A0A087YFS0_POEFO Loading...

IQ motif and ubiquitin domain containing

AlphaFold DB , UniProt , Accession A0A087YFS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 648 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	E	40.4	Very low	63.8	Low	219 Å²	219	85.8 Å²	85.8	100%	1.023	46%	0.458	S	S	*	.				0	-19	0	-71.3	175.3	161.4	0	0	114.5	N3	E1-N3 VanDerWaalsContact C-N 3.25Å; E1-N3 PolarHBondContact O-N 3.01Å
2	T	41.5	Very low	65.5	Low	139 Å²	139	86.2 Å²	86.2	85%	0.853	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.3	-179.1	42.7	0	0	0	0	116.1
3	N	53.3	Low	66.9	Low	137 Å²	137	79.7 Å²	79.7	73%	0.733	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-6.5	-177.1	-139.8	5.8	0	0	0	114.3	E1	E1-N3 VanDerWaalsContact C-N 3.25Å; E1-N3 PolarHBondContact O-N 3.01Å
4	V	56.9	Low	68.1	Low	59 Å²	59	76.4 Å²	76.4	36%	0.358	40%	0.401	S	S	.	.	S	Bend	trans	-83.2	-31	-177.5	-175.8	0	0	0	0	111.9	N6 S7 M66 P72	V4-N6 VanDerWaalsContact C-N 3.28Å; V4-N6 PolarHBondContact O-N 3.16Å; V4-S7 WeakPolarHBondContact O-CB 3.44Å; V4-S7 PolarHBondContact O-N 2.8Å; V4-S7 VanDerWaalsContact O-N 3.14Å; V4-S7 PolarHBondContact O-OG 3.05Å; V4-M66 HydrophobicContact CG1-CE 4.08Å; V4-P72 HydrophobicContact CG1-CG 3.93Å
5	K	56	Low	69	Low	137 Å²	137	71.5 Å²	71.5	60%	0.596	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.9	-177.4	-74.3	-170.5	173.1	-170.2	0	114.2	G29	K5-G29 PolarHBondContact O-N 3.38Å
6	N	61.2	Low	69.5	Low	129 Å²	129	70.7 Å²	70.7	69%	0.69	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-2	177.2	-74.6	-0.8	0	0	0	113.3	V4	V4-N6 VanDerWaalsContact C-N 3.28Å; V4-N6 PolarHBondContact O-N 3.16Å
7	S	73.8	Confident	69.1	Low	23 Å²	23	73.5 Å²	73.5	16%	0.161	40%	0.397	C	S	.	.			trans	-65.4	139.4	170.7	-62.8	0	0	0	0	109.5	V4 I28	V4-S7 WeakPolarHBondContact O-CB 3.44Å; V4-S7 PolarHBondContact O-N 2.8Å; V4-S7 VanDerWaalsContact O-N 3.14Å; V4-S7 PolarHBondContact O-OG 3.05Å; S7-I28 WeakPolarHBondContact O-CD1 3.25Å; S7-I28 WeakPolarHBondContact O-CG1 3.41Å; S7-I28 PolarHBondContact O-N 2.86Å
8	T	77.6	Confident	68.9	Low	59 Å²	59	71.7 Å²	71.7	36%	0.362	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	144.4	-179.7	50.4	0	0	0	0	110.6	F26 H73	T8-F26 CarbonylContact C-O 3.57Å; T8-F26 WeakPolarHBondContact CA-O 3.49Å; T8-H73 VanDerWaalsContact O-CA 3.3Å; T8-H73 WeakPolarHBondContact O-CA 3.18Å; T8-H73 PolarHBondContact O-N 3.5Å; T8-H73 PolarHBondContact O-ND1 3.48Å
9	A	79.3	Confident	68.8	Low	1 Å²	1	70.6 Å²	70.6	1%	0.008	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.9	166.5	0	0	0	0	0	108.7	A25 F26 I28 I70 S74	A9-A25 WeakPolarHBondContact O-CA 3.29Å; A9-F26 PolarHBondContact N-O 3.46Å; A9-F26 PolarHBondContact O-N 3.13Å; A9-I28 HydrophobicContact CB-CD1 4.11Å; A9-I28 HydrophobicContact CB-CG1 3.6Å; A9-I70 HydrophobicContact CB-CG2 3.78Å; A9-S74 WeakPolarHBondContact CA-O 3.34Å; A9-S74 WeakPolarHBondContact CB-O 3.23Å
10	T	80.3	Confident	69	Low	40 Å²	40	71.7 Å²	71.7	25%	0.245	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.3	178	45.3	0	0	0	0	109	A25 S74 S75 T76	T10-A25 HydrophobicContact CG2-CB 4.34Å; T10-S74 PolarHBondContact N-O 3.39Å; T10-S74 PolarHBondContact OG1-O 2.79Å; T10-S75 CarbonylContact O-C 3.58Å; T10-S75 WeakPolarHBondContact O-CA 3.28Å; T10-S75 VanDerWaalsContact OG1-CA 3.3Å; T10-S75 WeakPolarHBondContact OG1-CA 3.39Å; T10-S75 VanDerWaalsContact OG1-CB 3.25Å; T10-S75 WeakPolarHBondContact OG1-CB 3.49Å; T10-T76 PolarHBondContact O-N 2.91Å
11	V	82.1	Confident	69.2	Low	1 Å²	1	71.8 Å²	71.8	1%	0.006	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.5	179.4	-173.6	0	0	0	0	108.7	V13 M24 F26 L65 T76 M78	V11-V13 HydrophobicContact CG1-CG2 3.88Å; V11-M24 PolarHBondContact N-O 3.45Å; V11-M24 PolarHBondContact O-N 2.95Å; V11-F26 HydrophobicContact CB-CD2 3.98Å; V11-F26 HydrophobicContact CB-CE2 4.39Å; V11-F26 HydrophobicContact CG2-CD2 3.91Å; V11-L65 HydrophobicContact CG2-CD1 4.04Å; V11-T76 CarbonylContact C-O 3.55Å; V11-T76 WeakPolarHBondContact CA-O 3.23Å; V11-M78 HydrophobicContact CG1-CB 4.22Å; V11-M78 HydrophobicContact CG1-CG 4.09Å; V11-M78 HydrophobicContact CG1-SD 3.83Å
12	K	83.5	Confident	70.9	Confident	90 Å²	90	62 Å²	62	39%	0.391	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	103.8	173	-66.1	-173.5	177.9	-178.1	0	108.5	V21 M22 T23 T76 Q77 M78	K12-V21 HydrophobicContact CB-CG1 4.05Å; K12-M22 CarbonylContact C-O 3.54Å; K12-M22 WeakPolarHBondContact CA-O 3.42Å; K12-T23 HydrophobicContact CG-CG2 3.94Å; K12-T76 PolarHBondContact N-O 3.35Å; K12-Q77 CarbonylContact O-C 3.58Å; K12-Q77 VanDerWaalsContact O-CA 3.28Å; K12-Q77 WeakPolarHBondContact O-CA 3.22Å; K12-M78 PolarHBondContact O-N 3.18Å
13	V	84.3	Confident	72.6	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.9	-179.6	-173.7	0	0	0	0	109.6	V11 L15 V21 M22 L39 L52 M78 M80	V11-V13 HydrophobicContact CG1-CG2 3.88Å; V13-L15 HydrophobicContact CG1-CD2 4.5Å; V13-V21 WeakPolarHBondContact O-CA 3.48Å; V13-M22 PolarHBondContact N-O 2.88Å; V13-M22 PolarHBondContact O-N 2.89Å; V13-L39 HydrophobicContact CG2-CD1 4.31Å; V13-L39 HydrophobicContact CG2-CD2 4.42Å; V13-L52 HydrophobicContact CG1-CD2 4.36Å; V13-M78 CarbonylContact C-O 3.38Å; V13-M78 VanDerWaalsContact CA-O 3.27Å; V13-M78 WeakPolarHBondContact CA-O 3.4Å; V13-M80 HydrophobicContact CG1-CB 3.61Å; V13-M80 HydrophobicContact CG1-CE 4.08Å; V13-M80 HydrophobicContact CG1-SD 4.46Å
14	L	82.7	Confident	73.7	Confident	34 Å²	34	54.3 Å²	54.3	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119	174	-176.9	73.8	0	0	0	109.7	V16 V21 M78 E79 M80	L14-V16 HydrophobicContact CD2-CG2 4.41Å; L14-V16 HydrophobicContact CG-CG2 4.45Å; L14-V21 HydrophobicContact CD1-CG2 3.47Å; L14-V21 VanDerWaalsContact CD1-CG2 3.47Å; L14-M78 PolarHBondContact N-O 2.96Å; L14-E79 HydrophobicContact CB-CG 4.38Å; L14-E79 HydrophobicContact CD2-CG 4.27Å; L14-E79 CarbonylContact O-C 3.56Å; L14-E79 WeakPolarHBondContact O-CA 3.42Å; L14-M80 PolarHBondContact O-N 3.4Å
15	L	82.2	Confident	74.8	Confident	2 Å²	2	54 Å²	54	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116	178.6	-57	177.4	0	0	0	110.4	V13 G18 G19 H20 L43 M80 L90 L92	V13-L15 HydrophobicContact CG1-CD2 4.5Å; L15-G18 CarbonylContact O-C 3.59Å; L15-G18 PolarHBondContact O-N 3.33Å; L15-G19 PolarHBondContact O-N 2.81Å; L15-H20 HydrophobicContact CD1-CB 4.35Å; L15-H20 PolarHBondContact N-O 2.84Å; L15-L43 HydrophobicContact CD1-CD2 4.43Å; L15-L43 HydrophobicContact CD2-CD1 4.08Å; L15-M80 HydrophobicContact CD2-CB 4.31Å; L15-M80 HydrophobicContact CD2-CE 3.14Å; L15-L90 HydrophobicContact CD2-CD1 4.43Å; L15-L92 HydrophobicContact CD1-CD1 4.09Å; L15-L92 HydrophobicContact CD1-CG 3.89Å
16	V	77.4	Confident	76	Confident	59 Å²	59	48 Å²	48	36%	0.358	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.2	-179.8	-176.8	0	0	0	0	109.5	L14 M80	L14-V16 HydrophobicContact CD2-CG2 4.41Å; L14-V16 HydrophobicContact CG-CG2 4.45Å; V16-M80 PolarHBondContact N-O 3.34Å
17	P	62.6	Low	77.1	Confident	118 Å²	118	43.2 Å²	43.2	77%	0.766	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	-1.5	9.5	35.1	-35.6	0	0	0	115.3	G19	P17-G19 VanDerWaalsContact C-N 3.26Å; P17-G19 PolarHBondContact O-N 3.01Å
18	G	65.4	Low	77.4	Confident	41 Å²	41	42.2 Å²	42.2	42%	0.423	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.8	-171.3	0	0	0	0	0	115.8	L15 H20	L15-G18 CarbonylContact O-C 3.59Å; L15-G18 PolarHBondContact O-N 3.33Å; G18-H20 PolarHBondContact O-CE1 3.03Å; G18-H20 PolarHBondContact O-N 2.8Å; G18-H20 PolarHBondContact O-ND1 2.82Å
19	G	66.4	Low	77.3	Confident	51 Å²	51	41 Å²	41	53%	0.526	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	10	178.3	0	0	0	0	0	115.4	L15 P17	L15-G19 PolarHBondContact O-N 2.81Å; P17-G19 VanDerWaalsContact C-N 3.26Å; P17-G19 PolarHBondContact O-N 3.01Å
20	H	72.8	Confident	77.4	Confident	93 Å²	93	43.2 Å²	43.2	43%	0.431	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.9	-178.5	-65.9	65.1	0	0	0	110.7	L15 G18 L92	L15-H20 HydrophobicContact CD1-CB 4.35Å; L15-H20 PolarHBondContact N-O 2.84Å; G18-H20 PolarHBondContact O-CE1 3.03Å; G18-H20 PolarHBondContact O-N 2.8Å; G18-H20 PolarHBondContact O-ND1 2.82Å; H20-L92 HydrophobicContact CB-CD1 3.72Å
21	V	74.8	Confident	77.7	Confident	73 Å²	73	42.4 Å²	42.4	44%	0.442	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.7	179	-178.3	0	0	0	0	110.1	K12 V13 L14	K12-V21 HydrophobicContact CB-CG1 4.05Å; V13-V21 WeakPolarHBondContact O-CA 3.48Å; L14-V21 HydrophobicContact CD1-CG2 3.47Å; L14-V21 VanDerWaalsContact CD1-CG2 3.47Å
22	M	74.6	Confident	77.8	Confident	15 Å²	15	42.4 Å²	42.4	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.9	170.7	-169.7	165.4	72.1	0	0	109.4	K12 V13 M24 L39 L92	K12-M22 CarbonylContact C-O 3.54Å; K12-M22 WeakPolarHBondContact CA-O 3.42Å; V13-M22 PolarHBondContact N-O 2.88Å; V13-M22 PolarHBondContact O-N 2.89Å; M22-M24 HydrophobicContact CE-SD 3.86Å; M22-M24 HydrophobicContact CG-CG 4.23Å; M22-M24 HydrophobicContact SD-SD 4.36Å; M22-L39 HydrophobicContact CE-CD2 3.09Å; M22-L39 HydrophobicContact CE-CG 4.45Å; M22-L92 HydrophobicContact CG-CD2 4.44Å; M22-L92 HydrophobicContact SD-CD2 3.86Å
23	T	78.3	Confident	77.8	Confident	69 Å²	69	42.4 Å²	42.4	42%	0.423	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	179.6	-53.5	0	0	0	0	109.2	K12	K12-T23 HydrophobicContact CG-CG2 3.94Å
24	M	76.5	Confident	77.8	Confident	44 Å²	44	46.7 Å²	46.7	22%	0.217	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.2	177.6	-62.6	-173.9	87.7	0	0	110.5	V11 M22 F26 L39 E42	V11-M24 PolarHBondContact N-O 3.45Å; V11-M24 PolarHBondContact O-N 2.95Å; M22-M24 HydrophobicContact CE-SD 3.86Å; M22-M24 HydrophobicContact CG-CG 4.23Å; M22-M24 HydrophobicContact SD-SD 4.36Å; M24-F26 HydrophobicContact CB-CD2 4.33Å; M24-F26 HydrophobicContact CB-CE2 3.63Å; M24-F26 HydrophobicContact CB-CZ 3.89Å; M24-F26 HydrophobicContact SD-CE2 4.49Å; M24-F26 HydrophobicContact SD-CZ 3.96Å; M24-L39 HydrophobicContact SD-CD2 3.99Å; M24-E42 VanDerWaalsContact CE-CD 3.46Å; M24-E42 HydrophobicContact CE-CG 4.42Å; M24-E42 VanDerWaalsContact CE-OE1 3.23Å; M24-E42 WeakPolarHBondContact CE-OE1 3.42Å
25	A	80.1	Confident	77.9	Confident	53 Å²	53	45.2 Å²	45.2	44%	0.438	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.1	175.3	0	0	0	0	0	110.1	A9 T10	A9-A25 WeakPolarHBondContact O-CA 3.29Å; T10-A25 HydrophobicContact CG2-CB 4.34Å
26	F	81.4	Confident	78.1	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.7	177	-66.4	-74.7	0	0	0	110.4	T8 A9 V11 M24 L30 I35 H38 L39 L65	T8-F26 CarbonylContact C-O 3.57Å; T8-F26 WeakPolarHBondContact CA-O 3.49Å; A9-F26 PolarHBondContact N-O 3.46Å; A9-F26 PolarHBondContact O-N 3.13Å; V11-F26 HydrophobicContact CB-CD2 3.98Å; V11-F26 HydrophobicContact CB-CE2 4.39Å; V11-F26 HydrophobicContact CG2-CD2 3.91Å; M24-F26 HydrophobicContact CB-CD2 4.33Å; M24-F26 HydrophobicContact CB-CE2 3.63Å; M24-F26 HydrophobicContact CB-CZ 3.89Å; M24-F26 HydrophobicContact SD-CE2 4.49Å; M24-F26 HydrophobicContact SD-CZ 3.96Å; F26-L30 HydrophobicContact CB-CD1 4.33Å; F26-L30 HydrophobicContact CD1-CD1 4.28Å; F26-I35 HydrophobicContact CB-CD1 4.47Å; F26-I35 HydrophobicContact CD1-CG1 4.08Å; F26-I35 HydrophobicContact CD2-CG2 4.29Å; F26-I35 HydrophobicContact CE1-CG1 4.46Å; F26-I35 HydrophobicContact CE1-CG2 4.26Å; F26-I35 HydrophobicContact CE2-CG2 3.96Å; F26-I35 HydrophobicContact CG-CD1 4.44Å; F26-I35 HydrophobicContact CG-CG1 4.17Å; F26-I35 HydrophobicContact CZ-CG2 3.95Å; F26-H38 HydrophobicContact CE1-CB 4.13Å; F26-L39 HydrophobicContact CZ-CD2 4.28Å; F26-L65 HydrophobicContact CB-CD1 3.95Å
27	A	82.6	Confident	78.3	Confident	27 Å²	27	48.3 Å²	48.3	22%	0.223	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.6	169.5	0	0	0	0	0	109.4	G29 L30	A27-G29 PolarHBondContact O-N 2.87Å; A27-L30 HydrophobicContact CB-CD1 4.11Å; A27-L30 HydrophobicContact CB-CG 4.11Å; A27-L30 WeakPolarHBondContact O-CB 3.3Å; A27-L30 WeakPolarHBondContact O-CG 3.38Å; A27-L30 PolarHBondContact O-N 2.89Å
28	I	79.8	Confident	79.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.8	-168.7	-60.4	153.7	0	0	0	112	S7 A9 L30 L65 M66 P72	S7-I28 WeakPolarHBondContact O-CD1 3.25Å; S7-I28 WeakPolarHBondContact O-CG1 3.41Å; S7-I28 PolarHBondContact O-N 2.86Å; A9-I28 HydrophobicContact CB-CD1 4.11Å; A9-I28 HydrophobicContact CB-CG1 3.6Å; I28-L30 VanDerWaalsContact C-N 3.29Å; I28-L65 HydrophobicContact CG2-CB 4.19Å; I28-L65 PolarHBondContact O-N 3.22Å; I28-M66 HydrophobicContact CG2-CB 3.7Å; I28-M66 HydrophobicContact CG2-CG 4.16Å; I28-M66 PolarHBondContact O-N 3.29Å; I28-M66 VanDerWaalsContact O-N 3.11Å; I28-P72 HydrophobicContact CD1-CB 3.99Å; I28-P72 HydrophobicContact CD1-CG 4.06Å
29	G	76.1	Confident	80	Confident	34 Å²	34	45.4 Å²	45.4	35%	0.351	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.3	173.6	0	0	0	0	0	115.3	K5 A27	K5-G29 PolarHBondContact O-N 3.38Å; A27-G29 PolarHBondContact O-N 2.87Å
30	L	82.3	Confident	80.7	Confident	47 Å²	47	43.5 Å²	43.5	25%	0.246	24%	0.241	C	C	.	.	S	Bend	trans	-71.7	143.4	178.4	-69.3	171.1	0	0	0	111.3	F26 A27 I28 E34 I35 S64 L65	F26-L30 HydrophobicContact CB-CD1 4.33Å; F26-L30 HydrophobicContact CD1-CD1 4.28Å; A27-L30 HydrophobicContact CB-CD1 4.11Å; A27-L30 HydrophobicContact CB-CG 4.11Å; A27-L30 WeakPolarHBondContact O-CB 3.3Å; A27-L30 WeakPolarHBondContact O-CG 3.38Å; A27-L30 PolarHBondContact O-N 2.89Å; I28-L30 VanDerWaalsContact C-N 3.29Å; L30-E34 WeakPolarHBondContact CD2-OE2 3.33Å; L30-I35 HydrophobicContact CB-CD1 4.48Å; L30-I35 HydrophobicContact CB-CG1 4.31Å; L30-S64 VanDerWaalsContact O-CA 3.32Å; L30-S64 WeakPolarHBondContact O-CA 3.22Å; L30-L65 PolarHBondContact O-N 3.02Å
31	S	85.1	Confident	81	Confident	23 Å²	23	42.5 Å²	42.5	16%	0.161	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-75.1	154.1	172.4	63.2	0	0	0	0	111	E33 E34 I35 Q63	S31-E33 PolarHBondContact O-N 3.26Å; S31-E34 PolarHBondContact N-OE2 3.1Å; S31-E34 PolarHBondContact O-N 2.86Å; S31-E34 VanDerWaalsContact OG-CG 3.24Å; S31-E34 WeakPolarHBondContact OG-CG 2.99Å; S31-E34 PolarHBondContact OG-N 2.86Å; S31-E34 PolarHBondContact OG-OE2 3.43Å; S31-I35 WeakPolarHBondContact O-CG1 3.46Å; S31-I35 PolarHBondContact O-N 3.3Å; S31-I35 VanDerWaalsContact O-N 3.12Å; S31-Q63 WeakPolarHBondContact CA-O 3.47Å
32	I	85	Confident	81	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-30.9	177.2	-64.2	141.5	0	0	0	111.2	I35 K36 L52 V59 E60 E61 Q63 L68	I32-I35 PolarHBondContact O-N 3.43Å; I32-K36 HydrophobicContact CG2-CG 4.35Å; I32-K36 WeakPolarHBondContact O-CG 3.45Å; I32-K36 PolarHBondContact O-N 2.67Å; I32-L52 HydrophobicContact CG2-CD1 3.79Å; I32-V59 HydrophobicContact CD1-CB 3.89Å; I32-V59 HydrophobicContact CD1-CG1 3.16Å; I32-V59 HydrophobicContact CG1-CG1 4.16Å; I32-E60 WeakPolarHBondContact CD1-O 3.48Å; I32-E61 PolarHBondContact N-O 2.87Å; I32-Q63 HydrophobicContact CD1-CB 3.8Å; I32-Q63 WeakPolarHBondContact CD1-O 3.23Å; I32-Q63 WeakPolarHBondContact CG1-O 3.3Å; I32-Q63 PolarHBondContact N-O 3.45Å; I32-L68 HydrophobicContact CD1-CD1 4.01Å; I32-L68 HydrophobicContact CG1-CD1 4.33Å
33	E	84.3	Confident	81.1	Confident	90 Å²	90	43.7 Å²	43.7	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-58.1	-47.1	173.4	-164.8	178.1	169.6	0	0	111.9	S31 I35 K36 H37 E61	S31-E33 PolarHBondContact O-N 3.26Å; E33-I35 VanDerWaalsContact C-N 3.33Å; E33-I35 PolarHBondContact O-N 3.35Å; E33-K36 PolarHBondContact O-N 3.1Å; E33-H37 PolarHBondContact O-N 3.48Å; E33-E61 HydrophobicContact CB-CB 4.11Å; E33-E61 PolarHBondContact N-O 3.35Å
34	E	83.3	Confident	81	Confident	92 Å²	92	47.8 Å²	47.8	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.9	-69.3	163.3	149.6	0	0	111.5	L30 S31 H37 H38	L30-E34 WeakPolarHBondContact CD2-OE2 3.33Å; S31-E34 PolarHBondContact N-OE2 3.1Å; S31-E34 PolarHBondContact O-N 2.86Å; S31-E34 VanDerWaalsContact OG-CG 3.24Å; S31-E34 WeakPolarHBondContact OG-CG 2.99Å; S31-E34 PolarHBondContact OG-N 2.86Å; S31-E34 PolarHBondContact OG-OE2 3.43Å; E34-H37 PolarHBondContact O-N 2.65Å; E34-H38 PolarHBondContact O-CD2 3.48Å; E34-H38 VanDerWaalsContact O-CD2 3.25Å; E34-H38 PolarHBondContact O-N 3.33Å
35	I	84.5	Confident	81.2	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.8	174.8	-64.3	169	0	0	0	110.3	F26 L30 S31 I32 E33 H37 H38 L39 L52 L65	F26-I35 HydrophobicContact CB-CD1 4.47Å; F26-I35 HydrophobicContact CD1-CG1 4.08Å; F26-I35 HydrophobicContact CD2-CG2 4.29Å; F26-I35 HydrophobicContact CE1-CG1 4.46Å; F26-I35 HydrophobicContact CE1-CG2 4.26Å; F26-I35 HydrophobicContact CE2-CG2 3.96Å; F26-I35 HydrophobicContact CG-CD1 4.44Å; F26-I35 HydrophobicContact CG-CG1 4.17Å; F26-I35 HydrophobicContact CZ-CG2 3.95Å; L30-I35 HydrophobicContact CB-CD1 4.48Å; L30-I35 HydrophobicContact CB-CG1 4.31Å; S31-I35 WeakPolarHBondContact O-CG1 3.46Å; S31-I35 PolarHBondContact O-N 3.3Å; S31-I35 VanDerWaalsContact O-N 3.12Å; I32-I35 PolarHBondContact O-N 3.43Å; E33-I35 VanDerWaalsContact C-N 3.33Å; E33-I35 PolarHBondContact O-N 3.35Å; I35-H37 VanDerWaalsContact C-N 3.3Å; I35-H37 PolarHBondContact O-N 2.76Å; I35-H38 PolarHBondContact O-N 3.23Å; I35-L39 HydrophobicContact CG2-CD1 3.86Å; I35-L39 HydrophobicContact CG2-CG 4.33Å; I35-L39 VanDerWaalsContact O-CG 3.26Å; I35-L39 WeakPolarHBondContact O-CG 3.44Å; I35-L39 PolarHBondContact O-N 2.86Å; I35-L52 HydrophobicContact CG2-CD1 4.47Å; I35-L65 HydrophobicContact CD1-CD1 3.58Å; I35-L65 HydrophobicContact CD1-CD2 3.74Å; I35-L65 HydrophobicContact CD1-CG 3.58Å
36	K	86.4	Confident	81.3	Confident	10 Å²	10	46 Å²	46	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-41.3	174.9	-74.7	-171.2	-179.1	-173.4	0	111.2	I32 E33 H38 L39 A40 L47 L50 L52 E61	I32-K36 HydrophobicContact CG2-CG 4.35Å; I32-K36 WeakPolarHBondContact O-CG 3.45Å; I32-K36 PolarHBondContact O-N 2.67Å; E33-K36 PolarHBondContact O-N 3.1Å; K36-H38 VanDerWaalsContact C-N 3.32Å; K36-H38 PolarHBondContact O-N 3.14Å; K36-L39 PolarHBondContact O-N 2.87Å; K36-A40 WeakPolarHBondContact O-CB 3.27Å; K36-A40 PolarHBondContact O-N 3.19Å; K36-L47 HydrophobicContact CB-CD1 3.41Å; K36-L47 VanDerWaalsContact CB-CD1 3.41Å; K36-L50 WeakPolarHBondContact CE-O 3.5Å; K36-L50 PolarHBondContact NZ-O 2.81Å; K36-L52 HydrophobicContact CG-CD1 3.48Å; K36-L52 VanDerWaalsContact CG-CD1 3.48Å; K36-L52 HydrophobicContact CG-CG 4.05Å; K36-E61 IonicContact NZ-OE1 3.1Å; K36-E61 PolarHBondContact NZ-OE1 3.45Å
37	H	82.8	Confident	81.2	Confident	116 Å²	116	47.9 Å²	47.9	54%	0.537	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-39.9	177.6	-168.7	-68.8	0	0	0	111.9	E33 E34 I35 S41 L47	E33-H37 PolarHBondContact O-N 3.48Å; E34-H37 PolarHBondContact O-N 2.65Å; I35-H37 VanDerWaalsContact C-N 3.3Å; I35-H37 PolarHBondContact O-N 2.76Å; H37-S41 PolarHBondContact O-N 3.28Å; H37-S41 VanDerWaalsContact O-N 3.12Å; H37-L47 HydrophobicContact CB-CD1 4.28Å
38	H	80.4	Confident	81.1	Confident	99 Å²	99	55.1 Å²	55.1	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-47.4	173	-83.7	-66.4	0	0	0	112.1	F26 E34 I35 K36 A40 S41 E42	F26-H38 HydrophobicContact CE1-CB 4.13Å; E34-H38 PolarHBondContact O-CD2 3.48Å; E34-H38 VanDerWaalsContact O-CD2 3.25Å; E34-H38 PolarHBondContact O-N 3.33Å; I35-H38 PolarHBondContact O-N 3.23Å; K36-H38 VanDerWaalsContact C-N 3.32Å; K36-H38 PolarHBondContact O-N 3.14Å; H38-A40 PolarHBondContact O-N 2.76Å; H38-S41 PolarHBondContact O-N 3.2Å; H38-S41 PolarHBondContact O-OG 3.19Å; H38-E42 PolarHBondContact O-N 2.91Å; H38-E42 VanDerWaalsContact O-N 3.14Å
39	L	82.7	Confident	81.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-38.6	179.2	-62.7	171.3	0	0	0	112.4	V13 M22 M24 F26 I35 K36 S41 E42 L43 L52 M80	V13-L39 HydrophobicContact CG2-CD1 4.31Å; V13-L39 HydrophobicContact CG2-CD2 4.42Å; M22-L39 HydrophobicContact CE-CD2 3.09Å; M22-L39 HydrophobicContact CE-CG 4.45Å; M24-L39 HydrophobicContact SD-CD2 3.99Å; F26-L39 HydrophobicContact CZ-CD2 4.28Å; I35-L39 HydrophobicContact CG2-CD1 3.86Å; I35-L39 HydrophobicContact CG2-CG 4.33Å; I35-L39 VanDerWaalsContact O-CG 3.26Å; I35-L39 WeakPolarHBondContact O-CG 3.44Å; I35-L39 PolarHBondContact O-N 2.86Å; K36-L39 PolarHBondContact O-N 2.87Å; L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 3.47Å; L39-E42 PolarHBondContact O-N 2.8Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.83Å; L39-L52 HydrophobicContact CD1-CD1 4.23Å; L39-L52 HydrophobicContact CD1-CD2 4.12Å; L39-M80 HydrophobicContact CB-CE 4.36Å; L39-M80 HydrophobicContact CB-SD 4.25Å; L39-M80 HydrophobicContact CD1-CE 4.46Å; L39-M80 HydrophobicContact CD1-SD 3.95Å
40	A	82.1	Confident	81.6	Confident	10 Å²	10	54.3 Å²	54.3	8%	0.083	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-43.5	174	0	0	0	0	0	111.6	K36 H38 E44 V45 L47 L50	K36-A40 WeakPolarHBondContact O-CB 3.27Å; K36-A40 PolarHBondContact O-N 3.19Å; H38-A40 PolarHBondContact O-N 2.76Å; A40-E44 WeakPolarHBondContact O-CA 3.41Å; A40-E44 PolarHBondContact O-N 2.89Å; A40-V45 VanDerWaalsContact CB-O 3.32Å; A40-V45 WeakPolarHBondContact CB-O 3.23Å; A40-V45 PolarHBondContact O-N 2.83Å; A40-V45 VanDerWaalsContact O-N 3.11Å; A40-L47 HydrophobicContact CB-CD1 4.19Å; A40-L50 HydrophobicContact CB-CD1 3.66Å
41	S	78.4	Confident	81.7	Confident	73 Å²	73	55.5 Å²	55.5	51%	0.51	28%	0.279	S	S	.	.	H	α-helix	trans	-67.7	-35	178.7	75.4	0	0	0	0	113.1	H37 H38 L39	H37-S41 PolarHBondContact O-N 3.28Å; H37-S41 VanDerWaalsContact O-N 3.12Å; H38-S41 PolarHBondContact O-N 3.2Å; H38-S41 PolarHBondContact O-OG 3.19Å; L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 3.47Å
42	E	75.4	Confident	81.8	Confident	99 Å²	99	54.5 Å²	54.5	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-75.8	-32.7	178.2	-71.8	-142.1	159.4	0	0	113.2	M24 H38 L39	M24-E42 VanDerWaalsContact CE-CD 3.46Å; M24-E42 HydrophobicContact CE-CG 4.42Å; M24-E42 VanDerWaalsContact CE-OE1 3.23Å; M24-E42 WeakPolarHBondContact CE-OE1 3.42Å; H38-E42 PolarHBondContact O-N 2.91Å; H38-E42 VanDerWaalsContact O-N 3.14Å; L39-E42 PolarHBondContact O-N 2.8Å
43	L	76.1	Confident	81.8	Confident	14 Å²	14	57 Å²	57	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-92	-6.1	-179.9	-63.5	172.7	0	0	0	113.4	L15 L39 V45 M80 L90 L92	L15-L43 HydrophobicContact CD1-CD2 4.43Å; L15-L43 HydrophobicContact CD2-CD1 4.08Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.83Å; L43-V45 VanDerWaalsContact C-N 3.29Å; L43-V45 HydrophobicContact CB-CG2 4.16Å; L43-V45 PolarHBondContact O-N 3.47Å; L43-M80 HydrophobicContact CD1-CE 3.34Å; L43-L90 HydrophobicContact CD1-CD2 4.26Å; L43-L92 HydrophobicContact CD2-CD2 4.43Å
44	E	75.4	Confident	81.7	Confident	155 Å²	155	53.8 Å²	53.8	72%	0.724	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.8	-172.9	-61.6	-174.5	164.4	0	0	113.5	A40 L93	A40-E44 WeakPolarHBondContact O-CA 3.41Å; A40-E44 PolarHBondContact O-N 2.89Å; E44-L93 HydrophobicContact CG-CD1 4.49Å
45	V	80.4	Confident	81.4	Confident	14 Å²	14	56.7 Å²	56.7	9%	0.085	29%	0.286	C	S	.	.			trans	-115.1	142.8	-179.4	178.5	0	0	0	0	110.3	A40 L43 L50 Y88 L90	A40-V45 VanDerWaalsContact CB-O 3.32Å; A40-V45 WeakPolarHBondContact CB-O 3.23Å; A40-V45 PolarHBondContact O-N 2.83Å; A40-V45 VanDerWaalsContact O-N 3.11Å; L43-V45 VanDerWaalsContact C-N 3.29Å; L43-V45 HydrophobicContact CB-CG2 4.16Å; L43-V45 PolarHBondContact O-N 3.47Å; V45-L50 HydrophobicContact CG1-CD2 4.24Å; V45-L50 HydrophobicContact CG1-CG 4.25Å; V45-Y88 HydrophobicContact CG1-CG 4.36Å; V45-L90 HydrophobicContact CG2-CD2 4.23Å
46	P	82.2	Confident	80.9	Confident	46 Å²	46	59.3 Å²	59.3	30%	0.299	31%	0.314	S	S	.	.			trans	-61.7	139.7	176.4	-19.5	31.2	0	0	0	112.5	E48 V49 Y88	P46-E48 PolarHBondContact O-N 2.85Å; P46-V49 HydrophobicContact CB-CG2 4.23Å; P46-V49 PolarHBondContact O-N 2.78Å; P46-Y88 HydrophobicContact CG-CD1 4.43Å; P46-Y88 HydrophobicContact CG-CE1 4.02Å; P46-Y88 HydrophobicContact CG-CE2 4.47Å
47	L	80.7	Confident	80.5	Confident	50 Å²	50	68.5 Å²	68.5	26%	0.262	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-56.2	-38	-177.4	-172.3	66.2	0	0	0	113.1	K36 H37 A40 V49 L50	K36-L47 HydrophobicContact CB-CD1 3.41Å; K36-L47 VanDerWaalsContact CB-CD1 3.41Å; H37-L47 HydrophobicContact CB-CD1 4.28Å; A40-L47 HydrophobicContact CB-CD1 4.19Å; L47-V49 PolarHBondContact O-N 2.74Å; L47-L50 PolarHBondContact O-N 2.87Å
48	E	80.4	Confident	80.4	Confident	180 Å²	180	67.3 Å²	67.3	84%	0.841	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.9	-23.4	-174.9	-65	149.2	-169.1	0	0	113.3	P46	P46-E48 PolarHBondContact O-N 2.85Å
49	V	82.6	Confident	80.6	Confident	18 Å²	18	63.1 Å²	63.1	11%	0.109	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-93	-12.6	-175.8	-163.1	0	0	0	0	111.2	P46 L47 S82 S83 D84 Y88	P46-V49 HydrophobicContact CB-CG2 4.23Å; P46-V49 PolarHBondContact O-N 2.78Å; L47-V49 PolarHBondContact O-N 2.74Å; V49-S82 VanDerWaalsContact CG1-OG 3.23Å; V49-S82 WeakPolarHBondContact CG1-OG 3.32Å; V49-S82 CarbonylContact O-C 3.58Å; V49-S82 WeakPolarHBondContact O-CA 3Å; V49-S83 WeakPolarHBondContact CA-OG 3.36Å; V49-S83 VanDerWaalsContact CG1-OG 3.28Å; V49-S83 WeakPolarHBondContact CG1-OG 3.39Å; V49-S83 PolarHBondContact O-N 3.44Å; V49-S83 PolarHBondContact O-OG 3.44Å; V49-D84 HydrophobicContact CG1-CB 4.05Å; V49-Y88 HydrophobicContact CG1-CD2 4.41Å; V49-Y88 HydrophobicContact CG2-CD2 4.22Å
50	L	83.4	Confident	80.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.2	-173.7	-68.2	170.6	0	0	0	113.1	K36 A40 V45 L47 M80 L90	K36-L50 WeakPolarHBondContact CE-O 3.5Å; K36-L50 PolarHBondContact NZ-O 2.81Å; A40-L50 HydrophobicContact CB-CD1 3.66Å; V45-L50 HydrophobicContact CG1-CD2 4.24Å; V45-L50 HydrophobicContact CG1-CG 4.25Å; L47-L50 PolarHBondContact O-N 2.87Å; L50-M80 HydrophobicContact CD2-CG 4.27Å; L50-M80 HydrophobicContact CD2-SD 3.94Å; L50-L90 HydrophobicContact CD2-CD1 4.4Å; L50-L90 HydrophobicContact CD2-CD2 3.48Å; L50-L90 VanDerWaalsContact CD2-CD2 3.48Å
51	Q	84.9	Confident	80.4	Confident	72 Å²	72	73.1 Å²	73.1	34%	0.336	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.3	174.6	-64.5	-175.5	-9	0	0	110.6	Y53 M80 S81	Q51-Y53 HydrophobicContact CB-CE2 3.78Å; Q51-Y53 PolarHBondContact OE1-OH 2.79Å; Q51-M80 WeakPolarHBondContact O-CA 3.39Å; Q51-S81 PolarHBondContact N-O 2.97Å; Q51-S81 PolarHBondContact O-N 3.35Å
52	L	86.3	Confident	80.5	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.4	177.9	-74	173.5	0	0	0	110.1	V13 I32 I35 K36 L39 V59 E79 M80	V13-L52 HydrophobicContact CG1-CD2 4.36Å; I32-L52 HydrophobicContact CG2-CD1 3.79Å; I35-L52 HydrophobicContact CG2-CD1 4.47Å; K36-L52 HydrophobicContact CG-CD1 3.48Å; K36-L52 VanDerWaalsContact CG-CD1 3.48Å; K36-L52 HydrophobicContact CG-CG 4.05Å; L39-L52 HydrophobicContact CD1-CD1 4.23Å; L39-L52 HydrophobicContact CD1-CD2 4.12Å; L52-V59 PolarHBondContact O-N 3.02Å; L52-E79 CarbonylContact C-O 3.49Å; L52-E79 WeakPolarHBondContact CA-O 3.22Å; L52-M80 HydrophobicContact CD2-CB 3.68Å; L52-M80 HydrophobicContact CD2-CG 3.76Å; L52-M80 HydrophobicContact CD2-SD 3.79Å
53	Y	84.6	Confident	80.8	Confident	52 Å²	52	76.5 Å²	76.5	20%	0.204	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.6	-179.7	-58.2	-102.9	0	0	0	110.1	Q51 R57 V58 M78 E79 S81	Q51-Y53 HydrophobicContact CB-CE2 3.78Å; Q51-Y53 PolarHBondContact OE1-OH 2.79Å; Y53-R57 CarbonylContact C-O 3.54Å; Y53-R57 VanDerWaalsContact CA-O 3.23Å; Y53-R57 WeakPolarHBondContact CA-O 3.34Å; Y53-V58 HydrophobicContact CD1-CB 4.5Å; Y53-V58 HydrophobicContact CD1-CG2 3.78Å; Y53-V58 HydrophobicContact CE1-CB 4.37Å; Y53-V58 HydrophobicContact CE1-CG2 3.25Å; Y53-M78 CarbonylContact O-C 3.54Å; Y53-M78 WeakPolarHBondContact O-CA 3.31Å; Y53-E79 PolarHBondContact N-O 3.06Å; Y53-E79 PolarHBondContact O-N 2.77Å; Y53-S81 VanDerWaalsContact CE2-OG 3.23Å; Y53-S81 WeakPolarHBondContact CE2-OG 3.42Å
54	L	83.1	Confident	81.2	Confident	23 Å²	23	76.6 Å²	76.6	12%	0.12	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.6	170.2	-175.4	71	0	0	0	108	G56 R57 V59 L68 T76 Q77 M78	L54-G56 PolarHBondContact O-N 3.02Å; L54-R57 PolarHBondContact N-O 3.18Å; L54-R57 PolarHBondContact O-N 2.97Å; L54-R57 VanDerWaalsContact O-N 3.09Å; L54-V59 HydrophobicContact CB-CG2 3.74Å; L54-L68 HydrophobicContact CD2-CB 4.01Å; L54-L68 HydrophobicContact CD2-CD1 4.1Å; L54-L68 HydrophobicContact CD2-CG 4.47Å; L54-T76 HydrophobicContact CD1-CG2 3.56Å; L54-Q77 WeakPolarHBondContact CD1-O 3.26Å; L54-M78 HydrophobicContact CB-CE 4.23Å; L54-M78 HydrophobicContact CB-CG 4.45Å; L54-M78 HydrophobicContact CD1-CE 3.95Å; L54-M78 HydrophobicContact CD1-CG 3.62Å; L54-M78 HydrophobicContact CD2-CE 4.16Å; L54-M78 HydrophobicContact CG-CE 4.34Å
55	N	77.6	Confident	81.4	Confident	154 Å²	154	69.2 Å²	69.2	82%	0.824	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	39.3	-176.9	-57.9	-28.6	0	0	0	113.4	R57	N55-R57 PolarHBondContact O-N 2.97Å
56	G	72.3	Confident	81.4	Confident	58 Å²	58	73 Å²	73	60%	0.598	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	5	178.5	0	0	0	0	0	116.3	L54	L54-G56 PolarHBondContact O-N 3.02Å
57	R	78.6	Confident	81.3	Confident	203 Å²	203	77.3 Å²	77.3	77%	0.766	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.9	173.5	-64.9	-171.9	-178.1	-146.4	0.4	111.5	Y53 L54 N55 V59	Y53-R57 CarbonylContact C-O 3.54Å; Y53-R57 VanDerWaalsContact CA-O 3.23Å; Y53-R57 WeakPolarHBondContact CA-O 3.34Å; L54-R57 PolarHBondContact N-O 3.18Å; L54-R57 PolarHBondContact O-N 2.97Å; L54-R57 VanDerWaalsContact O-N 3.09Å; N55-R57 PolarHBondContact O-N 2.97Å; R57-V59 PolarHBondContact O-N 3.09Å
58	V	81.3	Confident	81.2	Confident	91 Å²	91	76.9 Å²	76.9	55%	0.552	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.2	172.4	-178.5	0	0	0	0	108.6	Y53	Y53-V58 HydrophobicContact CD1-CB 4.5Å; Y53-V58 HydrophobicContact CD1-CG2 3.78Å; Y53-V58 HydrophobicContact CE1-CB 4.37Å; Y53-V58 HydrophobicContact CE1-CG2 3.25Å
59	V	84.8	Confident	80.9	Confident	10 Å²	10	71.1 Å²	71.1	6%	0.061	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-92.1	133.6	-177.5	-151.5	0	0	0	0	110.7	I32 L52 L54 R57 L68	I32-V59 HydrophobicContact CD1-CB 3.89Å; I32-V59 HydrophobicContact CD1-CG1 3.16Å; I32-V59 HydrophobicContact CG1-CG1 4.16Å; L52-V59 PolarHBondContact O-N 3.02Å; L54-V59 HydrophobicContact CB-CG2 3.74Å; R57-V59 PolarHBondContact O-N 3.09Å; V59-L68 HydrophobicContact CG1-CD1 3.63Å; V59-L68 HydrophobicContact CG1-CD2 3.44Å; V59-L68 VanDerWaalsContact CG1-CD2 3.44Å; V59-L68 HydrophobicContact CG1-CG 4.13Å
60	E	80.4	Confident	80.7	Confident	132 Å²	132	70.9 Å²	70.9	62%	0.617	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-72.8	135.1	-179.8	-69.7	-176.3	165.1	0	0	112	I32 K62 Q63	I32-E60 WeakPolarHBondContact CD1-O 3.48Å; E60-K62 VanDerWaalsContact C-N 3.26Å; E60-K62 PolarHBondContact O-N 3.44Å; E60-K62 VanDerWaalsContact O-N 3.12Å; E60-Q63 HydrophobicContact CB-CG 4.09Å; E60-Q63 PolarHBondContact O-N 3.42Å; E60-Q63 VanDerWaalsContact O-N 3.14Å; E60-Q63 PolarHBondContact OE2-NE2 2.95Å
61	E	80.1	Confident	80.4	Confident	89 Å²	89	80 Å²	80	42%	0.416	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.3	-166.9	-61.2	-175.7	154.1	0	0	114.5	I32 E33 K36	I32-E61 PolarHBondContact N-O 2.87Å; E33-E61 HydrophobicContact CB-CB 4.11Å; E33-E61 PolarHBondContact N-O 3.35Å; K36-E61 IonicContact NZ-OE1 3.1Å; K36-E61 PolarHBondContact NZ-OE1 3.45Å
62	K	79.8	Confident	79.9	Confident	183 Å²	183	79.4 Å²	79.4	80%	0.796	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.7	-177.7	-64.1	-175.8	-179.7	178.9	0	114.4	E60	E60-K62 VanDerWaalsContact C-N 3.26Å; E60-K62 PolarHBondContact O-N 3.44Å; E60-K62 VanDerWaalsContact O-N 3.12Å
63	Q	82.8	Confident	79.4	Confident	59 Å²	59	86.1 Å²	86.1	28%	0.276	43%	0.434	S	S	.	.			trans	-77.6	146.9	-179.5	-64.5	179.5	7.3	0	0	110.4	S31 I32 E60 E67 L68	S31-Q63 WeakPolarHBondContact CA-O 3.47Å; I32-Q63 HydrophobicContact CD1-CB 3.8Å; I32-Q63 WeakPolarHBondContact CD1-O 3.23Å; I32-Q63 WeakPolarHBondContact CG1-O 3.3Å; I32-Q63 PolarHBondContact N-O 3.45Å; E60-Q63 HydrophobicContact CB-CG 4.09Å; E60-Q63 PolarHBondContact O-N 3.42Å; E60-Q63 VanDerWaalsContact O-N 3.14Å; E60-Q63 PolarHBondContact OE2-NE2 2.95Å; Q63-E67 WeakPolarHBondContact CA-OE2 3.47Å; Q63-L68 VanDerWaalsContact OE1-CD2 3.27Å
64	S	84.3	Confident	79	Confident	16 Å²	16	85.4 Å²	85.4	11%	0.112	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-92.1	158.2	172.9	62.3	0	0	0	0	112	L30 M66 E67 L68	L30-S64 VanDerWaalsContact O-CA 3.32Å; L30-S64 WeakPolarHBondContact O-CA 3.22Å; S64-M66 PolarHBondContact O-N 3.36Å; S64-M66 VanDerWaalsContact O-N 3.15Å; S64-E67 PolarHBondContact N-OE2 3.46Å; S64-E67 PolarHBondContact O-N 3.23Å; S64-E67 VanDerWaalsContact OG-CD 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.36Å; S64-E67 PolarHBondContact OG-OE2 2.88Å; S64-L68 PolarHBondContact O-N 2.98Å
65	L	79.5	Confident	78.8	Confident	0 Å²	0	88 Å²	88	0%	0	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.1	174.9	-65.3	176.2	0	0	0	112.2	V11 F26 I28 L30 I35 L68 I70 M78	V11-L65 HydrophobicContact CG2-CD1 4.04Å; F26-L65 HydrophobicContact CB-CD1 3.95Å; I28-L65 HydrophobicContact CG2-CB 4.19Å; I28-L65 PolarHBondContact O-N 3.22Å; L30-L65 PolarHBondContact O-N 3.02Å; I35-L65 HydrophobicContact CD1-CD1 3.58Å; I35-L65 HydrophobicContact CD1-CD2 3.74Å; I35-L65 HydrophobicContact CD1-CG 3.58Å; L65-L68 HydrophobicContact CD2-CD1 4.25Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-I70 HydrophobicContact CB-CD1 4.07Å; L65-I70 HydrophobicContact CD2-CD1 3.74Å; L65-I70 HydrophobicContact CG-CD1 4.44Å; L65-I70 VanDerWaalsContact O-CB 3.31Å; L65-I70 WeakPolarHBondContact O-CB 3.14Å; L65-I70 PolarHBondContact O-N 3.47Å; L65-M78 HydrophobicContact CD2-CE 3.7Å; L65-M78 HydrophobicContact CD2-SD 4.38Å
66	M	80.7	Confident	79	Confident	94 Å²	94	82.1 Å²	82.1	46%	0.463	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-44	174.7	-157.9	171.8	175.6	0	0	112.3	V4 I28 S64 L68 G69	V4-M66 HydrophobicContact CG1-CE 4.08Å; I28-M66 HydrophobicContact CG2-CB 3.7Å; I28-M66 HydrophobicContact CG2-CG 4.16Å; I28-M66 PolarHBondContact O-N 3.29Å; I28-M66 VanDerWaalsContact O-N 3.11Å; S64-M66 PolarHBondContact O-N 3.36Å; S64-M66 VanDerWaalsContact O-N 3.15Å; M66-L68 VanDerWaalsContact C-N 3.26Å; M66-L68 PolarHBondContact O-N 3.25Å; M66-G69 PolarHBondContact O-N 3.33Å
67	E	80	Confident	79.5	Confident	136 Å²	136	84.7 Å²	84.7	64%	0.636	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.2	-177.9	-71.6	162.6	172.4	0	0	111.8	Q63 S64 G69	Q63-E67 WeakPolarHBondContact CA-OE2 3.47Å; S64-E67 PolarHBondContact N-OE2 3.46Å; S64-E67 PolarHBondContact O-N 3.23Å; S64-E67 VanDerWaalsContact OG-CD 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.36Å; S64-E67 PolarHBondContact OG-OE2 2.88Å; E67-G69 PolarHBondContact O-N 3.45Å
68	L	77.1	Confident	79.8	Confident	41 Å²	41	75.2 Å²	75.2	22%	0.215	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	0.6	169.5	-59.1	175.4	0	0	0	113.8	I32 L54 V59 Q63 S64 L65 M66 I70 M78	I32-L68 HydrophobicContact CD1-CD1 4.01Å; I32-L68 HydrophobicContact CG1-CD1 4.33Å; L54-L68 HydrophobicContact CD2-CB 4.01Å; L54-L68 HydrophobicContact CD2-CD1 4.1Å; L54-L68 HydrophobicContact CD2-CG 4.47Å; V59-L68 HydrophobicContact CG1-CD1 3.63Å; V59-L68 HydrophobicContact CG1-CD2 3.44Å; V59-L68 VanDerWaalsContact CG1-CD2 3.44Å; V59-L68 HydrophobicContact CG1-CG 4.13Å; Q63-L68 VanDerWaalsContact OE1-CD2 3.27Å; S64-L68 PolarHBondContact O-N 2.98Å; L65-L68 HydrophobicContact CD2-CD1 4.25Å; L65-L68 PolarHBondContact O-N 3.45Å; M66-L68 VanDerWaalsContact C-N 3.26Å; M66-L68 PolarHBondContact O-N 3.25Å; L68-I70 HydrophobicContact CB-CD1 4.45Å; L68-M78 HydrophobicContact CD1-CE 3.61Å
69	G	75.3	Confident	80.1	Confident	60 Å²	60	75 Å²	75	62%	0.619	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	13.3	177.2	0	0	0	0	0	115	M66 E67	M66-G69 PolarHBondContact O-N 3.33Å; E67-G69 PolarHBondContact O-N 3.45Å
70	I	78.2	Confident	80.1	Confident	12 Å²	12	74.5 Å²	74.5	6%	0.062	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-79.1	126.5	-179.7	-58.2	168.5	0	0	0	109.8	A9 L65 L68 T76 M78	A9-I70 HydrophobicContact CB-CG2 3.78Å; L65-I70 HydrophobicContact CB-CD1 4.07Å; L65-I70 HydrophobicContact CD2-CD1 3.74Å; L65-I70 HydrophobicContact CG-CD1 4.44Å; L65-I70 VanDerWaalsContact O-CB 3.31Å; L65-I70 WeakPolarHBondContact O-CB 3.14Å; L65-I70 PolarHBondContact O-N 3.47Å; L68-I70 HydrophobicContact CB-CD1 4.45Å; I70-T76 HydrophobicContact CD1-CG2 3.8Å; I70-T76 HydrophobicContact CG1-CG2 4.09Å; I70-T76 WeakPolarHBondContact CG2-OG1 3.37Å; I70-M78 HydrophobicContact CD1-CE 4.24Å
71	R	75.9	Confident	80.3	Confident	193 Å²	193	69.4 Å²	69.4	73%	0.728	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-85.1	153.8	-176.7	-68.6	-174.6	-178.6	-179.7	1.2	112.6	H73 S74	R71-H73 PolarHBondContact O-N 3.16Å; R71-S74 PolarHBondContact N-OG 3.4Å; R71-S74 WeakPolarHBondContact O-CB 3.33Å; R71-S74 PolarHBondContact O-N 2.99Å; R71-S74 PolarHBondContact O-OG 2.93Å
72	P	75.9	Confident	80.4	Confident	59 Å²	59	65.8 Å²	65.8	38%	0.383	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	131.1	170	-26.5	37.1	0	0	0	114	V4 I28 S74	V4-P72 HydrophobicContact CG1-CG 3.93Å; I28-P72 HydrophobicContact CD1-CB 3.99Å; I28-P72 HydrophobicContact CD1-CG 4.06Å; P72-S74 PolarHBondContact O-N 3.19Å
73	H	74.6	Confident	80.5	Confident	143 Å²	143	60.5 Å²	60.5	66%	0.662	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.4	178.7	-48.1	-57.9	0	0	0	115	T8 R71	T8-H73 VanDerWaalsContact O-CA 3.3Å; T8-H73 WeakPolarHBondContact O-CA 3.18Å; T8-H73 PolarHBondContact O-N 3.5Å; T8-H73 PolarHBondContact O-ND1 3.48Å; R71-H73 PolarHBondContact O-N 3.16Å
74	S	77.6	Confident	80.3	Confident	37 Å²	37	60.6 Å²	60.6	26%	0.259	33%	0.329	S	S	.	.			trans	-92.6	158.6	172.5	71.1	0	0	0	0	111.6	A9 T10 R71 P72	A9-S74 WeakPolarHBondContact CA-O 3.34Å; A9-S74 WeakPolarHBondContact CB-O 3.23Å; T10-S74 PolarHBondContact N-O 3.39Å; T10-S74 PolarHBondContact OG1-O 2.79Å; R71-S74 PolarHBondContact N-OG 3.4Å; R71-S74 WeakPolarHBondContact O-CB 3.33Å; R71-S74 PolarHBondContact O-N 2.99Å; R71-S74 PolarHBondContact O-OG 2.93Å; P72-S74 PolarHBondContact O-N 3.19Å
75	S	79	Confident	79.8	Confident	79 Å²	79	63.1 Å²	63.1	55%	0.552	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	127	173.1	64	0	0	0	0	110.7	T10	T10-S75 CarbonylContact O-C 3.58Å; T10-S75 WeakPolarHBondContact O-CA 3.28Å; T10-S75 VanDerWaalsContact OG1-CA 3.3Å; T10-S75 WeakPolarHBondContact OG1-CA 3.39Å; T10-S75 VanDerWaalsContact OG1-CB 3.25Å; T10-S75 WeakPolarHBondContact OG1-CB 3.49Å
76	T	81	Confident	79.5	Confident	29 Å²	29	69.3 Å²	69.3	18%	0.178	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.8	176.9	-59.1	0	0	0	0	110.8	T10 V11 K12 L54 I70	T10-T76 PolarHBondContact O-N 2.91Å; V11-T76 CarbonylContact C-O 3.55Å; V11-T76 WeakPolarHBondContact CA-O 3.23Å; K12-T76 PolarHBondContact N-O 3.35Å; L54-T76 HydrophobicContact CD1-CG2 3.56Å; I70-T76 HydrophobicContact CD1-CG2 3.8Å; I70-T76 HydrophobicContact CG1-CG2 4.09Å; I70-T76 WeakPolarHBondContact CG2-OG1 3.37Å
77	Q	82.1	Confident	79.2	Confident	113 Å²	113	67.6 Å²	67.6	53%	0.528	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.6	176.1	-172.7	173.8	-6.7	0	0	110.5	K12 L54	K12-Q77 CarbonylContact O-C 3.58Å; K12-Q77 VanDerWaalsContact O-CA 3.28Å; K12-Q77 WeakPolarHBondContact O-CA 3.22Å; L54-Q77 WeakPolarHBondContact CD1-O 3.26Å
78	M	86.4	Confident	78.9	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.02	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.6	175.7	-75.5	-179.6	159.9	0	0	109.5	V11 K12 V13 L14 Y53 L54 L65 L68 I70	V11-M78 HydrophobicContact CG1-CB 4.22Å; V11-M78 HydrophobicContact CG1-CG 4.09Å; V11-M78 HydrophobicContact CG1-SD 3.83Å; K12-M78 PolarHBondContact O-N 3.18Å; V13-M78 CarbonylContact C-O 3.38Å; V13-M78 VanDerWaalsContact CA-O 3.27Å; V13-M78 WeakPolarHBondContact CA-O 3.4Å; L14-M78 PolarHBondContact N-O 2.96Å; Y53-M78 CarbonylContact O-C 3.54Å; Y53-M78 WeakPolarHBondContact O-CA 3.31Å; L54-M78 HydrophobicContact CB-CE 4.23Å; L54-M78 HydrophobicContact CB-CG 4.45Å; L54-M78 HydrophobicContact CD1-CE 3.95Å; L54-M78 HydrophobicContact CD1-CG 3.62Å; L54-M78 HydrophobicContact CD2-CE 4.16Å; L54-M78 HydrophobicContact CG-CE 4.34Å; L65-M78 HydrophobicContact CD2-CE 3.7Å; L65-M78 HydrophobicContact CD2-SD 4.38Å; L68-M78 HydrophobicContact CD1-CE 3.61Å; I70-M78 HydrophobicContact CD1-CE 4.24Å
79	E	86.3	Confident	78.8	Confident	85 Å²	85	67 Å²	67	40%	0.397	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.5	174.7	-58.6	177.6	169.8	0	0	109.3	L14 L52 Y53	L14-E79 HydrophobicContact CB-CG 4.38Å; L14-E79 HydrophobicContact CD2-CG 4.27Å; L14-E79 CarbonylContact O-C 3.56Å; L14-E79 WeakPolarHBondContact O-CA 3.42Å; L52-E79 CarbonylContact C-O 3.49Å; L52-E79 WeakPolarHBondContact CA-O 3.22Å; Y53-E79 PolarHBondContact N-O 3.06Å; Y53-E79 PolarHBondContact O-N 2.77Å
80	M	85.6	Confident	78.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.9	177.9	-172	163.2	61.3	0	0	110.2	V13 L14 L15 V16 L39 L43 L50 Q51 L52 L90	V13-M80 HydrophobicContact CG1-CB 3.61Å; V13-M80 HydrophobicContact CG1-CE 4.08Å; V13-M80 HydrophobicContact CG1-SD 4.46Å; L14-M80 PolarHBondContact O-N 3.4Å; L15-M80 HydrophobicContact CD2-CB 4.31Å; L15-M80 HydrophobicContact CD2-CE 3.14Å; V16-M80 PolarHBondContact N-O 3.34Å; L39-M80 HydrophobicContact CB-CE 4.36Å; L39-M80 HydrophobicContact CB-SD 4.25Å; L39-M80 HydrophobicContact CD1-CE 4.46Å; L39-M80 HydrophobicContact CD1-SD 3.95Å; L43-M80 HydrophobicContact CD1-CE 3.34Å; L50-M80 HydrophobicContact CD2-CG 4.27Å; L50-M80 HydrophobicContact CD2-SD 3.94Å; Q51-M80 WeakPolarHBondContact O-CA 3.39Å; L52-M80 HydrophobicContact CD2-CB 3.68Å; L52-M80 HydrophobicContact CD2-CG 3.76Å; L52-M80 HydrophobicContact CD2-SD 3.79Å; M80-L90 HydrophobicContact CG-CD1 4.23Å
81	S	84	Confident	78	Confident	26 Å²	26	73.6 Å²	73.6	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.2	173.3	67.5	0	0	0	0	111.5	Q51 Y53	Q51-S81 PolarHBondContact N-O 2.97Å; Q51-S81 PolarHBondContact O-N 3.35Å; Y53-S81 VanDerWaalsContact CE2-OG 3.23Å; Y53-S81 WeakPolarHBondContact CE2-OG 3.42Å
82	S	83.3	Confident	77.3	Confident	13 Å²	13	66.8 Å²	66.8	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.9	171.4	179.3	0	0	0	0	109.1	V49 D84 Y88	V49-S82 VanDerWaalsContact CG1-OG 3.23Å; V49-S82 WeakPolarHBondContact CG1-OG 3.32Å; V49-S82 CarbonylContact O-C 3.58Å; V49-S82 WeakPolarHBondContact O-CA 3Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact OG-N 3.23Å; S82-D84 PolarHBondContact OG-O 3.03Å; S82-D84 VanDerWaalsContact OG-O 3.14Å; S82-Y88 PolarHBondContact OG-O 3.42Å
83	S	81.7	Confident	76.4	Confident	71 Å²	71	69.7 Å²	69.7	50%	0.497	38%	0.375	S	S	.	.	S	Bend	trans	-70.4	-25.2	174.5	58.9	0	0	0	0	112.6	V49	V49-S83 WeakPolarHBondContact CA-OG 3.36Å; V49-S83 VanDerWaalsContact CG1-OG 3.28Å; V49-S83 WeakPolarHBondContact CG1-OG 3.39Å; V49-S83 PolarHBondContact O-N 3.44Å; V49-S83 PolarHBondContact O-OG 3.44Å
84	D	78.3	Confident	75.2	Confident	61 Å²	61	72.2 Å²	72.2	33%	0.326	38%	0.378	S	S	.	.			trans	-124.2	84.2	168.8	-173.4	-2.4	0	0	0	110.9	V49 S82 T86 S87 Y88	V49-D84 HydrophobicContact CG1-CB 4.05Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact OG-N 3.23Å; S82-D84 PolarHBondContact OG-O 3.03Å; S82-D84 VanDerWaalsContact OG-O 3.14Å; D84-T86 PolarHBondContact O-N 3.14Å; D84-T86 PolarHBondContact OD1-N 3.15Å; D84-T86 PolarHBondContact OD1-OG1 3.31Å; D84-S87 PolarHBondContact OD1-N 3.11Å; D84-S87 PolarHBondContact OD1-OG 3.44Å; D84-S87 WeakPolarHBondContact OD2-CB 3.44Å; D84-S87 PolarHBondContact OD2-OG 3.03Å; D84-Y88 PolarHBondContact O-N 2.72Å; D84-Y88 VanDerWaalsContact O-N 3.16Å
85	P	73.6	Confident	73.7	Confident	69 Å²	69	75.2 Å²	75.2	45%	0.448	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.1	-178.5	27.9	-32.5	0	0	0	113.6
86	T	72.1	Confident	72.2	Confident	130 Å²	130	76 Å²	76	80%	0.798	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-41.5	-180	49.2	0	0	0	0	112.8	D84	D84-T86 PolarHBondContact O-N 3.14Å; D84-T86 PolarHBondContact OD1-N 3.15Å; D84-T86 PolarHBondContact OD1-OG1 3.31Å
87	S	74.6	Confident	70.6	Confident	58 Å²	58	82.6 Å²	82.6	41%	0.406	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-35.3	177.2	61.6	0	0	0	0	112.2	D84	D84-S87 PolarHBondContact OD1-N 3.11Å; D84-S87 PolarHBondContact OD1-OG 3.44Å; D84-S87 WeakPolarHBondContact OD2-CB 3.44Å; D84-S87 PolarHBondContact OD2-OG 3.03Å
88	Y	75.3	Confident	68.7	Low	101 Å²	101	86 Å²	86	40%	0.396	44%	0.444	S	S	.	.	S	Bend	trans	-127.2	78.8	-178.6	-57	-75.7	0	0	0	111.8	V45 P46 V49 S82 D84 L90	V45-Y88 HydrophobicContact CG1-CG 4.36Å; P46-Y88 HydrophobicContact CG-CD1 4.43Å; P46-Y88 HydrophobicContact CG-CE1 4.02Å; P46-Y88 HydrophobicContact CG-CE2 4.47Å; V49-Y88 HydrophobicContact CG1-CD2 4.41Å; V49-Y88 HydrophobicContact CG2-CD2 4.22Å; S82-Y88 PolarHBondContact OG-O 3.42Å; D84-Y88 PolarHBondContact O-N 2.72Å; D84-Y88 VanDerWaalsContact O-N 3.16Å; Y88-L90 PolarHBondContact O-N 3.33Å
89	P	74.3	Confident	66.8	Low	63 Å²	63	91.5 Å²	91.5	41%	0.409	47%	0.474	S	S	.	.			trans	-72.5	127.9	176.2	29.3	-33.7	0	0	0	110.9	R91	P89-R91 HydrophobicContact CB-CG 4.46Å; P89-R91 PolarHBondContact O-N 3.18Å
90	L	72.8	Confident	65.2	Low	21 Å²	21	94.8 Å²	94.8	11%	0.11	49%	0.494	C	S	.	.			trans	-70	98.5	175.6	-56.3	179.9	0	0	0	110	L15 L43 V45 L50 M80 Y88	L15-L90 HydrophobicContact CD2-CD1 4.43Å; L43-L90 HydrophobicContact CD1-CD2 4.26Å; V45-L90 HydrophobicContact CG2-CD2 4.23Å; L50-L90 HydrophobicContact CD2-CD1 4.4Å; L50-L90 HydrophobicContact CD2-CD2 3.48Å; L50-L90 VanDerWaalsContact CD2-CD2 3.48Å; M80-L90 HydrophobicContact CG-CD1 4.23Å; Y88-L90 PolarHBondContact O-N 3.33Å
91	R	64.3	Low	63.6	Low	191 Å²	191	100.8 Å²	100.8	72%	0.721	52%	0.524	S	S	*	.			trans	-123.5	131.8	176.6	-66.8	-175.6	177.3	175.1	0.9	110	P89 L93	P89-R91 HydrophobicContact CB-CG 4.46Å; P89-R91 PolarHBondContact O-N 3.18Å; R91-L93 PolarHBondContact O-N 3.16Å
92	L	61	Low	62.4	Low	49 Å²	49	103.1 Å²	103.1	26%	0.257	54%	0.538	S	S	.	.			trans	-69.2	127.3	168.4	-77.9	155.2	0	0	0	108.7	L15 H20 M22 L43 R94	L15-L92 HydrophobicContact CD1-CD1 4.09Å; L15-L92 HydrophobicContact CD1-CG 3.89Å; H20-L92 HydrophobicContact CB-CD1 3.72Å; M22-L92 HydrophobicContact CG-CD2 4.44Å; M22-L92 HydrophobicContact SD-CD2 3.86Å; L43-L92 HydrophobicContact CD2-CD2 4.43Å; L92-R94 PolarHBondContact O-N 3.3Å
93	L	56.3	Low	61.2	Low	121 Å²	121	106.4 Å²	106.4	63%	0.634	56%	0.555	S	S	*	*	S	Bend	trans	-62.5	-10.8	-177.4	-73.4	165.6	0	0	0	113.4	E44 R91	E44-L93 HydrophobicContact CG-CD1 4.49Å; R91-L93 PolarHBondContact O-N 3.16Å
94	R	50.1	Low	60.1	Low	195 Å²	195	106.2 Å²	106.2	74%	0.736	55%	0.55	S	S	*	*	S	Bend	trans	-149.4	125.5	170.2	-58.3	-178.6	-164	162.5	7.9	110.8	L92	L92-R94 PolarHBondContact O-N 3.3Å
95	P	44.9	Very low	59.7	Low	100 Å²	100	106.9 Å²	106.9	65%	0.649	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-69.9	140	169.1	28.1	-31.5	0	0	0	109.9	E97	P95-E97 PolarHBondContact O-N 3.14Å
96	P	49.3	Very low	59.4	Low	95 Å²	95	108 Å²	108	62%	0.617	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-68.6	120.4	171.8	25.8	-29.7	0	0	0	109.4	H98	P96-H98 PolarHBondContact O-N 3.19Å
97	E	45.8	Very low	59.3	Low	169 Å²	169	104.5 Å²	104.5	79%	0.79	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-56	133.7	165	-68.6	177.1	167.3	0	0	108.3	P95 D99	P95-E97 PolarHBondContact O-N 3.14Å; E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 3.44Å
98	H	43.8	Very low	59	Low	184 Å²	184	110.2 Å²	110.2	85%	0.852	55%	0.55	S	S	*	*			trans	-66.2	86.6	-179.1	-88	60.6	0	0	0	110.4	P96	P96-H98 PolarHBondContact O-N 3.19Å
99	D	46.5	Very low	58.8	Low	120 Å²	120	108.8 Å²	108.8	64%	0.642	55%	0.552	S	S	*	*			trans	-110.3	117.1	165.2	-87.4	-26.5	0	0	0	109	E97 M101	E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 3.44Å; D99-M101 PolarHBondContact O-N 3.05Å
100	N	51.3	Low	58.3	Low	153 Å²	153	111.4 Å²	111.4	82%	0.818	56%	0.559	S	S	*	*			trans	-70.8	38	-173	-84.4	-14.3	0	0	0	114.2
101	M	52.9	Low	57.9	Low	126 Å²	126	117.1 Å²	117.1	62%	0.621	58%	0.583	S	S	*	*			trans	-105.5	123.8	-179.8	-148.4	74.9	-30.5	0	0	112.8	D99 R125	D99-M101 PolarHBondContact O-N 3.05Å; M101-R125 PolarHBondContact O-NH2 3.47Å
102	P	57.8	Low	57.4	Low	76 Å²	76	116 Å²	116	49%	0.494	59%	0.591	S	S	.	*			trans	-69.7	141	-175.2	27.3	-33.8	0	0	0	111.4	V104	P102-V104 PolarHBondContact O-N 2.84Å; P102-V104 VanDerWaalsContact O-N 3.14Å
103	D	58.3	Low	57.3	Low	81 Å²	81	122.8 Å²	122.8	43%	0.433	62%	0.621	S	S	.	*	S	Bend	trans	-67.2	-11.2	-179.9	-65.2	-41.5	0	0	0	113.9	I123 R125	D103-I123 PolarHBondContact O-N 3.2Å; D103-R125 IonicContact OD1-CZ 3.6Å; D103-R125 VanDerWaalsContact OD1-CZ 3.23Å; D103-R125 IonicContact OD1-NE 2.67Å; D103-R125 PolarHBondContact OD1-NE 2.76Å; D103-R125 VanDerWaalsContact OD1-NE 3.1Å; D103-R125 IonicContact OD1-NH2 3.23Å; D103-R125 PolarHBondContact OD1-NH2 2.79Å
104	V	58.1	Low	57.4	Low	67 Å²	67	119.1 Å²	119.1	41%	0.406	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.2	129.6	-178.1	-175.7	0	0	0	0	108.9	P102 V120 V121 E122	P102-V104 PolarHBondContact O-N 2.84Å; P102-V104 VanDerWaalsContact O-N 3.14Å; V104-V120 HydrophobicContact CG1-CB 4.5Å; V104-V120 HydrophobicContact CG1-CG1 3.11Å; V104-V121 WeakPolarHBondContact CA-O 3.46Å; V104-E122 HydrophobicContact CG2-CG 4.26Å
105	I	70.6	Confident	57.7	Low	75 Å²	75	116.9 Å²	116.9	39%	0.385	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.1	140.5	175.4	112.5	173.2	0	0	0	109.6	V107 V121 I123	I105-V107 HydrophobicContact CD1-CG2 3.83Å; I105-V107 HydrophobicContact CG1-CG2 3.45Å; I105-V107 VanDerWaalsContact CG1-CG2 3.45Å; I105-V121 PolarHBondContact N-O 3.05Å; I105-V121 PolarHBondContact O-N 3.3Å; I105-I123 HydrophobicContact CG2-CD1 3.2Å; I105-I123 HydrophobicContact CG2-CG1 3.89Å
106	T	67.8	Low	58.6	Low	94 Å²	94	118.2 Å²	118.2	58%	0.577	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.2	109.1	172.4	38.2	0	0	0	0	109.5	V120	T106-V120 HydrophobicContact CG2-CG2 3.81Å
107	V	70.4	Confident	59.4	Low	56 Å²	56	119.9 Å²	119.9	34%	0.339	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	126.7	179.8	-165	0	0	0	0	108.9	I105 V109 V119 V121	I105-V107 HydrophobicContact CD1-CG2 3.83Å; I105-V107 HydrophobicContact CG1-CG2 3.45Å; I105-V107 VanDerWaalsContact CG1-CG2 3.45Å; V107-V109 HydrophobicContact CB-CG2 4.39Å; V107-V109 HydrophobicContact CG1-CG2 4.26Å; V107-V109 PolarHBondContact O-N 2.78Å; V107-V119 PolarHBondContact N-O 3.14Å; V107-V119 PolarHBondContact O-N 3.26Å; V107-V121 HydrophobicContact CB-CG2 4.26Å; V107-V121 HydrophobicContact CG2-CB 4.28Å; V107-V121 HydrophobicContact CG2-CG2 3.66Å
108	R	67.4	Low	60.2	Low	178 Å²	178	117.1 Å²	117.1	67%	0.672	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.8	109.5	169.4	-78.6	-179.3	175.7	-176.7	-0.7	109.1	E118	R108-E118 HydrophobicContact CG-CG 3.58Å; R108-E118 IonicContact CZ-OE1 3.24Å; R108-E118 VanDerWaalsContact CZ-OE1 3.24Å; R108-E118 IonicContact NE-OE1 3.45Å; R108-E118 PolarHBondContact NE-OE1 3.45Å; R108-E118 IonicContact NH2-OE1 2.8Å; R108-E118 PolarHBondContact NH2-OE1 3.47Å
109	V	70.9	Confident	61.3	Low	70 Å²	70	111.1 Å²	111.1	42%	0.424	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.2	121.8	179.2	-171	0	0	0	0	108.8	V107 K117 V119	V107-V109 HydrophobicContact CB-CG2 4.39Å; V107-V109 HydrophobicContact CG1-CG2 4.26Å; V107-V109 PolarHBondContact O-N 2.78Å; V109-K117 PolarHBondContact N-O 3.17Å; V109-K117 PolarHBondContact O-N 3.46Å; V109-V119 HydrophobicContact CG2-CB 4.38Å; V109-V119 HydrophobicContact CG2-CG2 4.19Å
110	Q	64.2	Low	61.9	Low	119 Å²	119	110.2 Å²	110.2	56%	0.556	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.1	128.4	174.9	-164.5	172.9	-2.4	0	0	109.2	F116	Q110-F116 HydrophobicContact CB-CD1 3.72Å; Q110-F116 HydrophobicContact CB-CE1 3.58Å; Q110-F116 HydrophobicContact CB-CZ 4.45Å; Q110-F116 HydrophobicContact CG-CD1 4Å; Q110-F116 HydrophobicContact CG-CE1 3.64Å; Q110-F116 HydrophobicContact CG-CZ 4.02Å
111	K	64.8	Low	62.5	Low	141 Å²	141	105.9 Å²	105.9	61%	0.613	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-98.5	162.4	164.9	-72.2	-167.6	174.1	-166.6	0	109.9	E113 G114 M115	K111-E113 PolarHBondContact O-N 2.68Å; K111-G114 PolarHBondContact O-N 3.23Å; K111-M115 PolarHBondContact N-O 2.91Å; K111-M115 VanDerWaalsContact N-O 3.1Å
112	D	53.2	Low	62.7	Low	167 Å²	167	106.1 Å²	106.1	89%	0.893	55%	0.546	S	S	*	.	S	Bend	trans	-53	136.1	176.1	-62.3	-37.8	0	0	0	109.8
113	E	59.2	Low	62.9	Low	191 Å²	191	106.2 Å²	106.2	89%	0.893	54%	0.542	S	S	*	.	S	Bend	trans	75.5	40.7	-168.3	-53.7	-176.1	174.8	0	0	116.5	K111 M115	K111-E113 PolarHBondContact O-N 2.68Å; E113-M115 PolarHBondContact O-N 3.23Å
114	G	59	Low	62.6	Low	45 Å²	45	111.3 Å²	111.3	46%	0.464	56%	0.563	S	S	.	*	S	Bend	trans	72	2.4	154.8	0	0	0	0	0	117.1	K111	K111-G114 PolarHBondContact O-N 3.23Å
115	M	54.7	Low	62.6	Low	148 Å²	148	113.9 Å²	113.9	73%	0.729	57%	0.565	S	S	*	*			trans	-91.8	124.8	176.9	-71.5	-71.5	-76.8	0	0	111.2	K111 E113	K111-M115 PolarHBondContact N-O 2.91Å; K111-M115 VanDerWaalsContact N-O 3.1Å; E113-M115 PolarHBondContact O-N 3.23Å
116	F	64.1	Low	61.7	Low	128 Å²	128	114.7 Å²	114.7	56%	0.561	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.4	130.3	177.3	-61.8	-86	0	0	0	110.7	Q110	Q110-F116 HydrophobicContact CB-CD1 3.72Å; Q110-F116 HydrophobicContact CB-CE1 3.58Å; Q110-F116 HydrophobicContact CB-CZ 4.45Å; Q110-F116 HydrophobicContact CG-CD1 4Å; Q110-F116 HydrophobicContact CG-CE1 3.64Å; Q110-F116 HydrophobicContact CG-CZ 4.02Å
117	K	65.9	Low	61	Low	129 Å²	129	118.1 Å²	118.1	56%	0.561	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.7	126.6	173.1	-171.4	176	-179.2	179.9	0	109.5	V109 V119	V109-K117 PolarHBondContact N-O 3.17Å; V109-K117 PolarHBondContact O-N 3.46Å; K117-V119 HydrophobicContact CD-CG2 4.41Å; K117-V119 HydrophobicContact CG-CG2 4.2Å; K117-V119 PolarHBondContact O-N 2.95Å
118	E	64	Low	60.2	Low	112 Å²	112	122.9 Å²	122.9	52%	0.523	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.1	118.1	169.9	-73	179.9	-177.9	0	0	108.9	R108	R108-E118 HydrophobicContact CG-CG 3.58Å; R108-E118 IonicContact CZ-OE1 3.24Å; R108-E118 VanDerWaalsContact CZ-OE1 3.24Å; R108-E118 IonicContact NE-OE1 3.45Å; R108-E118 PolarHBondContact NE-OE1 3.45Å; R108-E118 IonicContact NH2-OE1 2.8Å; R108-E118 PolarHBondContact NH2-OE1 3.47Å
119	V	65.7	Low	59.6	Low	58 Å²	58	124.1 Å²	124.1	35%	0.352	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.2	124.6	179.4	-178.1	0	0	0	0	107.9	V107 V109 K117 V121	V107-V119 PolarHBondContact N-O 3.14Å; V107-V119 PolarHBondContact O-N 3.26Å; V109-V119 HydrophobicContact CG2-CB 4.38Å; V109-V119 HydrophobicContact CG2-CG2 4.19Å; K117-V119 HydrophobicContact CD-CG2 4.41Å; K117-V119 HydrophobicContact CG-CG2 4.2Å; K117-V119 PolarHBondContact O-N 2.95Å; V119-V121 HydrophobicContact CG1-CG2 4.18Å
120	V	59.4	Low	58.8	Low	100 Å²	100	130 Å²	130	61%	0.606	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78	118.8	174.8	-177.3	0	0	0	0	107.5	V104 T106	V104-V120 HydrophobicContact CG1-CB 4.5Å; V104-V120 HydrophobicContact CG1-CG1 3.11Å; T106-V120 HydrophobicContact CG2-CG2 3.81Å
121	V	65	Low	58.5	Low	63 Å²	63	128.7 Å²	128.7	38%	0.382	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.6	124.3	-177.2	-167.4	0	0	0	0	109	V104 I105 V107 V119	V104-V121 WeakPolarHBondContact CA-O 3.46Å; I105-V121 PolarHBondContact N-O 3.05Å; I105-V121 PolarHBondContact O-N 3.3Å; V107-V121 HydrophobicContact CB-CG2 4.26Å; V107-V121 HydrophobicContact CG2-CB 4.28Å; V107-V121 HydrophobicContact CG2-CG2 3.66Å; V119-V121 HydrophobicContact CG1-CG2 4.18Å
122	E	55.5	Low	58.5	Low	131 Å²	131	129.4 Å²	129.4	61%	0.612	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.9	130	173.1	-65.2	179.9	170.6	0	0	109.6	V104	V104-E122 HydrophobicContact CG2-CG 4.26Å
123	I	62.2	Low	59.2	Low	77 Å²	77	126.1 Å²	126.1	40%	0.395	62%	0.623	S	S	.	*			trans	-93.8	110.6	178.9	-61	175.1	0	0	0	109.3	D103 I105 R125	D103-I123 PolarHBondContact O-N 3.2Å; I105-I123 HydrophobicContact CG2-CD1 3.2Å; I105-I123 HydrophobicContact CG2-CG1 3.89Å; I123-R125 PolarHBondContact O-N 3.4Å
124	E	53.6	Low	59.6	Low	188 Å²	188	118 Å²	118	88%	0.879	59%	0.59	S	S	*	*			trans	-80.8	113.7	170.9	-164.6	-178.9	176.2	0	0	110.8	S126	E124-S126 PolarHBondContact O-N 3.28Å
125	R	57.6	Low	60.4	Low	122 Å²	122	117.8 Å²	117.8	46%	0.46	59%	0.588	S	S	.	*			trans	-80.9	94.7	-178.6	-58.2	178.8	-168.9	-155.3	-2.1	110.8	M101 D103 I123 H127	M101-R125 PolarHBondContact O-NH2 3.47Å; D103-R125 IonicContact OD1-CZ 3.6Å; D103-R125 VanDerWaalsContact OD1-CZ 3.23Å; D103-R125 IonicContact OD1-NE 2.67Å; D103-R125 PolarHBondContact OD1-NE 2.76Å; D103-R125 VanDerWaalsContact OD1-NE 3.1Å; D103-R125 IonicContact OD1-NH2 3.23Å; D103-R125 PolarHBondContact OD1-NH2 2.79Å; I123-R125 PolarHBondContact O-N 3.4Å; R125-H127 PolarHBondContact O-N 2.96Å
126	S	52.3	Low	61.4	Low	91 Å²	91	118.1 Å²	118.1	64%	0.636	58%	0.582	S	S	*	*			trans	-78.6	116.8	170.3	171.9	0	0	0	0	111.2	E124 Q128	E124-S126 PolarHBondContact O-N 3.28Å; S126-Q128 PolarHBondContact O-N 3.27Å; S126-Q128 PolarHBondContact OG-N 3.12Å
127	H	51.8	Low	62	Low	167 Å²	167	119.9 Å²	119.9	77%	0.773	59%	0.585	S	S	*	*			trans	-75.9	4.5	173.6	-66.4	-76	0	0	0	113.9	R125 K129	R125-H127 PolarHBondContact O-N 2.96Å; H127-K129 PolarHBondContact O-N 3.35Å
128	Q	54.8	Low	62.1	Low	155 Å²	155	118 Å²	118	72%	0.724	58%	0.578	S	S	*	*			trans	-84	115.8	-179.8	-69.2	-176.6	-1.2	0	0	110.6	S126 K130	S126-Q128 PolarHBondContact O-N 3.27Å; S126-Q128 PolarHBondContact OG-N 3.12Å; Q128-K130 PolarHBondContact O-N 3.47Å; Q128-K130 VanDerWaalsContact O-N 3.16Å
129	K	53.7	Low	62.4	Low	204 Å²	204	124.2 Å²	124.2	89%	0.887	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-60.9	117.4	169.3	-74.7	-176.8	176.5	179.6	0	108.8	H127	H127-K129 PolarHBondContact O-N 3.35Å
130	K	55.2	Low	62.5	Low	194 Å²	194	129.1 Å²	129.1	84%	0.843	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-58.3	129.4	175.2	-75.7	-177	177.7	178.4	0	109.3	Q128	Q128-K130 PolarHBondContact O-N 3.47Å; Q128-K130 VanDerWaalsContact O-N 3.16Å
131	P	57.3	Low	63.3	Low	92 Å²	92	129.2 Å²	129.2	60%	0.597	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-67.4	136.3	174.5	26.4	-31.4	0	0	0	109.8	L133	P131-L133 PolarHBondContact O-N 3.01Å
132	F	64.9	Low	63.8	Low	155 Å²	155	127.5 Å²	127.5	68%	0.68	62%	0.616	S	S	*	*			trans	-73.1	108.4	176.8	177.2	-99.3	0	0	0	109.7	G134 H146	F132-G134 VanDerWaalsContact C-N 3.35Å; F132-H146 AromaticContact CD2-ND1 3.81Å; F132-H146 AromaticContact CE2-CE1 3.57Å; F132-H146 AromaticContact CE2-ND1 3.33Å; F132-H146 VanDerWaalsContact CE2-ND1 3.33Å; F132-H146 WeakPolarHBondContact CE2-ND1 3.34Å
133	L	66.3	Low	64.2	Low	99 Å²	99	123 Å²	123	52%	0.518	60%	0.601	S	S	.	*			trans	-98.2	22.5	-179	-61.3	-179.9	0	0	0	113	P131 N147 A149	P131-L133 PolarHBondContact O-N 3.01Å; L133-N147 PolarHBondContact O-ND2 3.25Å; L133-A149 HydrophobicContact CD1-CB 3.52Å
134	G	67.9	Low	64.6	Low	21 Å²	21	124.8 Å²	124.8	22%	0.216	61%	0.608	C	S	.	*			trans	80.1	177.1	-174.6	0	0	0	0	0	113.6	F132 N147	F132-G134 VanDerWaalsContact C-N 3.35Å; G134-N147 PolarHBondContact O-N 3.34Å
135	G	76.4	Confident	65.4	Low	39 Å²	39	122 Å²	122	40%	0.402	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	176.7	-177.7	-175	0	0	0	0	0	111.7	Y145	G135-Y145 CarbonylContact C-O 3.5Å; G135-Y145 WeakPolarHBondContact CA-O 3.43Å
136	Y	75.3	Confident	66	Low	156 Å²	156	121.5 Å²	121.5	61%	0.612	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	177.6	17.9	-88.5	0	0	0	110.5	Y145 N147	Y136-Y145 PolarHBondContact N-O 3.2Å; Y136-Y145 PolarHBondContact O-N 3.25Å; Y136-N147 WeakPolarHBondContact CE1-OD1 3.44Å
137	R	77.5	Confident	66.8	Low	165 Å²	165	120.5 Å²	120.5	62%	0.623	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.4	122.1	177.9	-173.9	171.8	-177.8	-168.9	-7	109.9	R139 G142 A143 E144	R137-R139 PolarHBondContact O-N 3.12Å; R137-G142 PolarHBondContact NE-O 3.24Å; R137-A143 WeakPolarHBondContact CA-O 3.36Å; R137-E144 HydrophobicContact CB-CG 4.06Å; R137-E144 WeakPolarHBondContact CD-OE1 3.45Å; R137-E144 HydrophobicContact CG-CG 3.71Å; R137-E144 IonicContact CZ-OE1 3.83Å; R137-E144 IonicContact NE-OE1 3.87Å; R137-E144 IonicContact NH1-OE1 2.79Å
138	H	68.6	Low	67.4	Low	88 Å²	88	117.2 Å²	117.2	41%	0.407	58%	0.582	S	S	.	*			trans	-70.6	120.8	175.2	-172.3	-101.8	0	0	0	109.6	L140 T141 G142 A143 Y145	H138-L140 PolarHBondContact O-N 3.14Å; H138-T141 PolarHBondContact ND1-N 2.94Å; H138-T141 PolarHBondContact ND1-OG1 3.2Å; H138-G142 WeakPolarHBondContact O-CA 3.25Å; H138-G142 PolarHBondContact O-N 2.86Å; H138-A143 PolarHBondContact N-O 2.9Å; H138-Y145 HydrophobicContact CB-CE2 4Å
139	R	69.9	Low	67.5	Low	243 Å²	243	112.4 Å²	112.4	92%	0.917	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-30.4	-166.8	-74.8	-174.5	176	-173.6	-0.7	114.6	R137	R137-R139 PolarHBondContact O-N 3.12Å
140	L	67	Low	67.5	Low	162 Å²	162	108.8 Å²	108.8	85%	0.848	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-40.1	-175.1	-69.3	170.3	0	0	0	113.2	H138	H138-L140 PolarHBondContact O-N 3.14Å
141	T	77.1	Confident	67.3	Low	101 Å²	101	108.9 Å²	108.9	62%	0.62	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-11.5	-180	57.5	0	0	0	0	112.4	H138 A143	H138-T141 PolarHBondContact ND1-N 2.94Å; H138-T141 PolarHBondContact ND1-OG1 3.2Å; T141-A143 PolarHBondContact O-N 3.04Å; T141-A143 VanDerWaalsContact O-N 3.13Å
142	G	74.4	Confident	66.6	Low	27 Å²	27	110 Å²	110	28%	0.278	57%	0.572	S	S	.	*			trans	71.2	-1.7	-177.9	0	0	0	0	0	114.6	R137 H138	R137-G142 PolarHBondContact NE-O 3.24Å; H138-G142 WeakPolarHBondContact O-CA 3.25Å; H138-G142 PolarHBondContact O-N 2.86Å
143	A	65.3	Low	65.9	Low	38 Å²	38	110 Å²	110	31%	0.314	58%	0.579	S	S	.	*			trans	-66.5	130.1	-176.4	0	0	0	0	0	111.4	R137 H138 T141 Y145	R137-A143 WeakPolarHBondContact CA-O 3.36Å; H138-A143 PolarHBondContact N-O 2.9Å; T141-A143 PolarHBondContact O-N 3.04Å; T141-A143 VanDerWaalsContact O-N 3.13Å; A143-Y145 HydrophobicContact CB-CE2 4.08Å
144	E	68.6	Low	65.3	Low	114 Å²	114	110.9 Å²	110.9	53%	0.533	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	120.8	-179.2	-65.5	-176.2	177.4	0	0	109.9	R137	R137-E144 HydrophobicContact CB-CG 4.06Å; R137-E144 WeakPolarHBondContact CD-OE1 3.45Å; R137-E144 HydrophobicContact CG-CG 3.71Å; R137-E144 IonicContact CZ-OE1 3.83Å; R137-E144 IonicContact NE-OE1 3.87Å; R137-E144 IonicContact NH1-OE1 2.79Å
145	Y	70.4	Confident	64.2	Low	130 Å²	130	119.7 Å²	119.7	51%	0.51	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	111.9	177.6	-61.4	-85.4	0	0	0	108.8	G135 Y136 H138 A143	G135-Y145 CarbonylContact C-O 3.5Å; G135-Y145 WeakPolarHBondContact CA-O 3.43Å; Y136-Y145 PolarHBondContact N-O 3.2Å; Y136-Y145 PolarHBondContact O-N 3.25Å; H138-Y145 HydrophobicContact CB-CE2 4Å; A143-Y145 HydrophobicContact CB-CE2 4.08Å
146	H	70.2	Confident	62.8	Low	110 Å²	110	127.7 Å²	127.7	51%	0.509	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	141.5	178.2	-58.8	-61.1	0	0	0	111.4	F132 A148	F132-H146 AromaticContact CD2-ND1 3.81Å; F132-H146 AromaticContact CE2-CE1 3.57Å; F132-H146 AromaticContact CE2-ND1 3.33Å; F132-H146 VanDerWaalsContact CE2-ND1 3.33Å; F132-H146 WeakPolarHBondContact CE2-ND1 3.34Å; H146-A148 PolarHBondContact O-N 3.06Å
147	N	70.8	Confident	61.3	Low	71 Å²	71	131.1 Å²	131.1	38%	0.38	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-65.8	132.2	174	-67.3	-30.1	0	0	0	109.8	L133 G134 Y136 A149	L133-N147 PolarHBondContact O-ND2 3.25Å; G134-N147 PolarHBondContact O-N 3.34Å; Y136-N147 WeakPolarHBondContact CE1-OD1 3.44Å; N147-A149 PolarHBondContact O-N 3.29Å
148	A	62.9	Low	59.7	Low	97 Å²	97	128.5 Å²	128.5	80%	0.802	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-73.8	127.3	179.4	0	0	0	0	0	111.2	H146	H146-A148 PolarHBondContact O-N 3.06Å
149	A	57.2	Low	58.5	Low	55 Å²	55	132.5 Å²	132.5	46%	0.455	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-74	129.6	163.6	0	0	0	0	0	109	L133 N147 Q151	L133-A149 HydrophobicContact CD1-CB 3.52Å; N147-A149 PolarHBondContact O-N 3.29Å; A149-Q151 PolarHBondContact O-N 3.33Å
150	V	53.1	Low	57.3	Low	128 Å²	128	131.9 Å²	131.9	78%	0.776	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-63.7	130.6	176.9	-177.6	0	0	0	0	109.8	T152	V150-T152 VanDerWaalsContact C-N 3.25Å; V150-T152 PolarHBondContact O-N 2.57Å
151	Q	51	Low	56.1	Low	195 Å²	195	129.9 Å²	129.9	91%	0.911	68%	0.679	S	S	*	*			trans	-83.6	47.4	-170.8	-161.3	179.4	1.5	0	0	112.6	A149	A149-Q151 PolarHBondContact O-N 3.33Å
152	T	44.2	Very low	54.7	Low	115 Å²	115	135.1 Å²	135.1	71%	0.706	69%	0.693	S	S	*	*			trans	-105.7	106.2	171.1	44.8	0	0	0	0	109.8	V150	V150-T152 VanDerWaalsContact C-N 3.25Å; V150-T152 PolarHBondContact O-N 2.57Å
153	L	50.3	Low	53.2	Low	156 Å²	156	142.3 Å²	142.3	82%	0.817	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.1	125.2	173.4	-71.6	163.8	0	0	0	109.3	K155	L153-K155 PolarHBondContact O-N 3.11Å
154	P	52.2	Low	52.2	Low	117 Å²	117	148.2 Å²	148.2	76%	0.76	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-63.4	134.9	171.6	23.9	-30.2	0	0	0	109.7	K156	P154-K156 PolarHBondContact O-N 2.97Å; P154-K156 VanDerWaalsContact O-N 3.11Å
155	K	44.7	Very low	50.8	Low	206 Å²	206	148.4 Å²	148.4	90%	0.896	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-56.2	116.5	175.2	-90.4	-176.5	173.7	179.1	0	109.8	L153 R157	L153-K155 PolarHBondContact O-N 3.11Å; K155-R157 PolarHBondContact O-N 3.11Å
156	K	48.4	Very low	49.7	Very low	207 Å²	207	147.6 Å²	147.6	90%	0.9	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.7	124.8	167.1	-79	-176.6	175.6	179.7	0	108.5	P154	P154-K156 PolarHBondContact O-N 2.97Å; P154-K156 VanDerWaalsContact O-N 3.11Å
157	R	42.9	Very low	48.6	Very low	229 Å²	229	147.6 Å²	147.6	86%	0.864	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-76.4	140.8	170.9	-68.3	-177.9	179.1	177.3	-0.4	108.3	K155 D159	K155-R157 PolarHBondContact O-N 3.11Å; R157-D159 PolarHBondContact O-N 3.22Å
158	P	43.3	Very low	47.3	Very low	110 Å²	110	153 Å²	153	71%	0.714	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.3	135.1	176.9	25.7	-31.8	0	0	0	109.8	R160	P158-R160 PolarHBondContact O-N 3.24Å
159	D	44.1	Very low	47.1	Very low	172 Å²	172	152.7 Å²	152.7	92%	0.92	79%	0.787	S	S	*	*			trans	-58.1	98	178.9	-86.1	-29.4	0	0	0	110.2	R157	R157-D159 PolarHBondContact O-N 3.22Å
160	R	44.6	Very low	47.1	Very low	230 Å²	230	155.6 Å²	155.6	87%	0.868	80%	0.801	S	S	*	*			trans	-87.3	115.4	166.7	-73.7	-171	176	-173.3	-1	108	P158	P158-R160 PolarHBondContact O-N 3.24Å
161	V	43.2	Very low	47.4	Very low	119 Å²	119	158.4 Å²	158.4	72%	0.721	80%	0.803	S	S	*	*			trans	0.6	118	158.9	-172.2	0	0	0	0	114	F163	V161-F163 WeakPolarHBondContact O-CD2 3.44Å; V161-F163 PolarHBondContact O-N 3.12Å
162	K	46.9	Very low	48.2	Very low	212 Å²	212	157.9 Å²	157.9	92%	0.922	80%	0.8	S	S	*	*			trans	-47	91.2	-180	-68.9	172.9	178.3	172.8	0	112.5
163	F	43.7	Very low	49.4	Very low	178 Å²	178	159.4 Å²	159.4	78%	0.781	81%	0.81	S	S	*	*			trans	-91.9	134.1	153.1	-74.1	-83.5	0	0	0	107.9	V161 C165	V161-F163 WeakPolarHBondContact O-CD2 3.44Å; V161-F163 PolarHBondContact O-N 3.12Å; F163-C165 PolarHBondContact O-N 3.43Å
164	I	43.5	Very low	50.7	Low	161 Å²	161	155.5 Å²	155.5	83%	0.826	80%	0.8	S	S	*	*			trans	-33.5	110.6	176.9	-64.7	157.7	0	0	0	110.3	V166	I164-V166 VanDerWaalsContact C-N 3.3Å; I164-V166 PolarHBondContact O-N 3.01Å
165	C	39.9	Very low	51.8	Low	119 Å²	119	157.8 Å²	157.8	80%	0.804	80%	0.8	S	S	*	*			trans	-69	90.7	173.7	-65.7	0	0	0	0	108.5	F163 S167	F163-C165 PolarHBondContact O-N 3.43Å; C165-S167 PolarHBondContact O-N 3.19Å
166	V	45.4	Very low	53.7	Low	112 Å²	112	156 Å²	156	68%	0.679	80%	0.8	S	S	*	*			trans	-62.6	116.1	151.6	-179.4	0	0	0	0	105.1	I164 F168	I164-V166 VanDerWaalsContact C-N 3.3Å; I164-V166 PolarHBondContact O-N 3.01Å; V166-F168 VanDerWaalsContact C-N 3.27Å; V166-F168 PolarHBondContact O-N 2.89Å
167	S	47.1	Very low	55.5	Low	110 Å²	110	154 Å²	154	77%	0.769	79%	0.791	S	S	*	*			trans	-59.7	86.7	-178.5	-38.1	0	0	0	0	110.3	C165 S169	C165-S167 PolarHBondContact O-N 3.19Å; S167-S169 PolarHBondContact O-N 3.32Å; S167-S169 VanDerWaalsContact O-N 3.11Å
168	F	45.5	Very low	57.5	Low	186 Å²	186	148.9 Å²	148.9	82%	0.816	79%	0.791	S	S	*	*			trans	-72.7	103.5	167.3	-110.6	-93.5	0	0	0	106.6	V166 P170	V166-F168 VanDerWaalsContact C-N 3.27Å; V166-F168 PolarHBondContact O-N 2.89Å; F168-P170 WeakPolarHBondContact O-CD 3.43Å
169	S	58	Low	59.5	Low	90 Å²	90	153.2 Å²	153.2	63%	0.629	80%	0.798	S	S	*	*			trans	-77.3	107.6	161.8	-74.5	0	0	0	0	107.6	S167 K171	S167-S169 PolarHBondContact O-N 3.32Å; S167-S169 VanDerWaalsContact O-N 3.11Å; S169-K171 VanDerWaalsContact C-N 3.31Å; S169-K171 PolarHBondContact O-N 3.25Å
170	P	57.8	Low	61.5	Low	115 Å²	115	153.7 Å²	153.7	75%	0.747	80%	0.8	S	S	*	*			trans	-70.3	92.8	172	30	-33.1	0	0	0	108.1	F168 Q172	F168-P170 WeakPolarHBondContact O-CD 3.43Å; P170-Q172 PolarHBondContact O-N 3.23Å
171	K	59.3	Low	63.4	Low	188 Å²	188	151.7 Å²	151.7	82%	0.817	80%	0.801	S	S	*	*			trans	-75.2	108.5	167.5	-68.3	-172.8	-179.4	-179.5	0	107.4	S169 T173	S169-K171 VanDerWaalsContact C-N 3.31Å; S169-K171 PolarHBondContact O-N 3.25Å; K171-T173 PolarHBondContact O-N 3.42Å
172	Q	67.9	Low	65.4	Low	183 Å²	183	154.7 Å²	154.7	86%	0.855	81%	0.807	S	S	*	*			trans	-79.5	112.6	168.1	-67.8	-177.4	-7.8	0	0	107.9	P170 A174	P170-Q172 PolarHBondContact O-N 3.23Å; Q172-A174 PolarHBondContact O-N 2.88Å
173	T	68.1	Low	67.3	Low	148 Å²	148	149.7 Å²	149.7	91%	0.908	80%	0.797	S	S	*	*			trans	-76.7	101.9	174.3	-38.9	0	0	0	0	108	K171	K171-T173 PolarHBondContact O-N 3.42Å
174	A	78	Confident	69.3	Low	73 Å²	73	146.2 Å²	146.2	60%	0.603	80%	0.795	S	S	*	*			trans	-106.3	138.3	175.6	0	0	0	0	0	110.6	Q172 L176	Q172-A174 PolarHBondContact O-N 2.88Å; A174-L176 PolarHBondContact O-N 3.32Å; A174-L176 VanDerWaalsContact O-N 3.16Å
175	E	76.4	Confident	71.2	Confident	165 Å²	165	144.1 Å²	144.1	77%	0.771	79%	0.789	S	S	*	*			trans	-74.5	100.2	169.6	-72.6	-172.4	-176.4	0	0	109.9	K177	E175-K177 PolarHBondContact O-N 3.45Å; E175-K177 WeakPolarHBondContact OE2-CE 3.32Å; E175-K177 IonicContact OE2-NZ 3.85Å; E175-K177 PolarHBondContact OE2-NZ 3.24Å
176	L	84.4	Confident	73.5	Confident	170 Å²	170	145.6 Å²	145.6	89%	0.89	79%	0.789	S	S	*	*			trans	-76.9	118.6	172.4	-67.9	168.3	0	0	0	109.6	A174	A174-L176 PolarHBondContact O-N 3.32Å; A174-L176 VanDerWaalsContact O-N 3.16Å
177	K	84.7	Confident	75.3	Confident	164 Å²	164	148.7 Å²	148.7	71%	0.713	80%	0.798	S	S	*	*			trans	-114.6	118.9	173.6	-65.4	-179.1	-176.3	170.8	0	109.6	E175	E175-K177 PolarHBondContact O-N 3.45Å; E175-K177 WeakPolarHBondContact OE2-CE 3.32Å; E175-K177 IonicContact OE2-NZ 3.85Å; E175-K177 PolarHBondContact OE2-NZ 3.24Å
178	S	85.8	Confident	76.9	Confident	122 Å²	122	149.2 Å²	149.2	85%	0.853	80%	0.802	S	S	*	*			trans	-78.1	125.6	174.6	54.7	0	0	0	0	110.5
179	K	84.6	Confident	78.7	Confident	200 Å²	200	146.7 Å²	146.7	87%	0.87	80%	0.802	S	S	*	*			trans	-111.6	129.2	170.2	-68.1	-175.5	179.7	-179.1	0	109.1
180	L	86.3	Confident	79.8	Confident	183 Å²	183	148.6 Å²	148.6	96%	0.958	80%	0.801	S	S	*	*			trans	-87.8	138	174.1	-68.6	164.3	0	0	0	109.2
181	Q	85.6	Confident	80.9	Confident	188 Å²	188	150.9 Å²	150.9	88%	0.879	80%	0.804	S	S	*	*			trans	-120.8	126.9	173.7	-173.9	174.1	-0.4	0	0	108.5
182	Q	85.4	Confident	81.9	Confident	182 Å²	182	147.2 Å²	147.2	85%	0.85	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-101	128.2	177.7	-171.6	172.7	-2.8	0	0	109.4
183	C	86.6	Confident	82.4	Confident	106 Å²	106	140.6 Å²	140.6	72%	0.716	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-78.4	154.1	171.9	-61.1	0	0	0	0	110.6
184	S	85.1	Confident	82.7	Confident	105 Å²	105	142.6 Å²	142.6	73%	0.734	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-62.5	135.4	172	52.7	0	0	0	0	110.2
185	V	83.4	Confident	82.6	Confident	118 Å²	118	143.3 Å²	143.3	72%	0.715	80%	0.796	S	S	*	*			trans	-113.6	115.1	174.5	-179.8	0	0	0	0	107.1
186	D	87.2	Confident	82.5	Confident	149 Å²	149	137.9 Å²	137.9	80%	0.797	78%	0.775	S	S	*	*			trans	-89.9	134.5	178	-59.5	-35.8	0	0	0	109.8
187	M	83.8	Confident	82.2	Confident	177 Å²	177	139.5 Å²	139.5	87%	0.872	77%	0.771	S	S	*	*			trans	-126.4	132.9	172.1	-70.7	-166.4	74.2	0	0	109.5
188	S	81.6	Confident	81.8	Confident	122 Å²	122	133.6 Å²	133.6	85%	0.853	75%	0.749	S	S	*	*			trans	-113	134	176.4	58.2	0	0	0	0	110.5
189	T	82.6	Confident	81.5	Confident	133 Å²	133	131.2 Å²	131.2	82%	0.816	73%	0.732	S	S	*	*			trans	-113.2	135.9	172.9	50.5	0	0	0	0	109.8
190	Q	81	Confident	81.1	Confident	130 Å²	130	125.3 Å²	125.3	61%	0.607	72%	0.715	S	S	*	*			trans	-114.6	124.7	178.1	-172	166.9	10.2	0	0	109.6	C196 V198	Q190-C196 PolarHBondContact NE2-SG 3.38Å; Q190-V198 HydrophobicContact CB-CG2 4.22Å; Q190-V198 HydrophobicContact CG-CG2 3.86Å
191	M	82.3	Confident	80.8	Confident	162 Å²	162	122.6 Å²	122.6	80%	0.798	71%	0.706	S	S	*	*			trans	-74.6	144.1	178.9	-63.7	-64.1	-172.9	0	0	110.8	G193	M191-G193 PolarHBondContact O-N 3.17Å
192	T	78.4	Confident	80.6	Confident	111 Å²	111	120.7 Å²	120.7	68%	0.681	70%	0.702	S	S	*	*			trans	-74.6	122	173.4	46	0	0	0	0	109.8	V198	T192-V198 HydrophobicContact CG2-CB 4.12Å; T192-V198 HydrophobicContact CG2-CG2 4.44Å
193	G	78.6	Confident	80.6	Confident	44 Å²	44	117.2 Å²	117.2	45%	0.454	69%	0.689	S	S	.	*	B	Isolated β-bridge	trans	-139.6	157	-178.9	0	0	0	0	0	111.6	M191 G195 C196	M191-G193 PolarHBondContact O-N 3.17Å; G193-G195 PolarHBondContact O-N 3.46Å; G193-G195 VanDerWaalsContact O-N 3.16Å; G193-C196 PolarHBondContact O-N 3.05Å
194	I	74.3	Confident	80.5	Confident	190 Å²	190	121.2 Å²	121.2	97%	0.974	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	118.9	-179.5	-58.6	168.9	0	0	0	108.6
195	G	77.6	Confident	80.6	Confident	88 Å²	88	125 Å²	125	91%	0.907	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.8	-2	-176.2	0	0	0	0	0	115.4	G193	G193-G195 PolarHBondContact O-N 3.46Å; G193-G195 VanDerWaalsContact O-N 3.16Å
196	C	73.9	Confident	80.8	Confident	51 Å²	51	125.4 Å²	125.4	35%	0.345	71%	0.708	S	S	.	*	B	Isolated β-bridge	trans	-119.6	113	178	-174.9	0	0	0	0	111	Q190 G193	Q190-C196 PolarHBondContact NE2-SG 3.38Å; G193-C196 PolarHBondContact O-N 3.05Å
197	Y	76.6	Confident	80.9	Confident	204 Å²	204	124 Å²	124	80%	0.8	70%	0.704	S	S	*	*			trans	-83.9	123.8	179.1	-178.9	-99.3	0	0	0	111.2
198	V	77.9	Confident	81.1	Confident	41 Å²	41	121.8 Å²	121.8	25%	0.248	70%	0.703	C	S	.	*			trans	-125.7	129.8	173.9	-176.8	0	0	0	0	108.1	Q190 T192	Q190-V198 HydrophobicContact CB-CG2 4.22Å; Q190-V198 HydrophobicContact CG-CG2 3.86Å; T192-V198 HydrophobicContact CG2-CB 4.12Å; T192-V198 HydrophobicContact CG2-CG2 4.44Å
199	S	78.9	Confident	81.4	Confident	71 Å²	71	122.1 Å²	122.1	50%	0.497	70%	0.7	S	S	.	*			trans	-83.8	117.1	-177.2	64	0	0	0	0	111.7	V201	S199-V201 VanDerWaalsContact C-N 3.34Å
200	C	75.9	Confident	81.6	Confident	77 Å²	77	125.3 Å²	125.3	52%	0.52	70%	0.703	S	S	.	*			trans	-90.8	12	178	-60.6	0	0	0	0	114.5	N202 D203	C200-N202 VanDerWaalsContact C-N 3.32Å; C200-N202 PolarHBondContact O-N 2.85Å; C200-D203 VanDerWaalsContact CA-OD2 3.29Å; C200-D203 WeakPolarHBondContact CA-OD2 3.17Å; C200-D203 WeakPolarHBondContact CB-OD2 3.24Å; C200-D203 WeakPolarHBondContact O-CB 3.45Å; C200-D203 PolarHBondContact O-N 2.82Å
201	V	80.1	Confident	82	Confident	125 Å²	125	128.3 Å²	128.3	76%	0.758	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-33	-169.3	-179.1	0	0	0	0	112.7	S199	S199-V201 VanDerWaalsContact C-N 3.34Å
202	N	82.6	Confident	82.3	Confident	148 Å²	148	123.1 Å²	123.1	79%	0.791	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	5	-179.6	-67.5	-22.5	0	0	0	113.2	C200	C200-N202 VanDerWaalsContact C-N 3.32Å; C200-N202 PolarHBondContact O-N 2.85Å
203	D	84.4	Confident	83	Confident	110 Å²	110	120.5 Å²	120.5	59%	0.588	67%	0.671	S	S	*	*			trans	-76.2	145.9	-177.4	-66	-12.5	0	0	0	110.6	C200	C200-D203 VanDerWaalsContact CA-OD2 3.29Å; C200-D203 WeakPolarHBondContact CA-OD2 3.17Å; C200-D203 WeakPolarHBondContact CB-OD2 3.24Å; C200-D203 WeakPolarHBondContact O-CB 3.45Å; C200-D203 PolarHBondContact O-N 2.82Å
204	K	85.6	Confident	83.7	Confident	189 Å²	189	121 Å²	121	82%	0.822	67%	0.671	S	S	*	*			trans	-115.8	123.9	177.9	-65.5	-177	-178	178.9	0	109.7	V206	K204-V206 PolarHBondContact O-N 2.98Å
205	L	86	Confident	84.5	Confident	186 Å²	186	118.3 Å²	118.3	97%	0.974	66%	0.659	S	S	*	*			trans	-77	120	170	-65.5	172.6	0	0	0	108.9
206	V	87.6	Confident	85.2	Confident	126 Å²	126	119.1 Å²	119.1	76%	0.764	64%	0.639	S	S	*	*			trans	-116.9	127.1	179.6	-174.5	0	0	0	0	108.9	K204	K204-V206 PolarHBondContact O-N 2.98Å
207	T	90.4	Very high	86.1	Confident	118 Å²	118	122.7 Å²	122.7	72%	0.724	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-79.1	131.6	173.1	50.1	0	0	0	0	110.1	V209	T207-V209 PolarHBondContact O-N 3.3Å
208	P	86.4	Confident	87	Confident	131 Å²	131	118 Å²	118	85%	0.851	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-65	129.8	-178.6	26	-32.8	0	0	0	110.9
209	V	87.5	Confident	87.8	Confident	129 Å²	129	117.5 Å²	117.5	78%	0.782	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-85.5	164.9	170.9	-175.2	0	0	0	0	108.9	T207 Y211	T207-V209 PolarHBondContact O-N 3.3Å; V209-Y211 PolarHBondContact O-N 3.17Å
210	K	88.6	Confident	88.5	Confident	200 Å²	200	120.7 Å²	120.7	87%	0.87	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-46.5	116.6	171.5	-79.7	-173.1	176.9	-177.2	0	110.5
211	Y	88.1	Confident	89.5	Confident	193 Å²	193	123.8 Å²	123.8	76%	0.757	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-70.4	132.3	174.5	-179.7	-103.2	0	0	0	109.4	V209 T213	V209-Y211 PolarHBondContact O-N 3.17Å; Y211-T213 HydrophobicContact CD1-CG2 4.41Å; Y211-T213 HydrophobicContact CE1-CG2 4.39Å
212	V	89.6	Confident	90.2	Very high	54 Å²	54	122.9 Å²	122.9	33%	0.327	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-95.6	120.7	173.4	175.3	0	0	0	0	107.5	E216 R220	V212-E216 HydrophobicContact CG1-CB 4.01Å; V212-R220 VanDerWaalsContact CG2-NH2 3.29Å
213	T	92.4	Very high	90.8	Very high	55 Å²	55	121 Å²	121	34%	0.337	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-66.7	154.5	174.9	62.9	0	0	0	0	110.3	Y211 D215 E216 Y217	Y211-T213 HydrophobicContact CD1-CG2 4.41Å; Y211-T213 HydrophobicContact CE1-CG2 4.39Å; T213-D215 PolarHBondContact O-N 3.47Å; T213-E216 PolarHBondContact O-N 3.16Å; T213-E216 WeakPolarHBondContact OG1-CB 3.43Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.45Å; T213-E216 PolarHBondContact OG1-N 2.87Å; T213-Y217 PolarHBondContact O-N 3.06Å
214	A	92.3	Very high	91.4	Very high	56 Å²	56	118.2 Å²	118.2	46%	0.463	61%	0.608	S	S	.	*	H	α-helix	trans	-56.3	-41.1	177.9	0	0	0	0	0	111.2	Y217 H218	A214-Y217 PolarHBondContact O-N 2.98Å; A214-H218 WeakPolarHBondContact O-CB 3.19Å; A214-H218 PolarHBondContact O-CD2 2.88Å; A214-H218 PolarHBondContact O-N 3.26Å
215	D	92.7	Very high	91.9	Very high	133 Å²	133	112 Å²	112	71%	0.711	59%	0.586	S	S	*	*	H	α-helix	trans	-64	-43	179.8	-60.6	-26.6	0	0	0	112.4	T213 Y217 H218 G219	T213-D215 PolarHBondContact O-N 3.47Å; D215-Y217 VanDerWaalsContact C-N 3.32Å; D215-Y217 PolarHBondContact O-N 3.26Å; D215-H218 PolarHBondContact O-N 3.47Å; D215-G219 PolarHBondContact O-N 3.29Å
216	E	92.6	Very high	92.4	Very high	105 Å²	105	107.4 Å²	107.4	49%	0.491	56%	0.562	S	S	.	*	H	α-helix	trans	-65.2	-34.9	175.1	-76.2	175.7	-162.8	0	0	112.8	V212 T213 R220	V212-E216 HydrophobicContact CG1-CB 4.01Å; T213-E216 PolarHBondContact O-N 3.16Å; T213-E216 WeakPolarHBondContact OG1-CB 3.43Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.45Å; T213-E216 PolarHBondContact OG1-N 2.87Å; E216-R220 WeakPolarHBondContact O-CG 3.41Å; E216-R220 PolarHBondContact O-N 3.25Å; E216-R220 PolarHBondContact O-NE 2.88Å; E216-R220 IonicContact OE2-NH2 2.76Å
217	Y	92.3	Very high	92.8	Very high	125 Å²	125	104.2 Å²	104.2	49%	0.49	54%	0.544	S	S	.	.	H	α-helix	trans	-70.7	-43.8	175.6	179.8	-103.8	0	0	0	111.5	T213 A214 D215 R220 R221	T213-Y217 PolarHBondContact O-N 3.06Å; A214-Y217 PolarHBondContact O-N 2.98Å; D215-Y217 VanDerWaalsContact C-N 3.32Å; D215-Y217 PolarHBondContact O-N 3.26Å; Y217-R220 PolarHBondContact O-N 3.43Å; Y217-R221 HydrophobicContact CE1-CG 4.3Å; Y217-R221 PolarHBondContact O-N 3.19Å
218	H	94.7	Very high	93.1	Very high	107 Å²	107	104 Å²	104	50%	0.495	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-39.7	176.9	-72.3	-54.3	0	0	0	112.2	A214 D215 R221 L222	A214-H218 WeakPolarHBondContact O-CB 3.19Å; A214-H218 PolarHBondContact O-CD2 2.88Å; A214-H218 PolarHBondContact O-N 3.26Å; D215-H218 PolarHBondContact O-N 3.47Å; H218-R221 PolarHBondContact O-N 3.23Å; H218-L222 WeakPolarHBondContact O-CB 3.34Å; H218-L222 PolarHBondContact O-N 2.88Å
219	G	95.6	Very high	93.6	Very high	29 Å²	29	102.1 Å²	102.1	30%	0.299	52%	0.518	S	S	.	.	H	α-helix	trans	-59	-49.9	173.2	0	0	0	0	0	112	D215 R221 L222 D223	D215-G219 PolarHBondContact O-N 3.29Å; G219-R221 VanDerWaalsContact C-N 3.29Å; G219-R221 PolarHBondContact O-N 2.72Å; G219-L222 WeakPolarHBondContact O-CB 3.35Å; G219-L222 PolarHBondContact O-N 2.82Å; G219-D223 PolarHBondContact O-N 2.9Å
220	R	93.7	Very high	94	Very high	139 Å²	139	98.8 Å²	98.8	53%	0.525	50%	0.501	S	S	.	.	H	α-helix	trans	-57.6	-39.4	174.7	-81.6	-175.8	-95.5	-177.5	-16.7	113.2	V212 E216 Y217 A224	V212-R220 VanDerWaalsContact CG2-NH2 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.41Å; E216-R220 PolarHBondContact O-N 3.25Å; E216-R220 PolarHBondContact O-NE 2.88Å; E216-R220 IonicContact OE2-NH2 2.76Å; Y217-R220 PolarHBondContact O-N 3.43Å; R220-A224 WeakPolarHBondContact O-CB 3.45Å; R220-A224 PolarHBondContact O-N 3.41Å
221	R	95.8	Very high	94.4	Very high	142 Å²	142	96 Å²	96	54%	0.536	49%	0.485	S	S	.	.	H	α-helix	trans	-66.9	-41.2	174.9	-77.6	-172.8	67.3	-174.5	0.7	111.8	Y217 H218 G219 A224 V225	Y217-R221 HydrophobicContact CE1-CG 4.3Å; Y217-R221 PolarHBondContact O-N 3.19Å; H218-R221 PolarHBondContact O-N 3.23Å; G219-R221 VanDerWaalsContact C-N 3.29Å; G219-R221 PolarHBondContact O-N 2.72Å; R221-A224 PolarHBondContact O-N 3.42Å; R221-V225 WeakPolarHBondContact O-CB 3.49Å; R221-V225 WeakPolarHBondContact O-CG2 3.11Å; R221-V225 PolarHBondContact O-N 3.11Å
222	L	95.4	Very high	94.8	Very high	105 Å²	105	90.4 Å²	90.4	55%	0.55	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-46.6	179	-177.1	64.3	0	0	0	110.9	H218 G219 A224 V225 I226	H218-L222 WeakPolarHBondContact O-CB 3.34Å; H218-L222 PolarHBondContact O-N 2.88Å; G219-L222 WeakPolarHBondContact O-CB 3.35Å; G219-L222 PolarHBondContact O-N 2.82Å; L222-A224 VanDerWaalsContact C-N 3.35Å; L222-A224 PolarHBondContact O-N 2.93Å; L222-V225 PolarHBondContact O-N 2.85Å; L222-V225 VanDerWaalsContact O-N 3.15Å; L222-I226 HydrophobicContact CD1-CD1 4.32Å; L222-I226 HydrophobicContact CD1-CG1 4.48Å; L222-I226 HydrophobicContact CG-CD1 3.98Å; L222-I226 WeakPolarHBondContact O-CG1 3.33Å; L222-I226 PolarHBondContact O-N 3.46Å
223	D	95.7	Very high	95.2	Very high	108 Å²	108	95.8 Å²	95.8	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-60.1	-44.6	177.6	-66.4	-24.3	0	0	0	111.7	G219 V225 I226 C227	G219-D223 PolarHBondContact O-N 2.9Å; D223-V225 PolarHBondContact O-N 3.48Å; D223-I226 PolarHBondContact O-N 2.84Å; D223-C227 WeakPolarHBondContact O-CB 3.39Å; D223-C227 PolarHBondContact O-N 3.27Å
224	A	96.2	Very high	95.4	Very high	52 Å²	52	100.7 Å²	100.7	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-39.9	175.4	0	0	0	0	0	112.2	R220 R221 L222 C227 L228	R220-A224 WeakPolarHBondContact O-CB 3.45Å; R220-A224 PolarHBondContact O-N 3.41Å; R221-A224 PolarHBondContact O-N 3.42Å; L222-A224 VanDerWaalsContact C-N 3.35Å; L222-A224 PolarHBondContact O-N 2.93Å; A224-C227 WeakPolarHBondContact O-CB 3.22Å; A224-C227 PolarHBondContact O-N 3.4Å; A224-L228 WeakPolarHBondContact O-CG 3.48Å; A224-L228 PolarHBondContact O-N 3.39Å
225	V	96.7	Very high	95.6	Very high	60 Å²	60	104.9 Å²	104.9	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-44.2	176.7	167.8	0	0	0	0	111	R221 L222 D223 C227 L228 Q229	R221-V225 WeakPolarHBondContact O-CB 3.49Å; R221-V225 WeakPolarHBondContact O-CG2 3.11Å; R221-V225 PolarHBondContact O-N 3.11Å; L222-V225 PolarHBondContact O-N 2.85Å; L222-V225 VanDerWaalsContact O-N 3.15Å; D223-V225 PolarHBondContact O-N 3.48Å; V225-C227 VanDerWaalsContact C-N 3.29Å; V225-C227 PolarHBondContact O-N 3.15Å; V225-L228 PolarHBondContact O-N 2.99Å; V225-Q229 HydrophobicContact CG1-CG 4.19Å; V225-Q229 WeakPolarHBondContact O-CB 3.25Å; V225-Q229 VanDerWaalsContact O-CG 3.25Å; V225-Q229 WeakPolarHBondContact O-CG 3.37Å; V225-Q229 PolarHBondContact O-N 3.05Å
226	I	96.5	Very high	95.8	Very high	89 Å²	89	102.8 Å²	102.8	46%	0.456	49%	0.49	S	S	.	.	H	α-helix	trans	-60	-43.4	176.5	-68.8	166.8	0	0	0	110	L222 D223 Q229 S230	L222-I226 HydrophobicContact CD1-CD1 4.32Å; L222-I226 HydrophobicContact CD1-CG1 4.48Å; L222-I226 HydrophobicContact CG-CD1 3.98Å; L222-I226 WeakPolarHBondContact O-CG1 3.33Å; L222-I226 PolarHBondContact O-N 3.46Å; D223-I226 PolarHBondContact O-N 2.84Å; I226-Q229 PolarHBondContact O-N 3.43Å; I226-S230 PolarHBondContact O-N 2.89Å
227	C	96.6	Very high	96	Very high	58 Å²	58	100.2 Å²	100.2	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-60.1	-50.2	176	-171.7	0	0	0	0	111.5	D223 A224 V225 Q229 S230 Y231	D223-C227 WeakPolarHBondContact O-CB 3.39Å; D223-C227 PolarHBondContact O-N 3.27Å; A224-C227 WeakPolarHBondContact O-CB 3.22Å; A224-C227 PolarHBondContact O-N 3.4Å; V225-C227 VanDerWaalsContact C-N 3.29Å; V225-C227 PolarHBondContact O-N 3.15Å; C227-Q229 PolarHBondContact O-N 3.44Å; C227-S230 WeakPolarHBondContact O-CB 3.41Å; C227-S230 PolarHBondContact O-N 3.18Å; C227-S230 VanDerWaalsContact O-N 3.16Å; C227-S230 PolarHBondContact O-OG 3.35Å; C227-Y231 VanDerWaalsContact O-CD2 3.22Å; C227-Y231 WeakPolarHBondContact O-CD2 3.47Å; C227-Y231 PolarHBondContact O-N 3.16Å; C227-Y231 VanDerWaalsContact SG-CE2 3.5Å
228	L	96.8	Very high	96.2	Very high	114 Å²	114	99.2 Å²	99.2	60%	0.597	49%	0.486	S	S	*	.	H	α-helix	trans	-60.4	-44.3	176.6	-72.4	171.8	0	0	0	112.2	A224 V225 S230 Y231 V232	A224-L228 WeakPolarHBondContact O-CG 3.48Å; A224-L228 PolarHBondContact O-N 3.39Å; V225-L228 PolarHBondContact O-N 2.99Å; L228-S230 VanDerWaalsContact C-N 3.27Å; L228-S230 PolarHBondContact O-N 2.65Å; L228-Y231 PolarHBondContact O-N 2.94Å; L228-V232 WeakPolarHBondContact O-CG2 3.38Å; L228-V232 PolarHBondContact O-N 2.91Å
229	Q	95.4	Very high	96.3	Very high	91 Å²	91	97.8 Å²	97.8	43%	0.425	48%	0.48	S	S	.	.	H	α-helix	trans	-59.9	-37.8	176.4	-75.2	177.9	-9.5	0	0	111.8	V225 I226 C227 V232 R233	V225-Q229 HydrophobicContact CG1-CG 4.19Å; V225-Q229 WeakPolarHBondContact O-CB 3.25Å; V225-Q229 VanDerWaalsContact O-CG 3.25Å; V225-Q229 WeakPolarHBondContact O-CG 3.37Å; V225-Q229 PolarHBondContact O-N 3.05Å; I226-Q229 PolarHBondContact O-N 3.43Å; C227-Q229 PolarHBondContact O-N 3.44Å; Q229-V232 PolarHBondContact O-N 3.39Å; Q229-R233 WeakPolarHBondContact O-CB 3.34Å; Q229-R233 VanDerWaalsContact O-CG 3.26Å; Q229-R233 WeakPolarHBondContact O-CG 3.26Å; Q229-R233 PolarHBondContact O-N 3.18Å
230	S	96.3	Very high	96.3	Very high	60 Å²	60	102.3 Å²	102.3	42%	0.42	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-41.9	176.4	80.8	0	0	0	0	112	I226 C227 L228 R234	I226-S230 PolarHBondContact O-N 2.89Å; C227-S230 WeakPolarHBondContact O-CB 3.41Å; C227-S230 PolarHBondContact O-N 3.18Å; C227-S230 VanDerWaalsContact O-N 3.16Å; C227-S230 PolarHBondContact O-OG 3.35Å; L228-S230 VanDerWaalsContact C-N 3.27Å; L228-S230 PolarHBondContact O-N 2.65Å; S230-R234 WeakPolarHBondContact O-CB 3.41Å; S230-R234 PolarHBondContact O-N 2.84Å
231	Y	96.9	Very high	96.5	Very high	141 Å²	141	99 Å²	99	55%	0.553	49%	0.488	S	S	*	.	H	α-helix	trans	-68.1	-41.4	175.5	-72.9	-62.8	0	0	0	112.4	C227 L228 R234 W235	C227-Y231 VanDerWaalsContact O-CD2 3.22Å; C227-Y231 WeakPolarHBondContact O-CD2 3.47Å; C227-Y231 PolarHBondContact O-N 3.16Å; C227-Y231 VanDerWaalsContact SG-CE2 3.5Å; L228-Y231 PolarHBondContact O-N 2.94Å; Y231-R234 PolarHBondContact O-N 2.89Å; Y231-W235 WeakPolarHBondContact O-CB 3.37Å; Y231-W235 PolarHBondContact O-N 3.3Å
232	V	97.2	Very high	96.5	Very high	75 Å²	75	96 Å²	96	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-64.1	-44.6	177.4	172.3	0	0	0	0	110.9	L228 Q229 R234 W235 L236	L228-V232 WeakPolarHBondContact O-CG2 3.38Å; L228-V232 PolarHBondContact O-N 2.91Å; Q229-V232 PolarHBondContact O-N 3.39Å; V232-R234 VanDerWaalsContact C-N 3.32Å; V232-R234 PolarHBondContact O-N 3.21Å; V232-W235 PolarHBondContact O-N 3.06Å; V232-L236 HydrophobicContact CG1-CD1 3.99Å; V232-L236 HydrophobicContact CG1-CG 4.35Å; V232-L236 WeakPolarHBondContact O-CG 3.44Å; V232-L236 PolarHBondContact O-N 2.87Å
233	R	96.8	Very high	96.6	Very high	168 Å²	168	95.2 Å²	95.2	63%	0.634	47%	0.474	S	S	*	.	H	α-helix	trans	-59.2	-43.5	175	-74	175.5	-173.1	147.8	4.7	111.6	Q229 A237	Q229-R233 WeakPolarHBondContact O-CB 3.34Å; Q229-R233 VanDerWaalsContact O-CG 3.26Å; Q229-R233 WeakPolarHBondContact O-CG 3.26Å; Q229-R233 PolarHBondContact O-N 3.18Å; R233-A237 WeakPolarHBondContact O-CB 3.3Å; R233-A237 PolarHBondContact O-N 3.16Å
234	R	97.1	Very high	96.6	Very high	157 Å²	157	94.8 Å²	94.8	59%	0.592	47%	0.471	S	S	*	.	H	α-helix	trans	-61.8	-45.6	175	179.1	-180	177.2	171.6	2.1	111.9	S230 Y231 V232 A237 Q238	S230-R234 WeakPolarHBondContact O-CB 3.41Å; S230-R234 PolarHBondContact O-N 2.84Å; Y231-R234 PolarHBondContact O-N 2.89Å; V232-R234 VanDerWaalsContact C-N 3.32Å; V232-R234 PolarHBondContact O-N 3.21Å; R234-A237 PolarHBondContact O-N 3.42Å; R234-Q238 WeakPolarHBondContact O-CB 3.47Å; R234-Q238 VanDerWaalsContact O-CG 3.3Å; R234-Q238 WeakPolarHBondContact O-CG 3.45Å; R234-Q238 PolarHBondContact O-N 2.94Å
235	W	96.7	Very high	96.6	Very high	145 Å²	145	99.6 Å²	99.6	55%	0.549	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-45.8	-179.8	173.3	73.9	0	0	0	111.8	Y231 V232 A237 Q238 E239	Y231-W235 WeakPolarHBondContact O-CB 3.37Å; Y231-W235 PolarHBondContact O-N 3.3Å; V232-W235 PolarHBondContact O-N 3.06Å; W235-A237 PolarHBondContact O-N 3.24Å; W235-Q238 WeakPolarHBondContact O-CB 3.5Å; W235-Q238 PolarHBondContact O-N 3.43Å; W235-Q238 VanDerWaalsContact O-N 3.16Å; W235-E239 WeakPolarHBondContact CH2-OE2 3.48Å; W235-E239 PolarHBondContact O-N 2.95Å
236	L	97.3	Very high	96.6	Very high	89 Å²	89	102.3 Å²	102.3	47%	0.466	48%	0.482	S	S	.	.	H	α-helix	trans	-58.9	-45.5	175.1	-72.4	171.4	0	0	0	111.7	V232 Q238 E239 E240	V232-L236 HydrophobicContact CG1-CD1 3.99Å; V232-L236 HydrophobicContact CG1-CG 4.35Å; V232-L236 WeakPolarHBondContact O-CG 3.44Å; V232-L236 PolarHBondContact O-N 2.87Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-Q238 PolarHBondContact O-N 3.44Å; L236-E239 PolarHBondContact O-N 3.07Å; L236-E240 PolarHBondContact O-N 3.25Å
237	A	96.7	Very high	96.5	Very high	50 Å²	50	101.6 Å²	101.6	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-37.7	176.5	0	0	0	0	0	112.4	R233 R234 W235 V241	R233-A237 WeakPolarHBondContact O-CB 3.3Å; R233-A237 PolarHBondContact O-N 3.16Å; R234-A237 PolarHBondContact O-N 3.42Å; W235-A237 PolarHBondContact O-N 3.24Å; A237-V241 WeakPolarHBondContact O-CB 3.45Å; A237-V241 VanDerWaalsContact O-CG2 3.26Å; A237-V241 WeakPolarHBondContact O-CG2 3.38Å; A237-V241 PolarHBondContact O-N 3Å
238	Q	96.4	Very high	96.4	Very high	104 Å²	104	107.4 Å²	107.4	49%	0.486	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-40.8	174.5	-75.1	175.9	-24	0	0	111.9	R234 W235 L236 V241 E242	R234-Q238 WeakPolarHBondContact O-CB 3.47Å; R234-Q238 VanDerWaalsContact O-CG 3.3Å; R234-Q238 WeakPolarHBondContact O-CG 3.45Å; R234-Q238 PolarHBondContact O-N 2.94Å; W235-Q238 WeakPolarHBondContact O-CB 3.5Å; W235-Q238 PolarHBondContact O-N 3.43Å; W235-Q238 VanDerWaalsContact O-N 3.16Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-Q238 PolarHBondContact O-N 3.44Å; Q238-V241 PolarHBondContact O-N 3.4Å; Q238-E242 WeakPolarHBondContact O-CB 3.49Å; Q238-E242 PolarHBondContact O-N 3.47Å
239	E	96.9	Very high	96.4	Very high	77 Å²	77	104.7 Å²	104.7	36%	0.36	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-43.8	176.6	-172.8	176	-166	0	0	111.6	W235 L236 E242 Q243	W235-E239 WeakPolarHBondContact CH2-OE2 3.48Å; W235-E239 PolarHBondContact O-N 2.95Å; L236-E239 PolarHBondContact O-N 3.07Å; E239-E242 PolarHBondContact O-N 2.96Å; E239-Q243 WeakPolarHBondContact O-CG 3.41Å; E239-Q243 PolarHBondContact O-N 3.18Å
240	E	96.3	Very high	96.3	Very high	125 Å²	125	108 Å²	108	58%	0.584	49%	0.493	S	S	*	.	H	α-helix	trans	-62.1	-46.5	176.4	-172.6	175.3	-170.6	0	0	111.6	L236 E242 Q243 L244	L236-E240 PolarHBondContact O-N 3.25Å; E240-E242 VanDerWaalsContact C-N 3.26Å; E240-E242 PolarHBondContact O-N 3.33Å; E240-Q243 WeakPolarHBondContact O-CB 3.47Å; E240-Q243 PolarHBondContact O-N 2.88Å; E240-L244 WeakPolarHBondContact O-CG 3.43Å; E240-L244 PolarHBondContact O-N 3.37Å
241	V	97.4	Very high	96	Very high	69 Å²	69	113.1 Å²	113.1	42%	0.418	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-39	174.5	169.7	0	0	0	0	111.3	A237 Q238 L244 R245	A237-V241 WeakPolarHBondContact O-CB 3.45Å; A237-V241 VanDerWaalsContact O-CG2 3.26Å; A237-V241 WeakPolarHBondContact O-CG2 3.38Å; A237-V241 PolarHBondContact O-N 3Å; Q238-V241 PolarHBondContact O-N 3.4Å; V241-L244 PolarHBondContact O-N 3.02Å; V241-R245 VanDerWaalsContact O-CG 3.32Å; V241-R245 WeakPolarHBondContact O-CG 3.32Å; V241-R245 PolarHBondContact O-N 3.03Å
242	E	96.2	Very high	95.9	Very high	80 Å²	80	110.5 Å²	110.5	37%	0.374	50%	0.498	S	S	.	.	H	α-helix	trans	-70.7	-34.2	178.5	-164.5	55.2	-141	0	0	112.3	Q238 E239 E240 R245 R246	Q238-E242 WeakPolarHBondContact O-CB 3.49Å; Q238-E242 PolarHBondContact O-N 3.47Å; E239-E242 PolarHBondContact O-N 2.96Å; E240-E242 VanDerWaalsContact C-N 3.26Å; E240-E242 PolarHBondContact O-N 3.33Å; E242-R245 PolarHBondContact O-N 3.2Å; E242-R245 WeakPolarHBondContact OE2-CD 3.42Å; E242-R245 IonicContact OE2-NH1 3.26Å; E242-R245 PolarHBondContact OE2-NH1 3.47Å; E242-R246 WeakPolarHBondContact O-CG 3.41Å; E242-R246 PolarHBondContact O-N 3.48Å; E242-R246 PolarHBondContact O-NE 3.36Å
243	Q	96.2	Very high	95.7	Very high	88 Å²	88	109.5 Å²	109.5	41%	0.411	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-47	169.8	-72.1	-174.7	7.4	0	0	111.2	E239 E240 R245 R246 E247	E239-Q243 WeakPolarHBondContact O-CG 3.41Å; E239-Q243 PolarHBondContact O-N 3.18Å; E240-Q243 WeakPolarHBondContact O-CB 3.47Å; E240-Q243 PolarHBondContact O-N 2.88Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.93Å; Q243-R246 WeakPolarHBondContact O-CB 3.29Å; Q243-R246 PolarHBondContact O-N 3.49Å; Q243-R246 VanDerWaalsContact O-N 3.17Å; Q243-E247 PolarHBondContact O-N 2.88Å
244	L	96.6	Very high	95.3	Very high	98 Å²	98	108.2 Å²	108.2	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-38.3	176.9	-69.2	173.7	0	0	0	112.3	E240 V241 E247 R248	E240-L244 WeakPolarHBondContact O-CG 3.43Å; E240-L244 PolarHBondContact O-N 3.37Å; V241-L244 PolarHBondContact O-N 3.02Å; L244-E247 PolarHBondContact O-N 3.17Å; L244-R248 WeakPolarHBondContact O-CB 3.26Å; L244-R248 PolarHBondContact O-N 3.32Å
245	R	96.7	Very high	94.6	Very high	154 Å²	154	106.5 Å²	106.5	58%	0.581	49%	0.49	S	S	*	.	H	α-helix	trans	-62.5	-45.1	172.8	-76.4	172.2	178.9	178.5	-1.9	111.8	V241 E242 Q243 E247 R248 A249	V241-R245 VanDerWaalsContact O-CG 3.32Å; V241-R245 WeakPolarHBondContact O-CG 3.32Å; V241-R245 PolarHBondContact O-N 3.03Å; E242-R245 PolarHBondContact O-N 3.2Å; E242-R245 WeakPolarHBondContact OE2-CD 3.42Å; E242-R245 IonicContact OE2-NH1 3.26Å; E242-R245 PolarHBondContact OE2-NH1 3.47Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.93Å; R245-E247 VanDerWaalsContact C-N 3.33Å; R245-E247 PolarHBondContact O-N 3.24Å; R245-R248 PolarHBondContact O-N 2.85Å; R245-A249 WeakPolarHBondContact O-CB 3.36Å; R245-A249 PolarHBondContact O-N 3.33Å
246	R	96	Very high	94.3	Very high	117 Å²	117	103.8 Å²	103.8	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-62.1	-39.1	175.3	-78.7	178.8	-90.7	134.2	-8.8	111.9	E242 Q243 R250	E242-R246 WeakPolarHBondContact O-CG 3.41Å; E242-R246 PolarHBondContact O-N 3.48Å; E242-R246 PolarHBondContact O-NE 3.36Å; Q243-R246 WeakPolarHBondContact O-CB 3.29Å; Q243-R246 PolarHBondContact O-N 3.49Å; Q243-R246 VanDerWaalsContact O-N 3.17Å; R246-R250 WeakPolarHBondContact O-CB 3.32Å; R246-R250 VanDerWaalsContact O-CG 3.29Å; R246-R250 WeakPolarHBondContact O-CG 3.37Å; R246-R250 PolarHBondContact O-N 2.95Å; R246-R250 PolarHBondContact O-NE 2.98Å
247	E	93.6	Very high	93.9	Very high	73 Å²	73	102.6 Å²	102.6	34%	0.341	48%	0.48	S	S	.	.	H	α-helix	trans	-65.6	-46.1	173.9	-77	-178.8	-174.2	0	0	112.7	Q243 L244 R245 A249 R250 R251	Q243-E247 PolarHBondContact O-N 2.88Å; L244-E247 PolarHBondContact O-N 3.17Å; R245-E247 VanDerWaalsContact C-N 3.33Å; R245-E247 PolarHBondContact O-N 3.24Å; E247-A249 VanDerWaalsContact C-N 3.35Å; E247-A249 PolarHBondContact O-N 3.41Å; E247-R250 PolarHBondContact O-N 2.88Å; E247-R250 IonicContact OE1-NH2 3.24Å; E247-R251 WeakPolarHBondContact O-CG 3.48Å; E247-R251 PolarHBondContact O-N 3.48Å
248	R	96	Very high	93.1	Very high	180 Å²	180	104 Å²	104	68%	0.679	48%	0.478	S	S	*	.	H	α-helix	trans	-58.8	-46.7	174.7	-177.1	-178.4	177.1	-162.6	-1.1	111.1	L244 R245 R250 R251 L252	L244-R248 WeakPolarHBondContact O-CB 3.26Å; L244-R248 PolarHBondContact O-N 3.32Å; R245-R248 PolarHBondContact O-N 2.85Å; R248-R250 PolarHBondContact O-N 3.24Å; R248-R251 PolarHBondContact O-N 3.27Å; R248-L252 HydrophobicContact CG-CD1 4.07Å; R248-L252 HydrophobicContact CG-CG 4.46Å; R248-L252 WeakPolarHBondContact O-CG 3.41Å; R248-L252 PolarHBondContact O-N 2.86Å
249	A	95.9	Very high	92.5	Very high	57 Å²	57	103.9 Å²	103.9	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-42.6	177.7	0	0	0	0	0	111.8	R245 E247 L252 A253	R245-A249 WeakPolarHBondContact O-CB 3.36Å; R245-A249 PolarHBondContact O-N 3.33Å; E247-A249 VanDerWaalsContact C-N 3.35Å; E247-A249 PolarHBondContact O-N 3.41Å; A249-L252 PolarHBondContact O-N 2.89Å; A249-A253 WeakPolarHBondContact O-CB 3.34Å; A249-A253 PolarHBondContact O-N 2.87Å
250	R	93.1	Very high	92	Very high	162 Å²	162	106.2 Å²	106.2	61%	0.611	48%	0.483	S	S	*	.	H	α-helix	trans	-60.2	-44.5	173.6	-78.3	-174.8	-72	170	-3.2	112.1	R246 E247 R248 W254	R246-R250 WeakPolarHBondContact O-CB 3.32Å; R246-R250 VanDerWaalsContact O-CG 3.29Å; R246-R250 WeakPolarHBondContact O-CG 3.37Å; R246-R250 PolarHBondContact O-N 2.95Å; R246-R250 PolarHBondContact O-NE 2.98Å; E247-R250 PolarHBondContact O-N 2.88Å; E247-R250 IonicContact OE1-NH2 3.24Å; R248-R250 PolarHBondContact O-N 3.24Å; R250-W254 WeakPolarHBondContact O-CB 3.41Å; R250-W254 PolarHBondContact O-N 2.9Å
251	R	90.3	Very high	91.4	Very high	167 Å²	167	104.7 Å²	104.7	63%	0.63	47%	0.474	S	S	*	.	H	α-helix	trans	-64.5	-45.5	177.8	-71.9	-177.3	-167.1	-179.8	6.7	111.7	E247 R248 W254 F255	E247-R251 WeakPolarHBondContact O-CG 3.48Å; E247-R251 PolarHBondContact O-N 3.48Å; R248-R251 PolarHBondContact O-N 3.27Å; R251-W254 WeakPolarHBondContact O-CB 3.43Å; R251-W254 PolarHBondContact O-N 2.91Å; R251-F255 HydrophobicContact CB-CE2 4.47Å; R251-F255 WeakPolarHBondContact O-CD2 3.36Å; R251-F255 PolarHBondContact O-N 2.89Å
252	L	94.1	Very high	90.5	Very high	85 Å²	85	102.6 Å²	102.6	45%	0.445	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-47.8	176.6	-70.8	172.4	0	0	0	111.5	R248 A249 W254 F255 D256	R248-L252 HydrophobicContact CG-CD1 4.07Å; R248-L252 HydrophobicContact CG-CG 4.46Å; R248-L252 WeakPolarHBondContact O-CG 3.41Å; R248-L252 PolarHBondContact O-N 2.86Å; A249-L252 PolarHBondContact O-N 2.89Å; L252-W254 PolarHBondContact O-N 3.43Å; L252-F255 PolarHBondContact O-N 2.82Å; L252-F255 VanDerWaalsContact O-N 3.08Å; L252-D256 VanDerWaalsContact O-CG 3.32Å; L252-D256 PolarHBondContact O-N 3.48Å
253	A	94.3	Very high	89.9	Confident	54 Å²	54	103.7 Å²	103.7	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-60.7	-33.9	176.6	0	0	0	0	0	112.7	A249 L257	A249-A253 WeakPolarHBondContact O-CB 3.34Å; A249-A253 PolarHBondContact O-N 2.87Å; A253-L257 WeakPolarHBondContact O-CB 3.09Å; A253-L257 PolarHBondContact O-N 2.82Å
254	W	87.9	Confident	89.5	Confident	141 Å²	141	104.9 Å²	104.9	53%	0.534	47%	0.471	S	S	.	.	H	α-helix	trans	-66.8	-46.1	172.9	-179.1	91.2	0	0	0	111.7	R250 R251 L252 L257 Q258	R250-W254 WeakPolarHBondContact O-CB 3.41Å; R250-W254 PolarHBondContact O-N 2.9Å; R251-W254 WeakPolarHBondContact O-CB 3.43Å; R251-W254 PolarHBondContact O-N 2.91Å; L252-W254 PolarHBondContact O-N 3.43Å; W254-L257 PolarHBondContact O-N 3.25Å; W254-Q258 HydrophobicContact CD2-CG 4Å; W254-Q258 HydrophobicContact CE3-CG 4.17Å; W254-Q258 HydrophobicContact CH2-CG 3.97Å; W254-Q258 HydrophobicContact CZ2-CG 3.79Å; W254-Q258 HydrophobicContact CZ3-CG 4.16Å; W254-Q258 WeakPolarHBondContact O-CG 3.37Å; W254-Q258 PolarHBondContact O-N 3.47Å
255	F	82.8	Confident	88.8	Confident	122 Å²	122	105.2 Å²	105.2	54%	0.535	47%	0.47	S	S	.	.	H	α-helix	trans	-59.4	-46.9	175.1	-74.4	-62.2	0	0	0	111.7	R251 L252 L257 Q258 E259	R251-F255 HydrophobicContact CB-CE2 4.47Å; R251-F255 WeakPolarHBondContact O-CD2 3.36Å; R251-F255 PolarHBondContact O-N 2.89Å; L252-F255 PolarHBondContact O-N 2.82Å; L252-F255 VanDerWaalsContact O-N 3.08Å; F255-L257 VanDerWaalsContact C-N 3.27Å; F255-L257 PolarHBondContact O-N 3.05Å; F255-Q258 PolarHBondContact O-N 3.32Å; F255-Q258 VanDerWaalsContact O-N 3.15Å; F255-E259 PolarHBondContact O-N 2.89Å
256	D	89.8	Confident	88.1	Confident	88 Å²	88	101.9 Å²	101.9	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-60.8	-36.8	177.9	-65.4	-18.9	0	0	0	112	L252 R260	L252-D256 VanDerWaalsContact O-CG 3.32Å; L252-D256 PolarHBondContact O-N 3.48Å; D256-R260 WeakPolarHBondContact O-CB 3.23Å; D256-R260 WeakPolarHBondContact O-CG 3.43Å; D256-R260 PolarHBondContact O-N 2.96Å; D256-R260 VanDerWaalsContact O-N 3.07Å; D256-R260 PolarHBondContact O-NE 3.43Å
257	L	89.4	Confident	87.6	Confident	64 Å²	64	101.7 Å²	101.7	34%	0.335	46%	0.464	S	S	.	.	H	α-helix	trans	-69.3	-41.7	176	-177.8	65.8	0	0	0	111.8	A253 W254 F255 R260 K261	A253-L257 WeakPolarHBondContact O-CB 3.09Å; A253-L257 PolarHBondContact O-N 2.82Å; W254-L257 PolarHBondContact O-N 3.25Å; F255-L257 VanDerWaalsContact C-N 3.27Å; F255-L257 PolarHBondContact O-N 3.05Å; L257-R260 PolarHBondContact O-N 3.26Å; L257-K261 WeakPolarHBondContact O-CG 3.49Å; L257-K261 PolarHBondContact O-N 3.11Å
258	Q	79.8	Confident	87.3	Confident	78 Å²	78	100.1 Å²	100.1	36%	0.364	46%	0.464	S	S	.	.	H	α-helix	trans	-65	-42.8	176.4	-68.4	-60.3	-27.8	0	0	111.4	W254 F255 R260 K261 C262	W254-Q258 HydrophobicContact CD2-CG 4Å; W254-Q258 HydrophobicContact CE3-CG 4.17Å; W254-Q258 HydrophobicContact CH2-CG 3.97Å; W254-Q258 HydrophobicContact CZ2-CG 3.79Å; W254-Q258 HydrophobicContact CZ3-CG 4.16Å; W254-Q258 WeakPolarHBondContact O-CG 3.37Å; W254-Q258 PolarHBondContact O-N 3.47Å; F255-Q258 PolarHBondContact O-N 3.32Å; F255-Q258 VanDerWaalsContact O-N 3.15Å; Q258-R260 PolarHBondContact O-N 3.24Å; Q258-K261 PolarHBondContact O-N 3.05Å; Q258-C262 WeakPolarHBondContact O-CB 3.44Å; Q258-C262 PolarHBondContact O-N 2.95Å
259	E	83	Confident	86.6	Confident	102 Å²	102	94.8 Å²	94.8	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-43	177.2	-164.7	-169.9	165.7	0	0	111.3	F255 C262 K263	F255-E259 PolarHBondContact O-N 2.89Å; E259-C262 PolarHBondContact O-N 3.08Å; E259-K263 WeakPolarHBondContact O-CG 3.47Å; E259-K263 PolarHBondContact O-N 3.24Å; E259-K263 WeakPolarHBondContact OE1-CE 3.29Å; E259-K263 IonicContact OE1-NZ 3.38Å; E259-K263 PolarHBondContact OE1-NZ 3.05Å
260	R	86.7	Confident	86	Confident	126 Å²	126	96.1 Å²	96.1	48%	0.475	45%	0.445	S	S	.	.	H	α-helix	trans	-61.1	-46.9	174.2	-79.5	-177.2	-70.5	122.8	-8.2	112.4	D256 L257 Q258 C262 K263 E264	D256-R260 WeakPolarHBondContact O-CB 3.23Å; D256-R260 WeakPolarHBondContact O-CG 3.43Å; D256-R260 PolarHBondContact O-N 2.96Å; D256-R260 VanDerWaalsContact O-N 3.07Å; D256-R260 PolarHBondContact O-NE 3.43Å; L257-R260 PolarHBondContact O-N 3.26Å; Q258-R260 PolarHBondContact O-N 3.24Å; R260-C262 VanDerWaalsContact C-N 3.3Å; R260-C262 PolarHBondContact O-N 2.69Å; R260-K263 PolarHBondContact O-N 3.02Å; R260-E264 WeakPolarHBondContact O-CB 3.45Å; R260-E264 WeakPolarHBondContact O-CG 3.48Å; R260-E264 PolarHBondContact O-N 3.19Å
261	K	83	Confident	85.8	Confident	94 Å²	94	95.6 Å²	95.6	41%	0.409	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-44.7	175.8	-76.2	-179.5	177.7	-174.2	0	111.7	L257 Q258 K263 E264 E265	L257-K261 WeakPolarHBondContact O-CG 3.49Å; L257-K261 PolarHBondContact O-N 3.11Å; Q258-K261 PolarHBondContact O-N 3.05Å; K261-K263 PolarHBondContact O-N 3.46Å; K261-E264 PolarHBondContact O-N 3.12Å; K261-E265 WeakPolarHBondContact O-CB 3.45Å; K261-E265 WeakPolarHBondContact O-CG 3.35Å; K261-E265 PolarHBondContact O-N 3.37Å
262	C	78.9	Confident	85.5	Confident	24 Å²	24	91.8 Å²	91.8	16%	0.162	43%	0.433	C	S	.	.	H	α-helix	trans	-61.6	-43.9	176.8	178.4	0	0	0	0	112.1	Q258 E259 R260 E265 K266 E602	Q258-C262 WeakPolarHBondContact O-CB 3.44Å; Q258-C262 PolarHBondContact O-N 2.95Å; E259-C262 PolarHBondContact O-N 3.08Å; R260-C262 VanDerWaalsContact C-N 3.3Å; R260-C262 PolarHBondContact O-N 2.69Å; C262-E265 PolarHBondContact O-N 3.14Å; C262-K266 WeakPolarHBondContact O-CB 3.35Å; C262-K266 WeakPolarHBondContact O-CG 3.37Å; C262-K266 PolarHBondContact O-N 3.42Å; C262-K266 WeakPolarHBondContact SG-CE 3.45Å; C262-K266 PolarHBondContact SG-NZ 3.17Å; C262-E602 PolarHBondContact SG-OE1 3.35Å
263	K	83.2	Confident	84.9	Confident	104 Å²	104	91.9 Å²	91.9	45%	0.452	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-48.5	175	-73.5	174.2	-176.7	168	0	111.5	E259 R260 K261 E265 K266 E267	E259-K263 WeakPolarHBondContact O-CG 3.47Å; E259-K263 PolarHBondContact O-N 3.24Å; E259-K263 WeakPolarHBondContact OE1-CE 3.29Å; E259-K263 IonicContact OE1-NZ 3.38Å; E259-K263 PolarHBondContact OE1-NZ 3.05Å; R260-K263 PolarHBondContact O-N 3.02Å; K261-K263 PolarHBondContact O-N 3.46Å; K263-E265 VanDerWaalsContact C-N 3.34Å; K263-E265 PolarHBondContact O-N 3.03Å; K263-K266 PolarHBondContact O-N 2.82Å; K263-E267 WeakPolarHBondContact O-CB 3.34Å; K263-E267 WeakPolarHBondContact O-CG 2.85Å; K263-E267 PolarHBondContact O-N 2.98Å
264	E	88.2	Confident	84.5	Confident	112 Å²	112	96.1 Å²	96.1	52%	0.523	43%	0.432	S	S	.	.	H	α-helix	trans	-60.4	-41.4	178.1	-73.5	172.4	-169.8	0	0	112.1	R260 K261 E267 A268	R260-E264 WeakPolarHBondContact O-CB 3.45Å; R260-E264 WeakPolarHBondContact O-CG 3.48Å; R260-E264 PolarHBondContact O-N 3.19Å; K261-E264 PolarHBondContact O-N 3.12Å; E264-E267 PolarHBondContact O-N 3.17Å; E264-A268 VanDerWaalsContact O-CB 3.26Å; E264-A268 WeakPolarHBondContact O-CB 3.41Å; E264-A268 PolarHBondContact O-N 3.17Å
265	E	83.2	Confident	84.5	Confident	105 Å²	105	97.3 Å²	97.3	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-65.2	-43.4	175.3	-77.3	-176.5	-167	0	0	112.2	K261 C262 K263 A268 Q269	K261-E265 WeakPolarHBondContact O-CB 3.45Å; K261-E265 WeakPolarHBondContact O-CG 3.35Å; K261-E265 PolarHBondContact O-N 3.37Å; C262-E265 PolarHBondContact O-N 3.14Å; K263-E265 VanDerWaalsContact C-N 3.34Å; K263-E265 PolarHBondContact O-N 3.03Å; E265-A268 PolarHBondContact O-N 3.3Å; E265-Q269 WeakPolarHBondContact O-CB 3.3Å; E265-Q269 VanDerWaalsContact O-CG 3.25Å; E265-Q269 WeakPolarHBondContact O-CG 3.47Å; E265-Q269 PolarHBondContact O-N 3.07Å
266	K	81.1	Confident	84.7	Confident	85 Å²	85	93.7 Å²	93.7	37%	0.37	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-44	175	-75.8	171.5	179	162.7	0	110.9	C262 K263 Q269 L270 E602	C262-K266 WeakPolarHBondContact O-CB 3.35Å; C262-K266 WeakPolarHBondContact O-CG 3.37Å; C262-K266 PolarHBondContact O-N 3.42Å; C262-K266 WeakPolarHBondContact SG-CE 3.45Å; C262-K266 PolarHBondContact SG-NZ 3.17Å; K263-K266 PolarHBondContact O-N 2.82Å; K266-Q269 PolarHBondContact O-N 3.27Å; K266-L270 WeakPolarHBondContact O-CG 3.44Å; K266-L270 PolarHBondContact O-N 3.4Å; K266-E602 IonicContact NZ-OE1 3.96Å
267	E	86.4	Confident	84.4	Confident	112 Å²	112	95.1 Å²	95.1	52%	0.523	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-40.3	176.1	-74.4	178.8	-170.8	0	0	112.8	K263 E264 L270 R271	K263-E267 WeakPolarHBondContact O-CB 3.34Å; K263-E267 WeakPolarHBondContact O-CG 2.85Å; K263-E267 PolarHBondContact O-N 2.98Å; E264-E267 PolarHBondContact O-N 3.17Å; E267-L270 PolarHBondContact O-N 3.35Å; E267-R271 WeakPolarHBondContact O-CB 3.19Å; E267-R271 WeakPolarHBondContact O-CG 3.41Å; E267-R271 PolarHBondContact O-N 3.25Å
268	A	86.6	Confident	84.2	Confident	41 Å²	41	100.1 Å²	100.1	34%	0.339	44%	0.441	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.5	0	0	0	0	0	111.5	E264 E265 R271 E272	E264-A268 VanDerWaalsContact O-CB 3.26Å; E264-A268 WeakPolarHBondContact O-CB 3.41Å; E264-A268 PolarHBondContact O-N 3.17Å; E265-A268 PolarHBondContact O-N 3.3Å; A268-R271 PolarHBondContact O-N 2.98Å; A268-E272 PolarHBondContact O-N 3.46Å
269	Q	81.1	Confident	84.6	Confident	67 Å²	67	100.8 Å²	100.8	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-42.7	175.1	-72.1	169.2	34.5	0	0	112	E265 K266 E272 R273	E265-Q269 WeakPolarHBondContact O-CB 3.3Å; E265-Q269 VanDerWaalsContact O-CG 3.25Å; E265-Q269 WeakPolarHBondContact O-CG 3.47Å; E265-Q269 PolarHBondContact O-N 3.07Å; K266-Q269 PolarHBondContact O-N 3.27Å; Q269-E272 PolarHBondContact O-N 2.93Å; Q269-R273 WeakPolarHBondContact O-CB 3.36Å; Q269-R273 PolarHBondContact O-N 3.25Å
270	L	84.1	Confident	84.9	Confident	85 Å²	85	96.6 Å²	96.6	45%	0.445	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-40.7	174.7	-74.2	168.7	0	0	0	111.9	K266 E267 R273 R274	K266-L270 WeakPolarHBondContact O-CG 3.44Å; K266-L270 PolarHBondContact O-N 3.4Å; E267-L270 PolarHBondContact O-N 3.35Å; L270-R273 PolarHBondContact O-N 3.47Å; L270-R274 WeakPolarHBondContact O-CB 3.25Å; L270-R274 WeakPolarHBondContact O-CG 3.41Å; L270-R274 PolarHBondContact O-N 2.88Å
271	R	87.8	Confident	85	Confident	152 Å²	152	93 Å²	93	57%	0.574	42%	0.418	S	S	*	.	H	α-helix	trans	-62	-46.7	175	-78.5	-173.8	-69.8	170.3	-3.1	111.7	E267 A268 R274 R275	E267-R271 WeakPolarHBondContact O-CB 3.19Å; E267-R271 WeakPolarHBondContact O-CG 3.41Å; E267-R271 PolarHBondContact O-N 3.25Å; A268-R271 PolarHBondContact O-N 2.98Å; R271-R274 PolarHBondContact O-N 3.15Å; R271-R275 WeakPolarHBondContact O-CB 3.48Å; R271-R275 PolarHBondContact O-N 3.16Å
272	E	84.5	Confident	85.2	Confident	87 Å²	87	91.8 Å²	91.8	41%	0.407	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-39.4	178.3	-172.6	58.3	-153.9	0	0	111.2	A268 Q269 R274 R275 R276	A268-E272 PolarHBondContact O-N 3.46Å; Q269-E272 PolarHBondContact O-N 2.93Å; E272-R274 PolarHBondContact O-N 3.44Å; E272-R275 WeakPolarHBondContact O-CB 3.12Å; E272-R275 PolarHBondContact O-N 3.38Å; E272-R275 IonicContact OE1-NH1 2.69Å; E272-R275 IonicContact OE2-NH1 3.28Å; E272-R275 PolarHBondContact OE2-NH1 3.25Å; E272-R276 VanDerWaalsContact O-CG 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.44Å; E272-R276 PolarHBondContact O-N 3.02Å
273	R	81.7	Confident	85.4	Confident	86 Å²	86	95.5 Å²	95.5	33%	0.325	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-47.7	173.4	-172.6	-177.1	-64.7	178	8.8	111.5	Q269 L270 R275 R276 W277 L288 Y578	Q269-R273 WeakPolarHBondContact O-CB 3.36Å; Q269-R273 PolarHBondContact O-N 3.25Å; L270-R273 PolarHBondContact O-N 3.47Å; R273-R275 VanDerWaalsContact C-N 3.28Å; R273-R275 PolarHBondContact O-N 3.23Å; R273-R276 PolarHBondContact O-N 2.9Å; R273-W277 VanDerWaalsContact O-CD1 3.22Å; R273-W277 PolarHBondContact O-N 3.1Å; R273-L288 HydrophobicContact CG-CD2 4.38Å; R273-Y578 VanDerWaalsContact NH2-CD1 3.29Å; R273-Y578 VanDerWaalsContact NH2-CG 3.32Å
274	R	85.1	Confident	85.4	Confident	144 Å²	144	93.3 Å²	93.3	54%	0.543	42%	0.42	S	S	.	.	H	α-helix	trans	-58.3	-42.2	175.5	-77.4	-171.9	-70.3	-102.9	2.7	111.4	L270 R271 E272 W277 M278	L270-R274 WeakPolarHBondContact O-CB 3.25Å; L270-R274 WeakPolarHBondContact O-CG 3.41Å; L270-R274 PolarHBondContact O-N 2.88Å; R271-R274 PolarHBondContact O-N 3.15Å; E272-R274 PolarHBondContact O-N 3.44Å; R274-W277 WeakPolarHBondContact O-CB 3.31Å; R274-W277 PolarHBondContact O-N 3.39Å; R274-M278 VanDerWaalsContact O-CG 3.25Å; R274-M278 WeakPolarHBondContact O-CG 3.26Å; R274-M278 PolarHBondContact O-N 2.91Å
275	R	87.4	Confident	85.4	Confident	165 Å²	165	88.6 Å²	88.6	62%	0.623	40%	0.398	S	S	*	.	H	α-helix	trans	-61.2	-46.6	176.1	-176.1	-170.6	175.5	-157.6	1	112.2	R271 E272 R273 W277 M278 N279	R271-R275 WeakPolarHBondContact O-CB 3.48Å; R271-R275 PolarHBondContact O-N 3.16Å; E272-R275 WeakPolarHBondContact O-CB 3.12Å; E272-R275 PolarHBondContact O-N 3.38Å; E272-R275 IonicContact OE1-NH1 2.69Å; E272-R275 IonicContact OE2-NH1 3.28Å; E272-R275 PolarHBondContact OE2-NH1 3.25Å; R273-R275 VanDerWaalsContact C-N 3.28Å; R273-R275 PolarHBondContact O-N 3.23Å; R275-W277 VanDerWaalsContact C-N 3.26Å; R275-W277 PolarHBondContact O-N 3.07Å; R275-M278 PolarHBondContact O-N 3.36Å; R275-N279 PolarHBondContact O-N 2.88Å
276	R	88.3	Confident	85.7	Confident	47 Å²	47	84 Å²	84	18%	0.177	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-35.6	177.2	-69.2	176.5	69.8	-159	-5.5	112.1	E272 R273 N279 P280 D285	E272-R276 VanDerWaalsContact O-CG 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.44Å; E272-R276 PolarHBondContact O-N 3.02Å; R273-R276 PolarHBondContact O-N 2.9Å; R276-N279 CarbonylContact O-C 3.6Å; R276-P280 WeakPolarHBondContact O-CA 3.36Å; R276-D285 IonicContact CZ-OD1 2.63Å; R276-D285 IonicContact NE-OD1 2.85Å; R276-D285 PolarHBondContact NE-OD1 2.83Å; R276-D285 IonicContact NH2-OD1 2.85Å; R276-D285 PolarHBondContact NH2-OD1 3.28Å
277	W	83.1	Confident	85.9	Confident	118 Å²	118	81.1 Å²	81.1	45%	0.447	37%	0.365	S	S	.	.	H	α-helix	trans	-68.9	-47	173.7	-86.7	56.4	0	0	0	112.8	R273 R274 R275 N279 L288 L289 A292	R273-W277 VanDerWaalsContact O-CD1 3.22Å; R273-W277 PolarHBondContact O-N 3.1Å; R274-W277 WeakPolarHBondContact O-CB 3.31Å; R274-W277 PolarHBondContact O-N 3.39Å; R275-W277 VanDerWaalsContact C-N 3.26Å; R275-W277 PolarHBondContact O-N 3.07Å; W277-N279 VanDerWaalsContact C-N 3.33Å; W277-N279 PolarHBondContact O-N 3.35Å; W277-L288 VanDerWaalsContact NE1-CG 3.33Å; W277-L289 HydrophobicContact CD2-CD2 4.12Å; W277-L289 HydrophobicContact CE3-CD2 4.15Å; W277-L289 HydrophobicContact CG-CD2 4.33Å; W277-A292 HydrophobicContact CH2-CB 3.27Å; W277-A292 HydrophobicContact CZ2-CB 3.46Å; W277-A292 VanDerWaalsContact CZ2-CB 3.46Å; W277-A292 HydrophobicContact CZ3-CB 4.22Å
278	M	85.4	Confident	86	Confident	168 Å²	168	76.2 Å²	76.2	83%	0.828	34%	0.343	S	S	*	.	H	α-helix	trans	-70.2	-29.7	-176.9	-68	-62.4	-68	0	0	112.8	R274 R275	R274-M278 VanDerWaalsContact O-CG 3.25Å; R274-M278 WeakPolarHBondContact O-CG 3.26Å; R274-M278 PolarHBondContact O-N 2.91Å; R275-M278 PolarHBondContact O-N 3.36Å
279	N	87.7	Confident	86.1	Confident	92 Å²	92	75.8 Å²	75.8	49%	0.492	34%	0.335	S	S	.	.	S	Bend	trans	-142.6	79.4	-179.6	-173.9	6.7	0	0	0	110.7	R275 R276 W277 Q281	R275-N279 PolarHBondContact O-N 2.88Å; R276-N279 CarbonylContact O-C 3.6Å; W277-N279 VanDerWaalsContact C-N 3.33Å; W277-N279 PolarHBondContact O-N 3.35Å; N279-Q281 PolarHBondContact O-N 2.96Å; N279-Q281 PolarHBondContact OD1-NE2 2.57Å
280	P	90.4	Very high	86.6	Confident	14 Å²	14	73.4 Å²	73.4	9%	0.091	32%	0.323	C	S	.	.			trans	-67.2	123.9	177.5	29.6	-36.5	0	0	0	110	R276 D285 F286 L289 V338	R276-P280 WeakPolarHBondContact O-CA 3.36Å; P280-D285 HydrophobicContact CB-CB 3.66Å; P280-F286 HydrophobicContact CB-CD1 4.02Å; P280-F286 HydrophobicContact CB-CD2 4.4Å; P280-F286 HydrophobicContact CB-CE1 3.81Å; P280-F286 HydrophobicContact CB-CE2 4.18Å; P280-F286 HydrophobicContact CB-CG 4.32Å; P280-F286 HydrophobicContact CB-CZ 3.88Å; P280-F286 HydrophobicContact CG-CD1 4.14Å; P280-F286 HydrophobicContact CG-CE1 3.55Å; P280-F286 HydrophobicContact CG-CZ 3.8Å; P280-L289 HydrophobicContact CB-CD1 4.02Å; P280-L289 HydrophobicContact CG-CD1 3.79Å; P280-V338 WeakPolarHBondContact O-CG2 3.46Å
281	Q	87.4	Confident	86.8	Confident	52 Å²	52	72.9 Å²	72.9	24%	0.243	32%	0.318	C	S	.	.			trans	-114	-33.2	-179.1	-70.3	-82.1	-46.7	0	0	111.6	N279 D285 V338 N342	N279-Q281 PolarHBondContact O-N 2.96Å; N279-Q281 PolarHBondContact OD1-NE2 2.57Å; Q281-D285 PolarHBondContact N-OD2 3.13Å; Q281-V338 VanDerWaalsContact O-CG1 3.29Å; Q281-V338 WeakPolarHBondContact O-CG1 3.33Å; Q281-N342 PolarHBondContact O-ND2 3.49Å
282	T	86.6	Confident	86.8	Confident	68 Å²	68	66.7 Å²	66.7	42%	0.417	30%	0.299	S	S	.	.	S	Bend	trans	-106	160.2	-175.8	69.9	0	0	0	0	111.1	E284 D285 F286	T282-E284 PolarHBondContact O-N 2.91Å; T282-D285 PolarHBondContact N-OD2 2.58Å; T282-D285 WeakPolarHBondContact O-CB 3.35Å; T282-D285 PolarHBondContact O-N 3.29Å; T282-D285 PolarHBondContact OG1-N 3.2Å; T282-D285 PolarHBondContact OG1-OD1 2.85Å; T282-D285 PolarHBondContact OG1-OD2 2.93Å; T282-F286 WeakPolarHBondContact O-CD2 3.41Å; T282-F286 PolarHBondContact O-N 3.26Å
283	R	83.7	Confident	87.2	Confident	101 Å²	101	63.1 Å²	63.1	38%	0.381	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-32.3	173.8	-169.7	174.9	-179.7	118.8	0.2	112.3	D285 F286 N287 S514	R283-D285 VanDerWaalsContact C-N 3.32Å; R283-F286 PolarHBondContact O-N 3.5Å; R283-N287 VanDerWaalsContact O-CG 3.26Å; R283-N287 PolarHBondContact O-N 3.37Å; R283-N287 PolarHBondContact O-ND2 3.2Å; R283-N287 PolarHBondContact O-OD1 2.99Å; R283-S514 PolarHBondContact NE-OG 3.26Å; R283-S514 PolarHBondContact NH2-OG 3.49Å
284	E	84.3	Confident	87.7	Confident	59 Å²	59	60.3 Å²	60.3	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-35.6	175.2	-67.7	172.3	-154.3	0	0	111.8	T282 N287 L288 Q529 R533	T282-E284 PolarHBondContact O-N 2.91Å; E284-N287 PolarHBondContact O-N 3.49Å; E284-L288 PolarHBondContact O-N 2.82Å; E284-L288 VanDerWaalsContact O-N 3.16Å; E284-Q529 PolarHBondContact OE1-OE1 2.87Å; E284-Q529 VanDerWaalsContact OE1-OE1 3.09Å; E284-R533 IonicContact OE1-NH2 3.85Å; E284-R533 PolarHBondContact OE1-NH2 2.73Å; E284-R533 IonicContact OE2-NH2 3.33Å; E284-R533 PolarHBondContact OE2-NH2 2.81Å
285	D	87.9	Confident	88	Confident	12 Å²	12	59 Å²	59	6%	0.064	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-39.8	176.2	-52	-31.3	0	0	0	111.3	R276 P280 Q281 T282 R283 L288 L289	R276-D285 IonicContact CZ-OD1 2.63Å; R276-D285 IonicContact NE-OD1 2.85Å; R276-D285 PolarHBondContact NE-OD1 2.83Å; R276-D285 IonicContact NH2-OD1 2.85Å; R276-D285 PolarHBondContact NH2-OD1 3.28Å; P280-D285 HydrophobicContact CB-CB 3.66Å; Q281-D285 PolarHBondContact N-OD2 3.13Å; T282-D285 PolarHBondContact N-OD2 2.58Å; T282-D285 WeakPolarHBondContact O-CB 3.35Å; T282-D285 PolarHBondContact O-N 3.29Å; T282-D285 PolarHBondContact OG1-N 3.2Å; T282-D285 PolarHBondContact OG1-OD1 2.85Å; T282-D285 PolarHBondContact OG1-OD2 2.93Å; R283-D285 VanDerWaalsContact C-N 3.32Å; D285-L288 WeakPolarHBondContact O-CB 3.14Å; D285-L288 PolarHBondContact O-N 3Å; D285-L289 PolarHBondContact O-N 2.69Å
286	F	88.5	Confident	88.3	Confident	9 Å²	9	54 Å²	54	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-38.4	174.7	-71.9	-70.2	0	0	0	112.3	P280 T282 R283 L288 L289 Y290 I331 H334 Q335 V338	P280-F286 HydrophobicContact CB-CD1 4.02Å; P280-F286 HydrophobicContact CB-CD2 4.4Å; P280-F286 HydrophobicContact CB-CE1 3.81Å; P280-F286 HydrophobicContact CB-CE2 4.18Å; P280-F286 HydrophobicContact CB-CG 4.32Å; P280-F286 HydrophobicContact CB-CZ 3.88Å; P280-F286 HydrophobicContact CG-CD1 4.14Å; P280-F286 HydrophobicContact CG-CE1 3.55Å; P280-F286 HydrophobicContact CG-CZ 3.8Å; T282-F286 WeakPolarHBondContact O-CD2 3.41Å; T282-F286 PolarHBondContact O-N 3.26Å; R283-F286 PolarHBondContact O-N 3.5Å; F286-L288 PolarHBondContact O-N 3.09Å; F286-L289 HydrophobicContact CD1-CD1 4.31Å; F286-L289 WeakPolarHBondContact O-CB 3.45Å; F286-L289 PolarHBondContact O-N 2.92Å; F286-L289 VanDerWaalsContact O-N 3.12Å; F286-Y290 HydrophobicContact CB-CE2 4.47Å; F286-Y290 WeakPolarHBondContact O-CD2 3.4Å; F286-Y290 PolarHBondContact O-N 2.78Å; F286-I331 HydrophobicContact CD1-CG2 3.88Å; F286-I331 HydrophobicContact CE1-CG2 4.45Å; F286-H334 HydrophobicContact CE1-CB 4.21Å; F286-Q335 HydrophobicContact CD1-CB 4.41Å; F286-Q335 HydrophobicContact CD2-CG 4.43Å; F286-Q335 HydrophobicContact CE1-CB 4.02Å; F286-Q335 HydrophobicContact CE2-CB 4.39Å; F286-Q335 HydrophobicContact CE2-CG 4.28Å; F286-Q335 HydrophobicContact CZ-CB 4.02Å; F286-Q335 HydrophobicContact CZ-CG 4.41Å; F286-V338 HydrophobicContact CE2-CB 4.23Å; F286-V338 HydrophobicContact CE2-CG1 3.99Å; F286-V338 HydrophobicContact CZ-CB 4.04Å; F286-V338 HydrophobicContact CZ-CG1 4.27Å; F286-V338 HydrophobicContact CZ-CG2 4.04Å
287	N	86.9	Confident	88.6	Confident	24 Å²	24	54.9 Å²	54.9	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-37.4	173.4	-69.1	-18.8	0	0	0	111.8	R283 E284 L289 Y290 H291	R283-N287 VanDerWaalsContact O-CG 3.26Å; R283-N287 PolarHBondContact O-N 3.37Å; R283-N287 PolarHBondContact O-ND2 3.2Å; R283-N287 PolarHBondContact O-OD1 2.99Å; E284-N287 PolarHBondContact O-N 3.49Å; N287-L289 VanDerWaalsContact C-N 3.32Å; N287-L289 PolarHBondContact O-N 3.31Å; N287-Y290 PolarHBondContact O-N 3.28Å; N287-H291 WeakPolarHBondContact O-CB 3.45Å; N287-H291 PolarHBondContact O-N 3.33Å
288	L	86.8	Confident	89.1	Confident	10 Å²	10	52.3 Å²	52.3	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-38.1	175.5	179.3	64	0	0	0	112.1	R273 W277 E284 D285 F286 A292	R273-L288 HydrophobicContact CG-CD2 4.38Å; W277-L288 VanDerWaalsContact NE1-CG 3.33Å; E284-L288 PolarHBondContact O-N 2.82Å; E284-L288 VanDerWaalsContact O-N 3.16Å; D285-L288 WeakPolarHBondContact O-CB 3.14Å; D285-L288 PolarHBondContact O-N 3Å; F286-L288 PolarHBondContact O-N 3.09Å; L288-A292 WeakPolarHBondContact O-CB 3.49Å; L288-A292 PolarHBondContact O-N 3.13Å
289	L	89.8	Confident	89.5	Confident	31 Å²	31	49 Å²	49	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-43.8	174.1	-65.3	177.2	0	0	0	111.9	W277 P280 D285 F286 N287 H291 A292 L293 I331	W277-L289 HydrophobicContact CD2-CD2 4.12Å; W277-L289 HydrophobicContact CE3-CD2 4.15Å; W277-L289 HydrophobicContact CG-CD2 4.33Å; P280-L289 HydrophobicContact CB-CD1 4.02Å; P280-L289 HydrophobicContact CG-CD1 3.79Å; D285-L289 PolarHBondContact O-N 2.69Å; F286-L289 HydrophobicContact CD1-CD1 4.31Å; F286-L289 WeakPolarHBondContact O-CB 3.45Å; F286-L289 PolarHBondContact O-N 2.92Å; F286-L289 VanDerWaalsContact O-N 3.12Å; N287-L289 VanDerWaalsContact C-N 3.32Å; N287-L289 PolarHBondContact O-N 3.31Å; L289-H291 PolarHBondContact O-N 3.39Å; L289-A292 PolarHBondContact O-N 2.79Å; L289-L293 WeakPolarHBondContact O-CB 3.3Å; L289-L293 PolarHBondContact O-N 2.88Å; L289-I331 HydrophobicContact CB-CD1 4.29Å
290	Y	90.5	Very high	89.8	Confident	17 Å²	17	47.6 Å²	47.6	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-40.2	176.1	-75.9	-61.4	0	0	0	112.5	F286 N287 L293 E294 I331 V518	F286-Y290 HydrophobicContact CB-CE2 4.47Å; F286-Y290 WeakPolarHBondContact O-CD2 3.4Å; F286-Y290 PolarHBondContact O-N 2.78Å; N287-Y290 PolarHBondContact O-N 3.28Å; Y290-L293 PolarHBondContact O-N 3.42Å; Y290-E294 PolarHBondContact O-N 2.67Å; Y290-I331 HydrophobicContact CD1-CD1 4.16Å; Y290-I331 HydrophobicContact CE1-CB 4.37Å; Y290-I331 HydrophobicContact CE1-CD1 4.05Å; Y290-I331 HydrophobicContact CE1-CG2 3.99Å; Y290-I331 HydrophobicContact CE2-CG2 3.82Å; Y290-I331 VanDerWaalsContact CZ-CG2 3.49Å; Y290-I331 WeakPolarHBondContact OH-CG2 3.46Å; Y290-V518 HydrophobicContact CD1-CG1 4.33Å; Y290-V518 HydrophobicContact CD2-CG1 3.95Å; Y290-V518 HydrophobicContact CD2-CG2 4.24Å; Y290-V518 HydrophobicContact CE1-CG1 4.17Å; Y290-V518 HydrophobicContact CE2-CG1 3.77Å; Y290-V518 HydrophobicContact CE2-CG2 4.44Å; Y290-V518 HydrophobicContact CG-CG1 4.23Å
291	H	88.8	Confident	90	Very high	74 Å²	74	49.4 Å²	49.4	34%	0.343	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-42	174.8	177.8	-88.8	0	0	0	111.8	N287 L289 L293 E294 K295 R522 D524	N287-H291 WeakPolarHBondContact O-CB 3.45Å; N287-H291 PolarHBondContact O-N 3.33Å; L289-H291 PolarHBondContact O-N 3.39Å; H291-L293 VanDerWaalsContact C-N 3.34Å; H291-E294 PolarHBondContact O-N 3.45Å; H291-K295 PolarHBondContact O-N 3.18Å; H291-R522 VanDerWaalsContact CA-O 3.22Å; H291-R522 WeakPolarHBondContact CA-O 3.32Å; H291-R522 WeakPolarHBondContact CB-O 3.41Å; H291-R522 PolarHBondContact CD2-O 2.82Å; H291-D524 HydrophobicContact CB-CB 3.97Å
292	A	89.2	Confident	90.4	Very high	22 Å²	22	53.1 Å²	53.1	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-40.3	175.7	0	0	0	0	0	112.5	W277 L288 L289 E294 K295 W296	W277-A292 HydrophobicContact CH2-CB 3.27Å; W277-A292 HydrophobicContact CZ2-CB 3.46Å; W277-A292 VanDerWaalsContact CZ2-CB 3.46Å; W277-A292 HydrophobicContact CZ3-CB 4.22Å; L288-A292 WeakPolarHBondContact O-CB 3.49Å; L288-A292 PolarHBondContact O-N 3.13Å; L289-A292 PolarHBondContact O-N 2.79Å; A292-E294 VanDerWaalsContact C-N 3.35Å; A292-K295 PolarHBondContact O-N 3.44Å; A292-W296 WeakPolarHBondContact O-CB 3.46Å; A292-W296 PolarHBondContact O-N 2.93Å
293	L	91.9	Very high	90.7	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-41.4	174.4	-179.9	152.5	0	0	0	111.3	L289 Y290 H291 W296 R297 E324 F327 I328 I331	L289-L293 WeakPolarHBondContact O-CB 3.3Å; L289-L293 PolarHBondContact O-N 2.88Å; Y290-L293 PolarHBondContact O-N 3.42Å; H291-L293 VanDerWaalsContact C-N 3.34Å; L293-W296 PolarHBondContact O-N 3.39Å; L293-R297 VanDerWaalsContact O-CB 3.28Å; L293-R297 WeakPolarHBondContact O-CB 3.34Å; L293-R297 PolarHBondContact O-N 2.95Å; L293-E324 HydrophobicContact CD2-CG 3.86Å; L293-F327 HydrophobicContact CD1-CB 3.48Å; L293-F327 VanDerWaalsContact CD1-CB 3.48Å; L293-F327 HydrophobicContact CD1-CG 4.43Å; L293-I328 HydrophobicContact CD1-CG1 4.15Å; L293-I331 HydrophobicContact CD1-CD1 3.97Å
294	E	91.6	Very high	91.2	Very high	27 Å²	27	51.5 Å²	51.5	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-41.2	175.7	-168	58.3	-151.5	0	0	111.9	Y290 H291 A292 R297 N298 R522	Y290-E294 PolarHBondContact O-N 2.67Å; H291-E294 PolarHBondContact O-N 3.45Å; A292-E294 VanDerWaalsContact C-N 3.35Å; E294-R297 PolarHBondContact O-N 3.22Å; E294-R297 IonicContact OE1-NH1 3.24Å; E294-R297 PolarHBondContact OE1-NH1 3.49Å; E294-N298 WeakPolarHBondContact O-CB 3.44Å; E294-N298 VanDerWaalsContact O-CG 3.25Å; E294-N298 PolarHBondContact O-N 3.36Å; E294-N298 PolarHBondContact O-ND2 2.84Å; E294-N298 VanDerWaalsContact O-ND2 3.12Å; E294-R522 HydrophobicContact CB-CB 3.98Å; E294-R522 HydrophobicContact CG-CB 4.36Å; E294-R522 WeakPolarHBondContact OE2-CD 3.17Å; E294-R522 IonicContact OE2-CZ 2.86Å; E294-R522 IonicContact OE2-NE 2.94Å; E294-R522 IonicContact OE2-NH1 2.9Å; E294-R522 PolarHBondContact OE2-NH1 3.43Å
295	K	91.3	Very high	91.6	Very high	117 Å²	117	51.5 Å²	51.5	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-47.7	175.7	-175.9	178.3	169.5	-177.7	0	111.5	H291 A292 N298 E299	H291-K295 PolarHBondContact O-N 3.18Å; A292-K295 PolarHBondContact O-N 3.44Å; K295-N298 PolarHBondContact O-N 2.99Å; K295-E299 WeakPolarHBondContact CE-OE1 3.35Å; K295-E299 IonicContact NZ-OE1 2.74Å; K295-E299 WeakPolarHBondContact O-CG 3.31Å; K295-E299 PolarHBondContact O-N 3.15Å
296	W	94.1	Very high	91.9	Very high	59 Å²	59	56.2 Å²	56.2	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-46.3	175.7	166.9	72.6	0	0	0	111.5	A292 L293 N298 E299 E300 L320 Q323 F327	A292-W296 WeakPolarHBondContact O-CB 3.46Å; A292-W296 PolarHBondContact O-N 2.93Å; L293-W296 PolarHBondContact O-N 3.39Å; W296-N298 VanDerWaalsContact C-N 3.31Å; W296-N298 PolarHBondContact O-N 3.34Å; W296-E299 PolarHBondContact O-N 2.96Å; W296-E300 HydrophobicContact CD2-CG 4.3Å; W296-E300 HydrophobicContact CG-CG 4.44Å; W296-E300 HydrophobicContact CZ2-CG 4Å; W296-E300 VanDerWaalsContact NE1-CG 3.31Å; W296-E300 WeakPolarHBondContact O-CG 3.39Å; W296-E300 PolarHBondContact O-N 2.99Å; W296-L320 HydrophobicContact CH2-CD1 3.49Å; W296-L320 VanDerWaalsContact CH2-CD1 3.49Å; W296-L320 HydrophobicContact CZ2-CD1 3.78Å; W296-L320 HydrophobicContact CZ3-CD1 4.09Å; W296-Q323 HydrophobicContact CH2-CB 3.91Å; W296-F327 HydrophobicContact CE3-CD2 4.42Å; W296-F327 HydrophobicContact CE3-CE2 4.39Å; W296-F327 HydrophobicContact CH2-CD2 4.09Å; W296-F327 AromaticContact CH2-CE2 3.67Å; W296-F327 HydrophobicContact CH2-CE2 3.67Å; W296-F327 HydrophobicContact CZ2-CE2 4.05Å; W296-F327 AromaticContact CZ3-CD2 3.86Å; W296-F327 HydrophobicContact CZ3-CD2 3.86Å; W296-F327 AromaticContact CZ3-CE2 3.87Å; W296-F327 HydrophobicContact CZ3-CE2 3.87Å
297	R	94.4	Very high	92.1	Very high	66 Å²	66	59.9 Å²	59.9	25%	0.249	30%	0.303	C	S	.	.	H	α-helix	trans	-55.6	-45.4	176.4	178	-171.8	175.4	-80.1	-32.4	111.6	L293 E294 E301 E324	L293-R297 VanDerWaalsContact O-CB 3.28Å; L293-R297 WeakPolarHBondContact O-CB 3.34Å; L293-R297 PolarHBondContact O-N 2.95Å; E294-R297 PolarHBondContact O-N 3.22Å; E294-R297 IonicContact OE1-NH1 3.24Å; E294-R297 PolarHBondContact OE1-NH1 3.49Å; R297-E301 IonicContact CZ-OE2 2.77Å; R297-E301 IonicContact NH1-OE2 3.82Å; R297-E301 IonicContact NH2-OE2 3.15Å; R297-E301 PolarHBondContact NH2-OE2 3.34Å; R297-E301 WeakPolarHBondContact O-CB 3.5Å; R297-E301 PolarHBondContact O-N 3.23Å; R297-E324 WeakPolarHBondContact CD-OE2 3.46Å; R297-E324 IonicContact NE-OE1 2.93Å; R297-E324 IonicContact NE-OE2 3.6Å; R297-E324 PolarHBondContact NE-OE2 3.31Å; R297-E324 VanDerWaalsContact NE-OE2 3.11Å
298	N	93.2	Very high	92.4	Very high	64 Å²	64	61.3 Å²	61.3	34%	0.342	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-43.6	178.2	-70.1	-32.9	0	0	0	112.1	E294 K295 W296 E301 E302	E294-N298 WeakPolarHBondContact O-CB 3.44Å; E294-N298 VanDerWaalsContact O-CG 3.25Å; E294-N298 PolarHBondContact O-N 3.36Å; E294-N298 PolarHBondContact O-ND2 2.84Å; E294-N298 VanDerWaalsContact O-ND2 3.12Å; K295-N298 PolarHBondContact O-N 2.99Å; W296-N298 VanDerWaalsContact C-N 3.31Å; W296-N298 PolarHBondContact O-N 3.34Å; N298-E301 PolarHBondContact O-N 3.07Å; N298-E302 WeakPolarHBondContact O-CB 3.48Å; N298-E302 VanDerWaalsContact O-CG 3.27Å; N298-E302 WeakPolarHBondContact O-CG 3.46Å; N298-E302 PolarHBondContact O-N 2.91Å
299	E	94.8	Very high	92.6	Very high	98 Å²	98	71.3 Å²	71.3	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-45	177.5	-72.2	171.4	172.7	0	0	111.7	K295 W296 E302 Q303	K295-E299 WeakPolarHBondContact CE-OE1 3.35Å; K295-E299 IonicContact NZ-OE1 2.74Å; K295-E299 WeakPolarHBondContact O-CG 3.31Å; K295-E299 PolarHBondContact O-N 3.15Å; W296-E299 PolarHBondContact O-N 2.96Å; E299-E302 PolarHBondContact O-N 3.4Å; E299-Q303 WeakPolarHBondContact O-CB 3.36Å; E299-Q303 PolarHBondContact O-N 2.69Å
300	E	94.8	Very high	92.8	Very high	62 Å²	62	72.4 Å²	72.4	29%	0.29	37%	0.366	S	S	.	.	H	α-helix	trans	-68.3	-41.7	176.5	-69.3	-65.4	151.9	0	0	112.3	W296 E302 Q303 I304 L320	W296-E300 HydrophobicContact CD2-CG 4.3Å; W296-E300 HydrophobicContact CG-CG 4.44Å; W296-E300 HydrophobicContact CZ2-CG 4Å; W296-E300 VanDerWaalsContact NE1-CG 3.31Å; W296-E300 WeakPolarHBondContact O-CG 3.39Å; W296-E300 PolarHBondContact O-N 2.99Å; E300-E302 VanDerWaalsContact C-N 3.33Å; E300-E302 PolarHBondContact O-N 3.1Å; E300-Q303 PolarHBondContact O-N 3.47Å; E300-I304 WeakPolarHBondContact O-CB 3.44Å; E300-I304 VanDerWaalsContact O-CG1 3.26Å; E300-I304 WeakPolarHBondContact O-CG1 3.46Å; E300-I304 PolarHBondContact O-N 2.9Å; E300-L320 HydrophobicContact CB-CD1 3.6Å; E300-L320 HydrophobicContact CB-CD2 3.94Å; E300-L320 HydrophobicContact CB-CG 4.45Å; E300-L320 HydrophobicContact CG-CD1 4.02Å
301	E	93.9	Very high	92.9	Very high	53 Å²	53	75.5 Å²	75.5	25%	0.248	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-43.1	176.7	-178.1	170.7	176.3	0	0	110.6	R297 N298 I304 N305 L317 L320	R297-E301 IonicContact CZ-OE2 2.77Å; R297-E301 IonicContact NH1-OE2 3.82Å; R297-E301 IonicContact NH2-OE2 3.15Å; R297-E301 PolarHBondContact NH2-OE2 3.34Å; R297-E301 WeakPolarHBondContact O-CB 3.5Å; R297-E301 PolarHBondContact O-N 3.23Å; N298-E301 PolarHBondContact O-N 3.07Å; E301-I304 PolarHBondContact O-N 3.41Å; E301-N305 WeakPolarHBondContact O-CB 3.23Å; E301-N305 PolarHBondContact O-N 2.86Å; E301-N305 PolarHBondContact O-ND2 3.46Å; E301-L317 HydrophobicContact CG-CD2 4.16Å; E301-L320 HydrophobicContact CB-CD2 4.24Å
302	E	94.9	Very high	93	Very high	130 Å²	130	78.3 Å²	78.3	61%	0.607	41%	0.408	S	S	*	.	H	α-helix	trans	-60.4	-47.6	172.7	-76.1	176.7	-171.8	0	0	111.6	N298 E299 E300 I304 N305 C306	N298-E302 WeakPolarHBondContact O-CB 3.48Å; N298-E302 VanDerWaalsContact O-CG 3.27Å; N298-E302 WeakPolarHBondContact O-CG 3.46Å; N298-E302 PolarHBondContact O-N 2.91Å; E299-E302 PolarHBondContact O-N 3.4Å; E300-E302 VanDerWaalsContact C-N 3.33Å; E300-E302 PolarHBondContact O-N 3.1Å; E302-I304 PolarHBondContact O-N 3.49Å; E302-N305 PolarHBondContact O-N 3.45Å; E302-C306 WeakPolarHBondContact O-CB 3.3Å; E302-C306 PolarHBondContact O-N 3.34Å; E302-C306 PolarHBondContact O-SG 3.11Å; E302-C306 VanDerWaalsContact O-SG 3.35Å
303	Q	94.3	Very high	93.2	Very high	115 Å²	115	82 Å²	82	54%	0.537	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-43.7	178.9	-176.1	172.9	-13.7	0	0	112.4	E299 E300 C306 S307	E299-Q303 WeakPolarHBondContact O-CB 3.36Å; E299-Q303 PolarHBondContact O-N 2.69Å; E300-Q303 PolarHBondContact O-N 3.47Å; Q303-C306 PolarHBondContact O-N 2.9Å; Q303-S307 VanDerWaalsContact O-CB 3.27Å; Q303-S307 WeakPolarHBondContact O-CB 3.33Å; Q303-S307 PolarHBondContact O-N 3.14Å; Q303-S307 PolarHBondContact O-OG 3.03Å
304	I	93.8	Very high	93.2	Very high	20 Å²	20	88.6 Å²	88.6	10%	0.103	45%	0.446	C	S	.	.	H	α-helix	trans	-64.1	-44.2	176.3	-70.2	167.2	0	0	0	110.5	E300 E301 E302 C306 S307 L308 R313 A316 L317 L320	E300-I304 WeakPolarHBondContact O-CB 3.44Å; E300-I304 VanDerWaalsContact O-CG1 3.26Å; E300-I304 WeakPolarHBondContact O-CG1 3.46Å; E300-I304 PolarHBondContact O-N 2.9Å; E301-I304 PolarHBondContact O-N 3.41Å; E302-I304 PolarHBondContact O-N 3.49Å; I304-C306 VanDerWaalsContact C-N 3.3Å; I304-C306 PolarHBondContact O-N 3.13Å; I304-S307 PolarHBondContact O-N 2.95Å; I304-L308 PolarHBondContact O-N 3.06Å; I304-R313 HydrophobicContact CG2-CG 4.04Å; I304-A316 HydrophobicContact CD1-CB 4.17Å; I304-A316 HydrophobicContact CG1-CB 4.31Å; I304-A316 HydrophobicContact CG2-CB 3.94Å; I304-L317 HydrophobicContact CB-CD2 4.49Å; I304-L317 HydrophobicContact CD1-CD2 4.31Å; I304-L317 HydrophobicContact CG2-CD2 4.02Å; I304-L317 HydrophobicContact CG2-CG 4.06Å; I304-L320 HydrophobicContact CD1-CB 4.18Å; I304-L320 HydrophobicContact CD1-CD2 4.01Å
305	N	93.1	Very high	93.4	Very high	58 Å²	58	90.3 Å²	90.3	31%	0.31	46%	0.464	S	S	.	.	H	α-helix	trans	-65.1	-33.8	179.9	-72.1	-26.7	0	0	0	112.4	E301 E302 R313	E301-N305 WeakPolarHBondContact O-CB 3.23Å; E301-N305 PolarHBondContact O-N 2.86Å; E301-N305 PolarHBondContact O-ND2 3.46Å; E302-N305 PolarHBondContact O-N 3.45Å; N305-R313 PolarHBondContact OD1-NE 3.4Å; N305-R313 PolarHBondContact OD1-NH2 3.24Å
306	C	92.8	Very high	93.5	Very high	111 Å²	111	86 Å²	86	75%	0.75	45%	0.45	S	S	*	.	H	α-helix	trans	-75	-35.6	174.7	-71.9	0	0	0	0	112.9	E302 Q303 I304	E302-C306 WeakPolarHBondContact O-CB 3.3Å; E302-C306 PolarHBondContact O-N 3.34Å; E302-C306 PolarHBondContact O-SG 3.11Å; E302-C306 VanDerWaalsContact O-SG 3.35Å; Q303-C306 PolarHBondContact O-N 2.9Å; I304-C306 VanDerWaalsContact C-N 3.3Å; I304-C306 PolarHBondContact O-N 3.13Å
307	S	92.7	Very high	93.5	Very high	86 Å²	86	85.4 Å²	85.4	60%	0.601	45%	0.452	S	S	*	.	H	α-helix	trans	-93.2	-36.4	-168.7	-52.6	0	0	0	0	114.2	Q303 I304	Q303-S307 VanDerWaalsContact O-CB 3.27Å; Q303-S307 WeakPolarHBondContact O-CB 3.33Å; Q303-S307 PolarHBondContact O-N 3.14Å; Q303-S307 PolarHBondContact O-OG 3.03Å; I304-S307 PolarHBondContact O-N 2.95Å
308	L	93.1	Very high	93.5	Very high	55 Å²	55	85.9 Å²	85.9	29%	0.288	46%	0.464	S	S	.	.			trans	-120.2	152	-168.8	-60.1	175.5	0	0	0	112	I304 R313 A316	I304-L308 PolarHBondContact O-N 3.06Å; L308-R313 HydrophobicContact CB-CB 4.04Å; L308-A316 HydrophobicContact CD1-CB 3.7Å
309	R	92.4	Very high	93.6	Very high	220 Å²	220	84.8 Å²	84.8	83%	0.83	46%	0.464	S	S	*	.			trans	-134.3	158.4	177.3	-62.9	-171.3	-178.7	-161.5	1.3	111.9	A311	R309-A311 PolarHBondContact O-N 3.01Å
310	G	93.3	Very high	93.6	Very high	54 Å²	54	80.7 Å²	80.7	56%	0.557	45%	0.445	S	S	*	.	H	α-helix	trans	67.2	-129.7	173	0	0	0	0	0	114.2	K314	G310-K314 PolarHBondContact O-N 2.82Å
311	A	92.8	Very high	93.6	Very high	81 Å²	81	82.1 Å²	82.1	67%	0.669	45%	0.454	S	S	*	.	H	α-helix	trans	-71.8	-38.7	-175.2	0	0	0	0	0	113	R309 R313 K314 A315	R309-A311 PolarHBondContact O-N 3.01Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.34Å; A311-K314 PolarHBondContact O-N 3.39Å; A311-K314 VanDerWaalsContact O-N 3.13Å; A311-A315 PolarHBondContact O-N 3.25Å
312	E	90.8	Very high	93.7	Very high	133 Å²	133	85.5 Å²	85.5	62%	0.621	47%	0.47	S	S	*	.	H	α-helix	trans	-62.3	-41.3	178.8	-65.6	176.4	177.3	0	0	111.6	K314 A315 A316	E312-K314 VanDerWaalsContact C-N 3.34Å; E312-K314 PolarHBondContact O-N 2.74Å; E312-A315 PolarHBondContact O-N 3.12Å; E312-A316 WeakPolarHBondContact O-CB 3.37Å; E312-A316 PolarHBondContact O-N 3.47Å
313	R	93.9	Very high	93.8	Very high	99 Å²	99	83.6 Å²	83.6	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-57.4	-46.4	172.6	180	-176.4	170.2	-150.4	-3.4	111.6	I304 N305 L308 A311 A315 A316 L317	I304-R313 HydrophobicContact CG2-CG 4.04Å; N305-R313 PolarHBondContact OD1-NE 3.4Å; N305-R313 PolarHBondContact OD1-NH2 3.24Å; L308-R313 HydrophobicContact CB-CB 4.04Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.34Å; R313-A315 VanDerWaalsContact C-N 3.34Å; R313-A315 PolarHBondContact O-N 2.98Å; R313-A316 PolarHBondContact O-N 3.37Å; R313-L317 HydrophobicContact CG-CD1 4.06Å; R313-L317 HydrophobicContact CG-CG 4.45Å; R313-L317 WeakPolarHBondContact O-CB 3.45Å; R313-L317 VanDerWaalsContact O-CG 3.3Å; R313-L317 WeakPolarHBondContact O-CG 3.4Å; R313-L317 PolarHBondContact O-N 3.35Å
314	K	92.3	Very high	93.8	Very high	153 Å²	153	79.1 Å²	79.1	67%	0.665	44%	0.44	S	S	*	.	H	α-helix	trans	-63.9	-41.2	179.9	-69.9	-178.8	179.9	-177.2	0	111.3	G310 A311 E312 L317 C318	G310-K314 PolarHBondContact O-N 2.82Å; A311-K314 PolarHBondContact O-N 3.39Å; A311-K314 VanDerWaalsContact O-N 3.13Å; E312-K314 VanDerWaalsContact C-N 3.34Å; E312-K314 PolarHBondContact O-N 2.74Å; K314-L317 PolarHBondContact O-N 2.96Å; K314-C318 PolarHBondContact O-N 2.88Å; K314-C318 PolarHBondContact O-SG 2.92Å
315	A	94.8	Very high	93.8	Very high	63 Å²	63	83.8 Å²	83.8	52%	0.521	46%	0.463	S	S	.	.	H	α-helix	trans	-63.6	-43.9	176.7	0	0	0	0	0	111.6	A311 E312 R313 C318 A319	A311-A315 PolarHBondContact O-N 3.25Å; E312-A315 PolarHBondContact O-N 3.12Å; R313-A315 VanDerWaalsContact C-N 3.34Å; R313-A315 PolarHBondContact O-N 2.98Å; A315-C318 WeakPolarHBondContact O-CB 3.39Å; A315-C318 PolarHBondContact O-N 3.41Å; A315-A319 PolarHBondContact O-N 3.3Å
316	A	92.8	Very high	93.9	Very high	26 Å²	26	87.3 Å²	87.3	22%	0.215	48%	0.478	C	S	.	.	H	α-helix	trans	-63.3	-40.8	176	0	0	0	0	0	112.6	I304 L308 E312 R313 A319 L320	I304-A316 HydrophobicContact CD1-CB 4.17Å; I304-A316 HydrophobicContact CG1-CB 4.31Å; I304-A316 HydrophobicContact CG2-CB 3.94Å; L308-A316 HydrophobicContact CD1-CB 3.7Å; E312-A316 WeakPolarHBondContact O-CB 3.37Å; E312-A316 PolarHBondContact O-N 3.47Å; R313-A316 PolarHBondContact O-N 3.37Å; A316-A319 PolarHBondContact O-N 3.32Å; A316-L320 WeakPolarHBondContact O-CB 3.45Å; A316-L320 PolarHBondContact O-N 3.39Å
317	L	94.1	Very high	93.9	Very high	47 Å²	47	86.8 Å²	86.8	25%	0.246	46%	0.463	C	S	.	.	H	α-helix	trans	-66.1	-35.7	174.9	-70.7	173.4	0	0	0	112.4	E301 I304 R313 K314 L320 L321	E301-L317 HydrophobicContact CG-CD2 4.16Å; I304-L317 HydrophobicContact CB-CD2 4.49Å; I304-L317 HydrophobicContact CD1-CD2 4.31Å; I304-L317 HydrophobicContact CG2-CD2 4.02Å; I304-L317 HydrophobicContact CG2-CG 4.06Å; R313-L317 HydrophobicContact CG-CD1 4.06Å; R313-L317 HydrophobicContact CG-CG 4.45Å; R313-L317 WeakPolarHBondContact O-CB 3.45Å; R313-L317 VanDerWaalsContact O-CG 3.3Å; R313-L317 WeakPolarHBondContact O-CG 3.4Å; R313-L317 PolarHBondContact O-N 3.35Å; K314-L317 PolarHBondContact O-N 2.96Å; L317-L320 PolarHBondContact O-N 3.09Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 PolarHBondContact O-N 3.27Å
318	C	94.8	Very high	94	Very high	76 Å²	76	85.3 Å²	85.3	51%	0.514	45%	0.447	S	S	.	.	H	α-helix	trans	-63.9	-45.3	172.3	-72.4	0	0	0	0	111.5	K314 A315 L320 L321 E322	K314-C318 PolarHBondContact O-N 2.88Å; K314-C318 PolarHBondContact O-SG 2.92Å; A315-C318 WeakPolarHBondContact O-CB 3.39Å; A315-C318 PolarHBondContact O-N 3.41Å; C318-L320 VanDerWaalsContact C-N 3.33Å; C318-L320 PolarHBondContact O-N 2.94Å; C318-L321 WeakPolarHBondContact O-CB 3.47Å; C318-L321 PolarHBondContact O-N 3.1Å; C318-E322 WeakPolarHBondContact O-CG 3.47Å; C318-E322 PolarHBondContact O-N 3.33Å
319	A	95.1	Very high	94	Very high	41 Å²	41	84.8 Å²	84.8	34%	0.339	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-39.6	176.1	0	0	0	0	0	112.1	A315 A316 L321 E322 Q323	A315-A319 PolarHBondContact O-N 3.3Å; A316-A319 PolarHBondContact O-N 3.32Å; A319-L321 VanDerWaalsContact C-N 3.32Å; A319-L321 PolarHBondContact O-N 2.94Å; A319-E322 PolarHBondContact O-N 3.16Å; A319-Q323 WeakPolarHBondContact O-CG 3.33Å; A319-Q323 PolarHBondContact O-N 3.12Å
320	L	95.4	Very high	94.1	Very high	11 Å²	11	75.5 Å²	75.5	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-61.2	-41.9	173.9	-177.1	66.3	0	0	0	111.4	W296 E300 E301 I304 A316 L317 C318 Q323 E324	W296-L320 HydrophobicContact CH2-CD1 3.49Å; W296-L320 VanDerWaalsContact CH2-CD1 3.49Å; W296-L320 HydrophobicContact CZ2-CD1 3.78Å; W296-L320 HydrophobicContact CZ3-CD1 4.09Å; E300-L320 HydrophobicContact CB-CD1 3.6Å; E300-L320 HydrophobicContact CB-CD2 3.94Å; E300-L320 HydrophobicContact CB-CG 4.45Å; E300-L320 HydrophobicContact CG-CD1 4.02Å; E301-L320 HydrophobicContact CB-CD2 4.24Å; I304-L320 HydrophobicContact CD1-CB 4.18Å; I304-L320 HydrophobicContact CD1-CD2 4.01Å; A316-L320 WeakPolarHBondContact O-CB 3.45Å; A316-L320 PolarHBondContact O-N 3.39Å; L317-L320 PolarHBondContact O-N 3.09Å; C318-L320 VanDerWaalsContact C-N 3.33Å; C318-L320 PolarHBondContact O-N 2.94Å; L320-Q323 PolarHBondContact O-N 3.06Å; L320-E324 WeakPolarHBondContact O-CB 3.38Å; L320-E324 PolarHBondContact O-N 3.34Å
321	L	95.1	Very high	94	Very high	93 Å²	93	74 Å²	74	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-65.9	-38.1	177.1	-176.9	142.9	0	0	0	112.1	L317 C318 A319 E324 M325	L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 PolarHBondContact O-N 3.27Å; C318-L321 WeakPolarHBondContact O-CB 3.47Å; C318-L321 PolarHBondContact O-N 3.1Å; A319-L321 VanDerWaalsContact C-N 3.32Å; A319-L321 PolarHBondContact O-N 2.94Å; L321-E324 WeakPolarHBondContact O-CB 3.32Å; L321-E324 PolarHBondContact O-N 3.5Å; L321-M325 HydrophobicContact CD2-CG 4.28Å; L321-M325 HydrophobicContact CD2-SD 3.64Å; L321-M325 VanDerWaalsContact O-CG 3.3Å; L321-M325 WeakPolarHBondContact O-CG 3.28Å; L321-M325 PolarHBondContact O-N 2.91Å
322	E	95.9	Very high	94	Very high	124 Å²	124	71.1 Å²	71.1	58%	0.579	38%	0.379	S	S	*	.	H	α-helix	trans	-61.4	-45.7	173.6	-72.7	172.6	-177.7	0	0	111.3	C318 A319 E324 M325 E326	C318-E322 WeakPolarHBondContact O-CG 3.47Å; C318-E322 PolarHBondContact O-N 3.33Å; A319-E322 PolarHBondContact O-N 3.16Å; E322-E324 VanDerWaalsContact C-N 3.35Å; E322-E324 PolarHBondContact O-N 3.35Å; E322-M325 WeakPolarHBondContact O-CB 3.38Å; E322-M325 PolarHBondContact O-N 3.16Å; E322-E326 WeakPolarHBondContact O-CG 3.37Å; E322-E326 PolarHBondContact O-N 2.95Å
323	Q	96.1	Very high	94	Very high	89 Å²	89	72.3 Å²	72.3	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-42.5	174.5	-68.7	176.1	4.9	0	0	112	W296 A319 L320 M325 E326 F327	W296-Q323 HydrophobicContact CH2-CB 3.91Å; A319-Q323 WeakPolarHBondContact O-CG 3.33Å; A319-Q323 PolarHBondContact O-N 3.12Å; L320-Q323 PolarHBondContact O-N 3.06Å; Q323-M325 VanDerWaalsContact C-N 3.32Å; Q323-M325 PolarHBondContact O-N 3.04Å; Q323-E326 PolarHBondContact O-N 3.33Å; Q323-F327 HydrophobicContact CB-CE2 4.43Å; Q323-F327 WeakPolarHBondContact O-CD2 3.47Å; Q323-F327 WeakPolarHBondContact O-CG 3.44Å; Q323-F327 PolarHBondContact O-N 3.29Å
324	E	94.6	Very high	93.9	Very high	21 Å²	21	72.9 Å²	72.9	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-57.6	-45.8	175.1	-165.2	-165.8	158.6	0	0	111.1	L293 R297 L320 L321 E322 E326 F327 I328 R522	L293-E324 HydrophobicContact CD2-CG 3.86Å; R297-E324 WeakPolarHBondContact CD-OE2 3.46Å; R297-E324 IonicContact NE-OE1 2.93Å; R297-E324 IonicContact NE-OE2 3.6Å; R297-E324 PolarHBondContact NE-OE2 3.31Å; R297-E324 VanDerWaalsContact NE-OE2 3.11Å; L320-E324 WeakPolarHBondContact O-CB 3.38Å; L320-E324 PolarHBondContact O-N 3.34Å; L321-E324 WeakPolarHBondContact O-CB 3.32Å; L321-E324 PolarHBondContact O-N 3.5Å; E322-E324 VanDerWaalsContact C-N 3.35Å; E322-E324 PolarHBondContact O-N 3.35Å; E324-E326 PolarHBondContact O-N 2.9Å; E324-F327 PolarHBondContact O-N 3.39Å; E324-I328 HydrophobicContact CG-CD1 3.95Å; E324-I328 VanDerWaalsContact O-CG1 3.27Å; E324-I328 WeakPolarHBondContact O-CG1 3.43Å; E324-I328 PolarHBondContact O-N 2.87Å; E324-R522 IonicContact OE1-CZ 3.28Å; E324-R522 VanDerWaalsContact OE1-CZ 3.25Å; E324-R522 IonicContact OE1-NH1 3.74Å; E324-R522 PolarHBondContact OE1-NH1 3.43Å; E324-R522 IonicContact OE1-NH2 3.7Å; E324-R522 PolarHBondContact OE1-NH2 2.95Å
325	M	93.6	Very high	93.8	Very high	118 Å²	118	67.8 Å²	67.8	58%	0.581	36%	0.363	S	S	*	.	H	α-helix	trans	-61.8	-42	177.7	-73.3	178.9	61.8	0	0	112.2	L321 E322 Q323 I328 A329	L321-M325 HydrophobicContact CD2-CG 4.28Å; L321-M325 HydrophobicContact CD2-SD 3.64Å; L321-M325 VanDerWaalsContact O-CG 3.3Å; L321-M325 WeakPolarHBondContact O-CG 3.28Å; L321-M325 PolarHBondContact O-N 2.91Å; E322-M325 WeakPolarHBondContact O-CB 3.38Å; E322-M325 PolarHBondContact O-N 3.16Å; Q323-M325 VanDerWaalsContact C-N 3.32Å; Q323-M325 PolarHBondContact O-N 3.04Å; M325-I328 PolarHBondContact O-N 3.38Å; M325-A329 VanDerWaalsContact O-CB 3.3Å; M325-A329 WeakPolarHBondContact O-CB 3.34Å; M325-A329 PolarHBondContact O-N 2.97Å
326	E	95.8	Very high	93.6	Very high	133 Å²	133	70.5 Å²	70.5	62%	0.621	37%	0.368	S	S	*	.	H	α-helix	trans	-61.8	-44.6	176.4	-72.7	-177.8	177.5	0	0	112.1	E322 Q323 E324 A329 A330	E322-E326 WeakPolarHBondContact O-CG 3.37Å; E322-E326 PolarHBondContact O-N 2.95Å; Q323-E326 PolarHBondContact O-N 3.33Å; E324-E326 PolarHBondContact O-N 2.9Å; E326-A329 PolarHBondContact O-N 3.36Å; E326-A330 WeakPolarHBondContact O-CB 3.25Å; E326-A330 PolarHBondContact O-N 3.23Å
327	F	93.8	Very high	93.5	Very high	99 Å²	99	73.7 Å²	73.7	43%	0.434	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-43.1	177.1	-67.1	-43.7	0	0	0	112.2	L293 W296 Q323 E324 A329 A330 I331	L293-F327 HydrophobicContact CD1-CB 3.48Å; L293-F327 VanDerWaalsContact CD1-CB 3.48Å; L293-F327 HydrophobicContact CD1-CG 4.43Å; W296-F327 HydrophobicContact CE3-CD2 4.42Å; W296-F327 HydrophobicContact CE3-CE2 4.39Å; W296-F327 HydrophobicContact CH2-CD2 4.09Å; W296-F327 AromaticContact CH2-CE2 3.67Å; W296-F327 HydrophobicContact CH2-CE2 3.67Å; W296-F327 HydrophobicContact CZ2-CE2 4.05Å; W296-F327 AromaticContact CZ3-CD2 3.86Å; W296-F327 HydrophobicContact CZ3-CD2 3.86Å; W296-F327 AromaticContact CZ3-CE2 3.87Å; W296-F327 HydrophobicContact CZ3-CE2 3.87Å; Q323-F327 HydrophobicContact CB-CE2 4.43Å; Q323-F327 WeakPolarHBondContact O-CD2 3.47Å; Q323-F327 WeakPolarHBondContact O-CG 3.44Å; Q323-F327 PolarHBondContact O-N 3.29Å; E324-F327 PolarHBondContact O-N 3.39Å; F327-A329 VanDerWaalsContact C-N 3.3Å; F327-A329 PolarHBondContact O-N 2.86Å; F327-A330 PolarHBondContact O-N 3.29Å; F327-I331 VanDerWaalsContact O-CG1 3.29Å; F327-I331 WeakPolarHBondContact O-CG1 3.25Å; F327-I331 PolarHBondContact O-N 3.25Å
328	I	93	Very high	93.4	Very high	55 Å²	55	72 Å²	72	28%	0.282	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-42.6	175.1	-68.3	165.9	0	0	0	110.5	L293 E324 M325 I331 G332 R522	L293-I328 HydrophobicContact CD1-CG1 4.15Å; E324-I328 HydrophobicContact CG-CD1 3.95Å; E324-I328 VanDerWaalsContact O-CG1 3.27Å; E324-I328 WeakPolarHBondContact O-CG1 3.43Å; E324-I328 PolarHBondContact O-N 2.87Å; M325-I328 PolarHBondContact O-N 3.38Å; I328-I331 PolarHBondContact O-N 3.39Å; I328-G332 PolarHBondContact O-N 2.78Å; I328-R522 VanDerWaalsContact CD1-NH2 3.34Å
329	A	94.4	Very high	93.1	Very high	45 Å²	45	72.2 Å²	72.2	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-39.9	176.8	0	0	0	0	0	111.8	M325 E326 F327 G332 R333	M325-A329 VanDerWaalsContact O-CB 3.3Å; M325-A329 WeakPolarHBondContact O-CB 3.34Å; M325-A329 PolarHBondContact O-N 2.97Å; E326-A329 PolarHBondContact O-N 3.36Å; F327-A329 VanDerWaalsContact C-N 3.3Å; F327-A329 PolarHBondContact O-N 2.86Å; A329-G332 PolarHBondContact O-N 3.05Å; A329-R333 WeakPolarHBondContact O-CG 3.4Å; A329-R333 PolarHBondContact O-N 3.08Å
330	A	93.9	Very high	92.7	Very high	25 Å²	25	72.4 Å²	72.4	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-47.6	175	0	0	0	0	0	111.9	E326 F327 G332 R333 H334	E326-A330 WeakPolarHBondContact O-CB 3.25Å; E326-A330 PolarHBondContact O-N 3.23Å; F327-A330 PolarHBondContact O-N 3.29Å; A330-G332 VanDerWaalsContact C-N 3.3Å; A330-G332 PolarHBondContact O-N 3.32Å; A330-R333 PolarHBondContact O-N 2.9Å; A330-H334 PolarHBondContact O-CD2 2.85Å; A330-H334 PolarHBondContact O-N 3.01Å
331	I	92.2	Very high	92.3	Very high	21 Å²	21	75.2 Å²	75.2	11%	0.108	38%	0.382	C	S	.	.	H	α-helix	trans	-58.7	-44.4	175.5	-65.1	166.7	0	0	0	110.1	F286 L289 Y290 L293 F327 I328 R333 H334 Q335	F286-I331 HydrophobicContact CD1-CG2 3.88Å; F286-I331 HydrophobicContact CE1-CG2 4.45Å; L289-I331 HydrophobicContact CB-CD1 4.29Å; Y290-I331 HydrophobicContact CD1-CD1 4.16Å; Y290-I331 HydrophobicContact CE1-CB 4.37Å; Y290-I331 HydrophobicContact CE1-CD1 4.05Å; Y290-I331 HydrophobicContact CE1-CG2 3.99Å; Y290-I331 HydrophobicContact CE2-CG2 3.82Å; Y290-I331 VanDerWaalsContact CZ-CG2 3.49Å; Y290-I331 WeakPolarHBondContact OH-CG2 3.46Å; L293-I331 HydrophobicContact CD1-CD1 3.97Å; F327-I331 VanDerWaalsContact O-CG1 3.29Å; F327-I331 WeakPolarHBondContact O-CG1 3.25Å; F327-I331 PolarHBondContact O-N 3.25Å; I328-I331 PolarHBondContact O-N 3.39Å; I331-R333 PolarHBondContact O-N 2.94Å; I331-H334 PolarHBondContact O-N 3.04Å; I331-Q335 WeakPolarHBondContact O-CB 3.49Å; I331-Q335 PolarHBondContact O-N 3.46Å
332	G	91.2	Very high	92.1	Very high	21 Å²	21	72.8 Å²	72.8	22%	0.216	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-43.5	177	0	0	0	0	0	113.4	I328 A329 A330 H334 Q335 I336	I328-G332 PolarHBondContact O-N 2.78Å; A329-G332 PolarHBondContact O-N 3.05Å; A330-G332 VanDerWaalsContact C-N 3.3Å; A330-G332 PolarHBondContact O-N 3.32Å; G332-H334 VanDerWaalsContact C-N 3.34Å; G332-H334 PolarHBondContact O-N 3.45Å; G332-Q335 PolarHBondContact O-N 3.41Å; G332-I336 WeakPolarHBondContact O-CG1 3.27Å; G332-I336 PolarHBondContact O-N 3.39Å
333	R	92.5	Very high	91.6	Very high	158 Å²	158	72.2 Å²	72.2	60%	0.596	37%	0.367	S	S	*	.	H	α-helix	trans	-60.5	-43.3	174.5	-72.1	-172.3	-60.1	-90.3	6	111.8	A329 A330 I331 I336 N337	A329-R333 WeakPolarHBondContact O-CG 3.4Å; A329-R333 PolarHBondContact O-N 3.08Å; A330-R333 PolarHBondContact O-N 2.9Å; I331-R333 PolarHBondContact O-N 2.94Å; R333-I336 PolarHBondContact O-N 3.44Å; R333-N337 PolarHBondContact O-N 3.45Å
334	H	90.8	Very high	91.1	Very high	111 Å²	111	72 Å²	72	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-42	175.8	-74.6	-61.8	0	0	0	112	F286 A330 I331 G332 I336 N337 V338	F286-H334 HydrophobicContact CE1-CB 4.21Å; A330-H334 PolarHBondContact O-CD2 2.85Å; A330-H334 PolarHBondContact O-N 3.01Å; I331-H334 PolarHBondContact O-N 3.04Å; G332-H334 VanDerWaalsContact C-N 3.34Å; G332-H334 PolarHBondContact O-N 3.45Å; H334-I336 PolarHBondContact O-N 2.98Å; H334-N337 PolarHBondContact O-N 3.2Å; H334-V338 WeakPolarHBondContact O-CB 3.06Å; H334-V338 VanDerWaalsContact O-CG2 3.29Å; H334-V338 WeakPolarHBondContact O-CG2 3.07Å; H334-V338 PolarHBondContact O-N 3.32Å
335	Q	91.2	Very high	90.8	Very high	47 Å²	47	75.2 Å²	75.2	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-45.1	177.2	-173.1	179.7	-11.8	0	0	111.4	F286 I331 G332 N337 V338 E339	F286-Q335 HydrophobicContact CD1-CB 4.41Å; F286-Q335 HydrophobicContact CD2-CG 4.43Å; F286-Q335 HydrophobicContact CE1-CB 4.02Å; F286-Q335 HydrophobicContact CE2-CB 4.39Å; F286-Q335 HydrophobicContact CE2-CG 4.28Å; F286-Q335 HydrophobicContact CZ-CB 4.02Å; F286-Q335 HydrophobicContact CZ-CG 4.41Å; I331-Q335 WeakPolarHBondContact O-CB 3.49Å; I331-Q335 PolarHBondContact O-N 3.46Å; G332-Q335 PolarHBondContact O-N 3.41Å; Q335-N337 PolarHBondContact O-N 3.26Å; Q335-V338 PolarHBondContact O-N 2.89Å; Q335-E339 HydrophobicContact CG-CG 4.26Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.48Å; Q335-E339 PolarHBondContact NE2-OE1 3.01Å; Q335-E339 VanDerWaalsContact O-CB 3.27Å; Q335-E339 WeakPolarHBondContact O-CB 3.35Å; Q335-E339 VanDerWaalsContact O-CG 3.25Å; Q335-E339 WeakPolarHBondContact O-CG 2.85Å; Q335-E339 PolarHBondContact O-N 3.21Å
336	I	90.6	Very high	90.4	Very high	120 Å²	120	74.5 Å²	74.5	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-60.3	-45.1	177.4	-66.7	163.9	0	0	0	111.2	G332 R333 H334 E339 A340	G332-I336 WeakPolarHBondContact O-CG1 3.27Å; G332-I336 PolarHBondContact O-N 3.39Å; R333-I336 PolarHBondContact O-N 3.44Å; H334-I336 PolarHBondContact O-N 2.98Å; I336-E339 PolarHBondContact O-N 2.85Å; I336-A340 PolarHBondContact O-N 2.94Å
337	N	90.2	Very high	90	Very high	93 Å²	93	69.5 Å²	69.5	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-45.6	178.5	-173.8	17	0	0	0	111.8	R333 H334 Q335 A340 I341	R333-N337 PolarHBondContact O-N 3.45Å; H334-N337 PolarHBondContact O-N 3.2Å; Q335-N337 PolarHBondContact O-N 3.26Å; N337-A340 WeakPolarHBondContact O-CB 3.49Å; N337-A340 PolarHBondContact O-N 3.45Å; N337-I341 WeakPolarHBondContact O-CG1 3.49Å; N337-I341 PolarHBondContact O-N 2.81Å; N337-I341 VanDerWaalsContact O-N 3.07Å
338	V	90.8	Very high	89.7	Confident	10 Å²	10	71.5 Å²	71.5	6%	0.061	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-38.4	178.4	169.3	0	0	0	0	111.4	P280 Q281 F286 H334 Q335 A340 I341 N342	P280-V338 WeakPolarHBondContact O-CG2 3.46Å; Q281-V338 VanDerWaalsContact O-CG1 3.29Å; Q281-V338 WeakPolarHBondContact O-CG1 3.33Å; F286-V338 HydrophobicContact CE2-CB 4.23Å; F286-V338 HydrophobicContact CE2-CG1 3.99Å; F286-V338 HydrophobicContact CZ-CB 4.04Å; F286-V338 HydrophobicContact CZ-CG1 4.27Å; F286-V338 HydrophobicContact CZ-CG2 4.04Å; H334-V338 WeakPolarHBondContact O-CB 3.06Å; H334-V338 VanDerWaalsContact O-CG2 3.29Å; H334-V338 WeakPolarHBondContact O-CG2 3.07Å; H334-V338 PolarHBondContact O-N 3.32Å; Q335-V338 PolarHBondContact O-N 2.89Å; V338-A340 VanDerWaalsContact C-N 3.35Å; V338-I341 PolarHBondContact O-N 3.29Å; V338-N342 WeakPolarHBondContact CG1-ND2 3.26Å; V338-N342 WeakPolarHBondContact O-CB 3.46Å; V338-N342 VanDerWaalsContact O-CG 3.22Å; V338-N342 PolarHBondContact O-N 2.97Å; V338-N342 PolarHBondContact O-ND2 3.4Å
339	E	89.1	Confident	89.5	Confident	82 Å²	82	73.2 Å²	73.2	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-41.1	173.8	-78.4	178.6	-174.2	0	0	111.4	Q335 I336 N342 Q343	Q335-E339 HydrophobicContact CG-CG 4.26Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.48Å; Q335-E339 PolarHBondContact NE2-OE1 3.01Å; Q335-E339 VanDerWaalsContact O-CB 3.27Å; Q335-E339 WeakPolarHBondContact O-CB 3.35Å; Q335-E339 VanDerWaalsContact O-CG 3.25Å; Q335-E339 WeakPolarHBondContact O-CG 2.85Å; Q335-E339 PolarHBondContact O-N 3.21Å; I336-E339 PolarHBondContact O-N 2.85Å; E339-N342 PolarHBondContact O-N 3.2Å; E339-Q343 WeakPolarHBondContact O-CB 3.26Å; E339-Q343 WeakPolarHBondContact O-CG 3.49Å; E339-Q343 PolarHBondContact O-N 2.99Å
340	A	87.4	Confident	89.1	Confident	45 Å²	45	72.6 Å²	72.6	37%	0.372	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-48.3	173.9	0	0	0	0	0	111.9	I336 N337 V338 N342 Q343 D344	I336-A340 PolarHBondContact O-N 2.94Å; N337-A340 WeakPolarHBondContact O-CB 3.49Å; N337-A340 PolarHBondContact O-N 3.45Å; V338-A340 VanDerWaalsContact C-N 3.35Å; A340-N342 VanDerWaalsContact C-N 3.33Å; A340-N342 PolarHBondContact O-N 3.13Å; A340-Q343 WeakPolarHBondContact O-CB 3.25Å; A340-Q343 PolarHBondContact O-N 3.02Å; A340-D344 PolarHBondContact O-N 3.44Å
341	I	87.3	Confident	88.7	Confident	70 Å²	70	71.6 Å²	71.6	36%	0.359	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-41.2	176.8	-64.4	166	0	0	0	111.3	N337 V338 D344 K345	N337-I341 WeakPolarHBondContact O-CG1 3.49Å; N337-I341 PolarHBondContact O-N 2.81Å; N337-I341 VanDerWaalsContact O-N 3.07Å; V338-I341 PolarHBondContact O-N 3.29Å; I341-D344 PolarHBondContact O-N 2.91Å; I341-K345 WeakPolarHBondContact O-CG 3.31Å; I341-K345 PolarHBondContact O-N 3.12Å; I341-K345 VanDerWaalsContact O-N 3.14Å
342	N	89.4	Confident	88.4	Confident	41 Å²	41	73 Å²	73	22%	0.219	36%	0.359	C	S	.	.	H	α-helix	trans	-70	-34.6	179	-77.8	-20.7	0	0	0	111.8	Q281 V338 E339 A340 D344 K345 I346	Q281-N342 PolarHBondContact O-ND2 3.49Å; V338-N342 WeakPolarHBondContact CG1-ND2 3.26Å; V338-N342 WeakPolarHBondContact O-CB 3.46Å; V338-N342 VanDerWaalsContact O-CG 3.22Å; V338-N342 PolarHBondContact O-N 2.97Å; V338-N342 PolarHBondContact O-ND2 3.4Å; E339-N342 PolarHBondContact O-N 3.2Å; A340-N342 VanDerWaalsContact C-N 3.33Å; A340-N342 PolarHBondContact O-N 3.13Å; N342-D344 VanDerWaalsContact C-N 3.34Å; N342-K345 PolarHBondContact O-N 3.1Å; N342-I346 WeakPolarHBondContact O-CB 3.41Å; N342-I346 WeakPolarHBondContact O-CD1 3.38Å; N342-I346 WeakPolarHBondContact O-CG1 3.33Å; N342-I346 PolarHBondContact O-N 2.72Å
343	Q	86.1	Confident	88	Confident	113 Å²	113	78.1 Å²	78.1	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-59.5	-45.9	173.3	-78.4	171.7	17.6	0	0	110.6	E339 A340 K345 I346 I347	E339-Q343 WeakPolarHBondContact O-CB 3.26Å; E339-Q343 WeakPolarHBondContact O-CG 3.49Å; E339-Q343 PolarHBondContact O-N 2.99Å; A340-Q343 WeakPolarHBondContact O-CB 3.25Å; A340-Q343 PolarHBondContact O-N 3.02Å; Q343-K345 VanDerWaalsContact C-N 3.35Å; Q343-K345 PolarHBondContact O-N 2.74Å; Q343-I346 PolarHBondContact O-N 2.98Å; Q343-I346 VanDerWaalsContact O-N 3.15Å; Q343-I347 VanDerWaalsContact O-CG1 3.26Å; Q343-I347 WeakPolarHBondContact O-CG1 3.43Å; Q343-I347 PolarHBondContact O-N 3.16Å
344	D	84.8	Confident	86.8	Confident	85 Å²	85	71 Å²	71	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175	-71.7	-15.8	0	0	0	112	A340 I341 N342 I346 I347 R348	A340-D344 PolarHBondContact O-N 3.44Å; I341-D344 PolarHBondContact O-N 2.91Å; N342-D344 VanDerWaalsContact C-N 3.34Å; D344-I346 PolarHBondContact O-N 3.39Å; D344-I347 PolarHBondContact O-N 3.07Å; D344-R348 WeakPolarHBondContact O-CG 3.39Å; D344-R348 PolarHBondContact O-N 3.33Å
345	K	87.9	Confident	85.5	Confident	87 Å²	87	66.7 Å²	66.7	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-42.3	174.5	-69.3	174.4	-173.5	167.3	0	111.8	I341 N342 Q343 I347 R348 N349	I341-K345 WeakPolarHBondContact O-CG 3.31Å; I341-K345 PolarHBondContact O-N 3.12Å; I341-K345 VanDerWaalsContact O-N 3.14Å; N342-K345 PolarHBondContact O-N 3.1Å; Q343-K345 VanDerWaalsContact C-N 3.35Å; Q343-K345 PolarHBondContact O-N 2.74Å; K345-I347 VanDerWaalsContact C-N 3.35Å; K345-R348 PolarHBondContact O-N 2.83Å; K345-N349 VanDerWaalsContact O-CB 3.26Å; K345-N349 WeakPolarHBondContact O-CB 3.33Å; K345-N349 PolarHBondContact O-N 2.9Å; K345-N349 PolarHBondContact O-ND2 3.22Å
346	I	86.8	Confident	84	Confident	104 Å²	104	68.4 Å²	68.4	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-42.9	178.4	-72	162.5	0	0	0	110.1	N342 Q343 D344 N349 F350	N342-I346 WeakPolarHBondContact O-CB 3.41Å; N342-I346 WeakPolarHBondContact O-CD1 3.38Å; N342-I346 WeakPolarHBondContact O-CG1 3.33Å; N342-I346 PolarHBondContact O-N 2.72Å; Q343-I346 PolarHBondContact O-N 2.98Å; Q343-I346 VanDerWaalsContact O-N 3.15Å; D344-I346 PolarHBondContact O-N 3.39Å; I346-N349 PolarHBondContact O-N 2.87Å; I346-F350 VanDerWaalsContact O-CB 3.26Å; I346-F350 WeakPolarHBondContact O-CB 3.32Å; I346-F350 PolarHBondContact O-N 3.34Å
347	I	87.6	Confident	82.7	Confident	27 Å²	27	69.5 Å²	69.5	14%	0.138	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-50.4	176.9	-67.5	165.4	0	0	0	110.1	Q343 D344 K345 N349 F350 L351 Y386 L453	Q343-I347 VanDerWaalsContact O-CG1 3.26Å; Q343-I347 WeakPolarHBondContact O-CG1 3.43Å; Q343-I347 PolarHBondContact O-N 3.16Å; D344-I347 PolarHBondContact O-N 3.07Å; K345-I347 VanDerWaalsContact C-N 3.35Å; I347-N349 VanDerWaalsContact C-N 3.34Å; I347-N349 PolarHBondContact O-N 3.39Å; I347-F350 WeakPolarHBondContact O-CA 3.45Å; I347-F350 WeakPolarHBondContact O-CB 3.29Å; I347-F350 PolarHBondContact O-N 3.26Å; I347-F350 VanDerWaalsContact O-N 3.09Å; I347-L351 HydrophobicContact CG2-CD1 3.98Å; I347-L351 HydrophobicContact CG2-CG 4.46Å; I347-L351 WeakPolarHBondContact O-CG 3.41Å; I347-L351 PolarHBondContact O-N 3.39Å; I347-Y386 HydrophobicContact CG2-CE1 3.87Å; I347-Y386 WeakPolarHBondContact CG2-OH 3.25Å; I347-L453 HydrophobicContact CD1-CD2 3.93Å; I347-L453 HydrophobicContact CG1-CD2 3.86Å; I347-L453 HydrophobicContact CG2-CD1 3.92Å; I347-L453 HydrophobicContact CG2-CD2 4.08Å
348	R	86.9	Confident	81.5	Confident	141 Å²	141	66.6 Å²	66.6	53%	0.532	34%	0.337	S	S	.	.	H	α-helix	trans	-59.3	-43.8	176.9	-69.1	177.6	-163.8	153.9	8.4	112.1	D344 K345 F350 L351 N352	D344-R348 WeakPolarHBondContact O-CG 3.39Å; D344-R348 PolarHBondContact O-N 3.33Å; K345-R348 PolarHBondContact O-N 2.83Å; R348-F350 VanDerWaalsContact C-N 3.31Å; R348-F350 PolarHBondContact O-N 2.94Å; R348-L351 PolarHBondContact O-N 3.34Å; R348-N352 WeakPolarHBondContact O-CB 3.5Å; R348-N352 PolarHBondContact O-N 3.05Å; R348-N352 PolarHBondContact O-ND2 3.26Å
349	N	87.4	Confident	80.4	Confident	91 Å²	91	69.1 Å²	69.1	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-38.7	175.5	-74.4	-18.5	0	0	0	111.9	K345 I346 I347 N352 K353	K345-N349 VanDerWaalsContact O-CB 3.26Å; K345-N349 WeakPolarHBondContact O-CB 3.33Å; K345-N349 PolarHBondContact O-N 2.9Å; K345-N349 PolarHBondContact O-ND2 3.22Å; I346-N349 PolarHBondContact O-N 2.87Å; I347-N349 VanDerWaalsContact C-N 3.34Å; I347-N349 PolarHBondContact O-N 3.39Å; N349-N352 PolarHBondContact O-N 2.87Å; N349-K353 WeakPolarHBondContact O-CB 3.49Å; N349-K353 VanDerWaalsContact O-CG 3.25Å; N349-K353 WeakPolarHBondContact O-CG 3.48Å; N349-K353 PolarHBondContact O-N 3.43Å
350	F	86.7	Confident	79.7	Confident	32 Å²	32	70.1 Å²	70.1	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-64.4	-40.4	175.2	172.9	-95.1	0	0	0	111.8	I346 I347 R348 P354 L453 I456 R457 V465 L468	I346-F350 VanDerWaalsContact O-CB 3.26Å; I346-F350 WeakPolarHBondContact O-CB 3.32Å; I346-F350 PolarHBondContact O-N 3.34Å; I347-F350 WeakPolarHBondContact O-CA 3.45Å; I347-F350 WeakPolarHBondContact O-CB 3.29Å; I347-F350 PolarHBondContact O-N 3.26Å; I347-F350 VanDerWaalsContact O-N 3.09Å; R348-F350 VanDerWaalsContact C-N 3.31Å; R348-F350 PolarHBondContact O-N 2.94Å; F350-P354 WeakPolarHBondContact O-CD 3.43Å; F350-P354 WeakPolarHBondContact O-CG 3.37Å; F350-L453 HydrophobicContact CD1-CD1 4.49Å; F350-I456 HydrophobicContact CE1-CG2 4.45Å; F350-R457 HydrophobicContact CE1-CG 3.67Å; F350-R457 HydrophobicContact CZ-CG 3.63Å; F350-V465 HydrophobicContact CE2-CG1 4.25Å; F350-V465 HydrophobicContact CZ-CG1 3.79Å; F350-V465 HydrophobicContact CZ-CG2 3.95Å; F350-L468 HydrophobicContact CE2-CB 4.46Å
351	L	86.1	Confident	78.9	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-72.7	-34.2	176.9	-64.9	170.7	0	0	0	112.4	I347 R348 P354 C355 K383 Y386 L453 I456	I347-L351 HydrophobicContact CG2-CD1 3.98Å; I347-L351 HydrophobicContact CG2-CG 4.46Å; I347-L351 WeakPolarHBondContact O-CG 3.41Å; I347-L351 PolarHBondContact O-N 3.39Å; R348-L351 PolarHBondContact O-N 3.34Å; L351-P354 WeakPolarHBondContact O-CD 3.34Å; L351-P354 WeakPolarHBondContact O-CG 3.46Å; L351-C355 PolarHBondContact O-SG 3.21Å; L351-K383 HydrophobicContact CB-CD 4.46Å; L351-K383 HydrophobicContact CB-CG 4.11Å; L351-Y386 HydrophobicContact CD1-CD1 3.18Å; L351-Y386 HydrophobicContact CD1-CD2 4.37Å; L351-Y386 HydrophobicContact CD1-CE1 3.58Å; L351-Y386 HydrophobicContact CD1-CG 3.64Å; L351-L453 HydrophobicContact CD2-CD1 4.28Å; L351-I456 HydrophobicContact CD2-CD1 3.91Å; L351-I456 HydrophobicContact CD2-CG2 3.84Å
352	N	86.1	Confident	78.6	Confident	51 Å²	51	80.9 Å²	80.9	27%	0.273	38%	0.383	S	S	.	.	H	α-helix	trans	-71	-42.9	178	-72.9	-25.7	0	0	0	112.6	R348 N349 C355 S356 K383	R348-N352 WeakPolarHBondContact O-CB 3.5Å; R348-N352 PolarHBondContact O-N 3.05Å; R348-N352 PolarHBondContact O-ND2 3.26Å; N349-N352 PolarHBondContact O-N 2.87Å; N352-C355 CarbonylContact O-C 3.56Å; N352-C355 WeakPolarHBondContact O-CA 3.18Å; N352-C355 WeakPolarHBondContact O-CB 3.48Å; N352-C355 PolarHBondContact O-N 3.03Å; N352-S356 WeakPolarHBondContact O-CB 3.45Å; N352-S356 PolarHBondContact O-N 2.99Å; N352-S356 PolarHBondContact O-OG 3.23Å; N352-K383 WeakPolarHBondContact OD1-CE 3.4Å; N352-K383 PolarHBondContact OD1-NZ 3.33Å
353	K	81.7	Confident	77.9	Confident	127 Å²	127	81.2 Å²	81.2	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-49.4	-49.7	-178.5	-82.6	176.3	-177.6	-171.7	0	115.2	N349 C355 L468	N349-K353 WeakPolarHBondContact O-CB 3.49Å; N349-K353 VanDerWaalsContact O-CG 3.25Å; N349-K353 WeakPolarHBondContact O-CG 3.48Å; N349-K353 PolarHBondContact O-N 3.43Å; K353-C355 VanDerWaalsContact C-N 3.29Å; K353-C355 PolarHBondContact O-N 2.74Å; K353-L468 HydrophobicContact CB-CD1 4.03Å; K353-L468 HydrophobicContact CB-CD2 4.15Å; K353-L468 HydrophobicContact CD-CD2 4.22Å
354	P	68.4	Low	77.3	Confident	8 Å²	8	81.1 Å²	81.1	5%	0.052	41%	0.407	C	S	.	.	H	α-helix	trans	-72.3	-21.9	177.7	25.9	-30	0	0	0	112.9	F350 L351 A379 K464 L468	F350-P354 WeakPolarHBondContact O-CD 3.43Å; F350-P354 WeakPolarHBondContact O-CG 3.37Å; L351-P354 WeakPolarHBondContact O-CD 3.34Å; L351-P354 WeakPolarHBondContact O-CG 3.46Å; P354-A379 HydrophobicContact CB-CB 4.28Å; P354-K464 HydrophobicContact CB-CB 3.91Å; P354-L468 HydrophobicContact CB-CD1 3.98Å; P354-L468 HydrophobicContact CG-CD1 3.97Å
355	C	63.4	Low	76.9	Confident	22 Å²	22	82.5 Å²	82.5	15%	0.149	42%	0.419	C	S	.	.	H	α-helix	trans	-85.8	-24.2	177.6	-60.1	0	0	0	0	113.7	L351 N352 K353 A379 R380 K383	L351-C355 PolarHBondContact O-SG 3.21Å; N352-C355 CarbonylContact O-C 3.56Å; N352-C355 WeakPolarHBondContact O-CA 3.18Å; N352-C355 WeakPolarHBondContact O-CB 3.48Å; N352-C355 PolarHBondContact O-N 3.03Å; K353-C355 VanDerWaalsContact C-N 3.29Å; K353-C355 PolarHBondContact O-N 2.74Å; C355-A379 VanDerWaalsContact SG-C 3.56Å; C355-A379 PolarHBondContact SG-O 2.75Å; C355-A379 VanDerWaalsContact SG-O 3.41Å; C355-R380 HydrophobicContact CB-CG 3.88Å; C355-K383 HydrophobicContact CB-CD 4.41Å
356	S	58.5	Low	76.5	Confident	83 Å²	83	80.8 Å²	80.8	58%	0.58	43%	0.426	S	S	*	.	S	Bend	trans	-94.9	-0.5	-170.2	-62.8	0	0	0	0	114.6	N352 P358	N352-S356 WeakPolarHBondContact O-CB 3.45Å; N352-S356 PolarHBondContact O-N 2.99Å; N352-S356 PolarHBondContact O-OG 3.23Å; S356-P358 WeakPolarHBondContact O-CD 3.49Å
357	Q	63.1	Low	76.1	Confident	143 Å²	143	84.5 Å²	84.5	67%	0.668	43%	0.434	S	S	*	.			trans	-120.7	83.4	-179.3	-70	-171.7	-10.2	0	0	110.6	K464	Q357-K464 PolarHBondContact O-NZ 2.85Å
358	P	65.5	Low	75.6	Confident	31 Å²	31	88.1 Å²	88.1	20%	0.201	45%	0.453	C	S	.	.			trans	-58.4	153.5	164.9	26.8	-33.2	0	0	0	109.6	S356 N360 E370	S356-P358 WeakPolarHBondContact O-CD 3.49Å; P358-N360 PolarHBondContact O-N 3.12Å; P358-E370 HydrophobicContact CB-CB 4.22Å; P358-E370 HydrophobicContact CG-CB 4.02Å; P358-E370 HydrophobicContact CG-CG 3.96Å
359	E	68.4	Low	75	Confident	64 Å²	64	86.6 Å²	86.6	30%	0.299	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.2	179.6	-66.2	-164.4	149.7	0	0	109.8	W361 M371 K467	E359-W361 VanDerWaalsContact O-CD1 3.22Å; E359-W361 PolarHBondContact O-N 3.49Å; E359-M371 PolarHBondContact N-O 3.31Å; E359-M371 VanDerWaalsContact N-O 3.11Å; E359-M371 PolarHBondContact O-N 3.36Å; E359-K467 IonicContact OE1-NZ 3.94Å
360	N	74.1	Confident	74.6	Confident	103 Å²	103	89.2 Å²	89.2	55%	0.551	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	108.4	178.3	-71.4	-27.1	0	0	0	109.5	P358 L368 E370	P358-N360 PolarHBondContact O-N 3.12Å; N360-L368 HydrophobicContact CB-CD2 4.35Å; N360-E370 VanDerWaalsContact OD1-CG 3.23Å; N360-E370 WeakPolarHBondContact OD1-CG 3.34Å
361	W	71.6	Confident	74.1	Confident	140 Å²	140	93.1 Å²	93.1	53%	0.53	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.2	176.6	-66.5	79.2	0	0	0	110	E359 L368 F369	E359-W361 VanDerWaalsContact O-CD1 3.22Å; E359-W361 PolarHBondContact O-N 3.49Å; W361-L368 CarbonylContact O-C 3.23Å; W361-L368 WeakPolarHBondContact O-CA 3.33Å; W361-F369 PolarHBondContact N-O 3.38Å; W361-F369 PolarHBondContact O-N 2.9Å
362	R	80.9	Confident	73.6	Confident	200 Å²	200	97.3 Å²	97.3	76%	0.755	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.7	170.7	-73	-176.8	-170.4	-133.6	3.6	109.4	L368	R362-L368 HydrophobicContact CG-CD2 3.46Å; R362-L368 VanDerWaalsContact CG-CD2 3.46Å; R362-L368 HydrophobicContact CG-CG 4.4Å
363	S	74.9	Confident	73.5	Confident	48 Å²	48	96 Å²	96	34%	0.336	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-67.8	159.1	166.9	179.8	0	0	0	0	110.7	T365 G366 R367	S363-T365 PolarHBondContact O-N 3.41Å; S363-T365 PolarHBondContact OG-OG1 3.1Å; S363-G366 PolarHBondContact O-N 3.11Å; S363-R367 PolarHBondContact N-O 2.96Å
364	A	72.4	Confident	73.6	Confident	111 Å²	111	96 Å²	96	92%	0.917	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.7	173.5	0	0	0	0	0	113.5
365	T	76.1	Confident	74.4	Confident	114 Å²	114	97.6 Å²	97.6	70%	0.699	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	2.6	176	56.5	0	0	0	0	114.1	S363	S363-T365 PolarHBondContact O-N 3.41Å; S363-T365 PolarHBondContact OG-OG1 3.1Å
366	G	79.3	Confident	75.3	Confident	52 Å²	52	96.7 Å²	96.7	54%	0.536	51%	0.511	S	S	.	.	S	Bend	trans	84.4	-0.8	179	0	0	0	0	0	115.9	S363	S363-G366 PolarHBondContact O-N 3.11Å
367	R	78	Confident	76.6	Confident	181 Å²	181	96.5 Å²	96.5	68%	0.683	51%	0.507	S	S	*	.			trans	-74.1	135.4	173.2	-70.2	-173.4	179.7	-170.3	0.9	111.4	S363 F369	S363-R367 PolarHBondContact N-O 2.96Å; R367-F369 HydrophobicContact CB-CE2 3.89Å; R367-F369 HydrophobicContact CB-CZ 4.38Å
368	L	77.8	Confident	77.8	Confident	104 Å²	104	93.1 Å²	93.1	55%	0.545	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.9	173.9	-69.1	162.7	0	0	0	109.5	N360 W361 R362	N360-L368 HydrophobicContact CB-CD2 4.35Å; W361-L368 CarbonylContact O-C 3.23Å; W361-L368 WeakPolarHBondContact O-CA 3.33Å; R362-L368 HydrophobicContact CG-CD2 3.46Å; R362-L368 VanDerWaalsContact CG-CD2 3.46Å; R362-L368 HydrophobicContact CG-CG 4.4Å
369	F	74.9	Confident	78.9	Confident	109 Å²	109	91.8 Å²	91.8	48%	0.478	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.3	172.3	-69.2	-83.9	0	0	0	109.5	W361 R367	W361-F369 PolarHBondContact N-O 3.38Å; W361-F369 PolarHBondContact O-N 2.9Å; R367-F369 HydrophobicContact CB-CE2 3.89Å; R367-F369 HydrophobicContact CB-CZ 4.38Å
370	E	79.1	Confident	79.8	Confident	145 Å²	145	92.6 Å²	92.6	68%	0.678	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.6	172.3	-73.6	175.2	-168.9	0	0	108.9	P358 N360	P358-E370 HydrophobicContact CB-CB 4.22Å; P358-E370 HydrophobicContact CG-CB 4.02Å; P358-E370 HydrophobicContact CG-CG 3.96Å; N360-E370 VanDerWaalsContact OD1-CG 3.23Å; N360-E370 WeakPolarHBondContact OD1-CG 3.34Å
371	M	74.9	Confident	80.5	Confident	114 Å²	114	89.7 Å²	89.7	56%	0.562	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.3	170.6	-81.6	-152.3	-106.2	0	0	111.2	E359	E359-M371 PolarHBondContact N-O 3.31Å; E359-M371 VanDerWaalsContact N-O 3.11Å; E359-M371 PolarHBondContact O-N 3.36Å
372	D	77.2	Confident	81.5	Confident	93 Å²	93	83.1 Å²	83.1	50%	0.497	45%	0.445	S	S	.	.			trans	-78.9	122.5	173.6	-75.7	-18.7	0	0	0	110.1	R380	D372-R380 IonicContact OD1-NH2 3.22Å; D372-R380 IonicContact OD2-CZ 3.91Å; D372-R380 VanDerWaalsContact OD2-CZ 3.25Å; D372-R380 IonicContact OD2-NH1 2.69Å; D372-R380 PolarHBondContact OD2-NH1 3.28Å; D372-R380 IonicContact OD2-NH2 2.77Å; D372-R380 PolarHBondContact OD2-NH2 3.04Å
373	S	82.4	Confident	81.9	Confident	23 Å²	23	76.1 Å²	76.1	16%	0.161	42%	0.42	C	S	.	.			trans	-84.4	160.9	171.2	72.1	0	0	0	0	111.5	P375 D376 V377	S373-P375 VanDerWaalsContact C-N 3.29Å; S373-P375 WeakPolarHBondContact OG-CD 3.36Å; S373-D376 WeakPolarHBondContact CB-OD2 3.42Å; S373-D376 PolarHBondContact N-OD2 3.45Å; S373-D376 WeakPolarHBondContact O-CA 3.47Å; S373-D376 VanDerWaalsContact O-CB 3.29Å; S373-D376 WeakPolarHBondContact O-CB 3.46Å; S373-D376 PolarHBondContact O-N 3.03Å; S373-D376 VanDerWaalsContact OG-CG 3.26Å; S373-D376 PolarHBondContact OG-N 3.13Å; S373-D376 PolarHBondContact OG-OD2 2.94Å; S373-V377 PolarHBondContact O-N 3.31Å; S373-V377 VanDerWaalsContact O-N 3.16Å
374	V	85.3	Confident	82.7	Confident	127 Å²	127	79 Å²	79	77%	0.77	43%	0.428	S	S	*	.	H	α-helix	trans	-53.6	-42.4	172.9	176.6	0	0	0	0	112	D376 V377 R378	V374-D376 VanDerWaalsContact C-N 3.3Å; V374-D376 PolarHBondContact O-N 3.19Å; V374-V377 PolarHBondContact O-N 3.48Å; V374-R378 PolarHBondContact O-N 2.85Å
375	P	84.1	Confident	83.7	Confident	43 Å²	43	74 Å²	74	28%	0.279	39%	0.386	S	S	.	.	H	α-helix	trans	-54.3	-36	167.8	-32.8	38.6	0	0	0	116.1	S373 R378 A379 P463 K464	S373-P375 VanDerWaalsContact C-N 3.29Å; S373-P375 WeakPolarHBondContact OG-CD 3.36Å; P375-R378 PolarHBondContact O-N 2.89Å; P375-A379 WeakPolarHBondContact O-CB 3.41Å; P375-A379 PolarHBondContact O-N 3.03Å; P375-P463 HydrophobicContact CB-CG 3.96Å; P375-P463 HydrophobicContact CG-CG 4.02Å; P375-K464 HydrophobicContact CB-CG 3.72Å
376	D	83.2	Confident	84.5	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.011	36%	0.357	C	S	.	.	H	α-helix	trans	-70.2	-41.2	179.8	-69.6	-50.2	0	0	0	112.4	S373 V374 R378 R380 K464	S373-D376 WeakPolarHBondContact CB-OD2 3.42Å; S373-D376 PolarHBondContact N-OD2 3.45Å; S373-D376 WeakPolarHBondContact O-CA 3.47Å; S373-D376 VanDerWaalsContact O-CB 3.29Å; S373-D376 WeakPolarHBondContact O-CB 3.46Å; S373-D376 PolarHBondContact O-N 3.03Å; S373-D376 VanDerWaalsContact OG-CG 3.26Å; S373-D376 PolarHBondContact OG-N 3.13Å; S373-D376 PolarHBondContact OG-OD2 2.94Å; V374-D376 VanDerWaalsContact C-N 3.3Å; V374-D376 PolarHBondContact O-N 3.19Å; D376-R378 VanDerWaalsContact C-N 3.33Å; D376-R380 WeakPolarHBondContact O-CG 3.32Å; D376-R380 PolarHBondContact O-N 3.3Å; D376-R380 VanDerWaalsContact O-N 3.11Å; D376-R380 PolarHBondContact O-NE 3.35Å; D376-K464 VanDerWaalsContact OD1-CD 3.3Å; D376-K464 WeakPolarHBondContact OD1-CD 3.31Å; D376-K464 WeakPolarHBondContact OD1-CE 3.35Å; D376-K464 IonicContact OD1-NZ 3.02Å; D376-K464 PolarHBondContact OD1-NZ 2.81Å; D376-K464 IonicContact OD2-NZ 3.25Å; D376-K464 PolarHBondContact OD2-NZ 3.17Å; D376-K464 VanDerWaalsContact OD2-NZ 3.13Å
377	V	86.1	Confident	85.1	Confident	80 Å²	80	69.7 Å²	69.7	49%	0.485	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-44.8	173.9	-178.7	0	0	0	0	109.7	S373 V374 R380 A381	S373-V377 PolarHBondContact O-N 3.31Å; S373-V377 VanDerWaalsContact O-N 3.16Å; V374-V377 PolarHBondContact O-N 3.48Å; V377-R380 PolarHBondContact O-N 3.31Å; V377-A381 PolarHBondContact O-N 3.07Å
378	R	87.5	Confident	85.7	Confident	72 Å²	72	62.2 Å²	62.2	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-43	178.1	-170.9	169.3	-179	104.2	5.2	112.5	V374 P375 D376 R380 A381 L382 E412 H413 F461	V374-R378 PolarHBondContact O-N 2.85Å; P375-R378 PolarHBondContact O-N 2.89Å; D376-R378 VanDerWaalsContact C-N 3.33Å; R378-R380 VanDerWaalsContact C-N 3.33Å; R378-R380 PolarHBondContact O-N 3.03Å; R378-A381 PolarHBondContact O-N 3.44Å; R378-L382 HydrophobicContact CG-CD1 4.3Å; R378-L382 WeakPolarHBondContact O-CG 3.48Å; R378-L382 PolarHBondContact O-N 3.24Å; R378-E412 IonicContact CZ-OE2 2.79Å; R378-E412 IonicContact NH1-OE2 3.62Å; R378-E412 PolarHBondContact NH1-OE2 3.22Å; R378-E412 IonicContact NH2-OE2 3.7Å; R378-E412 PolarHBondContact NH2-OE2 2.97Å; R378-H413 PolarHBondContact NH2-NE2 3.41Å; R378-F461 PolarHBondContact NE-O 2.88Å
379	A	87.7	Confident	86.3	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-40.7	177.4	0	0	0	0	0	112.2	P354 C355 P375 K383	P354-A379 HydrophobicContact CB-CB 4.28Å; C355-A379 VanDerWaalsContact SG-C 3.56Å; C355-A379 PolarHBondContact SG-O 2.75Å; C355-A379 VanDerWaalsContact SG-O 3.41Å; P375-A379 WeakPolarHBondContact O-CB 3.41Å; P375-A379 PolarHBondContact O-N 3.03Å; A379-K383 WeakPolarHBondContact O-CB 3.48Å; A379-K383 PolarHBondContact O-N 2.93Å
380	R	88.5	Confident	87	Confident	82 Å²	82	54.4 Å²	54.4	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-47.1	174.4	-78	179.4	-70.1	176.5	-4.8	112.2	C355 D372 D376 V377 R378 L382 K383 E384	C355-R380 HydrophobicContact CB-CG 3.88Å; D372-R380 IonicContact OD1-NH2 3.22Å; D372-R380 IonicContact OD2-CZ 3.91Å; D372-R380 VanDerWaalsContact OD2-CZ 3.25Å; D372-R380 IonicContact OD2-NH1 2.69Å; D372-R380 PolarHBondContact OD2-NH1 3.28Å; D372-R380 IonicContact OD2-NH2 2.77Å; D372-R380 PolarHBondContact OD2-NH2 3.04Å; D376-R380 WeakPolarHBondContact O-CG 3.32Å; D376-R380 PolarHBondContact O-N 3.3Å; D376-R380 VanDerWaalsContact O-N 3.11Å; D376-R380 PolarHBondContact O-NE 3.35Å; V377-R380 PolarHBondContact O-N 3.31Å; R378-R380 VanDerWaalsContact C-N 3.33Å; R378-R380 PolarHBondContact O-N 3.03Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-L382 PolarHBondContact O-N 3.34Å; R380-K383 WeakPolarHBondContact O-CB 3.43Å; R380-K383 PolarHBondContact O-N 3.35Å; R380-K383 VanDerWaalsContact O-N 3.15Å; R380-E384 WeakPolarHBondContact O-CG 3.47Å; R380-E384 PolarHBondContact O-N 3.24Å
381	A	89.6	Confident	87.5	Confident	41 Å²	41	52.3 Å²	52.3	34%	0.339	27%	0.274	S	S	.	.	H	α-helix	trans	-58.7	-44.7	177.3	0	0	0	0	0	112.1	V377 R378 K383 E384 I385	V377-A381 PolarHBondContact O-N 3.07Å; R378-A381 PolarHBondContact O-N 3.44Å; A381-K383 VanDerWaalsContact C-N 3.33Å; A381-K383 PolarHBondContact O-N 3.48Å; A381-E384 PolarHBondContact O-N 3.01Å; A381-I385 WeakPolarHBondContact O-CD1 3.44Å; A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.46Å; A381-I385 PolarHBondContact O-N 3.26Å
382	L	90.8	Very high	87.8	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-37.3	176.8	-71.1	175.4	0	0	0	112.7	R378 R380 Y386 T409 F452 Y455 I456 N462	R378-L382 HydrophobicContact CG-CD1 4.3Å; R378-L382 WeakPolarHBondContact O-CG 3.48Å; R378-L382 PolarHBondContact O-N 3.24Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-L382 PolarHBondContact O-N 3.34Å; L382-Y386 PolarHBondContact O-N 3.44Å; L382-T409 HydrophobicContact CD2-CG2 3.97Å; L382-F452 HydrophobicContact CD2-CE2 4.29Å; L382-F452 HydrophobicContact CD2-CZ 4.03Å; L382-Y455 HydrophobicContact CD2-CE1 4.03Å; L382-I456 HydrophobicContact CB-CD1 4.42Å; L382-I456 HydrophobicContact CB-CG1 4.25Å; L382-N462 HydrophobicContact CD1-CB 4.04Å
383	K	91	Very high	88	Confident	52 Å²	52	53.5 Å²	53.5	23%	0.226	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-47.3	174.3	174.8	-171.2	163.1	-165.5	0	111.2	L351 N352 C355 A379 R380 A381 I385 Y386 D387	L351-K383 HydrophobicContact CB-CD 4.46Å; L351-K383 HydrophobicContact CB-CG 4.11Å; N352-K383 WeakPolarHBondContact OD1-CE 3.4Å; N352-K383 PolarHBondContact OD1-NZ 3.33Å; C355-K383 HydrophobicContact CB-CD 4.41Å; A379-K383 WeakPolarHBondContact O-CB 3.48Å; A379-K383 PolarHBondContact O-N 2.93Å; R380-K383 WeakPolarHBondContact O-CB 3.43Å; R380-K383 PolarHBondContact O-N 3.35Å; R380-K383 VanDerWaalsContact O-N 3.15Å; A381-K383 VanDerWaalsContact C-N 3.33Å; A381-K383 PolarHBondContact O-N 3.48Å; K383-I385 VanDerWaalsContact C-N 3.3Å; K383-I385 PolarHBondContact O-N 3.2Å; K383-Y386 WeakPolarHBondContact O-CB 3.06Å; K383-Y386 PolarHBondContact O-N 3.29Å; K383-Y386 VanDerWaalsContact O-N 3.08Å; K383-D387 WeakPolarHBondContact CE-OD2 3.48Å; K383-D387 PolarHBondContact O-N 2.93Å
384	E	91.9	Very high	88.1	Confident	109 Å²	109	54 Å²	54	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-45	178.9	-73.5	173.2	-171	0	0	111.3	R380 A381 Y386 D387 D388	R380-E384 WeakPolarHBondContact O-CG 3.47Å; R380-E384 PolarHBondContact O-N 3.24Å; A381-E384 PolarHBondContact O-N 3.01Å; E384-Y386 VanDerWaalsContact C-N 3.3Å; E384-Y386 PolarHBondContact O-N 3.4Å; E384-D387 PolarHBondContact O-N 2.89Å; E384-D388 WeakPolarHBondContact O-CB 3.43Å; E384-D388 VanDerWaalsContact O-CG 3.24Å; E384-D388 PolarHBondContact O-N 3.39Å
385	I	92.2	Very high	88.2	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-42.2	175.4	-66.3	163.9	0	0	0	110.6	A381 K383 D388 I389 K405 L406 T409 F452	A381-I385 WeakPolarHBondContact O-CD1 3.44Å; A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.46Å; A381-I385 PolarHBondContact O-N 3.26Å; K383-I385 VanDerWaalsContact C-N 3.3Å; K383-I385 PolarHBondContact O-N 3.2Å; I385-D388 PolarHBondContact O-N 3.45Å; I385-I389 HydrophobicContact CG2-CD1 3.52Å; I385-I389 HydrophobicContact CG2-CG1 4.35Å; I385-I389 WeakPolarHBondContact O-CD1 3.35Å; I385-I389 WeakPolarHBondContact O-CG1 3.41Å; I385-I389 PolarHBondContact O-N 2.98Å; I385-K405 HydrophobicContact CG1-CD 4.11Å; I385-K405 HydrophobicContact CG1-CG 4.17Å; I385-L406 HydrophobicContact CG2-CB 4.18Å; I385-L406 HydrophobicContact CG2-CD1 3.97Å; I385-T409 HydrophobicContact CD1-CG2 3.77Å; I385-T409 VanDerWaalsContact CD1-OG1 3.25Å; I385-T409 WeakPolarHBondContact CD1-OG1 3.47Å; I385-F452 HydrophobicContact CB-CE1 4.08Å; I385-F452 HydrophobicContact CB-CZ 4.05Å; I385-F452 HydrophobicContact CG2-CE1 3.61Å; I385-F452 HydrophobicContact CG2-CZ 3.59Å
386	Y	92.9	Very high	88.3	Confident	24 Å²	24	53.2 Å²	53.2	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-45.8	177.2	-175.5	-87.6	0	0	0	111.7	I347 L351 L382 K383 E384 D388 I389 S390 F452 L453 I456	I347-Y386 HydrophobicContact CG2-CE1 3.87Å; I347-Y386 WeakPolarHBondContact CG2-OH 3.25Å; L351-Y386 HydrophobicContact CD1-CD1 3.18Å; L351-Y386 HydrophobicContact CD1-CD2 4.37Å; L351-Y386 HydrophobicContact CD1-CE1 3.58Å; L351-Y386 HydrophobicContact CD1-CG 3.64Å; L382-Y386 PolarHBondContact O-N 3.44Å; K383-Y386 WeakPolarHBondContact O-CB 3.06Å; K383-Y386 PolarHBondContact O-N 3.29Å; K383-Y386 VanDerWaalsContact O-N 3.08Å; E384-Y386 VanDerWaalsContact C-N 3.3Å; E384-Y386 PolarHBondContact O-N 3.4Å; Y386-D388 VanDerWaalsContact C-N 3.27Å; Y386-D388 PolarHBondContact O-N 2.94Å; Y386-I389 PolarHBondContact O-N 3.33Å; Y386-S390 VanDerWaalsContact O-CB 3.28Å; Y386-S390 WeakPolarHBondContact O-CB 3.42Å; Y386-S390 PolarHBondContact O-N 3.4Å; Y386-S390 PolarHBondContact O-OG 3.31Å; Y386-F452 AromaticContact CD2-CD1 3.87Å; Y386-F452 HydrophobicContact CD2-CD1 3.87Å; Y386-F452 HydrophobicContact CD2-CE1 4.4Å; Y386-L453 HydrophobicContact CE2-CB 3.97Å; Y386-L453 HydrophobicContact CE2-CD1 4.21Å; Y386-I456 HydrophobicContact CD2-CD1 4.08Å; Y386-I456 HydrophobicContact CG-CD1 4.37Å
387	D	91.5	Very high	88.5	Confident	52 Å²	52	60.3 Å²	60.3	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-38.8	178.2	-71.4	-21.5	0	0	0	110.5	K383 E384 S390 K391	K383-D387 WeakPolarHBondContact CE-OD2 3.48Å; K383-D387 PolarHBondContact O-N 2.93Å; E384-D387 PolarHBondContact O-N 2.89Å; D387-S390 PolarHBondContact O-OG 3.43Å; D387-K391 WeakPolarHBondContact O-CG 3.5Å
388	D	91.1	Very high	88.6	Confident	25 Å²	25	61.8 Å²	61.8	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-46.5	175.8	-70.4	-23.4	0	0	0	112.7	E384 I385 Y386 S390 K391 F402 K405	E384-D388 WeakPolarHBondContact O-CB 3.43Å; E384-D388 VanDerWaalsContact O-CG 3.24Å; E384-D388 PolarHBondContact O-N 3.39Å; I385-D388 PolarHBondContact O-N 3.45Å; Y386-D388 VanDerWaalsContact C-N 3.27Å; Y386-D388 PolarHBondContact O-N 2.94Å; D388-S390 VanDerWaalsContact C-N 3.29Å; D388-S390 PolarHBondContact O-N 3.34Å; D388-K391 PolarHBondContact O-N 3.47Å; D388-K391 IonicContact OD1-NZ 3.93Å; D388-K391 PolarHBondContact OD1-NZ 3.4Å; D388-F402 HydrophobicContact CB-CB 4.39Å; D388-F402 HydrophobicContact CB-CD1 3.78Å; D388-F402 HydrophobicContact CB-CD2 4.11Å; D388-F402 HydrophobicContact CB-CE1 4.02Å; D388-F402 HydrophobicContact CB-CE2 4.33Å; D388-F402 HydrophobicContact CB-CG 3.85Å; D388-F402 HydrophobicContact CB-CZ 4.29Å; D388-F402 WeakPolarHBondContact O-CD2 3.36Å; D388-K405 IonicContact OD2-NZ 3.66Å; D388-K405 PolarHBondContact OD2-NZ 3.27Å
389	I	91.4	Very high	88.8	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-70.3	-28.2	179.4	-57	150.9	0	0	0	111.5	I385 Y386 K391 R399 L406 I448 F452	I385-I389 HydrophobicContact CG2-CD1 3.52Å; I385-I389 HydrophobicContact CG2-CG1 4.35Å; I385-I389 WeakPolarHBondContact O-CD1 3.35Å; I385-I389 WeakPolarHBondContact O-CG1 3.41Å; I385-I389 PolarHBondContact O-N 2.98Å; Y386-I389 PolarHBondContact O-N 3.33Å; I389-K391 PolarHBondContact O-N 2.96Å; I389-R399 PolarHBondContact O-NH1 2.96Å; I389-L406 HydrophobicContact CD1-CB 3.95Å; I389-L406 HydrophobicContact CD1-CD1 3.71Å; I389-L406 HydrophobicContact CD1-CD2 3.56Å; I389-L406 HydrophobicContact CD1-CG 3.91Å; I389-L406 HydrophobicContact CG1-CB 4.49Å; I389-L406 HydrophobicContact CG1-CD2 4.26Å; I389-I448 HydrophobicContact CG2-CG2 4.1Å; I389-F452 HydrophobicContact CD1-CD1 3.74Å; I389-F452 HydrophobicContact CD1-CE1 3.98Å; I389-F452 HydrophobicContact CD1-CG 4.37Å
390	S	89.3	Confident	88.9	Confident	48 Å²	48	63.4 Å²	63.4	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-69.7	-16.8	178.9	76.6	0	0	0	0	113.7	Y386 D387 D388 F392	Y386-S390 VanDerWaalsContact O-CB 3.28Å; Y386-S390 WeakPolarHBondContact O-CB 3.42Å; Y386-S390 PolarHBondContact O-N 3.4Å; Y386-S390 PolarHBondContact O-OG 3.31Å; D387-S390 PolarHBondContact O-OG 3.43Å; D388-S390 VanDerWaalsContact C-N 3.29Å; D388-S390 PolarHBondContact O-N 3.34Å; S390-F392 PolarHBondContact O-N 3.34Å
391	K	88.3	Confident	89.1	Confident	101 Å²	101	64.8 Å²	64.8	44%	0.439	32%	0.318	S	S	.	.			trans	-79	106.5	175.6	-63.2	162.4	-168	161.7	0	109.4	D387 D388 I389 V394	D387-K391 WeakPolarHBondContact O-CG 3.5Å; D388-K391 PolarHBondContact O-N 3.47Å; D388-K391 IonicContact OD1-NZ 3.93Å; D388-K391 PolarHBondContact OD1-NZ 3.4Å; I389-K391 PolarHBondContact O-N 2.96Å; K391-V394 HydrophobicContact CB-CG2 3.5Å; K391-V394 VanDerWaalsContact CB-CG2 3.5Å; K391-V394 WeakPolarHBondContact O-CG2 3.48Å
392	F	83	Confident	89.3	Confident	60 Å²	60	64.2 Å²	64.2	26%	0.263	31%	0.308	S	S	.	.			trans	-90.8	-15.5	-179.6	-58.2	-26.4	0	0	0	114.3	S390 R445 K446	S390-F392 PolarHBondContact O-N 3.34Å; F392-R445 HydrophobicContact CD1-CB 3.9Å; F392-R445 HydrophobicContact CD1-CG 4.43Å; F392-R445 HydrophobicContact CE1-CB 3.64Å; F392-R445 HydrophobicContact CZ-CB 4.17Å; F392-R445 PolarHBondContact O-NH1 2.76Å; F392-K446 HydrophobicContact CE2-CG 4.1Å; F392-K446 HydrophobicContact CZ-CG 4.08Å
393	L	80.4	Confident	89.3	Confident	172 Å²	172	64.1 Å²	64.1	90%	0.901	31%	0.308	S	S	*	.	S	Bend	trans	-105.9	75.3	-179.7	-62.4	174.5	0	0	0	109.1
394	V	84	Confident	89.4	Confident	33 Å²	33	66.7 Å²	66.7	20%	0.2	32%	0.321	C	S	.	.	S	Bend	trans	-139	151.3	-174.5	-169.8	0	0	0	0	108.1	K391 E398 F402	K391-V394 HydrophobicContact CB-CG2 3.5Å; K391-V394 VanDerWaalsContact CB-CG2 3.5Å; K391-V394 WeakPolarHBondContact O-CG2 3.48Å; V394-E398 HydrophobicContact CG1-CB 3.45Å; V394-E398 VanDerWaalsContact CG1-CB 3.45Å; V394-E398 HydrophobicContact CG1-CG 4.38Å; V394-E398 WeakPolarHBondContact CG1-OE2 3.31Å; V394-F402 HydrophobicContact CG1-CE2 3.96Å; V394-F402 HydrophobicContact CG2-CE2 4.39Å
395	D	88	Confident	89.4	Confident	89 Å²	89	64.8 Å²	64.8	48%	0.476	31%	0.311	S	S	.	.			trans	-58.2	151.4	173.9	-177	47.8	0	0	0	112.1	Q397 E398 R399	D395-Q397 PolarHBondContact O-N 2.9Å; D395-Q397 WeakPolarHBondContact OD2-CB 3.28Å; D395-Q397 PolarHBondContact OD2-N 2.91Å; D395-E398 PolarHBondContact O-N 3.21Å; D395-R399 WeakPolarHBondContact O-CB 3.2Å; D395-R399 PolarHBondContact O-N 2.86Å
396	Q	85.4	Confident	89.5	Confident	65 Å²	65	64.5 Å²	64.5	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-35.5	-177.7	-69.2	-170.8	0.9	0	0	112.2	R400 M432 D435	Q396-R400 VanDerWaalsContact O-CG 3.31Å; Q396-R400 WeakPolarHBondContact O-CG 3.21Å; Q396-R400 PolarHBondContact O-N 3.44Å; Q396-M432 HydrophobicContact CB-CE 3.82Å; Q396-M432 HydrophobicContact CG-CE 4.07Å; Q396-M432 WeakPolarHBondContact O-CE 3.35Å; Q396-D435 PolarHBondContact NE2-OD1 3.22Å
397	Q	87.2	Confident	89.4	Confident	150 Å²	150	67.7 Å²	67.7	70%	0.701	32%	0.321	S	S	*	.	H	α-helix	trans	-70.4	-46.6	-179.1	-62.1	-173.2	-5.8	0	0	111.7	D395 R399 R400 H401	D395-Q397 PolarHBondContact O-N 2.9Å; D395-Q397 WeakPolarHBondContact OD2-CB 3.28Å; D395-Q397 PolarHBondContact OD2-N 2.91Å; Q397-R399 VanDerWaalsContact C-N 3.31Å; Q397-R399 PolarHBondContact O-N 2.88Å; Q397-R400 PolarHBondContact O-N 3.37Å; Q397-H401 PolarHBondContact O-N 3.14Å
398	E	89.1	Confident	89.4	Confident	111 Å²	111	69.2 Å²	69.2	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-39.9	175.4	-72.6	-177.4	173.7	0	0	111.3	V394 D395 H401 F402	V394-E398 HydrophobicContact CG1-CB 3.45Å; V394-E398 VanDerWaalsContact CG1-CB 3.45Å; V394-E398 HydrophobicContact CG1-CG 4.38Å; V394-E398 WeakPolarHBondContact CG1-OE2 3.31Å; D395-E398 PolarHBondContact O-N 3.21Å; E398-H401 WeakPolarHBondContact O-CB 3.33Å; E398-H401 PolarHBondContact O-N 2.93Å; E398-F402 WeakPolarHBondContact O-CG 3.46Å; E398-F402 PolarHBondContact O-N 3.09Å
399	R	91.1	Very high	89.3	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.011	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-42.4	176.3	179	61.7	179	-178.7	9.2	112.2	I389 D395 Q397 H401 F402 L403 E428 M432	I389-R399 PolarHBondContact O-NH1 2.96Å; D395-R399 WeakPolarHBondContact O-CB 3.2Å; D395-R399 PolarHBondContact O-N 2.86Å; Q397-R399 VanDerWaalsContact C-N 3.31Å; Q397-R399 PolarHBondContact O-N 2.88Å; R399-H401 VanDerWaalsContact C-N 3.29Å; R399-H401 PolarHBondContact O-N 3.45Å; R399-F402 PolarHBondContact O-N 2.89Å; R399-L403 HydrophobicContact CG-CD1 4.38Å; R399-L403 WeakPolarHBondContact O-CG 3.47Å; R399-L403 PolarHBondContact O-N 3.33Å; R399-E428 IonicContact CZ-OE1 2.79Å; R399-E428 IonicContact CZ-OE2 3.4Å; R399-E428 IonicContact NE-OE1 2.67Å; R399-E428 PolarHBondContact NE-OE1 3.38Å; R399-E428 IonicContact NE-OE2 3.6Å; R399-E428 IonicContact NH2-OE1 2.74Å; R399-E428 PolarHBondContact NH2-OE1 3.28Å; R399-E428 IonicContact NH2-OE2 2.95Å; R399-E428 PolarHBondContact NH2-OE2 3.22Å; R399-M432 HydrophobicContact CB-CE 3.91Å; R399-M432 HydrophobicContact CG-CE 3.83Å; R399-M432 HydrophobicContact CG-SD 3.84Å
400	R	90.3	Very high	89.2	Confident	106 Å²	106	69.3 Å²	69.3	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-42	174.3	-74	175.8	-165.9	169	7.9	111.2	Q396 Q397 F402 L403 E404 M432	Q396-R400 VanDerWaalsContact O-CG 3.31Å; Q396-R400 WeakPolarHBondContact O-CG 3.21Å; Q396-R400 PolarHBondContact O-N 3.44Å; Q397-R400 PolarHBondContact O-N 3.37Å; R400-F402 PolarHBondContact O-N 3.34Å; R400-L403 PolarHBondContact O-N 3Å; R400-E404 WeakPolarHBondContact O-CB 3.3Å; R400-E404 PolarHBondContact O-N 3.42Å; R400-M432 HydrophobicContact CG-CE 4.11Å
401	H	92.3	Very high	89.2	Confident	110 Å²	110	71.2 Å²	71.2	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.2	-177.9	65.6	0	0	0	112.6	Q397 E398 R399 L403 E404 K405	Q397-H401 PolarHBondContact O-N 3.14Å; E398-H401 WeakPolarHBondContact O-CB 3.33Å; E398-H401 PolarHBondContact O-N 2.93Å; R399-H401 VanDerWaalsContact C-N 3.29Å; R399-H401 PolarHBondContact O-N 3.45Å; H401-L403 PolarHBondContact O-N 3.48Å; H401-E404 PolarHBondContact O-N 3.27Å; H401-K405 WeakPolarHBondContact O-CB 3.44Å; H401-K405 PolarHBondContact O-N 3.42Å
402	F	93.2	Very high	89	Confident	30 Å²	30	71.7 Å²	71.7	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-40.5	176	-61.6	-26.4	0	0	0	112.8	D388 V394 E398 R399 R400 K405 L406	D388-F402 HydrophobicContact CB-CB 4.39Å; D388-F402 HydrophobicContact CB-CD1 3.78Å; D388-F402 HydrophobicContact CB-CD2 4.11Å; D388-F402 HydrophobicContact CB-CE1 4.02Å; D388-F402 HydrophobicContact CB-CE2 4.33Å; D388-F402 HydrophobicContact CB-CG 3.85Å; D388-F402 HydrophobicContact CB-CZ 4.29Å; D388-F402 WeakPolarHBondContact O-CD2 3.36Å; V394-F402 HydrophobicContact CG1-CE2 3.96Å; V394-F402 HydrophobicContact CG2-CE2 4.39Å; E398-F402 WeakPolarHBondContact O-CG 3.46Å; E398-F402 PolarHBondContact O-N 3.09Å; R399-F402 PolarHBondContact O-N 2.89Å; R400-F402 PolarHBondContact O-N 3.34Å; F402-K405 PolarHBondContact O-N 2.67Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 PolarHBondContact O-N 2.85Å
403	L	92.3	Very high	89	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-38.4	176.7	-69.7	174.7	0	0	0	112.2	R399 R400 H401 L406 R407 I425 E428 M429 M432	R399-L403 HydrophobicContact CG-CD1 4.38Å; R399-L403 WeakPolarHBondContact O-CG 3.47Å; R399-L403 PolarHBondContact O-N 3.33Å; R400-L403 PolarHBondContact O-N 3Å; H401-L403 PolarHBondContact O-N 3.48Å; L403-L406 WeakPolarHBondContact O-CB 3.5Å; L403-L406 PolarHBondContact O-N 2.78Å; L403-R407 WeakPolarHBondContact O-CB 3.39Å; L403-R407 PolarHBondContact O-N 3.15Å; L403-I425 HydrophobicContact CB-CG2 4Å; L403-I425 HydrophobicContact CD2-CG1 4.23Å; L403-I425 HydrophobicContact CD2-CG2 4.43Å; L403-E428 HydrophobicContact CD1-CB 4.07Å; L403-E428 HydrophobicContact CD1-CG 4Å; L403-E428 WeakPolarHBondContact CD2-OE2 3.5Å; L403-M429 HydrophobicContact CD1-CG 4.14Å; L403-M432 HydrophobicContact CD1-SD 4.44Å
404	E	92.7	Very high	89.1	Confident	106 Å²	106	72 Å²	72	50%	0.495	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-43.2	175.4	-172.1	170	-151.7	0	0	111.7	R400 H401 L406 R407 N408	R400-E404 WeakPolarHBondContact O-CB 3.3Å; R400-E404 PolarHBondContact O-N 3.42Å; H401-E404 PolarHBondContact O-N 3.27Å; E404-L406 VanDerWaalsContact C-N 3.32Å; E404-L406 PolarHBondContact O-N 3.03Å; E404-R407 WeakPolarHBondContact O-CB 3.46Å; E404-R407 PolarHBondContact O-N 3.37Å; E404-N408 VanDerWaalsContact O-CG 3.26Å; E404-N408 PolarHBondContact O-N 3.45Å; E404-N408 PolarHBondContact O-ND2 2.98Å
405	K	92.6	Very high	89.2	Confident	69 Å²	69	72.2 Å²	72.2	30%	0.3	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-43.3	173.3	-173.6	-177.5	177	-172.5	0	111.6	I385 D388 H401 F402 T409	I385-K405 HydrophobicContact CG1-CD 4.11Å; I385-K405 HydrophobicContact CG1-CG 4.17Å; D388-K405 IonicContact OD2-NZ 3.66Å; D388-K405 PolarHBondContact OD2-NZ 3.27Å; H401-K405 WeakPolarHBondContact O-CB 3.44Å; H401-K405 PolarHBondContact O-N 3.42Å; F402-K405 PolarHBondContact O-N 2.67Å; K405-T409 PolarHBondContact O-N 3.27Å; K405-T409 PolarHBondContact O-OG1 3.4Å
406	L	93.1	Very high	89.3	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-50.9	173.9	174	62.4	0	0	0	111.4	I385 I389 F402 L403 E404 N408 T409 V410 I421 I425 I448 F452	I385-L406 HydrophobicContact CG2-CB 4.18Å; I385-L406 HydrophobicContact CG2-CD1 3.97Å; I389-L406 HydrophobicContact CD1-CB 3.95Å; I389-L406 HydrophobicContact CD1-CD1 3.71Å; I389-L406 HydrophobicContact CD1-CD2 3.56Å; I389-L406 HydrophobicContact CD1-CG 3.91Å; I389-L406 HydrophobicContact CG1-CB 4.49Å; I389-L406 HydrophobicContact CG1-CD2 4.26Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 PolarHBondContact O-N 2.85Å; L403-L406 WeakPolarHBondContact O-CB 3.5Å; L403-L406 PolarHBondContact O-N 2.78Å; E404-L406 VanDerWaalsContact C-N 3.32Å; E404-L406 PolarHBondContact O-N 3.03Å; L406-N408 VanDerWaalsContact C-N 3.33Å; L406-N408 PolarHBondContact O-N 3.09Å; L406-T409 PolarHBondContact O-N 3.26Å; L406-T409 VanDerWaalsContact O-N 3.14Å; L406-V410 HydrophobicContact CD1-CG2 3.61Å; L406-V410 HydrophobicContact CG-CG2 4.33Å; L406-V410 WeakPolarHBondContact O-CG2 3.29Å; L406-V410 PolarHBondContact O-N 3.08Å; L406-I421 HydrophobicContact CD2-CG2 4.23Å; L406-I425 HydrophobicContact CB-CD1 4.43Å; L406-I425 HydrophobicContact CD2-CD1 3.54Å; L406-I425 HydrophobicContact CD2-CG1 4Å; L406-I425 HydrophobicContact CG-CD1 3.82Å; L406-I448 HydrophobicContact CD2-CG2 3.82Å; L406-F452 HydrophobicContact CD1-CB 4.48Å; L406-F452 HydrophobicContact CD1-CD1 4.1Å; L406-F452 HydrophobicContact CD1-CD2 3.29Å; L406-F452 HydrophobicContact CD1-CE1 4.14Å; L406-F452 HydrophobicContact CD1-CE2 3.33Å; L406-F452 HydrophobicContact CD1-CG 3.71Å; L406-F452 HydrophobicContact CD1-CZ 3.79Å
407	R	92.1	Very high	89.5	Confident	91 Å²	91	73.4 Å²	73.4	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-54.2	-50.6	-179.3	-170.4	-172.2	-172.1	-143.1	4.3	110.9	L403 E404 T409 V410 M411 I425	L403-R407 WeakPolarHBondContact O-CB 3.39Å; L403-R407 PolarHBondContact O-N 3.15Å; E404-R407 WeakPolarHBondContact O-CB 3.46Å; E404-R407 PolarHBondContact O-N 3.37Å; R407-T409 VanDerWaalsContact C-N 3.29Å; R407-T409 PolarHBondContact O-N 2.92Å; R407-V410 PolarHBondContact O-N 2.81Å; R407-M411 HydrophobicContact CG-CE 4.02Å; R407-M411 HydrophobicContact CG-CG 4.47Å; R407-M411 HydrophobicContact CG-SD 4.2Å; R407-M411 WeakPolarHBondContact O-CB 3.36Å; R407-M411 VanDerWaalsContact O-CG 3.29Å; R407-M411 WeakPolarHBondContact O-CG 3.26Å; R407-M411 PolarHBondContact O-N 3.28Å; R407-I425 HydrophobicContact CB-CD1 4.29Å
408	N	90.6	Very high	89.7	Confident	84 Å²	84	66.4 Å²	66.4	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-37.6	-179.5	-66.6	-18.6	0	0	0	112.6	E404 L406 M411	E404-N408 VanDerWaalsContact O-CG 3.26Å; E404-N408 PolarHBondContact O-N 3.45Å; E404-N408 PolarHBondContact O-ND2 2.98Å; L406-N408 VanDerWaalsContact C-N 3.33Å; L406-N408 PolarHBondContact O-N 3.09Å; N408-M411 VanDerWaalsContact OD1-CE 3.3Å; N408-M411 WeakPolarHBondContact OD1-CE 3.42Å
409	T	89.6	Confident	89.8	Confident	28 Å²	28	69 Å²	69	17%	0.172	32%	0.315	C	S	.	.	H	α-helix	trans	-73.3	-33.4	-179.8	-52.7	0	0	0	0	112.8	L382 I385 K405 L406 R407	L382-T409 HydrophobicContact CD2-CG2 3.97Å; I385-T409 HydrophobicContact CD1-CG2 3.77Å; I385-T409 VanDerWaalsContact CD1-OG1 3.25Å; I385-T409 WeakPolarHBondContact CD1-OG1 3.47Å; K405-T409 PolarHBondContact O-N 3.27Å; K405-T409 PolarHBondContact O-OG1 3.4Å; L406-T409 PolarHBondContact O-N 3.26Å; L406-T409 VanDerWaalsContact O-N 3.14Å; R407-T409 VanDerWaalsContact C-N 3.29Å; R407-T409 PolarHBondContact O-N 2.92Å
410	V	89.1	Confident	89.9	Confident	0 Å²	0	72 Å²	72	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-85.4	-28.8	-176.3	178.8	0	0	0	0	111.2	L406 R407 E412 H413 V418 I421 F452 Y455	L406-V410 HydrophobicContact CD1-CG2 3.61Å; L406-V410 HydrophobicContact CG-CG2 4.33Å; L406-V410 WeakPolarHBondContact O-CG2 3.29Å; L406-V410 PolarHBondContact O-N 3.08Å; R407-V410 PolarHBondContact O-N 2.81Å; V410-E412 PolarHBondContact O-N 3.09Å; V410-E412 VanDerWaalsContact O-N 3.09Å; V410-H413 PolarHBondContact O-N 3.04Å; V410-V418 HydrophobicContact CG1-CB 3.8Å; V410-V418 HydrophobicContact CG1-CG1 3.68Å; V410-V418 HydrophobicContact CG1-CG2 3.47Å; V410-V418 VanDerWaalsContact CG1-CG2 3.47Å; V410-I421 HydrophobicContact CG1-CD1 4.28Å; V410-I421 HydrophobicContact CG1-CG2 4.43Å; V410-F452 HydrophobicContact CG2-CD2 4.14Å; V410-F452 HydrophobicContact CG2-CE2 3.99Å; V410-Y455 HydrophobicContact CG1-CD2 4.45Å; V410-Y455 HydrophobicContact CG1-CE2 4.25Å; V410-Y455 HydrophobicContact CG2-CE1 4.33Å
411	M	87.9	Confident	90	Very high	88 Å²	88	67 Å²	67	43%	0.433	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-10.4	174.7	-78.1	-171.2	-57.6	0	0	114.7	R407 N408 H413 I422	R407-M411 HydrophobicContact CG-CE 4.02Å; R407-M411 HydrophobicContact CG-CG 4.47Å; R407-M411 HydrophobicContact CG-SD 4.2Å; R407-M411 WeakPolarHBondContact O-CB 3.36Å; R407-M411 VanDerWaalsContact O-CG 3.29Å; R407-M411 WeakPolarHBondContact O-CG 3.26Å; R407-M411 PolarHBondContact O-N 3.28Å; N408-M411 VanDerWaalsContact OD1-CE 3.3Å; N408-M411 WeakPolarHBondContact OD1-CE 3.42Å; M411-H413 PolarHBondContact O-N 3.02Å; M411-I422 HydrophobicContact CG-CD1 3.83Å
412	E	84.8	Confident	90	Very high	111 Å²	111	62.5 Å²	62.5	52%	0.519	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.5	173.1	-64.6	-178.7	174.7	0	0	113.4	R378 V410	R378-E412 IonicContact CZ-OE2 2.79Å; R378-E412 IonicContact NH1-OE2 3.62Å; R378-E412 PolarHBondContact NH1-OE2 3.22Å; R378-E412 IonicContact NH2-OE2 3.7Å; R378-E412 PolarHBondContact NH2-OE2 2.97Å; V410-E412 PolarHBondContact O-N 3.09Å; V410-E412 VanDerWaalsContact O-N 3.09Å
413	H	83.4	Confident	90.1	Very high	54 Å²	54	65 Å²	65	25%	0.25	31%	0.307	C	S	.	.	S	Bend	trans	-129	136.8	-175.2	-61.2	-85.5	0	0	0	111.8	R378 V410 M411 V418 Y455 F461	R378-H413 PolarHBondContact NH2-NE2 3.41Å; V410-H413 PolarHBondContact O-N 3.04Å; M411-H413 PolarHBondContact O-N 3.02Å; H413-V418 HydrophobicContact CB-CG2 4.33Å; H413-V418 WeakPolarHBondContact O-CG1 3.49Å; H413-V418 VanDerWaalsContact O-CG2 3.31Å; H413-V418 WeakPolarHBondContact O-CG2 3.44Å; H413-Y455 PolarHBondContact CD2-OH 3.12Å; H413-F461 HydrophobicContact CB-CD1 4.06Å; H413-F461 HydrophobicContact CB-CE1 3.55Å; H413-F461 HydrophobicContact CB-CZ 4.37Å; H413-F461 AromaticContact CD2-CD1 3.64Å; H413-F461 AromaticContact CE1-CD1 3.81Å; H413-F461 AromaticContact CG-CD1 3.44Å; H413-F461 VanDerWaalsContact CG-CD1 3.44Å; H413-F461 AromaticContact CG-CE1 3.4Å; H413-F461 VanDerWaalsContact CG-CE1 3.4Å; H413-F461 AromaticContact ND1-CD1 3.53Å; H413-F461 AromaticContact ND1-CE1 3.54Å; H413-F461 AromaticContact NE2-CD1 3.86Å
414	E	81.7	Confident	90.2	Very high	184 Å²	184	65 Å²	65	86%	0.86	31%	0.307	S	S	*	.			trans	-97.5	95.2	177.1	-63.9	-174.8	173.8	0	0	110.7
415	C	87.1	Confident	90.3	Very high	38 Å²	38	60 Å²	60	26%	0.257	28%	0.284	S	S	.	.	S	Bend	trans	-147.5	161	173.8	69.5	0	0	0	0	112.5	L417 V418 W419	C415-L417 PolarHBondContact O-N 3.41Å; C415-V418 WeakPolarHBondContact O-CB 3.32Å; C415-V418 PolarHBondContact O-N 3.4Å; C415-V418 WeakPolarHBondContact SG-CG2 3.49Å; C415-W419 PolarHBondContact O-N 3.2Å
416	Q	89.2	Confident	90.3	Very high	153 Å²	153	59.1 Å²	59.1	72%	0.715	28%	0.283	S	S	*	.	H	α-helix	trans	-56.1	-37.9	-179.2	-172.9	172.2	0.1	0	0	113.1	V418 W419 D420	Q416-V418 VanDerWaalsContact C-N 3.28Å; Q416-V418 PolarHBondContact O-N 2.92Å; Q416-W419 PolarHBondContact O-N 3.11Å; Q416-D420 PolarHBondContact O-N 3.13Å
417	L	90	Very high	90.3	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-36.5	176.6	-177.5	67.1	0	0	0	112.5	C415 I421 L451 Q454 Y455	C415-L417 PolarHBondContact O-N 3.41Å; L417-I421 HydrophobicContact CG-CD1 4.2Å; L417-I421 WeakPolarHBondContact O-CD1 3.42Å; L417-I421 VanDerWaalsContact O-CG1 3.23Å; L417-I421 WeakPolarHBondContact O-CG1 3.41Å; L417-I421 PolarHBondContact O-N 3.39Å; L417-I421 VanDerWaalsContact O-N 3.12Å; L417-L451 HydrophobicContact CD1-CB 4.37Å; L417-L451 HydrophobicContact CD1-CD2 3.85Å; L417-Q454 HydrophobicContact CD1-CG 4.32Å; L417-Q454 HydrophobicContact CD2-CB 4.46Å; L417-Q454 HydrophobicContact CD2-CG 4.09Å; L417-Y455 HydrophobicContact CD2-CD2 4.46Å
418	V	90.8	Very high	90.3	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-45.8	177.3	162.7	0	0	0	0	110.1	V410 H413 C415 Q416 D420 I421 I422 Y455	V410-V418 HydrophobicContact CG1-CB 3.8Å; V410-V418 HydrophobicContact CG1-CG1 3.68Å; V410-V418 HydrophobicContact CG1-CG2 3.47Å; V410-V418 VanDerWaalsContact CG1-CG2 3.47Å; H413-V418 HydrophobicContact CB-CG2 4.33Å; H413-V418 WeakPolarHBondContact O-CG1 3.49Å; H413-V418 VanDerWaalsContact O-CG2 3.31Å; H413-V418 WeakPolarHBondContact O-CG2 3.44Å; C415-V418 WeakPolarHBondContact O-CB 3.32Å; C415-V418 PolarHBondContact O-N 3.4Å; C415-V418 WeakPolarHBondContact SG-CG2 3.49Å; Q416-V418 VanDerWaalsContact C-N 3.28Å; Q416-V418 PolarHBondContact O-N 2.92Å; V418-D420 PolarHBondContact O-N 3.06Å; V418-I421 PolarHBondContact O-N 3.08Å; V418-I422 HydrophobicContact CG1-CD1 3.68Å; V418-I422 HydrophobicContact CG1-CG1 4.43Å; V418-I422 WeakPolarHBondContact O-CG1 3.44Å; V418-I422 PolarHBondContact O-N 3.25Å; V418-Y455 HydrophobicContact CG2-CD2 4.39Å; V418-Y455 HydrophobicContact CG2-CE2 4.1Å
419	W	91.1	Very high	90.3	Very high	164 Å²	164	59.5 Å²	59.5	62%	0.621	28%	0.281	S	S	*	.	H	α-helix	trans	-60.7	-43.3	176.9	-65.3	113.1	0	0	0	112.3	C415 Q416 I421 I422 D423	C415-W419 PolarHBondContact O-N 3.2Å; Q416-W419 PolarHBondContact O-N 3.11Å; W419-I421 VanDerWaalsContact C-N 3.29Å; W419-I421 PolarHBondContact O-N 3.3Å; W419-I422 PolarHBondContact O-N 3.27Å; W419-D423 PolarHBondContact O-N 3.23Å
420	D	93.2	Very high	90.5	Very high	67 Å²	67	63 Å²	63	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-35.7	176.4	-69.6	-21.4	0	0	0	112.2	Q416 V418 L424 L451	Q416-D420 PolarHBondContact O-N 3.13Å; V418-D420 PolarHBondContact O-N 3.06Å; D420-L424 WeakPolarHBondContact O-CD1 3.28Å; D420-L424 VanDerWaalsContact O-CG 3.27Å; D420-L424 WeakPolarHBondContact O-CG 3.41Å; D420-L424 PolarHBondContact O-N 3.23Å; D420-L451 HydrophobicContact CB-CD1 4.38Å
421	I	93.1	Very high	90.6	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-46	174.9	-71	165.4	0	0	0	110.2	L406 V410 L417 V418 W419 L424 I425 L451	L406-I421 HydrophobicContact CD2-CG2 4.23Å; V410-I421 HydrophobicContact CG1-CD1 4.28Å; V410-I421 HydrophobicContact CG1-CG2 4.43Å; L417-I421 HydrophobicContact CG-CD1 4.2Å; L417-I421 WeakPolarHBondContact O-CD1 3.42Å; L417-I421 VanDerWaalsContact O-CG1 3.23Å; L417-I421 WeakPolarHBondContact O-CG1 3.41Å; L417-I421 PolarHBondContact O-N 3.39Å; L417-I421 VanDerWaalsContact O-N 3.12Å; V418-I421 PolarHBondContact O-N 3.08Å; W419-I421 VanDerWaalsContact C-N 3.29Å; W419-I421 PolarHBondContact O-N 3.3Å; I421-L424 PolarHBondContact O-N 3.11Å; I421-I425 HydrophobicContact CG2-CD1 3.71Å; I421-I425 HydrophobicContact CG2-CG1 4.33Å; I421-I425 VanDerWaalsContact O-CG1 3.27Å; I421-I425 WeakPolarHBondContact O-CG1 3.25Å; I421-I425 PolarHBondContact O-N 3.46Å; I421-L451 HydrophobicContact CD1-CB 4.21Å; I421-L451 HydrophobicContact CG1-CB 3.67Å; I421-L451 HydrophobicContact CG1-CD1 4.45Å
422	I	93.1	Very high	90.6	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.087	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-44.9	-178.9	-66.6	168.3	0	0	0	111	M411 V418 W419 L424 I425 D426	M411-I422 HydrophobicContact CG-CD1 3.83Å; V418-I422 HydrophobicContact CG1-CD1 3.68Å; V418-I422 HydrophobicContact CG1-CG1 4.43Å; V418-I422 WeakPolarHBondContact O-CG1 3.44Å; V418-I422 PolarHBondContact O-N 3.25Å; W419-I422 PolarHBondContact O-N 3.27Å; I422-L424 VanDerWaalsContact C-N 3.25Å; I422-L424 PolarHBondContact O-N 3.31Å; I422-I425 WeakPolarHBondContact O-CB 3.26Å; I422-I425 PolarHBondContact O-N 3.24Å; I422-D426 PolarHBondContact O-N 3.27Å
423	D	94	Very high	90.8	Very high	82 Å²	82	59.1 Å²	59.1	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-55.3	-43	175.6	178.6	70.5	0	0	0	111.4	W419 D426 R427	W419-D423 PolarHBondContact O-N 3.23Å; D423-D426 PolarHBondContact O-N 2.96Å; D423-R427 WeakPolarHBondContact O-CB 3.16Å; D423-R427 WeakPolarHBondContact O-CD 3.4Å; D423-R427 WeakPolarHBondContact O-CG 3.49Å; D423-R427 PolarHBondContact O-N 3.45Å; D423-R427 VanDerWaalsContact OD2-CD 3.26Å; D423-R427 WeakPolarHBondContact OD2-CD 3.45Å; D423-R427 IonicContact OD2-NH1 3.01Å
424	L	95.2	Very high	91.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-34.5	178.5	-67.7	171.9	0	0	0	113	D420 I421 I422 E428 L444 R447 I448 L451	D420-L424 WeakPolarHBondContact O-CD1 3.28Å; D420-L424 VanDerWaalsContact O-CG 3.27Å; D420-L424 WeakPolarHBondContact O-CG 3.41Å; D420-L424 PolarHBondContact O-N 3.23Å; I421-L424 PolarHBondContact O-N 3.11Å; I422-L424 VanDerWaalsContact C-N 3.25Å; I422-L424 PolarHBondContact O-N 3.31Å; L424-E428 PolarHBondContact O-N 3.3Å; L424-L444 HydrophobicContact CD2-CD1 3.82Å; L424-R447 HydrophobicContact CD1-CB 4.38Å; L424-R447 HydrophobicContact CD1-CG 3.74Å; L424-I448 HydrophobicContact CB-CD1 4.14Å; L424-I448 HydrophobicContact CB-CG1 3.61Å; L424-I448 HydrophobicContact CD1-CG1 4.31Å; L424-L451 HydrophobicContact CD1-CD1 3.34Å
425	I	93.9	Very high	91.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-49.5	173.7	-69.3	165.7	0	0	0	109.9	L403 L406 R407 I421 I422 R427 E428 M429	L403-I425 HydrophobicContact CB-CG2 4Å; L403-I425 HydrophobicContact CD2-CG1 4.23Å; L403-I425 HydrophobicContact CD2-CG2 4.43Å; L406-I425 HydrophobicContact CB-CD1 4.43Å; L406-I425 HydrophobicContact CD2-CD1 3.54Å; L406-I425 HydrophobicContact CD2-CG1 4Å; L406-I425 HydrophobicContact CG-CD1 3.82Å; R407-I425 HydrophobicContact CB-CD1 4.29Å; I421-I425 HydrophobicContact CG2-CD1 3.71Å; I421-I425 HydrophobicContact CG2-CG1 4.33Å; I421-I425 VanDerWaalsContact O-CG1 3.27Å; I421-I425 WeakPolarHBondContact O-CG1 3.25Å; I421-I425 PolarHBondContact O-N 3.46Å; I422-I425 WeakPolarHBondContact O-CB 3.26Å; I422-I425 PolarHBondContact O-N 3.24Å; I425-R427 VanDerWaalsContact C-N 3.28Å; I425-R427 PolarHBondContact O-N 3.27Å; I425-E428 WeakPolarHBondContact O-CB 3.45Å; I425-E428 PolarHBondContact O-N 3.28Å; I425-M429 HydrophobicContact CG2-CE 3.99Å; I425-M429 HydrophobicContact CG2-CG 4.41Å; I425-M429 HydrophobicContact CG2-SD 4.31Å; I425-M429 WeakPolarHBondContact O-CG 3.46Å; I425-M429 PolarHBondContact O-N 2.8Å
426	D	93.5	Very high	91.5	Very high	52 Å²	52	63.1 Å²	63.1	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-41.2	-179.9	-68	-20.6	0	0	0	110.5	I422 D423 E428 M429 D430	I422-D426 PolarHBondContact O-N 3.27Å; D423-D426 PolarHBondContact O-N 2.96Å; D426-E428 PolarHBondContact O-N 3.4Å; D426-M429 HydrophobicContact CB-CE 4.5Å; D426-M429 PolarHBondContact O-N 2.94Å; D426-M429 WeakPolarHBondContact OD1-CE 3.4Å; D426-D430 WeakPolarHBondContact O-CB 3.47Å; D426-D430 PolarHBondContact O-N 2.81Å
427	R	93.8	Very high	91.4	Very high	125 Å²	125	62.8 Å²	62.8	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-36.9	172.8	-70.4	168.5	70.8	150.1	10.2	113.4	D423 I425 L431 L444	D423-R427 WeakPolarHBondContact O-CB 3.16Å; D423-R427 WeakPolarHBondContact O-CD 3.4Å; D423-R427 WeakPolarHBondContact O-CG 3.49Å; D423-R427 PolarHBondContact O-N 3.45Å; D423-R427 VanDerWaalsContact OD2-CD 3.26Å; D423-R427 WeakPolarHBondContact OD2-CD 3.45Å; D423-R427 IonicContact OD2-NH1 3.01Å; I425-R427 VanDerWaalsContact C-N 3.28Å; I425-R427 PolarHBondContact O-N 3.27Å; R427-L431 WeakPolarHBondContact O-CB 3.19Å; R427-L431 WeakPolarHBondContact O-CD1 3.46Å; R427-L431 WeakPolarHBondContact O-CG 3.42Å; R427-L431 PolarHBondContact O-N 3.22Å; R427-L431 VanDerWaalsContact O-N 3.13Å; R427-L444 HydrophobicContact CB-CD1 4.47Å
428	E	92.1	Very high	91.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-47	174.3	-164.3	175.1	169.2	0	0	110.2	R399 L403 L424 I425 D426 D430 L431 M432 L444 R445 I448	R399-E428 IonicContact CZ-OE1 2.79Å; R399-E428 IonicContact CZ-OE2 3.4Å; R399-E428 IonicContact NE-OE1 2.67Å; R399-E428 PolarHBondContact NE-OE1 3.38Å; R399-E428 IonicContact NE-OE2 3.6Å; R399-E428 IonicContact NH2-OE1 2.74Å; R399-E428 PolarHBondContact NH2-OE1 3.28Å; R399-E428 IonicContact NH2-OE2 2.95Å; R399-E428 PolarHBondContact NH2-OE2 3.22Å; L403-E428 HydrophobicContact CD1-CB 4.07Å; L403-E428 HydrophobicContact CD1-CG 4Å; L403-E428 WeakPolarHBondContact CD2-OE2 3.5Å; L424-E428 PolarHBondContact O-N 3.3Å; I425-E428 WeakPolarHBondContact O-CB 3.45Å; I425-E428 PolarHBondContact O-N 3.28Å; D426-E428 PolarHBondContact O-N 3.4Å; E428-D430 PolarHBondContact O-N 2.98Å; E428-L431 PolarHBondContact O-N 3.48Å; E428-M432 HydrophobicContact CG-CG 4.35Å; E428-M432 HydrophobicContact CG-SD 3.98Å; E428-M432 WeakPolarHBondContact O-CB 3.21Å; E428-M432 VanDerWaalsContact O-CG 3.25Å; E428-M432 WeakPolarHBondContact O-CG 3.39Å; E428-M432 PolarHBondContact O-N 2.9Å; E428-L444 VanDerWaalsContact CA-CD2 3.45Å; E428-L444 HydrophobicContact CB-CD2 3.38Å; E428-L444 HydrophobicContact CG-CD2 3.74Å; E428-R445 WeakPolarHBondContact OE1-CG 3.44Å; E428-R445 IonicContact OE1-CZ 3.58Å; E428-R445 IonicContact OE1-NE 3.29Å; E428-R445 PolarHBondContact OE1-NE 2.96Å; E428-R445 IonicContact OE1-NH2 3.33Å; E428-I448 HydrophobicContact CB-CD1 4.2Å; E428-I448 WeakPolarHBondContact OE2-CD1 3.35Å
429	M	91	Very high	90.9	Very high	57 Å²	57	70.8 Å²	70.8	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-43.5	-180	-68.8	-168.4	-60.5	0	0	111.9	L403 I425 D426 M432 G433	L403-M429 HydrophobicContact CD1-CG 4.14Å; I425-M429 HydrophobicContact CG2-CE 3.99Å; I425-M429 HydrophobicContact CG2-CG 4.41Å; I425-M429 HydrophobicContact CG2-SD 4.31Å; I425-M429 WeakPolarHBondContact O-CG 3.46Å; I425-M429 PolarHBondContact O-N 2.8Å; D426-M429 HydrophobicContact CB-CE 4.5Å; D426-M429 PolarHBondContact O-N 2.94Å; D426-M429 WeakPolarHBondContact OD1-CE 3.4Å; M429-M432 PolarHBondContact O-N 2.98Å; M429-G433 PolarHBondContact O-N 3.27Å
430	D	92.6	Very high	90.7	Very high	101 Å²	101	68 Å²	68	54%	0.54	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-44	177.6	-80.9	-5.8	0	0	0	112.4	D426 E428 G433 R434	D426-D430 WeakPolarHBondContact O-CB 3.47Å; D426-D430 PolarHBondContact O-N 2.81Å; E428-D430 PolarHBondContact O-N 2.98Å; D430-G433 PolarHBondContact O-N 3.02Å; D430-R434 WeakPolarHBondContact O-CG 3.31Å; D430-R434 PolarHBondContact O-N 3.11Å
431	L	91.6	Very high	90.5	Very high	63 Å²	63	65 Å²	65	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-70.7	-35.2	179.5	-67.7	171.4	0	0	0	111.8	R427 E428 R434 V436 L441	R427-L431 WeakPolarHBondContact O-CB 3.19Å; R427-L431 WeakPolarHBondContact O-CD1 3.46Å; R427-L431 WeakPolarHBondContact O-CG 3.42Å; R427-L431 PolarHBondContact O-N 3.22Å; R427-L431 VanDerWaalsContact O-N 3.13Å; E428-L431 PolarHBondContact O-N 3.48Å; L431-R434 PolarHBondContact O-N 3.33Å; L431-V436 HydrophobicContact CB-CB 4.42Å; L431-V436 HydrophobicContact CB-CG2 4.21Å; L431-V436 HydrophobicContact CD2-CG2 4.14Å; L431-V436 WeakPolarHBondContact O-CB 3.4Å; L431-V436 WeakPolarHBondContact O-CG2 3.25Å; L431-V436 PolarHBondContact O-N 2.88Å; L431-L441 HydrophobicContact CB-CD2 3.76Å; L431-L441 HydrophobicContact CD1-CD2 3.8Å; L431-L441 HydrophobicContact CG-CD2 4.44Å
432	M	88.5	Confident	90.4	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-39	171.4	-75.1	178.7	64	0	0	111.8	Q396 R399 R400 L403 E428 M429 R434 D435 L441	Q396-M432 HydrophobicContact CB-CE 3.82Å; Q396-M432 HydrophobicContact CG-CE 4.07Å; Q396-M432 WeakPolarHBondContact O-CE 3.35Å; R399-M432 HydrophobicContact CB-CE 3.91Å; R399-M432 HydrophobicContact CG-CE 3.83Å; R399-M432 HydrophobicContact CG-SD 3.84Å; R400-M432 HydrophobicContact CG-CE 4.11Å; L403-M432 HydrophobicContact CD1-SD 4.44Å; E428-M432 HydrophobicContact CG-CG 4.35Å; E428-M432 HydrophobicContact CG-SD 3.98Å; E428-M432 WeakPolarHBondContact O-CB 3.21Å; E428-M432 VanDerWaalsContact O-CG 3.25Å; E428-M432 WeakPolarHBondContact O-CG 3.39Å; E428-M432 PolarHBondContact O-N 2.9Å; M429-M432 PolarHBondContact O-N 2.98Å; M432-R434 PolarHBondContact O-N 3.24Å; M432-D435 PolarHBondContact O-N 3.42Å; M432-D435 VanDerWaalsContact O-N 3.14Å; M432-L441 HydrophobicContact CG-CD1 3.89Å
433	G	88.6	Confident	90.2	Very high	53 Å²	53	70.9 Å²	70.9	55%	0.546	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-16.2	174.8	0	0	0	0	0	113.9	M429 D430	M429-G433 PolarHBondContact O-N 3.27Å; D430-G433 PolarHBondContact O-N 3.02Å
434	R	91.1	Very high	90.1	Very high	193 Å²	193	68.2 Å²	68.2	73%	0.728	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	12.1	176.2	-64.5	174.4	-171.5	-151.8	3.7	113.5	D430 L431 M432 V436	D430-R434 WeakPolarHBondContact O-CG 3.31Å; D430-R434 PolarHBondContact O-N 3.11Å; L431-R434 PolarHBondContact O-N 3.33Å; M432-R434 PolarHBondContact O-N 3.24Å; R434-V436 VanDerWaalsContact C-N 3.27Å; R434-V436 HydrophobicContact CB-CG2 4.47Å; R434-V436 PolarHBondContact O-N 3.45Å
435	D	86.4	Confident	90	Very high	122 Å²	122	68.6 Å²	68.6	65%	0.652	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	36.7	-179.8	-65.6	-41.5	0	0	0	114.5	Q396 M432 K437	Q396-D435 PolarHBondContact NE2-OD1 3.22Å; M432-D435 PolarHBondContact O-N 3.42Å; M432-D435 VanDerWaalsContact O-N 3.14Å; D435-K437 PolarHBondContact O-N 3.04Å
436	V	88.8	Confident	89.9	Confident	45 Å²	45	73.5 Å²	73.5	27%	0.273	38%	0.375	S	S	.	.			trans	-66.1	132.7	171.3	177.5	0	0	0	0	109.7	L431 R434 N440 L441	L431-V436 HydrophobicContact CB-CB 4.42Å; L431-V436 HydrophobicContact CB-CG2 4.21Å; L431-V436 HydrophobicContact CD2-CG2 4.14Å; L431-V436 WeakPolarHBondContact O-CB 3.4Å; L431-V436 WeakPolarHBondContact O-CG2 3.25Å; L431-V436 PolarHBondContact O-N 2.88Å; R434-V436 VanDerWaalsContact C-N 3.27Å; R434-V436 HydrophobicContact CB-CG2 4.47Å; R434-V436 PolarHBondContact O-N 3.45Å; V436-N440 HydrophobicContact CG1-CB 3.88Å; V436-L441 HydrophobicContact CG1-CD2 4.22Å; V436-L441 HydrophobicContact CG1-CG 4.38Å
437	K	86.6	Confident	89.9	Confident	145 Å²	145	77.4 Å²	77.4	63%	0.63	39%	0.386	S	S	*	.			trans	-59.1	139	-179.9	-61.4	-176.7	179.9	179.8	0	112.1	D435 H439 N440	D435-K437 PolarHBondContact O-N 3.04Å; K437-H439 VanDerWaalsContact C-N 3.3Å; K437-H439 VanDerWaalsContact CB-CE1 3.45Å; K437-H439 WeakPolarHBondContact CB-CE1 3.39Å; K437-H439 VanDerWaalsContact CD-CE1 3.46Å; K437-H439 WeakPolarHBondContact CD-CE1 3.38Å; K437-H439 PolarHBondContact O-N 2.95Å; K437-H439 VanDerWaalsContact O-N 3.14Å; K437-N440 WeakPolarHBondContact O-CB 3.46Å; K437-N440 PolarHBondContact O-N 3.37Å
438	D	85.1	Confident	89.9	Confident	79 Å²	79	71.4 Å²	71.4	42%	0.422	36%	0.363	S	S	.	.	H	α-helix	trans	-54.3	-36.6	-174.5	-74.6	-50.5	0	0	0	115.3	N440 L441 E442 R445	D438-N440 PolarHBondContact O-N 3.33Å; D438-L441 PolarHBondContact O-N 3.11Å; D438-E442 PolarHBondContact O-N 3.09Å; D438-R445 IonicContact OD1-CZ 3.56Å; D438-R445 IonicContact OD1-NH1 3.54Å; D438-R445 PolarHBondContact OD1-NH1 3.14Å; D438-R445 IonicContact OD1-NH2 3.25Å; D438-R445 PolarHBondContact OD1-NH2 3.11Å
439	H	85.8	Confident	89.9	Confident	119 Å²	119	71.8 Å²	71.8	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-28	179.3	63.2	-94.7	0	0	0	112.9	K437 L441	K437-H439 VanDerWaalsContact C-N 3.3Å; K437-H439 VanDerWaalsContact CB-CE1 3.45Å; K437-H439 WeakPolarHBondContact CB-CE1 3.39Å; K437-H439 VanDerWaalsContact CD-CE1 3.46Å; K437-H439 WeakPolarHBondContact CD-CE1 3.38Å; K437-H439 PolarHBondContact O-N 2.95Å; K437-H439 VanDerWaalsContact O-N 3.14Å; H439-L441 VanDerWaalsContact C-N 3.28Å
440	N	88	Confident	90	Very high	105 Å²	105	73.5 Å²	73.5	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-76.7	-18.6	176.2	-65.9	-37	0	0	0	112.3	V436 K437 D438	V436-N440 HydrophobicContact CG1-CB 3.88Å; K437-N440 WeakPolarHBondContact O-CB 3.46Å; K437-N440 PolarHBondContact O-N 3.37Å; D438-N440 PolarHBondContact O-N 3.33Å
441	L	88.9	Confident	90	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-90.7	-9	178.5	-59.1	177.5	0	0	0	112.7	L431 M432 V436 D438 H439 G443 L444 R445	L431-L441 HydrophobicContact CB-CD2 3.76Å; L431-L441 HydrophobicContact CD1-CD2 3.8Å; L431-L441 HydrophobicContact CG-CD2 4.44Å; M432-L441 HydrophobicContact CG-CD1 3.89Å; V436-L441 HydrophobicContact CG1-CD2 4.22Å; V436-L441 HydrophobicContact CG1-CG 4.38Å; D438-L441 PolarHBondContact O-N 3.11Å; H439-L441 VanDerWaalsContact C-N 3.28Å; L441-G443 VanDerWaalsContact C-N 3.32Å; L441-G443 PolarHBondContact O-N 3.4Å; L441-L444 WeakPolarHBondContact O-CB 3.47Å; L441-L444 PolarHBondContact O-N 3.36Å; L441-L444 VanDerWaalsContact O-N 3.08Å; L441-R445 WeakPolarHBondContact O-CG 3.42Å; L441-R445 PolarHBondContact O-N 2.86Å
442	E	89.2	Confident	90.1	Very high	89 Å²	89	66.8 Å²	66.8	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-56.3	-43.8	-174.9	-169.7	-174.1	167.3	0	0	112.5	D438 L444 R445 K446	D438-E442 PolarHBondContact O-N 3.09Å; E442-L444 PolarHBondContact O-N 3.16Å; E442-R445 PolarHBondContact O-N 3.34Å; E442-K446 HydrophobicContact CG-CD 4.39Å; E442-K446 WeakPolarHBondContact O-CB 3.27Å; E442-K446 WeakPolarHBondContact O-CG 3.35Å; E442-K446 PolarHBondContact O-N 3.05Å; E442-K446 WeakPolarHBondContact OE1-CE 3.48Å; E442-K446 IonicContact OE1-NZ 3.79Å; E442-K446 PolarHBondContact OE1-NZ 3.36Å
443	G	90.6	Very high	90.3	Very high	53 Å²	53	67.3 Å²	67.3	55%	0.546	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-40.7	177.7	0	0	0	0	0	112.9	L441 R447	L441-G443 VanDerWaalsContact C-N 3.32Å; L441-G443 PolarHBondContact O-N 3.4Å; G443-R447 WeakPolarHBondContact O-CB 3.43Å; G443-R447 PolarHBondContact O-N 3.06Å
444	L	91.9	Very high	90.3	Very high	26 Å²	26	69.8 Å²	69.8	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-47.6	176.7	-169.5	95	0	0	0	110.7	L424 R427 E428 L441 E442 K446 R447 I448	L424-L444 HydrophobicContact CD2-CD1 3.82Å; R427-L444 HydrophobicContact CB-CD1 4.47Å; E428-L444 VanDerWaalsContact CA-CD2 3.45Å; E428-L444 HydrophobicContact CB-CD2 3.38Å; E428-L444 HydrophobicContact CG-CD2 3.74Å; L441-L444 WeakPolarHBondContact O-CB 3.47Å; L441-L444 PolarHBondContact O-N 3.36Å; L441-L444 VanDerWaalsContact O-N 3.08Å; E442-L444 PolarHBondContact O-N 3.16Å; L444-K446 PolarHBondContact O-N 2.76Å; L444-R447 WeakPolarHBondContact O-CB 3.48Å; L444-R447 PolarHBondContact O-N 3.1Å; L444-R447 VanDerWaalsContact O-N 3.09Å; L444-I448 HydrophobicContact CD2-CD1 4.28Å; L444-I448 HydrophobicContact CG-CD1 4.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.33Å; L444-I448 PolarHBondContact O-N 2.81Å
445	R	93	Very high	90.3	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-44.7	177.7	-69.5	-178.8	177.1	158.4	9.5	111.8	F392 E428 D438 L441 E442 R447 I448 C449	F392-R445 HydrophobicContact CD1-CB 3.9Å; F392-R445 HydrophobicContact CD1-CG 4.43Å; F392-R445 HydrophobicContact CE1-CB 3.64Å; F392-R445 HydrophobicContact CZ-CB 4.17Å; F392-R445 PolarHBondContact O-NH1 2.76Å; E428-R445 WeakPolarHBondContact OE1-CG 3.44Å; E428-R445 IonicContact OE1-CZ 3.58Å; E428-R445 IonicContact OE1-NE 3.29Å; E428-R445 PolarHBondContact OE1-NE 2.96Å; E428-R445 IonicContact OE1-NH2 3.33Å; D438-R445 IonicContact OD1-CZ 3.56Å; D438-R445 IonicContact OD1-NH1 3.54Å; D438-R445 PolarHBondContact OD1-NH1 3.14Å; D438-R445 IonicContact OD1-NH2 3.25Å; D438-R445 PolarHBondContact OD1-NH2 3.11Å; L441-R445 WeakPolarHBondContact O-CG 3.42Å; L441-R445 PolarHBondContact O-N 2.86Å; E442-R445 PolarHBondContact O-N 3.34Å; R445-R447 VanDerWaalsContact C-N 3.32Å; R445-R447 PolarHBondContact O-N 3.26Å; R445-I448 PolarHBondContact O-N 3.04Å; R445-C449 PolarHBondContact O-N 2.93Å; R445-C449 PolarHBondContact O-SG 2.92Å; R445-C449 VanDerWaalsContact O-SG 3.37Å
446	K	91.1	Very high	90.5	Very high	104 Å²	104	54.9 Å²	54.9	45%	0.452	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-39	174.4	-76	178.3	-176.6	170.8	0	112.3	F392 E442 L444 C449 T450	F392-K446 HydrophobicContact CE2-CG 4.1Å; F392-K446 HydrophobicContact CZ-CG 4.08Å; E442-K446 HydrophobicContact CG-CD 4.39Å; E442-K446 WeakPolarHBondContact O-CB 3.27Å; E442-K446 WeakPolarHBondContact O-CG 3.35Å; E442-K446 PolarHBondContact O-N 3.05Å; E442-K446 WeakPolarHBondContact OE1-CE 3.48Å; E442-K446 IonicContact OE1-NZ 3.79Å; E442-K446 PolarHBondContact OE1-NZ 3.36Å; L444-K446 PolarHBondContact O-N 2.76Å; K446-C449 PolarHBondContact O-N 3.47Å; K446-T450 WeakPolarHBondContact O-CB 3.35Å; K446-T450 PolarHBondContact O-N 3.39Å; K446-T450 PolarHBondContact O-OG1 2.86Å
447	R	93.9	Very high	90.4	Very high	133 Å²	133	58 Å²	58	50%	0.502	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-44.2	177.2	-169.4	178.3	171.7	-171	-7.6	111.5	L424 G443 L444 R445 T450 L451	L424-R447 HydrophobicContact CD1-CB 4.38Å; L424-R447 HydrophobicContact CD1-CG 3.74Å; G443-R447 WeakPolarHBondContact O-CB 3.43Å; G443-R447 PolarHBondContact O-N 3.06Å; L444-R447 WeakPolarHBondContact O-CB 3.48Å; L444-R447 PolarHBondContact O-N 3.1Å; L444-R447 VanDerWaalsContact O-N 3.09Å; R445-R447 VanDerWaalsContact C-N 3.32Å; R445-R447 PolarHBondContact O-N 3.26Å; R447-T450 PolarHBondContact O-N 3.29Å; R447-L451 HydrophobicContact CG-CD1 4.29Å; R447-L451 WeakPolarHBondContact O-CG 3.26Å; R447-L451 PolarHBondContact O-N 3.3Å
448	I	93.5	Very high	90.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-50	174.5	-65.7	164.7	0	0	0	110.3	I389 L406 L424 E428 L444 R445 T450 L451 F452	I389-I448 HydrophobicContact CG2-CG2 4.1Å; L406-I448 HydrophobicContact CD2-CG2 3.82Å; L424-I448 HydrophobicContact CB-CD1 4.14Å; L424-I448 HydrophobicContact CB-CG1 3.61Å; L424-I448 HydrophobicContact CD1-CG1 4.31Å; E428-I448 HydrophobicContact CB-CD1 4.2Å; E428-I448 WeakPolarHBondContact OE2-CD1 3.35Å; L444-I448 HydrophobicContact CD2-CD1 4.28Å; L444-I448 HydrophobicContact CG-CD1 4.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.33Å; L444-I448 PolarHBondContact O-N 2.81Å; R445-I448 PolarHBondContact O-N 3.04Å; I448-T450 VanDerWaalsContact C-N 3.28Å; I448-T450 PolarHBondContact O-N 3.32Å; I448-L451 PolarHBondContact O-N 2.99Å; I448-F452 WeakPolarHBondContact O-CB 3.22Å; I448-F452 PolarHBondContact O-N 2.97Å
449	C	92.5	Very high	90.4	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.054	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-39.9	176.2	-70.2	0	0	0	0	112.6	R445 K446 L453	R445-C449 PolarHBondContact O-N 2.93Å; R445-C449 PolarHBondContact O-SG 2.92Å; R445-C449 VanDerWaalsContact O-SG 3.37Å; K446-C449 PolarHBondContact O-N 3.47Å; C449-L453 WeakPolarHBondContact O-CB 3.44Å; C449-L453 PolarHBondContact O-N 3.27Å
450	T	92.6	Very high	90.4	Very high	92 Å²	92	50 Å²	50	56%	0.564	27%	0.269	S	S	*	.	H	α-helix	trans	-69.1	-45.2	-178.7	-57.2	0	0	0	0	111.8	K446 R447 I448 L453 Q454	K446-T450 WeakPolarHBondContact O-CB 3.35Å; K446-T450 PolarHBondContact O-N 3.39Å; K446-T450 PolarHBondContact O-OG1 2.86Å; R447-T450 PolarHBondContact O-N 3.29Å; I448-T450 VanDerWaalsContact C-N 3.28Å; I448-T450 PolarHBondContact O-N 3.32Å; T450-L453 WeakPolarHBondContact O-CB 3.16Å; T450-L453 PolarHBondContact O-N 3.39Å; T450-Q454 PolarHBondContact O-N 3.41Å
451	L	93.5	Very high	90.2	Very high	24 Å²	24	45.9 Å²	45.9	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-38.5	177.1	-69.3	171.8	0	0	0	111.5	L417 D420 I421 L424 R447 I448 L453 Q454 Y455	L417-L451 HydrophobicContact CD1-CB 4.37Å; L417-L451 HydrophobicContact CD1-CD2 3.85Å; D420-L451 HydrophobicContact CB-CD1 4.38Å; I421-L451 HydrophobicContact CD1-CB 4.21Å; I421-L451 HydrophobicContact CG1-CB 3.67Å; I421-L451 HydrophobicContact CG1-CD1 4.45Å; L424-L451 HydrophobicContact CD1-CD1 3.34Å; R447-L451 HydrophobicContact CG-CD1 4.29Å; R447-L451 WeakPolarHBondContact O-CG 3.26Å; R447-L451 PolarHBondContact O-N 3.3Å; I448-L451 PolarHBondContact O-N 2.99Å; L451-L453 VanDerWaalsContact C-N 3.32Å; L451-L453 PolarHBondContact O-N 2.9Å; L451-Q454 WeakPolarHBondContact O-CB 3.39Å; L451-Q454 PolarHBondContact O-N 3.35Å; L451-Q454 VanDerWaalsContact O-N 3.14Å; L451-Y455 PolarHBondContact O-N 3.48Å
452	F	93.5	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-36.3	173.9	-172.9	-125.5	0	0	0	111.9	L382 I385 Y386 I389 L406 V410 I448 Q454 Y455 I456	L382-F452 HydrophobicContact CD2-CE2 4.29Å; L382-F452 HydrophobicContact CD2-CZ 4.03Å; I385-F452 HydrophobicContact CB-CE1 4.08Å; I385-F452 HydrophobicContact CB-CZ 4.05Å; I385-F452 HydrophobicContact CG2-CE1 3.61Å; I385-F452 HydrophobicContact CG2-CZ 3.59Å; Y386-F452 AromaticContact CD2-CD1 3.87Å; Y386-F452 HydrophobicContact CD2-CD1 3.87Å; Y386-F452 HydrophobicContact CD2-CE1 4.4Å; I389-F452 HydrophobicContact CD1-CD1 3.74Å; I389-F452 HydrophobicContact CD1-CE1 3.98Å; I389-F452 HydrophobicContact CD1-CG 4.37Å; L406-F452 HydrophobicContact CD1-CB 4.48Å; L406-F452 HydrophobicContact CD1-CD1 4.1Å; L406-F452 HydrophobicContact CD1-CD2 3.29Å; L406-F452 HydrophobicContact CD1-CE1 4.14Å; L406-F452 HydrophobicContact CD1-CE2 3.33Å; L406-F452 HydrophobicContact CD1-CG 3.71Å; L406-F452 HydrophobicContact CD1-CZ 3.79Å; V410-F452 HydrophobicContact CG2-CD2 4.14Å; V410-F452 HydrophobicContact CG2-CE2 3.99Å; I448-F452 WeakPolarHBondContact O-CB 3.22Å; I448-F452 PolarHBondContact O-N 2.97Å; F452-Q454 VanDerWaalsContact C-N 3.31Å; F452-Q454 PolarHBondContact O-N 2.79Å; F452-Y455 AromaticContact CD2-CD1 3.97Å; F452-Y455 HydrophobicContact CD2-CD1 3.97Å; F452-Y455 HydrophobicContact CD2-CG 4.43Å; F452-Y455 AromaticContact CE2-CD1 3.73Å; F452-Y455 HydrophobicContact CE2-CD1 3.73Å; F452-Y455 HydrophobicContact CE2-CE1 4.2Å; F452-Y455 WeakPolarHBondContact O-CB 3.33Å; F452-Y455 PolarHBondContact O-N 2.88Å; F452-Y455 VanDerWaalsContact O-N 3.16Å; F452-I456 HydrophobicContact CD1-CD1 3.95Å; F452-I456 HydrophobicContact CE1-CD1 3.63Å; F452-I456 HydrophobicContact CE1-CG1 4.26Å; F452-I456 HydrophobicContact CE2-CG1 4.38Å; F452-I456 HydrophobicContact CZ-CD1 3.99Å; F452-I456 HydrophobicContact CZ-CG1 4.16Å; F452-I456 WeakPolarHBondContact O-CG1 3.43Å; F452-I456 PolarHBondContact O-N 3.14Å
453	L	91.6	Very high	89.8	Confident	14 Å²	14	44.2 Å²	44.2	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-37.8	171.4	-174.6	64.5	0	0	0	112.1	I347 F350 L351 Y386 C449 T450 L451 Y455 I456 R457	I347-L453 HydrophobicContact CD1-CD2 3.93Å; I347-L453 HydrophobicContact CG1-CD2 3.86Å; I347-L453 HydrophobicContact CG2-CD1 3.92Å; I347-L453 HydrophobicContact CG2-CD2 4.08Å; F350-L453 HydrophobicContact CD1-CD1 4.49Å; L351-L453 HydrophobicContact CD2-CD1 4.28Å; Y386-L453 HydrophobicContact CE2-CB 3.97Å; Y386-L453 HydrophobicContact CE2-CD1 4.21Å; C449-L453 WeakPolarHBondContact O-CB 3.44Å; C449-L453 PolarHBondContact O-N 3.27Å; T450-L453 WeakPolarHBondContact O-CB 3.16Å; T450-L453 PolarHBondContact O-N 3.39Å; L451-L453 VanDerWaalsContact C-N 3.32Å; L451-L453 PolarHBondContact O-N 2.9Å; L453-Y455 VanDerWaalsContact C-N 3.34Å; L453-I456 PolarHBondContact O-N 3.43Å; L453-R457 WeakPolarHBondContact O-CB 3.4Å; L453-R457 WeakPolarHBondContact O-CG 3.42Å; L453-R457 PolarHBondContact O-N 3.37Å
454	Q	89.9	Confident	89.3	Confident	105 Å²	105	42.9 Å²	42.9	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-64.4	-39	173.1	-177.7	178	-9.6	0	0	111.7	L417 T450 L451 F452 R457 T458	L417-Q454 HydrophobicContact CD1-CG 4.32Å; L417-Q454 HydrophobicContact CD2-CB 4.46Å; L417-Q454 HydrophobicContact CD2-CG 4.09Å; T450-Q454 PolarHBondContact O-N 3.41Å; L451-Q454 WeakPolarHBondContact O-CB 3.39Å; L451-Q454 PolarHBondContact O-N 3.35Å; L451-Q454 VanDerWaalsContact O-N 3.14Å; F452-Q454 VanDerWaalsContact C-N 3.31Å; F452-Q454 PolarHBondContact O-N 2.79Å; Q454-R457 PolarHBondContact O-N 3.27Å; Q454-T458 PolarHBondContact O-N 3.36Å; Q454-T458 PolarHBondContact O-OG1 3.3Å
455	Y	90.9	Very high	88.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-50.3	172.8	177.3	-93.5	0	0	0	110.6	L382 V410 H413 L417 V418 L451 F452 L453 R457 T458 F461	L382-Y455 HydrophobicContact CD2-CE1 4.03Å; V410-Y455 HydrophobicContact CG1-CD2 4.45Å; V410-Y455 HydrophobicContact CG1-CE2 4.25Å; V410-Y455 HydrophobicContact CG2-CE1 4.33Å; H413-Y455 PolarHBondContact CD2-OH 3.12Å; L417-Y455 HydrophobicContact CD2-CD2 4.46Å; V418-Y455 HydrophobicContact CG2-CD2 4.39Å; V418-Y455 HydrophobicContact CG2-CE2 4.1Å; L451-Y455 PolarHBondContact O-N 3.48Å; F452-Y455 AromaticContact CD2-CD1 3.97Å; F452-Y455 HydrophobicContact CD2-CD1 3.97Å; F452-Y455 HydrophobicContact CD2-CG 4.43Å; F452-Y455 AromaticContact CE2-CD1 3.73Å; F452-Y455 HydrophobicContact CE2-CD1 3.73Å; F452-Y455 HydrophobicContact CE2-CE1 4.2Å; F452-Y455 WeakPolarHBondContact O-CB 3.33Å; F452-Y455 PolarHBondContact O-N 2.88Å; F452-Y455 VanDerWaalsContact O-N 3.16Å; L453-Y455 VanDerWaalsContact C-N 3.34Å; Y455-R457 VanDerWaalsContact C-N 3.26Å; Y455-R457 PolarHBondContact O-N 3.2Å; Y455-T458 WeakPolarHBondContact O-CB 3.32Å; Y455-T458 PolarHBondContact O-N 3.02Å; Y455-T458 VanDerWaalsContact O-N 3.08Å; Y455-F461 HydrophobicContact CD1-CB 4.35Å; Y455-F461 HydrophobicContact CD2-CB 4.35Å; Y455-F461 AromaticContact CD2-CD2 3.29Å; Y455-F461 HydrophobicContact CD2-CD2 3.29Å; Y455-F461 AromaticContact CD2-CE2 3.66Å; Y455-F461 HydrophobicContact CD2-CE2 3.66Å; Y455-F461 AromaticContact CD2-CG 3.81Å; Y455-F461 HydrophobicContact CD2-CG 3.81Å; Y455-F461 HydrophobicContact CD2-CZ 4.41Å; Y455-F461 HydrophobicContact CE1-CB 3.94Å; Y455-F461 HydrophobicContact CE1-CG 4.35Å; Y455-F461 HydrophobicContact CE2-CB 3.9Å; Y455-F461 AromaticContact CE2-CD1 3.78Å; Y455-F461 HydrophobicContact CE2-CD1 3.78Å; Y455-F461 AromaticContact CE2-CD2 3.38Å; Y455-F461 HydrophobicContact CE2-CD2 3.38Å; Y455-F461 HydrophobicContact CE2-CE1 4.16Å; Y455-F461 AromaticContact CE2-CE2 3.82Å; Y455-F461 HydrophobicContact CE2-CE2 3.82Å; Y455-F461 AromaticContact CE2-CG 3.39Å; Y455-F461 HydrophobicContact CE2-CG 3.39Å; Y455-F461 HydrophobicContact CE2-CZ 4.19Å; Y455-F461 AromaticContact CG-CD2 3.92Å; Y455-F461 HydrophobicContact CG-CD2 3.92Å; Y455-F461 HydrophobicContact CG-CG 4.43Å; Y455-F461 AromaticContact CZ-CG 3.71Å; Y455-F461 WeakPolarHBondContact O-CD2 3.36Å
456	I	89.6	Confident	88.2	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-33.8	177.4	-62.7	170	0	0	0	112.2	F350 L351 L382 Y386 F452 L453 T458 N462	F350-I456 HydrophobicContact CE1-CG2 4.45Å; L351-I456 HydrophobicContact CD2-CD1 3.91Å; L351-I456 HydrophobicContact CD2-CG2 3.84Å; L382-I456 HydrophobicContact CB-CD1 4.42Å; L382-I456 HydrophobicContact CB-CG1 4.25Å; Y386-I456 HydrophobicContact CD2-CD1 4.08Å; Y386-I456 HydrophobicContact CG-CD1 4.37Å; F452-I456 HydrophobicContact CD1-CD1 3.95Å; F452-I456 HydrophobicContact CE1-CD1 3.63Å; F452-I456 HydrophobicContact CE1-CG1 4.26Å; F452-I456 HydrophobicContact CE2-CG1 4.38Å; F452-I456 HydrophobicContact CZ-CD1 3.99Å; F452-I456 HydrophobicContact CZ-CG1 4.16Å; F452-I456 WeakPolarHBondContact O-CG1 3.43Å; F452-I456 PolarHBondContact O-N 3.14Å; L453-I456 PolarHBondContact O-N 3.43Å; I456-T458 PolarHBondContact O-N 2.98Å; I456-N462 VanDerWaalsContact O-CB 3.29Å; I456-N462 WeakPolarHBondContact O-CB 3.47Å
457	R	86.6	Confident	87.3	Confident	111 Å²	111	48.3 Å²	48.3	42%	0.419	25%	0.248	S	C	.	.	H	α-helix	trans	-72.1	-16.4	179	-79.4	177.2	175.6	179.5	3.5	113.9	F350 L453 Q454 Y455 P459 V465	F350-R457 HydrophobicContact CE1-CG 3.67Å; F350-R457 HydrophobicContact CZ-CG 3.63Å; L453-R457 WeakPolarHBondContact O-CB 3.4Å; L453-R457 WeakPolarHBondContact O-CG 3.42Å; L453-R457 PolarHBondContact O-N 3.37Å; Q454-R457 PolarHBondContact O-N 3.27Å; Y455-R457 VanDerWaalsContact C-N 3.26Å; Y455-R457 PolarHBondContact O-N 3.2Å; R457-P459 WeakPolarHBondContact O-CD 3.23Å; R457-V465 WeakPolarHBondContact O-CG1 3.41Å
458	T	87.3	Confident	86.3	Confident	44 Å²	44	45 Å²	45	27%	0.27	24%	0.24	S	C	.	.	S	Bend	trans	-80.8	121.7	-177.4	-56.5	0	0	0	0	110.3	Q454 Y455 I456 A460 F461 N462	Q454-T458 PolarHBondContact O-N 3.36Å; Q454-T458 PolarHBondContact O-OG1 3.3Å; Y455-T458 WeakPolarHBondContact O-CB 3.32Å; Y455-T458 PolarHBondContact O-N 3.02Å; Y455-T458 VanDerWaalsContact O-N 3.08Å; I456-T458 PolarHBondContact O-N 2.98Å; T458-A460 HydrophobicContact CG2-CB 4.14Å; T458-A460 PolarHBondContact O-N 3.23Å; T458-A460 VanDerWaalsContact O-N 3.13Å; T458-F461 HydrophobicContact CG2-CD2 3.82Å; T458-F461 HydrophobicContact CG2-CE2 3.77Å; T458-F461 PolarHBondContact O-N 2.91Å; T458-N462 PolarHBondContact O-N 2.78Å
459	P	85.4	Confident	85.2	Confident	51 Å²	51	47.8 Å²	47.8	33%	0.331	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.9	-179.6	-35.1	41.5	0	0	0	116.2	R457 F461 N462 P463 I466 L469	R457-P459 WeakPolarHBondContact O-CD 3.23Å; P459-F461 PolarHBondContact O-N 3.36Å; P459-N462 CarbonylContact O-C 3.31Å; P459-P463 WeakPolarHBondContact O-CA 3.1Å; P459-I466 HydrophobicContact CB-CD1 4.16Å; P459-I466 HydrophobicContact CB-CG1 3.64Å; P459-I466 HydrophobicContact CG-CG1 4.11Å; P459-L469 HydrophobicContact CG-CD1 3.43Å; P459-L469 VanDerWaalsContact CG-CD1 3.43Å
460	A	84	Confident	83.7	Confident	78 Å²	78	55.8 Å²	55.8	65%	0.645	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.7	179.3	0	0	0	0	0	112.2	T458	T458-A460 HydrophobicContact CG2-CB 4.14Å; T458-A460 PolarHBondContact O-N 3.23Å; T458-A460 VanDerWaalsContact O-N 3.13Å
461	F	84.8	Confident	82	Confident	20 Å²	20	55.3 Å²	55.3	9%	0.088	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-29.3	-177.3	-48.3	-45.7	0	0	0	112.3	R378 H413 Y455 T458 P459	R378-F461 PolarHBondContact NE-O 2.88Å; H413-F461 HydrophobicContact CB-CD1 4.06Å; H413-F461 HydrophobicContact CB-CE1 3.55Å; H413-F461 HydrophobicContact CB-CZ 4.37Å; H413-F461 AromaticContact CD2-CD1 3.64Å; H413-F461 AromaticContact CE1-CD1 3.81Å; H413-F461 AromaticContact CG-CD1 3.44Å; H413-F461 VanDerWaalsContact CG-CD1 3.44Å; H413-F461 AromaticContact CG-CE1 3.4Å; H413-F461 VanDerWaalsContact CG-CE1 3.4Å; H413-F461 AromaticContact ND1-CD1 3.53Å; H413-F461 AromaticContact ND1-CE1 3.54Å; H413-F461 AromaticContact NE2-CD1 3.86Å; Y455-F461 HydrophobicContact CD1-CB 4.35Å; Y455-F461 HydrophobicContact CD2-CB 4.35Å; Y455-F461 AromaticContact CD2-CD2 3.29Å; Y455-F461 HydrophobicContact CD2-CD2 3.29Å; Y455-F461 AromaticContact CD2-CE2 3.66Å; Y455-F461 HydrophobicContact CD2-CE2 3.66Å; Y455-F461 AromaticContact CD2-CG 3.81Å; Y455-F461 HydrophobicContact CD2-CG 3.81Å; Y455-F461 HydrophobicContact CD2-CZ 4.41Å; Y455-F461 HydrophobicContact CE1-CB 3.94Å; Y455-F461 HydrophobicContact CE1-CG 4.35Å; Y455-F461 HydrophobicContact CE2-CB 3.9Å; Y455-F461 AromaticContact CE2-CD1 3.78Å; Y455-F461 HydrophobicContact CE2-CD1 3.78Å; Y455-F461 AromaticContact CE2-CD2 3.38Å; Y455-F461 HydrophobicContact CE2-CD2 3.38Å; Y455-F461 HydrophobicContact CE2-CE1 4.16Å; Y455-F461 AromaticContact CE2-CE2 3.82Å; Y455-F461 HydrophobicContact CE2-CE2 3.82Å; Y455-F461 AromaticContact CE2-CG 3.39Å; Y455-F461 HydrophobicContact CE2-CG 3.39Å; Y455-F461 HydrophobicContact CE2-CZ 4.19Å; Y455-F461 AromaticContact CG-CD2 3.92Å; Y455-F461 HydrophobicContact CG-CD2 3.92Å; Y455-F461 HydrophobicContact CG-CG 4.43Å; Y455-F461 AromaticContact CZ-CG 3.71Å; Y455-F461 WeakPolarHBondContact O-CD2 3.36Å; T458-F461 HydrophobicContact CG2-CD2 3.82Å; T458-F461 HydrophobicContact CG2-CE2 3.77Å; T458-F461 PolarHBondContact O-N 2.91Å; P459-F461 PolarHBondContact O-N 3.36Å
462	N	86.1	Confident	79.9	Confident	2 Å²	2	60 Å²	60	1%	0.011	31%	0.306	C	S	.	.			trans	-131.2	93	175.2	-171.6	-10.6	0	0	0	111.5	L382 I456 T458 P459 K464 V465	L382-N462 HydrophobicContact CD1-CB 4.04Å; I456-N462 VanDerWaalsContact O-CB 3.29Å; I456-N462 WeakPolarHBondContact O-CB 3.47Å; T458-N462 PolarHBondContact O-N 2.78Å; P459-N462 CarbonylContact O-C 3.31Å; N462-K464 VanDerWaalsContact C-N 3.27Å; N462-K464 PolarHBondContact O-N 3.22Å; N462-K464 PolarHBondContact OD1-N 3.26Å; N462-V465 HydrophobicContact CB-CB 4.5Å; N462-V465 HydrophobicContact CB-CG2 3.97Å; N462-V465 VanDerWaalsContact ND2-CG2 3.31Å; N462-V465 WeakPolarHBondContact ND2-CG2 3.33Å; N462-V465 WeakPolarHBondContact O-CB 3.49Å; N462-V465 PolarHBondContact O-N 2.84Å; N462-V465 VanDerWaalsContact O-N 3.16Å
463	P	83.6	Confident	77.9	Confident	55 Å²	55	65.1 Å²	65.1	36%	0.357	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.5	-175.2	20.9	-30	0	0	0	113.9	P375 P459 V465 I466	P375-P463 HydrophobicContact CB-CG 3.96Å; P375-P463 HydrophobicContact CG-CG 4.02Å; P459-P463 WeakPolarHBondContact O-CA 3.1Å; P463-V465 PolarHBondContact O-N 2.77Å; P463-I466 WeakPolarHBondContact O-CD1 3.33Å; P463-I466 WeakPolarHBondContact O-CG1 3.35Å; P463-I466 PolarHBondContact O-N 3.16Å
464	K	80.9	Confident	76.1	Confident	24 Å²	24	72 Å²	72	10%	0.104	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-67.6	-19.8	177.4	-86.6	-104.1	167.5	158.3	0	113.2	P354 Q357 P375 D376 N462 I466	P354-K464 HydrophobicContact CB-CB 3.91Å; Q357-K464 PolarHBondContact O-NZ 2.85Å; P375-K464 HydrophobicContact CB-CG 3.72Å; D376-K464 VanDerWaalsContact OD1-CD 3.3Å; D376-K464 WeakPolarHBondContact OD1-CD 3.31Å; D376-K464 WeakPolarHBondContact OD1-CE 3.35Å; D376-K464 IonicContact OD1-NZ 3.02Å; D376-K464 PolarHBondContact OD1-NZ 2.81Å; D376-K464 IonicContact OD2-NZ 3.25Å; D376-K464 PolarHBondContact OD2-NZ 3.17Å; D376-K464 VanDerWaalsContact OD2-NZ 3.13Å; N462-K464 VanDerWaalsContact C-N 3.27Å; N462-K464 PolarHBondContact O-N 3.22Å; N462-K464 PolarHBondContact OD1-N 3.26Å; K464-I466 VanDerWaalsContact C-N 3.27Å; K464-I466 PolarHBondContact O-N 3.03Å
465	V	82.6	Confident	74.6	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-72.5	-19.4	179.8	171.1	0	0	0	0	112.5	F350 R457 N462 P463 K467 L468 L469	F350-V465 HydrophobicContact CE2-CG1 4.25Å; F350-V465 HydrophobicContact CZ-CG1 3.79Å; F350-V465 HydrophobicContact CZ-CG2 3.95Å; R457-V465 WeakPolarHBondContact O-CG1 3.41Å; N462-V465 HydrophobicContact CB-CB 4.5Å; N462-V465 HydrophobicContact CB-CG2 3.97Å; N462-V465 VanDerWaalsContact ND2-CG2 3.31Å; N462-V465 WeakPolarHBondContact ND2-CG2 3.33Å; N462-V465 WeakPolarHBondContact O-CB 3.49Å; N462-V465 PolarHBondContact O-N 2.84Å; N462-V465 VanDerWaalsContact O-N 3.16Å; P463-V465 PolarHBondContact O-N 2.77Å; V465-K467 VanDerWaalsContact C-N 3.27Å; V465-K467 PolarHBondContact O-N 3.42Å; V465-L468 CarbonylContact O-C 3.55Å; V465-L468 WeakPolarHBondContact O-CA 3.32Å; V465-L468 WeakPolarHBondContact O-CB 3.47Å; V465-L468 PolarHBondContact O-N 3.27Å; V465-L469 HydrophobicContact CG1-CD1 4.04Å; V465-L469 HydrophobicContact CG1-CD2 3.97Å; V465-L469 HydrophobicContact CG1-CG 3.73Å; V465-L469 WeakPolarHBondContact O-CG 3.31Å; V465-L469 PolarHBondContact O-N 3.44Å
466	I	77.9	Confident	73.1	Confident	86 Å²	86	77 Å²	77	44%	0.441	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-53.5	-43.7	178.2	-65	169.5	0	0	0	111.8	P459 P463 K464 L468 L469	P459-I466 HydrophobicContact CB-CD1 4.16Å; P459-I466 HydrophobicContact CB-CG1 3.64Å; P459-I466 HydrophobicContact CG-CG1 4.11Å; P463-I466 WeakPolarHBondContact O-CD1 3.33Å; P463-I466 WeakPolarHBondContact O-CG1 3.35Å; P463-I466 PolarHBondContact O-N 3.16Å; K464-I466 VanDerWaalsContact C-N 3.27Å; K464-I466 PolarHBondContact O-N 3.03Å; I466-L468 PolarHBondContact O-N 3.14Å; I466-L469 PolarHBondContact O-N 2.99Å
467	K	72.8	Confident	71.6	Confident	166 Å²	166	82.6 Å²	82.6	72%	0.722	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.4	179.2	-65.2	179.4	-178.8	172.6	0	113.1	E359 V465	E359-K467 IonicContact OE1-NZ 3.94Å; V465-K467 VanDerWaalsContact C-N 3.27Å; V465-K467 PolarHBondContact O-N 3.42Å
468	L	72.9	Confident	70.2	Confident	64 Å²	64	78.6 Å²	78.6	34%	0.335	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-100.6	-17.4	-176.9	-60.1	173.5	0	0	0	112.9	F350 K353 P354 V465 I466	F350-L468 HydrophobicContact CE2-CB 4.46Å; K353-L468 HydrophobicContact CB-CD1 4.03Å; K353-L468 HydrophobicContact CB-CD2 4.15Å; K353-L468 HydrophobicContact CD-CD2 4.22Å; P354-L468 HydrophobicContact CB-CD1 3.98Å; P354-L468 HydrophobicContact CG-CD1 3.97Å; V465-L468 CarbonylContact O-C 3.55Å; V465-L468 WeakPolarHBondContact O-CA 3.32Å; V465-L468 WeakPolarHBondContact O-CB 3.47Å; V465-L468 PolarHBondContact O-N 3.27Å; I466-L468 PolarHBondContact O-N 3.14Å
469	L	70.8	Confident	68.8	Low	57 Å²	57	83.9 Å²	83.9	30%	0.298	44%	0.436	S	S	.	.			trans	-78.5	133.8	178.1	-67.7	174.8	0	0	0	110.8	P459 V465 I466 V471	P459-L469 HydrophobicContact CG-CD1 3.43Å; P459-L469 VanDerWaalsContact CG-CD1 3.43Å; V465-L469 HydrophobicContact CG1-CD1 4.04Å; V465-L469 HydrophobicContact CG1-CD2 3.97Å; V465-L469 HydrophobicContact CG1-CG 3.73Å; V465-L469 WeakPolarHBondContact O-CG 3.31Å; V465-L469 PolarHBondContact O-N 3.44Å; I466-L469 PolarHBondContact O-N 2.99Å; L469-V471 PolarHBondContact O-N 3.03Å
470	K	61	Low	67.5	Low	177 Å²	177	89.1 Å²	89.1	77%	0.77	46%	0.456	S	S	*	.	S	Bend	trans	-62.7	-30.9	178.1	-68.1	-176.1	176.1	-174.8	0	112.5	H472	K470-H472 PolarHBondContact O-CE1 3.31Å; K470-H472 PolarHBondContact O-ND1 3.46Å
471	V	55.8	Low	66.7	Low	82 Å²	82	88.9 Å²	88.9	50%	0.497	44%	0.444	S	S	.	.			trans	-103.2	99.7	178.5	-173.9	0	0	0	0	108.7	L469 L478 W493	L469-V471 PolarHBondContact O-N 3.03Å; V471-L478 HydrophobicContact CG1-CD1 4.04Å; V471-W493 HydrophobicContact CG2-CZ2 4.44Å
472	H	49.3	Very low	66.3	Low	122 Å²	122	91.9 Å²	91.9	57%	0.565	46%	0.459	S	S	*	.			trans	-114.3	4.3	-176.2	47.7	-65.8	0	0	0	111.6	K470	K470-H472 PolarHBondContact O-CE1 3.31Å; K470-H472 PolarHBondContact O-ND1 3.46Å
473	K	53	Low	65.9	Low	108 Å²	108	95.2 Å²	95.2	47%	0.47	47%	0.474	S	S	.	.	S	Bend	trans	-124.8	152.4	-171.5	-62.7	-173.2	177.3	-172.2	0	112.5	L478	K473-L478 HydrophobicContact CB-CD2 4.27Å
474	K	53.5	Low	65.9	Low	159 Å²	159	96.4 Å²	96.4	69%	0.691	47%	0.473	S	S	*	.			trans	-62.6	149.8	178.2	-69.3	177.3	-179.1	174.6	0	111	S476 E477	K474-S476 PolarHBondContact O-N 3.16Å; K474-E477 PolarHBondContact O-N 2.9Å; K474-E477 VanDerWaalsContact O-N 3.09Å
475	P	57.6	Low	66.3	Low	104 Å²	104	95.2 Å²	95.2	68%	0.675	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-53.6	-32.1	-176.6	-25	32.4	0	0	0	115.1	E477 L478	P475-E477 VanDerWaalsContact C-N 3.29Å; P475-E477 PolarHBondContact O-N 2.98Å; P475-L478 PolarHBondContact O-N 2.76Å
476	S	59.5	Low	66.4	Low	105 Å²	105	100.2 Å²	100.2	73%	0.734	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-66.8	-24.3	-178.2	-45.3	0	0	0	0	114	K474	K474-S476 PolarHBondContact O-N 3.16Å
477	E	57.5	Low	66.8	Low	120 Å²	120	98.2 Å²	98.2	56%	0.561	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-92.3	-8	178.7	-66.5	171.5	-162.4	0	0	112.7	K474 P475	K474-E477 PolarHBondContact O-N 2.9Å; K474-E477 VanDerWaalsContact O-N 3.09Å; P475-E477 VanDerWaalsContact C-N 3.29Å; P475-E477 PolarHBondContact O-N 2.98Å
478	L	57.4	Low	67.5	Low	27 Å²	27	92.4 Å²	92.4	14%	0.141	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.7	-173.7	-61.8	179	0	0	0	113.7	V471 K473 P475 H480 D481 W493	V471-L478 HydrophobicContact CG1-CD1 4.04Å; K473-L478 HydrophobicContact CB-CD2 4.27Å; P475-L478 PolarHBondContact O-N 2.76Å; L478-H480 VanDerWaalsContact C-N 3.27Å; L478-H480 PolarHBondContact O-N 2.83Å; L478-D481 PolarHBondContact O-N 3Å; L478-W493 HydrophobicContact CD2-CH2 3.2Å; L478-W493 HydrophobicContact CD2-CZ2 3.3Å; L478-W493 HydrophobicContact CD2-CZ3 4.3Å
479	Q	57.9	Low	68.2	Low	154 Å²	154	96.5 Å²	96.5	72%	0.72	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.3	-171.9	-84.5	-174.8	-11.3	0	0	114.1
480	H	58.1	Low	68.9	Low	162 Å²	162	102 Å²	102	75%	0.75	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.4	-174.1	-62.4	-16.2	0	0	0	114.3	L478	L478-H480 VanDerWaalsContact C-N 3.27Å; L478-H480 PolarHBondContact O-N 2.83Å
481	D	68.5	Low	69.9	Low	73 Å²	73	100.9 Å²	100.9	39%	0.39	50%	0.498	S	S	.	.	S	Bend	trans	-115.4	4.9	-176.3	-81.4	-36	0	0	0	114.5	L478 F483 W493 S494	L478-D481 PolarHBondContact O-N 3Å; D481-F483 WeakPolarHBondContact O-CD2 3.41Å; D481-F483 WeakPolarHBondContact O-CE2 3.5Å; D481-W493 HydrophobicContact CB-CE3 4.06Å; D481-W493 HydrophobicContact CB-CZ3 4.25Å; D481-W493 WeakPolarHBondContact O-CA 3.41Å; D481-S494 PolarHBondContact O-N 2.8Å
482	M	75.8	Confident	71.2	Confident	82 Å²	82	99 Å²	99	40%	0.404	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.3	178.4	-74.9	179	63.7	0	0	111.8	Y491 L492	M482-Y491 VanDerWaalsContact CE-CB 3.45Å; M482-Y491 HydrophobicContact CE-CG 4.29Å; M482-L492 CarbonylContact C-O 3.59Å; M482-L492 WeakPolarHBondContact CA-O 3.44Å
483	F	78.2	Confident	72.5	Confident	73 Å²	73	96.8 Å²	96.8	32%	0.32	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.8	-178.8	-65.9	-88.1	0	0	0	110.8	D481 Y491 L492 F497	D481-F483 WeakPolarHBondContact O-CD2 3.41Å; D481-F483 WeakPolarHBondContact O-CE2 3.5Å; F483-Y491 CarbonylContact O-C 3.6Å; F483-Y491 WeakPolarHBondContact O-CA 3.3Å; F483-L492 PolarHBondContact N-O 2.64Å; F483-L492 PolarHBondContact O-N 2.86Å; F483-F497 HydrophobicContact CB-CD2 4.11Å; F483-F497 HydrophobicContact CB-CE2 3.54Å; F483-F497 HydrophobicContact CB-CZ 3.84Å
484	F	83.4	Confident	73.6	Confident	79 Å²	79	93.6 Å²	93.6	35%	0.346	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.4	177.4	-177.1	-101.2	0	0	0	110.9	Q489 Y491	F484-Q489 HydrophobicContact CE2-CB 4.26Å; F484-Q489 WeakPolarHBondContact CE2-O 3.44Å; F484-Q489 HydrophobicContact CZ-CB 3.95Å; F484-Q489 HydrophobicContact CZ-CG 4.24Å; F484-Y491 HydrophobicContact CB-CD1 4.15Å; F484-Y491 HydrophobicContact CB-CE1 3.92Å; F484-Y491 HydrophobicContact CD2-CD1 4.4Å; F484-Y491 HydrophobicContact CD2-CD2 4.35Å; F484-Y491 HydrophobicContact CD2-CE1 4.1Å; F484-Y491 HydrophobicContact CD2-CE2 4.03Å; F484-Y491 AromaticContact CD2-CZ 3.91Å; F484-Y491 HydrophobicContact CG-CE1 4.48Å
485	C	88.6	Confident	74.6	Confident	0 Å²	0	89.1 Å²	89.1	0%	0	46%	0.455	C	S	.	.			trans	-89	122.2	172.8	172.7	0	0	0	0	110.6	G487 Q489 R490 L492 F497 C509	C485-G487 VanDerWaalsContact C-N 3.27Å; C485-G487 PolarHBondContact O-N 3.39Å; C485-G487 PolarHBondContact SG-N 3.35Å; C485-G487 VanDerWaalsContact SG-N 3.36Å; C485-Q489 WeakPolarHBondContact O-CA 3.33Å; C485-Q489 PolarHBondContact O-N 3.26Å; C485-R490 PolarHBondContact N-O 2.96Å; C485-L492 HydrophobicContact CB-CD1 4.38Å; C485-F497 HydrophobicContact CB-CE1 3.82Å; C485-F497 HydrophobicContact CB-CZ 3.77Å; C485-C509 HydrophobicContact CB-CB 4.21Å; C485-C509 PolarHBondContact SG-N 3Å
486	H	85.7	Confident	75.6	Confident	105 Å²	105	86.9 Å²	86.9	49%	0.486	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.1	177.7	-71.6	-83.5	0	0	0	114.4	R507	H486-R507 PolarHBondContact N-O 3.45Å
487	G	85.4	Confident	76.5	Confident	43 Å²	43	82.4 Å²	82.4	44%	0.443	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-63.2	177.4	0	0	0	0	0	112.8	C485	C485-G487 VanDerWaalsContact C-N 3.27Å; C485-G487 PolarHBondContact O-N 3.39Å; C485-G487 PolarHBondContact SG-N 3.35Å; C485-G487 VanDerWaalsContact SG-N 3.36Å
488	C	87.6	Confident	77.1	Confident	45 Å²	45	77.5 Å²	77.5	30%	0.304	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.2	-179	63.7	0	0	0	0	115	R490 C512	C488-R490 PolarHBondContact O-N 2.99Å; C488-C512 PolarHBondContact N-SG 2.77Å; C488-C512 VanDerWaalsContact N-SG 3.41Å
489	Q	87.3	Confident	77.4	Confident	149 Å²	149	79.2 Å²	79.2	70%	0.696	40%	0.401	S	S	*	.			trans	56.8	28.4	-177.7	-56.8	-178.9	-15.6	0	0	114.4	F484 C485	F484-Q489 HydrophobicContact CE2-CB 4.26Å; F484-Q489 WeakPolarHBondContact CE2-O 3.44Å; F484-Q489 HydrophobicContact CZ-CB 3.95Å; F484-Q489 HydrophobicContact CZ-CG 4.24Å; C485-Q489 WeakPolarHBondContact O-CA 3.33Å; C485-Q489 PolarHBondContact O-N 3.26Å
490	R	85.1	Confident	77.4	Confident	173 Å²	173	73.9 Å²	73.9	65%	0.653	38%	0.38	S	S	*	.			trans	-110.3	148.3	178	-63.6	176.6	-171.6	179.7	0.7	111.1	C485 C488 L492	C485-R490 PolarHBondContact N-O 2.96Å; C488-R490 PolarHBondContact O-N 2.99Å; R490-L492 HydrophobicContact CB-CG 4.4Å
491	Y	83.3	Confident	77.2	Confident	154 Å²	154	68 Å²	68	60%	0.604	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.2	166.2	-66.7	-88.2	0	0	0	109.4	M482 F483 F484	M482-Y491 VanDerWaalsContact CE-CB 3.45Å; M482-Y491 HydrophobicContact CE-CG 4.29Å; F483-Y491 CarbonylContact O-C 3.6Å; F483-Y491 WeakPolarHBondContact O-CA 3.3Å; F484-Y491 HydrophobicContact CB-CD1 4.15Å; F484-Y491 HydrophobicContact CB-CE1 3.92Å; F484-Y491 HydrophobicContact CD2-CD1 4.4Å; F484-Y491 HydrophobicContact CD2-CD2 4.35Å; F484-Y491 HydrophobicContact CD2-CE1 4.1Å; F484-Y491 HydrophobicContact CD2-CE2 4.03Å; F484-Y491 AromaticContact CD2-CZ 3.91Å; F484-Y491 HydrophobicContact CG-CE1 4.48Å
492	L	82.9	Confident	76.4	Confident	43 Å²	43	68.2 Å²	68.2	23%	0.225	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	163.4	-177.1	-65.4	172.7	0	0	0	109.9	M482 F483 C485 R490 D496 F497 C509	M482-L492 CarbonylContact C-O 3.59Å; M482-L492 WeakPolarHBondContact CA-O 3.44Å; F483-L492 PolarHBondContact N-O 2.64Å; F483-L492 PolarHBondContact O-N 2.86Å; C485-L492 HydrophobicContact CB-CD1 4.38Å; R490-L492 HydrophobicContact CB-CG 4.4Å; L492-D496 HydrophobicContact CB-CB 4.1Å; L492-F497 HydrophobicContact CB-CE2 3.73Å; L492-F497 HydrophobicContact CB-CZ 4.19Å; L492-C509 HydrophobicContact CD1-CB 3.44Å; L492-C509 VanDerWaalsContact CD1-CB 3.44Å
493	W	76.2	Confident	75.4	Confident	74 Å²	74	65.8 Å²	65.8	28%	0.28	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	154.6	-179.3	-74.7	70.4	0	0	0	111.4	V471 L478 D481 A495 D496 F497	V471-W493 HydrophobicContact CG2-CZ2 4.44Å; L478-W493 HydrophobicContact CD2-CH2 3.2Å; L478-W493 HydrophobicContact CD2-CZ2 3.3Å; L478-W493 HydrophobicContact CD2-CZ3 4.3Å; D481-W493 HydrophobicContact CB-CE3 4.06Å; D481-W493 HydrophobicContact CB-CZ3 4.25Å; D481-W493 WeakPolarHBondContact O-CA 3.41Å; W493-A495 PolarHBondContact O-N 3.02Å; W493-A495 VanDerWaalsContact O-N 3.1Å; W493-D496 PolarHBondContact N-OD2 3.07Å; W493-D496 WeakPolarHBondContact O-CB 3.45Å; W493-D496 PolarHBondContact O-N 3.38Å; W493-F497 VanDerWaalsContact O-CD2 3.25Å; W493-F497 WeakPolarHBondContact O-CD2 3.25Å
494	S	75.8	Confident	74.2	Confident	41 Å²	41	66.7 Å²	66.7	29%	0.287	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-47.8	-38.6	173.9	61.6	0	0	0	0	113.6	D481 D496 F497	D481-S494 PolarHBondContact O-N 2.8Å; S494-D496 VanDerWaalsContact C-N 3.26Å; S494-D496 PolarHBondContact O-N 3.34Å; S494-F497 PolarHBondContact O-N 3.27Å
495	A	74.9	Confident	73.1	Confident	65 Å²	65	69.5 Å²	69.5	54%	0.537	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-64	-25.4	178.3	0	0	0	0	0	114.3	W493 F497 R510	W493-A495 PolarHBondContact O-N 3.02Å; W493-A495 VanDerWaalsContact O-N 3.1Å; A495-F497 PolarHBondContact O-N 3.39Å; A495-R510 VanDerWaalsContact O-CZ 3.24Å; A495-R510 PolarHBondContact O-NE 3.27Å; A495-R510 PolarHBondContact O-NH2 3.25Å
496	D	78.7	Confident	72.2	Confident	58 Å²	58	71.2 Å²	71.2	31%	0.31	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-81.6	-4.5	179.7	-63.6	-42.9	0	0	0	112.5	L492 W493 S494 C509 R510	L492-D496 HydrophobicContact CB-CB 4.1Å; W493-D496 PolarHBondContact N-OD2 3.07Å; W493-D496 WeakPolarHBondContact O-CB 3.45Å; W493-D496 PolarHBondContact O-N 3.38Å; S494-D496 VanDerWaalsContact C-N 3.26Å; S494-D496 PolarHBondContact O-N 3.34Å; D496-C509 WeakPolarHBondContact O-CA 3.35Å; D496-R510 WeakPolarHBondContact O-CB 3.34Å; D496-R510 VanDerWaalsContact O-CG 3.3Å; D496-R510 WeakPolarHBondContact O-CG 3.39Å; D496-R510 PolarHBondContact O-N 3.19Å
497	F	79.3	Confident	71.8	Confident	10 Å²	10	74.8 Å²	74.8	4%	0.044	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	153.5	173.7	-65.8	-94.5	0	0	0	111	F483 C485 L492 W493 S494 A495 S506 R508 C509 R510	F483-F497 HydrophobicContact CB-CD2 4.11Å; F483-F497 HydrophobicContact CB-CE2 3.54Å; F483-F497 HydrophobicContact CB-CZ 3.84Å; C485-F497 HydrophobicContact CB-CE1 3.82Å; C485-F497 HydrophobicContact CB-CZ 3.77Å; L492-F497 HydrophobicContact CB-CE2 3.73Å; L492-F497 HydrophobicContact CB-CZ 4.19Å; W493-F497 VanDerWaalsContact O-CD2 3.25Å; W493-F497 WeakPolarHBondContact O-CD2 3.25Å; S494-F497 PolarHBondContact O-N 3.27Å; A495-F497 PolarHBondContact O-N 3.39Å; F497-S506 VanDerWaalsContact CD1-O 3.23Å; F497-S506 WeakPolarHBondContact CD1-O 3.17Å; F497-R508 WeakPolarHBondContact CD1-O 3.45Å; F497-C509 HydrophobicContact CD1-CB 4.29Å; F497-C509 HydrophobicContact CE1-CB 4.1Å; F497-C509 HydrophobicContact CZ-CB 4.34Å; F497-R510 PolarHBondContact O-NE 3.19Å; F497-R510 PolarHBondContact O-NH2 3.42Å
498	G	68.3	Low	71.7	Confident	17 Å²	17	77.4 Å²	77.4	18%	0.175	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142.5	164.9	0	0	0	0	0	109.7	S506	G498-S506 WeakPolarHBondContact O-CB 3.38Å; G498-S506 PolarHBondContact O-N 2.94Å; G498-S506 VanDerWaalsContact O-N 3.08Å
499	S	64.3	Low	71.7	Confident	64 Å²	64	75.5 Å²	75.5	45%	0.448	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.5	167.9	-51.6	0	0	0	0	106.4	Q553	S499-Q553 PolarHBondContact O-OE1 3.33Å
500	S	58.7	Low	71.5	Confident	41 Å²	41	75.2 Å²	75.2	29%	0.287	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.3	161.8	178.4	110.8	0	0	0	0	111.3	T502 G503 C504	S500-T502 PolarHBondContact O-N 2.91Å; S500-T502 VanDerWaalsContact O-N 3.11Å; S500-T502 PolarHBondContact OG-N 3.48Å; S500-G503 PolarHBondContact O-N 3.26Å; S500-C504 WeakPolarHBondContact CB-O 3.5Å; S500-C504 PolarHBondContact N-O 3.42Å; S500-C504 VanDerWaalsContact N-O 3.15Å; S500-C504 PolarHBondContact OG-O 3.4Å
501	T	52.4	Low	71.6	Confident	40 Å²	40	71.3 Å²	71.3	25%	0.245	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26	176.3	57.9	0	0	0	0	113.1	D555 D556 N639	T501-D555 HydrophobicContact CG2-CB 4.25Å; T501-D556 WeakPolarHBondContact CG2-OD1 3.45Å; T501-N639 WeakPolarHBondContact O-CB 3.49Å; T501-N639 PolarHBondContact O-ND2 3.27Å
502	T	53.6	Low	71.8	Confident	76 Å²	76	64.9 Å²	64.9	47%	0.466	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.2	177.5	-26.2	0	0	0	0	113.3	S500 C504 K638	S500-T502 PolarHBondContact O-N 2.91Å; S500-T502 VanDerWaalsContact O-N 3.11Å; S500-T502 PolarHBondContact OG-N 3.48Å; T502-C504 PolarHBondContact O-N 2.88Å; T502-K638 HydrophobicContact CG2-CB 4.27Å
503	G	53.8	Low	71.8	Confident	31 Å²	31	66 Å²	66	32%	0.32	35%	0.354	S	S	.	.	S	Bend	trans	69	-2.4	-174.1	0	0	0	0	0	114.9	S500	S500-G503 PolarHBondContact O-N 3.26Å
504	C	53.6	Low	72.2	Confident	93 Å²	93	63.7 Å²	63.7	63%	0.628	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-78.5	125	170.9	-147.5	0	0	0	0	108.4	S500 T502 S506	S500-C504 WeakPolarHBondContact CB-O 3.5Å; S500-C504 PolarHBondContact N-O 3.42Å; S500-C504 VanDerWaalsContact N-O 3.15Å; S500-C504 PolarHBondContact OG-O 3.4Å; T502-C504 PolarHBondContact O-N 2.88Å; C504-S506 PolarHBondContact O-N 3.3Å
505	R	59.8	Low	72.6	Confident	137 Å²	137	66.3 Å²	66.3	52%	0.517	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.9	-178.4	-65.6	-178.7	-178.6	-163.6	-0.5	109.6	R507	R505-R507 PolarHBondContact O-N 2.9Å
506	S	69.1	Low	73.1	Confident	37 Å²	37	65.5 Å²	65.5	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	133.4	176.2	174.1	0	0	0	0	109.9	F497 G498 C504 R508	F497-S506 VanDerWaalsContact CD1-O 3.23Å; F497-S506 WeakPolarHBondContact CD1-O 3.17Å; G498-S506 WeakPolarHBondContact O-CB 3.38Å; G498-S506 PolarHBondContact O-N 2.94Å; G498-S506 VanDerWaalsContact O-N 3.08Å; C504-S506 PolarHBondContact O-N 3.3Å; S506-R508 WeakPolarHBondContact CB-O 3.25Å; S506-R508 PolarHBondContact O-N 3.19Å; S506-R508 PolarHBondContact OG-N 3.1Å; S506-R508 VanDerWaalsContact OG-N 3.11Å; S506-R508 PolarHBondContact OG-O 2.83Å
507	R	78.4	Confident	73.4	Confident	180 Å²	180	63.8 Å²	63.8	68%	0.679	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	-10.4	172.5	-75.6	-174.7	-174.2	-124.6	7.3	113	H486 R505	H486-R507 PolarHBondContact N-O 3.45Å; R505-R507 PolarHBondContact O-N 2.9Å
508	R	83.1	Confident	73.7	Confident	97 Å²	97	64.9 Å²	64.9	37%	0.366	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.7	179.3	-63.4	-178.5	-177.6	-177.5	-0.6	110.2	F497 S506 C512 D516	F497-R508 WeakPolarHBondContact CD1-O 3.45Å; S506-R508 WeakPolarHBondContact CB-O 3.25Å; S506-R508 PolarHBondContact O-N 3.19Å; S506-R508 PolarHBondContact OG-N 3.1Å; S506-R508 VanDerWaalsContact OG-N 3.11Å; S506-R508 PolarHBondContact OG-O 2.83Å; R508-C512 HydrophobicContact CB-CB 4.15Å; R508-D516 IonicContact NH1-OD1 2.93Å; R508-D516 PolarHBondContact NH1-OD1 2.88Å; R508-D516 IonicContact NH1-OD2 3.88Å; R508-D516 PolarHBondContact NH1-OD2 2.95Å
509	C	87.3	Confident	74.3	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.034	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	161.9	174.1	72.1	0	0	0	0	111.5	C485 L492 D496 F497 N511 C512 T513	C485-C509 HydrophobicContact CB-CB 4.21Å; C485-C509 PolarHBondContact SG-N 3Å; L492-C509 HydrophobicContact CD1-CB 3.44Å; L492-C509 VanDerWaalsContact CD1-CB 3.44Å; D496-C509 WeakPolarHBondContact O-CA 3.35Å; F497-C509 HydrophobicContact CD1-CB 4.29Å; F497-C509 HydrophobicContact CE1-CB 4.1Å; F497-C509 HydrophobicContact CZ-CB 4.34Å; C509-N511 PolarHBondContact O-N 3.23Å; C509-C512 PolarHBondContact O-N 2.9Å; C509-T513 PolarHBondContact O-N 3.11Å; C509-T513 PolarHBondContact O-OG1 3.15Å
510	R	84.1	Confident	75.2	Confident	143 Å²	143	72.8 Å²	72.8	54%	0.54	38%	0.375	S	S	.	.	H	α-helix	trans	-54.9	-36.2	-178.9	-70.9	174.4	-173.3	-162.1	3.1	113.1	A495 D496 F497 T513 S514	A495-R510 VanDerWaalsContact O-CZ 3.24Å; A495-R510 PolarHBondContact O-NE 3.27Å; A495-R510 PolarHBondContact O-NH2 3.25Å; D496-R510 WeakPolarHBondContact O-CB 3.34Å; D496-R510 VanDerWaalsContact O-CG 3.3Å; D496-R510 WeakPolarHBondContact O-CG 3.39Å; D496-R510 PolarHBondContact O-N 3.19Å; F497-R510 PolarHBondContact O-NE 3.19Å; F497-R510 PolarHBondContact O-NH2 3.42Å; R510-T513 PolarHBondContact O-N 3.4Å; R510-S514 WeakPolarHBondContact O-CB 3.11Å; R510-S514 PolarHBondContact O-N 3.22Å
511	N	86	Confident	76.2	Confident	92 Å²	92	73.5 Å²	73.5	49%	0.492	38%	0.379	S	S	.	.	H	α-helix	trans	-67.4	-46	177.4	-167.7	34.7	0	0	0	111.3	C509 T513 S514 L515	C509-N511 PolarHBondContact O-N 3.23Å; N511-T513 PolarHBondContact O-N 3.49Å; N511-S514 PolarHBondContact O-N 3.14Å; N511-L515 WeakPolarHBondContact O-CG 3.46Å; N511-L515 PolarHBondContact O-N 3.21Å
512	C	87.1	Confident	77.7	Confident	18 Å²	18	72.8 Å²	72.8	12%	0.122	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-41.4	174.8	-71.8	0	0	0	0	112	C488 R508 C509 S514 L515 D516	C488-C512 PolarHBondContact N-SG 2.77Å; C488-C512 VanDerWaalsContact N-SG 3.41Å; R508-C512 HydrophobicContact CB-CB 4.15Å; C509-C512 PolarHBondContact O-N 2.9Å; C512-S514 VanDerWaalsContact C-N 3.33Å; C512-S514 PolarHBondContact O-N 2.87Å; C512-L515 PolarHBondContact O-N 3.33Å; C512-D516 VanDerWaalsContact O-CB 3.31Å; C512-D516 WeakPolarHBondContact O-CB 3.47Å; C512-D516 PolarHBondContact O-N 2.91Å
513	T	84.4	Confident	79	Confident	66 Å²	66	71.6 Å²	71.6	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-42	175.3	-56.8	0	0	0	0	111.4	C509 R510 N511 D516 N517	C509-T513 PolarHBondContact O-N 3.11Å; C509-T513 PolarHBondContact O-OG1 3.15Å; R510-T513 PolarHBondContact O-N 3.4Å; N511-T513 PolarHBondContact O-N 3.49Å; T513-D516 PolarHBondContact O-N 3.45Å; T513-N517 PolarHBondContact O-N 3.22Å
514	S	83.8	Confident	80.3	Confident	27 Å²	27	70.8 Å²	70.8	19%	0.189	35%	0.351	C	S	.	.	H	α-helix	trans	-72	-33.7	178.6	-177.1	0	0	0	0	112.8	R283 R510 N511 C512 N517 V518	R283-S514 PolarHBondContact NE-OG 3.26Å; R283-S514 PolarHBondContact NH2-OG 3.49Å; R510-S514 WeakPolarHBondContact O-CB 3.11Å; R510-S514 PolarHBondContact O-N 3.22Å; N511-S514 PolarHBondContact O-N 3.14Å; C512-S514 VanDerWaalsContact C-N 3.33Å; C512-S514 PolarHBondContact O-N 2.87Å; S514-N517 WeakPolarHBondContact O-CB 3.41Å; S514-N517 PolarHBondContact O-N 3.29Å; S514-V518 WeakPolarHBondContact O-CG2 3.36Å; S514-V518 PolarHBondContact O-N 2.94Å; S514-V518 VanDerWaalsContact O-N 3.14Å
515	L	85.1	Confident	81.6	Confident	95 Å²	95	68 Å²	68	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-41.6	171.3	-72.4	171.9	0	0	0	111.4	N511 C512 N517 V518 A519	N511-L515 WeakPolarHBondContact O-CG 3.46Å; N511-L515 PolarHBondContact O-N 3.21Å; C512-L515 PolarHBondContact O-N 3.33Å; L515-N517 VanDerWaalsContact C-N 3.28Å; L515-N517 PolarHBondContact O-N 3.46Å; L515-V518 PolarHBondContact O-N 3.38Å; L515-A519 WeakPolarHBondContact O-CB 3.39Å; L515-A519 PolarHBondContact O-N 2.94Å
516	D	85.6	Confident	82.6	Confident	48 Å²	48	61.6 Å²	61.6	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-37.3	175.1	-163.1	57.3	0	0	0	111.1	R508 C512 T513 A519 R520 P521	R508-D516 IonicContact NH1-OD1 2.93Å; R508-D516 PolarHBondContact NH1-OD1 2.88Å; R508-D516 IonicContact NH1-OD2 3.88Å; R508-D516 PolarHBondContact NH1-OD2 2.95Å; C512-D516 VanDerWaalsContact O-CB 3.31Å; C512-D516 WeakPolarHBondContact O-CB 3.47Å; C512-D516 PolarHBondContact O-N 2.91Å; T513-D516 PolarHBondContact O-N 3.45Å; D516-A519 PolarHBondContact O-N 2.98Å; D516-R520 WeakPolarHBondContact O-CB 3.12Å; D516-R520 PolarHBondContact O-N 3.45Å; D516-R520 WeakPolarHBondContact OD1-CD 3.46Å; D516-R520 IonicContact OD1-CZ 3.11Å; D516-R520 IonicContact OD1-NE 3.95Å; D516-R520 PolarHBondContact OD1-NE 3.33Å; D516-P521 WeakPolarHBondContact O-CD 3.29Å
517	N	84.8	Confident	83.3	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-50.3	172.4	-168.1	68.4	0	0	0	111.8	T513 S514 L515 A519 R520 P521 R522 D523	T513-N517 PolarHBondContact O-N 3.22Å; S514-N517 WeakPolarHBondContact O-CB 3.41Å; S514-N517 PolarHBondContact O-N 3.29Å; L515-N517 VanDerWaalsContact C-N 3.28Å; L515-N517 PolarHBondContact O-N 3.46Å; N517-A519 VanDerWaalsContact C-N 3.25Å; N517-A519 PolarHBondContact O-N 2.91Å; N517-R520 PolarHBondContact O-N 3.04Å; N517-P521 HydrophobicContact CB-CG 4.47Å; N517-P521 WeakPolarHBondContact O-CD 3.44Å; N517-P521 VanDerWaalsContact OD1-CG 3.28Å; N517-P521 WeakPolarHBondContact OD1-CG 3.48Å; N517-R522 VanDerWaalsContact O-CA 3.24Å; N517-R522 WeakPolarHBondContact O-CA 3.42Å; N517-R522 PolarHBondContact O-N 3.33Å; N517-D523 PolarHBondContact ND2-O 3.07Å
518	V	84.3	Confident	83.7	Confident	32 Å²	32	52.6 Å²	52.6	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-33.9	178.9	173.3	0	0	0	0	111.8	Y290 S514 L515 R522	Y290-V518 HydrophobicContact CD1-CG1 4.33Å; Y290-V518 HydrophobicContact CD2-CG1 3.95Å; Y290-V518 HydrophobicContact CD2-CG2 4.24Å; Y290-V518 HydrophobicContact CE1-CG1 4.17Å; Y290-V518 HydrophobicContact CE2-CG1 3.77Å; Y290-V518 HydrophobicContact CE2-CG2 4.44Å; Y290-V518 HydrophobicContact CG-CG1 4.23Å; S514-V518 WeakPolarHBondContact O-CG2 3.36Å; S514-V518 PolarHBondContact O-N 2.94Å; S514-V518 VanDerWaalsContact O-N 3.14Å; L515-V518 PolarHBondContact O-N 3.38Å; V518-R522 VanDerWaalsContact O-CG 3.23Å; V518-R522 WeakPolarHBondContact O-CG 3.29Å; V518-R522 PolarHBondContact O-NE 3.43Å
519	A	82.3	Confident	83.9	Confident	73 Å²	73	50.4 Å²	50.4	60%	0.603	26%	0.262	S	S	*	.	H	α-helix	trans	-81.7	-28.1	-177.4	0	0	0	0	0	114.2	L515 D516 N517	L515-A519 WeakPolarHBondContact O-CB 3.39Å; L515-A519 PolarHBondContact O-N 2.94Å; D516-A519 PolarHBondContact O-N 2.98Å; N517-A519 VanDerWaalsContact C-N 3.25Å; N517-A519 PolarHBondContact O-N 2.91Å
520	R	82.9	Confident	83.9	Confident	175 Å²	175	53.5 Å²	53.5	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-82.5	-171.8	-65	175.7	-170.9	-117.7	-7.9	112.8	D516 N517	D516-R520 WeakPolarHBondContact O-CB 3.12Å; D516-R520 PolarHBondContact O-N 3.45Å; D516-R520 WeakPolarHBondContact OD1-CD 3.46Å; D516-R520 IonicContact OD1-CZ 3.11Å; D516-R520 IonicContact OD1-NE 3.95Å; D516-R520 PolarHBondContact OD1-NE 3.33Å; N517-R520 PolarHBondContact O-N 3.04Å
521	P	79.3	Confident	84.1	Confident	56 Å²	56	47.3 Å²	47.3	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-24.7	-172.1	33.4	-40.3	0	0	0	114.1	D516 N517 D523	D516-P521 WeakPolarHBondContact O-CD 3.29Å; N517-P521 HydrophobicContact CB-CG 4.47Å; N517-P521 WeakPolarHBondContact O-CD 3.44Å; N517-P521 VanDerWaalsContact OD1-CG 3.28Å; N517-P521 WeakPolarHBondContact OD1-CG 3.48Å; P521-D523 PolarHBondContact O-N 3.09Å; P521-D523 VanDerWaalsContact O-N 3.15Å
522	R	83.8	Confident	84.3	Confident	24 Å²	24	43.2 Å²	43.2	9%	0.091	23%	0.234	C	C	.	.			trans	50.1	33.7	-173.2	-63.4	175	-176	159.9	-3.6	113.4	H291 E294 E324 I328 N517 V518	H291-R522 VanDerWaalsContact CA-O 3.22Å; H291-R522 WeakPolarHBondContact CA-O 3.32Å; H291-R522 WeakPolarHBondContact CB-O 3.41Å; H291-R522 PolarHBondContact CD2-O 2.82Å; E294-R522 HydrophobicContact CB-CB 3.98Å; E294-R522 HydrophobicContact CG-CB 4.36Å; E294-R522 WeakPolarHBondContact OE2-CD 3.17Å; E294-R522 IonicContact OE2-CZ 2.86Å; E294-R522 IonicContact OE2-NE 2.94Å; E294-R522 IonicContact OE2-NH1 2.9Å; E294-R522 PolarHBondContact OE2-NH1 3.43Å; E324-R522 IonicContact OE1-CZ 3.28Å; E324-R522 VanDerWaalsContact OE1-CZ 3.25Å; E324-R522 IonicContact OE1-NH1 3.74Å; E324-R522 PolarHBondContact OE1-NH1 3.43Å; E324-R522 IonicContact OE1-NH2 3.7Å; E324-R522 PolarHBondContact OE1-NH2 2.95Å; I328-R522 VanDerWaalsContact CD1-NH2 3.34Å; N517-R522 VanDerWaalsContact O-CA 3.24Å; N517-R522 WeakPolarHBondContact O-CA 3.42Å; N517-R522 PolarHBondContact O-N 3.33Å; V518-R522 VanDerWaalsContact O-CG 3.23Å; V518-R522 WeakPolarHBondContact O-CG 3.29Å; V518-R522 PolarHBondContact O-NE 3.43Å
523	D	80.9	Confident	84.4	Confident	51 Å²	51	47.5 Å²	47.5	27%	0.273	25%	0.247	S	C	.	.			trans	-67.8	138.9	-178.4	-69.5	-22.6	0	0	0	111.8	N517 P521 R558	N517-D523 PolarHBondContact ND2-O 3.07Å; P521-D523 PolarHBondContact O-N 3.09Å; P521-D523 VanDerWaalsContact O-N 3.15Å; D523-R558 IonicContact OD2-CZ 3.19Å; D523-R558 IonicContact OD2-NH1 2.67Å; D523-R558 PolarHBondContact OD2-NH1 2.99Å
524	D	80.5	Confident	84.6	Confident	15 Å²	15	48.6 Å²	48.6	8%	0.08	24%	0.244	C	C	.	.			trans	-90.4	105.5	169.1	-177	16.2	0	0	0	111.4	H291 S526	H291-D524 HydrophobicContact CB-CB 3.97Å; D524-S526 VanDerWaalsContact CG-OG 3.27Å; D524-S526 WeakPolarHBondContact OD1-CB 3.41Å; D524-S526 PolarHBondContact OD1-N 3.42Å; D524-S526 PolarHBondContact OD1-OG 2.9Å; D524-S526 PolarHBondContact OD2-OG 3.36Å
525	N	81.1	Confident	84.8	Confident	33 Å²	33	47.4 Å²	47.4	18%	0.176	24%	0.236	C	C	.	.			trans	-89.7	-0.5	176.1	-75.4	-33.2	0	0	0	113.8	V527 Y528 Q529 V554	N525-V527 VanDerWaalsContact C-N 3.32Å; N525-V527 PolarHBondContact O-N 3.26Å; N525-Y528 PolarHBondContact O-N 3.28Å; N525-Q529 WeakPolarHBondContact O-CG 3.21Å; N525-Q529 PolarHBondContact O-N 2.99Å; N525-V554 HydrophobicContact CB-CG1 4.05Å
526	S	81.8	Confident	85	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-34.6	-173.7	72.9	0	0	0	0	112.7	D524 Q529 N530	D524-S526 VanDerWaalsContact CG-OG 3.27Å; D524-S526 WeakPolarHBondContact OD1-CB 3.41Å; D524-S526 PolarHBondContact OD1-N 3.42Å; D524-S526 PolarHBondContact OD1-OG 2.9Å; D524-S526 PolarHBondContact OD2-OG 3.36Å; S526-Q529 PolarHBondContact O-N 3.4Å; S526-N530 VanDerWaalsContact O-CG 3.26Å; S526-N530 PolarHBondContact O-N 3.49Å; S526-N530 PolarHBondContact O-ND2 3.28Å
527	V	83.1	Confident	85.2	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-49.4	178.4	-166	0	0	0	0	110.7	N525 Q529 N530 I531 I577 Y578	N525-V527 VanDerWaalsContact C-N 3.32Å; N525-V527 PolarHBondContact O-N 3.26Å; V527-Q529 VanDerWaalsContact C-N 3.3Å; V527-Q529 PolarHBondContact O-N 3.34Å; V527-N530 PolarHBondContact O-N 3.07Å; V527-N530 VanDerWaalsContact O-N 3.12Å; V527-I531 HydrophobicContact CG1-CD1 4.38Å; V527-I531 WeakPolarHBondContact O-CG1 3.48Å; V527-I531 PolarHBondContact O-N 3.36Å; V527-I577 HydrophobicContact CB-CG2 4.5Å; V527-I577 HydrophobicContact CG1-CB 4.23Å; V527-I577 HydrophobicContact CG1-CG2 3.61Å; V527-Y578 HydrophobicContact CB-CE1 4.35Å; V527-Y578 HydrophobicContact CG1-CD1 4.03Å; V527-Y578 HydrophobicContact CG1-CE1 4.1Å; V527-Y578 HydrophobicContact CG1-CG 4.35Å; V527-Y578 HydrophobicContact CG2-CD1 4.17Å; V527-Y578 HydrophobicContact CG2-CE1 3.39Å; V527-Y578 HydrophobicContact CG2-CE2 4.19Å; V527-Y578 WeakPolarHBondContact CG2-OH 3.49Å
528	Y	87.4	Confident	85.2	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-37	177.2	-58.5	-56	0	0	0	112.2	N525 I531 L532 I557 R558 I561 E562 I577	N525-Y528 PolarHBondContact O-N 3.28Å; Y528-I531 PolarHBondContact O-N 2.91Å; Y528-L532 WeakPolarHBondContact O-CB 3.46Å; Y528-L532 PolarHBondContact O-N 3.22Å; Y528-I557 HydrophobicContact CD1-CG2 4.39Å; Y528-R558 HydrophobicContact CD1-CB 4.27Å; Y528-R558 HydrophobicContact CD2-CB 3.93Å; Y528-R558 HydrophobicContact CD2-CG 4.04Å; Y528-R558 HydrophobicContact CE1-CB 4.36Å; Y528-R558 HydrophobicContact CE1-CG 4.34Å; Y528-R558 HydrophobicContact CE2-CB 4.01Å; Y528-R558 HydrophobicContact CE2-CG 3.62Å; Y528-R558 HydrophobicContact CG-CB 4.06Å; Y528-I561 HydrophobicContact CD1-CD1 3.63Å; Y528-I561 HydrophobicContact CE1-CB 4.11Å; Y528-I561 HydrophobicContact CE1-CD1 3.78Å; Y528-I561 HydrophobicContact CE1-CG2 4.14Å; Y528-E562 WeakPolarHBondContact OH-CG 3.43Å; Y528-E562 PolarHBondContact OH-OE1 3.46Å; Y528-I577 HydrophobicContact CE1-CG2 4.2Å
529	Q	86.4	Confident	85.3	Confident	52 Å²	52	47.7 Å²	47.7	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-43	172.2	-76.7	-178	17.1	0	0	112.6	E284 N525 S526 V527 I531 L532 R533 V554	E284-Q529 PolarHBondContact OE1-OE1 2.87Å; E284-Q529 VanDerWaalsContact OE1-OE1 3.09Å; N525-Q529 WeakPolarHBondContact O-CG 3.21Å; N525-Q529 PolarHBondContact O-N 2.99Å; S526-Q529 PolarHBondContact O-N 3.4Å; V527-Q529 VanDerWaalsContact C-N 3.3Å; V527-Q529 PolarHBondContact O-N 3.34Å; Q529-I531 VanDerWaalsContact C-N 3.35Å; Q529-L532 PolarHBondContact O-N 2.94Å; Q529-R533 WeakPolarHBondContact O-CB 3.5Å; Q529-R533 VanDerWaalsContact O-CG 3.25Å; Q529-R533 WeakPolarHBondContact O-CG 3.39Å; Q529-R533 PolarHBondContact O-N 3.48Å; Q529-V554 HydrophobicContact CG-CB 4.31Å; Q529-V554 HydrophobicContact CG-CG1 3.81Å; Q529-V554 HydrophobicContact CG-CG2 3.45Å; Q529-V554 VanDerWaalsContact CG-CG2 3.45Å
530	N	87.2	Confident	85.5	Confident	69 Å²	69	49.3 Å²	49.3	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-40.7	178.7	-72.2	-29.4	0	0	0	111.5	S526 V527 R533 R534	S526-N530 VanDerWaalsContact O-CG 3.26Å; S526-N530 PolarHBondContact O-N 3.49Å; S526-N530 PolarHBondContact O-ND2 3.28Å; V527-N530 PolarHBondContact O-N 3.07Å; V527-N530 VanDerWaalsContact O-N 3.12Å; N530-R533 PolarHBondContact O-N 2.97Å; N530-R533 PolarHBondContact OD1-NH1 2.96Å; N530-R534 WeakPolarHBondContact O-CB 3.16Å; N530-R534 PolarHBondContact O-N 3.28Å
531	I	89.1	Confident	85.7	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.067	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-46.5	174.6	-64.7	169.9	0	0	0	110.3	V527 Y528 Q529 R534 L535 I557 I561 I577 F582	V527-I531 HydrophobicContact CG1-CD1 4.38Å; V527-I531 WeakPolarHBondContact O-CG1 3.48Å; V527-I531 PolarHBondContact O-N 3.36Å; Y528-I531 PolarHBondContact O-N 2.91Å; Q529-I531 VanDerWaalsContact C-N 3.35Å; I531-R534 PolarHBondContact O-N 2.78Å; I531-L535 WeakPolarHBondContact O-CB 3.25Å; I531-L535 PolarHBondContact O-N 2.94Å; I531-I557 HydrophobicContact CB-CG2 4.49Å; I531-I557 HydrophobicContact CG2-CG2 4.24Å; I531-I561 HydrophobicContact CD1-CD1 3.58Å; I531-I561 HydrophobicContact CG2-CD1 4.45Å; I531-I577 HydrophobicContact CD1-CG2 4.23Å; I531-F582 HydrophobicContact CG2-CD2 3.8Å; I531-F582 HydrophobicContact CG2-CE2 4.25Å
532	L	90.4	Very high	85.9	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-43.2	177.9	-176.8	55.2	0	0	0	112.7	Y528 Q529 R534 L535 R536 L552 V554 I557	Y528-L532 WeakPolarHBondContact O-CB 3.46Å; Y528-L532 PolarHBondContact O-N 3.22Å; Q529-L532 PolarHBondContact O-N 2.94Å; L532-R534 VanDerWaalsContact C-N 3.33Å; L532-L535 HydrophobicContact CD1-CD2 4.31Å; L532-L535 PolarHBondContact O-N 3.12Å; L532-R536 HydrophobicContact CD1-CG 4.37Å; L532-R536 WeakPolarHBondContact O-CG 3.47Å; L532-R536 PolarHBondContact O-N 3.35Å; L532-L552 HydrophobicContact CD1-CB 4.35Å; L532-V554 HydrophobicContact CD2-CG2 4.33Å; L532-I557 HydrophobicContact CB-CG1 4.04Å; L532-I557 HydrophobicContact CD1-CD1 4.08Å; L532-I557 HydrophobicContact CD1-CG1 3.79Å; L532-I557 HydrophobicContact CD2-CG1 4.32Å; L532-I557 HydrophobicContact CG-CG1 4.25Å
533	R	88.8	Confident	85.7	Confident	107 Å²	107	54.4 Å²	54.4	40%	0.404	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-46.8	175.9	-75.2	178.4	-133.1	161.3	-2.2	110.2	E284 Q529 N530 R536 T537	E284-R533 IonicContact OE1-NH2 3.85Å; E284-R533 PolarHBondContact OE1-NH2 2.73Å; E284-R533 IonicContact OE2-NH2 3.33Å; E284-R533 PolarHBondContact OE2-NH2 2.81Å; Q529-R533 WeakPolarHBondContact O-CB 3.5Å; Q529-R533 VanDerWaalsContact O-CG 3.25Å; Q529-R533 WeakPolarHBondContact O-CG 3.39Å; Q529-R533 PolarHBondContact O-N 3.48Å; N530-R533 PolarHBondContact O-N 2.97Å; N530-R533 PolarHBondContact OD1-NH1 2.96Å; R533-R536 PolarHBondContact O-N 3.38Å; R533-T537 WeakPolarHBondContact O-CG2 3.27Å; R533-T537 PolarHBondContact O-N 3.48Å; R533-T537 PolarHBondContact O-OG1 3.25Å
534	R	87.3	Confident	85.6	Confident	89 Å²	89	55.9 Å²	55.9	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-47.3	178.1	-179.4	173.3	179.2	173.5	1.8	111.9	N530 I531 L532 R536 T537 D538 V581	N530-R534 WeakPolarHBondContact O-CB 3.16Å; N530-R534 PolarHBondContact O-N 3.28Å; I531-R534 PolarHBondContact O-N 2.78Å; L532-R534 VanDerWaalsContact C-N 3.33Å; R534-R536 VanDerWaalsContact C-N 3.3Å; R534-R536 PolarHBondContact O-N 3.24Å; R534-T537 WeakPolarHBondContact CA-OG1 3.16Å; R534-T537 PolarHBondContact O-N 3.04Å; R534-T537 VanDerWaalsContact O-N 3.12Å; R534-T537 PolarHBondContact O-OG1 2.93Å; R534-D538 VanDerWaalsContact CG-OD2 3.31Å; R534-D538 WeakPolarHBondContact CG-OD2 3.4Å; R534-D538 IonicContact NE-OD2 3.68Å; R534-D538 PolarHBondContact NE-OD2 2.99Å; R534-D538 WeakPolarHBondContact O-CB 3.38Å; R534-D538 VanDerWaalsContact O-CG 3.28Å; R534-D538 PolarHBondContact O-N 3.4Å; R534-V581 VanDerWaalsContact NH1-CG2 3.29Å
535	L	89.2	Confident	85.4	Confident	3 Å²	3	63 Å²	63	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-57.4	-44.3	177.1	174.1	147.1	0	0	0	111.5	I531 L532 T537 D538 E539 P549 F582 W591	I531-L535 WeakPolarHBondContact O-CB 3.25Å; I531-L535 PolarHBondContact O-N 2.94Å; L532-L535 HydrophobicContact CD1-CD2 4.31Å; L532-L535 PolarHBondContact O-N 3.12Å; L535-T537 PolarHBondContact O-N 2.86Å; L535-D538 PolarHBondContact O-N 3.18Å; L535-E539 WeakPolarHBondContact O-CB 3.35Å; L535-E539 WeakPolarHBondContact O-CG 3.22Å; L535-E539 PolarHBondContact O-N 2.99Å; L535-P549 HydrophobicContact CD2-CB 3.57Å; L535-P549 HydrophobicContact CD2-CG 4.11Å; L535-F582 HydrophobicContact CD1-CB 3.62Å; L535-F582 HydrophobicContact CD1-CD2 4.26Å; L535-F582 HydrophobicContact CD1-CG 4.23Å; L535-W591 HydrophobicContact CD1-CD2 3.83Å; L535-W591 HydrophobicContact CD1-CE3 4.22Å; L535-W591 HydrophobicContact CD1-CH2 3.76Å; L535-W591 HydrophobicContact CD1-CZ2 3.33Å; L535-W591 HydrophobicContact CD1-CZ3 4.18Å; L535-W591 HydrophobicContact CD2-CD2 4.47Å; L535-W591 HydrophobicContact CD2-CE3 4.23Å; L535-W591 HydrophobicContact CD2-CZ3 4.26Å; L535-W591 HydrophobicContact CG-CD2 4.38Å
536	R	89.8	Confident	84.9	Confident	75 Å²	75	61.8 Å²	61.8	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-39.4	176.1	-72.4	171.5	179.3	179.3	-1.4	112.4	L532 R533 R534 H540 P549 F550 L552	L532-R536 HydrophobicContact CD1-CG 4.37Å; L532-R536 WeakPolarHBondContact O-CG 3.47Å; L532-R536 PolarHBondContact O-N 3.35Å; R533-R536 PolarHBondContact O-N 3.38Å; R534-R536 VanDerWaalsContact C-N 3.3Å; R534-R536 PolarHBondContact O-N 3.24Å; R536-H540 WeakPolarHBondContact O-CB 3.49Å; R536-H540 PolarHBondContact O-N 2.93Å; R536-P549 HydrophobicContact CG-CB 4.19Å; R536-P549 PolarHBondContact NE-O 2.85Å; R536-F550 HydrophobicContact CB-CE1 4.02Å; R536-F550 HydrophobicContact CB-CZ 4.23Å; R536-F550 HydrophobicContact CG-CD1 4.18Å; R536-F550 HydrophobicContact CG-CE1 4.1Å; R536-L552 PolarHBondContact NH2-O 3.28Å
537	T	87.9	Confident	84.6	Confident	73 Å²	73	64.6 Å²	64.6	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-70.2	-37.3	177.5	51.6	0	0	0	0	112.7	R533 R534 L535 R541	R533-T537 WeakPolarHBondContact O-CG2 3.27Å; R533-T537 PolarHBondContact O-N 3.48Å; R533-T537 PolarHBondContact O-OG1 3.25Å; R534-T537 WeakPolarHBondContact CA-OG1 3.16Å; R534-T537 PolarHBondContact O-N 3.04Å; R534-T537 VanDerWaalsContact O-N 3.12Å; R534-T537 PolarHBondContact O-OG1 2.93Å; L535-T537 PolarHBondContact O-N 2.86Å; T537-R541 WeakPolarHBondContact O-CD 3.23Å; T537-R541 VanDerWaalsContact O-CG 3.25Å; T537-R541 WeakPolarHBondContact O-CG 3.38Å; T537-R541 PolarHBondContact O-N 3.33Å
538	D	85.9	Confident	84.5	Confident	47 Å²	47	65.2 Å²	65.2	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-71.6	-43.1	-179.6	-69.4	-16.1	0	0	0	109.9	R534 L535 R541 L542	R534-D538 VanDerWaalsContact CG-OD2 3.31Å; R534-D538 WeakPolarHBondContact CG-OD2 3.4Å; R534-D538 IonicContact NE-OD2 3.68Å; R534-D538 PolarHBondContact NE-OD2 2.99Å; R534-D538 WeakPolarHBondContact O-CB 3.38Å; R534-D538 VanDerWaalsContact O-CG 3.28Å; R534-D538 PolarHBondContact O-N 3.4Å; L535-D538 PolarHBondContact O-N 3.18Å; D538-R541 WeakPolarHBondContact O-CB 3.46Å; D538-R541 PolarHBondContact O-N 3.12Å; D538-R541 IonicContact OD1-NH1 3.67Å; D538-L542 PolarHBondContact O-N 3.46Å
539	E	86.8	Confident	84.3	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-40.5	175.8	-74.2	-61.7	126.7	0	0	113	L535 R541 L542 N543 P549 R584 W591	L535-E539 WeakPolarHBondContact O-CB 3.35Å; L535-E539 WeakPolarHBondContact O-CG 3.22Å; L535-E539 PolarHBondContact O-N 2.99Å; E539-R541 PolarHBondContact O-N 3.48Å; E539-L542 PolarHBondContact O-N 3.25Å; E539-N543 CarbonylContact O-C 3.58Å; E539-N543 PolarHBondContact O-N 3.22Å; E539-P549 HydrophobicContact CB-CG 4.02Å; E539-P549 HydrophobicContact CG-CG 3.87Å; E539-R584 IonicContact OE1-CZ 2.58Å; E539-R584 IonicContact OE1-NE 3.44Å; E539-R584 PolarHBondContact OE1-NE 2.86Å; E539-R584 IonicContact OE1-NH2 2.95Å; E539-R584 IonicContact OE2-CZ 3.13Å; E539-R584 IonicContact OE2-NE 3.96Å; E539-R584 PolarHBondContact OE2-NE 3.49Å; E539-R584 IonicContact OE2-NH2 3.87Å; E539-R584 PolarHBondContact OE2-NH2 3.49Å; E539-W591 HydrophobicContact CG-CB 3.78Å; E539-W591 HydrophobicContact CG-CG 4.33Å; E539-W591 WeakPolarHBondContact OE1-CB 3.38Å; E539-W591 WeakPolarHBondContact OE2-CB 3.48Å
540	H	86.6	Confident	84.2	Confident	108 Å²	108	66.5 Å²	66.5	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-26.1	176.3	-169.8	66.5	0	0	0	113	R536 F550	R536-H540 WeakPolarHBondContact O-CB 3.49Å; R536-H540 PolarHBondContact O-N 2.93Å; H540-F550 HydrophobicContact CB-CZ 4.32Å
541	R	85.9	Confident	83.9	Confident	201 Å²	201	66 Å²	66	76%	0.758	32%	0.316	S	S	*	.	H	α-helix	trans	-75.4	-33.5	173.7	-72.8	167.5	178.7	-177.6	-0.7	112.6	T537 D538 E539	T537-R541 WeakPolarHBondContact O-CD 3.23Å; T537-R541 VanDerWaalsContact O-CG 3.25Å; T537-R541 WeakPolarHBondContact O-CG 3.38Å; T537-R541 PolarHBondContact O-N 3.33Å; D538-R541 WeakPolarHBondContact O-CB 3.46Å; D538-R541 PolarHBondContact O-N 3.12Å; D538-R541 IonicContact OD1-NH1 3.67Å; E539-R541 PolarHBondContact O-N 3.48Å
542	L	83.5	Confident	83.6	Confident	117 Å²	117	65.5 Å²	65.5	61%	0.613	31%	0.313	S	S	*	.	H	α-helix	trans	-82	-50.2	-179.4	-67.2	174.5	0	0	0	111.4	D538 E539	D538-L542 PolarHBondContact O-N 3.46Å; E539-L542 PolarHBondContact O-N 3.25Å
543	N	80.6	Confident	83.2	Confident	44 Å²	44	67.6 Å²	67.6	24%	0.235	32%	0.322	C	S	.	.			trans	-146.6	108.5	-179	-176.2	1.3	0	0	0	111	E539 E545 T546 D590	E539-N543 CarbonylContact O-C 3.58Å; E539-N543 PolarHBondContact O-N 3.22Å; N543-E545 PolarHBondContact O-N 3.18Å; N543-E545 PolarHBondContact OD1-N 2.79Å; N543-E545 VanDerWaalsContact OD1-N 3.14Å; N543-T546 HydrophobicContact CB-CG2 3.77Å; N543-T546 PolarHBondContact O-N 3.49Å; N543-T546 PolarHBondContact O-OG1 2.81Å; N543-D590 PolarHBondContact ND2-OD1 3.21Å; N543-D590 PolarHBondContact ND2-OD2 2.8Å
544	P	78.2	Confident	83	Confident	82 Å²	82	64 Å²	64	53%	0.532	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.2	-177.5	28.3	-34.3	0	0	0	113.9	T546	P544-T546 VanDerWaalsContact C-N 3.3Å
545	E	75.4	Confident	82.7	Confident	163 Å²	163	63 Å²	63	76%	0.762	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.7	-179.2	-61	-60.7	142.5	0	0	113.2	N543 S547	N543-E545 PolarHBondContact O-N 3.18Å; N543-E545 PolarHBondContact OD1-N 2.79Å; N543-E545 VanDerWaalsContact OD1-N 3.14Å; E545-S547 PolarHBondContact O-N 3.05Å
546	T	72.3	Confident	82.5	Confident	8 Å²	8	63 Å²	63	5%	0.049	31%	0.313	C	S	.	.			trans	-69	122.5	-178.7	48.8	0	0	0	0	112.3	N543 P544 F550 D590	N543-T546 HydrophobicContact CB-CG2 3.77Å; N543-T546 PolarHBondContact O-N 3.49Å; N543-T546 PolarHBondContact O-OG1 2.81Å; P544-T546 VanDerWaalsContact C-N 3.3Å; T546-F550 VanDerWaalsContact O-CD2 3.28Å; T546-F550 WeakPolarHBondContact O-CD2 3.46Å; T546-D590 HydrophobicContact CG2-CB 3.95Å; T546-D590 VanDerWaalsContact CG2-CG 3.45Å; T546-D590 WeakPolarHBondContact CG2-OD1 3.23Å
547	S	75.4	Confident	82.4	Confident	64 Å²	64	59.4 Å²	59.4	45%	0.448	30%	0.3	S	S	.	.			trans	-95.5	-34.8	-177.2	-175.4	0	0	0	0	113.4	E545 F550 L551	E545-S547 PolarHBondContact O-N 3.05Å; S547-F550 PolarHBondContact O-N 2.89Å; S547-F550 VanDerWaalsContact O-N 3.16Å; S547-L551 WeakPolarHBondContact O-CG 3.4Å; S547-L551 PolarHBondContact O-N 3.19Å
548	I	80.5	Confident	82.5	Confident	25 Å²	25	58.7 Å²	58.7	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-48.6	-168.6	-58.3	174.6	0	0	0	113.7	F550 L551 L552 W591 W594 N645	I548-F550 PolarHBondContact O-N 2.87Å; I548-F550 VanDerWaalsContact O-N 3.11Å; I548-L551 PolarHBondContact O-N 2.76Å; I548-L551 VanDerWaalsContact O-N 3.1Å; I548-L552 PolarHBondContact O-N 3.11Å; I548-W591 HydrophobicContact CG2-CZ3 4.45Å; I548-W594 HydrophobicContact CD1-CH2 4.43Å; I548-W594 HydrophobicContact CD1-CZ2 4.17Å; I548-N645 HydrophobicContact CD1-CB 4.36Å; I548-N645 HydrophobicContact CG1-CB 4.37Å
549	P	82.6	Confident	82.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-51.5	-32.1	174.6	-33.5	39.1	0	0	0	115.8	L535 R536 E539 W591	L535-P549 HydrophobicContact CD2-CB 3.57Å; L535-P549 HydrophobicContact CD2-CG 4.11Å; R536-P549 HydrophobicContact CG-CB 4.19Å; R536-P549 PolarHBondContact NE-O 2.85Å; E539-P549 HydrophobicContact CB-CG 4.02Å; E539-P549 HydrophobicContact CG-CG 3.87Å; P549-W591 HydrophobicContact CG-CE3 3.9Å
550	F	83.7	Confident	82.7	Confident	93 Å²	93	59.2 Å²	59.2	41%	0.408	29%	0.288	S	S	.	.	H	α-helix	trans	-86.1	-21.5	-176.1	-65.3	-84.1	0	0	0	112.6	R536 H540 T546 S547 I548	R536-F550 HydrophobicContact CB-CE1 4.02Å; R536-F550 HydrophobicContact CB-CZ 4.23Å; R536-F550 HydrophobicContact CG-CD1 4.18Å; R536-F550 HydrophobicContact CG-CE1 4.1Å; H540-F550 HydrophobicContact CB-CZ 4.32Å; T546-F550 VanDerWaalsContact O-CD2 3.28Å; T546-F550 WeakPolarHBondContact O-CD2 3.46Å; S547-F550 PolarHBondContact O-N 2.89Å; S547-F550 VanDerWaalsContact O-N 3.16Å; I548-F550 PolarHBondContact O-N 2.87Å; I548-F550 VanDerWaalsContact O-N 3.11Å
551	L	81.4	Confident	82.9	Confident	59 Å²	59	54.1 Å²	54.1	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-77.3	-28.6	174.4	-65	173.3	0	0	0	112.7	S547 I548 V641 I642 N645	S547-L551 WeakPolarHBondContact O-CG 3.4Å; S547-L551 PolarHBondContact O-N 3.19Å; I548-L551 PolarHBondContact O-N 2.76Å; I548-L551 VanDerWaalsContact O-N 3.1Å; L551-V641 HydrophobicContact CD1-CG1 4.2Å; L551-V641 HydrophobicContact CD2-CG1 3.94Å; L551-I642 HydrophobicContact CB-CG1 4.47Å; L551-N645 WeakPolarHBondContact CD1-ND2 3.49Å
552	L	82.7	Confident	83	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.244	C	C	.	.			trans	-70	142.5	-179.1	-65.7	-179.2	0	0	0	112.8	L532 R536 I548 D556 I557 W591 P593 F636 I642	L532-L552 HydrophobicContact CD1-CB 4.35Å; R536-L552 PolarHBondContact NH2-O 3.28Å; I548-L552 PolarHBondContact O-N 3.11Å; L552-D556 HydrophobicContact CB-CB 4.42Å; L552-D556 HydrophobicContact CD2-CB 4Å; L552-I557 HydrophobicContact CD1-CD1 4.06Å; L552-W591 HydrophobicContact CD1-CH2 3.39Å; L552-W591 HydrophobicContact CD1-CZ3 3.34Å; L552-P593 HydrophobicContact CD1-CG 4.31Å; L552-P593 HydrophobicContact CD2-CG 4.31Å; L552-F636 HydrophobicContact CD2-CD1 4.18Å; L552-F636 HydrophobicContact CD2-CE1 3.7Å; L552-F636 HydrophobicContact CD2-CZ 4.26Å; L552-I642 HydrophobicContact CD2-CD1 3.87Å
553	Q	82.4	Confident	83.3	Confident	51 Å²	51	48.5 Å²	48.5	24%	0.238	24%	0.241	C	C	.	.			trans	-102.2	174.9	172.9	-54.9	-142.7	-23.4	0	0	112.1	S499 D555 D556 I557	S499-Q553 PolarHBondContact O-OE1 3.33Å; Q553-D555 VanDerWaalsContact C-N 3.33Å; Q553-D555 PolarHBondContact O-N 3.08Å; Q553-D556 PolarHBondContact N-OD2 3.23Å; Q553-D556 WeakPolarHBondContact O-CB 3.37Å; Q553-D556 PolarHBondContact O-N 2.79Å; Q553-I557 PolarHBondContact O-N 3.45Å
554	V	83.8	Confident	83.7	Confident	32 Å²	32	46.5 Å²	46.5	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-39.1	-179.1	-174	0	0	0	0	111.5	N525 Q529 L532 D556 I557 R558	N525-V554 HydrophobicContact CB-CG1 4.05Å; Q529-V554 HydrophobicContact CG-CB 4.31Å; Q529-V554 HydrophobicContact CG-CG1 3.81Å; Q529-V554 HydrophobicContact CG-CG2 3.45Å; Q529-V554 VanDerWaalsContact CG-CG2 3.45Å; L532-V554 HydrophobicContact CD2-CG2 4.33Å; V554-D556 VanDerWaalsContact C-N 3.28Å; V554-D556 PolarHBondContact O-N 3.26Å; V554-I557 PolarHBondContact O-N 3.46Å; V554-R558 PolarHBondContact O-N 3.25Å
555	D	81.6	Confident	84.3	Confident	68 Å²	68	42.9 Å²	42.9	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-33.6	176.5	-72.6	-50.4	0	0	0	112.5	T501 Q553 R558 Y559	T501-D555 HydrophobicContact CG2-CB 4.25Å; Q553-D555 VanDerWaalsContact C-N 3.33Å; Q553-D555 PolarHBondContact O-N 3.08Å; D555-R558 PolarHBondContact O-N 3.13Å; D555-R558 IonicContact OD1-CZ 2.72Å; D555-R558 IonicContact OD1-NE 3.04Å; D555-R558 IonicContact OD1-NH2 2.72Å; D555-R558 PolarHBondContact OD1-NH2 3.05Å; D555-Y559 WeakPolarHBondContact O-CB 3.1Å; D555-Y559 PolarHBondContact O-N 3.22Å
556	D	84.6	Confident	84.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-41.2	176.1	-63.5	-48.8	0	0	0	111.5	T501 L552 Q553 V554 Y559 L560 F636	T501-D556 WeakPolarHBondContact CG2-OD1 3.45Å; L552-D556 HydrophobicContact CB-CB 4.42Å; L552-D556 HydrophobicContact CD2-CB 4Å; Q553-D556 PolarHBondContact N-OD2 3.23Å; Q553-D556 WeakPolarHBondContact O-CB 3.37Å; Q553-D556 PolarHBondContact O-N 2.79Å; V554-D556 VanDerWaalsContact C-N 3.28Å; V554-D556 PolarHBondContact O-N 3.26Å; D556-Y559 PolarHBondContact O-N 3.26Å; D556-L560 PolarHBondContact O-N 3.26Å; D556-F636 HydrophobicContact CB-CE1 3.7Å; D556-F636 HydrophobicContact CB-CZ 3.97Å
557	I	89.3	Confident	85.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-40.5	175.4	-66.1	-57.8	0	0	0	111.2	Y528 I531 L532 L552 Q553 V554 Y559 L560 I561 F582	Y528-I557 HydrophobicContact CD1-CG2 4.39Å; I531-I557 HydrophobicContact CB-CG2 4.49Å; I531-I557 HydrophobicContact CG2-CG2 4.24Å; L532-I557 HydrophobicContact CB-CG1 4.04Å; L532-I557 HydrophobicContact CD1-CD1 4.08Å; L532-I557 HydrophobicContact CD1-CG1 3.79Å; L532-I557 HydrophobicContact CD2-CG1 4.32Å; L532-I557 HydrophobicContact CG-CG1 4.25Å; L552-I557 HydrophobicContact CD1-CD1 4.06Å; Q553-I557 PolarHBondContact O-N 3.45Å; V554-I557 PolarHBondContact O-N 3.46Å; I557-Y559 VanDerWaalsContact C-N 3.33Å; I557-Y559 PolarHBondContact O-N 2.99Å; I557-L560 HydrophobicContact CD1-CD1 4.18Å; I557-L560 PolarHBondContact O-N 3.14Å; I557-I561 HydrophobicContact CG2-CD1 3.76Å; I557-I561 WeakPolarHBondContact O-CG1 3.47Å; I557-I561 PolarHBondContact O-N 2.63Å; I557-F582 HydrophobicContact CD1-CE2 4.46Å; I557-F582 HydrophobicContact CG2-CE2 4.24Å
558	R	88.3	Confident	86.1	Confident	58 Å²	58	38.2 Å²	38.2	22%	0.219	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-45.9	173.4	-179.5	169.1	62.5	163.6	-6.5	111	D523 Y528 V554 D555 L560 I561 E562	D523-R558 IonicContact OD2-CZ 3.19Å; D523-R558 IonicContact OD2-NH1 2.67Å; D523-R558 PolarHBondContact OD2-NH1 2.99Å; Y528-R558 HydrophobicContact CD1-CB 4.27Å; Y528-R558 HydrophobicContact CD2-CB 3.93Å; Y528-R558 HydrophobicContact CD2-CG 4.04Å; Y528-R558 HydrophobicContact CE1-CB 4.36Å; Y528-R558 HydrophobicContact CE1-CG 4.34Å; Y528-R558 HydrophobicContact CE2-CB 4.01Å; Y528-R558 HydrophobicContact CE2-CG 3.62Å; Y528-R558 HydrophobicContact CG-CB 4.06Å; V554-R558 PolarHBondContact O-N 3.25Å; D555-R558 PolarHBondContact O-N 3.13Å; D555-R558 IonicContact OD1-CZ 2.72Å; D555-R558 IonicContact OD1-NE 3.04Å; D555-R558 IonicContact OD1-NH2 2.72Å; D555-R558 PolarHBondContact OD1-NH2 3.05Å; R558-L560 PolarHBondContact O-N 3.27Å; R558-I561 PolarHBondContact O-N 3.12Å; R558-E562 VanDerWaalsContact CG-CD 3.49Å; R558-E562 HydrophobicContact CG-CG 4.2Å; R558-E562 WeakPolarHBondContact CG-OE1 3.44Å; R558-E562 WeakPolarHBondContact O-CB 3.19Å; R558-E562 PolarHBondContact O-N 3.5Å
559	Y	88.3	Confident	86.5	Confident	67 Å²	67	37.2 Å²	37.2	26%	0.263	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-45.3	176.1	-179.4	-92.6	0	0	0	112.2	D555 D556 I557 I561 K563 V564 H635	D555-Y559 WeakPolarHBondContact O-CB 3.1Å; D555-Y559 PolarHBondContact O-N 3.22Å; D556-Y559 PolarHBondContact O-N 3.26Å; I557-Y559 VanDerWaalsContact C-N 3.33Å; I557-Y559 PolarHBondContact O-N 2.99Å; Y559-I561 VanDerWaalsContact C-N 3.35Å; Y559-I561 PolarHBondContact O-N 2.96Å; Y559-K563 HydrophobicContact CD2-CB 3.81Å; Y559-K563 HydrophobicContact CD2-CG 3.64Å; Y559-K563 HydrophobicContact CE1-CB 4.41Å; Y559-K563 HydrophobicContact CE2-CB 3.62Å; Y559-K563 HydrophobicContact CE2-CG 3.67Å; Y559-K563 HydrophobicContact CG-CB 4.3Å; Y559-K563 HydrophobicContact CG-CG 4.44Å; Y559-K563 WeakPolarHBondContact O-CA 3.45Å; Y559-K563 WeakPolarHBondContact O-CB 3.33Å; Y559-K563 PolarHBondContact O-N 3.37Å; Y559-V564 HydrophobicContact CD1-CG2 4.18Å; Y559-V564 HydrophobicContact CE1-CG2 3.8Å; Y559-V564 PolarHBondContact O-N 3.08Å; Y559-H635 HydrophobicContact CD1-CB 4.36Å; Y559-H635 AromaticContact CD1-CE1 3.87Å; Y559-H635 AromaticContact CD1-CG 3.78Å; Y559-H635 AromaticContact CD1-ND1 3.67Å; Y559-H635 AromaticContact CD2-NE2 3.89Å; Y559-H635 HydrophobicContact CE1-CB 3.54Å; Y559-H635 AromaticContact CE1-CD2 3.57Å; Y559-H635 AromaticContact CE1-CG 3.31Å; Y559-H635 AromaticContact CE1-ND1 3.71Å; Y559-H635 AromaticContact CE2-CD2 3.64Å; Y559-H635 AromaticContact CE2-NE2 3.87Å; Y559-H635 AromaticContact CG-CE1 3.95Å; Y559-H635 AromaticContact CZ-CD2 3.34Å; Y559-H635 AromaticContact CZ-CG 3.58Å; Y559-H635 AromaticContact CZ-NE2 3.98Å
560	L	89.9	Confident	86.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-57.5	-48.1	175.9	-81.7	169.1	0	0	0	111.2	D556 I557 R558 V564 W565 F582 W591 P593 A632 F636	D556-L560 PolarHBondContact O-N 3.26Å; I557-L560 HydrophobicContact CD1-CD1 4.18Å; I557-L560 PolarHBondContact O-N 3.14Å; R558-L560 PolarHBondContact O-N 3.27Å; L560-V564 HydrophobicContact CD2-CB 4.3Å; L560-V564 HydrophobicContact CD2-CG2 4.08Å; L560-V564 VanDerWaalsContact O-CB 3.28Å; L560-V564 WeakPolarHBondContact O-CB 3.45Å; L560-V564 PolarHBondContact O-N 2.89Å; L560-W565 VanDerWaalsContact O-CD1 3.23Å; L560-W565 PolarHBondContact O-N 3.17Å; L560-F582 HydrophobicContact CB-CE2 4.45Å; L560-F582 HydrophobicContact CB-CZ 3.79Å; L560-W591 HydrophobicContact CD1-CH2 4.36Å; L560-P593 HydrophobicContact CD1-CB 4.37Å; L560-P593 HydrophobicContact CD2-CB 4.27Å; L560-A632 HydrophobicContact CD2-CB 4.05Å; L560-F636 HydrophobicContact CD1-CE2 4.11Å; L560-F636 HydrophobicContact CD1-CZ 4.07Å; L560-F636 HydrophobicContact CD2-CE2 3.81Å; L560-F636 HydrophobicContact CD2-CZ 4.46Å; L560-F636 HydrophobicContact CG-CE2 3.82Å; L560-F636 HydrophobicContact CG-CZ 3.96Å
561	I	89.8	Confident	86.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-68.9	-52.5	-177.4	-68.1	164.2	0	0	0	111.1	Y528 I531 I557 R558 Y559 W565 S566 S567 F582 L598	Y528-I561 HydrophobicContact CD1-CD1 3.63Å; Y528-I561 HydrophobicContact CE1-CB 4.11Å; Y528-I561 HydrophobicContact CE1-CD1 3.78Å; Y528-I561 HydrophobicContact CE1-CG2 4.14Å; I531-I561 HydrophobicContact CD1-CD1 3.58Å; I531-I561 HydrophobicContact CG2-CD1 4.45Å; I557-I561 HydrophobicContact CG2-CD1 3.76Å; I557-I561 WeakPolarHBondContact O-CG1 3.47Å; I557-I561 PolarHBondContact O-N 2.63Å; R558-I561 PolarHBondContact O-N 3.12Å; Y559-I561 VanDerWaalsContact C-N 3.35Å; Y559-I561 PolarHBondContact O-N 2.96Å; I561-W565 CarbonylContact O-C 3.56Å; I561-W565 VanDerWaalsContact O-C 3.31Å; I561-S566 PolarHBondContact O-N 3.45Å; I561-S567 PolarHBondContact O-N 3Å; I561-F582 HydrophobicContact CD1-CE2 3.9Å; I561-F582 HydrophobicContact CD1-CZ 4.41Å; I561-F582 HydrophobicContact CG1-CE2 3.62Å; I561-F582 HydrophobicContact CG1-CZ 3.63Å; I561-L598 HydrophobicContact CG1-CD1 4.35Å; I561-L598 HydrophobicContact CG1-CD2 4.14Å; I561-L598 HydrophobicContact CG2-CD2 4.22Å
562	E	89.4	Confident	86.7	Confident	73 Å²	73	39.4 Å²	39.4	34%	0.341	21%	0.205	S	C	.	.	I	π-helix	trans	-78.4	-41.1	-171.2	-66.8	177.7	-175.6	0	0	113.4	Y528 R558 S566	Y528-E562 WeakPolarHBondContact OH-CG 3.43Å; Y528-E562 PolarHBondContact OH-OE1 3.46Å; R558-E562 VanDerWaalsContact CG-CD 3.49Å; R558-E562 HydrophobicContact CG-CG 4.2Å; R558-E562 WeakPolarHBondContact CG-OE1 3.44Å; R558-E562 WeakPolarHBondContact O-CB 3.19Å; R558-E562 PolarHBondContact O-N 3.5Å; E562-S566 WeakPolarHBondContact O-CA 3.13Å
563	K	88.8	Confident	86.7	Confident	128 Å²	128	41.3 Å²	41.3	56%	0.557	22%	0.224	S	C	*	.	I	π-helix	trans	-98.1	-38.2	-172.5	-59.6	-58.9	-176.7	-172.6	0	113.1	Y559	Y559-K563 HydrophobicContact CD2-CB 3.81Å; Y559-K563 HydrophobicContact CD2-CG 3.64Å; Y559-K563 HydrophobicContact CE1-CB 4.41Å; Y559-K563 HydrophobicContact CE2-CB 3.62Å; Y559-K563 HydrophobicContact CE2-CG 3.67Å; Y559-K563 HydrophobicContact CG-CB 4.3Å; Y559-K563 HydrophobicContact CG-CG 4.44Å; Y559-K563 WeakPolarHBondContact O-CA 3.45Å; Y559-K563 WeakPolarHBondContact O-CB 3.33Å; Y559-K563 PolarHBondContact O-N 3.37Å
564	V	89.8	Confident	86.8	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.223	C	C	.	.	I	π-helix	trans	-83.5	-54.5	178.7	-178.6	0	0	0	0	110.1	Y559 L560 K628 A632	Y559-V564 HydrophobicContact CD1-CG2 4.18Å; Y559-V564 HydrophobicContact CE1-CG2 3.8Å; Y559-V564 PolarHBondContact O-N 3.08Å; L560-V564 HydrophobicContact CD2-CB 4.3Å; L560-V564 HydrophobicContact CD2-CG2 4.08Å; L560-V564 VanDerWaalsContact O-CB 3.28Å; L560-V564 WeakPolarHBondContact O-CB 3.45Å; L560-V564 PolarHBondContact O-N 2.89Å; V564-K628 HydrophobicContact CG1-CB 3.84Å; V564-K628 HydrophobicContact CG1-CD 4.45Å; V564-K628 WeakPolarHBondContact CG1-O 3.27Å; V564-K628 VanDerWaalsContact O-CD 3.25Å; V564-K628 WeakPolarHBondContact O-CD 3.26Å; V564-K628 VanDerWaalsContact O-CE 3.26Å; V564-K628 WeakPolarHBondContact O-CE 3.43Å; V564-K628 PolarHBondContact O-NZ 3.06Å; V564-A632 HydrophobicContact CG1-CB 4.5Å; V564-A632 HydrophobicContact CG2-CB 4.35Å
565	W	89.6	Confident	86.8	Confident	6 Å²	6	48.6 Å²	48.6	2%	0.023	25%	0.251	C	S	.	.	S	Bend	trans	-96.2	3.8	-174.2	-65.1	98.5	0	0	0	114.9	L560 I561 S567 C568 A570 F582 C596 I597 L598 W624 V625 K628	L560-W565 VanDerWaalsContact O-CD1 3.23Å; L560-W565 PolarHBondContact O-N 3.17Å; I561-W565 CarbonylContact O-C 3.56Å; I561-W565 VanDerWaalsContact O-C 3.31Å; W565-S567 PolarHBondContact O-N 3.44Å; W565-S567 VanDerWaalsContact O-N 3.11Å; W565-C568 PolarHBondContact O-N 3.26Å; W565-A570 HydrophobicContact CE3-CB 4.37Å; W565-A570 HydrophobicContact CZ3-CB 3.89Å; W565-F582 AromaticContact CD1-CE1 3.73Å; W565-F582 AromaticContact NE1-CE1 3.74Å; W565-C596 WeakPolarHBondContact CZ2-O 3.36Å; W565-I597 HydrophobicContact CH2-CB 4.3Å; W565-I597 HydrophobicContact CH2-CG1 4Å; W565-I597 HydrophobicContact CZ3-CG1 4.22Å; W565-L598 HydrophobicContact CB-CB 4.08Å; W565-L598 HydrophobicContact CB-CD2 3.53Å; W565-L598 HydrophobicContact CB-CG 4.47Å; W565-L598 HydrophobicContact CD2-CB 3.82Å; W565-L598 HydrophobicContact CE3-CB 4.13Å; W565-L598 HydrophobicContact CG-CB 3.78Å; W565-L598 HydrophobicContact CG-CD2 4.07Å; W565-W624 HydrophobicContact CE3-CH2 4.04Å; W565-W624 HydrophobicContact CE3-CZ3 4.45Å; W565-W624 AromaticContact CZ3-CH2 3.81Å; W565-W624 HydrophobicContact CZ3-CH2 3.81Å; W565-W624 AromaticContact CZ3-CZ3 3.77Å; W565-W624 HydrophobicContact CZ3-CZ3 3.77Å; W565-V625 HydrophobicContact CH2-CG1 4.17Å; W565-V625 HydrophobicContact CH2-CG2 4.36Å; W565-K628 HydrophobicContact CZ2-CB 4.41Å
566	S	88.4	Confident	86.8	Confident	73 Å²	73	48.8 Å²	48.8	51%	0.51	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	31	175.7	-56.4	0	0	0	0	114.4	I561 E562 C568	I561-S566 PolarHBondContact O-N 3.45Å; E562-S566 WeakPolarHBondContact O-CA 3.13Å; S566-C568 PolarHBondContact O-N 3.46Å; S566-C568 PolarHBondContact O-SG 2.84Å
567	S	85.9	Confident	86.7	Confident	32 Å²	32	50.8 Å²	50.8	22%	0.224	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.5	-179.6	-54.3	0	0	0	0	114.8	I561 W565	I561-S567 PolarHBondContact O-N 3Å; W565-S567 PolarHBondContact O-N 3.44Å; W565-S567 VanDerWaalsContact O-N 3.11Å
568	C	87.7	Confident	86.3	Confident	32 Å²	32	54.5 Å²	54.5	22%	0.216	28%	0.277	C	S	.	.	S	Bend	trans	-126.9	147.8	-179.2	-61.4	0	0	0	0	111.7	W565 S566 S574	W565-C568 PolarHBondContact O-N 3.26Å; S566-C568 PolarHBondContact O-N 3.46Å; S566-C568 PolarHBondContact O-SG 2.84Å; C568-S574 CarbonylContact C-O 3.58Å; C568-S574 WeakPolarHBondContact CA-O 3.48Å
569	S	89.3	Confident	86.1	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.028	27%	0.271	C	S	.	.			trans	-67.1	142.2	166	68.3	0	0	0	0	110.8	L571 N572 G573 S574 L598 E603	S569-L571 VanDerWaalsContact C-N 3.31Å; S569-L571 PolarHBondContact O-N 3.21Å; S569-N572 PolarHBondContact OG-N 3.41Å; S569-G573 VanDerWaalsContact O-CA 3.26Å; S569-G573 WeakPolarHBondContact O-CA 3.48Å; S569-G573 PolarHBondContact O-N 3.46Å; S569-G573 VanDerWaalsContact O-N 3.13Å; S569-G573 PolarHBondContact OG-N 3.4Å; S569-S574 WeakPolarHBondContact CB-OG 3.44Å; S569-S574 PolarHBondContact N-O 2.88Å; S569-S574 PolarHBondContact OG-N 3.06Å; S569-S574 PolarHBondContact OG-OG 3.25Å; S569-L598 WeakPolarHBondContact CA-O 3.35Å; S569-E603 WeakPolarHBondContact CB-OE2 3.37Å; S569-E603 PolarHBondContact OG-OE1 3.33Å
570	A	86	Confident	86	Confident	16 Å²	16	49.6 Å²	49.6	13%	0.132	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.3	-175.4	0	0	0	0	0	113.1	W565 I597 L598 L599 F621 W624	W565-A570 HydrophobicContact CE3-CB 4.37Å; W565-A570 HydrophobicContact CZ3-CB 3.89Å; A570-I597 HydrophobicContact CB-CD1 3.84Å; A570-I597 HydrophobicContact CB-CG1 3.79Å; A570-L598 WeakPolarHBondContact CB-O 3.48Å; A570-L598 PolarHBondContact N-O 2.94Å; A570-L599 HydrophobicContact CB-CD2 4.21Å; A570-F621 HydrophobicContact CB-CE2 4.43Å; A570-F621 HydrophobicContact CB-CZ 4.05Å; A570-W624 HydrophobicContact CB-CH2 4.31Å; A570-W624 HydrophobicContact CB-CZ3 4.05Å
571	L	84.4	Confident	86	Confident	69 Å²	69	49.8 Å²	49.8	36%	0.361	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-60.8	-176.8	-57.2	175.8	0	0	0	112.6	S569 L599 E603 Y617 F621	S569-L571 VanDerWaalsContact C-N 3.31Å; S569-L571 PolarHBondContact O-N 3.21Å; L571-L599 HydrophobicContact CD1-CD2 3.81Å; L571-L599 HydrophobicContact CG-CD2 3.79Å; L571-E603 HydrophobicContact CB-CG 4.12Å; L571-E603 HydrophobicContact CD1-CB 4.27Å; L571-E603 HydrophobicContact CD1-CG 4.13Å; L571-Y617 HydrophobicContact CD1-CE1 4.49Å; L571-Y617 HydrophobicContact CD2-CE1 3.77Å; L571-F621 HydrophobicContact CD2-CE1 4.08Å; L571-F621 HydrophobicContact CD2-CE2 4.26Å; L571-F621 HydrophobicContact CD2-CZ 3.65Å
572	N	80.9	Confident	86	Confident	115 Å²	115	50.2 Å²	50.2	62%	0.615	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.4	-177.5	-65.3	-15.8	0	0	0	114.3	S569 S574 E603	S569-N572 PolarHBondContact OG-N 3.41Å; N572-S574 PolarHBondContact O-N 3.39Å; N572-E603 WeakPolarHBondContact CB-OE1 3.34Å; N572-E603 PolarHBondContact N-OE1 3.02Å; N572-E603 VanDerWaalsContact N-OE1 3.12Å; N572-E603 PolarHBondContact ND2-OE1 2.87Å
573	G	83.1	Confident	86	Confident	40 Å²	40	47.4 Å²	47.4	41%	0.412	25%	0.252	S	S	.	.			trans	64.8	20.3	-177	0	0	0	0	0	114.1	S569 R575	S569-G573 VanDerWaalsContact O-CA 3.26Å; S569-G573 WeakPolarHBondContact O-CA 3.48Å; S569-G573 PolarHBondContact O-N 3.46Å; S569-G573 VanDerWaalsContact O-N 3.13Å; S569-G573 PolarHBondContact OG-N 3.4Å; G573-R575 PolarHBondContact O-N 2.93Å
574	S	83.3	Confident	86.1	Confident	31 Å²	31	42.8 Å²	42.8	22%	0.217	23%	0.231	C	C	.	.			trans	-67.9	131	-177.1	66.7	0	0	0	0	110.8	C568 S569 N572	C568-S574 CarbonylContact C-O 3.58Å; C568-S574 WeakPolarHBondContact CA-O 3.48Å; S569-S574 WeakPolarHBondContact CB-OG 3.44Å; S569-S574 PolarHBondContact N-O 2.88Å; S569-S574 PolarHBondContact OG-N 3.06Å; S569-S574 PolarHBondContact OG-OG 3.25Å; N572-S574 PolarHBondContact O-N 3.39Å
575	R	83.8	Confident	86.1	Confident	205 Å²	205	43.7 Å²	43.7	77%	0.774	23%	0.234	S	C	*	.			trans	-94.9	2.9	-179.3	-64.7	-175.3	-178.3	-178.9	2	114	G573 I577	G573-R575 PolarHBondContact O-N 2.93Å; R575-I577 PolarHBondContact O-N 3.49Å; R575-I577 VanDerWaalsContact O-N 3.08Å
576	D	82.9	Confident	85.9	Confident	73 Å²	73	45.9 Å²	45.9	39%	0.39	25%	0.246	S	C	.	.			trans	-79	94.1	-179.2	-178.4	15	0	0	0	110.4	Y578 N579 L580	D576-Y578 PolarHBondContact O-N 3.29Å; D576-Y578 WeakPolarHBondContact OD1-CD2 3.42Å; D576-Y578 PolarHBondContact OD1-N 2.94Å; D576-N579 HydrophobicContact CB-CB 4.32Å; D576-N579 PolarHBondContact O-N 3.42Å; D576-L580 WeakPolarHBondContact O-CG 3.29Å; D576-L580 PolarHBondContact O-N 3.35Å
577	I	82.3	Confident	85.7	Confident	44 Å²	44	45.5 Å²	45.5	23%	0.226	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-53.7	-29.3	-177.8	-49.6	176.5	0	0	0	111.9	V527 Y528 I531 R575 N579 L580	V527-I577 HydrophobicContact CB-CG2 4.5Å; V527-I577 HydrophobicContact CG1-CB 4.23Å; V527-I577 HydrophobicContact CG1-CG2 3.61Å; Y528-I577 HydrophobicContact CE1-CG2 4.2Å; I531-I577 HydrophobicContact CD1-CG2 4.23Å; R575-I577 PolarHBondContact O-N 3.49Å; R575-I577 VanDerWaalsContact O-N 3.08Å; I577-N579 VanDerWaalsContact C-N 3.27Å; I577-N579 PolarHBondContact O-N 3.34Å; I577-L580 PolarHBondContact O-N 2.94Å
578	Y	79.9	Confident	85.6	Confident	77 Å²	77	51.6 Å²	51.6	30%	0.302	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72.1	-22.6	179.7	-64.2	-90.7	0	0	0	113.4	R273 V527 D576	R273-Y578 VanDerWaalsContact NH2-CD1 3.29Å; R273-Y578 VanDerWaalsContact NH2-CG 3.32Å; V527-Y578 HydrophobicContact CB-CE1 4.35Å; V527-Y578 HydrophobicContact CG1-CD1 4.03Å; V527-Y578 HydrophobicContact CG1-CE1 4.1Å; V527-Y578 HydrophobicContact CG1-CG 4.35Å; V527-Y578 HydrophobicContact CG2-CD1 4.17Å; V527-Y578 HydrophobicContact CG2-CE1 3.39Å; V527-Y578 HydrophobicContact CG2-CE2 4.19Å; V527-Y578 WeakPolarHBondContact CG2-OH 3.49Å; D576-Y578 PolarHBondContact O-N 3.29Å; D576-Y578 WeakPolarHBondContact OD1-CD2 3.42Å; D576-Y578 PolarHBondContact OD1-N 2.94Å
579	N	84.1	Confident	85.4	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.102	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-96.5	-5.8	176.6	-161	24.7	0	0	0	112.9	D576 I577 S600 K601	D576-N579 HydrophobicContact CB-CB 4.32Å; D576-N579 PolarHBondContact O-N 3.42Å; I577-N579 VanDerWaalsContact C-N 3.27Å; I577-N579 PolarHBondContact O-N 3.34Å; N579-S600 CarbonylContact O-C 3.35Å; N579-S600 WeakPolarHBondContact O-CA 3.41Å; N579-K601 PolarHBondContact O-N 3.2Å; N579-K601 WeakPolarHBondContact OD1-CB 3.31Å; N579-K601 VanDerWaalsContact OD1-CG 3.3Å; N579-K601 WeakPolarHBondContact OD1-CG 3.18Å
580	L	88.1	Confident	85.3	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.3	179.7	-60.8	-179.7	0	0	0	111.8	D576 I577 L598 L599	D576-L580 WeakPolarHBondContact O-CG 3.29Å; D576-L580 PolarHBondContact O-N 3.35Å; I577-L580 PolarHBondContact O-N 2.94Å; L580-L598 HydrophobicContact CB-CD1 3.86Å; L580-L598 HydrophobicContact CB-CG 4.22Å; L580-L598 HydrophobicContact CD1-CD2 3.88Å; L580-L598 HydrophobicContact CD1-CG 4.27Å; L580-L598 HydrophobicContact CD2-CG 4.49Å; L580-L599 CarbonylContact C-O 3.53Å; L580-L599 WeakPolarHBondContact CA-O 2.87Å
581	V	88.4	Confident	85.5	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.3	-179.7	-171.4	0	0	0	0	108.8	R534 L599 K601 I604	R534-V581 VanDerWaalsContact NH1-CG2 3.29Å; V581-L599 PolarHBondContact N-O 2.96Å; V581-L599 PolarHBondContact O-N 3.32Å; V581-K601 HydrophobicContact CG2-CG 3.76Å; V581-I604 HydrophobicContact CB-CD1 3.42Å; V581-I604 VanDerWaalsContact CB-CD1 3.42Å; V581-I604 HydrophobicContact CB-CG1 4.48Å; V581-I604 HydrophobicContact CG1-CD1 3.65Å; V581-I604 HydrophobicContact CG2-CD1 3.74Å
582	F	90.9	Very high	85.7	Confident	9 Å²	9	55 Å²	55	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.8	170.6	-77.5	-68.2	0	0	0	110.9	I531 L535 I557 L560 I561 W565 W591 C596 I597 L598	I531-F582 HydrophobicContact CG2-CD2 3.8Å; I531-F582 HydrophobicContact CG2-CE2 4.25Å; L535-F582 HydrophobicContact CD1-CB 3.62Å; L535-F582 HydrophobicContact CD1-CD2 4.26Å; L535-F582 HydrophobicContact CD1-CG 4.23Å; I557-F582 HydrophobicContact CD1-CE2 4.46Å; I557-F582 HydrophobicContact CG2-CE2 4.24Å; L560-F582 HydrophobicContact CB-CE2 4.45Å; L560-F582 HydrophobicContact CB-CZ 3.79Å; I561-F582 HydrophobicContact CD1-CE2 3.9Å; I561-F582 HydrophobicContact CD1-CZ 4.41Å; I561-F582 HydrophobicContact CG1-CE2 3.62Å; I561-F582 HydrophobicContact CG1-CZ 3.63Å; W565-F582 AromaticContact CD1-CE1 3.73Å; W565-F582 AromaticContact NE1-CE1 3.74Å; F582-W591 HydrophobicContact CB-CZ2 4.36Å; F582-W591 HydrophobicContact CG-CZ2 4.32Å; F582-C596 HydrophobicContact CD1-CB 4.11Å; F582-I597 WeakPolarHBondContact CA-O 3.26Å; F582-L598 HydrophobicContact CD1-CB 4.32Å; F582-L598 HydrophobicContact CD1-CD1 4.03Å; F582-L598 HydrophobicContact CD2-CD1 4.26Å; F582-L598 HydrophobicContact CE1-CB 3.97Å; F582-L598 HydrophobicContact CE1-CD1 3.84Å; F582-L598 HydrophobicContact CE1-CG 4.41Å; F582-L598 HydrophobicContact CE2-CD1 4.08Å; F582-L598 HydrophobicContact CG-CD1 4.23Å; F582-L598 HydrophobicContact CZ-CD1 3.85Å
583	A	88.8	Confident	86	Confident	13 Å²	13	49.5 Å²	49.5	11%	0.107	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	164.1	167.6	0	0	0	0	0	110.1	C596 I597 L599	A583-C596 CarbonylContact O-C 3.51Å; A583-C596 WeakPolarHBondContact O-CA 3.36Å; A583-I597 HydrophobicContact CB-CG2 4.09Å; A583-I597 PolarHBondContact N-O 3.25Å; A583-I597 PolarHBondContact O-N 3.14Å; A583-L599 HydrophobicContact CB-CD1 4.33Å
584	R	90.4	Very high	86.2	Confident	31 Å²	31	49.1 Å²	49.1	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.8	167.5	-64.5	177.3	179.5	-153.4	-6.9	108.8	E539 V587 E589 D590 W591 H607	E539-R584 IonicContact OE1-CZ 2.58Å; E539-R584 IonicContact OE1-NE 3.44Å; E539-R584 PolarHBondContact OE1-NE 2.86Å; E539-R584 IonicContact OE1-NH2 2.95Å; E539-R584 IonicContact OE2-CZ 3.13Å; E539-R584 IonicContact OE2-NE 3.96Å; E539-R584 PolarHBondContact OE2-NE 3.49Å; E539-R584 IonicContact OE2-NH2 3.87Å; E539-R584 PolarHBondContact OE2-NH2 3.49Å; R584-V587 PolarHBondContact NH1-O 3.36Å; R584-E589 WeakPolarHBondContact CD-O 3.12Å; R584-E589 PolarHBondContact NH1-O 3.44Å; R584-D590 IonicContact CZ-OD1 3.69Å; R584-D590 IonicContact NH1-OD1 3.72Å; R584-D590 IonicContact NH2-OD1 3.22Å; R584-D590 PolarHBondContact NH2-OD1 3.42Å; R584-W591 HydrophobicContact CG-CB 4.02Å; R584-H607 PolarHBondContact O-CD2 2.74Å; R584-H607 PolarHBondContact O-NE2 2.72Å; R584-H607 VanDerWaalsContact O-NE2 3.09Å
585	W	89.2	Confident	86.6	Confident	20 Å²	20	47.8 Å²	47.8	8%	0.076	22%	0.223	C	C	.	.	S	Bend	trans	-77.8	-50	174.5	169.7	-111	0	0	0	110.5	N595 I597 H607 I613 Y617 F621 I622 V625 H629	W585-N595 WeakPolarHBondContact CB-OD1 3.27Å; W585-N595 PolarHBondContact N-O 3.15Å; W585-N595 PolarHBondContact N-OD1 2.74Å; W585-I597 HydrophobicContact CE3-CB 4.08Å; W585-I597 HydrophobicContact CE3-CD1 3.57Å; W585-I597 HydrophobicContact CE3-CG1 4.38Å; W585-I597 HydrophobicContact CE3-CG2 4.34Å; W585-I597 HydrophobicContact CZ3-CD1 3.48Å; W585-I597 VanDerWaalsContact CZ3-CD1 3.48Å; W585-H607 AromaticContact CE3-CE1 3.91Å; W585-H607 PolarHBondContact O-NE2 3.12Å; W585-I613 HydrophobicContact CD2-CD1 4.3Å; W585-I613 HydrophobicContact CG-CD1 4.3Å; W585-I613 HydrophobicContact CH2-CG2 3.73Å; W585-I613 HydrophobicContact CZ2-CG2 3.34Å; W585-I613 HydrophobicContact CZ3-CG2 4.44Å; W585-I613 WeakPolarHBondContact O-CD1 3.22Å; W585-Y617 HydrophobicContact CH2-CD2 4.01Å; W585-Y617 HydrophobicContact CH2-CE2 4.44Å; W585-Y617 HydrophobicContact CH2-CG 4.33Å; W585-Y617 HydrophobicContact CZ3-CD2 4.23Å; W585-Y617 HydrophobicContact CZ3-CE2 4.19Å; W585-F621 AromaticContact CH2-CD1 4Å; W585-F621 HydrophobicContact CH2-CD1 4Å; W585-F621 AromaticContact CH2-CE1 3.75Å; W585-F621 HydrophobicContact CH2-CE1 3.75Å; W585-F621 AromaticContact CZ3-CE1 3.85Å; W585-F621 HydrophobicContact CZ3-CE1 3.85Å; W585-I622 HydrophobicContact CH2-CG1 4.49Å; W585-I622 HydrophobicContact CZ2-CG1 4.15Å; W585-I622 HydrophobicContact CZ2-CG2 4.45Å; W585-V625 HydrophobicContact CD2-CG1 3.86Å; W585-V625 HydrophobicContact CE3-CG1 4.21Å; W585-V625 HydrophobicContact CG-CG1 4.27Å; W585-V625 HydrophobicContact CH2-CB 4.33Å; W585-V625 HydrophobicContact CH2-CG1 4.41Å; W585-V625 HydrophobicContact CH2-CG2 3.95Å; W585-V625 HydrophobicContact CZ2-CB 4.14Å; W585-V625 HydrophobicContact CZ2-CG1 4.08Å; W585-V625 HydrophobicContact CZ2-CG2 4.27Å; W585-V625 HydrophobicContact CZ3-CG1 4.49Å; W585-V625 HydrophobicContact CZ3-CG2 4.15Å; W585-H629 AromaticContact CD1-CE1 3.71Å; W585-H629 AromaticContact CG-CE1 3.81Å
586	D	86.7	Confident	86.9	Confident	52 Å²	52	38 Å²	38	28%	0.278	19%	0.187	S	C	.	.	S	Bend	trans	-100.8	121.4	163.5	-167.3	-16.4	0	0	0	109.9	Q588 E589 N595 I613	D586-Q588 PolarHBondContact O-N 3.5Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.44Å; D586-Q588 PolarHBondContact OD1-N 2.89Å; D586-E589 PolarHBondContact O-N 3.28Å; D586-N595 PolarHBondContact N-OD1 3.47Å; D586-N595 PolarHBondContact O-ND2 3.41Å; D586-N595 VanDerWaalsContact O-ND2 3.13Å; D586-I613 HydrophobicContact CB-CD1 3.89Å
587	V	84.1	Confident	87.3	Confident	66 Å²	66	34.5 Å²	34.5	40%	0.4	17%	0.168	S	C	.	.	S	Bend	trans	-64.6	-28.8	-178.9	-176.5	0	0	0	0	111.2	R584	R584-V587 PolarHBondContact NH1-O 3.36Å
588	Q	83.6	Confident	87.7	Confident	160 Å²	160	32.4 Å²	32.4	75%	0.748	16%	0.157	S	C	*	.	S	Bend	trans	-75.3	-30.1	-177.8	-58.3	-58.5	-27.8	0	0	112.8	D586	D586-Q588 PolarHBondContact O-N 3.5Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.44Å; D586-Q588 PolarHBondContact OD1-N 2.89Å
589	E	83.9	Confident	88.3	Confident	113 Å²	113	28.8 Å²	28.8	53%	0.528	14%	0.143	S	C	.	.	S	Bend	trans	-90.9	151	177.6	-70.3	-168.3	171.5	0	0	111.3	R584 D586 N595	R584-E589 WeakPolarHBondContact CD-O 3.12Å; R584-E589 PolarHBondContact NH1-O 3.44Å; D586-E589 PolarHBondContact O-N 3.28Å; E589-N595 VanDerWaalsContact CB-ND2 3.31Å; E589-N595 WeakPolarHBondContact CB-ND2 3.34Å; E589-N595 PolarHBondContact O-ND2 2.97Å
590	D	85.8	Confident	88.5	Confident	73 Å²	73	28 Å²	28	39%	0.39	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-66.4	153.2	174.1	-76.4	-31.3	0	0	0	111.2	N543 T546 R584 S592 N595	N543-D590 PolarHBondContact ND2-OD1 3.21Å; N543-D590 PolarHBondContact ND2-OD2 2.8Å; T546-D590 HydrophobicContact CG2-CB 3.95Å; T546-D590 VanDerWaalsContact CG2-CG 3.45Å; T546-D590 WeakPolarHBondContact CG2-OD1 3.23Å; R584-D590 IonicContact CZ-OD1 3.69Å; R584-D590 IonicContact NH1-OD1 3.72Å; R584-D590 IonicContact NH2-OD1 3.22Å; R584-D590 PolarHBondContact NH2-OD1 3.42Å; D590-S592 PolarHBondContact O-N 2.91Å; D590-N595 PolarHBondContact O-ND2 3.2Å
591	W	90.3	Very high	88.3	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.008	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-64.7	132	179.4	-173.1	94.4	0	0	0	111.2	L535 E539 I548 P549 L552 L560 F582 R584 P593 C596	L535-W591 HydrophobicContact CD1-CD2 3.83Å; L535-W591 HydrophobicContact CD1-CE3 4.22Å; L535-W591 HydrophobicContact CD1-CH2 3.76Å; L535-W591 HydrophobicContact CD1-CZ2 3.33Å; L535-W591 HydrophobicContact CD1-CZ3 4.18Å; L535-W591 HydrophobicContact CD2-CD2 4.47Å; L535-W591 HydrophobicContact CD2-CE3 4.23Å; L535-W591 HydrophobicContact CD2-CZ3 4.26Å; L535-W591 HydrophobicContact CG-CD2 4.38Å; E539-W591 HydrophobicContact CG-CB 3.78Å; E539-W591 HydrophobicContact CG-CG 4.33Å; E539-W591 WeakPolarHBondContact OE1-CB 3.38Å; E539-W591 WeakPolarHBondContact OE2-CB 3.48Å; I548-W591 HydrophobicContact CG2-CZ3 4.45Å; P549-W591 HydrophobicContact CG-CE3 3.9Å; L552-W591 HydrophobicContact CD1-CH2 3.39Å; L552-W591 HydrophobicContact CD1-CZ3 3.34Å; L560-W591 HydrophobicContact CD1-CH2 4.36Å; F582-W591 HydrophobicContact CB-CZ2 4.36Å; F582-W591 HydrophobicContact CG-CZ2 4.32Å; R584-W591 HydrophobicContact CG-CB 4.02Å; W591-P593 HydrophobicContact CH2-CG 4.44Å; W591-C596 HydrophobicContact CZ2-CB 3.8Å
592	S	88.4	Confident	87.9	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.028	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-148.1	162.9	173.4	66.7	0	0	0	0	110.1	D590 W594 N595 C596	D590-S592 PolarHBondContact O-N 2.91Å; S592-W594 PolarHBondContact O-N 3.36Å; S592-W594 PolarHBondContact OG-NE1 3.38Å; S592-W594 VanDerWaalsContact OG-NE1 3.12Å; S592-N595 CarbonylContact O-C 3.59Å; S592-N595 VanDerWaalsContact O-C 3.23Å; S592-N595 PolarHBondContact O-N 2.9Å; S592-N595 WeakPolarHBondContact OG-CB 3.24Å; S592-N595 PolarHBondContact OG-N 2.87Å; S592-C596 WeakPolarHBondContact O-CB 3.45Å; S592-C596 PolarHBondContact O-N 2.92Å
593	P	88.1	Confident	87.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.4	173.9	-27.9	35.7	0	0	0	114.7	L552 L560 W591 C596 A632 F636	L552-P593 HydrophobicContact CD1-CG 4.31Å; L552-P593 HydrophobicContact CD2-CG 4.31Å; L560-P593 HydrophobicContact CD1-CB 4.37Å; L560-P593 HydrophobicContact CD2-CB 4.27Å; W591-P593 HydrophobicContact CH2-CG 4.44Å; P593-C596 PolarHBondContact O-SG 3.22Å; P593-A632 HydrophobicContact CB-CB 4.21Å; P593-A632 WeakPolarHBondContact O-CB 3.33Å; P593-F636 HydrophobicContact CB-CD2 3.49Å; P593-F636 VanDerWaalsContact CB-CD2 3.49Å; P593-F636 HydrophobicContact CB-CE2 3.63Å; P593-F636 HydrophobicContact CB-CG 4.3Å; P593-F636 HydrophobicContact CG-CD2 3.81Å; P593-F636 HydrophobicContact CG-CE2 3.96Å; P593-F636 HydrophobicContact CG-CG 4.19Å; P593-F636 HydrophobicContact CG-CZ 4.41Å
594	W	88.4	Confident	87.3	Confident	31 Å²	31	35.6 Å²	35.6	12%	0.117	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	11	177.6	55.6	78.9	0	0	0	114	I548 S592 H629 R633 F636 I642 L646	I548-W594 HydrophobicContact CD1-CH2 4.43Å; I548-W594 HydrophobicContact CD1-CZ2 4.17Å; S592-W594 PolarHBondContact O-N 3.36Å; S592-W594 PolarHBondContact OG-NE1 3.38Å; S592-W594 VanDerWaalsContact OG-NE1 3.12Å; W594-H629 HydrophobicContact CB-CB 4.07Å; W594-H629 PolarHBondContact O-ND1 3.48Å; W594-H629 VanDerWaalsContact O-ND1 3.16Å; W594-R633 HydrophobicContact CB-CG 3.58Å; W594-R633 VanDerWaalsContact CB-NE 3.31Å; W594-R633 HydrophobicContact CD2-CG 4.03Å; W594-R633 HydrophobicContact CE3-CG 3.98Å; W594-R633 HydrophobicContact CG-CG 3.87Å; W594-F636 HydrophobicContact CZ3-CB 4.45Å; W594-I642 HydrophobicContact CH2-CG2 4.03Å; W594-I642 HydrophobicContact CZ3-CG2 4.14Å; W594-L646 HydrophobicContact CD2-CD2 3.82Å; W594-L646 HydrophobicContact CE3-CD2 3.74Å; W594-L646 HydrophobicContact CE3-CG 4.5Å; W594-L646 HydrophobicContact CH2-CD1 4.06Å; W594-L646 HydrophobicContact CH2-CD2 3.38Å; W594-L646 HydrophobicContact CH2-CG 3.4Å; W594-L646 VanDerWaalsContact CH2-CG 3.4Å; W594-L646 HydrophobicContact CZ2-CD2 3.43Å; W594-L646 VanDerWaalsContact CZ2-CD2 3.43Å; W594-L646 HydrophobicContact CZ2-CG 3.8Å; W594-L646 HydrophobicContact CZ3-CD1 4.02Å; W594-L646 HydrophobicContact CZ3-CD2 3.53Å; W594-L646 HydrophobicContact CZ3-CG 3.8Å
595	N	89.9	Confident	86.9	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-134.5	50.2	166.2	-178.4	29.7	0	0	0	108.1	W585 D586 E589 D590 S592	W585-N595 WeakPolarHBondContact CB-OD1 3.27Å; W585-N595 PolarHBondContact N-O 3.15Å; W585-N595 PolarHBondContact N-OD1 2.74Å; D586-N595 PolarHBondContact N-OD1 3.47Å; D586-N595 PolarHBondContact O-ND2 3.41Å; D586-N595 VanDerWaalsContact O-ND2 3.13Å; E589-N595 VanDerWaalsContact CB-ND2 3.31Å; E589-N595 WeakPolarHBondContact CB-ND2 3.34Å; E589-N595 PolarHBondContact O-ND2 2.97Å; D590-N595 PolarHBondContact O-ND2 3.2Å; S592-N595 CarbonylContact O-C 3.59Å; S592-N595 VanDerWaalsContact O-C 3.23Å; S592-N595 PolarHBondContact O-N 2.9Å; S592-N595 WeakPolarHBondContact OG-CB 3.24Å; S592-N595 PolarHBondContact OG-N 2.87Å
596	C	90.6	Very high	86.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.5	-178.6	71.9	0	0	0	0	111.7	W565 F582 A583 W591 S592 P593 H629	W565-C596 WeakPolarHBondContact CZ2-O 3.36Å; F582-C596 HydrophobicContact CD1-CB 4.11Å; A583-C596 CarbonylContact O-C 3.51Å; A583-C596 WeakPolarHBondContact O-CA 3.36Å; W591-C596 HydrophobicContact CZ2-CB 3.8Å; S592-C596 WeakPolarHBondContact O-CB 3.45Å; S592-C596 PolarHBondContact O-N 2.92Å; P593-C596 PolarHBondContact O-SG 3.22Å; C596-H629 PolarHBondContact N-NE2 3.32Å; C596-H629 PolarHBondContact O-NE2 3.27Å
597	I	91.4	Very high	86.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.7	167.5	-173.1	164.5	0	0	0	109.7	W565 A570 F582 A583 W585 L599 F621	W565-I597 HydrophobicContact CH2-CB 4.3Å; W565-I597 HydrophobicContact CH2-CG1 4Å; W565-I597 HydrophobicContact CZ3-CG1 4.22Å; A570-I597 HydrophobicContact CB-CD1 3.84Å; A570-I597 HydrophobicContact CB-CG1 3.79Å; F582-I597 WeakPolarHBondContact CA-O 3.26Å; A583-I597 HydrophobicContact CB-CG2 4.09Å; A583-I597 PolarHBondContact N-O 3.25Å; A583-I597 PolarHBondContact O-N 3.14Å; W585-I597 HydrophobicContact CE3-CB 4.08Å; W585-I597 HydrophobicContact CE3-CD1 3.57Å; W585-I597 HydrophobicContact CE3-CG1 4.38Å; W585-I597 HydrophobicContact CE3-CG2 4.34Å; W585-I597 HydrophobicContact CZ3-CD1 3.48Å; W585-I597 VanDerWaalsContact CZ3-CD1 3.48Å; I597-L599 HydrophobicContact CD1-CD2 3.83Å; I597-L599 HydrophobicContact CD1-CG 4.38Å; I597-L599 HydrophobicContact CG1-CD2 3.82Å; I597-L599 HydrophobicContact CG1-CG 3.99Å; I597-L599 HydrophobicContact CG2-CD1 3.85Å; I597-L599 HydrophobicContact CG2-CG 3.95Å; I597-F621 HydrophobicContact CD1-CE1 4.36Å; I597-F621 HydrophobicContact CD1-CZ 4.2Å
598	L	91.7	Very high	86.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.7	177.2	-170.1	62.2	0	0	0	109.6	I561 W565 S569 A570 L580 F582	I561-L598 HydrophobicContact CG1-CD1 4.35Å; I561-L598 HydrophobicContact CG1-CD2 4.14Å; I561-L598 HydrophobicContact CG2-CD2 4.22Å; W565-L598 HydrophobicContact CB-CB 4.08Å; W565-L598 HydrophobicContact CB-CD2 3.53Å; W565-L598 HydrophobicContact CB-CG 4.47Å; W565-L598 HydrophobicContact CD2-CB 3.82Å; W565-L598 HydrophobicContact CE3-CB 4.13Å; W565-L598 HydrophobicContact CG-CB 3.78Å; W565-L598 HydrophobicContact CG-CD2 4.07Å; S569-L598 WeakPolarHBondContact CA-O 3.35Å; A570-L598 WeakPolarHBondContact CB-O 3.48Å; A570-L598 PolarHBondContact N-O 2.94Å; L580-L598 HydrophobicContact CB-CD1 3.86Å; L580-L598 HydrophobicContact CB-CG 4.22Å; L580-L598 HydrophobicContact CD1-CD2 3.88Å; L580-L598 HydrophobicContact CD1-CG 4.27Å; L580-L598 HydrophobicContact CD2-CG 4.49Å; F582-L598 HydrophobicContact CD1-CB 4.32Å; F582-L598 HydrophobicContact CD1-CD1 4.03Å; F582-L598 HydrophobicContact CD2-CD1 4.26Å; F582-L598 HydrophobicContact CE1-CB 3.97Å; F582-L598 HydrophobicContact CE1-CD1 3.84Å; F582-L598 HydrophobicContact CE1-CG 4.41Å; F582-L598 HydrophobicContact CE2-CD1 4.08Å; F582-L598 HydrophobicContact CG-CD1 4.23Å; F582-L598 HydrophobicContact CZ-CD1 3.85Å
599	L	91.1	Very high	86.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.9	-174.8	-64.2	179.2	0	0	0	111.2	A570 L571 L580 V581 A583 I597 E603 I604 H607	A570-L599 HydrophobicContact CB-CD2 4.21Å; L571-L599 HydrophobicContact CD1-CD2 3.81Å; L571-L599 HydrophobicContact CG-CD2 3.79Å; L580-L599 CarbonylContact C-O 3.53Å; L580-L599 WeakPolarHBondContact CA-O 2.87Å; V581-L599 PolarHBondContact N-O 2.96Å; V581-L599 PolarHBondContact O-N 3.32Å; A583-L599 HydrophobicContact CB-CD1 4.33Å; I597-L599 HydrophobicContact CD1-CD2 3.83Å; I597-L599 HydrophobicContact CD1-CG 4.38Å; I597-L599 HydrophobicContact CG1-CD2 3.82Å; I597-L599 HydrophobicContact CG1-CG 3.99Å; I597-L599 HydrophobicContact CG2-CD1 3.85Å; I597-L599 HydrophobicContact CG2-CG 3.95Å; L599-E603 VanDerWaalsContact CA-OE2 3.3Å; L599-E603 WeakPolarHBondContact CA-OE2 3.44Å; L599-E603 HydrophobicContact CB-CB 3.91Å; L599-E603 HydrophobicContact CD1-CB 4.47Å; L599-E603 HydrophobicContact CD2-CB 4.24Å; L599-E603 VanDerWaalsContact CD2-OE2 3.23Å; L599-E603 WeakPolarHBondContact CD2-OE2 3.47Å; L599-E603 HydrophobicContact CG-CB 4.43Å; L599-I604 HydrophobicContact CB-CG1 4.04Å; L599-H607 HydrophobicContact CD1-CB 3.54Å
600	S	88.1	Confident	86.4	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	157.1	165.6	68	0	0	0	0	111.3	N579 E602 E603 I604	N579-S600 CarbonylContact O-C 3.35Å; N579-S600 WeakPolarHBondContact O-CA 3.41Å; S600-E602 PolarHBondContact O-N 2.88Å; S600-E602 VanDerWaalsContact O-N 3.1Å; S600-E603 PolarHBondContact N-OE2 3.36Å; S600-E603 WeakPolarHBondContact O-CB 3.46Å; S600-E603 PolarHBondContact O-N 3.43Å; S600-E603 WeakPolarHBondContact OG-CG 3.28Å; S600-E603 PolarHBondContact OG-N 3.36Å; S600-E603 PolarHBondContact OG-OE1 2.97Å; S600-I604 WeakPolarHBondContact O-CG1 3.21Å; S600-I604 PolarHBondContact O-N 2.86Å; S600-I604 VanDerWaalsContact O-N 3.13Å
601	K	84	Confident	85.9	Confident	53 Å²	53	39 Å²	39	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-53.8	-33	178.6	-66.1	-178.3	-168.4	-179.5	0	113.7	N579 V581	N579-K601 PolarHBondContact O-N 3.2Å; N579-K601 WeakPolarHBondContact OD1-CB 3.31Å; N579-K601 VanDerWaalsContact OD1-CG 3.3Å; N579-K601 WeakPolarHBondContact OD1-CG 3.18Å; V581-K601 HydrophobicContact CG2-CG 3.76Å
602	E	80.5	Confident	85.5	Confident	97 Å²	97	44.1 Å²	44.1	45%	0.453	23%	0.232	S	C	.	.	H	α-helix	trans	-71.8	-43.6	178.1	-63.5	168	-153.4	0	0	111.1	C262 K266 S600 I604 S605	C262-E602 PolarHBondContact SG-OE1 3.35Å; K266-E602 IonicContact NZ-OE1 3.96Å; S600-E602 PolarHBondContact O-N 2.88Å; S600-E602 VanDerWaalsContact O-N 3.1Å; E602-I604 PolarHBondContact O-N 2.9Å; E602-S605 PolarHBondContact O-N 3.41Å
603	E	83.5	Confident	85.3	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.056	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-35.9	179.4	-75.1	160.7	-146	0	0	112.9	S569 L571 N572 L599 S600 S605 A606 H607	S569-E603 WeakPolarHBondContact CB-OE2 3.37Å; S569-E603 PolarHBondContact OG-OE1 3.33Å; L571-E603 HydrophobicContact CB-CG 4.12Å; L571-E603 HydrophobicContact CD1-CB 4.27Å; L571-E603 HydrophobicContact CD1-CG 4.13Å; N572-E603 WeakPolarHBondContact CB-OE1 3.34Å; N572-E603 PolarHBondContact N-OE1 3.02Å; N572-E603 VanDerWaalsContact N-OE1 3.12Å; N572-E603 PolarHBondContact ND2-OE1 2.87Å; L599-E603 VanDerWaalsContact CA-OE2 3.3Å; L599-E603 WeakPolarHBondContact CA-OE2 3.44Å; L599-E603 HydrophobicContact CB-CB 3.91Å; L599-E603 HydrophobicContact CD1-CB 4.47Å; L599-E603 HydrophobicContact CD2-CB 4.24Å; L599-E603 VanDerWaalsContact CD2-OE2 3.23Å; L599-E603 WeakPolarHBondContact CD2-OE2 3.47Å; L599-E603 HydrophobicContact CG-CB 4.43Å; S600-E603 PolarHBondContact N-OE2 3.36Å; S600-E603 WeakPolarHBondContact O-CB 3.46Å; S600-E603 PolarHBondContact O-N 3.43Å; S600-E603 WeakPolarHBondContact OG-CG 3.28Å; S600-E603 PolarHBondContact OG-N 3.36Å; S600-E603 PolarHBondContact OG-OE1 2.97Å; E603-S605 PolarHBondContact O-N 3.21Å; E603-A606 PolarHBondContact O-N 3.36Å; E603-H607 PolarHBondContact O-N 2.91Å
604	I	84.3	Confident	85	Confident	28 Å²	28	52 Å²	52	14%	0.144	27%	0.269	C	S	.	.	H	α-helix	trans	-54.4	-44.4	179.5	-64.6	163.7	0	0	0	110.7	V581 L599 S600 E602 A606 H607 T608	V581-I604 HydrophobicContact CB-CD1 3.42Å; V581-I604 VanDerWaalsContact CB-CD1 3.42Å; V581-I604 HydrophobicContact CB-CG1 4.48Å; V581-I604 HydrophobicContact CG1-CD1 3.65Å; V581-I604 HydrophobicContact CG2-CD1 3.74Å; L599-I604 HydrophobicContact CB-CG1 4.04Å; S600-I604 WeakPolarHBondContact O-CG1 3.21Å; S600-I604 PolarHBondContact O-N 2.86Å; S600-I604 VanDerWaalsContact O-N 3.13Å; E602-I604 PolarHBondContact O-N 2.9Å; I604-A606 PolarHBondContact O-N 2.79Å; I604-H607 PolarHBondContact O-N 2.92Å; I604-H607 VanDerWaalsContact O-N 3.1Å; I604-T608 WeakPolarHBondContact O-CB 3.4Å; I604-T608 PolarHBondContact O-N 2.96Å; I604-T608 PolarHBondContact O-OG1 3.5Å
605	S	81.4	Confident	84.7	Confident	76 Å²	76	59 Å²	59	53%	0.531	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-33.2	-176.8	-58.3	0	0	0	0	112.1	E602 E603 Q609	E602-S605 PolarHBondContact O-N 3.41Å; E603-S605 PolarHBondContact O-N 3.21Å; S605-Q609 WeakPolarHBondContact O-CG 3.37Å; S605-Q609 PolarHBondContact O-NE2 3.32Å
606	A	82	Confident	84.4	Confident	61 Å²	61	61.5 Å²	61.5	50%	0.504	32%	0.321	S	S	.	.	H	α-helix	trans	-76.3	-43.6	174.3	0	0	0	0	0	111.3	E603 I604 T608 Q609	E603-A606 PolarHBondContact O-N 3.36Å; I604-A606 PolarHBondContact O-N 2.79Å; A606-T608 PolarHBondContact O-N 2.93Å; A606-Q609 PolarHBondContact O-N 3Å
607	H	84.8	Confident	84.3	Confident	5 Å²	5	63.5 Å²	63.5	2%	0.023	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-38.1	-179.1	-171.4	66.1	0	0	0	112.8	R584 W585 L599 E603 I604 Q609 V610 Y617	R584-H607 PolarHBondContact O-CD2 2.74Å; R584-H607 PolarHBondContact O-NE2 2.72Å; R584-H607 VanDerWaalsContact O-NE2 3.09Å; W585-H607 AromaticContact CE3-CE1 3.91Å; W585-H607 PolarHBondContact O-NE2 3.12Å; L599-H607 HydrophobicContact CD1-CB 3.54Å; E603-H607 PolarHBondContact O-N 2.91Å; I604-H607 PolarHBondContact O-N 2.92Å; I604-H607 VanDerWaalsContact O-N 3.1Å; H607-Q609 PolarHBondContact O-N 2.9Å; H607-V610 WeakPolarHBondContact O-CB 3.43Å; H607-V610 PolarHBondContact O-N 2.95Å; H607-Y617 AromaticContact CE1-CE2 3.75Å; H607-Y617 AromaticContact ND1-CE2 3.58Å; H607-Y617 AromaticContact ND1-CZ 3.58Å; H607-Y617 PolarHBondContact ND1-OH 3.47Å
608	T	83.3	Confident	84.2	Confident	90 Å²	90	69.9 Å²	69.9	55%	0.552	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	177.5	-52.6	0	0	0	0	113.1	I604 A606 V610	I604-T608 WeakPolarHBondContact O-CB 3.4Å; I604-T608 PolarHBondContact O-N 2.96Å; I604-T608 PolarHBondContact O-OG1 3.5Å; A606-T608 PolarHBondContact O-N 2.93Å; T608-V610 VanDerWaalsContact C-N 3.32Å
609	Q	83.3	Confident	84.1	Confident	161 Å²	161	74.6 Å²	74.6	75%	0.752	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.4	176.1	-65.4	175.1	14.2	0	0	113	S605 A606 H607 E611	S605-Q609 WeakPolarHBondContact O-CG 3.37Å; S605-Q609 PolarHBondContact O-NE2 3.32Å; A606-Q609 PolarHBondContact O-N 3Å; H607-Q609 PolarHBondContact O-N 2.9Å; Q609-E611 PolarHBondContact O-N 3.31Å
610	V	83.4	Confident	84	Confident	30 Å²	30	78.3 Å²	78.3	18%	0.182	41%	0.411	C	S	.	.			trans	-85	111	-178.9	178.4	0	0	0	0	109.9	H607 T608 A616 Y617	H607-V610 WeakPolarHBondContact O-CB 3.43Å; H607-V610 PolarHBondContact O-N 2.95Å; T608-V610 VanDerWaalsContact C-N 3.32Å; V610-A616 HydrophobicContact CB-CB 4.43Å; V610-A616 HydrophobicContact CG1-CB 3.36Å; V610-A616 HydrophobicContact CG2-CB 4.18Å; V610-Y617 HydrophobicContact CG1-CE2 4.5Å
611	E	76.5	Confident	84.1	Confident	163 Å²	163	80 Å²	80	76%	0.762	42%	0.418	S	S	*	.	S	Bend	trans	-82.3	-29.4	176.5	-65.2	-178.8	171.7	0	0	113.2	Q609	Q609-E611 PolarHBondContact O-N 3.31Å
612	H	81.7	Confident	84.4	Confident	110 Å²	110	77.9 Å²	77.9	51%	0.509	41%	0.409	S	S	.	.			trans	-132.2	103.9	-176.6	-66.7	-48.9	0	0	0	111.9	H614 K615 A616	H612-H614 PolarHBondContact O-N 3.32Å; H612-K615 HydrophobicContact CB-CB 4.23Å; H612-K615 HydrophobicContact CB-CD 4.19Å; H612-K615 HydrophobicContact CB-CG 4.29Å; H612-K615 PolarHBondContact O-N 3.01Å; H612-K615 VanDerWaalsContact O-N 3.17Å; H612-A616 PolarHBondContact O-N 2.94Å
613	I	84.1	Confident	84.8	Confident	19 Å²	19	78.7 Å²	78.7	10%	0.097	41%	0.413	C	S	.	.	H	α-helix	trans	-56.3	-48	-177.3	-54.3	173.2	0	0	0	111.7	W585 D586 K615 A616 Y617 I622	W585-I613 HydrophobicContact CD2-CD1 4.3Å; W585-I613 HydrophobicContact CG-CD1 4.3Å; W585-I613 HydrophobicContact CH2-CG2 3.73Å; W585-I613 HydrophobicContact CZ2-CG2 3.34Å; W585-I613 HydrophobicContact CZ3-CG2 4.44Å; W585-I613 WeakPolarHBondContact O-CD1 3.22Å; D586-I613 HydrophobicContact CB-CD1 3.89Å; I613-K615 PolarHBondContact O-N 2.9Å; I613-A616 PolarHBondContact O-N 3.24Å; I613-A616 VanDerWaalsContact O-N 3.12Å; I613-Y617 HydrophobicContact CG2-CD2 3.86Å; I613-Y617 PolarHBondContact O-N 2.93Å; I613-I622 HydrophobicContact CG2-CD1 4.37Å; I613-I622 HydrophobicContact CG2-CG1 4.37Å
614	H	81	Confident	85.2	Confident	151 Å²	151	82.6 Å²	82.6	70%	0.699	43%	0.427	S	S	*	.	H	α-helix	trans	-65.8	-18.3	-177	-63.1	-67.9	0	0	0	114.5	H612	H612-H614 PolarHBondContact O-N 3.32Å
615	K	82.9	Confident	85.5	Confident	177 Å²	177	81.2 Å²	81.2	77%	0.77	42%	0.42	S	S	*	.	H	α-helix	trans	-93.4	-26.8	175.1	-68.2	-178	-179.7	173.1	0	112.2	H612 I613	H612-K615 HydrophobicContact CB-CB 4.23Å; H612-K615 HydrophobicContact CB-CD 4.19Å; H612-K615 HydrophobicContact CB-CG 4.29Å; H612-K615 PolarHBondContact O-N 3.01Å; H612-K615 VanDerWaalsContact O-N 3.17Å; I613-K615 PolarHBondContact O-N 2.9Å
616	A	83.4	Confident	86	Confident	57 Å²	57	82.2 Å²	82.2	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-92.5	-33.4	-174.9	0	0	0	0	0	113.5	V610 H612 I613	V610-A616 HydrophobicContact CB-CB 4.43Å; V610-A616 HydrophobicContact CG1-CB 3.36Å; V610-A616 HydrophobicContact CG2-CB 4.18Å; H612-A616 PolarHBondContact O-N 2.94Å; I613-A616 PolarHBondContact O-N 3.24Å; I613-A616 VanDerWaalsContact O-N 3.12Å
617	Y	87.6	Confident	86.4	Confident	41 Å²	41	85.2 Å²	85.2	16%	0.161	42%	0.42	C	S	.	.	S	Bend	trans	-110.8	148.5	-177.7	-66.9	-70.2	0	0	0	112.5	L571 W585 H607 V610 I613 F621	L571-Y617 HydrophobicContact CD1-CE1 4.49Å; L571-Y617 HydrophobicContact CD2-CE1 3.77Å; W585-Y617 HydrophobicContact CH2-CD2 4.01Å; W585-Y617 HydrophobicContact CH2-CE2 4.44Å; W585-Y617 HydrophobicContact CH2-CG 4.33Å; W585-Y617 HydrophobicContact CZ3-CD2 4.23Å; W585-Y617 HydrophobicContact CZ3-CE2 4.19Å; H607-Y617 AromaticContact CE1-CE2 3.75Å; H607-Y617 AromaticContact ND1-CE2 3.58Å; H607-Y617 AromaticContact ND1-CZ 3.58Å; H607-Y617 PolarHBondContact ND1-OH 3.47Å; V610-Y617 HydrophobicContact CG1-CE2 4.5Å; I613-Y617 HydrophobicContact CG2-CD2 3.86Å; I613-Y617 PolarHBondContact O-N 2.93Å; Y617-F621 AromaticContact CD1-CD1 3.77Å; Y617-F621 HydrophobicContact CD1-CD1 3.77Å; Y617-F621 AromaticContact CD1-CE1 3.82Å; Y617-F621 HydrophobicContact CD1-CE1 3.82Å; Y617-F621 HydrophobicContact CE1-CE1 4.14Å; Y617-F621 HydrophobicContact CG-CD1 4.01Å; Y617-F621 HydrophobicContact CG-CE1 4.25Å
618	E	89.8	Confident	86.7	Confident	134 Å²	134	86.2 Å²	86.2	63%	0.626	42%	0.424	S	S	*	.			trans	-67.7	146.7	175.2	-162.1	-174.3	145.7	0	0	111.3	T620 F621 I622	E618-T620 VanDerWaalsContact C-N 3.27Å; E618-T620 PolarHBondContact O-N 2.94Å; E618-T620 PolarHBondContact OE1-OG1 3.25Å; E618-F621 WeakPolarHBondContact O-CB 3.35Å; E618-F621 PolarHBondContact O-N 3Å; E618-F621 VanDerWaalsContact O-N 3.1Å; E618-I622 WeakPolarHBondContact O-CG1 3.43Å; E618-I622 PolarHBondContact O-N 3.32Å; E618-I622 VanDerWaalsContact O-N 3.09Å
619	T	88.6	Confident	87.1	Confident	99 Å²	99	82.4 Å²	82.4	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-59.7	-35.1	-177.8	50.9	0	0	0	0	113.2	I622 Q623	T619-I622 PolarHBondContact O-N 3.35Å; T619-Q623 WeakPolarHBondContact O-CG 3.28Å; T619-Q623 PolarHBondContact O-N 3.22Å
620	T	89.8	Confident	87.4	Confident	78 Å²	78	77.5 Å²	77.5	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-41.6	175.9	52	0	0	0	0	111.8	E618 W624	E618-T620 VanDerWaalsContact C-N 3.27Å; E618-T620 PolarHBondContact O-N 2.94Å; E618-T620 PolarHBondContact OE1-OG1 3.25Å; T620-W624 PolarHBondContact O-N 3.42Å; T620-W624 VanDerWaalsContact O-N 3.12Å
621	F	89.6	Confident	87.7	Confident	39 Å²	39	79.8 Å²	79.8	17%	0.171	39%	0.393	C	S	.	.	H	α-helix	trans	-68.8	-41.2	177.1	-177.4	-104.1	0	0	0	111.9	A570 L571 W585 I597 Y617 E618 W624 V625	A570-F621 HydrophobicContact CB-CE2 4.43Å; A570-F621 HydrophobicContact CB-CZ 4.05Å; L571-F621 HydrophobicContact CD2-CE1 4.08Å; L571-F621 HydrophobicContact CD2-CE2 4.26Å; L571-F621 HydrophobicContact CD2-CZ 3.65Å; W585-F621 AromaticContact CH2-CD1 4Å; W585-F621 HydrophobicContact CH2-CD1 4Å; W585-F621 AromaticContact CH2-CE1 3.75Å; W585-F621 HydrophobicContact CH2-CE1 3.75Å; W585-F621 AromaticContact CZ3-CE1 3.85Å; W585-F621 HydrophobicContact CZ3-CE1 3.85Å; I597-F621 HydrophobicContact CD1-CE1 4.36Å; I597-F621 HydrophobicContact CD1-CZ 4.2Å; Y617-F621 AromaticContact CD1-CD1 3.77Å; Y617-F621 HydrophobicContact CD1-CD1 3.77Å; Y617-F621 AromaticContact CD1-CE1 3.82Å; Y617-F621 HydrophobicContact CD1-CE1 3.82Å; Y617-F621 HydrophobicContact CE1-CE1 4.14Å; Y617-F621 HydrophobicContact CG-CD1 4.01Å; Y617-F621 HydrophobicContact CG-CE1 4.25Å; E618-F621 WeakPolarHBondContact O-CB 3.35Å; E618-F621 PolarHBondContact O-N 3Å; E618-F621 VanDerWaalsContact O-N 3.1Å; F621-W624 HydrophobicContact CD2-CE3 4.07Å; F621-W624 HydrophobicContact CD2-CZ3 4.46Å; F621-W624 AromaticContact CE2-CE3 3.83Å; F621-W624 HydrophobicContact CE2-CE3 3.83Å; F621-W624 AromaticContact CE2-CZ3 3.78Å; F621-W624 HydrophobicContact CE2-CZ3 3.78Å; F621-W624 HydrophobicContact CZ-CZ3 4.29Å; F621-W624 WeakPolarHBondContact O-CB 3.36Å; F621-W624 PolarHBondContact O-N 3.46Å; F621-V625 HydrophobicContact CD1-CG2 4.33Å; F621-V625 HydrophobicContact CE1-CG2 3.96Å; F621-V625 HydrophobicContact CZ-CG2 4.05Å; F621-V625 WeakPolarHBondContact O-CG2 3.47Å; F621-V625 PolarHBondContact O-N 2.89Å
622	I	90.3	Very high	88.3	Confident	8 Å²	8	72 Å²	72	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-48.2	176.8	-63.2	170.7	0	0	0	110.5	W585 I613 E618 T619 W624 V625 E626	W585-I622 HydrophobicContact CH2-CG1 4.49Å; W585-I622 HydrophobicContact CZ2-CG1 4.15Å; W585-I622 HydrophobicContact CZ2-CG2 4.45Å; I613-I622 HydrophobicContact CG2-CD1 4.37Å; I613-I622 HydrophobicContact CG2-CG1 4.37Å; E618-I622 WeakPolarHBondContact O-CG1 3.43Å; E618-I622 PolarHBondContact O-N 3.32Å; E618-I622 VanDerWaalsContact O-N 3.09Å; T619-I622 PolarHBondContact O-N 3.35Å; I622-W624 VanDerWaalsContact C-N 3.26Å; I622-W624 PolarHBondContact O-N 3.05Å; I622-V625 PolarHBondContact O-N 3.42Å; I622-V625 VanDerWaalsContact O-N 3.13Å; I622-E626 HydrophobicContact CG2-CG 4.48Å; I622-E626 WeakPolarHBondContact O-CG 3.41Å; I622-E626 PolarHBondContact O-N 2.85Å
623	Q	90.3	Very high	88.5	Confident	114 Å²	114	72.5 Å²	72.5	53%	0.533	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-38.4	176.9	-73.8	177.1	-4.5	0	0	112.2	T619 E626 Q627	T619-Q623 WeakPolarHBondContact O-CG 3.28Å; T619-Q623 PolarHBondContact O-N 3.22Å; Q623-E626 PolarHBondContact O-N 3.24Å; Q623-Q627 VanDerWaalsContact O-CG 3.31Å; Q623-Q627 WeakPolarHBondContact O-CG 3.49Å; Q623-Q627 PolarHBondContact O-N 3.42Å
624	W	91.8	Very high	88.6	Confident	93 Å²	93	78.1 Å²	78.1	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-43.8	175.6	175.4	81.9	0	0	0	112.1	W565 A570 T620 F621 I622 Q627 K628	W565-W624 HydrophobicContact CE3-CH2 4.04Å; W565-W624 HydrophobicContact CE3-CZ3 4.45Å; W565-W624 AromaticContact CZ3-CH2 3.81Å; W565-W624 HydrophobicContact CZ3-CH2 3.81Å; W565-W624 AromaticContact CZ3-CZ3 3.77Å; W565-W624 HydrophobicContact CZ3-CZ3 3.77Å; A570-W624 HydrophobicContact CB-CH2 4.31Å; A570-W624 HydrophobicContact CB-CZ3 4.05Å; T620-W624 PolarHBondContact O-N 3.42Å; T620-W624 VanDerWaalsContact O-N 3.12Å; F621-W624 HydrophobicContact CD2-CE3 4.07Å; F621-W624 HydrophobicContact CD2-CZ3 4.46Å; F621-W624 AromaticContact CE2-CE3 3.83Å; F621-W624 HydrophobicContact CE2-CE3 3.83Å; F621-W624 AromaticContact CE2-CZ3 3.78Å; F621-W624 HydrophobicContact CE2-CZ3 3.78Å; F621-W624 HydrophobicContact CZ-CZ3 4.29Å; F621-W624 WeakPolarHBondContact O-CB 3.36Å; F621-W624 PolarHBondContact O-N 3.46Å; I622-W624 VanDerWaalsContact C-N 3.26Å; I622-W624 PolarHBondContact O-N 3.05Å; W624-Q627 WeakPolarHBondContact O-CB 3.27Å; W624-Q627 PolarHBondContact O-N 3Å; W624-K628 HydrophobicContact CZ2-CG 4.41Å; W624-K628 WeakPolarHBondContact O-CG 3.45Å; W624-K628 PolarHBondContact O-N 2.86Å
625	V	90.9	Very high	88.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-43	175.6	172.6	0	0	0	0	111.3	W565 W585 F621 I622 Q627 K628 H629	W565-V625 HydrophobicContact CH2-CG1 4.17Å; W565-V625 HydrophobicContact CH2-CG2 4.36Å; W585-V625 HydrophobicContact CD2-CG1 3.86Å; W585-V625 HydrophobicContact CE3-CG1 4.21Å; W585-V625 HydrophobicContact CG-CG1 4.27Å; W585-V625 HydrophobicContact CH2-CB 4.33Å; W585-V625 HydrophobicContact CH2-CG1 4.41Å; W585-V625 HydrophobicContact CH2-CG2 3.95Å; W585-V625 HydrophobicContact CZ2-CB 4.14Å; W585-V625 HydrophobicContact CZ2-CG1 4.08Å; W585-V625 HydrophobicContact CZ2-CG2 4.27Å; W585-V625 HydrophobicContact CZ3-CG1 4.49Å; W585-V625 HydrophobicContact CZ3-CG2 4.15Å; F621-V625 HydrophobicContact CD1-CG2 4.33Å; F621-V625 HydrophobicContact CE1-CG2 3.96Å; F621-V625 HydrophobicContact CZ-CG2 4.05Å; F621-V625 WeakPolarHBondContact O-CG2 3.47Å; F621-V625 PolarHBondContact O-N 2.89Å; I622-V625 PolarHBondContact O-N 3.42Å; I622-V625 VanDerWaalsContact O-N 3.13Å; V625-Q627 VanDerWaalsContact C-N 3.3Å; V625-Q627 PolarHBondContact O-N 2.91Å; V625-K628 WeakPolarHBondContact O-CA 3.42Å; V625-K628 WeakPolarHBondContact O-CB 3.33Å; V625-K628 PolarHBondContact O-N 3.46Å; V625-H629 WeakPolarHBondContact CG1-CE1 3.46Å; V625-H629 WeakPolarHBondContact CG1-NE2 3.34Å; V625-H629 PolarHBondContact O-N 3.03Å
626	E	90.9	Very high	88.8	Confident	96 Å²	96	64.1 Å²	64.1	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-36.3	177	-72.5	175.6	172.7	0	0	112.7	I622 Q623 K628 H629 S630	I622-E626 HydrophobicContact CG2-CG 4.48Å; I622-E626 WeakPolarHBondContact O-CG 3.41Å; I622-E626 PolarHBondContact O-N 2.85Å; Q623-E626 PolarHBondContact O-N 3.24Å; E626-K628 VanDerWaalsContact C-N 3.34Å; E626-H629 PolarHBondContact O-N 2.74Å; E626-S630 WeakPolarHBondContact O-CB 3.48Å; E626-S630 PolarHBondContact O-N 3.44Å; E626-S630 PolarHBondContact O-OG 3.5Å
627	Q	91.1	Very high	88.6	Confident	124 Å²	124	63.8 Å²	63.8	58%	0.579	31%	0.312	S	S	*	.	H	α-helix	trans	-62.6	-42	172.2	-72.7	172.9	9.4	0	0	111.3	Q623 W624 V625 S630 M631	Q623-Q627 VanDerWaalsContact O-CG 3.31Å; Q623-Q627 WeakPolarHBondContact O-CG 3.49Å; Q623-Q627 PolarHBondContact O-N 3.42Å; W624-Q627 WeakPolarHBondContact O-CB 3.27Å; W624-Q627 PolarHBondContact O-N 3Å; V625-Q627 VanDerWaalsContact C-N 3.3Å; V625-Q627 PolarHBondContact O-N 2.91Å; Q627-S630 WeakPolarHBondContact O-CB 3.3Å; Q627-S630 PolarHBondContact O-N 3.24Å; Q627-M631 WeakPolarHBondContact O-CG 3.46Å; Q627-M631 PolarHBondContact O-N 3.35Å
628	K	90.9	Very high	88.1	Confident	26 Å²	26	68.4 Å²	68.4	11%	0.113	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-43	175.4	-62.5	-49.5	-165.4	159	0	112	V564 W565 W624 V625 E626 S630 M631 A632	V564-K628 HydrophobicContact CG1-CB 3.84Å; V564-K628 HydrophobicContact CG1-CD 4.45Å; V564-K628 WeakPolarHBondContact CG1-O 3.27Å; V564-K628 VanDerWaalsContact O-CD 3.25Å; V564-K628 WeakPolarHBondContact O-CD 3.26Å; V564-K628 VanDerWaalsContact O-CE 3.26Å; V564-K628 WeakPolarHBondContact O-CE 3.43Å; V564-K628 PolarHBondContact O-NZ 3.06Å; W565-K628 HydrophobicContact CZ2-CB 4.41Å; W624-K628 HydrophobicContact CZ2-CG 4.41Å; W624-K628 WeakPolarHBondContact O-CG 3.45Å; W624-K628 PolarHBondContact O-N 2.86Å; V625-K628 WeakPolarHBondContact O-CA 3.42Å; V625-K628 WeakPolarHBondContact O-CB 3.33Å; V625-K628 PolarHBondContact O-N 3.46Å; E626-K628 VanDerWaalsContact C-N 3.34Å; K628-S630 VanDerWaalsContact C-N 3.29Å; K628-S630 PolarHBondContact O-N 3.11Å; K628-M631 HydrophobicContact CD-SD 4.23Å; K628-M631 WeakPolarHBondContact O-CB 3.49Å; K628-M631 PolarHBondContact O-N 2.93Å; K628-A632 PolarHBondContact O-N 3.31Å
629	H	91.9	Very high	87.3	Confident	11 Å²	11	62.7 Å²	62.7	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-39.3	174.3	-66.4	166.4	0	0	0	111.8	W585 W594 C596 V625 E626 A632 R633	W585-H629 AromaticContact CD1-CE1 3.71Å; W585-H629 AromaticContact CG-CE1 3.81Å; W594-H629 HydrophobicContact CB-CB 4.07Å; W594-H629 PolarHBondContact O-ND1 3.48Å; W594-H629 VanDerWaalsContact O-ND1 3.16Å; C596-H629 PolarHBondContact N-NE2 3.32Å; C596-H629 PolarHBondContact O-NE2 3.27Å; V625-H629 WeakPolarHBondContact CG1-CE1 3.46Å; V625-H629 WeakPolarHBondContact CG1-NE2 3.34Å; V625-H629 PolarHBondContact O-N 3.03Å; E626-H629 PolarHBondContact O-N 2.74Å; H629-A632 WeakPolarHBondContact O-CB 3.16Å; H629-A632 PolarHBondContact O-N 2.96Å; H629-R633 WeakPolarHBondContact O-CG 3.48Å; H629-R633 PolarHBondContact O-N 3Å
630	S	89.2	Confident	86.3	Confident	57 Å²	57	61.5 Å²	61.5	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-42.3	175.9	-61	0	0	0	0	111.9	E626 Q627 K628 R633 Q634	E626-S630 WeakPolarHBondContact O-CB 3.48Å; E626-S630 PolarHBondContact O-N 3.44Å; E626-S630 PolarHBondContact O-OG 3.5Å; Q627-S630 WeakPolarHBondContact O-CB 3.3Å; Q627-S630 PolarHBondContact O-N 3.24Å; K628-S630 VanDerWaalsContact C-N 3.29Å; K628-S630 PolarHBondContact O-N 3.11Å; S630-R633 PolarHBondContact O-N 3.46Å; S630-Q634 WeakPolarHBondContact O-CG 3.22Å; S630-Q634 PolarHBondContact O-N 3.32Å; S630-Q634 VanDerWaalsContact O-N 3.11Å
631	M	89.7	Confident	85.4	Confident	79 Å²	79	61.6 Å²	61.6	39%	0.389	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-43.8	172.7	-68.3	176.7	65.3	0	0	111.8	Q627 K628 Q634 H635	Q627-M631 WeakPolarHBondContact O-CG 3.46Å; Q627-M631 PolarHBondContact O-N 3.35Å; K628-M631 HydrophobicContact CD-SD 4.23Å; K628-M631 WeakPolarHBondContact O-CB 3.49Å; K628-M631 PolarHBondContact O-N 2.93Å; M631-Q634 PolarHBondContact O-N 2.99Å; M631-H635 PolarHBondContact O-N 2.91Å
632	A	87.9	Confident	84.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-46.3	176.6	0	0	0	0	0	111.4	L560 V564 P593 K628 H629 Q634 H635 F636	L560-A632 HydrophobicContact CD2-CB 4.05Å; V564-A632 HydrophobicContact CG1-CB 4.5Å; V564-A632 HydrophobicContact CG2-CB 4.35Å; P593-A632 HydrophobicContact CB-CB 4.21Å; P593-A632 WeakPolarHBondContact O-CB 3.33Å; K628-A632 PolarHBondContact O-N 3.31Å; H629-A632 WeakPolarHBondContact O-CB 3.16Å; H629-A632 PolarHBondContact O-N 2.96Å; A632-Q634 VanDerWaalsContact C-N 3.31Å; A632-Q634 PolarHBondContact O-N 3.47Å; A632-H635 PolarHBondContact O-N 3.18Å; A632-H635 VanDerWaalsContact O-N 3.11Å; A632-F636 HydrophobicContact CB-CD2 4.3Å; A632-F636 HydrophobicContact CB-CE2 4.47Å; A632-F636 WeakPolarHBondContact O-CD2 3.49Å; A632-F636 PolarHBondContact O-N 3.43Å
633	R	86.9	Confident	83.7	Confident	119 Å²	119	60.3 Å²	60.3	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-55.9	-44.1	177.2	-73.3	-176	-174.6	161.3	6.2	112	W594 H629 S630 H635 F636 S637 L646	W594-R633 HydrophobicContact CB-CG 3.58Å; W594-R633 VanDerWaalsContact CB-NE 3.31Å; W594-R633 HydrophobicContact CD2-CG 4.03Å; W594-R633 HydrophobicContact CE3-CG 3.98Å; W594-R633 HydrophobicContact CG-CG 3.87Å; H629-R633 WeakPolarHBondContact O-CG 3.48Å; H629-R633 PolarHBondContact O-N 3Å; S630-R633 PolarHBondContact O-N 3.46Å; R633-H635 VanDerWaalsContact C-N 3.29Å; R633-H635 PolarHBondContact O-N 3.46Å; R633-F636 PolarHBondContact O-N 2.92Å; R633-S637 WeakPolarHBondContact O-CB 3.27Å; R633-S637 PolarHBondContact O-N 2.76Å; R633-S637 PolarHBondContact O-OG 2.89Å; R633-L646 HydrophobicContact CG-CD2 4.36Å
634	Q	86.3	Confident	82.7	Confident	138 Å²	138	63 Å²	63	65%	0.645	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-32.4	179	-71.9	178	3.5	0	0	113.6	S630 M631 A632 S637	S630-Q634 WeakPolarHBondContact O-CG 3.22Å; S630-Q634 PolarHBondContact O-N 3.32Å; S630-Q634 VanDerWaalsContact O-N 3.11Å; M631-Q634 PolarHBondContact O-N 2.99Å; A632-Q634 VanDerWaalsContact C-N 3.31Å; A632-Q634 PolarHBondContact O-N 3.47Å; Q634-S637 PolarHBondContact O-OG 3.4Å
635	H	84.1	Confident	81.5	Confident	34 Å²	34	62.2 Å²	62.2	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-76.4	-48.9	176.6	-177.3	-94.1	0	0	0	111.2	Y559 M631 A632 R633 K638	Y559-H635 HydrophobicContact CD1-CB 4.36Å; Y559-H635 AromaticContact CD1-CE1 3.87Å; Y559-H635 AromaticContact CD1-CG 3.78Å; Y559-H635 AromaticContact CD1-ND1 3.67Å; Y559-H635 AromaticContact CD2-NE2 3.89Å; Y559-H635 HydrophobicContact CE1-CB 3.54Å; Y559-H635 AromaticContact CE1-CD2 3.57Å; Y559-H635 AromaticContact CE1-CG 3.31Å; Y559-H635 AromaticContact CE1-ND1 3.71Å; Y559-H635 AromaticContact CE2-CD2 3.64Å; Y559-H635 AromaticContact CE2-NE2 3.87Å; Y559-H635 AromaticContact CG-CE1 3.95Å; Y559-H635 AromaticContact CZ-CD2 3.34Å; Y559-H635 AromaticContact CZ-CG 3.58Å; Y559-H635 AromaticContact CZ-NE2 3.98Å; M631-H635 PolarHBondContact O-N 2.91Å; A632-H635 PolarHBondContact O-N 3.18Å; A632-H635 VanDerWaalsContact O-N 3.11Å; R633-H635 VanDerWaalsContact C-N 3.29Å; R633-H635 PolarHBondContact O-N 3.46Å; H635-K638 WeakPolarHBondContact O-CB 3.3Å; H635-K638 PolarHBondContact O-N 2.94Å
636	F	83.1	Confident	80	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-77.1	-21.2	-174.7	-71.4	-68.3	0	0	0	114.2	L552 D556 L560 P593 W594 A632 R633 K638 N639 I642	L552-F636 HydrophobicContact CD2-CD1 4.18Å; L552-F636 HydrophobicContact CD2-CE1 3.7Å; L552-F636 HydrophobicContact CD2-CZ 4.26Å; D556-F636 HydrophobicContact CB-CE1 3.7Å; D556-F636 HydrophobicContact CB-CZ 3.97Å; L560-F636 HydrophobicContact CD1-CE2 4.11Å; L560-F636 HydrophobicContact CD1-CZ 4.07Å; L560-F636 HydrophobicContact CD2-CE2 3.81Å; L560-F636 HydrophobicContact CD2-CZ 4.46Å; L560-F636 HydrophobicContact CG-CE2 3.82Å; L560-F636 HydrophobicContact CG-CZ 3.96Å; P593-F636 HydrophobicContact CB-CD2 3.49Å; P593-F636 VanDerWaalsContact CB-CD2 3.49Å; P593-F636 HydrophobicContact CB-CE2 3.63Å; P593-F636 HydrophobicContact CB-CG 4.3Å; P593-F636 HydrophobicContact CG-CD2 3.81Å; P593-F636 HydrophobicContact CG-CE2 3.96Å; P593-F636 HydrophobicContact CG-CG 4.19Å; P593-F636 HydrophobicContact CG-CZ 4.41Å; W594-F636 HydrophobicContact CZ3-CB 4.45Å; A632-F636 HydrophobicContact CB-CD2 4.3Å; A632-F636 HydrophobicContact CB-CE2 4.47Å; A632-F636 WeakPolarHBondContact O-CD2 3.49Å; A632-F636 PolarHBondContact O-N 3.43Å; R633-F636 PolarHBondContact O-N 2.92Å; F636-K638 PolarHBondContact O-N 3.28Å; F636-N639 WeakPolarHBondContact O-CB 3.45Å; F636-N639 PolarHBondContact O-N 2.75Å; F636-I642 HydrophobicContact CB-CG2 4.2Å; F636-I642 HydrophobicContact CD1-CD1 3.95Å
637	S	79.6	Confident	78.2	Confident	49 Å²	49	63 Å²	63	34%	0.343	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.1	172.4	64	0	0	0	0	113.2	R633 Q634 N639	R633-S637 WeakPolarHBondContact O-CB 3.27Å; R633-S637 PolarHBondContact O-N 2.76Å; R633-S637 PolarHBondContact O-OG 2.89Å; Q634-S637 PolarHBondContact O-OG 3.4Å; S637-N639 PolarHBondContact O-N 3.32Å
638	K	76.6	Confident	75.7	Confident	139 Å²	139	66 Å²	66	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.5	174.5	-60	179.4	-177.2	178	0	112.9	T502 H635 F636	T502-K638 HydrophobicContact CG2-CB 4.27Å; H635-K638 WeakPolarHBondContact O-CB 3.3Å; H635-K638 PolarHBondContact O-N 2.94Å; F636-K638 PolarHBondContact O-N 3.28Å
639	N	73.3	Confident	75	Confident	14 Å²	14	68.1 Å²	68.1	8%	0.075	37%	0.367	C	S	.	.	S	Bend	trans	-93.3	113	177	-169.1	-36.9	0	0	0	109.9	T501 F636 S637 V641 I642 A643	T501-N639 WeakPolarHBondContact O-CB 3.49Å; T501-N639 PolarHBondContact O-ND2 3.27Å; F636-N639 WeakPolarHBondContact O-CB 3.45Å; F636-N639 PolarHBondContact O-N 2.75Å; S637-N639 PolarHBondContact O-N 3.32Å; N639-V641 PolarHBondContact O-N 3.36Å; N639-V641 VanDerWaalsContact O-N 3.1Å; N639-V641 PolarHBondContact OD1-N 2.97Å; N639-V641 VanDerWaalsContact OD1-N 3.11Å; N639-I642 HydrophobicContact CB-CB 4.19Å; N639-I642 HydrophobicContact CB-CD1 4.21Å; N639-I642 HydrophobicContact CB-CG1 4.3Å; N639-I642 PolarHBondContact O-N 2.92Å; N639-I642 VanDerWaalsContact O-N 3.16Å; N639-A643 WeakPolarHBondContact O-CB 3.49Å; N639-A643 PolarHBondContact O-N 2.99Å
640	P	68.2	Low	74.1	Confident	74 Å²	74	71.1 Å²	71.1	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-22.2	-175	24.9	-34.7	0	0	0	114.1	K644	P640-K644 WeakPolarHBondContact O-CG 3.45Å
641	V	71.6	Confident	73.3	Confident	79 Å²	79	71.8 Å²	71.8	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-81	-38.8	178.5	-176.2	0	0	0	0	111.1	L551 N639 N645	L551-V641 HydrophobicContact CD1-CG1 4.2Å; L551-V641 HydrophobicContact CD2-CG1 3.94Å; N639-V641 PolarHBondContact O-N 3.36Å; N639-V641 VanDerWaalsContact O-N 3.1Å; N639-V641 PolarHBondContact OD1-N 2.97Å; N639-V641 VanDerWaalsContact OD1-N 3.11Å; V641-N645 PolarHBondContact O-ND2 3.13Å
642	I	74	Confident	72.3	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-79	-33.4	177.4	-58.8	173.8	0	0	0	110.3	L551 L552 W594 F636 N639 K644 N645 L646	L551-I642 HydrophobicContact CB-CG1 4.47Å; L552-I642 HydrophobicContact CD2-CD1 3.87Å; W594-I642 HydrophobicContact CH2-CG2 4.03Å; W594-I642 HydrophobicContact CZ3-CG2 4.14Å; F636-I642 HydrophobicContact CB-CG2 4.2Å; F636-I642 HydrophobicContact CD1-CD1 3.95Å; N639-I642 HydrophobicContact CB-CB 4.19Å; N639-I642 HydrophobicContact CB-CD1 4.21Å; N639-I642 HydrophobicContact CB-CG1 4.3Å; N639-I642 PolarHBondContact O-N 2.92Å; N639-I642 VanDerWaalsContact O-N 3.16Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 3.49Å; I642-N645 PolarHBondContact O-N 3.28Å; I642-L646 PolarHBondContact O-N 3.46Å
643	A	68.6	Low	71.3	Confident	19 Å²	19	75.9 Å²	75.9	16%	0.157	41%	0.406	C	S	.	.	H	α-helix	trans	-57.9	-35.8	175	0	0	0	0	0	113.6	N639 N645 L646	N639-A643 WeakPolarHBondContact O-CB 3.49Å; N639-A643 PolarHBondContact O-N 2.99Å; A643-N645 PolarHBondContact O-N 3.43Å; A643-L646 VanDerWaalsContact O-CB 3.32Å; A643-L646 WeakPolarHBondContact O-CB 3.3Å; A643-L646 PolarHBondContact O-N 3.44Å
644	K	69.9	Low	70.3	Confident	172 Å²	172	73 Å²	73	75%	0.748	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-63	-30.6	174.7	-74.2	178.8	179.8	-172.3	0	113.3	P640 I642 L646	P640-K644 WeakPolarHBondContact O-CG 3.45Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 3.49Å; K644-L646 VanDerWaalsContact C-N 3.31Å
645	N	65.9	Low	69.1	Low	76 Å²	76	68.4 Å²	68.4	41%	0.406	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-84.8	-7.1	176.2	-62.3	-47.4	0	0	0	112.6	I548 L551 V641 I642 A643 G647	I548-N645 HydrophobicContact CD1-CB 4.36Å; I548-N645 HydrophobicContact CG1-CB 4.37Å; L551-N645 WeakPolarHBondContact CD1-ND2 3.49Å; V641-N645 PolarHBondContact O-ND2 3.13Å; I642-N645 PolarHBondContact O-N 3.28Å; A643-N645 PolarHBondContact O-N 3.43Å; N645-G647 VanDerWaalsContact C-N 3.25Å
646	L	61	Low	68	Low	37 Å²	37	71 Å²	71	19%	0.194	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-81.1	-3.5	173.7	-83	157.1	0	0	0	112.6	W594 R633 I642 A643 K644 L648	W594-L646 HydrophobicContact CD2-CD2 3.82Å; W594-L646 HydrophobicContact CE3-CD2 3.74Å; W594-L646 HydrophobicContact CE3-CG 4.5Å; W594-L646 HydrophobicContact CH2-CD1 4.06Å; W594-L646 HydrophobicContact CH2-CD2 3.38Å; W594-L646 HydrophobicContact CH2-CG 3.4Å; W594-L646 VanDerWaalsContact CH2-CG 3.4Å; W594-L646 HydrophobicContact CZ2-CD2 3.43Å; W594-L646 VanDerWaalsContact CZ2-CD2 3.43Å; W594-L646 HydrophobicContact CZ2-CG 3.8Å; W594-L646 HydrophobicContact CZ3-CD1 4.02Å; W594-L646 HydrophobicContact CZ3-CD2 3.53Å; W594-L646 HydrophobicContact CZ3-CG 3.8Å; R633-L646 HydrophobicContact CG-CD2 4.36Å; I642-L646 PolarHBondContact O-N 3.46Å; A643-L646 VanDerWaalsContact O-CB 3.32Å; A643-L646 WeakPolarHBondContact O-CB 3.3Å; A643-L646 PolarHBondContact O-N 3.44Å; K644-L646 VanDerWaalsContact C-N 3.31Å; L646-L648 HydrophobicContact CB-CD1 4.24Å; L646-L648 PolarHBondContact O-N 3.48Å
647	G	51.7	Low	66.7	Low	75 Å²	75	76.9 Å²	76.9	77%	0.773	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25	-176.4	0	0	0	0	0	113.5	N645	N645-G647 VanDerWaalsContact C-N 3.25Å
648	L	40.2	Very low	65.5	Low	188 Å²	188	79.5 Å²	79.5	98%	0.984	45%	0.446	S	S	*	.			trans	-91.6	0	174.2	-82.1	165.9	0	0	0	111.9	L646	L646-L648 HydrophobicContact CB-CD1 4.24Å; L646-L648 PolarHBondContact O-N 3.48Å

Retrieved 648 of 648 residues in 164.2 ms (Link to these results)

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