A0A077YZJ0_TRITR Loading...

EGF CA domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 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	43.2	Very low	46.3	Very low	220 Å²	220	127.2 Å²	127.2	100%	1.084	64%	0.642	S	S	*	*				0	-8.8	0	-80	179.8	164.2	0	0	114.3	T4	M1-T4 PolarHBondContact O-OG1 3.15Å
2	T	43.7	Very low	46.7	Very low	123 Å²	123	120.9 Å²	120.9	76%	0.755	62%	0.624	S	S	*	*			trans	-86.9	-22.2	179.5	39.6	0	0	0	0	115.1	T4	T2-T4 PolarHBondContact O-N 3.06Å
3	S	49.1	Very low	46.1	Very low	71 Å²	71	120.3 Å²	120.3	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-71.1	-29.9	-176.7	69.9	0	0	0	0	114.1	I5 E7	S3-I5 PolarHBondContact O-N 2.98Å; S3-E7 WeakPolarHBondContact O-CB 3.24Å; S3-E7 WeakPolarHBondContact O-CG 3.44Å; S3-E7 PolarHBondContact O-N 3Å
4	T	53.6	Low	46.2	Very low	75 Å²	75	122.4 Å²	122.4	46%	0.46	61%	0.612	S	S	.	*	H	α-helix	trans	-72.2	-28.1	-173.9	44.8	0	0	0	0	113.5	M1 T2 K8	M1-T4 PolarHBondContact O-OG1 3.15Å; T2-T4 PolarHBondContact O-N 3.06Å; T4-K8 WeakPolarHBondContact O-CB 3.49Å; T4-K8 VanDerWaalsContact O-CG 3.32Å; T4-K8 WeakPolarHBondContact O-CG 3.42Å; T4-K8 PolarHBondContact O-N 3.21Å
5	I	45	Very low	46.8	Very low	110 Å²	110	125.7 Å²	125.7	56%	0.564	62%	0.621	S	S	*	*	H	α-helix	trans	-76.9	-46.5	177.1	-66.2	172.9	0	0	0	110.3	S3 E7 K8 I9	S3-I5 PolarHBondContact O-N 2.98Å; I5-E7 VanDerWaalsContact C-N 3.32Å; I5-E7 PolarHBondContact O-N 3.05Å; I5-K8 PolarHBondContact O-N 3.41Å; I5-I9 HydrophobicContact CG2-CD1 3.79Å; I5-I9 HydrophobicContact CG2-CG1 4.44Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 2.89Å
6	Q	40.3	Very low	46.6	Very low	141 Å²	141	123.5 Å²	123.5	66%	0.659	61%	0.613	S	S	*	*	H	α-helix	trans	-60	-42.8	175.9	-85.6	-174.1	-32	0	0	111.7	K8 I9 M10	Q6-K8 PolarHBondContact O-N 3.09Å; Q6-I9 PolarHBondContact O-N 3.32Å; Q6-M10 WeakPolarHBondContact O-CB 3.26Å; Q6-M10 VanDerWaalsContact O-CG 3.31Å; Q6-M10 WeakPolarHBondContact O-CG 3.44Å; Q6-M10 PolarHBondContact O-N 3.45Å
7	E	49.6	Very low	46.2	Very low	131 Å²	131	123.8 Å²	123.8	61%	0.612	61%	0.605	S	S	*	*	H	α-helix	trans	-61.4	-44.3	175.3	-80.7	-175.4	162.7	0	0	112.3	S3 I5 I9 M10 K11	S3-E7 WeakPolarHBondContact O-CB 3.24Å; S3-E7 WeakPolarHBondContact O-CG 3.44Å; S3-E7 PolarHBondContact O-N 3Å; I5-E7 VanDerWaalsContact C-N 3.32Å; I5-E7 PolarHBondContact O-N 3.05Å; E7-I9 PolarHBondContact O-N 3.05Å; E7-M10 PolarHBondContact O-N 3.38Å; E7-K11 WeakPolarHBondContact O-CB 3.34Å; E7-K11 PolarHBondContact O-N 3.31Å
8	K	48.9	Very low	45.9	Very low	160 Å²	160	122.1 Å²	122.1	70%	0.696	60%	0.596	S	S	*	*	H	α-helix	trans	-61.6	-43.1	177.2	-81.5	179.7	178.9	-178.5	0	112	T4 I5 Q6 K11 A12	T4-K8 WeakPolarHBondContact O-CB 3.49Å; T4-K8 VanDerWaalsContact O-CG 3.32Å; T4-K8 WeakPolarHBondContact O-CG 3.42Å; T4-K8 PolarHBondContact O-N 3.21Å; I5-K8 PolarHBondContact O-N 3.41Å; Q6-K8 PolarHBondContact O-N 3.09Å; K8-K11 PolarHBondContact O-N 3Å; K8-A12 WeakPolarHBondContact O-CB 3.46Å; K8-A12 PolarHBondContact O-N 2.91Å
9	I	43.1	Very low	45.7	Very low	104 Å²	104	119.9 Å²	119.9	53%	0.533	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-45.6	176.7	-67.3	168.6	0	0	0	110.2	I5 Q6 E7 K11 A12 W13	I5-I9 HydrophobicContact CG2-CD1 3.79Å; I5-I9 HydrophobicContact CG2-CG1 4.44Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 2.89Å; Q6-I9 PolarHBondContact O-N 3.32Å; E7-I9 PolarHBondContact O-N 3.05Å; I9-K11 PolarHBondContact O-N 3.47Å; I9-A12 PolarHBondContact O-N 3.34Å; I9-W13 WeakPolarHBondContact O-CB 3.46Å; I9-W13 PolarHBondContact O-N 2.87Å
10	M	40.2	Very low	44.9	Very low	97 Å²	97	119.8 Å²	119.8	48%	0.478	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-34.6	179.1	-71.9	-59	-68.8	0	0	112.7	Q6 E7 W13 K14	Q6-M10 WeakPolarHBondContact O-CB 3.26Å; Q6-M10 VanDerWaalsContact O-CG 3.31Å; Q6-M10 WeakPolarHBondContact O-CG 3.44Å; Q6-M10 PolarHBondContact O-N 3.45Å; E7-M10 PolarHBondContact O-N 3.38Å; M10-W13 HydrophobicContact CE-CE3 4.36Å; M10-K14 WeakPolarHBondContact O-CB 3.46Å; M10-K14 WeakPolarHBondContact O-CG 3.24Å; M10-K14 PolarHBondContact O-N 3.26Å
11	K	52.8	Low	44.3	Very low	167 Å²	167	119.3 Å²	119.3	73%	0.726	58%	0.578	S	S	*	*	H	α-helix	trans	-67.9	-44.8	174.4	-128.2	173.5	-177.5	174	0	111.3	E7 K8 I9 W13 K14 K15	E7-K11 WeakPolarHBondContact O-CB 3.34Å; E7-K11 PolarHBondContact O-N 3.31Å; K8-K11 PolarHBondContact O-N 3Å; I9-K11 PolarHBondContact O-N 3.47Å; K11-W13 VanDerWaalsContact C-N 3.32Å; K11-W13 PolarHBondContact O-N 3.25Å; K11-K14 PolarHBondContact O-N 3.3Å; K11-K15 WeakPolarHBondContact O-CB 3.16Å; K11-K15 PolarHBondContact O-N 2.85Å
12	A	50.9	Low	43.8	Very low	52 Å²	52	118.6 Å²	118.6	43%	0.43	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-41.2	175.3	0	0	0	0	0	111.4	K8 I9 K15 N16	K8-A12 WeakPolarHBondContact O-CB 3.46Å; K8-A12 PolarHBondContact O-N 2.91Å; I9-A12 PolarHBondContact O-N 3.34Å; A12-K15 PolarHBondContact O-N 3.05Å; A12-N16 PolarHBondContact O-N 2.79Å; A12-N16 VanDerWaalsContact O-N 3.15Å
13	W	38.9	Very low	43.4	Very low	113 Å²	113	116.9 Å²	116.9	43%	0.428	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-49.2	176.8	-177.3	83.6	0	0	0	112.5	I9 M10 K11 K15 N16 R17	I9-W13 WeakPolarHBondContact O-CB 3.46Å; I9-W13 PolarHBondContact O-N 2.87Å; M10-W13 HydrophobicContact CE-CE3 4.36Å; K11-W13 VanDerWaalsContact C-N 3.32Å; K11-W13 PolarHBondContact O-N 3.25Å; W13-K15 VanDerWaalsContact C-N 3.3Å; W13-K15 PolarHBondContact O-N 3.49Å; W13-N16 PolarHBondContact O-N 3.14Å; W13-R17 PolarHBondContact O-N 2.95Å
14	K	47.6	Very low	42.4	Very low	149 Å²	149	116.3 Å²	116.3	65%	0.648	54%	0.542	S	S	*	.	H	α-helix	trans	-59.7	-40.4	176.9	-78.8	-175.9	179.9	-180	0	111.8	M10 K11 N16 R17	M10-K14 WeakPolarHBondContact O-CB 3.46Å; M10-K14 WeakPolarHBondContact O-CG 3.24Å; M10-K14 PolarHBondContact O-N 3.26Å; K11-K14 PolarHBondContact O-N 3.3Å; K14-N16 VanDerWaalsContact C-N 3.33Å; K14-N16 PolarHBondContact O-N 3.17Å; K14-R17 PolarHBondContact O-N 3.46Å
15	K	55.2	Low	41.2	Very low	172 Å²	172	119 Å²	119	75%	0.748	56%	0.558	S	S	*	*	H	α-helix	trans	-64.6	-35.9	179.7	-168.8	177.4	-179.7	-177.1	0	112.6	K11 A12 W13	K11-K15 WeakPolarHBondContact O-CB 3.16Å; K11-K15 PolarHBondContact O-N 2.85Å; A12-K15 PolarHBondContact O-N 3.05Å; W13-K15 VanDerWaalsContact C-N 3.3Å; W13-K15 PolarHBondContact O-N 3.49Å
16	N	44.3	Very low	40.7	Very low	91 Å²	91	116.5 Å²	116.5	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-90.6	-4.1	-177.5	-72.3	-15.3	0	0	0	114.4	A12 W13 K14 E18 T19 W20	A12-N16 PolarHBondContact O-N 2.79Å; A12-N16 VanDerWaalsContact O-N 3.15Å; W13-N16 PolarHBondContact O-N 3.14Å; K14-N16 VanDerWaalsContact C-N 3.33Å; K14-N16 PolarHBondContact O-N 3.17Å; N16-E18 PolarHBondContact O-N 3.4Å; N16-T19 PolarHBondContact O-N 3.37Å; N16-T19 PolarHBondContact O-OG1 3.13Å; N16-W20 WeakPolarHBondContact O-CB 3.32Å; N16-W20 PolarHBondContact O-N 3.33Å
17	R	38.5	Very low	40.6	Very low	129 Å²	129	115.8 Å²	115.8	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-59.9	-41.9	-176.3	-175.5	177.8	180	-120.8	8	113	W13 K14 W20 K21	W13-R17 PolarHBondContact O-N 2.95Å; K14-R17 PolarHBondContact O-N 3.46Å; R17-W20 WeakPolarHBondContact O-CB 3.32Å; R17-W20 PolarHBondContact O-N 3.35Å; R17-K21 PolarHBondContact O-N 2.72Å
18	E	41.6	Very low	40.7	Very low	92 Å²	92	110.8 Å²	110.8	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-78	-33.1	-179.3	-66.5	-58.2	136.3	0	0	112.1	N16 W20 K21 R22	N16-E18 PolarHBondContact O-N 3.4Å; E18-W20 PolarHBondContact O-N 3.35Å; E18-K21 PolarHBondContact O-N 3.39Å; E18-K21 IonicContact OE1-NZ 3.26Å; E18-K21 PolarHBondContact OE1-NZ 3.07Å; E18-K21 IonicContact OE2-NZ 3.66Å; E18-R22 PolarHBondContact O-N 3.23Å
19	T	41.4	Very low	41.1	Very low	82 Å²	82	104 Å²	104	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-35.8	169.8	-15	0	0	0	0	111.2	N16 T23	N16-T19 PolarHBondContact O-N 3.37Å; N16-T19 PolarHBondContact O-OG1 3.13Å; T19-T23 PolarHBondContact O-N 3.21Å; T19-T23 PolarHBondContact O-OG1 3.04Å
20	W	30.9	Very low	42.2	Very low	116 Å²	116	102.9 Å²	102.9	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-65.1	-50.6	171.1	-116.7	71.5	0	0	0	111.9	N16 R17 E18 R22 T23 H24 Q176	N16-W20 WeakPolarHBondContact O-CB 3.32Å; N16-W20 PolarHBondContact O-N 3.33Å; R17-W20 WeakPolarHBondContact O-CB 3.32Å; R17-W20 PolarHBondContact O-N 3.35Å; E18-W20 PolarHBondContact O-N 3.35Å; W20-R22 VanDerWaalsContact C-N 3.28Å; W20-R22 PolarHBondContact O-N 3.24Å; W20-T23 PolarHBondContact O-N 3.47Å; W20-T23 PolarHBondContact O-OG1 3.44Å; W20-T23 VanDerWaalsContact O-OG1 3.07Å; W20-H24 AromaticContact CD2-CE1 3.66Å; W20-H24 AromaticContact CE2-CE1 4Å; W20-H24 AromaticContact CE3-CE1 3.52Å; W20-H24 AromaticContact CE3-ND1 3.94Å; W20-H24 AromaticContact CZ3-CE1 3.79Å; W20-H24 AromaticContact CZ3-NE2 3.84Å; W20-H24 PolarHBondContact O-ND1 3.44Å; W20-Q176 HydrophobicContact CH2-CB 4.43Å
21	K	31.5	Very low	43.8	Very low	110 Å²	110	100.1 Å²	100.1	48%	0.478	48%	0.48	S	S	.	.	H	α-helix	trans	-58.9	-38.2	178.5	-73.4	179.9	-175.6	167.7	0	113.2	R17 E18	R17-K21 PolarHBondContact O-N 2.72Å; E18-K21 PolarHBondContact O-N 3.39Å; E18-K21 IonicContact OE1-NZ 3.26Å; E18-K21 PolarHBondContact OE1-NZ 3.07Å; E18-K21 IonicContact OE2-NZ 3.66Å
22	R	32.9	Very low	45.1	Very low	206 Å²	206	92.2 Å²	92.2	78%	0.777	45%	0.446	S	S	*	.	H	α-helix	trans	-76.6	-21.2	-179.2	-72.3	-175.8	-175.5	-170.4	0.6	114.6	E18 W20	E18-R22 PolarHBondContact O-N 3.23Å; W20-R22 VanDerWaalsContact C-N 3.28Å; W20-R22 PolarHBondContact O-N 3.24Å
23	T	34.6	Very low	46.6	Very low	86 Å²	86	93.2 Å²	93.2	53%	0.528	44%	0.442	S	S	.	.	H	α-helix	trans	-87.1	-8.7	178.5	37.1	0	0	0	0	113.5	T19 W20	T19-T23 PolarHBondContact O-N 3.21Å; T19-T23 PolarHBondContact O-OG1 3.04Å; W20-T23 PolarHBondContact O-N 3.47Å; W20-T23 PolarHBondContact O-OG1 3.44Å; W20-T23 VanDerWaalsContact O-OG1 3.07Å
24	H	29.4	Very low	48.8	Very low	59 Å²	59	92.5 Å²	92.5	27%	0.273	44%	0.443	S	S	.	.			trans	-107.5	38.4	-175.3	-65.2	76.2	0	0	0	113.8	W20 F26 Q176	W20-H24 AromaticContact CD2-CE1 3.66Å; W20-H24 AromaticContact CE2-CE1 4Å; W20-H24 AromaticContact CE3-CE1 3.52Å; W20-H24 AromaticContact CE3-ND1 3.94Å; W20-H24 AromaticContact CZ3-CE1 3.79Å; W20-H24 AromaticContact CZ3-NE2 3.84Å; W20-H24 PolarHBondContact O-ND1 3.44Å; H24-F26 HydrophobicContact CB-CD2 3.93Å; H24-F26 HydrophobicContact CB-CE2 4.17Å; H24-F26 AromaticContact CD2-CD2 3.77Å; H24-F26 AromaticContact CD2-CE2 3.45Å; H24-F26 VanDerWaalsContact CD2-CE2 3.45Å; H24-F26 WeakPolarHBondContact CD2-CE2 3.4Å; H24-F26 AromaticContact CG-CE2 3.88Å; H24-F26 PolarHBondContact O-N 3.16Å; H24-Q176 PolarHBondContact NE2-OE1 3.32Å
25	T	27.7	Very low	50.8	Low	131 Å²	131	85.4 Å²	85.4	80%	0.804	41%	0.412	S	S	*	.			trans	-76.1	70.3	158.4	49.6	0	0	0	0	108.4
26	F	33.9	Very low	52.5	Low	58 Å²	58	79.3 Å²	79.3	25%	0.254	38%	0.384	S	S	.	.			trans	-92.3	125.5	178.2	-76.7	-78.9	0	0	0	109.8	H24 S28 T273 E276	H24-F26 HydrophobicContact CB-CD2 3.93Å; H24-F26 HydrophobicContact CB-CE2 4.17Å; H24-F26 AromaticContact CD2-CD2 3.77Å; H24-F26 AromaticContact CD2-CE2 3.45Å; H24-F26 VanDerWaalsContact CD2-CE2 3.45Å; H24-F26 WeakPolarHBondContact CD2-CE2 3.4Å; H24-F26 AromaticContact CG-CE2 3.88Å; H24-F26 PolarHBondContact O-N 3.16Å; F26-S28 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 3.42Å; F26-T273 WeakPolarHBondContact CE1-O 3.46Å; F26-T273 HydrophobicContact CZ-CG2 3.92Å; F26-E276 VanDerWaalsContact CB-CD 3.45Å; F26-E276 WeakPolarHBondContact CB-OE1 3.45Å; F26-E276 WeakPolarHBondContact CB-OE2 3.29Å
27	K	38.9	Very low	54.6	Low	127 Å²	127	79.5 Å²	79.5	55%	0.552	38%	0.382	S	S	*	.			trans	-58.8	94.7	167.2	-77.3	-175.2	167.3	-165.4	0	107.6	E311	K27-E311 IonicContact NZ-OE1 2.72Å; K27-E311 PolarHBondContact NZ-OE1 2.92Å
28	S	51	Low	57.1	Low	25 Å²	25	75.2 Å²	75.2	18%	0.175	37%	0.369	C	S	.	.			trans	-103.2	141.8	-176.2	49	0	0	0	0	110.1	F26 E276	F26-S28 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 3.42Å; S28-E276 WeakPolarHBondContact CA-OE2 2.92Å; S28-E276 VanDerWaalsContact CB-OE2 3.24Å; S28-E276 WeakPolarHBondContact CB-OE2 3.43Å
29	G	58.5	Low	59.6	Low	18 Å²	18	71.3 Å²	71.3	19%	0.186	35%	0.351	C	S	.	.			trans	-66.3	153.6	167.9	0	0	0	0	0	110.5	L31 A32 E33	G29-L31 PolarHBondContact O-N 3.12Å; G29-A32 PolarHBondContact O-N 3.18Å; G29-E33 PolarHBondContact O-N 2.86Å
30	P	66	Low	62	Low	80 Å²	80	71.6 Å²	71.6	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-54.4	-31.3	-173.5	19.3	-33.7	0	0	0	113.5	Q34	P30-Q34 VanDerWaalsContact O-CB 3.3Å; P30-Q34 WeakPolarHBondContact O-CB 3.43Å; P30-Q34 PolarHBondContact O-N 2.84Å
31	L	72.8	Confident	64.9	Low	39 Å²	39	72.2 Å²	72.2	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-69.4	-40.4	178.4	-168.6	71.9	0	0	0	113.1	G29 E33 Q34 I35 R103 W171	G29-L31 PolarHBondContact O-N 3.12Å; L31-E33 VanDerWaalsContact C-N 3.35Å; L31-Q34 PolarHBondContact O-N 3.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.45Å; L31-I35 VanDerWaalsContact O-N 3.09Å; L31-R103 HydrophobicContact CD1-CB 4.06Å; L31-R103 HydrophobicContact CD1-CG 4.49Å; L31-R103 VanDerWaalsContact CD1-O 3.22Å; L31-R103 WeakPolarHBondContact CD1-O 3.28Å; L31-R103 HydrophobicContact CD2-CG 4.27Å; L31-W171 HydrophobicContact CB-CH2 4.32Å; L31-W171 HydrophobicContact CD2-CH2 3.58Å; L31-W171 HydrophobicContact CD2-CZ2 4.45Å; L31-W171 HydrophobicContact CD2-CZ3 4.03Å; L31-W171 HydrophobicContact CG-CH2 3.72Å; L31-W171 HydrophobicContact CG-CZ3 4.43Å
32	A	81.6	Confident	67.7	Low	1 Å²	1	68.9 Å²	68.9	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-65.2	-43.4	178.8	0	0	0	0	0	110.7	G29 I35 R36 W171 L175	G29-A32 PolarHBondContact O-N 3.18Å; A32-I35 PolarHBondContact O-N 3.29Å; A32-R36 WeakPolarHBondContact O-CG 3.14Å; A32-R36 PolarHBondContact O-N 2.91Å; A32-W171 HydrophobicContact CB-CZ2 3.95Å; A32-L175 HydrophobicContact CB-CD1 4.36Å; A32-L175 HydrophobicContact CB-CD2 3.69Å
33	E	82.4	Confident	70.4	Confident	74 Å²	74	61 Å²	61	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-43.8	177.7	-174.3	56.4	-157.4	0	0	111.3	G29 L31 I35 R36 Q37	G29-E33 PolarHBondContact O-N 2.86Å; L31-E33 VanDerWaalsContact C-N 3.35Å; E33-I35 VanDerWaalsContact C-N 3.33Å; E33-I35 PolarHBondContact O-N 3.18Å; E33-R36 PolarHBondContact O-N 3.01Å; E33-Q37 HydrophobicContact CG-CG 4.44Å; E33-Q37 WeakPolarHBondContact O-CB 3.47Å; E33-Q37 VanDerWaalsContact O-CG 3.28Å; E33-Q37 WeakPolarHBondContact O-CG 3.32Å; E33-Q37 PolarHBondContact O-N 3.32Å; E33-Q37 PolarHBondContact OE1-NE2 3.06Å
34	Q	85.2	Confident	73	Confident	97 Å²	97	65 Å²	65	45%	0.453	33%	0.332	S	S	.	.	H	α-helix	trans	-56.1	-45.8	174.7	-179	-179.7	1.3	0	0	112.3	P30 L31 Q37 D38	P30-Q34 VanDerWaalsContact O-CB 3.3Å; P30-Q34 WeakPolarHBondContact O-CB 3.43Å; P30-Q34 PolarHBondContact O-N 2.84Å; L31-Q34 PolarHBondContact O-N 3.38Å; Q34-Q37 PolarHBondContact O-N 3.05Å; Q34-D38 WeakPolarHBondContact O-CB 3.37Å; Q34-D38 PolarHBondContact O-N 3.27Å
35	I	88.9	Confident	75.9	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67	-39.2	179.9	-70.1	176.4	0	0	0	111.5	L31 A32 E33 Y39 C102 W171 M172 L175 L177	L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.45Å; L31-I35 VanDerWaalsContact O-N 3.09Å; A32-I35 PolarHBondContact O-N 3.29Å; E33-I35 VanDerWaalsContact C-N 3.33Å; E33-I35 PolarHBondContact O-N 3.18Å; I35-Y39 WeakPolarHBondContact O-CB 3.49Å; I35-Y39 PolarHBondContact O-N 2.86Å; I35-C102 WeakPolarHBondContact CD1-O 2.88Å; I35-W171 HydrophobicContact CD1-CE3 4.31Å; I35-W171 HydrophobicContact CD1-CH2 3.44Å; I35-W171 VanDerWaalsContact CD1-CH2 3.44Å; I35-W171 HydrophobicContact CD1-CZ3 3.26Å; I35-M172 HydrophobicContact CD1-CE 4.27Å; I35-L175 HydrophobicContact CB-CD1 4.5Å; I35-L175 HydrophobicContact CG2-CD1 4.29Å; I35-L177 HydrophobicContact CG2-CD1 4.32Å
36	R	90.4	Very high	78.8	Confident	44 Å²	44	64.5 Å²	64.5	17%	0.166	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-43.1	175.8	-75.2	176.8	175.3	150.6	-1.1	111.5	A32 E33 Y39 D40 L175 L177 E276	A32-R36 WeakPolarHBondContact O-CG 3.14Å; A32-R36 PolarHBondContact O-N 2.91Å; E33-R36 PolarHBondContact O-N 3.01Å; R36-Y39 WeakPolarHBondContact O-CB 3.38Å; R36-Y39 PolarHBondContact O-N 3.07Å; R36-D40 WeakPolarHBondContact O-CB 3.15Å; R36-D40 PolarHBondContact O-N 3.33Å; R36-L175 PolarHBondContact NE-O 2.9Å; R36-L175 PolarHBondContact NH2-O 2.93Å; R36-L177 HydrophobicContact CG-CD2 4.29Å; R36-E276 IonicContact CZ-OE1 3.44Å; R36-E276 VanDerWaalsContact CZ-OE1 3.3Å; R36-E276 IonicContact NH1-OE1 2.97Å; R36-E276 PolarHBondContact NH1-OE1 2.91Å; R36-E276 IonicContact NH1-OE2 3.08Å; R36-E276 IonicContact NH2-OE1 3.86Å; R36-E276 PolarHBondContact NH2-OE1 2.8Å
37	Q	89.6	Confident	81.2	Confident	95 Å²	95	69 Å²	69	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-51	176.8	-72.2	175.3	1.4	0	0	111.6	E33 Q34 Y39 D40 E41	E33-Q37 HydrophobicContact CG-CG 4.44Å; E33-Q37 WeakPolarHBondContact O-CB 3.47Å; E33-Q37 VanDerWaalsContact O-CG 3.28Å; E33-Q37 WeakPolarHBondContact O-CG 3.32Å; E33-Q37 PolarHBondContact O-N 3.32Å; E33-Q37 PolarHBondContact OE1-NE2 3.06Å; Q34-Q37 PolarHBondContact O-N 3.05Å; Q37-Y39 VanDerWaalsContact C-N 3.25Å; Q37-Y39 PolarHBondContact O-N 3.38Å; Q37-D40 PolarHBondContact O-N 2.95Å; Q37-D40 VanDerWaalsContact O-N 3.15Å; Q37-E41 WeakPolarHBondContact O-CB 3.45Å; Q37-E41 WeakPolarHBondContact O-CG 3.31Å; Q37-E41 PolarHBondContact O-N 3.22Å
38	D	90.9	Very high	83.1	Confident	40 Å²	40	69.3 Å²	69.3	21%	0.214	35%	0.35	C	S	.	.	H	α-helix	trans	-58.3	-40.4	176.2	177.1	91.9	0	0	0	111.5	Q34 T42 S105	Q34-D38 WeakPolarHBondContact O-CB 3.37Å; Q34-D38 PolarHBondContact O-N 3.27Å; D38-T42 WeakPolarHBondContact O-CB 3.13Å; D38-T42 PolarHBondContact O-N 2.77Å; D38-T42 PolarHBondContact O-OG1 2.69Å; D38-S105 WeakPolarHBondContact OD2-CB 3.31Å; D38-S105 PolarHBondContact OD2-OG 2.87Å
39	Y	93.9	Very high	84.3	Confident	10 Å²	10	71.9 Å²	71.9	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-48.8	175.7	-179.3	-80.1	0	0	0	111.8	I35 R36 Q37 S43 F106 F107 L177 P178 L179	I35-Y39 WeakPolarHBondContact O-CB 3.49Å; I35-Y39 PolarHBondContact O-N 2.86Å; R36-Y39 WeakPolarHBondContact O-CB 3.38Å; R36-Y39 PolarHBondContact O-N 3.07Å; Q37-Y39 VanDerWaalsContact C-N 3.25Å; Q37-Y39 PolarHBondContact O-N 3.38Å; Y39-S43 VanDerWaalsContact CE1-OG 3.28Å; Y39-S43 WeakPolarHBondContact CE1-OG 3.35Å; Y39-S43 WeakPolarHBondContact O-CB 3.28Å; Y39-S43 PolarHBondContact O-N 3.37Å; Y39-S43 PolarHBondContact O-OG 3.35Å; Y39-F106 HydrophobicContact CD2-CB 4.12Å; Y39-F106 AromaticContact CD2-CD1 3.8Å; Y39-F106 HydrophobicContact CD2-CD1 3.8Å; Y39-F106 HydrophobicContact CD2-CG 4.12Å; Y39-F106 AromaticContact CE2-CD1 3.8Å; Y39-F106 HydrophobicContact CE2-CD1 3.8Å; Y39-F106 HydrophobicContact CE2-CE1 4.15Å; Y39-F106 HydrophobicContact CE2-CG 4.4Å; Y39-F107 AromaticContact CD2-CE2 3.82Å; Y39-F107 HydrophobicContact CD2-CE2 3.82Å; Y39-F107 AromaticContact CD2-CZ 3.77Å; Y39-F107 HydrophobicContact CD2-CZ 3.77Å; Y39-F107 HydrophobicContact CE2-CE1 4.42Å; Y39-F107 HydrophobicContact CE2-CE2 4.26Å; Y39-F107 AromaticContact CE2-CZ 3.73Å; Y39-F107 HydrophobicContact CE2-CZ 3.73Å; Y39-F107 HydrophobicContact CG-CE2 4.28Å; Y39-F107 HydrophobicContact CG-CZ 4.48Å; Y39-L177 HydrophobicContact CD1-CD2 4.46Å; Y39-L177 HydrophobicContact CD2-CB 4.23Å; Y39-L177 HydrophobicContact CD2-CD1 3.97Å; Y39-L177 HydrophobicContact CD2-CD2 4.14Å; Y39-L177 HydrophobicContact CD2-CG 4.35Å; Y39-L177 HydrophobicContact CE2-CB 4.02Å; Y39-L177 HydrophobicContact CE2-CD1 4.44Å; Y39-L177 HydrophobicContact CG-CD2 4Å; Y39-P178 HydrophobicContact CE1-CB 4.37Å; Y39-P178 VanDerWaalsContact CE1-CD 3.5Å; Y39-P178 HydrophobicContact CE1-CG 3.91Å; Y39-L179 HydrophobicContact CE2-CB 4.27Å; Y39-L179 HydrophobicContact CE2-CD1 3.93Å; Y39-L179 HydrophobicContact CE2-CG 4.31Å; Y39-L179 WeakPolarHBondContact OH-CB 3.16Å; Y39-L179 WeakPolarHBondContact OH-CG 3.35Å; Y39-L179 PolarHBondContact OH-N 3.41Å
40	D	91.3	Very high	85.4	Confident	88 Å²	88	73.4 Å²	73.4	47%	0.471	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-40.4	-177.3	-80.6	-14.1	0	0	0	112.2	R36 Q37 K44	R36-D40 WeakPolarHBondContact O-CB 3.15Å; R36-D40 PolarHBondContact O-N 3.33Å; Q37-D40 PolarHBondContact O-N 2.95Å; Q37-D40 VanDerWaalsContact O-N 3.15Å; D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.38Å; D40-K44 PolarHBondContact O-N 3.06Å
41	E	92.4	Very high	86	Confident	128 Å²	128	71.8 Å²	71.8	60%	0.598	36%	0.362	S	S	*	.	H	α-helix	trans	-64.8	-50.6	175.7	-72.6	-178.1	176.4	0	0	111.4	Q37 S43 K44	Q37-E41 WeakPolarHBondContact O-CB 3.45Å; Q37-E41 WeakPolarHBondContact O-CG 3.31Å; Q37-E41 PolarHBondContact O-N 3.22Å; E41-S43 VanDerWaalsContact C-N 3.29Å; E41-S43 PolarHBondContact O-N 3.1Å; E41-K44 PolarHBondContact O-N 2.71Å
42	T	90.6	Very high	86.1	Confident	40 Å²	40	76.5 Å²	76.5	25%	0.245	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-40.5	179	-57.7	0	0	0	0	110.7	D38 K44 I45 M46 F107	D38-T42 WeakPolarHBondContact O-CB 3.13Å; D38-T42 PolarHBondContact O-N 2.77Å; D38-T42 PolarHBondContact O-OG1 2.69Å; T42-K44 VanDerWaalsContact C-N 3.29Å; T42-K44 PolarHBondContact O-N 2.86Å; T42-I45 VanDerWaalsContact O-CG1 3.24Å; T42-I45 WeakPolarHBondContact O-CG1 3.35Å; T42-I45 PolarHBondContact O-N 3.38Å; T42-M46 HydrophobicContact CG2-CG 4.3Å; T42-M46 WeakPolarHBondContact O-CG 3.43Å; T42-M46 PolarHBondContact O-N 2.96Å; T42-F107 HydrophobicContact CG2-CD2 3.49Å; T42-F107 VanDerWaalsContact CG2-CD2 3.49Å; T42-F107 HydrophobicContact CG2-CE2 3.6Å; T42-F107 HydrophobicContact CG2-CG 4.21Å; T42-F107 HydrophobicContact CG2-CZ 4.39Å
43	S	88.4	Confident	85.9	Confident	41 Å²	41	81.9 Å²	81.9	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-64.3	-29.5	-179.2	-64.4	0	0	0	0	114.2	Y39 E41 I45 M46	Y39-S43 VanDerWaalsContact CE1-OG 3.28Å; Y39-S43 WeakPolarHBondContact CE1-OG 3.35Å; Y39-S43 WeakPolarHBondContact O-CB 3.28Å; Y39-S43 PolarHBondContact O-N 3.37Å; Y39-S43 PolarHBondContact O-OG 3.35Å; E41-S43 VanDerWaalsContact C-N 3.29Å; E41-S43 PolarHBondContact O-N 3.1Å; S43-I45 VanDerWaalsContact C-N 3.3Å; S43-I45 PolarHBondContact O-N 3.19Å; S43-M46 WeakPolarHBondContact OG-CE 3.39Å
44	K	89.3	Confident	85.9	Confident	170 Å²	170	79.1 Å²	79.1	74%	0.739	39%	0.394	S	S	*	.	H	α-helix	trans	-67.2	-30.1	177.3	-73.9	165.2	-171.8	169.7	0	113.1	D40 E41 T42	D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.38Å; D40-K44 PolarHBondContact O-N 3.06Å; E41-K44 PolarHBondContact O-N 2.71Å; T42-K44 VanDerWaalsContact C-N 3.29Å; T42-K44 PolarHBondContact O-N 2.86Å
45	I	90.5	Very high	85.6	Confident	142 Å²	142	76.2 Å²	76.2	73%	0.728	38%	0.381	S	S	*	.	H	α-helix	trans	-102.5	-2.6	-174.2	62.4	170	0	0	0	113.4	T42 S43	T42-I45 VanDerWaalsContact O-CG1 3.24Å; T42-I45 WeakPolarHBondContact O-CG1 3.35Å; T42-I45 PolarHBondContact O-N 3.38Å; S43-I45 VanDerWaalsContact C-N 3.3Å; S43-I45 PolarHBondContact O-N 3.19Å
46	M	87.6	Confident	84.9	Confident	37 Å²	37	76.9 Å²	76.9	18%	0.182	39%	0.386	C	S	.	.			trans	-72.2	134.7	-178.6	-82.8	-164.5	-72.1	0	0	112.9	T42 S43 T50 V51 I54 F107 L179	T42-M46 HydrophobicContact CG2-CG 4.3Å; T42-M46 WeakPolarHBondContact O-CG 3.43Å; T42-M46 PolarHBondContact O-N 2.96Å; S43-M46 WeakPolarHBondContact OG-CE 3.39Å; M46-T50 HydrophobicContact CG-CG2 4.37Å; M46-T50 HydrophobicContact SD-CG2 4.27Å; M46-V51 HydrophobicContact CB-CG2 3.9Å; M46-V51 HydrophobicContact CE-CG2 4.26Å; M46-V51 HydrophobicContact SD-CG2 4.22Å; M46-I54 HydrophobicContact SD-CD1 3.32Å; M46-I54 WeakPolarHBondContact SD-CD1 3.46Å; M46-F107 HydrophobicContact CE-CE1 3.54Å; M46-F107 HydrophobicContact CE-CE2 4.14Å; M46-F107 HydrophobicContact CE-CZ 3.26Å; M46-F107 HydrophobicContact SD-CD1 4.48Å; M46-F107 HydrophobicContact SD-CE1 3.87Å; M46-F107 HydrophobicContact SD-CZ 4.07Å; M46-L179 HydrophobicContact CE-CD1 4.44Å
47	K	86.2	Confident	84.5	Confident	154 Å²	154	76.1 Å²	76.1	67%	0.67	39%	0.385	S	S	*	.			trans	-74	151.3	168.7	-62.7	-178.6	-178	179.6	0	110.4	S49 T50 V51	K47-S49 PolarHBondContact O-N 3Å; K47-T50 WeakPolarHBondContact O-CA 3.5Å; K47-T50 WeakPolarHBondContact O-CB 3.47Å; K47-T50 PolarHBondContact O-N 2.93Å; K47-V51 PolarHBondContact O-N 3.06Å
48	I	78.1	Confident	84.2	Confident	132 Å²	132	71.6 Å²	71.6	68%	0.677	36%	0.364	S	S	*	.	H	α-helix	trans	-55.2	-38.8	177.5	-64.3	171.5	0	0	0	111.8	V51 K52	I48-V51 PolarHBondContact O-N 3.08Å; I48-K52 WeakPolarHBondContact O-CG 3.21Å; I48-K52 PolarHBondContact O-N 3.39Å
49	S	75.7	Confident	83.7	Confident	79 Å²	79	69.7 Å²	69.7	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-61.6	-43.2	176.3	51.7	0	0	0	0	112.2	K47 K52 Q53	K47-S49 PolarHBondContact O-N 3Å; S49-K52 PolarHBondContact O-N 3.18Å; S49-Q53 PolarHBondContact O-N 3.01Å
50	T	81.5	Confident	82.8	Confident	51 Å²	51	70.3 Å²	70.3	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-42.7	176.4	-50.1	0	0	0	0	111.4	M46 K47 K52 Q53 I54	M46-T50 HydrophobicContact CG-CG2 4.37Å; M46-T50 HydrophobicContact SD-CG2 4.27Å; K47-T50 WeakPolarHBondContact O-CA 3.5Å; K47-T50 WeakPolarHBondContact O-CB 3.47Å; K47-T50 PolarHBondContact O-N 2.93Å; T50-K52 PolarHBondContact O-N 3.25Å; T50-Q53 WeakPolarHBondContact O-CB 3.06Å; T50-Q53 PolarHBondContact O-N 3.45Å; T50-I54 HydrophobicContact CG2-CD1 3.85Å; T50-I54 WeakPolarHBondContact O-CG1 3.45Å; T50-I54 PolarHBondContact O-N 3.32Å
51	V	79	Confident	82.3	Confident	45 Å²	45	66.1 Å²	66.1	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-59	-47	175.9	174.7	0	0	0	0	111.1	M46 K47 I48 Q53 I54 I55 L179	M46-V51 HydrophobicContact CB-CG2 3.9Å; M46-V51 HydrophobicContact CE-CG2 4.26Å; M46-V51 HydrophobicContact SD-CG2 4.22Å; K47-V51 PolarHBondContact O-N 3.06Å; I48-V51 PolarHBondContact O-N 3.08Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 2.9Å; V51-I54 PolarHBondContact O-N 3.24Å; V51-I55 HydrophobicContact CG1-CD1 3.88Å; V51-I55 HydrophobicContact CG1-CG1 4.47Å; V51-I55 WeakPolarHBondContact O-CG1 3.33Å; V51-I55 PolarHBondContact O-N 3.21Å; V51-L179 HydrophobicContact CG1-CD2 4.22Å
52	K	74.6	Confident	81.8	Confident	139 Å²	139	60 Å²	60	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-44	176.5	-72.3	-179.9	178.2	-174.1	0	111.8	I48 S49 T50 I55 A56	I48-K52 WeakPolarHBondContact O-CG 3.21Å; I48-K52 PolarHBondContact O-N 3.39Å; S49-K52 PolarHBondContact O-N 3.18Å; T50-K52 PolarHBondContact O-N 3.25Å; K52-I55 PolarHBondContact O-N 3.41Å; K52-A56 PolarHBondContact O-N 3.44Å
53	Q	77.5	Confident	81	Confident	113 Å²	113	58.6 Å²	58.6	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-44.8	177.4	-175.5	179.4	6.8	0	0	111.7	S49 T50 V51 A56 Q57	S49-Q53 PolarHBondContact O-N 3.01Å; T50-Q53 WeakPolarHBondContact O-CB 3.06Å; T50-Q53 PolarHBondContact O-N 3.45Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 2.9Å; Q53-A56 WeakPolarHBondContact O-CB 3.26Å; Q53-A56 PolarHBondContact O-N 3.02Å; Q53-Q57 VanDerWaalsContact O-CG 3.31Å; Q53-Q57 WeakPolarHBondContact O-CG 3.15Å; Q53-Q57 PolarHBondContact O-N 3.01Å
54	I	82.7	Confident	80.4	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-39.7	179.7	-68.4	158.5	0	0	0	111.1	M46 T50 V51 A56 Q57 T58 F106 F107 L179	M46-I54 HydrophobicContact SD-CD1 3.32Å; M46-I54 WeakPolarHBondContact SD-CD1 3.46Å; T50-I54 HydrophobicContact CG2-CD1 3.85Å; T50-I54 WeakPolarHBondContact O-CG1 3.45Å; T50-I54 PolarHBondContact O-N 3.32Å; V51-I54 PolarHBondContact O-N 3.24Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 2.59Å; I54-Q57 PolarHBondContact O-N 2.94Å; I54-T58 VanDerWaalsContact O-CB 3.31Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 3.4Å; I54-T58 PolarHBondContact O-OG1 3.45Å; I54-F106 HydrophobicContact CG2-CE1 4.25Å; I54-F107 HydrophobicContact CD1-CD1 3.64Å; I54-F107 HydrophobicContact CD1-CE1 3.78Å; I54-F107 HydrophobicContact CG1-CD1 4.34Å; I54-F107 HydrophobicContact CG2-CD1 4.02Å; I54-F107 HydrophobicContact CG2-CE1 4.02Å; I54-L179 HydrophobicContact CG2-CD1 3.91Å
55	I	78.4	Confident	79.8	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.185	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-45	173.8	-70.5	170.3	0	0	0	110.3	V51 K52 T58 G59 L179 P184	V51-I55 HydrophobicContact CG1-CD1 3.88Å; V51-I55 HydrophobicContact CG1-CG1 4.47Å; V51-I55 WeakPolarHBondContact O-CG1 3.33Å; V51-I55 PolarHBondContact O-N 3.21Å; K52-I55 PolarHBondContact O-N 3.41Å; I55-T58 PolarHBondContact O-N 2.82Å; I55-G59 PolarHBondContact O-N 3.13Å; I55-L179 HydrophobicContact CD1-CD2 3.96Å; I55-L179 HydrophobicContact CG1-CD2 3.5Å; I55-P184 HydrophobicContact CG2-CG 3.77Å
56	A	74.4	Confident	79.2	Confident	14 Å²	14	43.1 Å²	43.1	12%	0.116	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-46.7	177	0	0	0	0	0	112	K52 Q53 I54 T58 G59 R60	K52-A56 PolarHBondContact O-N 3.44Å; Q53-A56 WeakPolarHBondContact O-CB 3.26Å; Q53-A56 PolarHBondContact O-N 3.02Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 2.59Å; A56-T58 PolarHBondContact O-N 2.92Å; A56-G59 PolarHBondContact O-N 3.3Å; A56-R60 WeakPolarHBondContact O-CG 3.32Å; A56-R60 PolarHBondContact O-N 3.49Å
57	Q	81.4	Confident	78.4	Confident	28 Å²	28	42 Å²	42	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-42.8	176.8	-70.3	177.2	-18.6	0	0	112.6	Q53 I54 G59 R60 T61 V110 N114	Q53-Q57 VanDerWaalsContact O-CG 3.31Å; Q53-Q57 WeakPolarHBondContact O-CG 3.15Å; Q53-Q57 PolarHBondContact O-N 3.01Å; I54-Q57 PolarHBondContact O-N 2.94Å; Q57-G59 VanDerWaalsContact C-N 3.31Å; Q57-G59 PolarHBondContact O-N 3.42Å; Q57-R60 PolarHBondContact O-N 3.49Å; Q57-T61 WeakPolarHBondContact O-CB 3.17Å; Q57-T61 PolarHBondContact O-N 3.21Å; Q57-T61 PolarHBondContact O-OG1 3.48Å; Q57-V110 HydrophobicContact CB-CG1 3.81Å; Q57-N114 HydrophobicContact CB-CB 4.2Å; Q57-N114 HydrophobicContact CG-CB 4.28Å
58	T	84.9	Confident	77.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-38.2	178.2	-50.6	0	0	0	0	110.6	I54 I55 A56 T61 A62 F106 M169 L180 L183 F236	I54-T58 VanDerWaalsContact O-CB 3.31Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 3.4Å; I54-T58 PolarHBondContact O-OG1 3.45Å; I55-T58 PolarHBondContact O-N 2.82Å; A56-T58 PolarHBondContact O-N 2.92Å; T58-T61 CarbonylContact O-C 3.6Å; T58-T61 WeakPolarHBondContact O-CB 3.47Å; T58-T61 PolarHBondContact O-N 3.43Å; T58-A62 PolarHBondContact O-N 3.48Å; T58-F106 HydrophobicContact CG2-CZ 4.18Å; T58-M169 HydrophobicContact CG2-CE 3.92Å; T58-L180 HydrophobicContact CG2-CD2 3.67Å; T58-L183 HydrophobicContact CG2-CD1 4.27Å; T58-L183 HydrophobicContact CG2-CD2 3.52Å; T58-F236 HydrophobicContact CG2-CZ 4.49Å
59	G	78.6	Confident	77.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.3	-41.9	174.6	0	0	0	0	0	113.9	I55 A56 Q57 T61 A62 F63 Y185	I55-G59 PolarHBondContact O-N 3.13Å; A56-G59 PolarHBondContact O-N 3.3Å; Q57-G59 VanDerWaalsContact C-N 3.31Å; Q57-G59 PolarHBondContact O-N 3.42Å; G59-T61 VanDerWaalsContact C-N 3.26Å; G59-T61 PolarHBondContact O-N 3.19Å; G59-A62 WeakPolarHBondContact O-CB 3.41Å; G59-A62 PolarHBondContact O-N 3.04Å; G59-F63 PolarHBondContact O-N 2.9Å; G59-Y185 VanDerWaalsContact C-CD2 3.47Å; G59-Y185 VanDerWaalsContact CA-CE2 3.49Å
60	R	75.3	Confident	77.3	Confident	23 Å²	23	33.6 Å²	33.6	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-41.6	169.6	-72	-167.3	-70.3	177	3.8	111.5	A56 Q57 F63 F64 N114 D118 G195	A56-R60 WeakPolarHBondContact O-CG 3.32Å; A56-R60 PolarHBondContact O-N 3.49Å; Q57-R60 PolarHBondContact O-N 3.49Å; R60-F63 PolarHBondContact O-N 2.94Å; R60-F64 PolarHBondContact O-N 3.13Å; R60-N114 PolarHBondContact NE-OD1 3.36Å; R60-N114 VanDerWaalsContact NH2-CG 3.27Å; R60-N114 PolarHBondContact NH2-ND2 3.4Å; R60-N114 PolarHBondContact NH2-OD1 2.94Å; R60-D118 IonicContact CZ-OD1 2.93Å; R60-D118 IonicContact NH1-OD1 3.21Å; R60-D118 PolarHBondContact NH1-OD1 2.87Å; R60-D118 IonicContact NH2-OD1 3.37Å; R60-D118 IonicContact NH2-OD2 3.61Å; R60-G195 WeakPolarHBondContact CD-O 3.5Å
61	T	81	Confident	76.5	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-44.3	174.6	-57	0	0	0	0	112	Q57 T58 G59 F63 F64 V65 I113 F117 M169 F236	Q57-T61 WeakPolarHBondContact O-CB 3.17Å; Q57-T61 PolarHBondContact O-N 3.21Å; Q57-T61 PolarHBondContact O-OG1 3.48Å; T58-T61 CarbonylContact O-C 3.6Å; T58-T61 WeakPolarHBondContact O-CB 3.47Å; T58-T61 PolarHBondContact O-N 3.43Å; G59-T61 VanDerWaalsContact C-N 3.26Å; G59-T61 PolarHBondContact O-N 3.19Å; T61-F63 VanDerWaalsContact C-N 3.35Å; T61-F63 PolarHBondContact O-N 3.14Å; T61-F64 PolarHBondContact O-N 2.8Å; T61-V65 HydrophobicContact CG2-CG2 4.47Å; T61-V65 WeakPolarHBondContact O-CG2 3.45Å; T61-V65 PolarHBondContact O-N 2.85Å; T61-I113 HydrophobicContact CG2-CB 4.29Å; T61-I113 HydrophobicContact CG2-CD1 4.17Å; T61-I113 HydrophobicContact CG2-CG2 3.43Å; T61-I113 VanDerWaalsContact CG2-CG2 3.43Å; T61-F117 HydrophobicContact CG2-CE2 4.34Å; T61-M169 HydrophobicContact CG2-CE 4.39Å; T61-M169 HydrophobicContact CG2-CG 4.21Å; T61-F236 HydrophobicContact CG2-CE1 3.94Å; T61-F236 HydrophobicContact CG2-CZ 4.42Å
62	A	81.5	Confident	76	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-46.1	175.3	0	0	0	0	0	112	T58 G59 V65 R66 F236	T58-A62 PolarHBondContact O-N 3.48Å; G59-A62 WeakPolarHBondContact O-CB 3.41Å; G59-A62 PolarHBondContact O-N 3.04Å; A62-V65 PolarHBondContact O-N 2.69Å; A62-R66 WeakPolarHBondContact O-CG 3.27Å; A62-R66 PolarHBondContact O-N 3.07Å; A62-R66 VanDerWaalsContact O-N 3.15Å; A62-F236 HydrophobicContact CB-CE1 3.92Å; A62-F236 HydrophobicContact CB-CE2 4.29Å; A62-F236 HydrophobicContact CB-CZ 3.55Å
63	F	74.9	Confident	75.7	Confident	11 Å²	11	31 Å²	31	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-50.5	176.3	-178.3	-82.8	0	0	0	112.1	G59 R60 T61 V65 R66 F67 F188 W192 F200 V204 F208	G59-F63 PolarHBondContact O-N 2.9Å; R60-F63 PolarHBondContact O-N 2.94Å; T61-F63 VanDerWaalsContact C-N 3.35Å; T61-F63 PolarHBondContact O-N 3.14Å; F63-V65 VanDerWaalsContact C-N 3.34Å; F63-V65 PolarHBondContact O-N 2.93Å; F63-R66 PolarHBondContact O-N 3.45Å; F63-F67 HydrophobicContact CD1-CB 4.45Å; F63-F67 HydrophobicContact CE1-CB 4.27Å; F63-F67 WeakPolarHBondContact O-CB 3.38Å; F63-F67 PolarHBondContact O-N 3.48Å; F63-F188 HydrophobicContact CD2-CD1 4.4Å; F63-F188 HydrophobicContact CD2-CE1 4.2Å; F63-F188 AromaticContact CE2-CD1 3.78Å; F63-F188 HydrophobicContact CE2-CD1 3.78Å; F63-F188 AromaticContact CE2-CE1 3.8Å; F63-F188 HydrophobicContact CE2-CE1 3.8Å; F63-F188 HydrophobicContact CZ-CD1 4.47Å; F63-F188 HydrophobicContact CZ-CE1 4.31Å; F63-W192 HydrophobicContact CD2-CZ3 4.41Å; F63-W192 AromaticContact CE2-CH2 3.8Å; F63-W192 HydrophobicContact CE2-CH2 3.8Å; F63-W192 AromaticContact CE2-CZ3 3.56Å; F63-W192 HydrophobicContact CE2-CZ3 3.56Å; F63-W192 AromaticContact CZ-CH2 3.93Å; F63-W192 HydrophobicContact CZ-CH2 3.93Å; F63-W192 AromaticContact CZ-CZ3 3.86Å; F63-W192 HydrophobicContact CZ-CZ3 3.86Å; F63-F200 HydrophobicContact CB-CZ 4.44Å; F63-F200 HydrophobicContact CD1-CE1 4.3Å; F63-F200 HydrophobicContact CD1-CE2 4.25Å; F63-F200 AromaticContact CD1-CZ 3.43Å; F63-F200 HydrophobicContact CD1-CZ 3.43Å; F63-F200 VanDerWaalsContact CD1-CZ 3.43Å; F63-F200 HydrophobicContact CE1-CE1 4.42Å; F63-F200 AromaticContact CE1-CZ 3.75Å; F63-F200 HydrophobicContact CE1-CZ 3.75Å; F63-F200 HydrophobicContact CG-CZ 4Å; F63-V204 HydrophobicContact CE1-CG1 4.41Å; F63-V204 HydrophobicContact CE1-CG2 3.75Å; F63-V204 HydrophobicContact CZ-CG1 3.81Å; F63-V204 HydrophobicContact CZ-CG2 3.95Å; F63-F208 HydrophobicContact CE2-CE2 4.35Å; F63-F208 HydrophobicContact CE2-CZ 4.32Å; F63-F208 AromaticContact CZ-CE2 3.68Å; F63-F208 HydrophobicContact CZ-CE2 3.68Å; F63-F208 HydrophobicContact CZ-CZ 4.03Å
64	F	75.1	Confident	75.2	Confident	18 Å²	18	26.1 Å²	26.1	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-48.5	179.3	170.6	-92	0	0	0	111.5	R60 T61 R66 F67 F68 F117 Y158	R60-F64 PolarHBondContact O-N 3.13Å; T61-F64 PolarHBondContact O-N 2.8Å; F64-R66 VanDerWaalsContact C-N 3.27Å; F64-R66 PolarHBondContact O-N 2.86Å; F64-F67 CarbonylContact O-C 3.6Å; F64-F67 WeakPolarHBondContact O-CB 3.32Å; F64-F67 PolarHBondContact O-N 3.21Å; F64-F67 VanDerWaalsContact O-N 3.08Å; F64-F68 HydrophobicContact CE1-CB 4.17Å; F64-F68 HydrophobicContact CZ-CB 4.3Å; F64-F68 HydrophobicContact CZ-CD2 4.48Å; F64-F68 WeakPolarHBondContact O-CB 3.46Å; F64-F68 PolarHBondContact O-N 3.25Å; F64-F117 HydrophobicContact CB-CD1 4.3Å; F64-F117 HydrophobicContact CB-CD2 4.41Å; F64-F117 HydrophobicContact CB-CE1 3.75Å; F64-F117 HydrophobicContact CB-CE2 3.79Å; F64-F117 HydrophobicContact CB-CZ 3.45Å; F64-F117 VanDerWaalsContact CB-CZ 3.45Å; F64-F117 HydrophobicContact CD1-CD1 4.32Å; F64-F117 AromaticContact CD1-CE1 3.17Å; F64-F117 HydrophobicContact CD1-CE1 3.17Å; F64-F117 HydrophobicContact CD1-CE2 4.2Å; F64-F117 AromaticContact CD1-CZ 3.08Å; F64-F117 HydrophobicContact CD1-CZ 3.08Å; F64-F117 AromaticContact CD2-CD1 3.58Å; F64-F117 HydrophobicContact CD2-CD1 3.58Å; F64-F117 AromaticContact CD2-CE1 3.18Å; F64-F117 HydrophobicContact CD2-CE1 3.18Å; F64-F117 AromaticContact CD2-CZ 3.82Å; F64-F117 HydrophobicContact CD2-CZ 3.82Å; F64-F117 AromaticContact CE1-CE1 3.41Å; F64-F117 HydrophobicContact CE1-CE1 3.41Å; F64-F117 VanDerWaalsContact CE1-CE1 3.41Å; F64-F117 AromaticContact CE1-CZ 3.7Å; F64-F117 HydrophobicContact CE1-CZ 3.7Å; F64-F117 AromaticContact CE2-CD1 3.89Å; F64-F117 HydrophobicContact CE2-CD1 3.89Å; F64-F117 AromaticContact CE2-CE1 3.41Å; F64-F117 HydrophobicContact CE2-CE1 3.41Å; F64-F117 VanDerWaalsContact CE2-CE1 3.41Å; F64-F117 HydrophobicContact CE2-CZ 4.33Å; F64-F117 AromaticContact CG-CD1 3.8Å; F64-F117 HydrophobicContact CG-CD1 3.8Å; F64-F117 AromaticContact CG-CE1 3.03Å; F64-F117 HydrophobicContact CG-CE1 3.03Å; F64-F117 AromaticContact CG-CE2 3.99Å; F64-F117 HydrophobicContact CG-CE2 3.99Å; F64-F117 AromaticContact CG-CZ 3.14Å; F64-F117 HydrophobicContact CG-CZ 3.14Å; F64-F117 HydrophobicContact CZ-CD1 4.39Å; F64-F117 AromaticContact CZ-CE1 3.53Å; F64-F117 HydrophobicContact CZ-CE1 3.53Å; F64-F117 HydrophobicContact CZ-CZ 4.28Å; F64-Y158 HydrophobicContact CE2-CE2 4.17Å; F64-Y158 VanDerWaalsContact CE2-OH 3.25Å; F64-Y158 WeakPolarHBondContact CE2-OH 3.33Å; F64-Y158 AromaticContact CZ-CE2 3.99Å; F64-Y158 HydrophobicContact CZ-CE2 3.99Å; F64-Y158 AromaticContact CZ-CZ 3.93Å; F64-Y158 WeakPolarHBondContact CZ-OH 3.08Å
65	V	78	Confident	74.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-38.4	-177.3	176.5	0	0	0	0	110.7	T61 A62 F63 K69 S166 S235 F236	T61-V65 HydrophobicContact CG2-CG2 4.47Å; T61-V65 WeakPolarHBondContact O-CG2 3.45Å; T61-V65 PolarHBondContact O-N 2.85Å; A62-V65 PolarHBondContact O-N 2.69Å; F63-V65 VanDerWaalsContact C-N 3.34Å; F63-V65 PolarHBondContact O-N 2.93Å; V65-K69 HydrophobicContact CG1-CD 4.26Å; V65-K69 WeakPolarHBondContact O-CB 3.42Å; V65-K69 VanDerWaalsContact O-CG 3.22Å; V65-K69 WeakPolarHBondContact O-CG 3.35Å; V65-K69 PolarHBondContact O-N 2.86Å; V65-S166 VanDerWaalsContact CG1-OG 3.24Å; V65-S166 WeakPolarHBondContact CG1-OG 3.04Å; V65-S235 WeakPolarHBondContact CG1-O 3.16Å; V65-F236 HydrophobicContact CB-CD1 4.07Å; V65-F236 HydrophobicContact CB-CE1 4.39Å; V65-F236 HydrophobicContact CG1-CD1 4.24Å; V65-F236 HydrophobicContact CG2-CD1 4Å; V65-F236 HydrophobicContact CG2-CE1 4.15Å
66	R	76.5	Confident	73.6	Confident	10 Å²	10	31.6 Å²	31.6	4%	0.038	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-40.8	173.4	-68.6	-171.5	-51.6	-97.4	2.7	112.8	A62 F63 F64 K69 R70 Y185 F188 F234 S235	A62-R66 WeakPolarHBondContact O-CG 3.27Å; A62-R66 PolarHBondContact O-N 3.07Å; A62-R66 VanDerWaalsContact O-N 3.15Å; F63-R66 PolarHBondContact O-N 3.45Å; F64-R66 VanDerWaalsContact C-N 3.27Å; F64-R66 PolarHBondContact O-N 2.86Å; R66-K69 PolarHBondContact O-N 3.3Å; R66-R70 PolarHBondContact O-N 3.38Å; R66-R70 VanDerWaalsContact O-N 3.15Å; R66-Y185 PolarHBondContact NH1-O 3.34Å; R66-Y185 PolarHBondContact NH2-O 3.43Å; R66-F188 HydrophobicContact CB-CZ 3.87Å; R66-F234 VanDerWaalsContact CD-CE1 3.45Å; R66-S235 PolarHBondContact NH1-OG 2.99Å
67	F	71.1	Confident	73.3	Confident	12 Å²	12	35 Å²	35	5%	0.053	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-51.1	177.9	-177.7	-106	0	0	0	110.6	F63 F64 K69 R70 I71 Y207	F63-F67 HydrophobicContact CD1-CB 4.45Å; F63-F67 HydrophobicContact CE1-CB 4.27Å; F63-F67 WeakPolarHBondContact O-CB 3.38Å; F63-F67 PolarHBondContact O-N 3.48Å; F64-F67 CarbonylContact O-C 3.6Å; F64-F67 WeakPolarHBondContact O-CB 3.32Å; F64-F67 PolarHBondContact O-N 3.21Å; F64-F67 VanDerWaalsContact O-N 3.08Å; F67-K69 VanDerWaalsContact C-N 3.34Å; F67-K69 PolarHBondContact O-N 3.18Å; F67-R70 WeakPolarHBondContact O-CA 3.44Å; F67-R70 WeakPolarHBondContact O-CB 3.42Å; F67-R70 PolarHBondContact O-N 3.33Å; F67-I71 HydrophobicContact CD1-CD1 3.93Å; F67-I71 HydrophobicContact CD1-CG1 4.12Å; F67-I71 HydrophobicContact CD2-CG2 4.49Å; F67-I71 HydrophobicContact CE1-CD1 3.26Å; F67-I71 HydrophobicContact CE1-CG1 3.86Å; F67-I71 HydrophobicContact CE2-CG2 3.98Å; F67-I71 HydrophobicContact CZ-CD1 3.61Å; F67-I71 HydrophobicContact CZ-CG1 4.12Å; F67-I71 HydrophobicContact CZ-CG2 4.03Å; F67-I71 WeakPolarHBondContact O-CG1 3.03Å; F67-I71 PolarHBondContact O-N 3.49Å; F67-Y207 HydrophobicContact CE1-CD2 4.32Å; F67-Y207 HydrophobicContact CE1-CE2 4.19Å; F67-Y207 HydrophobicContact CE2-CD1 4.14Å; F67-Y207 HydrophobicContact CE2-CD2 4.14Å; F67-Y207 AromaticContact CE2-CG 3.8Å; F67-Y207 HydrophobicContact CE2-CG 3.8Å; F67-Y207 AromaticContact CZ-CD1 3.65Å; F67-Y207 HydrophobicContact CZ-CD1 3.65Å; F67-Y207 AromaticContact CZ-CD2 3.51Å; F67-Y207 HydrophobicContact CZ-CD2 3.51Å; F67-Y207 AromaticContact CZ-CE1 3.86Å; F67-Y207 HydrophobicContact CZ-CE1 3.86Å; F67-Y207 AromaticContact CZ-CE2 3.7Å; F67-Y207 HydrophobicContact CZ-CE2 3.7Å; F67-Y207 AromaticContact CZ-CG 3.46Å; F67-Y207 HydrophobicContact CZ-CG 3.46Å; F67-Y207 VanDerWaalsContact CZ-CG 3.46Å; F67-Y207 AromaticContact CZ-CZ 3.87Å
68	F	72.9	Confident	72.7	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-51.2	-50.4	172	176.3	-95.8	0	0	0	111.4	F64 R70 I71 A72 Y158 F159 M163	F64-F68 HydrophobicContact CE1-CB 4.17Å; F64-F68 HydrophobicContact CZ-CB 4.3Å; F64-F68 HydrophobicContact CZ-CD2 4.48Å; F64-F68 WeakPolarHBondContact O-CB 3.46Å; F64-F68 PolarHBondContact O-N 3.25Å; F68-R70 PolarHBondContact O-N 3.3Å; F68-R70 VanDerWaalsContact O-N 3.09Å; F68-I71 PolarHBondContact O-N 3.01Å; F68-A72 HydrophobicContact CD1-CB 4.24Å; F68-A72 HydrophobicContact CD2-CB 3.73Å; F68-A72 HydrophobicContact CE1-CB 4.04Å; F68-A72 HydrophobicContact CE2-CB 3.5Å; F68-A72 HydrophobicContact CG-CB 4.09Å; F68-A72 HydrophobicContact CZ-CB 3.65Å; F68-A72 WeakPolarHBondContact O-CB 3.37Å; F68-A72 PolarHBondContact O-N 3.06Å; F68-Y158 HydrophobicContact CD2-CD1 4.26Å; F68-Y158 AromaticContact CD2-CE1 3.55Å; F68-Y158 HydrophobicContact CD2-CE1 3.55Å; F68-Y158 AromaticContact CD2-CZ 3.99Å; F68-Y158 AromaticContact CE2-CD1 3.92Å; F68-Y158 HydrophobicContact CE2-CD1 3.92Å; F68-Y158 AromaticContact CE2-CE1 3.68Å; F68-Y158 HydrophobicContact CE2-CE1 3.68Å; F68-F159 HydrophobicContact CZ-CB 4.44Å; F68-F159 HydrophobicContact CZ-CD2 4.11Å; F68-F159 HydrophobicContact CZ-CG 4.32Å; F68-M163 HydrophobicContact CE1-CG 4.08Å; F68-M163 HydrophobicContact CE1-SD 4.04Å; F68-M163 HydrophobicContact CZ-CG 4.25Å
69	K	72.3	Confident	71.8	Confident	37 Å²	37	42.1 Å²	42.1	16%	0.161	20%	0.204	C	C	.	.	H	α-helix	trans	-57.6	-24.7	175.7	-77.3	171.6	175.9	176.7	0	114.4	V65 R66 F67 F86 S166 S235 F236 C237	V65-K69 HydrophobicContact CG1-CD 4.26Å; V65-K69 WeakPolarHBondContact O-CB 3.42Å; V65-K69 VanDerWaalsContact O-CG 3.22Å; V65-K69 WeakPolarHBondContact O-CG 3.35Å; V65-K69 PolarHBondContact O-N 2.86Å; R66-K69 PolarHBondContact O-N 3.3Å; F67-K69 VanDerWaalsContact C-N 3.34Å; F67-K69 PolarHBondContact O-N 3.18Å; K69-F86 VanDerWaalsContact CE-CZ 3.42Å; K69-S166 WeakPolarHBondContact CE-OG 3.45Å; K69-S235 PolarHBondContact NZ-O 2.72Å; K69-F236 PolarHBondContact NZ-O 3.43Å; K69-C237 PolarHBondContact NZ-O 3.39Å
70	R	71.4	Confident	71.3	Confident	151 Å²	151	46.5 Å²	46.5	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-86.5	-39.2	-179.9	-178.1	175.9	-178.6	173.3	-0.4	112.4	R66 F67 F68	R66-R70 PolarHBondContact O-N 3.38Å; R66-R70 VanDerWaalsContact O-N 3.15Å; F67-R70 WeakPolarHBondContact O-CA 3.44Å; F67-R70 WeakPolarHBondContact O-CB 3.42Å; F67-R70 PolarHBondContact O-N 3.33Å; F68-R70 PolarHBondContact O-N 3.3Å; F68-R70 VanDerWaalsContact O-N 3.09Å
71	I	66.1	Low	70.6	Confident	60 Å²	60	46.4 Å²	46.4	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-106.3	-21.8	-170.1	64.6	148.8	0	0	0	114.1	F67 F68	F67-I71 HydrophobicContact CD1-CD1 3.93Å; F67-I71 HydrophobicContact CD1-CG1 4.12Å; F67-I71 HydrophobicContact CD2-CG2 4.49Å; F67-I71 HydrophobicContact CE1-CD1 3.26Å; F67-I71 HydrophobicContact CE1-CG1 3.86Å; F67-I71 HydrophobicContact CE2-CG2 3.98Å; F67-I71 HydrophobicContact CZ-CD1 3.61Å; F67-I71 HydrophobicContact CZ-CG1 4.12Å; F67-I71 HydrophobicContact CZ-CG2 4.03Å; F67-I71 WeakPolarHBondContact O-CG1 3.03Å; F67-I71 PolarHBondContact O-N 3.49Å; F68-I71 PolarHBondContact O-N 3.01Å
72	A	68.1	Low	69.6	Low	8 Å²	8	48.9 Å²	48.9	7%	0.066	25%	0.252	C	S	.	.			trans	-67.8	136.5	-174.5	0	0	0	0	0	111.4	F68 I81	F68-A72 HydrophobicContact CD1-CB 4.24Å; F68-A72 HydrophobicContact CD2-CB 3.73Å; F68-A72 HydrophobicContact CE1-CB 4.04Å; F68-A72 HydrophobicContact CE2-CB 3.5Å; F68-A72 HydrophobicContact CG-CB 4.09Å; F68-A72 HydrophobicContact CZ-CB 3.65Å; F68-A72 WeakPolarHBondContact O-CB 3.37Å; F68-A72 PolarHBondContact O-N 3.06Å; A72-I81 HydrophobicContact CB-CD1 3.58Å
73	K	67.3	Low	68.6	Low	112 Å²	112	52.9 Å²	52.9	49%	0.487	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.8	172.7	-64.5	-179.5	-178.9	178.5	0	108.5	T75 S79	K73-T75 PolarHBondContact O-N 3.31Å; K73-S79 WeakPolarHBondContact CA-O 3.43Å
74	D	67	Low	67.7	Low	11 Å²	11	56.6 Å²	56.6	6%	0.059	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.2	165.7	-176.1	-30.2	0	0	0	107.6	R76 T77 N78 S79 K88 F159	D74-R76 PolarHBondContact O-N 2.68Å; D74-R76 WeakPolarHBondContact OD1-CB 3.33Å; D74-R76 IonicContact OD1-CZ 2.87Å; D74-R76 PolarHBondContact OD1-N 2.8Å; D74-R76 IonicContact OD1-NE 3.28Å; D74-R76 PolarHBondContact OD1-NE 3.43Å; D74-R76 IonicContact OD1-NH2 2.84Å; D74-R76 PolarHBondContact OD1-NH2 3.22Å; D74-R76 IonicContact OD2-CZ 2.79Å; D74-R76 IonicContact OD2-NE 3.43Å; D74-R76 IonicContact OD2-NH2 3.3Å; D74-R76 PolarHBondContact OD2-NH2 3.41Å; D74-T77 WeakPolarHBondContact CB-OG1 3.28Å; D74-N78 WeakPolarHBondContact O-CA 3.36Å; D74-N78 PolarHBondContact O-N 2.85Å; D74-S79 PolarHBondContact N-O 3.17Å; D74-S79 PolarHBondContact O-N 3.3Å; D74-K88 VanDerWaalsContact OD2-O 3.07Å; D74-F159 HydrophobicContact CB-CE2 4.34Å
75	T	64.2	Low	66.8	Low	57 Å²	57	59 Å²	59	35%	0.35	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.3	-175.4	52.1	0	0	0	0	112.7	K73 M155 E156	K73-T75 PolarHBondContact O-N 3.31Å; T75-M155 HydrophobicContact CG2-CB 3.2Å; T75-M155 HydrophobicContact CG2-CG 4.32Å; T75-E156 PolarHBondContact OG1-OE2 3.34Å; T75-E156 VanDerWaalsContact OG1-OE2 3.13Å
76	R	64.4	Low	65.8	Low	109 Å²	109	59.5 Å²	59.5	41%	0.411	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-35.7	-176.1	-57.9	161.4	-65	-151.7	2.3	111.5	D74 K88 E156	D74-R76 PolarHBondContact O-N 2.68Å; D74-R76 WeakPolarHBondContact OD1-CB 3.33Å; D74-R76 IonicContact OD1-CZ 2.87Å; D74-R76 PolarHBondContact OD1-N 2.8Å; D74-R76 IonicContact OD1-NE 3.28Å; D74-R76 PolarHBondContact OD1-NE 3.43Å; D74-R76 IonicContact OD1-NH2 2.84Å; D74-R76 PolarHBondContact OD1-NH2 3.22Å; D74-R76 IonicContact OD2-CZ 2.79Å; D74-R76 IonicContact OD2-NE 3.43Å; D74-R76 IonicContact OD2-NH2 3.3Å; D74-R76 PolarHBondContact OD2-NH2 3.41Å; R76-K88 PolarHBondContact NH2-O 3.34Å; R76-E156 IonicContact NH1-OE1 2.77Å; R76-E156 PolarHBondContact NH1-OE1 2.94Å
77	T	67.7	Low	64.6	Low	86 Å²	86	59.5 Å²	59.5	53%	0.528	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-8.1	179.4	60.6	0	0	0	0	112.8	D74 S79	D74-T77 WeakPolarHBondContact CB-OG1 3.28Å; T77-S79 PolarHBondContact O-N 3.27Å; T77-S79 PolarHBondContact OG1-N 3.38Å; T77-S79 PolarHBondContact OG1-OG 2.93Å
78	N	67.9	Low	63.6	Low	124 Å²	124	64.6 Å²	64.6	66%	0.663	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	25.8	-171.1	-164.4	23.3	0	0	0	113.5	D74	D74-N78 WeakPolarHBondContact O-CA 3.36Å; D74-N78 PolarHBondContact O-N 2.85Å
79	S	67.5	Low	62.6	Low	53 Å²	53	67.9 Å²	67.9	37%	0.371	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	153.3	-176.6	66.5	0	0	0	0	111.2	K73 D74 T77 I81	K73-S79 WeakPolarHBondContact CA-O 3.43Å; D74-S79 PolarHBondContact N-O 3.17Å; D74-S79 PolarHBondContact O-N 3.3Å; T77-S79 PolarHBondContact O-N 3.27Å; T77-S79 PolarHBondContact OG1-N 3.38Å; T77-S79 PolarHBondContact OG1-OG 2.93Å; S79-I81 PolarHBondContact O-N 2.96Å
80	S	66.2	Low	61.5	Low	93 Å²	93	68.5 Å²	68.5	65%	0.65	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	139.4	168.3	50	0	0	0	0	110.1	P82	S80-P82 VanDerWaalsContact O-CD 3.31Å; S80-P82 WeakPolarHBondContact O-CD 3.14Å
81	I	61.2	Low	60.8	Low	21 Å²	21	62.1 Å²	62.1	11%	0.108	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-69.8	118.2	173.4	-59.6	167	0	0	0	107.4	A72 S79 R83 P87 F159	A72-I81 HydrophobicContact CB-CD1 3.58Å; S79-I81 PolarHBondContact O-N 2.96Å; I81-R83 PolarHBondContact O-N 3.49Å; I81-P87 HydrophobicContact CD1-CG 4.33Å; I81-P87 HydrophobicContact CG1-CB 4.4Å; I81-P87 HydrophobicContact CG1-CG 4.4Å; I81-P87 HydrophobicContact CG2-CB 3.87Å; I81-P87 HydrophobicContact CG2-CG 3.77Å; I81-F159 HydrophobicContact CD1-CD2 3.69Å; I81-F159 HydrophobicContact CD1-CE2 3.16Å; I81-F159 HydrophobicContact CD1-CZ 4.13Å; I81-F159 HydrophobicContact CG1-CE2 3.66Å; I81-F159 HydrophobicContact CG1-CZ 4.46Å
82	P	60.6	Low	60.3	Low	52 Å²	52	65.2 Å²	65.2	34%	0.338	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.9	122.6	180	-12.4	25.3	0	0	0	109.4	S80 H84 M85	S80-P82 VanDerWaalsContact O-CD 3.31Å; S80-P82 WeakPolarHBondContact O-CD 3.14Å; P82-H84 WeakPolarHBondContact CB-CE1 3.32Å; P82-H84 PolarHBondContact O-N 2.89Å; P82-M85 HydrophobicContact CB-CB 4.38Å; P82-M85 CarbonylContact O-C 3.25Å; P82-M85 VanDerWaalsContact O-C 3.25Å; P82-M85 PolarHBondContact O-N 2.84Å
83	R	59.7	Low	60.4	Low	84 Å²	84	70.5 Å²	70.5	32%	0.317	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.4	-174.7	-50.2	179.4	174.8	-174.8	2.4	113.8	I81 N243 R244	I81-R83 PolarHBondContact O-N 3.49Å; R83-N243 VanDerWaalsContact CB-OD1 3.25Å; R83-N243 WeakPolarHBondContact CB-OD1 3.24Å; R83-N243 PolarHBondContact N-OD1 2.93Å; R83-R244 PolarHBondContact NH1-O 2.91Å
84	H	57.3	Low	61	Low	88 Å²	88	66 Å²	66	41%	0.407	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.5	175.7	65.6	-84.4	0	0	0	114.1	P82 D239 N243	P82-H84 WeakPolarHBondContact CB-CE1 3.32Å; P82-H84 PolarHBondContact O-N 2.89Å; H84-D239 VanDerWaalsContact CA-O 3.29Å; H84-D239 WeakPolarHBondContact CA-O 3.37Å; H84-N243 HydrophobicContact CB-CB 4.28Å
85	M	56	Low	61.8	Low	69 Å²	69	65.9 Å²	65.9	34%	0.34	36%	0.357	S	S	.	.	S	Bend	trans	-127	108.4	173.9	-75.3	-178.5	77.2	0	0	107.7	P82 K88	P82-M85 HydrophobicContact CB-CB 4.38Å; P82-M85 CarbonylContact O-C 3.25Å; P82-M85 VanDerWaalsContact O-C 3.25Å; P82-M85 PolarHBondContact O-N 2.84Å; M85-K88 HydrophobicContact CE-CD 4.2Å; M85-K88 HydrophobicContact CE-CG 4.37Å
86	F	56.6	Low	62.7	Low	11 Å²	11	69.3 Å²	69.3	5%	0.048	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-56.8	133.1	162.3	-92	-49.1	0	0	0	108.6	K69 M163 S166 P238 L286	K69-F86 VanDerWaalsContact CE-CZ 3.42Å; F86-M163 HydrophobicContact CB-CE 3.91Å; F86-M163 HydrophobicContact CD1-CE 3.25Å; F86-M163 HydrophobicContact CD1-SD 3.56Å; F86-M163 VanDerWaalsContact CD1-SD 3.56Å; F86-M163 HydrophobicContact CE1-CE 3.81Å; F86-M163 HydrophobicContact CE1-SD 3.81Å; F86-M163 HydrophobicContact CG-CE 3.68Å; F86-S166 WeakPolarHBondContact CZ-OG 3.25Å; F86-P238 HydrophobicContact CD2-CB 3.4Å; F86-P238 HydrophobicContact CD2-CG 3.38Å; F86-P238 HydrophobicContact CE2-CB 3.36Å; F86-P238 VanDerWaalsContact CE2-CD 3.41Å; F86-P238 HydrophobicContact CE2-CG 3.37Å; F86-P238 HydrophobicContact CG-CB 4.16Å; F86-P238 HydrophobicContact CG-CG 4.49Å; F86-P238 HydrophobicContact CZ-CB 4.08Å; F86-P238 HydrophobicContact CZ-CG 4.46Å; F86-L286 HydrophobicContact CD2-CD1 3.55Å; F86-L286 HydrophobicContact CE2-CD1 3.71Å
87	P	50.5	Low	63.4	Low	9 Å²	9	66.5 Å²	66.5	6%	0.058	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-60.2	149.4	-151.8	17.2	-28.2	0	0	0	112.2	I81 F159 M163	I81-P87 HydrophobicContact CD1-CG 4.33Å; I81-P87 HydrophobicContact CG1-CB 4.4Å; I81-P87 HydrophobicContact CG1-CG 4.4Å; I81-P87 HydrophobicContact CG2-CB 3.87Å; I81-P87 HydrophobicContact CG2-CG 3.77Å; P87-F159 HydrophobicContact CB-CE1 4.36Å; P87-F159 HydrophobicContact CB-CE2 4.22Å; P87-F159 HydrophobicContact CB-CZ 3.47Å; P87-F159 VanDerWaalsContact CB-CZ 3.47Å; P87-F159 HydrophobicContact CG-CE1 3.82Å; P87-F159 HydrophobicContact CG-CE2 3.85Å; P87-F159 HydrophobicContact CG-CZ 3.12Å; P87-M163 VanDerWaalsContact CD-SD 3.52Å; P87-M163 HydrophobicContact CG-CE 3.99Å; P87-M163 HydrophobicContact CG-CG 4.18Å; P87-M163 HydrophobicContact CG-SD 3.66Å
88	K	51.2	Low	64.3	Low	120 Å²	120	62.4 Å²	62.4	52%	0.522	34%	0.335	S	S	.	.	S	Bend	trans	-84.6	154	164.8	-74.8	180	172	176.8	0	109.4	D74 R76 M85 R285	D74-K88 VanDerWaalsContact OD2-O 3.07Å; R76-K88 PolarHBondContact NH2-O 3.34Å; M85-K88 HydrophobicContact CE-CD 4.2Å; M85-K88 HydrophobicContact CE-CG 4.37Å; K88-R285 VanDerWaalsContact CE-NH1 3.31Å
89	P	50.8	Low	65.2	Low	71 Å²	71	58.9 Å²	58.9	46%	0.461	31%	0.314	S	S	.	.	S	Bend	cis	-71.1	166.7	-15.1	5.9	12	0	0	0	110.6
90	A	50.9	Low	66.1	Low	49 Å²	49	60 Å²	60	41%	0.405	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-49.5	150.3	177.9	0	0	0	0	0	110.5	D92	A90-D92 PolarHBondContact O-N 3.32Å
91	L	56.6	Low	67.3	Low	18 Å²	18	59.5 Å²	59.5	9%	0.094	31%	0.307	C	S	.	.			trans	-64.5	88.1	157.4	-77.1	102.7	0	0	0	106.3	N93 L94 M163 T164 Y167	L91-N93 PolarHBondContact O-N 3.46Å; L91-L94 HydrophobicContact CD2-CD2 4.47Å; L91-M163 HydrophobicContact CD1-CB 3.71Å; L91-M163 HydrophobicContact CD1-CE 4.1Å; L91-M163 HydrophobicContact CD1-CG 4.46Å; L91-M163 HydrophobicContact CD2-CB 4.26Å; L91-T164 WeakPolarHBondContact CD2-OG1 3.02Å; L91-Y167 HydrophobicContact CD1-CD2 3.93Å; L91-Y167 HydrophobicContact CD1-CE2 3.57Å
92	D	55.1	Low	68.8	Low	125 Å²	125	58.5 Å²	58.5	67%	0.668	30%	0.302	S	S	*	.	S	Bend	trans	-55.2	-33.4	172.8	-62.4	-29.9	0	0	0	109.1	A90	A90-D92 PolarHBondContact O-N 3.32Å
93	N	70.8	Confident	70.1	Confident	119 Å²	119	59.2 Å²	59.2	64%	0.636	30%	0.298	S	S	*	.	S	Bend	trans	-132.4	130.7	171.1	-62.6	-56.2	0	0	0	110.4	L91	L91-N93 PolarHBondContact O-N 3.46Å
94	L	79.4	Confident	71.4	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.084	31%	0.313	C	S	.	.			trans	-65.1	156.1	169.1	-64.4	167	0	0	0	109.6	L91 F96 E99 T164 F168 F278 I282	L91-L94 HydrophobicContact CD2-CD2 4.47Å; L94-F96 PolarHBondContact O-N 3.29Å; L94-F96 VanDerWaalsContact O-N 3.08Å; L94-E99 HydrophobicContact CB-CB 4.01Å; L94-E99 HydrophobicContact CB-CG 4.39Å; L94-E99 HydrophobicContact CD1-CG 4.21Å; L94-T164 HydrophobicContact CB-CG2 3.87Å; L94-T164 HydrophobicContact CD2-CG2 3.93Å; L94-T164 HydrophobicContact CG-CG2 4.44Å; L94-F168 HydrophobicContact CD1-CE2 3.97Å; L94-F168 HydrophobicContact CD1-CZ 3.89Å; L94-F278 HydrophobicContact CD1-CE1 3.51Å; L94-F278 HydrophobicContact CD1-CZ 3.91Å; L94-F278 HydrophobicContact CD2-CZ 4.41Å; L94-I282 HydrophobicContact CD1-CD1 3.81Å; L94-I282 HydrophobicContact CD2-CD1 3.82Å; L94-I282 HydrophobicContact CG-CD1 4.19Å
95	H	83.9	Confident	73	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.046	30%	0.297	C	S	.	.			trans	-62.1	117.4	178.9	-169.8	-77.2	0	0	0	110.5	M97 L98 E99 F161 T164	H95-M97 PolarHBondContact ND1-N 2.66Å; H95-M97 PolarHBondContact O-N 3.28Å; H95-M97 VanDerWaalsContact O-N 3.07Å; H95-L98 HydrophobicContact CB-CB 4.46Å; H95-L98 PolarHBondContact O-N 2.99Å; H95-E99 PolarHBondContact O-N 3.44Å; H95-F161 AromaticContact CG-CD2 3.97Å; H95-F161 AromaticContact ND1-CD2 3.88Å; H95-T164 HydrophobicContact CB-CG2 4.08Å; H95-T164 WeakPolarHBondContact CB-OG1 3.31Å; H95-T164 PolarHBondContact N-OG1 2.93Å
96	F	82.1	Confident	74.8	Confident	128 Å²	128	56.1 Å²	56.1	56%	0.561	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.8	-170.9	73.1	-82.3	0	0	0	114.3	L94 P100	L94-F96 PolarHBondContact O-N 3.29Å; L94-F96 VanDerWaalsContact O-N 3.08Å; F96-P100 WeakPolarHBondContact O-CD 3.33Å; F96-P100 WeakPolarHBondContact O-CG 3.4Å
97	M	80.6	Confident	76.5	Confident	50 Å²	50	56.8 Å²	56.8	25%	0.246	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-27.8	176.8	-64.9	-145.3	-65.7	0	0	113.5	H95 H101 M149	H95-M97 PolarHBondContact ND1-N 2.66Å; H95-M97 PolarHBondContact O-N 3.28Å; H95-M97 VanDerWaalsContact O-N 3.07Å; M97-H101 PolarHBondContact O-CD2 2.77Å; M97-H101 VanDerWaalsContact O-CD2 3.3Å; M97-M149 HydrophobicContact CE-CB 4.29Å; M97-M149 HydrophobicContact CE-CE 3.25Å; M97-M149 HydrophobicContact CE-CG 4.04Å; M97-M149 HydrophobicContact CE-SD 4.37Å
98	L	86.4	Confident	78.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-39.8	-173.1	-171	62.8	0	0	0	111.1	H95 H101 C102 V112 I113 F161 T164 A165	H95-L98 HydrophobicContact CB-CB 4.46Å; H95-L98 PolarHBondContact O-N 2.99Å; L98-H101 PolarHBondContact O-N 2.76Å; L98-C102 WeakPolarHBondContact CD1-SG 3.16Å; L98-C102 WeakPolarHBondContact CG-SG 3.49Å; L98-C102 WeakPolarHBondContact O-CB 3.47Å; L98-C102 PolarHBondContact O-N 3.18Å; L98-C102 PolarHBondContact O-SG 3.49Å; L98-C102 VanDerWaalsContact O-SG 3.37Å; L98-V112 HydrophobicContact CD1-CB 4.2Å; L98-V112 HydrophobicContact CD1-CG1 3.82Å; L98-I113 HydrophobicContact CD1-CD1 4.16Å; L98-I113 HydrophobicContact CD1-CG1 3.44Å; L98-I113 VanDerWaalsContact CD1-CG1 3.44Å; L98-I113 HydrophobicContact CD2-CD1 4.42Å; L98-I113 HydrophobicContact CD2-CG1 4.13Å; L98-I113 HydrophobicContact CG-CG1 4.45Å; L98-F161 HydrophobicContact CB-CE2 4.16Å; L98-F161 HydrophobicContact CD1-CE2 4.31Å; L98-F161 HydrophobicContact CD1-CZ 4.48Å; L98-F161 HydrophobicContact CD2-CE2 4.13Å; L98-F161 HydrophobicContact CD2-CZ 4.3Å; L98-F161 HydrophobicContact CG-CE2 4.44Å; L98-T164 HydrophobicContact CB-CG2 4.1Å; L98-T164 HydrophobicContact CD2-CG2 3.85Å; L98-T164 HydrophobicContact CG-CG2 4.27Å; L98-A165 VanDerWaalsContact CD2-CA 3.42Å; L98-A165 HydrophobicContact CD2-CB 3.65Å
99	E	85.7	Confident	80.4	Confident	50 Å²	50	51.8 Å²	51.8	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-53.6	-50.8	-175.4	170.8	175.7	-153.1	0	0	114.2	L94 H95 H101 C102 R103 F168	L94-E99 HydrophobicContact CB-CB 4.01Å; L94-E99 HydrophobicContact CB-CG 4.39Å; L94-E99 HydrophobicContact CD1-CG 4.21Å; H95-E99 PolarHBondContact O-N 3.44Å; E99-H101 VanDerWaalsContact C-N 3.27Å; E99-H101 PolarHBondContact O-N 2.98Å; E99-C102 PolarHBondContact O-N 3.45Å; E99-R103 HydrophobicContact CG-CG 4.16Å; E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 WeakPolarHBondContact O-CG 2.85Å; E99-R103 PolarHBondContact O-N 3.46Å; E99-R103 IonicContact OE1-CZ 2.83Å; E99-R103 IonicContact OE1-NE 2.97Å; E99-R103 PolarHBondContact OE1-NE 3.45Å; E99-R103 IonicContact OE1-NH2 3.71Å; E99-R103 PolarHBondContact OE1-NH2 3.39Å; E99-F168 HydrophobicContact CB-CE2 4.26Å; E99-F168 HydrophobicContact CB-CZ 4.3Å; E99-F168 HydrophobicContact CG-CZ 4.26Å
100	P	87.3	Confident	82.3	Confident	76 Å²	76	48.5 Å²	48.5	49%	0.494	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-36.8	-176.8	-24.2	34.6	0	0	0	112.9	F96 R104	F96-P100 WeakPolarHBondContact O-CD 3.33Å; F96-P100 WeakPolarHBondContact O-CG 3.4Å; P100-R104 WeakPolarHBondContact O-CB 3.44Å; P100-R104 PolarHBondContact O-N 2.04Å
101	H	91.3	Very high	84	Confident	83 Å²	83	51.6 Å²	51.6	38%	0.384	25%	0.248	S	C	.	.	H	α-helix	trans	-75.8	-42.1	179.5	-65.5	-74	0	0	0	111.6	M97 L98 E99 R104 S105 A108 V112	M97-H101 PolarHBondContact O-CD2 2.77Å; M97-H101 VanDerWaalsContact O-CD2 3.3Å; L98-H101 PolarHBondContact O-N 2.76Å; E99-H101 VanDerWaalsContact C-N 3.27Å; E99-H101 PolarHBondContact O-N 2.98Å; H101-R104 PolarHBondContact O-N 2.84Å; H101-S105 PolarHBondContact O-N 2.93Å; H101-A108 HydrophobicContact CB-CB 4.13Å; H101-V112 HydrophobicContact CB-CG2 3.91Å
102	C	91.6	Very high	85.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-76.2	-24.6	-178.8	-62.4	0	0	0	0	114.3	I35 L98 E99 R104 C109 F168 M172	I35-C102 WeakPolarHBondContact CD1-O 2.88Å; L98-C102 WeakPolarHBondContact CD1-SG 3.16Å; L98-C102 WeakPolarHBondContact CG-SG 3.49Å; L98-C102 WeakPolarHBondContact O-CB 3.47Å; L98-C102 PolarHBondContact O-N 3.18Å; L98-C102 PolarHBondContact O-SG 3.49Å; L98-C102 VanDerWaalsContact O-SG 3.37Å; E99-C102 PolarHBondContact O-N 3.45Å; C102-R104 VanDerWaalsContact C-N 3.29Å; C102-C109 HydrophobicContact CB-CB 3.76Å; C102-C109 WeakPolarHBondContact CB-SG 3.24Å; C102-C109 WeakPolarHBondContact SG-CA 3.37Å; C102-C109 WeakPolarHBondContact SG-CB 3.36Å; C102-C109 CovalentContact SG-SG 2.03Å; C102-C109 PolarHBondContact SG-SG 3.32Å; C102-F168 HydrophobicContact CB-CB 3.91Å; C102-F168 HydrophobicContact CB-CD1 3.36Å; C102-F168 HydrophobicContact CB-CD2 3.56Å; C102-F168 HydrophobicContact CB-CE1 3.62Å; C102-F168 HydrophobicContact CB-CE2 3.82Å; C102-F168 HydrophobicContact CB-CG 3.33Å; C102-F168 HydrophobicContact CB-CZ 3.85Å; C102-M172 HydrophobicContact CB-CE 4.29Å; C102-M172 VanDerWaalsContact O-CE 3.25Å; C102-M172 WeakPolarHBondContact O-CE 3.03Å
103	R	87.8	Confident	86.9	Confident	67 Å²	67	45.3 Å²	45.3	25%	0.253	22%	0.215	S	C	.	.	H	α-helix	trans	-71	-26.3	167	-73.9	-172.7	-178.6	-87.1	1.9	112.4	L31 E99 F168	L31-R103 HydrophobicContact CD1-CB 4.06Å; L31-R103 HydrophobicContact CD1-CG 4.49Å; L31-R103 VanDerWaalsContact CD1-O 3.22Å; L31-R103 WeakPolarHBondContact CD1-O 3.28Å; L31-R103 HydrophobicContact CD2-CG 4.27Å; E99-R103 HydrophobicContact CG-CG 4.16Å; E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 WeakPolarHBondContact O-CG 2.85Å; E99-R103 PolarHBondContact O-N 3.46Å; E99-R103 IonicContact OE1-CZ 2.83Å; E99-R103 IonicContact OE1-NE 2.97Å; E99-R103 PolarHBondContact OE1-NE 3.45Å; E99-R103 IonicContact OE1-NH2 3.71Å; E99-R103 PolarHBondContact OE1-NH2 3.39Å; R103-F168 HydrophobicContact CG-CE1 4.01Å; R103-F168 HydrophobicContact CG-CZ 4.03Å
104	R	87.7	Confident	87.2	Confident	169 Å²	169	39.9 Å²	39.9	64%	0.638	19%	0.186	S	C	*	.	H	α-helix	trans	-86.7	-49.1	-176.2	-178.4	178.5	174.9	174.3	0.8	113.3	P100 H101 C102	P100-R104 WeakPolarHBondContact O-CB 3.44Å; P100-R104 PolarHBondContact O-N 2.04Å; H101-R104 PolarHBondContact O-N 2.84Å; C102-R104 VanDerWaalsContact C-N 3.29Å
105	S	91.7	Very high	87.1	Confident	8 Å²	8	40 Å²	40	6%	0.056	19%	0.188	C	C	.	.			trans	-156.8	140.8	-169.2	173.4	0	0	0	0	111.8	D38 H101 F107 A108 C109	D38-S105 WeakPolarHBondContact OD2-CB 3.31Å; D38-S105 PolarHBondContact OD2-OG 2.87Å; H101-S105 PolarHBondContact O-N 2.93Å; S105-F107 VanDerWaalsContact C-N 3.31Å; S105-F107 PolarHBondContact O-N 3.31Å; S105-F107 PolarHBondContact OG-N 3.35Å; S105-F107 VanDerWaalsContact OG-N 3.15Å; S105-A108 PolarHBondContact O-N 2.75Å; S105-A108 PolarHBondContact OG-N 2.93Å; S105-C109 WeakPolarHBondContact O-CB 3.43Å; S105-C109 PolarHBondContact O-N 2.98Å
106	F	93.5	Very high	86.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-44.8	169.1	168.5	-99.6	0	0	0	111.8	Y39 I54 T58 C109 V110 M169 M172 L177 L179 L180	Y39-F106 HydrophobicContact CD2-CB 4.12Å; Y39-F106 AromaticContact CD2-CD1 3.8Å; Y39-F106 HydrophobicContact CD2-CD1 3.8Å; Y39-F106 HydrophobicContact CD2-CG 4.12Å; Y39-F106 AromaticContact CE2-CD1 3.8Å; Y39-F106 HydrophobicContact CE2-CD1 3.8Å; Y39-F106 HydrophobicContact CE2-CE1 4.15Å; Y39-F106 HydrophobicContact CE2-CG 4.4Å; I54-F106 HydrophobicContact CG2-CE1 4.25Å; T58-F106 HydrophobicContact CG2-CZ 4.18Å; F106-C109 VanDerWaalsContact O-CB 3.3Å; F106-C109 WeakPolarHBondContact O-CB 3.45Å; F106-C109 PolarHBondContact O-N 3.46Å; F106-V110 HydrophobicContact CD2-CG2 4.22Å; F106-V110 HydrophobicContact CE1-CG2 4.09Å; F106-V110 HydrophobicContact CE2-CG2 3.71Å; F106-V110 HydrophobicContact CZ-CG2 3.63Å; F106-V110 WeakPolarHBondContact O-CG2 3.47Å; F106-V110 PolarHBondContact O-N 3.48Å; F106-M169 HydrophobicContact CE2-CE 4Å; F106-M172 HydrophobicContact CB-CE 4.42Å; F106-M172 HydrophobicContact CB-SD 4.25Å; F106-M172 HydrophobicContact CD2-CB 4.3Å; F106-M172 HydrophobicContact CD2-CG 4.35Å; F106-M172 HydrophobicContact CD2-SD 3.61Å; F106-M172 HydrophobicContact CE2-SD 4.49Å; F106-M172 HydrophobicContact CG-SD 4.41Å; F106-L177 HydrophobicContact CB-CD1 3.63Å; F106-L177 HydrophobicContact CD2-CD1 3.61Å; F106-L177 HydrophobicContact CE2-CD1 4.46Å; F106-L177 HydrophobicContact CG-CD1 3.68Å; F106-L179 HydrophobicContact CE1-CB 4.23Å; F106-L179 HydrophobicContact CE1-CD1 3.85Å; F106-L179 HydrophobicContact CZ-CB 4.34Å; F106-L180 HydrophobicContact CE2-CD1 4.01Å; F106-L180 HydrophobicContact CE2-CD2 4.04Å; F106-L180 HydrophobicContact CE2-CG 4.03Å; F106-L180 HydrophobicContact CZ-CD2 4.31Å; F106-L180 HydrophobicContact CZ-CG 4.36Å
107	F	92.3	Very high	85.7	Confident	25 Å²	25	34.5 Å²	34.5	11%	0.11	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-39.7	-176.4	-61.3	-68.3	0	0	0	112	Y39 T42 M46 I54 S105 C109 K111 L179	Y39-F107 AromaticContact CD2-CE2 3.82Å; Y39-F107 HydrophobicContact CD2-CE2 3.82Å; Y39-F107 AromaticContact CD2-CZ 3.77Å; Y39-F107 HydrophobicContact CD2-CZ 3.77Å; Y39-F107 HydrophobicContact CE2-CE1 4.42Å; Y39-F107 HydrophobicContact CE2-CE2 4.26Å; Y39-F107 AromaticContact CE2-CZ 3.73Å; Y39-F107 HydrophobicContact CE2-CZ 3.73Å; Y39-F107 HydrophobicContact CG-CE2 4.28Å; Y39-F107 HydrophobicContact CG-CZ 4.48Å; T42-F107 HydrophobicContact CG2-CD2 3.49Å; T42-F107 VanDerWaalsContact CG2-CD2 3.49Å; T42-F107 HydrophobicContact CG2-CE2 3.6Å; T42-F107 HydrophobicContact CG2-CG 4.21Å; T42-F107 HydrophobicContact CG2-CZ 4.39Å; M46-F107 HydrophobicContact CE-CE1 3.54Å; M46-F107 HydrophobicContact CE-CE2 4.14Å; M46-F107 HydrophobicContact CE-CZ 3.26Å; M46-F107 HydrophobicContact SD-CD1 4.48Å; M46-F107 HydrophobicContact SD-CE1 3.87Å; M46-F107 HydrophobicContact SD-CZ 4.07Å; I54-F107 HydrophobicContact CD1-CD1 3.64Å; I54-F107 HydrophobicContact CD1-CE1 3.78Å; I54-F107 HydrophobicContact CG1-CD1 4.34Å; I54-F107 HydrophobicContact CG2-CD1 4.02Å; I54-F107 HydrophobicContact CG2-CE1 4.02Å; S105-F107 VanDerWaalsContact C-N 3.31Å; S105-F107 PolarHBondContact O-N 3.31Å; S105-F107 PolarHBondContact OG-N 3.35Å; S105-F107 VanDerWaalsContact OG-N 3.15Å; F107-C109 VanDerWaalsContact C-N 3.32Å; F107-K111 WeakPolarHBondContact O-CB 3.39Å; F107-K111 PolarHBondContact O-N 3.19Å; F107-L179 HydrophobicContact CE1-CD1 3.45Å; F107-L179 VanDerWaalsContact CE1-CD1 3.45Å; F107-L179 HydrophobicContact CZ-CD1 3.87Å
108	A	91.3	Very high	84.9	Confident	24 Å²	24	35.2 Å²	35.2	20%	0.198	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42.6	173	0	0	0	0	0	111.1	H101 S105 K111 V112	H101-A108 HydrophobicContact CB-CB 4.13Å; S105-A108 PolarHBondContact O-N 2.75Å; S105-A108 PolarHBondContact OG-N 2.93Å; A108-K111 PolarHBondContact O-N 3.49Å; A108-V112 WeakPolarHBondContact O-CG2 3.48Å; A108-V112 PolarHBondContact O-N 2.54Å
109	C	92.4	Very high	83.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-56.8	176	-165.8	0	0	0	0	111.7	C102 S105 F106 F107 K111 V112 I113 M172	C102-C109 HydrophobicContact CB-CB 3.76Å; C102-C109 WeakPolarHBondContact CB-SG 3.24Å; C102-C109 WeakPolarHBondContact SG-CA 3.37Å; C102-C109 WeakPolarHBondContact SG-CB 3.36Å; C102-C109 CovalentContact SG-SG 2.03Å; C102-C109 PolarHBondContact SG-SG 3.32Å; S105-C109 WeakPolarHBondContact O-CB 3.43Å; S105-C109 PolarHBondContact O-N 2.98Å; F106-C109 VanDerWaalsContact O-CB 3.3Å; F106-C109 WeakPolarHBondContact O-CB 3.45Å; F106-C109 PolarHBondContact O-N 3.46Å; F107-C109 VanDerWaalsContact C-N 3.32Å; C109-K111 VanDerWaalsContact C-N 3.28Å; C109-K111 PolarHBondContact O-N 3.07Å; C109-V112 PolarHBondContact O-N 3.15Å; C109-I113 VanDerWaalsContact O-CG1 3.3Å; C109-I113 WeakPolarHBondContact O-CG1 3.45Å; C109-I113 PolarHBondContact O-N 2.98Å; C109-M172 HydrophobicContact CB-CE 3.85Å; C109-M172 HydrophobicContact CB-SD 4.31Å
110	V	90.7	Very high	81.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-41.5	-179.6	171.1	0	0	0	0	111.2	Q57 F106 V112 I113 N114 M169	Q57-V110 HydrophobicContact CB-CG1 3.81Å; F106-V110 HydrophobicContact CD2-CG2 4.22Å; F106-V110 HydrophobicContact CE1-CG2 4.09Å; F106-V110 HydrophobicContact CE2-CG2 3.71Å; F106-V110 HydrophobicContact CZ-CG2 3.63Å; F106-V110 WeakPolarHBondContact O-CG2 3.47Å; F106-V110 PolarHBondContact O-N 3.48Å; V110-V112 PolarHBondContact O-N 3.46Å; V110-I113 PolarHBondContact O-N 3.48Å; V110-N114 WeakPolarHBondContact O-CB 3.3Å; V110-N114 PolarHBondContact O-N 2.95Å; V110-M169 HydrophobicContact CG2-CE 4.03Å; V110-M169 HydrophobicContact CG2-SD 4.21Å
111	K	86.6	Confident	79.9	Confident	115 Å²	115	39 Å²	39	50%	0.5	18%	0.18	S	C	.	.	H	α-helix	trans	-61.7	-44.9	179.1	-173.7	179.5	-178.3	-175.4	0	112.2	F107 A108 C109 S115	F107-K111 WeakPolarHBondContact O-CB 3.39Å; F107-K111 PolarHBondContact O-N 3.19Å; A108-K111 PolarHBondContact O-N 3.49Å; C109-K111 VanDerWaalsContact C-N 3.28Å; C109-K111 PolarHBondContact O-N 3.07Å; K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-N 3.47Å; K111-S115 PolarHBondContact O-OG 3.08Å
112	V	86.1	Confident	77.4	Confident	11 Å²	11	41.2 Å²	41.2	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-49.7	178.5	172.4	0	0	0	0	110.2	L98 H101 A108 C109 V110 N114 S115 V116	L98-V112 HydrophobicContact CD1-CB 4.2Å; L98-V112 HydrophobicContact CD1-CG1 3.82Å; H101-V112 HydrophobicContact CB-CG2 3.91Å; A108-V112 WeakPolarHBondContact O-CG2 3.48Å; A108-V112 PolarHBondContact O-N 2.54Å; C109-V112 PolarHBondContact O-N 3.15Å; V110-V112 PolarHBondContact O-N 3.46Å; V112-N114 VanDerWaalsContact C-N 3.28Å; V112-N114 PolarHBondContact O-N 3.28Å; V112-S115 PolarHBondContact O-N 2.99Å; V112-V116 WeakPolarHBondContact O-CG2 3.1Å; V112-V116 PolarHBondContact O-N 2.77Å
113	I	85.3	Confident	75.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-46.8	178.3	-63.6	168.9	0	0	0	110.7	T61 L98 C109 V110 S115 V116 F117 A165 M169	T61-I113 HydrophobicContact CG2-CB 4.29Å; T61-I113 HydrophobicContact CG2-CD1 4.17Å; T61-I113 HydrophobicContact CG2-CG2 3.43Å; T61-I113 VanDerWaalsContact CG2-CG2 3.43Å; L98-I113 HydrophobicContact CD1-CD1 4.16Å; L98-I113 HydrophobicContact CD1-CG1 3.44Å; L98-I113 VanDerWaalsContact CD1-CG1 3.44Å; L98-I113 HydrophobicContact CD2-CD1 4.42Å; L98-I113 HydrophobicContact CD2-CG1 4.13Å; L98-I113 HydrophobicContact CG-CG1 4.45Å; C109-I113 VanDerWaalsContact O-CG1 3.3Å; C109-I113 WeakPolarHBondContact O-CG1 3.45Å; C109-I113 PolarHBondContact O-N 2.98Å; V110-I113 PolarHBondContact O-N 3.48Å; I113-S115 PolarHBondContact O-N 3.32Å; I113-V116 WeakPolarHBondContact O-CB 3.25Å; I113-V116 PolarHBondContact O-N 3.36Å; I113-F117 HydrophobicContact CB-CE2 4.48Å; I113-F117 HydrophobicContact CG2-CD2 4.24Å; I113-F117 HydrophobicContact CG2-CE1 4.36Å; I113-F117 HydrophobicContact CG2-CE2 3.23Å; I113-F117 HydrophobicContact CG2-CZ 3.28Å; I113-F117 VanDerWaalsContact O-CD2 3.28Å; I113-F117 WeakPolarHBondContact O-CD2 3.48Å; I113-F117 WeakPolarHBondContact O-CE2 3.3Å; I113-F117 PolarHBondContact O-N 3.04Å; I113-A165 HydrophobicContact CD1-CB 4.02Å; I113-A165 HydrophobicContact CG1-CB 4.23Å; I113-M169 HydrophobicContact CD1-CG 3.82Å; I113-M169 HydrophobicContact CD1-SD 3.92Å
114	N	78.8	Confident	72.8	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-36.9	178.2	-175.3	86.5	0	0	0	113.2	Q57 R60 V110 V112 V116 F117 D118	Q57-N114 HydrophobicContact CB-CB 4.2Å; Q57-N114 HydrophobicContact CG-CB 4.28Å; R60-N114 PolarHBondContact NE-OD1 3.36Å; R60-N114 VanDerWaalsContact NH2-CG 3.27Å; R60-N114 PolarHBondContact NH2-ND2 3.4Å; R60-N114 PolarHBondContact NH2-OD1 2.94Å; V110-N114 WeakPolarHBondContact O-CB 3.3Å; V110-N114 PolarHBondContact O-N 2.95Å; V112-N114 VanDerWaalsContact C-N 3.28Å; V112-N114 PolarHBondContact O-N 3.28Å; N114-V116 VanDerWaalsContact C-N 3.3Å; N114-V116 PolarHBondContact O-N 2.91Å; N114-F117 PolarHBondContact O-N 3.25Å; N114-D118 PolarHBondContact ND2-OD2 3.15Å; N114-D118 PolarHBondContact O-N 3.22Å
115	S	75.7	Confident	70.6	Confident	18 Å²	18	36 Å²	36	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-36.7	177.7	-56.3	0	0	0	0	111.3	K111 V112 I113 F117 D118 L119	K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-N 3.47Å; K111-S115 PolarHBondContact O-OG 3.08Å; V112-S115 PolarHBondContact O-N 2.99Å; I113-S115 PolarHBondContact O-N 3.32Å; S115-F117 VanDerWaalsContact C-N 3.26Å; S115-F117 PolarHBondContact O-N 2.8Å; S115-D118 PolarHBondContact O-N 3.15Å; S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 VanDerWaalsContact O-CG 3.27Å; S115-L119 WeakPolarHBondContact O-CG 3.36Å; S115-L119 PolarHBondContact O-N 3.39Å
116	V	70.9	Confident	68.4	Low	7 Å²	7	41.7 Å²	41.7	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-42.4	173	-172.9	0	0	0	0	110.6	V112 I113 N114 L119 S120 M149 F152 F161	V112-V116 WeakPolarHBondContact O-CG2 3.1Å; V112-V116 PolarHBondContact O-N 2.77Å; I113-V116 WeakPolarHBondContact O-CB 3.25Å; I113-V116 PolarHBondContact O-N 3.36Å; N114-V116 VanDerWaalsContact C-N 3.3Å; N114-V116 PolarHBondContact O-N 2.91Å; V116-L119 PolarHBondContact O-N 2.7Å; V116-S120 WeakPolarHBondContact O-CB 3.34Å; V116-S120 PolarHBondContact O-N 2.89Å; V116-M149 HydrophobicContact CB-CE 3.85Å; V116-M149 HydrophobicContact CB-SD 4.03Å; V116-M149 HydrophobicContact CG1-CE 3.87Å; V116-M149 HydrophobicContact CG2-CE 3.14Å; V116-M149 HydrophobicContact CG2-SD 3.43Å; V116-M149 WeakPolarHBondContact CG2-SD 3.43Å; V116-F152 HydrophobicContact CG1-CE2 4.08Å; V116-F152 HydrophobicContact CG1-CZ 3.77Å; V116-F161 HydrophobicContact CB-CE1 4.04Å; V116-F161 HydrophobicContact CB-CZ 3.85Å; V116-F161 HydrophobicContact CG1-CD1 4.24Å; V116-F161 HydrophobicContact CG1-CE1 3.79Å; V116-F161 HydrophobicContact CG1-CE2 4.49Å; V116-F161 HydrophobicContact CG1-CZ 3.96Å; V116-F161 HydrophobicContact CG2-CE1 3.86Å; V116-F161 HydrophobicContact CG2-CE2 3.56Å; V116-F161 HydrophobicContact CG2-CZ 3.16Å
117	F	66.8	Low	66.1	Low	17 Å²	17	44.3 Å²	44.3	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-70.6	-45.1	179.6	-55.8	-37.8	0	0	0	112.7	T61 F64 I113 N114 S115 L119 S120 Y121	T61-F117 HydrophobicContact CG2-CE2 4.34Å; F64-F117 HydrophobicContact CB-CD1 4.3Å; F64-F117 HydrophobicContact CB-CD2 4.41Å; F64-F117 HydrophobicContact CB-CE1 3.75Å; F64-F117 HydrophobicContact CB-CE2 3.79Å; F64-F117 HydrophobicContact CB-CZ 3.45Å; F64-F117 VanDerWaalsContact CB-CZ 3.45Å; F64-F117 HydrophobicContact CD1-CD1 4.32Å; F64-F117 AromaticContact CD1-CE1 3.17Å; F64-F117 HydrophobicContact CD1-CE1 3.17Å; F64-F117 HydrophobicContact CD1-CE2 4.2Å; F64-F117 AromaticContact CD1-CZ 3.08Å; F64-F117 HydrophobicContact CD1-CZ 3.08Å; F64-F117 AromaticContact CD2-CD1 3.58Å; F64-F117 HydrophobicContact CD2-CD1 3.58Å; F64-F117 AromaticContact CD2-CE1 3.18Å; F64-F117 HydrophobicContact CD2-CE1 3.18Å; F64-F117 AromaticContact CD2-CZ 3.82Å; F64-F117 HydrophobicContact CD2-CZ 3.82Å; F64-F117 AromaticContact CE1-CE1 3.41Å; F64-F117 HydrophobicContact CE1-CE1 3.41Å; F64-F117 VanDerWaalsContact CE1-CE1 3.41Å; F64-F117 AromaticContact CE1-CZ 3.7Å; F64-F117 HydrophobicContact CE1-CZ 3.7Å; F64-F117 AromaticContact CE2-CD1 3.89Å; F64-F117 HydrophobicContact CE2-CD1 3.89Å; F64-F117 AromaticContact CE2-CE1 3.41Å; F64-F117 HydrophobicContact CE2-CE1 3.41Å; F64-F117 VanDerWaalsContact CE2-CE1 3.41Å; F64-F117 HydrophobicContact CE2-CZ 4.33Å; F64-F117 AromaticContact CG-CD1 3.8Å; F64-F117 HydrophobicContact CG-CD1 3.8Å; F64-F117 AromaticContact CG-CE1 3.03Å; F64-F117 HydrophobicContact CG-CE1 3.03Å; F64-F117 AromaticContact CG-CE2 3.99Å; F64-F117 HydrophobicContact CG-CE2 3.99Å; F64-F117 AromaticContact CG-CZ 3.14Å; F64-F117 HydrophobicContact CG-CZ 3.14Å; F64-F117 HydrophobicContact CZ-CD1 4.39Å; F64-F117 AromaticContact CZ-CE1 3.53Å; F64-F117 HydrophobicContact CZ-CE1 3.53Å; F64-F117 HydrophobicContact CZ-CZ 4.28Å; I113-F117 HydrophobicContact CB-CE2 4.48Å; I113-F117 HydrophobicContact CG2-CD2 4.24Å; I113-F117 HydrophobicContact CG2-CE1 4.36Å; I113-F117 HydrophobicContact CG2-CE2 3.23Å; I113-F117 HydrophobicContact CG2-CZ 3.28Å; I113-F117 VanDerWaalsContact O-CD2 3.28Å; I113-F117 WeakPolarHBondContact O-CD2 3.48Å; I113-F117 WeakPolarHBondContact O-CE2 3.3Å; I113-F117 PolarHBondContact O-N 3.04Å; N114-F117 PolarHBondContact O-N 3.25Å; S115-F117 VanDerWaalsContact C-N 3.26Å; S115-F117 PolarHBondContact O-N 2.8Å; F117-L119 PolarHBondContact O-N 2.87Å; F117-S120 WeakPolarHBondContact CA-OG 3.36Å; F117-S120 PolarHBondContact O-N 2.92Å; F117-S120 VanDerWaalsContact O-N 3.13Å; F117-S120 PolarHBondContact O-OG 2.95Å; F117-Y121 PolarHBondContact O-N 3.07Å
118	D	63.5	Low	63.7	Low	65 Å²	65	48.8 Å²	48.8	35%	0.348	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-27.7	177.2	-69	-33.6	0	0	0	110.4	R60 N114 S115 Y121	R60-D118 IonicContact CZ-OD1 2.93Å; R60-D118 IonicContact NH1-OD1 3.21Å; R60-D118 PolarHBondContact NH1-OD1 2.87Å; R60-D118 IonicContact NH2-OD1 3.37Å; R60-D118 IonicContact NH2-OD2 3.61Å; N114-D118 PolarHBondContact ND2-OD2 3.15Å; N114-D118 PolarHBondContact O-N 3.22Å; S115-D118 PolarHBondContact O-N 3.15Å; D118-Y121 WeakPolarHBondContact O-CB 3.47Å
119	L	56.1	Low	61.2	Low	35 Å²	35	49.1 Å²	49.1	18%	0.183	25%	0.25	C	C	.	.	H	α-helix	trans	-83.8	-31.1	172.9	-71.1	172.3	0	0	0	114.5	S115 V116 F117 Y121 Y122 L147 M149	S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 VanDerWaalsContact O-CG 3.27Å; S115-L119 WeakPolarHBondContact O-CG 3.36Å; S115-L119 PolarHBondContact O-N 3.39Å; V116-L119 PolarHBondContact O-N 2.7Å; F117-L119 PolarHBondContact O-N 2.87Å; L119-Y121 PolarHBondContact O-N 3.3Å; L119-Y122 PolarHBondContact O-N 2.9Å; L119-L147 WeakPolarHBondContact CD1-O 3.33Å; L119-M149 HydrophobicContact CD1-CB 3.51Å; L119-M149 HydrophobicContact CD1-CG 3.71Å; L119-M149 HydrophobicContact CD1-SD 3.98Å
120	S	52.6	Low	58.7	Low	38 Å²	38	55.2 Å²	55.2	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-13.1	171.6	71.4	0	0	0	0	112	V116 F117 Y122 G123	V116-S120 WeakPolarHBondContact O-CB 3.34Å; V116-S120 PolarHBondContact O-N 2.89Å; F117-S120 WeakPolarHBondContact CA-OG 3.36Å; F117-S120 PolarHBondContact O-N 2.92Å; F117-S120 VanDerWaalsContact O-N 3.13Å; F117-S120 PolarHBondContact O-OG 2.95Å; S120-Y122 PolarHBondContact O-N 2.62Å; S120-G123 CarbonylContact O-C 3.39Å; S120-G123 PolarHBondContact O-N 2.74Å
121	Y	45.7	Very low	56.5	Low	132 Å²	132	62.9 Å²	62.9	52%	0.518	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.6	164.1	-173.7	-114.7	0	0	0	113.6	F117 D118 L119	F117-Y121 PolarHBondContact O-N 3.07Å; D118-Y121 WeakPolarHBondContact O-CB 3.47Å; L119-Y121 PolarHBondContact O-N 3.3Å
122	Y	39.4	Very low	54.6	Low	130 Å²	130	61.1 Å²	61.1	51%	0.51	31%	0.31	S	S	.	.	S	Bend	trans	-95.1	-10.7	175.2	-60.5	-77.7	0	0	0	113.2	L119 S120 L140	L119-Y122 PolarHBondContact O-N 2.9Å; S120-Y122 PolarHBondContact O-N 2.62Å; Y122-L140 HydrophobicContact CE1-CD1 4.34Å
123	G	41.8	Very low	52.8	Low	26 Å²	26	63.8 Å²	63.8	27%	0.268	32%	0.322	S	S	.	.	S	Bend	trans	-97.7	96.8	173	0	0	0	0	0	108.9	S120 P125	S120-G123 CarbonylContact O-C 3.39Å; S120-G123 PolarHBondContact O-N 2.74Å; G123-P125 VanDerWaalsContact O-N 3.17Å
124	N	41.1	Very low	51	Low	68 Å²	68	65.5 Å²	65.5	36%	0.364	33%	0.332	S	S	.	.			trans	-40.6	123.3	175.7	-177.5	-4.1	0	0	0	111	D126 I127	N124-D126 PolarHBondContact O-N 2.85Å; N124-D126 PolarHBondContact OD1-N 3.14Å; N124-D126 VanDerWaalsContact OD1-N 3.1Å; N124-I127 WeakPolarHBondContact O-CA 3.42Å; N124-I127 PolarHBondContact O-N 3.37Å
125	P	40.9	Very low	49.7	Very low	31 Å²	31	71.7 Å²	71.7	20%	0.201	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	10.6	-178.1	34.9	-39.9	0	0	0	115	G123 I127 H203 Y207	G123-P125 VanDerWaalsContact O-N 3.17Å; P125-I127 WeakPolarHBondContact O-CG1 3.39Å; P125-I127 PolarHBondContact O-N 2.77Å; P125-H203 WeakPolarHBondContact CB-CE1 3.21Å; P125-H203 WeakPolarHBondContact CG-ND1 3.38Å; P125-Y207 HydrophobicContact CB-CE2 4.3Å; P125-Y207 HydrophobicContact CG-CE2 4.44Å; P125-Y207 PolarHBondContact O-OH 3.47Å
126	D	46.1	Very low	48.5	Very low	128 Å²	128	76.8 Å²	76.8	68%	0.684	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	10.7	148.9	-64.5	-33.9	0	0	0	112.2	N124 F128	N124-D126 PolarHBondContact O-N 2.85Å; N124-D126 PolarHBondContact OD1-N 3.14Å; N124-D126 VanDerWaalsContact OD1-N 3.1Å; D126-F128 PolarHBondContact O-N 3.16Å
127	I	45.2	Very low	47.3	Very low	56 Å²	56	78.8 Å²	78.8	29%	0.287	39%	0.388	S	S	.	.	S	Bend	trans	74.7	12.9	155	-27.7	174	0	0	0	117.7	N124 P125 M155	N124-I127 WeakPolarHBondContact O-CA 3.42Å; N124-I127 PolarHBondContact O-N 3.37Å; P125-I127 WeakPolarHBondContact O-CG1 3.39Å; P125-I127 PolarHBondContact O-N 2.77Å; I127-M155 HydrophobicContact CB-SD 3.69Å; I127-M155 HydrophobicContact CD1-CE 3.91Å; I127-M155 HydrophobicContact CD1-SD 3.67Å; I127-M155 HydrophobicContact CG1-SD 4.26Å; I127-M155 HydrophobicContact CG2-SD 3.24Å; I127-M155 WeakPolarHBondContact CG2-SD 3.47Å
128	F	41.6	Very low	46.4	Very low	118 Å²	118	86.3 Å²	86.3	52%	0.518	42%	0.415	S	S	.	.	S	Bend	trans	-133.8	133.7	168.1	-54.6	-78.2	0	0	0	107.9	D126 E130 M155	D126-F128 PolarHBondContact O-N 3.16Å; F128-E130 VanDerWaalsContact C-N 3.31Å; F128-E130 PolarHBondContact O-N 2.76Å; F128-M155 HydrophobicContact CE1-CG 3.86Å; F128-M155 HydrophobicContact CE2-CG 4.47Å; F128-M155 HydrophobicContact CZ-CG 3.5Å; F128-M155 HydrophobicContact CZ-SD 4.47Å
129	A	38.1	Very low	46	Very low	32 Å²	32	86.7 Å²	86.7	26%	0.264	42%	0.424	S	S	.	.			trans	-65.3	105	163.6	0	0	0	0	0	105.7	E131 V134 P151	A129-E131 PolarHBondContact O-N 3.34Å; A129-V134 HydrophobicContact CB-CG2 3.29Å; A129-P151 HydrophobicContact CB-CB 4.29Å
130	E	39.2	Very low	45.6	Very low	127 Å²	127	88.9 Å²	88.9	59%	0.593	44%	0.435	S	S	*	.			trans	-51.7	141.2	160.9	-72.7	-175.6	165.8	0	0	107.3	F128 D132 Q133 V134	F128-E130 VanDerWaalsContact C-N 3.31Å; F128-E130 PolarHBondContact O-N 2.76Å; E130-D132 WeakPolarHBondContact CB-OD1 3.4Å; E130-D132 PolarHBondContact O-N 3.08Å; E130-Q133 PolarHBondContact O-N 3.19Å; E130-V134 PolarHBondContact O-N 3.25Å
131	E	44.4	Very low	45	Very low	163 Å²	163	90.2 Å²	90.2	76%	0.762	44%	0.441	S	S	*	.	H	α-helix	trans	-55.8	-28.9	-168.6	-164.9	172.6	-172.5	0	0	112.2	A129 V134 Q135	A129-E131 PolarHBondContact O-N 3.34Å; E131-V134 WeakPolarHBondContact O-CB 3.2Å; E131-V134 PolarHBondContact O-N 3.14Å; E131-Q135 PolarHBondContact O-N 2.68Å; E131-Q135 VanDerWaalsContact O-N 3.16Å
132	D	47.2	Very low	45.1	Very low	77 Å²	77	92 Å²	92	41%	0.412	45%	0.454	S	S	.	.	H	α-helix	trans	-67.6	-39	175.6	75.7	-40.7	0	0	0	113.3	E130 Q135 K136	E130-D132 WeakPolarHBondContact CB-OD1 3.4Å; E130-D132 PolarHBondContact O-N 3.08Å; D132-Q135 PolarHBondContact O-N 3.37Å; D132-K136 PolarHBondContact O-N 3.5Å
133	Q	48	Very low	45.4	Very low	67 Å²	67	90.9 Å²	90.9	31%	0.313	46%	0.456	S	S	.	.	H	α-helix	trans	-71.8	-34	176	-58.2	-54.2	-52	0	0	110.8	E130 Q135 K136 W137	E130-Q133 PolarHBondContact O-N 3.19Å; Q133-Q135 VanDerWaalsContact C-N 3.29Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q133-K136 PolarHBondContact O-N 3.15Å; Q133-W137 WeakPolarHBondContact O-CB 3.3Å; Q133-W137 PolarHBondContact O-N 3.03Å
134	V	47.8	Very low	45.4	Very low	36 Å²	36	98.9 Å²	98.9	22%	0.218	49%	0.486	C	S	.	.	H	α-helix	trans	-60.6	-40.4	171	-178.9	0	0	0	0	110.6	A129 E130 E131 W137 R138	A129-V134 HydrophobicContact CB-CG2 3.29Å; E130-V134 PolarHBondContact O-N 3.25Å; E131-V134 WeakPolarHBondContact O-CB 3.2Å; E131-V134 PolarHBondContact O-N 3.14Å; V134-W137 WeakPolarHBondContact O-CB 3.28Å; V134-W137 PolarHBondContact O-N 3.25Å; V134-R138 WeakPolarHBondContact O-CG 3.42Å; V134-R138 PolarHBondContact O-N 2.97Å
135	Q	50.8	Low	45.6	Very low	135 Å²	135	98.8 Å²	98.8	63%	0.631	49%	0.488	S	S	*	.	H	α-helix	trans	-68.6	-42.8	177.2	-70	-157.9	5.4	0	0	112.9	E131 D132 Q133 W137 R138 S139	E131-Q135 PolarHBondContact O-N 2.68Å; E131-Q135 VanDerWaalsContact O-N 3.16Å; D132-Q135 PolarHBondContact O-N 3.37Å; Q133-Q135 VanDerWaalsContact C-N 3.29Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q135-W137 PolarHBondContact O-N 3.46Å; Q135-R138 PolarHBondContact O-N 3.46Å; Q135-S139 PolarHBondContact O-N 3.48Å
136	K	50.8	Low	45.9	Very low	125 Å²	125	103.9 Å²	103.9	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-59.3	-37	170.5	-84.3	178.2	178.5	164.6	0	112.2	D132 Q133 S139 L140	D132-K136 PolarHBondContact O-N 3.5Å; Q133-K136 PolarHBondContact O-N 3.15Å; K136-S139 PolarHBondContact O-OG 2.78Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 3.35Å
137	W	46.3	Very low	46	Very low	49 Å²	49	100.5 Å²	100.5	19%	0.186	50%	0.502	C	S	.	.	H	α-helix	trans	-65.9	-48.9	174.6	-173	83.8	0	0	0	110.7	Q133 V134 Q135 S139 L140 V141 L148 M149	Q133-W137 WeakPolarHBondContact O-CB 3.3Å; Q133-W137 PolarHBondContact O-N 3.03Å; V134-W137 WeakPolarHBondContact O-CB 3.28Å; V134-W137 PolarHBondContact O-N 3.25Å; Q135-W137 PolarHBondContact O-N 3.46Å; W137-S139 PolarHBondContact O-N 2.92Å; W137-L140 WeakPolarHBondContact O-CA 3.43Å; W137-L140 WeakPolarHBondContact O-CB 3.23Å; W137-L140 PolarHBondContact O-N 3.23Å; W137-V141 HydrophobicContact CD2-CG2 4Å; W137-V141 HydrophobicContact CE3-CG2 3.6Å; W137-V141 HydrophobicContact CH2-CG2 3.76Å; W137-V141 HydrophobicContact CZ2-CG2 4.14Å; W137-V141 HydrophobicContact CZ3-CG2 3.48Å; W137-V141 VanDerWaalsContact CZ3-CG2 3.48Å; W137-V141 WeakPolarHBondContact O-CG2 3.3Å; W137-V141 PolarHBondContact O-N 3.39Å; W137-V141 VanDerWaalsContact O-N 3.12Å; W137-L148 HydrophobicContact CH2-CD2 4.09Å; W137-L148 HydrophobicContact CZ2-CD2 3.58Å; W137-L148 HydrophobicContact CZ2-CG 4.03Å; W137-M149 WeakPolarHBondContact CZ2-O 3.33Å
138	R	47.6	Very low	46.2	Very low	174 Å²	174	100.6 Å²	100.6	66%	0.657	50%	0.503	S	S	*	.	H	α-helix	trans	-55.1	-34.2	177.2	-75.2	178.7	-174.3	-147.3	4.7	113	V134 Q135 V141	V134-R138 WeakPolarHBondContact O-CG 3.42Å; V134-R138 PolarHBondContact O-N 2.97Å; Q135-R138 PolarHBondContact O-N 3.46Å; R138-V141 WeakPolarHBondContact O-CB 3.14Å; R138-V141 PolarHBondContact O-N 3.44Å
139	S	54.7	Low	46.9	Very low	74 Å²	74	96 Å²	96	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-74.1	-27.3	175.6	68.3	0	0	0	0	113.6	Q135 K136 W137 H142	Q135-S139 PolarHBondContact O-N 3.48Å; K136-S139 PolarHBondContact O-OG 2.78Å; W137-S139 PolarHBondContact O-N 2.92Å; S139-H142 PolarHBondContact O-CD2 3.07Å
140	L	47.7	Very low	48	Very low	81 Å²	81	98.7 Å²	98.7	42%	0.424	49%	0.489	S	S	.	.	H	α-helix	trans	-79.5	-15.4	173.2	-68.1	168.5	0	0	0	113.3	Y122 K136 W137 H142 I143	Y122-L140 HydrophobicContact CE1-CD1 4.34Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 3.35Å; W137-L140 WeakPolarHBondContact O-CA 3.43Å; W137-L140 WeakPolarHBondContact O-CB 3.23Å; W137-L140 PolarHBondContact O-N 3.23Å; L140-H142 PolarHBondContact O-N 2.88Å; L140-I143 HydrophobicContact CD2-CD1 4.46Å; L140-I143 WeakPolarHBondContact O-CB 3.46Å; L140-I143 WeakPolarHBondContact O-CG1 3.13Å; L140-I143 PolarHBondContact O-N 3.31Å
141	V	41.1	Very low	48.9	Very low	65 Å²	65	94.8 Å²	94.8	39%	0.394	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.1	178.7	176.5	0	0	0	0	113.2	W137 R138 I143 L148	W137-V141 HydrophobicContact CD2-CG2 4Å; W137-V141 HydrophobicContact CE3-CG2 3.6Å; W137-V141 HydrophobicContact CH2-CG2 3.76Å; W137-V141 HydrophobicContact CZ2-CG2 4.14Å; W137-V141 HydrophobicContact CZ3-CG2 3.48Å; W137-V141 VanDerWaalsContact CZ3-CG2 3.48Å; W137-V141 WeakPolarHBondContact O-CG2 3.3Å; W137-V141 PolarHBondContact O-N 3.39Å; W137-V141 VanDerWaalsContact O-N 3.12Å; R138-V141 WeakPolarHBondContact O-CB 3.14Å; R138-V141 PolarHBondContact O-N 3.44Å; V141-I143 PolarHBondContact O-N 3.47Å; V141-L148 HydrophobicContact CB-CD2 4.2Å; V141-L148 HydrophobicContact CG1-CD2 4.22Å; V141-L148 HydrophobicContact CG2-CD2 3.78Å
142	H	48.2	Very low	49.9	Very low	171 Å²	171	89.6 Å²	89.6	79%	0.792	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-7.1	167.3	-63.4	-54	0	0	0	113.7	S139 L140 H144	S139-H142 PolarHBondContact O-CD2 3.07Å; L140-H142 PolarHBondContact O-N 2.88Å; H142-H144 PolarHBondContact O-N 3.3Å
143	I	44.6	Very low	50.7	Low	105 Å²	105	91.5 Å²	91.5	54%	0.538	46%	0.46	S	S	.	.	S	Bend	trans	-88.2	104.2	174.7	-57.4	171.5	0	0	0	109.5	L140 V141 T145	L140-I143 HydrophobicContact CD2-CD1 4.46Å; L140-I143 WeakPolarHBondContact O-CB 3.46Å; L140-I143 WeakPolarHBondContact O-CG1 3.13Å; L140-I143 PolarHBondContact O-N 3.31Å; V141-I143 PolarHBondContact O-N 3.47Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 3.35Å
144	H	41.1	Very low	51.3	Low	195 Å²	195	91.9 Å²	91.9	90%	0.903	46%	0.464	S	S	*	.			trans	-56.6	90	172.9	-83.8	-72.4	0	0	0	111.9	H142	H142-H144 PolarHBondContact O-N 3.3Å
145	T	46.4	Very low	52.2	Low	66 Å²	66	91.9 Å²	91.9	41%	0.405	46%	0.462	S	S	.	.			trans	-122.1	115	161.3	-39.2	0	0	0	0	107.3	I143 L147 L148	I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 3.35Å; T145-L147 HydrophobicContact CG2-CB 4.31Å; T145-L147 PolarHBondContact O-N 2.92Å; T145-L148 WeakPolarHBondContact O-CB 3.27Å; T145-L148 PolarHBondContact O-N 3.33Å
146	P	46.7	Very low	53.2	Low	137 Å²	137	86.9 Å²	86.9	89%	0.89	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-3.5	178.3	21.5	-30.8	0	0	0	114.1
147	L	48.5	Very low	54.4	Low	57 Å²	57	82.1 Å²	82.1	30%	0.298	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	8	173.6	-74.9	145.8	0	0	0	113	L119 T145 M149	L119-L147 WeakPolarHBondContact CD1-O 3.33Å; T145-L147 HydrophobicContact CG2-CB 4.31Å; T145-L147 PolarHBondContact O-N 2.92Å; L147-M149 PolarHBondContact O-N 2.92Å; L147-M149 VanDerWaalsContact O-N 3.14Å
148	L	49.9	Very low	55.7	Low	58 Å²	58	81.1 Å²	81.1	30%	0.304	42%	0.415	S	S	.	.			trans	-66.2	112.3	177	-132.4	91.8	0	0	0	109.3	W137 V141 T145	W137-L148 HydrophobicContact CH2-CD2 4.09Å; W137-L148 HydrophobicContact CZ2-CD2 3.58Å; W137-L148 HydrophobicContact CZ2-CG 4.03Å; V141-L148 HydrophobicContact CB-CD2 4.2Å; V141-L148 HydrophobicContact CG1-CD2 4.22Å; V141-L148 HydrophobicContact CG2-CD2 3.78Å; T145-L148 WeakPolarHBondContact O-CB 3.27Å; T145-L148 PolarHBondContact O-N 3.33Å
149	M	56.1	Low	57	Low	23 Å²	23	73.2 Å²	73.2	11%	0.113	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-99.4	140.7	-179.5	-61.1	165.5	62.7	0	0	110.5	M97 V116 L119 W137 L147	M97-M149 HydrophobicContact CE-CB 4.29Å; M97-M149 HydrophobicContact CE-CE 3.25Å; M97-M149 HydrophobicContact CE-CG 4.04Å; M97-M149 HydrophobicContact CE-SD 4.37Å; V116-M149 HydrophobicContact CB-CE 3.85Å; V116-M149 HydrophobicContact CB-SD 4.03Å; V116-M149 HydrophobicContact CG1-CE 3.87Å; V116-M149 HydrophobicContact CG2-CE 3.14Å; V116-M149 HydrophobicContact CG2-SD 3.43Å; V116-M149 WeakPolarHBondContact CG2-SD 3.43Å; L119-M149 HydrophobicContact CD1-CB 3.51Å; L119-M149 HydrophobicContact CD1-CG 3.71Å; L119-M149 HydrophobicContact CD1-SD 3.98Å; W137-M149 WeakPolarHBondContact CZ2-O 3.33Å; L147-M149 PolarHBondContact O-N 2.92Å; L147-M149 VanDerWaalsContact O-N 3.14Å
150	K	60.6	Low	58.1	Low	88 Å²	88	73.9 Å²	73.9	38%	0.383	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61	149.7	167.8	62.5	163.3	-171.1	145.1	0	110.1	N153 E157	K150-N153 PolarHBondContact NZ-ND2 3.26Å; K150-N153 PolarHBondContact NZ-OD1 3.28Å; K150-E157 WeakPolarHBondContact CE-OE1 3.33Å; K150-E157 IonicContact NZ-OE1 2.74Å; K150-E157 PolarHBondContact NZ-OE1 3.18Å; K150-E157 IonicContact NZ-OE2 2.86Å; K150-E157 PolarHBondContact NZ-OE2 3.28Å
151	P	58.2	Low	59.7	Low	44 Å²	44	70 Å²	70	29%	0.286	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-53.9	153.5	164.8	-22.6	33	0	0	0	111.2	A129	A129-P151 HydrophobicContact CB-CB 4.29Å
152	F	66.6	Low	61.6	Low	54 Å²	54	67 Å²	67	24%	0.237	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62.1	137.2	169.5	-64	-65.5	0	0	0	109.7	V116 D154 E157 Y158 F161	V116-F152 HydrophobicContact CG1-CE2 4.08Å; V116-F152 HydrophobicContact CG1-CZ 3.77Å; F152-D154 VanDerWaalsContact C-N 3.34Å; F152-E157 HydrophobicContact CB-CB 4.49Å; F152-E157 HydrophobicContact CD1-CB 4.17Å; F152-E157 HydrophobicContact CD1-CG 3.84Å; F152-Y158 AromaticContact CD2-CD2 3.63Å; F152-Y158 HydrophobicContact CD2-CD2 3.63Å; F152-Y158 HydrophobicContact CD2-CG 4.38Å; F152-Y158 AromaticContact CE2-CD2 3.51Å; F152-Y158 HydrophobicContact CE2-CD2 3.51Å; F152-Y158 HydrophobicContact CE2-CE2 4.2Å; F152-Y158 HydrophobicContact CG-CD2 4.44Å; F152-Y158 HydrophobicContact CZ-CD2 4.21Å; F152-F161 HydrophobicContact CE1-CB 3.68Å; F152-F161 HydrophobicContact CE1-CD2 4.39Å; F152-F161 AromaticContact CE1-CG 3.93Å; F152-F161 HydrophobicContact CE1-CG 3.93Å; F152-F161 HydrophobicContact CZ-CB 3.87Å; F152-F161 AromaticContact CZ-CD1 3.92Å; F152-F161 HydrophobicContact CZ-CD1 3.92Å; F152-F161 HydrophobicContact CZ-CD2 4.39Å; F152-F161 AromaticContact CZ-CG 3.76Å; F152-F161 HydrophobicContact CZ-CG 3.76Å
153	N	62.5	Low	63.1	Low	117 Å²	117	58.9 Å²	58.9	63%	0.626	30%	0.3	S	S	*	.	S	Bend	trans	-68.5	-36.8	178.5	-66.9	-11.2	0	0	0	111.2	K150 E157	K150-N153 PolarHBondContact NZ-ND2 3.26Å; K150-N153 PolarHBondContact NZ-OD1 3.28Å; N153-E157 VanDerWaalsContact CB-OE2 3.24Å; N153-E157 WeakPolarHBondContact CB-OE2 3.45Å; N153-E157 VanDerWaalsContact CG-OE2 3.23Å; N153-E157 PolarHBondContact N-OE2 2.97Å
154	D	61.2	Low	64.9	Low	76 Å²	76	53.9 Å²	53.9	41%	0.406	28%	0.275	S	S	.	.	S	Bend	trans	-157.9	177.2	-177.9	59.4	39.1	0	0	0	111.9	F152 E156 E157 Y158	F152-D154 VanDerWaalsContact C-N 3.34Å; D154-E156 PolarHBondContact O-N 3.44Å; D154-E156 WeakPolarHBondContact OD1-CA 3.24Å; D154-E156 VanDerWaalsContact OD1-CB 3.3Å; D154-E156 WeakPolarHBondContact OD1-CB 3.3Å; D154-E156 PolarHBondContact OD1-N 2.95Å; D154-E157 PolarHBondContact O-N 3.37Å; D154-E157 PolarHBondContact OD1-N 3.31Å; D154-Y158 PolarHBondContact O-N 3.17Å
155	M	66.4	Low	67.1	Low	36 Å²	36	44.6 Å²	44.6	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-22.8	177.5	-79	-67.2	-64.2	0	0	113.6	T75 I127 F128 Y158 F159	T75-M155 HydrophobicContact CG2-CB 3.2Å; T75-M155 HydrophobicContact CG2-CG 4.32Å; I127-M155 HydrophobicContact CB-SD 3.69Å; I127-M155 HydrophobicContact CD1-CE 3.91Å; I127-M155 HydrophobicContact CD1-SD 3.67Å; I127-M155 HydrophobicContact CG1-SD 4.26Å; I127-M155 HydrophobicContact CG2-SD 3.24Å; I127-M155 WeakPolarHBondContact CG2-SD 3.47Å; F128-M155 HydrophobicContact CE1-CG 3.86Å; F128-M155 HydrophobicContact CE2-CG 4.47Å; F128-M155 HydrophobicContact CZ-CG 3.5Å; F128-M155 HydrophobicContact CZ-SD 4.47Å; M155-Y158 HydrophobicContact CE-CD1 4.4Å; M155-Y158 HydrophobicContact SD-CD1 4.47Å; M155-F159 WeakPolarHBondContact O-CB 3.36Å; M155-F159 PolarHBondContact O-N 3.45Å
156	E	73	Confident	68.9	Low	29 Å²	29	41.4 Å²	41.4	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-73.8	-41.2	177.2	176.1	71.3	-171.8	0	0	110.4	T75 R76 D154 F159 R160	T75-E156 PolarHBondContact OG1-OE2 3.34Å; T75-E156 VanDerWaalsContact OG1-OE2 3.13Å; R76-E156 IonicContact NH1-OE1 2.77Å; R76-E156 PolarHBondContact NH1-OE1 2.94Å; D154-E156 PolarHBondContact O-N 3.44Å; D154-E156 WeakPolarHBondContact OD1-CA 3.24Å; D154-E156 VanDerWaalsContact OD1-CB 3.3Å; D154-E156 WeakPolarHBondContact OD1-CB 3.3Å; D154-E156 PolarHBondContact OD1-N 2.95Å; E156-F159 PolarHBondContact O-N 2.03Å; E156-R160 WeakPolarHBondContact O-CB 3.15Å; E156-R160 VanDerWaalsContact O-CG 3.26Å; E156-R160 WeakPolarHBondContact O-CG 3.41Å; E156-R160 PolarHBondContact O-N 2.93Å; E156-R160 IonicContact OE1-CZ 3.56Å; E156-R160 VanDerWaalsContact OE1-CZ 3.28Å; E156-R160 IonicContact OE1-NE 2.68Å; E156-R160 PolarHBondContact OE1-NE 3.12Å; E156-R160 IonicContact OE1-NH2 3.86Å; E156-R160 PolarHBondContact OE1-NH2 3.36Å
157	E	74.1	Confident	70.7	Confident	25 Å²	25	35.1 Å²	35.1	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-44.7	173.5	-163	179.8	-171.2	0	0	110.6	K150 F152 N153 D154 F159 R160 F161	K150-E157 WeakPolarHBondContact CE-OE1 3.33Å; K150-E157 IonicContact NZ-OE1 2.74Å; K150-E157 PolarHBondContact NZ-OE1 3.18Å; K150-E157 IonicContact NZ-OE2 2.86Å; K150-E157 PolarHBondContact NZ-OE2 3.28Å; F152-E157 HydrophobicContact CB-CB 4.49Å; F152-E157 HydrophobicContact CD1-CB 4.17Å; F152-E157 HydrophobicContact CD1-CG 3.84Å; N153-E157 VanDerWaalsContact CB-OE2 3.24Å; N153-E157 WeakPolarHBondContact CB-OE2 3.45Å; N153-E157 VanDerWaalsContact CG-OE2 3.23Å; N153-E157 PolarHBondContact N-OE2 2.97Å; D154-E157 PolarHBondContact O-N 3.37Å; D154-E157 PolarHBondContact OD1-N 3.31Å; E157-F159 PolarHBondContact O-N 3.48Å; E157-R160 PolarHBondContact O-N 3.41Å; E157-F161 WeakPolarHBondContact O-CB 2.95Å; E157-F161 PolarHBondContact O-N 3.02Å
158	Y	73.8	Confident	72.6	Confident	28 Å²	28	32.4 Å²	32.4	11%	0.11	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-46.9	174.3	178.4	-105.8	0	0	0	112	F64 F68 F152 D154 M155 F161 G162	F64-Y158 HydrophobicContact CE2-CE2 4.17Å; F64-Y158 VanDerWaalsContact CE2-OH 3.25Å; F64-Y158 WeakPolarHBondContact CE2-OH 3.33Å; F64-Y158 AromaticContact CZ-CE2 3.99Å; F64-Y158 HydrophobicContact CZ-CE2 3.99Å; F64-Y158 AromaticContact CZ-CZ 3.93Å; F64-Y158 WeakPolarHBondContact CZ-OH 3.08Å; F68-Y158 HydrophobicContact CD2-CD1 4.26Å; F68-Y158 AromaticContact CD2-CE1 3.55Å; F68-Y158 HydrophobicContact CD2-CE1 3.55Å; F68-Y158 AromaticContact CD2-CZ 3.99Å; F68-Y158 AromaticContact CE2-CD1 3.92Å; F68-Y158 HydrophobicContact CE2-CD1 3.92Å; F68-Y158 AromaticContact CE2-CE1 3.68Å; F68-Y158 HydrophobicContact CE2-CE1 3.68Å; F152-Y158 AromaticContact CD2-CD2 3.63Å; F152-Y158 HydrophobicContact CD2-CD2 3.63Å; F152-Y158 HydrophobicContact CD2-CG 4.38Å; F152-Y158 AromaticContact CE2-CD2 3.51Å; F152-Y158 HydrophobicContact CE2-CD2 3.51Å; F152-Y158 HydrophobicContact CE2-CE2 4.2Å; F152-Y158 HydrophobicContact CG-CD2 4.44Å; F152-Y158 HydrophobicContact CZ-CD2 4.21Å; D154-Y158 PolarHBondContact O-N 3.17Å; M155-Y158 HydrophobicContact CE-CD1 4.4Å; M155-Y158 HydrophobicContact SD-CD1 4.47Å; Y158-F161 PolarHBondContact O-N 3.03Å; Y158-G162 PolarHBondContact O-N 2.96Å
159	F	75.5	Confident	74.5	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.035	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-47.9	177.3	176.1	-83.3	0	0	0	111.8	F68 D74 I81 P87 M155 E156 E157 F161 G162 M163	F68-F159 HydrophobicContact CZ-CB 4.44Å; F68-F159 HydrophobicContact CZ-CD2 4.11Å; F68-F159 HydrophobicContact CZ-CG 4.32Å; D74-F159 HydrophobicContact CB-CE2 4.34Å; I81-F159 HydrophobicContact CD1-CD2 3.69Å; I81-F159 HydrophobicContact CD1-CE2 3.16Å; I81-F159 HydrophobicContact CD1-CZ 4.13Å; I81-F159 HydrophobicContact CG1-CE2 3.66Å; I81-F159 HydrophobicContact CG1-CZ 4.46Å; P87-F159 HydrophobicContact CB-CE1 4.36Å; P87-F159 HydrophobicContact CB-CE2 4.22Å; P87-F159 HydrophobicContact CB-CZ 3.47Å; P87-F159 VanDerWaalsContact CB-CZ 3.47Å; P87-F159 HydrophobicContact CG-CE1 3.82Å; P87-F159 HydrophobicContact CG-CE2 3.85Å; P87-F159 HydrophobicContact CG-CZ 3.12Å; M155-F159 WeakPolarHBondContact O-CB 3.36Å; M155-F159 PolarHBondContact O-N 3.45Å; E156-F159 PolarHBondContact O-N 2.03Å; E157-F159 PolarHBondContact O-N 3.48Å; F159-F161 VanDerWaalsContact C-N 3.31Å; F159-F161 PolarHBondContact O-N 3.5Å; F159-G162 PolarHBondContact O-N 3.43Å; F159-M163 HydrophobicContact CD1-CG 4.06Å; F159-M163 HydrophobicContact CE1-CG 3.96Å; F159-M163 HydrophobicContact CG-CG 4.49Å; F159-M163 HydrophobicContact CZ-CG 4.37Å; F159-M163 VanDerWaalsContact O-CB 3.24Å; F159-M163 WeakPolarHBondContact O-CB 3.41Å; F159-M163 WeakPolarHBondContact O-CG 3.48Å; F159-M163 PolarHBondContact O-N 3.09Å
160	R	78.2	Confident	76.1	Confident	89 Å²	89	28.5 Å²	28.5	34%	0.336	14%	0.137	S	C	.	.	H	α-helix	trans	-60.4	-41.4	177.6	-75.2	173.7	-175.1	-111.3	-1.3	111.7	E156 E157 T164	E156-R160 WeakPolarHBondContact O-CB 3.15Å; E156-R160 VanDerWaalsContact O-CG 3.26Å; E156-R160 WeakPolarHBondContact O-CG 3.41Å; E156-R160 PolarHBondContact O-N 2.93Å; E156-R160 IonicContact OE1-CZ 3.56Å; E156-R160 VanDerWaalsContact OE1-CZ 3.28Å; E156-R160 IonicContact OE1-NE 2.68Å; E156-R160 PolarHBondContact OE1-NE 3.12Å; E156-R160 IonicContact OE1-NH2 3.86Å; E156-R160 PolarHBondContact OE1-NH2 3.36Å; E157-R160 PolarHBondContact O-N 3.41Å; R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 2.83Å; R160-T164 PolarHBondContact O-OG1 2.89Å
161	F	80.8	Confident	77.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-54.7	175.8	179.9	-89.9	0	0	0	111.7	H95 L98 V116 F152 E157 Y158 F159 M163 T164 A165	H95-F161 AromaticContact CG-CD2 3.97Å; H95-F161 AromaticContact ND1-CD2 3.88Å; L98-F161 HydrophobicContact CB-CE2 4.16Å; L98-F161 HydrophobicContact CD1-CE2 4.31Å; L98-F161 HydrophobicContact CD1-CZ 4.48Å; L98-F161 HydrophobicContact CD2-CE2 4.13Å; L98-F161 HydrophobicContact CD2-CZ 4.3Å; L98-F161 HydrophobicContact CG-CE2 4.44Å; V116-F161 HydrophobicContact CB-CE1 4.04Å; V116-F161 HydrophobicContact CB-CZ 3.85Å; V116-F161 HydrophobicContact CG1-CD1 4.24Å; V116-F161 HydrophobicContact CG1-CE1 3.79Å; V116-F161 HydrophobicContact CG1-CE2 4.49Å; V116-F161 HydrophobicContact CG1-CZ 3.96Å; V116-F161 HydrophobicContact CG2-CE1 3.86Å; V116-F161 HydrophobicContact CG2-CE2 3.56Å; V116-F161 HydrophobicContact CG2-CZ 3.16Å; F152-F161 HydrophobicContact CE1-CB 3.68Å; F152-F161 HydrophobicContact CE1-CD2 4.39Å; F152-F161 AromaticContact CE1-CG 3.93Å; F152-F161 HydrophobicContact CE1-CG 3.93Å; F152-F161 HydrophobicContact CZ-CB 3.87Å; F152-F161 AromaticContact CZ-CD1 3.92Å; F152-F161 HydrophobicContact CZ-CD1 3.92Å; F152-F161 HydrophobicContact CZ-CD2 4.39Å; F152-F161 AromaticContact CZ-CG 3.76Å; F152-F161 HydrophobicContact CZ-CG 3.76Å; E157-F161 WeakPolarHBondContact O-CB 2.95Å; E157-F161 PolarHBondContact O-N 3.02Å; Y158-F161 PolarHBondContact O-N 3.03Å; F159-F161 VanDerWaalsContact C-N 3.31Å; F159-F161 PolarHBondContact O-N 3.5Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.45Å; F161-T164 PolarHBondContact O-N 2.98Å; F161-A165 PolarHBondContact O-N 3.35Å
162	G	80.3	Confident	78.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-39.4	-178.6	0	0	0	0	0	112.4	Y158 F159 S166	Y158-G162 PolarHBondContact O-N 2.96Å; F159-G162 PolarHBondContact O-N 3.43Å; G162-S166 PolarHBondContact O-N 3.06Å
163	M	80.2	Confident	80	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-49	174.1	-77.1	-58.4	-49.3	0	0	113	F68 F86 P87 L91 F159 F161 A165 S166 Y167	F68-M163 HydrophobicContact CE1-CG 4.08Å; F68-M163 HydrophobicContact CE1-SD 4.04Å; F68-M163 HydrophobicContact CZ-CG 4.25Å; F86-M163 HydrophobicContact CB-CE 3.91Å; F86-M163 HydrophobicContact CD1-CE 3.25Å; F86-M163 HydrophobicContact CD1-SD 3.56Å; F86-M163 VanDerWaalsContact CD1-SD 3.56Å; F86-M163 HydrophobicContact CE1-CE 3.81Å; F86-M163 HydrophobicContact CE1-SD 3.81Å; F86-M163 HydrophobicContact CG-CE 3.68Å; P87-M163 VanDerWaalsContact CD-SD 3.52Å; P87-M163 HydrophobicContact CG-CE 3.99Å; P87-M163 HydrophobicContact CG-CG 4.18Å; P87-M163 HydrophobicContact CG-SD 3.66Å; L91-M163 HydrophobicContact CD1-CB 3.71Å; L91-M163 HydrophobicContact CD1-CE 4.1Å; L91-M163 HydrophobicContact CD1-CG 4.46Å; L91-M163 HydrophobicContact CD2-CB 4.26Å; F159-M163 HydrophobicContact CD1-CG 4.06Å; F159-M163 HydrophobicContact CE1-CG 3.96Å; F159-M163 HydrophobicContact CG-CG 4.49Å; F159-M163 HydrophobicContact CZ-CG 4.37Å; F159-M163 VanDerWaalsContact O-CB 3.24Å; F159-M163 WeakPolarHBondContact O-CB 3.41Å; F159-M163 WeakPolarHBondContact O-CG 3.48Å; F159-M163 PolarHBondContact O-N 3.09Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.45Å; M163-A165 VanDerWaalsContact C-N 3.27Å; M163-A165 PolarHBondContact O-N 3.15Å; M163-S166 WeakPolarHBondContact O-CB 3.34Å; M163-S166 PolarHBondContact O-N 2.76Å; M163-S166 VanDerWaalsContact O-N 3.12Å; M163-Y167 HydrophobicContact CE-CD2 3.97Å; M163-Y167 HydrophobicContact CE-CE2 3.38Å; M163-Y167 VanDerWaalsContact O-CD2 3.25Å; M163-Y167 WeakPolarHBondContact O-CD2 3.07Å; M163-Y167 PolarHBondContact O-N 3.26Å
164	T	82.7	Confident	81.1	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.9	-44.1	177.3	-57.3	0	0	0	0	110.7	L91 L94 H95 L98 R160 F161 S166 Y167 F168	L91-T164 WeakPolarHBondContact CD2-OG1 3.02Å; L94-T164 HydrophobicContact CB-CG2 3.87Å; L94-T164 HydrophobicContact CD2-CG2 3.93Å; L94-T164 HydrophobicContact CG-CG2 4.44Å; H95-T164 HydrophobicContact CB-CG2 4.08Å; H95-T164 WeakPolarHBondContact CB-OG1 3.31Å; H95-T164 PolarHBondContact N-OG1 2.93Å; L98-T164 HydrophobicContact CB-CG2 4.1Å; L98-T164 HydrophobicContact CD2-CG2 3.85Å; L98-T164 HydrophobicContact CG-CG2 4.27Å; R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 2.83Å; R160-T164 PolarHBondContact O-OG1 2.89Å; F161-T164 PolarHBondContact O-N 2.98Å; T164-S166 PolarHBondContact O-N 2.87Å; T164-Y167 PolarHBondContact O-N 3.44Å; T164-F168 HydrophobicContact CG2-CD2 3.79Å; T164-F168 HydrophobicContact CG2-CE2 3.69Å; T164-F168 WeakPolarHBondContact O-CD2 3.24Å; T164-F168 PolarHBondContact O-N 3.42Å; T164-F168 VanDerWaalsContact O-N 3.11Å
165	A	87.1	Confident	82.4	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.1	-44.1	176.5	0	0	0	0	0	112	L98 I113 F161 M163 Y167 F168 M169	L98-A165 VanDerWaalsContact CD2-CA 3.42Å; L98-A165 HydrophobicContact CD2-CB 3.65Å; I113-A165 HydrophobicContact CD1-CB 4.02Å; I113-A165 HydrophobicContact CG1-CB 4.23Å; F161-A165 PolarHBondContact O-N 3.35Å; M163-A165 VanDerWaalsContact C-N 3.27Å; M163-A165 PolarHBondContact O-N 3.15Å; A165-Y167 PolarHBondContact O-N 3.32Å; A165-F168 PolarHBondContact O-N 2.92Å; A165-M169 WeakPolarHBondContact O-CB 3.35Å; A165-M169 VanDerWaalsContact O-CG 3.24Å; A165-M169 WeakPolarHBondContact O-CG 3Å; A165-M169 PolarHBondContact O-N 3.35Å
166	S	85.2	Confident	83.5	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.5	-42.1	177.6	-157.4	0	0	0	0	112.5	V65 K69 F86 G162 M163 T164 C170 F236	V65-S166 VanDerWaalsContact CG1-OG 3.24Å; V65-S166 WeakPolarHBondContact CG1-OG 3.04Å; K69-S166 WeakPolarHBondContact CE-OG 3.45Å; F86-S166 WeakPolarHBondContact CZ-OG 3.25Å; G162-S166 PolarHBondContact O-N 3.06Å; M163-S166 WeakPolarHBondContact O-CB 3.34Å; M163-S166 PolarHBondContact O-N 2.76Å; M163-S166 VanDerWaalsContact O-N 3.12Å; T164-S166 PolarHBondContact O-N 2.87Å; S166-C170 WeakPolarHBondContact O-CB 3.46Å; S166-C170 PolarHBondContact O-N 3.48Å; S166-F236 PolarHBondContact OG-O 3.23Å
167	Y	83.7	Confident	84.4	Confident	4 Å²	4	9 Å²	9	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-62.4	-51.7	177.9	-86.8	-73.4	0	0	0	112.2	L91 M163 T164 A165 C170 W171 L281 I282 L286	L91-Y167 HydrophobicContact CD1-CD2 3.93Å; L91-Y167 HydrophobicContact CD1-CE2 3.57Å; M163-Y167 HydrophobicContact CE-CD2 3.97Å; M163-Y167 HydrophobicContact CE-CE2 3.38Å; M163-Y167 VanDerWaalsContact O-CD2 3.25Å; M163-Y167 WeakPolarHBondContact O-CD2 3.07Å; M163-Y167 PolarHBondContact O-N 3.26Å; T164-Y167 PolarHBondContact O-N 3.44Å; A165-Y167 PolarHBondContact O-N 3.32Å; Y167-C170 PolarHBondContact O-N 3.46Å; Y167-W171 WeakPolarHBondContact O-CB 3.3Å; Y167-W171 PolarHBondContact O-N 3.5Å; Y167-L281 HydrophobicContact CD1-CD2 3.61Å; Y167-L281 HydrophobicContact CE1-CD2 4.27Å; Y167-I282 HydrophobicContact CD1-CG1 4.01Å; Y167-I282 HydrophobicContact CE1-CG1 4.36Å; Y167-I282 HydrophobicContact CG-CG1 4.41Å; Y167-L286 HydrophobicContact CD1-CD1 3.44Å; Y167-L286 VanDerWaalsContact CD1-CD1 3.44Å; Y167-L286 HydrophobicContact CD1-CG 4.37Å; Y167-L286 HydrophobicContact CE1-CD1 3.2Å; Y167-L286 HydrophobicContact CE1-CG 4.01Å; Y167-L286 HydrophobicContact CG-CD1 4.48Å
168	F	88.4	Confident	85.1	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.9	-45.7	179.9	-82.8	-69.6	0	0	0	112.3	L94 E99 C102 R103 T164 A165 C170 W171 M172 F278	L94-F168 HydrophobicContact CD1-CE2 3.97Å; L94-F168 HydrophobicContact CD1-CZ 3.89Å; E99-F168 HydrophobicContact CB-CE2 4.26Å; E99-F168 HydrophobicContact CB-CZ 4.3Å; E99-F168 HydrophobicContact CG-CZ 4.26Å; C102-F168 HydrophobicContact CB-CB 3.91Å; C102-F168 HydrophobicContact CB-CD1 3.36Å; C102-F168 HydrophobicContact CB-CD2 3.56Å; C102-F168 HydrophobicContact CB-CE1 3.62Å; C102-F168 HydrophobicContact CB-CE2 3.82Å; C102-F168 HydrophobicContact CB-CG 3.33Å; C102-F168 HydrophobicContact CB-CZ 3.85Å; R103-F168 HydrophobicContact CG-CE1 4.01Å; R103-F168 HydrophobicContact CG-CZ 4.03Å; T164-F168 HydrophobicContact CG2-CD2 3.79Å; T164-F168 HydrophobicContact CG2-CE2 3.69Å; T164-F168 WeakPolarHBondContact O-CD2 3.24Å; T164-F168 PolarHBondContact O-N 3.42Å; T164-F168 VanDerWaalsContact O-N 3.11Å; A165-F168 PolarHBondContact O-N 2.92Å; F168-C170 VanDerWaalsContact C-N 3.32Å; F168-C170 PolarHBondContact O-N 2.93Å; F168-W171 HydrophobicContact CD1-CE3 4.17Å; F168-W171 HydrophobicContact CD1-CZ3 4.45Å; F168-W171 PolarHBondContact O-N 2.7Å; F168-M172 WeakPolarHBondContact O-CB 3.45Å; F168-M172 VanDerWaalsContact O-CG 3.3Å; F168-M172 WeakPolarHBondContact O-CG 3.43Å; F168-M172 PolarHBondContact O-N 2.98Å; F168-F278 HydrophobicContact CD1-CD2 4.4Å; F168-F278 HydrophobicContact CD1-CE1 4Å; F168-F278 AromaticContact CD1-CE2 3.68Å; F168-F278 HydrophobicContact CD1-CE2 3.68Å; F168-F278 AromaticContact CD1-CZ 3.43Å; F168-F278 HydrophobicContact CD1-CZ 3.43Å; F168-F278 VanDerWaalsContact CD1-CZ 3.43Å; F168-F278 AromaticContact CD2-CZ 3.93Å; F168-F278 HydrophobicContact CD2-CZ 3.93Å; F168-F278 HydrophobicContact CE1-CD1 4.08Å; F168-F278 AromaticContact CE1-CE1 3.34Å; F168-F278 HydrophobicContact CE1-CE1 3.34Å; F168-F278 AromaticContact CE1-CE2 3.91Å; F168-F278 HydrophobicContact CE1-CE2 3.91Å; F168-F278 AromaticContact CE1-CZ 3.24Å; F168-F278 HydrophobicContact CE1-CZ 3.24Å; F168-F278 HydrophobicContact CE2-CE1 4.17Å; F168-F278 AromaticContact CE2-CZ 3.75Å; F168-F278 HydrophobicContact CE2-CZ 3.75Å; F168-F278 HydrophobicContact CG-CE2 4.05Å; F168-F278 AromaticContact CG-CZ 3.78Å; F168-F278 HydrophobicContact CG-CZ 3.78Å; F168-F278 HydrophobicContact CZ-CD1 4.49Å; F168-F278 AromaticContact CZ-CE1 3.43Å; F168-F278 HydrophobicContact CZ-CE1 3.43Å; F168-F278 VanDerWaalsContact CZ-CE1 3.43Å; F168-F278 HydrophobicContact CZ-CE2 4.44Å; F168-F278 AromaticContact CZ-CZ 3.4Å; F168-F278 HydrophobicContact CZ-CZ 3.4Å; F168-F278 VanDerWaalsContact CZ-CZ 3.4Å
169	M	90.7	Very high	85.7	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.4	-33.4	-179.2	-65.8	-59	-63.9	0	0	112.1	T58 T61 F106 V110 I113 A165 M172 T173 L180 F236	T58-M169 HydrophobicContact CG2-CE 3.92Å; T61-M169 HydrophobicContact CG2-CE 4.39Å; T61-M169 HydrophobicContact CG2-CG 4.21Å; F106-M169 HydrophobicContact CE2-CE 4Å; V110-M169 HydrophobicContact CG2-CE 4.03Å; V110-M169 HydrophobicContact CG2-SD 4.21Å; I113-M169 HydrophobicContact CD1-CG 3.82Å; I113-M169 HydrophobicContact CD1-SD 3.92Å; A165-M169 WeakPolarHBondContact O-CB 3.35Å; A165-M169 VanDerWaalsContact O-CG 3.24Å; A165-M169 WeakPolarHBondContact O-CG 3Å; A165-M169 PolarHBondContact O-N 3.35Å; M169-M172 HydrophobicContact SD-SD 4.19Å; M169-T173 PolarHBondContact O-N 2.77Å; M169-T173 PolarHBondContact O-OG1 2.78Å; M169-L180 HydrophobicContact CE-CD2 4.08Å; M169-F236 HydrophobicContact CB-CB 3.8Å; M169-F236 HydrophobicContact CB-CD1 3.41Å; M169-F236 VanDerWaalsContact CB-CD1 3.41Å; M169-F236 HydrophobicContact CB-CD2 3.89Å; M169-F236 HydrophobicContact CB-CE1 3.84Å; M169-F236 HydrophobicContact CB-CE2 4.28Å; M169-F236 HydrophobicContact CB-CG 3.43Å; M169-F236 VanDerWaalsContact CB-CG 3.43Å; M169-F236 HydrophobicContact CB-CZ 4.26Å; M169-F236 HydrophobicContact CE-CE1 4.16Å; M169-F236 HydrophobicContact CE-CE2 3.88Å; M169-F236 HydrophobicContact CE-CZ 3.66Å; M169-F236 HydrophobicContact CG-CD1 4.13Å; M169-F236 HydrophobicContact CG-CE1 4.13Å
170	C	88.6	Confident	86.4	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.4	-50.8	171.7	178.4	0	0	0	0	110.1	S166 Y167 F168 M172 T173 L174 F236 C237	S166-C170 WeakPolarHBondContact O-CB 3.46Å; S166-C170 PolarHBondContact O-N 3.48Å; Y167-C170 PolarHBondContact O-N 3.46Å; F168-C170 VanDerWaalsContact C-N 3.32Å; F168-C170 PolarHBondContact O-N 2.93Å; C170-M172 VanDerWaalsContact C-N 3.34Å; C170-M172 PolarHBondContact O-N 2.95Å; C170-T173 CarbonylContact O-C 3.53Å; C170-T173 WeakPolarHBondContact O-CA 3.22Å; C170-T173 WeakPolarHBondContact O-CB 3.33Å; C170-T173 PolarHBondContact O-N 3.46Å; C170-L174 WeakPolarHBondContact O-CG 3.41Å; C170-L174 PolarHBondContact O-N 3.24Å; C170-F236 HydrophobicContact CB-CB 4.14Å; C170-C237 WeakPolarHBondContact CA-SG 3.33Å; C170-C237 HydrophobicContact CB-CB 3.99Å; C170-C237 WeakPolarHBondContact CB-SG 3.44Å; C170-C237 WeakPolarHBondContact SG-CA 3.42Å; C170-C237 WeakPolarHBondContact SG-CB 3.19Å; C170-C237 CovalentContact SG-SG 2.04Å; C170-C237 PolarHBondContact SG-SG 3.18Å
171	W	87.9	Confident	86.9	Confident	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-58.3	-44.4	179.6	177.5	52.2	0	0	0	112.5	L31 A32 I35 Y167 F168 T173 L174 L175 E276 F278 L281	L31-W171 HydrophobicContact CB-CH2 4.32Å; L31-W171 HydrophobicContact CD2-CH2 3.58Å; L31-W171 HydrophobicContact CD2-CZ2 4.45Å; L31-W171 HydrophobicContact CD2-CZ3 4.03Å; L31-W171 HydrophobicContact CG-CH2 3.72Å; L31-W171 HydrophobicContact CG-CZ3 4.43Å; A32-W171 HydrophobicContact CB-CZ2 3.95Å; I35-W171 HydrophobicContact CD1-CE3 4.31Å; I35-W171 HydrophobicContact CD1-CH2 3.44Å; I35-W171 VanDerWaalsContact CD1-CH2 3.44Å; I35-W171 HydrophobicContact CD1-CZ3 3.26Å; Y167-W171 WeakPolarHBondContact O-CB 3.3Å; Y167-W171 PolarHBondContact O-N 3.5Å; F168-W171 HydrophobicContact CD1-CE3 4.17Å; F168-W171 HydrophobicContact CD1-CZ3 4.45Å; F168-W171 PolarHBondContact O-N 2.7Å; W171-T173 PolarHBondContact O-N 3.46Å; W171-L174 CarbonylContact O-C 3.19Å; W171-L174 WeakPolarHBondContact O-CA 3.2Å; W171-L174 WeakPolarHBondContact O-CB 3.22Å; W171-L174 PolarHBondContact O-N 2.96Å; W171-L175 HydrophobicContact CD2-CD1 4.29Å; W171-L175 HydrophobicContact CH2-CD1 4.27Å; W171-L175 HydrophobicContact CZ2-CD1 3.88Å; W171-L175 HydrophobicContact CZ2-CD2 4.47Å; W171-L175 WeakPolarHBondContact O-CG 3.43Å; W171-L175 PolarHBondContact O-N 3.3Å; W171-E276 PolarHBondContact NE1-O 2.91Å; W171-F278 HydrophobicContact CB-CD2 3.7Å; W171-F278 HydrophobicContact CB-CE2 4.17Å; W171-F278 HydrophobicContact CD2-CB 3.63Å; W171-F278 AromaticContact CD2-CD2 3.51Å; W171-F278 HydrophobicContact CD2-CD2 3.51Å; W171-F278 HydrophobicContact CD2-CE2 4.47Å; W171-F278 AromaticContact CD2-CG 3.88Å; W171-F278 HydrophobicContact CD2-CG 3.88Å; W171-F278 HydrophobicContact CE3-CB 3.86Å; W171-F278 AromaticContact CE3-CD2 3.48Å; W171-F278 HydrophobicContact CE3-CD2 3.48Å; W171-F278 VanDerWaalsContact CE3-CD2 3.48Å; W171-F278 HydrophobicContact CE3-CE2 4.16Å; W171-F278 AromaticContact CE3-CG 3.76Å; W171-F278 HydrophobicContact CE3-CG 3.76Å; W171-F278 HydrophobicContact CG-CB 4.17Å; W171-F278 AromaticContact CG-CD2 3.61Å; W171-F278 HydrophobicContact CG-CD2 3.61Å; W171-F278 HydrophobicContact CG-CE2 4.5Å; W171-F278 HydrophobicContact CG-CG 4.33Å; W171-F278 HydrophobicContact CH2-CB 4.01Å; W171-F278 HydrophobicContact CZ2-CB 3.78Å; W171-F278 HydrophobicContact CZ3-CB 4.03Å; W171-F278 HydrophobicContact CZ3-CD2 4.28Å; W171-F278 HydrophobicContact CZ3-CG 4.12Å; W171-L281 HydrophobicContact CB-CD1 3.96Å; W171-L281 HydrophobicContact CB-CD2 4.33Å; W171-L281 HydrophobicContact CG-CD1 4.36Å
172	M	91	Very high	86.9	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.7	-31.3	173.3	-71.7	168.5	175.7	0	0	112.9	I35 C102 F106 C109 F168 M169 C170 L175 Q176 L177 L180	I35-M172 HydrophobicContact CD1-CE 4.27Å; C102-M172 HydrophobicContact CB-CE 4.29Å; C102-M172 VanDerWaalsContact O-CE 3.25Å; C102-M172 WeakPolarHBondContact O-CE 3.03Å; F106-M172 HydrophobicContact CB-CE 4.42Å; F106-M172 HydrophobicContact CB-SD 4.25Å; F106-M172 HydrophobicContact CD2-CB 4.3Å; F106-M172 HydrophobicContact CD2-CG 4.35Å; F106-M172 HydrophobicContact CD2-SD 3.61Å; F106-M172 HydrophobicContact CE2-SD 4.49Å; F106-M172 HydrophobicContact CG-SD 4.41Å; C109-M172 HydrophobicContact CB-CE 3.85Å; C109-M172 HydrophobicContact CB-SD 4.31Å; F168-M172 WeakPolarHBondContact O-CB 3.45Å; F168-M172 VanDerWaalsContact O-CG 3.3Å; F168-M172 WeakPolarHBondContact O-CG 3.43Å; F168-M172 PolarHBondContact O-N 2.98Å; M169-M172 HydrophobicContact SD-SD 4.19Å; C170-M172 VanDerWaalsContact C-N 3.34Å; C170-M172 PolarHBondContact O-N 2.95Å; M172-L175 PolarHBondContact O-N 3.27Å; M172-Q176 PolarHBondContact O-N 2.94Å; M172-L177 HydrophobicContact CB-CD1 3.92Å; M172-L177 HydrophobicContact CG-CD1 4.15Å; M172-L177 WeakPolarHBondContact O-CG 3.47Å; M172-L177 PolarHBondContact O-N 2.98Å; M172-L180 VanDerWaalsContact C-CD1 3.48Å; M172-L180 HydrophobicContact CB-CD1 3.92Å
173	T	89.6	Confident	86.9	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.6	-41.7	170.9	-55.7	0	0	0	0	111.2	M169 C170 W171 L175 Q176 F229 A232 L233 L272	M169-T173 PolarHBondContact O-N 2.77Å; M169-T173 PolarHBondContact O-OG1 2.78Å; C170-T173 CarbonylContact O-C 3.53Å; C170-T173 WeakPolarHBondContact O-CA 3.22Å; C170-T173 WeakPolarHBondContact O-CB 3.33Å; C170-T173 PolarHBondContact O-N 3.46Å; W171-T173 PolarHBondContact O-N 3.46Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-L175 PolarHBondContact O-N 2.82Å; T173-Q176 WeakPolarHBondContact O-CA 3.24Å; T173-Q176 PolarHBondContact O-N 2.83Å; T173-F229 HydrophobicContact CG2-CB 4.18Å; T173-F229 HydrophobicContact CG2-CD1 4.23Å; T173-A232 HydrophobicContact CG2-CB 3.47Å; T173-A232 VanDerWaalsContact CG2-CB 3.47Å; T173-L233 HydrophobicContact CG2-CD2 3.93Å; T173-L233 HydrophobicContact CG2-CG 3.96Å; T173-L272 HydrophobicContact CG2-CD2 4.48Å
174	L	85.9	Confident	86.2	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.6	-28.3	176.8	-56	176.6	0	0	0	112.2	C170 W171 Q176 L233 L270 L272 N275 L281	C170-L174 WeakPolarHBondContact O-CG 3.41Å; C170-L174 PolarHBondContact O-N 3.24Å; W171-L174 CarbonylContact O-C 3.19Å; W171-L174 WeakPolarHBondContact O-CA 3.2Å; W171-L174 WeakPolarHBondContact O-CB 3.22Å; W171-L174 PolarHBondContact O-N 2.96Å; L174-Q176 PolarHBondContact O-N 3.27Å; L174-L233 HydrophobicContact CD2-CD2 3.89Å; L174-L270 HydrophobicContact CD1-CD1 3.96Å; L174-L270 HydrophobicContact CD1-CG 4.46Å; L174-L270 HydrophobicContact CD2-CD1 4.29Å; L174-L270 HydrophobicContact CD2-CD2 4.02Å; L174-L270 HydrophobicContact CD2-CG 3.89Å; L174-L272 HydrophobicContact CD2-CD2 3.97Å; L174-N275 HydrophobicContact CB-CB 4.2Å; L174-N275 HydrophobicContact CD1-CB 3.31Å; L174-N275 HydrophobicContact CG-CB 4.23Å; L174-L281 HydrophobicContact CD1-CD1 3.35Å
175	L	87	Confident	85.5	Confident	5 Å²	5	14 Å²	14	3%	0.026	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.5	167.7	-63.5	-177.1	0	0	0	113.3	A32 I35 R36 W171 M172 T173 L177 E276	A32-L175 HydrophobicContact CB-CD1 4.36Å; A32-L175 HydrophobicContact CB-CD2 3.69Å; I35-L175 HydrophobicContact CB-CD1 4.5Å; I35-L175 HydrophobicContact CG2-CD1 4.29Å; R36-L175 PolarHBondContact NE-O 2.9Å; R36-L175 PolarHBondContact NH2-O 2.93Å; W171-L175 HydrophobicContact CD2-CD1 4.29Å; W171-L175 HydrophobicContact CH2-CD1 4.27Å; W171-L175 HydrophobicContact CZ2-CD1 3.88Å; W171-L175 HydrophobicContact CZ2-CD2 4.47Å; W171-L175 WeakPolarHBondContact O-CG 3.43Å; W171-L175 PolarHBondContact O-N 3.3Å; M172-L175 PolarHBondContact O-N 3.27Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-L175 PolarHBondContact O-N 2.82Å; L175-L177 HydrophobicContact CB-CD2 4.46Å; L175-L177 HydrophobicContact CB-CG 4.42Å; L175-L177 PolarHBondContact O-N 3.37Å; L175-E276 HydrophobicContact CD2-CB 4.22Å; L175-E276 HydrophobicContact CD2-CG 4.35Å
176	Q	90.2	Very high	84.5	Confident	24 Å²	24	14.6 Å²	14.6	11%	0.112	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	38.6	177.8	-59.9	179.8	-8.3	0	0	114.1	W20 H24 M172 T173 L174 P178 F229 L272	W20-Q176 HydrophobicContact CH2-CB 4.43Å; H24-Q176 PolarHBondContact NE2-OE1 3.32Å; M172-Q176 PolarHBondContact O-N 2.94Å; T173-Q176 WeakPolarHBondContact O-CA 3.24Å; T173-Q176 PolarHBondContact O-N 2.83Å; L174-Q176 PolarHBondContact O-N 3.27Å; Q176-P178 WeakPolarHBondContact O-CD 3.33Å; Q176-F229 HydrophobicContact CB-CE1 4.21Å; Q176-F229 HydrophobicContact CB-CE2 4.17Å; Q176-F229 HydrophobicContact CB-CZ 3.69Å; Q176-F229 HydrophobicContact CG-CE2 4.27Å; Q176-F229 HydrophobicContact CG-CZ 4.24Å; Q176-L272 HydrophobicContact CG-CB 4.05Å; Q176-L272 HydrophobicContact CG-CD1 4.42Å; Q176-L272 HydrophobicContact CG-CD2 4.36Å; Q176-L272 VanDerWaalsContact NE2-CB 3.28Å
177	L	91.5	Very high	83.3	Confident	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.088	C	C	.	.			trans	-59.6	126.4	178.2	-60.4	-176.2	0	0	0	111	I35 R36 Y39 F106 M172 L175 L179 L180	I35-L177 HydrophobicContact CG2-CD1 4.32Å; R36-L177 HydrophobicContact CG-CD2 4.29Å; Y39-L177 HydrophobicContact CD1-CD2 4.46Å; Y39-L177 HydrophobicContact CD2-CB 4.23Å; Y39-L177 HydrophobicContact CD2-CD1 3.97Å; Y39-L177 HydrophobicContact CD2-CD2 4.14Å; Y39-L177 HydrophobicContact CD2-CG 4.35Å; Y39-L177 HydrophobicContact CE2-CB 4.02Å; Y39-L177 HydrophobicContact CE2-CD1 4.44Å; Y39-L177 HydrophobicContact CG-CD2 4Å; F106-L177 HydrophobicContact CB-CD1 3.63Å; F106-L177 HydrophobicContact CD2-CD1 3.61Å; F106-L177 HydrophobicContact CE2-CD1 4.46Å; F106-L177 HydrophobicContact CG-CD1 3.68Å; M172-L177 HydrophobicContact CB-CD1 3.92Å; M172-L177 HydrophobicContact CG-CD1 4.15Å; M172-L177 WeakPolarHBondContact O-CG 3.47Å; M172-L177 PolarHBondContact O-N 2.98Å; L175-L177 HydrophobicContact CB-CD2 4.46Å; L175-L177 HydrophobicContact CB-CG 4.42Å; L175-L177 PolarHBondContact O-N 3.37Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L177-L179 PolarHBondContact O-N 2.79Å; L177-L180 HydrophobicContact CB-CD1 4.21Å; L177-L180 WeakPolarHBondContact O-CB 3.29Å; L177-L180 PolarHBondContact O-N 3.39Å
178	P	89	Confident	81.8	Confident	77 Å²	77	18.8 Å²	18.8	50%	0.5	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-53	-34	-170.5	-30.8	31.8	0	0	0	116.4	Y39 Q176 L180 R181	Y39-P178 HydrophobicContact CE1-CB 4.37Å; Y39-P178 VanDerWaalsContact CE1-CD 3.5Å; Y39-P178 HydrophobicContact CE1-CG 3.91Å; Q176-P178 WeakPolarHBondContact O-CD 3.33Å; P178-L180 PolarHBondContact O-N 3.04Å; P178-R181 WeakPolarHBondContact O-CB 3.5Å; P178-R181 PolarHBondContact O-N 3.25Å; P178-R181 VanDerWaalsContact O-N 3.14Å
179	L	87.4	Confident	79.8	Confident	22 Å²	22	24.1 Å²	24.1	12%	0.115	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-65.8	-22.4	177.8	-84.1	169.3	0	0	0	113.5	Y39 M46 V51 I54 I55 F106 F107 L177 R181 L183	Y39-L179 HydrophobicContact CE2-CB 4.27Å; Y39-L179 HydrophobicContact CE2-CD1 3.93Å; Y39-L179 HydrophobicContact CE2-CG 4.31Å; Y39-L179 WeakPolarHBondContact OH-CB 3.16Å; Y39-L179 WeakPolarHBondContact OH-CG 3.35Å; Y39-L179 PolarHBondContact OH-N 3.41Å; M46-L179 HydrophobicContact CE-CD1 4.44Å; V51-L179 HydrophobicContact CG1-CD2 4.22Å; I54-L179 HydrophobicContact CG2-CD1 3.91Å; I55-L179 HydrophobicContact CD1-CD2 3.96Å; I55-L179 HydrophobicContact CG1-CD2 3.5Å; F106-L179 HydrophobicContact CE1-CB 4.23Å; F106-L179 HydrophobicContact CE1-CD1 3.85Å; F106-L179 HydrophobicContact CZ-CB 4.34Å; F107-L179 HydrophobicContact CE1-CD1 3.45Å; F107-L179 VanDerWaalsContact CE1-CD1 3.45Å; F107-L179 HydrophobicContact CZ-CD1 3.87Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L177-L179 PolarHBondContact O-N 2.79Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-L183 WeakPolarHBondContact O-CD2 3.37Å
180	L	89.9	Confident	77.5	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-86.5	-9	177.3	-63.3	170.8	0	0	0	112.7	T58 F106 M169 M172 L177 P178 Y182 L183 F229 A232 F236	T58-L180 HydrophobicContact CG2-CD2 3.67Å; F106-L180 HydrophobicContact CE2-CD1 4.01Å; F106-L180 HydrophobicContact CE2-CD2 4.04Å; F106-L180 HydrophobicContact CE2-CG 4.03Å; F106-L180 HydrophobicContact CZ-CD2 4.31Å; F106-L180 HydrophobicContact CZ-CG 4.36Å; M169-L180 HydrophobicContact CE-CD2 4.08Å; M172-L180 VanDerWaalsContact C-CD1 3.48Å; M172-L180 HydrophobicContact CB-CD1 3.92Å; L177-L180 HydrophobicContact CB-CD1 4.21Å; L177-L180 WeakPolarHBondContact O-CB 3.29Å; L177-L180 PolarHBondContact O-N 3.39Å; P178-L180 PolarHBondContact O-N 3.04Å; L180-Y182 PolarHBondContact O-N 3.44Å; L180-L183 HydrophobicContact CB-CD1 4.45Å; L180-L183 HydrophobicContact CD2-CD1 3.55Å; L180-L183 HydrophobicContact CD2-CD2 4.29Å; L180-L183 HydrophobicContact CD2-CG 4.23Å; L180-F229 HydrophobicContact CB-CD1 4.23Å; L180-F229 HydrophobicContact CB-CE1 4.32Å; L180-A232 HydrophobicContact CB-CB 4.16Å; L180-A232 WeakPolarHBondContact O-CB 3.45Å; L180-F236 HydrophobicContact CD2-CE2 3.84Å
181	R	87.4	Confident	75.3	Confident	55 Å²	55	38.1 Å²	38.1	21%	0.208	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-44.6	-173.6	-174.5	178.6	169.6	152.6	-2.3	112.4	P178 L179 P228 F229	P178-R181 WeakPolarHBondContact O-CB 3.5Å; P178-R181 PolarHBondContact O-N 3.25Å; P178-R181 VanDerWaalsContact O-N 3.14Å; L179-R181 VanDerWaalsContact C-N 3.34Å; R181-P228 HydrophobicContact CG-CB 3.91Å; R181-P228 CarbonylContact O-C 3.52Å; R181-P228 WeakPolarHBondContact O-CA 3.45Å; R181-F229 HydrophobicContact CB-CD1 4.41Å; R181-F229 HydrophobicContact CB-CE1 3.92Å; R181-F229 HydrophobicContact CB-CE2 4.4Å; R181-F229 HydrophobicContact CB-CZ 3.91Å; R181-F229 HydrophobicContact CG-CE2 4.14Å; R181-F229 HydrophobicContact CG-CZ 4.12Å; R181-F229 PolarHBondContact O-N 3.44Å
182	Y	82.2	Confident	73.2	Confident	78 Å²	78	40 Å²	40	31%	0.306	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	57.4	-174.2	-56.9	-55.6	0	0	0	109.1	L180 L224 D225 P228	L180-Y182 PolarHBondContact O-N 3.44Å; Y182-L224 WeakPolarHBondContact O-CB 3.17Å; Y182-L224 VanDerWaalsContact O-CD2 3.26Å; Y182-L224 WeakPolarHBondContact O-CD2 3.17Å; Y182-D225 WeakPolarHBondContact CD1-O 3.04Å; Y182-P228 HydrophobicContact CE1-CB 4.36Å; Y182-P228 HydrophobicContact CE1-CG 3.83Å
183	L	79	Confident	71.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.199	C	C	.	.			trans	-62.9	141.9	-178.8	-78.7	172	0	0	0	111	T58 L179 L180 C186 D225 C231 A232 F236	T58-L183 HydrophobicContact CG2-CD1 4.27Å; T58-L183 HydrophobicContact CG2-CD2 3.52Å; L179-L183 WeakPolarHBondContact O-CD2 3.37Å; L180-L183 HydrophobicContact CB-CD1 4.45Å; L180-L183 HydrophobicContact CD2-CD1 3.55Å; L180-L183 HydrophobicContact CD2-CD2 4.29Å; L180-L183 HydrophobicContact CD2-CG 4.23Å; L183-C186 PolarHBondContact O-SG 2.91Å; L183-D225 PolarHBondContact O-N 2.95Å; L183-C231 HydrophobicContact CB-CB 4.29Å; L183-A232 HydrophobicContact CD1-CB 3.63Å; L183-F236 HydrophobicContact CD1-CE2 3.58Å; L183-F236 HydrophobicContact CD1-CZ 4.23Å
184	P	66.9	Low	68.9	Low	5 Å²	5	44.1 Å²	44.1	3%	0.032	22%	0.215	C	C	.	.	S	Bend	trans	-69.4	168.8	165.8	28.1	-31.4	0	0	0	111.1	I55	I55-P184 HydrophobicContact CG2-CG 3.77Å
185	Y	66.9	Low	66.9	Low	17 Å²	17	45.2 Å²	45.2	7%	0.067	23%	0.226	C	C	.	.			trans	70.6	57.3	172.6	-43.2	-80.7	0	0	0	115.3	G59 R66 F193 I194	G59-Y185 VanDerWaalsContact C-CD2 3.47Å; G59-Y185 VanDerWaalsContact CA-CE2 3.49Å; R66-Y185 PolarHBondContact NH1-O 3.34Å; R66-Y185 PolarHBondContact NH2-O 3.43Å; Y185-F193 HydrophobicContact CD1-CB 4.42Å; Y185-F193 HydrophobicContact CD1-CD2 4.49Å; Y185-F193 HydrophobicContact CE1-CB 3.72Å; Y185-F193 PolarHBondContact OH-O 2.83Å; Y185-I194 VanDerWaalsContact OH-C 3.29Å; Y185-I194 PolarHBondContact OH-O 3.37Å
186	C	67	Low	65	Low	13 Å²	13	46.1 Å²	46.1	9%	0.088	23%	0.23	C	C	.	.			trans	-91.8	-22.1	-177.9	-49.3	0	0	0	0	114	L183 C231 L247	L183-C186 PolarHBondContact O-SG 2.91Å; C186-C231 WeakPolarHBondContact CA-SG 3.45Å; C186-C231 HydrophobicContact CB-CB 3.98Å; C186-C231 WeakPolarHBondContact CB-SG 3.23Å; C186-C231 WeakPolarHBondContact SG-CB 3.35Å; C186-C231 CovalentContact SG-SG 2.04Å; C186-C231 PolarHBondContact SG-SG 3.08Å; C186-L247 HydrophobicContact CB-CD1 3.99Å; C186-L247 HydrophobicContact CB-CD2 3.44Å; C186-L247 VanDerWaalsContact CB-CD2 3.44Å; C186-L247 HydrophobicContact CB-CG 4.33Å
187	S	59.5	Low	63.1	Low	49 Å²	49	48 Å²	48	34%	0.343	24%	0.243	S	C	.	.			trans	-115.6	157.5	179.5	170.4	0	0	0	0	110.8	D189	S187-D189 WeakPolarHBondContact OG-CB 3.38Å; S187-D189 PolarHBondContact OG-N 2.87Å; S187-D189 PolarHBondContact OG-OD1 3.04Å; S187-D189 PolarHBondContact OG-OD2 2.87Å
188	F	52	Low	61.1	Low	44 Å²	44	56.5 Å²	56.5	19%	0.193	28%	0.28	C	S	.	.			trans	-91.5	-6.7	171.3	-68.1	-73.2	0	0	0	112.1	F63 R66 H190 F208	F63-F188 HydrophobicContact CD2-CD1 4.4Å; F63-F188 HydrophobicContact CD2-CE1 4.2Å; F63-F188 AromaticContact CE2-CD1 3.78Å; F63-F188 HydrophobicContact CE2-CD1 3.78Å; F63-F188 AromaticContact CE2-CE1 3.8Å; F63-F188 HydrophobicContact CE2-CE1 3.8Å; F63-F188 HydrophobicContact CZ-CD1 4.47Å; F63-F188 HydrophobicContact CZ-CE1 4.31Å; R66-F188 HydrophobicContact CB-CZ 3.87Å; F188-H190 PolarHBondContact O-N 3.13Å; F188-F208 HydrophobicContact CB-CE1 3.94Å; F188-F208 HydrophobicContact CB-CZ 4.46Å; F188-F208 AromaticContact CD1-CE1 3.77Å; F188-F208 HydrophobicContact CD1-CE1 3.77Å; F188-F208 AromaticContact CD1-CZ 3.42Å; F188-F208 HydrophobicContact CD1-CZ 3.42Å; F188-F208 VanDerWaalsContact CD1-CZ 3.42Å; F188-F208 AromaticContact CE1-CZ 3.9Å; F188-F208 HydrophobicContact CE1-CZ 3.9Å; F188-F208 HydrophobicContact CG-CE1 4.11Å; F188-F208 HydrophobicContact CG-CZ 4.2Å
189	D	45.8	Very low	59.3	Low	111 Å²	111	53.3 Å²	53.3	59%	0.594	26%	0.261	S	S	*	.	S	Bend	trans	-90.1	115.8	-158.5	-27.5	-26.5	0	0	0	109.3	S187 K191	S187-D189 WeakPolarHBondContact OG-CB 3.38Å; S187-D189 PolarHBondContact OG-N 2.87Å; S187-D189 PolarHBondContact OG-OD1 3.04Å; S187-D189 PolarHBondContact OG-OD2 2.87Å; D189-K191 PolarHBondContact O-N 3.43Å
190	H	43	Very low	57.6	Low	166 Å²	166	53.7 Å²	53.7	77%	0.769	26%	0.262	S	S	*	.	S	Bend	trans	52.5	3.7	162.4	-59.9	-63.1	0	0	0	120.6	F188	F188-H190 PolarHBondContact O-N 3.13Å
191	K	43.1	Very low	55.8	Low	129 Å²	129	54.7 Å²	54.7	56%	0.561	27%	0.266	S	S	*	.			trans	-135	126	179.2	-49	-176.4	178.9	179.4	0	111.2	D189 F193	D189-K191 PolarHBondContact O-N 3.43Å; K191-F193 VanDerWaalsContact C-CD2 3.45Å; K191-F193 HydrophobicContact CB-CD2 4.31Å; K191-F193 HydrophobicContact CB-CE1 3.9Å; K191-F193 HydrophobicContact CB-CE2 3.23Å; K191-F193 HydrophobicContact CB-CZ 3.05Å; K191-F193 HydrophobicContact CD-CZ 3.96Å; K191-F193 HydrophobicContact CG-CZ 4.12Å; K191-F193 WeakPolarHBondContact O-CD2 3Å; K191-F193 WeakPolarHBondContact O-CE2 3.33Å
192	W	42.8	Very low	54.2	Low	39 Å²	39	55.7 Å²	55.7	15%	0.148	28%	0.278	C	S	.	.			trans	-128.4	144.1	-171.6	-61.9	93.9	0	0	0	109.9	F63 F196 V204 F208 V212	F63-W192 HydrophobicContact CD2-CZ3 4.41Å; F63-W192 AromaticContact CE2-CH2 3.8Å; F63-W192 HydrophobicContact CE2-CH2 3.8Å; F63-W192 AromaticContact CE2-CZ3 3.56Å; F63-W192 HydrophobicContact CE2-CZ3 3.56Å; F63-W192 AromaticContact CZ-CH2 3.93Å; F63-W192 HydrophobicContact CZ-CH2 3.93Å; F63-W192 AromaticContact CZ-CZ3 3.86Å; F63-W192 HydrophobicContact CZ-CZ3 3.86Å; W192-F196 HydrophobicContact CB-CE2 4.43Å; W192-F196 HydrophobicContact CB-CZ 4.43Å; W192-F196 HydrophobicContact CD2-CE1 4.4Å; W192-F196 HydrophobicContact CD2-CE2 4.3Å; W192-F196 AromaticContact CD2-CZ 3.85Å; W192-F196 HydrophobicContact CD2-CZ 3.85Å; W192-F196 HydrophobicContact CE3-CD2 4.47Å; W192-F196 AromaticContact CE3-CE1 3.91Å; W192-F196 HydrophobicContact CE3-CE1 3.91Å; W192-F196 AromaticContact CE3-CE2 3.31Å; W192-F196 HydrophobicContact CE3-CE2 3.31Å; W192-F196 AromaticContact CE3-CZ 2.98Å; W192-F196 HydrophobicContact CE3-CZ 2.98Å; W192-F196 HydrophobicContact CG-CZ 4.48Å; W192-F196 HydrophobicContact CZ3-CE1 4.44Å; W192-F196 AromaticContact CZ3-CE2 3.89Å; W192-F196 HydrophobicContact CZ3-CE2 3.89Å; W192-F196 AromaticContact CZ3-CZ 3.39Å; W192-F196 HydrophobicContact CZ3-CZ 3.39Å; W192-V204 HydrophobicContact CH2-CB 4.48Å; W192-V204 HydrophobicContact CH2-CG1 3.13Å; W192-V204 HydrophobicContact CZ2-CG1 3.96Å; W192-V204 HydrophobicContact CZ3-CG1 3.53Å; W192-F208 AromaticContact CH2-CD2 3.82Å; W192-F208 HydrophobicContact CH2-CD2 3.82Å; W192-F208 AromaticContact CH2-CE2 3.88Å; W192-F208 HydrophobicContact CH2-CE2 3.88Å; W192-F208 HydrophobicContact CH2-CG 4.16Å; W192-F208 HydrophobicContact CH2-CZ 4.23Å; W192-F208 HydrophobicContact CZ2-CB 4.48Å; W192-F208 HydrophobicContact CZ2-CD1 4.28Å; W192-F208 HydrophobicContact CZ2-CD2 4.1Å; W192-F208 AromaticContact CZ2-CG 3.99Å; W192-F208 HydrophobicContact CZ2-CG 3.99Å; W192-V212 HydrophobicContact CG-CG1 4.37Å
193	F	48.2	Very low	52.8	Low	20 Å²	20	54 Å²	54	9%	0.088	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-152.7	173.7	-145.3	-60.8	-64.4	0	0	0	116.6	Y185 K191 G195 F196 G220 D222	Y185-F193 HydrophobicContact CD1-CB 4.42Å; Y185-F193 HydrophobicContact CD1-CD2 4.49Å; Y185-F193 HydrophobicContact CE1-CB 3.72Å; Y185-F193 PolarHBondContact OH-O 2.83Å; K191-F193 VanDerWaalsContact C-CD2 3.45Å; K191-F193 HydrophobicContact CB-CD2 4.31Å; K191-F193 HydrophobicContact CB-CE1 3.9Å; K191-F193 HydrophobicContact CB-CE2 3.23Å; K191-F193 HydrophobicContact CB-CZ 3.05Å; K191-F193 HydrophobicContact CD-CZ 3.96Å; K191-F193 HydrophobicContact CG-CZ 4.12Å; K191-F193 WeakPolarHBondContact O-CD2 3Å; K191-F193 WeakPolarHBondContact O-CE2 3.33Å; F193-G195 PolarHBondContact O-N 2.94Å; F193-F196 WeakPolarHBondContact O-CB 3.36Å; F193-F196 WeakPolarHBondContact O-CD2 3.45Å; F193-F196 PolarHBondContact O-N 3.35Å; F193-F196 VanDerWaalsContact O-N 3.13Å; F193-G220 VanDerWaalsContact CA-O 3.32Å; F193-G220 WeakPolarHBondContact CA-O 3.31Å; F193-G220 WeakPolarHBondContact CB-O 3.42Å; F193-G220 WeakPolarHBondContact CD1-O 3.28Å; F193-G220 WeakPolarHBondContact CG-O 3.3Å; F193-D222 HydrophobicContact CD1-CB 4.2Å; F193-D222 HydrophobicContact CD2-CB 3.6Å; F193-D222 HydrophobicContact CE1-CB 3.89Å; F193-D222 HydrophobicContact CE2-CB 3.29Å; F193-D222 WeakPolarHBondContact CE2-OD2 3.38Å; F193-D222 HydrophobicContact CG-CB 3.97Å; F193-D222 HydrophobicContact CZ-CB 3.35Å; F193-D222 WeakPolarHBondContact CZ-OD1 3.44Å
194	I	41.8	Very low	51.7	Low	67 Å²	67	54.1 Å²	54.1	34%	0.344	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	116	-167.2	-62.1	-164	0	0	0	116.2	Y185 F219 G220 M221	Y185-I194 VanDerWaalsContact OH-C 3.29Å; Y185-I194 PolarHBondContact OH-O 3.37Å; I194-F219 HydrophobicContact CG1-CB 4.14Å; I194-G220 PolarHBondContact N-O 3.43Å; I194-M221 HydrophobicContact CB-SD 3.73Å; I194-M221 HydrophobicContact CD1-CG 3.43Å; I194-M221 VanDerWaalsContact CD1-CG 3.43Å; I194-M221 HydrophobicContact CD1-SD 3.57Å; I194-M221 VanDerWaalsContact CD1-SD 3.57Å; I194-M221 HydrophobicContact CG1-CG 4.01Å; I194-M221 HydrophobicContact CG1-SD 3.8Å; I194-M221 HydrophobicContact CG2-SD 4.28Å
195	G	43.8	Very low	51.1	Low	23 Å²	23	58.4 Å²	58.4	24%	0.237	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	112	-5.1	-175.8	0	0	0	0	0	112.2	R60 F193 T197	R60-G195 WeakPolarHBondContact CD-O 3.5Å; F193-G195 PolarHBondContact O-N 2.94Å; G195-T197 PolarHBondContact O-N 3.47Å
196	F	47.3	Very low	50.5	Low	24 Å²	24	63.7 Å²	63.7	11%	0.105	32%	0.322	C	S	.	.			trans	-53.1	87.9	154.7	-104.5	-107	0	0	0	109.7	W192 F193 F200 H201	W192-F196 HydrophobicContact CB-CE2 4.43Å; W192-F196 HydrophobicContact CB-CZ 4.43Å; W192-F196 HydrophobicContact CD2-CE1 4.4Å; W192-F196 HydrophobicContact CD2-CE2 4.3Å; W192-F196 AromaticContact CD2-CZ 3.85Å; W192-F196 HydrophobicContact CD2-CZ 3.85Å; W192-F196 HydrophobicContact CE3-CD2 4.47Å; W192-F196 AromaticContact CE3-CE1 3.91Å; W192-F196 HydrophobicContact CE3-CE1 3.91Å; W192-F196 AromaticContact CE3-CE2 3.31Å; W192-F196 HydrophobicContact CE3-CE2 3.31Å; W192-F196 AromaticContact CE3-CZ 2.98Å; W192-F196 HydrophobicContact CE3-CZ 2.98Å; W192-F196 HydrophobicContact CG-CZ 4.48Å; W192-F196 HydrophobicContact CZ3-CE1 4.44Å; W192-F196 AromaticContact CZ3-CE2 3.89Å; W192-F196 HydrophobicContact CZ3-CE2 3.89Å; W192-F196 AromaticContact CZ3-CZ 3.39Å; W192-F196 HydrophobicContact CZ3-CZ 3.39Å; F193-F196 WeakPolarHBondContact O-CB 3.36Å; F193-F196 WeakPolarHBondContact O-CD2 3.45Å; F193-F196 PolarHBondContact O-N 3.35Å; F193-F196 VanDerWaalsContact O-N 3.13Å; F196-F200 HydrophobicContact CD1-CD1 4.24Å; F196-F200 AromaticContact CD2-CD1 3.9Å; F196-F200 HydrophobicContact CD2-CD1 3.9Å; F196-F200 HydrophobicContact CD2-CE1 4.16Å; F196-F200 AromaticContact CE1-CD1 3.88Å; F196-F200 HydrophobicContact CE1-CD1 3.88Å; F196-F200 HydrophobicContact CE1-CE1 4.38Å; F196-F200 AromaticContact CE2-CD1 3.49Å; F196-F200 HydrophobicContact CE2-CD1 3.49Å; F196-F200 VanDerWaalsContact CE2-CD1 3.49Å; F196-F200 AromaticContact CE2-CE1 3.41Å; F196-F200 HydrophobicContact CE2-CE1 3.41Å; F196-F200 VanDerWaalsContact CE2-CE1 3.41Å; F196-F200 HydrophobicContact CG-CD1 4.21Å; F196-F200 AromaticContact CZ-CD1 3.43Å; F196-F200 HydrophobicContact CZ-CD1 3.43Å; F196-F200 VanDerWaalsContact CZ-CD1 3.43Å; F196-F200 AromaticContact CZ-CE1 3.49Å; F196-F200 HydrophobicContact CZ-CE1 3.49Å; F196-F200 VanDerWaalsContact CZ-CE1 3.49Å; F196-H201 HydrophobicContact CD1-CB 3.75Å; F196-H201 HydrophobicContact CE1-CB 3.84Å; F196-H201 AromaticContact CE1-ND1 3.86Å
197	T	49.8	Very low	49.8	Very low	63 Å²	63	67.2 Å²	67.2	39%	0.387	33%	0.334	S	S	.	.			trans	-64.5	145.1	159.9	60.5	0	0	0	0	106.6	G195 G199 F200 H201	G195-T197 PolarHBondContact O-N 3.47Å; T197-G199 PolarHBondContact O-N 2.95Å; T197-F200 PolarHBondContact O-N 3.48Å; T197-F200 PolarHBondContact OG1-N 2.79Å; T197-H201 PolarHBondContact O-N 3.49Å; T197-H201 VanDerWaalsContact O-N 3.14Å
198	K	49.9	Very low	49.2	Very low	184 Å²	184	66.6 Å²	66.6	80%	0.8	33%	0.325	S	S	*	.	H	α-helix	trans	-48.2	-33.8	173.8	-172.8	175.7	-178.5	175.8	0	111.6	H201 V202	K198-H201 PolarHBondContact O-N 3.11Å; K198-V202 WeakPolarHBondContact O-CG2 3.13Å; K198-V202 PolarHBondContact O-N 2.87Å
199	G	51.3	Low	49	Very low	9 Å²	9	70.6 Å²	70.6	9%	0.093	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-45.3	176	0	0	0	0	0	114.7	T197 H201 V202 H203	T197-G199 PolarHBondContact O-N 2.95Å; G199-H201 VanDerWaalsContact C-N 3.27Å; G199-H201 PolarHBondContact O-N 2.68Å; G199-V202 PolarHBondContact O-N 2.93Å; G199-H203 PolarHBondContact O-N 2.94Å
200	F	52.3	Low	48.8	Very low	30 Å²	30	70.8 Å²	70.8	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-37.1	175.8	-173.8	-105.1	0	0	0	111.8	F63 F196 T197 H203 V204	F63-F200 HydrophobicContact CB-CZ 4.44Å; F63-F200 HydrophobicContact CD1-CE1 4.3Å; F63-F200 HydrophobicContact CD1-CE2 4.25Å; F63-F200 AromaticContact CD1-CZ 3.43Å; F63-F200 HydrophobicContact CD1-CZ 3.43Å; F63-F200 VanDerWaalsContact CD1-CZ 3.43Å; F63-F200 HydrophobicContact CE1-CE1 4.42Å; F63-F200 AromaticContact CE1-CZ 3.75Å; F63-F200 HydrophobicContact CE1-CZ 3.75Å; F63-F200 HydrophobicContact CG-CZ 4Å; F196-F200 HydrophobicContact CD1-CD1 4.24Å; F196-F200 AromaticContact CD2-CD1 3.9Å; F196-F200 HydrophobicContact CD2-CD1 3.9Å; F196-F200 HydrophobicContact CD2-CE1 4.16Å; F196-F200 AromaticContact CE1-CD1 3.88Å; F196-F200 HydrophobicContact CE1-CD1 3.88Å; F196-F200 HydrophobicContact CE1-CE1 4.38Å; F196-F200 AromaticContact CE2-CD1 3.49Å; F196-F200 HydrophobicContact CE2-CD1 3.49Å; F196-F200 VanDerWaalsContact CE2-CD1 3.49Å; F196-F200 AromaticContact CE2-CE1 3.41Å; F196-F200 HydrophobicContact CE2-CE1 3.41Å; F196-F200 VanDerWaalsContact CE2-CE1 3.41Å; F196-F200 HydrophobicContact CG-CD1 4.21Å; F196-F200 AromaticContact CZ-CD1 3.43Å; F196-F200 HydrophobicContact CZ-CD1 3.43Å; F196-F200 VanDerWaalsContact CZ-CD1 3.43Å; F196-F200 AromaticContact CZ-CE1 3.49Å; F196-F200 HydrophobicContact CZ-CE1 3.49Å; F196-F200 VanDerWaalsContact CZ-CE1 3.49Å; T197-F200 PolarHBondContact O-N 3.48Å; T197-F200 PolarHBondContact OG1-N 2.79Å; F200-H203 PolarHBondContact O-N 3.21Å; F200-V204 HydrophobicContact CD1-CG2 4.04Å; F200-V204 HydrophobicContact CD2-CG2 4.42Å; F200-V204 HydrophobicContact CE1-CG2 3.71Å; F200-V204 HydrophobicContact CE2-CG2 4.12Å; F200-V204 HydrophobicContact CG-CG2 4.4Å; F200-V204 HydrophobicContact CZ-CG2 3.77Å; F200-V204 VanDerWaalsContact O-CG2 3.28Å; F200-V204 WeakPolarHBondContact O-CG2 3.2Å; F200-V204 PolarHBondContact O-N 3.36Å
201	H	52.7	Low	48.7	Very low	21 Å²	21	67 Å²	67	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-58.4	-50.3	175	177.8	66.5	0	0	0	113.2	F196 T197 K198 G199 H203 V204 K205 L214	F196-H201 HydrophobicContact CD1-CB 3.75Å; F196-H201 HydrophobicContact CE1-CB 3.84Å; F196-H201 AromaticContact CE1-ND1 3.86Å; T197-H201 PolarHBondContact O-N 3.49Å; T197-H201 VanDerWaalsContact O-N 3.14Å; K198-H201 PolarHBondContact O-N 3.11Å; G199-H201 VanDerWaalsContact C-N 3.27Å; G199-H201 PolarHBondContact O-N 2.68Å; H201-H203 VanDerWaalsContact C-N 3.26Å; H201-H203 PolarHBondContact O-N 3.07Å; H201-V204 PolarHBondContact O-N 3.32Å; H201-V204 VanDerWaalsContact O-N 3.17Å; H201-K205 WeakPolarHBondContact O-CB 3.39Å; H201-K205 PolarHBondContact O-N 2.99Å; H201-L214 HydrophobicContact CB-CD1 4.19Å; H201-L214 WeakPolarHBondContact CD2-CD1 3.26Å; H201-L214 VanDerWaalsContact CE1-CD1 3.47Å; H201-L214 WeakPolarHBondContact CE1-CD1 3.36Å; H201-L214 WeakPolarHBondContact CE1-CG 3.24Å; H201-L214 WeakPolarHBondContact ND1-CD2 3.22Å; H201-L214 WeakPolarHBondContact NE2-CD1 3.42Å
202	V	52.5	Low	48.5	Very low	76 Å²	76	62.3 Å²	62.3	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-43.5	-179.1	172.4	0	0	0	0	110.5	K198 G199 V204	K198-V202 WeakPolarHBondContact O-CG2 3.13Å; K198-V202 PolarHBondContact O-N 2.87Å; G199-V202 PolarHBondContact O-N 2.93Å; V202-V204 PolarHBondContact O-N 3.21Å
203	H	54.1	Low	48.3	Very low	42 Å²	42	70 Å²	70	19%	0.194	36%	0.363	C	S	.	.	H	α-helix	trans	-58.9	-47.5	176.8	176.8	91.3	0	0	0	112	P125 G199 F200 H201 Y207	P125-H203 WeakPolarHBondContact CB-CE1 3.21Å; P125-H203 WeakPolarHBondContact CG-ND1 3.38Å; G199-H203 PolarHBondContact O-N 2.94Å; F200-H203 PolarHBondContact O-N 3.21Å; H201-H203 VanDerWaalsContact C-N 3.26Å; H201-H203 PolarHBondContact O-N 3.07Å; H203-Y207 WeakPolarHBondContact O-CD2 3.36Å
204	V	54.3	Low	47.7	Very low	4 Å²	4	72.7 Å²	72.7	2%	0.024	38%	0.378	C	S	.	.	H	α-helix	trans	-74.4	-36.1	-175.2	175.8	0	0	0	0	112.3	F63 W192 F200 H201 V202 N206 Y207 F208	F63-V204 HydrophobicContact CE1-CG1 4.41Å; F63-V204 HydrophobicContact CE1-CG2 3.75Å; F63-V204 HydrophobicContact CZ-CG1 3.81Å; F63-V204 HydrophobicContact CZ-CG2 3.95Å; W192-V204 HydrophobicContact CH2-CB 4.48Å; W192-V204 HydrophobicContact CH2-CG1 3.13Å; W192-V204 HydrophobicContact CZ2-CG1 3.96Å; W192-V204 HydrophobicContact CZ3-CG1 3.53Å; F200-V204 HydrophobicContact CD1-CG2 4.04Å; F200-V204 HydrophobicContact CD2-CG2 4.42Å; F200-V204 HydrophobicContact CE1-CG2 3.71Å; F200-V204 HydrophobicContact CE2-CG2 4.12Å; F200-V204 HydrophobicContact CG-CG2 4.4Å; F200-V204 HydrophobicContact CZ-CG2 3.77Å; F200-V204 VanDerWaalsContact O-CG2 3.28Å; F200-V204 WeakPolarHBondContact O-CG2 3.2Å; F200-V204 PolarHBondContact O-N 3.36Å; H201-V204 PolarHBondContact O-N 3.32Å; H201-V204 VanDerWaalsContact O-N 3.17Å; V202-V204 PolarHBondContact O-N 3.21Å; V204-N206 PolarHBondContact O-N 3.39Å; V204-Y207 PolarHBondContact O-N 3.09Å; V204-F208 HydrophobicContact CG1-CD2 3.29Å; V204-F208 HydrophobicContact CG1-CE2 3.56Å; V204-F208 HydrophobicContact CG1-CG 4.35Å; V204-F208 WeakPolarHBondContact O-CD2 3.32Å; V204-F208 PolarHBondContact O-N 3.47Å; V204-F208 VanDerWaalsContact O-N 3.08Å
205	K	54.1	Low	47.5	Very low	96 Å²	96	73.9 Å²	73.9	42%	0.417	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-30.2	180	-173.4	-178	-179.4	179	0	113.3	H201 Y207	H201-K205 WeakPolarHBondContact O-CB 3.39Å; H201-K205 PolarHBondContact O-N 2.99Å; K205-Y207 PolarHBondContact O-N 3.41Å
206	N	54.5	Low	47.3	Very low	128 Å²	128	78.9 Å²	78.9	68%	0.684	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-21.1	178.3	-70.4	-8.2	0	0	0	112.9	V204	V204-N206 PolarHBondContact O-N 3.39Å
207	Y	52.9	Low	46.9	Very low	86 Å²	86	84.4 Å²	84.4	34%	0.337	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-30.9	-178.5	-68.7	-76.7	0	0	0	114.1	F67 P125 H203 V204 K205	F67-Y207 HydrophobicContact CE1-CD2 4.32Å; F67-Y207 HydrophobicContact CE1-CE2 4.19Å; F67-Y207 HydrophobicContact CE2-CD1 4.14Å; F67-Y207 HydrophobicContact CE2-CD2 4.14Å; F67-Y207 AromaticContact CE2-CG 3.8Å; F67-Y207 HydrophobicContact CE2-CG 3.8Å; F67-Y207 AromaticContact CZ-CD1 3.65Å; F67-Y207 HydrophobicContact CZ-CD1 3.65Å; F67-Y207 AromaticContact CZ-CD2 3.51Å; F67-Y207 HydrophobicContact CZ-CD2 3.51Å; F67-Y207 AromaticContact CZ-CE1 3.86Å; F67-Y207 HydrophobicContact CZ-CE1 3.86Å; F67-Y207 AromaticContact CZ-CE2 3.7Å; F67-Y207 HydrophobicContact CZ-CE2 3.7Å; F67-Y207 AromaticContact CZ-CG 3.46Å; F67-Y207 HydrophobicContact CZ-CG 3.46Å; F67-Y207 VanDerWaalsContact CZ-CG 3.46Å; F67-Y207 AromaticContact CZ-CZ 3.87Å; P125-Y207 HydrophobicContact CB-CE2 4.3Å; P125-Y207 HydrophobicContact CG-CE2 4.44Å; P125-Y207 PolarHBondContact O-OH 3.47Å; H203-Y207 WeakPolarHBondContact O-CD2 3.36Å; V204-Y207 PolarHBondContact O-N 3.09Å; K205-Y207 PolarHBondContact O-N 3.41Å
208	F	47.7	Very low	46.1	Very low	36 Å²	36	87 Å²	87	16%	0.158	45%	0.448	C	S	.	.	S	Bend	trans	-88.8	132.8	172.9	-69.3	-89.5	0	0	0	108.3	F63 F188 W192 V204 T210	F63-F208 HydrophobicContact CE2-CE2 4.35Å; F63-F208 HydrophobicContact CE2-CZ 4.32Å; F63-F208 AromaticContact CZ-CE2 3.68Å; F63-F208 HydrophobicContact CZ-CE2 3.68Å; F63-F208 HydrophobicContact CZ-CZ 4.03Å; F188-F208 HydrophobicContact CB-CE1 3.94Å; F188-F208 HydrophobicContact CB-CZ 4.46Å; F188-F208 AromaticContact CD1-CE1 3.77Å; F188-F208 HydrophobicContact CD1-CE1 3.77Å; F188-F208 AromaticContact CD1-CZ 3.42Å; F188-F208 HydrophobicContact CD1-CZ 3.42Å; F188-F208 VanDerWaalsContact CD1-CZ 3.42Å; F188-F208 AromaticContact CE1-CZ 3.9Å; F188-F208 HydrophobicContact CE1-CZ 3.9Å; F188-F208 HydrophobicContact CG-CE1 4.11Å; F188-F208 HydrophobicContact CG-CZ 4.2Å; W192-F208 AromaticContact CH2-CD2 3.82Å; W192-F208 HydrophobicContact CH2-CD2 3.82Å; W192-F208 AromaticContact CH2-CE2 3.88Å; W192-F208 HydrophobicContact CH2-CE2 3.88Å; W192-F208 HydrophobicContact CH2-CG 4.16Å; W192-F208 HydrophobicContact CH2-CZ 4.23Å; W192-F208 HydrophobicContact CZ2-CB 4.48Å; W192-F208 HydrophobicContact CZ2-CD1 4.28Å; W192-F208 HydrophobicContact CZ2-CD2 4.1Å; W192-F208 AromaticContact CZ2-CG 3.99Å; W192-F208 HydrophobicContact CZ2-CG 3.99Å; V204-F208 HydrophobicContact CG1-CD2 3.29Å; V204-F208 HydrophobicContact CG1-CE2 3.56Å; V204-F208 HydrophobicContact CG1-CG 4.35Å; V204-F208 WeakPolarHBondContact O-CD2 3.32Å; V204-F208 PolarHBondContact O-N 3.47Å; V204-F208 VanDerWaalsContact O-N 3.08Å; F208-T210 PolarHBondContact O-N 2.99Å
209	N	47.2	Very low	45.3	Very low	128 Å²	128	84.2 Å²	84.2	68%	0.684	44%	0.436	S	S	*	.			trans	-42.8	138.5	179.1	-159.4	-3.2	0	0	0	110.7	S211	N209-S211 PolarHBondContact O-N 2.88Å
210	T	42.6	Very low	44.6	Very low	115 Å²	115	84.8 Å²	84.8	71%	0.706	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-2.5	-167.2	40.6	0	0	0	0	116	F208 V212	F208-T210 PolarHBondContact O-N 2.99Å; T210-V212 VanDerWaalsContact C-N 3.28Å; T210-V212 PolarHBondContact O-N 3.35Å
211	S	39.3	Very low	43.9	Very low	88 Å²	88	88 Å²	88	62%	0.615	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.2	-177.1	52.5	0	0	0	0	115.2	N209 K213	N209-S211 PolarHBondContact O-N 2.88Å; S211-K213 PolarHBondContact O-N 3.36Å
212	V	39.7	Very low	43.6	Very low	29 Å²	29	88.6 Å²	88.6	18%	0.176	46%	0.463	C	S	.	.			trans	-82.1	98.7	176.4	-176.4	0	0	0	0	110.1	W192 T210	W192-V212 HydrophobicContact CG-CG1 4.37Å; T210-V212 VanDerWaalsContact C-N 3.28Å; T210-V212 PolarHBondContact O-N 3.35Å
213	K	38.3	Very low	43.7	Very low	201 Å²	201	94.5 Å²	94.5	87%	0.874	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-77.3	128.4	165.5	-74	-173.8	177.6	-178.1	0	109.4	S211	S211-K213 PolarHBondContact O-N 3.36Å
214	L	35.5	Very low	44.2	Very low	77 Å²	77	96.4 Å²	96.4	40%	0.403	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-76.2	128.1	161.8	-71.6	174.8	0	0	0	108.2	H201	H201-L214 HydrophobicContact CB-CD1 4.19Å; H201-L214 WeakPolarHBondContact CD2-CD1 3.26Å; H201-L214 VanDerWaalsContact CE1-CD1 3.47Å; H201-L214 WeakPolarHBondContact CE1-CD1 3.36Å; H201-L214 WeakPolarHBondContact CE1-CG 3.24Å; H201-L214 WeakPolarHBondContact ND1-CD2 3.22Å; H201-L214 WeakPolarHBondContact NE2-CD1 3.42Å
215	D	38	Very low	44.9	Very low	91 Å²	91	96.6 Å²	96.6	49%	0.487	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-91.6	118.3	154.7	-179.7	-9.5	0	0	0	106.4	N217 D218	D215-N217 PolarHBondContact O-N 2.94Å; D215-N217 WeakPolarHBondContact OD1-CB 3.25Å; D215-N217 PolarHBondContact OD1-N 3.45Å; D215-D218 HydrophobicContact CB-CB 3.85Å; D215-D218 PolarHBondContact O-N 2.91Å; D215-D218 VanDerWaalsContact O-N 3.09Å
216	D	39.6	Very low	45.8	Very low	128 Å²	128	99.9 Å²	99.9	68%	0.684	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.1	-178.8	-72.5	-37.4	0	0	0	112.6	F219	D216-F219 VanDerWaalsContact O-CE2 3.24Å; D216-F219 WeakPolarHBondContact O-CE2 3.36Å
217	N	39.5	Very low	47.1	Very low	141 Å²	141	96.9 Å²	96.9	75%	0.754	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-15	178.2	-59.8	-51.6	0	0	0	113.8	D215 F219	D215-N217 PolarHBondContact O-N 2.94Å; D215-N217 WeakPolarHBondContact OD1-CB 3.25Å; D215-N217 PolarHBondContact OD1-N 3.45Å; N217-F219 VanDerWaalsContact C-N 3.31Å; N217-F219 PolarHBondContact O-N 3.01Å; N217-F219 VanDerWaalsContact O-N 3.15Å
218	D	32.7	Very low	48.6	Very low	118 Å²	118	95.4 Å²	95.4	63%	0.631	49%	0.494	S	S	*	.			trans	-96	59.1	-171.6	-127	6.8	0	0	0	110.9	D215 G220	D215-D218 HydrophobicContact CB-CB 3.85Å; D215-D218 PolarHBondContact O-N 2.91Å; D215-D218 VanDerWaalsContact O-N 3.09Å; D218-G220 PolarHBondContact O-N 2.87Å
219	F	32.5	Very low	50.4	Low	124 Å²	124	94 Å²	94	54%	0.544	49%	0.488	S	S	.	.			trans	-73.3	68	161.9	-67.1	-78.6	0	0	0	109.1	I194 D216 N217 M221	I194-F219 HydrophobicContact CG1-CB 4.14Å; D216-F219 VanDerWaalsContact O-CE2 3.24Å; D216-F219 WeakPolarHBondContact O-CE2 3.36Å; N217-F219 VanDerWaalsContact C-N 3.31Å; N217-F219 PolarHBondContact O-N 3.01Å; N217-F219 VanDerWaalsContact O-N 3.15Å; F219-M221 PolarHBondContact O-N 2.97Å
220	G	36.7	Very low	52.2	Low	21 Å²	21	91.2 Å²	91.2	22%	0.216	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-59.4	137.4	170.4	0	0	0	0	0	108.9	F193 I194 D218	F193-G220 VanDerWaalsContact CA-O 3.32Å; F193-G220 WeakPolarHBondContact CA-O 3.31Å; F193-G220 WeakPolarHBondContact CB-O 3.42Å; F193-G220 WeakPolarHBondContact CD1-O 3.28Å; F193-G220 WeakPolarHBondContact CG-O 3.3Å; I194-G220 PolarHBondContact N-O 3.43Å; D218-G220 PolarHBondContact O-N 2.87Å
221	M	38.5	Very low	54.1	Low	97 Å²	97	85.7 Å²	85.7	48%	0.478	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-75.7	119.3	145.1	-74.4	-72.5	-98.4	0	0	103.8	I194 F219	I194-M221 HydrophobicContact CB-SD 3.73Å; I194-M221 HydrophobicContact CD1-CG 3.43Å; I194-M221 VanDerWaalsContact CD1-CG 3.43Å; I194-M221 HydrophobicContact CD1-SD 3.57Å; I194-M221 VanDerWaalsContact CD1-SD 3.57Å; I194-M221 HydrophobicContact CG1-CG 4.01Å; I194-M221 HydrophobicContact CG1-SD 3.8Å; I194-M221 HydrophobicContact CG2-SD 4.28Å; F219-M221 PolarHBondContact O-N 2.97Å
222	D	45.4	Very low	56.5	Low	35 Å²	35	81.5 Å²	81.5	19%	0.187	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-53	149.8	160.5	-145.5	-2.7	0	0	0	107.7	F193 L224	F193-D222 HydrophobicContact CD1-CB 4.2Å; F193-D222 HydrophobicContact CD2-CB 3.6Å; F193-D222 HydrophobicContact CE1-CB 3.89Å; F193-D222 HydrophobicContact CE2-CB 3.29Å; F193-D222 WeakPolarHBondContact CE2-OD2 3.38Å; F193-D222 HydrophobicContact CG-CB 3.97Å; F193-D222 HydrophobicContact CZ-CB 3.35Å; F193-D222 WeakPolarHBondContact CZ-OD1 3.44Å; D222-L224 PolarHBondContact O-N 2.85Å; D222-L224 VanDerWaalsContact O-N 3.13Å
223	Y	54.3	Low	58.6	Low	199 Å²	199	81.8 Å²	81.8	78%	0.78	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60.2	126.4	170.8	-65.3	-83.9	0	0	0	107.1	D225	Y223-D225 PolarHBondContact O-N 2.97Å
224	L	64.1	Low	60.7	Low	82 Å²	82	73.5 Å²	73.5	43%	0.429	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-51.1	142.5	173	-56.3	174.3	0	0	0	108.1	Y182 D222 E226	Y182-L224 WeakPolarHBondContact O-CB 3.17Å; Y182-L224 VanDerWaalsContact O-CD2 3.26Å; Y182-L224 WeakPolarHBondContact O-CD2 3.17Å; D222-L224 PolarHBondContact O-N 2.85Å; D222-L224 VanDerWaalsContact O-N 3.13Å; L224-E226 PolarHBondContact O-N 2.78Å
225	D	70.9	Confident	63	Low	8 Å²	8	69.9 Å²	69.9	4%	0.043	35%	0.35	C	S	.	.			trans	-45	127.4	178.4	-171.3	2.9	0	0	0	110.6	Y182 L183 Y223 V227 R230 C231	Y182-D225 WeakPolarHBondContact CD1-O 3.04Å; L183-D225 PolarHBondContact O-N 2.95Å; Y223-D225 PolarHBondContact O-N 2.97Å; D225-V227 PolarHBondContact O-N 2.04Å; D225-V227 PolarHBondContact OD1-N 3.11Å; D225-V227 VanDerWaalsContact OD1-N 3.14Å; D225-R230 IonicContact OD1-CZ 3.51Å; D225-R230 VanDerWaalsContact OD1-CZ 3.26Å; D225-R230 IonicContact OD1-NE 3.66Å; D225-R230 PolarHBondContact OD1-NE 2.71Å; D225-R230 VanDerWaalsContact OD1-NE 3.08Å; D225-R230 IonicContact OD1-NH2 3.6Å; D225-R230 PolarHBondContact OD1-NH2 3.02Å; D225-R230 VanDerWaalsContact OD2-CB 3.3Å; D225-R230 WeakPolarHBondContact OD2-CB 3.38Å; D225-R230 IonicContact OD2-NE 2.82Å; D225-C231 HydrophobicContact CB-CB 4.01Å; D225-C231 VanDerWaalsContact OD2-CB 3.27Å; D225-C231 WeakPolarHBondContact OD2-CB 3.25Å; D225-C231 PolarHBondContact OD2-N 3.29Å
226	E	72.1	Confident	65.3	Low	166 Å²	166	65.5 Å²	65.5	78%	0.776	33%	0.327	S	S	*	.	S	Bend	trans	-72.1	-26.2	179.7	-62.2	-176.7	170.4	0	0	111.6	L224	L224-E226 PolarHBondContact O-N 2.78Å
227	V	80.8	Confident	67.3	Low	65 Å²	65	59.7 Å²	59.7	39%	0.394	30%	0.296	S	S	.	.	S	Bend	trans	-98	121.3	-177.6	-178.2	0	0	0	0	109.4	D225 F229 R230	D225-V227 PolarHBondContact O-N 2.04Å; D225-V227 PolarHBondContact OD1-N 3.11Å; D225-V227 VanDerWaalsContact OD1-N 3.14Å; V227-F229 PolarHBondContact O-N 3.04Å; V227-R230 HydrophobicContact CB-CB 3.9Å; V227-R230 HydrophobicContact CG1-CB 3.82Å; V227-R230 PolarHBondContact O-N 3.21Å
228	P	85.2	Confident	68.9	Low	55 Å²	55	53.6 Å²	53.6	36%	0.357	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	127.6	179	-28.8	35.9	0	0	0	113.2	R181 Y182 R230	R181-P228 HydrophobicContact CG-CB 3.91Å; R181-P228 CarbonylContact O-C 3.52Å; R181-P228 WeakPolarHBondContact O-CA 3.45Å; Y182-P228 HydrophobicContact CE1-CB 4.36Å; Y182-P228 HydrophobicContact CE1-CG 3.83Å; P228-R230 PolarHBondContact O-N 3.4Å
229	F	86	Confident	70.7	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.026	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-2.1	173.7	-51.4	-78.2	0	0	0	116.1	T173 Q176 L180 R181 V227 C231 A232 L233 L272	T173-F229 HydrophobicContact CG2-CB 4.18Å; T173-F229 HydrophobicContact CG2-CD1 4.23Å; Q176-F229 HydrophobicContact CB-CE1 4.21Å; Q176-F229 HydrophobicContact CB-CE2 4.17Å; Q176-F229 HydrophobicContact CB-CZ 3.69Å; Q176-F229 HydrophobicContact CG-CE2 4.27Å; Q176-F229 HydrophobicContact CG-CZ 4.24Å; L180-F229 HydrophobicContact CB-CD1 4.23Å; L180-F229 HydrophobicContact CB-CE1 4.32Å; R181-F229 HydrophobicContact CB-CD1 4.41Å; R181-F229 HydrophobicContact CB-CE1 3.92Å; R181-F229 HydrophobicContact CB-CE2 4.4Å; R181-F229 HydrophobicContact CB-CZ 3.91Å; R181-F229 HydrophobicContact CG-CE2 4.14Å; R181-F229 HydrophobicContact CG-CZ 4.12Å; R181-F229 PolarHBondContact O-N 3.44Å; V227-F229 PolarHBondContact O-N 3.04Å; F229-C231 VanDerWaalsContact C-N 3.32Å; F229-C231 PolarHBondContact O-N 2.77Å; F229-A232 PolarHBondContact O-N 2.01Å; F229-A232 VanDerWaalsContact O-N 3.16Å; F229-L233 HydrophobicContact CB-CD1 4.32Å; F229-L233 HydrophobicContact CB-CG 4.39Å; F229-L233 WeakPolarHBondContact O-CB 3.4Å; F229-L233 VanDerWaalsContact O-CG 3.23Å; F229-L233 WeakPolarHBondContact O-CG 3Å; F229-L233 PolarHBondContact O-N 3.23Å; F229-L272 HydrophobicContact CB-CD1 4.32Å; F229-L272 HydrophobicContact CB-CD2 4.4Å; F229-L272 HydrophobicContact CD2-CD1 3.85Å; F229-L272 HydrophobicContact CG-CD1 4.31Å
230	R	84.1	Confident	72	Confident	69 Å²	69	43.9 Å²	43.9	26%	0.26	22%	0.219	S	C	.	.	H	α-helix	trans	-59.2	-45.3	-176.2	169.6	-176.3	67.7	174.2	1.4	111.2	D225 V227 P228 F234 L247	D225-R230 IonicContact OD1-CZ 3.51Å; D225-R230 VanDerWaalsContact OD1-CZ 3.26Å; D225-R230 IonicContact OD1-NE 3.66Å; D225-R230 PolarHBondContact OD1-NE 2.71Å; D225-R230 VanDerWaalsContact OD1-NE 3.08Å; D225-R230 IonicContact OD1-NH2 3.6Å; D225-R230 PolarHBondContact OD1-NH2 3.02Å; D225-R230 VanDerWaalsContact OD2-CB 3.3Å; D225-R230 WeakPolarHBondContact OD2-CB 3.38Å; D225-R230 IonicContact OD2-NE 2.82Å; V227-R230 HydrophobicContact CB-CB 3.9Å; V227-R230 HydrophobicContact CG1-CB 3.82Å; V227-R230 PolarHBondContact O-N 3.21Å; P228-R230 PolarHBondContact O-N 3.4Å; R230-F234 WeakPolarHBondContact O-CB 3.41Å; R230-F234 PolarHBondContact O-N 3.27Å; R230-L247 HydrophobicContact CG-CD1 3.95Å; R230-L247 HydrophobicContact CG-CG 4.19Å
231	C	84.2	Confident	73.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-47.4	174.9	-157	0	0	0	0	112.8	L183 C186 D225 F229 F234 S235	L183-C231 HydrophobicContact CB-CB 4.29Å; C186-C231 WeakPolarHBondContact CA-SG 3.45Å; C186-C231 HydrophobicContact CB-CB 3.98Å; C186-C231 WeakPolarHBondContact CB-SG 3.23Å; C186-C231 WeakPolarHBondContact SG-CB 3.35Å; C186-C231 CovalentContact SG-SG 2.04Å; C186-C231 PolarHBondContact SG-SG 3.08Å; D225-C231 HydrophobicContact CB-CB 4.01Å; D225-C231 VanDerWaalsContact OD2-CB 3.27Å; D225-C231 WeakPolarHBondContact OD2-CB 3.25Å; D225-C231 PolarHBondContact OD2-N 3.29Å; F229-C231 VanDerWaalsContact C-N 3.32Å; F229-C231 PolarHBondContact O-N 2.77Å; C231-F234 PolarHBondContact O-N 3.24Å; C231-S235 VanDerWaalsContact O-CB 3.23Å; C231-S235 WeakPolarHBondContact O-CB 3.42Å; C231-S235 PolarHBondContact O-N 3.29Å; C231-S235 PolarHBondContact O-OG 3.27Å
232	A	88.1	Confident	74.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-43.9	-179.5	0	0	0	0	0	111.1	T173 L180 L183 F229 S235 F236	T173-A232 HydrophobicContact CG2-CB 3.47Å; T173-A232 VanDerWaalsContact CG2-CB 3.47Å; L180-A232 HydrophobicContact CB-CB 4.16Å; L180-A232 WeakPolarHBondContact O-CB 3.45Å; L183-A232 HydrophobicContact CD1-CB 3.63Å; F229-A232 PolarHBondContact O-N 2.01Å; F229-A232 VanDerWaalsContact O-N 3.16Å; A232-S235 PolarHBondContact O-N 3.22Å; A232-F236 HydrophobicContact CB-CD2 4.16Å; A232-F236 HydrophobicContact CB-CE2 4.35Å; A232-F236 WeakPolarHBondContact O-CB 3.34Å; A232-F236 VanDerWaalsContact O-CD2 3.29Å; A232-F236 WeakPolarHBondContact O-CD2 2.92Å; A232-F236 PolarHBondContact O-N 3.04Å
233	L	85.2	Confident	75.8	Confident	34 Å²	34	41.5 Å²	41.5	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-50.3	174.5	-71.4	168.7	0	0	0	111	T173 L174 F229 S235 C237 L270 L272	T173-L233 HydrophobicContact CG2-CD2 3.93Å; T173-L233 HydrophobicContact CG2-CG 3.96Å; L174-L233 HydrophobicContact CD2-CD2 3.89Å; F229-L233 HydrophobicContact CB-CD1 4.32Å; F229-L233 HydrophobicContact CB-CG 4.39Å; F229-L233 WeakPolarHBondContact O-CB 3.4Å; F229-L233 VanDerWaalsContact O-CG 3.23Å; F229-L233 WeakPolarHBondContact O-CG 3Å; F229-L233 PolarHBondContact O-N 3.23Å; L233-S235 PolarHBondContact O-N 3.07Å; L233-C237 HydrophobicContact CD2-CB 4.45Å; L233-C237 WeakPolarHBondContact O-CA 3.42Å; L233-C237 WeakPolarHBondContact O-CB 3.42Å; L233-C237 PolarHBondContact O-N 2.68Å; L233-L270 HydrophobicContact CD2-CD2 3.93Å; L233-L272 HydrophobicContact CD1-CD2 4.23Å; L233-L272 HydrophobicContact CD2-CD2 3.96Å; L233-L272 HydrophobicContact CG-CD2 4.38Å
234	F	81.9	Confident	76.5	Confident	28 Å²	28	35.4 Å²	35.4	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-37.3	176.3	174.1	-120.3	0	0	0	112.6	R66 R230 C231 R244 L247	R66-F234 VanDerWaalsContact CD-CE1 3.45Å; R230-F234 WeakPolarHBondContact O-CB 3.41Å; R230-F234 PolarHBondContact O-N 3.27Å; C231-F234 PolarHBondContact O-N 3.24Å; F234-R244 VanDerWaalsContact CD2-CD 3.47Å; F234-R244 HydrophobicContact CD2-CG 3.78Å; F234-R244 HydrophobicContact CE2-CG 3.86Å; F234-L247 HydrophobicContact CB-CD1 3.64Å; F234-L247 HydrophobicContact CD1-CB 4.29Å; F234-L247 HydrophobicContact CD1-CD1 3.63Å; F234-L247 HydrophobicContact CE1-CB 4.4Å; F234-L247 HydrophobicContact CE1-CD1 4.49Å; F234-L247 HydrophobicContact CG-CD1 3.8Å
235	S	82.7	Confident	76.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-78.5	-51.5	-174	-55.3	0	0	0	0	112.5	V65 R66 K69 C231 A232 L233	V65-S235 WeakPolarHBondContact CG1-O 3.16Å; R66-S235 PolarHBondContact NH1-OG 2.99Å; K69-S235 PolarHBondContact NZ-O 2.72Å; C231-S235 VanDerWaalsContact O-CB 3.23Å; C231-S235 WeakPolarHBondContact O-CB 3.42Å; C231-S235 PolarHBondContact O-N 3.29Å; C231-S235 PolarHBondContact O-OG 3.27Å; A232-S235 PolarHBondContact O-N 3.22Å; L233-S235 PolarHBondContact O-N 3.07Å
236	F	86.4	Confident	76.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-98.3	-33.3	-169.1	-55	-53.4	0	0	0	112.4	T58 T61 A62 V65 K69 S166 M169 C170 L180 L183 A232	T58-F236 HydrophobicContact CG2-CZ 4.49Å; T61-F236 HydrophobicContact CG2-CE1 3.94Å; T61-F236 HydrophobicContact CG2-CZ 4.42Å; A62-F236 HydrophobicContact CB-CE1 3.92Å; A62-F236 HydrophobicContact CB-CE2 4.29Å; A62-F236 HydrophobicContact CB-CZ 3.55Å; V65-F236 HydrophobicContact CB-CD1 4.07Å; V65-F236 HydrophobicContact CB-CE1 4.39Å; V65-F236 HydrophobicContact CG1-CD1 4.24Å; V65-F236 HydrophobicContact CG2-CD1 4Å; V65-F236 HydrophobicContact CG2-CE1 4.15Å; K69-F236 PolarHBondContact NZ-O 3.43Å; S166-F236 PolarHBondContact OG-O 3.23Å; M169-F236 HydrophobicContact CB-CB 3.8Å; M169-F236 HydrophobicContact CB-CD1 3.41Å; M169-F236 VanDerWaalsContact CB-CD1 3.41Å; M169-F236 HydrophobicContact CB-CD2 3.89Å; M169-F236 HydrophobicContact CB-CE1 3.84Å; M169-F236 HydrophobicContact CB-CE2 4.28Å; M169-F236 HydrophobicContact CB-CG 3.43Å; M169-F236 VanDerWaalsContact CB-CG 3.43Å; M169-F236 HydrophobicContact CB-CZ 4.26Å; M169-F236 HydrophobicContact CE-CE1 4.16Å; M169-F236 HydrophobicContact CE-CE2 3.88Å; M169-F236 HydrophobicContact CE-CZ 3.66Å; M169-F236 HydrophobicContact CG-CD1 4.13Å; M169-F236 HydrophobicContact CG-CE1 4.13Å; C170-F236 HydrophobicContact CB-CB 4.14Å; L180-F236 HydrophobicContact CD2-CE2 3.84Å; L183-F236 HydrophobicContact CD1-CE2 3.58Å; L183-F236 HydrophobicContact CD1-CZ 4.23Å; A232-F236 HydrophobicContact CB-CD2 4.16Å; A232-F236 HydrophobicContact CB-CE2 4.35Å; A232-F236 WeakPolarHBondContact O-CB 3.34Å; A232-F236 VanDerWaalsContact O-CD2 3.29Å; A232-F236 WeakPolarHBondContact O-CD2 2.92Å; A232-F236 PolarHBondContact O-N 3.04Å
237	C	82	Confident	76.4	Confident	6 Å²	6	35 Å²	35	4%	0.041	18%	0.184	C	C	.	.	S	Bend	trans	-88.9	151.8	-177	-59.8	0	0	0	0	112.5	K69 C170 L233 L270	K69-C237 PolarHBondContact NZ-O 3.39Å; C170-C237 WeakPolarHBondContact CA-SG 3.33Å; C170-C237 HydrophobicContact CB-CB 3.99Å; C170-C237 WeakPolarHBondContact CB-SG 3.44Å; C170-C237 WeakPolarHBondContact SG-CA 3.42Å; C170-C237 WeakPolarHBondContact SG-CB 3.19Å; C170-C237 CovalentContact SG-SG 2.04Å; C170-C237 PolarHBondContact SG-SG 3.18Å; L233-C237 HydrophobicContact CD2-CB 4.45Å; L233-C237 WeakPolarHBondContact O-CA 3.42Å; L233-C237 WeakPolarHBondContact O-CB 3.42Å; L233-C237 PolarHBondContact O-N 2.68Å; C237-L270 HydrophobicContact CB-CD2 3.32Å; C237-L270 VanDerWaalsContact SG-CD2 3.57Å
238	P	73.4	Confident	75.9	Confident	13 Å²	13	36.4 Å²	36.4	8%	0.084	19%	0.192	C	C	.	.			trans	-77	164.2	170.4	33.3	-24.9	0	0	0	108.6	F86 P240 L286	F86-P238 HydrophobicContact CD2-CB 3.4Å; F86-P238 HydrophobicContact CD2-CG 3.38Å; F86-P238 HydrophobicContact CE2-CB 3.36Å; F86-P238 VanDerWaalsContact CE2-CD 3.41Å; F86-P238 HydrophobicContact CE2-CG 3.37Å; F86-P238 HydrophobicContact CG-CB 4.16Å; F86-P238 HydrophobicContact CG-CG 4.49Å; F86-P238 HydrophobicContact CZ-CB 4.08Å; F86-P238 HydrophobicContact CZ-CG 4.46Å; P238-P240 WeakPolarHBondContact O-CD 3.13Å; P238-L286 HydrophobicContact CG-CB 3.36Å; P238-L286 HydrophobicContact CG-CD1 3.71Å; P238-L286 HydrophobicContact CG-CD2 4.38Å; P238-L286 HydrophobicContact CG-CG 4Å
239	D	69.5	Low	75.2	Confident	15 Å²	15	35.9 Å²	35.9	8%	0.08	19%	0.185	C	C	.	.			trans	-104	98.8	168.1	175.7	10.5	0	0	0	109.1	H84 C241 C242 N243 R244 Q249	H84-D239 VanDerWaalsContact CA-O 3.29Å; H84-D239 WeakPolarHBondContact CA-O 3.37Å; D239-C241 PolarHBondContact O-N 3.06Å; D239-C241 PolarHBondContact OD1-N 2.82Å; D239-C242 VanDerWaalsContact CG-N 3.34Å; D239-C242 PolarHBondContact OD1-N 2.93Å; D239-C242 PolarHBondContact OD1-SG 2.74Å; D239-C242 WeakPolarHBondContact OD2-CA 3.1Å; D239-C242 WeakPolarHBondContact OD2-CB 3.17Å; D239-C242 PolarHBondContact OD2-N 3.37Å; D239-C242 PolarHBondContact OD2-SG 2.75Å; D239-N243 PolarHBondContact OD2-N 2.77Å; D239-N243 VanDerWaalsContact OD2-N 3.11Å; D239-R244 HydrophobicContact CB-CB 3.49Å; D239-R244 VanDerWaalsContact CB-CB 3.49Å; D239-R244 WeakPolarHBondContact OD2-CA 3.37Å; D239-R244 WeakPolarHBondContact OD2-CB 3.35Å; D239-R244 PolarHBondContact OD2-N 2.71Å; D239-Q249 PolarHBondContact OD2-NE2 2.78Å
240	P	60.5	Low	74.6	Confident	22 Å²	22	41 Å²	41	14%	0.143	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.7	-169.8	29.8	-37.3	0	0	0	113.6	P238 N287	P238-P240 WeakPolarHBondContact O-CD 3.13Å; P240-N287 HydrophobicContact CB-CB 4.48Å; P240-N287 WeakPolarHBondContact CB-O 3.45Å
241	C	65.7	Low	74.1	Confident	6 Å²	6	41.4 Å²	41.4	4%	0.041	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-20.4	-165.7	-65.1	0	0	0	0	114	D239 C252 N258 C268	D239-C241 PolarHBondContact O-N 3.06Å; D239-C241 PolarHBondContact OD1-N 2.82Å; C241-C252 HydrophobicContact CB-CB 4.18Å; C241-C252 WeakPolarHBondContact CB-SG 3.36Å; C241-N258 HydrophobicContact CB-CB 4.08Å; C241-N258 PolarHBondContact SG-ND2 3.26Å; C241-C268 PolarHBondContact SG-O 3.45Å
242	C	65.8	Low	73.7	Confident	31 Å²	31	42.1 Å²	42.1	21%	0.209	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	5.1	-175.7	7.3	0	0	0	0	116.8	D239 R244 Q249 C252	D239-C242 VanDerWaalsContact CG-N 3.34Å; D239-C242 PolarHBondContact OD1-N 2.93Å; D239-C242 PolarHBondContact OD1-SG 2.74Å; D239-C242 WeakPolarHBondContact OD2-CA 3.1Å; D239-C242 WeakPolarHBondContact OD2-CB 3.17Å; D239-C242 PolarHBondContact OD2-N 3.37Å; D239-C242 PolarHBondContact OD2-SG 2.75Å; C242-R244 VanDerWaalsContact C-N 3.27Å; C242-R244 PolarHBondContact O-N 3.49Å; C242-Q249 PolarHBondContact SG-NE2 3.27Å; C242-C252 HydrophobicContact CB-CB 3.46Å; C242-C252 VanDerWaalsContact CB-CB 3.46Å; C242-C252 WeakPolarHBondContact CB-SG 3.37Å; C242-C252 PolarHBondContact N-SG 3.39Å; C242-C252 VanDerWaalsContact N-SG 3.36Å; C242-C252 WeakPolarHBondContact SG-CB 3.46Å; C242-C252 CovalentContact SG-SG 2.01Å; C242-C252 PolarHBondContact SG-SG 2.91Å
243	N	69.5	Low	73	Confident	66 Å²	66	43.7 Å²	43.7	35%	0.353	25%	0.245	S	C	.	.			trans	50.9	45.4	-177.6	-171	55.2	0	0	0	112.5	R83 H84 D239 T245	R83-N243 VanDerWaalsContact CB-OD1 3.25Å; R83-N243 WeakPolarHBondContact CB-OD1 3.24Å; R83-N243 PolarHBondContact N-OD1 2.93Å; H84-N243 HydrophobicContact CB-CB 4.28Å; D239-N243 PolarHBondContact OD2-N 2.77Å; D239-N243 VanDerWaalsContact OD2-N 3.11Å; N243-T245 WeakPolarHBondContact O-CG2 3.29Å; N243-T245 PolarHBondContact O-N 2.97Å
244	R	68.2	Low	72.7	Confident	72 Å²	72	51 Å²	51	27%	0.272	27%	0.272	S	S	.	.			trans	-43.4	124.2	-172.3	-171.3	168.2	-65.3	-172.3	1.5	113.6	R83 F234 D239 C242 Q246 Q249	R83-R244 PolarHBondContact NH1-O 2.91Å; F234-R244 VanDerWaalsContact CD2-CD 3.47Å; F234-R244 HydrophobicContact CD2-CG 3.78Å; F234-R244 HydrophobicContact CE2-CG 3.86Å; D239-R244 HydrophobicContact CB-CB 3.49Å; D239-R244 VanDerWaalsContact CB-CB 3.49Å; D239-R244 WeakPolarHBondContact OD2-CA 3.37Å; D239-R244 WeakPolarHBondContact OD2-CB 3.35Å; D239-R244 PolarHBondContact OD2-N 2.71Å; C242-R244 VanDerWaalsContact C-N 3.27Å; C242-R244 PolarHBondContact O-N 3.49Å; R244-Q246 WeakPolarHBondContact CD-O 3.24Å; R244-Q246 WeakPolarHBondContact CG-O 3.29Å; R244-Q249 VanDerWaalsContact CB-OE1 3.22Å; R244-Q249 VanDerWaalsContact CG-CD 3.42Å; R244-Q249 HydrophobicContact CG-CG 4.22Å
245	T	68.3	Low	72.5	Confident	84 Å²	84	52.1 Å²	52.1	52%	0.515	28%	0.279	S	S	.	.			trans	-110.6	-20.3	174.3	58.7	0	0	0	0	113.4	N243	N243-T245 WeakPolarHBondContact O-CG2 3.29Å; N243-T245 PolarHBondContact O-N 2.97Å
246	Q	68.3	Low	72.2	Confident	132 Å²	132	59.7 Å²	59.7	62%	0.617	32%	0.315	S	S	*	.	S	Bend	trans	-128.8	154.2	-175.2	-61.2	178.4	6.8	0	0	110.7	R244 V248	R244-Q246 WeakPolarHBondContact CD-O 3.24Å; R244-Q246 WeakPolarHBondContact CG-O 3.29Å; Q246-V248 VanDerWaalsContact C-N 3.3Å; Q246-V248 PolarHBondContact O-N 3Å
247	L	69.7	Low	71.6	Confident	31 Å²	31	66.9 Å²	66.9	16%	0.162	35%	0.346	C	S	.	.	S	Bend	trans	-60.1	-41.9	-179.9	-178.8	69.6	0	0	0	112.1	C186 R230 F234	C186-L247 HydrophobicContact CB-CD1 3.99Å; C186-L247 HydrophobicContact CB-CD2 3.44Å; C186-L247 VanDerWaalsContact CB-CD2 3.44Å; C186-L247 HydrophobicContact CB-CG 4.33Å; R230-L247 HydrophobicContact CG-CD1 3.95Å; R230-L247 HydrophobicContact CG-CG 4.19Å; F234-L247 HydrophobicContact CB-CD1 3.64Å; F234-L247 HydrophobicContact CD1-CB 4.29Å; F234-L247 HydrophobicContact CD1-CD1 3.63Å; F234-L247 HydrophobicContact CE1-CB 4.4Å; F234-L247 HydrophobicContact CE1-CD1 4.49Å; F234-L247 HydrophobicContact CG-CD1 3.8Å
248	V	70.2	Confident	71.2	Confident	95 Å²	95	66.6 Å²	66.6	58%	0.576	34%	0.344	S	S	*	.	S	Bend	trans	-105	122.6	176.4	-178.7	0	0	0	0	107.8	Q246	Q246-V248 VanDerWaalsContact C-N 3.3Å; Q246-V248 PolarHBondContact O-N 3Å
249	Q	69.3	Low	71	Confident	44 Å²	44	69.3 Å²	69.3	21%	0.206	36%	0.357	C	S	.	.			trans	-146.3	157.9	173.4	68.4	175.8	18.4	0	0	110	D239 C242 R244	D239-Q249 PolarHBondContact OD2-NE2 2.78Å; C242-Q249 PolarHBondContact SG-NE2 3.27Å; R244-Q249 VanDerWaalsContact CB-OE1 3.22Å; R244-Q249 VanDerWaalsContact CG-CD 3.42Å; R244-Q249 HydrophobicContact CG-CG 4.22Å
250	P	73	Confident	71.2	Confident	113 Å²	113	68.6 Å²	68.6	73%	0.734	35%	0.353	S	S	*	.			trans	-56.5	154.2	172.9	-23	33.9	0	0	0	112.3
251	S	74.6	Confident	71.9	Confident	78 Å²	78	70.8 Å²	70.8	55%	0.545	36%	0.361	S	S	.	.			trans	-61.5	143.1	167.5	176.3	0	0	0	0	109.8	D253	S251-D253 PolarHBondContact OG-N 3.12Å; S251-D253 PolarHBondContact OG-OD2 3.05Å
252	C	74.8	Confident	72.3	Confident	15 Å²	15	77.5 Å²	77.5	10%	0.101	39%	0.39	C	S	.	.			trans	-114.3	27.3	173.1	56.2	0	0	0	0	112.4	C241 C242 Y254 D255 N258	C241-C252 HydrophobicContact CB-CB 4.18Å; C241-C252 WeakPolarHBondContact CB-SG 3.36Å; C242-C252 HydrophobicContact CB-CB 3.46Å; C242-C252 VanDerWaalsContact CB-CB 3.46Å; C242-C252 WeakPolarHBondContact CB-SG 3.37Å; C242-C252 PolarHBondContact N-SG 3.39Å; C242-C252 VanDerWaalsContact N-SG 3.36Å; C242-C252 WeakPolarHBondContact SG-CB 3.46Å; C242-C252 CovalentContact SG-SG 2.01Å; C242-C252 PolarHBondContact SG-SG 2.91Å; C252-Y254 PolarHBondContact O-N 2.98Å; C252-Y254 VanDerWaalsContact O-N 3.16Å; C252-D255 HydrophobicContact CB-CB 3.67Å; C252-D255 PolarHBondContact O-N 3.08Å; C252-N258 PolarHBondContact O-ND2 3.01Å
253	D	74.9	Confident	72.6	Confident	32 Å²	32	79.5 Å²	79.5	17%	0.171	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.8	170.3	-61.6	-35.4	0	0	0	112	S251 G267	S251-D253 PolarHBondContact OG-N 3.12Å; S251-D253 PolarHBondContact OG-OD2 3.05Å; D253-G267 WeakPolarHBondContact O-CA 3.43Å; D253-G267 PolarHBondContact O-N 3.31Å
254	Y	77.5	Confident	72.8	Confident	187 Å²	187	87.7 Å²	87.7	73%	0.733	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	8.7	-179.6	-51.4	-79.1	0	0	0	113.2	C252	C252-Y254 PolarHBondContact O-N 2.98Å; C252-Y254 VanDerWaalsContact O-N 3.16Å
255	D	77.7	Confident	72.8	Confident	53 Å²	53	87.7 Å²	87.7	28%	0.283	43%	0.427	S	S	.	.			trans	-70.9	133.5	177.2	-170	-41.8	0	0	0	109.6	C252 K257 N258	C252-D255 HydrophobicContact CB-CB 3.67Å; C252-D255 PolarHBondContact O-N 3.08Å; D255-K257 PolarHBondContact O-N 3.08Å; D255-K257 VanDerWaalsContact O-N 3.11Å; D255-K257 VanDerWaalsContact OD1-CB 3.29Å; D255-K257 WeakPolarHBondContact OD1-CB 3.33Å; D255-K257 WeakPolarHBondContact OD1-CG 3.19Å; D255-K257 PolarHBondContact OD1-N 2.75Å; D255-N258 WeakPolarHBondContact O-CB 3.39Å; D255-N258 PolarHBondContact O-N 3.06Å
256	E	76.5	Confident	72.5	Confident	158 Å²	158	90 Å²	90	74%	0.738	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.2	177.3	-64.6	-176.4	175.3	0	0	113	N258 K262	E256-N258 VanDerWaalsContact C-N 3.29Å; E256-K262 WeakPolarHBondContact O-CE 3.3Å; E256-K262 WeakPolarHBondContact O-CG 3.48Å
257	K	73.7	Confident	72.4	Confident	152 Å²	152	84.3 Å²	84.3	66%	0.661	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-21	173.9	-64.9	174.5	-176.2	169.5	0	112.7	D255 I259	D255-K257 PolarHBondContact O-N 3.08Å; D255-K257 VanDerWaalsContact O-N 3.11Å; D255-K257 VanDerWaalsContact OD1-CB 3.29Å; D255-K257 WeakPolarHBondContact OD1-CB 3.33Å; D255-K257 WeakPolarHBondContact OD1-CG 3.19Å; D255-K257 PolarHBondContact OD1-N 2.75Å; K257-I259 PolarHBondContact O-N 3.47Å
258	N	74.1	Confident	72.3	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	41%	0.411	C	S	.	.			trans	-67	114.5	177.5	-168.8	-41.2	0	0	0	110	C241 C252 D255 E256 C260 H261 K262 C268	C241-N258 HydrophobicContact CB-CB 4.08Å; C241-N258 PolarHBondContact SG-ND2 3.26Å; C252-N258 PolarHBondContact O-ND2 3.01Å; D255-N258 WeakPolarHBondContact O-CB 3.39Å; D255-N258 PolarHBondContact O-N 3.06Å; E256-N258 VanDerWaalsContact C-N 3.29Å; N258-C260 PolarHBondContact O-N 3.41Å; N258-C260 WeakPolarHBondContact OD1-CB 3.15Å; N258-C260 PolarHBondContact OD1-N 3.08Å; N258-C260 VanDerWaalsContact OD1-N 3.09Å; N258-H261 HydrophobicContact CB-CB 3.9Å; N258-H261 WeakPolarHBondContact O-CB 3.12Å; N258-H261 PolarHBondContact O-N 2.85Å; N258-H261 VanDerWaalsContact O-N 3.07Å; N258-H261 PolarHBondContact OD1-N 3.21Å; N258-K262 PolarHBondContact O-N 3.17Å; N258-C268 PolarHBondContact ND2-N 3.1Å; N258-C268 VanDerWaalsContact ND2-N 3.13Å; N258-C268 PolarHBondContact ND2-O 3.02Å; N258-C268 PolarHBondContact OD1-N 3.32Å
259	I	69.8	Low	72.4	Confident	69 Å²	69	83.7 Å²	83.7	35%	0.354	41%	0.408	S	S	.	.	H	α-helix	trans	-57.9	-36.2	-176.9	-69.4	169.9	0	0	0	111.6	K257 K262 Q263	K257-I259 PolarHBondContact O-N 3.47Å; I259-K262 WeakPolarHBondContact O-CB 3.1Å; I259-K262 PolarHBondContact O-N 3.16Å; I259-Q263 WeakPolarHBondContact O-CG 3.33Å; I259-Q263 PolarHBondContact O-N 2.87Å
260	C	72.5	Confident	72.6	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-73.1	-34	-179.2	-58.1	0	0	0	0	111.7	N258 Q263 R264 L265 C268 C290	N258-C260 PolarHBondContact O-N 3.41Å; N258-C260 WeakPolarHBondContact OD1-CB 3.15Å; N258-C260 PolarHBondContact OD1-N 3.08Å; N258-C260 VanDerWaalsContact OD1-N 3.09Å; C260-Q263 CarbonylContact O-C 3.59Å; C260-Q263 PolarHBondContact O-N 2.53Å; C260-R264 PolarHBondContact O-N 3.49Å; C260-L265 HydrophobicContact CB-CB 4.22Å; C260-L265 WeakPolarHBondContact O-CA 3.2Å; C260-L265 WeakPolarHBondContact O-CB 3.35Å; C260-L265 PolarHBondContact O-N 3.36Å; C260-C268 HydrophobicContact CB-CB 3.66Å; C260-C268 WeakPolarHBondContact CB-SG 3.42Å; C260-C268 WeakPolarHBondContact SG-CB 3.13Å; C260-C268 CovalentContact SG-SG 1.98Å; C260-C268 PolarHBondContact SG-SG 3.24Å; C260-C290 PolarHBondContact SG-SG 3.25Å
261	H	75.3	Confident	72.6	Confident	69 Å²	69	78.6 Å²	78.6	32%	0.319	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-43.9	169.4	-174.9	70	0	0	0	111.2	N258 Q263 R264	N258-H261 HydrophobicContact CB-CB 3.9Å; N258-H261 WeakPolarHBondContact O-CB 3.12Å; N258-H261 PolarHBondContact O-N 2.85Å; N258-H261 VanDerWaalsContact O-N 3.07Å; N258-H261 PolarHBondContact OD1-N 3.21Å; H261-Q263 PolarHBondContact O-N 3.02Å; H261-R264 WeakPolarHBondContact O-CA 3.41Å; H261-R264 PolarHBondContact O-N 2.71Å
262	K	74.4	Confident	72.7	Confident	146 Å²	146	76.7 Å²	76.7	64%	0.635	36%	0.361	S	S	*	.	H	α-helix	trans	-56.9	-32.4	173.8	-64.6	-175.9	-178.7	-174.9	0	112.9	E256 N258 I259 R264	E256-K262 WeakPolarHBondContact O-CE 3.3Å; E256-K262 WeakPolarHBondContact O-CG 3.48Å; N258-K262 PolarHBondContact O-N 3.17Å; I259-K262 WeakPolarHBondContact O-CB 3.1Å; I259-K262 PolarHBondContact O-N 3.16Å; K262-R264 VanDerWaalsContact C-N 3.26Å; K262-R264 PolarHBondContact O-N 3.18Å
263	Q	72.5	Confident	72.5	Confident	74 Å²	74	77.9 Å²	77.9	35%	0.346	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.2	176.9	-67.9	174.2	-3.9	0	0	113.6	I259 C260 H261 L265	I259-Q263 WeakPolarHBondContact O-CG 3.33Å; I259-Q263 PolarHBondContact O-N 2.87Å; C260-Q263 CarbonylContact O-C 3.59Å; C260-Q263 PolarHBondContact O-N 2.53Å; H261-Q263 PolarHBondContact O-N 3.02Å; Q263-L265 HydrophobicContact CB-CD1 4.2Å; Q263-L265 HydrophobicContact CB-CG 4.14Å; Q263-L265 PolarHBondContact O-N 3.49Å
264	R	73.3	Confident	72.2	Confident	237 Å²	237	81.4 Å²	81.4	89%	0.894	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	28.2	-176.2	-52.8	178.4	-178.9	173.6	-0.6	113.1	C260 H261 K262	C260-R264 PolarHBondContact O-N 3.49Å; H261-R264 WeakPolarHBondContact O-CA 3.41Å; H261-R264 PolarHBondContact O-N 2.71Å; K262-R264 VanDerWaalsContact C-N 3.26Å; K262-R264 PolarHBondContact O-N 3.18Å
265	L	67.3	Low	72	Confident	73 Å²	73	73.3 Å²	73.3	38%	0.382	35%	0.349	S	S	.	.	S	Bend	trans	-92.1	164	169.1	-58.3	175	0	0	0	109.1	C260 Q263 G267	C260-L265 HydrophobicContact CB-CB 4.22Å; C260-L265 WeakPolarHBondContact O-CA 3.2Å; C260-L265 WeakPolarHBondContact O-CB 3.35Å; C260-L265 PolarHBondContact O-N 3.36Å; Q263-L265 HydrophobicContact CB-CD1 4.2Å; Q263-L265 HydrophobicContact CB-CG 4.14Å; Q263-L265 PolarHBondContact O-N 3.49Å; L265-G267 PolarHBondContact O-N 2.89Å
266	T	63.1	Low	71.7	Confident	132 Å²	132	71.6 Å²	71.6	81%	0.81	34%	0.339	S	S	*	.	S	Bend	trans	-56.2	126.7	163.2	51.8	0	0	0	0	107.5
267	G	66.1	Low	71.6	Confident	12 Å²	12	65.8 Å²	65.8	12%	0.124	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-47.3	144.2	-175.3	0	0	0	0	0	112.9	D253 L265	D253-G267 WeakPolarHBondContact O-CA 3.43Å; D253-G267 PolarHBondContact O-N 3.31Å; L265-G267 PolarHBondContact O-N 2.89Å
268	C	68	Low	71.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-81.8	126.5	178.8	-77.7	0	0	0	0	109.8	C241 N258 C260 V288 C290	C241-C268 PolarHBondContact SG-O 3.45Å; N258-C268 PolarHBondContact ND2-N 3.1Å; N258-C268 VanDerWaalsContact ND2-N 3.13Å; N258-C268 PolarHBondContact ND2-O 3.02Å; N258-C268 PolarHBondContact OD1-N 3.32Å; C260-C268 HydrophobicContact CB-CB 3.66Å; C260-C268 WeakPolarHBondContact CB-SG 3.42Å; C260-C268 WeakPolarHBondContact SG-CB 3.13Å; C260-C268 CovalentContact SG-SG 1.98Å; C260-C268 PolarHBondContact SG-SG 3.24Å; C268-V288 HydrophobicContact CB-CB 4.42Å; C268-V288 HydrophobicContact CB-CG1 4.28Å; C268-V288 HydrophobicContact CB-CG2 4.1Å; C268-V288 WeakPolarHBondContact SG-CG1 3.44Å; C268-C290 PolarHBondContact SG-SG 3.29Å
269	Q	70.9	Confident	71.9	Confident	111 Å²	111	62.4 Å²	62.4	52%	0.519	30%	0.303	S	S	.	.			trans	-121.6	165.2	169.4	54.1	177.3	-16.5	0	0	108.6	S271 S289	Q269-S271 PolarHBondContact O-N 2.97Å; Q269-S289 WeakPolarHBondContact O-CB 2.93Å; Q269-S289 PolarHBondContact O-N 3.16Å; Q269-S289 PolarHBondContact O-OG 3.17Å
270	L	73.5	Confident	71.9	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.152	29%	0.293	C	S	.	.			trans	-79.5	111.3	169.6	-172.1	72.6	0	0	0	109.2	L174 L233 C237 L286	L174-L270 HydrophobicContact CD1-CD1 3.96Å; L174-L270 HydrophobicContact CD1-CG 4.46Å; L174-L270 HydrophobicContact CD2-CD1 4.29Å; L174-L270 HydrophobicContact CD2-CD2 4.02Å; L174-L270 HydrophobicContact CD2-CG 3.89Å; L233-L270 HydrophobicContact CD2-CD2 3.93Å; C237-L270 HydrophobicContact CB-CD2 3.32Å; C237-L270 VanDerWaalsContact SG-CD2 3.57Å; L270-L286 HydrophobicContact CD1-CD2 4.11Å
271	S	74.8	Confident	71.9	Confident	21 Å²	21	60.8 Å²	60.8	15%	0.147	29%	0.294	C	S	.	.			trans	-98.1	135.8	179.4	-178.4	0	0	0	0	111.9	Q269 T273 Y274 N275 S289	Q269-S271 PolarHBondContact O-N 2.97Å; S271-T273 PolarHBondContact O-N 3.04Å; S271-T273 PolarHBondContact OG-N 2.78Å; S271-T273 VanDerWaalsContact OG-N 3.08Å; S271-T273 PolarHBondContact OG-OG1 3.27Å; S271-Y274 WeakPolarHBondContact OG-CD2 3.09Å; S271-N275 PolarHBondContact N-ND2 2.88Å; S271-N275 PolarHBondContact O-ND2 3.03Å; S271-S289 WeakPolarHBondContact CB-OG 2.99Å; S271-S289 PolarHBondContact N-OG 2.84Å
272	L	76.1	Confident	71.8	Confident	38 Å²	38	58.7 Å²	58.7	20%	0.199	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.2	170	-61.6	171.1	0	0	0	113	T173 L174 Q176 F229 L233	T173-L272 HydrophobicContact CG2-CD2 4.48Å; L174-L272 HydrophobicContact CD2-CD2 3.97Å; Q176-L272 HydrophobicContact CG-CB 4.05Å; Q176-L272 HydrophobicContact CG-CD1 4.42Å; Q176-L272 HydrophobicContact CG-CD2 4.36Å; Q176-L272 VanDerWaalsContact NE2-CB 3.28Å; F229-L272 HydrophobicContact CB-CD1 4.32Å; F229-L272 HydrophobicContact CB-CD2 4.4Å; F229-L272 HydrophobicContact CD2-CD1 3.85Å; F229-L272 HydrophobicContact CG-CD1 4.31Å; L233-L272 HydrophobicContact CD1-CD2 4.23Å; L233-L272 HydrophobicContact CD2-CD2 3.96Å; L233-L272 HydrophobicContact CG-CD2 4.38Å
273	T	71.4	Confident	71.6	Confident	40 Å²	40	59 Å²	59	25%	0.245	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-15.7	-173.7	62.6	0	0	0	0	114.6	F26 S271	F26-T273 WeakPolarHBondContact CE1-O 3.46Å; F26-T273 HydrophobicContact CZ-CG2 3.92Å; S271-T273 PolarHBondContact O-N 3.04Å; S271-T273 PolarHBondContact OG-N 2.78Å; S271-T273 VanDerWaalsContact OG-N 3.08Å; S271-T273 PolarHBondContact OG-OG1 3.27Å
274	Y	68.1	Low	71.2	Confident	106 Å²	106	56.2 Å²	56.2	42%	0.416	27%	0.274	S	S	.	.	S	Bend	trans	-120.4	14.1	-167.7	-55.1	-54.5	0	0	0	113.7	S271 K291	S271-Y274 WeakPolarHBondContact OG-CD2 3.09Å; Y274-K291 HydrophobicContact CD1-CG 4.32Å; Y274-K291 HydrophobicContact CD2-CB 4.09Å; Y274-K291 HydrophobicContact CE1-CB 4.41Å; Y274-K291 HydrophobicContact CE1-CD 3.97Å; Y274-K291 HydrophobicContact CE1-CG 3.81Å; Y274-K291 HydrophobicContact CE2-CB 3.84Å; Y274-K291 HydrophobicContact CE2-CD 4.1Å; Y274-K291 HydrophobicContact CE2-CG 4.05Å; Y274-K291 VanDerWaalsContact OH-CD 3.26Å; Y274-K291 WeakPolarHBondContact OH-CD 3.49Å; Y274-K291 VanDerWaalsContact OH-CE 3.29Å; Y274-K291 WeakPolarHBondContact OH-CE 2.91Å; Y274-K291 PolarHBondContact OH-NZ 3.37Å
275	N	72.3	Confident	70.6	Confident	18 Å²	18	49.1 Å²	49.1	10%	0.096	25%	0.247	C	C	.	.			trans	-133	49.4	-173	-64.7	-66.6	0	0	0	113	L174 S271 S289	L174-N275 HydrophobicContact CB-CB 4.2Å; L174-N275 HydrophobicContact CD1-CB 3.31Å; L174-N275 HydrophobicContact CG-CB 4.23Å; S271-N275 PolarHBondContact N-ND2 2.88Å; S271-N275 PolarHBondContact O-ND2 3.03Å; N275-S289 WeakPolarHBondContact ND2-CB 3.45Å
276	E	72	Confident	70.4	Confident	16 Å²	16	45.9 Å²	45.9	8%	0.075	23%	0.231	C	C	.	.			trans	-84.4	-20.7	179.8	-59.8	-164.1	148.8	0	0	113.6	F26 S28 R36 W171 L175	F26-E276 VanDerWaalsContact CB-CD 3.45Å; F26-E276 WeakPolarHBondContact CB-OE1 3.45Å; F26-E276 WeakPolarHBondContact CB-OE2 3.29Å; S28-E276 WeakPolarHBondContact CA-OE2 2.92Å; S28-E276 VanDerWaalsContact CB-OE2 3.24Å; S28-E276 WeakPolarHBondContact CB-OE2 3.43Å; R36-E276 IonicContact CZ-OE1 3.44Å; R36-E276 VanDerWaalsContact CZ-OE1 3.3Å; R36-E276 IonicContact NH1-OE1 2.97Å; R36-E276 PolarHBondContact NH1-OE1 2.91Å; R36-E276 IonicContact NH1-OE2 3.08Å; R36-E276 IonicContact NH2-OE1 3.86Å; R36-E276 PolarHBondContact NH2-OE1 2.8Å; W171-E276 PolarHBondContact NE1-O 2.91Å; L175-E276 HydrophobicContact CD2-CB 4.22Å; L175-E276 HydrophobicContact CD2-CG 4.35Å
277	N	75.1	Confident	70.1	Confident	36 Å²	36	41.1 Å²	41.1	19%	0.193	20%	0.2	C	C	.	.			trans	-86.6	114.4	177.7	-171.3	-40.3	0	0	0	110.7	N279 D280 L281 E314	N277-N279 PolarHBondContact O-N 2.91Å; N277-N279 WeakPolarHBondContact OD1-CB 3.26Å; N277-N279 PolarHBondContact OD1-N 3.13Å; N277-D280 HydrophobicContact CB-CB 4.03Å; N277-D280 WeakPolarHBondContact CB-OD2 3.29Å; N277-D280 PolarHBondContact OD1-N 3.06Å; N277-L281 WeakPolarHBondContact O-CB 3Å; N277-L281 PolarHBondContact O-N 3.5Å; N277-L281 VanDerWaalsContact O-N 3.08Å; N277-E314 PolarHBondContact ND2-OE2 3.23Å
278	F	78.1	Confident	69.6	Low	4 Å²	4	40.9 Å²	40.9	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-38.7	179.8	-176.1	-122.2	0	0	0	113.7	L94 F168 W171 L281 I282	L94-F278 HydrophobicContact CD1-CE1 3.51Å; L94-F278 HydrophobicContact CD1-CZ 3.91Å; L94-F278 HydrophobicContact CD2-CZ 4.41Å; F168-F278 HydrophobicContact CD1-CD2 4.4Å; F168-F278 HydrophobicContact CD1-CE1 4Å; F168-F278 AromaticContact CD1-CE2 3.68Å; F168-F278 HydrophobicContact CD1-CE2 3.68Å; F168-F278 AromaticContact CD1-CZ 3.43Å; F168-F278 HydrophobicContact CD1-CZ 3.43Å; F168-F278 VanDerWaalsContact CD1-CZ 3.43Å; F168-F278 AromaticContact CD2-CZ 3.93Å; F168-F278 HydrophobicContact CD2-CZ 3.93Å; F168-F278 HydrophobicContact CE1-CD1 4.08Å; F168-F278 AromaticContact CE1-CE1 3.34Å; F168-F278 HydrophobicContact CE1-CE1 3.34Å; F168-F278 AromaticContact CE1-CE2 3.91Å; F168-F278 HydrophobicContact CE1-CE2 3.91Å; F168-F278 AromaticContact CE1-CZ 3.24Å; F168-F278 HydrophobicContact CE1-CZ 3.24Å; F168-F278 HydrophobicContact CE2-CE1 4.17Å; F168-F278 AromaticContact CE2-CZ 3.75Å; F168-F278 HydrophobicContact CE2-CZ 3.75Å; F168-F278 HydrophobicContact CG-CE2 4.05Å; F168-F278 AromaticContact CG-CZ 3.78Å; F168-F278 HydrophobicContact CG-CZ 3.78Å; F168-F278 HydrophobicContact CZ-CD1 4.49Å; F168-F278 AromaticContact CZ-CE1 3.43Å; F168-F278 HydrophobicContact CZ-CE1 3.43Å; F168-F278 VanDerWaalsContact CZ-CE1 3.43Å; F168-F278 HydrophobicContact CZ-CE2 4.44Å; F168-F278 AromaticContact CZ-CZ 3.4Å; F168-F278 HydrophobicContact CZ-CZ 3.4Å; F168-F278 VanDerWaalsContact CZ-CZ 3.4Å; W171-F278 HydrophobicContact CB-CD2 3.7Å; W171-F278 HydrophobicContact CB-CE2 4.17Å; W171-F278 HydrophobicContact CD2-CB 3.63Å; W171-F278 AromaticContact CD2-CD2 3.51Å; W171-F278 HydrophobicContact CD2-CD2 3.51Å; W171-F278 HydrophobicContact CD2-CE2 4.47Å; W171-F278 AromaticContact CD2-CG 3.88Å; W171-F278 HydrophobicContact CD2-CG 3.88Å; W171-F278 HydrophobicContact CE3-CB 3.86Å; W171-F278 AromaticContact CE3-CD2 3.48Å; W171-F278 HydrophobicContact CE3-CD2 3.48Å; W171-F278 VanDerWaalsContact CE3-CD2 3.48Å; W171-F278 HydrophobicContact CE3-CE2 4.16Å; W171-F278 AromaticContact CE3-CG 3.76Å; W171-F278 HydrophobicContact CE3-CG 3.76Å; W171-F278 HydrophobicContact CG-CB 4.17Å; W171-F278 AromaticContact CG-CD2 3.61Å; W171-F278 HydrophobicContact CG-CD2 3.61Å; W171-F278 HydrophobicContact CG-CE2 4.5Å; W171-F278 HydrophobicContact CG-CG 4.33Å; W171-F278 HydrophobicContact CH2-CB 4.01Å; W171-F278 HydrophobicContact CZ2-CB 3.78Å; W171-F278 HydrophobicContact CZ3-CB 4.03Å; W171-F278 HydrophobicContact CZ3-CD2 4.28Å; W171-F278 HydrophobicContact CZ3-CG 4.12Å; F278-L281 HydrophobicContact CD2-CD2 4.26Å; F278-L281 HydrophobicContact CE2-CD2 4.43Å; F278-L281 WeakPolarHBondContact O-CB 3.47Å; F278-L281 PolarHBondContact O-N 3.14Å; F278-I282 HydrophobicContact CD1-CD1 3.73Å; F278-I282 HydrophobicContact CD2-CD1 4.4Å; F278-I282 HydrophobicContact CE1-CD1 3.28Å; F278-I282 HydrophobicContact CE1-CG1 4.34Å; F278-I282 HydrophobicContact CE2-CD1 4Å; F278-I282 HydrophobicContact CE2-CG1 4.24Å; F278-I282 HydrophobicContact CG-CD1 4.29Å; F278-I282 HydrophobicContact CZ-CD1 3.42Å; F278-I282 VanDerWaalsContact CZ-CD1 3.42Å; F278-I282 HydrophobicContact CZ-CG1 4.12Å; F278-I282 WeakPolarHBondContact O-CG1 3.01Å; F278-I282 PolarHBondContact O-N 1.98Å
279	N	75	Confident	69.1	Low	78 Å²	78	41.3 Å²	41.3	42%	0.417	20%	0.199	S	C	.	.	H	α-helix	trans	-70.6	-40	-177	-67.1	-28.7	0	0	0	110.6	N277 L281 I282 K283	N277-N279 PolarHBondContact O-N 2.91Å; N277-N279 WeakPolarHBondContact OD1-CB 3.26Å; N277-N279 PolarHBondContact OD1-N 3.13Å; N279-L281 VanDerWaalsContact C-N 3.28Å; N279-L281 PolarHBondContact O-N 3Å; N279-I282 PolarHBondContact O-N 3.13Å; N279-K283 WeakPolarHBondContact O-CB 3.12Å; N279-K283 WeakPolarHBondContact O-CG 3.27Å; N279-K283 PolarHBondContact O-N 3.5Å
280	D	70.3	Confident	68.4	Low	30 Å²	30	37.2 Å²	37.2	16%	0.16	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-41.6	172.4	-67.7	-17.9	0	0	0	110.4	N277 I282 K283 N284 R298	N277-D280 HydrophobicContact CB-CB 4.03Å; N277-D280 WeakPolarHBondContact CB-OD2 3.29Å; N277-D280 PolarHBondContact OD1-N 3.06Å; D280-I282 VanDerWaalsContact C-N 3.32Å; D280-I282 PolarHBondContact O-N 2.88Å; D280-K283 PolarHBondContact O-N 3.04Å; D280-N284 WeakPolarHBondContact O-CB 3.42Å; D280-N284 PolarHBondContact O-N 3.49Å; D280-N284 PolarHBondContact O-OD1 3.09Å; D280-R298 IonicContact OD1-CZ 2.7Å; D280-R298 IonicContact OD1-NH1 2.95Å; D280-R298 PolarHBondContact OD1-NH1 3.24Å; D280-R298 IonicContact OD2-NH1 3.9Å
281	L	73.2	Confident	67.9	Low	4 Å²	4	42.2 Å²	42.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-40.8	177.1	178.8	146.1	0	0	0	112.5	Y167 W171 L174 N277 F278 N279 L286	Y167-L281 HydrophobicContact CD1-CD2 3.61Å; Y167-L281 HydrophobicContact CE1-CD2 4.27Å; W171-L281 HydrophobicContact CB-CD1 3.96Å; W171-L281 HydrophobicContact CB-CD2 4.33Å; W171-L281 HydrophobicContact CG-CD1 4.36Å; L174-L281 HydrophobicContact CD1-CD1 3.35Å; N277-L281 WeakPolarHBondContact O-CB 3Å; N277-L281 PolarHBondContact O-N 3.5Å; N277-L281 VanDerWaalsContact O-N 3.08Å; F278-L281 HydrophobicContact CD2-CD2 4.26Å; F278-L281 HydrophobicContact CE2-CD2 4.43Å; F278-L281 WeakPolarHBondContact O-CB 3.47Å; F278-L281 PolarHBondContact O-N 3.14Å; N279-L281 VanDerWaalsContact C-N 3.28Å; N279-L281 PolarHBondContact O-N 3Å; L281-L286 HydrophobicContact CD1-CD2 3.5Å; L281-L286 VanDerWaalsContact CD1-CD2 3.5Å; L281-L286 HydrophobicContact CD1-CG 4.47Å; L281-L286 HydrophobicContact CD2-CD1 4.06Å; L281-L286 HydrophobicContact CD2-CD2 3.71Å; L281-L286 HydrophobicContact CD2-CG 3.89Å; L281-L286 HydrophobicContact CG-CD1 4.47Å; L281-L286 HydrophobicContact CG-CD2 3.3Å; L281-L286 HydrophobicContact CG-CG 3.76Å; L281-L286 PolarHBondContact O-N 2.98Å; L281-L286 VanDerWaalsContact O-N 3.12Å
282	I	73	Confident	67.7	Low	25 Å²	25	41.9 Å²	41.9	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-52.6	173.6	-68.1	165.8	0	0	0	111	L94 Y167 F278 N279 D280 N284 R285	L94-I282 HydrophobicContact CD1-CD1 3.81Å; L94-I282 HydrophobicContact CD2-CD1 3.82Å; L94-I282 HydrophobicContact CG-CD1 4.19Å; Y167-I282 HydrophobicContact CD1-CG1 4.01Å; Y167-I282 HydrophobicContact CE1-CG1 4.36Å; Y167-I282 HydrophobicContact CG-CG1 4.41Å; F278-I282 HydrophobicContact CD1-CD1 3.73Å; F278-I282 HydrophobicContact CD2-CD1 4.4Å; F278-I282 HydrophobicContact CE1-CD1 3.28Å; F278-I282 HydrophobicContact CE1-CG1 4.34Å; F278-I282 HydrophobicContact CE2-CD1 4Å; F278-I282 HydrophobicContact CE2-CG1 4.24Å; F278-I282 HydrophobicContact CG-CD1 4.29Å; F278-I282 HydrophobicContact CZ-CD1 3.42Å; F278-I282 VanDerWaalsContact CZ-CD1 3.42Å; F278-I282 HydrophobicContact CZ-CG1 4.12Å; F278-I282 WeakPolarHBondContact O-CG1 3.01Å; F278-I282 PolarHBondContact O-N 1.98Å; N279-I282 PolarHBondContact O-N 3.13Å; D280-I282 VanDerWaalsContact C-N 3.32Å; D280-I282 PolarHBondContact O-N 2.88Å; I282-N284 PolarHBondContact O-N 2.81Å; I282-R285 PolarHBondContact O-N 3.11Å
283	K	69.4	Low	67.4	Low	152 Å²	152	51.6 Å²	51.6	66%	0.661	24%	0.235	S	C	*	.	H	α-helix	trans	-61.4	-43.2	-176.5	-75.3	-178.3	178.1	-176	0	112.4	N279 D280 R285	N279-K283 WeakPolarHBondContact O-CB 3.12Å; N279-K283 WeakPolarHBondContact O-CG 3.27Å; N279-K283 PolarHBondContact O-N 3.5Å; D280-K283 PolarHBondContact O-N 3.04Å; K283-R285 PolarHBondContact O-N 3.23Å; K283-R285 VanDerWaalsContact O-N 3.1Å
284	N	63.3	Low	67.5	Low	17 Å²	17	57 Å²	57	9%	0.091	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.8	178.1	-60.8	7	0	0	0	112.5	D280 I282 L286 N287 Y299 P301	D280-N284 WeakPolarHBondContact O-CB 3.42Å; D280-N284 PolarHBondContact O-N 3.49Å; D280-N284 PolarHBondContact O-OD1 3.09Å; I282-N284 PolarHBondContact O-N 2.81Å; N284-L286 PolarHBondContact O-N 2.03Å; N284-N287 PolarHBondContact O-N 3.07Å; N284-N287 PolarHBondContact O-OD1 3.28Å; N284-Y299 PolarHBondContact ND2-O 2.65Å; N284-P301 HydrophobicContact CB-CG 4.28Å; N284-P301 WeakPolarHBondContact OD1-CD 3.42Å; N284-P301 VanDerWaalsContact OD1-CG 3.31Å; N284-P301 WeakPolarHBondContact OD1-CG 3.35Å
285	R	62.5	Low	67.9	Low	87 Å²	87	55.8 Å²	55.8	33%	0.328	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	35.9	-174.5	-58.5	179	-70.2	-151.3	-7.5	110.8	K88 I282 K283 N287	K88-R285 VanDerWaalsContact CE-NH1 3.31Å; I282-R285 PolarHBondContact O-N 3.11Å; K283-R285 PolarHBondContact O-N 3.23Å; K283-R285 VanDerWaalsContact O-N 3.1Å; R285-N287 PolarHBondContact O-N 3.31Å; R285-N287 VanDerWaalsContact O-N 3.08Å
286	L	61.8	Low	68.1	Low	6 Å²	6	55.6 Å²	55.6	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	14.5	-179.6	-74.4	146.4	0	0	0	116	F86 Y167 P238 L270 L281 N284	F86-L286 HydrophobicContact CD2-CD1 3.55Å; F86-L286 HydrophobicContact CE2-CD1 3.71Å; Y167-L286 HydrophobicContact CD1-CD1 3.44Å; Y167-L286 VanDerWaalsContact CD1-CD1 3.44Å; Y167-L286 HydrophobicContact CD1-CG 4.37Å; Y167-L286 HydrophobicContact CE1-CD1 3.2Å; Y167-L286 HydrophobicContact CE1-CG 4.01Å; Y167-L286 HydrophobicContact CG-CD1 4.48Å; P238-L286 HydrophobicContact CG-CB 3.36Å; P238-L286 HydrophobicContact CG-CD1 3.71Å; P238-L286 HydrophobicContact CG-CD2 4.38Å; P238-L286 HydrophobicContact CG-CG 4Å; L270-L286 HydrophobicContact CD1-CD2 4.11Å; L281-L286 HydrophobicContact CD1-CD2 3.5Å; L281-L286 VanDerWaalsContact CD1-CD2 3.5Å; L281-L286 HydrophobicContact CD1-CG 4.47Å; L281-L286 HydrophobicContact CD2-CD1 4.06Å; L281-L286 HydrophobicContact CD2-CD2 3.71Å; L281-L286 HydrophobicContact CD2-CG 3.89Å; L281-L286 HydrophobicContact CG-CD1 4.47Å; L281-L286 HydrophobicContact CG-CD2 3.3Å; L281-L286 HydrophobicContact CG-CG 3.76Å; L281-L286 PolarHBondContact O-N 2.98Å; L281-L286 VanDerWaalsContact O-N 3.12Å; N284-L286 PolarHBondContact O-N 2.03Å
287	N	56.6	Low	68.5	Low	32 Å²	32	56.5 Å²	56.5	17%	0.171	27%	0.273	C	S	.	.			trans	-80.6	-21.7	-164.4	72.8	-5.6	0	0	0	114.9	P240 N284 R285	P240-N287 HydrophobicContact CB-CB 4.48Å; P240-N287 WeakPolarHBondContact CB-O 3.45Å; N284-N287 PolarHBondContact O-N 3.07Å; N284-N287 PolarHBondContact O-OD1 3.28Å; R285-N287 PolarHBondContact O-N 3.31Å; R285-N287 VanDerWaalsContact O-N 3.08Å
288	V	56.3	Low	68.6	Low	6 Å²	6	57.9 Å²	57.9	4%	0.036	28%	0.276	C	S	.	.			trans	-147.7	109.2	-167.8	171	0	0	0	0	110.3	C268 C290 Y299	C268-V288 HydrophobicContact CB-CB 4.42Å; C268-V288 HydrophobicContact CB-CG1 4.28Å; C268-V288 HydrophobicContact CB-CG2 4.1Å; C268-V288 WeakPolarHBondContact SG-CG1 3.44Å; V288-C290 VanDerWaalsContact C-N 3.26Å; V288-C290 HydrophobicContact CG1-CB 3.39Å; V288-C290 WeakPolarHBondContact CG1-SG 3.37Å; V288-C290 PolarHBondContact O-N 3.06Å; V288-Y299 HydrophobicContact CB-CD1 3.66Å; V288-Y299 HydrophobicContact CB-CE1 3.59Å; V288-Y299 HydrophobicContact CB-CG 4.43Å; V288-Y299 HydrophobicContact CG1-CD1 3.29Å; V288-Y299 HydrophobicContact CG1-CD2 4.02Å; V288-Y299 HydrophobicContact CG1-CE1 3.42Å; V288-Y299 VanDerWaalsContact CG1-CE1 3.42Å; V288-Y299 HydrophobicContact CG1-CE2 4.13Å; V288-Y299 HydrophobicContact CG1-CG 3.59Å; V288-Y299 HydrophobicContact CG2-CD1 4.35Å; V288-Y299 HydrophobicContact CG2-CE1 3.76Å
289	S	57.9	Low	68.3	Low	12 Å²	12	58.3 Å²	58.3	8%	0.084	28%	0.278	C	S	.	.			trans	-95.4	65.3	152.8	89.1	0	0	0	0	108.8	Q269 S271 N275 K291	Q269-S289 WeakPolarHBondContact O-CB 2.93Å; Q269-S289 PolarHBondContact O-N 3.16Å; Q269-S289 PolarHBondContact O-OG 3.17Å; S271-S289 WeakPolarHBondContact CB-OG 2.99Å; S271-S289 PolarHBondContact N-OG 2.84Å; N275-S289 WeakPolarHBondContact ND2-CB 3.45Å; S289-K291 PolarHBondContact O-N 2.7Å
290	C	56.6	Low	68.2	Low	24 Å²	24	57 Å²	57	16%	0.162	27%	0.27	C	S	.	.			trans	-64.4	111.7	164.1	-94.5	0	0	0	0	105.2	C260 C268 V288 C292 Y299	C260-C290 PolarHBondContact SG-SG 3.25Å; C268-C290 PolarHBondContact SG-SG 3.29Å; V288-C290 VanDerWaalsContact C-N 3.26Å; V288-C290 HydrophobicContact CG1-CB 3.39Å; V288-C290 WeakPolarHBondContact CG1-SG 3.37Å; V288-C290 PolarHBondContact O-N 3.06Å; C290-C292 PolarHBondContact O-N 3.34Å; C290-Y299 HydrophobicContact CB-CD2 3.66Å; C290-Y299 HydrophobicContact CB-CE2 4.34Å; C290-Y299 HydrophobicContact CB-CG 3.88Å
291	K	61.3	Low	68	Low	135 Å²	135	56.3 Å²	56.3	59%	0.587	27%	0.268	S	S	*	.			trans	-60.3	109.6	161.4	-174.2	-173.5	-168.9	161.2	0	106.8	Y274 S289 R293	Y274-K291 HydrophobicContact CD1-CG 4.32Å; Y274-K291 HydrophobicContact CD2-CB 4.09Å; Y274-K291 HydrophobicContact CE1-CB 4.41Å; Y274-K291 HydrophobicContact CE1-CD 3.97Å; Y274-K291 HydrophobicContact CE1-CG 3.81Å; Y274-K291 HydrophobicContact CE2-CB 3.84Å; Y274-K291 HydrophobicContact CE2-CD 4.1Å; Y274-K291 HydrophobicContact CE2-CG 4.05Å; Y274-K291 VanDerWaalsContact OH-CD 3.26Å; Y274-K291 WeakPolarHBondContact OH-CD 3.49Å; Y274-K291 VanDerWaalsContact OH-CE 3.29Å; Y274-K291 WeakPolarHBondContact OH-CE 2.91Å; Y274-K291 PolarHBondContact OH-NZ 3.37Å; S289-K291 PolarHBondContact O-N 2.7Å; K291-R293 PolarHBondContact O-N 2.62Å
292	C	70.7	Confident	67.8	Low	13 Å²	13	62.9 Å²	62.9	9%	0.088	30%	0.303	C	S	.	.			trans	-64.1	130.4	168.6	-67.9	0	0	0	0	108.8	C290 K294 M297 Y299 C306	C290-C292 PolarHBondContact O-N 3.34Å; C292-K294 PolarHBondContact O-N 3.12Å; C292-M297 HydrophobicContact CB-CB 3.63Å; C292-Y299 PolarHBondContact SG-N 2.81Å; C292-Y299 VanDerWaalsContact SG-N 3.38Å; C292-C306 WeakPolarHBondContact CA-SG 3.31Å; C292-C306 HydrophobicContact CB-CB 3.79Å; C292-C306 WeakPolarHBondContact CB-SG 3.4Å; C292-C306 WeakPolarHBondContact SG-CB 3.43Å; C292-C306 CovalentContact SG-SG 2.03Å; C292-C306 PolarHBondContact SG-SG 2.88Å
293	R	69.9	Low	67.8	Low	243 Å²	243	64.4 Å²	64.4	92%	0.917	32%	0.316	S	S	*	.	S	Bend	trans	-60.2	-36.7	-176.6	-71.4	-175.8	176	-179.9	-0.7	111.9	K291	K291-R293 PolarHBondContact O-N 2.62Å
294	K	74.1	Confident	67.8	Low	153 Å²	153	59.6 Å²	59.6	67%	0.665	30%	0.301	S	S	*	.	S	Bend	trans	-91.4	136.2	178.2	-65.6	-179.5	178.9	-177.5	0	109.6	C292 M297	C292-K294 PolarHBondContact O-N 3.12Å; K294-M297 HydrophobicContact CB-CG 3.74Å; K294-M297 WeakPolarHBondContact O-CB 3.48Å
295	A	75.7	Confident	68.2	Low	81 Å²	81	61.2 Å²	61.2	67%	0.669	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	153.6	171	0	0	0	0	0	110.8	M297 G331	A295-M297 PolarHBondContact O-N 2.81Å; A295-G331 CarbonylContact C-O 3.51Å; A295-G331 VanDerWaalsContact O-CA 3.23Å; A295-G331 WeakPolarHBondContact O-CA 3.35Å
296	G	77.8	Confident	68.9	Low	14 Å²	14	59.7 Å²	59.7	14%	0.144	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	8.5	-177.4	0	0	0	0	0	115	V309 G331	G296-V309 WeakPolarHBondContact O-CB 3.47Å; G296-V309 WeakPolarHBondContact O-CG2 3.39Å; G296-V309 PolarHBondContact O-N 3.5Å; G296-G331 WeakPolarHBondContact CA-O 3.42Å
297	M	79.7	Confident	69.9	Low	34 Å²	34	61.5 Å²	61.5	17%	0.167	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.5	172	-58.3	-78.4	125	0	0	110.2	C292 K294 A295 C306 V307 D308 I330 G331	C292-M297 HydrophobicContact CB-CB 3.63Å; K294-M297 HydrophobicContact CB-CG 3.74Å; K294-M297 WeakPolarHBondContact O-CB 3.48Å; A295-M297 PolarHBondContact O-N 2.81Å; M297-C306 HydrophobicContact CB-CB 4.18Å; M297-V307 CarbonylContact C-O 3.45Å; M297-V307 VanDerWaalsContact CA-O 3.24Å; M297-V307 WeakPolarHBondContact CA-O 3Å; M297-D308 HydrophobicContact CE-CB 3.84Å; M297-D308 WeakPolarHBondContact CE-OD1 3.37Å; M297-D308 HydrophobicContact SD-CB 4.33Å; M297-I330 HydrophobicContact CE-CG2 3.59Å; M297-G331 VanDerWaalsContact CE-CA 3.47Å
298	R	76.8	Confident	71.3	Confident	65 Å²	65	62 Å²	62	25%	0.245	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.8	170.4	65.2	175	162.8	-157.9	-21.7	111	D280 N300 C306 V307 V309 E314	D280-R298 IonicContact OD1-CZ 2.7Å; D280-R298 IonicContact OD1-NH1 2.95Å; D280-R298 PolarHBondContact OD1-NH1 3.24Å; D280-R298 IonicContact OD2-NH1 3.9Å; R298-N300 PolarHBondContact O-N 2.78Å; R298-C306 CarbonylContact O-C 3.52Å; R298-C306 VanDerWaalsContact O-CA 3.3Å; R298-C306 WeakPolarHBondContact O-CA 3.44Å; R298-V307 HydrophobicContact CG-CG2 3.87Å; R298-V307 PolarHBondContact N-O 3.38Å; R298-V307 PolarHBondContact O-N 3.44Å; R298-V309 HydrophobicContact CB-CG2 3.61Å; R298-V309 HydrophobicContact CG-CG2 3.62Å; R298-E314 IonicContact CZ-OE1 3.6Å; R298-E314 IonicContact NH1-OE1 3.53Å; R298-E314 PolarHBondContact NH1-OE1 3.38Å; R298-E314 IonicContact NH1-OE2 2.62Å; R298-E314 IonicContact NH2-OE1 2.81Å; R298-E314 PolarHBondContact NH2-OE1 2.82Å
299	Y	72.3	Confident	72.5	Confident	14 Å²	14	62.7 Å²	62.7	6%	0.055	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.1	173.4	-175.5	-96.2	0	0	0	110.1	N284 V288 C290 C292 P301 S304	N284-Y299 PolarHBondContact ND2-O 2.65Å; V288-Y299 HydrophobicContact CB-CD1 3.66Å; V288-Y299 HydrophobicContact CB-CE1 3.59Å; V288-Y299 HydrophobicContact CB-CG 4.43Å; V288-Y299 HydrophobicContact CG1-CD1 3.29Å; V288-Y299 HydrophobicContact CG1-CD2 4.02Å; V288-Y299 HydrophobicContact CG1-CE1 3.42Å; V288-Y299 VanDerWaalsContact CG1-CE1 3.42Å; V288-Y299 HydrophobicContact CG1-CE2 4.13Å; V288-Y299 HydrophobicContact CG1-CG 3.59Å; V288-Y299 HydrophobicContact CG2-CD1 4.35Å; V288-Y299 HydrophobicContact CG2-CE1 3.76Å; C290-Y299 HydrophobicContact CB-CD2 3.66Å; C290-Y299 HydrophobicContact CB-CE2 4.34Å; C290-Y299 HydrophobicContact CB-CG 3.88Å; C292-Y299 PolarHBondContact SG-N 2.81Å; C292-Y299 VanDerWaalsContact SG-N 3.38Å; Y299-P301 HydrophobicContact CE1-CB 4.47Å; Y299-S304 WeakPolarHBondContact OH-CA 3.3Å
300	N	73.7	Confident	73.9	Confident	49 Å²	49	65.2 Å²	65.2	26%	0.262	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.8	171	178.3	-7.9	0	0	0	109.3	R298 D302 S303 S304 S305 V307	R298-N300 PolarHBondContact O-N 2.78Å; N300-D302 VanDerWaalsContact C-N 3.33Å; N300-D302 PolarHBondContact O-N 3.02Å; N300-D302 WeakPolarHBondContact OD1-CB 2.79Å; N300-D302 PolarHBondContact OD1-N 2.95Å; N300-S303 WeakPolarHBondContact CB-OG 2.99Å; N300-S304 VanDerWaalsContact O-CA 3.27Å; N300-S304 WeakPolarHBondContact O-CA 3.45Å; N300-S304 PolarHBondContact O-N 2.03Å; N300-S305 PolarHBondContact N-O 2.81Å; N300-S305 PolarHBondContact O-N 3.19Å; N300-S305 VanDerWaalsContact O-N 3.16Å; N300-V307 HydrophobicContact CB-CB 4.48Å; N300-V307 HydrophobicContact CB-CG1 3.9Å; N300-V307 HydrophobicContact CB-CG2 3.73Å
301	P	65.7	Low	75.1	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.104	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.2	-178.3	32.1	-42.2	0	0	0	112.3	N284 Y299 S304	N284-P301 HydrophobicContact CB-CG 4.28Å; N284-P301 WeakPolarHBondContact OD1-CD 3.42Å; N284-P301 VanDerWaalsContact OD1-CG 3.31Å; N284-P301 WeakPolarHBondContact OD1-CG 3.35Å; Y299-P301 HydrophobicContact CE1-CB 4.47Å; P301-S304 PolarHBondContact O-N 3.49Å; P301-S304 PolarHBondContact O-OG 3.26Å
302	D	69.2	Low	76.2	Confident	142 Å²	142	59.2 Å²	59.2	76%	0.759	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-42.3	-175.6	-61.5	-37.4	0	0	0	110.1	N300 S304	N300-D302 VanDerWaalsContact C-N 3.33Å; N300-D302 PolarHBondContact O-N 3.02Å; N300-D302 WeakPolarHBondContact OD1-CB 2.79Å; N300-D302 PolarHBondContact OD1-N 2.95Å; D302-S304 VanDerWaalsContact C-N 3.34Å
303	S	72.8	Confident	76.8	Confident	57 Å²	57	62.4 Å²	62.4	40%	0.399	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.6	173.5	66.8	0	0	0	0	113.5	N300 S305	N300-S303 WeakPolarHBondContact CB-OG 2.99Å; S303-S305 WeakPolarHBondContact CB-OG 3.39Å; S303-S305 PolarHBondContact O-N 2.88Å; S303-S305 VanDerWaalsContact O-N 3.16Å; S303-S305 PolarHBondContact O-OG 3.3Å; S303-S305 PolarHBondContact OG-OG 3.07Å
304	S	69.6	Low	77.1	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	36.7	-173.1	-71.9	0	0	0	0	113.4	Y299 N300 P301 D302	Y299-S304 WeakPolarHBondContact OH-CA 3.3Å; N300-S304 VanDerWaalsContact O-CA 3.27Å; N300-S304 WeakPolarHBondContact O-CA 3.45Å; N300-S304 PolarHBondContact O-N 2.03Å; P301-S304 PolarHBondContact O-N 3.49Å; P301-S304 PolarHBondContact O-OG 3.26Å; D302-S304 VanDerWaalsContact C-N 3.34Å
305	S	72.3	Confident	77	Confident	50 Å²	50	48 Å²	48	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.9	-171.6	66.8	0	0	0	0	112	N300 S303 V307	N300-S305 PolarHBondContact N-O 2.81Å; N300-S305 PolarHBondContact O-N 3.19Å; N300-S305 VanDerWaalsContact O-N 3.16Å; S303-S305 WeakPolarHBondContact CB-OG 3.39Å; S303-S305 PolarHBondContact O-N 2.88Å; S303-S305 VanDerWaalsContact O-N 3.16Å; S303-S305 PolarHBondContact O-OG 3.3Å; S303-S305 PolarHBondContact OG-OG 3.07Å; S305-V307 PolarHBondContact O-N 3.2Å
306	C	76.4	Confident	76.9	Confident	56 Å²	56	54.3 Å²	54.3	38%	0.378	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.8	171.5	-73.7	0	0	0	0	110	C292 M297 R298	C292-C306 WeakPolarHBondContact CA-SG 3.31Å; C292-C306 HydrophobicContact CB-CB 3.79Å; C292-C306 WeakPolarHBondContact CB-SG 3.4Å; C292-C306 WeakPolarHBondContact SG-CB 3.43Å; C292-C306 CovalentContact SG-SG 2.03Å; C292-C306 PolarHBondContact SG-SG 2.88Å; M297-C306 HydrophobicContact CB-CB 4.18Å; R298-C306 CarbonylContact O-C 3.52Å; R298-C306 VanDerWaalsContact O-CA 3.3Å; R298-C306 WeakPolarHBondContact O-CA 3.44Å
307	V	82.2	Confident	76.9	Confident	43 Å²	43	62.6 Å²	62.6	26%	0.261	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	156.2	177.7	-59.3	0	0	0	0	110.2	M297 R298 N300 S305	M297-V307 CarbonylContact C-O 3.45Å; M297-V307 VanDerWaalsContact CA-O 3.24Å; M297-V307 WeakPolarHBondContact CA-O 3Å; R298-V307 HydrophobicContact CG-CG2 3.87Å; R298-V307 PolarHBondContact N-O 3.38Å; R298-V307 PolarHBondContact O-N 3.44Å; N300-V307 HydrophobicContact CB-CB 4.48Å; N300-V307 HydrophobicContact CB-CG1 3.9Å; N300-V307 HydrophobicContact CB-CG2 3.73Å; S305-V307 PolarHBondContact O-N 3.2Å
308	D	85.7	Confident	76.8	Confident	44 Å²	44	62.1 Å²	62.1	24%	0.235	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	140.2	174.9	-168.9	52.7	0	0	0	111.5	M297 N328 I330 G331	M297-D308 HydrophobicContact CE-CB 3.84Å; M297-D308 WeakPolarHBondContact CE-OD1 3.37Å; M297-D308 HydrophobicContact SD-CB 4.33Å; D308-N328 PolarHBondContact OD2-ND2 3.24Å; D308-I330 WeakPolarHBondContact OD1-CA 3.38Å; D308-G331 PolarHBondContact OD1-N 3.07Å
309	V	82.4	Confident	77	Confident	20 Å²	20	60.1 Å²	60.1	12%	0.121	32%	0.323	C	S	.	.			trans	-91	117.7	171.1	-177.4	0	0	0	0	107.4	G296 R298 E311 N328	G296-V309 WeakPolarHBondContact O-CB 3.47Å; G296-V309 WeakPolarHBondContact O-CG2 3.39Å; G296-V309 PolarHBondContact O-N 3.5Å; R298-V309 HydrophobicContact CB-CG2 3.61Å; R298-V309 HydrophobicContact CG-CG2 3.62Å; V309-E311 VanDerWaalsContact C-N 3.27Å; V309-E311 HydrophobicContact CB-CG 4.26Å; V309-E311 HydrophobicContact CG1-CG 3.92Å; V309-E311 PolarHBondContact O-N 3.36Å; V309-N328 PolarHBondContact O-OD1 2.6Å
310	D	86.2	Confident	77.5	Confident	65 Å²	65	65.8 Å²	65.8	35%	0.348	36%	0.358	S	S	.	.			trans	-75.8	86.7	169.4	-169.7	-24.9	0	0	0	109.6	C312 A313 E314 N328	D310-C312 PolarHBondContact O-N 3.31Å; D310-C312 WeakPolarHBondContact OD1-CB 3.36Å; D310-C312 PolarHBondContact OD1-N 3.23Å; D310-C312 VanDerWaalsContact OD1-N 3.13Å; D310-A313 HydrophobicContact CB-CB 3.98Å; D310-A313 PolarHBondContact O-N 2.79Å; D310-A313 PolarHBondContact OD1-N 2.88Å; D310-E314 PolarHBondContact O-N 2.91Å; D310-N328 WeakPolarHBondContact CA-OD1 3.39Å; D310-N328 WeakPolarHBondContact OD1-CB 3.46Å
311	E	82.6	Confident	78	Confident	5 Å²	5	67.1 Å²	67.1	2%	0.023	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-24.8	-176.8	-68.6	136.2	139.7	0	0	111.4	K27 V309 M315 I318 N328 S332 Y333	K27-E311 IonicContact NZ-OE1 2.72Å; K27-E311 PolarHBondContact NZ-OE1 2.92Å; V309-E311 VanDerWaalsContact C-N 3.27Å; V309-E311 HydrophobicContact CB-CG 4.26Å; V309-E311 HydrophobicContact CG1-CG 3.92Å; V309-E311 PolarHBondContact O-N 3.36Å; E311-M315 HydrophobicContact CB-CE 3.82Å; E311-M315 HydrophobicContact CG-CE 3.96Å; E311-M315 VanDerWaalsContact O-CB 3.3Å; E311-M315 WeakPolarHBondContact O-CB 3.47Å; E311-M315 PolarHBondContact O-N 2.03Å; E311-I318 HydrophobicContact CB-CD1 3.81Å; E311-N328 PolarHBondContact N-OD1 2.88Å; E311-S332 WeakPolarHBondContact OE2-CA 3.4Å; E311-Y333 HydrophobicContact CB-CD1 3.69Å; E311-Y333 HydrophobicContact CB-CE1 4.46Å; E311-Y333 HydrophobicContact CB-CG 4.11Å; E311-Y333 HydrophobicContact CG-CD1 4.09Å; E311-Y333 PolarHBondContact OE2-N 3.47Å
312	C	84.8	Confident	78.8	Confident	28 Å²	28	70.3 Å²	70.3	19%	0.189	38%	0.381	C	S	.	.	H	α-helix	trans	-74.7	-39.1	176.3	-58	0	0	0	0	112.6	D310 C326 V327 N328	D310-C312 PolarHBondContact O-N 3.31Å; D310-C312 WeakPolarHBondContact OD1-CB 3.36Å; D310-C312 PolarHBondContact OD1-N 3.23Å; D310-C312 VanDerWaalsContact OD1-N 3.13Å; C312-C326 WeakPolarHBondContact CA-SG 3.4Å; C312-C326 HydrophobicContact CB-CB 3.65Å; C312-C326 WeakPolarHBondContact CB-SG 3.46Å; C312-C326 WeakPolarHBondContact SG-CB 3.05Å; C312-C326 CovalentContact SG-SG 2.03Å; C312-C326 PolarHBondContact SG-SG 2.98Å; C312-V327 PolarHBondContact SG-N 2.72Å; C312-V327 VanDerWaalsContact SG-N 3.38Å; C312-N328 HydrophobicContact CB-CB 4.49Å; C312-N328 PolarHBondContact SG-N 2.89Å
313	A	83	Confident	79.7	Confident	80 Å²	80	66.7 Å²	66.7	66%	0.661	36%	0.361	S	S	*	.	H	α-helix	trans	-72.3	-35.1	176.4	0	0	0	0	0	112.2	D310	D310-A313 HydrophobicContact CB-CB 3.98Å; D310-A313 PolarHBondContact O-N 2.79Å; D310-A313 PolarHBondContact OD1-N 2.88Å
314	E	76.6	Confident	80.4	Confident	60 Å²	60	64.7 Å²	64.7	28%	0.28	35%	0.346	S	S	.	.	H	α-helix	trans	-80.4	-30.7	-179	-73.3	-175.2	-151.6	0	0	113.8	N277 R298 D310	N277-E314 PolarHBondContact ND2-OE2 3.23Å; R298-E314 IonicContact CZ-OE1 3.6Å; R298-E314 IonicContact NH1-OE1 3.53Å; R298-E314 PolarHBondContact NH1-OE1 3.38Å; R298-E314 IonicContact NH1-OE2 2.62Å; R298-E314 IonicContact NH2-OE1 2.81Å; R298-E314 PolarHBondContact NH2-OE1 2.82Å; D310-E314 PolarHBondContact O-N 2.91Å
315	M	72.2	Confident	81.3	Confident	32 Å²	32	65.4 Å²	65.4	16%	0.158	35%	0.349	C	S	.	.			trans	-126.1	91.6	-172.6	-57	-171.1	-100.4	0	0	111.1	E311 Y317 I318	E311-M315 HydrophobicContact CB-CE 3.82Å; E311-M315 HydrophobicContact CG-CE 3.96Å; E311-M315 VanDerWaalsContact O-CB 3.3Å; E311-M315 WeakPolarHBondContact O-CB 3.47Å; E311-M315 PolarHBondContact O-N 2.03Å; M315-Y317 PolarHBondContact O-N 3.27Å; M315-I318 HydrophobicContact CB-CB 3.75Å; M315-I318 HydrophobicContact CB-CD1 4.23Å; M315-I318 HydrophobicContact CB-CG1 4.31Å; M315-I318 HydrophobicContact CB-CG2 4.49Å; M315-I318 HydrophobicContact CE-CD1 3.31Å; M315-I318 HydrophobicContact CE-CG1 4.26Å; M315-I318 WeakPolarHBondContact O-CB 3.32Å; M315-I318 WeakPolarHBondContact O-CG2 3.49Å; M315-I318 PolarHBondContact O-N 3.13Å; M315-I318 VanDerWaalsContact O-N 3.16Å; M315-I318 HydrophobicContact SD-CD1 3.91Å; M315-I318 HydrophobicContact SD-CG1 4.23Å
316	R	73	Confident	82	Confident	214 Å²	214	64.5 Å²	64.5	81%	0.808	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.5	-176.4	-163.3	174.3	-170.2	173.1	3.2	114.7
317	Y	78.1	Confident	82.6	Confident	188 Å²	188	65 Å²	65	74%	0.737	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	24.7	-176.1	-57	-71.6	0	0	0	113.3	M315 C319	M315-Y317 PolarHBondContact O-N 3.27Å; Y317-C319 PolarHBondContact O-N 2.85Å
318	I	77.4	Confident	82.8	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.128	34%	0.343	C	S	.	.			trans	-60.2	-34.4	-179.9	-162.6	173.5	0	0	0	112.8	E311 M315 V320 C326 Y333	E311-I318 HydrophobicContact CB-CD1 3.81Å; M315-I318 HydrophobicContact CB-CB 3.75Å; M315-I318 HydrophobicContact CB-CD1 4.23Å; M315-I318 HydrophobicContact CB-CG1 4.31Å; M315-I318 HydrophobicContact CB-CG2 4.49Å; M315-I318 HydrophobicContact CE-CD1 3.31Å; M315-I318 HydrophobicContact CE-CG1 4.26Å; M315-I318 WeakPolarHBondContact O-CB 3.32Å; M315-I318 WeakPolarHBondContact O-CG2 3.49Å; M315-I318 PolarHBondContact O-N 3.13Å; M315-I318 VanDerWaalsContact O-N 3.16Å; M315-I318 HydrophobicContact SD-CD1 3.91Å; M315-I318 HydrophobicContact SD-CG1 4.23Å; I318-V320 PolarHBondContact O-N 2.93Å; I318-C326 HydrophobicContact CG2-CB 3.93Å; I318-C326 WeakPolarHBondContact CG2-SG 3.43Å; I318-Y333 HydrophobicContact CB-CE2 4.5Å; I318-Y333 HydrophobicContact CD1-CD1 3.6Å; I318-Y333 HydrophobicContact CD1-CD2 3.87Å; I318-Y333 HydrophobicContact CD1-CE1 3.25Å; I318-Y333 HydrophobicContact CD1-CE2 3.54Å; I318-Y333 HydrophobicContact CD1-CG 3.9Å; I318-Y333 HydrophobicContact CG1-CD2 4.3Å; I318-Y333 HydrophobicContact CG1-CE1 4.05Å; I318-Y333 HydrophobicContact CG1-CE2 3.62Å; I318-Y333 VanDerWaalsContact CG1-CZ 3.47Å; I318-Y333 WeakPolarHBondContact CG1-OH 3.44Å; I318-Y333 HydrophobicContact CG2-CD2 4.28Å; I318-Y333 HydrophobicContact CG2-CE2 4.23Å
319	C	81.6	Confident	82.9	Confident	23 Å²	23	65.6 Å²	65.6	16%	0.155	35%	0.347	C	S	.	.			trans	-86.2	91.4	170.9	-59.9	0	0	0	0	109.4	Y317 R321 T324 C326 C335	Y317-C319 PolarHBondContact O-N 2.85Å; C319-R321 PolarHBondContact O-N 2.8Å; C319-T324 VanDerWaalsContact CB-OG1 3.27Å; C319-T324 WeakPolarHBondContact CB-OG1 3.06Å; C319-C326 VanDerWaalsContact SG-CA 3.5Å; C319-C326 WeakPolarHBondContact SG-CB 3.18Å; C319-C335 WeakPolarHBondContact CA-SG 3.05Å; C319-C335 HydrophobicContact CB-CB 3.75Å; C319-C335 WeakPolarHBondContact CB-SG 3.42Å; C319-C335 VanDerWaalsContact SG-CA 3.54Å; C319-C335 WeakPolarHBondContact SG-CB 3.43Å; C319-C335 CovalentContact SG-SG 2.03Å; C319-C335 PolarHBondContact SG-SG 3.41Å
320	V	82.4	Confident	83.1	Confident	133 Å²	133	71.7 Å²	71.7	81%	0.806	38%	0.377	S	S	*	.			trans	-67.5	-22.9	-177.6	-172	0	0	0	0	112.2	I318	I318-V320 PolarHBondContact O-N 2.93Å
321	R	82.9	Confident	83	Confident	76 Å²	76	69.4 Å²	69.4	29%	0.287	37%	0.368	S	S	.	.	S	Bend	trans	-70.5	133.4	-177	-62.8	-171.4	-65.1	167	-2.7	110.9	C319 T324 C335 E343 G346	C319-R321 PolarHBondContact O-N 2.8Å; R321-T324 HydrophobicContact CB-CG2 3.71Å; R321-T324 PolarHBondContact O-OG1 3.39Å; R321-C335 PolarHBondContact NH2-O 3.49Å; R321-E343 IonicContact CZ-OE1 2.71Å; R321-E343 IonicContact NH1-OE1 3.56Å; R321-E343 PolarHBondContact NH1-OE1 2.92Å; R321-E343 IonicContact NH2-OE1 3.62Å; R321-G346 WeakPolarHBondContact CD-O 3.23Å; R321-G346 PolarHBondContact NH1-O 3.18Å
322	P	84.3	Confident	83.1	Confident	84 Å²	84	71.4 Å²	71.4	55%	0.545	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	150.5	175.6	25.7	-32.8	0	0	0	111.5	T324	P322-T324 PolarHBondContact O-N 3.5Å
323	N	87.7	Confident	83.2	Confident	65 Å²	65	73.5 Å²	73.5	35%	0.348	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.9	-178.6	-47.3	-43.6	0	0	0	114.4	Q338 F341 C348	N323-Q338 WeakPolarHBondContact O-CG 3.09Å; N323-Q338 PolarHBondContact O-N 2.84Å; N323-F341 HydrophobicContact CB-CD1 3.81Å; N323-F341 HydrophobicContact CB-CD2 4.38Å; N323-F341 HydrophobicContact CB-CE1 3.88Å; N323-F341 HydrophobicContact CB-CE2 4.43Å; N323-F341 HydrophobicContact CB-CG 4.09Å; N323-F341 HydrophobicContact CB-CZ 4.19Å; N323-F341 VanDerWaalsContact ND2-CE1 3.32Å; N323-F341 WeakPolarHBondContact ND2-CE1 3.27Å; N323-C348 HydrophobicContact CB-CB 3.98Å
324	T	86.6	Confident	83.4	Confident	15 Å²	15	72.9 Å²	72.9	9%	0.092	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	157.4	171.6	60.2	0	0	0	0	112.4	C319 R321 P322 V336 C348	C319-T324 VanDerWaalsContact CB-OG1 3.27Å; C319-T324 WeakPolarHBondContact CB-OG1 3.06Å; R321-T324 HydrophobicContact CB-CG2 3.71Å; R321-T324 PolarHBondContact O-OG1 3.39Å; P322-T324 PolarHBondContact O-N 3.5Å; T324-V336 CarbonylContact C-O 3.5Å; T324-V336 WeakPolarHBondContact CA-O 3.41Å; T324-V336 WeakPolarHBondContact CB-O 3.23Å; T324-C348 WeakPolarHBondContact CG2-SG 3.45Å
325	V	88.6	Confident	83.9	Confident	68 Å²	68	71.4 Å²	71.4	41%	0.412	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.7	172	169.9	0	0	0	0	107.7	C335 V336 Q338	V325-C335 WeakPolarHBondContact O-CA 3.4Å; V325-V336 HydrophobicContact CB-CG2 4.46Å; V325-V336 PolarHBondContact N-O 3.16Å; V325-V336 PolarHBondContact O-N 2.04Å; V325-Q338 HydrophobicContact CG2-CG 3.52Å
326	C	87.6	Confident	84.8	Confident	31 Å²	31	73 Å²	73	21%	0.209	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.8	172	-170.3	0	0	0	0	109.9	C312 I318 C319	C312-C326 WeakPolarHBondContact CA-SG 3.4Å; C312-C326 HydrophobicContact CB-CB 3.65Å; C312-C326 WeakPolarHBondContact CB-SG 3.46Å; C312-C326 WeakPolarHBondContact SG-CB 3.05Å; C312-C326 CovalentContact SG-SG 2.03Å; C312-C326 PolarHBondContact SG-SG 2.98Å; I318-C326 HydrophobicContact CG2-CB 3.93Å; I318-C326 WeakPolarHBondContact CG2-SG 3.43Å; C319-C326 VanDerWaalsContact SG-CA 3.5Å; C319-C326 WeakPolarHBondContact SG-CB 3.18Å
327	V	87.7	Confident	85.5	Confident	65 Å²	65	64.1 Å²	64.1	39%	0.394	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122	170.9	178.5	0	0	0	0	108.2	C312 Y333 V334 V336	C312-V327 PolarHBondContact SG-N 2.72Å; C312-V327 VanDerWaalsContact SG-N 3.38Å; V327-Y333 WeakPolarHBondContact O-CA 3.43Å; V327-V334 HydrophobicContact CB-CG2 3.92Å; V327-V334 HydrophobicContact CG1-CG2 4.45Å; V327-V334 PolarHBondContact N-O 2.9Å; V327-V334 PolarHBondContact O-N 3.48Å; V327-V336 HydrophobicContact CG2-CG2 3.74Å
328	N	88.3	Confident	86	Confident	48 Å²	48	58.9 Å²	58.9	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.8	179.6	-168.7	53.4	0	0	0	110.7	D308 V309 D310 E311 C312	D308-N328 PolarHBondContact OD2-ND2 3.24Å; V309-N328 PolarHBondContact O-OD1 2.6Å; D310-N328 WeakPolarHBondContact CA-OD1 3.39Å; D310-N328 WeakPolarHBondContact OD1-CB 3.46Å; E311-N328 PolarHBondContact N-OD1 2.88Å; C312-N328 HydrophobicContact CB-CB 4.49Å; C312-N328 PolarHBondContact SG-N 2.89Å
329	T	86.1	Confident	86.4	Confident	52 Å²	52	62.7 Å²	62.7	32%	0.319	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.8	176.2	65.8	0	0	0	0	109.7	G331 S332 V334	T329-G331 PolarHBondContact O-N 2.79Å; T329-S332 CarbonylContact C-O 3.49Å; T329-S332 VanDerWaalsContact CA-O 3.23Å; T329-S332 WeakPolarHBondContact CA-O 3.38Å; T329-S332 WeakPolarHBondContact CB-O 3.44Å; T329-S332 PolarHBondContact N-O 2.95Å; T329-S332 PolarHBondContact O-N 3.25Å; T329-S332 PolarHBondContact OG1-O 2.71Å; T329-V334 HydrophobicContact CG2-CG1 4.49Å; T329-V334 HydrophobicContact CG2-CG2 4.23Å
330	I	87.2	Confident	86.7	Confident	149 Å²	149	64 Å²	64	76%	0.764	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	112	-179.7	-62.3	174.6	0	0	0	109.5	M297 D308	M297-I330 HydrophobicContact CE-CG2 3.59Å; D308-I330 WeakPolarHBondContact OD1-CA 3.38Å
331	G	84	Confident	87	Confident	16 Å²	16	60.2 Å²	60.2	17%	0.165	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	3.3	178.5	0	0	0	0	0	114.9	A295 G296 M297 D308 T329	A295-G331 CarbonylContact C-O 3.51Å; A295-G331 VanDerWaalsContact O-CA 3.23Å; A295-G331 WeakPolarHBondContact O-CA 3.35Å; G296-G331 WeakPolarHBondContact CA-O 3.42Å; M297-G331 VanDerWaalsContact CE-CA 3.47Å; D308-G331 PolarHBondContact OD1-N 3.07Å; T329-G331 PolarHBondContact O-N 2.79Å
332	S	85.4	Confident	87.1	Confident	48 Å²	48	62 Å²	62	34%	0.336	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	178.1	-179.8	-164.3	0	0	0	0	111.6	E311 T329	E311-S332 WeakPolarHBondContact OE2-CA 3.4Å; T329-S332 CarbonylContact C-O 3.49Å; T329-S332 VanDerWaalsContact CA-O 3.23Å; T329-S332 WeakPolarHBondContact CA-O 3.38Å; T329-S332 WeakPolarHBondContact CB-O 3.44Å; T329-S332 PolarHBondContact N-O 2.95Å; T329-S332 PolarHBondContact O-N 3.25Å; T329-S332 PolarHBondContact OG1-O 2.71Å
333	Y	85.6	Confident	87.1	Confident	71 Å²	71	63.9 Å²	63.9	28%	0.278	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	164.6	166.3	65.5	-79.1	0	0	0	109.9	E311 I318 V327	E311-Y333 HydrophobicContact CB-CD1 3.69Å; E311-Y333 HydrophobicContact CB-CE1 4.46Å; E311-Y333 HydrophobicContact CB-CG 4.11Å; E311-Y333 HydrophobicContact CG-CD1 4.09Å; E311-Y333 PolarHBondContact OE2-N 3.47Å; I318-Y333 HydrophobicContact CB-CE2 4.5Å; I318-Y333 HydrophobicContact CD1-CD1 3.6Å; I318-Y333 HydrophobicContact CD1-CD2 3.87Å; I318-Y333 HydrophobicContact CD1-CE1 3.25Å; I318-Y333 HydrophobicContact CD1-CE2 3.54Å; I318-Y333 HydrophobicContact CD1-CG 3.9Å; I318-Y333 HydrophobicContact CG1-CD2 4.3Å; I318-Y333 HydrophobicContact CG1-CE1 4.05Å; I318-Y333 HydrophobicContact CG1-CE2 3.62Å; I318-Y333 VanDerWaalsContact CG1-CZ 3.47Å; I318-Y333 WeakPolarHBondContact CG1-OH 3.44Å; I318-Y333 HydrophobicContact CG2-CD2 4.28Å; I318-Y333 HydrophobicContact CG2-CE2 4.23Å; V327-Y333 WeakPolarHBondContact O-CA 3.43Å
334	V	87.5	Confident	86.8	Confident	67 Å²	67	63.1 Å²	63.1	41%	0.406	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.1	170.7	-63.2	0	0	0	0	110.4	V327 T329 V336	V327-V334 HydrophobicContact CB-CG2 3.92Å; V327-V334 HydrophobicContact CG1-CG2 4.45Å; V327-V334 PolarHBondContact N-O 2.9Å; V327-V334 PolarHBondContact O-N 3.48Å; T329-V334 HydrophobicContact CG2-CG1 4.49Å; T329-V334 HydrophobicContact CG2-CG2 4.23Å; V334-V336 HydrophobicContact CG2-CG1 4.17Å
335	C	88.1	Confident	86.5	Confident	29 Å²	29	66.3 Å²	66.3	20%	0.196	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.7	175.7	-63.1	0	0	0	0	109.3	C319 R321 V325	C319-C335 WeakPolarHBondContact CA-SG 3.05Å; C319-C335 HydrophobicContact CB-CB 3.75Å; C319-C335 WeakPolarHBondContact CB-SG 3.42Å; C319-C335 VanDerWaalsContact SG-CA 3.54Å; C319-C335 WeakPolarHBondContact SG-CB 3.43Å; C319-C335 CovalentContact SG-SG 2.03Å; C319-C335 PolarHBondContact SG-SG 3.41Å; R321-C335 PolarHBondContact NH2-O 3.49Å; V325-C335 WeakPolarHBondContact O-CA 3.4Å
336	V	89.8	Confident	86.2	Confident	65 Å²	65	64.9 Å²	64.9	39%	0.394	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	154.5	-178.3	-60.9	0	0	0	0	111	T324 V325 V327 V334	T324-V336 CarbonylContact C-O 3.5Å; T324-V336 WeakPolarHBondContact CA-O 3.41Å; T324-V336 WeakPolarHBondContact CB-O 3.23Å; V325-V336 HydrophobicContact CB-CG2 4.46Å; V325-V336 PolarHBondContact N-O 3.16Å; V325-V336 PolarHBondContact O-N 2.04Å; V327-V336 HydrophobicContact CG2-CG2 3.74Å; V334-V336 HydrophobicContact CG2-CG1 4.17Å
337	C	88.3	Confident	86	Confident	28 Å²	28	70.7 Å²	70.7	19%	0.189	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	143.1	173.9	-63.3	0	0	0	0	111.4	F341 C348	C337-F341 HydrophobicContact CB-CB 3.94Å; C337-C348 WeakPolarHBondContact CA-SG 3.38Å; C337-C348 HydrophobicContact CB-CB 3.75Å; C337-C348 WeakPolarHBondContact CB-SG 3.42Å; C337-C348 VanDerWaalsContact SG-CA 3.51Å; C337-C348 WeakPolarHBondContact SG-CB 3.16Å; C337-C348 CovalentContact SG-SG 2.04Å; C337-C348 PolarHBondContact SG-SG 3.16Å
338	Q	89.4	Confident	85.8	Confident	79 Å²	79	68 Å²	68	37%	0.369	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-58.1	155.8	171.8	-76.7	176.4	6.9	0	0	111.3	N323 V325 G340 F341	N323-Q338 WeakPolarHBondContact O-CG 3.09Å; N323-Q338 PolarHBondContact O-N 2.84Å; V325-Q338 HydrophobicContact CG2-CG 3.52Å; Q338-G340 PolarHBondContact O-N 2.88Å; Q338-F341 HydrophobicContact CB-CD2 3.97Å; Q338-F341 WeakPolarHBondContact O-CB 3.24Å; Q338-F341 PolarHBondContact O-N 3.36Å
339	A	85.8	Confident	85.7	Confident	105 Å²	105	69 Å²	69	87%	0.868	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	131.7	175.6	0	0	0	0	0	111	F341	A339-F341 VanDerWaalsContact C-N 3.34Å
340	G	87	Confident	85.5	Confident	50 Å²	50	73.5 Å²	73.5	52%	0.515	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-0.9	-174.5	0	0	0	0	0	115	Q338 D351	Q338-G340 PolarHBondContact O-N 2.88Å; G340-D351 PolarHBondContact O-N 3.32Å
341	F	88.2	Confident	85	Confident	54 Å²	54	68.7 Å²	68.7	24%	0.237	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.4	172.2	-64.6	-103.2	0	0	0	110.7	N323 C337 Q338 A339 C348 T349 R350	N323-F341 HydrophobicContact CB-CD1 3.81Å; N323-F341 HydrophobicContact CB-CD2 4.38Å; N323-F341 HydrophobicContact CB-CE1 3.88Å; N323-F341 HydrophobicContact CB-CE2 4.43Å; N323-F341 HydrophobicContact CB-CG 4.09Å; N323-F341 HydrophobicContact CB-CZ 4.19Å; N323-F341 VanDerWaalsContact ND2-CE1 3.32Å; N323-F341 WeakPolarHBondContact ND2-CE1 3.27Å; C337-F341 HydrophobicContact CB-CB 3.94Å; Q338-F341 HydrophobicContact CB-CD2 3.97Å; Q338-F341 WeakPolarHBondContact O-CB 3.24Å; Q338-F341 PolarHBondContact O-N 3.36Å; A339-F341 VanDerWaalsContact C-N 3.34Å; F341-C348 HydrophobicContact CB-CB 4.1Å; F341-T349 CarbonylContact C-O 3.45Å; F341-T349 WeakPolarHBondContact CA-O 3.41Å; F341-T349 WeakPolarHBondContact CB-O 3.03Å; F341-R350 HydrophobicContact CD1-CB 4.22Å; F341-R350 HydrophobicContact CE1-CB 4.05Å
342	K	85.4	Confident	84.2	Confident	114 Å²	114	74.9 Å²	74.9	50%	0.496	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.2	174.2	-74.8	178.5	179.2	160.5	0	110	A344 C348 T349 D351	K342-A344 PolarHBondContact O-N 3.23Å; K342-C348 WeakPolarHBondContact O-CA 3.5Å; K342-T349 PolarHBondContact N-O 3.17Å; K342-T349 PolarHBondContact O-N 3.31Å; K342-D351 HydrophobicContact CD-CB 4.09Å; K342-D351 WeakPolarHBondContact CD-OD1 3.3Å; K342-D351 WeakPolarHBondContact CE-OD1 3.03Å; K342-D351 WeakPolarHBondContact CE-OD2 3.4Å; K342-D351 HydrophobicContact CG-CB 4.16Å; K342-D351 IonicContact NZ-OD1 2.81Å; K342-D351 PolarHBondContact NZ-OD1 3.43Å; K342-D351 IonicContact NZ-OD2 2.8Å; K342-D351 PolarHBondContact NZ-OD2 2.85Å
343	E	84.1	Confident	83	Confident	123 Å²	123	80.4 Å²	80.4	58%	0.575	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.6	176.7	-168.2	161.3	-152.4	0	0	109.7	R321 Y347	R321-E343 IonicContact CZ-OE1 2.71Å; R321-E343 IonicContact NH1-OE1 3.56Å; R321-E343 PolarHBondContact NH1-OE1 2.92Å; R321-E343 IonicContact NH2-OE1 3.62Å; E343-Y347 WeakPolarHBondContact CA-O 3.5Å
344	A	82.4	Confident	81.3	Confident	48 Å²	48	84.4 Å²	84.4	40%	0.397	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	120.8	176.2	0	0	0	0	0	109.1	K342 G346 Y347 T349	K342-A344 PolarHBondContact O-N 3.23Å; A344-G346 PolarHBondContact O-N 3.22Å; A344-Y347 PolarHBondContact N-O 3.22Å; A344-Y347 PolarHBondContact O-N 3.46Å; A344-Y347 VanDerWaalsContact O-N 3.12Å; A344-Y347 VanDerWaalsContact O-O 3.13Å; A344-T349 HydrophobicContact CB-CG2 4.24Å
345	G	80.6	Confident	79.6	Confident	82 Å²	82	86.5 Å²	86.5	85%	0.845	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	25.7	179.4	0	0	0	0	0	114.8	Y347	G345-Y347 WeakPolarHBondContact O-CD2 3.49Å
346	G	81	Confident	77.6	Confident	38 Å²	38	93.5 Å²	93.5	39%	0.392	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	1	-176.8	0	0	0	0	0	115.2	R321 A344	R321-G346 WeakPolarHBondContact CD-O 3.23Å; R321-G346 PolarHBondContact NH1-O 3.18Å; A344-G346 PolarHBondContact O-N 3.22Å
347	Y	83.6	Confident	75.5	Confident	153 Å²	153	97.7 Å²	97.7	60%	0.6	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.9	177.7	-63.8	-89	0	0	0	111.4	E343 A344 G345	E343-Y347 WeakPolarHBondContact CA-O 3.5Å; A344-Y347 PolarHBondContact N-O 3.22Å; A344-Y347 PolarHBondContact O-N 3.46Å; A344-Y347 VanDerWaalsContact O-N 3.12Å; A344-Y347 VanDerWaalsContact O-O 3.13Å; G345-Y347 WeakPolarHBondContact O-CD2 3.49Å
348	C	84.8	Confident	73.4	Confident	10 Å²	10	101.9 Å²	101.9	7%	0.068	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.3	174.4	-66.4	0	0	0	0	110.3	N323 T324 C337 F341 K342	N323-C348 HydrophobicContact CB-CB 3.98Å; T324-C348 WeakPolarHBondContact CG2-SG 3.45Å; C337-C348 WeakPolarHBondContact CA-SG 3.38Å; C337-C348 HydrophobicContact CB-CB 3.75Å; C337-C348 WeakPolarHBondContact CB-SG 3.42Å; C337-C348 VanDerWaalsContact SG-CA 3.51Å; C337-C348 WeakPolarHBondContact SG-CB 3.16Å; C337-C348 CovalentContact SG-SG 2.04Å; C337-C348 PolarHBondContact SG-SG 3.16Å; F341-C348 HydrophobicContact CB-CB 4.1Å; K342-C348 WeakPolarHBondContact O-CA 3.5Å
349	T	86.4	Confident	71.4	Confident	68 Å²	68	103 Å²	103	42%	0.417	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	149.3	178.7	63.2	0	0	0	0	110.4	F341 K342 A344 D351	F341-T349 CarbonylContact C-O 3.45Å; F341-T349 WeakPolarHBondContact CA-O 3.41Å; F341-T349 WeakPolarHBondContact CB-O 3.03Å; K342-T349 PolarHBondContact N-O 3.17Å; K342-T349 PolarHBondContact O-N 3.31Å; A344-T349 HydrophobicContact CB-CG2 4.24Å; T349-D351 PolarHBondContact O-N 3.19Å
350	R	80.8	Confident	69.4	Low	146 Å²	146	102.8 Å²	102.8	55%	0.551	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.8	-176.6	-167.6	171.3	65.9	110.9	-12.7	110.4	F341 F352	F341-R350 HydrophobicContact CD1-CB 4.22Å; F341-R350 HydrophobicContact CE1-CB 4.05Å; R350-F352 WeakPolarHBondContact O-CD2 3.47Å; R350-F352 PolarHBondContact O-N 2.8Å
351	D	76.2	Confident	67.8	Low	49 Å²	49	105.3 Å²	105.3	26%	0.262	55%	0.549	S	S	.	.			trans	-76.3	100.6	175.3	-168.5	35.6	0	0	0	108.8	G340 K342 T349 K353	G340-D351 PolarHBondContact O-N 3.32Å; K342-D351 HydrophobicContact CD-CB 4.09Å; K342-D351 WeakPolarHBondContact CD-OD1 3.3Å; K342-D351 WeakPolarHBondContact CE-OD1 3.03Å; K342-D351 WeakPolarHBondContact CE-OD2 3.4Å; K342-D351 HydrophobicContact CG-CB 4.16Å; K342-D351 IonicContact NZ-OD1 2.81Å; K342-D351 PolarHBondContact NZ-OD1 3.43Å; K342-D351 IonicContact NZ-OD2 2.8Å; K342-D351 PolarHBondContact NZ-OD2 2.85Å; T349-D351 PolarHBondContact O-N 3.19Å; D351-K353 VanDerWaalsContact C-N 3.27Å; D351-K353 PolarHBondContact O-N 2.93Å
352	F	68.5	Low	65.9	Low	145 Å²	145	107.6 Å²	107.6	64%	0.636	57%	0.567	S	S	*	*			trans	-75.3	86.1	168.4	-68.3	-94.9	0	0	0	108.2	R350 M354	R350-F352 WeakPolarHBondContact O-CD2 3.47Å; R350-F352 PolarHBondContact O-N 2.8Å; F352-M354 VanDerWaalsContact C-N 3.33Å; F352-M354 PolarHBondContact O-N 3.01Å
353	K	59.3	Low	63.9	Low	164 Å²	164	109.4 Å²	109.4	71%	0.713	58%	0.575	S	S	*	*			trans	-67.7	102.7	156.8	-72.6	-173.6	179.7	-179.2	0	106.3	D351 V355	D351-K353 VanDerWaalsContact C-N 3.27Å; D351-K353 PolarHBondContact O-N 2.93Å; K353-V355 PolarHBondContact O-N 3.23Å
354	M	49.9	Very low	62.3	Low	156 Å²	156	106 Å²	106	77%	0.768	57%	0.568	S	S	*	*			trans	-51.6	113.1	162	-68.9	-77	-79.2	0	0	105.7	F352 E356	F352-M354 VanDerWaalsContact C-N 3.33Å; F352-M354 PolarHBondContact O-N 3.01Å; M354-E356 PolarHBondContact O-N 3.03Å
355	V	51.5	Low	60.7	Low	110 Å²	110	110.7 Å²	110.7	67%	0.667	58%	0.582	S	S	*	*			trans	-68.1	92.1	168	176.5	0	0	0	0	104.4	K353 E357	K353-V355 PolarHBondContact O-N 3.23Å; V355-E357 HydrophobicContact CG1-CB 3.85Å; V355-E357 PolarHBondContact O-N 2.99Å
356	E	46.4	Very low	58.9	Low	177 Å²	177	109.7 Å²	109.7	83%	0.827	57%	0.565	S	S	*	*			trans	-77.2	33.7	171.1	-155.7	166.7	-154.7	0	0	110.4	M354	M354-E356 PolarHBondContact O-N 3.03Å
357	E	45.8	Very low	57.3	Low	153 Å²	153	111.8 Å²	111.8	72%	0.715	57%	0.57	S	S	*	*	S	Bend	trans	-108.5	99.1	166.7	-70.5	-177.6	170.7	0	0	106.4	V355	V355-E357 HydrophobicContact CG1-CB 3.85Å; V355-E357 PolarHBondContact O-N 2.99Å
358	N	44.3	Very low	55.5	Low	115 Å²	115	112.9 Å²	112.9	62%	0.615	58%	0.578	S	S	*	*	S	Bend	trans	100.8	17.1	170	-49.7	-51.4	0	0	0	118.8	P360 N361	N358-P360 VanDerWaalsContact C-N 3.27Å; N358-N361 PolarHBondContact O-N 2.99Å
359	L	46.7	Very low	53.6	Low	104 Å²	104	116.2 Å²	116.2	55%	0.545	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	-12.9	166.4	-143.7	78.2	0	0	0	115.9	N361	L359-N361 VanDerWaalsContact C-N 3.28Å; L359-N361 PolarHBondContact O-N 2.8Å
360	P	45.1	Very low	51.5	Low	100 Å²	100	121.8 Å²	121.8	65%	0.649	63%	0.625	S	S	*	*	H	α-helix	trans	-71.9	-14.8	171.3	-19.9	33	0	0	0	115.1	N358	N358-P360 VanDerWaalsContact C-N 3.27Å
361	N	53.4	Low	49.5	Very low	102 Å²	102	124.9 Å²	124.9	55%	0.545	64%	0.639	S	S	.	*	H	α-helix	trans	-100.3	-15.4	-170	-71.7	-11.2	0	0	0	115.4	N358 L359 H365	N358-N361 PolarHBondContact O-N 2.99Å; L359-N361 VanDerWaalsContact C-N 3.28Å; L359-N361 PolarHBondContact O-N 2.8Å; N361-H365 PolarHBondContact O-CD2 2.81Å
362	V	47.2	Very low	47.7	Very low	103 Å²	103	125.3 Å²	125.3	62%	0.624	66%	0.655	S	S	*	*	H	α-helix	trans	-81.8	-35.9	-180	-178.1	0	0	0	0	111.9
363	F	44.5	Very low	46.3	Very low	152 Å²	152	127.3 Å²	127.3	67%	0.667	66%	0.663	S	S	*	*	H	α-helix	trans	-79.7	-22.4	177.3	-73.1	-75.2	0	0	0	113.9	T367	F363-T367 PolarHBondContact O-N 3.35Å; F363-T367 PolarHBondContact O-OG1 3Å; F363-T367 VanDerWaalsContact O-OG1 3.11Å
364	A	50.7	Low	45.3	Very low	52 Å²	52	125.6 Å²	125.6	43%	0.43	66%	0.662	S	S	.	*	H	α-helix	trans	-72.7	-31.3	173.9	0	0	0	0	0	112.6	T367 K368	A364-T367 PolarHBondContact O-OG1 3.38Å; A364-K368 PolarHBondContact O-N 3.44Å
365	H	49.1	Very low	44.8	Very low	146 Å²	146	124.8 Å²	124.8	68%	0.676	67%	0.666	S	S	*	*	H	α-helix	trans	-79	-28.4	177.1	-89.1	-75.9	0	0	0	113.7	N361 A369	N361-H365 PolarHBondContact O-CD2 2.81Å; H365-A369 PolarHBondContact O-N 3.47Å
366	A	42.8	Very low	44.3	Very low	60 Å²	60	130.8 Å²	130.8	50%	0.496	68%	0.677	S	S	.	*	H	α-helix	trans	-69.4	-35.7	175	0	0	0	0	0	112.3	F370	A366-F370 PolarHBondContact O-N 3.38Å
367	T	45.6	Very low	44.2	Very low	83 Å²	83	128.6 Å²	128.6	51%	0.509	67%	0.67	S	S	.	*	H	α-helix	trans	-76.6	-31.2	178.9	43.8	0	0	0	0	112.9	F363 A364 F370 Y371	F363-T367 PolarHBondContact O-N 3.35Å; F363-T367 PolarHBondContact O-OG1 3Å; F363-T367 VanDerWaalsContact O-OG1 3.11Å; A364-T367 PolarHBondContact O-OG1 3.38Å; T367-F370 PolarHBondContact O-N 3.23Å; T367-Y371 PolarHBondContact O-N 3.11Å
368	K	47.4	Very low	43.9	Very low	175 Å²	175	127.9 Å²	127.9	76%	0.761	67%	0.67	S	S	*	*	H	α-helix	trans	-74.5	-24.5	176.4	-136.7	174.2	-171.3	176.6	0	113.8	A364	A364-K368 PolarHBondContact O-N 3.44Å
369	A	45	Very low	44	Very low	81 Å²	81	130 Å²	130	67%	0.669	68%	0.681	S	S	*	*	H	α-helix	trans	-78	-27.1	173.8	0	0	0	0	0	113.2	H365	H365-A369 PolarHBondContact O-N 3.47Å
370	F	40.9	Very low	43.9	Very low	184 Å²	184	131.6 Å²	131.6	81%	0.807	69%	0.688	S	S	*	*	H	α-helix	trans	-90.2	-24.5	-175.2	-130.3	-93.1	0	0	0	114.5	A366 T367	A366-F370 PolarHBondContact O-N 3.38Å; T367-F370 PolarHBondContact O-N 3.23Å
371	Y	38.6	Very low	43.9	Very low	211 Å²	211	131.7 Å²	131.7	83%	0.827	68%	0.683	S	S	*	*	S	Bend	trans	-92.6	8.8	176.6	-77.1	-78.6	0	0	0	114.6	T367	T367-Y371 PolarHBondContact O-N 3.11Å
372	G	39.7	Very low	43.6	Very low	59 Å²	59	131.5 Å²	131.5	61%	0.608	69%	0.685	S	S	*	*	S	Bend	trans	-90.4	-4.8	-176.8	0	0	0	0	0	116.8
373	K	38.4	Very low	43.7	Very low	186 Å²	186	133.2 Å²	133.2	81%	0.809	69%	0.689	S	S	*	*	S	Bend	trans	-142.7	124.8	-179.3	-87.8	179.4	175.5	174.9	0	112.6
374	N	37.9	Very low	43.8	Very low	129 Å²	129	130.5 Å²	130.5	69%	0.69	69%	0.685	S	S	*	*			trans	78.2	71.8	161.2	-63.2	-4.8	0	0	0	117.7	W376	N374-W376 PolarHBondContact O-N 3.48Å
375	T	39.9	Very low	43.7	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	23.1	162.4	38	0	0	0	0	115.3
376	W	41.3	Very low	43.7	Very low	237 Å²	237	129.6 Å²	129.6	90%	0.898	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	13.8	-177.5	-89.4	69.4	0	0	0	116	N374	N374-W376 PolarHBondContact O-N 3.48Å
377	L	43	Very low	43.8	Very low	131 Å²	131	135.2 Å²	135.2	69%	0.686	70%	0.701	S	S	*	*	S	Bend	trans	-127.3	3.7	177.1	-99.6	124.3	0	0	0	116.9
378	L	39.9	Very low	43.7	Very low	138 Å²	138	137.2 Å²	137.2	72%	0.723	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	7.7	-178.8	-80.3	164.5	0	0	0	115.8
379	L	46	Very low	43.4	Very low	159 Å²	159	138.8 Å²	138.8	83%	0.832	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-5.2	171.3	-89.9	165.3	0	0	0	114.6
380	I	45.3	Very low	43.3	Very low	137 Å²	137	141.3 Å²	141.3	70%	0.703	71%	0.711	S	S	*	*	S	Bend	trans	-105	-17.8	-177.5	-62.6	177.2	0	0	0	113.4
381	I	44.9	Very low	43.5	Very low	103 Å²	103	139.2 Å²	139.2	53%	0.528	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-90.6	-12.4	-174.8	-59.8	177.4	0	0	0	113.4	I383 V384	I381-I383 PolarHBondContact O-N 3.33Å; I381-V384 PolarHBondContact O-N 2.87Å
382	T	47	Very low	43.7	Very low	97 Å²	97	137.7 Å²	137.7	60%	0.595	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-69.1	-12.8	176.8	45	0	0	0	0	114.3
383	I	49	Very low	43.8	Very low	139 Å²	139	140.3 Å²	140.3	71%	0.713	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-85.4	-25.7	177.4	-61.3	177.2	0	0	0	112.3	I381	I381-I383 PolarHBondContact O-N 3.33Å
384	V	48.2	Very low	44.1	Very low	95 Å²	95	140 Å²	140	58%	0.576	71%	0.713	S	S	*	*	H	α-helix	trans	-85.9	-27.9	-174.9	-177.1	0	0	0	0	112.4	I381 V386	I381-V384 PolarHBondContact O-N 2.87Å; V384-V386 PolarHBondContact O-N 3.02Å
385	S	47.4	Very low	44.3	Very low	77 Å²	77	138.2 Å²	138.2	54%	0.538	71%	0.71	S	S	.	*	H	α-helix	trans	-78.6	-21.2	-175.5	-44.8	0	0	0	0	114.5
386	V	49.4	Very low	44.3	Very low	103 Å²	103	140.7 Å²	140.7	62%	0.624	71%	0.71	S	S	*	*	H	α-helix	trans	-75.6	-28.3	179.3	-177.9	0	0	0	0	111.6	V384	V384-V386 PolarHBondContact O-N 3.02Å
387	K	44.3	Very low	44	Very low	178 Å²	178	141.6 Å²	141.6	77%	0.774	71%	0.713	S	S	*	*	H	α-helix	trans	-78.4	-21.2	178.8	-105.4	-178	177.1	180	0	114.5
388	L	45.2	Very low	44.1	Very low	124 Å²	124	143.5 Å²	143.5	65%	0.649	75%	0.748	S	S	*	*	H	α-helix	trans	-92.5	-14.4	-179.9	-88.7	154.5	0	0	0	114.1
389	W	40.1	Very low	44.3	Very low	208 Å²	208	143.8 Å²	143.8	79%	0.788	75%	0.749	S	S	*	*	H	α-helix	trans	-82.6	-25.5	176.9	-131	42	0	0	0	113.7	L391	W389-L391 VanDerWaalsContact C-N 3.29Å; W389-L391 PolarHBondContact O-N 3.5Å
390	N	43.2	Very low	44.2	Very low	134 Å²	134	143 Å²	143	72%	0.717	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-7.7	176.8	-81.5	-13.3	0	0	0	114.8
391	L	45	Very low	44.1	Very low	141 Å²	141	143.3 Å²	143.3	74%	0.738	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-5.1	-179.8	-92.4	154	0	0	0	114.8	W389	W389-L391 VanDerWaalsContact C-N 3.29Å; W389-L391 PolarHBondContact O-N 3.5Å
392	K	42.4	Very low	44.1	Very low	179 Å²	179	145.7 Å²	145.7	78%	0.778	76%	0.76	S	S	*	*	S	Bend	trans	-111.3	0	179.7	-95.2	-175.8	175.5	-178.7	0	116.3
393	V	42.1	Very low	43.9	Very low	114 Å²	114	148.8 Å²	148.8	69%	0.691	77%	0.771	S	S	*	*	S	Bend	trans	-95.1	-10.6	176.8	-176	0	0	0	0	113	S395	V393-S395 PolarHBondContact O-N 3.37Å
394	M	44.3	Very low	43.6	Very low	180 Å²	180	149.4 Å²	149.4	89%	0.887	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	12.8	-179.4	-72.8	-145.1	73.9	0	0	116.2
395	S	42.4	Very low	43.2	Very low	91 Å²	91	153.3 Å²	153.3	64%	0.636	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	22.2	179.4	78.4	0	0	0	0	115.6	V393	V393-S395 PolarHBondContact O-N 3.37Å
396	F	40.3	Very low	42.9	Very low	189 Å²	189	159.2 Å²	159.2	83%	0.829	81%	0.808	S	S	*	*	S	Bend	trans	-134.4	15.1	176.8	-109.1	-83.5	0	0	0	116
397	W	33.8	Very low	42.4	Very low	256 Å²	256	163.8 Å²	163.8	97%	0.97	82%	0.823	S	S	*	*			trans	-135.3	76.5	167.4	-76.6	73.1	0	0	0	109.3
398	A	45.4	Very low	42.2	Very low	172 Å²	172	162.5 Å²	162.5	100%	1.421	83%	0.828	S	S	*	*			trans	-115.1	0	146.3	0	0	0	0	0	105.5

Retrieved 398 of 398 residues in 448.7 ms (Link to these results)

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