52%	0.523	56%	0.556	S	S	.	*			trans	-72	68.5	174.9	-91.8	62	0	0	0	108.7	K191 Q195 G450 F451	K191-H193 PolarHBondContact O-N 3.08Å; K191-H193 VanDerWaalsContact O-N 3.1Å; K191-H193 PolarHBondContact O-ND1 3.42Å; H193-Q195 PolarHBondContact O-N 2.71Å; H193-G450 WeakPolarHBondContact CB-O 3.42Å; H193-F451 HydrophobicContact CB-CB 4.23Å
194	K	53.9	Low	53	Low	93 Å²	93	110.6 Å²	110.6	40%	0.404	54%	0.544	S	S	.	.			trans	-64.8	117.1	169.2	-62.5	-156.4	174.8	-152.6	0	106	Q192 T196 E354	Q192-K194 HydrophobicContact CB-CG 4.08Å; Q192-K194 PolarHBondContact O-N 3.18Å; K194-T196 PolarHBondContact O-N 3.1Å; K194-E354 IonicContact NZ-OE2 2.7Å; K194-E354 PolarHBondContact NZ-OE2 2.77Å; K194-E354 VanDerWaalsContact NZ-OE2 3.17Å
195	Q	57.4	Low	54.4	Low	60 Å²	60	115.3 Å²	115.3	28%	0.28	55%	0.553	S	S	.	*			trans	-52.2	141.8	172.5	-78.5	-170.8	-52.1	0	0	109.6	H193 F336 A337 F495	H193-Q195 PolarHBondContact O-N 2.71Å; Q195-F336 HydrophobicContact CB-CD2 3.75Å; Q195-F336 HydrophobicContact CB-CE2 4.18Å; Q195-F336 WeakPolarHBondContact O-CB 3.34Å; Q195-A337 HydrophobicContact CB-CB 4.46Å; Q195-F495 HydrophobicContact CG-CE1 3.81Å; Q195-F495 HydrophobicContact CG-CZ 4.32Å
196	T	59.8	Low	55.9	Low	121 Å²	121	106.3 Å²	106.3	74%	0.742	52%	0.515	S	S	*	.			trans	-126	141.4	172.2	51	0	0	0	0	108.9	K194 F336	K194-T196 PolarHBondContact O-N 3.1Å; T196-F336 CarbonylContact C-O 3.59Å; T196-F336 WeakPolarHBondContact CA-O 3.4Å
197	L	64.2	Low	57.8	Low	20 Å²	20	103.3 Å²	103.3	11%	0.105	49%	0.488	C	S	.	.			trans	-60.1	145	166	-69.8	179.6	0	0	0	109.3	E199 A201 F306 P335 F336 A338	L197-E199 PolarHBondContact O-N 2.66Å; L197-A201 HydrophobicContact CB-CB 4.12Å; L197-A201 HydrophobicContact CD1-CB 4.46Å; L197-F306 HydrophobicContact CD1-CB 4.17Å; L197-F306 HydrophobicContact CD1-CD1 3.91Å; L197-F306 HydrophobicContact CD1-CG 4.33Å; L197-P335 HydrophobicContact CD1-CB 4.49Å; L197-P335 HydrophobicContact CD1-CG 4.06Å; L197-P335 WeakPolarHBondContact CD1-O 3.45Å; L197-P335 WeakPolarHBondContact CG-O 3.33Å; L197-F336 PolarHBondContact N-O 3.12Å; L197-A338 HydrophobicContact CD2-CB 4.26Å
198	S	63.8	Low	59.9	Low	44 Å²	44	97.7 Å²	97.7	31%	0.308	48%	0.475	S	S	.	.			trans	-44.7	139.5	171.1	174.2	0	0	0	0	111.4	H200 A201 Q302	S198-H200 PolarHBondContact O-N 2.93Å; S198-H200 PolarHBondContact OG-N 3.46Å; S198-A201 VanDerWaalsContact O-CB 3.31Å; S198-A201 WeakPolarHBondContact O-CB 3.25Å; S198-A201 PolarHBondContact O-N 2.82Å; S198-Q302 WeakPolarHBondContact CB-O 3.47Å
199	E	59.2	Low	61.9	Low	183 Å²	183	96.2 Å²	96.2	86%	0.855	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.6	175.5	-58.6	-169.9	155.9	0	0	113.1	L197	L197-E199 PolarHBondContact O-N 2.66Å
200	H	62.3	Low	63.6	Low	132 Å²	132	96.3 Å²	96.3	61%	0.611	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.2	179.1	-60.1	-13.2	0	0	0	114.3	S198 R202	S198-H200 PolarHBondContact O-N 2.93Å; S198-H200 PolarHBondContact OG-N 3.46Å; H200-R202 WeakPolarHBondContact O-CG 3.36Å
201	A	64.9	Low	65.2	Low	11 Å²	11	98.1 Å²	98.1	9%	0.091	47%	0.465	C	S	.	.			trans	-66.9	131.4	179.8	0	0	0	0	0	111.6	L197 S198	L197-A201 HydrophobicContact CB-CB 4.12Å; L197-A201 HydrophobicContact CD1-CB 4.46Å; S198-A201 VanDerWaalsContact O-CB 3.31Å; S198-A201 WeakPolarHBondContact O-CB 3.25Å; S198-A201 PolarHBondContact O-N 2.82Å
202	R	72.4	Confident	67.1	Low	162 Å²	162	90.8 Å²	90.8	61%	0.611	44%	0.441	S	S	*	.			trans	-121.8	157.5	-176.8	-48.5	-167.1	-172.1	-170.9	-1.6	111.6	H200 R204 D305 F306	H200-R202 WeakPolarHBondContact O-CG 3.36Å; R202-R204 PolarHBondContact O-N 2.86Å; R202-D305 PolarHBondContact N-OD1 2.91Å; R202-D305 CarbonylContact O-C 3.44Å; R202-D305 VanDerWaalsContact O-CA 3.3Å; R202-D305 WeakPolarHBondContact O-CA 3.32Å; R202-D305 VanDerWaalsContact O-CB 3.28Å; R202-D305 WeakPolarHBondContact O-CB 3.29Å; R202-F306 PolarHBondContact O-N 2.86Å
203	E	76.6	Confident	68.6	Low	113 Å²	113	85.6 Å²	85.6	53%	0.528	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-68.6	117.4	170.8	-169.2	-173.4	174.9	0	0	109.4	F306 P308	E203-F306 HydrophobicContact CB-CD2 4.17Å; E203-F306 HydrophobicContact CB-CE1 4.49Å; E203-F306 HydrophobicContact CB-CE2 3.56Å; E203-F306 HydrophobicContact CB-CZ 3.75Å; E203-F306 HydrophobicContact CG-CD2 4.24Å; E203-F306 HydrophobicContact CG-CE2 3.85Å; E203-P308 HydrophobicContact CG-CB 4.2Å; E203-P308 HydrophobicContact CG-CG 3.94Å; E203-P308 WeakPolarHBondContact OE1-CA 3.25Å; E203-P308 WeakPolarHBondContact OE1-CB 3.46Å
204	R	78.6	Confident	69.7	Low	79 Å²	79	84.8 Å²	84.8	30%	0.298	42%	0.416	S	S	.	.			trans	-139.8	125.9	175.3	-61.5	-162.8	-168.9	147.7	3.4	112.9	R202 V206 R271 D305 F306 P308	R202-R204 PolarHBondContact O-N 2.86Å; R204-V206 PolarHBondContact O-N 2.79Å; R204-R271 PolarHBondContact O-NH2 3.43Å; R204-D305 HydrophobicContact CB-CB 4Å; R204-D305 WeakPolarHBondContact CD-OD2 3.47Å; R204-D305 HydrophobicContact CG-CB 4.01Å; R204-D305 IonicContact CZ-OD1 3.16Å; R204-D305 IonicContact CZ-OD2 3.42Å; R204-D305 IonicContact NE-OD1 2.84Å; R204-D305 PolarHBondContact NE-OD1 3.42Å; R204-D305 IonicContact NE-OD2 3.63Å; R204-D305 PolarHBondContact NE-OD2 2.94Å; R204-D305 IonicContact NH1-OD1 2.68Å; R204-D305 IonicContact NH1-OD2 2.8Å; R204-D305 PolarHBondContact NH1-OD2 2.85Å; R204-D305 IonicContact NH2-OD1 2.74Å; R204-D305 IonicContact NH2-OD2 3.16Å; R204-F306 PolarHBondContact N-O 3.41Å; R204-P308 WeakPolarHBondContact O-CD 3.37Å
205	K	78.3	Confident	70.8	Confident	158 Å²	158	83.4 Å²	83.4	69%	0.687	42%	0.422	S	S	*	.			trans	-52.5	125.6	178.3	-171.7	178.8	-179.9	177.6	0	112.5	P308	K205-P308 HydrophobicContact CB-CG 4.2Å
206	V	77.5	Confident	71.7	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.012	41%	0.414	C	S	.	.			trans	-67.4	127.9	171.3	-178.8	0	0	0	0	109	R204 V208 M307 Q311 Y361 P362	R204-V206 PolarHBondContact O-N 2.79Å; V206-V208 PolarHBondContact O-N 3.21Å; V206-M307 HydrophobicContact CG2-CB 3.91Å; V206-M307 HydrophobicContact CG2-CG 3.88Å; V206-M307 HydrophobicContact CG2-SD 3.95Å; V206-Q311 PolarHBondContact O-NE2 2.89Å; V206-Y361 HydrophobicContact CG2-CD1 3.72Å; V206-Y361 HydrophobicContact CG2-CE1 4.46Å; V206-Y361 HydrophobicContact CG2-CG 4.1Å; V206-P362 HydrophobicContact CB-CG 4.45Å
207	P	76.3	Confident	72.3	Confident	17 Å²	17	76.3 Å²	76.3	11%	0.11	38%	0.38	C	S	.	.			trans	-72	109.5	171	29.6	-33.5	0	0	0	110.3	R213 K269	P207-R213 HydrophobicContact CB-CG 3.78Å; P207-R213 HydrophobicContact CG-CG 3.74Å; P207-R213 VanDerWaalsContact O-CZ 3.29Å; P207-R213 PolarHBondContact O-NE 3.38Å; P207-R213 PolarHBondContact O-NH2 3.21Å; P207-K269 WeakPolarHBondContact CD-O 3.24Å
208	V	75.9	Confident	72.7	Confident	72 Å²	72	77 Å²	77	44%	0.436	39%	0.393	S	S	.	.			trans	-86.4	-22.1	-173.8	-168.7	0	0	0	0	113.1	V206 P362	V206-V208 PolarHBondContact O-N 3.21Å; V208-P362 HydrophobicContact CG1-CB 4.45Å; V208-P362 HydrophobicContact CG2-CB 4.4Å; V208-P362 HydrophobicContact CG2-CG 4.16Å
209	T	76.3	Confident	73.4	Confident	89 Å²	89	77.2 Å²	77.2	55%	0.546	40%	0.401	S	S	.	.	S	Bend	trans	-103.4	147.5	-176.3	63.1	0	0	0	0	112.3	I211 G212 R213	T209-I211 VanDerWaalsContact C-N 3.31Å; T209-I211 PolarHBondContact O-N 3.27Å; T209-G212 CarbonylContact O-C 3.56Å; T209-G212 WeakPolarHBondContact O-CA 3.23Å; T209-G212 PolarHBondContact O-N 3.19Å; T209-G212 PolarHBondContact OG1-N 2.94Å; T209-G212 VanDerWaalsContact OG1-N 3.17Å; T209-R213 PolarHBondContact O-N 2.94Å
210	R	70.8	Confident	74.2	Confident	163 Å²	163	68.7 Å²	68.7	62%	0.615	36%	0.362	S	S	*	.	H	α-helix	trans	-55.6	-43	177.1	-68.9	-177.1	179.3	170.9	-0.1	112.6	R213 L214 Q366	R210-R213 PolarHBondContact O-N 3.1Å; R210-L214 WeakPolarHBondContact O-CB 3.31Å; R210-L214 PolarHBondContact O-N 2.87Å; R210-Q366 PolarHBondContact NE-O 2.94Å; R210-Q366 PolarHBondContact NH2-O 3.1Å
211	I	72.2	Confident	74.7	Confident	138 Å²	138	64 Å²	64	71%	0.708	35%	0.346	S	S	*	.	H	α-helix	trans	-62.1	-44.3	174.5	-61.3	165.9	0	0	0	110.9	T209 R213 L214 A215	T209-I211 VanDerWaalsContact C-N 3.31Å; T209-I211 PolarHBondContact O-N 3.27Å; I211-R213 VanDerWaalsContact C-N 3.27Å; I211-R213 PolarHBondContact O-N 3.04Å; I211-L214 PolarHBondContact O-N 3.36Å; I211-A215 WeakPolarHBondContact O-CB 3.41Å; I211-A215 PolarHBondContact O-N 3.46Å
212	G	74.6	Confident	75.3	Confident	26 Å²	26	67.6 Å²	67.6	27%	0.268	37%	0.367	S	S	.	.	H	α-helix	trans	-67.9	-22.4	177.8	0	0	0	0	0	114.3	T209 N216	T209-G212 CarbonylContact O-C 3.56Å; T209-G212 WeakPolarHBondContact O-CA 3.23Å; T209-G212 PolarHBondContact O-N 3.19Å; T209-G212 PolarHBondContact OG1-N 2.94Å; T209-G212 VanDerWaalsContact OG1-N 3.17Å; G212-N216 PolarHBondContact O-ND2 2.98Å
213	R	75.2	Confident	75.5	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-79.7	-51.9	169.9	-72.7	178.5	178.4	-104.4	-1.1	111.1	P207 T209 R210 I211 A215 N216 F217 V270 S367 D371	P207-R213 HydrophobicContact CB-CG 3.78Å; P207-R213 HydrophobicContact CG-CG 3.74Å; P207-R213 VanDerWaalsContact O-CZ 3.29Å; P207-R213 PolarHBondContact O-NE 3.38Å; P207-R213 PolarHBondContact O-NH2 3.21Å; T209-R213 PolarHBondContact O-N 2.94Å; R210-R213 PolarHBondContact O-N 3.1Å; I211-R213 VanDerWaalsContact C-N 3.27Å; I211-R213 PolarHBondContact O-N 3.04Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 3.13Å; R213-N216 WeakPolarHBondContact O-CB 3.48Å; R213-N216 PolarHBondContact O-N 3.37Å; R213-N216 PolarHBondContact O-ND2 2.96Å; R213-F217 WeakPolarHBondContact O-CD2 3.14Å; R213-V270 PolarHBondContact NH1-O 2.86Å; R213-V270 VanDerWaalsContact NH1-O 3.17Å; R213-S367 WeakPolarHBondContact CD-OG 3.24Å; R213-S367 PolarHBondContact NE-OG 3.18Å; R213-S367 PolarHBondContact NH1-OG 3.47Å; R213-D371 WeakPolarHBondContact CD-OD1 3.4Å; R213-D371 WeakPolarHBondContact CD-OD2 3.45Å; R213-D371 IonicContact CZ-OD2 3.3Å; R213-D371 IonicContact NE-OD2 3.41Å; R213-D371 IonicContact NH1-OD1 3.37Å; R213-D371 IonicContact NH1-OD2 2.77Å; R213-D371 PolarHBondContact NH1-OD2 3.35Å
214	L	73.4	Confident	75.4	Confident	97 Å²	97	55.3 Å²	55.3	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-53	-41.9	177	-178.4	64.5	0	0	0	112.5	R210 I211 N216 F217 G218	R210-L214 WeakPolarHBondContact O-CB 3.31Å; R210-L214 PolarHBondContact O-N 2.87Å; I211-L214 PolarHBondContact O-N 3.36Å; L214-N216 PolarHBondContact O-N 3.05Å; L214-F217 PolarHBondContact O-N 3.26Å; L214-F217 VanDerWaalsContact O-N 3.14Å; L214-G218 PolarHBondContact O-N 3.08Å
215	A	76.3	Confident	75	Confident	64 Å²	64	52.7 Å²	52.7	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-28	177.4	0	0	0	0	0	113.8	I211 R213 G219	I211-A215 WeakPolarHBondContact O-CB 3.41Å; I211-A215 PolarHBondContact O-N 3.46Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 3.13Å; A215-G219 PolarHBondContact O-N 2.92Å; A215-G219 VanDerWaalsContact O-N 3.11Å
216	N	77.1	Confident	74.9	Confident	21 Å²	21	51.8 Å²	51.8	11%	0.112	31%	0.314	C	S	.	.	H	α-helix	trans	-74.2	-42.6	175.6	-54.4	-52.5	0	0	0	111.4	G212 R213 L214 G219 L220 T266 K269 V270	G212-N216 PolarHBondContact O-ND2 2.98Å; R213-N216 WeakPolarHBondContact O-CB 3.48Å; R213-N216 PolarHBondContact O-N 3.37Å; R213-N216 PolarHBondContact O-ND2 2.96Å; L214-N216 PolarHBondContact O-N 3.05Å; N216-G219 PolarHBondContact O-N 3.2Å; N216-L220 PolarHBondContact O-N 3.35Å; N216-T266 HydrophobicContact CB-CG2 4.39Å; N216-K269 HydrophobicContact CB-CD 4.46Å; N216-K269 WeakPolarHBondContact OD1-CD 3.38Å; N216-K269 WeakPolarHBondContact OD1-CE 3.4Å; N216-K269 PolarHBondContact OD1-NZ 3.31Å; N216-V270 HydrophobicContact CB-CG1 4.21Å
217	F	73.2	Confident	74.5	Confident	10 Å²	10	52 Å²	52	4%	0.044	32%	0.316	C	S	.	.	H	α-helix	trans	-69.2	-39.2	177.8	-70.2	-78.8	0	0	0	112.1	R213 L214 L220 A221 V270 N374 L375 V378	R213-F217 WeakPolarHBondContact O-CD2 3.14Å; L214-F217 PolarHBondContact O-N 3.26Å; L214-F217 VanDerWaalsContact O-N 3.14Å; F217-L220 WeakPolarHBondContact O-CB 3.49Å; F217-L220 PolarHBondContact O-N 3.33Å; F217-A221 PolarHBondContact O-N 2.91Å; F217-V270 HydrophobicContact CD2-CG1 4.3Å; F217-V270 HydrophobicContact CE1-CG2 4.5Å; F217-V270 HydrophobicContact CE2-CB 4.3Å; F217-V270 HydrophobicContact CE2-CG1 3.74Å; F217-V270 HydrophobicContact CE2-CG2 4.45Å; F217-V270 HydrophobicContact CZ-CB 4.22Å; F217-V270 HydrophobicContact CZ-CG1 3.95Å; F217-V270 HydrophobicContact CZ-CG2 3.88Å; F217-N374 HydrophobicContact CB-CB 4Å; F217-N374 HydrophobicContact CD1-CB 3.68Å; F217-N374 HydrophobicContact CD2-CB 3.39Å; F217-N374 WeakPolarHBondContact CD2-ND2 3.13Å; F217-N374 HydrophobicContact CE1-CB 3.83Å; F217-N374 HydrophobicContact CE2-CB 3.54Å; F217-N374 HydrophobicContact CG-CB 3.44Å; F217-N374 VanDerWaalsContact CG-CB 3.44Å; F217-N374 HydrophobicContact CZ-CB 3.74Å; F217-L375 HydrophobicContact CE1-CB 4.47Å; F217-V378 HydrophobicContact CD1-CG2 4.14Å
218	G	72.3	Confident	74.3	Confident	35 Å²	35	51.5 Å²	51.5	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-43.2	170.9	0	0	0	0	0	112.3	L214 L220 A221 V222	L214-G218 PolarHBondContact O-N 3.08Å; G218-L220 VanDerWaalsContact C-N 3.31Å; G218-L220 PolarHBondContact O-N 2.78Å; G218-A221 PolarHBondContact O-N 3.02Å; G218-V222 WeakPolarHBondContact O-CG2 3.5Å; G218-V222 PolarHBondContact O-N 2.9Å
219	G	77.6	Confident	74.2	Confident	48 Å²	48	53.9 Å²	53.9	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-35	173.1	0	0	0	0	0	113.6	A215 N216 G223	A215-G219 PolarHBondContact O-N 2.92Å; A215-G219 VanDerWaalsContact O-N 3.11Å; N216-G219 PolarHBondContact O-N 3.2Å; G219-G223 PolarHBondContact O-N 3.03Å
220	L	77.3	Confident	74.1	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-50.5	172.5	175.7	61.1	0	0	0	111.7	N216 F217 G218 V222 G223 L224 R262 I263 T266 V378	N216-L220 PolarHBondContact O-N 3.35Å; F217-L220 WeakPolarHBondContact O-CB 3.49Å; F217-L220 PolarHBondContact O-N 3.33Å; G218-L220 VanDerWaalsContact C-N 3.31Å; G218-L220 PolarHBondContact O-N 2.78Å; L220-V222 VanDerWaalsContact C-N 3.3Å; L220-V222 PolarHBondContact O-N 3.01Å; L220-G223 CarbonylContact O-C 3.56Å; L220-G223 WeakPolarHBondContact O-CA 3.41Å; L220-G223 PolarHBondContact O-N 3.25Å; L220-L224 HydrophobicContact CD1-CD1 3.99Å; L220-L224 HydrophobicContact CD1-CD2 4.19Å; L220-L224 HydrophobicContact CD1-CG 3.77Å; L220-L224 HydrophobicContact CD2-CD1 4.48Å; L220-L224 HydrophobicContact CG-CD1 3.91Å; L220-L224 HydrophobicContact CG-CG 4.13Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.1Å; L220-R262 HydrophobicContact CD1-CB 3.83Å; L220-I263 HydrophobicContact CD1-CG1 4.16Å; L220-I263 HydrophobicContact CD2-CG1 4.38Å; L220-T266 HydrophobicContact CB-CG2 3.96Å; L220-T266 HydrophobicContact CD2-CG2 3.92Å; L220-T266 HydrophobicContact CG-CG2 4.49Å; L220-V378 HydrophobicContact CD2-CG1 3.8Å; L220-V378 HydrophobicContact CD2-CG2 3.92Å
221	A	72.1	Confident	74	Confident	33 Å²	33	46.8 Å²	46.8	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-57.2	-44	-179.3	0	0	0	0	0	111.9	F217 G218 L224 G225 M381	F217-A221 PolarHBondContact O-N 2.91Å; G218-A221 PolarHBondContact O-N 3.02Å; A221-L224 PolarHBondContact O-N 3.34Å; A221-G225 PolarHBondContact O-N 3.17Å; A221-M381 HydrophobicContact CB-SD 4.45Å
222	V	77.9	Confident	74.1	Confident	87 Å²	87	43.9 Å²	43.9	53%	0.527	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-45.6	173	172	0	0	0	0	111.4	G218 L220 L224 G225 F226	G218-V222 WeakPolarHBondContact O-CG2 3.5Å; G218-V222 PolarHBondContact O-N 2.9Å; L220-V222 VanDerWaalsContact C-N 3.3Å; L220-V222 PolarHBondContact O-N 3.01Å; V222-L224 PolarHBondContact O-N 3.47Å; V222-G225 PolarHBondContact O-N 3.04Å; V222-F226 HydrophobicContact CG1-CD2 3.71Å; V222-F226 HydrophobicContact CG1-CE2 3.58Å; V222-F226 VanDerWaalsContact O-CD2 3.28Å; V222-F226 WeakPolarHBondContact O-CD2 3.34Å; V222-F226 PolarHBondContact O-N 3.35Å
223	G	75.8	Confident	74	Confident	16 Å²	16	44.7 Å²	44.7	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-35.3	177.8	0	0	0	0	0	114.3	G219 L220 G227 R262	G219-G223 PolarHBondContact O-N 3.03Å; L220-G223 CarbonylContact O-C 3.56Å; L220-G223 WeakPolarHBondContact O-CA 3.41Å; L220-G223 PolarHBondContact O-N 3.25Å; G223-G227 PolarHBondContact O-N 3.26Å; G223-R262 PolarHBondContact O-NH1 3.3Å; G223-R262 VanDerWaalsContact O-NH1 3.11Å
224	L	75.1	Confident	74	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-68.4	-44.8	174.5	-72.3	177.8	0	0	0	111.3	L220 A221 V222 G227 A228 F254 N259 I263 V378	L220-L224 HydrophobicContact CD1-CD1 3.99Å; L220-L224 HydrophobicContact CD1-CD2 4.19Å; L220-L224 HydrophobicContact CD1-CG 3.77Å; L220-L224 HydrophobicContact CD2-CD1 4.48Å; L220-L224 HydrophobicContact CG-CD1 3.91Å; L220-L224 HydrophobicContact CG-CG 4.13Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.1Å; A221-L224 PolarHBondContact O-N 3.34Å; V222-L224 PolarHBondContact O-N 3.47Å; L224-G227 PolarHBondContact O-N 2.99Å; L224-G227 VanDerWaalsContact O-N 3.16Å; L224-A228 PolarHBondContact O-N 3.49Å; L224-F254 HydrophobicContact CB-CD1 4.31Å; L224-N259 HydrophobicContact CD2-CB 3.53Å; L224-N259 VanDerWaalsContact CD2-CG 3.46Å; L224-N259 PolarHBondContact O-ND2 2.93Å; L224-I263 HydrophobicContact CD1-CG1 4.37Å; L224-I263 HydrophobicContact CD2-CD1 4.15Å; L224-I263 HydrophobicContact CD2-CG1 4.07Å; L224-V378 HydrophobicContact CD1-CG1 4.46Å
225	G	70.6	Confident	73.6	Confident	23 Å²	23	49.2 Å²	49.2	24%	0.237	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-49	175.3	0	0	0	0	0	112.7	A221 V222 G227 A228 L229	A221-G225 PolarHBondContact O-N 3.17Å; V222-G225 PolarHBondContact O-N 3.04Å; G225-G227 VanDerWaalsContact C-N 3.3Å; G225-G227 PolarHBondContact O-N 3.28Å; G225-A228 PolarHBondContact O-N 3.02Å; G225-L229 WeakPolarHBondContact O-CG 3.21Å; G225-L229 PolarHBondContact O-N 3Å
226	F	75.9	Confident	73.4	Confident	139 Å²	139	50.8 Å²	50.8	61%	0.61	32%	0.316	S	S	*	.	H	α-helix	trans	-61	-37	173	-80.6	-63.1	0	0	0	112.7	V222 A230	V222-F226 HydrophobicContact CG1-CD2 3.71Å; V222-F226 HydrophobicContact CG1-CE2 3.58Å; V222-F226 VanDerWaalsContact O-CD2 3.28Å; V222-F226 WeakPolarHBondContact O-CD2 3.34Å; V222-F226 PolarHBondContact O-N 3.35Å; F226-A230 VanDerWaalsContact O-CB 3.29Å; F226-A230 WeakPolarHBondContact O-CB 3.37Å; F226-A230 PolarHBondContact O-N 2.9Å
227	G	69.8	Low	73	Confident	6 Å²	6	56.8 Å²	56.8	6%	0.062	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-43.2	175.3	0	0	0	0	0	113.8	G223 L224 G225 A230 E231 R262	G223-G227 PolarHBondContact O-N 3.26Å; L224-G227 PolarHBondContact O-N 2.99Å; L224-G227 VanDerWaalsContact O-N 3.16Å; G225-G227 VanDerWaalsContact C-N 3.3Å; G225-G227 PolarHBondContact O-N 3.28Å; G227-A230 PolarHBondContact O-N 3.14Å; G227-E231 PolarHBondContact O-N 3.46Å; G227-R262 VanDerWaalsContact CA-NH1 3.28Å
228	A	72.2	Confident	72.1	Confident	7 Å²	7	65.4 Å²	65.4	6%	0.058	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-44.8	177.3	0	0	0	0	0	111.6	L224 G225 A230 E231 V232 P253 F254	L224-A228 PolarHBondContact O-N 3.49Å; G225-A228 PolarHBondContact O-N 3.02Å; A228-A230 VanDerWaalsContact C-N 3.33Å; A228-A230 PolarHBondContact O-N 2.81Å; A228-E231 PolarHBondContact O-N 2.92Å; A228-V232 WeakPolarHBondContact O-CG2 3.01Å; A228-V232 PolarHBondContact O-N 2.82Å; A228-P253 WeakPolarHBondContact CA-O 3.46Å; A228-P253 HydrophobicContact CB-CB 4.12Å; A228-F254 HydrophobicContact CB-CD1 3.71Å; A228-F254 HydrophobicContact CB-CD2 4.37Å; A228-F254 HydrophobicContact CB-CE1 3.66Å; A228-F254 HydrophobicContact CB-CE2 4.32Å; A228-F254 HydrophobicContact CB-CG 4.08Å; A228-F254 HydrophobicContact CB-CZ 3.98Å
229	L	72.8	Confident	70.5	Confident	122 Å²	122	69.4 Å²	69.4	64%	0.639	40%	0.402	S	S	*	.	H	α-helix	trans	-60.9	-41.1	174.9	-70.1	171.7	0	0	0	112.1	G225 V232 A233	G225-L229 WeakPolarHBondContact O-CG 3.21Å; G225-L229 PolarHBondContact O-N 3Å; L229-V232 PolarHBondContact O-N 3.21Å; L229-A233 WeakPolarHBondContact O-CB 3.36Å; L229-A233 PolarHBondContact O-N 3.31Å
230	A	74.1	Confident	69	Low	58 Å²	58	76.2 Å²	76.2	48%	0.479	42%	0.421	S	S	.	.	H	α-helix	trans	-65.6	-39.9	176.7	0	0	0	0	0	112.5	F226 G227 A228 A233 K234	F226-A230 VanDerWaalsContact O-CB 3.29Å; F226-A230 WeakPolarHBondContact O-CB 3.37Å; F226-A230 PolarHBondContact O-N 2.9Å; G227-A230 PolarHBondContact O-N 3.14Å; A228-A230 VanDerWaalsContact C-N 3.33Å; A228-A230 PolarHBondContact O-N 2.81Å; A230-A233 PolarHBondContact O-N 2.86Å; A230-K234 WeakPolarHBondContact O-CB 3.46Å; A230-K234 PolarHBondContact O-N 2.81Å
231	E	69.8	Low	67	Low	46 Å²	46	82.2 Å²	82.2	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-72.8	-34.7	178.3	-162.5	60	-143.2	0	0	112	G227 A228 K234 K235	G227-E231 PolarHBondContact O-N 3.46Å; A228-E231 PolarHBondContact O-N 2.92Å; E231-K234 PolarHBondContact O-N 3.47Å; E231-K234 IonicContact OE1-NZ 3.68Å; E231-K234 PolarHBondContact OE1-NZ 2.55Å; E231-K234 IonicContact OE2-NZ 3.31Å; E231-K234 PolarHBondContact OE2-NZ 2.79Å; E231-K235 WeakPolarHBondContact O-CG 3.16Å; E231-K235 PolarHBondContact O-N 2.68Å
232	V	72.3	Confident	65.6	Low	76 Å²	76	87 Å²	87	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-48.4	169.5	170.1	0	0	0	0	110.9	A228 L229 K234 K235 S236 P253	A228-V232 WeakPolarHBondContact O-CG2 3.01Å; A228-V232 PolarHBondContact O-N 2.82Å; L229-V232 PolarHBondContact O-N 3.21Å; V232-K234 VanDerWaalsContact C-N 3.33Å; V232-K234 PolarHBondContact O-N 3.04Å; V232-K235 PolarHBondContact O-N 2.77Å; V232-K235 VanDerWaalsContact O-N 3.14Å; V232-S236 PolarHBondContact O-N 2.74Å; V232-S236 PolarHBondContact O-OG 3.32Å; V232-P253 HydrophobicContact CG2-CB 4.03Å; V232-P253 HydrophobicContact CG2-CG 4.18Å
233	A	74.1	Confident	63.6	Low	44 Å²	44	87 Å²	87	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-41.8	177.4	0	0	0	0	0	112.2	L229 A230 K235 S236 L237	L229-A233 WeakPolarHBondContact O-CB 3.36Å; L229-A233 PolarHBondContact O-N 3.31Å; A230-A233 PolarHBondContact O-N 2.86Å; A233-K235 VanDerWaalsContact C-N 3.33Å; A233-K235 PolarHBondContact O-N 3.26Å; A233-S236 WeakPolarHBondContact CA-OG 3.15Å; A233-S236 PolarHBondContact O-N 2.92Å; A233-S236 PolarHBondContact O-OG 3.34Å; A233-L237 WeakPolarHBondContact O-CB 3.4Å; A233-L237 WeakPolarHBondContact O-CG 3.38Å; A233-L237 PolarHBondContact O-N 3.24Å
234	K	74.4	Confident	62	Low	97 Å²	97	90.3 Å²	90.3	42%	0.422	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-32.3	175.1	173.2	170.6	161.8	-112	0	113.1	A230 E231 V232 R238	A230-K234 WeakPolarHBondContact O-CB 3.46Å; A230-K234 PolarHBondContact O-N 2.81Å; E231-K234 PolarHBondContact O-N 3.47Å; E231-K234 IonicContact OE1-NZ 3.68Å; E231-K234 PolarHBondContact OE1-NZ 2.55Å; E231-K234 IonicContact OE2-NZ 3.31Å; E231-K234 PolarHBondContact OE2-NZ 2.79Å; V232-K234 VanDerWaalsContact C-N 3.33Å; V232-K234 PolarHBondContact O-N 3.04Å; K234-R238 PolarHBondContact O-N 2.84Å
235	K	65.3	Low	59.9	Low	95 Å²	95	99.8 Å²	99.8	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-72	-44.6	170.1	-76.2	-178.1	175.8	-172.9	0	111.8	E231 V232 A233 L237 R238 D250	E231-K235 WeakPolarHBondContact O-CG 3.16Å; E231-K235 PolarHBondContact O-N 2.68Å; V232-K235 PolarHBondContact O-N 2.77Å; V232-K235 VanDerWaalsContact O-N 3.14Å; A233-K235 VanDerWaalsContact C-N 3.33Å; A233-K235 PolarHBondContact O-N 3.26Å; K235-L237 PolarHBondContact O-N 3.4Å; K235-R238 PolarHBondContact O-N 2.88Å; K235-D250 WeakPolarHBondContact CE-OD1 3.48Å; K235-D250 IonicContact NZ-OD1 2.63Å; K235-D250 PolarHBondContact NZ-OD1 2.55Å
236	S	71.2	Confident	58.3	Low	97 Å²	97	108.7 Å²	108.7	68%	0.678	59%	0.593	S	S	*	*	H	α-helix	trans	-65.7	-19.7	176.2	55.5	0	0	0	0	114.6	V232 A233	V232-S236 PolarHBondContact O-N 2.74Å; V232-S236 PolarHBondContact O-OG 3.32Å; A233-S236 WeakPolarHBondContact CA-OG 3.15Å; A233-S236 PolarHBondContact O-N 2.92Å; A233-S236 PolarHBondContact O-OG 3.34Å
237	L	68.9	Low	56.4	Low	148 Å²	148	104.8 Å²	104.8	78%	0.775	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-2.2	174.7	-69.2	170.4	0	0	0	113.6	A233 K235	A233-L237 WeakPolarHBondContact O-CB 3.4Å; A233-L237 WeakPolarHBondContact O-CG 3.38Å; A233-L237 PolarHBondContact O-N 3.24Å; K235-L237 PolarHBondContact O-N 3.4Å
238	R	55.8	Low	54.9	Low	190 Å²	190	111.2 Å²	111.2	72%	0.717	62%	0.624	S	S	*	*	S	Bend	trans	-105.6	105.4	172.4	-82.1	-177.5	162.7	-164.8	-7.6	109.5	K234 K235	K234-R238 PolarHBondContact O-N 2.84Å; K235-R238 PolarHBondContact O-N 2.88Å
239	S	38.5	Very low	53.4	Low	119 Å²	119	116.2 Å²	116.2	83%	0.832	65%	0.649	S	S	*	*			trans	-55.8	148.7	165.9	-171.7	0	0	0	0	110.4
240	E	44.8	Very low	52	Low	191 Å²	191	115.6 Å²	115.6	89%	0.893	65%	0.647	S	S	*	*			trans	-60.7	135.4	-179.7	-62.5	-178.3	111.1	0	0	111.9
241	D	36.2	Very low	50.9	Low	132 Å²	132	118.2 Å²	118.2	71%	0.706	66%	0.661	S	S	*	*			trans	-118.2	110.8	172.2	-176.7	2.2	0	0	0	108.5	S243	D241-S243 VanDerWaalsContact C-N 3.3Å; D241-S243 PolarHBondContact O-N 3.24Å
242	P	42.4	Very low	50.2	Low	132 Å²	132	117.2 Å²	117.2	86%	0.857	66%	0.66	S	S	*	*			trans	-82	64.2	-166	33.8	-37.3	0	0	0	113.3
243	S	36.3	Very low	49.5	Very low	89 Å²	89	116.3 Å²	116.3	62%	0.622	66%	0.655	S	S	*	*			trans	-120.5	105.8	171.6	61.2	0	0	0	0	112.7	D241 K245	D241-S243 VanDerWaalsContact C-N 3.3Å; D241-S243 PolarHBondContact O-N 3.24Å; S243-K245 PolarHBondContact O-N 3.03Å
244	G	41.5	Very low	48.7	Very low	84 Å²	84	117.3 Å²	117.3	87%	0.866	65%	0.651	S	S	*	*			trans	-74.9	82.8	-167.8	0	0	0	0	0	115.7
245	K	31.8	Very low	48	Very low	200 Å²	200	115 Å²	115	87%	0.87	64%	0.644	S	S	*	*			trans	-126.2	84.3	159	-74	-171.4	177.9	-179.4	0	111.1	S243 A247	S243-K245 PolarHBondContact O-N 3.03Å; K245-A247 VanDerWaalsContact C-N 3.31Å; K245-A247 PolarHBondContact O-N 2.83Å
246	K	36.6	Very low	48.1	Very low	211 Å²	211	111.6 Å²	111.6	92%	0.917	63%	0.631	S	S	*	*			trans	-67.4	85.6	170.9	-77.3	-175.2	174.8	-178.8	0	110.7
247	A	35	Very low	48	Very low	57 Å²	57	114.1 Å²	114.1	47%	0.471	63%	0.633	S	S	.	*			trans	-65.7	143.2	157.3	0	0	0	0	0	109	K245 L249	K245-A247 VanDerWaalsContact C-N 3.31Å; K245-A247 PolarHBondContact O-N 2.83Å; A247-L249 HydrophobicContact CB-CD1 3.79Å; A247-L249 HydrophobicContact CB-CG 4.05Å; A247-L249 PolarHBondContact O-N 2.71Å
248	V	38.3	Very low	48	Very low	140 Å²	140	109.7 Å²	109.7	85%	0.848	62%	0.617	S	S	*	*	S	Bend	trans	-82.4	47.4	-174.9	-165.1	0	0	0	0	110.9
249	L	42.2	Very low	48.6	Very low	113 Å²	113	100.6 Å²	100.6	59%	0.592	58%	0.583	S	S	*	*			trans	-104.8	-5.6	-171.3	-71.6	171	0	0	0	114	A247 H292	A247-L249 HydrophobicContact CB-CD1 3.79Å; A247-L249 HydrophobicContact CB-CG 4.05Å; A247-L249 PolarHBondContact O-N 2.71Å; L249-H292 VanDerWaalsContact CD2-CE1 3.43Å; L249-H292 WeakPolarHBondContact CD2-CE1 3.13Å; L249-H292 VanDerWaalsContact CD2-NE2 3.28Å; L249-H292 WeakPolarHBondContact CD2-NE2 3.46Å
250	D	43.4	Very low	50.1	Low	109 Å²	109	95.8 Å²	95.8	58%	0.583	55%	0.55	S	S	*	*			trans	-114.2	2.1	-155.2	-102.6	-38.7	0	0	0	116.4	K235 S252	K235-D250 WeakPolarHBondContact CE-OD1 3.48Å; K235-D250 IonicContact NZ-OD1 2.63Å; K235-D250 PolarHBondContact NZ-OD1 2.55Å; D250-S252 PolarHBondContact O-N 3.15Å
251	S	49.3	Very low	51.4	Low	112 Å²	112	91.1 Å²	91.1	78%	0.783	53%	0.528	S	S	*	.	S	Bend	trans	-81	-9.3	-167.6	51.4	0	0	0	0	116.6
252	S	56	Low	53.2	Low	26 Å²	26	89.4 Å²	89.4	18%	0.182	51%	0.512	C	S	.	.			trans	-144.4	121.8	175.6	175.9	0	0	0	0	112.3	D250 F254 L255	D250-S252 PolarHBondContact O-N 3.15Å; S252-F254 PolarHBondContact O-N 2.8Å; S252-F254 VanDerWaalsContact O-N 3.09Å; S252-F254 PolarHBondContact OG-N 2.9Å; S252-L255 PolarHBondContact O-N 2.91Å
253	P	57.2	Low	54.7	Low	56 Å²	56	83.4 Å²	83.4	36%	0.364	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-58.2	-21.4	175	-26.2	35.6	0	0	0	114.5	A228 V232 L255	A228-P253 WeakPolarHBondContact CA-O 3.46Å; A228-P253 HydrophobicContact CB-CB 4.12Å; V232-P253 HydrophobicContact CG2-CB 4.03Å; V232-P253 HydrophobicContact CG2-CG 4.18Å; P253-L255 VanDerWaalsContact C-N 3.31Å
254	F	57.7	Low	56.3	Low	66 Å²	66	79.4 Å²	79.4	29%	0.289	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-76.9	-14.9	178.3	-69.7	-83.3	0	0	0	113.5	L224 A228 S252 N259	L224-F254 HydrophobicContact CB-CD1 4.31Å; A228-F254 HydrophobicContact CB-CD1 3.71Å; A228-F254 HydrophobicContact CB-CD2 4.37Å; A228-F254 HydrophobicContact CB-CE1 3.66Å; A228-F254 HydrophobicContact CB-CE2 4.32Å; A228-F254 HydrophobicContact CB-CG 4.08Å; A228-F254 HydrophobicContact CB-CZ 3.98Å; S252-F254 PolarHBondContact O-N 2.8Å; S252-F254 VanDerWaalsContact O-N 3.09Å; S252-F254 PolarHBondContact OG-N 2.9Å; F254-N259 WeakPolarHBondContact O-CB 3.42Å; F254-N259 PolarHBondContact O-ND2 2.8Å
255	L	60.5	Low	57.8	Low	49 Å²	49	84 Å²	84	26%	0.257	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-102.3	26.5	-169.7	-57.8	-171.9	0	0	0	115	S252 P253 M384	S252-L255 PolarHBondContact O-N 2.91Å; P253-L255 VanDerWaalsContact C-N 3.31Å; L255-M384 HydrophobicContact CD1-CG 4.18Å; L255-M384 HydrophobicContact CD2-CE 3.8Å; L255-M384 HydrophobicContact CD2-CG 3.65Å; L255-M384 HydrophobicContact CD2-SD 3.62Å
256	S	67.4	Low	59.7	Low	22 Å²	22	75.2 Å²	75.2	15%	0.154	40%	0.399	C	S	.	.			trans	-63.4	153.2	169.9	65.2	0	0	0	0	111.9	A258 N259 A260	S256-A258 PolarHBondContact O-N 3.25Å; S256-N259 WeakPolarHBondContact O-CA 3.45Å; S256-N259 WeakPolarHBondContact O-CB 3.29Å; S256-N259 PolarHBondContact O-N 3.44Å; S256-A260 PolarHBondContact O-N 2.97Å
257	E	68.6	Low	61.4	Low	151 Å²	151	65.4 Å²	65.4	71%	0.706	36%	0.356	S	S	*	.	H	α-helix	trans	-57.6	-36.3	-179.7	-174.8	168	-141.9	0	0	112.5	N259 A260 E261	E257-N259 VanDerWaalsContact C-N 3.27Å; E257-N259 PolarHBondContact O-N 2.86Å; E257-A260 WeakPolarHBondContact O-CB 3.29Å; E257-A260 PolarHBondContact O-N 2.77Å; E257-E261 VanDerWaalsContact O-CG 3.25Å; E257-E261 WeakPolarHBondContact O-CG 3.49Å; E257-E261 PolarHBondContact O-N 3.23Å
258	A	68.4	Low	63	Low	54 Å²	54	62.9 Å²	62.9	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-66.3	-25.2	173.6	0	0	0	0	0	113.6	S256 R262	S256-A258 PolarHBondContact O-N 3.25Å; A258-R262 WeakPolarHBondContact O-CD 3.5Å; A258-R262 VanDerWaalsContact O-CG 3.25Å; A258-R262 WeakPolarHBondContact O-CG 3.47Å; A258-R262 PolarHBondContact O-N 2.92Å
259	N	69.2	Low	64.5	Low	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-82	-37.8	171.9	-85.3	-1.8	0	0	0	111.9	L224 F254 S256 E257 E261 R262 I263	L224-N259 HydrophobicContact CD2-CB 3.53Å; L224-N259 VanDerWaalsContact CD2-CG 3.46Å; L224-N259 PolarHBondContact O-ND2 2.93Å; F254-N259 WeakPolarHBondContact O-CB 3.42Å; F254-N259 PolarHBondContact O-ND2 2.8Å; S256-N259 WeakPolarHBondContact O-CA 3.45Å; S256-N259 WeakPolarHBondContact O-CB 3.29Å; S256-N259 PolarHBondContact O-N 3.44Å; E257-N259 VanDerWaalsContact C-N 3.27Å; E257-N259 PolarHBondContact O-N 2.86Å; N259-E261 VanDerWaalsContact C-N 3.32Å; N259-E261 PolarHBondContact O-N 2.77Å; N259-R262 WeakPolarHBondContact O-CB 3.27Å; N259-R262 PolarHBondContact O-N 3.36Å; N259-R262 VanDerWaalsContact O-N 3.11Å; N259-R262 PolarHBondContact OD1-NH1 3.04Å; N259-I263 WeakPolarHBondContact O-CG1 3.3Å; N259-I263 PolarHBondContact O-N 3.35Å
260	A	68.4	Low	65.6	Low	18 Å²	18	55.2 Å²	55.2	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-46.1	168.8	0	0	0	0	0	111.5	S256 E257 R262 I263 V264 I296	S256-A260 PolarHBondContact O-N 2.97Å; E257-A260 WeakPolarHBondContact O-CB 3.29Å; E257-A260 PolarHBondContact O-N 2.77Å; A260-R262 VanDerWaalsContact C-N 3.33Å; A260-R262 PolarHBondContact O-N 3.37Å; A260-I263 PolarHBondContact O-N 3Å; A260-V264 WeakPolarHBondContact O-CG2 3.24Å; A260-V264 PolarHBondContact O-N 2.85Å; A260-I296 HydrophobicContact CB-CD1 3.63Å; A260-I296 HydrophobicContact CB-CG1 3.94Å
261	E	72.9	Confident	67	Low	93 Å²	93	50.1 Å²	50.1	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-55.3	-43	172.5	-72.5	-100.1	110.9	0	0	112.8	E257 N259 R265 R299	E257-E261 VanDerWaalsContact O-CG 3.25Å; E257-E261 WeakPolarHBondContact O-CG 3.49Å; E257-E261 PolarHBondContact O-N 3.23Å; N259-E261 VanDerWaalsContact C-N 3.32Å; N259-E261 PolarHBondContact O-N 2.77Å; E261-R265 VanDerWaalsContact O-CB 3.23Å; E261-R265 WeakPolarHBondContact O-CB 3.37Å; E261-R265 PolarHBondContact O-N 3.26Å; E261-R299 IonicContact OE1-CZ 3.64Å; E261-R299 IonicContact OE1-NH1 3.66Å; E261-R299 PolarHBondContact OE1-NH1 3.36Å; E261-R299 IonicContact OE1-NH2 3.77Å; E261-R299 PolarHBondContact OE1-NH2 3.25Å
262	R	74.3	Confident	68.1	Low	96 Å²	96	44.9 Å²	44.9	36%	0.362	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-40.1	178.2	-72.6	163.6	-179.5	152.2	-0.4	111.8	L220 G223 G227 A258 N259 A260 T266	L220-R262 HydrophobicContact CD1-CB 3.83Å; G223-R262 PolarHBondContact O-NH1 3.3Å; G223-R262 VanDerWaalsContact O-NH1 3.11Å; G227-R262 VanDerWaalsContact CA-NH1 3.28Å; A258-R262 WeakPolarHBondContact O-CD 3.5Å; A258-R262 VanDerWaalsContact O-CG 3.25Å; A258-R262 WeakPolarHBondContact O-CG 3.47Å; A258-R262 PolarHBondContact O-N 2.92Å; N259-R262 WeakPolarHBondContact O-CB 3.27Å; N259-R262 PolarHBondContact O-N 3.36Å; N259-R262 VanDerWaalsContact O-N 3.11Å; N259-R262 PolarHBondContact OD1-NH1 3.04Å; A260-R262 VanDerWaalsContact C-N 3.33Å; A260-R262 PolarHBondContact O-N 3.37Å; R262-T266 WeakPolarHBondContact O-CB 3.26Å; R262-T266 PolarHBondContact O-N 2.77Å; R262-T266 VanDerWaalsContact O-N 3.09Å; R262-T266 PolarHBondContact O-OG1 3.34Å
263	I	72.9	Confident	68.8	Low	5 Å²	5	44 Å²	44	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-58.6	173.9	-67.8	163.8	0	0	0	109.1	L220 L224 N259 A260 R265 T266 L267 I296 M384	L220-I263 HydrophobicContact CD1-CG1 4.16Å; L220-I263 HydrophobicContact CD2-CG1 4.38Å; L224-I263 HydrophobicContact CD1-CG1 4.37Å; L224-I263 HydrophobicContact CD2-CD1 4.15Å; L224-I263 HydrophobicContact CD2-CG1 4.07Å; N259-I263 WeakPolarHBondContact O-CG1 3.3Å; N259-I263 PolarHBondContact O-N 3.35Å; A260-I263 PolarHBondContact O-N 3Å; I263-R265 VanDerWaalsContact C-N 3.32Å; I263-R265 PolarHBondContact O-N 3.37Å; I263-T266 PolarHBondContact O-N 2.82Å; I263-L267 HydrophobicContact CG2-CD1 3.63Å; I263-L267 HydrophobicContact CG2-CG 4.06Å; I263-L267 WeakPolarHBondContact O-CG 3.22Å; I263-L267 PolarHBondContact O-N 2.88Å; I263-I296 HydrophobicContact CG2-CG2 4Å; I263-M384 HydrophobicContact CD1-SD 4.3Å
264	V	70.7	Confident	69.3	Low	6 Å²	6	41.4 Å²	41.4	4%	0.036	20%	0.2	C	C	.	.	H	α-helix	trans	-48.2	-53.1	176.7	172.4	0	0	0	0	111	A260 T266 L267 C268 I296 R299 V300	A260-V264 WeakPolarHBondContact O-CG2 3.24Å; A260-V264 PolarHBondContact O-N 2.85Å; V264-T266 PolarHBondContact O-N 2.59Å; V264-L267 PolarHBondContact O-N 3.18Å; V264-C268 WeakPolarHBondContact O-CB 3.34Å; V264-C268 PolarHBondContact O-N 2.71Å; V264-C268 PolarHBondContact O-SG 2.73Å; V264-I296 HydrophobicContact CG2-CB 4.03Å; V264-I296 HydrophobicContact CG2-CG1 3.9Å; V264-I296 HydrophobicContact CG2-CG2 3.8Å; V264-R299 HydrophobicContact CG1-CB 4.18Å; V264-R299 HydrophobicContact CG2-CB 4.24Å; V264-V300 HydrophobicContact CB-CG2 4.29Å; V264-V300 HydrophobicContact CG1-CG2 4.04Å; V264-V300 HydrophobicContact CG2-CG2 4.33Å
265	R	72.5	Confident	69.8	Low	179 Å²	179	39 Å²	39	68%	0.675	19%	0.19	S	C	*	.	H	α-helix	trans	-60.4	-30.4	-178.2	-176.9	175.9	178.8	-179.2	-0.6	113.5	E261 I263 K269	E261-R265 VanDerWaalsContact O-CB 3.23Å; E261-R265 WeakPolarHBondContact O-CB 3.37Å; E261-R265 PolarHBondContact O-N 3.26Å; I263-R265 VanDerWaalsContact C-N 3.32Å; I263-R265 PolarHBondContact O-N 3.37Å; R265-K269 PolarHBondContact O-N 2.77Å
266	T	73.3	Confident	70.4	Confident	17 Å²	17	36.8 Å²	36.8	10%	0.104	18%	0.178	C	C	.	.	H	α-helix	trans	-81.4	-43.6	177.6	-54.8	0	0	0	0	111.1	N216 L220 R262 I263 V264 K269 V270	N216-T266 HydrophobicContact CB-CG2 4.39Å; L220-T266 HydrophobicContact CB-CG2 3.96Å; L220-T266 HydrophobicContact CD2-CG2 3.92Å; L220-T266 HydrophobicContact CG-CG2 4.49Å; R262-T266 WeakPolarHBondContact O-CB 3.26Å; R262-T266 PolarHBondContact O-N 2.77Å; R262-T266 VanDerWaalsContact O-N 3.09Å; R262-T266 PolarHBondContact O-OG1 3.34Å; I263-T266 PolarHBondContact O-N 2.82Å; V264-T266 PolarHBondContact O-N 2.59Å; T266-K269 WeakPolarHBondContact O-CA 3.5Å; T266-K269 WeakPolarHBondContact O-CB 3.3Å; T266-K269 PolarHBondContact O-N 2.64Å; T266-V270 PolarHBondContact O-N 3.42Å
267	L	71.3	Confident	70.4	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-47.3	175.7	-65.3	-177.3	0	0	0	111.3	I263 V264 K269 V270 R271 A274 I296 F297 V300 L375	I263-L267 HydrophobicContact CG2-CD1 3.63Å; I263-L267 HydrophobicContact CG2-CG 4.06Å; I263-L267 WeakPolarHBondContact O-CG 3.22Å; I263-L267 PolarHBondContact O-N 2.88Å; V264-L267 PolarHBondContact O-N 3.18Å; L267-K269 PolarHBondContact O-N 2.99Å; L267-V270 PolarHBondContact O-N 3.36Å; L267-R271 PolarHBondContact O-N 3.25Å; L267-A274 HydrophobicContact CB-CB 3.88Å; L267-A274 HydrophobicContact CD2-CB 3.65Å; L267-A274 HydrophobicContact CG-CB 4.28Å; L267-I296 HydrophobicContact CD1-CG2 4.23Å; L267-F297 HydrophobicContact CD1-CD1 4.44Å; L267-F297 HydrophobicContact CD1-CE1 4.03Å; L267-V300 HydrophobicContact CB-CG1 4.12Å; L267-V300 HydrophobicContact CB-CG2 3.68Å; L267-V300 HydrophobicContact CD1-CG2 4.02Å; L267-V300 HydrophobicContact CG-CG2 4.49Å; L267-L375 HydrophobicContact CD2-CD1 3.5Å
268	C	69	Low	70.2	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.034	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-23.1	171.6	-67.7	0	0	0	0	114	V264 R271 S303	V264-C268 WeakPolarHBondContact O-CB 3.34Å; V264-C268 PolarHBondContact O-N 2.71Å; V264-C268 PolarHBondContact O-SG 2.73Å; C268-R271 WeakPolarHBondContact O-CG 3.47Å; C268-S303 PolarHBondContact SG-O 2.83Å
269	K	68.8	Low	70	Confident	89 Å²	89	27.1 Å²	27.1	39%	0.387	12%	0.123	S	C	.	.	H	α-helix	trans	-84.8	-39.3	179.4	-167.7	-178.9	-176.8	-170.6	0	112.4	P207 N216 R265 T266 L267	P207-K269 WeakPolarHBondContact CD-O 3.24Å; N216-K269 HydrophobicContact CB-CD 4.46Å; N216-K269 WeakPolarHBondContact OD1-CD 3.38Å; N216-K269 WeakPolarHBondContact OD1-CE 3.4Å; N216-K269 PolarHBondContact OD1-NZ 3.31Å; R265-K269 PolarHBondContact O-N 2.77Å; T266-K269 WeakPolarHBondContact O-CA 3.5Å; T266-K269 WeakPolarHBondContact O-CB 3.3Å; T266-K269 PolarHBondContact O-N 2.64Å; L267-K269 PolarHBondContact O-N 2.99Å
270	V	66.1	Low	69.6	Low	3 Å²	3	28.2 Å²	28.2	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-82.5	-34.2	-178.1	-59.5	0	0	0	0	112.9	R213 N216 F217 T266 L267 A274	R213-V270 PolarHBondContact NH1-O 2.86Å; R213-V270 VanDerWaalsContact NH1-O 3.17Å; N216-V270 HydrophobicContact CB-CG1 4.21Å; F217-V270 HydrophobicContact CD2-CG1 4.3Å; F217-V270 HydrophobicContact CE1-CG2 4.5Å; F217-V270 HydrophobicContact CE2-CB 4.3Å; F217-V270 HydrophobicContact CE2-CG1 3.74Å; F217-V270 HydrophobicContact CE2-CG2 4.45Å; F217-V270 HydrophobicContact CZ-CB 4.22Å; F217-V270 HydrophobicContact CZ-CG1 3.95Å; F217-V270 HydrophobicContact CZ-CG2 3.88Å; T266-V270 PolarHBondContact O-N 3.42Å; L267-V270 PolarHBondContact O-N 3.36Å; V270-A274 HydrophobicContact CG2-CB 3.94Å
271	R	72.4	Confident	69.1	Low	1 Å²	1	27.8 Å²	27.8	0%	0.004	12%	0.124	C	C	.	.			trans	55.1	-172.3	177.9	-71.7	171	-77.2	-167.6	-10.1	113.2	R204 L267 C268 A273 L275 D305 Y361	R204-R271 PolarHBondContact O-NH2 3.43Å; L267-R271 PolarHBondContact O-N 3.25Å; C268-R271 WeakPolarHBondContact O-CG 3.47Å; R271-A273 PolarHBondContact O-N 2.63Å; R271-L275 HydrophobicContact CB-CD1 4.21Å; R271-L275 HydrophobicContact CG-CD1 4.07Å; R271-D305 PolarHBondContact NH1-O 3.01Å; R271-Y361 HydrophobicContact CB-CD2 4.12Å; R271-Y361 HydrophobicContact CB-CE2 4.01Å; R271-Y361 HydrophobicContact CG-CE2 4.3Å
272	G	72.4	Confident	67.9	Low	2 Å²	2	25.6 Å²	25.6	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-104.7	-179.5	0	0	0	0	0	112.3	A274 L275 K276 S340	G272-A274 PolarHBondContact O-N 2.68Å; G272-L275 CarbonylContact O-C 3.54Å; G272-L275 WeakPolarHBondContact O-CA 3.19Å; G272-L275 WeakPolarHBondContact O-CB 3.46Å; G272-L275 PolarHBondContact O-N 2.81Å; G272-K276 PolarHBondContact O-N 3.08Å; G272-S340 PolarHBondContact N-O 3.49Å
273	A	70.1	Confident	66.6	Low	7 Å²	7	22.8 Å²	22.8	6%	0.058	11%	0.11	C	C	.	.	H	α-helix	trans	-47.1	-39.5	-179.7	0	0	0	0	0	114.5	R271 L277 D371 V372 L375 L402	R271-A273 PolarHBondContact O-N 2.63Å; A273-L277 VanDerWaalsContact O-CB 3.27Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 PolarHBondContact O-N 3.4Å; A273-D371 HydrophobicContact CB-CB 3.97Å; A273-V372 HydrophobicContact CB-CG2 4.21Å; A273-L375 HydrophobicContact CB-CD2 4.49Å; A273-L402 HydrophobicContact CB-CD1 3.61Å
274	A	67.8	Low	65.4	Low	2 Å²	2	25.8 Å²	25.8	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-34.2	176.6	0	0	0	0	0	114	L267 V270 G272 G278	L267-A274 HydrophobicContact CB-CB 3.88Å; L267-A274 HydrophobicContact CD2-CB 3.65Å; L267-A274 HydrophobicContact CG-CB 4.28Å; V270-A274 HydrophobicContact CG2-CB 3.94Å; G272-A274 PolarHBondContact O-N 2.68Å; A274-G278 PolarHBondContact O-N 3Å; A274-G278 VanDerWaalsContact O-N 3.17Å
275	L	68.3	Low	64.1	Low	16 Å²	16	29 Å²	29	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-79	-42.9	177.2	-84.1	160.3	0	0	0	111.2	R271 G272 G278 Q279 V300 S340	R271-L275 HydrophobicContact CB-CD1 4.21Å; R271-L275 HydrophobicContact CG-CD1 4.07Å; G272-L275 CarbonylContact O-C 3.54Å; G272-L275 WeakPolarHBondContact O-CA 3.19Å; G272-L275 WeakPolarHBondContact O-CB 3.46Å; G272-L275 PolarHBondContact O-N 2.81Å; L275-G278 CarbonylContact O-C 3.56Å; L275-G278 WeakPolarHBondContact O-CA 3.45Å; L275-G278 PolarHBondContact O-N 3.39Å; L275-G278 VanDerWaalsContact O-N 3.13Å; L275-Q279 PolarHBondContact O-N 2.81Å; L275-V300 HydrophobicContact CD2-CG1 3.85Å; L275-V300 HydrophobicContact CG-CG1 4.12Å; L275-S340 WeakPolarHBondContact CD1-O 3.35Å
276	K	73.1	Confident	62.7	Low	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-68.7	-40.5	177.8	-170.6	55	167.3	-160.1	0	112.8	G272 G278 Q279 M280 L402 E405 D488	G272-K276 PolarHBondContact O-N 3.08Å; K276-G278 VanDerWaalsContact C-N 3.25Å; K276-G278 PolarHBondContact O-N 2.94Å; K276-Q279 HydrophobicContact CD-CB 4.47Å; K276-Q279 PolarHBondContact O-N 3Å; K276-M280 HydrophobicContact CG-SD 4.21Å; K276-M280 WeakPolarHBondContact O-CB 3.48Å; K276-M280 VanDerWaalsContact O-CG 3.3Å; K276-M280 WeakPolarHBondContact O-CG 3.42Å; K276-M280 PolarHBondContact O-N 2.67Å; K276-L402 HydrophobicContact CB-CD2 3.67Å; K276-L402 HydrophobicContact CB-CG 4.34Å; K276-L402 HydrophobicContact CG-CD2 4.12Å; K276-L402 HydrophobicContact CG-CG 4.43Å; K276-E405 VanDerWaalsContact CD-OE1 3.25Å; K276-E405 WeakPolarHBondContact CD-OE1 3.45Å; K276-E405 WeakPolarHBondContact CE-OE1 3.36Å; K276-E405 IonicContact NZ-OE1 3.71Å; K276-E405 PolarHBondContact NZ-OE1 3.3Å; K276-D488 IonicContact NZ-OD1 2.89Å; K276-D488 PolarHBondContact NZ-OD1 2.83Å
277	L	68.8	Low	61.1	Low	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-39	169.1	-175.5	63.1	0	0	0	110.6	A273 Q279 M280 L281 F297 L375 L379 L398	A273-L277 VanDerWaalsContact O-CB 3.27Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 PolarHBondContact O-N 3.4Å; L277-Q279 PolarHBondContact O-N 3.23Å; L277-M280 PolarHBondContact O-N 3.45Å; L277-L281 HydrophobicContact CD1-CD1 3.76Å; L277-L281 HydrophobicContact CD1-CD2 4.28Å; L277-L281 HydrophobicContact CD1-CG 3.77Å; L277-L281 HydrophobicContact CD2-CD1 4.25Å; L277-L281 HydrophobicContact CG-CD1 3.76Å; L277-L281 HydrophobicContact CG-CG 4.1Å; L277-L281 WeakPolarHBondContact O-CB 3.43Å; L277-L281 WeakPolarHBondContact O-CG 3.47Å; L277-L281 PolarHBondContact O-N 2.72Å; L277-F297 HydrophobicContact CD2-CZ 4.4Å; L277-F297 HydrophobicContact CG-CZ 4.4Å; L277-L375 HydrophobicContact CB-CD2 4.05Å; L277-L375 HydrophobicContact CD2-CD1 4.45Å; L277-L375 HydrophobicContact CD2-CD2 3.58Å; L277-L375 HydrophobicContact CD2-CG 3.89Å; L277-L375 HydrophobicContact CG-CD2 4.47Å; L277-L379 HydrophobicContact CD2-CD1 3.5Å; L277-L379 VanDerWaalsContact CD2-CD1 3.5Å; L277-L398 HydrophobicContact CB-CD1 4.28Å; L277-L398 HydrophobicContact CB-CD2 4.29Å; L277-L398 HydrophobicContact CD1-CD2 4.18Å
278	G	63.4	Low	59.8	Low	6 Å²	6	29.2 Å²	29.2	6%	0.062	17%	0.165	C	C	.	.	H	α-helix	trans	-56.7	-44.5	171.8	0	0	0	0	0	113.1	A274 L275 K276 S282	A274-G278 PolarHBondContact O-N 3Å; A274-G278 VanDerWaalsContact O-N 3.17Å; L275-G278 CarbonylContact O-C 3.56Å; L275-G278 WeakPolarHBondContact O-CA 3.45Å; L275-G278 PolarHBondContact O-N 3.39Å; L275-G278 VanDerWaalsContact O-N 3.13Å; K276-G278 VanDerWaalsContact C-N 3.25Å; K276-G278 PolarHBondContact O-N 2.94Å; G278-S282 WeakPolarHBondContact O-CA 3.4Å; G278-S282 WeakPolarHBondContact O-CB 3.29Å; G278-S282 PolarHBondContact O-N 2.92Å
279	Q	64.7	Low	58.9	Low	17 Å²	17	29.3 Å²	29.3	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-49.4	173.3	-70.4	163.4	-58.9	0	0	111.3	L275 K276 L277 L281 S282 I283 N490	L275-Q279 PolarHBondContact O-N 2.81Å; K276-Q279 HydrophobicContact CD-CB 4.47Å; K276-Q279 PolarHBondContact O-N 3Å; L277-Q279 PolarHBondContact O-N 3.23Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 2.79Å; Q279-S282 PolarHBondContact O-N 3.01Å; Q279-I283 WeakPolarHBondContact O-CB 3.34Å; Q279-I283 VanDerWaalsContact O-CD1 3.26Å; Q279-I283 WeakPolarHBondContact O-CD1 3.09Å; Q279-I283 WeakPolarHBondContact O-CG1 3.26Å; Q279-I283 PolarHBondContact O-N 3.34Å; Q279-N490 PolarHBondContact NE2-ND2 3.45Å; Q279-N490 VanDerWaalsContact NE2-ND2 3.16Å
280	M	61.4	Low	58.3	Low	23 Å²	23	28 Å²	28	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-33.2	-178.4	-71.6	172.4	67.3	0	0	113.5	K276 L277 L398	K276-M280 HydrophobicContact CG-SD 4.21Å; K276-M280 WeakPolarHBondContact O-CB 3.48Å; K276-M280 VanDerWaalsContact O-CG 3.3Å; K276-M280 WeakPolarHBondContact O-CG 3.42Å; K276-M280 PolarHBondContact O-N 2.67Å; L277-M280 PolarHBondContact O-N 3.45Å; M280-L398 HydrophobicContact CE-CD1 4.49Å; M280-L398 HydrophobicContact SD-CD1 3.62Å
281	L	56	Low	58	Low	9 Å²	9	31.6 Å²	31.6	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-93.1	-38.4	178.7	-60.7	-177.5	0	0	0	113.1	L277 Q279 I283 Q284 I289 F297	L277-L281 HydrophobicContact CD1-CD1 3.76Å; L277-L281 HydrophobicContact CD1-CD2 4.28Å; L277-L281 HydrophobicContact CD1-CG 3.77Å; L277-L281 HydrophobicContact CD2-CD1 4.25Å; L277-L281 HydrophobicContact CG-CD1 3.76Å; L277-L281 HydrophobicContact CG-CG 4.1Å; L277-L281 WeakPolarHBondContact O-CB 3.43Å; L277-L281 WeakPolarHBondContact O-CG 3.47Å; L277-L281 PolarHBondContact O-N 2.72Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 2.79Å; L281-I283 PolarHBondContact O-N 2.88Å; L281-Q284 WeakPolarHBondContact O-CB 3.49Å; L281-Q284 PolarHBondContact O-N 3.29Å; L281-I289 HydrophobicContact CB-CD1 3.93Å; L281-I289 HydrophobicContact CB-CG1 4.18Å; L281-I289 HydrophobicContact CD1-CD1 4.32Å; L281-I289 HydrophobicContact CD2-CD1 4.17Å; L281-I289 HydrophobicContact CG-CD1 4.35Å; L281-F297 HydrophobicContact CB-CE2 4.39Å; L281-F297 HydrophobicContact CD1-CE2 3.71Å; L281-F297 HydrophobicContact CD1-CZ 4.11Å
282	S	48.8	Very low	57.6	Low	47 Å²	47	35.9 Å²	35.9	33%	0.329	21%	0.206	S	C	.	.	H	α-helix	trans	-74.9	-6.9	-179.6	-173	0	0	0	0	114.1	G278 Q279 Q284	G278-S282 WeakPolarHBondContact O-CA 3.4Å; G278-S282 WeakPolarHBondContact O-CB 3.29Å; G278-S282 PolarHBondContact O-N 2.92Å; Q279-S282 PolarHBondContact O-N 3.01Å; S282-Q284 VanDerWaalsContact C-N 3.33Å
283	I	47.8	Very low	57.3	Low	37 Å²	37	35.9 Å²	35.9	19%	0.19	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-14	168.3	-72.4	167.7	0	0	0	110.9	Q279 L281 P489 L618	Q279-I283 WeakPolarHBondContact O-CB 3.34Å; Q279-I283 VanDerWaalsContact O-CD1 3.26Å; Q279-I283 WeakPolarHBondContact O-CD1 3.09Å; Q279-I283 WeakPolarHBondContact O-CG1 3.26Å; Q279-I283 PolarHBondContact O-N 3.34Å; L281-I283 PolarHBondContact O-N 2.88Å; I283-P489 HydrophobicContact CD1-CB 3.98Å; I283-P489 HydrophobicContact CD1-CG 4.04Å; I283-P489 HydrophobicContact CG2-CB 3.88Å; I283-P489 HydrophobicContact CG2-CG 4.02Å; I283-L618 WeakPolarHBondContact O-CD1 3.45Å
284	Q	47.1	Very low	56.9	Low	68 Å²	68	36.3 Å²	36.3	32%	0.318	21%	0.209	S	C	.	.	S	Bend	trans	-89.5	118.4	171	-52.6	177.4	-70.7	0	0	107.2	L281 S282 F288	L281-Q284 WeakPolarHBondContact O-CB 3.49Å; L281-Q284 PolarHBondContact O-N 3.29Å; S282-Q284 VanDerWaalsContact C-N 3.33Å; Q284-F288 HydrophobicContact CB-CB 4.09Å; Q284-F288 HydrophobicContact CB-CD1 3.89Å; Q284-F288 HydrophobicContact CB-CG 4.33Å; Q284-F288 VanDerWaalsContact CD-CD1 3.47Å; Q284-F288 HydrophobicContact CG-CD1 4.29Å
285	D	42.5	Very low	57	Low	74 Å²	74	42.3 Å²	42.3	40%	0.396	24%	0.235	S	C	.	.			trans	-58.4	166.2	-172.7	-142.3	-30.1	0	0	0	113.3	A287 F288 H588 L618	D285-A287 PolarHBondContact O-N 2.67Å; D285-F288 PolarHBondContact O-N 3.45Å; D285-H588 VanDerWaalsContact CB-NE2 3.3Å; D285-H588 WeakPolarHBondContact CB-NE2 3.36Å; D285-L618 HydrophobicContact CB-CD2 4.4Å
286	D	42.8	Very low	57	Low	103 Å²	103	41.8 Å²	41.8	55%	0.551	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-12.7	-168.2	-87.1	-22.7	0	0	0	115.8
287	A	39.9	Very low	56.8	Low	79 Å²	79	41.8 Å²	41.8	65%	0.653	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25	174.5	0	0	0	0	0	114.5	D285 H588	D285-A287 PolarHBondContact O-N 2.67Å; A287-H588 HydrophobicContact CB-CB 3.91Å
288	F	44.5	Very low	56.7	Low	22 Å²	22	45.9 Å²	45.9	10%	0.096	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-36.3	-177.5	-175.3	-109.6	0	0	0	113.5	Q284 D285 P386 L389 I591 L595	Q284-F288 HydrophobicContact CB-CB 4.09Å; Q284-F288 HydrophobicContact CB-CD1 3.89Å; Q284-F288 HydrophobicContact CB-CG 4.33Å; Q284-F288 VanDerWaalsContact CD-CD1 3.47Å; Q284-F288 HydrophobicContact CG-CD1 4.29Å; D285-F288 PolarHBondContact O-N 3.45Å; F288-P386 HydrophobicContact CE1-CG 4.45Å; F288-P386 HydrophobicContact CE2-CB 4.36Å; F288-P386 HydrophobicContact CE2-CG 4.08Å; F288-P386 HydrophobicContact CZ-CB 4.47Å; F288-P386 HydrophobicContact CZ-CG 4Å; F288-L389 HydrophobicContact CZ-CD1 4.2Å; F288-L389 HydrophobicContact CZ-CD2 4.2Å; F288-L389 HydrophobicContact CZ-CG 4.34Å; F288-I591 HydrophobicContact CD2-CG2 3.95Å; F288-I591 HydrophobicContact CE2-CG2 4.03Å; F288-L595 HydrophobicContact CE2-CD1 3.56Å; F288-L595 HydrophobicContact CZ-CD1 4Å
289	I	49.7	Very low	56.9	Low	7 Å²	7	49.3 Å²	49.3	4%	0.036	26%	0.262	C	S	.	.	S	Bend	trans	-106.4	130.7	-178.1	-62.4	-57.6	0	0	0	108.5	L281 L293 A294	L281-I289 HydrophobicContact CB-CD1 3.93Å; L281-I289 HydrophobicContact CB-CG1 4.18Å; L281-I289 HydrophobicContact CD1-CD1 4.32Å; L281-I289 HydrophobicContact CD2-CD1 4.17Å; L281-I289 HydrophobicContact CG-CD1 4.35Å; I289-L293 HydrophobicContact CG2-CB 3.66Å; I289-L293 HydrophobicContact CG2-CD2 3.94Å; I289-L293 HydrophobicContact CG2-CG 3.77Å; I289-A294 HydrophobicContact CG2-CB 4.04Å
290	N	56.3	Low	57.1	Low	63 Å²	63	48.6 Å²	48.6	34%	0.337	26%	0.259	S	S	.	.			trans	-47.5	126.8	172.4	176.8	-46.1	0	0	0	109.5	H292 L293 A294	N290-H292 CarbonylContact O-C 3.59Å; N290-H292 PolarHBondContact O-N 2.87Å; N290-H292 WeakPolarHBondContact OD1-CB 3.38Å; N290-H292 PolarHBondContact OD1-CD2 3.3Å; N290-H292 PolarHBondContact OD1-N 2.87Å; N290-L293 HydrophobicContact CB-CB 4.28Å; N290-L293 CarbonylContact O-C 3.59Å; N290-L293 VanDerWaalsContact O-CA 3.32Å; N290-L293 WeakPolarHBondContact O-CA 3.31Å; N290-L293 WeakPolarHBondContact O-CB 3.47Å; N290-L293 PolarHBondContact O-N 2.59Å; N290-A294 PolarHBondContact O-N 3.22Å
291	P	59.4	Low	57.2	Low	77 Å²	77	51.8 Å²	51.8	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-55.6	-25.1	-174.3	-31.8	37.2	0	0	0	114.9	K295	P291-K295 VanDerWaalsContact O-CB 3.28Å; P291-K295 WeakPolarHBondContact O-CB 3.35Å; P291-K295 PolarHBondContact O-N 3.19Å
292	H	65.4	Low	57.5	Low	92 Å²	92	56.2 Å²	56.2	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-69.9	-38.5	170.7	-58.5	-69.6	0	0	0	112.5	L249 N290 I296	L249-H292 VanDerWaalsContact CD2-CE1 3.43Å; L249-H292 WeakPolarHBondContact CD2-CE1 3.13Å; L249-H292 VanDerWaalsContact CD2-NE2 3.28Å; L249-H292 WeakPolarHBondContact CD2-NE2 3.46Å; N290-H292 CarbonylContact O-C 3.59Å; N290-H292 PolarHBondContact O-N 2.87Å; N290-H292 WeakPolarHBondContact OD1-CB 3.38Å; N290-H292 PolarHBondContact OD1-CD2 3.3Å; N290-H292 PolarHBondContact OD1-N 2.87Å; H292-I296 WeakPolarHBondContact O-CB 3.36Å; H292-I296 WeakPolarHBondContact O-CD1 3.28Å; H292-I296 WeakPolarHBondContact O-CG1 3.49Å; H292-I296 PolarHBondContact O-N 3.15Å
293	L	65.1	Low	58.1	Low	2 Å²	2	55.2 Å²	55.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-71.1	-37.7	173.8	-174.4	59.7	0	0	0	112	I289 N290 I296 F297 L379 M384	I289-L293 HydrophobicContact CG2-CB 3.66Å; I289-L293 HydrophobicContact CG2-CD2 3.94Å; I289-L293 HydrophobicContact CG2-CG 3.77Å; N290-L293 HydrophobicContact CB-CB 4.28Å; N290-L293 CarbonylContact O-C 3.59Å; N290-L293 VanDerWaalsContact O-CA 3.32Å; N290-L293 WeakPolarHBondContact O-CA 3.31Å; N290-L293 WeakPolarHBondContact O-CB 3.47Å; N290-L293 PolarHBondContact O-N 2.59Å; L293-I296 HydrophobicContact CD1-CB 4.46Å; L293-I296 HydrophobicContact CD1-CG2 4.28Å; L293-I296 WeakPolarHBondContact O-CB 3.37Å; L293-I296 PolarHBondContact O-N 2.71Å; L293-F297 HydrophobicContact CD1-CD2 3.79Å; L293-F297 HydrophobicContact CD1-CE2 3.43Å; L293-F297 VanDerWaalsContact CD1-CE2 3.43Å; L293-F297 HydrophobicContact CD1-CZ 4.11Å; L293-F297 HydrophobicContact CD2-CE2 3.97Å; L293-F297 HydrophobicContact CG-CD2 3.78Å; L293-F297 HydrophobicContact CG-CE2 3.6Å; L293-F297 WeakPolarHBondContact O-CD2 3.12Å; L293-F297 PolarHBondContact O-N 2.77Å; L293-L379 HydrophobicContact CD1-CD2 4.47Å; L293-M384 HydrophobicContact CB-CE 3.87Å; L293-M384 HydrophobicContact CD1-CE 3.92Å; L293-M384 HydrophobicContact CD1-SD 4.24Å; L293-M384 HydrophobicContact CD2-CB 4.1Å; L293-M384 HydrophobicContact CG-CE 4.39Å
294	A	62.6	Low	58.8	Low	15 Å²	15	53.6 Å²	53.6	12%	0.124	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-52.7	172.9	0	0	0	0	0	110.1	I289 N290 I296 F297 E298	I289-A294 HydrophobicContact CG2-CB 4.04Å; N290-A294 PolarHBondContact O-N 3.22Å; A294-I296 VanDerWaalsContact C-N 3.28Å; A294-I296 PolarHBondContact O-N 3.21Å; A294-F297 PolarHBondContact O-N 3.17Å; A294-F297 VanDerWaalsContact O-N 3.09Å; A294-E298 WeakPolarHBondContact O-CB 3.18Å; A294-E298 PolarHBondContact O-N 3.18Å
295	K	68.6	Low	60	Low	129 Å²	129	50.6 Å²	50.6	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-60.7	-30.9	174.4	-168.6	175.4	-175.3	-179.6	0	113.6	P291 R299	P291-K295 VanDerWaalsContact O-CB 3.28Å; P291-K295 WeakPolarHBondContact O-CB 3.35Å; P291-K295 PolarHBondContact O-N 3.19Å; K295-R299 VanDerWaalsContact O-CB 3.25Å; K295-R299 WeakPolarHBondContact O-CB 3.25Å; K295-R299 WeakPolarHBondContact O-CG 3.42Å; K295-R299 PolarHBondContact O-N 3.11Å
296	I	69.8	Low	61.7	Low	4 Å²	4	48.9 Å²	48.9	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-50.2	171.3	-78.8	162.5	0	0	0	110.4	A260 I263 V264 L267 H292 L293 A294 R299 V300 M384	A260-I296 HydrophobicContact CB-CD1 3.63Å; A260-I296 HydrophobicContact CB-CG1 3.94Å; I263-I296 HydrophobicContact CG2-CG2 4Å; V264-I296 HydrophobicContact CG2-CB 4.03Å; V264-I296 HydrophobicContact CG2-CG1 3.9Å; V264-I296 HydrophobicContact CG2-CG2 3.8Å; L267-I296 HydrophobicContact CD1-CG2 4.23Å; H292-I296 WeakPolarHBondContact O-CB 3.36Å; H292-I296 WeakPolarHBondContact O-CD1 3.28Å; H292-I296 WeakPolarHBondContact O-CG1 3.49Å; H292-I296 PolarHBondContact O-N 3.15Å; L293-I296 HydrophobicContact CD1-CB 4.46Å; L293-I296 HydrophobicContact CD1-CG2 4.28Å; L293-I296 WeakPolarHBondContact O-CB 3.37Å; L293-I296 PolarHBondContact O-N 2.71Å; A294-I296 VanDerWaalsContact C-N 3.28Å; A294-I296 PolarHBondContact O-N 3.21Å; I296-R299 PolarHBondContact O-N 3.47Å; I296-V300 VanDerWaalsContact O-CG2 3.3Å; I296-V300 WeakPolarHBondContact O-CG2 3.38Å; I296-V300 PolarHBondContact O-N 2.79Å; I296-M384 HydrophobicContact CD1-CE 3.88Å
297	F	67.8	Low	63.6	Low	3 Å²	3	44.1 Å²	44.1	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-70.5	-36.9	-178.3	-77.5	-56.7	0	0	0	112.8	L267 L277 L281 L293 A294 V300 R301	L267-F297 HydrophobicContact CD1-CD1 4.44Å; L267-F297 HydrophobicContact CD1-CE1 4.03Å; L277-F297 HydrophobicContact CD2-CZ 4.4Å; L277-F297 HydrophobicContact CG-CZ 4.4Å; L281-F297 HydrophobicContact CB-CE2 4.39Å; L281-F297 HydrophobicContact CD1-CE2 3.71Å; L281-F297 HydrophobicContact CD1-CZ 4.11Å; L293-F297 HydrophobicContact CD1-CD2 3.79Å; L293-F297 HydrophobicContact CD1-CE2 3.43Å; L293-F297 VanDerWaalsContact CD1-CE2 3.43Å; L293-F297 HydrophobicContact CD1-CZ 4.11Å; L293-F297 HydrophobicContact CD2-CE2 3.97Å; L293-F297 HydrophobicContact CG-CD2 3.78Å; L293-F297 HydrophobicContact CG-CE2 3.6Å; L293-F297 WeakPolarHBondContact O-CD2 3.12Å; L293-F297 PolarHBondContact O-N 2.77Å; A294-F297 PolarHBondContact O-N 3.17Å; A294-F297 VanDerWaalsContact O-N 3.09Å; F297-V300 PolarHBondContact O-N 2.87Å; F297-V300 VanDerWaalsContact O-N 3.14Å; F297-R301 WeakPolarHBondContact O-CB 3.39Å; F297-R301 PolarHBondContact O-N 2.93Å
298	E	67.2	Low	65.9	Low	87 Å²	87	41.2 Å²	41.2	41%	0.407	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-48	170.2	-167.7	-163.8	-166.9	0	0	110.6	A294 V300 R301 Q302	A294-E298 WeakPolarHBondContact O-CB 3.18Å; A294-E298 PolarHBondContact O-N 3.18Å; E298-V300 VanDerWaalsContact C-N 3.27Å; E298-V300 PolarHBondContact O-N 2.88Å; E298-R301 WeakPolarHBondContact O-CB 3.26Å; E298-R301 PolarHBondContact O-N 3.39Å; E298-R301 VanDerWaalsContact O-N 3.16Å; E298-Q302 VanDerWaalsContact CD-NE2 3.31Å; E298-Q302 HydrophobicContact CG-CG 4.45Å; E298-Q302 WeakPolarHBondContact O-CB 3.5Å; E298-Q302 WeakPolarHBondContact O-CG 3.43Å; E298-Q302 PolarHBondContact O-N 2.95Å; E298-Q302 PolarHBondContact OE1-NE2 3.09Å
299	R	68.1	Low	68	Low	77 Å²	77	43 Å²	43	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-35.9	173.5	-80	-178.6	64.8	179	0.5	112.6	E261 V264 K295 I296 S303	E261-R299 IonicContact OE1-CZ 3.64Å; E261-R299 IonicContact OE1-NH1 3.66Å; E261-R299 PolarHBondContact OE1-NH1 3.36Å; E261-R299 IonicContact OE1-NH2 3.77Å; E261-R299 PolarHBondContact OE1-NH2 3.25Å; V264-R299 HydrophobicContact CG1-CB 4.18Å; V264-R299 HydrophobicContact CG2-CB 4.24Å; K295-R299 VanDerWaalsContact O-CB 3.25Å; K295-R299 WeakPolarHBondContact O-CB 3.25Å; K295-R299 WeakPolarHBondContact O-CG 3.42Å; K295-R299 PolarHBondContact O-N 3.11Å; I296-R299 PolarHBondContact O-N 3.47Å; R299-S303 WeakPolarHBondContact O-CA 3.33Å; R299-S303 WeakPolarHBondContact O-CB 3.42Å; R299-S303 PolarHBondContact O-N 3.17Å; R299-S303 PolarHBondContact O-OG 2.74Å
300	V	67.8	Low	69.9	Low	2 Å²	2	51.6 Å²	51.6	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-41	176.1	169.9	0	0	0	0	111.3	V264 L267 L275 I296 F297 E298	V264-V300 HydrophobicContact CB-CG2 4.29Å; V264-V300 HydrophobicContact CG1-CG2 4.04Å; V264-V300 HydrophobicContact CG2-CG2 4.33Å; L267-V300 HydrophobicContact CB-CG1 4.12Å; L267-V300 HydrophobicContact CB-CG2 3.68Å; L267-V300 HydrophobicContact CD1-CG2 4.02Å; L267-V300 HydrophobicContact CG-CG2 4.49Å; L275-V300 HydrophobicContact CD2-CG1 3.85Å; L275-V300 HydrophobicContact CG-CG1 4.12Å; I296-V300 VanDerWaalsContact O-CG2 3.3Å; I296-V300 WeakPolarHBondContact O-CG2 3.38Å; I296-V300 PolarHBondContact O-N 2.79Å; F297-V300 PolarHBondContact O-N 2.87Å; F297-V300 VanDerWaalsContact O-N 3.14Å; E298-V300 VanDerWaalsContact C-N 3.27Å; E298-V300 PolarHBondContact O-N 2.88Å
301	R	64.3	Low	71.5	Confident	91 Å²	91	49.8 Å²	49.8	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-45.1	174.5	-174.4	179.9	-178.8	-124.9	0.4	111.5	F297 E298 D454 N490 S492	F297-R301 WeakPolarHBondContact O-CB 3.39Å; F297-R301 PolarHBondContact O-N 2.93Å; E298-R301 WeakPolarHBondContact O-CB 3.26Å; E298-R301 PolarHBondContact O-N 3.39Å; E298-R301 VanDerWaalsContact O-N 3.16Å; R301-D454 IonicContact CZ-OD2 2.71Å; R301-D454 VanDerWaalsContact CZ-OD2 3.3Å; R301-D454 IonicContact NH1-OD2 3.39Å; R301-D454 PolarHBondContact NH1-OD2 3.27Å; R301-D454 IonicContact NH2-OD2 2.69Å; R301-D454 PolarHBondContact NH2-OD2 3.16Å; R301-N490 PolarHBondContact NH2-OD1 2.83Å; R301-S492 PolarHBondContact NH2-OG 3.24Å
302	Q	62.4	Low	73.1	Confident	101 Å²	101	46.2 Å²	46.2	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-75.4	-38.1	178.9	-66.9	175.2	2.6	0	0	113.3	S198 E298 A304	S198-Q302 WeakPolarHBondContact CB-O 3.47Å; E298-Q302 VanDerWaalsContact CD-NE2 3.31Å; E298-Q302 HydrophobicContact CG-CG 4.45Å; E298-Q302 WeakPolarHBondContact O-CB 3.5Å; E298-Q302 WeakPolarHBondContact O-CG 3.43Å; E298-Q302 PolarHBondContact O-N 2.95Å; E298-Q302 PolarHBondContact OE1-NE2 3.09Å; Q302-A304 VanDerWaalsContact C-N 3.31Å; Q302-A304 PolarHBondContact O-N 3.03Å
303	S	61.1	Low	74.4	Confident	26 Å²	26	44 Å²	44	18%	0.182	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	40.6	-174.9	-46.2	0	0	0	0	112.6	C268 R299 D305	C268-S303 PolarHBondContact SG-O 2.83Å; R299-S303 WeakPolarHBondContact O-CA 3.33Å; R299-S303 WeakPolarHBondContact O-CB 3.42Å; R299-S303 PolarHBondContact O-N 3.17Å; R299-S303 PolarHBondContact O-OG 2.74Å; S303-D305 PolarHBondContact O-N 3.19Å
304	A	62.8	Low	75.7	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.033	23%	0.231	C	C	.	.			trans	-69.1	97.9	177.7	0	0	0	0	0	110.7	Q302 A338	Q302-A304 VanDerWaalsContact C-N 3.31Å; Q302-A304 PolarHBondContact O-N 3.03Å; A304-A338 HydrophobicContact CB-CB 3.44Å; A304-A338 VanDerWaalsContact CB-CB 3.44Å
305	D	71.4	Confident	77.2	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.027	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-57.4	137.7	170.1	-69.6	-57.8	0	0	0	110.2	R202 R204 R271 S303	R202-D305 PolarHBondContact N-OD1 2.91Å; R202-D305 CarbonylContact O-C 3.44Å; R202-D305 VanDerWaalsContact O-CA 3.3Å; R202-D305 WeakPolarHBondContact O-CA 3.32Å; R202-D305 VanDerWaalsContact O-CB 3.28Å; R202-D305 WeakPolarHBondContact O-CB 3.29Å; R204-D305 HydrophobicContact CB-CB 4Å; R204-D305 WeakPolarHBondContact CD-OD2 3.47Å; R204-D305 HydrophobicContact CG-CB 4.01Å; R204-D305 IonicContact CZ-OD1 3.16Å; R204-D305 IonicContact CZ-OD2 3.42Å; R204-D305 IonicContact NE-OD1 2.84Å; R204-D305 PolarHBondContact NE-OD1 3.42Å; R204-D305 IonicContact NE-OD2 3.63Å; R204-D305 PolarHBondContact NE-OD2 2.94Å; R204-D305 IonicContact NH1-OD1 2.68Å; R204-D305 IonicContact NH1-OD2 2.8Å; R204-D305 PolarHBondContact NH1-OD2 2.85Å; R204-D305 IonicContact NH2-OD1 2.74Å; R204-D305 IonicContact NH2-OD2 3.16Å; R271-D305 PolarHBondContact NH1-O 3.01Å; S303-D305 PolarHBondContact O-N 3.19Å
306	F	78.5	Confident	78.4	Confident	37 Å²	37	44 Å²	44	16%	0.162	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-89.2	156.2	179.2	60.5	-87.8	0	0	0	112.5	L197 R202 E203 R204 P335	L197-F306 HydrophobicContact CD1-CB 4.17Å; L197-F306 HydrophobicContact CD1-CD1 3.91Å; L197-F306 HydrophobicContact CD1-CG 4.33Å; R202-F306 PolarHBondContact O-N 2.86Å; E203-F306 HydrophobicContact CB-CD2 4.17Å; E203-F306 HydrophobicContact CB-CE1 4.49Å; E203-F306 HydrophobicContact CB-CE2 3.56Å; E203-F306 HydrophobicContact CB-CZ 3.75Å; E203-F306 HydrophobicContact CG-CD2 4.24Å; E203-F306 HydrophobicContact CG-CE2 3.85Å; R204-F306 PolarHBondContact N-O 3.41Å; F306-P335 HydrophobicContact CB-CG 3.54Å; F306-P335 HydrophobicContact CD2-CG 4.33Å; F306-P335 HydrophobicContact CG-CG 4.09Å
307	M	83.9	Confident	79.6	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.015	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-78.8	136.4	179.1	168	173.1	53.4	0	0	111.2	V206 Q311 M312 Q343 I359 Y361 P362	V206-M307 HydrophobicContact CG2-CB 3.91Å; V206-M307 HydrophobicContact CG2-CG 3.88Å; V206-M307 HydrophobicContact CG2-SD 3.95Å; M307-Q311 HydrophobicContact CG-CB 3.51Å; M307-Q311 HydrophobicContact SD-CB 3.51Å; M307-Q311 VanDerWaalsContact SD-CB 3.51Å; M307-M312 HydrophobicContact CE-CB 3.98Å; M307-Q343 VanDerWaalsContact CB-OE1 3.3Å; M307-Q343 HydrophobicContact CE-CG 4.46Å; M307-I359 HydrophobicContact CE-CG2 4.38Å; M307-Y361 HydrophobicContact CB-CD1 3.83Å; M307-Y361 HydrophobicContact CB-CE1 3.74Å; M307-Y361 HydrophobicContact CE-CD1 3.93Å; M307-Y361 HydrophobicContact CE-CE1 4.45Å; M307-Y361 HydrophobicContact SD-CD1 4.04Å; M307-P362 WeakPolarHBondContact SD-CD 3.28Å; M307-P362 HydrophobicContact SD-CG 3.95Å
308	P	87	Confident	80.8	Confident	19 Å²	19	52.1 Å²	52.1	12%	0.123	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-52.8	143.5	174.1	-30.5	34.3	0	0	0	114.5	E203 R204 K205 K310 Q311 M312	E203-P308 HydrophobicContact CG-CB 4.2Å; E203-P308 HydrophobicContact CG-CG 3.94Å; E203-P308 WeakPolarHBondContact OE1-CA 3.25Å; E203-P308 WeakPolarHBondContact OE1-CB 3.46Å; R204-P308 WeakPolarHBondContact O-CD 3.37Å; K205-P308 HydrophobicContact CB-CG 4.2Å; P308-K310 PolarHBondContact O-N 3.26Å; P308-K310 VanDerWaalsContact O-N 3.12Å; P308-Q311 PolarHBondContact O-N 3.15Å; P308-M312 PolarHBondContact O-N 2.88Å; P308-M312 VanDerWaalsContact O-N 3.12Å
309	L	88.4	Confident	82.1	Confident	60 Å²	60	49.9 Å²	49.9	31%	0.314	24%	0.236	S	C	.	.	H	α-helix	trans	-47	-46.5	177.2	178.1	61.9	0	0	0	111.9	Q311 M312 M313 E333	L309-Q311 PolarHBondContact O-N 2.97Å; L309-M312 HydrophobicContact CD1-CE 3.61Å; L309-M312 HydrophobicContact CD1-SD 4.43Å; L309-M312 PolarHBondContact O-N 2.91Å; L309-M313 HydrophobicContact CD1-CG 3.74Å; L309-M313 HydrophobicContact CD1-SD 4.1Å; L309-M313 HydrophobicContact CG-CG 4Å; L309-M313 VanDerWaalsContact O-CB 3.3Å; L309-M313 WeakPolarHBondContact O-CB 3.45Å; L309-M313 WeakPolarHBondContact O-CG 3.37Å; L309-M313 PolarHBondContact O-N 3.42Å; L309-E333 HydrophobicContact CD1-CB 4.1Å; L309-E333 HydrophobicContact CD1-CG 4.01Å; L309-E333 VanDerWaalsContact CD2-OE2 3.26Å; L309-E333 WeakPolarHBondContact CD2-OE2 3.36Å
310	K	90.6	Very high	83.4	Confident	187 Å²	187	47.4 Å²	47.4	81%	0.813	23%	0.228	S	C	*	.	H	α-helix	trans	-63.6	-22.8	-179.7	-67	-173.3	179.2	-178.4	0	114.8	P308	P308-K310 PolarHBondContact O-N 3.26Å; P308-K310 VanDerWaalsContact O-N 3.12Å
311	Q	89.8	Confident	84.6	Confident	25 Å²	25	48.3 Å²	48.3	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-86.7	-43.2	173.8	-71.5	-173.4	-68.2	0	0	111.1	V206 M307 P308 L309 K314 T315 P362	V206-Q311 PolarHBondContact O-NE2 2.89Å; M307-Q311 HydrophobicContact CG-CB 3.51Å; M307-Q311 HydrophobicContact SD-CB 3.51Å; M307-Q311 VanDerWaalsContact SD-CB 3.51Å; P308-Q311 PolarHBondContact O-N 3.15Å; L309-Q311 PolarHBondContact O-N 2.97Å; Q311-K314 WeakPolarHBondContact O-CB 3.24Å; Q311-K314 PolarHBondContact O-N 3.45Å; Q311-K314 VanDerWaalsContact O-N 3.1Å; Q311-T315 PolarHBondContact O-N 3.39Å; Q311-T315 VanDerWaalsContact O-N 3.08Å; Q311-T315 PolarHBondContact O-OG1 2.8Å; Q311-P362 HydrophobicContact CB-CG 4.33Å
312	M	93	Very high	85.9	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-50.9	173.5	-178.4	-149.6	85	0	0	111.8	M307 P308 L309 K314 T315 L316 F331 H345 I359	M307-M312 HydrophobicContact CE-CB 3.98Å; P308-M312 PolarHBondContact O-N 2.88Å; P308-M312 VanDerWaalsContact O-N 3.12Å; L309-M312 HydrophobicContact CD1-CE 3.61Å; L309-M312 HydrophobicContact CD1-SD 4.43Å; L309-M312 PolarHBondContact O-N 2.91Å; M312-K314 PolarHBondContact O-N 3.22Å; M312-T315 PolarHBondContact O-N 2.85Å; M312-T315 VanDerWaalsContact O-N 3.16Å; M312-L316 HydrophobicContact CE-CD1 3.76Å; M312-L316 HydrophobicContact CG-CD1 4.17Å; M312-L316 PolarHBondContact O-N 3.49Å; M312-F331 HydrophobicContact CE-CD1 4.36Å; M312-F331 HydrophobicContact CE-CE1 3.37Å; M312-F331 HydrophobicContact CE-CZ 3.71Å; M312-F331 HydrophobicContact SD-CE1 3.64Å; M312-F331 HydrophobicContact SD-CZ 3.7Å; M312-H345 PolarHBondContact SD-CE1 3.47Å; M312-H345 PolarHBondContact SD-NE2 2.82Å; M312-I359 HydrophobicContact CG-CD1 3.71Å; M312-I359 HydrophobicContact SD-CD1 4.34Å
313	M	92.4	Very high	87.3	Confident	47 Å²	47	47.7 Å²	47.7	23%	0.232	26%	0.256	C	S	.	.	H	α-helix	trans	-54.9	-36.7	174.3	-71	-64.4	-54.2	0	0	112.1	L309 N317 W324 R325	L309-M313 HydrophobicContact CD1-CG 3.74Å; L309-M313 HydrophobicContact CD1-SD 4.1Å; L309-M313 HydrophobicContact CG-CG 4Å; L309-M313 VanDerWaalsContact O-CB 3.3Å; L309-M313 WeakPolarHBondContact O-CB 3.45Å; L309-M313 WeakPolarHBondContact O-CG 3.37Å; L309-M313 PolarHBondContact O-N 3.42Å; M313-N317 VanDerWaalsContact O-CB 3.26Å; M313-N317 WeakPolarHBondContact O-CB 3.46Å; M313-N317 VanDerWaalsContact O-CG 3.22Å; M313-N317 PolarHBondContact O-N 3.02Å; M313-N317 PolarHBondContact O-OD1 3.1Å; M313-W324 HydrophobicContact CE-CZ2 3.81Å; M313-W324 HydrophobicContact SD-CH2 4.43Å; M313-W324 HydrophobicContact SD-CZ2 3.64Å; M313-R325 PolarHBondContact SD-NH2 3.35Å
314	K	92.7	Very high	88.9	Confident	135 Å²	135	46.5 Å²	46.5	59%	0.587	25%	0.248	S	C	*	.	H	α-helix	trans	-70.7	-42.2	179.1	-174.6	172.1	-179.4	177	0	111.7	Q311 M312 N317 N318	Q311-K314 WeakPolarHBondContact O-CB 3.24Å; Q311-K314 PolarHBondContact O-N 3.45Å; Q311-K314 VanDerWaalsContact O-N 3.1Å; M312-K314 PolarHBondContact O-N 3.22Å; K314-N317 PolarHBondContact O-N 3.05Å; K314-N318 VanDerWaalsContact O-CB 3.32Å; K314-N318 WeakPolarHBondContact O-CB 3.5Å; K314-N318 PolarHBondContact O-N 3.36Å; K314-N318 PolarHBondContact O-OD1 2.81Å
315	T	92.6	Very high	90.4	Very high	10 Å²	10	51 Å²	51	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-49.4	174.5	-52.8	0	0	0	0	110.3	Q311 M312 N317 N318 D319 I359 H441	Q311-T315 PolarHBondContact O-N 3.39Å; Q311-T315 VanDerWaalsContact O-N 3.08Å; Q311-T315 PolarHBondContact O-OG1 2.8Å; M312-T315 PolarHBondContact O-N 2.85Å; M312-T315 VanDerWaalsContact O-N 3.16Å; T315-N317 PolarHBondContact O-N 3.42Å; T315-N318 PolarHBondContact O-N 3.33Å; T315-D319 WeakPolarHBondContact O-CB 3.5Å; T315-D319 PolarHBondContact O-N 3.24Å; T315-D319 VanDerWaalsContact O-N 3.08Å; T315-I359 HydrophobicContact CG2-CG2 3.98Å; T315-H441 HydrophobicContact CG2-CB 3.95Å
316	L	94.9	Very high	91.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-45.3	178	-67.7	167.9	0	0	0	112.8	M312 N318 D319 L320 W324 F331 M357 I359 V442	M312-L316 HydrophobicContact CE-CD1 3.76Å; M312-L316 HydrophobicContact CG-CD1 4.17Å; M312-L316 PolarHBondContact O-N 3.49Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 2.89Å; L316-D319 PolarHBondContact O-N 3.48Å; L316-L320 HydrophobicContact CD2-CD1 3.99Å; L316-L320 WeakPolarHBondContact O-CB 3.39Å; L316-L320 PolarHBondContact O-N 3.16Å; L316-W324 HydrophobicContact CB-CD2 4.06Å; L316-W324 HydrophobicContact CB-CG 4.21Å; L316-W324 HydrophobicContact CB-CZ2 4.12Å; L316-W324 HydrophobicContact CD1-CD2 4.28Å; L316-W324 HydrophobicContact CD1-CE3 4.35Å; L316-W324 HydrophobicContact CD1-CH2 3.52Å; L316-W324 HydrophobicContact CD1-CZ2 3.4Å; L316-W324 VanDerWaalsContact CD1-CZ2 3.4Å; L316-W324 HydrophobicContact CD1-CZ3 3.99Å; L316-W324 HydrophobicContact CG-CZ2 4.38Å; L316-F331 HydrophobicContact CD1-CE2 4.32Å; L316-F331 HydrophobicContact CD1-CZ 4.11Å; L316-M357 HydrophobicContact CD2-CE 4.06Å; L316-I359 HydrophobicContact CD1-CD1 3.82Å; L316-I359 HydrophobicContact CD2-CD1 3.8Å; L316-I359 HydrophobicContact CD2-CG1 4.13Å; L316-I359 HydrophobicContact CG-CD1 3.96Å; L316-V442 HydrophobicContact CD2-CG1 4.28Å; L316-V442 HydrophobicContact CD2-CG2 3.98Å
317	N	94.5	Very high	92.1	Very high	63 Å²	63	57.7 Å²	57.7	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-31.9	177.9	-76.8	33.4	0	0	0	113.4	M313 K314 T315 G321 W324	M313-N317 VanDerWaalsContact O-CB 3.26Å; M313-N317 WeakPolarHBondContact O-CB 3.46Å; M313-N317 VanDerWaalsContact O-CG 3.22Å; M313-N317 PolarHBondContact O-N 3.02Å; M313-N317 PolarHBondContact O-OD1 3.1Å; K314-N317 PolarHBondContact O-N 3.05Å; T315-N317 PolarHBondContact O-N 3.42Å; N317-G321 CarbonylContact O-C 3.51Å; N317-G321 WeakPolarHBondContact O-CA 3.38Å; N317-G321 PolarHBondContact O-N 3.37Å; N317-W324 VanDerWaalsContact OD1-CD1 3.32Å; N317-W324 PolarHBondContact OD1-NE1 3Å
318	N	93.5	Very high	92.7	Very high	115 Å²	115	58.1 Å²	58.1	62%	0.615	30%	0.3	S	S	*	.	H	α-helix	trans	-69.8	-42.4	176.7	-81	7.6	0	0	0	111.7	K314 T315 L316	K314-N318 VanDerWaalsContact O-CB 3.32Å; K314-N318 WeakPolarHBondContact O-CB 3.5Å; K314-N318 PolarHBondContact O-N 3.36Å; K314-N318 PolarHBondContact O-OD1 2.81Å; T315-N318 PolarHBondContact O-N 3.33Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 2.89Å
319	D	94.3	Very high	93.2	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.214	32%	0.318	C	S	.	.	H	α-helix	trans	-94	-40.2	-168.7	-91.2	58.1	0	0	0	113.9	T315 L316 S439 H441 V442	T315-D319 WeakPolarHBondContact O-CB 3.5Å; T315-D319 PolarHBondContact O-N 3.24Å; T315-D319 VanDerWaalsContact O-N 3.08Å; L316-D319 PolarHBondContact O-N 3.48Å; D319-S439 WeakPolarHBondContact CB-OG 3.47Å; D319-S439 VanDerWaalsContact OD2-CB 3.29Å; D319-S439 WeakPolarHBondContact OD2-CB 3.49Å; D319-S439 PolarHBondContact OD2-OG 3.45Å; D319-H441 VanDerWaalsContact CG-ND1 3.28Å; D319-H441 IonicContact OD1-CE1 2.71Å; D319-H441 IonicContact OD1-CG 3.51Å; D319-H441 IonicContact OD1-ND1 3.95Å; D319-H441 PolarHBondContact OD1-ND1 2.95Å; D319-H441 WeakPolarHBondContact OD2-CB 3.32Å; D319-H441 IonicContact OD2-CG 2.71Å; D319-H441 PolarHBondContact OD2-N 2.62Å; D319-H441 IonicContact OD2-ND1 3.73Å; D319-H441 PolarHBondContact OD2-ND1 2.94Å; D319-V442 HydrophobicContact CB-CG2 4.24Å
320	L	94.6	Very high	93.5	Very high	24 Å²	24	64.4 Å²	64.4	13%	0.126	32%	0.322	C	S	.	.	S	Bend	trans	-106	3.2	-176.2	-58.1	179.7	0	0	0	112.7	L316 W324 M357 L437 V442	L316-L320 HydrophobicContact CD2-CD1 3.99Å; L316-L320 WeakPolarHBondContact O-CB 3.39Å; L316-L320 PolarHBondContact O-N 3.16Å; L320-W324 HydrophobicContact CB-CB 3.58Å; L320-W324 HydrophobicContact CB-CG 4.45Å; L320-W324 HydrophobicContact CD1-CB 4.28Å; L320-M357 HydrophobicContact CD1-CE 4.08Å; L320-L437 HydrophobicContact CD1-CD2 4.28Å; L320-V442 HydrophobicContact CD1-CG1 4.31Å; L320-V442 HydrophobicContact CD1-CG2 4.46Å; L320-V442 HydrophobicContact CG-CG2 4.47Å
321	G	94	Very high	93.8	Very high	22 Å²	22	56.3 Å²	56.3	23%	0.227	29%	0.287	C	S	.	.			trans	77.4	168.6	-176.1	0	0	0	0	0	113.7	N317 S323 W324	N317-G321 CarbonylContact O-C 3.51Å; N317-G321 WeakPolarHBondContact O-CA 3.38Å; N317-G321 PolarHBondContact O-N 3.37Å; G321-S323 PolarHBondContact O-N 2.87Å; G321-W324 VanDerWaalsContact O-CD1 3.28Å; G321-W324 PolarHBondContact O-N 3.43Å
322	P	91.3	Very high	94	Very high	111 Å²	111	57.9 Å²	57.9	72%	0.721	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.2	-174.9	27.4	-35.5	0	0	0	114.2
323	S	92.6	Very high	93.9	Very high	67 Å²	67	62 Å²	62	47%	0.469	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	14.9	-179	46.1	0	0	0	0	114.1	G321 R325 D326	G321-S323 PolarHBondContact O-N 2.87Å; S323-R325 PolarHBondContact O-N 3.26Å; S323-R325 VanDerWaalsContact O-N 3.1Å; S323-D326 WeakPolarHBondContact CB-OD2 3.39Å; S323-D326 VanDerWaalsContact O-CB 3.28Å; S323-D326 WeakPolarHBondContact O-CB 3.4Å; S323-D326 PolarHBondContact O-N 3.22Å
324	W	94.3	Very high	93.6	Very high	1 Å²	1	66.1 Å²	66.1	0%	0.004	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-56.5	-30.9	-178.4	70.2	-97.1	0	0	0	113.9	M313 L316 N317 L320 G321 D326 K327 L328 F331	M313-W324 HydrophobicContact CE-CZ2 3.81Å; M313-W324 HydrophobicContact SD-CH2 4.43Å; M313-W324 HydrophobicContact SD-CZ2 3.64Å; L316-W324 HydrophobicContact CB-CD2 4.06Å; L316-W324 HydrophobicContact CB-CG 4.21Å; L316-W324 HydrophobicContact CB-CZ2 4.12Å; L316-W324 HydrophobicContact CD1-CD2 4.28Å; L316-W324 HydrophobicContact CD1-CE3 4.35Å; L316-W324 HydrophobicContact CD1-CH2 3.52Å; L316-W324 HydrophobicContact CD1-CZ2 3.4Å; L316-W324 VanDerWaalsContact CD1-CZ2 3.4Å; L316-W324 HydrophobicContact CD1-CZ3 3.99Å; L316-W324 HydrophobicContact CG-CZ2 4.38Å; N317-W324 VanDerWaalsContact OD1-CD1 3.32Å; N317-W324 PolarHBondContact OD1-NE1 3Å; L320-W324 HydrophobicContact CB-CB 3.58Å; L320-W324 HydrophobicContact CB-CG 4.45Å; L320-W324 HydrophobicContact CD1-CB 4.28Å; G321-W324 VanDerWaalsContact O-CD1 3.28Å; G321-W324 PolarHBondContact O-N 3.43Å; W324-D326 PolarHBondContact O-N 3.43Å; W324-K327 PolarHBondContact O-N 3.31Å; W324-L328 HydrophobicContact CE3-CD1 3.97Å; W324-L328 HydrophobicContact CZ3-CD1 3.67Å; W324-F331 HydrophobicContact CH2-CD1 4.15Å; W324-F331 AromaticContact CH2-CD2 3.97Å; W324-F331 HydrophobicContact CH2-CD2 3.97Å; W324-F331 HydrophobicContact CH2-CE1 4.35Å; W324-F331 HydrophobicContact CH2-CE2 4.17Å; W324-F331 AromaticContact CH2-CG 3.96Å; W324-F331 HydrophobicContact CH2-CG 3.96Å; W324-F331 HydrophobicContact CH2-CZ 4.36Å; W324-F331 HydrophobicContact CZ3-CB 4.45Å; W324-F331 AromaticContact CZ3-CD2 3.66Å; W324-F331 HydrophobicContact CZ3-CD2 3.66Å; W324-F331 HydrophobicContact CZ3-CE2 4.04Å; W324-F331 AromaticContact CZ3-CG 3.98Å; W324-F331 HydrophobicContact CZ3-CG 3.98Å
325	R	93.9	Very high	93.5	Very high	98 Å²	98	59.8 Å²	59.8	37%	0.37	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.7	-23.5	174.7	-72.2	-163.7	177.2	-145.4	2.7	113	M313 S323 K327 L328 E333	M313-R325 PolarHBondContact SD-NH2 3.35Å; S323-R325 PolarHBondContact O-N 3.26Å; S323-R325 VanDerWaalsContact O-N 3.1Å; R325-K327 PolarHBondContact O-N 2.8Å; R325-L328 PolarHBondContact O-N 3.16Å; R325-E333 IonicContact CZ-OE1 3.72Å; R325-E333 IonicContact NH1-OE1 2.74Å; R325-E333 PolarHBondContact NH1-OE1 2.83Å; R325-E333 VanDerWaalsContact NH1-OE1 3.13Å; R325-E333 IonicContact NH2-OE1 3.15Å; R325-E333 PolarHBondContact NH2-OE1 2.86Å
326	D	93.8	Very high	93.1	Very high	106 Å²	106	60.6 Å²	60.6	57%	0.567	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-71.2	-7.8	178.9	-59.6	-41.3	0	0	0	113.2	S323 W324 K350	S323-D326 WeakPolarHBondContact CB-OD2 3.39Å; S323-D326 VanDerWaalsContact O-CB 3.28Å; S323-D326 WeakPolarHBondContact O-CB 3.4Å; S323-D326 PolarHBondContact O-N 3.22Å; W324-D326 PolarHBondContact O-N 3.43Å; D326-K350 WeakPolarHBondContact O-CD 3.43Å; D326-K350 WeakPolarHBondContact O-CE 3.35Å; D326-K350 PolarHBondContact O-NZ 3.1Å
327	K	92.9	Very high	92.3	Very high	77 Å²	77	61.2 Å²	61.2	34%	0.335	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-86	-10.9	170	-65.6	175.7	174.4	172.5	0	113.3	W324 R325 K350 E436 L437	W324-K327 PolarHBondContact O-N 3.31Å; R325-K327 PolarHBondContact O-N 2.8Å; K327-K350 PolarHBondContact O-N 3.41Å; K327-E436 PolarHBondContact NZ-O 2.75Å; K327-L437 HydrophobicContact CB-CD2 4.07Å; K327-L437 HydrophobicContact CD-CD2 3.65Å; K327-L437 HydrophobicContact CD-CG 4.48Å
328	L	96.3	Very high	91.4	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.1	-169.5	-56.5	178.8	0	0	0	112.5	W324 R325 F331 A347 R348 M349 K350 M357 L437	W324-L328 HydrophobicContact CE3-CD1 3.97Å; W324-L328 HydrophobicContact CZ3-CD1 3.67Å; R325-L328 PolarHBondContact O-N 3.16Å; L328-F331 HydrophobicContact CD1-CB 4.03Å; L328-F331 HydrophobicContact CD1-CD2 3.89Å; L328-F331 HydrophobicContact CD1-CG 4.4Å; L328-A347 HydrophobicContact CD1-CB 4.05Å; L328-A347 HydrophobicContact CD2-CB 4.14Å; L328-R348 CarbonylContact C-O 3.57Å; L328-R348 WeakPolarHBondContact CA-O 3.49Å; L328-M349 HydrophobicContact CD2-CG 4.32Å; L328-K350 WeakPolarHBondContact O-CE 3.47Å; L328-M357 HydrophobicContact CD1-SD 4.23Å; L328-L437 HydrophobicContact CD2-CD1 3.85Å
329	E	96.2	Very high	90.5	Very high	108 Å²	108	55.5 Å²	55.5	51%	0.505	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-36	161.6	-77.7	164.2	-159	0	0	111.1	R348 M349 K350 G351 G352	E329-R348 PolarHBondContact N-O 2.91Å; E329-M349 VanDerWaalsContact CD-O 3.31Å; E329-K350 HydrophobicContact CG-CG 4.19Å; E329-K350 WeakPolarHBondContact OE1-CA 3.29Å; E329-G351 PolarHBondContact OE1-N 2.73Å; E329-G352 PolarHBondContact OE1-N 3Å
330	Y	96.3	Very high	89.6	Confident	102 Å²	102	54 Å²	54	40%	0.4	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.3	-174.4	178.3	-106.1	0	0	0	111	E332 A347 R348	Y330-E332 HydrophobicContact CE1-CB 3.9Å; Y330-A347 CarbonylContact O-C 3.55Å; Y330-A347 VanDerWaalsContact O-CA 3.32Å; Y330-A347 WeakPolarHBondContact O-CA 3.43Å; Y330-A347 WeakPolarHBondContact O-CB 3.32Å; Y330-R348 PolarHBondContact N-O 2.93Å; Y330-R348 PolarHBondContact O-N 2.86Å
331	F	95.8	Very high	89	Confident	18 Å²	18	53 Å²	53	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	122.2	172	-178.4	-85.9	0	0	0	108.4	M312 L316 W324 L328 E333 H345 A347 M357 I359	M312-F331 HydrophobicContact CE-CD1 4.36Å; M312-F331 HydrophobicContact CE-CE1 3.37Å; M312-F331 HydrophobicContact CE-CZ 3.71Å; M312-F331 HydrophobicContact SD-CE1 3.64Å; M312-F331 HydrophobicContact SD-CZ 3.7Å; L316-F331 HydrophobicContact CD1-CE2 4.32Å; L316-F331 HydrophobicContact CD1-CZ 4.11Å; W324-F331 HydrophobicContact CH2-CD1 4.15Å; W324-F331 AromaticContact CH2-CD2 3.97Å; W324-F331 HydrophobicContact CH2-CD2 3.97Å; W324-F331 HydrophobicContact CH2-CE1 4.35Å; W324-F331 HydrophobicContact CH2-CE2 4.17Å; W324-F331 AromaticContact CH2-CG 3.96Å; W324-F331 HydrophobicContact CH2-CG 3.96Å; W324-F331 HydrophobicContact CH2-CZ 4.36Å; W324-F331 HydrophobicContact CZ3-CB 4.45Å; W324-F331 AromaticContact CZ3-CD2 3.66Å; W324-F331 HydrophobicContact CZ3-CD2 3.66Å; W324-F331 HydrophobicContact CZ3-CE2 4.04Å; W324-F331 AromaticContact CZ3-CG 3.98Å; W324-F331 HydrophobicContact CZ3-CG 3.98Å; L328-F331 HydrophobicContact CD1-CB 4.03Å; L328-F331 HydrophobicContact CD1-CD2 3.89Å; L328-F331 HydrophobicContact CD1-CG 4.4Å; F331-E333 HydrophobicContact CD1-CG 4.11Å; F331-E333 HydrophobicContact CE1-CG 4.48Å; F331-E333 PolarHBondContact O-N 3.21Å; F331-H345 HydrophobicContact CE1-CB 4.4Å; F331-H345 AromaticContact CE1-ND1 3.73Å; F331-H345 HydrophobicContact CE2-CB 3.88Å; F331-H345 HydrophobicContact CZ-CB 3.66Å; F331-H345 AromaticContact CZ-CG 3.58Å; F331-H345 AromaticContact CZ-ND1 3.63Å; F331-A347 HydrophobicContact CD2-CB 3.93Å; F331-M357 HydrophobicContact CD2-SD 3.93Å; F331-M357 HydrophobicContact CE2-SD 3.76Å; F331-I359 HydrophobicContact CE2-CD1 4.46Å; F331-I359 HydrophobicContact CZ-CD1 4.11Å
332	E	93.9	Very high	88.7	Confident	57 Å²	57	52 Å²	52	27%	0.266	26%	0.262	S	S	.	.			trans	-80	108.2	177.2	-162.7	174.6	149.5	0	0	109.5	Y330 R334 H345 L346	Y330-E332 HydrophobicContact CE1-CB 3.9Å; E332-R334 WeakPolarHBondContact CG-O 3.48Å; E332-R334 PolarHBondContact O-N 2.81Å; E332-H345 PolarHBondContact O-ND1 3.32Å; E332-L346 HydrophobicContact CB-CB 4.09Å; E332-L346 WeakPolarHBondContact CB-O 3.46Å; E332-L346 PolarHBondContact N-O 2.95Å
333	E	91.3	Very high	88.6	Confident	89 Å²	89	46.8 Å²	46.8	42%	0.416	23%	0.228	S	C	.	.	S	Bend	trans	-67.8	-17.3	-176.8	-65.6	-167.1	164.7	0	0	113.5	L309 R325 F331 H345	L309-E333 HydrophobicContact CD1-CB 4.1Å; L309-E333 HydrophobicContact CD1-CG 4.01Å; L309-E333 VanDerWaalsContact CD2-OE2 3.26Å; L309-E333 WeakPolarHBondContact CD2-OE2 3.36Å; R325-E333 IonicContact CZ-OE1 3.72Å; R325-E333 IonicContact NH1-OE1 2.74Å; R325-E333 PolarHBondContact NH1-OE1 2.83Å; R325-E333 VanDerWaalsContact NH1-OE1 3.13Å; R325-E333 IonicContact NH2-OE1 3.15Å; R325-E333 PolarHBondContact NH2-OE1 2.86Å; F331-E333 HydrophobicContact CD1-CG 4.11Å; F331-E333 HydrophobicContact CE1-CG 4.48Å; F331-E333 PolarHBondContact O-N 3.21Å; E333-H345 PolarHBondContact O-CE1 3.36Å
334	R	87.3	Confident	88.5	Confident	132 Å²	132	44.5 Å²	44.5	50%	0.498	21%	0.211	S	C	.	.	S	Bend	trans	-88.1	126.8	165.9	-174.4	175.2	-179	162.1	-0.4	108.8	E332	E332-R334 WeakPolarHBondContact CG-O 3.48Å; E332-R334 PolarHBondContact O-N 2.81Å
335	P	89.1	Confident	88.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.013	21%	0.211	C	C	.	.			trans	-69	144.4	170.4	20.5	-20.3	0	0	0	110.2	L197 F306 Q343 V344	L197-P335 HydrophobicContact CD1-CB 4.49Å; L197-P335 HydrophobicContact CD1-CG 4.06Å; L197-P335 WeakPolarHBondContact CD1-O 3.45Å; L197-P335 WeakPolarHBondContact CG-O 3.33Å; F306-P335 HydrophobicContact CB-CG 3.54Å; F306-P335 HydrophobicContact CD2-CG 4.33Å; F306-P335 HydrophobicContact CG-CG 4.09Å; P335-Q343 HydrophobicContact CB-CB 4.01Å; P335-Q343 HydrophobicContact CB-CG 4.16Å; P335-Q343 HydrophobicContact CG-CB 4.29Å; P335-Q343 HydrophobicContact CG-CG 4.28Å; P335-V344 CarbonylContact C-O 3.47Å; P335-V344 VanDerWaalsContact CA-O 3.23Å; P335-V344 WeakPolarHBondContact CA-O 3.4Å; P335-V344 VanDerWaalsContact CB-O 3.24Å; P335-V344 WeakPolarHBondContact CB-O 3.41Å
336	F	84.8	Confident	88.5	Confident	28 Å²	28	40.3 Å²	40.3	12%	0.123	20%	0.196	C	C	.	.	S	Bend	trans	-92.3	-23.2	178.3	72.4	-110.4	0	0	0	112.3	Q195 T196 L197 V344 H345 L346 A356 L447	Q195-F336 HydrophobicContact CB-CD2 3.75Å; Q195-F336 HydrophobicContact CB-CE2 4.18Å; Q195-F336 WeakPolarHBondContact O-CB 3.34Å; T196-F336 CarbonylContact C-O 3.59Å; T196-F336 WeakPolarHBondContact CA-O 3.4Å; L197-F336 PolarHBondContact N-O 3.12Å; F336-V344 HydrophobicContact CE1-CG1 3.88Å; F336-V344 HydrophobicContact CE2-CB 4.41Å; F336-V344 HydrophobicContact CE2-CG1 4.18Å; F336-V344 HydrophobicContact CZ-CB 4.2Å; F336-V344 HydrophobicContact CZ-CG1 3.54Å; F336-V344 PolarHBondContact N-O 3.4Å; F336-H345 VanDerWaalsContact CE1-C 3.49Å; F336-L346 HydrophobicContact CD1-CB 3.82Å; F336-L346 VanDerWaalsContact CD1-N 3.33Å; F336-L346 HydrophobicContact CE1-CB 4.09Å; F336-A356 HydrophobicContact CE1-CB 4.44Å; F336-A356 HydrophobicContact CZ-CB 4.13Å; F336-L447 HydrophobicContact CE1-CD1 4.23Å; F336-L447 HydrophobicContact CZ-CD1 4.09Å
337	A	78.6	Confident	88.6	Confident	12 Å²	12	35.3 Å²	35.3	10%	0.099	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.8	176.8	0	0	0	0	0	112.3	Q195 V344	Q195-A337 HydrophobicContact CB-CB 4.46Å; A337-V344 HydrophobicContact CB-CB 4.25Å; A337-V344 HydrophobicContact CB-CG2 4.4Å; A337-V344 PolarHBondContact N-O 3.01Å; A337-V344 PolarHBondContact O-N 2.92Å
338	A	75.1	Confident	88.8	Confident	44 Å²	44	35.8 Å²	35.8	36%	0.364	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.8	172.8	0	0	0	0	0	110.1	L197 A304	L197-A338 HydrophobicContact CD2-CB 4.26Å; A304-A338 HydrophobicContact CB-CB 3.44Å; A304-A338 VanDerWaalsContact CB-CB 3.44Å
339	A	74	Confident	88.8	Confident	14 Å²	14	36.1 Å²	36.1	12%	0.116	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	85.7	-172.1	0	0	0	0	0	111.1	I341 G342 V344 K358	A339-I341 PolarHBondContact O-N 3.45Å; A339-G342 CarbonylContact C-O 3.2Å; A339-G342 PolarHBondContact N-O 2.88Å; A339-G342 PolarHBondContact O-N 2.96Å; A339-V344 HydrophobicContact CB-CG2 3.88Å; A339-K358 HydrophobicContact CB-CD 4.37Å; A339-K358 HydrophobicContact CB-CG 4.4Å
340	S	76.5	Confident	88.5	Confident	9 Å²	9	37.1 Å²	37.1	6%	0.063	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	-88.9	-179.5	-179.9	0	0	0	0	115	G272 L275 E405	G272-S340 PolarHBondContact N-O 3.49Å; L275-S340 WeakPolarHBondContact CD1-O 3.35Å; S340-E405 WeakPolarHBondContact CB-OE2 3.34Å; S340-E405 PolarHBondContact OG-OE2 3.1Å
341	I	82.3	Confident	88.1	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	6.2	-180	64.9	162.9	0	0	0	114.2	A339 Q360 Y361 V364 L402 E405 C406 Y408	A339-I341 PolarHBondContact O-N 3.45Å; I341-Q360 HydrophobicContact CD1-CG 3.73Å; I341-Q360 HydrophobicContact CG1-CG 4.14Å; I341-Y361 WeakPolarHBondContact O-CB 3.32Å; I341-Y361 WeakPolarHBondContact O-CD2 3.29Å; I341-Y361 PolarHBondContact O-N 3.37Å; I341-V364 HydrophobicContact CB-CG2 4.28Å; I341-V364 HydrophobicContact CD1-CG2 4.45Å; I341-L402 HydrophobicContact CG2-CD2 4.18Å; I341-E405 HydrophobicContact CD1-CB 4.18Å; I341-E405 WeakPolarHBondContact CD1-O 3.42Å; I341-C406 HydrophobicContact CD1-CB 4.18Å; I341-C406 VanDerWaalsContact CD1-SG 3.6Å; I341-Y408 HydrophobicContact CD1-CE1 3.97Å; I341-Y408 HydrophobicContact CG1-CE1 4.35Å
342	G	87.4	Confident	87.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-164.5	-176.9	0	0	0	0	0	114.7	A339 I359 Y361	A339-G342 CarbonylContact C-O 3.2Å; A339-G342 PolarHBondContact N-O 2.88Å; A339-G342 PolarHBondContact O-N 2.96Å; G342-I359 CarbonylContact C-O 3.5Å; G342-I359 WeakPolarHBondContact CA-O 3.28Å; G342-Y361 WeakPolarHBondContact O-CE2 3.29Å; G342-Y361 VanDerWaalsContact O-CZ 3.3Å; G342-Y361 PolarHBondContact O-OH 2.96Å; G342-Y361 VanDerWaalsContact O-OH 3.08Å
343	Q	87.9	Confident	87.8	Confident	2 Å²	2	38 Å²	38	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.5	-179.7	66.6	-172.9	29.6	0	0	111.7	M307 P335 H345 I359 Y361	M307-Q343 VanDerWaalsContact CB-OE1 3.3Å; M307-Q343 HydrophobicContact CE-CG 4.46Å; P335-Q343 HydrophobicContact CB-CB 4.01Å; P335-Q343 HydrophobicContact CB-CG 4.16Å; P335-Q343 HydrophobicContact CG-CB 4.29Å; P335-Q343 HydrophobicContact CG-CG 4.28Å; Q343-H345 PolarHBondContact NE2-NE2 3.34Å; Q343-I359 PolarHBondContact N-O 2.77Å; Q343-I359 PolarHBondContact O-N 3.37Å; Q343-Y361 HydrophobicContact CB-CE1 4.24Å; Q343-Y361 HydrophobicContact CG-CE1 4.29Å
344	V	91.3	Very high	88.1	Confident	19 Å²	19	36.1 Å²	36.1	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.6	-173.5	-164.8	0	0	0	0	111	P335 F336 A337 A339 A356 M357 K358	P335-V344 CarbonylContact C-O 3.47Å; P335-V344 VanDerWaalsContact CA-O 3.23Å; P335-V344 WeakPolarHBondContact CA-O 3.4Å; P335-V344 VanDerWaalsContact CB-O 3.24Å; P335-V344 WeakPolarHBondContact CB-O 3.41Å; F336-V344 HydrophobicContact CE1-CG1 3.88Å; F336-V344 HydrophobicContact CE2-CB 4.41Å; F336-V344 HydrophobicContact CE2-CG1 4.18Å; F336-V344 HydrophobicContact CZ-CB 4.2Å; F336-V344 HydrophobicContact CZ-CG1 3.54Å; F336-V344 PolarHBondContact N-O 3.4Å; A337-V344 HydrophobicContact CB-CB 4.25Å; A337-V344 HydrophobicContact CB-CG2 4.4Å; A337-V344 PolarHBondContact N-O 3.01Å; A337-V344 PolarHBondContact O-N 2.92Å; A339-V344 HydrophobicContact CB-CG2 3.88Å; V344-A356 HydrophobicContact CG1-CB 3.96Å; V344-M357 WeakPolarHBondContact CA-O 3.26Å; V344-K358 HydrophobicContact CG2-CB 4.31Å
345	H	93.6	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146	179.9	-70.4	-101.2	0	0	0	111.6	M312 F331 E332 E333 F336 Q343 M357	M312-H345 PolarHBondContact SD-CE1 3.47Å; M312-H345 PolarHBondContact SD-NE2 2.82Å; F331-H345 HydrophobicContact CE1-CB 4.4Å; F331-H345 AromaticContact CE1-ND1 3.73Å; F331-H345 HydrophobicContact CE2-CB 3.88Å; F331-H345 HydrophobicContact CZ-CB 3.66Å; F331-H345 AromaticContact CZ-CG 3.58Å; F331-H345 AromaticContact CZ-ND1 3.63Å; E332-H345 PolarHBondContact O-ND1 3.32Å; E333-H345 PolarHBondContact O-CE1 3.36Å; F336-H345 VanDerWaalsContact CE1-C 3.49Å; Q343-H345 PolarHBondContact NE2-NE2 3.34Å; H345-M357 PolarHBondContact N-O 3.31Å; H345-M357 PolarHBondContact O-N 3.07Å
346	L	94.8	Very high	88.8	Confident	11 Å²	11	30.2 Å²	30.2	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.5	168.9	174.5	60.3	0	0	0	108.2	E332 F336 E354 L447	E332-L346 HydrophobicContact CB-CB 4.09Å; E332-L346 WeakPolarHBondContact CB-O 3.46Å; E332-L346 PolarHBondContact N-O 2.95Å; F336-L346 HydrophobicContact CD1-CB 3.82Å; F336-L346 VanDerWaalsContact CD1-N 3.33Å; F336-L346 HydrophobicContact CE1-CB 4.09Å; L346-E354 HydrophobicContact CD1-CB 4.35Å; L346-L447 HydrophobicContact CD1-CD1 4.11Å; L346-L447 HydrophobicContact CD1-CD2 3.72Å; L346-L447 HydrophobicContact CD1-CG 4.42Å
347	A	96.1	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.2	168.6	0	0	0	0	0	110.8	L328 Y330 F331 E354 V355 M357	L328-A347 HydrophobicContact CD1-CB 4.05Å; L328-A347 HydrophobicContact CD2-CB 4.14Å; Y330-A347 CarbonylContact O-C 3.55Å; Y330-A347 VanDerWaalsContact O-CA 3.32Å; Y330-A347 WeakPolarHBondContact O-CA 3.43Å; Y330-A347 WeakPolarHBondContact O-CB 3.32Å; F331-A347 HydrophobicContact CD2-CB 3.93Å; A347-E354 WeakPolarHBondContact O-CA 3.38Å; A347-V355 HydrophobicContact CB-CG2 3.83Å; A347-V355 PolarHBondContact N-O 2.87Å; A347-V355 PolarHBondContact O-N 3.43Å; A347-M357 HydrophobicContact CB-CG 4.18Å; A347-M357 HydrophobicContact CB-SD 3.78Å
348	R	96.8	Very high	90.2	Very high	87 Å²	87	29.4 Å²	29.4	33%	0.328	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.7	171.4	-161.6	177.6	-62.6	138.2	0.4	108.8	L328 E329 Y330 G352 R353 E354	L328-R348 CarbonylContact C-O 3.57Å; L328-R348 WeakPolarHBondContact CA-O 3.49Å; E329-R348 PolarHBondContact N-O 2.91Å; Y330-R348 PolarHBondContact N-O 2.93Å; Y330-R348 PolarHBondContact O-N 2.86Å; R348-G352 WeakPolarHBondContact CD-O 3.47Å; R348-G352 VanDerWaalsContact CG-C 3.45Å; R348-G352 VanDerWaalsContact CG-O 3.29Å; R348-G352 WeakPolarHBondContact CG-O 3.13Å; R348-R353 CarbonylContact C-O 3.47Å; R348-R353 VanDerWaalsContact CA-O 3.31Å; R348-R353 WeakPolarHBondContact CA-O 3.43Å; R348-E354 HydrophobicContact CG-CG 4.4Å; R348-E354 IonicContact CZ-OE1 3.97Å; R348-E354 IonicContact NE-OE1 3.6Å; R348-E354 PolarHBondContact NE-OE1 3.49Å; R348-E354 IonicContact NH2-OE1 3.26Å; R348-E354 PolarHBondContact NH2-OE1 2.68Å
349	M	95.6	Very high	91.1	Very high	21 Å²	21	27.3 Å²	27.3	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	161.6	175.8	-60.9	-175.5	76	0	0	111	L328 E329 G351 G352 R353 V355 V434 L437	L328-M349 HydrophobicContact CD2-CG 4.32Å; E329-M349 VanDerWaalsContact CD-O 3.31Å; M349-G351 PolarHBondContact O-N 3.4Å; M349-G352 PolarHBondContact O-N 2.93Å; M349-R353 HydrophobicContact CB-CB 4.38Å; M349-R353 PolarHBondContact N-O 2.97Å; M349-V355 HydrophobicContact CG-CG1 3.91Å; M349-V355 HydrophobicContact CG-CG2 4.22Å; M349-V355 HydrophobicContact SD-CG1 3.92Å; M349-V434 HydrophobicContact CE-CG1 3.65Å; M349-V434 HydrophobicContact SD-CG1 3.54Å; M349-V434 VanDerWaalsContact SD-CG1 3.54Å; M349-V434 HydrophobicContact SD-CG2 4.49Å; M349-L437 HydrophobicContact CE-CD1 4.23Å; M349-L437 HydrophobicContact CG-CD1 4.15Å; M349-L437 HydrophobicContact SD-CD1 4.42Å
350	K	90.6	Very high	92	Very high	129 Å²	129	26.9 Å²	26.9	56%	0.561	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	125.7	164.5	-72.2	179.5	176.8	171.8	0	109.9	D326 K327 L328 E329	D326-K350 WeakPolarHBondContact O-CD 3.43Å; D326-K350 WeakPolarHBondContact O-CE 3.35Å; D326-K350 PolarHBondContact O-NZ 3.1Å; K327-K350 PolarHBondContact O-N 3.41Å; L328-K350 WeakPolarHBondContact O-CE 3.47Å; E329-K350 HydrophobicContact CG-CG 4.19Å; E329-K350 WeakPolarHBondContact OE1-CA 3.29Å
351	G	86.5	Confident	92.5	Very high	76 Å²	76	26.5 Å²	26.5	78%	0.784	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.1	10	-166.2	0	0	0	0	0	114.1	E329 M349 R353	E329-G351 PolarHBondContact OE1-N 2.73Å; M349-G351 PolarHBondContact O-N 3.4Å; G351-R353 PolarHBondContact O-N 3.33Å
352	G	90.8	Very high	92.7	Very high	34 Å²	34	27.8 Å²	27.8	35%	0.351	16%	0.156	S	C	.	.	S	Bend	trans	81.5	-3.5	167.5	0	0	0	0	0	118	E329 R348 M349 E354	E329-G352 PolarHBondContact OE1-N 3Å; R348-G352 WeakPolarHBondContact CD-O 3.47Å; R348-G352 VanDerWaalsContact CG-C 3.45Å; R348-G352 VanDerWaalsContact CG-O 3.29Å; R348-G352 WeakPolarHBondContact CG-O 3.13Å; M349-G352 PolarHBondContact O-N 2.93Å; G352-E354 PolarHBondContact O-N 2.71Å
353	R	94	Very high	92.4	Very high	85 Å²	85	28.4 Å²	28.4	32%	0.321	16%	0.162	S	C	.	.			trans	-65.4	121.6	179.5	-170.9	-176	-165.6	160.6	10.8	111.4	R348 M349 G351 V355 E432 E446	R348-R353 CarbonylContact C-O 3.47Å; R348-R353 VanDerWaalsContact CA-O 3.31Å; R348-R353 WeakPolarHBondContact CA-O 3.43Å; M349-R353 HydrophobicContact CB-CB 4.38Å; M349-R353 PolarHBondContact N-O 2.97Å; G351-R353 PolarHBondContact O-N 3.33Å; R353-V355 HydrophobicContact CG-CG1 4.15Å; R353-E432 IonicContact CZ-OE2 2.68Å; R353-E432 IonicContact NH1-OE2 3.36Å; R353-E432 PolarHBondContact NH1-OE2 3.1Å; R353-E432 IonicContact NH2-OE2 2.67Å; R353-E432 PolarHBondContact NH2-OE2 3.49Å; R353-E446 IonicContact CZ-OE2 2.75Å; R353-E446 IonicContact NE-OE2 2.73Å; R353-E446 IonicContact NH2-OE2 3.21Å; R353-E446 PolarHBondContact NH2-OE2 2.94Å
354	E	96.3	Very high	92.1	Very high	49 Å²	49	28.6 Å²	28.6	23%	0.229	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	171.9	-54.9	-149.6	138.2	0	0	111	K194 L346 A347 R348 G352 L447	K194-E354 IonicContact NZ-OE2 2.7Å; K194-E354 PolarHBondContact NZ-OE2 2.77Å; K194-E354 VanDerWaalsContact NZ-OE2 3.17Å; L346-E354 HydrophobicContact CD1-CB 4.35Å; A347-E354 WeakPolarHBondContact O-CA 3.38Å; R348-E354 HydrophobicContact CG-CG 4.4Å; R348-E354 IonicContact CZ-OE1 3.97Å; R348-E354 IonicContact NE-OE1 3.6Å; R348-E354 PolarHBondContact NE-OE1 3.49Å; R348-E354 IonicContact NH2-OE1 3.26Å; R348-E354 PolarHBondContact NH2-OE1 2.68Å; G352-E354 PolarHBondContact O-N 2.71Å; E354-L447 HydrophobicContact CB-CB 4.06Å; E354-L447 HydrophobicContact CB-CD2 3.99Å; E354-L447 PolarHBondContact O-N 3.19Å; E354-L447 VanDerWaalsContact O-N 3.12Å
355	V	96.6	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151.3	-173.5	-60.1	0	0	0	0	111.2	A347 M349 R353 M357 V434 L437 T444 T445	A347-V355 HydrophobicContact CB-CG2 3.83Å; A347-V355 PolarHBondContact N-O 2.87Å; A347-V355 PolarHBondContact O-N 3.43Å; M349-V355 HydrophobicContact CG-CG1 3.91Å; M349-V355 HydrophobicContact CG-CG2 4.22Å; M349-V355 HydrophobicContact SD-CG1 3.92Å; R353-V355 HydrophobicContact CG-CG1 4.15Å; V355-M357 HydrophobicContact CG2-CG 4.37Å; V355-V434 HydrophobicContact CG1-CG2 3.96Å; V355-L437 HydrophobicContact CG2-CD1 4.48Å; V355-T444 HydrophobicContact CB-CG2 3.82Å; V355-T444 HydrophobicContact CG2-CG2 3.92Å; V355-T445 CarbonylContact C-O 3.53Å; V355-T445 VanDerWaalsContact CA-O 3.24Å; V355-T445 WeakPolarHBondContact CA-O 3.44Å; V355-T445 VanDerWaalsContact CB-O 3.23Å; V355-T445 WeakPolarHBondContact CB-O 3.34Å
356	A	96.1	Very high	91.1	Very high	11 Å²	11	35 Å²	35	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.3	175.5	0	0	0	0	0	109.8	F336 V344 T444 T445 L447	F336-A356 HydrophobicContact CE1-CB 4.44Å; F336-A356 HydrophobicContact CZ-CB 4.13Å; V344-A356 HydrophobicContact CG1-CB 3.96Å; A356-T444 WeakPolarHBondContact O-CA 3.45Å; A356-T445 PolarHBondContact N-O 3.03Å; A356-T445 PolarHBondContact O-N 3.46Å; A356-L447 HydrophobicContact CB-CD1 4.24Å
357	M	96.3	Very high	90.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	102.8	-179.5	-60.6	-172.5	71.7	0	0	110.6	L316 L320 L328 F331 V344 H345 A347 V355 I359 L437 V442 T444	L316-M357 HydrophobicContact CD2-CE 4.06Å; L320-M357 HydrophobicContact CD1-CE 4.08Å; L328-M357 HydrophobicContact CD1-SD 4.23Å; F331-M357 HydrophobicContact CD2-SD 3.93Å; F331-M357 HydrophobicContact CE2-SD 3.76Å; V344-M357 WeakPolarHBondContact CA-O 3.26Å; H345-M357 PolarHBondContact N-O 3.31Å; H345-M357 PolarHBondContact O-N 3.07Å; A347-M357 HydrophobicContact CB-CG 4.18Å; A347-M357 HydrophobicContact CB-SD 3.78Å; V355-M357 HydrophobicContact CG2-CG 4.37Å; M357-I359 HydrophobicContact CB-CG1 4.5Å; M357-L437 HydrophobicContact CE-CB 4.36Å; M357-L437 HydrophobicContact CE-CD2 4.28Å; M357-V442 HydrophobicContact CE-CG1 4.11Å; M357-T444 HydrophobicContact CG-CG2 3.81Å
358	K	94.9	Very high	89.7	Confident	22 Å²	22	35.3 Å²	35.3	10%	0.096	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.9	173.4	173.1	174.1	164.4	178.3	0	108.9	A339 V344 Y408 E411 V442 L443 D507	A339-K358 HydrophobicContact CB-CD 4.37Å; A339-K358 HydrophobicContact CB-CG 4.4Å; V344-K358 HydrophobicContact CG2-CB 4.31Å; K358-Y408 HydrophobicContact CG-CE2 4Å; K358-Y408 WeakPolarHBondContact O-CE2 3.48Å; K358-E411 IonicContact NZ-OE1 3.06Å; K358-E411 PolarHBondContact NZ-OE1 2.74Å; K358-E411 IonicContact NZ-OE2 3.94Å; K358-E411 PolarHBondContact NZ-OE2 3.08Å; K358-V442 WeakPolarHBondContact O-CA 3.24Å; K358-L443 WeakPolarHBondContact CA-O 3.27Å; K358-L443 HydrophobicContact CB-CB 4.36Å; K358-L443 WeakPolarHBondContact CB-O 3.39Å; K358-L443 PolarHBondContact N-O 2.87Å; K358-L443 PolarHBondContact O-N 3.23Å; K358-D507 IonicContact NZ-OD1 2.66Å; K358-D507 IonicContact NZ-OD2 3.32Å
359	I	94.4	Very high	88.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.8	-174.9	-54.7	171.7	0	0	0	109.6	M307 M312 T315 L316 F331 G342 Q343 M357 V442	M307-I359 HydrophobicContact CE-CG2 4.38Å; M312-I359 HydrophobicContact CG-CD1 3.71Å; M312-I359 HydrophobicContact SD-CD1 4.34Å; T315-I359 HydrophobicContact CG2-CG2 3.98Å; L316-I359 HydrophobicContact CD1-CD1 3.82Å; L316-I359 HydrophobicContact CD2-CD1 3.8Å; L316-I359 HydrophobicContact CD2-CG1 4.13Å; L316-I359 HydrophobicContact CG-CD1 3.96Å; F331-I359 HydrophobicContact CE2-CD1 4.46Å; F331-I359 HydrophobicContact CZ-CD1 4.11Å; G342-I359 CarbonylContact C-O 3.5Å; G342-I359 WeakPolarHBondContact CA-O 3.28Å; Q343-I359 PolarHBondContact N-O 2.77Å; Q343-I359 PolarHBondContact O-N 3.37Å; M357-I359 HydrophobicContact CB-CG1 4.5Å; I359-V442 HydrophobicContact CG1-CG1 4.35Å
360	Q	92.3	Very high	87.9	Confident	5 Å²	5	36 Å²	36	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	146.4	180	-155.6	-177.9	102.5	0	0	112.4	I341 V364 C406 Y408 H441	I341-Q360 HydrophobicContact CD1-CG 3.73Å; I341-Q360 HydrophobicContact CG1-CG 4.14Å; Q360-V364 HydrophobicContact CG-CG2 3.75Å; Q360-V364 VanDerWaalsContact OE1-CG2 3.3Å; Q360-C406 PolarHBondContact NE2-O 2.99Å; Q360-Y408 HydrophobicContact CB-CE2 3.85Å; Q360-Y408 HydrophobicContact CG-CE2 4.48Å; Q360-H441 HydrophobicContact CB-CB 4.03Å; Q360-H441 WeakPolarHBondContact CB-O 3.28Å; Q360-H441 PolarHBondContact N-O 2.91Å
361	Y	88.6	Confident	87.2	Confident	2 Å²	2	30 Å²	30	1%	0.008	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-72.4	133.4	173.1	-64.8	-50.1	0	0	0	110.9	V206 R271 M307 I341 G342 Q343 G363 V364	V206-Y361 HydrophobicContact CG2-CD1 3.72Å; V206-Y361 HydrophobicContact CG2-CE1 4.46Å; V206-Y361 HydrophobicContact CG2-CG 4.1Å; R271-Y361 HydrophobicContact CB-CD2 4.12Å; R271-Y361 HydrophobicContact CB-CE2 4.01Å; R271-Y361 HydrophobicContact CG-CE2 4.3Å; M307-Y361 HydrophobicContact CB-CD1 3.83Å; M307-Y361 HydrophobicContact CB-CE1 3.74Å; M307-Y361 HydrophobicContact CE-CD1 3.93Å; M307-Y361 HydrophobicContact CE-CE1 4.45Å; M307-Y361 HydrophobicContact SD-CD1 4.04Å; I341-Y361 WeakPolarHBondContact O-CB 3.32Å; I341-Y361 WeakPolarHBondContact O-CD2 3.29Å; I341-Y361 PolarHBondContact O-N 3.37Å; G342-Y361 WeakPolarHBondContact O-CE2 3.29Å; G342-Y361 VanDerWaalsContact O-CZ 3.3Å; G342-Y361 PolarHBondContact O-OH 2.96Å; G342-Y361 VanDerWaalsContact O-OH 3.08Å; Q343-Y361 HydrophobicContact CB-CE1 4.24Å; Q343-Y361 HydrophobicContact CG-CE1 4.29Å; Y361-G363 PolarHBondContact O-N 2.9Å; Y361-V364 WeakPolarHBondContact O-CG1 3.39Å; Y361-V364 WeakPolarHBondContact O-CG2 3.36Å
362	P	85.8	Confident	86.8	Confident	31 Å²	31	26.3 Å²	26.3	20%	0.201	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	130.3	-175.7	26	-34.5	0	0	0	112.1	V206 V208 M307 Q311	V206-P362 HydrophobicContact CB-CG 4.45Å; V208-P362 HydrophobicContact CG1-CB 4.45Å; V208-P362 HydrophobicContact CG2-CB 4.4Å; V208-P362 HydrophobicContact CG2-CG 4.16Å; M307-P362 WeakPolarHBondContact SD-CD 3.28Å; M307-P362 HydrophobicContact SD-CG 3.95Å; Q311-P362 HydrophobicContact CB-CG 4.33Å
363	G	80.9	Confident	86.2	Confident	13 Å²	13	28.4 Å²	28.4	13%	0.134	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	4.9	174.8	0	0	0	0	0	115.7	Y361 Q366 S367	Y361-G363 PolarHBondContact O-N 2.9Å; G363-Q366 VanDerWaalsContact C-OE1 3.26Å; G363-S367 WeakPolarHBondContact O-CB 3.41Å; G363-S367 PolarHBondContact O-N 3.24Å; G363-S367 PolarHBondContact O-OG 3.04Å
364	V	81.7	Confident	85.3	Confident	6 Å²	6	25.7 Å²	25.7	4%	0.036	15%	0.146	C	C	.	.	S	Bend	trans	-68.5	-49.5	-176.9	-67.9	0	0	0	0	112.8	I341 Q360 Y361 Q366 S367 I368	I341-V364 HydrophobicContact CB-CG2 4.28Å; I341-V364 HydrophobicContact CD1-CG2 4.45Å; Q360-V364 HydrophobicContact CG-CG2 3.75Å; Q360-V364 VanDerWaalsContact OE1-CG2 3.3Å; Y361-V364 WeakPolarHBondContact O-CG1 3.39Å; Y361-V364 WeakPolarHBondContact O-CG2 3.36Å; V364-Q366 PolarHBondContact O-N 3.19Å; V364-S367 PolarHBondContact O-N 3.08Å; V364-S367 PolarHBondContact O-OG 3.25Å; V364-S367 VanDerWaalsContact O-OG 3.08Å; V364-I368 WeakPolarHBondContact O-CG1 3.2Å; V364-I368 PolarHBondContact O-N 3.06Å
365	A	81.7	Confident	84.2	Confident	43 Å²	43	23.5 Å²	23.5	36%	0.355	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.9	179.2	0	0	0	0	0	112	S367 C406	A365-S367 VanDerWaalsContact C-N 3.26Å; A365-S367 PolarHBondContact O-N 3.39Å; A365-C406 HydrophobicContact CB-CB 4.16Å
366	Q	82.5	Confident	83.1	Confident	110 Å²	110	23.7 Å²	23.7	51%	0.514	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.4	179.3	-56.7	78.9	12.3	0	0	113.5	R210 G363 V364	R210-Q366 PolarHBondContact NE-O 2.94Å; R210-Q366 PolarHBondContact NH2-O 3.1Å; G363-Q366 VanDerWaalsContact C-OE1 3.26Å; V364-Q366 PolarHBondContact O-N 3.19Å
367	S	78.8	Confident	82.1	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.021	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-10.7	-176.9	76.5	0	0	0	0	115.7	R213 G363 V364 A365 N369 S370 D371	R213-S367 WeakPolarHBondContact CD-OG 3.24Å; R213-S367 PolarHBondContact NE-OG 3.18Å; R213-S367 PolarHBondContact NH1-OG 3.47Å; G363-S367 WeakPolarHBondContact O-CB 3.41Å; G363-S367 PolarHBondContact O-N 3.24Å; G363-S367 PolarHBondContact O-OG 3.04Å; V364-S367 PolarHBondContact O-N 3.08Å; V364-S367 PolarHBondContact O-OG 3.25Å; V364-S367 VanDerWaalsContact O-OG 3.08Å; A365-S367 VanDerWaalsContact C-N 3.26Å; A365-S367 PolarHBondContact O-N 3.39Å; S367-N369 VanDerWaalsContact C-N 3.33Å; S367-N369 PolarHBondContact O-N 3.16Å; S367-S370 WeakPolarHBondContact O-CA 3.47Å; S367-S370 PolarHBondContact O-N 3.25Å; S367-S370 PolarHBondContact O-OG 3.47Å; S367-D371 VanDerWaalsContact CB-OD2 3.24Å; S367-D371 WeakPolarHBondContact CB-OD2 3.39Å; S367-D371 PolarHBondContact O-N 2.8Å; S367-D371 PolarHBondContact OG-OD2 2.95Å
368	I	81.6	Confident	80.9	Confident	15 Å²	15	26.3 Å²	26.3	8%	0.077	16%	0.157	C	C	.	.	H	α-helix	trans	-40.1	-58.7	-179.3	-60.6	174.6	0	0	0	111.5	V364 S370 D371 V372 R399 L402 A403	V364-I368 WeakPolarHBondContact O-CG1 3.2Å; V364-I368 PolarHBondContact O-N 3.06Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.7Å; I368-D371 PolarHBondContact O-N 3.04Å; I368-D371 VanDerWaalsContact O-N 3.15Å; I368-V372 HydrophobicContact CG2-CG2 4.22Å; I368-V372 WeakPolarHBondContact O-CB 3.44Å; I368-V372 WeakPolarHBondContact O-CG2 3.06Å; I368-V372 PolarHBondContact O-N 2.84Å; I368-R399 HydrophobicContact CG2-CB 4.43Å; I368-R399 HydrophobicContact CG2-CG 4.39Å; I368-L402 HydrophobicContact CD1-CB 4.12Å; I368-L402 HydrophobicContact CG1-CB 4.33Å; I368-L402 HydrophobicContact CG2-CB 3.83Å; I368-L402 HydrophobicContact CG2-CD1 4.04Å; I368-A403 HydrophobicContact CD1-CB 4.11Å
369	N	77.6	Confident	79.6	Confident	93 Å²	93	25.5 Å²	25.5	50%	0.497	15%	0.153	S	C	.	.	H	α-helix	trans	-59.7	-40	-176.7	-66.6	-8.6	0	0	0	112.9	S367 N373	S367-N369 VanDerWaalsContact C-N 3.33Å; S367-N369 PolarHBondContact O-N 3.16Å; N369-N373 WeakPolarHBondContact O-CB 3.29Å; N369-N373 PolarHBondContact O-N 3.47Å; N369-N373 PolarHBondContact O-ND2 3.21Å; N369-N373 PolarHBondContact O-OD1 2.82Å; N369-N373 VanDerWaalsContact O-OD1 3.11Å
370	S	77.3	Confident	78.4	Confident	28 Å²	28	29.8 Å²	29.8	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-72.1	-37.5	176.7	43.9	0	0	0	0	112.7	S367 I368 N374	S367-S370 WeakPolarHBondContact O-CA 3.47Å; S367-S370 PolarHBondContact O-N 3.25Å; S367-S370 PolarHBondContact O-OG 3.47Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.7Å; S370-N374 WeakPolarHBondContact O-CB 3.34Å; S370-N374 PolarHBondContact O-N 3.22Å; S370-N374 PolarHBondContact O-ND2 3.22Å
371	D	77.4	Confident	77.2	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-75.5	-39.4	-177.6	-66.5	-34.2	0	0	0	111.8	R213 A273 S367 I368 N374 L375	R213-D371 WeakPolarHBondContact CD-OD1 3.4Å; R213-D371 WeakPolarHBondContact CD-OD2 3.45Å; R213-D371 IonicContact CZ-OD2 3.3Å; R213-D371 IonicContact NE-OD2 3.41Å; R213-D371 IonicContact NH1-OD1 3.37Å; R213-D371 IonicContact NH1-OD2 2.77Å; R213-D371 PolarHBondContact NH1-OD2 3.35Å; A273-D371 HydrophobicContact CB-CB 3.97Å; S367-D371 VanDerWaalsContact CB-OD2 3.24Å; S367-D371 WeakPolarHBondContact CB-OD2 3.39Å; S367-D371 PolarHBondContact O-N 2.8Å; S367-D371 PolarHBondContact OG-OD2 2.95Å; I368-D371 PolarHBondContact O-N 3.04Å; I368-D371 VanDerWaalsContact O-N 3.15Å; D371-N374 PolarHBondContact O-N 3.45Å; D371-L375 WeakPolarHBondContact O-CB 3.4Å; D371-L375 PolarHBondContact O-N 3.24Å
372	V	77.7	Confident	75.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-48.2	171.1	170.2	0	0	0	0	110.8	A273 I368 N374 L375 M376 I395 L398 R399 L402	A273-V372 HydrophobicContact CB-CG2 4.21Å; I368-V372 HydrophobicContact CG2-CG2 4.22Å; I368-V372 WeakPolarHBondContact O-CB 3.44Å; I368-V372 WeakPolarHBondContact O-CG2 3.06Å; I368-V372 PolarHBondContact O-N 2.84Å; V372-N374 PolarHBondContact O-N 2.8Å; V372-L375 PolarHBondContact O-N 3.16Å; V372-M376 WeakPolarHBondContact O-CG 3.38Å; V372-M376 PolarHBondContact O-N 3.05Å; V372-I395 HydrophobicContact CG1-CB 4.29Å; V372-I395 HydrophobicContact CG1-CG1 4.01Å; V372-I395 HydrophobicContact CG1-CG2 3.97Å; V372-L398 HydrophobicContact CG1-CD2 4.03Å; V372-L398 HydrophobicContact CG2-CD2 3.87Å; V372-L398 HydrophobicContact CG2-CG 3.99Å; V372-R399 HydrophobicContact CB-CG 4.37Å; V372-R399 HydrophobicContact CG1-CG 4.22Å; V372-R399 HydrophobicContact CG2-CG 4.29Å; V372-L402 HydrophobicContact CG2-CD1 3.69Å
373	N	77.3	Confident	74.8	Confident	77 Å²	77	38.7 Å²	38.7	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-44.9	179.3	-70.7	7.1	0	0	0	111.9	N369 A377 R399	N369-N373 WeakPolarHBondContact O-CB 3.29Å; N369-N373 PolarHBondContact O-N 3.47Å; N369-N373 PolarHBondContact O-ND2 3.21Å; N369-N373 PolarHBondContact O-OD1 2.82Å; N369-N373 VanDerWaalsContact O-OD1 3.11Å; N373-A377 WeakPolarHBondContact O-CB 3.34Å; N373-A377 PolarHBondContact O-N 2.85Å; N373-R399 PolarHBondContact OD1-NH2 3.26Å
374	N	75.8	Confident	73.9	Confident	29 Å²	29	38.7 Å²	38.7	16%	0.155	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-38.3	178.5	-70.4	-33.1	0	0	0	112.5	F217 S370 D371 V372 A377 V378	F217-N374 HydrophobicContact CB-CB 4Å; F217-N374 HydrophobicContact CD1-CB 3.68Å; F217-N374 HydrophobicContact CD2-CB 3.39Å; F217-N374 WeakPolarHBondContact CD2-ND2 3.13Å; F217-N374 HydrophobicContact CE1-CB 3.83Å; F217-N374 HydrophobicContact CE2-CB 3.54Å; F217-N374 HydrophobicContact CG-CB 3.44Å; F217-N374 VanDerWaalsContact CG-CB 3.44Å; F217-N374 HydrophobicContact CZ-CB 3.74Å; S370-N374 WeakPolarHBondContact O-CB 3.34Å; S370-N374 PolarHBondContact O-N 3.22Å; S370-N374 PolarHBondContact O-ND2 3.22Å; D371-N374 PolarHBondContact O-N 3.45Å; V372-N374 PolarHBondContact O-N 2.8Å; N374-A377 PolarHBondContact O-N 3.39Å; N374-V378 WeakPolarHBondContact O-CG2 3.33Å; N374-V378 PolarHBondContact O-N 2.93Å; N374-V378 VanDerWaalsContact O-N 3.11Å
375	L	73.9	Confident	73	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-44.6	177.1	178.4	54.7	0	0	0	111.3	F217 L267 A273 L277 D371 V372 V378 L379	F217-L375 HydrophobicContact CE1-CB 4.47Å; L267-L375 HydrophobicContact CD2-CD1 3.5Å; A273-L375 HydrophobicContact CB-CD2 4.49Å; L277-L375 HydrophobicContact CB-CD2 4.05Å; L277-L375 HydrophobicContact CD2-CD1 4.45Å; L277-L375 HydrophobicContact CD2-CD2 3.58Å; L277-L375 HydrophobicContact CD2-CG 3.89Å; L277-L375 HydrophobicContact CG-CD2 4.47Å; D371-L375 WeakPolarHBondContact O-CB 3.4Å; D371-L375 PolarHBondContact O-N 3.24Å; V372-L375 PolarHBondContact O-N 3.16Å; L375-V378 WeakPolarHBondContact O-CB 3.5Å; L375-V378 PolarHBondContact O-N 2.99Å; L375-L379 HydrophobicContact CD1-CD1 4.04Å; L375-L379 HydrophobicContact CD1-CG 4.37Å; L375-L379 HydrophobicContact CG-CD1 4.05Å; L375-L379 WeakPolarHBondContact O-CG 3.24Å; L375-L379 PolarHBondContact O-N 3.13Å
376	M	73.5	Confident	71.7	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-34.8	177.3	-66.6	-63.6	-67.9	0	0	112.6	V372 V378 L379 N380 L385 P391 I395	V372-M376 WeakPolarHBondContact O-CG 3.38Å; V372-M376 PolarHBondContact O-N 3.05Å; M376-V378 VanDerWaalsContact C-N 3.29Å; M376-V378 PolarHBondContact O-N 2.87Å; M376-L379 PolarHBondContact O-N 3.31Å; M376-L379 HydrophobicContact SD-CD1 4.14Å; M376-N380 WeakPolarHBondContact O-CB 3.4Å; M376-N380 VanDerWaalsContact O-CG 3.24Å; M376-N380 PolarHBondContact O-N 3.23Å; M376-L385 HydrophobicContact CE-CD1 3.68Å; M376-L385 HydrophobicContact SD-CD1 4.5Å; M376-P391 HydrophobicContact CE-CB 3.81Å; M376-I395 HydrophobicContact CB-CD1 4.07Å; M376-I395 HydrophobicContact CB-CG1 4.36Å; M376-I395 HydrophobicContact CE-CD1 4.35Å; M376-I395 HydrophobicContact CE-CG1 4.22Å; M376-I395 HydrophobicContact CG-CD1 3.89Å; M376-I395 HydrophobicContact CG-CG1 3.61Å; M376-I395 HydrophobicContact SD-CG1 4.47Å
377	A	74	Confident	70.2	Confident	54 Å²	54	43 Å²	43	45%	0.446	23%	0.234	S	C	.	.	H	α-helix	trans	-60.2	-38.7	171.2	0	0	0	0	0	112.2	N373 N374 M381	N373-A377 WeakPolarHBondContact O-CB 3.34Å; N373-A377 PolarHBondContact O-N 2.85Å; N374-A377 PolarHBondContact O-N 3.39Å; A377-M381 VanDerWaalsContact O-CB 3.26Å; A377-M381 WeakPolarHBondContact O-CB 3.46Å; A377-M381 PolarHBondContact O-N 3.29Å; A377-M381 VanDerWaalsContact O-N 3.13Å
378	V	70.4	Confident	69.1	Low	11 Å²	11	44.5 Å²	44.5	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-46.5	174.2	169.4	0	0	0	0	111.7	F217 L220 L224 N374 L375 M376 M381 S382	F217-V378 HydrophobicContact CD1-CG2 4.14Å; L220-V378 HydrophobicContact CD2-CG1 3.8Å; L220-V378 HydrophobicContact CD2-CG2 3.92Å; L224-V378 HydrophobicContact CD1-CG1 4.46Å; N374-V378 WeakPolarHBondContact O-CG2 3.33Å; N374-V378 PolarHBondContact O-N 2.93Å; N374-V378 VanDerWaalsContact O-N 3.11Å; L375-V378 WeakPolarHBondContact O-CB 3.5Å; L375-V378 PolarHBondContact O-N 2.99Å; M376-V378 VanDerWaalsContact C-N 3.29Å; M376-V378 PolarHBondContact O-N 2.87Å; V378-M381 PolarHBondContact O-N 2.99Å; V378-S382 PolarHBondContact O-N 2.82Å; V378-S382 PolarHBondContact O-OG 3.05Å
379	L	69.5	Low	67.9	Low	5 Å²	5	45.3 Å²	45.3	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-35.5	-177.1	-70.3	168.4	0	0	0	113.1	L277 L293 L375 M376 S382 N383 M384 L385	L277-L379 HydrophobicContact CD2-CD1 3.5Å; L277-L379 VanDerWaalsContact CD2-CD1 3.5Å; L293-L379 HydrophobicContact CD1-CD2 4.47Å; L375-L379 HydrophobicContact CD1-CD1 4.04Å; L375-L379 HydrophobicContact CD1-CG 4.37Å; L375-L379 HydrophobicContact CG-CD1 4.05Å; L375-L379 WeakPolarHBondContact O-CG 3.24Å; L375-L379 PolarHBondContact O-N 3.13Å; M376-L379 PolarHBondContact O-N 3.31Å; M376-L379 HydrophobicContact SD-CD1 4.14Å; L379-S382 PolarHBondContact O-OG 2.99Å; L379-S382 VanDerWaalsContact O-OG 3.12Å; L379-N383 PolarHBondContact O-N 2.63Å; L379-M384 PolarHBondContact O-N 3.32Å; L379-L385 HydrophobicContact CB-CD1 4.12Å; L379-L385 HydrophobicContact CB-CD2 4.37Å; L379-L385 HydrophobicContact CB-CG 4.03Å; L379-L385 HydrophobicContact CD1-CD2 4.46Å
380	N	69	Low	67	Low	91 Å²	91	45.4 Å²	45.4	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-48.9	169.3	-72.7	-5.5	0	0	0	110.7	M376 S382 N383 L385	M376-N380 WeakPolarHBondContact O-CB 3.4Å; M376-N380 VanDerWaalsContact O-CG 3.24Å; M376-N380 PolarHBondContact O-N 3.23Å; N380-S382 VanDerWaalsContact C-N 3.29Å; N380-S382 PolarHBondContact O-N 3.33Å; N380-N383 PolarHBondContact O-N 3.11Å; N380-N383 VanDerWaalsContact O-N 3.09Å; N380-L385 WeakPolarHBondContact OD1-CD1 3.41Å
381	M	65.4	Low	66.2	Low	98 Å²	98	46.1 Å²	46.1	48%	0.483	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-31.2	-178.3	-175.3	-178.1	-64.2	0	0	113.3	A221 A377 V378 N383	A221-M381 HydrophobicContact CB-SD 4.45Å; A377-M381 VanDerWaalsContact O-CB 3.26Å; A377-M381 WeakPolarHBondContact O-CB 3.46Å; A377-M381 PolarHBondContact O-N 3.29Å; A377-M381 VanDerWaalsContact O-N 3.13Å; V378-M381 PolarHBondContact O-N 2.99Å; M381-N383 VanDerWaalsContact C-N 3.31Å
382	S	62.9	Low	65.6	Low	2 Å²	2	53.2 Å²	53.2	1%	0.014	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.5	176.6	62.7	0	0	0	0	114	V378 L379 N380 M384	V378-S382 PolarHBondContact O-N 2.82Å; V378-S382 PolarHBondContact O-OG 3.05Å; L379-S382 PolarHBondContact O-OG 2.99Å; L379-S382 VanDerWaalsContact O-OG 3.12Å; N380-S382 VanDerWaalsContact C-N 3.29Å; N380-S382 PolarHBondContact O-N 3.33Å; S382-M384 PolarHBondContact O-N 3.25Å; S382-M384 WeakPolarHBondContact OG-CB 3.35Å; S382-M384 WeakPolarHBondContact OG-CG 3.36Å; S382-M384 PolarHBondContact OG-SD 3.46Å
383	N	62.8	Low	64.9	Low	125 Å²	125	57.6 Å²	57.6	67%	0.668	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40.6	-173.2	-155.8	93.3	0	0	0	112.5	L379 N380 M381	L379-N383 PolarHBondContact O-N 2.63Å; N380-N383 PolarHBondContact O-N 3.11Å; N380-N383 VanDerWaalsContact O-N 3.09Å; M381-N383 VanDerWaalsContact C-N 3.31Å
384	M	61.2	Low	64.3	Low	12 Å²	12	55.5 Å²	55.5	6%	0.059	30%	0.297	C	S	.	.			trans	-101.3	-5.1	-175.9	-65.6	176.4	103.8	0	0	114.3	L255 I263 L293 I296 L379 S382	L255-M384 HydrophobicContact CD1-CG 4.18Å; L255-M384 HydrophobicContact CD2-CE 3.8Å; L255-M384 HydrophobicContact CD2-CG 3.65Å; L255-M384 HydrophobicContact CD2-SD 3.62Å; I263-M384 HydrophobicContact CD1-SD 4.3Å; L293-M384 HydrophobicContact CB-CE 3.87Å; L293-M384 HydrophobicContact CD1-CE 3.92Å; L293-M384 HydrophobicContact CD1-SD 4.24Å; L293-M384 HydrophobicContact CD2-CB 4.1Å; L293-M384 HydrophobicContact CG-CE 4.39Å; I296-M384 HydrophobicContact CD1-CE 3.88Å; L379-M384 PolarHBondContact O-N 3.32Å; S382-M384 PolarHBondContact O-N 3.25Å; S382-M384 WeakPolarHBondContact OG-CB 3.35Å; S382-M384 WeakPolarHBondContact OG-CG 3.36Å; S382-M384 PolarHBondContact OG-SD 3.46Å
385	L	62.7	Low	64	Low	29 Å²	29	55.3 Å²	55.3	15%	0.152	30%	0.295	C	S	.	.	S	Bend	trans	-85.7	132.4	172.8	-67.1	174.1	0	0	0	110.1	M376 L379 N380 L389	M376-L385 HydrophobicContact CE-CD1 3.68Å; M376-L385 HydrophobicContact SD-CD1 4.5Å; L379-L385 HydrophobicContact CB-CD1 4.12Å; L379-L385 HydrophobicContact CB-CD2 4.37Å; L379-L385 HydrophobicContact CB-CG 4.03Å; L379-L385 HydrophobicContact CD1-CD2 4.46Å; N380-L385 WeakPolarHBondContact OD1-CD1 3.41Å; L385-L389 HydrophobicContact CB-CD1 4.4Å; L385-L389 HydrophobicContact CD2-CD1 4.19Å
386	P	54	Low	64	Low	42 Å²	42	58.4 Å²	58.4	27%	0.273	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-51.6	136.9	170.1	-31.2	35.4	0	0	0	114	F288 G388 L389	F288-P386 HydrophobicContact CE1-CG 4.45Å; F288-P386 HydrophobicContact CE2-CB 4.36Å; F288-P386 HydrophobicContact CE2-CG 4.08Å; F288-P386 HydrophobicContact CZ-CB 4.47Å; F288-P386 HydrophobicContact CZ-CG 4Å; P386-G388 PolarHBondContact O-N 3.37Å; P386-L389 HydrophobicContact CB-CD1 4.31Å; P386-L389 HydrophobicContact CB-CG 4.45Å; P386-L389 HydrophobicContact CG-CD1 4.27Å; P386-L389 PolarHBondContact O-N 3.01Å
387	E	52.6	Low	63.9	Low	179 Å²	179	59.1 Å²	59.1	84%	0.836	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	135.5	171.4	-66.2	-175.4	-179.3	0	0	110.6
388	G	54.3	Low	63.8	Low	34 Å²	34	56.6 Å²	56.6	35%	0.351	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-3.2	-176.3	0	0	0	0	0	115.2	P386 F390	P386-G388 PolarHBondContact O-N 3.37Å; G388-F390 PolarHBondContact O-N 2.93Å
389	L	57.8	Low	64.2	Low	32 Å²	32	59.1 Å²	59.1	17%	0.168	30%	0.304	C	S	.	.			trans	-68.9	121.3	160.7	-82.6	176.3	0	0	0	110	F288 L385 P386 P391 L595	F288-L389 HydrophobicContact CZ-CD1 4.2Å; F288-L389 HydrophobicContact CZ-CD2 4.2Å; F288-L389 HydrophobicContact CZ-CG 4.34Å; L385-L389 HydrophobicContact CB-CD1 4.4Å; L385-L389 HydrophobicContact CD2-CD1 4.19Å; P386-L389 HydrophobicContact CB-CD1 4.31Å; P386-L389 HydrophobicContact CB-CG 4.45Å; P386-L389 HydrophobicContact CG-CD1 4.27Å; P386-L389 PolarHBondContact O-N 3.01Å; L389-P391 WeakPolarHBondContact O-CD 3.33Å; L389-P391 WeakPolarHBondContact O-CG 3.43Å; L389-L595 HydrophobicContact CD2-CD1 4.28Å; L389-L595 HydrophobicContact CD2-CD2 4.37Å
390	F	58.5	Low	64.8	Low	96 Å²	96	65.4 Å²	65.4	42%	0.421	33%	0.327	S	S	.	.			trans	-72.9	101	168.5	-62.2	-89.5	0	0	0	109.4	G388 E392 L394	G388-F390 PolarHBondContact O-N 2.93Å; F390-E392 VanDerWaalsContact C-N 3.31Å; F390-E392 PolarHBondContact O-N 3.33Å; F390-L394 PolarHBondContact O-N 3.06Å
391	P	60.6	Low	65.2	Low	43 Å²	43	61.2 Å²	61.2	28%	0.279	30%	0.304	S	S	.	.	H	α-helix	trans	-71.8	-30.8	-165.8	-16.6	33.2	0	0	0	111.8	M376 L389 L394 I395	M376-P391 HydrophobicContact CE-CB 3.81Å; L389-P391 WeakPolarHBondContact O-CD 3.33Å; L389-P391 WeakPolarHBondContact O-CG 3.43Å; P391-L394 PolarHBondContact O-N 3.18Å; P391-I395 WeakPolarHBondContact O-CB 3.43Å; P391-I395 WeakPolarHBondContact O-CD1 3.07Å; P391-I395 WeakPolarHBondContact O-CG1 3.27Å; P391-I395 PolarHBondContact O-N 2.98Å
392	E	63.3	Low	65.9	Low	151 Å²	151	56.6 Å²	56.6	71%	0.706	28%	0.282	S	S	*	.	H	α-helix	trans	-69.6	-43	-176.2	-61.4	178	-136.8	0	0	112	F390 I395 D396	F390-E392 VanDerWaalsContact C-N 3.31Å; F390-E392 PolarHBondContact O-N 3.33Å; E392-I395 WeakPolarHBondContact O-CB 3.15Å; E392-I395 PolarHBondContact O-N 3.49Å; E392-D396 PolarHBondContact O-N 3.49Å
393	H	63.3	Low	66.9	Low	92 Å²	92	59 Å²	59	43%	0.426	30%	0.301	S	S	.	.	H	α-helix	trans	-69.5	-37.4	173.9	-62.7	-39.3	0	0	0	112.3	I395 D396 V397	H393-I395 VanDerWaalsContact C-N 3.3Å; H393-I395 PolarHBondContact O-N 3.44Å; H393-D396 PolarHBondContact O-N 3.01Å; H393-V397 WeakPolarHBondContact O-CG2 3.3Å; H393-V397 PolarHBondContact O-N 3.31Å; H393-V397 VanDerWaalsContact O-N 3.11Å
394	L	64.2	Low	67.9	Low	34 Å²	34	55.2 Å²	55.2	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-37.8	174.1	-178.5	60.9	0	0	0	111.7	F390 P391 L398	F390-L394 PolarHBondContact O-N 3.06Å; P391-L394 PolarHBondContact O-N 3.18Å; L394-L398 WeakPolarHBondContact O-CB 3.48Å; L394-L398 PolarHBondContact O-N 2.95Å
395	I	70.3	Confident	69	Low	25 Å²	25	55 Å²	55	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-48	173.9	-82	163.3	0	0	0	111.5	V372 M376 P391 E392 H393 L398 R399	V372-I395 HydrophobicContact CG1-CB 4.29Å; V372-I395 HydrophobicContact CG1-CG1 4.01Å; V372-I395 HydrophobicContact CG1-CG2 3.97Å; M376-I395 HydrophobicContact CB-CD1 4.07Å; M376-I395 HydrophobicContact CB-CG1 4.36Å; M376-I395 HydrophobicContact CE-CD1 4.35Å; M376-I395 HydrophobicContact CE-CG1 4.22Å; M376-I395 HydrophobicContact CG-CD1 3.89Å; M376-I395 HydrophobicContact CG-CG1 3.61Å; M376-I395 HydrophobicContact SD-CG1 4.47Å; P391-I395 WeakPolarHBondContact O-CB 3.43Å; P391-I395 WeakPolarHBondContact O-CD1 3.07Å; P391-I395 WeakPolarHBondContact O-CG1 3.27Å; P391-I395 PolarHBondContact O-N 2.98Å; E392-I395 WeakPolarHBondContact O-CB 3.15Å; E392-I395 PolarHBondContact O-N 3.49Å; H393-I395 VanDerWaalsContact C-N 3.3Å; H393-I395 PolarHBondContact O-N 3.44Å; I395-L398 PolarHBondContact O-N 3.41Å; I395-R399 HydrophobicContact CG2-CG 4.49Å; I395-R399 VanDerWaalsContact CG2-NE 3.33Å; I395-R399 WeakPolarHBondContact O-CB 3.21Å; I395-R399 VanDerWaalsContact O-CG 3.25Å; I395-R399 WeakPolarHBondContact O-CG 3.27Å; I395-R399 PolarHBondContact O-N 2.96Å
396	D	74	Confident	70.2	Confident	67 Å²	67	54.4 Å²	54.4	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-73.3	-36.1	-176.4	-79	-25.8	0	0	0	113.1	E392 H393 R399 R400	E392-D396 PolarHBondContact O-N 3.49Å; H393-D396 PolarHBondContact O-N 3.01Å; D396-R399 PolarHBondContact O-N 3.01Å; D396-R399 WeakPolarHBondContact OD1-CD 3.08Å; D396-R399 IonicContact OD1-CZ 3.6Å; D396-R399 IonicContact OD1-NE 3.46Å; D396-R399 IonicContact OD1-NH1 2.78Å; D396-R399 PolarHBondContact OD1-NH1 2.97Å; D396-R400 WeakPolarHBondContact O-CB 3.48Å; D396-R400 VanDerWaalsContact O-CG 3.26Å; D396-R400 WeakPolarHBondContact O-CG 3.42Å; D396-R400 PolarHBondContact O-N 2.71Å
397	V	71	Confident	72	Confident	20 Å²	20	55.5 Å²	55.5	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-46.3	169.8	175	0	0	0	0	110.6	H393 R399 R400 E401	H393-V397 WeakPolarHBondContact O-CG2 3.3Å; H393-V397 PolarHBondContact O-N 3.31Å; H393-V397 VanDerWaalsContact O-N 3.11Å; V397-R399 PolarHBondContact O-N 2.87Å; V397-R400 PolarHBondContact O-N 3.14Å; V397-E401 HydrophobicContact CG1-CG 4.27Å; V397-E401 WeakPolarHBondContact O-CG 3.34Å; V397-E401 PolarHBondContact O-N 3.2Å
398	L	73	Confident	74	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-40.7	178	179.3	64.6	0	0	0	112.3	L277 M280 V372 L394 I395 L402	L277-L398 HydrophobicContact CB-CD1 4.28Å; L277-L398 HydrophobicContact CB-CD2 4.29Å; L277-L398 HydrophobicContact CD1-CD2 4.18Å; M280-L398 HydrophobicContact CE-CD1 4.49Å; M280-L398 HydrophobicContact SD-CD1 3.62Å; V372-L398 HydrophobicContact CG1-CD2 4.03Å; V372-L398 HydrophobicContact CG2-CD2 3.87Å; V372-L398 HydrophobicContact CG2-CG 3.99Å; L394-L398 WeakPolarHBondContact O-CB 3.48Å; L394-L398 PolarHBondContact O-N 2.95Å; I395-L398 PolarHBondContact O-N 3.41Å; L398-L402 HydrophobicContact CD1-CD1 3.9Å; L398-L402 HydrophobicContact CD1-CG 4.26Å; L398-L402 HydrophobicContact CG-CD1 3.87Å; L398-L402 VanDerWaalsContact O-CB 3.29Å; L398-L402 WeakPolarHBondContact O-CB 3.33Å; L398-L402 WeakPolarHBondContact O-CD1 3.47Å; L398-L402 VanDerWaalsContact O-CG 3.32Å; L398-L402 WeakPolarHBondContact O-CG 3.3Å; L398-L402 PolarHBondContact O-N 3.35Å
399	R	79.1	Confident	75.9	Confident	64 Å²	64	51 Å²	51	24%	0.242	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-44.5	173.9	-74.8	167.6	-178.2	164.3	-0.4	111.6	I368 V372 N373 I395 D396 V397 A403	I368-R399 HydrophobicContact CG2-CB 4.43Å; I368-R399 HydrophobicContact CG2-CG 4.39Å; V372-R399 HydrophobicContact CB-CG 4.37Å; V372-R399 HydrophobicContact CG1-CG 4.22Å; V372-R399 HydrophobicContact CG2-CG 4.29Å; N373-R399 PolarHBondContact OD1-NH2 3.26Å; I395-R399 HydrophobicContact CG2-CG 4.49Å; I395-R399 VanDerWaalsContact CG2-NE 3.33Å; I395-R399 WeakPolarHBondContact O-CB 3.21Å; I395-R399 VanDerWaalsContact O-CG 3.25Å; I395-R399 WeakPolarHBondContact O-CG 3.27Å; I395-R399 PolarHBondContact O-N 2.96Å; D396-R399 PolarHBondContact O-N 3.01Å; D396-R399 WeakPolarHBondContact OD1-CD 3.08Å; D396-R399 IonicContact OD1-CZ 3.6Å; D396-R399 IonicContact OD1-NE 3.46Å; D396-R399 IonicContact OD1-NH1 2.78Å; D396-R399 PolarHBondContact OD1-NH1 2.97Å; V397-R399 PolarHBondContact O-N 2.87Å; R399-A403 WeakPolarHBondContact O-CB 3.19Å; R399-A403 PolarHBondContact O-N 3.02Å
400	R	80.1	Confident	77.7	Confident	138 Å²	138	52.5 Å²	52.5	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-52.1	178.7	-72.1	170.7	-168	-161.3	0.1	111.2	D396 V397 L402 A403 L404 E604	D396-R400 WeakPolarHBondContact O-CB 3.48Å; D396-R400 VanDerWaalsContact O-CG 3.26Å; D396-R400 WeakPolarHBondContact O-CG 3.42Å; D396-R400 PolarHBondContact O-N 2.71Å; V397-R400 PolarHBondContact O-N 3.14Å; R400-L402 PolarHBondContact O-N 3.26Å; R400-A403 WeakPolarHBondContact O-CB 3.28Å; R400-A403 PolarHBondContact O-N 3.39Å; R400-A403 VanDerWaalsContact O-N 3.1Å; R400-L404 WeakPolarHBondContact O-CG 3.39Å; R400-L404 PolarHBondContact O-N 2.94Å; R400-E604 WeakPolarHBondContact CD-OE2 3.48Å; R400-E604 IonicContact CZ-OE2 3.31Å; R400-E604 IonicContact NE-OE2 3.98Å; R400-E604 IonicContact NH1-OE2 3.33Å; R400-E604 PolarHBondContact NH1-OE2 3.11Å
401	E	77.9	Confident	79.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-42.9	178.9	-67.3	-73.2	129.7	0	0	111.9	V397 A403 L404 E405 R512 R611	V397-E401 HydrophobicContact CG1-CG 4.27Å; V397-E401 WeakPolarHBondContact O-CG 3.34Å; V397-E401 PolarHBondContact O-N 3.2Å; E401-A403 VanDerWaalsContact C-N 3.33Å; E401-A403 PolarHBondContact O-N 3.11Å; E401-L404 PolarHBondContact O-N 2.88Å; E401-E405 PolarHBondContact O-N 3.34Å; E401-R512 IonicContact OE1-CZ 3.02Å; E401-R512 IonicContact OE1-NE 3.7Å; E401-R512 PolarHBondContact OE1-NE 2.93Å; E401-R512 IonicContact OE1-NH2 3.39Å; E401-R512 PolarHBondContact OE1-NH2 3.29Å; E401-R611 IonicContact OE1-NH2 3.73Å; E401-R611 IonicContact OE2-NH2 3.35Å; E401-R611 PolarHBondContact OE2-NH2 3.22Å
402	L	80.1	Confident	81.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-32.8	175.1	-80	165.5	0	0	0	113.6	A273 K276 I341 I368 V372 L398 R400 C406	A273-L402 HydrophobicContact CB-CD1 3.61Å; K276-L402 HydrophobicContact CB-CD2 3.67Å; K276-L402 HydrophobicContact CB-CG 4.34Å; K276-L402 HydrophobicContact CG-CD2 4.12Å; K276-L402 HydrophobicContact CG-CG 4.43Å; I341-L402 HydrophobicContact CG2-CD2 4.18Å; I368-L402 HydrophobicContact CD1-CB 4.12Å; I368-L402 HydrophobicContact CG1-CB 4.33Å; I368-L402 HydrophobicContact CG2-CB 3.83Å; I368-L402 HydrophobicContact CG2-CD1 4.04Å; V372-L402 HydrophobicContact CG2-CD1 3.69Å; L398-L402 HydrophobicContact CD1-CD1 3.9Å; L398-L402 HydrophobicContact CD1-CG 4.26Å; L398-L402 HydrophobicContact CG-CD1 3.87Å; L398-L402 VanDerWaalsContact O-CB 3.29Å; L398-L402 WeakPolarHBondContact O-CB 3.33Å; L398-L402 WeakPolarHBondContact O-CD1 3.47Å; L398-L402 VanDerWaalsContact O-CG 3.32Å; L398-L402 WeakPolarHBondContact O-CG 3.3Å; L398-L402 PolarHBondContact O-N 3.35Å; R400-L402 PolarHBondContact O-N 3.26Å; L402-C406 PolarHBondContact O-N 3.44Å; L402-C406 PolarHBondContact O-SG 3.45Å
403	A	84.5	Confident	82.7	Confident	51 Å²	51	41.4 Å²	41.4	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-70.6	-38.2	175	0	0	0	0	0	111.1	I368 R399 R400 E401 C406	I368-A403 HydrophobicContact CD1-CB 4.11Å; R399-A403 WeakPolarHBondContact O-CB 3.19Å; R399-A403 PolarHBondContact O-N 3.02Å; R400-A403 WeakPolarHBondContact O-CB 3.28Å; R400-A403 PolarHBondContact O-N 3.39Å; R400-A403 VanDerWaalsContact O-N 3.1Å; E401-A403 VanDerWaalsContact C-N 3.33Å; E401-A403 PolarHBondContact O-N 3.11Å; A403-C406 WeakPolarHBondContact O-CB 3.3Å; A403-C406 PolarHBondContact O-N 2.87Å
404	L	83.6	Confident	84.3	Confident	46 Å²	46	37.5 Å²	37.5	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-36.6	174	-64.5	176.4	0	0	0	112.5	R400 E401 C406 D407	R400-L404 WeakPolarHBondContact O-CG 3.39Å; R400-L404 PolarHBondContact O-N 2.94Å; E401-L404 PolarHBondContact O-N 2.88Å; L404-C406 PolarHBondContact O-N 3.27Å; L404-D407 PolarHBondContact O-N 3.31Å
405	E	84.1	Confident	85.9	Confident	8 Å²	8	36.1 Å²	36.1	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-27.7	171	-72.9	-158.2	149.6	0	0	113	K276 S340 I341 E401 D407 Y408	K276-E405 VanDerWaalsContact CD-OE1 3.25Å; K276-E405 WeakPolarHBondContact CD-OE1 3.45Å; K276-E405 WeakPolarHBondContact CE-OE1 3.36Å; K276-E405 IonicContact NZ-OE1 3.71Å; K276-E405 PolarHBondContact NZ-OE1 3.3Å; S340-E405 WeakPolarHBondContact CB-OE2 3.34Å; S340-E405 PolarHBondContact OG-OE2 3.1Å; I341-E405 HydrophobicContact CD1-CB 4.18Å; I341-E405 WeakPolarHBondContact CD1-O 3.42Å; E401-E405 PolarHBondContact O-N 3.34Å; E405-D407 VanDerWaalsContact C-N 3.27Å; E405-D407 PolarHBondContact O-N 2.89Å; E405-Y408 WeakPolarHBondContact O-CD1 3.37Å; E405-Y408 VanDerWaalsContact O-CE1 3.31Å; E405-Y408 WeakPolarHBondContact O-CE1 3.47Å
406	C	87.8	Confident	87.1	Confident	16 Å²	16	39.2 Å²	39.2	11%	0.108	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11	179.8	-68.5	0	0	0	0	114	I341 Q360 A365 L402 A403 L404	I341-C406 HydrophobicContact CD1-CB 4.18Å; I341-C406 VanDerWaalsContact CD1-SG 3.6Å; Q360-C406 PolarHBondContact NE2-O 2.99Å; A365-C406 HydrophobicContact CB-CB 4.16Å; L402-C406 PolarHBondContact O-N 3.44Å; L402-C406 PolarHBondContact O-SG 3.45Å; A403-C406 WeakPolarHBondContact O-CB 3.3Å; A403-C406 PolarHBondContact O-N 2.87Å; L404-C406 PolarHBondContact O-N 3.27Å
407	D	91.4	Very high	88.3	Confident	65 Å²	65	39.9 Å²	39.9	35%	0.348	20%	0.196	S	C	.	.			trans	-98	86.7	179.7	-173.4	-11.3	0	0	0	111.3	L404 E405 Q409 R410 E411	L404-D407 PolarHBondContact O-N 3.31Å; E405-D407 VanDerWaalsContact C-N 3.27Å; E405-D407 PolarHBondContact O-N 2.89Å; D407-Q409 VanDerWaalsContact C-N 3.26Å; D407-Q409 PolarHBondContact O-N 3.41Å; D407-Q409 PolarHBondContact OD1-N 3.25Å; D407-Q409 VanDerWaalsContact OD1-N 3.1Å; D407-R410 HydrophobicContact CB-CB 3.98Å; D407-R410 PolarHBondContact O-N 3.12Å; D407-R410 WeakPolarHBondContact OD1-CB 3.36Å; D407-R410 PolarHBondContact OD1-N 2.92Å; D407-R410 VanDerWaalsContact OD2-CB 3.25Å; D407-R410 WeakPolarHBondContact OD2-CB 3.44Å; D407-E411 PolarHBondContact O-N 3.31Å
408	Y	95.1	Very high	89.5	Confident	2 Å²	2	39 Å²	39	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-18.1	178	-73.4	3.9	0	0	0	113.3	I341 K358 Q360 E405 A412 L443	I341-Y408 HydrophobicContact CD1-CE1 3.97Å; I341-Y408 HydrophobicContact CG1-CE1 4.35Å; K358-Y408 HydrophobicContact CG-CE2 4Å; K358-Y408 WeakPolarHBondContact O-CE2 3.48Å; Q360-Y408 HydrophobicContact CB-CE2 3.85Å; Q360-Y408 HydrophobicContact CG-CE2 4.48Å; E405-Y408 WeakPolarHBondContact O-CD1 3.37Å; E405-Y408 VanDerWaalsContact O-CE1 3.31Å; E405-Y408 WeakPolarHBondContact O-CE1 3.47Å; Y408-A412 VanDerWaalsContact O-CB 3.31Å; Y408-A412 WeakPolarHBondContact O-CB 3.39Å; Y408-A412 PolarHBondContact O-N 2.89Å; Y408-L443 HydrophobicContact CD2-CB 3.87Å; Y408-L443 HydrophobicContact CG-CB 4.12Å
409	Q	94.8	Very high	90.7	Very high	118 Å²	118	43.3 Å²	43.3	55%	0.551	21%	0.206	S	C	*	.	H	α-helix	trans	-73.6	-42	174.8	-61.6	-173.3	-74.6	0	0	110.3	D407 A413	D407-Q409 VanDerWaalsContact C-N 3.26Å; D407-Q409 PolarHBondContact O-N 3.41Å; D407-Q409 PolarHBondContact OD1-N 3.25Å; D407-Q409 VanDerWaalsContact OD1-N 3.1Å; Q409-A413 PolarHBondContact O-N 2.78Å
410	R	95	Very high	91.5	Very high	63 Å²	63	45.2 Å²	45.2	24%	0.238	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-45.5	169.9	178.4	-177.4	171.5	-77	-6	111.9	D407 A412 A413 C414 G509 T511	D407-R410 HydrophobicContact CB-CB 3.98Å; D407-R410 PolarHBondContact O-N 3.12Å; D407-R410 WeakPolarHBondContact OD1-CB 3.36Å; D407-R410 PolarHBondContact OD1-N 2.92Å; D407-R410 VanDerWaalsContact OD2-CB 3.25Å; D407-R410 WeakPolarHBondContact OD2-CB 3.44Å; R410-A412 VanDerWaalsContact C-N 3.33Å; R410-A412 PolarHBondContact O-N 3.28Å; R410-A413 WeakPolarHBondContact O-CB 3.19Å; R410-A413 PolarHBondContact O-N 2.9Å; R410-A413 VanDerWaalsContact O-N 3.08Å; R410-C414 PolarHBondContact O-N 3.35Å; R410-C414 PolarHBondContact O-SG 3.07Å; R410-C414 VanDerWaalsContact O-SG 3.34Å; R410-G509 PolarHBondContact NH1-O 3.39Å; R410-T511 PolarHBondContact NH2-O 2.92Å
411	E	95.2	Very high	92.3	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-57	-46.5	175.7	-175	179.2	153.4	0	0	111.4	K358 D407 A413 C414 A415 L443 F508	K358-E411 IonicContact NZ-OE1 3.06Å; K358-E411 PolarHBondContact NZ-OE1 2.74Å; K358-E411 IonicContact NZ-OE2 3.94Å; K358-E411 PolarHBondContact NZ-OE2 3.08Å; D407-E411 PolarHBondContact O-N 3.31Å; E411-A413 VanDerWaalsContact C-N 3.32Å; E411-A413 PolarHBondContact O-N 3.46Å; E411-C414 PolarHBondContact O-N 3.33Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 3.31Å; E411-L443 HydrophobicContact CB-CD1 3.82Å; E411-L443 HydrophobicContact CG-CD1 3.66Å; E411-F508 HydrophobicContact CG-CB 4.07Å
412	A	96.6	Very high	93.2	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-35.9	175.2	0	0	0	0	0	112.7	Y408 R410 R416 I433 L443	Y408-A412 VanDerWaalsContact O-CB 3.31Å; Y408-A412 WeakPolarHBondContact O-CB 3.39Å; Y408-A412 PolarHBondContact O-N 2.89Å; R410-A412 VanDerWaalsContact C-N 3.33Å; R410-A412 PolarHBondContact O-N 3.28Å; A412-R416 WeakPolarHBondContact O-CG 3.48Å; A412-R416 PolarHBondContact O-N 3.35Å; A412-R416 PolarHBondContact O-NH1 3Å; A412-I433 HydrophobicContact CB-CG1 4.41Å; A412-I433 HydrophobicContact CB-CG2 4.15Å; A412-L443 HydrophobicContact CB-CD1 4.14Å
413	A	96.6	Very high	93.9	Very high	50 Å²	50	49.3 Å²	49.3	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-65.3	-43.7	173.8	0	0	0	0	0	111.9	Q409 R410 E411 R416 K417	Q409-A413 PolarHBondContact O-N 2.78Å; R410-A413 WeakPolarHBondContact O-CB 3.19Å; R410-A413 PolarHBondContact O-N 2.9Å; R410-A413 VanDerWaalsContact O-N 3.08Å; E411-A413 VanDerWaalsContact C-N 3.32Å; E411-A413 PolarHBondContact O-N 3.46Å; A413-R416 PolarHBondContact O-N 3.17Å; A413-K417 PolarHBondContact O-N 2.92Å
414	C	96.5	Very high	94.3	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-43.3	174.5	-65	0	0	0	0	112.1	R410 E411 K417 F418 F484 F508 T511	R410-C414 PolarHBondContact O-N 3.35Å; R410-C414 PolarHBondContact O-SG 3.07Å; R410-C414 VanDerWaalsContact O-SG 3.34Å; E411-C414 PolarHBondContact O-N 3.33Å; C414-K417 PolarHBondContact O-N 3.5Å; C414-F418 PolarHBondContact O-N 3.37Å; C414-F484 HydrophobicContact CB-CZ 3.97Å; C414-F508 HydrophobicContact CB-CB 3.89Å; C414-T511 HydrophobicContact CB-CG2 4.14Å
415	A	96.5	Very high	94.9	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-45.3	176.3	0	0	0	0	0	112.4	E411 F418 R419 I433 F508	E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 3.31Å; A415-F418 PolarHBondContact O-N 2.87Å; A415-R419 WeakPolarHBondContact O-CB 3.34Å; A415-R419 PolarHBondContact O-N 3.41Å; A415-I433 HydrophobicContact CB-CD1 3.79Å; A415-I433 HydrophobicContact CB-CG1 4.1Å; A415-F508 HydrophobicContact CB-CD2 3.55Å; A415-F508 HydrophobicContact CB-CE2 4Å; A415-F508 HydrophobicContact CB-CG 4.14Å
416	R	97.3	Very high	95.4	Very high	91 Å²	91	54 Å²	54	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-47.1	174.7	-68.3	-174.9	-146.8	86.5	-10.7	111.3	A412 A413 F418 R419 D420 I433 D435	A412-R416 WeakPolarHBondContact O-CG 3.48Å; A412-R416 PolarHBondContact O-N 3.35Å; A412-R416 PolarHBondContact O-NH1 3Å; A413-R416 PolarHBondContact O-N 3.17Å; R416-F418 PolarHBondContact O-N 2.77Å; R416-R419 WeakPolarHBondContact O-CB 3.49Å; R416-R419 PolarHBondContact O-N 3.21Å; R416-R419 VanDerWaalsContact O-N 3.13Å; R416-D420 PolarHBondContact O-N 3.49Å; R416-D420 VanDerWaalsContact O-N 3.09Å; R416-I433 HydrophobicContact CG-CB 4.26Å; R416-I433 HydrophobicContact CG-CG1 3.9Å; R416-D435 IonicContact CZ-OD1 2.67Å; R416-D435 VanDerWaalsContact CZ-OD1 3.32Å; R416-D435 IonicContact NE-OD1 3.94Å; R416-D435 PolarHBondContact NE-OD1 2.88Å; R416-D435 IonicContact NH2-OD1 3.62Å; R416-D435 PolarHBondContact NH2-OD1 3.17Å
417	K	97.6	Very high	95.9	Very high	81 Å²	81	53.5 Å²	53.5	35%	0.352	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-42.9	176.3	178.9	167.9	165.4	173.9	0	112.2	A413 C414 D420 L421 F484 E513	A413-K417 PolarHBondContact O-N 2.92Å; C414-K417 PolarHBondContact O-N 3.5Å; K417-D420 PolarHBondContact O-N 2.94Å; K417-L421 HydrophobicContact CG-CD1 4.07Å; K417-L421 VanDerWaalsContact O-CG 3.26Å; K417-L421 WeakPolarHBondContact O-CG 3.43Å; K417-L421 PolarHBondContact O-N 3.39Å; K417-F484 HydrophobicContact CB-CE1 3.86Å; K417-F484 HydrophobicContact CB-CZ 4.23Å; K417-F484 HydrophobicContact CD-CD1 3.95Å; K417-F484 HydrophobicContact CD-CE1 3.54Å; K417-F484 HydrophobicContact CD-CE2 4.13Å; K417-F484 HydrophobicContact CD-CG 4.4Å; K417-F484 HydrophobicContact CD-CZ 3.61Å; K417-F484 HydrophobicContact CG-CD1 3.98Å; K417-F484 HydrophobicContact CG-CE1 3.53Å; K417-F484 HydrophobicContact CG-CZ 4.06Å; K417-E513 IonicContact NZ-OE1 3.15Å; K417-E513 PolarHBondContact NZ-OE1 3.24Å
418	F	97	Very high	96.1	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-35.4	174.5	-97.9	-69.6	0	0	0	113.5	C414 A415 R416 D420 L421 L422 V430 E478 F482 F484 Q486 F508 T511	C414-F418 PolarHBondContact O-N 3.37Å; A415-F418 PolarHBondContact O-N 2.87Å; R416-F418 PolarHBondContact O-N 2.77Å; F418-D420 VanDerWaalsContact C-N 3.32Å; F418-D420 PolarHBondContact O-N 3.49Å; F418-L421 PolarHBondContact O-N 3.37Å; F418-L422 HydrophobicContact CD1-CD1 4.28Å; F418-L422 WeakPolarHBondContact O-CB 3.4Å; F418-L422 PolarHBondContact O-N 3.04Å; F418-V430 HydrophobicContact CB-CG2 4.18Å; F418-E478 HydrophobicContact CE1-CG 4.08Å; F418-E478 HydrophobicContact CZ-CG 4.14Å; F418-F482 HydrophobicContact CE1-CD2 4.16Å; F418-F482 HydrophobicContact CE1-CE2 4.43Å; F418-F484 AromaticContact CD2-CD1 3.81Å; F418-F484 HydrophobicContact CD2-CD1 3.81Å; F418-F484 AromaticContact CD2-CE1 3.49Å; F418-F484 HydrophobicContact CD2-CE1 3.49Å; F418-F484 VanDerWaalsContact CD2-CE1 3.49Å; F418-F484 HydrophobicContact CD2-CZ 4.46Å; F418-F484 AromaticContact CE2-CD1 3.57Å; F418-F484 HydrophobicContact CE2-CD1 3.57Å; F418-F484 AromaticContact CE2-CE1 3.6Å; F418-F484 HydrophobicContact CE2-CE1 3.6Å; F418-F484 HydrophobicContact CE2-CG 4.4Å; F418-F484 HydrophobicContact CE2-CZ 4.48Å; F418-F484 HydrophobicContact CG-CD1 4.42Å; F418-F484 HydrophobicContact CG-CE1 4.26Å; F418-F484 AromaticContact CZ-CD1 3.96Å; F418-F484 HydrophobicContact CZ-CD1 3.96Å; F418-F484 HydrophobicContact CZ-CE1 4.43Å; F418-F484 WeakPolarHBondContact CZ-O 3.33Å; F418-Q486 HydrophobicContact CE2-CB 4.28Å; F418-Q486 HydrophobicContact CZ-CB 4.27Å; F418-F508 HydrophobicContact CB-CD1 4.22Å; F418-F508 HydrophobicContact CB-CE1 3.6Å; F418-F508 HydrophobicContact CB-CZ 4.03Å; F418-F508 HydrophobicContact CD1-CE1 4.26Å; F418-F508 AromaticContact CD2-CD1 3.36Å; F418-F508 HydrophobicContact CD2-CD1 3.36Å; F418-F508 AromaticContact CD2-CE1 3.37Å; F418-F508 HydrophobicContact CD2-CE1 3.37Å; F418-F508 AromaticContact CE2-CD1 3.9Å; F418-F508 HydrophobicContact CE2-CD1 3.9Å; F418-F508 HydrophobicContact CE2-CE1 4.05Å; F418-F508 AromaticContact CG-CD1 3.98Å; F418-F508 HydrophobicContact CG-CD1 3.98Å; F418-F508 AromaticContact CG-CE1 3.49Å; F418-F508 HydrophobicContact CG-CE1 3.49Å; F418-F508 VanDerWaalsContact CG-CE1 3.49Å; F418-F508 HydrophobicContact CG-CZ 4.37Å; F418-T511 HydrophobicContact CD2-CG2 4.44Å; F418-T511 HydrophobicContact CE2-CG2 3.74Å
419	R	97.1	Very high	96.1	Very high	91 Å²	91	52.5 Å²	52.5	34%	0.343	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-36	175.9	-170.5	172.7	180	-125.7	5.3	112.5	A415 R416 K423 V430 E432	A415-R419 WeakPolarHBondContact O-CB 3.34Å; A415-R419 PolarHBondContact O-N 3.41Å; R416-R419 WeakPolarHBondContact O-CB 3.49Å; R416-R419 PolarHBondContact O-N 3.21Å; R416-R419 VanDerWaalsContact O-N 3.13Å; R419-K423 WeakPolarHBondContact O-CA 3.44Å; R419-K423 PolarHBondContact O-N 3.04Å; R419-K423 VanDerWaalsContact O-N 3.14Å; R419-V430 HydrophobicContact CB-CB 3.8Å; R419-V430 HydrophobicContact CB-CG1 4Å; R419-V430 WeakPolarHBondContact CD-O 3.48Å; R419-V430 HydrophobicContact CG-CB 4.14Å; R419-E432 IonicContact CZ-OE1 3.88Å; R419-E432 IonicContact NH1-OE1 2.72Å; R419-E432 PolarHBondContact NH1-OE1 3.11Å; R419-E432 IonicContact NH2-OE1 3.63Å; R419-E432 PolarHBondContact NH2-OE1 2.91Å
420	D	97.5	Very high	96.2	Very high	103 Å²	103	47.3 Å²	47.3	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-74.8	-40.2	173	-75.3	-48.3	0	0	0	112.5	R416 K417 F418 L422 K423	R416-D420 PolarHBondContact O-N 3.49Å; R416-D420 VanDerWaalsContact O-N 3.09Å; K417-D420 PolarHBondContact O-N 2.94Å; F418-D420 VanDerWaalsContact C-N 3.32Å; F418-D420 PolarHBondContact O-N 3.49Å; D420-L422 VanDerWaalsContact C-N 3.26Å; D420-L422 PolarHBondContact O-N 2.98Å; D420-K423 WeakPolarHBondContact O-CB 3.26Å; D420-K423 PolarHBondContact O-N 3.3Å; D420-K423 IonicContact OD1-NZ 3.61Å
421	L	96.4	Very high	96.3	Very high	59 Å²	59	44.4 Å²	44.4	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-27.8	175.6	-70.1	167.8	0	0	0	113.7	K417 F418 F482 F484	K417-L421 HydrophobicContact CG-CD1 4.07Å; K417-L421 VanDerWaalsContact O-CG 3.26Å; K417-L421 WeakPolarHBondContact O-CG 3.43Å; K417-L421 PolarHBondContact O-N 3.39Å; F418-L421 PolarHBondContact O-N 3.37Å; L421-F482 HydrophobicContact CB-CD1 4.36Å; L421-F482 HydrophobicContact CB-CE1 4.22Å; L421-F482 HydrophobicContact CB-CE2 4.43Å; L421-F482 HydrophobicContact CB-CZ 4.26Å; L421-F482 HydrophobicContact CD1-CB 3.98Å; L421-F482 HydrophobicContact CD1-CD1 4.32Å; L421-F482 HydrophobicContact CD1-CD2 4.19Å; L421-F482 HydrophobicContact CD1-CG 3.92Å; L421-F482 HydrophobicContact CD2-CD1 3.77Å; L421-F482 HydrophobicContact CD2-CE1 4.23Å; L421-F482 HydrophobicContact CD2-CG 4.2Å; L421-F482 HydrophobicContact CG-CD1 4.37Å; L421-F482 HydrophobicContact CG-CG 4.46Å; L421-F484 HydrophobicContact CD1-CD1 3.89Å
422	L	96.3	Very high	96.4	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	16.5	178	-61.1	174.8	0	0	0	112.8	F418 D420 G424 H425 F428 V430 L474 F482 L505	F418-L422 HydrophobicContact CD1-CD1 4.28Å; F418-L422 WeakPolarHBondContact O-CB 3.4Å; F418-L422 PolarHBondContact O-N 3.04Å; D420-L422 VanDerWaalsContact C-N 3.26Å; D420-L422 PolarHBondContact O-N 2.98Å; L422-G424 PolarHBondContact O-N 2.64Å; L422-H425 HydrophobicContact CB-CB 4.37Å; L422-H425 VanDerWaalsContact O-CB 3.29Å; L422-H425 WeakPolarHBondContact O-CB 3.36Å; L422-H425 PolarHBondContact O-N 3.21Å; L422-F428 HydrophobicContact CD1-CB 4.29Å; L422-V430 HydrophobicContact CD1-CG2 3.97Å; L422-L474 HydrophobicContact CD1-CD1 4.32Å; L422-L474 HydrophobicContact CD2-CD1 4.08Å; L422-F482 HydrophobicContact CD2-CE2 4.23Å; L422-F482 HydrophobicContact CD2-CZ 4.06Å; L422-L505 HydrophobicContact CD1-CD1 3.5Å
423	K	95.7	Very high	96.4	Very high	162 Å²	162	47.4 Å²	47.4	70%	0.704	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	117.2	-177.7	-169.5	171.2	-168.7	161.9	0	111.3	R419 D420 H425	R419-K423 WeakPolarHBondContact O-CA 3.44Å; R419-K423 PolarHBondContact O-N 3.04Å; R419-K423 VanDerWaalsContact O-N 3.14Å; D420-K423 WeakPolarHBondContact O-CB 3.26Å; D420-K423 PolarHBondContact O-N 3.3Å; D420-K423 IonicContact OD1-NZ 3.61Å; K423-H425 VanDerWaalsContact C-N 3.31Å
424	G	93.1	Very high	96.5	Very high	82 Å²	82	45.5 Å²	45.5	85%	0.845	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	9.7	-176.6	0	0	0	0	0	114.8	L422	L422-G424 PolarHBondContact O-N 2.64Å
425	H	95.6	Very high	96.4	Very high	26 Å²	26	49.5 Å²	49.5	12%	0.12	26%	0.259	C	S	.	.			trans	-59.4	135.5	176.5	-159.2	-103.3	0	0	0	110.8	L422 K423 F427 F428 R477 K502	L422-H425 HydrophobicContact CB-CB 4.37Å; L422-H425 VanDerWaalsContact O-CB 3.29Å; L422-H425 WeakPolarHBondContact O-CB 3.36Å; L422-H425 PolarHBondContact O-N 3.21Å; K423-H425 VanDerWaalsContact C-N 3.31Å; H425-F427 PolarHBondContact O-N 3.09Å; H425-F428 HydrophobicContact CB-CB 4.45Å; H425-F428 AromaticContact CE1-CD2 3.54Å; H425-F428 AromaticContact ND1-CD2 3.49Å; H425-F428 WeakPolarHBondContact ND1-CD2 3.15Å; H425-F428 AromaticContact ND1-CG 3.97Å; H425-F428 PolarHBondContact ND1-N 3.11Å; H425-R477 PolarHBondContact NE2-NH1 3.39Å; H425-K502 PolarHBondContact O-NZ 3.34Å
426	P	95.1	Very high	96.3	Very high	95 Å²	95	55.2 Å²	55.2	62%	0.617	29%	0.285	S	S	*	.	S	Bend	trans	-64.1	-43.9	-176.8	23.4	-33.2	0	0	0	111.4	K502	P426-K502 WeakPolarHBondContact O-CE 3.5Å; P426-K502 WeakPolarHBondContact O-CG 3.44Å; P426-K502 PolarHBondContact O-NZ 2.85Å
427	F	96.4	Very high	96.2	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	-101.5	-21.8	-170.2	-169	-99.4	0	0	0	115.4	H425 E466 I467 N470 Y496 H501 K502 V503	H425-F427 PolarHBondContact O-N 3.09Å; F427-E466 HydrophobicContact CE2-CG 4.11Å; F427-I467 HydrophobicContact CZ-CB 4.36Å; F427-I467 HydrophobicContact CZ-CG1 3.8Å; F427-N470 HydrophobicContact CD1-CB 3.41Å; F427-N470 VanDerWaalsContact CD1-CB 3.41Å; F427-N470 VanDerWaalsContact CD1-CG 3.44Å; F427-N470 HydrophobicContact CE1-CB 3.6Å; F427-N470 HydrophobicContact CG-CB 4.13Å; F427-N470 HydrophobicContact CZ-CB 4.47Å; F427-Y496 HydrophobicContact CE2-CE2 4.45Å; F427-H501 AromaticContact CD2-NE2 3.8Å; F427-H501 AromaticContact CE2-CE1 3.91Å; F427-H501 AromaticContact CE2-NE2 3.68Å; F427-K502 CarbonylContact O-C 3.55Å; F427-K502 VanDerWaalsContact O-CA 3.26Å; F427-K502 WeakPolarHBondContact O-CA 3.46Å; F427-V503 HydrophobicContact CD1-CG2 4.33Å; F427-V503 HydrophobicContact CE1-CB 4.14Å; F427-V503 HydrophobicContact CE1-CG2 3.48Å; F427-V503 VanDerWaalsContact CE1-CG2 3.48Å; F427-V503 HydrophobicContact CZ-CG2 3.8Å; F427-V503 PolarHBondContact O-N 3.33Å
428	F	96.7	Very high	96.2	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	151.5	-177.1	-71.3	-63.3	0	0	0	110.7	L422 H425 N470 I471 L474 V503 L505	L422-F428 HydrophobicContact CD1-CB 4.29Å; H425-F428 HydrophobicContact CB-CB 4.45Å; H425-F428 AromaticContact CE1-CD2 3.54Å; H425-F428 AromaticContact ND1-CD2 3.49Å; H425-F428 WeakPolarHBondContact ND1-CD2 3.15Å; H425-F428 AromaticContact ND1-CG 3.97Å; H425-F428 PolarHBondContact ND1-N 3.11Å; F428-N470 HydrophobicContact CE2-CB 3.86Å; F428-N470 WeakPolarHBondContact CE2-O 3.38Å; F428-N470 HydrophobicContact CZ-CB 3.84Å; F428-I471 HydrophobicContact CE1-CD1 3.86Å; F428-I471 HydrophobicContact CZ-CD1 3.87Å; F428-I471 HydrophobicContact CZ-CG1 4.34Å; F428-L474 HydrophobicContact CD1-CD2 4.47Å; F428-L474 HydrophobicContact CD2-CD2 4.32Å; F428-L474 HydrophobicContact CE1-CD2 4.12Å; F428-L474 HydrophobicContact CE2-CB 3.79Å; F428-L474 HydrophobicContact CE2-CD2 3.98Å; F428-L474 HydrophobicContact CE2-CG 4.36Å; F428-L474 HydrophobicContact CZ-CB 4.11Å; F428-L474 HydrophobicContact CZ-CD2 3.87Å; F428-V503 WeakPolarHBondContact CA-O 3.27Å; F428-V503 HydrophobicContact CD1-CB 3.75Å; F428-V503 HydrophobicContact CD1-CG1 4.07Å; F428-V503 HydrophobicContact CE1-CB 3.77Å; F428-V503 HydrophobicContact CE1-CG1 3.92Å; F428-V503 HydrophobicContact CE1-CG2 4.47Å; F428-L505 HydrophobicContact CD1-CD1 4.48Å; F428-L505 HydrophobicContact CD1-CD2 4.01Å; F428-L505 HydrophobicContact CD1-CG 4.36Å; F428-L505 HydrophobicContact CE1-CD2 4.26Å
429	Y	96	Very high	96.1	Very high	43 Å²	43	48.9 Å²	48.9	17%	0.169	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.2	162.2	76.2	-75.7	0	0	0	111.4	V448 K502 V503 A504 L505	Y429-V448 HydrophobicContact CE2-CG1 4.11Å; Y429-K502 HydrophobicContact CD1-CB 4.02Å; Y429-K502 HydrophobicContact CD1-CD 4.18Å; Y429-K502 HydrophobicContact CE1-CB 4.24Å; Y429-V503 PolarHBondContact N-O 2.99Å; Y429-A504 HydrophobicContact CD1-CB 4.06Å; Y429-A504 HydrophobicContact CE1-CB 3.38Å; Y429-A504 HydrophobicContact CE2-CB 3.99Å; Y429-A504 WeakPolarHBondContact O-CA 3.42Å; Y429-A504 WeakPolarHBondContact OH-CB 3.25Å; Y429-L505 PolarHBondContact O-N 2.95Å
430	V	96.9	Very high	96	Very high	8 Å²	8	47.1 Å²	47.1	5%	0.048	27%	0.265	C	S	.	.			trans	-120.5	127	175.2	-175.3	0	0	0	0	106.3	F418 R419 L422 L505 F508	F418-V430 HydrophobicContact CB-CG2 4.18Å; R419-V430 HydrophobicContact CB-CB 3.8Å; R419-V430 HydrophobicContact CB-CG1 4Å; R419-V430 WeakPolarHBondContact CD-O 3.48Å; R419-V430 HydrophobicContact CG-CB 4.14Å; L422-V430 HydrophobicContact CD1-CG2 3.97Å; V430-L505 HydrophobicContact CG2-CB 4.38Å; V430-L505 HydrophobicContact CG2-CD1 4.28Å; V430-F508 HydrophobicContact CG1-CE2 3.66Å; V430-F508 HydrophobicContact CG1-CZ 3.69Å; V430-F508 HydrophobicContact CG2-CZ 4.08Å
431	P	96.1	Very high	95.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.019	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-65.5	148	-177.5	30.1	-36.5	0	0	0	111	I433 T445 E446 V448 L505 L506	P431-I433 PolarHBondContact O-N 2.87Å; P431-T445 HydrophobicContact CG-CG2 4.17Å; P431-E446 WeakPolarHBondContact CA-OE1 3.25Å; P431-E446 HydrophobicContact CB-CG 3.57Å; P431-V448 HydrophobicContact CB-CG1 4.01Å; P431-V448 HydrophobicContact CG-CG1 4.21Å; P431-L505 WeakPolarHBondContact CD-O 3.42Å; P431-L506 HydrophobicContact CG-CD2 3.77Å
432	E	96.8	Very high	95.9	Very high	57 Å²	57	42.3 Å²	42.3	27%	0.266	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-58.6	133.4	171	-169.2	149.8	-94.2	0	0	112	R353 R419 T445 E446	R353-E432 IonicContact CZ-OE2 2.68Å; R353-E432 IonicContact NH1-OE2 3.36Å; R353-E432 PolarHBondContact NH1-OE2 3.1Å; R353-E432 IonicContact NH2-OE2 2.67Å; R353-E432 PolarHBondContact NH2-OE2 3.49Å; R419-E432 IonicContact CZ-OE1 3.88Å; R419-E432 IonicContact NH1-OE1 2.72Å; R419-E432 PolarHBondContact NH1-OE1 3.11Å; R419-E432 IonicContact NH2-OE1 3.63Å; R419-E432 PolarHBondContact NH2-OE1 2.91Å; E432-T445 CarbonylContact O-C 3.56Å; E432-T445 WeakPolarHBondContact O-CA 3.24Å; E432-E446 HydrophobicContact CB-CG 4.23Å; E432-E446 PolarHBondContact N-OE1 3.3Å; E432-E446 PolarHBondContact O-N 3.14Å
433	I	97.9	Very high	95.9	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.062	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-76.5	130.9	166.1	-59.7	-52.4	0	0	0	109	A412 A415 R416 P431 D435 C438 L443 T445	A412-I433 HydrophobicContact CB-CG1 4.41Å; A412-I433 HydrophobicContact CB-CG2 4.15Å; A415-I433 HydrophobicContact CB-CD1 3.79Å; A415-I433 HydrophobicContact CB-CG1 4.1Å; R416-I433 HydrophobicContact CG-CB 4.26Å; R416-I433 HydrophobicContact CG-CG1 3.9Å; P431-I433 PolarHBondContact O-N 2.87Å; I433-D435 WeakPolarHBondContact CG2-OD1 3.46Å; I433-D435 PolarHBondContact O-N 2.9Å; I433-C438 VanDerWaalsContact CG2-SG 3.53Å; I433-L443 HydrophobicContact CD1-CD2 4.38Å; I433-T445 HydrophobicContact CD1-CG2 3.85Å
434	V	97	Very high	96	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.055	20%	0.204	C	C	.	.			trans	-96.6	86.4	177.7	-178.3	0	0	0	0	108.3	M349 V355 E436 L437 C438 T444	M349-V434 HydrophobicContact CE-CG1 3.65Å; M349-V434 HydrophobicContact SD-CG1 3.54Å; M349-V434 VanDerWaalsContact SD-CG1 3.54Å; M349-V434 HydrophobicContact SD-CG2 4.49Å; V355-V434 HydrophobicContact CG1-CG2 3.96Å; V434-E436 PolarHBondContact O-N 3.11Å; V434-E436 VanDerWaalsContact O-N 3.14Å; V434-L437 HydrophobicContact CG1-CB 4.24Å; V434-L437 HydrophobicContact CG1-CD1 4.14Å; V434-L437 HydrophobicContact CG1-CG 4.3Å; V434-L437 CarbonylContact O-C 3.57Å; V434-L437 PolarHBondContact O-N 3.4Å; V434-C438 PolarHBondContact O-N 3.27Å; V434-C438 PolarHBondContact O-SG 3Å; V434-T444 HydrophobicContact CB-CG2 3.91Å; V434-T444 HydrophobicContact CG1-CG2 4.45Å; V434-T444 HydrophobicContact CG2-CG2 4.26Å; V434-T444 PolarHBondContact N-O 3.16Å
435	D	95.3	Very high	96.2	Very high	95 Å²	95	31.3 Å²	31.3	51%	0.508	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-55.8	-34.1	-171.2	-67.3	-37.6	0	0	0	113.5	R416 I433 L437 C438	R416-D435 IonicContact CZ-OD1 2.67Å; R416-D435 VanDerWaalsContact CZ-OD1 3.32Å; R416-D435 IonicContact NE-OD1 3.94Å; R416-D435 PolarHBondContact NE-OD1 2.88Å; R416-D435 IonicContact NH2-OD1 3.62Å; R416-D435 PolarHBondContact NH2-OD1 3.17Å; I433-D435 WeakPolarHBondContact CG2-OD1 3.46Å; I433-D435 PolarHBondContact O-N 2.9Å; D435-L437 PolarHBondContact O-N 3.39Å; D435-L437 VanDerWaalsContact O-N 3.11Å; D435-C438 PolarHBondContact O-N 2.95Å
436	E	93.7	Very high	96.2	Very high	124 Å²	124	32.5 Å²	32.5	58%	0.579	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-60.4	-19.5	175.9	-62.8	-179.3	-161.7	0	0	114.5	K327 V434	K327-E436 PolarHBondContact NZ-O 2.75Å; V434-E436 PolarHBondContact O-N 3.11Å; V434-E436 VanDerWaalsContact O-N 3.14Å
437	L	95.8	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-122	21.7	-177.8	-65.5	173.9	0	0	0	111.7	L320 K327 L328 M349 V355 M357 V434 D435 T444	L320-L437 HydrophobicContact CD1-CD2 4.28Å; K327-L437 HydrophobicContact CB-CD2 4.07Å; K327-L437 HydrophobicContact CD-CD2 3.65Å; K327-L437 HydrophobicContact CD-CG 4.48Å; L328-L437 HydrophobicContact CD2-CD1 3.85Å; M349-L437 HydrophobicContact CE-CD1 4.23Å; M349-L437 HydrophobicContact CG-CD1 4.15Å; M349-L437 HydrophobicContact SD-CD1 4.42Å; V355-L437 HydrophobicContact CG2-CD1 4.48Å; M357-L437 HydrophobicContact CE-CB 4.36Å; M357-L437 HydrophobicContact CE-CD2 4.28Å; V434-L437 HydrophobicContact CG1-CB 4.24Å; V434-L437 HydrophobicContact CG1-CD1 4.14Å; V434-L437 HydrophobicContact CG1-CG 4.3Å; V434-L437 CarbonylContact O-C 3.57Å; V434-L437 PolarHBondContact O-N 3.4Å; D435-L437 PolarHBondContact O-N 3.39Å; D435-L437 VanDerWaalsContact O-N 3.11Å; L437-T444 HydrophobicContact CB-CG2 3.91Å; L437-T444 WeakPolarHBondContact CB-OG1 3.25Å; L437-T444 HydrophobicContact CD1-CG2 4.12Å; L437-T444 WeakPolarHBondContact O-CB 3.5Å; L437-T444 PolarHBondContact O-OG1 2.89Å
438	C	96.8	Very high	96	Very high	31 Å²	31	31.3 Å²	31.3	21%	0.209	16%	0.162	C	C	.	.			trans	-110.4	146.7	175.9	-68.4	0	0	0	0	112.4	I433 V434 D435 V442 T444	I433-C438 VanDerWaalsContact CG2-SG 3.53Å; V434-C438 PolarHBondContact O-N 3.27Å; V434-C438 PolarHBondContact O-SG 3Å; D435-C438 PolarHBondContact O-N 2.95Å; C438-V442 CarbonylContact C-O 3.6Å; C438-V442 WeakPolarHBondContact CA-O 3.43Å; C438-T444 PolarHBondContact SG-N 3.38Å
439	S	95.8	Very high	95.5	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.063	17%	0.173	C	C	.	.			trans	-160.7	-179.4	-176.1	78	0	0	0	0	110.5	D319 H441 V442	D319-S439 WeakPolarHBondContact CB-OG 3.47Å; D319-S439 VanDerWaalsContact OD2-CB 3.29Å; D319-S439 WeakPolarHBondContact OD2-CB 3.49Å; D319-S439 PolarHBondContact OD2-OG 3.45Å; S439-H441 VanDerWaalsContact C-N 3.26Å; S439-H441 PolarHBondContact O-N 3.14Å; S439-H441 PolarHBondContact OG-N 3.43Å; S439-V442 PolarHBondContact N-O 3.23Å; S439-V442 VanDerWaalsContact O-O 3.1Å; S439-V442 WeakPolarHBondContact OG-CB 3.25Å; S439-V442 WeakPolarHBondContact OG-CG2 3.26Å; S439-V442 PolarHBondContact OG-N 3.48Å
440	P	94.4	Very high	95.1	Very high	55 Å²	55	31.1 Å²	31.1	36%	0.357	17%	0.168	S	C	.	.	S	Bend	trans	-57.2	-31.9	173.4	-26.9	36.7	0	0	0	115.2
441	H	94.9	Very high	94.5	Very high	60 Å²	60	32 Å²	32	28%	0.278	17%	0.172	S	C	.	.	S	Bend	trans	-118.9	4.7	-176.8	-45	106.8	0	0	0	114.5	T315 D319 Q360 S439	T315-H441 HydrophobicContact CG2-CB 3.95Å; D319-H441 VanDerWaalsContact CG-ND1 3.28Å; D319-H441 IonicContact OD1-CE1 2.71Å; D319-H441 IonicContact OD1-CG 3.51Å; D319-H441 IonicContact OD1-ND1 3.95Å; D319-H441 PolarHBondContact OD1-ND1 2.95Å; D319-H441 WeakPolarHBondContact OD2-CB 3.32Å; D319-H441 IonicContact OD2-CG 2.71Å; D319-H441 PolarHBondContact OD2-N 2.62Å; D319-H441 IonicContact OD2-ND1 3.73Å; D319-H441 PolarHBondContact OD2-ND1 2.94Å; Q360-H441 HydrophobicContact CB-CB 4.03Å; Q360-H441 WeakPolarHBondContact CB-O 3.28Å; Q360-H441 PolarHBondContact N-O 2.91Å; S439-H441 VanDerWaalsContact C-N 3.26Å; S439-H441 PolarHBondContact O-N 3.14Å; S439-H441 PolarHBondContact OG-N 3.43Å
442	V	96.4	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.2	176.6	-169.5	0	0	0	0	109.8	L316 D319 L320 M357 K358 I359 C438 S439	L316-V442 HydrophobicContact CD2-CG1 4.28Å; L316-V442 HydrophobicContact CD2-CG2 3.98Å; D319-V442 HydrophobicContact CB-CG2 4.24Å; L320-V442 HydrophobicContact CD1-CG1 4.31Å; L320-V442 HydrophobicContact CD1-CG2 4.46Å; L320-V442 HydrophobicContact CG-CG2 4.47Å; M357-V442 HydrophobicContact CE-CG1 4.11Å; K358-V442 WeakPolarHBondContact O-CA 3.24Å; I359-V442 HydrophobicContact CG1-CG1 4.35Å; C438-V442 CarbonylContact C-O 3.6Å; C438-V442 WeakPolarHBondContact CA-O 3.43Å; S439-V442 PolarHBondContact N-O 3.23Å; S439-V442 VanDerWaalsContact O-O 3.1Å; S439-V442 WeakPolarHBondContact OG-CB 3.25Å; S439-V442 WeakPolarHBondContact OG-CG2 3.26Å; S439-V442 PolarHBondContact OG-N 3.48Å
443	L	97	Very high	93.7	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.2	171.8	-174.3	152.3	0	0	0	108.1	K358 Y408 E411 A412 I433 T445	K358-L443 WeakPolarHBondContact CA-O 3.27Å; K358-L443 HydrophobicContact CB-CB 4.36Å; K358-L443 WeakPolarHBondContact CB-O 3.39Å; K358-L443 PolarHBondContact N-O 2.87Å; K358-L443 PolarHBondContact O-N 3.23Å; Y408-L443 HydrophobicContact CD2-CB 3.87Å; Y408-L443 HydrophobicContact CG-CB 4.12Å; E411-L443 HydrophobicContact CB-CD1 3.82Å; E411-L443 HydrophobicContact CG-CD1 3.66Å; A412-L443 HydrophobicContact CB-CD1 4.14Å; I433-L443 HydrophobicContact CD1-CD2 4.38Å; L443-T445 HydrophobicContact CD2-CG2 3.57Å
444	T	97.4	Very high	92.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.4	179.7	-57.5	0	0	0	0	110.5	V355 A356 M357 V434 L437 C438	V355-T444 HydrophobicContact CB-CG2 3.82Å; V355-T444 HydrophobicContact CG2-CG2 3.92Å; A356-T444 WeakPolarHBondContact O-CA 3.45Å; M357-T444 HydrophobicContact CG-CG2 3.81Å; V434-T444 HydrophobicContact CB-CG2 3.91Å; V434-T444 HydrophobicContact CG1-CG2 4.45Å; V434-T444 HydrophobicContact CG2-CG2 4.26Å; V434-T444 PolarHBondContact N-O 3.16Å; L437-T444 HydrophobicContact CB-CG2 3.91Å; L437-T444 WeakPolarHBondContact CB-OG1 3.25Å; L437-T444 HydrophobicContact CD1-CG2 4.12Å; L437-T444 WeakPolarHBondContact O-CB 3.5Å; L437-T444 PolarHBondContact O-OG1 2.89Å; C438-T444 PolarHBondContact SG-N 3.38Å
445	T	97.4	Very high	92.2	Very high	13 Å²	13	35.6 Å²	35.6	8%	0.08	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	166.3	172.2	73.1	0	0	0	0	110.5	V355 A356 P431 E432 I433 L443	V355-T445 CarbonylContact C-O 3.53Å; V355-T445 VanDerWaalsContact CA-O 3.24Å; V355-T445 WeakPolarHBondContact CA-O 3.44Å; V355-T445 VanDerWaalsContact CB-O 3.23Å; V355-T445 WeakPolarHBondContact CB-O 3.34Å; A356-T445 PolarHBondContact N-O 3.03Å; A356-T445 PolarHBondContact O-N 3.46Å; P431-T445 HydrophobicContact CG-CG2 4.17Å; E432-T445 CarbonylContact O-C 3.56Å; E432-T445 WeakPolarHBondContact O-CA 3.24Å; I433-T445 HydrophobicContact CD1-CG2 3.85Å; L443-T445 HydrophobicContact CD2-CG2 3.57Å
446	E	95.6	Very high	91.8	Very high	52 Å²	52	31 Å²	31	24%	0.243	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	151.3	157.5	65	-167.1	162.9	0	0	111.5	R353 P431 E432	R353-E446 IonicContact CZ-OE2 2.75Å; R353-E446 IonicContact NE-OE2 2.73Å; R353-E446 IonicContact NH2-OE2 3.21Å; R353-E446 PolarHBondContact NH2-OE2 2.94Å; P431-E446 WeakPolarHBondContact CA-OE1 3.25Å; P431-E446 HydrophobicContact CB-CG 3.57Å; E432-E446 HydrophobicContact CB-CG 4.23Å; E432-E446 PolarHBondContact N-OE1 3.3Å; E432-E446 PolarHBondContact O-N 3.14Å
447	L	94.4	Very high	91.5	Very high	50 Å²	50	29.7 Å²	29.7	26%	0.262	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-72.6	128.8	-180	-176.2	72	0	0	0	110.7	F336 L346 E354 A356	F336-L447 HydrophobicContact CE1-CD1 4.23Å; F336-L447 HydrophobicContact CZ-CD1 4.09Å; L346-L447 HydrophobicContact CD1-CD1 4.11Å; L346-L447 HydrophobicContact CD1-CD2 3.72Å; L346-L447 HydrophobicContact CD1-CG 4.42Å; E354-L447 HydrophobicContact CB-CB 4.06Å; E354-L447 HydrophobicContact CB-CD2 3.99Å; E354-L447 PolarHBondContact O-N 3.19Å; E354-L447 VanDerWaalsContact O-N 3.12Å; A356-L447 HydrophobicContact CB-CD1 4.24Å
448	V	92.6	Very high	91.2	Very high	27 Å²	27	33.7 Å²	33.7	16%	0.164	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-92.2	150.4	173.8	-60	0	0	0	0	112.3	Y429 P431 F495 A504 L506	Y429-V448 HydrophobicContact CE2-CG1 4.11Å; P431-V448 HydrophobicContact CB-CG1 4.01Å; P431-V448 HydrophobicContact CG-CG1 4.21Å; V448-F495 HydrophobicContact CG2-CD1 4.49Å; V448-F495 HydrophobicContact CG2-CD2 4.29Å; V448-F495 HydrophobicContact CG2-CG 4.2Å; V448-A504 HydrophobicContact CB-CB 4.01Å; V448-A504 HydrophobicContact CG1-CB 3.8Å; V448-L506 HydrophobicContact CB-CD2 4.39Å; V448-L506 HydrophobicContact CG1-CD2 3.67Å; V448-L506 HydrophobicContact CG2-CD1 3.98Å; V448-L506 HydrophobicContact CG2-CD2 3.81Å; V448-L506 HydrophobicContact CG2-CG 4.23Å
449	S	86.3	Confident	91	Very high	35 Å²	35	34 Å²	34	25%	0.245	20%	0.198	C	C	.	.			trans	-110.1	168.1	171.5	51.4	0	0	0	0	111.4	D497	S449-D497 VanDerWaalsContact CB-OD2 3.24Å; S449-D497 WeakPolarHBondContact CB-OD2 3.47Å; S449-D497 PolarHBondContact OG-OD2 2.92Å
450	G	88.6	Confident	91	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	21%	0.214	C	C	.	.	S	Bend	trans	104	-170.5	-173.5	0	0	0	0	0	112.9	H193 Y496	H193-G450 WeakPolarHBondContact CB-O 3.42Å; G450-Y496 CarbonylContact C-O 3.51Å; G450-Y496 WeakPolarHBondContact CA-O 3.42Å
451	F	84.7	Confident	91.1	Very high	26 Å²	26	37.4 Å²	37.4	11%	0.114	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.9	178.8	55.4	-104.8	0	0	0	112.4	H193 A456 L459 F495 Y496 P498	H193-F451 HydrophobicContact CB-CB 4.23Å; F451-A456 HydrophobicContact CE2-CB 3.95Å; F451-L459 HydrophobicContact CE2-CD1 4.12Å; F451-L459 HydrophobicContact CZ-CD1 3.86Å; F451-L459 HydrophobicContact CZ-CD2 4.02Å; F451-L459 HydrophobicContact CZ-CG 4.08Å; F451-F495 CarbonylContact O-C 3.45Å; F451-F495 WeakPolarHBondContact O-CA 3.23Å; F451-Y496 HydrophobicContact CE1-CD1 4.38Å; F451-Y496 HydrophobicContact CE2-CD1 4.26Å; F451-Y496 AromaticContact CZ-CD1 3.81Å; F451-Y496 HydrophobicContact CZ-CD1 3.81Å; F451-Y496 PolarHBondContact N-O 2.74Å; F451-Y496 PolarHBondContact O-N 2.87Å; F451-P498 HydrophobicContact CD1-CG 4.4Å; F451-P498 HydrophobicContact CE1-CG 3.6Å; F451-P498 HydrophobicContact CZ-CG 4.26Å
452	P	88.3	Confident	91.1	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	135.8	176.1	-33.9	40.6	0	0	0	114.7	D454 Q455 F494 F495	P452-D454 WeakPolarHBondContact CB-OD1 3.5Å; P452-D454 PolarHBondContact O-N 2.92Å; P452-Q455 HydrophobicContact CB-CG 4.25Å; P452-Q455 WeakPolarHBondContact O-CB 3.18Å; P452-Q455 PolarHBondContact O-N 3.26Å; P452-F494 CarbonylContact C-O 3.51Å; P452-F494 WeakPolarHBondContact CA-O 3.31Å; P452-F495 HydrophobicContact CG-CE1 4.06Å
453	L	87.4	Confident	91.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.9	-27.6	175.9	-69.4	-169.4	0	0	0	112.9	Q455 A456 I467 I471 W491 F494 V503	L453-Q455 PolarHBondContact O-N 2.94Å; L453-Q455 VanDerWaalsContact O-N 3.11Å; L453-A456 VanDerWaalsContact O-CB 3.28Å; L453-A456 WeakPolarHBondContact O-CB 3.14Å; L453-A456 PolarHBondContact O-N 3.36Å; L453-A456 VanDerWaalsContact O-N 3.09Å; L453-I467 HydrophobicContact CD1-CG2 3.91Å; L453-I467 HydrophobicContact CD2-CD1 4.26Å; L453-I467 HydrophobicContact CD2-CG2 3.79Å; L453-I467 HydrophobicContact CG-CG2 4.47Å; L453-I471 HydrophobicContact CD1-CD1 4.09Å; L453-I471 HydrophobicContact CD1-CG1 4.26Å; L453-W491 HydrophobicContact CB-CB 4.39Å; L453-W491 PolarHBondContact N-O 2.94Å; L453-F494 HydrophobicContact CB-CB 4.3Å; L453-F494 HydrophobicContact CD1-CB 3.58Å; L453-F494 HydrophobicContact CD1-CD1 4.31Å; L453-F494 HydrophobicContact CD1-CG 4.23Å; L453-F494 HydrophobicContact CG-CB 3.66Å; L453-F494 PolarHBondContact N-O 3.26Å; L453-V503 HydrophobicContact CD1-CG1 4.28Å; L453-V503 HydrophobicContact CD2-CG2 4.2Å
454	D	80.3	Confident	91	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-71.4	2.4	174.1	72.5	-12.4	0	0	0	114.5	R301 P452 W491 K622	R301-D454 IonicContact CZ-OD2 2.71Å; R301-D454 VanDerWaalsContact CZ-OD2 3.3Å; R301-D454 IonicContact NH1-OD2 3.39Å; R301-D454 PolarHBondContact NH1-OD2 3.27Å; R301-D454 IonicContact NH2-OD2 2.69Å; R301-D454 PolarHBondContact NH2-OD2 3.16Å; P452-D454 WeakPolarHBondContact CB-OD1 3.5Å; P452-D454 PolarHBondContact O-N 2.92Å; D454-W491 HydrophobicContact CB-CB 4.38Å; D454-K622 PolarHBondContact O-NZ 2.84Å
455	Q	82.6	Confident	90.9	Very high	127 Å²	127	44.8 Å²	44.8	59%	0.593	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-116.1	3.2	171.2	-60.1	173.4	24.7	0	0	112.7	P452 L453 E457	P452-Q455 HydrophobicContact CB-CG 4.25Å; P452-Q455 WeakPolarHBondContact O-CB 3.18Å; P452-Q455 PolarHBondContact O-N 3.26Å; L453-Q455 PolarHBondContact O-N 2.94Å; L453-Q455 VanDerWaalsContact O-N 3.11Å; Q455-E457 VanDerWaalsContact C-N 3.25Å; Q455-E457 PolarHBondContact O-N 3.49Å
456	A	87.9	Confident	90.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-77.5	3.2	-173	0	0	0	0	0	115.5	F451 L453 G458 L459 R464 L623	F451-A456 HydrophobicContact CE2-CB 3.95Å; L453-A456 VanDerWaalsContact O-CB 3.28Å; L453-A456 WeakPolarHBondContact O-CB 3.14Å; L453-A456 PolarHBondContact O-N 3.36Å; L453-A456 VanDerWaalsContact O-N 3.09Å; A456-G458 PolarHBondContact O-N 2.91Å; A456-L459 HydrophobicContact CB-CD1 3.92Å; A456-L459 WeakPolarHBondContact O-CB 3.3Å; A456-L459 PolarHBondContact O-N 3.28Å; A456-L459 VanDerWaalsContact O-N 3.11Å; A456-R464 WeakPolarHBondContact O-CD 3.12Å; A456-L623 HydrophobicContact CB-CD1 4.11Å; A456-L623 HydrophobicContact CB-CD2 3.83Å
457	E	86.8	Confident	90.9	Very high	96 Å²	96	44.2 Å²	44.2	45%	0.449	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.9	-32.2	-177.5	-68.2	177.6	-121.7	0	0	113.6	Q455 L459 R464 K622 L623	Q455-E457 VanDerWaalsContact C-N 3.25Å; Q455-E457 PolarHBondContact O-N 3.49Å; E457-L459 PolarHBondContact O-N 2.8Å; E457-R464 PolarHBondContact O-NE 2.8Å; E457-K622 HydrophobicContact CG-CG 4.41Å; E457-K622 WeakPolarHBondContact OE1-CE 3.26Å; E457-K622 IonicContact OE1-NZ 3.86Å; E457-K622 PolarHBondContact OE1-NZ 3.45Å; E457-L623 HydrophobicContact CG-CD2 3.92Å
458	G	88.7	Confident	90.9	Very high	83 Å²	83	41.9 Å²	41.9	86%	0.856	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-75.8	-0.9	179.7	0	0	0	0	0	115.6	A456	A456-G458 PolarHBondContact O-N 2.91Å
459	L	93.8	Very high	91	Very high	38 Å²	38	42.3 Å²	42.3	20%	0.199	23%	0.232	C	C	.	.	S	Bend	trans	-77	162.8	177.2	-69.3	173.5	0	0	0	112.6	F451 A456 E457 I463 R464 I467 Y496	F451-L459 HydrophobicContact CE2-CD1 4.12Å; F451-L459 HydrophobicContact CZ-CD1 3.86Å; F451-L459 HydrophobicContact CZ-CD2 4.02Å; F451-L459 HydrophobicContact CZ-CG 4.08Å; A456-L459 HydrophobicContact CB-CD1 3.92Å; A456-L459 WeakPolarHBondContact O-CB 3.3Å; A456-L459 PolarHBondContact O-N 3.28Å; A456-L459 VanDerWaalsContact O-N 3.11Å; E457-L459 PolarHBondContact O-N 2.8Å; L459-I463 HydrophobicContact CB-CB 4.45Å; L459-I463 HydrophobicContact CB-CG2 4.39Å; L459-I463 HydrophobicContact CD1-CG2 3.74Å; L459-I463 HydrophobicContact CG-CG2 4.48Å; L459-R464 HydrophobicContact CB-CG 3.92Å; L459-R464 PolarHBondContact O-NE 2.86Å; L459-I467 HydrophobicContact CD1-CD1 3.76Å; L459-Y496 HydrophobicContact CD1-CD1 3.82Å; L459-Y496 HydrophobicContact CD1-CE1 3.92Å; L459-Y496 HydrophobicContact CD2-CE1 4.42Å
460	S	96.2	Very high	91.5	Very high	57 Å²	57	41.8 Å²	41.8	40%	0.399	23%	0.227	S	C	.	.			trans	-59.8	153.8	172.7	68.1	0	0	0	0	111.2	E462 I463 R464	S460-E462 PolarHBondContact O-N 2.86Å; S460-I463 PolarHBondContact O-N 3.16Å; S460-I463 WeakPolarHBondContact OG-CG1 3.47Å; S460-R464 PolarHBondContact O-N 3.3Å
461	Q	94.9	Very high	91.8	Very high	78 Å²	78	41.6 Å²	41.6	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-37.4	-178.6	-172	62.9	49.2	0	0	112.1	R464 N465 K624	Q461-R464 VanDerWaalsContact CD-NH1 3.34Å; Q461-R464 PolarHBondContact O-N 2.91Å; Q461-R464 VanDerWaalsContact OE1-CZ 3.29Å; Q461-N465 PolarHBondContact NE2-OD1 3.23Å; Q461-N465 WeakPolarHBondContact O-CB 3.46Å; Q461-N465 PolarHBondContact O-N 3.17Å; Q461-N465 PolarHBondContact O-ND2 3.45Å; Q461-N465 PolarHBondContact O-OD1 3.33Å; Q461-K624 PolarHBondContact NE2-O 3.14Å
462	E	95.9	Very high	92.1	Very high	141 Å²	141	40.6 Å²	40.6	66%	0.659	22%	0.22	S	C	*	.	H	α-helix	trans	-61	-50.5	177.3	-65.6	160.2	172.9	0	0	111.6	S460 R464 N465 E466	S460-E462 PolarHBondContact O-N 2.86Å; E462-R464 PolarHBondContact O-N 2.76Å; E462-N465 WeakPolarHBondContact O-CB 3.32Å; E462-N465 PolarHBondContact O-N 2.89Å; E462-E466 WeakPolarHBondContact O-CB 3.35Å; E462-E466 PolarHBondContact O-N 2.97Å
463	I	95.6	Very high	92.4	Very high	33 Å²	33	41.9 Å²	41.9	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-36.7	180	-60.4	-65.7	0	0	0	111.2	L459 S460 E466 I467 Y496	L459-I463 HydrophobicContact CB-CB 4.45Å; L459-I463 HydrophobicContact CB-CG2 4.39Å; L459-I463 HydrophobicContact CD1-CG2 3.74Å; L459-I463 HydrophobicContact CG-CG2 4.48Å; S460-I463 PolarHBondContact O-N 3.16Å; S460-I463 WeakPolarHBondContact OG-CG1 3.47Å; I463-E466 PolarHBondContact O-N 3.09Å; I463-I467 HydrophobicContact CG2-CD1 3.84Å; I463-I467 HydrophobicContact CG2-CG1 4.35Å; I463-I467 WeakPolarHBondContact O-CB 3.28Å; I463-I467 WeakPolarHBondContact O-CD1 3.41Å; I463-I467 VanDerWaalsContact O-CG1 3.25Å; I463-I467 WeakPolarHBondContact O-CG1 3.46Å; I463-I467 PolarHBondContact O-N 2.93Å; I463-Y496 HydrophobicContact CG2-CE1 3.94Å; I463-Y496 HydrophobicContact CG2-CE2 4.26Å
464	R	95.4	Very high	92.8	Very high	30 Å²	30	42 Å²	42	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-41.7	173	-72.1	-172.8	-75.9	95.9	2.2	111.8	A456 E457 L459 S460 Q461 E462 C468 L623 K624	A456-R464 WeakPolarHBondContact O-CD 3.12Å; E457-R464 PolarHBondContact O-NE 2.8Å; L459-R464 HydrophobicContact CB-CG 3.92Å; L459-R464 PolarHBondContact O-NE 2.86Å; S460-R464 PolarHBondContact O-N 3.3Å; Q461-R464 VanDerWaalsContact CD-NH1 3.34Å; Q461-R464 PolarHBondContact O-N 2.91Å; Q461-R464 VanDerWaalsContact OE1-CZ 3.29Å; E462-R464 PolarHBondContact O-N 2.76Å; R464-C468 WeakPolarHBondContact O-CB 3.33Å; R464-C468 PolarHBondContact O-N 3.4Å; R464-C468 VanDerWaalsContact O-N 3.11Å; R464-C468 PolarHBondContact O-SG 3.26Å; R464-C468 VanDerWaalsContact O-SG 3.32Å; R464-L623 HydrophobicContact CB-CB 4.39Å; R464-L623 WeakPolarHBondContact CD-O 3.38Å; R464-L623 HydrophobicContact CG-CB 4.4Å; R464-L623 PolarHBondContact NH1-O 2.91Å; R464-K624 PolarHBondContact NH1-O 2.81Å
465	N	95.9	Very high	93.4	Very high	18 Å²	18	41 Å²	41	10%	0.096	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-45.7	173.2	-70	-7.9	0	0	0	111.5	F125 Q461 E462 C468 Y469 A625 R626	F125-N465 HydrophobicContact CZ-CB 4.19Å; Q461-N465 PolarHBondContact NE2-OD1 3.23Å; Q461-N465 WeakPolarHBondContact O-CB 3.46Å; Q461-N465 PolarHBondContact O-N 3.17Å; Q461-N465 PolarHBondContact O-ND2 3.45Å; Q461-N465 PolarHBondContact O-OD1 3.33Å; E462-N465 WeakPolarHBondContact O-CB 3.32Å; E462-N465 PolarHBondContact O-N 2.89Å; N465-C468 PolarHBondContact O-N 3.29Å; N465-Y469 VanDerWaalsContact O-CB 3.24Å; N465-Y469 WeakPolarHBondContact O-CB 3.26Å; N465-Y469 PolarHBondContact O-N 3.28Å; N465-A625 WeakPolarHBondContact OD1-CA 3.2Å; N465-R626 VanDerWaalsContact CG-O 3.3Å; N465-R626 PolarHBondContact ND2-O 3.3Å; N465-R626 PolarHBondContact OD1-N 2.89Å; N465-R626 PolarHBondContact OD1-O 3.2Å
466	E	96.8	Very high	93.8	Very high	53 Å²	53	35.4 Å²	35.4	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-68.6	-42.7	-177.6	-177.7	162.4	-147.4	0	0	112.9	F427 E462 I463 C468 N470 H501	F427-E466 HydrophobicContact CE2-CG 4.11Å; E462-E466 WeakPolarHBondContact O-CB 3.35Å; E462-E466 PolarHBondContact O-N 2.97Å; I463-E466 PolarHBondContact O-N 3.09Å; E466-C468 PolarHBondContact O-N 3.25Å; E466-N470 WeakPolarHBondContact O-CB 3.17Å; E466-N470 PolarHBondContact O-N 3.11Å; E466-N470 PolarHBondContact O-ND2 2.89Å; E466-H501 IonicContact OE1-NE2 3.21Å; E466-H501 IonicContact OE2-CE1 2.61Å; E466-H501 PolarHBondContact OE2-CE1 3.31Å; E466-H501 IonicContact OE2-NE2 2.69Å; E466-H501 PolarHBondContact OE2-NE2 2.58Å
467	I	95.8	Very high	94.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-54.6	-54.2	171.1	-72.4	163.9	0	0	0	109.7	F427 L453 L459 I463 N470 I471 Y496 L623	F427-I467 HydrophobicContact CZ-CB 4.36Å; F427-I467 HydrophobicContact CZ-CG1 3.8Å; L453-I467 HydrophobicContact CD1-CG2 3.91Å; L453-I467 HydrophobicContact CD2-CD1 4.26Å; L453-I467 HydrophobicContact CD2-CG2 3.79Å; L453-I467 HydrophobicContact CG-CG2 4.47Å; L459-I467 HydrophobicContact CD1-CD1 3.76Å; I463-I467 HydrophobicContact CG2-CD1 3.84Å; I463-I467 HydrophobicContact CG2-CG1 4.35Å; I463-I467 WeakPolarHBondContact O-CB 3.28Å; I463-I467 WeakPolarHBondContact O-CD1 3.41Å; I463-I467 VanDerWaalsContact O-CG1 3.25Å; I463-I467 WeakPolarHBondContact O-CG1 3.46Å; I463-I467 PolarHBondContact O-N 2.93Å; I467-N470 PolarHBondContact O-N 3.43Å; I467-I471 HydrophobicContact CG2-CG1 4.45Å; I467-I471 VanDerWaalsContact O-CG1 3.26Å; I467-I471 WeakPolarHBondContact O-CG1 3.36Å; I467-I471 PolarHBondContact O-N 3.31Å; I467-Y496 HydrophobicContact CD1-CD1 4.36Å; I467-Y496 HydrophobicContact CD1-CD2 4.02Å; I467-Y496 HydrophobicContact CD1-CE2 4.42Å; I467-Y496 HydrophobicContact CD1-CG 3.99Å; I467-Y496 HydrophobicContact CG1-CD2 4.13Å; I467-Y496 HydrophobicContact CG1-CE2 4.45Å; I467-L623 HydrophobicContact CG2-CD1 4.25Å
468	C	94.3	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-38	-174.5	-72.1	0	0	0	0	113.2	R464 N465 E466 I471 L472 C620 A625 F627	R464-C468 WeakPolarHBondContact O-CB 3.33Å; R464-C468 PolarHBondContact O-N 3.4Å; R464-C468 VanDerWaalsContact O-N 3.11Å; R464-C468 PolarHBondContact O-SG 3.26Å; R464-C468 VanDerWaalsContact O-SG 3.32Å; N465-C468 PolarHBondContact O-N 3.29Å; E466-C468 PolarHBondContact O-N 3.25Å; C468-I471 PolarHBondContact O-N 2.97Å; C468-L472 PolarHBondContact O-N 3.38Å; C468-C620 HydrophobicContact CB-CB 4.26Å; C468-C620 VanDerWaalsContact CB-SG 3.56Å; C468-A625 HydrophobicContact CB-CB 3.56Å; C468-F627 HydrophobicContact CB-CE1 3.54Å; C468-F627 HydrophobicContact CB-CZ 4.09Å
469	Y	95.3	Very high	94.6	Very high	36 Å²	36	28.8 Å²	28.8	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-51.1	172.3	-177.1	-88.2	0	0	0	110.7	N465 I471 L472 V473 F627 M632	N465-Y469 VanDerWaalsContact O-CB 3.24Å; N465-Y469 WeakPolarHBondContact O-CB 3.26Å; N465-Y469 PolarHBondContact O-N 3.28Å; Y469-I471 VanDerWaalsContact C-N 3.31Å; Y469-I471 PolarHBondContact O-N 2.96Å; Y469-L472 PolarHBondContact O-N 3.42Å; Y469-V473 HydrophobicContact CD1-CG2 3.95Å; Y469-V473 HydrophobicContact CE1-CG2 3.6Å; Y469-V473 WeakPolarHBondContact O-CG2 3.48Å; Y469-V473 PolarHBondContact O-N 3.33Å; Y469-F627 HydrophobicContact CD2-CB 4.4Å; Y469-F627 AromaticContact CD2-CD2 3.6Å; Y469-F627 HydrophobicContact CD2-CD2 3.6Å; Y469-F627 HydrophobicContact CD2-CE2 4.07Å; Y469-F627 HydrophobicContact CD2-CG 4.14Å; Y469-F627 HydrophobicContact CG-CD2 4.39Å; Y469-M632 HydrophobicContact CD1-CE 4.31Å; Y469-M632 HydrophobicContact CD2-CE 3.58Å; Y469-M632 HydrophobicContact CD2-SD 4.46Å; Y469-M632 HydrophobicContact CE1-CE 4.34Å; Y469-M632 HydrophobicContact CE2-CB 4.31Å; Y469-M632 HydrophobicContact CE2-CE 3.62Å; Y469-M632 HydrophobicContact CE2-SD 4.25Å; Y469-M632 HydrophobicContact CG-CE 3.94Å; Y469-M632 VanDerWaalsContact O-CE 3.25Å; Y469-M632 WeakPolarHBondContact O-CE 3.26Å
470	N	96.1	Very high	94.5	Very high	24 Å²	24	27.1 Å²	27.1	13%	0.128	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-36.4	178.2	-82.8	-82.4	0	0	0	112.5	F427 F428 E466 I467 V473 L474	F427-N470 HydrophobicContact CD1-CB 3.41Å; F427-N470 VanDerWaalsContact CD1-CB 3.41Å; F427-N470 VanDerWaalsContact CD1-CG 3.44Å; F427-N470 HydrophobicContact CE1-CB 3.6Å; F427-N470 HydrophobicContact CG-CB 4.13Å; F427-N470 HydrophobicContact CZ-CB 4.47Å; F428-N470 HydrophobicContact CE2-CB 3.86Å; F428-N470 WeakPolarHBondContact CE2-O 3.38Å; F428-N470 HydrophobicContact CZ-CB 3.84Å; E466-N470 WeakPolarHBondContact O-CB 3.17Å; E466-N470 PolarHBondContact O-N 3.11Å; E466-N470 PolarHBondContact O-ND2 2.89Å; I467-N470 PolarHBondContact O-N 3.43Å; N470-V473 PolarHBondContact O-N 2.92Å; N470-L474 WeakPolarHBondContact O-CB 3.18Å; N470-L474 PolarHBondContact O-N 3.18Å
471	I	94.2	Very high	94.3	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-39.9	175.8	-70.8	-69.9	0	0	0	111.9	F428 L453 I467 C468 Y469 L474 C475 W491 F494 I619	F428-I471 HydrophobicContact CE1-CD1 3.86Å; F428-I471 HydrophobicContact CZ-CD1 3.87Å; F428-I471 HydrophobicContact CZ-CG1 4.34Å; L453-I471 HydrophobicContact CD1-CD1 4.09Å; L453-I471 HydrophobicContact CD1-CG1 4.26Å; I467-I471 HydrophobicContact CG2-CG1 4.45Å; I467-I471 VanDerWaalsContact O-CG1 3.26Å; I467-I471 WeakPolarHBondContact O-CG1 3.36Å; I467-I471 PolarHBondContact O-N 3.31Å; C468-I471 PolarHBondContact O-N 2.97Å; Y469-I471 VanDerWaalsContact C-N 3.31Å; Y469-I471 PolarHBondContact O-N 2.96Å; I471-L474 PolarHBondContact O-N 3.46Å; I471-C475 WeakPolarHBondContact O-CB 3.31Å; I471-C475 PolarHBondContact O-N 3.46Å; I471-W491 HydrophobicContact CD1-CZ3 4.04Å; I471-W491 HydrophobicContact CG2-CH2 3.75Å; I471-W491 HydrophobicContact CG2-CZ3 3.84Å; I471-F494 HydrophobicContact CD1-CD1 3.75Å; I471-F494 HydrophobicContact CD1-CE1 3.81Å; I471-I619 HydrophobicContact CG2-CG2 4.28Å
472	L	92.3	Very high	94.3	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-71.7	-35.9	173.5	-73	-176.1	0	0	0	112.9	C468 Y469 L474 C475 L476 F578 F617 F627 M632	C468-L472 PolarHBondContact O-N 3.38Å; Y469-L472 PolarHBondContact O-N 3.42Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 2.89Å; L472-C475 PolarHBondContact O-N 3.19Å; L472-L476 WeakPolarHBondContact O-CG 2.92Å; L472-L476 PolarHBondContact O-N 3.07Å; L472-F578 HydrophobicContact CD1-CE1 4.16Å; L472-F578 HydrophobicContact CD1-CZ 3.66Å; L472-F617 HydrophobicContact CD2-CD2 3.98Å; L472-F617 HydrophobicContact CD2-CE2 4Å; L472-F627 HydrophobicContact CD1-CE2 3.92Å; L472-F627 HydrophobicContact CD1-CZ 3.8Å; L472-M632 HydrophobicContact CB-CE 3.67Å; L472-M632 HydrophobicContact CB-SD 4.24Å
473	V	94.4	Very high	94.2	Very high	34 Å²	34	19.4 Å²	19.4	21%	0.206	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-44.6	170.6	173.2	0	0	0	0	110.7	Y469 N470 L476 R477 M632	Y469-V473 HydrophobicContact CD1-CG2 3.95Å; Y469-V473 HydrophobicContact CE1-CG2 3.6Å; Y469-V473 WeakPolarHBondContact O-CG2 3.48Å; Y469-V473 PolarHBondContact O-N 3.33Å; N470-V473 PolarHBondContact O-N 2.92Å; V473-L476 PolarHBondContact O-N 3.03Å; V473-R477 HydrophobicContact CG1-CG 4.4Å; V473-R477 WeakPolarHBondContact O-CG 3.46Å; V473-R477 PolarHBondContact O-N 2.85Å; V473-M632 HydrophobicContact CG2-CB 4.29Å; V473-M632 HydrophobicContact CG2-CE 3.54Å
474	L	94.9	Very high	94.2	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-59.9	-48.2	176	-179.3	60.9	0	0	0	110.9	L422 F428 N470 I471 L472 L476 R477 E478 F482 L505	L422-L474 HydrophobicContact CD1-CD1 4.32Å; L422-L474 HydrophobicContact CD2-CD1 4.08Å; F428-L474 HydrophobicContact CD1-CD2 4.47Å; F428-L474 HydrophobicContact CD2-CD2 4.32Å; F428-L474 HydrophobicContact CE1-CD2 4.12Å; F428-L474 HydrophobicContact CE2-CB 3.79Å; F428-L474 HydrophobicContact CE2-CD2 3.98Å; F428-L474 HydrophobicContact CE2-CG 4.36Å; F428-L474 HydrophobicContact CZ-CB 4.11Å; F428-L474 HydrophobicContact CZ-CD2 3.87Å; N470-L474 WeakPolarHBondContact O-CB 3.18Å; N470-L474 PolarHBondContact O-N 3.18Å; I471-L474 PolarHBondContact O-N 3.46Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 2.89Å; L474-L476 VanDerWaalsContact C-N 3.32Å; L474-L476 PolarHBondContact O-N 2.95Å; L474-R477 PolarHBondContact O-N 3.35Å; L474-R477 VanDerWaalsContact O-N 3.12Å; L474-E478 HydrophobicContact CD1-CG 4.2Å; L474-E478 HydrophobicContact CG-CG 4.31Å; L474-E478 WeakPolarHBondContact O-CB 3.46Å; L474-E478 VanDerWaalsContact O-CG 3.29Å; L474-E478 WeakPolarHBondContact O-CG 3.41Å; L474-E478 PolarHBondContact O-N 2.79Å; L474-F482 HydrophobicContact CD1-CE2 4.21Å; L474-L505 HydrophobicContact CD2-CD1 4.03Å; L474-L505 HydrophobicContact CD2-CD2 4.45Å
475	C	92.7	Very high	94	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.02	8%	0.079	C	C	.	.	H	α-helix	trans	-57.5	-40.3	178.4	-168.8	0	0	0	0	112.9	I471 L472 E478 M485	I471-C475 WeakPolarHBondContact O-CB 3.31Å; I471-C475 PolarHBondContact O-N 3.46Å; L472-C475 PolarHBondContact O-N 3.19Å; C475-E478 WeakPolarHBondContact CA-OE2 3.36Å; C475-M485 WeakPolarHBondContact O-CE 3.43Å; C475-M485 VanDerWaalsContact SG-CE 3.55Å
476	L	92.3	Very high	93.8	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-71	-39	175	-68	173.1	0	0	0	112.6	L472 V473 L474 L479 F480 F570 M632 F633 A636	L472-L476 WeakPolarHBondContact O-CG 2.92Å; L472-L476 PolarHBondContact O-N 3.07Å; V473-L476 PolarHBondContact O-N 3.03Å; L474-L476 VanDerWaalsContact C-N 3.32Å; L474-L476 PolarHBondContact O-N 2.95Å; L476-L479 PolarHBondContact O-N 2.89Å; L476-F480 HydrophobicContact CB-CD2 4.45Å; L476-F480 HydrophobicContact CD2-CD2 4.16Å; L476-F480 HydrophobicContact CD2-CE2 3.79Å; L476-F480 WeakPolarHBondContact O-CB 3.35Å; L476-F480 WeakPolarHBondContact O-CD2 3.3Å; L476-F480 PolarHBondContact O-N 3.15Å; L476-F570 HydrophobicContact CD1-CE1 4.47Å; L476-F570 HydrophobicContact CD2-CZ 4.5Å; L476-M632 HydrophobicContact CD1-CG 3.7Å; L476-F633 HydrophobicContact CD2-CD2 4.39Å; L476-A636 HydrophobicContact CB-CB 4.18Å; L476-A636 HydrophobicContact CD1-CB 4.31Å
477	R	94.3	Very high	93	Very high	39 Å²	39	13.4 Å²	13.4	15%	0.147	6%	0.063	C	C	.	.	H	α-helix	trans	-70.3	-38.7	177.4	-71.8	177.6	69.3	-146.8	-2.9	112.1	H425 V473 L474 L479 E481 F482	H425-R477 PolarHBondContact NE2-NH1 3.39Å; V473-R477 HydrophobicContact CG1-CG 4.4Å; V473-R477 WeakPolarHBondContact O-CG 3.46Å; V473-R477 PolarHBondContact O-N 2.85Å; L474-R477 PolarHBondContact O-N 3.35Å; L474-R477 VanDerWaalsContact O-N 3.12Å; R477-L479 PolarHBondContact O-N 2.79Å; R477-E481 HydrophobicContact CB-CB 4.17Å; R477-E481 HydrophobicContact CG-CB 4.48Å; R477-E481 IonicContact CZ-OE1 2.71Å; R477-E481 IonicContact NE-OE1 3.58Å; R477-E481 PolarHBondContact NE-OE1 2.88Å; R477-E481 IonicContact NE-OE2 2.63Å; R477-E481 IonicContact NH2-OE1 2.68Å; R477-E481 PolarHBondContact NH2-OE1 3.38Å; R477-E481 CarbonylContact O-C 3.47Å; R477-E481 WeakPolarHBondContact O-CA 3.41Å; R477-E481 VanDerWaalsContact O-CB 3.22Å; R477-E481 WeakPolarHBondContact O-CB 3.42Å; R477-E481 PolarHBondContact O-N 3.3Å; R477-F482 HydrophobicContact CB-CE1 4.46Å; R477-F482 HydrophobicContact CB-CE2 4.19Å; R477-F482 HydrophobicContact CB-CZ 4.08Å; R477-F482 PolarHBondContact O-N 3.18Å
478	E	94.3	Very high	92.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-52.3	-41.2	172.6	-79.2	177.2	104.9	0	0	112.3	F418 L474 C475 F482 H483 F484 M485 Q486 K612	F418-E478 HydrophobicContact CE1-CG 4.08Å; F418-E478 HydrophobicContact CZ-CG 4.14Å; L474-E478 HydrophobicContact CD1-CG 4.2Å; L474-E478 HydrophobicContact CG-CG 4.31Å; L474-E478 WeakPolarHBondContact O-CB 3.46Å; L474-E478 VanDerWaalsContact O-CG 3.29Å; L474-E478 WeakPolarHBondContact O-CG 3.41Å; L474-E478 PolarHBondContact O-N 2.79Å; C475-E478 WeakPolarHBondContact CA-OE2 3.36Å; E478-F482 HydrophobicContact CG-CD2 4.19Å; E478-H483 CarbonylContact O-C 3.49Å; E478-H483 WeakPolarHBondContact O-CA 3.01Å; E478-H483 PolarHBondContact O-N 3.41Å; E478-H483 VanDerWaalsContact O-N 3.1Å; E478-F484 WeakPolarHBondContact CA-O 3.23Å; E478-F484 CarbonylContact O-C 3.53Å; E478-F484 PolarHBondContact O-N 2.88Å; E478-M485 HydrophobicContact CB-CB 3.88Å; E478-M485 HydrophobicContact CB-CE 3.95Å; E478-M485 HydrophobicContact CB-CG 4.04Å; E478-M485 WeakPolarHBondContact OE1-CA 3.36Å; E478-Q486 WeakPolarHBondContact OE1-CB 3.44Å; E478-Q486 PolarHBondContact OE1-N 3.16Å; E478-K612 IonicContact OE1-NZ 3.29Å; E478-K612 PolarHBondContact OE1-NZ 2.91Å; E478-K612 WeakPolarHBondContact OE2-CE 3.31Å; E478-K612 IonicContact OE2-NZ 2.75Å; E478-K612 PolarHBondContact OE2-NZ 3.38Å
479	L	90.6	Very high	90.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-81.3	-56.7	178.2	-62.8	172.7	0	0	0	113	L476 R477 M485 Y514 Y522 L609 M613	L476-L479 PolarHBondContact O-N 2.89Å; R477-L479 PolarHBondContact O-N 2.79Å; L479-M485 HydrophobicContact CD1-CE 3.94Å; L479-M485 HydrophobicContact CD2-CE 3.78Å; L479-M485 HydrophobicContact CD2-SD 3.73Å; L479-M485 HydrophobicContact CG-CE 3.57Å; L479-M485 HydrophobicContact CG-SD 4.24Å; L479-Y514 HydrophobicContact CD2-CD2 4.49Å; L479-Y522 HydrophobicContact CD1-CE1 4.28Å; L479-L609 HydrophobicContact CD1-CD1 3.56Å; L479-L609 HydrophobicContact CD2-CD1 3.34Å; L479-L609 HydrophobicContact CG-CD1 4.08Å; L479-M613 HydrophobicContact CD1-CE 4.09Å
480	F	91.8	Very high	89.8	Confident	3 Å²	3	12.4 Å²	12.4	1%	0.013	6%	0.06	C	C	.	.	H	α-helix	trans	-99.3	-0.3	-163.6	-52.6	-51.2	0	0	0	113.5	L476 Y522 I523 Y640 R643	L476-F480 HydrophobicContact CB-CD2 4.45Å; L476-F480 HydrophobicContact CD2-CD2 4.16Å; L476-F480 HydrophobicContact CD2-CE2 3.79Å; L476-F480 WeakPolarHBondContact O-CB 3.35Å; L476-F480 WeakPolarHBondContact O-CD2 3.3Å; L476-F480 PolarHBondContact O-N 3.15Å; F480-Y522 HydrophobicContact CE1-CD1 4.29Å; F480-Y522 HydrophobicContact CZ-CD1 4.01Å; F480-I523 HydrophobicContact CB-CD1 4.36Å; F480-I523 HydrophobicContact CD1-CB 4Å; F480-I523 HydrophobicContact CD1-CD1 3.78Å; F480-I523 HydrophobicContact CD1-CG1 3.97Å; F480-I523 HydrophobicContact CD2-CD1 4.1Å; F480-I523 HydrophobicContact CD2-CG1 4.36Å; F480-I523 HydrophobicContact CE1-CB 3.55Å; F480-I523 HydrophobicContact CE1-CD1 4.07Å; F480-I523 HydrophobicContact CE1-CG1 3.71Å; F480-I523 HydrophobicContact CE2-CD1 4.35Å; F480-I523 HydrophobicContact CE2-CG1 4.11Å; F480-I523 HydrophobicContact CG-CD1 3.81Å; F480-I523 HydrophobicContact CG-CG1 4.31Å; F480-I523 HydrophobicContact CZ-CB 3.99Å; F480-I523 HydrophobicContact CZ-CD1 4.34Å; F480-I523 HydrophobicContact CZ-CG1 3.77Å; F480-Y640 HydrophobicContact CB-CD2 3.66Å; F480-Y640 HydrophobicContact CB-CE2 4.23Å; F480-Y640 HydrophobicContact CB-CG 4.42Å; F480-Y640 HydrophobicContact CD1-CD2 4.24Å; F480-Y640 HydrophobicContact CD1-CE2 4.18Å; F480-Y640 HydrophobicContact CG-CD2 4.35Å; F480-Y640 VanDerWaalsContact O-CD2 3.3Å; F480-Y640 WeakPolarHBondContact O-CD2 3.42Å; F480-R643 PolarHBondContact O-NH1 2.9Å
481	E	93.4	Very high	89.1	Confident	58 Å²	58	12.3 Å²	12.3	27%	0.271	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-59.8	175.6	-172.4	166.8	116.7	0	0	111	R477 H483 R643	R477-E481 HydrophobicContact CB-CB 4.17Å; R477-E481 HydrophobicContact CG-CB 4.48Å; R477-E481 IonicContact CZ-OE1 2.71Å; R477-E481 IonicContact NE-OE1 3.58Å; R477-E481 PolarHBondContact NE-OE1 2.88Å; R477-E481 IonicContact NE-OE2 2.63Å; R477-E481 IonicContact NH2-OE1 2.68Å; R477-E481 PolarHBondContact NH2-OE1 3.38Å; R477-E481 CarbonylContact O-C 3.47Å; R477-E481 WeakPolarHBondContact O-CA 3.41Å; R477-E481 VanDerWaalsContact O-CB 3.22Å; R477-E481 WeakPolarHBondContact O-CB 3.42Å; R477-E481 PolarHBondContact O-N 3.3Å; E481-H483 PolarHBondContact O-ND1 3.28Å; E481-R643 VanDerWaalsContact CD-NH2 3.33Å; E481-R643 IonicContact OE2-CZ 3.13Å; E481-R643 IonicContact OE2-NH1 3.51Å; E481-R643 IonicContact OE2-NH2 3.17Å; E481-R643 PolarHBondContact OE2-NH2 3.07Å
482	F	94.7	Very high	88.3	Confident	23 Å²	23	13.2 Å²	13.2	10%	0.101	7%	0.065	C	C	.	.	S	Bend	trans	-78.4	-25.4	-176.1	-49.7	-25.2	0	0	0	112.7	F418 L421 L422 L474 R477 E478 F484	F418-F482 HydrophobicContact CE1-CD2 4.16Å; F418-F482 HydrophobicContact CE1-CE2 4.43Å; L421-F482 HydrophobicContact CB-CD1 4.36Å; L421-F482 HydrophobicContact CB-CE1 4.22Å; L421-F482 HydrophobicContact CB-CE2 4.43Å; L421-F482 HydrophobicContact CB-CZ 4.26Å; L421-F482 HydrophobicContact CD1-CB 3.98Å; L421-F482 HydrophobicContact CD1-CD1 4.32Å; L421-F482 HydrophobicContact CD1-CD2 4.19Å; L421-F482 HydrophobicContact CD1-CG 3.92Å; L421-F482 HydrophobicContact CD2-CD1 3.77Å; L421-F482 HydrophobicContact CD2-CE1 4.23Å; L421-F482 HydrophobicContact CD2-CG 4.2Å; L421-F482 HydrophobicContact CG-CD1 4.37Å; L421-F482 HydrophobicContact CG-CG 4.46Å; L422-F482 HydrophobicContact CD2-CE2 4.23Å; L422-F482 HydrophobicContact CD2-CZ 4.06Å; L474-F482 HydrophobicContact CD1-CE2 4.21Å; R477-F482 HydrophobicContact CB-CE1 4.46Å; R477-F482 HydrophobicContact CB-CE2 4.19Å; R477-F482 HydrophobicContact CB-CZ 4.08Å; R477-F482 PolarHBondContact O-N 3.18Å; E478-F482 HydrophobicContact CG-CD2 4.19Å; F482-F484 HydrophobicContact CB-CB 3.95Å; F482-F484 WeakPolarHBondContact O-CB 3.22Å; F482-F484 PolarHBondContact O-N 2.98Å
483	H	94.1	Very high	88	Confident	33 Å²	33	14 Å²	14	15%	0.153	7%	0.069	C	C	.	.	S	Bend	trans	51.3	31.9	-168.5	-55.2	69.9	0	0	0	111.3	E478 E481 E513 Y514 T519 Y640	E478-H483 CarbonylContact O-C 3.49Å; E478-H483 WeakPolarHBondContact O-CA 3.01Å; E478-H483 PolarHBondContact O-N 3.41Å; E478-H483 VanDerWaalsContact O-N 3.1Å; E481-H483 PolarHBondContact O-ND1 3.28Å; H483-E513 WeakPolarHBondContact O-CA 3.09Å; H483-Y514 PolarHBondContact O-N 2.9Å; H483-T519 PolarHBondContact CD2-OG1 3.46Å; H483-Y640 AromaticContact NE2-CE2 3.66Å
484	F	94.8	Very high	87.9	Confident	7 Å²	7	12.5 Å²	12.5	3%	0.031	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	109.3	-166.6	-171.2	-125.1	0	0	0	108.1	C414 K417 F418 L421 E478 F482 T511 R512 E513	C414-F484 HydrophobicContact CB-CZ 3.97Å; K417-F484 HydrophobicContact CB-CE1 3.86Å; K417-F484 HydrophobicContact CB-CZ 4.23Å; K417-F484 HydrophobicContact CD-CD1 3.95Å; K417-F484 HydrophobicContact CD-CE1 3.54Å; K417-F484 HydrophobicContact CD-CE2 4.13Å; K417-F484 HydrophobicContact CD-CG 4.4Å; K417-F484 HydrophobicContact CD-CZ 3.61Å; K417-F484 HydrophobicContact CG-CD1 3.98Å; K417-F484 HydrophobicContact CG-CE1 3.53Å; K417-F484 HydrophobicContact CG-CZ 4.06Å; F418-F484 AromaticContact CD2-CD1 3.81Å; F418-F484 HydrophobicContact CD2-CD1 3.81Å; F418-F484 AromaticContact CD2-CE1 3.49Å; F418-F484 HydrophobicContact CD2-CE1 3.49Å; F418-F484 VanDerWaalsContact CD2-CE1 3.49Å; F418-F484 HydrophobicContact CD2-CZ 4.46Å; F418-F484 AromaticContact CE2-CD1 3.57Å; F418-F484 HydrophobicContact CE2-CD1 3.57Å; F418-F484 AromaticContact CE2-CE1 3.6Å; F418-F484 HydrophobicContact CE2-CE1 3.6Å; F418-F484 HydrophobicContact CE2-CG 4.4Å; F418-F484 HydrophobicContact CE2-CZ 4.48Å; F418-F484 HydrophobicContact CG-CD1 4.42Å; F418-F484 HydrophobicContact CG-CE1 4.26Å; F418-F484 AromaticContact CZ-CD1 3.96Å; F418-F484 HydrophobicContact CZ-CD1 3.96Å; F418-F484 HydrophobicContact CZ-CE1 4.43Å; F418-F484 WeakPolarHBondContact CZ-O 3.33Å; L421-F484 HydrophobicContact CD1-CD1 3.89Å; E478-F484 WeakPolarHBondContact CA-O 3.23Å; E478-F484 CarbonylContact O-C 3.53Å; E478-F484 PolarHBondContact O-N 2.88Å; F482-F484 HydrophobicContact CB-CB 3.95Å; F482-F484 WeakPolarHBondContact O-CB 3.22Å; F482-F484 PolarHBondContact O-N 2.98Å; F484-T511 HydrophobicContact CD1-CG2 4.25Å; F484-T511 HydrophobicContact CD2-CG2 3.72Å; F484-T511 HydrophobicContact CE1-CG2 3.84Å; F484-T511 HydrophobicContact CE2-CG2 3.32Å; F484-T511 HydrophobicContact CG-CG2 4.22Å; F484-T511 HydrophobicContact CZ-CG2 3.4Å; F484-R512 WeakPolarHBondContact CA-O 3.5Å; F484-E513 HydrophobicContact CD2-CG 3.38Å; F484-E513 HydrophobicContact CE2-CG 3.81Å; F484-E513 HydrophobicContact CG-CG 4.43Å
485	M	92.3	Very high	87.7	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.9	-169.8	177.8	174.6	-105.1	0	0	111.2	C475 E478 L479 T487 T511 R512 Y514 L609 K612	C475-M485 WeakPolarHBondContact O-CE 3.43Å; C475-M485 VanDerWaalsContact SG-CE 3.55Å; E478-M485 HydrophobicContact CB-CB 3.88Å; E478-M485 HydrophobicContact CB-CE 3.95Å; E478-M485 HydrophobicContact CB-CG 4.04Å; E478-M485 WeakPolarHBondContact OE1-CA 3.36Å; L479-M485 HydrophobicContact CD1-CE 3.94Å; L479-M485 HydrophobicContact CD2-CE 3.78Å; L479-M485 HydrophobicContact CD2-SD 3.73Å; L479-M485 HydrophobicContact CG-CE 3.57Å; L479-M485 HydrophobicContact CG-SD 4.24Å; M485-T487 HydrophobicContact CB-CG2 4.29Å; M485-T487 HydrophobicContact CG-CG2 3.99Å; M485-T487 PolarHBondContact O-N 3.16Å; M485-T487 HydrophobicContact SD-CG2 4.35Å; M485-T511 CarbonylContact O-C 3.53Å; M485-T511 VanDerWaalsContact O-CA 3.28Å; M485-T511 WeakPolarHBondContact O-CA 3.33Å; M485-R512 PolarHBondContact N-O 3.07Å; M485-R512 PolarHBondContact O-N 2.8Å; M485-Y514 HydrophobicContact CB-CD2 4.38Å; M485-Y514 HydrophobicContact CB-CE2 4.02Å; M485-L609 HydrophobicContact SD-CD1 4.43Å; M485-K612 HydrophobicContact CE-CB 4.31Å; M485-K612 HydrophobicContact CE-CG 3.57Å; M485-K612 HydrophobicContact CG-CG 4.01Å; M485-K612 HydrophobicContact SD-CB 3.8Å; M485-K612 HydrophobicContact SD-CG 3.57Å; M485-K612 VanDerWaalsContact SD-CG 3.57Å
486	Q	90.1	Very high	87.9	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	104.9	162	-177.7	-162.9	14.6	0	0	107.8	F418 E478 D507 K612	F418-Q486 HydrophobicContact CE2-CB 4.28Å; F418-Q486 HydrophobicContact CZ-CB 4.27Å; E478-Q486 WeakPolarHBondContact OE1-CB 3.44Å; E478-Q486 PolarHBondContact OE1-N 3.16Å; Q486-D507 PolarHBondContact NE2-O 2.92Å; Q486-K612 WeakPolarHBondContact O-CD 3.45Å; Q486-K612 WeakPolarHBondContact O-CG 3.42Å; Q486-K612 PolarHBondContact O-NZ 3.23Å
487	T	81.2	Confident	88	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.			trans	-91.5	0.7	-173.8	74.9	0	0	0	0	114.3	M485 P489 A510 R512 Y514	M485-T487 HydrophobicContact CB-CG2 4.29Å; M485-T487 HydrophobicContact CG-CG2 3.99Å; M485-T487 PolarHBondContact O-N 3.16Å; M485-T487 HydrophobicContact SD-CG2 4.35Å; T487-P489 VanDerWaalsContact O-CD 3.27Å; T487-P489 WeakPolarHBondContact O-CD 3.5Å; T487-A510 WeakPolarHBondContact CA-O 3.45Å; T487-A510 WeakPolarHBondContact CB-O 3.32Å; T487-A510 PolarHBondContact N-O 3.05Å; T487-A510 PolarHBondContact OG1-O 3.39Å; T487-R512 HydrophobicContact CG2-CB 4.17Å; T487-R512 HydrophobicContact CG2-CG 4.37Å; T487-Y514 HydrophobicContact CG2-CE2 4.19Å
488	D	75.4	Confident	87.8	Confident	5 Å²	5	14.2 Å²	14.2	3%	0.027	8%	0.075	C	C	.	.			trans	-78.8	117.3	172.5	-164.2	57.2	0	0	0	110.5	K276 N490 N493 A510	K276-D488 IonicContact NZ-OD1 2.89Å; K276-D488 PolarHBondContact NZ-OD1 2.83Å; D488-N490 VanDerWaalsContact C-N 3.28Å; D488-N490 PolarHBondContact O-N 3.09Å; D488-N490 WeakPolarHBondContact OD2-CB 3.41Å; D488-N493 PolarHBondContact OD2-ND2 3.42Å; D488-A510 HydrophobicContact CB-CB 4.03Å
489	P	64.9	Low	87.7	Confident	4 Å²	4	20 Å²	20	3%	0.026	10%	0.102	C	C	.	.			trans	-91.9	24.9	-178.6	1.8	19.4	0	0	0	112.8	I283 T487 W491 R611	I283-P489 HydrophobicContact CD1-CB 3.98Å; I283-P489 HydrophobicContact CD1-CG 4.04Å; I283-P489 HydrophobicContact CG2-CB 3.88Å; I283-P489 HydrophobicContact CG2-CG 4.02Å; T487-P489 VanDerWaalsContact O-CD 3.27Å; T487-P489 WeakPolarHBondContact O-CD 3.5Å; P489-W491 HydrophobicContact CB-CZ2 4.48Å; P489-W491 PolarHBondContact O-N 3.46Å; P489-W491 VanDerWaalsContact O-N 3.11Å; P489-W491 PolarHBondContact O-NE1 3.03Å; P489-R611 HydrophobicContact CG-CB 3.96Å; P489-R611 WeakPolarHBondContact CG-O 3.15Å
490	N	77.6	Confident	87.8	Confident	8 Å²	8	25 Å²	25	4%	0.043	13%	0.125	C	C	.	.			trans	-80.4	91.1	-178.4	-177.1	30.2	0	0	0	111.3	Q279 R301 D488 S492 N493	Q279-N490 PolarHBondContact NE2-ND2 3.45Å; Q279-N490 VanDerWaalsContact NE2-ND2 3.16Å; R301-N490 PolarHBondContact NH2-OD1 2.83Å; D488-N490 VanDerWaalsContact C-N 3.28Å; D488-N490 PolarHBondContact O-N 3.09Å; D488-N490 WeakPolarHBondContact OD2-CB 3.41Å; N490-S492 PolarHBondContact ND2-OG 2.86Å; N490-S492 PolarHBondContact O-N 3.22Å; N490-S492 PolarHBondContact OD1-OG 3.47Å; N490-S492 VanDerWaalsContact OD1-OG 3.08Å; N490-N493 VanDerWaalsContact ND2-CG 3.29Å; N490-N493 PolarHBondContact ND2-ND2 3.46Å; N490-N493 PolarHBondContact ND2-OD1 3.01Å; N490-N493 WeakPolarHBondContact O-CB 3.45Å; N490-N493 PolarHBondContact O-N 2.87Å
491	W	81.2	Confident	88	Confident	21 Å²	21	27.7 Å²	27.7	8%	0.08	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-64.5	-4.1	-176	-54.5	111.8	0	0	0	115.8	L453 D454 I471 P489 N493 F494 K612 G615 I619	L453-W491 HydrophobicContact CB-CB 4.39Å; L453-W491 PolarHBondContact N-O 2.94Å; D454-W491 HydrophobicContact CB-CB 4.38Å; I471-W491 HydrophobicContact CD1-CZ3 4.04Å; I471-W491 HydrophobicContact CG2-CH2 3.75Å; I471-W491 HydrophobicContact CG2-CZ3 3.84Å; P489-W491 HydrophobicContact CB-CZ2 4.48Å; P489-W491 PolarHBondContact O-N 3.46Å; P489-W491 VanDerWaalsContact O-N 3.11Å; P489-W491 PolarHBondContact O-NE1 3.03Å; W491-N493 VanDerWaalsContact C-N 3.27Å; W491-F494 HydrophobicContact CE3-CD1 4.12Å; W491-F494 AromaticContact CE3-CD2 3.66Å; W491-F494 HydrophobicContact CE3-CD2 3.66Å; W491-F494 HydrophobicContact CE3-CE1 4.1Å; W491-F494 AromaticContact CE3-CE2 3.66Å; W491-F494 HydrophobicContact CE3-CE2 3.66Å; W491-F494 AromaticContact CE3-CG 3.92Å; W491-F494 HydrophobicContact CE3-CG 3.92Å; W491-F494 AromaticContact CE3-CZ 3.88Å; W491-F494 HydrophobicContact CE3-CZ 3.88Å; W491-F494 HydrophobicContact CH2-CZ 4.28Å; W491-F494 HydrophobicContact CZ3-CD1 4.02Å; W491-F494 HydrophobicContact CZ3-CD2 4.08Å; W491-F494 AromaticContact CZ3-CE1 3.59Å; W491-F494 HydrophobicContact CZ3-CE1 3.59Å; W491-F494 AromaticContact CZ3-CE2 3.66Å; W491-F494 HydrophobicContact CZ3-CE2 3.66Å; W491-F494 HydrophobicContact CZ3-CG 4.26Å; W491-F494 AromaticContact CZ3-CZ 3.4Å; W491-F494 HydrophobicContact CZ3-CZ 3.4Å; W491-K612 HydrophobicContact CH2-CD 4.28Å; W491-G615 WeakPolarHBondContact CZ2-O 3.25Å; W491-G615 PolarHBondContact NE1-O 2.89Å; W491-I619 HydrophobicContact CB-CD1 4.04Å; W491-I619 HydrophobicContact CB-CG1 4.33Å; W491-I619 HydrophobicContact CD2-CB 3.99Å; W491-I619 HydrophobicContact CD2-CG1 4.16Å; W491-I619 HydrophobicContact CD2-CG2 3.92Å; W491-I619 HydrophobicContact CE3-CG2 4.37Å; W491-I619 HydrophobicContact CG-CB 3.92Å; W491-I619 HydrophobicContact CG-CD1 4.01Å; W491-I619 HydrophobicContact CG-CG1 3.92Å; W491-I619 HydrophobicContact CG-CG2 4.4Å; W491-I619 HydrophobicContact CH2-CG2 4.31Å; W491-I619 HydrophobicContact CZ2-CG2 3.86Å
492	S	77.8	Confident	88.1	Confident	22 Å²	22	27.3 Å²	27.3	15%	0.154	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-78.1	-9.5	165.9	70.5	0	0	0	0	114.6	R301 N490 F494 F495	R301-S492 PolarHBondContact NH2-OG 3.24Å; N490-S492 PolarHBondContact ND2-OG 2.86Å; N490-S492 PolarHBondContact O-N 3.22Å; N490-S492 PolarHBondContact OD1-OG 3.47Å; N490-S492 VanDerWaalsContact OD1-OG 3.08Å; S492-F494 VanDerWaalsContact C-N 3.26Å; S492-F495 VanDerWaalsContact O-CE2 3.26Å; S492-F495 WeakPolarHBondContact O-CE2 3.33Å; S492-F495 WeakPolarHBondContact O-CZ 3.39Å
493	N	86.1	Confident	88.2	Confident	22 Å²	22	26.2 Å²	26.2	12%	0.118	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-89.6	6.7	174.6	-66.3	-14.9	0	0	0	112.1	D488 N490 W491 L506 D507	D488-N493 PolarHBondContact OD2-ND2 3.42Å; N490-N493 VanDerWaalsContact ND2-CG 3.29Å; N490-N493 PolarHBondContact ND2-ND2 3.46Å; N490-N493 PolarHBondContact ND2-OD1 3.01Å; N490-N493 WeakPolarHBondContact O-CB 3.45Å; N490-N493 PolarHBondContact O-N 2.87Å; W491-N493 VanDerWaalsContact C-N 3.27Å; N493-L506 PolarHBondContact O-N 3.2Å; N493-D507 HydrophobicContact CB-CB 3.73Å; N493-D507 WeakPolarHBondContact ND2-CB 3.39Å; N493-D507 PolarHBondContact ND2-OD2 3.01Å
494	F	91.1	Very high	88.2	Confident	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.3	178.6	-67.5	-114	0	0	0	108.5	P452 L453 I471 W491 S492 V503 A504 L505	P452-F494 CarbonylContact C-O 3.51Å; P452-F494 WeakPolarHBondContact CA-O 3.31Å; L453-F494 HydrophobicContact CB-CB 4.3Å; L453-F494 HydrophobicContact CD1-CB 3.58Å; L453-F494 HydrophobicContact CD1-CD1 4.31Å; L453-F494 HydrophobicContact CD1-CG 4.23Å; L453-F494 HydrophobicContact CG-CB 3.66Å; L453-F494 PolarHBondContact N-O 3.26Å; I471-F494 HydrophobicContact CD1-CD1 3.75Å; I471-F494 HydrophobicContact CD1-CE1 3.81Å; W491-F494 HydrophobicContact CE3-CD1 4.12Å; W491-F494 AromaticContact CE3-CD2 3.66Å; W491-F494 HydrophobicContact CE3-CD2 3.66Å; W491-F494 HydrophobicContact CE3-CE1 4.1Å; W491-F494 AromaticContact CE3-CE2 3.66Å; W491-F494 HydrophobicContact CE3-CE2 3.66Å; W491-F494 AromaticContact CE3-CG 3.92Å; W491-F494 HydrophobicContact CE3-CG 3.92Å; W491-F494 AromaticContact CE3-CZ 3.88Å; W491-F494 HydrophobicContact CE3-CZ 3.88Å; W491-F494 HydrophobicContact CH2-CZ 4.28Å; W491-F494 HydrophobicContact CZ3-CD1 4.02Å; W491-F494 HydrophobicContact CZ3-CD2 4.08Å; W491-F494 AromaticContact CZ3-CE1 3.59Å; W491-F494 HydrophobicContact CZ3-CE1 3.59Å; W491-F494 AromaticContact CZ3-CE2 3.66Å; W491-F494 HydrophobicContact CZ3-CE2 3.66Å; W491-F494 HydrophobicContact CZ3-CG 4.26Å; W491-F494 AromaticContact CZ3-CZ 3.4Å; W491-F494 HydrophobicContact CZ3-CZ 3.4Å; S492-F494 VanDerWaalsContact C-N 3.26Å; F494-V503 HydrophobicContact CB-CG1 4.11Å; F494-V503 HydrophobicContact CD1-CG1 4.21Å; F494-A504 WeakPolarHBondContact CA-O 3.44Å; F494-L505 HydrophobicContact CD1-CD2 3.28Å; F494-L505 HydrophobicContact CE1-CD2 3.38Å; F494-L505 HydrophobicContact CG-CD2 4.22Å; F494-L505 HydrophobicContact CZ-CD2 4.37Å
495	F	92.4	Very high	88.2	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.026	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.2	-171	-69.1	-104.5	0	0	0	111.8	Q195 V448 F451 P452 S492 V503 A504 L506	Q195-F495 HydrophobicContact CG-CE1 3.81Å; Q195-F495 HydrophobicContact CG-CZ 4.32Å; V448-F495 HydrophobicContact CG2-CD1 4.49Å; V448-F495 HydrophobicContact CG2-CD2 4.29Å; V448-F495 HydrophobicContact CG2-CG 4.2Å; F451-F495 CarbonylContact O-C 3.45Å; F451-F495 WeakPolarHBondContact O-CA 3.23Å; P452-F495 HydrophobicContact CG-CE1 4.06Å; S492-F495 VanDerWaalsContact O-CE2 3.26Å; S492-F495 WeakPolarHBondContact O-CE2 3.33Å; S492-F495 WeakPolarHBondContact O-CZ 3.39Å; F495-V503 CarbonylContact O-C 3.58Å; F495-V503 VanDerWaalsContact O-CA 3.24Å; F495-V503 WeakPolarHBondContact O-CA 3.27Å; F495-A504 HydrophobicContact CB-CB 4.09Å; F495-A504 PolarHBondContact N-O 3.1Å; F495-A504 PolarHBondContact O-N 3.42Å; F495-L506 HydrophobicContact CD2-CD1 3.92Å; F495-L506 HydrophobicContact CD2-CG 3.98Å; F495-L506 HydrophobicContact CE2-CD1 3.34Å; F495-L506 HydrophobicContact CE2-CG 3.83Å; F495-L506 HydrophobicContact CZ-CD1 3.98Å
496	Y	95.3	Very high	88.2	Confident	9 Å²	9	26.4 Å²	26.4	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.9	172.6	178.2	-107.3	0	0	0	110.7	F427 G450 F451 L459 I463 I467 P498 H501 K502 V503	F427-Y496 HydrophobicContact CE2-CE2 4.45Å; G450-Y496 CarbonylContact C-O 3.51Å; G450-Y496 WeakPolarHBondContact CA-O 3.42Å; F451-Y496 HydrophobicContact CE1-CD1 4.38Å; F451-Y496 HydrophobicContact CE2-CD1 4.26Å; F451-Y496 AromaticContact CZ-CD1 3.81Å; F451-Y496 HydrophobicContact CZ-CD1 3.81Å; F451-Y496 PolarHBondContact N-O 2.74Å; F451-Y496 PolarHBondContact O-N 2.87Å; L459-Y496 HydrophobicContact CD1-CD1 3.82Å; L459-Y496 HydrophobicContact CD1-CE1 3.92Å; L459-Y496 HydrophobicContact CD2-CE1 4.42Å; I463-Y496 HydrophobicContact CG2-CE1 3.94Å; I463-Y496 HydrophobicContact CG2-CE2 4.26Å; I467-Y496 HydrophobicContact CD1-CD1 4.36Å; I467-Y496 HydrophobicContact CD1-CD2 4.02Å; I467-Y496 HydrophobicContact CD1-CE2 4.42Å; I467-Y496 HydrophobicContact CD1-CG 3.99Å; I467-Y496 HydrophobicContact CG1-CD2 4.13Å; I467-Y496 HydrophobicContact CG1-CE2 4.45Å; Y496-P498 HydrophobicContact CD1-CG 3.97Å; Y496-P498 HydrophobicContact CE1-CB 3.88Å; Y496-P498 HydrophobicContact CE1-CG 3.77Å; Y496-P498 WeakPolarHBondContact O-CD 3.4Å; Y496-H501 AromaticContact CE2-ND1 3.85Å; Y496-H501 AromaticContact CZ-ND1 3.86Å; Y496-H501 PolarHBondContact OH-ND1 3.18Å; Y496-K502 WeakPolarHBondContact CA-O 3.23Å; Y496-V503 HydrophobicContact CD2-CG2 4.01Å
497	D	94.7	Very high	88.1	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112	169.6	-171.3	-49.6	0	0	0	109.7	S449 Q499 Q500 H501 K502	S449-D497 VanDerWaalsContact CB-OD2 3.24Å; S449-D497 WeakPolarHBondContact CB-OD2 3.47Å; S449-D497 PolarHBondContact OG-OD2 2.92Å; D497-Q499 VanDerWaalsContact C-N 3.26Å; D497-Q499 PolarHBondContact O-N 2.88Å; D497-Q499 WeakPolarHBondContact OD1-CA 3.42Å; D497-Q499 VanDerWaalsContact OD1-CB 3.3Å; D497-Q499 WeakPolarHBondContact OD1-CB 3.4Å; D497-Q499 PolarHBondContact OD1-N 3.49Å; D497-Q500 HydrophobicContact CB-CB 4.33Å; D497-Q500 PolarHBondContact OD1-N 3.21Å; D497-H501 VanDerWaalsContact O-CA 3.26Å; D497-H501 WeakPolarHBondContact O-CA 3.34Å; D497-H501 PolarHBondContact O-N 3.11Å; D497-K502 PolarHBondContact N-O 2.94Å; D497-K502 PolarHBondContact O-N 3.28Å
498	P	90.9	Very high	88.5	Confident	70 Å²	70	26.9 Å²	26.9	46%	0.455	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.2	-179.7	-18.4	31.3	0	0	0	115.2	F451 Y496	F451-P498 HydrophobicContact CD1-CG 4.4Å; F451-P498 HydrophobicContact CE1-CG 3.6Å; F451-P498 HydrophobicContact CZ-CG 4.26Å; Y496-P498 HydrophobicContact CD1-CG 3.97Å; Y496-P498 HydrophobicContact CE1-CB 3.88Å; Y496-P498 HydrophobicContact CE1-CG 3.77Å; Y496-P498 WeakPolarHBondContact O-CD 3.4Å
499	Q	91.2	Very high	89	Confident	123 Å²	123	26.7 Å²	26.7	58%	0.575	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-39.3	-178.8	-57.5	173.2	64.2	0	0	111	N190 D497	N190-Q499 PolarHBondContact ND2-NE2 3.41Å; N190-Q499 PolarHBondContact ND2-OE1 3.32Å; N190-Q499 PolarHBondContact OD1-NE2 3.11Å; D497-Q499 VanDerWaalsContact C-N 3.26Å; D497-Q499 PolarHBondContact O-N 2.88Å; D497-Q499 WeakPolarHBondContact OD1-CA 3.42Å; D497-Q499 VanDerWaalsContact OD1-CB 3.3Å; D497-Q499 WeakPolarHBondContact OD1-CB 3.4Å; D497-Q499 PolarHBondContact OD1-N 3.49Å
500	Q	92.9	Very high	89.8	Confident	106 Å²	106	26.6 Å²	26.6	50%	0.495	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.9	173	-58.7	-166.9	32.9	0	0	112.8	D497 K502	D497-Q500 HydrophobicContact CB-CB 4.33Å; D497-Q500 PolarHBondContact OD1-N 3.21Å; Q500-K502 HydrophobicContact CB-CB 4.31Å; Q500-K502 HydrophobicContact CB-CD 4.41Å; Q500-K502 HydrophobicContact CB-CG 4.42Å
501	H	95.4	Very high	90.4	Very high	59 Å²	59	26.2 Å²	26.2	27%	0.273	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	55.6	-169.9	-176.9	76.4	0	0	0	111.2	F427 E466 Y496 D497	F427-H501 AromaticContact CD2-NE2 3.8Å; F427-H501 AromaticContact CE2-CE1 3.91Å; F427-H501 AromaticContact CE2-NE2 3.68Å; E466-H501 IonicContact OE1-NE2 3.21Å; E466-H501 IonicContact OE2-CE1 2.61Å; E466-H501 PolarHBondContact OE2-CE1 3.31Å; E466-H501 IonicContact OE2-NE2 2.69Å; E466-H501 PolarHBondContact OE2-NE2 2.58Å; Y496-H501 AromaticContact CE2-ND1 3.85Å; Y496-H501 AromaticContact CZ-ND1 3.86Å; Y496-H501 PolarHBondContact OH-ND1 3.18Å; D497-H501 VanDerWaalsContact O-CA 3.26Å; D497-H501 WeakPolarHBondContact O-CA 3.34Å; D497-H501 PolarHBondContact O-N 3.11Å
502	K	96.3	Very high	90.7	Very high	50 Å²	50	26.9 Å²	26.9	22%	0.217	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.7	-178.1	-77.8	-179.6	179.7	-77.4	0	111.6	H425 P426 F427 Y429 Y496 D497 Q500	H425-K502 PolarHBondContact O-NZ 3.34Å; P426-K502 WeakPolarHBondContact O-CE 3.5Å; P426-K502 WeakPolarHBondContact O-CG 3.44Å; P426-K502 PolarHBondContact O-NZ 2.85Å; F427-K502 CarbonylContact O-C 3.55Å; F427-K502 VanDerWaalsContact O-CA 3.26Å; F427-K502 WeakPolarHBondContact O-CA 3.46Å; Y429-K502 HydrophobicContact CD1-CB 4.02Å; Y429-K502 HydrophobicContact CD1-CD 4.18Å; Y429-K502 HydrophobicContact CE1-CB 4.24Å; Y496-K502 WeakPolarHBondContact CA-O 3.23Å; D497-K502 PolarHBondContact N-O 2.94Å; D497-K502 PolarHBondContact O-N 3.28Å; Q500-K502 HydrophobicContact CB-CB 4.31Å; Q500-K502 HydrophobicContact CB-CD 4.41Å; Q500-K502 HydrophobicContact CB-CG 4.42Å
503	V	96.3	Very high	91.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.6	168.5	176.5	0	0	0	0	110.4	F427 F428 Y429 L453 F494 F495 Y496 L505	F427-V503 HydrophobicContact CD1-CG2 4.33Å; F427-V503 HydrophobicContact CE1-CB 4.14Å; F427-V503 HydrophobicContact CE1-CG2 3.48Å; F427-V503 VanDerWaalsContact CE1-CG2 3.48Å; F427-V503 HydrophobicContact CZ-CG2 3.8Å; F427-V503 PolarHBondContact O-N 3.33Å; F428-V503 WeakPolarHBondContact CA-O 3.27Å; F428-V503 HydrophobicContact CD1-CB 3.75Å; F428-V503 HydrophobicContact CD1-CG1 4.07Å; F428-V503 HydrophobicContact CE1-CB 3.77Å; F428-V503 HydrophobicContact CE1-CG1 3.92Å; F428-V503 HydrophobicContact CE1-CG2 4.47Å; Y429-V503 PolarHBondContact N-O 2.99Å; L453-V503 HydrophobicContact CD1-CG1 4.28Å; L453-V503 HydrophobicContact CD2-CG2 4.2Å; F494-V503 HydrophobicContact CB-CG1 4.11Å; F494-V503 HydrophobicContact CD1-CG1 4.21Å; F495-V503 CarbonylContact O-C 3.58Å; F495-V503 VanDerWaalsContact O-CA 3.24Å; F495-V503 WeakPolarHBondContact O-CA 3.27Å; Y496-V503 HydrophobicContact CD2-CG2 4.01Å; V503-L505 HydrophobicContact CG1-CD2 4.18Å
504	A	95.5	Very high	91.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.6	170.1	0	0	0	0	0	110.7	Y429 V448 F494 F495	Y429-A504 HydrophobicContact CD1-CB 4.06Å; Y429-A504 HydrophobicContact CE1-CB 3.38Å; Y429-A504 HydrophobicContact CE2-CB 3.99Å; Y429-A504 WeakPolarHBondContact O-CA 3.42Å; Y429-A504 WeakPolarHBondContact OH-CB 3.25Å; V448-A504 HydrophobicContact CB-CB 4.01Å; V448-A504 HydrophobicContact CG1-CB 3.8Å; F494-A504 WeakPolarHBondContact CA-O 3.44Å; F495-A504 HydrophobicContact CB-CB 4.09Å; F495-A504 PolarHBondContact N-O 3.1Å; F495-A504 PolarHBondContact O-N 3.42Å
505	L	94.9	Very high	91.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.6	176.5	-52.2	-178.1	0	0	0	109.6	L422 F428 Y429 V430 P431 L474 F494 V503 F508	L422-L505 HydrophobicContact CD1-CD1 3.5Å; F428-L505 HydrophobicContact CD1-CD1 4.48Å; F428-L505 HydrophobicContact CD1-CD2 4.01Å; F428-L505 HydrophobicContact CD1-CG 4.36Å; F428-L505 HydrophobicContact CE1-CD2 4.26Å; Y429-L505 PolarHBondContact O-N 2.95Å; V430-L505 HydrophobicContact CG2-CB 4.38Å; V430-L505 HydrophobicContact CG2-CD1 4.28Å; P431-L505 WeakPolarHBondContact CD-O 3.42Å; L474-L505 HydrophobicContact CD2-CD1 4.03Å; L474-L505 HydrophobicContact CD2-CD2 4.45Å; F494-L505 HydrophobicContact CD1-CD2 3.28Å; F494-L505 HydrophobicContact CE1-CD2 3.38Å; F494-L505 HydrophobicContact CG-CD2 4.22Å; F494-L505 HydrophobicContact CZ-CD2 4.37Å; V503-L505 HydrophobicContact CG1-CD2 4.18Å; L505-F508 HydrophobicContact CB-CE2 4.41Å; L505-F508 HydrophobicContact CB-CZ 3.71Å; L505-F508 WeakPolarHBondContact O-CE2 3.34Å
506	L	90.3	Very high	91.4	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.225	19%	0.192	C	C	.	.			trans	-102.4	-48.3	-175	-68.1	-164.3	0	0	0	116.1	P431 V448 N493 F495 F508	P431-L506 HydrophobicContact CG-CD2 3.77Å; V448-L506 HydrophobicContact CB-CD2 4.39Å; V448-L506 HydrophobicContact CG1-CD2 3.67Å; V448-L506 HydrophobicContact CG2-CD1 3.98Å; V448-L506 HydrophobicContact CG2-CD2 3.81Å; V448-L506 HydrophobicContact CG2-CG 4.23Å; N493-L506 PolarHBondContact O-N 3.2Å; F495-L506 HydrophobicContact CD2-CD1 3.92Å; F495-L506 HydrophobicContact CD2-CG 3.98Å; F495-L506 HydrophobicContact CE2-CD1 3.34Å; F495-L506 HydrophobicContact CE2-CG 3.83Å; F495-L506 HydrophobicContact CZ-CD1 3.98Å; L506-F508 WeakPolarHBondContact O-CD2 3.42Å
507	D	87.9	Confident	91.2	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.048	22%	0.215	C	C	.	.			trans	-104.7	110.6	-162	-162.2	-36.2	0	0	0	112.3	K358 Q486 N493 G509	K358-D507 IonicContact NZ-OD1 2.66Å; K358-D507 IonicContact NZ-OD2 3.32Å; Q486-D507 PolarHBondContact NE2-O 2.92Å; N493-D507 HydrophobicContact CB-CB 3.73Å; N493-D507 WeakPolarHBondContact ND2-CB 3.39Å; N493-D507 PolarHBondContact ND2-OD2 3.01Å; D507-G509 PolarHBondContact OD1-N 3.07Å; D507-G509 VanDerWaalsContact OD1-N 3.1Å
508	F	91.1	Very high	90.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	22%	0.217	C	C	.	.			trans	-108.7	10.5	-176.8	-63.6	-81.5	0	0	0	113.3	E411 C414 A415 F418 V430 L505 L506 A510 T511	E411-F508 HydrophobicContact CG-CB 4.07Å; C414-F508 HydrophobicContact CB-CB 3.89Å; A415-F508 HydrophobicContact CB-CD2 3.55Å; A415-F508 HydrophobicContact CB-CE2 4Å; A415-F508 HydrophobicContact CB-CG 4.14Å; F418-F508 HydrophobicContact CB-CD1 4.22Å; F418-F508 HydrophobicContact CB-CE1 3.6Å; F418-F508 HydrophobicContact CB-CZ 4.03Å; F418-F508 HydrophobicContact CD1-CE1 4.26Å; F418-F508 AromaticContact CD2-CD1 3.36Å; F418-F508 HydrophobicContact CD2-CD1 3.36Å; F418-F508 AromaticContact CD2-CE1 3.37Å; F418-F508 HydrophobicContact CD2-CE1 3.37Å; F418-F508 AromaticContact CE2-CD1 3.9Å; F418-F508 HydrophobicContact CE2-CD1 3.9Å; F418-F508 HydrophobicContact CE2-CE1 4.05Å; F418-F508 AromaticContact CG-CD1 3.98Å; F418-F508 HydrophobicContact CG-CD1 3.98Å; F418-F508 AromaticContact CG-CE1 3.49Å; F418-F508 HydrophobicContact CG-CE1 3.49Å; F418-F508 VanDerWaalsContact CG-CE1 3.49Å; F418-F508 HydrophobicContact CG-CZ 4.37Å; V430-F508 HydrophobicContact CG1-CE2 3.66Å; V430-F508 HydrophobicContact CG1-CZ 3.69Å; V430-F508 HydrophobicContact CG2-CZ 4.08Å; L505-F508 HydrophobicContact CB-CE2 4.41Å; L505-F508 HydrophobicContact CB-CZ 3.71Å; L505-F508 WeakPolarHBondContact O-CE2 3.34Å; L506-F508 WeakPolarHBondContact O-CD2 3.42Å; F508-A510 PolarHBondContact O-N 3.42Å; F508-T511 VanDerWaalsContact O-CB 3.25Å; F508-T511 WeakPolarHBondContact O-CB 3.34Å; F508-T511 PolarHBondContact O-N 3.1Å; F508-T511 VanDerWaalsContact O-N 3.08Å; F508-T511 PolarHBondContact O-OG1 3.16Å
509	G	84.8	Confident	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-50.5	-174.3	0	0	0	0	0	112.9	R410 D507 T511	R410-G509 PolarHBondContact NH1-O 3.39Å; D507-G509 PolarHBondContact OD1-N 3.07Å; D507-G509 VanDerWaalsContact OD1-N 3.1Å; G509-T511 PolarHBondContact O-N 3.42Å
510	A	82	Confident	91	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	35.2	176.1	0	0	0	0	0	113.3	T487 D488 F508	T487-A510 WeakPolarHBondContact CA-O 3.45Å; T487-A510 WeakPolarHBondContact CB-O 3.32Å; T487-A510 PolarHBondContact N-O 3.05Å; T487-A510 PolarHBondContact OG1-O 3.39Å; D488-A510 HydrophobicContact CB-CB 4.03Å; F508-A510 PolarHBondContact O-N 3.42Å
511	T	89.6	Confident	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.9	169.5	-58.3	0	0	0	0	110.8	R410 C414 F418 F484 M485 F508 G509	R410-T511 PolarHBondContact NH2-O 2.92Å; C414-T511 HydrophobicContact CB-CG2 4.14Å; F418-T511 HydrophobicContact CD2-CG2 4.44Å; F418-T511 HydrophobicContact CE2-CG2 3.74Å; F484-T511 HydrophobicContact CD1-CG2 4.25Å; F484-T511 HydrophobicContact CD2-CG2 3.72Å; F484-T511 HydrophobicContact CE1-CG2 3.84Å; F484-T511 HydrophobicContact CE2-CG2 3.32Å; F484-T511 HydrophobicContact CG-CG2 4.22Å; F484-T511 HydrophobicContact CZ-CG2 3.4Å; M485-T511 CarbonylContact O-C 3.53Å; M485-T511 VanDerWaalsContact O-CA 3.28Å; M485-T511 WeakPolarHBondContact O-CA 3.33Å; F508-T511 VanDerWaalsContact O-CB 3.25Å; F508-T511 WeakPolarHBondContact O-CB 3.34Å; F508-T511 PolarHBondContact O-N 3.1Å; F508-T511 VanDerWaalsContact O-N 3.08Å; F508-T511 PolarHBondContact O-OG1 3.16Å; G509-T511 PolarHBondContact O-N 3.42Å
512	R	88.7	Confident	90.7	Very high	36 Å²	36	30.9 Å²	30.9	14%	0.136	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.1	174.3	-69.8	-176.8	174	-113.4	3.6	111.6	E401 F484 M485 T487 Y514 E604 S608	E401-R512 IonicContact OE1-CZ 3.02Å; E401-R512 IonicContact OE1-NE 3.7Å; E401-R512 PolarHBondContact OE1-NE 2.93Å; E401-R512 IonicContact OE1-NH2 3.39Å; E401-R512 PolarHBondContact OE1-NH2 3.29Å; F484-R512 WeakPolarHBondContact CA-O 3.5Å; M485-R512 PolarHBondContact N-O 3.07Å; M485-R512 PolarHBondContact O-N 2.8Å; T487-R512 HydrophobicContact CG2-CB 4.17Å; T487-R512 HydrophobicContact CG2-CG 4.37Å; R512-Y514 HydrophobicContact CB-CE2 4.01Å; R512-E604 IonicContact CZ-OE1 2.69Å; R512-E604 IonicContact NH1-OE1 2.79Å; R512-E604 PolarHBondContact NH1-OE1 2.84Å; R512-E604 IonicContact NH2-OE1 3.78Å; R512-E604 PolarHBondContact NH2-OE1 3.39Å; R512-S608 PolarHBondContact NE-OG 3.42Å
513	E	91.8	Very high	90.4	Very high	129 Å²	129	28.6 Å²	28.6	60%	0.603	14%	0.142	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	146.4	162.6	-70.9	178.5	178.8	0	0	108.6	K417 H483 F484	K417-E513 IonicContact NZ-OE1 3.15Å; K417-E513 PolarHBondContact NZ-OE1 3.24Å; H483-E513 WeakPolarHBondContact O-CA 3.09Å; F484-E513 HydrophobicContact CD2-CG 3.38Å; F484-E513 HydrophobicContact CE2-CG 3.81Å; F484-E513 HydrophobicContact CG-CG 4.43Å
514	Y	90.8	Very high	90.3	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.039	16%	0.157	C	C	.	.			trans	-121.1	136.9	176.5	-75.2	-96.6	0	0	0	108.8	L479 H483 M485 T487 R512 F518 E605 L609	L479-Y514 HydrophobicContact CD2-CD2 4.49Å; H483-Y514 PolarHBondContact O-N 2.9Å; M485-Y514 HydrophobicContact CB-CD2 4.38Å; M485-Y514 HydrophobicContact CB-CE2 4.02Å; T487-Y514 HydrophobicContact CG2-CE2 4.19Å; R512-Y514 HydrophobicContact CB-CE2 4.01Å; Y514-F518 AromaticContact CD1-CD1 3.66Å; Y514-F518 HydrophobicContact CD1-CD1 3.66Å; Y514-F518 AromaticContact CD1-CE1 3.72Å; Y514-F518 HydrophobicContact CD1-CE1 3.72Å; Y514-F518 HydrophobicContact CD1-CG 4.38Å; Y514-F518 HydrophobicContact CD1-CZ 4.46Å; Y514-F518 HydrophobicContact CE1-CD1 4.36Å; Y514-F518 AromaticContact CE1-CE1 3.96Å; Y514-F518 HydrophobicContact CE1-CE1 3.96Å; Y514-F518 HydrophobicContact CE1-CZ 4.39Å; Y514-E605 HydrophobicContact CD1-CB 4.24Å; Y514-E605 HydrophobicContact CE1-CB 3.79Å; Y514-E605 HydrophobicContact CE1-CG 4.41Å; Y514-E605 PolarHBondContact OH-O 3.16Å; Y514-E605 VanDerWaalsContact OH-O 3.06Å; Y514-L609 HydrophobicContact CE1-CB 4.15Å; Y514-L609 PolarHBondContact OH-N 3.06Å; Y514-L609 VanDerWaalsContact OH-N 3.1Å
515	D	90.8	Very high	90.1	Very high	82 Å²	82	32 Å²	32	44%	0.439	16%	0.157	S	C	.	.			trans	-77.1	162.7	178.1	84.3	44.5	0	0	0	112.4	S517 F518 T519	D515-S517 WeakPolarHBondContact OD1-CA 3.4Å; D515-S517 VanDerWaalsContact OD1-CB 3.31Å; D515-S517 WeakPolarHBondContact OD1-CB 3.45Å; D515-S517 PolarHBondContact OD1-N 3.17Å; D515-S517 PolarHBondContact OD1-OG 2.76Å; D515-F518 WeakPolarHBondContact O-CB 3.38Å; D515-F518 PolarHBondContact O-N 3.46Å; D515-F518 PolarHBondContact OD1-N 2.72Å; D515-T519 PolarHBondContact O-N 2.97Å; D515-T519 PolarHBondContact O-OG1 3.01Å
516	R	88.7	Confident	89.9	Confident	117 Å²	117	32.1 Å²	32.1	44%	0.442	16%	0.158	S	C	.	.	H	α-helix	trans	-71.6	-36.1	-175.5	-76.9	162.9	166.9	-110	23.7	113.1	F518 T519 D520	R516-F518 PolarHBondContact O-N 2.94Å; R516-T519 WeakPolarHBondContact CA-OG1 3.14Å; R516-T519 PolarHBondContact O-N 2.85Å; R516-T519 PolarHBondContact O-OG1 3.36Å; R516-D520 WeakPolarHBondContact O-CA 3.31Å; R516-D520 WeakPolarHBondContact O-CB 3.45Å; R516-D520 PolarHBondContact O-N 3.28Å
517	S	90.1	Very high	90	Very high	75 Å²	75	32.3 Å²	32.3	52%	0.524	16%	0.156	S	C	.	.	H	α-helix	trans	-57.4	-40.8	173	13.4	0	0	0	0	111.2	D515 L521	D515-S517 WeakPolarHBondContact OD1-CA 3.4Å; D515-S517 VanDerWaalsContact OD1-CB 3.31Å; D515-S517 WeakPolarHBondContact OD1-CB 3.45Å; D515-S517 PolarHBondContact OD1-N 3.17Å; D515-S517 PolarHBondContact OD1-OG 2.76Å; S517-L521 WeakPolarHBondContact O-CG 3.48Å; S517-L521 PolarHBondContact O-N 2.89Å
518	F	89.9	Confident	90.3	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-53.3	174.1	-172.8	-81	0	0	0	111.7	Y514 D515 R516 D520 L521 Y522 M544 E605 L609	Y514-F518 AromaticContact CD1-CD1 3.66Å; Y514-F518 HydrophobicContact CD1-CD1 3.66Å; Y514-F518 AromaticContact CD1-CE1 3.72Å; Y514-F518 HydrophobicContact CD1-CE1 3.72Å; Y514-F518 HydrophobicContact CD1-CG 4.38Å; Y514-F518 HydrophobicContact CD1-CZ 4.46Å; Y514-F518 HydrophobicContact CE1-CD1 4.36Å; Y514-F518 AromaticContact CE1-CE1 3.96Å; Y514-F518 HydrophobicContact CE1-CE1 3.96Å; Y514-F518 HydrophobicContact CE1-CZ 4.39Å; D515-F518 WeakPolarHBondContact O-CB 3.38Å; D515-F518 PolarHBondContact O-N 3.46Å; D515-F518 PolarHBondContact OD1-N 2.72Å; R516-F518 PolarHBondContact O-N 2.94Å; F518-D520 VanDerWaalsContact C-N 3.32Å; F518-D520 PolarHBondContact O-N 3.18Å; F518-L521 PolarHBondContact O-N 2.9Å; F518-Y522 HydrophobicContact CE1-CG 4.42Å; F518-Y522 WeakPolarHBondContact O-CB 3.43Å; F518-Y522 PolarHBondContact O-N 2.83Å; F518-M544 HydrophobicContact CD1-CE 3.94Å; F518-M544 HydrophobicContact CD2-CE 3.52Å; F518-M544 HydrophobicContact CD2-SD 3.88Å; F518-M544 HydrophobicContact CE1-CE 3.84Å; F518-M544 HydrophobicContact CE2-CE 3.43Å; F518-M544 VanDerWaalsContact CE2-CE 3.43Å; F518-M544 HydrophobicContact CE2-SD 3.97Å; F518-M544 HydrophobicContact CG-CE 3.77Å; F518-M544 HydrophobicContact CZ-CE 3.58Å; F518-M544 VanDerWaalsContact O-CE 3.24Å; F518-M544 WeakPolarHBondContact O-CE 3.44Å; F518-E605 HydrophobicContact CD2-CB 4.37Å; F518-E605 HydrophobicContact CE2-CB 3.98Å; F518-E605 HydrophobicContact CZ-CB 4.27Å; F518-L609 HydrophobicContact CE1-CD2 3.57Å; F518-L609 HydrophobicContact CZ-CD2 3.6Å
519	T	91.6	Very high	90.4	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-32.7	-178.1	55.8	0	0	0	0	112.9	H483 D515 R516 Y522 I523 Y640	H483-T519 PolarHBondContact CD2-OG1 3.46Å; D515-T519 PolarHBondContact O-N 2.97Å; D515-T519 PolarHBondContact O-OG1 3.01Å; R516-T519 WeakPolarHBondContact CA-OG1 3.14Å; R516-T519 PolarHBondContact O-N 2.85Å; R516-T519 PolarHBondContact O-OG1 3.36Å; T519-Y522 PolarHBondContact O-N 3.09Å; T519-I523 WeakPolarHBondContact O-CB 3.47Å; T519-I523 PolarHBondContact O-N 3.27Å; T519-Y640 WeakPolarHBondContact CB-OH 3.34Å; T519-Y640 PolarHBondContact OG1-OH 2.63Å
520	D	91.2	Very high	90.6	Very high	44 Å²	44	32.7 Å²	32.7	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-48.4	174.4	-75.5	-20.5	0	0	0	111.2	R516 F518 Q524 Y640 Q644	R516-D520 WeakPolarHBondContact O-CA 3.31Å; R516-D520 WeakPolarHBondContact O-CB 3.45Å; R516-D520 PolarHBondContact O-N 3.28Å; F518-D520 VanDerWaalsContact C-N 3.32Å; F518-D520 PolarHBondContact O-N 3.18Å; D520-Q524 VanDerWaalsContact O-CG 3.29Å; D520-Q524 WeakPolarHBondContact O-CG 3.5Å; D520-Q524 PolarHBondContact O-N 3.03Å; D520-Q524 PolarHBondContact O-NE2 3.11Å; D520-Y640 PolarHBondContact N-OH 2.74Å; D520-Y640 VanDerWaalsContact N-OH 3.15Å; D520-Y640 WeakPolarHBondContact OD1-CE1 3.41Å; D520-Y640 VanDerWaalsContact OD1-CZ 3.23Å; D520-Y640 PolarHBondContact OD1-OH 2.63Å; D520-Q644 PolarHBondContact OD1-NE2 2.91Å
521	L	91.2	Very high	91.1	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-69.3	-39.4	176.7	-70.6	175.9	0	0	0	111.6	S517 F518 Q524 I525 K540 E543 M544	S517-L521 WeakPolarHBondContact O-CG 3.48Å; S517-L521 PolarHBondContact O-N 2.89Å; F518-L521 PolarHBondContact O-N 2.9Å; L521-Q524 WeakPolarHBondContact O-CB 3.29Å; L521-Q524 PolarHBondContact O-N 3.33Å; L521-I525 WeakPolarHBondContact O-CG1 3.41Å; L521-I525 PolarHBondContact O-N 2.85Å; L521-I525 VanDerWaalsContact O-N 3.07Å; L521-K540 HydrophobicContact CD2-CD 4.05Å; L521-E543 HydrophobicContact CD1-CG 4.19Å; L521-E543 VanDerWaalsContact CD2-CD 3.43Å; L521-E543 HydrophobicContact CD2-CG 3.98Å; L521-E543 WeakPolarHBondContact CD2-OE1 3.44Å; L521-M544 HydrophobicContact CB-CE 4.02Å; L521-M544 HydrophobicContact CB-SD 3.88Å; L521-M544 HydrophobicContact CD1-SD 4.07Å
522	Y	90.9	Very high	91.2	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-42.9	-178.1	-164.1	-111.3	0	0	0	112.2	L479 F480 F518 T519 Q524 I525 I526 M544 F546 L609 H610 M613	L479-Y522 HydrophobicContact CD1-CE1 4.28Å; F480-Y522 HydrophobicContact CE1-CD1 4.29Å; F480-Y522 HydrophobicContact CZ-CD1 4.01Å; F518-Y522 HydrophobicContact CE1-CG 4.42Å; F518-Y522 WeakPolarHBondContact O-CB 3.43Å; F518-Y522 PolarHBondContact O-N 2.83Å; T519-Y522 PolarHBondContact O-N 3.09Å; Y522-Q524 VanDerWaalsContact C-N 3.27Å; Y522-Q524 PolarHBondContact O-N 3.24Å; Y522-I525 WeakPolarHBondContact O-CB 3.21Å; Y522-I525 PolarHBondContact O-N 2.95Å; Y522-I525 VanDerWaalsContact O-N 3.14Å; Y522-I526 HydrophobicContact CD1-CG1 4.26Å; Y522-I526 HydrophobicContact CE1-CD1 4.19Å; Y522-I526 HydrophobicContact CE1-CG1 3.96Å; Y522-I526 HydrophobicContact CE2-CD1 4.49Å; Y522-I526 WeakPolarHBondContact O-CG1 3.42Å; Y522-I526 PolarHBondContact O-N 2.65Å; Y522-M544 HydrophobicContact CD2-CE 4.14Å; Y522-M544 HydrophobicContact CG-CE 4.41Å; Y522-F546 HydrophobicContact CD2-CE2 4.07Å; Y522-F546 AromaticContact CD2-CZ 3.9Å; Y522-F546 HydrophobicContact CD2-CZ 3.9Å; Y522-F546 HydrophobicContact CE2-CE2 4.01Å; Y522-F546 AromaticContact CE2-CZ 3.99Å; Y522-F546 HydrophobicContact CE2-CZ 3.99Å; Y522-L609 HydrophobicContact CD1-CD1 4.44Å; Y522-L609 HydrophobicContact CD1-CD2 4.02Å; Y522-L609 HydrophobicContact CD2-CD2 3.73Å; Y522-L609 HydrophobicContact CE1-CD1 3.96Å; Y522-L609 HydrophobicContact CE1-CD2 3.71Å; Y522-L609 HydrophobicContact CE1-CG 4.12Å; Y522-L609 HydrophobicContact CE2-CD2 3.4Å; Y522-L609 VanDerWaalsContact CE2-CD2 3.4Å; Y522-L609 HydrophobicContact CE2-CG 4.38Å; Y522-L609 HydrophobicContact CG-CD2 4.02Å; Y522-H610 AromaticContact CE2-NE2 3.7Å; Y522-M613 HydrophobicContact CE1-CE 3.76Å
523	I	91.3	Very high	91.5	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-29.7	177.6	-149.9	179.2	0	0	0	112.1	F480 T519 R527 Y637 Y640	F480-I523 HydrophobicContact CB-CD1 4.36Å; F480-I523 HydrophobicContact CD1-CB 4Å; F480-I523 HydrophobicContact CD1-CD1 3.78Å; F480-I523 HydrophobicContact CD1-CG1 3.97Å; F480-I523 HydrophobicContact CD2-CD1 4.1Å; F480-I523 HydrophobicContact CD2-CG1 4.36Å; F480-I523 HydrophobicContact CE1-CB 3.55Å; F480-I523 HydrophobicContact CE1-CD1 4.07Å; F480-I523 HydrophobicContact CE1-CG1 3.71Å; F480-I523 HydrophobicContact CE2-CD1 4.35Å; F480-I523 HydrophobicContact CE2-CG1 4.11Å; F480-I523 HydrophobicContact CG-CD1 3.81Å; F480-I523 HydrophobicContact CG-CG1 4.31Å; F480-I523 HydrophobicContact CZ-CB 3.99Å; F480-I523 HydrophobicContact CZ-CD1 4.34Å; F480-I523 HydrophobicContact CZ-CG1 3.77Å; T519-I523 WeakPolarHBondContact O-CB 3.47Å; T519-I523 PolarHBondContact O-N 3.27Å; I523-R527 VanDerWaalsContact O-CB 3.27Å; I523-R527 WeakPolarHBondContact O-CB 3.19Å; I523-R527 PolarHBondContact O-N 2.87Å; I523-Y637 HydrophobicContact CD1-CD2 3.78Å; I523-Y637 HydrophobicContact CG1-CD2 3.91Å; I523-Y637 HydrophobicContact CG1-CE2 4.44Å; I523-Y640 HydrophobicContact CD1-CD1 3.83Å; I523-Y640 HydrophobicContact CD1-CD2 4.27Å; I523-Y640 HydrophobicContact CD1-CG 3.66Å; I523-Y640 HydrophobicContact CG2-CD1 3.81Å; I523-Y640 HydrophobicContact CG2-CE1 3.73Å
524	Q	92.2	Very high	91.7	Very high	69 Å²	69	44 Å²	44	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-41	171.2	-73.6	166.5	66.8	0	0	111.6	D520 L521 Y522 R527 A528 K540	D520-Q524 VanDerWaalsContact O-CG 3.29Å; D520-Q524 WeakPolarHBondContact O-CG 3.5Å; D520-Q524 PolarHBondContact O-N 3.03Å; D520-Q524 PolarHBondContact O-NE2 3.11Å; L521-Q524 WeakPolarHBondContact O-CB 3.29Å; L521-Q524 PolarHBondContact O-N 3.33Å; Y522-Q524 VanDerWaalsContact C-N 3.27Å; Y522-Q524 PolarHBondContact O-N 3.24Å; Q524-R527 PolarHBondContact O-N 2.91Å; Q524-A528 WeakPolarHBondContact O-CB 3.48Å; Q524-A528 PolarHBondContact O-N 2.85Å; Q524-K540 HydrophobicContact CB-CD 4.12Å; Q524-K540 HydrophobicContact CB-CG 4.45Å
525	I	92.4	Very high	91.9	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-49	175.7	-67.7	165.8	0	0	0	110.8	L521 Y522 R527 A528 A529 K540 M544 F546 I563	L521-I525 WeakPolarHBondContact O-CG1 3.41Å; L521-I525 PolarHBondContact O-N 2.85Å; L521-I525 VanDerWaalsContact O-N 3.07Å; Y522-I525 WeakPolarHBondContact O-CB 3.21Å; Y522-I525 PolarHBondContact O-N 2.95Å; Y522-I525 VanDerWaalsContact O-N 3.14Å; I525-R527 PolarHBondContact O-N 3.23Å; I525-A528 PolarHBondContact O-N 2.92Å; I525-A529 WeakPolarHBondContact O-CB 3.35Å; I525-A529 PolarHBondContact O-N 2.79Å; I525-K540 HydrophobicContact CD1-CB 4.23Å; I525-K540 HydrophobicContact CG1-CB 3.5Å; I525-K540 VanDerWaalsContact CG1-CB 3.5Å; I525-M544 HydrophobicContact CD1-CB 4.01Å; I525-M544 HydrophobicContact CD1-CG 4.06Å; I525-F546 HydrophobicContact CD1-CD2 4.19Å; I525-F546 HydrophobicContact CD1-CE2 3.9Å; I525-I563 HydrophobicContact CG2-CD1 3.95Å; I525-I563 HydrophobicContact CG2-CG2 3.83Å
526	I	90.6	Very high	92.1	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-35.8	-179.7	-54.2	-57.5	0	0	0	111.6	Y522 A529 A530 F570 F633	Y522-I526 HydrophobicContact CD1-CG1 4.26Å; Y522-I526 HydrophobicContact CE1-CD1 4.19Å; Y522-I526 HydrophobicContact CE1-CG1 3.96Å; Y522-I526 HydrophobicContact CE2-CD1 4.49Å; Y522-I526 WeakPolarHBondContact O-CG1 3.42Å; Y522-I526 PolarHBondContact O-N 2.65Å; I526-A529 WeakPolarHBondContact O-CB 3.24Å; I526-A529 PolarHBondContact O-N 3.38Å; I526-A530 PolarHBondContact O-N 3.11Å; I526-F570 HydrophobicContact CG2-CD2 3.86Å; I526-F570 HydrophobicContact CG2-CE2 4.12Å; I526-F633 HydrophobicContact CB-CE2 4.07Å; I526-F633 HydrophobicContact CB-CZ 4.17Å; I526-F633 HydrophobicContact CG2-CD2 4.17Å; I526-F633 HydrophobicContact CG2-CE2 3.49Å; I526-F633 VanDerWaalsContact CG2-CE2 3.49Å; I526-F633 HydrophobicContact CG2-CZ 3.74Å
527	R	93	Very high	92.4	Very high	47 Å²	47	42.5 Å²	42.5	18%	0.177	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-53.4	173.2	-179.2	71.9	-140.4	-176.9	14.7	111.2	I523 Q524 I525 A529 A530 D531 F633 E634 Y637	I523-R527 VanDerWaalsContact O-CB 3.27Å; I523-R527 WeakPolarHBondContact O-CB 3.19Å; I523-R527 PolarHBondContact O-N 2.87Å; Q524-R527 PolarHBondContact O-N 2.91Å; I525-R527 PolarHBondContact O-N 3.23Å; R527-A529 PolarHBondContact O-N 3.37Å; R527-A530 PolarHBondContact O-N 2.68Å; R527-A530 VanDerWaalsContact O-N 3.1Å; R527-D531 WeakPolarHBondContact CG-OD2 3.39Å; R527-D531 IonicContact CZ-OD1 3.17Å; R527-D531 IonicContact CZ-OD2 2.85Å; R527-D531 IonicContact NE-OD1 2.66Å; R527-D531 PolarHBondContact NE-OD1 3.38Å; R527-D531 IonicContact NE-OD2 2.71Å; R527-D531 PolarHBondContact NE-OD2 3.26Å; R527-D531 IonicContact NH2-OD1 3.6Å; R527-D531 PolarHBondContact NH2-OD1 3.18Å; R527-D531 IonicContact NH2-OD2 2.7Å; R527-D531 PolarHBondContact O-N 3.13Å; R527-F633 HydrophobicContact CB-CZ 4.32Å; R527-E634 IonicContact CZ-OE1 2.79Å; R527-E634 IonicContact CZ-OE2 2.73Å; R527-E634 IonicContact NH1-OE1 3.33Å; R527-E634 PolarHBondContact NH1-OE1 3.31Å; R527-E634 IonicContact NH1-OE2 3.57Å; R527-E634 PolarHBondContact NH1-OE2 3.42Å; R527-E634 IonicContact NH2-OE1 3.16Å; R527-E634 PolarHBondContact NH2-OE1 3Å; R527-E634 VanDerWaalsContact NH2-OE1 3.16Å; R527-Y637 HydrophobicContact CB-CD2 4.3Å; R527-Y637 HydrophobicContact CB-CE2 3.84Å; R527-Y637 HydrophobicContact CG-CD2 4.48Å; R527-Y637 HydrophobicContact CG-CE2 3.87Å
528	A	94.3	Very high	92.6	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-33.6	178.1	0	0	0	0	0	112.3	Q524 I525 D531 R532 D533 T536 V537	Q524-A528 WeakPolarHBondContact O-CB 3.48Å; Q524-A528 PolarHBondContact O-N 2.85Å; I525-A528 PolarHBondContact O-N 2.92Å; A528-D531 CarbonylContact O-C 3.52Å; A528-D531 PolarHBondContact O-N 3.41Å; A528-R532 PolarHBondContact O-N 3.23Å; A528-D533 HydrophobicContact CB-CB 4.4Å; A528-D533 PolarHBondContact O-N 2.94Å; A528-T536 HydrophobicContact CB-CG2 3.64Å; A528-V537 HydrophobicContact CB-CG2 3.69Å
529	A	92	Very high	92.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-42.6	174	0	0	0	0	0	112.9	I525 I526 R527 R532 V537 I563	I525-A529 WeakPolarHBondContact O-CB 3.35Å; I525-A529 PolarHBondContact O-N 2.79Å; I526-A529 WeakPolarHBondContact O-CB 3.24Å; I526-A529 PolarHBondContact O-N 3.38Å; R527-A529 PolarHBondContact O-N 3.37Å; A529-R532 PolarHBondContact O-N 2.95Å; A529-V537 HydrophobicContact CB-CG2 4.15Å; A529-I563 HydrophobicContact CB-CG2 3.63Å
530	A	90.6	Very high	92.9	Very high	12 Å²	12	46.2 Å²	46.2	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-38.8	175.6	0	0	0	0	0	112.1	I526 R527 R532 F570 A571 F633	I526-A530 PolarHBondContact O-N 3.11Å; R527-A530 PolarHBondContact O-N 2.68Å; R527-A530 VanDerWaalsContact O-N 3.1Å; A530-R532 PolarHBondContact O-N 3.25Å; A530-F570 HydrophobicContact CB-CB 4.19Å; A530-A571 WeakPolarHBondContact O-CB 3.47Å; A530-F633 HydrophobicContact CB-CE1 4.2Å
531	D	92.2	Very high	92.9	Very high	90 Å²	90	44.1 Å²	44.1	48%	0.481	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.6	172.8	-63.9	-37.9	0	0	0	113.2	R527 A528 D533	R527-D531 WeakPolarHBondContact CG-OD2 3.39Å; R527-D531 IonicContact CZ-OD1 3.17Å; R527-D531 IonicContact CZ-OD2 2.85Å; R527-D531 IonicContact NE-OD1 2.66Å; R527-D531 PolarHBondContact NE-OD1 3.38Å; R527-D531 IonicContact NE-OD2 2.71Å; R527-D531 PolarHBondContact NE-OD2 3.26Å; R527-D531 IonicContact NH2-OD1 3.6Å; R527-D531 PolarHBondContact NH2-OD1 3.18Å; R527-D531 IonicContact NH2-OD2 2.7Å; R527-D531 PolarHBondContact O-N 3.13Å; A528-D531 CarbonylContact O-C 3.52Å; A528-D531 PolarHBondContact O-N 3.41Å; D531-D533 VanDerWaalsContact C-N 3.26Å; D531-D533 PolarHBondContact O-N 3.12Å
532	R	91.8	Very high	92.9	Very high	180 Å²	180	44.6 Å²	44.6	68%	0.679	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	22.4	-178.3	-54	-177.7	178.1	-172.9	-2.2	115.2	A528 A529 A530 R534	A528-R532 PolarHBondContact O-N 3.23Å; A529-R532 PolarHBondContact O-N 2.95Å; A530-R532 PolarHBondContact O-N 3.25Å; R532-R534 PolarHBondContact O-N 3.46Å; R532-R534 VanDerWaalsContact O-N 3.16Å
533	D	95.1	Very high	93	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	24%	0.235	S	C	.	.			trans	-80.3	91.9	175.8	-176.7	-7.6	0	0	0	111.4	A528 D531 E535 T536 V537	A528-D533 HydrophobicContact CB-CB 4.4Å; A528-D533 PolarHBondContact O-N 2.94Å; D531-D533 VanDerWaalsContact C-N 3.26Å; D531-D533 PolarHBondContact O-N 3.12Å; D533-E535 VanDerWaalsContact C-N 3.29Å; D533-E535 PolarHBondContact O-N 3.02Å; D533-E535 PolarHBondContact OD1-N 3.4Å; D533-T536 VanDerWaalsContact CG-CB 3.48Å; D533-T536 PolarHBondContact OD1-N 2.79Å; D533-T536 WeakPolarHBondContact OD2-CB 3.35Å; D533-T536 PolarHBondContact OD2-OG1 2.93Å; D533-V537 VanDerWaalsContact O-CG2 3.29Å; D533-V537 WeakPolarHBondContact O-CG2 3.36Å; D533-V537 PolarHBondContact O-N 2.91Å
534	R	94.7	Very high	92.7	Very high	68 Å²	68	49.3 Å²	49.3	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-35.4	177	-171.5	-179.1	-166.2	86.8	-11.6	113	R532 R538 D557 L560 D561 L564	R532-R534 PolarHBondContact O-N 3.46Å; R532-R534 VanDerWaalsContact O-N 3.16Å; R534-R538 VanDerWaalsContact O-CB 3.31Å; R534-R538 WeakPolarHBondContact O-CB 3.47Å; R534-R538 PolarHBondContact O-N 3.47Å; R534-D557 IonicContact CZ-OD1 2.61Å; R534-D557 IonicContact NH2-OD1 2.63Å; R534-D557 PolarHBondContact NH2-OD1 3.47Å; R534-L560 HydrophobicContact CG-CB 4.36Å; R534-L560 HydrophobicContact CG-CD1 3.98Å; R534-D561 IonicContact CZ-OD1 2.71Å; R534-D561 VanDerWaalsContact CZ-OD1 3.22Å; R534-D561 IonicContact NH1-OD1 3.2Å; R534-D561 PolarHBondContact NH1-OD1 3.04Å; R534-D561 IonicContact NH2-OD1 2.73Å; R534-D561 PolarHBondContact NH2-OD1 3.36Å; R534-L564 HydrophobicContact CB-CD1 4.16Å; R534-L564 HydrophobicContact CG-CD1 4.11Å; R534-L564 VanDerWaalsContact NH1-CD1 3.34Å
535	E	95.2	Very high	92.5	Very high	124 Å²	124	52.3 Å²	52.3	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-76.4	-40.2	-175.3	-68.9	-55.4	140.3	0	0	111.5	D533 R538 A539	D533-E535 VanDerWaalsContact C-N 3.29Å; D533-E535 PolarHBondContact O-N 3.02Å; D533-E535 PolarHBondContact OD1-N 3.4Å; E535-R538 WeakPolarHBondContact O-CB 3.25Å; E535-R538 PolarHBondContact O-N 2.92Å; E535-A539 WeakPolarHBondContact O-CB 3.19Å; E535-A539 PolarHBondContact O-N 3.34Å
536	T	95.1	Very high	92.1	Very high	54 Å²	54	52.5 Å²	52.5	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-66.4	-40	171.4	-64.4	0	0	0	0	111.3	A528 D533 R538 A539 K540	A528-T536 HydrophobicContact CB-CG2 3.64Å; D533-T536 VanDerWaalsContact CG-CB 3.48Å; D533-T536 PolarHBondContact OD1-N 2.79Å; D533-T536 WeakPolarHBondContact OD2-CB 3.35Å; D533-T536 PolarHBondContact OD2-OG1 2.93Å; T536-R538 VanDerWaalsContact C-N 3.29Å; T536-R538 PolarHBondContact O-N 3.18Å; T536-A539 PolarHBondContact O-N 3Å; T536-K540 HydrophobicContact CG2-CG 4.07Å; T536-K540 VanDerWaalsContact O-CB 3.28Å; T536-K540 WeakPolarHBondContact O-CB 3.29Å; T536-K540 VanDerWaalsContact O-CG 3.3Å; T536-K540 WeakPolarHBondContact O-CG 3.4Å; T536-K540 PolarHBondContact O-N 3.49Å
537	V	94.3	Very high	91.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-41.3	171.7	170.3	0	0	0	0	111.2	A528 A529 D533 S541 L560 I563	A528-V537 HydrophobicContact CB-CG2 3.69Å; A529-V537 HydrophobicContact CB-CG2 4.15Å; D533-V537 VanDerWaalsContact O-CG2 3.29Å; D533-V537 WeakPolarHBondContact O-CG2 3.36Å; D533-V537 PolarHBondContact O-N 2.91Å; V537-S541 WeakPolarHBondContact O-CB 3.39Å; V537-S541 PolarHBondContact O-N 3.42Å; V537-S541 PolarHBondContact O-OG 3.22Å; V537-L560 HydrophobicContact CB-CD2 4.49Å; V537-L560 HydrophobicContact CG1-CD2 3.81Å; V537-I563 HydrophobicContact CG1-CB 4.01Å; V537-I563 HydrophobicContact CG1-CD1 4.1Å; V537-I563 HydrophobicContact CG1-CG2 3.59Å; V537-I563 HydrophobicContact CG2-CG2 4.18Å
538	R	94.8	Very high	91.5	Very high	71 Å²	71	52.4 Å²	52.4	27%	0.268	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-54	177.3	-174.3	-177.5	-177	-75.5	-17.5	112.1	R534 E535 T536 K540 S541 I542 E556 L560	R534-R538 VanDerWaalsContact O-CB 3.31Å; R534-R538 WeakPolarHBondContact O-CB 3.47Å; R534-R538 PolarHBondContact O-N 3.47Å; E535-R538 WeakPolarHBondContact O-CB 3.25Å; E535-R538 PolarHBondContact O-N 2.92Å; T536-R538 VanDerWaalsContact C-N 3.29Å; T536-R538 PolarHBondContact O-N 3.18Å; R538-K540 PolarHBondContact O-N 2.98Å; R538-S541 PolarHBondContact O-N 3.03Å; R538-I542 HydrophobicContact CG-CD1 4.25Å; R538-I542 WeakPolarHBondContact O-CG1 3.47Å; R538-I542 PolarHBondContact O-N 2.9Å; R538-I542 VanDerWaalsContact O-N 3.14Å; R538-E556 IonicContact CZ-OE1 3.22Å; R538-E556 IonicContact CZ-OE2 2.87Å; R538-E556 IonicContact NE-OE1 3.58Å; R538-E556 PolarHBondContact NE-OE1 3.35Å; R538-E556 IonicContact NE-OE2 3.53Å; R538-E556 PolarHBondContact NE-OE2 2.87Å; R538-E556 VanDerWaalsContact NE-OE2 3.16Å; R538-E556 IonicContact NH2-OE1 2.84Å; R538-E556 IonicContact NH2-OE2 2.9Å; R538-E556 PolarHBondContact NH2-OE2 3.19Å; R538-L560 HydrophobicContact CB-CD1 4.12Å; R538-L560 HydrophobicContact CB-CD2 3.7Å; R538-L560 HydrophobicContact CG-CD1 4.21Å; R538-L560 HydrophobicContact CG-CD2 4.27Å
539	A	95.1	Very high	91.2	Very high	56 Å²	56	53.4 Å²	53.4	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-47.9	179.7	0	0	0	0	0	111.6	E535 T536 S541 I542 E543	E535-A539 WeakPolarHBondContact O-CB 3.19Å; E535-A539 PolarHBondContact O-N 3.34Å; T536-A539 PolarHBondContact O-N 3Å; A539-S541 PolarHBondContact O-N 3.22Å; A539-I542 PolarHBondContact O-N 2.84Å; A539-E543 PolarHBondContact O-N 2.69Å
540	K	94	Very high	91	Very high	40 Å²	40	62.8 Å²	62.8	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-68.6	-32.5	179.3	-67.3	-77.7	152.9	-173.1	0	112.7	L521 Q524 I525 T536 R538 I542 E543 M544	L521-K540 HydrophobicContact CD2-CD 4.05Å; Q524-K540 HydrophobicContact CB-CD 4.12Å; Q524-K540 HydrophobicContact CB-CG 4.45Å; I525-K540 HydrophobicContact CD1-CB 4.23Å; I525-K540 HydrophobicContact CG1-CB 3.5Å; I525-K540 VanDerWaalsContact CG1-CB 3.5Å; T536-K540 HydrophobicContact CG2-CG 4.07Å; T536-K540 VanDerWaalsContact O-CB 3.28Å; T536-K540 WeakPolarHBondContact O-CB 3.29Å; T536-K540 VanDerWaalsContact O-CG 3.3Å; T536-K540 WeakPolarHBondContact O-CG 3.4Å; T536-K540 PolarHBondContact O-N 3.49Å; R538-K540 PolarHBondContact O-N 2.98Å; K540-I542 VanDerWaalsContact C-N 3.31Å; K540-I542 PolarHBondContact O-N 2.73Å; K540-E543 VanDerWaalsContact CD-OE2 3.26Å; K540-E543 WeakPolarHBondContact CD-OE2 3.43Å; K540-E543 WeakPolarHBondContact CE-OE2 3.4Å; K540-E543 IonicContact NZ-OE1 2.7Å; K540-E543 IonicContact NZ-OE2 3.2Å; K540-E543 PolarHBondContact NZ-OE2 2.93Å; K540-E543 PolarHBondContact O-N 2.76Å; K540-M544 WeakPolarHBondContact O-CB 3.45Å; K540-M544 PolarHBondContact O-N 3.29Å
541	S	91.2	Very high	90.8	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-31.5	173	-67.7	0	0	0	0	113.4	V537 R538 A539 K545 F546 L547 H559	V537-S541 WeakPolarHBondContact O-CB 3.39Å; V537-S541 PolarHBondContact O-N 3.42Å; V537-S541 PolarHBondContact O-OG 3.22Å; R538-S541 PolarHBondContact O-N 3.03Å; A539-S541 PolarHBondContact O-N 3.22Å; S541-K545 PolarHBondContact O-N 3.34Å; S541-F546 PolarHBondContact O-N 2.79Å; S541-L547 PolarHBondContact O-N 2.68Å; S541-L547 VanDerWaalsContact O-N 3.16Å; S541-H559 WeakPolarHBondContact CB-NE2 3.05Å; S541-H559 PolarHBondContact OG-NE2 3.1Å
542	I	91.3	Very high	90.7	Very high	40 Å²	40	62.9 Å²	62.9	21%	0.205	30%	0.303	C	S	.	.	H	α-helix	trans	-78.9	-37	175.6	-63.1	165	0	0	0	110.9	R538 A539 K540 K545 L547	R538-I542 HydrophobicContact CG-CD1 4.25Å; R538-I542 WeakPolarHBondContact O-CG1 3.47Å; R538-I542 PolarHBondContact O-N 2.9Å; R538-I542 VanDerWaalsContact O-N 3.14Å; A539-I542 PolarHBondContact O-N 2.84Å; K540-I542 VanDerWaalsContact C-N 3.31Å; K540-I542 PolarHBondContact O-N 2.73Å; I542-K545 PolarHBondContact O-N 2.71Å; I542-K545 PolarHBondContact O-NZ 3.11Å; I542-L547 HydrophobicContact CG1-CB 3.82Å; I542-L547 HydrophobicContact CG1-CD1 4.33Å
543	E	91.6	Very high	90.6	Very high	94 Å²	94	60.6 Å²	60.6	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-49.8	171.1	-166	173.5	-179.6	0	0	110.5	L521 A539 K540 K545	L521-E543 HydrophobicContact CD1-CG 4.19Å; L521-E543 VanDerWaalsContact CD2-CD 3.43Å; L521-E543 HydrophobicContact CD2-CG 3.98Å; L521-E543 WeakPolarHBondContact CD2-OE1 3.44Å; A539-E543 PolarHBondContact O-N 2.69Å; K540-E543 VanDerWaalsContact CD-OE2 3.26Å; K540-E543 WeakPolarHBondContact CD-OE2 3.43Å; K540-E543 WeakPolarHBondContact CE-OE2 3.4Å; K540-E543 IonicContact NZ-OE1 2.7Å; K540-E543 IonicContact NZ-OE2 3.2Å; K540-E543 PolarHBondContact NZ-OE2 2.93Å; K540-E543 PolarHBondContact O-N 2.76Å; E543-K545 VanDerWaalsContact C-N 3.26Å; E543-K545 WeakPolarHBondContact O-CE 3.36Å; E543-K545 PolarHBondContact O-N 3.04Å; E543-K545 PolarHBondContact O-NZ 3.17Å
544	M	85.9	Confident	90.4	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.059	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.7	179.2	-168.6	59	137.2	0	0	115.4	F518 L521 Y522 I525 K540 F546	F518-M544 HydrophobicContact CD1-CE 3.94Å; F518-M544 HydrophobicContact CD2-CE 3.52Å; F518-M544 HydrophobicContact CD2-SD 3.88Å; F518-M544 HydrophobicContact CE1-CE 3.84Å; F518-M544 HydrophobicContact CE2-CE 3.43Å; F518-M544 VanDerWaalsContact CE2-CE 3.43Å; F518-M544 HydrophobicContact CE2-SD 3.97Å; F518-M544 HydrophobicContact CG-CE 3.77Å; F518-M544 HydrophobicContact CZ-CE 3.58Å; F518-M544 VanDerWaalsContact O-CE 3.24Å; F518-M544 WeakPolarHBondContact O-CE 3.44Å; L521-M544 HydrophobicContact CB-CE 4.02Å; L521-M544 HydrophobicContact CB-SD 3.88Å; L521-M544 HydrophobicContact CD1-SD 4.07Å; Y522-M544 HydrophobicContact CD2-CE 4.14Å; Y522-M544 HydrophobicContact CG-CE 4.41Å; I525-M544 HydrophobicContact CD1-CB 4.01Å; I525-M544 HydrophobicContact CD1-CG 4.06Å; K540-M544 WeakPolarHBondContact O-CB 3.45Å; K540-M544 PolarHBondContact O-N 3.29Å; M544-F546 HydrophobicContact CB-CD1 4.36Å; M544-F546 HydrophobicContact CB-CE1 4.49Å; M544-F546 HydrophobicContact CB-CG 4.41Å; M544-F546 HydrophobicContact CE-CE1 4.39Å; M544-F546 HydrophobicContact CE-CZ 4.06Å; M544-F546 HydrophobicContact CG-CD1 3.67Å; M544-F546 HydrophobicContact CG-CD2 4.16Å; M544-F546 HydrophobicContact CG-CE1 3.38Å; M544-F546 HydrophobicContact CG-CE2 3.92Å; M544-F546 HydrophobicContact CG-CG 4.06Å; M544-F546 HydrophobicContact CG-CZ 3.53Å; M544-F546 PolarHBondContact O-N 3.36Å; M544-F546 HydrophobicContact SD-CE1 4.43Å
545	K	87.8	Confident	90	Very high	133 Å²	133	57.7 Å²	57.7	58%	0.578	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	24.8	-176.9	-42.8	-57.9	158.5	-145.2	0	114.8	S541 I542 E543 L547 P603	S541-K545 PolarHBondContact O-N 3.34Å; I542-K545 PolarHBondContact O-N 2.71Å; I542-K545 PolarHBondContact O-NZ 3.11Å; E543-K545 VanDerWaalsContact C-N 3.26Å; E543-K545 WeakPolarHBondContact O-CE 3.36Å; E543-K545 PolarHBondContact O-N 3.04Å; E543-K545 PolarHBondContact O-NZ 3.17Å; K545-L547 VanDerWaalsContact C-N 3.29Å; K545-P603 HydrophobicContact CB-CG 4.37Å
546	F	83.4	Confident	89.7	Confident	4 Å²	4	53 Å²	53	2%	0.018	27%	0.268	C	S	.	.	S	Bend	trans	-72.4	-30.1	164.9	-65.7	-7.9	0	0	0	111.5	Y522 I525 S541 M544 H559 R598 T606	Y522-F546 HydrophobicContact CD2-CE2 4.07Å; Y522-F546 AromaticContact CD2-CZ 3.9Å; Y522-F546 HydrophobicContact CD2-CZ 3.9Å; Y522-F546 HydrophobicContact CE2-CE2 4.01Å; Y522-F546 AromaticContact CE2-CZ 3.99Å; Y522-F546 HydrophobicContact CE2-CZ 3.99Å; I525-F546 HydrophobicContact CD1-CD2 4.19Å; I525-F546 HydrophobicContact CD1-CE2 3.9Å; S541-F546 PolarHBondContact O-N 2.79Å; M544-F546 HydrophobicContact CB-CD1 4.36Å; M544-F546 HydrophobicContact CB-CE1 4.49Å; M544-F546 HydrophobicContact CB-CG 4.41Å; M544-F546 HydrophobicContact CE-CE1 4.39Å; M544-F546 HydrophobicContact CE-CZ 4.06Å; M544-F546 HydrophobicContact CG-CD1 3.67Å; M544-F546 HydrophobicContact CG-CD2 4.16Å; M544-F546 HydrophobicContact CG-CE1 3.38Å; M544-F546 HydrophobicContact CG-CE2 3.92Å; M544-F546 HydrophobicContact CG-CG 4.06Å; M544-F546 HydrophobicContact CG-CZ 3.53Å; M544-F546 PolarHBondContact O-N 3.36Å; M544-F546 HydrophobicContact SD-CE1 4.43Å; F546-H559 AromaticContact CD2-CE1 3.86Å; F546-R598 PolarHBondContact O-NH2 3.31Å; F546-T606 HydrophobicContact CD1-CG2 3.77Å; F546-T606 HydrophobicContact CE1-CG2 3.27Å; F546-T606 WeakPolarHBondContact CE1-OG1 3.35Å; F546-T606 HydrophobicContact CZ-CG2 3.73Å
547	L	85.6	Confident	89.5	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	26%	0.262	C	S	.	.			trans	-121.3	152.2	168.7	-65	176	0	0	0	108.9	S541 I542 K545 E551 M555 E556 H559	S541-L547 PolarHBondContact O-N 2.68Å; S541-L547 VanDerWaalsContact O-N 3.16Å; I542-L547 HydrophobicContact CG1-CB 3.82Å; I542-L547 HydrophobicContact CG1-CD1 4.33Å; K545-L547 VanDerWaalsContact C-N 3.29Å; L547-E551 HydrophobicContact CD2-CG 3.95Å; L547-M555 HydrophobicContact CD2-CE 3.56Å; L547-E556 HydrophobicContact CD1-CG 4.21Å; L547-H559 HydrophobicContact CD2-CB 4Å
548	T	86.2	Confident	89.2	Confident	48 Å²	48	52.4 Å²	52.4	29%	0.294	26%	0.264	S	S	.	.			trans	-85	-22.8	167.3	62.6	0	0	0	0	112.3	Y550 E551 V600	T548-Y550 PolarHBondContact OG1-N 3.29Å; T548-E551 WeakPolarHBondContact CB-OE1 3.37Å; T548-E551 WeakPolarHBondContact CG2-OE1 3.39Å; T548-E551 VanDerWaalsContact N-CD 3.28Å; T548-E551 PolarHBondContact N-OE1 3.09Å; T548-E551 PolarHBondContact N-OE2 3.21Å; T548-E551 PolarHBondContact OG1-OE1 2.89Å; T548-E551 PolarHBondContact OG1-OE2 3.14Å; T548-E551 VanDerWaalsContact OG1-OE2 3.11Å; T548-V600 HydrophobicContact CG2-CB 4.11Å; T548-V600 HydrophobicContact CG2-CG2 3.62Å
549	G	87.4	Confident	88.8	Confident	27 Å²	27	49.2 Å²	49.2	28%	0.278	25%	0.252	S	S	.	.	S	Bend	trans	90.4	2.1	-170.8	0	0	0	0	0	113.6	E551	G549-E551 PolarHBondContact N-OE2 3.36Å
550	Y	87.9	Confident	88.5	Confident	197 Å²	197	46.6 Å²	46.6	77%	0.773	23%	0.23	S	C	*	.			trans	-117.8	6	178.7	-60.1	-81.1	0	0	0	113	T548 L599	T548-Y550 PolarHBondContact OG1-N 3.29Å; Y550-L599 WeakPolarHBondContact O-CD1 3.45Å
551	E	85.7	Confident	88.3	Confident	18 Å²	18	47.5 Å²	47.5	8%	0.084	24%	0.236	C	C	.	.	S	Bend	trans	-57.2	148.4	177.1	-75.2	67.8	-148.3	0	0	112.6	L547 T548 G549 K553 M555	L547-E551 HydrophobicContact CD2-CG 3.95Å; T548-E551 WeakPolarHBondContact CB-OE1 3.37Å; T548-E551 WeakPolarHBondContact CG2-OE1 3.39Å; T548-E551 VanDerWaalsContact N-CD 3.28Å; T548-E551 PolarHBondContact N-OE1 3.09Å; T548-E551 PolarHBondContact N-OE2 3.21Å; T548-E551 PolarHBondContact OG1-OE1 2.89Å; T548-E551 PolarHBondContact OG1-OE2 3.14Å; T548-E551 VanDerWaalsContact OG1-OE2 3.11Å; G549-E551 PolarHBondContact N-OE2 3.36Å; E551-K553 PolarHBondContact O-N 3.2Å; E551-M555 HydrophobicContact CB-CB 4.21Å; E551-M555 HydrophobicContact CB-CG 3.75Å; E551-M555 HydrophobicContact CG-CB 4.5Å; E551-M555 HydrophobicContact CG-CE 4.39Å; E551-M555 HydrophobicContact CG-CG 3.54Å
552	V	90.3	Very high	87.9	Confident	86 Å²	86	48.1 Å²	48.1	52%	0.521	24%	0.242	S	C	.	.			trans	-61.4	137.3	168.5	-175.6	0	0	0	0	108.4	V554 M555 E556	V552-V554 HydrophobicContact CB-CG1 4.46Å; V552-V554 HydrophobicContact CG1-CG1 4.07Å; V552-V554 PolarHBondContact O-N 2.95Å; V552-M555 WeakPolarHBondContact O-CA 3.36Å; V552-M555 WeakPolarHBondContact O-CB 3.25Å; V552-M555 PolarHBondContact O-N 3.07Å; V552-E556 PolarHBondContact O-N 2.75Å
553	K	90.4	Very high	87.7	Confident	132 Å²	132	46.9 Å²	46.9	57%	0.574	24%	0.235	S	C	*	.	H	α-helix	trans	-47.5	-36.1	-173.5	-160.6	-166.1	-175.9	-55.9	0	114.3	E551 M555 E556 D557	E551-K553 PolarHBondContact O-N 3.2Å; K553-M555 VanDerWaalsContact C-N 3.33Å; K553-M555 PolarHBondContact O-N 2.92Å; K553-E556 PolarHBondContact O-N 3.35Å; K553-D557 IonicContact NZ-OD1 2.74Å; K553-D557 PolarHBondContact NZ-OD1 2.71Å; K553-D557 IonicContact NZ-OD2 2.77Å; K553-D557 PolarHBondContact NZ-OD2 3.44Å; K553-D557 WeakPolarHBondContact O-CB 3.26Å; K553-D557 PolarHBondContact O-N 2.92Å
554	V	90	Very high	87.5	Confident	72 Å²	72	44 Å²	44	44%	0.436	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-32.2	177.8	74.7	0	0	0	0	113.9	V552 A558 V593	V552-V554 HydrophobicContact CB-CG1 4.46Å; V552-V554 HydrophobicContact CG1-CG1 4.07Å; V552-V554 PolarHBondContact O-N 2.95Å; V554-A558 VanDerWaalsContact O-CB 3.26Å; V554-A558 WeakPolarHBondContact O-CB 3.28Å; V554-A558 PolarHBondContact O-N 3.41Å; V554-V593 HydrophobicContact CG1-CG1 4.37Å; V554-V593 HydrophobicContact CG2-CG1 3.92Å; V554-V593 WeakPolarHBondContact O-CG1 3.3Å
555	M	87.1	Confident	87.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-77.1	-42.8	172.5	159.8	61.5	-150.6	0	0	111.2	L547 E551 V552 K553 A558 H559 M594 H597 R598	L547-M555 HydrophobicContact CD2-CE 3.56Å; E551-M555 HydrophobicContact CB-CB 4.21Å; E551-M555 HydrophobicContact CB-CG 3.75Å; E551-M555 HydrophobicContact CG-CB 4.5Å; E551-M555 HydrophobicContact CG-CE 4.39Å; E551-M555 HydrophobicContact CG-CG 3.54Å; V552-M555 WeakPolarHBondContact O-CA 3.36Å; V552-M555 WeakPolarHBondContact O-CB 3.25Å; V552-M555 PolarHBondContact O-N 3.07Å; K553-M555 VanDerWaalsContact C-N 3.33Å; K553-M555 PolarHBondContact O-N 2.92Å; M555-A558 PolarHBondContact O-N 3.3Å; M555-H559 HydrophobicContact CE-CB 3.9Å; M555-H559 WeakPolarHBondContact O-CB 3.46Å; M555-H559 PolarHBondContact O-N 3.39Å; M555-M594 HydrophobicContact CE-CE 4.35Å; M555-M594 VanDerWaalsContact SD-CA 3.58Å; M555-M594 HydrophobicContact SD-CB 4.02Å; M555-M594 HydrophobicContact SD-CG 4.03Å; M555-H597 HydrophobicContact CB-CB 3.73Å; M555-R598 HydrophobicContact CE-CG 3.9Å; M555-R598 HydrophobicContact SD-CG 4.06Å
556	E	89.5	Confident	86.9	Confident	26 Å²	26	39.7 Å²	39.7	12%	0.121	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-52.6	176.5	-176.2	177.5	107.3	0	0	110.7	R538 L547 V552 K553 A558 H559 L560	R538-E556 IonicContact CZ-OE1 3.22Å; R538-E556 IonicContact CZ-OE2 2.87Å; R538-E556 IonicContact NE-OE1 3.58Å; R538-E556 PolarHBondContact NE-OE1 3.35Å; R538-E556 IonicContact NE-OE2 3.53Å; R538-E556 PolarHBondContact NE-OE2 2.87Å; R538-E556 VanDerWaalsContact NE-OE2 3.16Å; R538-E556 IonicContact NH2-OE1 2.84Å; R538-E556 IonicContact NH2-OE2 2.9Å; R538-E556 PolarHBondContact NH2-OE2 3.19Å; L547-E556 HydrophobicContact CD1-CG 4.21Å; V552-E556 PolarHBondContact O-N 2.75Å; K553-E556 PolarHBondContact O-N 3.35Å; E556-A558 VanDerWaalsContact C-N 3.34Å; E556-A558 PolarHBondContact O-N 3.03Å; E556-H559 PolarHBondContact O-N 2.92Å; E556-L560 HydrophobicContact CG-CD1 3.91Å; E556-L560 HydrophobicContact CG-CG 4.39Å; E556-L560 VanDerWaalsContact O-CG 3.26Å; E556-L560 WeakPolarHBondContact O-CG 3.44Å; E556-L560 PolarHBondContact O-N 3.16Å
557	D	90.8	Very high	86.9	Confident	39 Å²	39	39.5 Å²	39.5	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-56.2	-46.9	176.2	-74.8	-38.5	0	0	0	111.4	R534 K553 H559 L560 D561	R534-D557 IonicContact CZ-OD1 2.61Å; R534-D557 IonicContact NH2-OD1 2.63Å; R534-D557 PolarHBondContact NH2-OD1 3.47Å; K553-D557 IonicContact NZ-OD1 2.74Å; K553-D557 PolarHBondContact NZ-OD1 2.71Å; K553-D557 IonicContact NZ-OD2 2.77Å; K553-D557 PolarHBondContact NZ-OD2 3.44Å; K553-D557 WeakPolarHBondContact O-CB 3.26Å; K553-D557 PolarHBondContact O-N 2.92Å; D557-H559 VanDerWaalsContact C-N 3.31Å; D557-H559 PolarHBondContact O-N 3.37Å; D557-L560 PolarHBondContact O-N 2.86Å; D557-D561 VanDerWaalsContact O-CB 3.25Å; D557-D561 WeakPolarHBondContact O-CB 3.35Å; D557-D561 PolarHBondContact O-N 3.17Å
558	A	86.4	Confident	86.9	Confident	3 Å²	3	42 Å²	42	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-35.6	-179.8	0	0	0	0	0	113.6	V554 M555 E556 A562 L590 V593 M594	V554-A558 VanDerWaalsContact O-CB 3.26Å; V554-A558 WeakPolarHBondContact O-CB 3.28Å; V554-A558 PolarHBondContact O-N 3.41Å; M555-A558 PolarHBondContact O-N 3.3Å; E556-A558 VanDerWaalsContact C-N 3.34Å; E556-A558 PolarHBondContact O-N 3.03Å; A558-A562 VanDerWaalsContact O-CB 3.32Å; A558-A562 WeakPolarHBondContact O-CB 3.47Å; A558-A562 PolarHBondContact O-N 2.96Å; A558-A562 VanDerWaalsContact O-N 3.16Å; A558-L590 HydrophobicContact CB-CB 4.25Å; A558-L590 HydrophobicContact CB-CD2 3.94Å; A558-V593 HydrophobicContact CB-CB 4.14Å; A558-V593 HydrophobicContact CB-CG1 3.91Å; A558-M594 HydrophobicContact CB-CG 3.93Å
559	H	86.6	Confident	86.8	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-44.1	174.5	175.9	81.2	0	0	0	112.3	S541 F546 L547 M555 E556 D557 I563 M594	S541-H559 WeakPolarHBondContact CB-NE2 3.05Å; S541-H559 PolarHBondContact OG-NE2 3.1Å; F546-H559 AromaticContact CD2-CE1 3.86Å; L547-H559 HydrophobicContact CD2-CB 4Å; M555-H559 HydrophobicContact CE-CB 3.9Å; M555-H559 WeakPolarHBondContact O-CB 3.46Å; M555-H559 PolarHBondContact O-N 3.39Å; E556-H559 PolarHBondContact O-N 2.92Å; D557-H559 VanDerWaalsContact C-N 3.31Å; D557-H559 PolarHBondContact O-N 3.37Å; H559-I563 WeakPolarHBondContact NE2-CD1 3.49Å; H559-I563 PolarHBondContact O-N 3.29Å; H559-M594 HydrophobicContact CB-CE 3.84Å; H559-M594 WeakPolarHBondContact ND1-CE 3.31Å
560	L	90.5	Very high	86.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-42.9	179.2	-62.5	175.6	0	0	0	111.7	R534 V537 R538 E556 D557 I563 L564	R534-L560 HydrophobicContact CG-CB 4.36Å; R534-L560 HydrophobicContact CG-CD1 3.98Å; V537-L560 HydrophobicContact CB-CD2 4.49Å; V537-L560 HydrophobicContact CG1-CD2 3.81Å; R538-L560 HydrophobicContact CB-CD1 4.12Å; R538-L560 HydrophobicContact CB-CD2 3.7Å; R538-L560 HydrophobicContact CG-CD1 4.21Å; R538-L560 HydrophobicContact CG-CD2 4.27Å; E556-L560 HydrophobicContact CG-CD1 3.91Å; E556-L560 HydrophobicContact CG-CG 4.39Å; E556-L560 VanDerWaalsContact O-CG 3.26Å; E556-L560 WeakPolarHBondContact O-CG 3.44Å; E556-L560 PolarHBondContact O-N 3.16Å; D557-L560 PolarHBondContact O-N 2.86Å; L560-I563 PolarHBondContact O-N 3.34Å; L560-L564 WeakPolarHBondContact O-CB 3.34Å; L560-L564 WeakPolarHBondContact O-CD1 3.49Å; L560-L564 WeakPolarHBondContact O-CG 3.39Å; L560-L564 PolarHBondContact O-N 3.25Å
561	D	88.4	Confident	86.7	Confident	58 Å²	58	30.2 Å²	30.2	31%	0.31	16%	0.162	S	C	.	.	H	α-helix	trans	-61.3	-47.9	177.3	-68.8	-4	0	0	0	110.2	R534 D557 I563 L564 I565 L590	R534-D561 IonicContact CZ-OD1 2.71Å; R534-D561 VanDerWaalsContact CZ-OD1 3.22Å; R534-D561 IonicContact NH1-OD1 3.2Å; R534-D561 PolarHBondContact NH1-OD1 3.04Å; R534-D561 IonicContact NH2-OD1 2.73Å; R534-D561 PolarHBondContact NH2-OD1 3.36Å; D557-D561 VanDerWaalsContact O-CB 3.25Å; D557-D561 WeakPolarHBondContact O-CB 3.35Å; D557-D561 PolarHBondContact O-N 3.17Å; D561-I563 VanDerWaalsContact C-N 3.29Å; D561-I563 PolarHBondContact O-N 3.25Å; D561-L564 PolarHBondContact O-N 2.91Å; D561-I565 HydrophobicContact CB-CD1 4.37Å; D561-I565 WeakPolarHBondContact O-CB 3.34Å; D561-I565 VanDerWaalsContact O-CD1 3.26Å; D561-I565 WeakPolarHBondContact O-CD1 3.46Å; D561-I565 WeakPolarHBondContact O-CG1 3.49Å; D561-I565 PolarHBondContact O-N 2.99Å; D561-L590 HydrophobicContact CB-CD1 3.74Å
562	A	83.6	Confident	86.7	Confident	14 Å²	14	31 Å²	31	12%	0.116	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-39	178.4	0	0	0	0	0	112.8	A558 L566 L590 M594	A558-A562 VanDerWaalsContact O-CB 3.32Å; A558-A562 WeakPolarHBondContact O-CB 3.47Å; A558-A562 PolarHBondContact O-N 2.96Å; A558-A562 VanDerWaalsContact O-N 3.16Å; A562-L566 WeakPolarHBondContact O-CG 3.29Å; A562-L566 PolarHBondContact O-N 3.33Å; A562-L590 HydrophobicContact CB-CD1 3.98Å; A562-M594 HydrophobicContact CB-SD 4.43Å
563	I	86.4	Confident	86.3	Confident	13 Å²	13	32.5 Å²	32.5	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-70.4	-44.4	175.8	-71	172.9	0	0	0	111.6	I525 A529 V537 H559 L560 D561 I565 L566 G567	I525-I563 HydrophobicContact CG2-CD1 3.95Å; I525-I563 HydrophobicContact CG2-CG2 3.83Å; A529-I563 HydrophobicContact CB-CG2 3.63Å; V537-I563 HydrophobicContact CG1-CB 4.01Å; V537-I563 HydrophobicContact CG1-CD1 4.1Å; V537-I563 HydrophobicContact CG1-CG2 3.59Å; V537-I563 HydrophobicContact CG2-CG2 4.18Å; H559-I563 WeakPolarHBondContact NE2-CD1 3.49Å; H559-I563 PolarHBondContact O-N 3.29Å; L560-I563 PolarHBondContact O-N 3.34Å; D561-I563 VanDerWaalsContact C-N 3.29Å; D561-I563 PolarHBondContact O-N 3.25Å; I563-I565 VanDerWaalsContact C-N 3.26Å; I563-I565 PolarHBondContact O-N 3.22Å; I563-L566 PolarHBondContact O-N 3.49Å; I563-L566 VanDerWaalsContact O-N 3.17Å; I563-G567 PolarHBondContact O-N 3.16Å
564	L	88.2	Confident	86.2	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.178	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-33	177.5	-72.6	162.3	0	0	0	112.1	R534 L560 D561 G567 E568	R534-L564 HydrophobicContact CB-CD1 4.16Å; R534-L564 HydrophobicContact CG-CD1 4.11Å; R534-L564 VanDerWaalsContact NH1-CD1 3.34Å; L560-L564 WeakPolarHBondContact O-CB 3.34Å; L560-L564 WeakPolarHBondContact O-CD1 3.49Å; L560-L564 WeakPolarHBondContact O-CG 3.39Å; L560-L564 PolarHBondContact O-N 3.25Å; D561-L564 PolarHBondContact O-N 2.91Å; L564-G567 CarbonylContact O-C 3.58Å; L564-G567 WeakPolarHBondContact O-CA 3.24Å; L564-G567 PolarHBondContact O-N 2.79Å; L564-E568 PolarHBondContact O-N 2.99Å
565	I	81.5	Confident	86.1	Confident	23 Å²	23	31 Å²	31	12%	0.118	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-33.7	175.4	-70.4	159.6	0	0	0	111.9	D561 I563 E568 T583 K586 I587 L590	D561-I565 HydrophobicContact CB-CD1 4.37Å; D561-I565 WeakPolarHBondContact O-CB 3.34Å; D561-I565 VanDerWaalsContact O-CD1 3.26Å; D561-I565 WeakPolarHBondContact O-CD1 3.46Å; D561-I565 WeakPolarHBondContact O-CG1 3.49Å; D561-I565 PolarHBondContact O-N 2.99Å; I563-I565 VanDerWaalsContact C-N 3.26Å; I563-I565 PolarHBondContact O-N 3.22Å; I565-E568 VanDerWaalsContact O-CB 3.31Å; I565-E568 WeakPolarHBondContact O-CB 3.34Å; I565-E568 PolarHBondContact O-N 3.2Å; I565-T583 HydrophobicContact CG2-CG2 3.75Å; I565-K586 HydrophobicContact CD1-CB 3.79Å; I565-K586 HydrophobicContact CD1-CD 4.07Å; I565-K586 HydrophobicContact CD1-CG 4.35Å; I565-K586 HydrophobicContact CG1-CD 4.04Å; I565-K586 HydrophobicContact CG2-CB 4.1Å; I565-K586 HydrophobicContact CG2-CD 3.86Å; I565-I587 HydrophobicContact CG2-CD1 4.11Å; I565-I587 HydrophobicContact CG2-CG1 3.87Å; I565-L590 HydrophobicContact CD1-CD1 3.98Å
566	L	78.2	Confident	86.2	Confident	31 Å²	31	31.1 Å²	31.1	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-70.1	-36.3	168.1	-69.1	168.9	0	0	0	111.5	A562 I563 E568 I587 F617	A562-L566 WeakPolarHBondContact O-CG 3.29Å; A562-L566 PolarHBondContact O-N 3.33Å; I563-L566 PolarHBondContact O-N 3.49Å; I563-L566 VanDerWaalsContact O-N 3.17Å; L566-E568 VanDerWaalsContact C-N 3.29Å; L566-E568 PolarHBondContact O-N 3.11Å; L566-I587 HydrophobicContact CD2-CD1 3.72Å; L566-I587 HydrophobicContact CG-CD1 3.99Å; L566-F617 HydrophobicContact CD2-CD1 4.18Å; L566-F617 HydrophobicContact CD2-CE1 4.03Å; L566-F617 HydrophobicContact CD2-CZ 4.25Å
567	G	85.1	Confident	86.1	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-29.7	172.2	0	0	0	0	0	114.1	I563 L564 A569 F570 A571	I563-G567 PolarHBondContact O-N 3.16Å; L564-G567 CarbonylContact O-C 3.58Å; L564-G567 WeakPolarHBondContact O-CA 3.24Å; L564-G567 PolarHBondContact O-N 2.79Å; G567-A569 PolarHBondContact O-N 3.38Å; G567-F570 PolarHBondContact O-N 3.16Å; G567-F570 VanDerWaalsContact O-N 3.11Å; G567-A571 WeakPolarHBondContact O-CB 3.37Å; G567-A571 PolarHBondContact O-N 2.8Å
568	E	84.9	Confident	85.8	Confident	56 Å²	56	30 Å²	30	26%	0.262	16%	0.163	S	C	.	.	H	α-helix	trans	-53	-39	178.6	-166.2	-178.3	137.2	0	0	112.3	L564 I565 L566 Q581 K586	L564-E568 PolarHBondContact O-N 2.99Å; I565-E568 VanDerWaalsContact O-CB 3.31Å; I565-E568 WeakPolarHBondContact O-CB 3.34Å; I565-E568 PolarHBondContact O-N 3.2Å; L566-E568 VanDerWaalsContact C-N 3.29Å; L566-E568 PolarHBondContact O-N 3.11Å; E568-Q581 PolarHBondContact OE1-NE2 2.95Å; E568-K586 VanDerWaalsContact CD-NZ 3.29Å; E568-K586 IonicContact OE1-NZ 3.43Å; E568-K586 PolarHBondContact OE1-NZ 2.96Å; E568-K586 VanDerWaalsContact OE1-NZ 3.1Å; E568-K586 IonicContact OE2-NZ 2.93Å; E568-K586 PolarHBondContact OE2-NZ 2.72Å
569	A	84.3	Confident	85.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-47.8	177.1	0	0	0	0	0	112.5	G567 A571 S572 F576 F617 C629	G567-A569 PolarHBondContact O-N 3.38Å; A569-A571 VanDerWaalsContact C-N 3.28Å; A569-A571 PolarHBondContact O-N 3.22Å; A569-S572 PolarHBondContact O-N 3.33Å; A569-F576 VanDerWaalsContact CA-CD2 3.49Å; A569-F576 HydrophobicContact CB-CD1 4.23Å; A569-F576 HydrophobicContact CB-CD2 3.78Å; A569-F576 HydrophobicContact CB-CE1 4.16Å; A569-F576 HydrophobicContact CB-CE2 3.68Å; A569-F576 HydrophobicContact CB-CG 4.04Å; A569-F576 HydrophobicContact CB-CZ 3.87Å; A569-F617 HydrophobicContact CB-CE1 3.96Å; A569-F617 HydrophobicContact CB-CZ 4.21Å; A569-C629 WeakPolarHBondContact O-CB 3.41Å
570	F	86.4	Confident	84.3	Confident	5 Å²	5	36.5 Å²	36.5	2%	0.022	21%	0.209	C	C	.	.	H	α-helix	trans	-75	-15.2	-179.1	-58.6	-56	0	0	0	113.5	L476 I526 A530 G567 F617 C629 K630 F633	L476-F570 HydrophobicContact CD1-CE1 4.47Å; L476-F570 HydrophobicContact CD2-CZ 4.5Å; I526-F570 HydrophobicContact CG2-CD2 3.86Å; I526-F570 HydrophobicContact CG2-CE2 4.12Å; A530-F570 HydrophobicContact CB-CB 4.19Å; G567-F570 PolarHBondContact O-N 3.16Å; G567-F570 VanDerWaalsContact O-N 3.11Å; F570-F617 HydrophobicContact CE2-CZ 4.1Å; F570-F617 HydrophobicContact CZ-CE2 4.15Å; F570-F617 AromaticContact CZ-CZ 3.99Å; F570-F617 HydrophobicContact CZ-CZ 3.99Å; F570-C629 HydrophobicContact CD1-CB 4.14Å; F570-K630 VanDerWaalsContact O-CA 3.27Å; F570-K630 WeakPolarHBondContact O-CA 3.28Å; F570-K630 VanDerWaalsContact O-CB 3.27Å; F570-K630 WeakPolarHBondContact O-CB 3.42Å; F570-K630 WeakPolarHBondContact O-CG 3.35Å; F570-F633 HydrophobicContact CB-CB 4.05Å; F570-F633 HydrophobicContact CB-CD1 4.03Å; F570-F633 HydrophobicContact CB-CG 4.01Å; F570-F633 HydrophobicContact CD1-CB 3.59Å; F570-F633 HydrophobicContact CD1-CG 4.13Å; F570-F633 HydrophobicContact CE1-CB 4.3Å; F570-F633 HydrophobicContact CG-CB 3.98Å; F570-F633 HydrophobicContact CG-CD2 4.39Å; F570-F633 HydrophobicContact CG-CG 4.04Å
571	A	86.9	Confident	82.8	Confident	19 Å²	19	39.2 Å²	39.2	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-80.8	-22.8	173.1	0	0	0	0	0	113.7	A530 G567 A569	A530-A571 WeakPolarHBondContact O-CB 3.47Å; G567-A571 WeakPolarHBondContact O-CB 3.37Å; G567-A571 PolarHBondContact O-N 2.8Å; A569-A571 VanDerWaalsContact C-N 3.28Å; A569-A571 PolarHBondContact O-N 3.22Å
572	S	85.4	Confident	81.5	Confident	33 Å²	33	39 Å²	39	23%	0.231	22%	0.224	C	C	.	.			trans	-81.6	119.7	-169.8	-173.1	0	0	0	0	113.3	A569 E574 K630	A569-S572 PolarHBondContact O-N 3.33Å; S572-E574 VanDerWaalsContact C-N 3.34Å; S572-E574 PolarHBondContact OG-N 3.18Å; S572-E574 PolarHBondContact OG-O 3.38Å; S572-K630 VanDerWaalsContact O-CB 3.23Å; S572-K630 WeakPolarHBondContact O-CB 3.25Å
573	D	81.5	Confident	80.7	Confident	118 Å²	118	38.5 Å²	38.5	63%	0.631	22%	0.22	S	C	*	.	S	Bend	trans	-68.2	-34.3	165	-60.6	-86.1	0	0	0	111.8	K630	D573-K630 VanDerWaalsContact OD1-CD 3.29Å; D573-K630 WeakPolarHBondContact OD1-CD 3.42Å; D573-K630 IonicContact OD1-NZ 2.67Å; D573-K630 PolarHBondContact OD1-NZ 2.99Å; D573-K630 IonicContact OD2-NZ 2.68Å; D573-K630 PolarHBondContact OD2-NZ 2.94Å
574	E	87.8	Confident	79.7	Confident	133 Å²	133	39.2 Å²	39.2	62%	0.621	23%	0.225	S	C	*	.	S	Bend	trans	-73.9	150	175.8	-77.6	-63.1	145.1	0	0	112	S572 F576	S572-E574 VanDerWaalsContact C-N 3.34Å; S572-E574 PolarHBondContact OG-N 3.18Å; S572-E574 PolarHBondContact OG-O 3.38Å; E574-F576 PolarHBondContact O-N 3.11Å
575	P	88.5	Confident	78.7	Confident	39 Å²	39	43.3 Å²	43.3	25%	0.253	24%	0.244	S	C	.	.			trans	-61.9	110.2	176.3	-21.4	32.9	0	0	0	112.3	R626	P575-R626 HydrophobicContact CB-CG 3.97Å; P575-R626 PolarHBondContact O-NE 3.22Å; P575-R626 VanDerWaalsContact O-NE 3.11Å; P575-R626 PolarHBondContact O-NH2 2.7Å
576	F	88.2	Confident	78.2	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134.1	177.8	-172.8	-87.8	0	0	0	109.9	A569 E574 F578 Q581 T583 R626 F627	A569-F576 VanDerWaalsContact CA-CD2 3.49Å; A569-F576 HydrophobicContact CB-CD1 4.23Å; A569-F576 HydrophobicContact CB-CD2 3.78Å; A569-F576 HydrophobicContact CB-CE1 4.16Å; A569-F576 HydrophobicContact CB-CE2 3.68Å; A569-F576 HydrophobicContact CB-CG 4.04Å; A569-F576 HydrophobicContact CB-CZ 3.87Å; E574-F576 PolarHBondContact O-N 3.11Å; F576-F578 AromaticContact CD1-CD1 3.93Å; F576-F578 HydrophobicContact CD1-CD1 3.93Å; F576-F578 AromaticContact CD1-CD2 3.75Å; F576-F578 HydrophobicContact CD1-CD2 3.75Å; F576-F578 AromaticContact CD1-CE1 3.86Å; F576-F578 HydrophobicContact CD1-CE1 3.86Å; F576-F578 AromaticContact CD1-CE2 3.67Å; F576-F578 HydrophobicContact CD1-CE2 3.67Å; F576-F578 AromaticContact CD1-CG 3.87Å; F576-F578 HydrophobicContact CD1-CG 3.87Å; F576-F578 AromaticContact CD1-CZ 3.73Å; F576-F578 HydrophobicContact CD1-CZ 3.73Å; F576-F578 AromaticContact CE1-CD1 3.7Å; F576-F578 HydrophobicContact CE1-CD1 3.7Å; F576-F578 HydrophobicContact CE1-CD2 4.34Å; F576-F578 AromaticContact CE1-CE1 3.8Å; F576-F578 HydrophobicContact CE1-CE1 3.8Å; F576-F578 HydrophobicContact CE1-CE2 4.41Å; F576-F578 AromaticContact CE1-CG 3.99Å; F576-F578 HydrophobicContact CE1-CG 3.99Å; F576-F578 HydrophobicContact CE1-CZ 4.15Å; F576-Q581 VanDerWaalsContact CD2-OE1 3.25Å; F576-T583 HydrophobicContact CZ-CG2 4.13Å; F576-R626 VanDerWaalsContact O-CA 3.24Å; F576-R626 WeakPolarHBondContact O-CA 3.49Å; F576-F627 PolarHBondContact N-O 3.21Å; F576-F627 VanDerWaalsContact N-O 3.09Å; F576-F627 PolarHBondContact O-N 2.81Å; F576-F627 VanDerWaalsContact O-N 3.17Å
577	D	88.1	Confident	77.8	Confident	35 Å²	35	45.5 Å²	45.5	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	94.8	-175.7	-175.8	-5.6	0	0	0	110.5	G579 T580 Q581 R626	D577-G579 PolarHBondContact O-N 3.23Å; D577-G579 WeakPolarHBondContact OD1-CA 3.31Å; D577-G579 PolarHBondContact OD1-N 3.38Å; D577-T580 PolarHBondContact O-N 3.18Å; D577-T580 PolarHBondContact OD1-N 2.98Å; D577-T580 WeakPolarHBondContact OD2-CB 3.21Å; D577-T580 VanDerWaalsContact OD2-CG2 3.26Å; D577-T580 WeakPolarHBondContact OD2-CG2 3.25Å; D577-T580 PolarHBondContact OD2-OG1 3.36Å; D577-Q581 WeakPolarHBondContact O-CB 3.42Å; D577-Q581 WeakPolarHBondContact O-CG 2.78Å; D577-Q581 PolarHBondContact O-N 3.27Å; D577-R626 HydrophobicContact CB-CB 4.41Å; D577-R626 HydrophobicContact CB-CG 4.02Å
578	F	83.9	Confident	76.9	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.026	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.5	178.5	-62.8	-95	0	0	0	112.6	L472 F576 F617 C620 S621 A625 F627	L472-F578 HydrophobicContact CD1-CE1 4.16Å; L472-F578 HydrophobicContact CD1-CZ 3.66Å; F576-F578 AromaticContact CD1-CD1 3.93Å; F576-F578 HydrophobicContact CD1-CD1 3.93Å; F576-F578 AromaticContact CD1-CD2 3.75Å; F576-F578 HydrophobicContact CD1-CD2 3.75Å; F576-F578 AromaticContact CD1-CE1 3.86Å; F576-F578 HydrophobicContact CD1-CE1 3.86Å; F576-F578 AromaticContact CD1-CE2 3.67Å; F576-F578 HydrophobicContact CD1-CE2 3.67Å; F576-F578 AromaticContact CD1-CG 3.87Å; F576-F578 HydrophobicContact CD1-CG 3.87Å; F576-F578 AromaticContact CD1-CZ 3.73Å; F576-F578 HydrophobicContact CD1-CZ 3.73Å; F576-F578 AromaticContact CE1-CD1 3.7Å; F576-F578 HydrophobicContact CE1-CD1 3.7Å; F576-F578 HydrophobicContact CE1-CD2 4.34Å; F576-F578 AromaticContact CE1-CE1 3.8Å; F576-F578 HydrophobicContact CE1-CE1 3.8Å; F576-F578 HydrophobicContact CE1-CE2 4.41Å; F576-F578 AromaticContact CE1-CG 3.99Å; F576-F578 HydrophobicContact CE1-CG 3.99Å; F576-F578 HydrophobicContact CE1-CZ 4.15Å; F578-F617 HydrophobicContact CD1-CD1 4.24Å; F578-F617 AromaticContact CE1-CD1 3.72Å; F578-F617 HydrophobicContact CE1-CD1 3.72Å; F578-F617 AromaticContact CE1-CE1 3.96Å; F578-F617 HydrophobicContact CE1-CE1 3.96Å; F578-F617 HydrophobicContact CE1-CG 4.12Å; F578-C620 HydrophobicContact CB-CB 3.78Å; F578-C620 HydrophobicContact CD1-CB 3.49Å; F578-C620 VanDerWaalsContact CD1-CB 3.49Å; F578-C620 HydrophobicContact CD2-CB 3.83Å; F578-C620 HydrophobicContact CE1-CB 3.95Å; F578-C620 HydrophobicContact CE2-CB 4.27Å; F578-C620 HydrophobicContact CG-CB 3.42Å; F578-C620 VanDerWaalsContact CG-CB 3.42Å; F578-C620 HydrophobicContact CZ-CB 4.32Å; F578-S621 VanDerWaalsContact O-CA 3.25Å; F578-S621 WeakPolarHBondContact O-CA 3.5Å; F578-S621 WeakPolarHBondContact O-CB 3.4Å; F578-S621 PolarHBondContact O-OG 2.87Å; F578-A625 WeakPolarHBondContact CD2-O 3.26Å; F578-A625 PolarHBondContact N-O 3.24Å; F578-A625 VanDerWaalsContact N-O 3.09Å; F578-F627 HydrophobicContact CD2-CE1 4.06Å; F578-F627 HydrophobicContact CD2-CZ 4.2Å; F578-F627 HydrophobicContact CE2-CD1 4.3Å; F578-F627 HydrophobicContact CE2-CD2 4.34Å; F578-F627 AromaticContact CE2-CE1 3.68Å; F578-F627 HydrophobicContact CE2-CE1 3.68Å; F578-F627 AromaticContact CE2-CE2 3.78Å; F578-F627 HydrophobicContact CE2-CE2 3.78Å; F578-F627 AromaticContact CE2-CZ 3.4Å; F578-F627 HydrophobicContact CE2-CZ 3.4Å; F578-F627 VanDerWaalsContact CE2-CZ 3.4Å; F578-F627 HydrophobicContact CZ-CE2 4.17Å; F578-F627 AromaticContact CZ-CZ 3.9Å; F578-F627 HydrophobicContact CZ-CZ 3.9Å
579	G	74.3	Confident	76.1	Confident	33 Å²	33	49.2 Å²	49.2	34%	0.34	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.1	-177.7	0	0	0	0	0	115.1	D577	D577-G579 PolarHBondContact O-N 3.23Å; D577-G579 WeakPolarHBondContact OD1-CA 3.31Å; D577-G579 PolarHBondContact OD1-N 3.38Å
580	T	67.5	Low	75.4	Confident	110 Å²	110	50.6 Å²	50.6	68%	0.675	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-22.4	179.4	66.6	0	0	0	0	114.8	D577	D577-T580 PolarHBondContact O-N 3.18Å; D577-T580 PolarHBondContact OD1-N 2.98Å; D577-T580 WeakPolarHBondContact OD2-CB 3.21Å; D577-T580 VanDerWaalsContact OD2-CG2 3.26Å; D577-T580 WeakPolarHBondContact OD2-CG2 3.25Å; D577-T580 PolarHBondContact OD2-OG1 3.36Å
581	Q	60.6	Low	74.6	Confident	59 Å²	59	52.7 Å²	52.7	28%	0.276	29%	0.291	S	S	.	.			trans	-73.8	133.5	178.9	-72.3	177.4	-104.8	0	0	111.7	E568 F576 D577 T583	E568-Q581 PolarHBondContact OE1-NE2 2.95Å; F576-Q581 VanDerWaalsContact CD2-OE1 3.25Å; D577-Q581 WeakPolarHBondContact O-CB 3.42Å; D577-Q581 WeakPolarHBondContact O-CG 2.78Å; D577-Q581 PolarHBondContact O-N 3.27Å; Q581-T583 PolarHBondContact O-N 3.35Å
582	S	61.1	Low	73.6	Confident	52 Å²	52	55.4 Å²	55.4	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	17.8	175.2	56.5	0	0	0	0	114.2	T584 E585 K586	S582-T584 VanDerWaalsContact C-N 3.29Å; S582-T584 PolarHBondContact O-N 2.94Å; S582-E585 WeakPolarHBondContact CB-OE2 3.49Å; S582-E585 CarbonylContact O-C 3.48Å; S582-E585 PolarHBondContact O-N 3.09Å; S582-E585 VanDerWaalsContact O-N 3.16Å; S582-K586 VanDerWaalsContact O-CB 3.28Å; S582-K586 WeakPolarHBondContact O-CB 3.34Å; S582-K586 WeakPolarHBondContact O-CG 3.5Å; S582-K586 PolarHBondContact O-N 3.01Å
583	T	65.1	Low	73.1	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-41.1	179.1	-66.6	0	0	0	0	112.4	I565 F576 Q581 I587	I565-T583 HydrophobicContact CG2-CG2 3.75Å; F576-T583 HydrophobicContact CZ-CG2 4.13Å; Q581-T583 PolarHBondContact O-N 3.35Å; T583-I587 HydrophobicContact CG2-CD1 4.23Å; T583-I587 VanDerWaalsContact O-CG1 3.29Å; T583-I587 WeakPolarHBondContact O-CG1 3.15Å; T583-I587 PolarHBondContact O-N 3.16Å; T583-I587 VanDerWaalsContact O-N 3.11Å
584	T	65.2	Low	72.5	Confident	28 Å²	28	51.3 Å²	51.3	17%	0.172	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-52.8	172.6	-56.4	0	0	0	0	111	S582 K586 I587 H588 L618 S621	S582-T584 VanDerWaalsContact C-N 3.29Å; S582-T584 PolarHBondContact O-N 2.94Å; T584-K586 PolarHBondContact O-N 2.76Å; T584-I587 PolarHBondContact O-N 3.01Å; T584-H588 WeakPolarHBondContact CG2-NE2 3.31Å; T584-H588 PolarHBondContact O-CD2 3.36Å; T584-H588 PolarHBondContact O-N 3.47Å; T584-L618 HydrophobicContact CG2-CD2 3.54Å; T584-S621 PolarHBondContact OG1-OG 2.9Å
585	E	67.7	Low	71.5	Confident	120 Å²	120	46.9 Å²	46.9	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-59.7	-46.1	178.1	-176.9	-170.9	-171.2	0	0	113.2	S582 I587 H588 N589	S582-E585 WeakPolarHBondContact CB-OE2 3.49Å; S582-E585 CarbonylContact O-C 3.48Å; S582-E585 PolarHBondContact O-N 3.09Å; S582-E585 VanDerWaalsContact O-N 3.16Å; E585-I587 VanDerWaalsContact C-N 3.33Å; E585-I587 PolarHBondContact O-N 2.92Å; E585-H588 PolarHBondContact O-N 3.38Å; E585-N589 PolarHBondContact O-N 3.32Å; E585-N589 PolarHBondContact O-ND2 3.4Å
586	K	71.9	Confident	70.6	Confident	60 Å²	60	53.8 Å²	53.8	26%	0.261	29%	0.285	S	S	.	.	H	α-helix	trans	-52.3	-50.3	174	-75	171.9	-171.8	164.9	0	110	I565 E568 S582 T584 N589 L590	I565-K586 HydrophobicContact CD1-CB 3.79Å; I565-K586 HydrophobicContact CD1-CD 4.07Å; I565-K586 HydrophobicContact CD1-CG 4.35Å; I565-K586 HydrophobicContact CG1-CD 4.04Å; I565-K586 HydrophobicContact CG2-CB 4.1Å; I565-K586 HydrophobicContact CG2-CD 3.86Å; E568-K586 VanDerWaalsContact CD-NZ 3.29Å; E568-K586 IonicContact OE1-NZ 3.43Å; E568-K586 PolarHBondContact OE1-NZ 2.96Å; E568-K586 VanDerWaalsContact OE1-NZ 3.1Å; E568-K586 IonicContact OE2-NZ 2.93Å; E568-K586 PolarHBondContact OE2-NZ 2.72Å; S582-K586 VanDerWaalsContact O-CB 3.28Å; S582-K586 WeakPolarHBondContact O-CB 3.34Å; S582-K586 WeakPolarHBondContact O-CG 3.5Å; S582-K586 PolarHBondContact O-N 3.01Å; T584-K586 PolarHBondContact O-N 2.76Å; K586-N589 PolarHBondContact O-N 3.38Å; K586-L590 WeakPolarHBondContact O-CG 3.39Å
587	I	68.9	Low	70	Confident	40 Å²	40	56.7 Å²	56.7	21%	0.205	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-42.6	178.8	-68.1	167.8	0	0	0	110.9	I565 L566 T583 T584 E585 N589 L590 I591	I565-I587 HydrophobicContact CG2-CD1 4.11Å; I565-I587 HydrophobicContact CG2-CG1 3.87Å; L566-I587 HydrophobicContact CD2-CD1 3.72Å; L566-I587 HydrophobicContact CG-CD1 3.99Å; T583-I587 HydrophobicContact CG2-CD1 4.23Å; T583-I587 VanDerWaalsContact O-CG1 3.29Å; T583-I587 WeakPolarHBondContact O-CG1 3.15Å; T583-I587 PolarHBondContact O-N 3.16Å; T583-I587 VanDerWaalsContact O-N 3.11Å; T584-I587 PolarHBondContact O-N 3.01Å; E585-I587 VanDerWaalsContact C-N 3.33Å; E585-I587 PolarHBondContact O-N 2.92Å; I587-N589 VanDerWaalsContact C-N 3.33Å; I587-N589 PolarHBondContact O-N 2.96Å; I587-L590 PolarHBondContact O-N 2.73Å; I587-L590 VanDerWaalsContact O-N 3.11Å; I587-I591 HydrophobicContact CG2-CD1 4.19Å; I587-I591 WeakPolarHBondContact O-CG1 3.26Å; I587-I591 PolarHBondContact O-N 3.49Å
588	H	66.1	Low	69.3	Low	28 Å²	28	57.2 Å²	57.2	13%	0.13	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-40.5	176.7	-76.7	-62.1	0	0	0	113.2	D285 A287 T584 E585 L590 I591 P592	D285-H588 VanDerWaalsContact CB-NE2 3.3Å; D285-H588 WeakPolarHBondContact CB-NE2 3.36Å; A287-H588 HydrophobicContact CB-CB 3.91Å; T584-H588 WeakPolarHBondContact CG2-NE2 3.31Å; T584-H588 PolarHBondContact O-CD2 3.36Å; T584-H588 PolarHBondContact O-N 3.47Å; E585-H588 PolarHBondContact O-N 3.38Å; H588-L590 PolarHBondContact O-N 3.25Å; H588-I591 PolarHBondContact O-N 3.26Å; H588-P592 WeakPolarHBondContact O-CD 3.5Å
589	N	68.6	Low	68.8	Low	107 Å²	107	61.5 Å²	61.5	57%	0.572	32%	0.32	S	S	*	.	H	α-helix	trans	-64.5	-21.9	178.4	-72.6	-32.9	0	0	0	113.2	E585 K586 I587	E585-N589 PolarHBondContact O-N 3.32Å; E585-N589 PolarHBondContact O-ND2 3.4Å; K586-N589 PolarHBondContact O-N 3.38Å; I587-N589 VanDerWaalsContact C-N 3.33Å; I587-N589 PolarHBondContact O-N 2.96Å
590	L	70.4	Confident	68.6	Low	29 Å²	29	63.7 Å²	63.7	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-91	-28.6	180	-60.1	173.7	0	0	0	112.9	A558 D561 A562 I565 K586 I587 H588 V593 M594	A558-L590 HydrophobicContact CB-CB 4.25Å; A558-L590 HydrophobicContact CB-CD2 3.94Å; D561-L590 HydrophobicContact CB-CD1 3.74Å; A562-L590 HydrophobicContact CB-CD1 3.98Å; I565-L590 HydrophobicContact CD1-CD1 3.98Å; K586-L590 WeakPolarHBondContact O-CG 3.39Å; I587-L590 PolarHBondContact O-N 2.73Å; I587-L590 VanDerWaalsContact O-N 3.11Å; H588-L590 PolarHBondContact O-N 3.25Å; L590-V593 WeakPolarHBondContact O-CB 3.29Å; L590-V593 PolarHBondContact O-N 2.95Å; L590-V593 VanDerWaalsContact O-N 3.16Å; L590-M594 WeakPolarHBondContact O-CG 3.48Å; L590-M594 PolarHBondContact O-N 3.21Å
591	I	69.6	Low	68.7	Low	48 Å²	48	60.7 Å²	60.7	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-56	-47.4	-178	-72.4	168	0	0	0	113.4	F288 I587 H588 V593 M594 L595	F288-I591 HydrophobicContact CD2-CG2 3.95Å; F288-I591 HydrophobicContact CE2-CG2 4.03Å; I587-I591 HydrophobicContact CG2-CD1 4.19Å; I587-I591 WeakPolarHBondContact O-CG1 3.26Å; I587-I591 PolarHBondContact O-N 3.49Å; H588-I591 PolarHBondContact O-N 3.26Å; I591-V593 VanDerWaalsContact C-N 3.3Å; I591-V593 PolarHBondContact O-N 3.44Å; I591-M594 PolarHBondContact O-N 2.92Å; I591-L595 HydrophobicContact CG2-CD1 3.95Å; I591-L595 HydrophobicContact CG2-CG 4.39Å; I591-L595 WeakPolarHBondContact O-CG 3.26Å; I591-L595 PolarHBondContact O-N 2.85Å
592	P	65.8	Low	69.1	Low	77 Å²	77	58.4 Å²	58.4	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-36.4	178	-25.4	34.7	0	0	0	113.3	H588 R596	H588-P592 WeakPolarHBondContact O-CD 3.5Å; P592-R596 VanDerWaalsContact O-CB 3.29Å; P592-R596 WeakPolarHBondContact O-CB 3.32Å; P592-R596 PolarHBondContact O-N 3.09Å
593	V	73.5	Confident	69.7	Low	39 Å²	39	57.9 Å²	57.9	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-47.5	174.9	-177.5	0	0	0	0	109.8	V554 A558 L590 I591 L595 R596 H597	V554-V593 HydrophobicContact CG1-CG1 4.37Å; V554-V593 HydrophobicContact CG2-CG1 3.92Å; V554-V593 WeakPolarHBondContact O-CG1 3.3Å; A558-V593 HydrophobicContact CB-CB 4.14Å; A558-V593 HydrophobicContact CB-CG1 3.91Å; L590-V593 WeakPolarHBondContact O-CB 3.29Å; L590-V593 PolarHBondContact O-N 2.95Å; L590-V593 VanDerWaalsContact O-N 3.16Å; I591-V593 VanDerWaalsContact C-N 3.3Å; I591-V593 PolarHBondContact O-N 3.44Å; V593-L595 VanDerWaalsContact C-N 3.31Å; V593-L595 PolarHBondContact O-N 3.35Å; V593-R596 PolarHBondContact O-N 3.33Å; V593-H597 WeakPolarHBondContact O-CB 3.5Å; V593-H597 PolarHBondContact O-N 2.78Å; V593-H597 VanDerWaalsContact O-N 3.09Å
594	M	70.8	Confident	69.9	Low	26 Å²	26	60.1 Å²	60.1	13%	0.128	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-29.5	-179.6	-67.9	179.3	73.3	0	0	113.9	M555 A558 H559 A562 L590 I591 R598	M555-M594 HydrophobicContact CE-CE 4.35Å; M555-M594 VanDerWaalsContact SD-CA 3.58Å; M555-M594 HydrophobicContact SD-CB 4.02Å; M555-M594 HydrophobicContact SD-CG 4.03Å; A558-M594 HydrophobicContact CB-CG 3.93Å; H559-M594 HydrophobicContact CB-CE 3.84Å; H559-M594 WeakPolarHBondContact ND1-CE 3.31Å; A562-M594 HydrophobicContact CB-SD 4.43Å; L590-M594 WeakPolarHBondContact O-CG 3.48Å; L590-M594 PolarHBondContact O-N 3.21Å; I591-M594 PolarHBondContact O-N 2.92Å; M594-R598 VanDerWaalsContact O-CB 3.29Å; M594-R598 WeakPolarHBondContact O-CB 3.41Å; M594-R598 WeakPolarHBondContact O-CG 3.45Å
595	L	66.3	Low	70.2	Confident	40 Å²	40	61.6 Å²	61.6	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-77.5	-47.5	174.3	-70.5	173.3	0	0	0	111.6	F288 L389 I591 V593 H597	F288-L595 HydrophobicContact CE2-CD1 3.56Å; F288-L595 HydrophobicContact CZ-CD1 4Å; L389-L595 HydrophobicContact CD2-CD1 4.28Å; L389-L595 HydrophobicContact CD2-CD2 4.37Å; I591-L595 HydrophobicContact CG2-CD1 3.95Å; I591-L595 HydrophobicContact CG2-CG 4.39Å; I591-L595 WeakPolarHBondContact O-CG 3.26Å; I591-L595 PolarHBondContact O-N 2.85Å; V593-L595 VanDerWaalsContact C-N 3.31Å; V593-L595 PolarHBondContact O-N 3.35Å; L595-H597 VanDerWaalsContact C-N 3.32Å; L595-H597 PolarHBondContact O-N 2.9Å
596	R	69.5	Low	70.6	Confident	183 Å²	183	55.9 Å²	55.9	69%	0.691	28%	0.283	S	S	*	.	H	α-helix	trans	-64.9	-32.2	-176.8	-176.6	176.2	-174.6	158.7	6.2	113.9	P592 V593	P592-R596 VanDerWaalsContact O-CB 3.29Å; P592-R596 WeakPolarHBondContact O-CB 3.32Å; P592-R596 PolarHBondContact O-N 3.09Å; V593-R596 PolarHBondContact O-N 3.33Å
597	H	74.8	Confident	70.6	Confident	65 Å²	65	57.2 Å²	57.2	30%	0.301	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	10.7	-170	-66.8	-76.5	0	0	0	114.4	M555 V593 L595	M555-H597 HydrophobicContact CB-CB 3.73Å; V593-H597 WeakPolarHBondContact O-CB 3.5Å; V593-H597 PolarHBondContact O-N 2.78Å; V593-H597 VanDerWaalsContact O-N 3.09Å; L595-H597 VanDerWaalsContact C-N 3.32Å; L595-H597 PolarHBondContact O-N 2.9Å
598	R	73.2	Confident	70.9	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.177	28%	0.278	C	S	.	.			trans	-72.4	135.5	173.8	-120.4	-176.8	174.5	121.2	10.2	111.7	F546 M555 M594 V600	F546-R598 PolarHBondContact O-NH2 3.31Å; M555-R598 HydrophobicContact CE-CG 3.9Å; M555-R598 HydrophobicContact SD-CG 4.06Å; M594-R598 VanDerWaalsContact O-CB 3.29Å; M594-R598 WeakPolarHBondContact O-CB 3.41Å; M594-R598 WeakPolarHBondContact O-CG 3.45Å; R598-V600 WeakPolarHBondContact CD-O 3.42Å
599	L	75	Confident	71.6	Confident	96 Å²	96	54 Å²	54	50%	0.503	27%	0.272	S	S	.	.	S	Bend	trans	-83.9	-34.8	174.1	-61.6	-180	0	0	0	112.6	Y550	Y550-L599 WeakPolarHBondContact O-CD1 3.45Å
600	V	69.6	Low	71.9	Confident	79 Å²	79	52.5 Å²	52.5	48%	0.479	26%	0.261	S	S	.	.	S	Bend	trans	-142.9	141.1	-174.5	-173.2	0	0	0	0	109.1	T548 R598	T548-V600 HydrophobicContact CG2-CB 4.11Å; T548-V600 HydrophobicContact CG2-CG2 3.62Å; R598-V600 WeakPolarHBondContact CD-O 3.42Å
601	P	68.2	Low	72.1	Confident	46 Å²	46	53.4 Å²	53.4	30%	0.299	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-64.6	141.4	169.4	27.3	-35.1	0	0	0	111.3	Y607	P601-Y607 VanDerWaalsContact CB-OH 3.31Å; P601-Y607 WeakPolarHBondContact CB-OH 3.29Å
602	P	70.6	Confident	72.7	Confident	12 Å²	12	51.2 Å²	51.2	8%	0.078	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.4	165.6	174.9	31.1	-36.7	0	0	0	111.9	T606 Y607	P602-T606 HydrophobicContact CB-CG2 4.05Å; P602-T606 HydrophobicContact CG-CG2 4.43Å; P602-Y607 HydrophobicContact CG-CD2 4.32Å; P602-Y607 HydrophobicContact CG-CE1 4.4Å; P602-Y607 HydrophobicContact CG-CE2 3.82Å; P602-Y607 VanDerWaalsContact O-CE2 3.3Å; P602-Y607 WeakPolarHBondContact O-CE2 3.28Å
603	P	73.4	Confident	73.3	Confident	40 Å²	40	47.8 Å²	47.8	26%	0.26	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-52	146.4	175.7	-26.9	33.7	0	0	0	113.5	K545 E605 T606	K545-P603 HydrophobicContact CB-CG 4.37Å; P603-E605 PolarHBondContact O-N 2.86Å; P603-E605 VanDerWaalsContact O-N 3.16Å; P603-T606 WeakPolarHBondContact CD-OG1 3.41Å; P603-T606 WeakPolarHBondContact O-CB 3.45Å; P603-T606 PolarHBondContact O-N 3.49Å; P603-T606 PolarHBondContact O-OG1 3.5Å
604	E	69.1	Low	73.4	Confident	53 Å²	53	47.3 Å²	47.3	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-55.2	-39	-174.2	-171.3	-178	121	0	0	112.8	R400 R512 T606 Y607	R400-E604 WeakPolarHBondContact CD-OE2 3.48Å; R400-E604 IonicContact CZ-OE2 3.31Å; R400-E604 IonicContact NE-OE2 3.98Å; R400-E604 IonicContact NH1-OE2 3.33Å; R400-E604 PolarHBondContact NH1-OE2 3.11Å; R512-E604 IonicContact CZ-OE1 2.69Å; R512-E604 IonicContact NH1-OE1 2.79Å; R512-E604 PolarHBondContact NH1-OE1 2.84Å; R512-E604 IonicContact NH2-OE1 3.78Å; R512-E604 PolarHBondContact NH2-OE1 3.39Å; E604-T606 VanDerWaalsContact C-N 3.28Å; E604-T606 PolarHBondContact O-N 3.06Å; E604-Y607 PolarHBondContact O-N 2.95Å
605	E	72.1	Confident	73.7	Confident	58 Å²	58	46.1 Å²	46.1	27%	0.271	23%	0.226	S	C	.	.	H	α-helix	trans	-53.9	-42.1	175.5	-67.9	161.1	-91.7	0	0	112.6	Y514 F518 P603 Y607 S608 L609	Y514-E605 HydrophobicContact CD1-CB 4.24Å; Y514-E605 HydrophobicContact CE1-CB 3.79Å; Y514-E605 HydrophobicContact CE1-CG 4.41Å; Y514-E605 PolarHBondContact OH-O 3.16Å; Y514-E605 VanDerWaalsContact OH-O 3.06Å; F518-E605 HydrophobicContact CD2-CB 4.37Å; F518-E605 HydrophobicContact CE2-CB 3.98Å; F518-E605 HydrophobicContact CZ-CB 4.27Å; P603-E605 PolarHBondContact O-N 2.86Å; P603-E605 VanDerWaalsContact O-N 3.16Å; E605-Y607 VanDerWaalsContact C-N 3.33Å; E605-Y607 PolarHBondContact O-N 3.03Å; E605-S608 PolarHBondContact O-N 3.39Å; E605-L609 WeakPolarHBondContact O-CB 3.36Å; E605-L609 PolarHBondContact O-N 2.99Å
606	T	75	Confident	74.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-42.8	179.1	-38.9	0	0	0	0	112.2	F546 P602 P603 E604 S608 L609 H610	F546-T606 HydrophobicContact CD1-CG2 3.77Å; F546-T606 HydrophobicContact CE1-CG2 3.27Å; F546-T606 WeakPolarHBondContact CE1-OG1 3.35Å; F546-T606 HydrophobicContact CZ-CG2 3.73Å; P602-T606 HydrophobicContact CB-CG2 4.05Å; P602-T606 HydrophobicContact CG-CG2 4.43Å; P603-T606 WeakPolarHBondContact CD-OG1 3.41Å; P603-T606 WeakPolarHBondContact O-CB 3.45Å; P603-T606 PolarHBondContact O-N 3.49Å; P603-T606 PolarHBondContact O-OG1 3.5Å; E604-T606 VanDerWaalsContact C-N 3.28Å; E604-T606 PolarHBondContact O-N 3.06Å; T606-S608 VanDerWaalsContact C-N 3.32Å; T606-S608 PolarHBondContact O-N 3.36Å; T606-L609 PolarHBondContact O-N 3.39Å; T606-H610 VanDerWaalsContact CG2-CE1 3.46Å; T606-H610 WeakPolarHBondContact CG2-CE1 3.36Å; T606-H610 VanDerWaalsContact O-CB 3.32Å; T606-H610 WeakPolarHBondContact O-CB 3.32Å; T606-H610 PolarHBondContact O-N 3.45Å
607	Y	73	Confident	75.1	Confident	87 Å²	87	36 Å²	36	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-63.9	-42.5	-179.6	-71.6	-86.4	0	0	0	110.8	P601 P602 E604 E605 R611	P601-Y607 VanDerWaalsContact CB-OH 3.31Å; P601-Y607 WeakPolarHBondContact CB-OH 3.29Å; P602-Y607 HydrophobicContact CG-CD2 4.32Å; P602-Y607 HydrophobicContact CG-CE1 4.4Å; P602-Y607 HydrophobicContact CG-CE2 3.82Å; P602-Y607 VanDerWaalsContact O-CE2 3.3Å; P602-Y607 WeakPolarHBondContact O-CE2 3.28Å; E604-Y607 PolarHBondContact O-N 2.95Å; E605-Y607 VanDerWaalsContact C-N 3.33Å; E605-Y607 PolarHBondContact O-N 3.03Å; Y607-R611 WeakPolarHBondContact O-CB 3.14Å; Y607-R611 WeakPolarHBondContact O-CG 3.49Å; Y607-R611 PolarHBondContact O-N 3.24Å
608	S	75.2	Confident	75.3	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-71.3	-38.7	-178	-51.2	0	0	0	0	111.5	R512 E605 T606 R611 K612	R512-S608 PolarHBondContact NE-OG 3.42Å; E605-S608 PolarHBondContact O-N 3.39Å; T606-S608 VanDerWaalsContact C-N 3.32Å; T606-S608 PolarHBondContact O-N 3.36Å; S608-R611 PolarHBondContact OG-NH2 3.39Å; S608-K612 PolarHBondContact O-N 3.49Å
609	L	80.1	Confident	75.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-54.8	173.7	175.7	69.6	0	0	0	112.3	L479 M485 Y514 F518 Y522 E605 T606 R611 K612 M613	L479-L609 HydrophobicContact CD1-CD1 3.56Å; L479-L609 HydrophobicContact CD2-CD1 3.34Å; L479-L609 HydrophobicContact CG-CD1 4.08Å; M485-L609 HydrophobicContact SD-CD1 4.43Å; Y514-L609 HydrophobicContact CE1-CB 4.15Å; Y514-L609 PolarHBondContact OH-N 3.06Å; Y514-L609 VanDerWaalsContact OH-N 3.1Å; F518-L609 HydrophobicContact CE1-CD2 3.57Å; F518-L609 HydrophobicContact CZ-CD2 3.6Å; Y522-L609 HydrophobicContact CD1-CD1 4.44Å; Y522-L609 HydrophobicContact CD1-CD2 4.02Å; Y522-L609 HydrophobicContact CD2-CD2 3.73Å; Y522-L609 HydrophobicContact CE1-CD1 3.96Å; Y522-L609 HydrophobicContact CE1-CD2 3.71Å; Y522-L609 HydrophobicContact CE1-CG 4.12Å; Y522-L609 HydrophobicContact CE2-CD2 3.4Å; Y522-L609 VanDerWaalsContact CE2-CD2 3.4Å; Y522-L609 HydrophobicContact CE2-CG 4.38Å; Y522-L609 HydrophobicContact CG-CD2 4.02Å; E605-L609 WeakPolarHBondContact O-CB 3.36Å; E605-L609 PolarHBondContact O-N 2.99Å; T606-L609 PolarHBondContact O-N 3.39Å; L609-R611 VanDerWaalsContact C-N 3.3Å; L609-R611 PolarHBondContact O-N 3.07Å; L609-K612 PolarHBondContact O-N 2.89Å; L609-K612 VanDerWaalsContact O-N 3.16Å; L609-M613 PolarHBondContact O-N 3.17Å
610	H	75.3	Confident	76.3	Confident	75 Å²	75	28.1 Å²	28.1	35%	0.347	15%	0.149	S	C	.	.	H	α-helix	trans	-67.5	-31.1	-177.4	-68.9	-174.3	0	0	0	111.5	Y522 T606 G614	Y522-H610 AromaticContact CE2-NE2 3.7Å; T606-H610 VanDerWaalsContact CG2-CE1 3.46Å; T606-H610 WeakPolarHBondContact CG2-CE1 3.36Å; T606-H610 VanDerWaalsContact O-CB 3.32Å; T606-H610 WeakPolarHBondContact O-CB 3.32Å; T606-H610 PolarHBondContact O-N 3.45Å; H610-G614 WeakPolarHBondContact O-CA 3.38Å; H610-G614 PolarHBondContact O-N 3.06Å
611	R	74.5	Confident	77	Confident	48 Å²	48	25.5 Å²	25.5	18%	0.181	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-50	168.5	-80.4	-170.5	-42.4	-101.3	10	111.7	E401 P489 Y607 S608 L609 G615	E401-R611 IonicContact OE1-NH2 3.73Å; E401-R611 IonicContact OE2-NH2 3.35Å; E401-R611 PolarHBondContact OE2-NH2 3.22Å; P489-R611 HydrophobicContact CG-CB 3.96Å; P489-R611 WeakPolarHBondContact CG-O 3.15Å; Y607-R611 WeakPolarHBondContact O-CB 3.14Å; Y607-R611 WeakPolarHBondContact O-CG 3.49Å; Y607-R611 PolarHBondContact O-N 3.24Å; S608-R611 PolarHBondContact OG-NH2 3.39Å; L609-R611 VanDerWaalsContact C-N 3.3Å; L609-R611 PolarHBondContact O-N 3.07Å; R611-G615 WeakPolarHBondContact O-CA 3.39Å; R611-G615 PolarHBondContact O-N 3.14Å
612	K	81.8	Confident	77.6	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-71	-44	-178.7	177.2	56.7	177.9	-78.1	0	112.5	E478 M485 Q486 W491 S608 L609 S616	E478-K612 IonicContact OE1-NZ 3.29Å; E478-K612 PolarHBondContact OE1-NZ 2.91Å; E478-K612 WeakPolarHBondContact OE2-CE 3.31Å; E478-K612 IonicContact OE2-NZ 2.75Å; E478-K612 PolarHBondContact OE2-NZ 3.38Å; M485-K612 HydrophobicContact CE-CB 4.31Å; M485-K612 HydrophobicContact CE-CG 3.57Å; M485-K612 HydrophobicContact CG-CG 4.01Å; M485-K612 HydrophobicContact SD-CB 3.8Å; M485-K612 HydrophobicContact SD-CG 3.57Å; M485-K612 VanDerWaalsContact SD-CG 3.57Å; Q486-K612 WeakPolarHBondContact O-CD 3.45Å; Q486-K612 WeakPolarHBondContact O-CG 3.42Å; Q486-K612 PolarHBondContact O-NZ 3.23Å; W491-K612 HydrophobicContact CH2-CD 4.28Å; S608-K612 PolarHBondContact O-N 3.49Å; L609-K612 PolarHBondContact O-N 2.89Å; L609-K612 VanDerWaalsContact O-N 3.16Å; K612-S616 WeakPolarHBondContact O-CB 3.1Å; K612-S616 PolarHBondContact O-N 3.06Å; K612-S616 PolarHBondContact O-OG 2.96Å
613	M	79.3	Confident	78.4	Confident	6 Å²	6	26.9 Å²	26.9	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-50	177.7	-173.8	173.5	-70.1	0	0	111.5	L479 Y522 L609 G615 S616 F617	L479-M613 HydrophobicContact CD1-CE 4.09Å; Y522-M613 HydrophobicContact CE1-CE 3.76Å; L609-M613 PolarHBondContact O-N 3.17Å; M613-G615 PolarHBondContact O-N 3.05Å; M613-S616 WeakPolarHBondContact O-CB 3.29Å; M613-S616 PolarHBondContact O-N 3.03Å; M613-S616 VanDerWaalsContact O-N 3.1Å; M613-F617 HydrophobicContact CG-CD2 4.42Å; M613-F617 HydrophobicContact CG-CE2 4.3Å; M613-F617 WeakPolarHBondContact O-CD2 3.37Å; M613-F617 PolarHBondContact O-N 3.36Å
614	G	75.9	Confident	79.2	Confident	28 Å²	28	30.9 Å²	30.9	29%	0.289	15%	0.148	S	C	.	.	H	α-helix	trans	-60.1	-46.5	176.1	0	0	0	0	0	112.1	H610 S616 F617 L618	H610-G614 WeakPolarHBondContact O-CA 3.38Å; H610-G614 PolarHBondContact O-N 3.06Å; G614-S616 PolarHBondContact O-N 3.31Å; G614-F617 PolarHBondContact O-N 2.66Å; G614-F617 VanDerWaalsContact O-N 3.16Å; G614-L618 WeakPolarHBondContact O-CG 3.4Å; G614-L618 PolarHBondContact O-N 3.39Å
615	G	76.8	Confident	80.2	Confident	2 Å²	2	28.3 Å²	28.3	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-33.3	174.1	0	0	0	0	0	113.5	W491 R611 M613 L618 I619	W491-G615 WeakPolarHBondContact CZ2-O 3.25Å; W491-G615 PolarHBondContact NE1-O 2.89Å; R611-G615 WeakPolarHBondContact O-CA 3.39Å; R611-G615 PolarHBondContact O-N 3.14Å; M613-G615 PolarHBondContact O-N 3.05Å; G615-L618 PolarHBondContact O-N 2.93Å; G615-I619 PolarHBondContact O-N 3.1Å
616	S	84.4	Confident	81.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.7	-36.7	177.5	-55.8	0	0	0	0	111.7	K612 M613 G614 I619 C620	K612-S616 WeakPolarHBondContact O-CB 3.1Å; K612-S616 PolarHBondContact O-N 3.06Å; K612-S616 PolarHBondContact O-OG 2.96Å; M613-S616 WeakPolarHBondContact O-CB 3.29Å; M613-S616 PolarHBondContact O-N 3.03Å; M613-S616 VanDerWaalsContact O-N 3.1Å; G614-S616 PolarHBondContact O-N 3.31Å; S616-I619 VanDerWaalsContact O-CG2 3.25Å; S616-I619 WeakPolarHBondContact O-CG2 3.42Å; S616-C620 PolarHBondContact O-N 2.67Å; S616-C620 PolarHBondContact O-SG 3.16Å
617	F	80.9	Confident	82.1	Confident	10 Å²	10	30.9 Å²	30.9	4%	0.044	14%	0.143	C	C	.	.	H	α-helix	trans	-67	-42.1	170	-84	-122.8	0	0	0	111	L472 L566 A569 F570 F578 M613 G614 I619 C620 S621	L472-F617 HydrophobicContact CD2-CD2 3.98Å; L472-F617 HydrophobicContact CD2-CE2 4Å; L566-F617 HydrophobicContact CD2-CD1 4.18Å; L566-F617 HydrophobicContact CD2-CE1 4.03Å; L566-F617 HydrophobicContact CD2-CZ 4.25Å; A569-F617 HydrophobicContact CB-CE1 3.96Å; A569-F617 HydrophobicContact CB-CZ 4.21Å; F570-F617 HydrophobicContact CE2-CZ 4.1Å; F570-F617 HydrophobicContact CZ-CE2 4.15Å; F570-F617 AromaticContact CZ-CZ 3.99Å; F570-F617 HydrophobicContact CZ-CZ 3.99Å; F578-F617 HydrophobicContact CD1-CD1 4.24Å; F578-F617 AromaticContact CE1-CD1 3.72Å; F578-F617 HydrophobicContact CE1-CD1 3.72Å; F578-F617 AromaticContact CE1-CE1 3.96Å; F578-F617 HydrophobicContact CE1-CE1 3.96Å; F578-F617 HydrophobicContact CE1-CG 4.12Å; M613-F617 HydrophobicContact CG-CD2 4.42Å; M613-F617 HydrophobicContact CG-CE2 4.3Å; M613-F617 WeakPolarHBondContact O-CD2 3.37Å; M613-F617 PolarHBondContact O-N 3.36Å; G614-F617 PolarHBondContact O-N 2.66Å; G614-F617 VanDerWaalsContact O-N 3.16Å; F617-I619 PolarHBondContact O-N 2.85Å; F617-C620 WeakPolarHBondContact O-CA 3.34Å; F617-C620 VanDerWaalsContact O-CB 3.31Å; F617-C620 WeakPolarHBondContact O-CB 3.36Å; F617-C620 PolarHBondContact O-N 2.72Å; F617-S621 PolarHBondContact O-N 3.25Å
618	L	78.1	Confident	83	Confident	38 Å²	38	28.5 Å²	28.5	20%	0.199	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-37.2	179.9	-71.6	171.1	0	0	0	113.4	I283 D285 T584 G614 G615 C620 S621 K622	I283-L618 WeakPolarHBondContact O-CD1 3.45Å; D285-L618 HydrophobicContact CB-CD2 4.4Å; T584-L618 HydrophobicContact CG2-CD2 3.54Å; G614-L618 WeakPolarHBondContact O-CG 3.4Å; G614-L618 PolarHBondContact O-N 3.39Å; G615-L618 PolarHBondContact O-N 2.93Å; L618-C620 VanDerWaalsContact C-N 3.34Å; L618-S621 PolarHBondContact O-N 3.03Å; L618-K622 WeakPolarHBondContact O-CB 3.39Å; L618-K622 PolarHBondContact O-N 2.67Å
619	I	82.3	Confident	83.7	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-31.8	172.6	-169.8	62.1	0	0	0	112.1	I471 W491 G615 S616 F617 L623	I471-I619 HydrophobicContact CG2-CG2 4.28Å; W491-I619 HydrophobicContact CB-CD1 4.04Å; W491-I619 HydrophobicContact CB-CG1 4.33Å; W491-I619 HydrophobicContact CD2-CB 3.99Å; W491-I619 HydrophobicContact CD2-CG1 4.16Å; W491-I619 HydrophobicContact CD2-CG2 3.92Å; W491-I619 HydrophobicContact CE3-CG2 4.37Å; W491-I619 HydrophobicContact CG-CB 3.92Å; W491-I619 HydrophobicContact CG-CD1 4.01Å; W491-I619 HydrophobicContact CG-CG1 3.92Å; W491-I619 HydrophobicContact CG-CG2 4.4Å; W491-I619 HydrophobicContact CH2-CG2 4.31Å; W491-I619 HydrophobicContact CZ2-CG2 3.86Å; G615-I619 PolarHBondContact O-N 3.1Å; S616-I619 VanDerWaalsContact O-CG2 3.25Å; S616-I619 WeakPolarHBondContact O-CG2 3.42Å; F617-I619 PolarHBondContact O-N 2.85Å; I619-L623 HydrophobicContact CD1-CD1 4.01Å; I619-L623 HydrophobicContact CD1-CG 3.93Å; I619-L623 HydrophobicContact CG1-CD1 3.99Å; I619-L623 HydrophobicContact CG1-CG 4.24Å; I619-L623 WeakPolarHBondContact O-CB 3.35Å; I619-L623 WeakPolarHBondContact O-CG 3.49Å; I619-L623 PolarHBondContact O-N 3.22Å
620	C	87.1	Confident	84.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-40.3	170.6	-59.4	0	0	0	0	111.6	C468 F578 S616 F617 L618 K624 A625	C468-C620 HydrophobicContact CB-CB 4.26Å; C468-C620 VanDerWaalsContact CB-SG 3.56Å; F578-C620 HydrophobicContact CB-CB 3.78Å; F578-C620 HydrophobicContact CD1-CB 3.49Å; F578-C620 VanDerWaalsContact CD1-CB 3.49Å; F578-C620 HydrophobicContact CD2-CB 3.83Å; F578-C620 HydrophobicContact CE1-CB 3.95Å; F578-C620 HydrophobicContact CE2-CB 4.27Å; F578-C620 HydrophobicContact CG-CB 3.42Å; F578-C620 VanDerWaalsContact CG-CB 3.42Å; F578-C620 HydrophobicContact CZ-CB 4.32Å; S616-C620 PolarHBondContact O-N 2.67Å; S616-C620 PolarHBondContact O-SG 3.16Å; F617-C620 WeakPolarHBondContact O-CA 3.34Å; F617-C620 VanDerWaalsContact O-CB 3.31Å; F617-C620 WeakPolarHBondContact O-CB 3.36Å; F617-C620 PolarHBondContact O-N 2.72Å; L618-C620 VanDerWaalsContact C-N 3.34Å; C620-K624 PolarHBondContact O-N 3.41Å; C620-A625 HydrophobicContact CB-CB 4.43Å; C620-A625 PolarHBondContact O-N 2.93Å
621	S	83.7	Confident	85	Confident	24 Å²	24	30.8 Å²	30.8	17%	0.168	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-47.8	174.1	-68	0	0	0	0	112.6	F578 T584 F617 L618 L623 K624	F578-S621 VanDerWaalsContact O-CA 3.25Å; F578-S621 WeakPolarHBondContact O-CA 3.5Å; F578-S621 WeakPolarHBondContact O-CB 3.4Å; F578-S621 PolarHBondContact O-OG 2.87Å; T584-S621 PolarHBondContact OG1-OG 2.9Å; F617-S621 PolarHBondContact O-N 3.25Å; L618-S621 PolarHBondContact O-N 3.03Å; S621-L623 PolarHBondContact O-N 3.47Å; S621-K624 WeakPolarHBondContact O-CA 3.44Å; S621-K624 PolarHBondContact O-N 3.22Å
622	K	81.9	Confident	85.9	Confident	86 Å²	86	28.8 Å²	28.8	37%	0.374	15%	0.152	S	C	.	.	H	α-helix	trans	-58.3	-46.3	177.4	-179.9	173.9	-178.6	178.3	0	111.7	D454 E457 L618 K624	D454-K622 PolarHBondContact O-NZ 2.84Å; E457-K622 HydrophobicContact CG-CG 4.41Å; E457-K622 WeakPolarHBondContact OE1-CE 3.26Å; E457-K622 IonicContact OE1-NZ 3.86Å; E457-K622 PolarHBondContact OE1-NZ 3.45Å; L618-K622 WeakPolarHBondContact O-CB 3.39Å; L618-K622 PolarHBondContact O-N 2.67Å; K622-K624 PolarHBondContact O-N 2.61Å
623	L	87.3	Confident	86.4	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	8.2	176.3	-60.3	-176.5	0	0	0	113.2	A456 E457 R464 I467 I619 S621 A625	A456-L623 HydrophobicContact CB-CD1 4.11Å; A456-L623 HydrophobicContact CB-CD2 3.83Å; E457-L623 HydrophobicContact CG-CD2 3.92Å; R464-L623 HydrophobicContact CB-CB 4.39Å; R464-L623 WeakPolarHBondContact CD-O 3.38Å; R464-L623 HydrophobicContact CG-CB 4.4Å; R464-L623 PolarHBondContact NH1-O 2.91Å; I467-L623 HydrophobicContact CG2-CD1 4.25Å; I619-L623 HydrophobicContact CD1-CD1 4.01Å; I619-L623 HydrophobicContact CD1-CG 3.93Å; I619-L623 HydrophobicContact CG1-CD1 3.99Å; I619-L623 HydrophobicContact CG1-CG 4.24Å; I619-L623 WeakPolarHBondContact O-CB 3.35Å; I619-L623 WeakPolarHBondContact O-CG 3.49Å; I619-L623 PolarHBondContact O-N 3.22Å; S621-L623 PolarHBondContact O-N 3.47Å; L623-A625 PolarHBondContact O-N 3.4Å; L623-A625 VanDerWaalsContact O-N 3.14Å
624	K	89.3	Confident	87	Confident	124 Å²	124	31.8 Å²	31.8	54%	0.539	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	46.5	175.7	-61.8	171.8	-175.3	167	0	111.9	Q461 R464 C620 S621 K622	Q461-K624 PolarHBondContact NE2-O 3.14Å; R464-K624 PolarHBondContact NH1-O 2.81Å; C620-K624 PolarHBondContact O-N 3.41Å; S621-K624 WeakPolarHBondContact O-CA 3.44Å; S621-K624 PolarHBondContact O-N 3.22Å; K622-K624 PolarHBondContact O-N 2.61Å
625	A	90.9	Very high	87.8	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.			trans	-80.5	147.8	-174.9	0	0	0	0	0	110.9	N465 C468 F578 C620 L623 F627	N465-A625 WeakPolarHBondContact OD1-CA 3.2Å; C468-A625 HydrophobicContact CB-CB 3.56Å; F578-A625 WeakPolarHBondContact CD2-O 3.26Å; F578-A625 PolarHBondContact N-O 3.24Å; F578-A625 VanDerWaalsContact N-O 3.09Å; C620-A625 HydrophobicContact CB-CB 4.43Å; C620-A625 PolarHBondContact O-N 2.93Å; L623-A625 PolarHBondContact O-N 3.4Å; L623-A625 VanDerWaalsContact O-N 3.14Å; A625-F627 HydrophobicContact CB-CD1 4.01Å; A625-F627 HydrophobicContact CB-CE1 3.69Å
626	R	92.7	Very high	88.6	Confident	112 Å²	112	36.6 Å²	36.6	42%	0.423	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.9	177.8	-177.5	176.9	178.8	-101.9	-8.8	111.5	N465 P575 F576 D577	N465-R626 VanDerWaalsContact CG-O 3.3Å; N465-R626 PolarHBondContact ND2-O 3.3Å; N465-R626 PolarHBondContact OD1-N 2.89Å; N465-R626 PolarHBondContact OD1-O 3.2Å; P575-R626 HydrophobicContact CB-CG 3.97Å; P575-R626 PolarHBondContact O-NE 3.22Å; P575-R626 VanDerWaalsContact O-NE 3.11Å; P575-R626 PolarHBondContact O-NH2 2.7Å; F576-R626 VanDerWaalsContact O-CA 3.24Å; F576-R626 WeakPolarHBondContact O-CA 3.49Å; D577-R626 HydrophobicContact CB-CB 4.41Å; D577-R626 HydrophobicContact CB-CG 4.02Å
627	F	92.8	Very high	89	Confident	1 Å²	1	39 Å²	39	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	155.1	-176.3	54.5	-95.7	0	0	0	112.2	F125 C468 Y469 L472 F576 F578 A625 C629 M632	F125-F627 HydrophobicContact CZ-CB 4.49Å; C468-F627 HydrophobicContact CB-CE1 3.54Å; C468-F627 HydrophobicContact CB-CZ 4.09Å; Y469-F627 HydrophobicContact CD2-CB 4.4Å; Y469-F627 AromaticContact CD2-CD2 3.6Å; Y469-F627 HydrophobicContact CD2-CD2 3.6Å; Y469-F627 HydrophobicContact CD2-CE2 4.07Å; Y469-F627 HydrophobicContact CD2-CG 4.14Å; Y469-F627 HydrophobicContact CG-CD2 4.39Å; L472-F627 HydrophobicContact CD1-CE2 3.92Å; L472-F627 HydrophobicContact CD1-CZ 3.8Å; F576-F627 PolarHBondContact N-O 3.21Å; F576-F627 VanDerWaalsContact N-O 3.09Å; F576-F627 PolarHBondContact O-N 2.81Å; F576-F627 VanDerWaalsContact O-N 3.17Å; F578-F627 HydrophobicContact CD2-CE1 4.06Å; F578-F627 HydrophobicContact CD2-CZ 4.2Å; F578-F627 HydrophobicContact CE2-CD1 4.3Å; F578-F627 HydrophobicContact CE2-CD2 4.34Å; F578-F627 AromaticContact CE2-CE1 3.68Å; F578-F627 HydrophobicContact CE2-CE1 3.68Å; F578-F627 AromaticContact CE2-CE2 3.78Å; F578-F627 HydrophobicContact CE2-CE2 3.78Å; F578-F627 AromaticContact CE2-CZ 3.4Å; F578-F627 HydrophobicContact CE2-CZ 3.4Å; F578-F627 VanDerWaalsContact CE2-CZ 3.4Å; F578-F627 HydrophobicContact CZ-CE2 4.17Å; F578-F627 AromaticContact CZ-CZ 3.9Å; F578-F627 HydrophobicContact CZ-CZ 3.9Å; A625-F627 HydrophobicContact CB-CD1 4.01Å; A625-F627 HydrophobicContact CB-CE1 3.69Å; F627-C629 WeakPolarHBondContact CE2-SG 3.18Å; F627-M632 HydrophobicContact CE2-CE 4.25Å; F627-M632 HydrophobicContact CE2-SD 4.32Å
628	P	92.3	Very high	89.6	Confident	37 Å²	37	41.2 Å²	41.2	24%	0.24	21%	0.208	C	C	.	.			trans	-72.5	128.9	178.3	29.4	-34.2	0	0	0	110.9
629	C	90.8	Very high	90.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.			trans	-104.1	-24.2	-175.1	-63.5	0	0	0	0	113.7	A569 F570 F627 A631 M632 F633	A569-C629 WeakPolarHBondContact O-CB 3.41Å; F570-C629 HydrophobicContact CD1-CB 4.14Å; F627-C629 WeakPolarHBondContact CE2-SG 3.18Å; C629-A631 PolarHBondContact O-N 3.05Å; C629-M632 HydrophobicContact CB-SD 4.04Å; C629-M632 VanDerWaalsContact O-CG 3.25Å; C629-M632 WeakPolarHBondContact O-CG 3.35Å; C629-M632 PolarHBondContact O-N 3.39Å; C629-F633 PolarHBondContact O-N 3Å
630	K	91.4	Very high	90.7	Very high	58 Å²	58	40.5 Å²	40.5	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-56.7	-46.8	-178.7	-177.5	-179	-169.6	-176.3	0	113.6	F570 S572 D573 M632 F633 E634	F570-K630 VanDerWaalsContact O-CA 3.27Å; F570-K630 WeakPolarHBondContact O-CA 3.28Å; F570-K630 VanDerWaalsContact O-CB 3.27Å; F570-K630 WeakPolarHBondContact O-CB 3.42Å; F570-K630 WeakPolarHBondContact O-CG 3.35Å; S572-K630 VanDerWaalsContact O-CB 3.23Å; S572-K630 WeakPolarHBondContact O-CB 3.25Å; D573-K630 VanDerWaalsContact OD1-CD 3.29Å; D573-K630 WeakPolarHBondContact OD1-CD 3.42Å; D573-K630 IonicContact OD1-NZ 2.67Å; D573-K630 PolarHBondContact OD1-NZ 2.99Å; D573-K630 IonicContact OD2-NZ 2.68Å; D573-K630 PolarHBondContact OD2-NZ 2.94Å; K630-M632 VanDerWaalsContact C-N 3.32Å; K630-M632 PolarHBondContact O-N 3.09Å; K630-F633 PolarHBondContact O-N 2.92Å; K630-E634 HydrophobicContact CG-CG 4.25Å; K630-E634 WeakPolarHBondContact O-CG 3.03Å; K630-E634 PolarHBondContact O-N 3.44Å
631	A	91.4	Very high	90.9	Very high	65 Å²	65	46.8 Å²	46.8	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-40.7	-179	0	0	0	0	0	113	C629 F633 E635	C629-A631 PolarHBondContact O-N 3.05Å; A631-F633 VanDerWaalsContact C-N 3.32Å; A631-F633 PolarHBondContact O-N 3.29Å; A631-E635 WeakPolarHBondContact O-CB 3.28Å; A631-E635 PolarHBondContact O-N 2.93Å
632	M	92.3	Very high	91.2	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-29.9	-179	89.9	-146.8	-58.7	0	0	112.2	Y469 L472 V473 L476 F627 C629 K630 A636	Y469-M632 HydrophobicContact CD1-CE 4.31Å; Y469-M632 HydrophobicContact CD2-CE 3.58Å; Y469-M632 HydrophobicContact CD2-SD 4.46Å; Y469-M632 HydrophobicContact CE1-CE 4.34Å; Y469-M632 HydrophobicContact CE2-CB 4.31Å; Y469-M632 HydrophobicContact CE2-CE 3.62Å; Y469-M632 HydrophobicContact CE2-SD 4.25Å; Y469-M632 HydrophobicContact CG-CE 3.94Å; Y469-M632 VanDerWaalsContact O-CE 3.25Å; Y469-M632 WeakPolarHBondContact O-CE 3.26Å; L472-M632 HydrophobicContact CB-CE 3.67Å; L472-M632 HydrophobicContact CB-SD 4.24Å; V473-M632 HydrophobicContact CG2-CB 4.29Å; V473-M632 HydrophobicContact CG2-CE 3.54Å; L476-M632 HydrophobicContact CD1-CG 3.7Å; F627-M632 HydrophobicContact CE2-CE 4.25Å; F627-M632 HydrophobicContact CE2-SD 4.32Å; C629-M632 HydrophobicContact CB-SD 4.04Å; C629-M632 VanDerWaalsContact O-CG 3.25Å; C629-M632 WeakPolarHBondContact O-CG 3.35Å; C629-M632 PolarHBondContact O-N 3.39Å; K630-M632 VanDerWaalsContact C-N 3.32Å; K630-M632 PolarHBondContact O-N 3.09Å; M632-A636 WeakPolarHBondContact O-CB 3.43Å; M632-A636 PolarHBondContact O-N 3.48Å
633	F	92.2	Very high	91.4	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-78.8	-42.5	175.4	177.7	-107.7	0	0	0	112.2	L476 I526 R527 A530 F570 C629 K630 A631 E635 A636 Y637	L476-F633 HydrophobicContact CD2-CD2 4.39Å; I526-F633 HydrophobicContact CB-CE2 4.07Å; I526-F633 HydrophobicContact CB-CZ 4.17Å; I526-F633 HydrophobicContact CG2-CD2 4.17Å; I526-F633 HydrophobicContact CG2-CE2 3.49Å; I526-F633 VanDerWaalsContact CG2-CE2 3.49Å; I526-F633 HydrophobicContact CG2-CZ 3.74Å; R527-F633 HydrophobicContact CB-CZ 4.32Å; A530-F633 HydrophobicContact CB-CE1 4.2Å; F570-F633 HydrophobicContact CB-CB 4.05Å; F570-F633 HydrophobicContact CB-CD1 4.03Å; F570-F633 HydrophobicContact CB-CG 4.01Å; F570-F633 HydrophobicContact CD1-CB 3.59Å; F570-F633 HydrophobicContact CD1-CG 4.13Å; F570-F633 HydrophobicContact CE1-CB 4.3Å; F570-F633 HydrophobicContact CG-CB 3.98Å; F570-F633 HydrophobicContact CG-CD2 4.39Å; F570-F633 HydrophobicContact CG-CG 4.04Å; C629-F633 PolarHBondContact O-N 3Å; K630-F633 PolarHBondContact O-N 2.92Å; A631-F633 VanDerWaalsContact C-N 3.32Å; A631-F633 PolarHBondContact O-N 3.29Å; F633-E635 VanDerWaalsContact C-N 3.3Å; F633-E635 PolarHBondContact O-N 3.36Å; F633-A636 PolarHBondContact O-N 3.49Å; F633-Y637 HydrophobicContact CZ-CD2 4.42Å; F633-Y637 VanDerWaalsContact O-CB 3.28Å; F633-Y637 WeakPolarHBondContact O-CB 3.33Å; F633-Y637 PolarHBondContact O-N 3.29Å
634	E	92.8	Very high	91.3	Very high	70 Å²	70	52.7 Å²	52.7	33%	0.327	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-37.5	174.8	-71.2	-69.7	-175.7	0	0	111.8	R527 K630 S638	R527-E634 IonicContact CZ-OE1 2.79Å; R527-E634 IonicContact CZ-OE2 2.73Å; R527-E634 IonicContact NH1-OE1 3.33Å; R527-E634 PolarHBondContact NH1-OE1 3.31Å; R527-E634 IonicContact NH1-OE2 3.57Å; R527-E634 PolarHBondContact NH1-OE2 3.42Å; R527-E634 IonicContact NH2-OE1 3.16Å; R527-E634 PolarHBondContact NH2-OE1 3Å; R527-E634 VanDerWaalsContact NH2-OE1 3.16Å; K630-E634 HydrophobicContact CG-CG 4.25Å; K630-E634 WeakPolarHBondContact O-CG 3.03Å; K630-E634 PolarHBondContact O-N 3.44Å; E634-S638 WeakPolarHBondContact O-CB 3.43Å; E634-S638 PolarHBondContact O-N 2.9Å
635	E	93.1	Very high	90.9	Very high	118 Å²	118	50.9 Å²	50.9	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-64.2	-49.3	172.6	-160.1	-155.9	142.4	0	0	111.6	A631 F633 Y637 S638 N639	A631-E635 WeakPolarHBondContact O-CB 3.28Å; A631-E635 PolarHBondContact O-N 2.93Å; F633-E635 VanDerWaalsContact C-N 3.3Å; F633-E635 PolarHBondContact O-N 3.36Å; E635-Y637 PolarHBondContact O-N 2.93Å; E635-S638 PolarHBondContact O-N 2.98Å; E635-N639 VanDerWaalsContact O-CB 3.29Å; E635-N639 WeakPolarHBondContact O-CB 3.44Å; E635-N639 PolarHBondContact O-N 3.28Å; E635-N639 PolarHBondContact O-ND2 3.09Å; E635-N639 PolarHBondContact OE1-ND2 3.06Å
636	A	92.7	Very high	90.1	Very high	13 Å²	13	57.9 Å²	57.9	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-44.1	177.9	0	0	0	0	0	112	L476 M632 F633 N639 Y640	L476-A636 HydrophobicContact CB-CB 4.18Å; L476-A636 HydrophobicContact CD1-CB 4.31Å; M632-A636 WeakPolarHBondContact O-CB 3.43Å; M632-A636 PolarHBondContact O-N 3.48Å; F633-A636 PolarHBondContact O-N 3.49Å; A636-N639 PolarHBondContact O-N 3.26Å; A636-Y640 WeakPolarHBondContact O-CB 3.34Å; A636-Y640 PolarHBondContact O-N 2.87Å
637	Y	92.9	Very high	88.6	Confident	50 Å²	50	60.5 Å²	60.5	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-47.3	177.2	-172.9	-97	0	0	0	111.9	I523 R527 F633 E635 N639 Y640 R641	I523-Y637 HydrophobicContact CD1-CD2 3.78Å; I523-Y637 HydrophobicContact CG1-CD2 3.91Å; I523-Y637 HydrophobicContact CG1-CE2 4.44Å; R527-Y637 HydrophobicContact CB-CD2 4.3Å; R527-Y637 HydrophobicContact CB-CE2 3.84Å; R527-Y637 HydrophobicContact CG-CD2 4.48Å; R527-Y637 HydrophobicContact CG-CE2 3.87Å; F633-Y637 HydrophobicContact CZ-CD2 4.42Å; F633-Y637 VanDerWaalsContact O-CB 3.28Å; F633-Y637 WeakPolarHBondContact O-CB 3.33Å; F633-Y637 PolarHBondContact O-N 3.29Å; E635-Y637 PolarHBondContact O-N 2.93Å; Y637-N639 PolarHBondContact O-N 3.49Å; Y637-Y640 WeakPolarHBondContact O-CB 3.4Å; Y637-Y640 PolarHBondContact O-N 3.47Å; Y637-R641 HydrophobicContact CD1-CG 4.07Å; Y637-R641 HydrophobicContact CE1-CG 3.68Å; Y637-R641 HydrophobicContact CE2-CG 4.35Å; Y637-R641 VanDerWaalsContact O-CG 3.32Å; Y637-R641 WeakPolarHBondContact O-CG 3.41Å; Y637-R641 PolarHBondContact O-N 3.49Å
638	S	93.1	Very high	88.4	Confident	57 Å²	57	63.5 Å²	63.5	40%	0.399	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-46.1	175.2	179.5	0	0	0	0	111.6	E634 E635 R642	E634-S638 WeakPolarHBondContact O-CB 3.43Å; E634-S638 PolarHBondContact O-N 2.9Å; E635-S638 PolarHBondContact O-N 2.98Å; S638-R642 VanDerWaalsContact O-CB 3.29Å; S638-R642 WeakPolarHBondContact O-CB 3.19Å; S638-R642 PolarHBondContact O-N 2.93Å; S638-R642 PolarHBondContact OG-NH2 3.34Å
639	N	92.3	Very high	88.2	Confident	23 Å²	23	64.9 Å²	64.9	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-39.1	177.1	-72	-22.8	0	0	0	111.7	E635 A636 Y637 R642 R643	E635-N639 VanDerWaalsContact O-CB 3.29Å; E635-N639 WeakPolarHBondContact O-CB 3.44Å; E635-N639 PolarHBondContact O-N 3.28Å; E635-N639 PolarHBondContact O-ND2 3.09Å; E635-N639 PolarHBondContact OE1-ND2 3.06Å; A636-N639 PolarHBondContact O-N 3.26Å; Y637-N639 PolarHBondContact O-N 3.49Å; N639-R642 VanDerWaalsContact OD1-CZ 3.23Å; N639-R642 PolarHBondContact OD1-NH1 3.46Å; N639-R642 PolarHBondContact OD1-NH2 3Å; N639-R643 WeakPolarHBondContact O-CD 3.37Å; N639-R643 VanDerWaalsContact O-CG 3.27Å; N639-R643 WeakPolarHBondContact O-CG 3.34Å; N639-R643 PolarHBondContact O-N 3.46Å; N639-R643 VanDerWaalsContact O-N 3.14Å
640	Y	91.7	Very high	88	Confident	5 Å²	5	68.5 Å²	68.5	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-53.2	175.2	-165.2	-100.2	0	0	0	112.2	F480 H483 T519 D520 I523 A636 Y637 R642 R643 Q644	F480-Y640 HydrophobicContact CB-CD2 3.66Å; F480-Y640 HydrophobicContact CB-CE2 4.23Å; F480-Y640 HydrophobicContact CB-CG 4.42Å; F480-Y640 HydrophobicContact CD1-CD2 4.24Å; F480-Y640 HydrophobicContact CD1-CE2 4.18Å; F480-Y640 HydrophobicContact CG-CD2 4.35Å; F480-Y640 VanDerWaalsContact O-CD2 3.3Å; F480-Y640 WeakPolarHBondContact O-CD2 3.42Å; H483-Y640 AromaticContact NE2-CE2 3.66Å; T519-Y640 WeakPolarHBondContact CB-OH 3.34Å; T519-Y640 PolarHBondContact OG1-OH 2.63Å; D520-Y640 PolarHBondContact N-OH 2.74Å; D520-Y640 VanDerWaalsContact N-OH 3.15Å; D520-Y640 WeakPolarHBondContact OD1-CE1 3.41Å; D520-Y640 VanDerWaalsContact OD1-CZ 3.23Å; D520-Y640 PolarHBondContact OD1-OH 2.63Å; I523-Y640 HydrophobicContact CD1-CD1 3.83Å; I523-Y640 HydrophobicContact CD1-CD2 4.27Å; I523-Y640 HydrophobicContact CD1-CG 3.66Å; I523-Y640 HydrophobicContact CG2-CD1 3.81Å; I523-Y640 HydrophobicContact CG2-CE1 3.73Å; A636-Y640 WeakPolarHBondContact O-CB 3.34Å; A636-Y640 PolarHBondContact O-N 2.87Å; Y637-Y640 WeakPolarHBondContact O-CB 3.4Å; Y637-Y640 PolarHBondContact O-N 3.47Å; Y640-R642 VanDerWaalsContact C-N 3.27Å; Y640-R642 PolarHBondContact O-N 3.47Å; Y640-R643 WeakPolarHBondContact O-CB 3.32Å; Y640-R643 PolarHBondContact O-N 2.83Å; Y640-R643 VanDerWaalsContact O-N 3.1Å; Y640-Q644 HydrophobicContact CD1-CG 4.22Å; Y640-Q644 HydrophobicContact CE1-CG 4.08Å; Y640-Q644 PolarHBondContact O-N 3.43Å
641	R	90.8	Very high	87.8	Confident	131 Å²	131	69.1 Å²	69.1	49%	0.494	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-35.6	179.4	-65.1	-67.6	-71.3	154.9	-6.8	111.9	Y637 Q644 A645	Y637-R641 HydrophobicContact CD1-CG 4.07Å; Y637-R641 HydrophobicContact CE1-CG 3.68Å; Y637-R641 HydrophobicContact CE2-CG 4.35Å; Y637-R641 VanDerWaalsContact O-CG 3.32Å; Y637-R641 WeakPolarHBondContact O-CG 3.41Å; Y637-R641 PolarHBondContact O-N 3.49Å; R641-Q644 PolarHBondContact O-N 3.28Å; R641-A645 WeakPolarHBondContact O-CB 3.48Å; R641-A645 PolarHBondContact O-N 3.22Å
642	R	91.2	Very high	87.6	Confident	123 Å²	123	69.4 Å²	69.4	46%	0.464	34%	0.335	S	S	.	.	H	α-helix	trans	-67	-36.8	175.9	-153.4	-177.3	-46.5	122.6	17	112.4	S638 N639 Y640 A645 Q646	S638-R642 VanDerWaalsContact O-CB 3.29Å; S638-R642 WeakPolarHBondContact O-CB 3.19Å; S638-R642 PolarHBondContact O-N 2.93Å; S638-R642 PolarHBondContact OG-NH2 3.34Å; N639-R642 VanDerWaalsContact OD1-CZ 3.23Å; N639-R642 PolarHBondContact OD1-NH1 3.46Å; N639-R642 PolarHBondContact OD1-NH2 3Å; Y640-R642 VanDerWaalsContact C-N 3.27Å; Y640-R642 PolarHBondContact O-N 3.47Å; R642-A645 PolarHBondContact O-N 2.92Å; R642-Q646 VanDerWaalsContact O-CG 3.25Å; R642-Q646 WeakPolarHBondContact O-CG 3.35Å; R642-Q646 PolarHBondContact O-N 3.41Å
643	R	86.6	Confident	87.3	Confident	66 Å²	66	73.6 Å²	73.6	25%	0.249	36%	0.356	C	S	.	.	H	α-helix	trans	-70.3	-40.8	174.2	-67.8	161.4	-169.5	147.9	5.5	111.9	F480 E481 N639 Y640 A645 Q646 Q647	F480-R643 PolarHBondContact O-NH1 2.9Å; E481-R643 VanDerWaalsContact CD-NH2 3.33Å; E481-R643 IonicContact OE2-CZ 3.13Å; E481-R643 IonicContact OE2-NH1 3.51Å; E481-R643 IonicContact OE2-NH2 3.17Å; E481-R643 PolarHBondContact OE2-NH2 3.07Å; N639-R643 WeakPolarHBondContact O-CD 3.37Å; N639-R643 VanDerWaalsContact O-CG 3.27Å; N639-R643 WeakPolarHBondContact O-CG 3.34Å; N639-R643 PolarHBondContact O-N 3.46Å; N639-R643 VanDerWaalsContact O-N 3.14Å; Y640-R643 WeakPolarHBondContact O-CB 3.32Å; Y640-R643 PolarHBondContact O-N 2.83Å; Y640-R643 VanDerWaalsContact O-N 3.1Å; R643-A645 VanDerWaalsContact C-N 3.29Å; R643-A645 PolarHBondContact O-N 3.47Å; R643-Q646 PolarHBondContact O-N 3.14Å; R643-Q647 PolarHBondContact O-NE2 2.9Å
644	Q	83.6	Confident	86.9	Confident	46 Å²	46	78.8 Å²	78.8	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-59.2	-40.2	173	-74.6	-176.8	-35.4	0	0	111.8	D520 Y640 R641 Q646	D520-Q644 PolarHBondContact OD1-NE2 2.91Å; Y640-Q644 HydrophobicContact CD1-CG 4.22Å; Y640-Q644 HydrophobicContact CE1-CG 4.08Å; Y640-Q644 PolarHBondContact O-N 3.43Å; R641-Q644 PolarHBondContact O-N 3.28Å; Q644-Q646 PolarHBondContact O-N 2.94Å
645	A	80.5	Confident	86.5	Confident	86 Å²	86	79.5 Å²	79.5	71%	0.711	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	4.9	-179.7	0	0	0	0	0	115	R641 R642 R643	R641-A645 WeakPolarHBondContact O-CB 3.48Å; R641-A645 PolarHBondContact O-N 3.22Å; R642-A645 PolarHBondContact O-N 2.92Å; R643-A645 VanDerWaalsContact C-N 3.29Å; R643-A645 PolarHBondContact O-N 3.47Å
646	Q	75.1	Confident	85.9	Confident	147 Å²	147	76.3 Å²	76.3	69%	0.687	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	10.5	177.8	-76.7	173.7	-18.7	0	0	112.5	R642 R643 Q644	R642-Q646 VanDerWaalsContact O-CG 3.25Å; R642-Q646 WeakPolarHBondContact O-CG 3.35Å; R642-Q646 PolarHBondContact O-N 3.41Å; R643-Q646 PolarHBondContact O-N 3.14Å; Q644-Q646 PolarHBondContact O-N 2.94Å
647	Q	60.8	Low	85.3	Confident	168 Å²	168	82 Å²	82	79%	0.785	40%	0.395	S	S	*	.			trans	-133.4	0	-173.5	-70.9	161.5	48.1	0	0	109.9	R643	R643-Q647 PolarHBondContact O-NE2 2.9Å

Retrieved 647 of 647 residues in 550.8 ms (Link to these results)

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