A0A087X8M3_POEFO Loading...

Dual serine/threonine and tyrosine protein kinase

May act as a positive regulator of ERK phosphorylation downstream of fibroblast growth factor-receptor activation. May induce both caspase-dependent apoptosis and caspase-independent cell death. May play a role in the embryonic development.

AlphaFold DB , UniProt , Accession A0A087X8M3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	43.9	Very low	53.8	Low	195 Å²	195	109.7 Å²	109.7	91%	0.911	63%	0.633	S	S	*	*				0	131.9	0	-67.9	176	160.9	0	0	108.6	K3	E1-K3 WeakPolarHBondContact OE2-CE 3.43Å; E1-K3 IonicContact OE2-NZ 3.88Å
2	T	48.2	Very low	54.2	Low	107 Å²	107	109.8 Å²	109.8	66%	0.656	64%	0.636	S	S	*	*			trans	-91.5	106.9	169.8	-47.7	0	0	0	0	106.9
3	K	51.5	Low	55.1	Low	117 Å²	117	106.3 Å²	106.3	51%	0.509	61%	0.61	S	S	.	*			trans	-94.4	122.9	177.4	-67.1	-175.3	179.4	176.3	0	108.7	E1 M5 V26	E1-K3 WeakPolarHBondContact OE2-CE 3.43Å; E1-K3 IonicContact OE2-NZ 3.88Å; K3-M5 HydrophobicContact CB-CG 4.11Å; K3-M5 HydrophobicContact CB-SD 4.49Å; K3-M5 PolarHBondContact O-N 3.41Å; K3-V26 HydrophobicContact CB-CG1 4.34Å; K3-V26 HydrophobicContact CD-CG2 4.24Å
4	V	55.4	Low	56.2	Low	141 Å²	141	103.4 Å²	103.4	86%	0.855	60%	0.597	S	S	*	*			trans	-81.9	112.2	167.1	179.8	0	0	0	0	106.3
5	M	55.6	Low	57.1	Low	104 Å²	104	98.3 Å²	98.3	51%	0.512	57%	0.566	S	S	.	*			trans	-115.3	130.5	-179	-67.7	-174.4	63.7	0	0	109.5	K3 C22	K3-M5 HydrophobicContact CB-CG 4.11Å; K3-M5 HydrophobicContact CB-SD 4.49Å; K3-M5 PolarHBondContact O-N 3.41Å; M5-C22 HydrophobicContact CE-CB 4.47Å; M5-C22 WeakPolarHBondContact CE-SG 3.37Å
6	V	59.4	Low	57.9	Low	140 Å²	140	95.1 Å²	95.1	85%	0.848	55%	0.545	S	S	*	.			trans	-98.7	105.4	172.4	-176.6	0	0	0	0	106.3
7	V	60.2	Low	58.7	Low	50 Å²	50	95.5 Å²	95.5	30%	0.303	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-69.5	143.3	178.1	-176.5	0	0	0	0	108.7	I15 A18 L19	V7-I15 HydrophobicContact CG1-CG1 4.34Å; V7-A18 HydrophobicContact CG1-CB 3.67Å; V7-L19 HydrophobicContact CG2-CD2 4.31Å
8	P	52	Low	59.3	Low	57 Å²	57	90.6 Å²	90.6	37%	0.37	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-76.2	166.2	-160.1	29.9	-34.9	0	0	0	114.1	V12 Q13 A18	P8-V12 HydrophobicContact CB-CB 4.09Å; P8-V12 HydrophobicContact CB-CG1 4.46Å; P8-Q13 HydrophobicContact CG-CB 4.35Å; P8-A18 HydrophobicContact CG-CB 4.39Å
9	C	53.1	Low	59.8	Low	86 Å²	86	86.7 Å²	86.7	58%	0.581	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-56.7	138.3	168.5	-156.6	0	0	0	0	109.6	S11 V12	C9-S11 PolarHBondContact O-N 3.04Å; C9-V12 PolarHBondContact O-N 3.46Å
10	P	55.9	Low	60.4	Low	105 Å²	105	88.4 Å²	88.4	68%	0.682	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-16.8	-176.5	-28.9	33.8	0	0	0	115.9	V12	P10-V12 VanDerWaalsContact C-N 3.3Å; P10-V12 PolarHBondContact O-N 3.35Å
11	S	56.2	Low	60.7	Low	105 Å²	105	88.3 Å²	88.3	73%	0.734	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-5.1	177.3	60.6	0	0	0	0	115.5	C9	C9-S11 PolarHBondContact O-N 3.04Å
12	V	58.6	Low	61.7	Low	111 Å²	111	79.9 Å²	79.9	67%	0.673	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-46.5	-171.2	-176.2	0	0	0	0	113.2	P8 C9 P10	P8-V12 HydrophobicContact CB-CB 4.09Å; P8-V12 HydrophobicContact CB-CG1 4.46Å; C9-V12 PolarHBondContact O-N 3.46Å; P10-V12 VanDerWaalsContact C-N 3.3Å; P10-V12 PolarHBondContact O-N 3.35Å
13	Q	66.6	Low	62.6	Low	64 Å²	64	77.8 Å²	77.8	30%	0.299	44%	0.44	S	S	.	.	S	Bend	trans	-154.3	146.1	-179.8	-172.2	177.3	4.8	0	0	109.1	P8 E17	P8-Q13 HydrophobicContact CG-CB 4.35Å; Q13-E17 HydrophobicContact CG-CB 4.19Å; Q13-E17 PolarHBondContact NE2-OE2 3.32Å
14	P	70.6	Confident	63.4	Low	66 Å²	66	79.5 Å²	79.5	43%	0.429	44%	0.443	S	S	.	.			trans	-56.3	140	171.5	-22.2	33.2	0	0	0	111.3	E16 E17 A18	P14-E16 VanDerWaalsContact CB-OE2 3.23Å; P14-E16 WeakPolarHBondContact CB-OE2 3.41Å; P14-E16 PolarHBondContact O-N 3.02Å; P14-E17 PolarHBondContact O-N 2.68Å; P14-A18 PolarHBondContact O-N 3.48Å
15	I	70	Confident	63.9	Low	26 Å²	26	81.7 Å²	81.7	13%	0.133	44%	0.444	C	S	.	.	H	α-helix	trans	-61.5	-28.9	-177.4	-160.3	170.1	0	0	0	111.6	V7 L19 Y32 E46 V50	V7-I15 HydrophobicContact CG1-CG1 4.34Å; I15-L19 HydrophobicContact CD1-CD1 4.21Å; I15-L19 HydrophobicContact CG1-CD1 3.71Å; I15-L19 HydrophobicContact CG1-CG 4.03Å; I15-L19 VanDerWaalsContact O-CB 3.22Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 WeakPolarHBondContact O-CD1 3.45Å; I15-L19 WeakPolarHBondContact O-CG 3.18Å; I15-L19 PolarHBondContact O-N 3.4Å; I15-Y32 HydrophobicContact CD1-CE2 4.24Å; I15-E46 HydrophobicContact CB-CG 4.41Å; I15-E46 VanDerWaalsContact CB-OE1 3.26Å; I15-E46 WeakPolarHBondContact CB-OE1 3.28Å; I15-E46 HydrophobicContact CD1-CG 4.35Å; I15-E46 WeakPolarHBondContact CD1-OE1 3.46Å; I15-E46 HydrophobicContact CG2-CG 3.54Å; I15-E46 WeakPolarHBondContact CG2-OE1 3.43Å; I15-V50 HydrophobicContact CD1-CG2 4.25Å; I15-V50 HydrophobicContact CG2-CG2 4.04Å
16	E	69.8	Low	64.7	Low	47 Å²	47	78 Å²	78	22%	0.22	43%	0.427	C	S	.	.	H	α-helix	trans	-63.6	-50.5	-178.7	-57.4	93.7	153.8	0	0	111.1	P14 L19 E20 K49 L53	P14-E16 VanDerWaalsContact CB-OE2 3.23Å; P14-E16 WeakPolarHBondContact CB-OE2 3.41Å; P14-E16 PolarHBondContact O-N 3.02Å; E16-L19 PolarHBondContact O-N 3.31Å; E16-E20 WeakPolarHBondContact O-CB 3.36Å; E16-E20 PolarHBondContact O-N 3.21Å; E16-K49 HydrophobicContact CG-CD 4.49Å; E16-K49 WeakPolarHBondContact OE1-CD 3.33Å; E16-K49 IonicContact OE1-NZ 3.7Å; E16-K49 PolarHBondContact OE1-NZ 3.09Å; E16-L53 HydrophobicContact CB-CD1 3.74Å; E16-L53 HydrophobicContact CG-CD1 3.5Å
17	E	70.6	Confident	65.2	Low	103 Å²	103	74.3 Å²	74.3	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-67	-41.2	178.6	-63.1	178.7	-176.2	0	0	111.2	Q13 P14 L19 E20 D21	Q13-E17 HydrophobicContact CG-CB 4.19Å; Q13-E17 PolarHBondContact NE2-OE2 3.32Å; P14-E17 PolarHBondContact O-N 2.68Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 3.49Å; E17-E20 PolarHBondContact O-N 3.02Å; E17-D21 PolarHBondContact O-N 3.27Å
18	A	69.6	Low	66	Low	6 Å²	6	72.9 Å²	72.9	5%	0.05	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-40.5	179	0	0	0	0	0	111.6	V7 P8 P14 C22	V7-A18 HydrophobicContact CG1-CB 3.67Å; P8-A18 HydrophobicContact CG-CB 4.39Å; P14-A18 PolarHBondContact O-N 3.48Å; A18-C22 WeakPolarHBondContact O-CB 3.17Å; A18-C22 PolarHBondContact O-N 3.13Å; A18-C22 PolarHBondContact O-SG 3.2Å
19	L	69	Low	67.2	Low	18 Å²	18	72.2 Å²	72.2	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-69.5	-38.2	175.9	-73.9	170.2	0	0	0	112.2	V7 I15 E16 E17 C22 I23 V50 L54	V7-L19 HydrophobicContact CG2-CD2 4.31Å; I15-L19 HydrophobicContact CD1-CD1 4.21Å; I15-L19 HydrophobicContact CG1-CD1 3.71Å; I15-L19 HydrophobicContact CG1-CG 4.03Å; I15-L19 VanDerWaalsContact O-CB 3.22Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 WeakPolarHBondContact O-CD1 3.45Å; I15-L19 WeakPolarHBondContact O-CG 3.18Å; I15-L19 PolarHBondContact O-N 3.4Å; E16-L19 PolarHBondContact O-N 3.31Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 3.49Å; L19-C22 WeakPolarHBondContact O-CB 3.5Å; L19-C22 PolarHBondContact O-N 2.8Å; L19-C22 VanDerWaalsContact O-N 3.16Å; L19-I23 WeakPolarHBondContact O-CG2 3.37Å; L19-I23 PolarHBondContact O-N 3.48Å; L19-V50 HydrophobicContact CD1-CG1 4.08Å; L19-V50 HydrophobicContact CD1-CG2 3.81Å; L19-L54 HydrophobicContact CB-CD1 4.12Å; L19-L54 HydrophobicContact CD1-CD1 3.69Å; L19-L54 HydrophobicContact CD2-CD1 3.92Å; L19-L54 HydrophobicContact CG-CD1 4.12Å
20	E	71.8	Confident	68.5	Low	119 Å²	119	69.1 Å²	69.1	56%	0.556	37%	0.369	S	S	*	.	H	α-helix	trans	-62	-42.9	175.8	-170.9	172.4	-175.9	0	0	111.9	E16 E17 C22 I23 R24	E16-E20 WeakPolarHBondContact O-CB 3.36Å; E16-E20 PolarHBondContact O-N 3.21Å; E17-E20 PolarHBondContact O-N 3.02Å; E20-C22 VanDerWaalsContact C-N 3.31Å; E20-C22 PolarHBondContact O-N 2.96Å; E20-I23 WeakPolarHBondContact O-CG1 3.28Å; E20-R24 PolarHBondContact O-N 2.89Å
21	D	67.2	Low	69.7	Low	88 Å²	88	68 Å²	68	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-34.7	173.2	-79.4	-23.9	0	0	0	112	E17 R24	E17-D21 PolarHBondContact O-N 3.27Å; D21-R24 WeakPolarHBondContact O-CB 3.44Å; D21-R24 PolarHBondContact O-N 2.97Å
22	C	64.9	Low	70.9	Confident	18 Å²	18	64.5 Å²	64.5	12%	0.122	33%	0.327	C	S	.	.	H	α-helix	trans	-71	-30.1	-179.7	-74.1	0	0	0	0	114	M5 A18 L19 E20 R24	M5-C22 HydrophobicContact CE-CB 4.47Å; M5-C22 WeakPolarHBondContact CE-SG 3.37Å; A18-C22 WeakPolarHBondContact O-CB 3.17Å; A18-C22 PolarHBondContact O-N 3.13Å; A18-C22 PolarHBondContact O-SG 3.2Å; L19-C22 WeakPolarHBondContact O-CB 3.5Å; L19-C22 PolarHBondContact O-N 2.8Å; L19-C22 VanDerWaalsContact O-N 3.16Å; E20-C22 VanDerWaalsContact C-N 3.31Å; E20-C22 PolarHBondContact O-N 2.96Å; C22-R24 VanDerWaalsContact C-N 3.3Å
23	I	66.9	Low	72	Confident	63 Å²	63	61.9 Å²	61.9	32%	0.323	32%	0.318	S	S	.	.	H	α-helix	trans	-84.2	-7.4	176.6	63.6	175.3	0	0	0	112.6	L19 E20 H25 P28 L54 F56	L19-I23 WeakPolarHBondContact O-CG2 3.37Å; L19-I23 PolarHBondContact O-N 3.48Å; E20-I23 WeakPolarHBondContact O-CG1 3.28Å; I23-H25 PolarHBondContact O-N 3.14Å; I23-P28 HydrophobicContact CG2-CB 4.45Å; I23-P28 HydrophobicContact CG2-CG 3.9Å; I23-L54 HydrophobicContact CD1-CD2 4.09Å; I23-L54 HydrophobicContact CG2-CD2 4Å; I23-F56 HydrophobicContact CG2-CE2 4.28Å
24	R	68.1	Low	72.8	Confident	153 Å²	153	58.9 Å²	58.9	58%	0.577	30%	0.304	S	S	*	.	S	Bend	trans	-71.7	102.4	178.2	-158.6	180	-83.5	178.7	-1.8	109.5	E20 D21 C22 V26	E20-R24 PolarHBondContact O-N 2.89Å; D21-R24 WeakPolarHBondContact O-CB 3.44Å; D21-R24 PolarHBondContact O-N 2.97Å; C22-R24 VanDerWaalsContact C-N 3.3Å; R24-V26 PolarHBondContact O-N 3.33Å
25	H	66.4	Low	73.1	Confident	186 Å²	186	59.9 Å²	59.9	86%	0.861	31%	0.306	S	S	*	.	S	Bend	trans	71.7	11.2	179	-45.8	-67.8	0	0	0	117	I23	I23-H25 PolarHBondContact O-N 3.14Å
26	V	71.3	Confident	73.5	Confident	26 Å²	26	62.9 Å²	62.9	16%	0.158	32%	0.319	C	S	.	.	S	Bend	trans	-130.9	141.5	176.9	-173.7	0	0	0	0	110.1	K3 R24 P28	K3-V26 HydrophobicContact CB-CG1 4.34Å; K3-V26 HydrophobicContact CD-CG2 4.24Å; R24-V26 PolarHBondContact O-N 3.33Å; V26-P28 WeakPolarHBondContact O-CD 3.48Å
27	V	71.1	Confident	73.9	Confident	63 Å²	63	65.5 Å²	65.5	38%	0.382	33%	0.334	S	S	.	.			trans	-83.8	113.2	171	177.8	0	0	0	0	108.6	L144 Q147	V27-L144 HydrophobicContact CG1-CD2 4.08Å; V27-Q147 HydrophobicContact CG1-CB 4.18Å; V27-Q147 HydrophobicContact CG1-CG 3.72Å
28	P	75.4	Confident	74.6	Confident	20 Å²	20	62.9 Å²	62.9	13%	0.13	33%	0.327	C	S	.	.			trans	-80.6	137.9	-173.1	34.3	-38.1	0	0	0	111.9	I23 V26 I30 F56	I23-P28 HydrophobicContact CG2-CB 4.45Å; I23-P28 HydrophobicContact CG2-CG 3.9Å; V26-P28 WeakPolarHBondContact O-CD 3.48Å; P28-I30 HydrophobicContact CB-CG1 4.03Å; P28-F56 HydrophobicContact CG-CD1 3.97Å; P28-F56 HydrophobicContact CG-CD2 3.68Å; P28-F56 HydrophobicContact CG-CE1 4Å; P28-F56 HydrophobicContact CG-CE2 3.71Å; P28-F56 HydrophobicContact CG-CG 3.82Å; P28-F56 HydrophobicContact CG-CZ 3.88Å
29	V	78.5	Confident	75.3	Confident	43 Å²	43	62.9 Å²	62.9	26%	0.261	33%	0.327	S	S	.	.			trans	-108.5	108.6	158.5	177.4	0	0	0	0	106.3	L31 F139 A140 V143 L144	V29-L31 HydrophobicContact CG1-CD2 4.47Å; V29-F139 HydrophobicContact CG1-CD1 4.16Å; V29-F139 HydrophobicContact CG1-CE1 3.93Å; V29-A140 HydrophobicContact CG1-CB 3.95Å; V29-A140 HydrophobicContact CG2-CB 4.36Å; V29-V143 HydrophobicContact CG2-CG1 4.42Å; V29-L144 HydrophobicContact CG2-CD2 4.32Å; V29-L144 HydrophobicContact CG2-CG 4.28Å
30	I	79.6	Confident	76.1	Confident	21 Å²	21	64 Å²	64	11%	0.108	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.9	-167.9	-52.5	175.9	0	0	0	110.1	P28 L54 F56 I58 C59	P28-I30 HydrophobicContact CB-CG1 4.03Å; I30-L54 HydrophobicContact CD1-CD1 3.61Å; I30-F56 HydrophobicContact CD1-CB 3.82Å; I30-I58 HydrophobicContact CB-CG1 4.27Å; I30-I58 HydrophobicContact CD1-CG1 4.43Å; I30-I58 HydrophobicContact CG2-CG1 4.09Å; I30-I58 HydrophobicContact CG2-CG2 4.07Å; I30-C59 PolarHBondContact O-N 3.36Å
31	L	82.1	Confident	76.7	Confident	81 Å²	81	63.6 Å²	63.6	42%	0.424	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.9	171.8	-50.3	-175.7	0	0	0	108.3	V29 C59 L61 L136	V29-L31 HydrophobicContact CG1-CD2 4.47Å; L31-C59 CarbonylContact C-O 3.56Å; L31-C59 WeakPolarHBondContact CA-O 3.28Å; L31-C59 HydrophobicContact CD2-CB 3.59Å; L31-L61 HydrophobicContact CB-CD1 3.97Å; L31-L61 HydrophobicContact CD1-CD1 4.28Å; L31-L136 HydrophobicContact CD1-CD1 4.03Å; L31-L136 HydrophobicContact CD1-CD2 4.48Å; L31-L136 HydrophobicContact CD2-CD1 3.39Å; L31-L136 HydrophobicContact CG-CD1 4.37Å
32	Y	81.4	Confident	77.3	Confident	32 Å²	32	66.5 Å²	66.5	13%	0.125	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.1	178.7	-167.9	-80.9	0	0	0	109.4	I15 I34 E46 L47 C59 F60 L61	I15-Y32 HydrophobicContact CD1-CE2 4.24Å; Y32-I34 HydrophobicContact CD1-CD1 4Å; Y32-I34 HydrophobicContact CD1-CG1 3.64Å; Y32-I34 HydrophobicContact CE1-CD1 4.16Å; Y32-I34 HydrophobicContact CE1-CG1 3.74Å; Y32-E46 PolarHBondContact OH-OE2 2.68Å; Y32-E46 VanDerWaalsContact OH-OE2 3.1Å; Y32-L47 HydrophobicContact CD2-CD2 4.02Å; Y32-L47 HydrophobicContact CE1-CD1 4.48Å; Y32-L47 HydrophobicContact CE1-CD2 4.35Å; Y32-L47 HydrophobicContact CE2-CD2 3.8Å; Y32-L47 HydrophobicContact CG-CD2 4.4Å; Y32-C59 PolarHBondContact N-O 3.12Å; Y32-F60 AromaticContact CD1-CD1 3.83Å; Y32-F60 HydrophobicContact CD1-CD1 3.83Å; Y32-F60 HydrophobicContact CD1-CE1 4.01Å; Y32-F60 HydrophobicContact CG-CD1 4.09Å; Y32-F60 HydrophobicContact CG-CE1 4.06Å; Y32-F60 CarbonylContact O-C 3.53Å; Y32-F60 WeakPolarHBondContact O-CA 3.34Å; Y32-L61 PolarHBondContact O-N 3.04Å
33	A	82.1	Confident	78.2	Confident	57 Å²	57	67.2 Å²	67.2	47%	0.471	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.7	-177.5	0	0	0	0	0	112.1	L61 I63	A33-L61 CarbonylContact C-O 3.53Å; A33-L61 WeakPolarHBondContact CA-O 3.47Å; A33-I63 HydrophobicContact CB-CD1 3.63Å; A33-I63 HydrophobicContact CB-CG1 4.25Å
34	I	81.9	Confident	79	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.9	-178	-55.5	174.1	0	0	0	108	Y32 Q36 L39 F60 L61 R62 I63 L89	Y32-I34 HydrophobicContact CD1-CD1 4Å; Y32-I34 HydrophobicContact CD1-CG1 3.64Å; Y32-I34 HydrophobicContact CE1-CD1 4.16Å; Y32-I34 HydrophobicContact CE1-CG1 3.74Å; I34-Q36 WeakPolarHBondContact CG2-O 3.49Å; I34-L39 HydrophobicContact CD1-CD2 3.71Å; I34-L39 HydrophobicContact CG1-CD2 4.45Å; I34-F60 HydrophobicContact CD1-CD1 4Å; I34-L61 PolarHBondContact N-O 3.09Å; I34-R62 CarbonylContact O-C 3.3Å; I34-R62 WeakPolarHBondContact O-CA 3.44Å; I34-I63 PolarHBondContact O-N 3.25Å; I34-L89 HydrophobicContact CB-CD2 4.45Å; I34-L89 HydrophobicContact CD1-CD1 3.68Å; I34-L89 HydrophobicContact CD1-CD2 4.02Å; I34-L89 HydrophobicContact CD1-CG 4.41Å; I34-L89 HydrophobicContact CG2-CD1 4.48Å; I34-L89 HydrophobicContact CG2-CD2 4.26Å
35	N	77.9	Confident	79.8	Confident	88 Å²	88	60.1 Å²	60.1	47%	0.471	34%	0.34	S	S	.	.			trans	-97.7	9.4	178.1	63.5	-16.2	0	0	0	113.3
36	Q	77.8	Confident	80.4	Confident	88 Å²	88	53 Å²	53	41%	0.411	31%	0.307	S	S	.	.	S	Bend	trans	-122.9	156	-177.5	-64.9	178.1	8.7	0	0	111.8	I34 S38	I34-Q36 WeakPolarHBondContact CG2-O 3.49Å; Q36-S38 WeakPolarHBondContact CB-O 3.28Å; Q36-S38 PolarHBondContact O-N 3.16Å; Q36-S38 PolarHBondContact OE1-O 3.35Å
37	D	79	Confident	81	Confident	102 Å²	102	51.7 Å²	51.7	55%	0.545	30%	0.299	S	S	.	.	S	Bend	trans	-74.3	-12.5	178.3	-72.6	2.3	0	0	0	113.5	R62 L89	D37-R62 VanDerWaalsContact CG-NH2 3.27Å; D37-R62 IonicContact OD1-CZ 2.65Å; D37-R62 IonicContact OD1-NE 3.72Å; D37-R62 IonicContact OD1-NH2 3.79Å; D37-R62 PolarHBondContact OD1-NH2 3.45Å; D37-R62 IonicContact OD2-NH2 3.14Å; D37-L89 PolarHBondContact O-N 2.9Å
38	S	83.8	Confident	81.6	Confident	48 Å²	48	55.2 Å²	55.2	34%	0.336	31%	0.306	S	S	.	.	S	Bend	trans	-148.2	151.7	178.2	60.3	0	0	0	0	111	Q36 Q92	Q36-S38 WeakPolarHBondContact CB-O 3.28Å; Q36-S38 PolarHBondContact O-N 3.16Å; Q36-S38 PolarHBondContact OE1-O 3.35Å; S38-Q92 VanDerWaalsContact CA-OE1 3.29Å
39	L	85.2	Confident	81.8	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.037	32%	0.321	C	S	.	.			trans	-73.8	136.5	171.9	-62.7	169.6	0	0	0	111.1	I34 Q43 V44 L47 L89 Q92 L93 L96	I34-L39 HydrophobicContact CD1-CD2 3.71Å; I34-L39 HydrophobicContact CG1-CD2 4.45Å; L39-Q43 HydrophobicContact CB-CB 4.4Å; L39-Q43 HydrophobicContact CD2-CB 4.24Å; L39-V44 HydrophobicContact CB-CG2 3.73Å; L39-V44 HydrophobicContact CD1-CG2 4.24Å; L39-L47 HydrophobicContact CD1-CD1 3.82Å; L39-L47 HydrophobicContact CD2-CD1 3.96Å; L39-L89 HydrophobicContact CD1-CD1 4.24Å; L39-L89 HydrophobicContact CD2-CD1 3.93Å; L39-L89 HydrophobicContact CG-CD1 3.67Å; L39-Q92 HydrophobicContact CD1-CB 4.13Å; L39-Q92 PolarHBondContact O-NE2 2.88Å; L39-L93 HydrophobicContact CD1-CD2 3.91Å; L39-L93 HydrophobicContact CD1-CG 4.36Å; L39-L96 HydrophobicContact CD1-CD1 3.87Å
40	S	85.4	Confident	81.7	Confident	42 Å²	42	57.3 Å²	57.3	29%	0.294	31%	0.309	S	S	.	.			trans	-70.2	162	169.7	79.2	0	0	0	0	111.6	E42 Q43 V44	S40-E42 PolarHBondContact O-N 2.98Å; S40-E42 PolarHBondContact OG-N 3.07Å; S40-Q43 PolarHBondContact O-N 3.47Å; S40-Q43 WeakPolarHBondContact OG-CG 3.11Å; S40-Q43 PolarHBondContact OG-N 3.14Å; S40-Q43 VanDerWaalsContact OG-N 3.12Å; S40-V44 WeakPolarHBondContact O-CB 3.49Å; S40-V44 VanDerWaalsContact O-CG2 3.3Å; S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 3.37Å
41	S	84	Confident	81.8	Confident	109 Å²	109	60.8 Å²	60.8	76%	0.762	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-33.8	175.5	46.8	0	0	0	0	112.7	A45	S41-A45 PolarHBondContact O-N 3.45Å; S41-A45 VanDerWaalsContact O-N 3.09Å
42	E	81.2	Confident	81.7	Confident	149 Å²	149	64.8 Å²	64.8	70%	0.696	34%	0.34	S	S	*	.	H	α-helix	trans	-69.3	-48.6	176.8	-171.2	172.5	-165.4	0	0	111.4	S40 V44 A45 E46	S40-E42 PolarHBondContact O-N 2.98Å; S40-E42 PolarHBondContact OG-N 3.07Å; E42-V44 VanDerWaalsContact C-N 3.27Å; E42-V44 PolarHBondContact O-N 3.26Å; E42-A45 WeakPolarHBondContact O-CB 3.3Å; E42-A45 PolarHBondContact O-N 2.94Å; E42-A45 VanDerWaalsContact O-N 3.09Å; E42-E46 WeakPolarHBondContact O-CB 3.22Å; E42-E46 PolarHBondContact O-N 3.37Å
43	Q	82.3	Confident	81.3	Confident	33 Å²	33	68.4 Å²	68.4	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-36	175.1	-72.9	173.8	-33.5	0	0	112.2	L39 S40 E46 L47	L39-Q43 HydrophobicContact CB-CB 4.4Å; L39-Q43 HydrophobicContact CD2-CB 4.24Å; S40-Q43 PolarHBondContact O-N 3.47Å; S40-Q43 WeakPolarHBondContact OG-CG 3.11Å; S40-Q43 PolarHBondContact OG-N 3.14Å; S40-Q43 VanDerWaalsContact OG-N 3.12Å; Q43-E46 PolarHBondContact O-N 3.22Å; Q43-L47 WeakPolarHBondContact O-CB 3.4Å; Q43-L47 VanDerWaalsContact O-CG 3.3Å; Q43-L47 WeakPolarHBondContact O-CG 3.36Å; Q43-L47 PolarHBondContact O-N 3.25Å
44	V	85.6	Confident	80.8	Confident	20 Å²	20	66.4 Å²	66.4	12%	0.121	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-42.7	174.6	165.7	0	0	0	0	111.3	L39 S40 E42 R48 L96	L39-V44 HydrophobicContact CB-CG2 3.73Å; L39-V44 HydrophobicContact CD1-CG2 4.24Å; S40-V44 WeakPolarHBondContact O-CB 3.49Å; S40-V44 VanDerWaalsContact O-CG2 3.3Å; S40-V44 WeakPolarHBondContact O-CG2 3.36Å; S40-V44 PolarHBondContact O-N 3.37Å; E42-V44 VanDerWaalsContact C-N 3.27Å; E42-V44 PolarHBondContact O-N 3.26Å; V44-R48 VanDerWaalsContact CG1-CZ 3.46Å; V44-R48 WeakPolarHBondContact O-CG 3.5Å; V44-R48 PolarHBondContact O-N 2.93Å; V44-R48 VanDerWaalsContact O-N 3.17Å; V44-L96 HydrophobicContact CG1-CD2 3.98Å; V44-L96 HydrophobicContact CG2-CD1 4.45Å
45	A	83.2	Confident	80.5	Confident	47 Å²	47	72 Å²	72	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-42.3	176.6	0	0	0	0	0	111.5	S41 E42 R48 K49	S41-A45 PolarHBondContact O-N 3.45Å; S41-A45 VanDerWaalsContact O-N 3.09Å; E42-A45 WeakPolarHBondContact O-CB 3.3Å; E42-A45 PolarHBondContact O-N 2.94Å; E42-A45 VanDerWaalsContact O-N 3.09Å; A45-R48 PolarHBondContact O-N 3.43Å; A45-K49 PolarHBondContact O-N 3.03Å
46	E	80.1	Confident	80.5	Confident	36 Å²	36	69.7 Å²	69.7	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-53.1	175.8	-172.1	-173.2	-157.9	0	0	111.7	I15 Y32 E42 Q43 R48 K49 V50	I15-E46 HydrophobicContact CB-CG 4.41Å; I15-E46 VanDerWaalsContact CB-OE1 3.26Å; I15-E46 WeakPolarHBondContact CB-OE1 3.28Å; I15-E46 HydrophobicContact CD1-CG 4.35Å; I15-E46 WeakPolarHBondContact CD1-OE1 3.46Å; I15-E46 HydrophobicContact CG2-CG 3.54Å; I15-E46 WeakPolarHBondContact CG2-OE1 3.43Å; Y32-E46 PolarHBondContact OH-OE2 2.68Å; Y32-E46 VanDerWaalsContact OH-OE2 3.1Å; E42-E46 WeakPolarHBondContact O-CB 3.22Å; E42-E46 PolarHBondContact O-N 3.37Å; Q43-E46 PolarHBondContact O-N 3.22Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.9Å; E46-K49 WeakPolarHBondContact O-CB 3.19Å; E46-K49 PolarHBondContact O-N 3.47Å; E46-V50 WeakPolarHBondContact O-CG2 3.37Å; E46-V50 PolarHBondContact O-N 3.39Å
47	L	82.9	Confident	80.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-31.6	-180	-74.2	173.5	0	0	0	112.9	Y32 L39 Q43 V50 K51 F60 L93 L96 F98	Y32-L47 HydrophobicContact CD2-CD2 4.02Å; Y32-L47 HydrophobicContact CE1-CD1 4.48Å; Y32-L47 HydrophobicContact CE1-CD2 4.35Å; Y32-L47 HydrophobicContact CE2-CD2 3.8Å; Y32-L47 HydrophobicContact CG-CD2 4.4Å; L39-L47 HydrophobicContact CD1-CD1 3.82Å; L39-L47 HydrophobicContact CD2-CD1 3.96Å; Q43-L47 WeakPolarHBondContact O-CB 3.4Å; Q43-L47 VanDerWaalsContact O-CG 3.3Å; Q43-L47 WeakPolarHBondContact O-CG 3.36Å; Q43-L47 PolarHBondContact O-N 3.25Å; L47-V50 PolarHBondContact O-N 3.44Å; L47-K51 WeakPolarHBondContact O-CB 3.24Å; L47-K51 PolarHBondContact O-N 3.3Å; L47-F60 HydrophobicContact CD1-CE1 4.08Å; L47-F60 HydrophobicContact CD2-CE1 3.83Å; L47-F60 HydrophobicContact CD2-CZ 4.24Å; L47-L93 HydrophobicContact CD1-CD2 4.23Å; L47-L96 HydrophobicContact CD1-CD1 4.46Å; L47-F98 HydrophobicContact CB-CE2 3.91Å; L47-F98 HydrophobicContact CB-CZ 4.22Å; L47-F98 HydrophobicContact CD2-CZ 4.45Å; L47-F98 VanDerWaalsContact O-CZ 3.29Å; L47-F98 WeakPolarHBondContact O-CZ 3.41Å
48	R	85.1	Confident	81.1	Confident	137 Å²	137	61.5 Å²	61.5	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-45.1	172.2	-76.4	-174.1	-167.6	118.7	1.6	111.6	V44 A45 E46 K51 E52 L96	V44-R48 VanDerWaalsContact CG1-CZ 3.46Å; V44-R48 WeakPolarHBondContact O-CG 3.5Å; V44-R48 PolarHBondContact O-N 2.93Å; V44-R48 VanDerWaalsContact O-N 3.17Å; A45-R48 PolarHBondContact O-N 3.43Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.9Å; R48-K51 WeakPolarHBondContact O-CB 3.39Å; R48-K51 PolarHBondContact O-N 3.33Å; R48-E52 PolarHBondContact O-N 3.26Å; R48-E52 VanDerWaalsContact O-N 3.16Å; R48-L96 HydrophobicContact CG-CD2 3.91Å
49	K	78.4	Confident	81.2	Confident	102 Å²	102	59.2 Å²	59.2	44%	0.443	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-43.2	176.5	-65.6	178.5	177.5	178.1	0	112	E16 A45 E46 K51 E52 L53	E16-K49 HydrophobicContact CG-CD 4.49Å; E16-K49 WeakPolarHBondContact OE1-CD 3.33Å; E16-K49 IonicContact OE1-NZ 3.7Å; E16-K49 PolarHBondContact OE1-NZ 3.09Å; A45-K49 PolarHBondContact O-N 3.03Å; E46-K49 WeakPolarHBondContact O-CB 3.19Å; E46-K49 PolarHBondContact O-N 3.47Å; K49-K51 PolarHBondContact O-N 3.47Å; K49-E52 PolarHBondContact O-N 3.4Å; K49-L53 WeakPolarHBondContact O-CB 3.25Å; K49-L53 WeakPolarHBondContact O-CG 3.27Å; K49-L53 PolarHBondContact O-N 3.22Å
50	V	77.4	Confident	81.3	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-56.5	-39.6	175.3	172.7	0	0	0	0	110.8	I15 L19 E46 L47 L53 L54 I58	I15-V50 HydrophobicContact CD1-CG2 4.25Å; I15-V50 HydrophobicContact CG2-CG2 4.04Å; L19-V50 HydrophobicContact CD1-CG1 4.08Å; L19-V50 HydrophobicContact CD1-CG2 3.81Å; E46-V50 WeakPolarHBondContact O-CG2 3.37Å; E46-V50 PolarHBondContact O-N 3.39Å; L47-V50 PolarHBondContact O-N 3.44Å; V50-L53 PolarHBondContact O-N 2.97Å; V50-L54 HydrophobicContact CG1-CD1 4.16Å; V50-L54 WeakPolarHBondContact O-CB 3.49Å; V50-L54 PolarHBondContact O-N 3.47Å; V50-I58 HydrophobicContact CG1-CD1 3.87Å
51	K	80.1	Confident	81.2	Confident	95 Å²	95	57.7 Å²	57.7	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-33.6	176.8	-164.9	179.8	-176.7	-176	0	113.7	L47 R48 K49 L96 G97 F98	L47-K51 WeakPolarHBondContact O-CB 3.24Å; L47-K51 PolarHBondContact O-N 3.3Å; R48-K51 WeakPolarHBondContact O-CB 3.39Å; R48-K51 PolarHBondContact O-N 3.33Å; K49-K51 PolarHBondContact O-N 3.47Å; K51-L96 PolarHBondContact NZ-O 3.15Å; K51-G97 WeakPolarHBondContact CE-O 3.49Å; K51-G97 PolarHBondContact NZ-O 3.28Å; K51-F98 HydrophobicContact CB-CE1 4.11Å; K51-F98 HydrophobicContact CB-CE2 4.42Å; K51-F98 HydrophobicContact CB-CZ 3.7Å; K51-F98 HydrophobicContact CD-CE1 4.44Å; K51-F98 HydrophobicContact CD-CE2 4.38Å; K51-F98 HydrophobicContact CD-CZ 4.23Å; K51-F98 HydrophobicContact CG-CE1 4.17Å; K51-F98 HydrophobicContact CG-CZ 4.12Å
52	E	79.9	Confident	81.2	Confident	165 Å²	165	55.5 Å²	55.5	77%	0.771	28%	0.275	S	S	*	.	H	α-helix	trans	-73.8	-36.4	176.1	-71.2	174.6	-179.4	0	0	111.7	R48 K49	R48-E52 PolarHBondContact O-N 3.26Å; R48-E52 VanDerWaalsContact O-N 3.16Å; K49-E52 PolarHBondContact O-N 3.4Å
53	L	73.8	Confident	81	Confident	108 Å²	108	52.3 Å²	52.3	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-85.3	-35.3	-176.5	-68.1	168.9	0	0	0	113.5	E16 K49 V50	E16-L53 HydrophobicContact CB-CD1 3.74Å; E16-L53 HydrophobicContact CG-CD1 3.5Å; K49-L53 WeakPolarHBondContact O-CB 3.25Å; K49-L53 WeakPolarHBondContact O-CG 3.27Å; K49-L53 PolarHBondContact O-N 3.22Å; V50-L53 PolarHBondContact O-N 2.97Å
54	L	71.6	Confident	80.3	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.073	28%	0.275	C	S	.	.			trans	-116	126.4	-176.3	-62.1	-176.1	0	0	0	111.9	L19 I23 I30 V50 F56	L19-L54 HydrophobicContact CB-CD1 4.12Å; L19-L54 HydrophobicContact CD1-CD1 3.69Å; L19-L54 HydrophobicContact CD2-CD1 3.92Å; L19-L54 HydrophobicContact CG-CD1 4.12Å; I23-L54 HydrophobicContact CD1-CD2 4.09Å; I23-L54 HydrophobicContact CG2-CD2 4Å; I30-L54 HydrophobicContact CD1-CD1 3.61Å; V50-L54 HydrophobicContact CG1-CD1 4.16Å; V50-L54 WeakPolarHBondContact O-CB 3.49Å; V50-L54 PolarHBondContact O-N 3.47Å; L54-F56 VanDerWaalsContact C-N 3.29Å; L54-F56 HydrophobicContact CB-CD2 4.43Å; L54-F56 HydrophobicContact CD2-CD2 4.33Å
55	S	75.4	Confident	79.2	Confident	118 Å²	118	57.6 Å²	57.6	83%	0.825	29%	0.294	S	S	*	.			trans	-88	6.8	173.2	57.3	0	0	0	0	113.5
56	F	77.5	Confident	77.8	Confident	40 Å²	40	61.2 Å²	61.2	18%	0.175	32%	0.316	C	S	.	.	S	Bend	trans	-88.1	142.9	-177.2	-62.1	-80.6	0	0	0	112.1	I23 P28 I30 L54	I23-F56 HydrophobicContact CG2-CE2 4.28Å; P28-F56 HydrophobicContact CG-CD1 3.97Å; P28-F56 HydrophobicContact CG-CD2 3.68Å; P28-F56 HydrophobicContact CG-CE1 4Å; P28-F56 HydrophobicContact CG-CE2 3.71Å; P28-F56 HydrophobicContact CG-CG 3.82Å; P28-F56 HydrophobicContact CG-CZ 3.88Å; I30-F56 HydrophobicContact CD1-CB 3.82Å; L54-F56 VanDerWaalsContact C-N 3.29Å; L54-F56 HydrophobicContact CB-CD2 4.43Å; L54-F56 HydrophobicContact CD2-CD2 4.33Å
57	P	84.7	Confident	76.3	Confident	15 Å²	15	64.8 Å²	64.8	10%	0.097	34%	0.341	C	S	.	.			trans	-68.2	148.3	172.5	31.5	-37.5	0	0	0	111.2	P121 F139 V143	P57-P121 HydrophobicContact CB-CB 4.48Å; P57-P121 HydrophobicContact CG-CB 3.88Å; P57-P121 HydrophobicContact CG-CG 3.88Å; P57-F139 HydrophobicContact CB-CE2 4.06Å; P57-F139 HydrophobicContact CB-CZ 4.17Å; P57-F139 HydrophobicContact CG-CE2 4.35Å; P57-F139 HydrophobicContact CG-CZ 4.25Å; P57-V143 HydrophobicContact CG-CG1 4.49Å; P57-V143 HydrophobicContact CG-CG2 3.5Å; P57-V143 VanDerWaalsContact CG-CG2 3.5Å
58	I	85.2	Confident	74.5	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.015	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.5	-177.2	-56.4	179.7	0	0	0	110	I30 V50 F60 F98 S123 M124	I30-I58 HydrophobicContact CB-CG1 4.27Å; I30-I58 HydrophobicContact CD1-CG1 4.43Å; I30-I58 HydrophobicContact CG2-CG1 4.09Å; I30-I58 HydrophobicContact CG2-CG2 4.07Å; V50-I58 HydrophobicContact CG1-CD1 3.87Å; I58-F60 HydrophobicContact CB-CD2 4.38Å; I58-F60 HydrophobicContact CB-CE2 3.8Å; I58-F60 HydrophobicContact CB-CZ 3.98Å; I58-F60 HydrophobicContact CD1-CZ 4.25Å; I58-F60 HydrophobicContact CG2-CD1 4.26Å; I58-F60 HydrophobicContact CG2-CD2 4.11Å; I58-F60 HydrophobicContact CG2-CE1 3.99Å; I58-F60 HydrophobicContact CG2-CE2 3.82Å; I58-F60 HydrophobicContact CG2-CG 4.33Å; I58-F60 HydrophobicContact CG2-CZ 3.76Å; I58-F98 HydrophobicContact CD1-CD1 4.36Å; I58-F98 HydrophobicContact CD1-CE1 3.71Å; I58-F98 HydrophobicContact CD1-CZ 4.39Å; I58-S123 PolarHBondContact N-OG 2.75Å; I58-S123 CarbonylContact O-C 3.51Å; I58-S123 WeakPolarHBondContact O-CA 3.42Å; I58-S123 WeakPolarHBondContact O-CB 3.36Å; I58-M124 PolarHBondContact O-N 3.26Å
59	C	86.5	Confident	72.3	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.7	168.3	-169.9	0	0	0	0	109.1	I30 L31 Y32 M124 F139	I30-C59 PolarHBondContact O-N 3.36Å; L31-C59 CarbonylContact C-O 3.56Å; L31-C59 WeakPolarHBondContact CA-O 3.28Å; L31-C59 HydrophobicContact CD2-CB 3.59Å; Y32-C59 PolarHBondContact N-O 3.12Å; C59-M124 HydrophobicContact CB-CG 4.35Å; C59-F139 HydrophobicContact CB-CD1 3.76Å; C59-F139 HydrophobicContact CB-CE1 3.56Å; C59-F139 HydrophobicContact CB-CE2 4.34Å; C59-F139 HydrophobicContact CB-CG 4.26Å; C59-F139 HydrophobicContact CB-CZ 3.87Å
60	F	86.1	Confident	70.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.1	175.9	-64.1	-85.8	0	0	0	109.8	Y32 I34 L47 I58 L93 F98 M124 L125 L126	Y32-F60 AromaticContact CD1-CD1 3.83Å; Y32-F60 HydrophobicContact CD1-CD1 3.83Å; Y32-F60 HydrophobicContact CD1-CE1 4.01Å; Y32-F60 HydrophobicContact CG-CD1 4.09Å; Y32-F60 HydrophobicContact CG-CE1 4.06Å; Y32-F60 CarbonylContact O-C 3.53Å; Y32-F60 WeakPolarHBondContact O-CA 3.34Å; I34-F60 HydrophobicContact CD1-CD1 4Å; L47-F60 HydrophobicContact CD1-CE1 4.08Å; L47-F60 HydrophobicContact CD2-CE1 3.83Å; L47-F60 HydrophobicContact CD2-CZ 4.24Å; I58-F60 HydrophobicContact CB-CD2 4.38Å; I58-F60 HydrophobicContact CB-CE2 3.8Å; I58-F60 HydrophobicContact CB-CZ 3.98Å; I58-F60 HydrophobicContact CD1-CZ 4.25Å; I58-F60 HydrophobicContact CG2-CD1 4.26Å; I58-F60 HydrophobicContact CG2-CD2 4.11Å; I58-F60 HydrophobicContact CG2-CE1 3.99Å; I58-F60 HydrophobicContact CG2-CE2 3.82Å; I58-F60 HydrophobicContact CG2-CG 4.33Å; I58-F60 HydrophobicContact CG2-CZ 3.76Å; F60-L93 HydrophobicContact CB-CD1 3.96Å; F60-L93 HydrophobicContact CD1-CD1 4.04Å; F60-L93 HydrophobicContact CD1-CD2 3.92Å; F60-L93 HydrophobicContact CD2-CD1 3.89Å; F60-L93 HydrophobicContact CD2-CD2 4.28Å; F60-L93 HydrophobicContact CE1-CD2 3.62Å; F60-L93 HydrophobicContact CE2-CD1 4.41Å; F60-L93 HydrophobicContact CE2-CD2 4.02Å; F60-L93 HydrophobicContact CG-CD1 3.68Å; F60-L93 HydrophobicContact CG-CD2 4.24Å; F60-L93 HydrophobicContact CZ-CD2 3.68Å; F60-F98 HydrophobicContact CE2-CB 3.87Å; F60-F98 HydrophobicContact CE2-CD1 4Å; F60-F98 AromaticContact CE2-CG 3.91Å; F60-F98 HydrophobicContact CE2-CG 3.91Å; F60-F98 HydrophobicContact CZ-CB 4.27Å; F60-F98 AromaticContact CZ-CD1 3.91Å; F60-F98 HydrophobicContact CZ-CD1 3.91Å; F60-F98 HydrophobicContact CZ-CD2 4.14Å; F60-F98 HydrophobicContact CZ-CE1 4.24Å; F60-F98 HydrophobicContact CZ-CE2 4.46Å; F60-F98 AromaticContact CZ-CG 3.85Å; F60-F98 HydrophobicContact CZ-CG 3.85Å; F60-F98 HydrophobicContact CZ-CZ 4.48Å; F60-M124 PolarHBondContact N-O 2.94Å; F60-L125 HydrophobicContact CB-CB 4.48Å; F60-L125 HydrophobicContact CB-CD1 3.62Å; F60-L126 PolarHBondContact O-N 3.45Å
61	L	84.4	Confident	68.5	Low	17 Å²	17	76.2 Å²	76.2	9%	0.089	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115	-176.9	-62.4	170.9	0	0	0	109.4	L31 Y32 A33 I34 L126 F129	L31-L61 HydrophobicContact CB-CD1 3.97Å; L31-L61 HydrophobicContact CD1-CD1 4.28Å; Y32-L61 PolarHBondContact O-N 3.04Å; A33-L61 CarbonylContact C-O 3.53Å; A33-L61 WeakPolarHBondContact CA-O 3.47Å; I34-L61 PolarHBondContact N-O 3.09Å; L61-L126 HydrophobicContact CD2-CB 3.99Å; L61-L126 HydrophobicContact CD2-CD1 3.42Å; L61-L126 VanDerWaalsContact CD2-CD1 3.42Å; L61-L126 HydrophobicContact CD2-CG 4.32Å; L61-F129 HydrophobicContact CD2-CD2 4.17Å; L61-F129 HydrophobicContact CD2-CE2 4.5Å
62	R	82.8	Confident	66.9	Low	63 Å²	63	77.4 Å²	77.4	24%	0.238	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120	169.7	-173.6	175	173.5	-165.6	-6	109.8	I34 D37 L89 L126 E127	I34-R62 CarbonylContact O-C 3.3Å; I34-R62 WeakPolarHBondContact O-CA 3.44Å; D37-R62 VanDerWaalsContact CG-NH2 3.27Å; D37-R62 IonicContact OD1-CZ 2.65Å; D37-R62 IonicContact OD1-NE 3.72Å; D37-R62 IonicContact OD1-NH2 3.79Å; D37-R62 PolarHBondContact OD1-NH2 3.45Å; D37-R62 IonicContact OD2-NH2 3.14Å; R62-L89 HydrophobicContact CB-CD2 4.5Å; R62-L126 PolarHBondContact N-O 3.44Å; R62-E127 WeakPolarHBondContact CD-OE2 3.49Å; R62-E127 IonicContact CZ-OE2 2.73Å; R62-E127 IonicContact NH1-OE2 3.89Å; R62-E127 PolarHBondContact NH1-OE2 3.2Å
63	I	77.4	Confident	65.1	Low	82 Å²	82	78.3 Å²	78.3	42%	0.421	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-98.9	127.9	177	-57	-176.7	0	0	0	107.9	A33 I34	A33-I63 HydrophobicContact CB-CD1 3.63Å; A33-I63 HydrophobicContact CB-CG1 4.25Å; I34-I63 PolarHBondContact O-N 3.25Å
64	P	68.2	Low	63.4	Low	65 Å²	65	78.6 Å²	78.6	42%	0.422	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-65.9	143.8	176.2	25.6	-31.5	0	0	0	111.4	S66 E130	P64-S66 PolarHBondContact O-N 3.02Å; P64-E130 HydrophobicContact CG-CG 4.19Å
65	D	63.3	Low	62	Low	99 Å²	99	81 Å²	81	53%	0.529	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-63.8	118.8	174.7	-100.1	-26.7	0	0	0	110.3	T67	D65-T67 PolarHBondContact O-N 2.98Å
66	S	53.5	Low	60.6	Low	122 Å²	122	87 Å²	87	85%	0.853	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	0.7	179.5	61.3	0	0	0	0	115.1	P64	P64-S66 PolarHBondContact O-N 3.02Å
67	T	47.5	Very low	58.7	Low	111 Å²	111	96 Å²	96	68%	0.681	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	2	-176	50.1	0	0	0	0	114.8	D65	D65-T67 PolarHBondContact O-N 2.98Å
68	L	45.8	Very low	56.5	Low	146 Å²	146	98.7 Å²	98.7	76%	0.764	55%	0.553	S	S	*	*			trans	-110.1	87.5	177	-72.8	165.8	0	0	0	111.7	A70	L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.39Å
69	T	38.6	Very low	54.6	Low	150 Å²	150	102.6 Å²	102.6	92%	0.92	57%	0.571	S	S	*	*			trans	-64.2	91.8	155.4	46.4	0	0	0	0	108.7
70	A	40.7	Very low	52.4	Low	87 Å²	87	110.5 Å²	110.5	72%	0.719	61%	0.605	S	S	*	*			trans	-98.4	123.5	173.1	0	0	0	0	0	110.4	L68	L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.39Å
71	S	35	Very low	50	Low	100 Å²	100	118.5 Å²	118.5	70%	0.699	64%	0.643	S	S	*	*			trans	-56	141.1	172.5	56.7	0	0	0	0	111.9	E73	S71-E73 PolarHBondContact O-N 3.36Å
72	P	46.7	Very low	48.1	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	68%	0.675	S	S	*	*	S	Bend	trans	-80.8	104.9	175.9	31.6	-27.3	0	0	0	108.4
73	E	42.4	Very low	46.3	Very low	185 Å²	185	129.1 Å²	129.1	86%	0.864	69%	0.692	S	S	*	*	S	Bend	trans	145.1	83	157.9	-81.7	168.3	-168.6	0	0	111.2	S71	S71-E73 PolarHBondContact O-N 3.36Å
74	S	37.2	Very low	44.7	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	71%	0.714	S	S	*	*	S	Bend	trans	173.6	50.5	148.3	47.6	0	0	0	0	114.3
75	S	43.7	Very low	44.1	Very low	65 Å²	65	141 Å²	141	46%	0.455	73%	0.73	S	S	.	*			trans	-155.9	33.5	174.3	39.5	0	0	0	0	115.1	R77	S75-R77 VanDerWaalsContact C-N 3.31Å; S75-R77 PolarHBondContact O-N 2.87Å
76	R	45	Very low	44.5	Very low	243 Å²	243	141.4 Å²	141.4	92%	0.917	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-3.7	175.4	-75.4	-175.8	177.1	174.9	1.1	115.3
77	R	38.4	Very low	45.8	Very low	231 Å²	231	136.8 Å²	136.8	87%	0.872	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-32.4	179.1	-81.7	-177.1	175.9	176.8	-1.3	115.2	S75	S75-R77 VanDerWaalsContact C-N 3.31Å; S75-R77 PolarHBondContact O-N 2.87Å
78	A	38.7	Very low	47.5	Very low	70 Å²	70	136.7 Å²	136.7	58%	0.579	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-21.1	179.5	0	0	0	0	0	114.1
79	E	44.5	Very low	49.3	Very low	85 Å²	85	129.7 Å²	129.7	40%	0.397	65%	0.652	S	S	.	*	H	α-helix	trans	-75.6	-23.1	178.6	-72.9	-175.8	-177.7	0	0	113.5	E81 R131	E79-E81 PolarHBondContact O-N 3.48Å; E79-R131 IonicContact OE1-NH2 3.31Å; E79-R131 IonicContact OE2-CZ 2.65Å; E79-R131 IonicContact OE2-NH1 3.25Å; E79-R131 IonicContact OE2-NH2 2.67Å; E79-R131 PolarHBondContact OE2-NH2 3.46Å
80	K	40.3	Very low	51.6	Low	166 Å²	166	124.2 Å²	124.2	72%	0.722	62%	0.616	S	S	*	*	H	α-helix	trans	-75.2	-19.6	-179.8	-87.9	-176.3	172.5	-177.8	0	114.4
81	E	36.9	Very low	53.7	Low	169 Å²	169	125.8 Å²	125.8	79%	0.79	61%	0.607	S	S	*	*	H	α-helix	trans	-91.6	-25.7	177	-78.2	-178.5	157.2	0	0	113	E79	E79-E81 PolarHBondContact O-N 3.48Å
82	K	42.7	Very low	56.2	Low	177 Å²	177	123.2 Å²	123.2	77%	0.77	58%	0.584	S	S	*	*	H	α-helix	trans	-76.3	-15.2	175.4	-100.4	-178.2	175.5	-178.8	0	114.6	R84	K82-R84 PolarHBondContact O-N 3.02Å
83	E	45.9	Very low	58.1	Low	125 Å²	125	117.5 Å²	117.5	58%	0.584	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-9	178.5	-86	-178.8	161.8	0	0	114.4
84	R	44	Very low	60.3	Low	235 Å²	235	110.9 Å²	110.9	89%	0.887	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-20.6	-179.6	-84.1	-178	171.8	-178.4	-2.2	115	K82	K82-R84 PolarHBondContact O-N 3.02Å
85	E	56.1	Low	62.7	Low	163 Å²	163	110.2 Å²	110.2	76%	0.762	51%	0.512	S	S	*	.	S	Bend	trans	-96	122.9	177.3	-75.5	-168.8	150.3	0	0	111.1	S87	E85-S87 PolarHBondContact O-N 3.29Å
86	K	70.2	Confident	64.7	Low	106 Å²	106	108 Å²	108	46%	0.461	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-57.4	130.4	173	-66.5	-179.3	177	-175.9	0	109.5	H90 K91	K86-H90 HydrophobicContact CB-CB 4.37Å; K86-K91 HydrophobicContact CB-CG 4.49Å; K86-K91 WeakPolarHBondContact O-CE 3.22Å
87	S	80.7	Confident	66.7	Low	26 Å²	26	98.1 Å²	98.1	18%	0.182	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-56.9	158.5	-179.9	74.4	0	0	0	0	112.3	E85 L89 H90 K91 E127	E85-S87 PolarHBondContact O-N 3.29Å; S87-L89 VanDerWaalsContact C-N 3.26Å; S87-L89 PolarHBondContact O-N 3.41Å; S87-H90 PolarHBondContact O-N 3.29Å; S87-H90 WeakPolarHBondContact OG-CB 3.37Å; S87-H90 PolarHBondContact OG-N 3.37Å; S87-K91 PolarHBondContact O-N 3.31Å; S87-E127 WeakPolarHBondContact CB-OE1 3.4Å; S87-E127 PolarHBondContact OG-OE1 3.36Å
88	I	83.9	Confident	68.9	Low	108 Å²	108	88 Å²	88	55%	0.554	43%	0.431	S	S	*	.	H	α-helix	trans	-57.3	-45.5	174.8	-62.6	171.7	0	0	0	109.6	H90 K91 Q92	I88-H90 PolarHBondContact O-N 2.84Å; I88-K91 PolarHBondContact O-N 2.92Å; I88-K91 VanDerWaalsContact O-N 3.15Å; I88-Q92 WeakPolarHBondContact O-CG 3.44Å; I88-Q92 PolarHBondContact O-N 3.45Å
89	L	84.1	Confident	71.1	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-56.3	-46	174.7	-179.8	58.5	0	0	0	113	I34 D37 L39 R62 S87 K91 Q92 L93 L125	I34-L89 HydrophobicContact CB-CD2 4.45Å; I34-L89 HydrophobicContact CD1-CD1 3.68Å; I34-L89 HydrophobicContact CD1-CD2 4.02Å; I34-L89 HydrophobicContact CD1-CG 4.41Å; I34-L89 HydrophobicContact CG2-CD1 4.48Å; I34-L89 HydrophobicContact CG2-CD2 4.26Å; D37-L89 PolarHBondContact O-N 2.9Å; L39-L89 HydrophobicContact CD1-CD1 4.24Å; L39-L89 HydrophobicContact CD2-CD1 3.93Å; L39-L89 HydrophobicContact CG-CD1 3.67Å; R62-L89 HydrophobicContact CB-CD2 4.5Å; S87-L89 VanDerWaalsContact C-N 3.26Å; S87-L89 PolarHBondContact O-N 3.41Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.37Å; L89-Q92 PolarHBondContact O-N 3.36Å; L89-L93 HydrophobicContact CD1-CD1 4.14Å; L89-L93 HydrophobicContact CD1-CG 4.21Å; L89-L93 HydrophobicContact CG-CD1 4.2Å; L89-L93 WeakPolarHBondContact O-CG 3.32Å; L89-L93 PolarHBondContact O-N 2.91Å; L89-L125 HydrophobicContact CD2-CD1 3.84Å; L89-L125 HydrophobicContact CD2-CD2 4.38Å; L89-L125 HydrophobicContact CG-CD1 4.29Å; L89-L125 HydrophobicContact CG-CD2 4.18Å
90	H	85.8	Confident	72.6	Confident	34 Å²	34	85.6 Å²	85.6	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-59.2	-45.5	175.5	-179	-33.6	0	0	0	111.1	K86 S87 I88 Q92 L93 L94 L125	K86-H90 HydrophobicContact CB-CB 4.37Å; S87-H90 PolarHBondContact O-N 3.29Å; S87-H90 WeakPolarHBondContact OG-CB 3.37Å; S87-H90 PolarHBondContact OG-N 3.37Å; I88-H90 PolarHBondContact O-N 2.84Å; H90-Q92 VanDerWaalsContact C-N 3.32Å; H90-Q92 PolarHBondContact O-N 3.46Å; H90-L93 PolarHBondContact O-N 3.14Å; H90-L94 VanDerWaalsContact O-CB 3.26Å; H90-L94 WeakPolarHBondContact O-CB 3.49Å; H90-L94 PolarHBondContact O-N 3.33Å; H90-L125 HydrophobicContact CB-CD2 3.88Å
91	K	85.4	Confident	73.4	Confident	121 Å²	121	82.6 Å²	82.6	53%	0.526	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-40.1	179.4	-68.7	174.5	-175.9	171.5	0	111.3	K86 S87 I88 L89 L94 S95	K86-K91 HydrophobicContact CB-CG 4.49Å; K86-K91 WeakPolarHBondContact O-CE 3.22Å; S87-K91 PolarHBondContact O-N 3.31Å; I88-K91 PolarHBondContact O-N 2.92Å; I88-K91 VanDerWaalsContact O-N 3.15Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.37Å; K91-L94 PolarHBondContact O-N 3.1Å; K91-S95 PolarHBondContact O-N 3.31Å
92	Q	87.9	Confident	74	Confident	46 Å²	46	83.4 Å²	83.4	22%	0.215	41%	0.411	C	S	.	.	H	α-helix	trans	-65.1	-49.4	176.5	-70.4	177.7	-60.1	0	0	111.8	S38 L39 I88 L89 H90 L94 S95 L96	S38-Q92 VanDerWaalsContact CA-OE1 3.29Å; L39-Q92 HydrophobicContact CD1-CB 4.13Å; L39-Q92 PolarHBondContact O-NE2 2.88Å; I88-Q92 WeakPolarHBondContact O-CG 3.44Å; I88-Q92 PolarHBondContact O-N 3.45Å; L89-Q92 PolarHBondContact O-N 3.36Å; H90-Q92 VanDerWaalsContact C-N 3.32Å; H90-Q92 PolarHBondContact O-N 3.46Å; Q92-L94 VanDerWaalsContact C-N 3.28Å; Q92-L94 PolarHBondContact O-N 2.96Å; Q92-S95 PolarHBondContact O-N 3.46Å; Q92-S95 VanDerWaalsContact O-N 3.08Å; Q92-S95 PolarHBondContact O-OG 2.97Å; Q92-L96 WeakPolarHBondContact O-CG 3.21Å; Q92-L96 PolarHBondContact O-N 3.48Å
93	L	87.3	Confident	74.2	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-32.5	178.1	-69.9	174.9	0	0	0	113.2	L39 L47 F60 L89 H90 G97 F98 L99 L125	L39-L93 HydrophobicContact CD1-CD2 3.91Å; L39-L93 HydrophobicContact CD1-CG 4.36Å; L47-L93 HydrophobicContact CD1-CD2 4.23Å; F60-L93 HydrophobicContact CB-CD1 3.96Å; F60-L93 HydrophobicContact CD1-CD1 4.04Å; F60-L93 HydrophobicContact CD1-CD2 3.92Å; F60-L93 HydrophobicContact CD2-CD1 3.89Å; F60-L93 HydrophobicContact CD2-CD2 4.28Å; F60-L93 HydrophobicContact CE1-CD2 3.62Å; F60-L93 HydrophobicContact CE2-CD1 4.41Å; F60-L93 HydrophobicContact CE2-CD2 4.02Å; F60-L93 HydrophobicContact CG-CD1 3.68Å; F60-L93 HydrophobicContact CG-CD2 4.24Å; F60-L93 HydrophobicContact CZ-CD2 3.68Å; L89-L93 HydrophobicContact CD1-CD1 4.14Å; L89-L93 HydrophobicContact CD1-CG 4.21Å; L89-L93 HydrophobicContact CG-CD1 4.2Å; L89-L93 WeakPolarHBondContact O-CG 3.32Å; L89-L93 PolarHBondContact O-N 2.91Å; H90-L93 PolarHBondContact O-N 3.14Å; L93-G97 PolarHBondContact O-N 2.93Å; L93-F98 HydrophobicContact CD2-CD2 4.37Å; L93-F98 PolarHBondContact O-N 3.5Å; L93-L99 HydrophobicContact CB-CD1 3.71Å; L93-L99 HydrophobicContact CB-CG 3.92Å; L93-L99 HydrophobicContact CD1-CD1 4.42Å; L93-L125 HydrophobicContact CD1-CB 4.37Å; L93-L125 HydrophobicContact CD1-CD1 3.96Å; L93-L125 HydrophobicContact CD1-CD2 4.17Å; L93-L125 HydrophobicContact CD1-CG 4.4Å
94	L	87.8	Confident	73.9	Confident	46 Å²	46	74.3 Å²	74.3	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-65.6	-44.9	171.1	-176	66	0	0	0	111.4	H90 K91 Q92 L96 G97 L99 T101	H90-L94 VanDerWaalsContact O-CB 3.26Å; H90-L94 WeakPolarHBondContact O-CB 3.49Å; H90-L94 PolarHBondContact O-N 3.33Å; K91-L94 PolarHBondContact O-N 3.1Å; Q92-L94 VanDerWaalsContact C-N 3.28Å; Q92-L94 PolarHBondContact O-N 2.96Å; L94-L96 VanDerWaalsContact C-N 3.26Å; L94-L96 PolarHBondContact O-N 3.06Å; L94-G97 WeakPolarHBondContact O-CA 3.24Å; L94-G97 PolarHBondContact O-N 3.2Å; L94-L99 HydrophobicContact CB-CB 4.46Å; L94-L99 HydrophobicContact CD1-CB 4.15Å; L94-L99 VanDerWaalsContact CD1-O 3.28Å; L94-L99 WeakPolarHBondContact CD1-O 3.39Å; L94-T101 HydrophobicContact CD1-CG2 3.88Å; L94-T101 HydrophobicContact CD2-CG2 4.02Å; L94-T101 HydrophobicContact CG-CG2 4.43Å
95	S	87	Confident	73.6	Confident	99 Å²	99	67.5 Å²	67.5	69%	0.692	37%	0.369	S	S	*	.	H	α-helix	trans	-64.7	-30.2	177.3	75.8	0	0	0	0	113.3	K91 Q92 G97	K91-S95 PolarHBondContact O-N 3.31Å; Q92-S95 PolarHBondContact O-N 3.46Å; Q92-S95 VanDerWaalsContact O-N 3.08Å; Q92-S95 PolarHBondContact O-OG 2.97Å; S95-G97 PolarHBondContact O-N 3.18Å
96	L	87.1	Confident	72.6	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.089	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.3	173	-64.8	172.5	0	0	0	112.4	L39 V44 L47 R48 K51 Q92 L94 F98	L39-L96 HydrophobicContact CD1-CD1 3.87Å; V44-L96 HydrophobicContact CG1-CD2 3.98Å; V44-L96 HydrophobicContact CG2-CD1 4.45Å; L47-L96 HydrophobicContact CD1-CD1 4.46Å; R48-L96 HydrophobicContact CG-CD2 3.91Å; K51-L96 PolarHBondContact NZ-O 3.15Å; Q92-L96 WeakPolarHBondContact O-CG 3.21Å; Q92-L96 PolarHBondContact O-N 3.48Å; L94-L96 VanDerWaalsContact C-N 3.26Å; L94-L96 PolarHBondContact O-N 3.06Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-F98 HydrophobicContact CB-CD2 3.7Å; L96-F98 HydrophobicContact CB-CE2 4.05Å; L96-F98 PolarHBondContact O-N 3.02Å
97	G	86.3	Confident	70.9	Confident	36 Å²	36	63 Å²	63	37%	0.371	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	29.1	178.7	0	0	0	0	0	113.7	K51 L93 L94 S95	K51-G97 WeakPolarHBondContact CE-O 3.49Å; K51-G97 PolarHBondContact NZ-O 3.28Å; L93-G97 PolarHBondContact O-N 2.93Å; L94-G97 WeakPolarHBondContact O-CA 3.24Å; L94-G97 PolarHBondContact O-N 3.2Å; S95-G97 PolarHBondContact O-N 3.18Å
98	F	84.3	Confident	68.9	Low	19 Å²	19	65.4 Å²	65.4	8%	0.083	38%	0.384	C	S	.	.	S	Bend	trans	-82.4	-37.3	167.7	-76.4	-77.1	0	0	0	111.1	L47 K51 I58 F60 L93 L96 S123	L47-F98 HydrophobicContact CB-CE2 3.91Å; L47-F98 HydrophobicContact CB-CZ 4.22Å; L47-F98 HydrophobicContact CD2-CZ 4.45Å; L47-F98 VanDerWaalsContact O-CZ 3.29Å; L47-F98 WeakPolarHBondContact O-CZ 3.41Å; K51-F98 HydrophobicContact CB-CE1 4.11Å; K51-F98 HydrophobicContact CB-CE2 4.42Å; K51-F98 HydrophobicContact CB-CZ 3.7Å; K51-F98 HydrophobicContact CD-CE1 4.44Å; K51-F98 HydrophobicContact CD-CE2 4.38Å; K51-F98 HydrophobicContact CD-CZ 4.23Å; K51-F98 HydrophobicContact CG-CE1 4.17Å; K51-F98 HydrophobicContact CG-CZ 4.12Å; I58-F98 HydrophobicContact CD1-CD1 4.36Å; I58-F98 HydrophobicContact CD1-CE1 3.71Å; I58-F98 HydrophobicContact CD1-CZ 4.39Å; F60-F98 HydrophobicContact CE2-CB 3.87Å; F60-F98 HydrophobicContact CE2-CD1 4Å; F60-F98 AromaticContact CE2-CG 3.91Å; F60-F98 HydrophobicContact CE2-CG 3.91Å; F60-F98 HydrophobicContact CZ-CB 4.27Å; F60-F98 AromaticContact CZ-CD1 3.91Å; F60-F98 HydrophobicContact CZ-CD1 3.91Å; F60-F98 HydrophobicContact CZ-CD2 4.14Å; F60-F98 HydrophobicContact CZ-CE1 4.24Å; F60-F98 HydrophobicContact CZ-CE2 4.46Å; F60-F98 AromaticContact CZ-CG 3.85Å; F60-F98 HydrophobicContact CZ-CG 3.85Å; F60-F98 HydrophobicContact CZ-CZ 4.48Å; L93-F98 HydrophobicContact CD2-CD2 4.37Å; L93-F98 PolarHBondContact O-N 3.5Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-F98 HydrophobicContact CB-CD2 3.7Å; L96-F98 HydrophobicContact CB-CE2 4.05Å; L96-F98 PolarHBondContact O-N 3.02Å; F98-S123 VanDerWaalsContact O-CB 3.3Å; F98-S123 WeakPolarHBondContact O-CB 3.47Å
99	L	85.3	Confident	66.9	Low	15 Å²	15	61.7 Å²	61.7	8%	0.079	37%	0.373	C	S	.	.	S	Bend	trans	-99.9	157	177.5	-53.6	178.4	0	0	0	110.5	L93 L94 S123 L125	L93-L99 HydrophobicContact CB-CD1 3.71Å; L93-L99 HydrophobicContact CB-CG 3.92Å; L93-L99 HydrophobicContact CD1-CD1 4.42Å; L94-L99 HydrophobicContact CB-CB 4.46Å; L94-L99 HydrophobicContact CD1-CB 4.15Å; L94-L99 VanDerWaalsContact CD1-O 3.28Å; L94-L99 WeakPolarHBondContact CD1-O 3.39Å; L99-S123 WeakPolarHBondContact CD2-O 3.48Å; L99-L125 HydrophobicContact CD1-CB 4.22Å; L99-L125 HydrophobicContact CD2-CB 4.47Å
100	N	75.6	Confident	64.7	Low	90 Å²	90	62.9 Å²	62.9	48%	0.481	38%	0.383	S	S	.	.			trans	-112.3	155.8	175.5	-92.5	-20.6	0	0	0	112.1	Q122	N100-Q122 PolarHBondContact ND2-NE2 3.45Å; N100-Q122 PolarHBondContact ND2-OE1 3.23Å
101	T	57.9	Low	62.5	Low	103 Å²	103	64 Å²	64	63%	0.632	39%	0.393	S	S	*	.	S	Bend	trans	-84.2	-13.9	-178.3	48.8	0	0	0	0	114.8	L94	L94-T101 HydrophobicContact CD1-CG2 3.88Å; L94-T101 HydrophobicContact CD2-CG2 4.02Å; L94-T101 HydrophobicContact CG-CG2 4.43Å
102	Q	49.3	Very low	60.2	Low	186 Å²	186	62 Å²	62	87%	0.869	39%	0.391	S	S	*	.			trans	-96.3	4.3	-164.3	-75.5	-169.9	-14	0	0	116.9	G104	Q102-G104 PolarHBondContact O-N 3.45Å
103	T	45.5	Very low	57.9	Low	50 Å²	50	68.8 Å²	68.8	31%	0.307	42%	0.423	S	S	.	.			trans	-90.2	111.4	179.6	37.1	0	0	0	0	111.1	H105	T103-H105 WeakPolarHBondContact CB-NE2 3Å; T103-H105 PolarHBondContact O-CD2 3.39Å; T103-H105 PolarHBondContact O-N 2.87Å; T103-H105 PolarHBondContact OG1-CD2 2.95Å; T103-H105 VanDerWaalsContact OG1-CD2 3.27Å; T103-H105 PolarHBondContact OG1-NE2 3.37Å
104	G	39.5	Very low	55.6	Low	61 Å²	61	74.8 Å²	74.8	63%	0.629	46%	0.46	S	S	*	.			trans	-61.9	96.2	164.6	0	0	0	0	0	109.4	Q102 T112	Q102-G104 PolarHBondContact O-N 3.45Å; G104-T112 WeakPolarHBondContact O-CG2 3.24Å
105	H	38.4	Very low	53.6	Low	91 Å²	91	75.8 Å²	75.8	42%	0.421	47%	0.47	S	S	.	.			trans	-87.2	135.7	-175.6	-78.7	-70.6	0	0	0	112.1	T103 G109 A110	T103-H105 WeakPolarHBondContact CB-NE2 3Å; T103-H105 PolarHBondContact O-CD2 3.39Å; T103-H105 PolarHBondContact O-N 2.87Å; T103-H105 PolarHBondContact OG1-CD2 2.95Å; T103-H105 VanDerWaalsContact OG1-CD2 3.27Å; T103-H105 PolarHBondContact OG1-NE2 3.37Å; H105-G109 PolarHBondContact ND1-O 3.49Å; H105-A110 PolarHBondContact ND1-O 3.47Å
106	C	36.2	Very low	51.8	Low	61 Å²	61	74.3 Å²	74.3	41%	0.412	46%	0.464	S	S	.	.			trans	-51.7	148.3	150.1	159	0	0	0	0	109.4	C108 G109	C106-C108 WeakPolarHBondContact CB-SG 3.45Å; C106-C108 PolarHBondContact O-N 2.9Å; C106-C108 WeakPolarHBondContact SG-CB 3.26Å; C106-C108 PolarHBondContact SG-N 2.9Å; C106-C108 CovalentContact SG-SG 2.08Å; C106-C108 PolarHBondContact SG-SG 3.03Å; C106-G109 PolarHBondContact O-N 3.06Å
107	S	32.8	Very low	50	Low	113 Å²	113	76.9 Å²	76.9	79%	0.79	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-5.7	173.3	43.3	0	0	0	0	115.2
108	C	40.1	Very low	48.4	Very low	77 Å²	77	77.7 Å²	77.7	52%	0.52	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.4	176.3	59.6	0	0	0	0	115	C106 A110	C106-C108 WeakPolarHBondContact CB-SG 3.45Å; C106-C108 PolarHBondContact O-N 2.9Å; C106-C108 WeakPolarHBondContact SG-CB 3.26Å; C106-C108 PolarHBondContact SG-N 2.9Å; C106-C108 CovalentContact SG-SG 2.08Å; C106-C108 PolarHBondContact SG-SG 3.03Å; C108-A110 PolarHBondContact O-N 3.11Å
109	G	41.7	Very low	47.4	Very low	31 Å²	31	78.8 Å²	78.8	32%	0.32	50%	0.503	S	S	.	.			trans	68.5	-0.2	178.8	0	0	0	0	0	115.4	H105 C106	H105-G109 PolarHBondContact ND1-O 3.49Å; C106-G109 PolarHBondContact O-N 3.06Å
110	A	36.9	Very low	46.7	Very low	24 Å²	24	85.6 Å²	85.6	20%	0.198	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-66.9	140.3	171.8	0	0	0	0	0	109.8	H105 C108 T112	H105-A110 PolarHBondContact ND1-O 3.47Å; C108-A110 PolarHBondContact O-N 3.11Å; A110-T112 PolarHBondContact O-N 2.84Å
111	P	39.3	Very low	46.7	Very low	58 Å²	58	82.1 Å²	82.1	38%	0.377	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-56.8	132.9	161.8	24.5	-30.3	0	0	0	107.6	Q113	P111-Q113 PolarHBondContact O-N 3.42Å
112	T	37.5	Very low	47.9	Very low	78 Å²	78	81.7 Å²	81.7	48%	0.479	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-49.4	127.8	168.3	28.2	0	0	0	0	107.6	G104 A110 T114	G104-T112 WeakPolarHBondContact O-CG2 3.24Å; A110-T112 PolarHBondContact O-N 2.84Å; T112-T114 PolarHBondContact O-N 3.44Å
113	Q	39.5	Very low	49.7	Very low	190 Å²	190	73.8 Å²	73.8	89%	0.888	47%	0.47	S	S	*	.	S	Bend	trans	-63.8	78.4	176.2	-73.6	-178.2	2.2	0	0	109.4	P111	P111-Q113 PolarHBondContact O-N 3.42Å
114	T	38.7	Very low	51.6	Low	126 Å²	126	72.2 Å²	72.2	77%	0.773	46%	0.46	S	S	*	.			trans	177.3	53.2	164.1	39.6	0	0	0	0	108.2	T112 A116	T112-T114 PolarHBondContact O-N 3.44Å; T114-A116 PolarHBondContact O-N 3.32Å
115	S	45.8	Very low	53.8	Low	66 Å²	66	70.2 Å²	70.2	46%	0.462	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-58.8	124.6	153.8	55.4	0	0	0	0	106.8
116	A	49.6	Very low	55.9	Low	69 Å²	69	66.6 Å²	66.6	57%	0.57	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-48.9	140.3	-179.8	0	0	0	0	0	110.5	T114 G118 A119	T114-A116 PolarHBondContact O-N 3.32Å; A116-G118 PolarHBondContact O-N 3.05Å; A116-G118 VanDerWaalsContact O-N 3.13Å; A116-A119 VanDerWaalsContact O-CB 3.25Å; A116-A119 WeakPolarHBondContact O-CB 3.27Å; A116-A119 PolarHBondContact O-N 2.87Å
117	P	49	Very low	57.9	Low	71 Å²	71	66.8 Å²	66.8	46%	0.461	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	121.8	-179.5	20.1	-29.9	0	0	0	110.4	L443 H444	P117-L443 WeakPolarHBondContact CB-O 3.5Å; P117-H444 WeakPolarHBondContact CB-ND1 3.14Å
118	G	53.1	Low	59.7	Low	53 Å²	53	64 Å²	64	55%	0.546	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	1.5	-173.8	0	0	0	0	0	115.9	A116 K120	A116-G118 PolarHBondContact O-N 3.05Å; A116-G118 VanDerWaalsContact O-N 3.13Å; G118-K120 PolarHBondContact O-N 2.92Å
119	A	63.8	Low	61	Low	42 Å²	42	64.9 Å²	64.9	35%	0.347	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-66.9	127.1	171.3	0	0	0	0	0	110.9	A116	A116-A119 VanDerWaalsContact O-CB 3.25Å; A116-A119 WeakPolarHBondContact O-CB 3.27Å; A116-A119 PolarHBondContact O-N 2.87Å
120	K	70.9	Confident	61.9	Low	157 Å²	157	71 Å²	71	68%	0.683	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-57	134.8	176.5	-74.5	-172.3	175.2	-173	0	110.1	G118 Q122	G118-K120 PolarHBondContact O-N 2.92Å; K120-Q122 PolarHBondContact O-N 3.5Å
121	P	75.9	Confident	62.9	Low	18 Å²	18	77.5 Å²	77.5	12%	0.117	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-59.8	134.3	175.5	26.6	-33.9	0	0	0	109.2	P57 Q142 V143 N146	P57-P121 HydrophobicContact CB-CB 4.48Å; P57-P121 HydrophobicContact CG-CB 3.88Å; P57-P121 HydrophobicContact CG-CG 3.88Å; P121-Q142 HydrophobicContact CB-CG 3.99Å; P121-V143 HydrophobicContact CB-CG2 4.13Å; P121-V143 HydrophobicContact CG-CG2 4.45Å; P121-N146 VanDerWaalsContact CD-CG 3.41Å; P121-N146 WeakPolarHBondContact CD-OD1 3.26Å; P121-N146 HydrophobicContact CG-CB 3.83Å
122	Q	82.6	Confident	63.8	Low	93 Å²	93	79.4 Å²	79.4	44%	0.435	43%	0.432	S	S	.	.			trans	-105.8	151.9	179.9	-67.8	-176.8	1.1	0	0	110	N100 K120	N100-Q122 PolarHBondContact ND2-NE2 3.45Å; N100-Q122 PolarHBondContact ND2-OE1 3.23Å; K120-Q122 PolarHBondContact O-N 3.5Å
123	S	87	Confident	65.1	Low	20 Å²	20	79 Å²	79	14%	0.14	43%	0.431	C	S	.	.			trans	-64.2	150.2	170.9	-51.3	0	0	0	0	110	I58 F98 L99	I58-S123 PolarHBondContact N-OG 2.75Å; I58-S123 CarbonylContact O-C 3.51Å; I58-S123 WeakPolarHBondContact O-CA 3.42Å; I58-S123 WeakPolarHBondContact O-CB 3.36Å; F98-S123 VanDerWaalsContact O-CB 3.3Å; F98-S123 WeakPolarHBondContact O-CB 3.47Å; L99-S123 WeakPolarHBondContact CD2-O 3.48Å
124	M	86.1	Confident	66.7	Low	18 Å²	18	78.2 Å²	78.2	9%	0.089	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.8	-177.2	69	177.8	-60.4	0	0	111.8	I58 C59 F60 L126 P135 F139	I58-M124 PolarHBondContact O-N 3.26Å; C59-M124 HydrophobicContact CB-CG 4.35Å; F60-M124 PolarHBondContact N-O 2.94Å; M124-L126 HydrophobicContact CE-CD2 4.42Å; M124-L126 HydrophobicContact CE-CG 4.25Å; M124-P135 HydrophobicContact CE-CB 3.68Å; M124-F139 HydrophobicContact CG-CD2 4Å; M124-F139 HydrophobicContact CG-CE2 4.4Å; M124-F139 HydrophobicContact SD-CB 3.79Å; M124-F139 HydrophobicContact SD-CD2 3.8Å; M124-F139 HydrophobicContact SD-CG 4.02Å
125	L	85.4	Confident	68.5	Low	19 Å²	19	73.2 Å²	73.2	10%	0.099	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.9	175.7	176.7	64.1	0	0	0	110.7	F60 L89 H90 L93 L99 E127	F60-L125 HydrophobicContact CB-CB 4.48Å; F60-L125 HydrophobicContact CB-CD1 3.62Å; L89-L125 HydrophobicContact CD2-CD1 3.84Å; L89-L125 HydrophobicContact CD2-CD2 4.38Å; L89-L125 HydrophobicContact CG-CD1 4.29Å; L89-L125 HydrophobicContact CG-CD2 4.18Å; H90-L125 HydrophobicContact CB-CD2 3.88Å; L93-L125 HydrophobicContact CD1-CB 4.37Å; L93-L125 HydrophobicContact CD1-CD1 3.96Å; L93-L125 HydrophobicContact CD1-CD2 4.17Å; L93-L125 HydrophobicContact CD1-CG 4.4Å; L99-L125 HydrophobicContact CD1-CB 4.22Å; L99-L125 HydrophobicContact CD2-CB 4.47Å; L125-E127 HydrophobicContact CD2-CG 4.35Å; L125-E127 WeakPolarHBondContact CD2-OE1 3.23Å; L125-E127 HydrophobicContact CG-CG 4.37Å
126	L	82.9	Confident	70.1	Confident	14 Å²	14	72.2 Å²	72.2	7%	0.073	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.1	171.6	-78.6	162.2	0	0	0	109.2	F60 L61 R62 M124 P135	F60-L126 PolarHBondContact O-N 3.45Å; L61-L126 HydrophobicContact CD2-CB 3.99Å; L61-L126 HydrophobicContact CD2-CD1 3.42Å; L61-L126 VanDerWaalsContact CD2-CD1 3.42Å; L61-L126 HydrophobicContact CD2-CG 4.32Å; R62-L126 PolarHBondContact N-O 3.44Å; M124-L126 HydrophobicContact CE-CD2 4.42Å; M124-L126 HydrophobicContact CE-CG 4.25Å; L126-P135 HydrophobicContact CD2-CB 4Å; L126-P135 HydrophobicContact CD2-CG 3.7Å
127	E	77	Confident	71.6	Confident	65 Å²	65	73.3 Å²	73.3	30%	0.304	38%	0.378	S	S	.	.	S	Bend	trans	-74.1	-22.1	-174.7	-71.7	-76.6	-178.4	0	0	114.6	R62 S87 L125	R62-E127 WeakPolarHBondContact CD-OE2 3.49Å; R62-E127 IonicContact CZ-OE2 2.73Å; R62-E127 IonicContact NH1-OE2 3.89Å; R62-E127 PolarHBondContact NH1-OE2 3.2Å; S87-E127 WeakPolarHBondContact CB-OE1 3.4Å; S87-E127 PolarHBondContact OG-OE1 3.36Å; L125-E127 HydrophobicContact CD2-CG 4.35Å; L125-E127 WeakPolarHBondContact CD2-OE1 3.23Å; L125-E127 HydrophobicContact CG-CG 4.37Å
128	S	71.2	Confident	73	Confident	54 Å²	54	73 Å²	73	38%	0.378	38%	0.376	S	S	.	.			trans	-148.5	97.8	-175.9	172.4	0	0	0	0	111.3	E130	S128-E130 PolarHBondContact O-N 3.01Å
129	F	66.6	Low	74.4	Confident	97 Å²	97	70.7 Å²	70.7	43%	0.425	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-62.6	-36.8	-178.9	-169	-104.5	0	0	0	113.6	L61 R131 P133	L61-F129 HydrophobicContact CD2-CD2 4.17Å; L61-F129 HydrophobicContact CD2-CE2 4.5Å; F129-R131 VanDerWaalsContact C-N 3.32Å; F129-R131 PolarHBondContact O-N 3.23Å; F129-P133 HydrophobicContact CE2-CB 4.13Å; F129-P133 HydrophobicContact CZ-CB 4.37Å
130	E	61.9	Low	75.3	Confident	160 Å²	160	69.9 Å²	69.9	75%	0.748	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-66.4	-27.6	-175.3	-63.6	-169	167.1	0	0	114.4	P64 S128	P64-E130 HydrophobicContact CG-CG 4.19Å; S128-E130 PolarHBondContact O-N 3.01Å
131	R	57.3	Low	75.9	Confident	159 Å²	159	70.4 Å²	70.4	60%	0.6	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-83.5	-22	-172	-72.4	-176.1	-177.8	-169.3	0.2	113.5	E79 F129	E79-R131 IonicContact OE1-NH2 3.31Å; E79-R131 IonicContact OE2-CZ 2.65Å; E79-R131 IonicContact OE2-NH1 3.25Å; E79-R131 IonicContact OE2-NH2 2.67Å; E79-R131 PolarHBondContact OE2-NH2 3.46Å; F129-R131 VanDerWaalsContact C-N 3.32Å; F129-R131 PolarHBondContact O-N 3.23Å
132	Q	59.1	Low	76.2	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	35%	0.346	S	S	.	.			trans	171.2	119.9	164.4	-100.5	158.6	32.1	0	0	112.5	R134	Q132-R134 HydrophobicContact CB-CB 4.39Å; Q132-R134 HydrophobicContact CB-CG 4.03Å; Q132-R134 HydrophobicContact CG-CG 3.97Å; Q132-R134 PolarHBondContact O-N 3.48Å; Q132-R134 VanDerWaalsContact OE1-CD 3.28Å
133	P	64.5	Low	76.2	Confident	69 Å²	69	67.2 Å²	67.2	45%	0.448	33%	0.326	S	S	.	.			trans	-75.2	12.1	173	31.8	-36	0	0	0	113.8	F129 P135 L136	F129-P133 HydrophobicContact CE2-CB 4.13Å; F129-P133 HydrophobicContact CZ-CB 4.37Å; P133-P135 VanDerWaalsContact C-N 3.3Å; P133-P135 VanDerWaalsContact O-N 3.13Å; P133-L136 WeakPolarHBondContact O-CB 3.49Å; P133-L136 PolarHBondContact O-N 2.99Å; P133-L136 VanDerWaalsContact O-N 3.11Å
134	R	71.4	Confident	76.1	Confident	173 Å²	173	69 Å²	69	65%	0.653	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-34.5	-173	-71.9	-176	-179.5	175.2	-6.6	114.9	Q132 L136 P138	Q132-R134 HydrophobicContact CB-CB 4.39Å; Q132-R134 HydrophobicContact CB-CG 4.03Å; Q132-R134 HydrophobicContact CG-CG 3.97Å; Q132-R134 PolarHBondContact O-N 3.48Å; Q132-R134 VanDerWaalsContact OE1-CD 3.28Å; R134-L136 VanDerWaalsContact C-N 3.33Å; R134-L136 PolarHBondContact O-N 3.14Å; R134-P138 WeakPolarHBondContact O-CD 3.4Å
135	P	76.8	Confident	76.1	Confident	21 Å²	21	71.9 Å²	71.9	14%	0.136	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.6	-178	-19.7	35.9	0	0	0	115	M124 L126 P133 P138 F139	M124-P135 HydrophobicContact CE-CB 3.68Å; L126-P135 HydrophobicContact CD2-CB 4Å; L126-P135 HydrophobicContact CD2-CG 3.7Å; P133-P135 VanDerWaalsContact C-N 3.3Å; P133-P135 VanDerWaalsContact O-N 3.13Å; P135-P138 WeakPolarHBondContact O-CD 3.43Å; P135-F139 WeakPolarHBondContact O-CB 3.3Å; P135-F139 PolarHBondContact O-N 2.87Å
136	L	79.3	Confident	76	Confident	45 Å²	45	72.1 Å²	72.1	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-64.2	-42.6	-178.6	-170	70.2	0	0	0	112.5	L31 P133 R134 F139 A140	L31-L136 HydrophobicContact CD1-CD1 4.03Å; L31-L136 HydrophobicContact CD1-CD2 4.48Å; L31-L136 HydrophobicContact CD2-CD1 3.39Å; L31-L136 HydrophobicContact CG-CD1 4.37Å; P133-L136 WeakPolarHBondContact O-CB 3.49Å; P133-L136 PolarHBondContact O-N 2.99Å; P133-L136 VanDerWaalsContact O-N 3.11Å; R134-L136 VanDerWaalsContact C-N 3.33Å; R134-L136 PolarHBondContact O-N 3.14Å; L136-F139 PolarHBondContact O-N 3.41Å; L136-A140 WeakPolarHBondContact O-CB 3.39Å; L136-A140 PolarHBondContact O-N 2.88Å
137	V	81.2	Confident	76.1	Confident	93 Å²	93	73.9 Å²	73.9	56%	0.564	36%	0.356	S	S	*	.	H	α-helix	trans	-67.2	-47.9	-179.8	173.1	0	0	0	0	111.7	F139 A140 R141	V137-F139 VanDerWaalsContact C-N 3.33Å; V137-F139 PolarHBondContact O-N 2.89Å; V137-A140 PolarHBondContact O-N 3.37Å; V137-R141 VanDerWaalsContact O-CB 3.26Å; V137-R141 WeakPolarHBondContact O-CB 3.21Å; V137-R141 PolarHBondContact O-N 3.5Å
138	P	79.9	Confident	76.6	Confident	65 Å²	65	76 Å²	76	42%	0.422	37%	0.366	S	S	.	.	H	α-helix	trans	-55.1	-43.6	169.9	-27.6	34.1	0	0	0	113.7	R134 P135 R141 Q142	R134-P138 WeakPolarHBondContact O-CD 3.4Å; P135-P138 WeakPolarHBondContact O-CD 3.43Å; P138-R141 PolarHBondContact O-N 2.88Å; P138-Q142 WeakPolarHBondContact O-CB 3.49Å; P138-Q142 PolarHBondContact O-N 3.06Å
139	F	82.8	Confident	77.4	Confident	4 Å²	4	74 Å²	74	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-55	176.8	173.8	-97.1	0	0	0	111.5	V29 P57 C59 M124 P135 L136 V137 R141 Q142 V143	V29-F139 HydrophobicContact CG1-CD1 4.16Å; V29-F139 HydrophobicContact CG1-CE1 3.93Å; P57-F139 HydrophobicContact CB-CE2 4.06Å; P57-F139 HydrophobicContact CB-CZ 4.17Å; P57-F139 HydrophobicContact CG-CE2 4.35Å; P57-F139 HydrophobicContact CG-CZ 4.25Å; C59-F139 HydrophobicContact CB-CD1 3.76Å; C59-F139 HydrophobicContact CB-CE1 3.56Å; C59-F139 HydrophobicContact CB-CE2 4.34Å; C59-F139 HydrophobicContact CB-CG 4.26Å; C59-F139 HydrophobicContact CB-CZ 3.87Å; M124-F139 HydrophobicContact CG-CD2 4Å; M124-F139 HydrophobicContact CG-CE2 4.4Å; M124-F139 HydrophobicContact SD-CB 3.79Å; M124-F139 HydrophobicContact SD-CD2 3.8Å; M124-F139 HydrophobicContact SD-CG 4.02Å; P135-F139 WeakPolarHBondContact O-CB 3.3Å; P135-F139 PolarHBondContact O-N 2.87Å; L136-F139 PolarHBondContact O-N 3.41Å; V137-F139 VanDerWaalsContact C-N 3.33Å; V137-F139 PolarHBondContact O-N 2.89Å; F139-R141 VanDerWaalsContact C-N 3.28Å; F139-R141 PolarHBondContact O-N 3.49Å; F139-Q142 PolarHBondContact O-N 3.1Å; F139-Q142 VanDerWaalsContact O-N 3.07Å; F139-V143 HydrophobicContact CD1-CG2 4.4Å; F139-V143 HydrophobicContact CD2-CG2 4.48Å; F139-V143 HydrophobicContact CE1-CG2 4Å; F139-V143 HydrophobicContact CE2-CG2 4.1Å; F139-V143 HydrophobicContact CZ-CG2 3.84Å; F139-V143 WeakPolarHBondContact O-CG2 3.32Å; F139-V143 PolarHBondContact O-N 3.47Å
140	A	82.6	Confident	78.4	Confident	25 Å²	25	73.2 Å²	73.2	21%	0.207	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-42.2	179	0	0	0	0	0	111.6	V29 L136 V137 Q142 V143 L144	V29-A140 HydrophobicContact CG1-CB 3.95Å; V29-A140 HydrophobicContact CG2-CB 4.36Å; L136-A140 WeakPolarHBondContact O-CB 3.39Å; L136-A140 PolarHBondContact O-N 2.88Å; V137-A140 PolarHBondContact O-N 3.37Å; A140-Q142 PolarHBondContact O-N 3.01Å; A140-V143 PolarHBondContact O-N 3.19Å; A140-L144 WeakPolarHBondContact O-CB 3.47Å; A140-L144 VanDerWaalsContact O-CG 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.29Å; A140-L144 PolarHBondContact O-N 3.37Å
141	R	83.8	Confident	79.8	Confident	167 Å²	167	68.5 Å²	68.5	63%	0.63	34%	0.338	S	S	*	.	H	α-helix	trans	-60	-45.6	175.2	-176.8	-178.8	-62.6	-94.6	-1.8	111.7	V137 P138 F139 L144 Q145	V137-R141 VanDerWaalsContact O-CB 3.26Å; V137-R141 WeakPolarHBondContact O-CB 3.21Å; V137-R141 PolarHBondContact O-N 3.5Å; P138-R141 PolarHBondContact O-N 2.88Å; F139-R141 VanDerWaalsContact C-N 3.28Å; F139-R141 PolarHBondContact O-N 3.49Å; R141-L144 PolarHBondContact O-N 3.32Å; R141-Q145 WeakPolarHBondContact O-CB 3.46Å; R141-Q145 PolarHBondContact O-N 2.7Å
142	Q	81.8	Confident	81.4	Confident	43 Å²	43	61.1 Å²	61.1	20%	0.201	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-40.6	-179.5	-164.9	-176.6	-3.5	0	0	111.9	P121 P138 F139 A140 N146	P121-Q142 HydrophobicContact CB-CG 3.99Å; P138-Q142 WeakPolarHBondContact O-CB 3.49Å; P138-Q142 PolarHBondContact O-N 3.06Å; F139-Q142 PolarHBondContact O-N 3.1Å; F139-Q142 VanDerWaalsContact O-N 3.07Å; A140-Q142 PolarHBondContact O-N 3.01Å; Q142-N146 WeakPolarHBondContact O-CB 3.08Å; Q142-N146 PolarHBondContact O-N 2.91Å
143	V	82.7	Confident	83	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-51.5	176	175.9	0	0	0	0	111	V29 P57 P121 F139 A140 Q145 N146 Q147	V29-V143 HydrophobicContact CG2-CG1 4.42Å; P57-V143 HydrophobicContact CG-CG1 4.49Å; P57-V143 HydrophobicContact CG-CG2 3.5Å; P57-V143 VanDerWaalsContact CG-CG2 3.5Å; P121-V143 HydrophobicContact CB-CG2 4.13Å; P121-V143 HydrophobicContact CG-CG2 4.45Å; F139-V143 HydrophobicContact CD1-CG2 4.4Å; F139-V143 HydrophobicContact CD2-CG2 4.48Å; F139-V143 HydrophobicContact CE1-CG2 4Å; F139-V143 HydrophobicContact CE2-CG2 4.1Å; F139-V143 HydrophobicContact CZ-CG2 3.84Å; F139-V143 WeakPolarHBondContact O-CG2 3.32Å; F139-V143 PolarHBondContact O-N 3.47Å; A140-V143 PolarHBondContact O-N 3.19Å; V143-Q145 PolarHBondContact O-N 2.96Å; V143-N146 PolarHBondContact O-N 2.72Å; V143-Q147 WeakPolarHBondContact O-CG 3.43Å; V143-Q147 PolarHBondContact O-N 3.46Å; V143-Q147 VanDerWaalsContact O-N 3.12Å
144	L	84.6	Confident	84.3	Confident	58 Å²	58	61.8 Å²	61.8	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-40.4	180	-67.3	173.2	0	0	0	111.9	V27 V29 A140 R141 Q147 Q148	V27-L144 HydrophobicContact CG1-CD2 4.08Å; V29-L144 HydrophobicContact CG2-CD2 4.32Å; V29-L144 HydrophobicContact CG2-CG 4.28Å; A140-L144 WeakPolarHBondContact O-CB 3.47Å; A140-L144 VanDerWaalsContact O-CG 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.29Å; A140-L144 PolarHBondContact O-N 3.37Å; R141-L144 PolarHBondContact O-N 3.32Å; L144-Q147 PolarHBondContact O-N 3.44Å; L144-Q148 WeakPolarHBondContact O-CG 3.32Å; L144-Q148 PolarHBondContact O-N 2.99Å
145	Q	84.9	Confident	85.5	Confident	78 Å²	78	57 Å²	57	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176.2	-176.1	177.9	6	0	0	111.6	R141 V143 Q147 Q148 V149 L442	R141-Q145 WeakPolarHBondContact O-CB 3.46Å; R141-Q145 PolarHBondContact O-N 2.7Å; V143-Q145 PolarHBondContact O-N 2.96Å; Q145-Q147 VanDerWaalsContact C-N 3.29Å; Q145-Q147 PolarHBondContact O-N 2.87Å; Q145-Q148 PolarHBondContact O-N 2.83Å; Q145-V149 WeakPolarHBondContact O-CG2 3.28Å; Q145-V149 PolarHBondContact O-N 3.05Å; Q145-L442 PolarHBondContact NE2-O 3.29Å
146	N	84.9	Confident	86.3	Confident	24 Å²	24	56.9 Å²	56.9	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-41.9	176.1	-174.6	81.6	0	0	0	111.6	P121 Q142 V143 V149 E150	P121-N146 VanDerWaalsContact CD-CG 3.41Å; P121-N146 WeakPolarHBondContact CD-OD1 3.26Å; P121-N146 HydrophobicContact CG-CB 3.83Å; Q142-N146 WeakPolarHBondContact O-CB 3.08Å; Q142-N146 PolarHBondContact O-N 2.91Å; V143-N146 PolarHBondContact O-N 2.72Å; N146-V149 WeakPolarHBondContact O-CB 3.39Å; N146-V149 PolarHBondContact O-N 2.9Å; N146-E150 PolarHBondContact ND2-OE1 3.23Å; N146-E150 WeakPolarHBondContact O-CG 3.5Å; N146-E150 PolarHBondContact O-N 2.91Å
147	Q	83.3	Confident	87	Confident	51 Å²	51	56.2 Å²	56.2	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-41.5	176.8	-70.4	-65.7	-39.7	0	0	112.1	V27 V143 L144 Q145 V149 E150 A151	V27-Q147 HydrophobicContact CG1-CB 4.18Å; V27-Q147 HydrophobicContact CG1-CG 3.72Å; V143-Q147 WeakPolarHBondContact O-CG 3.43Å; V143-Q147 PolarHBondContact O-N 3.46Å; V143-Q147 VanDerWaalsContact O-N 3.12Å; L144-Q147 PolarHBondContact O-N 3.44Å; Q145-Q147 VanDerWaalsContact C-N 3.29Å; Q145-Q147 PolarHBondContact O-N 2.87Å; Q147-V149 VanDerWaalsContact C-N 3.32Å; Q147-V149 PolarHBondContact O-N 3.13Å; Q147-E150 PolarHBondContact NE2-OE2 3.11Å; Q147-E150 PolarHBondContact O-N 3.16Å; Q147-A151 WeakPolarHBondContact O-CB 3.28Å; Q147-A151 PolarHBondContact O-N 3.11Å
148	Q	88.1	Confident	87.6	Confident	109 Å²	109	55.3 Å²	55.3	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-40.4	172.8	-71.1	177.9	-20.8	0	0	112	L144 Q145 A152 L442	L144-Q148 WeakPolarHBondContact O-CG 3.32Å; L144-Q148 PolarHBondContact O-N 2.99Å; Q145-Q148 PolarHBondContact O-N 2.83Å; Q148-A152 VanDerWaalsContact O-CB 3.25Å; Q148-A152 WeakPolarHBondContact O-CB 3.26Å; Q148-A152 PolarHBondContact O-N 3.36Å; Q148-L442 HydrophobicContact CB-CD1 3.79Å; Q148-L442 HydrophobicContact CB-CD2 3.99Å; Q148-L442 VanDerWaalsContact OE1-CD2 3.3Å
149	V	88.8	Confident	88.3	Confident	12 Å²	12	53.8 Å²	53.8	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-44.1	175.5	168.6	0	0	0	0	111.1	Q145 N146 Q147 A152 N153 L442 L443	Q145-V149 WeakPolarHBondContact O-CG2 3.28Å; Q145-V149 PolarHBondContact O-N 3.05Å; N146-V149 WeakPolarHBondContact O-CB 3.39Å; N146-V149 PolarHBondContact O-N 2.9Å; Q147-V149 VanDerWaalsContact C-N 3.32Å; Q147-V149 PolarHBondContact O-N 3.13Å; V149-A152 PolarHBondContact O-N 2.9Å; V149-N153 WeakPolarHBondContact O-CB 3.3Å; V149-N153 PolarHBondContact O-N 3.43Å; V149-N153 PolarHBondContact O-ND2 3.23Å; V149-N153 VanDerWaalsContact O-ND2 3.12Å; V149-L442 HydrophobicContact CG2-CB 3.64Å; V149-L443 HydrophobicContact CB-CD2 4.48Å; V149-L443 HydrophobicContact CG1-CD1 4.39Å; V149-L443 HydrophobicContact CG1-CD2 3.64Å; V149-L443 HydrophobicContact CG1-CG 3.94Å; V149-L443 HydrophobicContact CG2-CD2 3.96Å; V149-L443 HydrophobicContact CG2-CG 4.03Å
150	E	87.6	Confident	88.7	Confident	80 Å²	80	55.1 Å²	55.1	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-45.2	176.9	-75.8	177.8	177.4	0	0	111.8	N146 Q147 N153 L154	N146-E150 PolarHBondContact ND2-OE1 3.23Å; N146-E150 WeakPolarHBondContact O-CG 3.5Å; N146-E150 PolarHBondContact O-N 2.91Å; Q147-E150 PolarHBondContact NE2-OE2 3.11Å; Q147-E150 PolarHBondContact O-N 3.16Å; E150-N153 WeakPolarHBondContact O-CB 3.34Å; E150-N153 PolarHBondContact O-N 3.37Å; E150-L154 PolarHBondContact O-N 2.99Å
151	A	89.8	Confident	89.1	Confident	62 Å²	62	61.3 Å²	61.3	51%	0.512	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-44.4	174.8	0	0	0	0	0	112	Q147 N153 L154 L155	Q147-A151 WeakPolarHBondContact O-CB 3.28Å; Q147-A151 PolarHBondContact O-N 3.11Å; A151-N153 VanDerWaalsContact C-N 3.34Å; A151-N153 PolarHBondContact O-N 3.48Å; A151-L154 PolarHBondContact O-N 3.32Å; A151-L155 WeakPolarHBondContact O-CB 3.32Å; A151-L155 PolarHBondContact O-N 3.15Å
152	A	92.2	Very high	89.5	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-36.2	177	0	0	0	0	0	112.2	Q148 V149 N156 L438 R439 L442	Q148-A152 VanDerWaalsContact O-CB 3.25Å; Q148-A152 WeakPolarHBondContact O-CB 3.26Å; Q148-A152 PolarHBondContact O-N 3.36Å; V149-A152 PolarHBondContact O-N 2.9Å; A152-N156 VanDerWaalsContact O-CB 3.23Å; A152-N156 WeakPolarHBondContact O-CB 3.47Å; A152-N156 PolarHBondContact O-N 3.41Å; A152-L438 HydrophobicContact CB-CD2 4.39Å; A152-L438 HydrophobicContact CB-CG 4.34Å; A152-R439 HydrophobicContact CB-CB 3.91Å; A152-L442 HydrophobicContact CB-CD1 4.03Å
153	N	91.6	Very high	89.9	Confident	63 Å²	63	53.9 Å²	53.9	34%	0.337	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-47.7	172.5	-79.6	-36.8	0	0	0	111.4	V149 E150 A151 N156 G157 R439	V149-N153 WeakPolarHBondContact O-CB 3.3Å; V149-N153 PolarHBondContact O-N 3.43Å; V149-N153 PolarHBondContact O-ND2 3.23Å; V149-N153 VanDerWaalsContact O-ND2 3.12Å; E150-N153 WeakPolarHBondContact O-CB 3.34Å; E150-N153 PolarHBondContact O-N 3.37Å; A151-N153 VanDerWaalsContact C-N 3.34Å; A151-N153 PolarHBondContact O-N 3.48Å; N153-N156 PolarHBondContact O-N 2.95Å; N153-G157 PolarHBondContact O-N 3.48Å; N153-R439 WeakPolarHBondContact OD1-CD 3.43Å; N153-R439 WeakPolarHBondContact OD1-CG 3.26Å; N153-R439 PolarHBondContact OD1-NE 3.03Å
154	L	93.3	Very high	90.2	Very high	119 Å²	119	56.4 Å²	56.4	62%	0.623	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-46	179.2	-177.1	64.6	0	0	0	111.2	E150 A151 G157 L158	E150-L154 PolarHBondContact O-N 2.99Å; A151-L154 PolarHBondContact O-N 3.32Å; L154-G157 PolarHBondContact O-N 3.49Å; L154-L158 HydrophobicContact CG-CD1 4.32Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 3.43Å
155	L	95.1	Very high	90.4	Very high	72 Å²	72	59.5 Å²	59.5	38%	0.377	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-46.3	177.4	-177.8	63.5	0	0	0	111.7	A151 L158 H159	A151-L155 WeakPolarHBondContact O-CB 3.32Å; A151-L155 PolarHBondContact O-N 3.15Å; L155-L158 WeakPolarHBondContact O-CB 3.28Å; L155-L158 PolarHBondContact O-N 3.46Å; L155-H159 PolarHBondContact O-N 3.39Å
156	N	94.3	Very high	90.4	Very high	19 Å²	19	59.4 Å²	59.4	10%	0.102	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-42.9	177.3	-179.9	-123.3	0	0	0	111.6	A152 N153 L158 H159 C160 S432 S435	A152-N156 VanDerWaalsContact O-CB 3.23Å; A152-N156 WeakPolarHBondContact O-CB 3.47Å; A152-N156 PolarHBondContact O-N 3.41Å; N153-N156 PolarHBondContact O-N 2.95Å; N156-L158 VanDerWaalsContact C-N 3.31Å; N156-L158 PolarHBondContact O-N 3.47Å; N156-H159 PolarHBondContact O-N 3.42Å; N156-C160 WeakPolarHBondContact O-CB 3.47Å; N156-C160 PolarHBondContact O-N 3.18Å; N156-C160 PolarHBondContact O-SG 3.47Å; N156-C160 VanDerWaalsContact O-SG 3.4Å; N156-S432 PolarHBondContact ND2-O 3.12Å; N156-S435 WeakPolarHBondContact CA-OG 3.3Å; N156-S435 PolarHBondContact ND2-OG 3.39Å
157	G	93.1	Very high	90.2	Very high	31 Å²	31	58.6 Å²	58.6	32%	0.32	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-38.6	174.9	0	0	0	0	0	112.9	N153 L154 R161	N153-G157 PolarHBondContact O-N 3.48Å; L154-G157 PolarHBondContact O-N 3.49Å; G157-R161 WeakPolarHBondContact O-CB 3.19Å; G157-R161 VanDerWaalsContact O-CG 3.3Å; G157-R161 WeakPolarHBondContact O-CG 3.43Å; G157-R161 PolarHBondContact O-N 3.16Å; G157-R161 VanDerWaalsContact O-N 3.08Å
158	L	94.8	Very high	90.2	Very high	73 Å²	73	60.4 Å²	60.4	38%	0.382	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-50.3	172.9	-78.4	161.6	0	0	0	111.8	L154 L155 N156 C160 R161 C162	L154-L158 HydrophobicContact CG-CD1 4.32Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 3.43Å; L155-L158 WeakPolarHBondContact O-CB 3.28Å; L155-L158 PolarHBondContact O-N 3.46Å; N156-L158 VanDerWaalsContact C-N 3.31Å; N156-L158 PolarHBondContact O-N 3.47Å; L158-C160 PolarHBondContact O-N 2.66Å; L158-R161 PolarHBondContact O-N 3.02Å; L158-C162 PolarHBondContact O-N 2.96Å; L158-C162 PolarHBondContact O-SG 3.17Å; L158-C162 VanDerWaalsContact O-SG 3.33Å
159	H	94.6	Very high	89.8	Confident	33 Å²	33	60.1 Å²	60.1	15%	0.153	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-43.6	179.3	-67.4	161.7	0	0	0	112.6	L155 N156 C162 L163 L431 S435	L155-H159 PolarHBondContact O-N 3.39Å; N156-H159 PolarHBondContact O-N 3.42Å; H159-C162 PolarHBondContact O-N 3.21Å; H159-L163 WeakPolarHBondContact O-CB 3.46Å; H159-L163 PolarHBondContact O-N 3.34Å; H159-L431 PolarHBondContact ND1-O 3.31Å; H159-S435 WeakPolarHBondContact ND1-CB 3.35Å; H159-S435 PolarHBondContact ND1-OG 3.17Å
160	C	90.9	Very high	89.3	Confident	33 Å²	33	59.6 Å²	59.6	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-51.5	175.5	-74.3	0	0	0	0	111.5	N156 L158 C162 L163 D164 S432	N156-C160 WeakPolarHBondContact O-CB 3.47Å; N156-C160 PolarHBondContact O-N 3.18Å; N156-C160 PolarHBondContact O-SG 3.47Å; N156-C160 VanDerWaalsContact O-SG 3.4Å; L158-C160 PolarHBondContact O-N 2.66Å; C160-C162 VanDerWaalsContact C-N 3.34Å; C160-C162 PolarHBondContact O-N 2.95Å; C160-L163 PolarHBondContact O-N 2.94Å; C160-L163 VanDerWaalsContact O-N 3.14Å; C160-D164 VanDerWaalsContact O-CG 3.22Å; C160-D164 PolarHBondContact O-N 3.08Å; C160-S432 PolarHBondContact SG-OG 2.93Å; C160-S432 VanDerWaalsContact SG-OG 3.38Å
161	R	92	Very high	88.7	Confident	155 Å²	155	58.9 Å²	58.9	59%	0.585	31%	0.313	S	S	*	.	H	α-helix	trans	-59.7	-43	179	-72.4	-173.9	-51.1	-174.6	6.4	112.6	G157 L158 D164 L165	G157-R161 WeakPolarHBondContact O-CB 3.19Å; G157-R161 VanDerWaalsContact O-CG 3.3Å; G157-R161 WeakPolarHBondContact O-CG 3.43Å; G157-R161 PolarHBondContact O-N 3.16Å; G157-R161 VanDerWaalsContact O-N 3.08Å; L158-R161 PolarHBondContact O-N 3.02Å; R161-D164 PolarHBondContact O-N 3.24Å; R161-L165 WeakPolarHBondContact O-CG 3.46Å; R161-L165 PolarHBondContact O-N 2.87Å
162	C	91.8	Very high	88.1	Confident	53 Å²	53	60.4 Å²	60.4	36%	0.358	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-47.6	176	-71.7	0	0	0	0	110.7	L158 H159 C160 D164 L165 F166 L428	L158-C162 PolarHBondContact O-N 2.96Å; L158-C162 PolarHBondContact O-SG 3.17Å; L158-C162 VanDerWaalsContact O-SG 3.33Å; H159-C162 PolarHBondContact O-N 3.21Å; C160-C162 VanDerWaalsContact C-N 3.34Å; C160-C162 PolarHBondContact O-N 2.95Å; C162-D164 VanDerWaalsContact C-N 3.35Å; C162-D164 PolarHBondContact O-N 3.34Å; C162-L165 WeakPolarHBondContact O-CB 3.38Å; C162-L165 PolarHBondContact O-N 3.1Å; C162-F166 VanDerWaalsContact O-CD2 3.3Å; C162-F166 WeakPolarHBondContact O-CD2 3.48Å; C162-F166 PolarHBondContact O-N 3.1Å; C162-F166 VanDerWaalsContact O-N 3.13Å; C162-L428 HydrophobicContact CB-CD2 4.42Å
163	L	90.4	Very high	87.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-44.5	178.3	178.9	57.5	0	0	0	112.3	H159 C160 L165 F166 I167 A425 L428 A429 H494	H159-L163 WeakPolarHBondContact O-CB 3.46Å; H159-L163 PolarHBondContact O-N 3.34Å; C160-L163 PolarHBondContact O-N 2.94Å; C160-L163 VanDerWaalsContact O-N 3.14Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.99Å; L163-F166 PolarHBondContact O-N 2.97Å; L163-F166 VanDerWaalsContact O-N 3.14Å; L163-I167 HydrophobicContact CD1-CD1 3.82Å; L163-I167 HydrophobicContact CD1-CG1 4.07Å; L163-I167 HydrophobicContact CD2-CD1 4.46Å; L163-I167 HydrophobicContact CG-CD1 3.73Å; L163-I167 HydrophobicContact CG-CG1 4.38Å; L163-I167 WeakPolarHBondContact O-CG1 3.33Å; L163-I167 PolarHBondContact O-N 3.36Å; L163-A425 HydrophobicContact CD1-CB 4.01Å; L163-A425 VanDerWaalsContact CD1-O 3.25Å; L163-A425 WeakPolarHBondContact CD1-O 3.22Å; L163-L428 HydrophobicContact CB-CB 4.38Å; L163-L428 HydrophobicContact CD1-CB 4.09Å; L163-A429 HydrophobicContact CD1-CB 4.24Å; L163-A429 HydrophobicContact CD2-CB 3.7Å; L163-H494 HydrophobicContact CD2-CB 3.92Å; L163-H494 WeakPolarHBondContact CD2-ND1 3.36Å
164	D	88.1	Confident	86.4	Confident	56 Å²	56	58.9 Å²	58.9	30%	0.299	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-39.3	178	-65.4	-27.2	0	0	0	111.6	C160 R161 C162 F166 I167 N168 H494	C160-D164 VanDerWaalsContact O-CG 3.22Å; C160-D164 PolarHBondContact O-N 3.08Å; R161-D164 PolarHBondContact O-N 3.24Å; C162-D164 VanDerWaalsContact C-N 3.35Å; C162-D164 PolarHBondContact O-N 3.34Å; D164-F166 PolarHBondContact O-N 3.43Å; D164-I167 PolarHBondContact O-N 3.34Å; D164-N168 VanDerWaalsContact O-CB 3.26Å; D164-N168 WeakPolarHBondContact O-CB 3.38Å; D164-N168 PolarHBondContact O-N 3.4Å; D164-N168 PolarHBondContact O-ND2 2.86Å; D164-N168 VanDerWaalsContact O-ND2 3.15Å; D164-H494 IonicContact OD1-CE1 3.31Å; D164-H494 PolarHBondContact OD1-CE1 3Å; D164-H494 VanDerWaalsContact OD1-CE1 3.28Å; D164-H494 IonicContact OD1-NE2 3.58Å; D164-H494 PolarHBondContact OD1-NE2 3.44Å
165	L	88.1	Confident	85.4	Confident	122 Å²	122	57.7 Å²	57.7	64%	0.639	29%	0.29	S	S	*	.	H	α-helix	trans	-60.8	-44.2	173.7	-72	170.1	0	0	0	112	R161 C162 L163 Q169	R161-L165 WeakPolarHBondContact O-CG 3.46Å; R161-L165 PolarHBondContact O-N 2.87Å; C162-L165 WeakPolarHBondContact O-CB 3.38Å; C162-L165 PolarHBondContact O-N 3.1Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.99Å; L165-Q169 VanDerWaalsContact O-CB 3.24Å; L165-Q169 WeakPolarHBondContact O-CB 3.38Å; L165-Q169 PolarHBondContact O-N 3.16Å
166	F	85.2	Confident	84.1	Confident	76 Å²	76	55.8 Å²	55.8	33%	0.333	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-40.5	177.9	-86.5	-99	0	0	0	112	C162 L163 D164 A170 V420 H424 A425 L428	C162-F166 VanDerWaalsContact O-CD2 3.3Å; C162-F166 WeakPolarHBondContact O-CD2 3.48Å; C162-F166 PolarHBondContact O-N 3.1Å; C162-F166 VanDerWaalsContact O-N 3.13Å; L163-F166 PolarHBondContact O-N 2.97Å; L163-F166 VanDerWaalsContact O-N 3.14Å; D164-F166 PolarHBondContact O-N 3.43Å; F166-A170 WeakPolarHBondContact O-CB 3.3Å; F166-A170 PolarHBondContact O-N 3.17Å; F166-V420 HydrophobicContact CB-CG1 4.37Å; F166-V420 HydrophobicContact CD1-CG1 4.06Å; F166-V420 HydrophobicContact CD1-CG2 4.3Å; F166-V420 WeakPolarHBondContact O-CG1 3.33Å; F166-H424 HydrophobicContact CD1-CB 3.77Å; F166-H424 HydrophobicContact CE1-CB 3.62Å; F166-A425 HydrophobicContact CB-CB 4.47Å; F166-L428 HydrophobicContact CB-CD1 4.45Å; F166-L428 HydrophobicContact CD1-CD1 4.43Å; F166-L428 HydrophobicContact CD2-CD1 3.35Å; F166-L428 HydrophobicContact CE2-CD1 3.54Å; F166-L428 HydrophobicContact CG-CD1 3.84Å; F166-L428 HydrophobicContact CZ-CD1 4.18Å
167	I	82.1	Confident	82.9	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-48.6	177.2	-71.6	171.9	0	0	0	110.3	L163 D164 Q169 A170 F171 Y495	L163-I167 HydrophobicContact CD1-CD1 3.82Å; L163-I167 HydrophobicContact CD1-CG1 4.07Å; L163-I167 HydrophobicContact CD2-CD1 4.46Å; L163-I167 HydrophobicContact CG-CD1 3.73Å; L163-I167 HydrophobicContact CG-CG1 4.38Å; L163-I167 WeakPolarHBondContact O-CG1 3.33Å; L163-I167 PolarHBondContact O-N 3.36Å; D164-I167 PolarHBondContact O-N 3.34Å; I167-Q169 PolarHBondContact O-N 2.99Å; I167-A170 WeakPolarHBondContact O-CB 3.47Å; I167-A170 PolarHBondContact O-N 3.4Å; I167-A170 VanDerWaalsContact O-N 3.13Å; I167-F171 HydrophobicContact CG2-CD2 3.79Å; I167-F171 HydrophobicContact CG2-CE2 3.25Å; I167-F171 HydrophobicContact CG2-CZ 4.11Å; I167-F171 WeakPolarHBondContact O-CD2 3.46Å; I167-F171 PolarHBondContact O-N 3.05Å; I167-Y495 HydrophobicContact CD1-CE1 3.94Å; I167-Y495 HydrophobicContact CG2-CE1 4.49Å
168	N	82	Confident	81.8	Confident	88 Å²	88	60.1 Å²	60.1	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-43.7	178.1	-70.4	-25.8	0	0	0	112	D164 A170 F171 D172	D164-N168 VanDerWaalsContact O-CB 3.26Å; D164-N168 WeakPolarHBondContact O-CB 3.38Å; D164-N168 PolarHBondContact O-N 3.4Å; D164-N168 PolarHBondContact O-ND2 2.86Å; D164-N168 VanDerWaalsContact O-ND2 3.15Å; N168-A170 VanDerWaalsContact C-N 3.27Å; N168-A170 PolarHBondContact O-N 3.4Å; N168-F171 WeakPolarHBondContact O-CB 3.46Å; N168-F171 PolarHBondContact O-N 3.44Å; N168-F171 VanDerWaalsContact O-N 3.11Å; N168-D172 PolarHBondContact O-N 3.07Å
169	Q	81	Confident	80.5	Confident	103 Å²	103	58.7 Å²	58.7	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-38.8	174.5	-173.3	64.2	43.9	0	0	111.8	L165 I167 F171 D172 M173	L165-Q169 VanDerWaalsContact O-CB 3.24Å; L165-Q169 WeakPolarHBondContact O-CB 3.38Å; L165-Q169 PolarHBondContact O-N 3.16Å; I167-Q169 PolarHBondContact O-N 2.99Å; Q169-F171 VanDerWaalsContact C-N 3.34Å; Q169-D172 PolarHBondContact O-N 3.16Å; Q169-M173 HydrophobicContact CG-SD 3.96Å; Q169-M173 WeakPolarHBondContact O-CB 3.24Å; Q169-M173 WeakPolarHBondContact O-CG 3.47Å; Q169-M173 PolarHBondContact O-N 3.03Å
170	A	76.9	Confident	79.3	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-38.6	175.8	0	0	0	0	0	112.1	F166 I167 N168 Q174 W417 V420	F166-A170 WeakPolarHBondContact O-CB 3.3Å; F166-A170 PolarHBondContact O-N 3.17Å; I167-A170 WeakPolarHBondContact O-CB 3.47Å; I167-A170 PolarHBondContact O-N 3.4Å; I167-A170 VanDerWaalsContact O-N 3.13Å; N168-A170 VanDerWaalsContact C-N 3.27Å; N168-A170 PolarHBondContact O-N 3.4Å; A170-Q174 WeakPolarHBondContact O-CB 3.26Å; A170-Q174 PolarHBondContact O-N 3.49Å; A170-W417 PolarHBondContact O-NE1 3.41Å; A170-V420 HydrophobicContact CB-CG1 3.82Å
171	F	76.4	Confident	78.4	Confident	65 Å²	65	58.2 Å²	58.2	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-47	174.6	-72	-60.4	0	0	0	112.2	I167 N168 Q169 M173 Q174 R175 P596 A598	I167-F171 HydrophobicContact CG2-CD2 3.79Å; I167-F171 HydrophobicContact CG2-CE2 3.25Å; I167-F171 HydrophobicContact CG2-CZ 4.11Å; I167-F171 WeakPolarHBondContact O-CD2 3.46Å; I167-F171 PolarHBondContact O-N 3.05Å; N168-F171 WeakPolarHBondContact O-CB 3.46Å; N168-F171 PolarHBondContact O-N 3.44Å; N168-F171 VanDerWaalsContact O-N 3.11Å; Q169-F171 VanDerWaalsContact C-N 3.34Å; F171-M173 VanDerWaalsContact C-N 3.32Å; F171-M173 PolarHBondContact O-N 3.06Å; F171-Q174 PolarHBondContact O-N 3Å; F171-R175 WeakPolarHBondContact O-CB 3.23Å; F171-R175 PolarHBondContact O-N 3.39Å; F171-P596 HydrophobicContact CE1-CB 3.36Å; F171-P596 HydrophobicContact CE1-CG 4.11Å; F171-P596 HydrophobicContact CZ-CB 3.27Å; F171-P596 HydrophobicContact CZ-CG 3.53Å; F171-A598 HydrophobicContact CD1-CB 3.37Å; F171-A598 HydrophobicContact CE1-CB 3.44Å; F171-A598 VanDerWaalsContact CE1-CB 3.44Å
172	D	75.6	Confident	77.3	Confident	93 Å²	93	59.6 Å²	59.6	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-43.6	179.2	-72.3	-24.2	0	0	0	111.4	N168 Q169 Q174 R175 D176	N168-D172 PolarHBondContact O-N 3.07Å; Q169-D172 PolarHBondContact O-N 3.16Å; D172-Q174 VanDerWaalsContact C-N 3.34Å; D172-Q174 PolarHBondContact O-N 3.44Å; D172-R175 PolarHBondContact O-N 2.88Å; D172-D176 PolarHBondContact O-N 3.4Å
173	M	75.1	Confident	76.1	Confident	13 Å²	13	60.7 Å²	60.7	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-40.2	176.8	-70.3	171	76	0	0	112.2	Q169 F171 D176 L177 T413 L416 W417	Q169-M173 HydrophobicContact CG-SD 3.96Å; Q169-M173 WeakPolarHBondContact O-CB 3.24Å; Q169-M173 WeakPolarHBondContact O-CG 3.47Å; Q169-M173 PolarHBondContact O-N 3.03Å; F171-M173 VanDerWaalsContact C-N 3.32Å; F171-M173 PolarHBondContact O-N 3.06Å; M173-D176 PolarHBondContact O-N 3.33Å; M173-L177 WeakPolarHBondContact O-CG 3.47Å; M173-L177 PolarHBondContact O-N 3.3Å; M173-T413 HydrophobicContact CB-CG2 4.01Å; M173-T413 HydrophobicContact CE-CG2 3.66Å; M173-T413 WeakPolarHBondContact CE-O 3.33Å; M173-T413 HydrophobicContact CG-CG2 4.14Å; M173-L416 HydrophobicContact CE-CB 3.69Å; M173-L416 HydrophobicContact CE-CD2 3.72Å; M173-L416 HydrophobicContact CE-CG 3.78Å; M173-W417 HydrophobicContact CB-CB 4.32Å; M173-W417 HydrophobicContact CB-CG 4.48Å; M173-W417 HydrophobicContact CE-CB 3.82Å
174	Q	73.3	Confident	75.2	Confident	22 Å²	22	61.3 Å²	61.3	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-38.7	176.5	179.2	159.8	5.4	0	0	113.2	A170 F171 D172 D176 L177 Q178 A598	A170-Q174 WeakPolarHBondContact O-CB 3.26Å; A170-Q174 PolarHBondContact O-N 3.49Å; F171-Q174 PolarHBondContact O-N 3Å; D172-Q174 VanDerWaalsContact C-N 3.34Å; D172-Q174 PolarHBondContact O-N 3.44Å; Q174-D176 VanDerWaalsContact C-N 3.27Å; Q174-D176 PolarHBondContact O-N 3.18Å; Q174-L177 WeakPolarHBondContact O-CB 3.29Å; Q174-L177 PolarHBondContact O-N 3.06Å; Q174-Q178 WeakPolarHBondContact O-CG 3.37Å; Q174-Q178 PolarHBondContact O-N 3.46Å; Q174-A598 HydrophobicContact CG-CB 4.34Å; Q174-A598 VanDerWaalsContact NE2-C 3.34Å; Q174-A598 PolarHBondContact NE2-O 3.44Å; Q174-A598 PolarHBondContact OE1-O 3.35Å
175	R	72.1	Confident	74.5	Confident	95 Å²	95	63.7 Å²	63.7	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-43.2	173.3	-174.8	178.1	179.7	-158.2	-2.6	109.9	F171 D172 Q178 I179 S302	F171-R175 WeakPolarHBondContact O-CB 3.23Å; F171-R175 PolarHBondContact O-N 3.39Å; D172-R175 PolarHBondContact O-N 2.88Å; R175-Q178 PolarHBondContact O-N 3.34Å; R175-I179 HydrophobicContact CG-CD1 3.33Å; R175-I179 HydrophobicContact CG-CG1 3.98Å; R175-I179 VanDerWaalsContact NE-CD1 3.31Å; R175-I179 VanDerWaalsContact O-CB 3.3Å; R175-I179 WeakPolarHBondContact O-CB 3.36Å; R175-I179 VanDerWaalsContact O-CG1 3.3Å; R175-I179 WeakPolarHBondContact O-CG1 3.4Å; R175-I179 PolarHBondContact O-N 2.92Å; R175-S302 PolarHBondContact NH1-OG 3.17Å
176	D	69.3	Low	73.6	Confident	31 Å²	31	62.8 Å²	62.8	17%	0.166	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-42.8	174.8	-162.8	21.8	0	0	0	111.8	D172 M173 Q174 Q178 T180 R409	D172-D176 PolarHBondContact O-N 3.4Å; M173-D176 PolarHBondContact O-N 3.33Å; Q174-D176 VanDerWaalsContact C-N 3.27Å; Q174-D176 PolarHBondContact O-N 3.18Å; D176-Q178 VanDerWaalsContact C-N 3.25Å; D176-Q178 PolarHBondContact O-N 3.35Å; D176-T180 VanDerWaalsContact O-CB 3.31Å; D176-T180 WeakPolarHBondContact O-CB 3.34Å; D176-T180 PolarHBondContact O-N 2.86Å; D176-T180 PolarHBondContact O-OG1 2.86Å; D176-T180 PolarHBondContact OD1-OG1 3.31Å; D176-R409 IonicContact OD1-NH2 3.65Å; D176-R409 IonicContact OD2-CZ 2.73Å; D176-R409 IonicContact OD2-NH1 3.16Å; D176-R409 IonicContact OD2-NH2 2.7Å; D176-R409 PolarHBondContact OD2-NH2 2.94Å
177	L	69.3	Low	72.7	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.194	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-31.4	175.5	-76.5	159.8	0	0	0	113.3	M173 Q174 P181 L410 E414 W417	M173-L177 WeakPolarHBondContact O-CG 3.47Å; M173-L177 PolarHBondContact O-N 3.3Å; Q174-L177 WeakPolarHBondContact O-CB 3.29Å; Q174-L177 PolarHBondContact O-N 3.06Å; L177-P181 WeakPolarHBondContact O-CD 3.39Å; L177-P181 WeakPolarHBondContact O-CG 3.39Å; L177-L410 HydrophobicContact CB-CD2 4.47Å; L177-L410 HydrophobicContact CD2-CB 4.29Å; L177-L410 HydrophobicContact CD2-CD2 3.57Å; L177-L410 HydrophobicContact CG-CD2 4.23Å; L177-E414 HydrophobicContact CD1-CB 4.43Å; L177-E414 HydrophobicContact CD2-CB 4.06Å; L177-W417 HydrophobicContact CD1-CB 4.46Å; L177-W417 HydrophobicContact CD1-CG 4.41Å
178	Q	68.5	Low	72.4	Confident	104 Å²	104	64.5 Å²	64.5	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-94.8	-41.2	-178.3	-69.6	-176.4	-8.7	0	0	113.9	Q174 R175 D176	Q174-Q178 WeakPolarHBondContact O-CG 3.37Å; Q174-Q178 PolarHBondContact O-N 3.46Å; R175-Q178 PolarHBondContact O-N 3.34Å; D176-Q178 VanDerWaalsContact C-N 3.25Å; D176-Q178 PolarHBondContact O-N 3.35Å
179	I	67.9	Low	72.1	Confident	43 Å²	43	65.6 Å²	65.6	22%	0.221	30%	0.296	C	S	.	.	H	α-helix	trans	-78.2	-42.4	-172.3	-66.6	-173.3	0	0	0	111	R175 R182 R183	R175-I179 HydrophobicContact CG-CD1 3.33Å; R175-I179 HydrophobicContact CG-CG1 3.98Å; R175-I179 VanDerWaalsContact NE-CD1 3.31Å; R175-I179 VanDerWaalsContact O-CB 3.3Å; R175-I179 WeakPolarHBondContact O-CB 3.36Å; R175-I179 VanDerWaalsContact O-CG1 3.3Å; R175-I179 WeakPolarHBondContact O-CG1 3.4Å; R175-I179 PolarHBondContact O-N 2.92Å; I179-R182 PolarHBondContact O-N 2.93Å; I179-R183 HydrophobicContact CG2-CG 3.97Å; I179-R183 WeakPolarHBondContact O-CG 3.37Å; I179-R183 PolarHBondContact O-N 3.18Å
180	T	68.8	Low	71.5	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-44.6	-172.4	-66.4	0	0	0	0	112.8	D176 R182 R183 L184	D176-T180 VanDerWaalsContact O-CB 3.31Å; D176-T180 WeakPolarHBondContact O-CB 3.34Å; D176-T180 PolarHBondContact O-N 2.86Å; D176-T180 PolarHBondContact O-OG1 2.86Å; D176-T180 PolarHBondContact OD1-OG1 3.31Å; T180-R182 PolarHBondContact O-N 3.44Å; T180-R183 PolarHBondContact O-N 2.66Å; T180-L184 HydrophobicContact CG2-CD1 4.14Å; T180-L184 WeakPolarHBondContact O-CG 2.94Å; T180-L184 PolarHBondContact O-N 3.47Å
181	P	72.1	Confident	71.3	Confident	54 Å²	54	65 Å²	65	35%	0.351	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.9	-24.8	35.1	0	0	0	113.2	L177 R183 L184 E185	L177-P181 WeakPolarHBondContact O-CD 3.39Å; L177-P181 WeakPolarHBondContact O-CG 3.39Å; P181-R183 VanDerWaalsContact C-N 3.3Å; P181-R183 PolarHBondContact O-N 3.44Å; P181-L184 PolarHBondContact O-N 3.01Å; P181-E185 PolarHBondContact O-N 3.39Å
182	R	69.8	Low	71.3	Confident	184 Å²	184	62.7 Å²	62.7	69%	0.694	29%	0.287	S	S	*	.	H	α-helix	trans	-61.9	-37.4	177.5	-71.7	-179	174.5	175.9	-0.2	112.2	I179 T180 Y186	I179-R182 PolarHBondContact O-N 2.93Å; T180-R182 PolarHBondContact O-N 3.44Å; R182-Y186 WeakPolarHBondContact O-CB 3.47Å; R182-Y186 PolarHBondContact O-N 3.12Å
183	R	67.1	Low	71.2	Confident	75 Å²	75	63 Å²	63	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-41.2	175.8	-76.7	-178.5	171.8	165.7	-2.8	112.1	I179 T180 P181 T187 H305	I179-R183 HydrophobicContact CG2-CG 3.97Å; I179-R183 WeakPolarHBondContact O-CG 3.37Å; I179-R183 PolarHBondContact O-N 3.18Å; T180-R183 PolarHBondContact O-N 2.66Å; P181-R183 VanDerWaalsContact C-N 3.3Å; P181-R183 PolarHBondContact O-N 3.44Å; R183-T187 WeakPolarHBondContact O-CB 3.21Å; R183-T187 PolarHBondContact O-N 2.86Å; R183-T187 PolarHBondContact O-OG1 3.27Å; R183-H305 PolarHBondContact NH1-CE1 3.01Å; R183-H305 PolarHBondContact NH1-NE2 3.48Å
184	L	70.9	Confident	71	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-41.7	176.9	-68.4	165.4	0	0	0	110.9	T180 P181 T187 R188 L399 L402 E403	T180-L184 HydrophobicContact CG2-CD1 4.14Å; T180-L184 WeakPolarHBondContact O-CG 2.94Å; T180-L184 PolarHBondContact O-N 3.47Å; P181-L184 PolarHBondContact O-N 3.01Å; L184-T187 PolarHBondContact O-N 3.14Å; L184-R188 PolarHBondContact O-N 2.68Å; L184-L399 HydrophobicContact CD2-CD1 3.8Å; L184-L402 HydrophobicContact CD2-CD2 3.71Å; L184-L402 HydrophobicContact CD2-CG 4.24Å; L184-E403 HydrophobicContact CD1-CG 3.99Å
185	E	74.2	Confident	71.1	Confident	106 Å²	106	64 Å²	64	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-47.8	175.4	-169.5	162	-134.2	0	0	112.3	P181 T187 R188 E189	P181-E185 PolarHBondContact O-N 3.39Å; E185-T187 VanDerWaalsContact C-N 3.31Å; E185-T187 PolarHBondContact O-N 3.39Å; E185-R188 WeakPolarHBondContact O-CB 3.4Å; E185-R188 PolarHBondContact O-N 2.9Å; E185-R188 VanDerWaalsContact O-N 3.14Å; E185-E189 PolarHBondContact O-N 2.85Å
186	Y	67.8	Low	71.5	Confident	104 Å²	104	64.4 Å²	64.4	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-41.9	174.3	179.2	-98.1	0	0	0	112.6	R182 R188 E189 K190 L295	R182-Y186 WeakPolarHBondContact O-CB 3.47Å; R182-Y186 PolarHBondContact O-N 3.12Å; Y186-R188 VanDerWaalsContact C-N 3.32Å; Y186-R188 PolarHBondContact O-N 3.46Å; Y186-E189 PolarHBondContact O-N 3.21Å; Y186-K190 HydrophobicContact CD1-CG 4.16Å; Y186-K190 HydrophobicContact CD2-CG 4.42Å; Y186-K190 HydrophobicContact CE1-CG 3.71Å; Y186-K190 HydrophobicContact CE2-CD 4.34Å; Y186-K190 HydrophobicContact CE2-CG 4.02Å; Y186-K190 HydrophobicContact CG-CG 4.5Å; Y186-K190 WeakPolarHBondContact O-CB 3.38Å; Y186-K190 WeakPolarHBondContact O-CG 3.5Å; Y186-K190 PolarHBondContact O-N 3.23Å; Y186-K190 WeakPolarHBondContact OH-CE 3.31Å; Y186-L295 HydrophobicContact CD1-CD2 4.02Å; Y186-L295 HydrophobicContact CE1-CD2 3.77Å
187	T	66.8	Low	71.8	Confident	21 Å²	21	66.1 Å²	66.1	13%	0.129	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-41	177.6	-58	0	0	0	0	111	R183 L184 E185 E191 F395 L399	R183-T187 WeakPolarHBondContact O-CB 3.21Å; R183-T187 PolarHBondContact O-N 2.86Å; R183-T187 PolarHBondContact O-OG1 3.27Å; L184-T187 PolarHBondContact O-N 3.14Å; E185-T187 VanDerWaalsContact C-N 3.31Å; E185-T187 PolarHBondContact O-N 3.39Å; T187-E191 WeakPolarHBondContact O-CB 3.37Å; T187-E191 PolarHBondContact O-N 3.4Å; T187-F395 HydrophobicContact CG2-CE1 4.5Å; T187-F395 HydrophobicContact CG2-CZ 3.9Å; T187-L399 HydrophobicContact CG2-CD1 4.46Å
188	R	75.7	Confident	71.8	Confident	99 Å²	99	64.9 Å²	64.9	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-47.5	174.4	-175.9	-172.3	-66.9	112.8	-1.4	111.9	L184 E185 Y186 E191 G192 L399 E403	L184-R188 PolarHBondContact O-N 2.68Å; E185-R188 WeakPolarHBondContact O-CB 3.4Å; E185-R188 PolarHBondContact O-N 2.9Å; E185-R188 VanDerWaalsContact O-N 3.14Å; Y186-R188 VanDerWaalsContact C-N 3.32Å; Y186-R188 PolarHBondContact O-N 3.46Å; R188-E191 PolarHBondContact O-N 3.04Å; R188-G192 PolarHBondContact O-N 3.4Å; R188-L399 HydrophobicContact CB-CD2 3.8Å; R188-L399 HydrophobicContact CG-CD2 4.32Å; R188-E403 IonicContact CZ-OE1 2.68Å; R188-E403 IonicContact NH1-OE1 2.84Å; R188-E403 IonicContact NH2-OE1 3.82Å; R188-E403 PolarHBondContact NH2-OE1 3.48Å; R188-E403 IonicContact NH2-OE2 3.49Å; R188-E403 PolarHBondContact NH2-OE2 2.91Å
189	E	76.4	Confident	72.4	Confident	110 Å²	110	61.2 Å²	61.2	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-47.3	179.3	-73.1	-178.9	166.1	0	0	111.3	E185 Y186 E191 G192 E193	E185-E189 PolarHBondContact O-N 2.85Å; Y186-E189 PolarHBondContact O-N 3.21Å; E189-E191 PolarHBondContact O-N 3.44Å; E189-G192 PolarHBondContact O-N 2.89Å; E189-E193 WeakPolarHBondContact O-CG 3.48Å; E189-E193 PolarHBondContact O-N 3.09Å
190	K	67.4	Low	73.1	Confident	62 Å²	62	61.9 Å²	61.9	27%	0.27	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-37.6	-179.8	-69.8	-68.7	152.8	-143.3	0	113	Y186 E193 L194	Y186-K190 HydrophobicContact CD1-CG 4.16Å; Y186-K190 HydrophobicContact CD2-CG 4.42Å; Y186-K190 HydrophobicContact CE1-CG 3.71Å; Y186-K190 HydrophobicContact CE2-CD 4.34Å; Y186-K190 HydrophobicContact CE2-CG 4.02Å; Y186-K190 HydrophobicContact CG-CG 4.5Å; Y186-K190 WeakPolarHBondContact O-CB 3.38Å; Y186-K190 WeakPolarHBondContact O-CG 3.5Å; Y186-K190 PolarHBondContact O-N 3.23Å; Y186-K190 WeakPolarHBondContact OH-CE 3.31Å; K190-E193 IonicContact NZ-OE1 3.92Å; K190-E193 PolarHBondContact NZ-OE1 3.44Å; K190-E193 IonicContact NZ-OE2 2.76Å; K190-E193 PolarHBondContact NZ-OE2 3.36Å; K190-L194 WeakPolarHBondContact O-CB 3.1Å; K190-L194 PolarHBondContact O-N 3.45Å; K190-L194 VanDerWaalsContact O-N 3.11Å
191	E	73.4	Confident	73.4	Confident	30 Å²	30	63.5 Å²	63.5	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-68.5	-40.1	174.2	-172.4	-89.6	171	0	0	112.1	T187 R188 E189 E193 L194 F195 H392 F395	T187-E191 WeakPolarHBondContact O-CB 3.37Å; T187-E191 PolarHBondContact O-N 3.4Å; R188-E191 PolarHBondContact O-N 3.04Å; E189-E191 PolarHBondContact O-N 3.44Å; E191-E193 PolarHBondContact O-N 3.23Å; E191-L194 WeakPolarHBondContact O-CB 3.33Å; E191-L194 PolarHBondContact O-N 3.36Å; E191-F195 WeakPolarHBondContact O-CB 3.43Å; E191-F195 PolarHBondContact O-N 3.03Å; E191-H392 VanDerWaalsContact CD-ND1 3.26Å; E191-H392 IonicContact OE1-CE1 3.31Å; E191-H392 IonicContact OE1-CG 3.15Å; E191-H392 IonicContact OE1-ND1 2.64Å; E191-H392 PolarHBondContact OE1-ND1 3.34Å; E191-H392 IonicContact OE2-CE1 3.7Å; E191-H392 PolarHBondContact OE2-CE1 3.39Å; E191-H392 IonicContact OE2-ND1 3.78Å; E191-H392 PolarHBondContact OE2-ND1 3.49Å; E191-F395 HydrophobicContact CB-CD1 3.96Å; E191-F395 HydrophobicContact CB-CE1 3.42Å; E191-F395 VanDerWaalsContact CB-CE1 3.42Å; E191-F395 HydrophobicContact CB-CE2 4.38Å; E191-F395 HydrophobicContact CB-CZ 3.67Å; E191-F395 HydrophobicContact CG-CD1 3.41Å; E191-F395 VanDerWaalsContact CG-CD1 3.41Å; E191-F395 HydrophobicContact CG-CD2 4Å; E191-F395 HydrophobicContact CG-CE1 3.41Å; E191-F395 VanDerWaalsContact CG-CE1 3.41Å; E191-F395 HydrophobicContact CG-CE2 3.99Å; E191-F395 HydrophobicContact CG-CG 3.74Å; E191-F395 HydrophobicContact CG-CZ 3.71Å
192	G	76.8	Confident	73.4	Confident	18 Å²	18	61 Å²	61	19%	0.186	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.1	0	0	0	0	0	113	R188 E189 L194 F195 N196	R188-G192 PolarHBondContact O-N 3.4Å; E189-G192 PolarHBondContact O-N 2.89Å; G192-L194 VanDerWaalsContact C-N 3.32Å; G192-L194 PolarHBondContact O-N 3.24Å; G192-F195 PolarHBondContact O-N 2.68Å; G192-N196 WeakPolarHBondContact O-CB 3.43Å; G192-N196 VanDerWaalsContact O-CG 3.29Å; G192-N196 PolarHBondContact O-N 2.84Å; G192-N196 PolarHBondContact O-ND2 2.89Å; G192-N196 VanDerWaalsContact O-ND2 3.09Å
193	E	73.8	Confident	74	Confident	99 Å²	99	56 Å²	56	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-58.4	-43.8	172.6	-75.4	174.6	-167.3	0	0	111.8	E189 K190 E191 S197	E189-E193 WeakPolarHBondContact O-CG 3.48Å; E189-E193 PolarHBondContact O-N 3.09Å; K190-E193 IonicContact NZ-OE1 3.92Å; K190-E193 PolarHBondContact NZ-OE1 3.44Å; K190-E193 IonicContact NZ-OE2 2.76Å; K190-E193 PolarHBondContact NZ-OE2 3.36Å; E191-E193 PolarHBondContact O-N 3.23Å; E193-S197 WeakPolarHBondContact O-CB 3.33Å; E193-S197 PolarHBondContact O-N 3.42Å; E193-S197 PolarHBondContact O-OG 2.91Å
194	L	69.5	Low	74.6	Confident	22 Å²	22	59.1 Å²	59.1	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-49.3	178.2	178.3	63.4	0	0	0	111.2	K190 E191 G192 N196 S197 L198 T287 L288	K190-L194 WeakPolarHBondContact O-CB 3.1Å; K190-L194 PolarHBondContact O-N 3.45Å; K190-L194 VanDerWaalsContact O-N 3.11Å; E191-L194 WeakPolarHBondContact O-CB 3.33Å; E191-L194 PolarHBondContact O-N 3.36Å; G192-L194 VanDerWaalsContact C-N 3.32Å; G192-L194 PolarHBondContact O-N 3.24Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.28Å; L194-S197 WeakPolarHBondContact O-CB 3.27Å; L194-S197 PolarHBondContact O-N 3.39Å; L194-L198 HydrophobicContact CD1-CD1 3.92Å; L194-L198 HydrophobicContact CD1-CG 4.16Å; L194-L198 HydrophobicContact CG-CD1 3.83Å; L194-L198 HydrophobicContact CG-CG 4.47Å; L194-L198 VanDerWaalsContact O-CG 3.25Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.2Å; L194-T287 HydrophobicContact CD1-CG2 3.77Å; L194-L288 HydrophobicContact CD2-CD1 3.44Å; L194-L288 VanDerWaalsContact CD2-CD1 3.44Å
195	F	75.6	Confident	74.8	Confident	33 Å²	33	59.6 Å²	59.6	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-55.8	-47.8	177.6	171.4	-102.2	0	0	0	111.7	E191 G192 S197 L198 M199 L388 N389 H392	E191-F195 WeakPolarHBondContact O-CB 3.43Å; E191-F195 PolarHBondContact O-N 3.03Å; G192-F195 PolarHBondContact O-N 2.68Å; F195-S197 VanDerWaalsContact C-N 3.34Å; F195-S197 PolarHBondContact O-N 2.83Å; F195-L198 PolarHBondContact O-N 3.34Å; F195-M199 HydrophobicContact CD2-CE 4.35Å; F195-M199 HydrophobicContact CE1-CE 4.46Å; F195-M199 HydrophobicContact CE2-CE 3.47Å; F195-M199 VanDerWaalsContact CE2-CE 3.47Å; F195-M199 HydrophobicContact CZ-CE 3.55Å; F195-M199 WeakPolarHBondContact O-CB 3.46Å; F195-M199 PolarHBondContact O-N 3.31Å; F195-L388 HydrophobicContact CE2-CB 4.4Å; F195-N389 WeakPolarHBondContact CE2-OD1 3.41Å; F195-N389 VanDerWaalsContact CZ-OD1 3.22Å; F195-N389 WeakPolarHBondContact CZ-OD1 3.47Å; F195-H392 HydrophobicContact CD2-CB 3.51Å; F195-H392 AromaticContact CD2-CG 3.73Å; F195-H392 HydrophobicContact CE2-CB 3.67Å; F195-H392 AromaticContact CE2-CG 3.98Å; F195-H392 HydrophobicContact CG-CB 4.15Å; F195-H392 AromaticContact CG-CG 3.86Å; F195-H392 AromaticContact CG-ND1 3.82Å; F195-H392 HydrophobicContact CZ-CB 4.43Å
196	N	81.3	Confident	75.1	Confident	104 Å²	104	56.2 Å²	56.2	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-61.2	-42.5	178.1	-73.9	-34.2	0	0	0	112.2	G192 L194 L198 M199 A200	G192-N196 WeakPolarHBondContact O-CB 3.43Å; G192-N196 VanDerWaalsContact O-CG 3.29Å; G192-N196 PolarHBondContact O-N 2.84Å; G192-N196 PolarHBondContact O-ND2 2.89Å; G192-N196 VanDerWaalsContact O-ND2 3.09Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.28Å; N196-L198 PolarHBondContact O-N 3.29Å; N196-M199 PolarHBondContact O-N 3.46Å; N196-A200 PolarHBondContact O-N 2.98Å
197	S	74	Confident	75.7	Confident	67 Å²	67	55.2 Å²	55.2	47%	0.469	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-44.7	178	-60.9	0	0	0	0	111.5	E193 L194 F195 A200 I201	E193-S197 WeakPolarHBondContact O-CB 3.33Å; E193-S197 PolarHBondContact O-N 3.42Å; E193-S197 PolarHBondContact O-OG 2.91Å; L194-S197 WeakPolarHBondContact O-CB 3.27Å; L194-S197 PolarHBondContact O-N 3.39Å; F195-S197 VanDerWaalsContact C-N 3.34Å; F195-S197 PolarHBondContact O-N 2.83Å; S197-A200 WeakPolarHBondContact O-CB 3.2Å; S197-A200 PolarHBondContact O-N 3.34Å; S197-I201 WeakPolarHBondContact O-CG1 3.46Å; S197-I201 PolarHBondContact O-N 3Å
198	L	71.3	Confident	76.4	Confident	11 Å²	11	57.7 Å²	57.7	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-37.3	179.6	-66.1	167.2	0	0	0	112.6	L194 F195 N196 A200 I201 A202 F284 L388	L194-L198 HydrophobicContact CD1-CD1 3.92Å; L194-L198 HydrophobicContact CD1-CG 4.16Å; L194-L198 HydrophobicContact CG-CD1 3.83Å; L194-L198 HydrophobicContact CG-CG 4.47Å; L194-L198 VanDerWaalsContact O-CG 3.25Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.2Å; F195-L198 PolarHBondContact O-N 3.34Å; N196-L198 PolarHBondContact O-N 3.29Å; L198-A200 VanDerWaalsContact C-N 3.3Å; L198-A200 PolarHBondContact O-N 3.43Å; L198-I201 HydrophobicContact CD2-CD1 4.34Å; L198-I201 PolarHBondContact O-N 3.35Å; L198-A202 WeakPolarHBondContact O-CB 3.31Å; L198-A202 PolarHBondContact O-N 3.06Å; L198-F284 HydrophobicContact CD1-CD2 3.25Å; L198-F284 HydrophobicContact CD1-CE2 3.31Å; L198-F284 HydrophobicContact CD2-CB 4.13Å; L198-F284 HydrophobicContact CD2-CD2 3.56Å; L198-F284 HydrophobicContact CD2-CE2 4.49Å; L198-F284 HydrophobicContact CD2-CG 4.34Å; L198-F284 HydrophobicContact CG-CD2 3.97Å; L198-F284 HydrophobicContact CG-CE2 4.46Å; L198-L388 HydrophobicContact CB-CD1 4.24Å; L198-L388 HydrophobicContact CB-CD2 4.03Å; L198-L388 HydrophobicContact CD1-CD2 4Å
199	M	80.1	Confident	76.4	Confident	28 Å²	28	53.2 Å²	53.2	14%	0.138	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-38.8	174.6	-161.1	57.4	61.3	0	0	111.2	F195 N196 A202 N203 R385 L388 N389	F195-M199 HydrophobicContact CD2-CE 4.35Å; F195-M199 HydrophobicContact CE1-CE 4.46Å; F195-M199 HydrophobicContact CE2-CE 3.47Å; F195-M199 VanDerWaalsContact CE2-CE 3.47Å; F195-M199 HydrophobicContact CZ-CE 3.55Å; F195-M199 WeakPolarHBondContact O-CB 3.46Å; F195-M199 PolarHBondContact O-N 3.31Å; N196-M199 PolarHBondContact O-N 3.46Å; M199-A202 PolarHBondContact O-N 3.26Å; M199-N203 WeakPolarHBondContact O-CB 3.46Å; M199-N203 VanDerWaalsContact O-CG 3.23Å; M199-N203 PolarHBondContact O-N 3.27Å; M199-N203 PolarHBondContact O-ND2 2.82Å; M199-N203 VanDerWaalsContact O-ND2 3.15Å; M199-R385 HydrophobicContact SD-CB 4.06Å; M199-R385 HydrophobicContact SD-CG 3.56Å; M199-R385 VanDerWaalsContact SD-CG 3.56Å; M199-L388 HydrophobicContact CE-CB 3.78Å; M199-L388 HydrophobicContact CE-CD1 4.03Å; M199-N389 VanDerWaalsContact CE-OD1 3.31Å; M199-N389 WeakPolarHBondContact CE-OD1 3.26Å
200	A	81.7	Confident	76.7	Confident	57 Å²	57	51.2 Å²	51.2	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-43.6	173.6	0	0	0	0	0	112.2	N196 S197 L198 N203 R204	N196-A200 PolarHBondContact O-N 2.98Å; S197-A200 WeakPolarHBondContact O-CB 3.2Å; S197-A200 PolarHBondContact O-N 3.34Å; L198-A200 VanDerWaalsContact C-N 3.3Å; L198-A200 PolarHBondContact O-N 3.43Å; A200-N203 PolarHBondContact O-N 3.02Å; A200-R204 PolarHBondContact O-N 3.06Å
201	I	75	Confident	77.5	Confident	37 Å²	37	54.2 Å²	54.2	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.1	-61.3	165.3	0	0	0	110.5	S197 L198 N203 R204 K205 L280	S197-I201 WeakPolarHBondContact O-CG1 3.46Å; S197-I201 PolarHBondContact O-N 3Å; L198-I201 HydrophobicContact CD2-CD1 4.34Å; L198-I201 PolarHBondContact O-N 3.35Å; I201-N203 VanDerWaalsContact C-N 3.33Å; I201-N203 PolarHBondContact O-N 3.17Å; I201-R204 PolarHBondContact O-N 3.16Å; I201-K205 HydrophobicContact CG2-CG 4.27Å; I201-K205 WeakPolarHBondContact O-CB 3.29Å; I201-K205 WeakPolarHBondContact O-CG 3.47Å; I201-K205 PolarHBondContact O-N 3.32Å; I201-L280 HydrophobicContact CB-CD2 4.5Å; I201-L280 HydrophobicContact CG2-CD2 3.48Å; I201-L280 VanDerWaalsContact CG2-CD2 3.48Å
202	A	73	Confident	78	Confident	1 Å²	1	54 Å²	54	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-44.6	176.7	0	0	0	0	0	112.2	L198 M199 K205 Q206 F384 R385 L388	L198-A202 WeakPolarHBondContact O-CB 3.31Å; L198-A202 PolarHBondContact O-N 3.06Å; M199-A202 PolarHBondContact O-N 3.26Å; A202-K205 PolarHBondContact O-N 3.13Å; A202-Q206 PolarHBondContact O-N 2.93Å; A202-F384 HydrophobicContact CB-CD1 3.55Å; A202-F384 HydrophobicContact CB-CE1 3.75Å; A202-R385 HydrophobicContact CB-CG 4.28Å; A202-L388 HydrophobicContact CB-CD1 4.39Å
203	N	81.4	Confident	78.1	Confident	78 Å²	78	53.1 Å²	53.1	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-42.7	178	-72.1	-29.5	0	0	0	111.8	M199 A200 I201 Q206	M199-N203 WeakPolarHBondContact O-CB 3.46Å; M199-N203 VanDerWaalsContact O-CG 3.23Å; M199-N203 PolarHBondContact O-N 3.27Å; M199-N203 PolarHBondContact O-ND2 2.82Å; M199-N203 VanDerWaalsContact O-ND2 3.15Å; A200-N203 PolarHBondContact O-N 3.02Å; I201-N203 VanDerWaalsContact C-N 3.33Å; I201-N203 PolarHBondContact O-N 3.17Å; N203-Q206 WeakPolarHBondContact O-CB 3.47Å; N203-Q206 PolarHBondContact O-N 3.31Å
204	R	81.6	Confident	78.6	Confident	141 Å²	141	52.2 Å²	52.2	53%	0.532	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-45.9	176.1	-170.2	178.5	75.2	-155.8	-2.9	111.5	A200 I201 Q206 E207 E208	A200-R204 PolarHBondContact O-N 3.06Å; I201-R204 PolarHBondContact O-N 3.16Å; R204-Q206 PolarHBondContact O-N 3.28Å; R204-E207 PolarHBondContact O-N 2.87Å; R204-E207 VanDerWaalsContact O-N 3.12Å; R204-E208 IonicContact NE-OE1 2.78Å; R204-E208 PolarHBondContact NE-OE1 3.31Å; R204-E208 PolarHBondContact O-N 2.88Å
205	K	74.4	Confident	79.3	Confident	23 Å²	23	57.5 Å²	57.5	10%	0.1	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-25	180	-73.7	-74	177	-170.5	0	113.2	I201 A202 E207 E208 M209 L280	I201-K205 HydrophobicContact CG2-CG 4.27Å; I201-K205 WeakPolarHBondContact O-CB 3.29Å; I201-K205 WeakPolarHBondContact O-CG 3.47Å; I201-K205 PolarHBondContact O-N 3.32Å; A202-K205 PolarHBondContact O-N 3.13Å; K205-E207 VanDerWaalsContact C-N 3.3Å; K205-E207 PolarHBondContact O-N 2.95Å; K205-E208 VanDerWaalsContact CD-OE2 3.29Å; K205-E208 WeakPolarHBondContact CD-OE2 3.45Å; K205-E208 WeakPolarHBondContact CE-OE2 3.34Å; K205-E208 IonicContact NZ-OE1 2.66Å; K205-E208 IonicContact NZ-OE2 2.66Å; K205-E208 PolarHBondContact NZ-OE2 3.3Å; K205-E208 PolarHBondContact O-N 3.34Å; K205-M209 HydrophobicContact CB-CE 4.35Å; K205-M209 WeakPolarHBondContact O-CB 3.42Å; K205-M209 VanDerWaalsContact O-CG 3.23Å; K205-M209 WeakPolarHBondContact O-CG 3.45Å; K205-M209 PolarHBondContact O-N 2.99Å; K205-L280 HydrophobicContact CB-CD1 4.01Å; K205-L280 HydrophobicContact CB-CD2 4.5Å; K205-L280 HydrophobicContact CG-CD1 3.99Å; K205-L280 HydrophobicContact CG-CD2 3.94Å; K205-L280 HydrophobicContact CG-CG 4Å
206	Q	79.9	Confident	79.6	Confident	36 Å²	36	56 Å²	56	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-41.3	171.4	-170	-177	-83.6	0	0	112.3	A202 N203 R204 K210 A377 C381	A202-Q206 PolarHBondContact O-N 2.93Å; N203-Q206 WeakPolarHBondContact O-CB 3.47Å; N203-Q206 PolarHBondContact O-N 3.31Å; R204-Q206 PolarHBondContact O-N 3.28Å; Q206-K210 WeakPolarHBondContact O-CB 3.31Å; Q206-K210 PolarHBondContact O-N 3.36Å; Q206-A377 HydrophobicContact CG-CB 4.46Å; Q206-C381 WeakPolarHBondContact CA-SG 3.48Å; Q206-C381 HydrophobicContact CB-CB 3.75Å; Q206-C381 WeakPolarHBondContact CB-SG 3.34Å; Q206-C381 HydrophobicContact CG-CB 3.64Å
207	E	81.7	Confident	79.6	Confident	82 Å²	82	52 Å²	52	38%	0.383	26%	0.263	S	S	.	.	H	α-helix	trans	-72.4	-42.4	179.3	-157.7	61.6	-157.7	0	0	110.7	R204 K205 M209 K210 E211	R204-E207 PolarHBondContact O-N 2.87Å; R204-E207 VanDerWaalsContact O-N 3.12Å; K205-E207 VanDerWaalsContact C-N 3.3Å; K205-E207 PolarHBondContact O-N 2.95Å; E207-M209 VanDerWaalsContact C-N 3.34Å; E207-M209 PolarHBondContact O-N 2.92Å; E207-K210 WeakPolarHBondContact O-CB 3.25Å; E207-K210 PolarHBondContact O-N 3.11Å; E207-K210 VanDerWaalsContact O-N 3.14Å; E207-K210 IonicContact OE1-NZ 3.81Å; E207-K210 PolarHBondContact OE1-NZ 2.87Å; E207-K210 IonicContact OE2-NZ 3.39Å; E207-E211 PolarHBondContact O-N 2.84Å
208	E	81.1	Confident	80.1	Confident	73 Å²	73	51.3 Å²	51.3	34%	0.341	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-42.3	174	-64.5	176.9	-145.2	0	0	112	R204 K205 E211 M212	R204-E208 IonicContact NE-OE1 2.78Å; R204-E208 PolarHBondContact NE-OE1 3.31Å; R204-E208 PolarHBondContact O-N 2.88Å; K205-E208 VanDerWaalsContact CD-OE2 3.29Å; K205-E208 WeakPolarHBondContact CD-OE2 3.45Å; K205-E208 WeakPolarHBondContact CE-OE2 3.34Å; K205-E208 IonicContact NZ-OE1 2.66Å; K205-E208 IonicContact NZ-OE2 2.66Å; K205-E208 PolarHBondContact NZ-OE2 3.3Å; K205-E208 PolarHBondContact O-N 3.34Å; E208-E211 PolarHBondContact O-N 3.03Å; E208-M212 WeakPolarHBondContact O-CB 3.36Å; E208-M212 PolarHBondContact O-N 3.28Å
209	M	76.1	Confident	80.7	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-38.8	175.7	-74.2	180	-159.5	0	0	112	K205 E207 M212 I213 L273 V277 L280 A377 I380	K205-M209 HydrophobicContact CB-CE 4.35Å; K205-M209 WeakPolarHBondContact O-CB 3.42Å; K205-M209 VanDerWaalsContact O-CG 3.23Å; K205-M209 WeakPolarHBondContact O-CG 3.45Å; K205-M209 PolarHBondContact O-N 2.99Å; E207-M209 VanDerWaalsContact C-N 3.34Å; E207-M209 PolarHBondContact O-N 2.92Å; M209-M212 PolarHBondContact O-N 2.92Å; M209-I213 WeakPolarHBondContact O-CB 3.47Å; M209-I213 WeakPolarHBondContact O-CD1 3.48Å; M209-I213 WeakPolarHBondContact O-CG1 3.37Å; M209-I213 PolarHBondContact O-N 3.26Å; M209-L273 HydrophobicContact CE-CD2 4.41Å; M209-L273 HydrophobicContact SD-CD2 3.84Å; M209-V277 HydrophobicContact CE-CG2 4.49Å; M209-L280 HydrophobicContact CE-CD1 3.9Å; M209-A377 HydrophobicContact CB-CB 4.48Å; M209-I380 HydrophobicContact SD-CG2 4.12Å
210	K	82.3	Confident	81	Confident	67 Å²	67	54.8 Å²	54.8	29%	0.291	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-47.2	176.2	174.7	-173.1	155.6	-153.4	0	110.5	Q206 E207 I213 V214 A374 A377	Q206-K210 WeakPolarHBondContact O-CB 3.31Å; Q206-K210 PolarHBondContact O-N 3.36Å; E207-K210 WeakPolarHBondContact O-CB 3.25Å; E207-K210 PolarHBondContact O-N 3.11Å; E207-K210 VanDerWaalsContact O-N 3.14Å; E207-K210 IonicContact OE1-NZ 3.81Å; E207-K210 PolarHBondContact OE1-NZ 2.87Å; E207-K210 IonicContact OE2-NZ 3.39Å; K210-I213 PolarHBondContact O-N 3.11Å; K210-V214 WeakPolarHBondContact O-CG2 3.47Å; K210-V214 PolarHBondContact O-N 3.45Å; K210-A374 HydrophobicContact CD-CB 4.24Å; K210-A377 HydrophobicContact CB-CB 3.68Å
211	E	84.1	Confident	81.1	Confident	125 Å²	125	55.3 Å²	55.3	58%	0.584	28%	0.284	S	S	*	.	H	α-helix	trans	-60.4	-46.3	176.5	-71.7	-179.1	171.5	0	0	111.5	E207 E208 I213 V214 E215	E207-E211 PolarHBondContact O-N 2.84Å; E208-E211 PolarHBondContact O-N 3.03Å; E211-I213 VanDerWaalsContact C-N 3.33Å; E211-I213 PolarHBondContact O-N 3.43Å; E211-V214 PolarHBondContact O-N 3.19Å; E211-V214 VanDerWaalsContact O-N 3.16Å; E211-E215 WeakPolarHBondContact O-CB 3.46Å; E211-E215 PolarHBondContact O-N 3.4Å
212	M	83.6	Confident	81.6	Confident	26 Å²	26	60.3 Å²	60.3	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-39.2	177.2	177.4	-89	-71.1	0	0	112.9	E208 M209 T216 K272 L273	E208-M212 WeakPolarHBondContact O-CB 3.36Å; E208-M212 PolarHBondContact O-N 3.28Å; M209-M212 PolarHBondContact O-N 2.92Å; M212-T216 VanDerWaalsContact O-CB 3.29Å; M212-T216 WeakPolarHBondContact O-CB 3.13Å; M212-T216 PolarHBondContact O-N 3.49Å; M212-T216 PolarHBondContact O-OG1 3.28Å; M212-K272 HydrophobicContact CE-CB 4.08Å; M212-K272 HydrophobicContact CG-CB 4.17Å; M212-K272 HydrophobicContact CG-CD 4.01Å; M212-K272 HydrophobicContact SD-CB 3.58Å; M212-K272 VanDerWaalsContact SD-CB 3.58Å; M212-K272 HydrophobicContact SD-CD 3.97Å; M212-K272 HydrophobicContact SD-CG 4.45Å; M212-L273 HydrophobicContact CE-CB 4.41Å; M212-L273 HydrophobicContact CE-CD1 3.89Å; M212-L273 HydrophobicContact CE-CG 3.8Å
213	I	78.2	Confident	82.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-42.3	176.3	-67.8	160	0	0	0	110.5	M209 K210 E211 T216 L217 V269 A373 L376 A377	M209-I213 WeakPolarHBondContact O-CB 3.47Å; M209-I213 WeakPolarHBondContact O-CD1 3.48Å; M209-I213 WeakPolarHBondContact O-CG1 3.37Å; M209-I213 PolarHBondContact O-N 3.26Å; K210-I213 PolarHBondContact O-N 3.11Å; E211-I213 VanDerWaalsContact C-N 3.33Å; E211-I213 PolarHBondContact O-N 3.43Å; I213-T216 PolarHBondContact O-N 2.97Å; I213-L217 HydrophobicContact CG2-CD1 3.74Å; I213-L217 HydrophobicContact CG2-CG 4.39Å; I213-L217 VanDerWaalsContact O-CB 3.32Å; I213-L217 WeakPolarHBondContact O-CB 3.43Å; I213-L217 WeakPolarHBondContact O-CD1 3.49Å; I213-L217 VanDerWaalsContact O-CG 3.32Å; I213-L217 WeakPolarHBondContact O-CG 3.47Å; I213-L217 PolarHBondContact O-N 3.48Å; I213-V269 HydrophobicContact CG1-CG1 4.12Å; I213-A373 HydrophobicContact CB-CB 4.14Å; I213-A373 HydrophobicContact CG2-CB 3.64Å; I213-L376 HydrophobicContact CD1-CB 4.25Å; I213-L376 HydrophobicContact CD1-CD2 3.93Å; I213-L376 HydrophobicContact CD1-CG 4.07Å; I213-L376 HydrophobicContact CG1-CD2 4.4Å; I213-L376 HydrophobicContact CG2-CD2 4.14Å; I213-A377 HydrophobicContact CD1-CB 4.18Å
214	V	83.9	Confident	82.5	Confident	80 Å²	80	61.9 Å²	61.9	49%	0.485	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-47.1	176.1	170.7	0	0	0	0	110.9	K210 E211 L217 G218 A373	K210-V214 WeakPolarHBondContact O-CG2 3.47Å; K210-V214 PolarHBondContact O-N 3.45Å; E211-V214 PolarHBondContact O-N 3.19Å; E211-V214 VanDerWaalsContact O-N 3.16Å; V214-L217 PolarHBondContact O-N 2.89Å; V214-G218 PolarHBondContact O-N 2.81Å; V214-A373 HydrophobicContact CG2-CB 3.41Å; V214-A373 VanDerWaalsContact CG2-CB 3.41Å
215	E	84.6	Confident	82.7	Confident	133 Å²	133	55.5 Å²	55.5	62%	0.621	29%	0.288	S	S	*	.	H	α-helix	trans	-62.4	-44.5	178.9	-171.8	-172.9	-168.7	0	0	111.4	E211 G218 S219	E211-E215 WeakPolarHBondContact O-CB 3.46Å; E211-E215 PolarHBondContact O-N 3.4Å; E215-G218 PolarHBondContact O-N 3.06Å; E215-S219 PolarHBondContact O-N 3.32Å; E215-S219 PolarHBondContact O-OG 2.99Å
216	T	83	Confident	83.3	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-45.1	179.4	-55.1	0	0	0	0	111.2	M212 I213 G218 S219 M220 A268 V269 K272	M212-T216 VanDerWaalsContact O-CB 3.29Å; M212-T216 WeakPolarHBondContact O-CB 3.13Å; M212-T216 PolarHBondContact O-N 3.49Å; M212-T216 PolarHBondContact O-OG1 3.28Å; I213-T216 PolarHBondContact O-N 2.97Å; T216-G218 VanDerWaalsContact C-N 3.33Å; T216-G218 PolarHBondContact O-N 2.9Å; T216-S219 PolarHBondContact O-N 3.4Å; T216-S219 PolarHBondContact O-OG 3.49Å; T216-M220 HydrophobicContact CG2-SD 3.89Å; T216-M220 WeakPolarHBondContact O-CB 3.39Å; T216-M220 WeakPolarHBondContact O-CG 3.41Å; T216-M220 PolarHBondContact O-N 3.15Å; T216-A268 HydrophobicContact CG2-CB 4.03Å; T216-V269 HydrophobicContact CG2-CG2 4.24Å; T216-K272 WeakPolarHBondContact OG1-CD 3Å; T216-K272 PolarHBondContact OG1-NZ 3.49Å
217	L	81	Confident	83.6	Confident	18 Å²	18	60 Å²	60	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-43.9	173.1	-80.3	163.7	0	0	0	111.9	I213 V214 M220 K221 L265 I368 L371 A373	I213-L217 HydrophobicContact CG2-CD1 3.74Å; I213-L217 HydrophobicContact CG2-CG 4.39Å; I213-L217 VanDerWaalsContact O-CB 3.32Å; I213-L217 WeakPolarHBondContact O-CB 3.43Å; I213-L217 WeakPolarHBondContact O-CD1 3.49Å; I213-L217 VanDerWaalsContact O-CG 3.32Å; I213-L217 WeakPolarHBondContact O-CG 3.47Å; I213-L217 PolarHBondContact O-N 3.48Å; V214-L217 PolarHBondContact O-N 2.89Å; L217-M220 PolarHBondContact O-N 2.9Å; L217-K221 WeakPolarHBondContact O-CB 3.43Å; L217-K221 PolarHBondContact O-N 2.95Å; L217-L265 HydrophobicContact CD2-CD1 4.13Å; L217-L265 HydrophobicContact CD2-CD2 3.41Å; L217-L265 VanDerWaalsContact CD2-CD2 3.41Å; L217-L265 HydrophobicContact CD2-CG 4.36Å; L217-L265 HydrophobicContact CG-CD2 4.07Å; L217-I368 HydrophobicContact CD2-CG2 4.2Å; L217-L371 HydrophobicContact CD1-CD2 4.37Å; L217-L371 HydrophobicContact CD2-CD2 4.07Å; L217-A373 HydrophobicContact CD1-CB 4.32Å
218	G	83.6	Confident	83.8	Confident	54 Å²	54	56 Å²	56	56%	0.557	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-44.8	177.6	0	0	0	0	0	112.6	V214 E215 T216 M220	V214-G218 PolarHBondContact O-N 2.81Å; E215-G218 PolarHBondContact O-N 3.06Å; T216-G218 VanDerWaalsContact C-N 3.33Å; T216-G218 PolarHBondContact O-N 2.9Å; G218-M220 PolarHBondContact O-N 3.02Å
219	S	85.3	Confident	84	Confident	85 Å²	85	52.9 Å²	52.9	59%	0.594	28%	0.278	S	S	*	.	H	α-helix	trans	-68.1	-32.7	-179.8	69.9	0	0	0	0	113.7	E215 T216	E215-S219 PolarHBondContact O-N 3.32Å; E215-S219 PolarHBondContact O-OG 2.99Å; T216-S219 PolarHBondContact O-N 3.4Å; T216-S219 PolarHBondContact O-OG 3.49Å
220	M	84.7	Confident	84.5	Confident	27 Å²	27	58 Å²	58	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-93.3	-10.8	-176.5	-65.4	-177.4	74.1	0	0	113.5	T216 L217 G218 E222 Q223 L224 R264 A268	T216-M220 HydrophobicContact CG2-SD 3.89Å; T216-M220 WeakPolarHBondContact O-CB 3.39Å; T216-M220 WeakPolarHBondContact O-CG 3.41Å; T216-M220 PolarHBondContact O-N 3.15Å; L217-M220 PolarHBondContact O-N 2.9Å; G218-M220 PolarHBondContact O-N 3.02Å; M220-E222 PolarHBondContact O-N 3.29Å; M220-Q223 PolarHBondContact O-N 3.11Å; M220-L224 HydrophobicContact CB-CD1 3.98Å; M220-L224 HydrophobicContact CB-CG 4.26Å; M220-L224 WeakPolarHBondContact O-CB 3.48Å; M220-L224 WeakPolarHBondContact O-CG 3.47Å; M220-L224 PolarHBondContact O-N 3.5Å; M220-R264 HydrophobicContact CE-CB 4.37Å; M220-A268 HydrophobicContact CE-CB 3.8Å; M220-A268 HydrophobicContact SD-CB 3.25Å; M220-A268 WeakPolarHBondContact SD-CB 3.38Å
221	K	84.3	Confident	84.6	Confident	68 Å²	68	56.7 Å²	56.7	30%	0.296	30%	0.302	S	S	.	.	H	α-helix	trans	-52.7	-56.5	-171.4	-174	177	-179.2	177	0	112	L217 Q223 L224 L225 E369	L217-K221 WeakPolarHBondContact O-CB 3.43Å; L217-K221 PolarHBondContact O-N 2.95Å; K221-Q223 PolarHBondContact O-N 3.19Å; K221-L224 PolarHBondContact O-N 2.82Å; K221-L225 HydrophobicContact CG-CD1 4.17Å; K221-L225 WeakPolarHBondContact O-CG 3.33Å; K221-L225 PolarHBondContact O-N 3.32Å; K221-E369 IonicContact NZ-OE1 2.79Å
222	E	86	Confident	84.3	Confident	141 Å²	141	58.7 Å²	58.7	66%	0.659	31%	0.311	S	S	*	.	H	α-helix	trans	-61.7	-42.2	-178.8	-74.4	-60.6	145.5	0	0	112.3	M220 L224 L225 E226	M220-E222 PolarHBondContact O-N 3.29Å; E222-L224 PolarHBondContact O-N 2.92Å; E222-L225 WeakPolarHBondContact O-CB 3.34Å; E222-L225 PolarHBondContact O-N 3.38Å; E222-E226 PolarHBondContact O-N 2.98Å
223	Q	87.1	Confident	84	Confident	108 Å²	108	58.7 Å²	58.7	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-39.9	179.8	-168.8	174.6	15.3	0	0	112.4	M220 K221 E226 D227	M220-Q223 PolarHBondContact O-N 3.11Å; K221-Q223 PolarHBondContact O-N 3.19Å; Q223-E226 PolarHBondContact O-N 3.39Å; Q223-D227 WeakPolarHBondContact O-CB 3.31Å; Q223-D227 PolarHBondContact O-N 3.36Å
224	L	86.3	Confident	83.4	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-36.1	176.2	-70.7	170	0	0	0	112.2	M220 K221 E222 E226 A228 R264 L265 I368	M220-L224 HydrophobicContact CB-CD1 3.98Å; M220-L224 HydrophobicContact CB-CG 4.26Å; M220-L224 WeakPolarHBondContact O-CB 3.48Å; M220-L224 WeakPolarHBondContact O-CG 3.47Å; M220-L224 PolarHBondContact O-N 3.5Å; K221-L224 PolarHBondContact O-N 2.82Å; E222-L224 PolarHBondContact O-N 2.92Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-A228 VanDerWaalsContact O-CB 3.28Å; L224-A228 WeakPolarHBondContact O-CB 3.22Å; L224-A228 PolarHBondContact O-N 2.87Å; L224-R264 HydrophobicContact CD2-CB 3.62Å; L224-R264 HydrophobicContact CD2-CG 4.22Å; L224-L265 HydrophobicContact CD1-CD1 3.83Å; L224-L265 HydrophobicContact CD1-CG 4.12Å; L224-I368 HydrophobicContact CB-CD1 3.94Å; L224-I368 HydrophobicContact CD1-CD1 4.08Å; L224-I368 HydrophobicContact CD1-CG1 4.46Å
225	L	86.8	Confident	82.2	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-66.7	-36.4	175.5	-71.8	-179.8	0	0	0	111.8	K221 E222 A229 R361 A364 Q365 I368	K221-L225 HydrophobicContact CG-CD1 4.17Å; K221-L225 WeakPolarHBondContact O-CG 3.33Å; K221-L225 PolarHBondContact O-N 3.32Å; E222-L225 WeakPolarHBondContact O-CB 3.34Å; E222-L225 PolarHBondContact O-N 3.38Å; L225-A229 WeakPolarHBondContact O-CB 3.49Å; L225-A229 PolarHBondContact O-N 3.24Å; L225-A229 VanDerWaalsContact O-N 3.14Å; L225-R361 HydrophobicContact CB-CG 3.83Å; L225-R361 HydrophobicContact CD1-CG 4.49Å; L225-R361 HydrophobicContact CD2-CG 3.9Å; L225-R361 VanDerWaalsContact CD2-O 3.28Å; L225-R361 WeakPolarHBondContact CD2-O 3.15Å; L225-R361 HydrophobicContact CG-CG 4.27Å; L225-A364 HydrophobicContact CD2-CB 3.91Å; L225-Q365 HydrophobicContact CD2-CB 3.84Å; L225-I368 HydrophobicContact CD2-CD1 4.37Å
226	E	85.9	Confident	81.1	Confident	113 Å²	113	62.8 Å²	62.8	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-73.6	-45.8	175.5	-167.2	167.9	-158	0	0	112	E222 Q223 L224 A228 A229 N230	E222-E226 PolarHBondContact O-N 2.98Å; Q223-E226 PolarHBondContact O-N 3.39Å; L224-E226 VanDerWaalsContact C-N 3.33Å; E226-A228 VanDerWaalsContact C-N 3.27Å; E226-A228 PolarHBondContact O-N 3.38Å; E226-A229 PolarHBondContact O-N 3.49Å; E226-A229 VanDerWaalsContact O-N 3.13Å; E226-N230 PolarHBondContact O-N 3.49Å; E226-N230 PolarHBondContact O-ND2 3.42Å
227	D	86.4	Confident	79.9	Confident	40 Å²	40	69.9 Å²	69.9	21%	0.214	38%	0.375	C	S	.	.	H	α-helix	trans	-57.5	-39.7	174.1	-78.9	-10.3	0	0	0	111.2	Q223 L231 L260 R264	Q223-D227 WeakPolarHBondContact O-CB 3.31Å; Q223-D227 PolarHBondContact O-N 3.36Å; D227-L231 PolarHBondContact O-N 2.97Å; D227-L260 HydrophobicContact CB-CD2 4.25Å; D227-R264 IonicContact OD2-CZ 3.26Å; D227-R264 VanDerWaalsContact OD2-CZ 3.26Å; D227-R264 IonicContact OD2-NH1 2.89Å; D227-R264 PolarHBondContact OD2-NH1 3.47Å; D227-R264 IonicContact OD2-NH2 3.32Å; D227-R264 PolarHBondContact OD2-NH2 3.02Å
228	A	85.4	Confident	78.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-69.6	-38.3	175.9	0	0	0	0	0	113.1	L224 E226 N230 L231 I257 K360 A364	L224-A228 VanDerWaalsContact O-CB 3.28Å; L224-A228 WeakPolarHBondContact O-CB 3.22Å; L224-A228 PolarHBondContact O-N 2.87Å; E226-A228 VanDerWaalsContact C-N 3.27Å; E226-A228 PolarHBondContact O-N 3.38Å; A228-N230 VanDerWaalsContact C-N 3.31Å; A228-N230 PolarHBondContact O-N 3.17Å; A228-L231 WeakPolarHBondContact O-CB 3.48Å; A228-L231 PolarHBondContact O-N 3.47Å; A228-I257 HydrophobicContact CB-CG2 4.19Å; A228-K360 WeakPolarHBondContact O-CB 3.45Å; A228-K360 WeakPolarHBondContact O-CD 3.46Å; A228-A364 HydrophobicContact CB-CB 3.52Å
229	A	85.6	Confident	77.4	Confident	7 Å²	7	73 Å²	73	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-39	177	0	0	0	0	0	111.6	L225 E226 L231 P357	L225-A229 WeakPolarHBondContact O-CB 3.49Å; L225-A229 PolarHBondContact O-N 3.24Å; L225-A229 VanDerWaalsContact O-N 3.14Å; E226-A229 PolarHBondContact O-N 3.49Å; E226-A229 VanDerWaalsContact O-N 3.13Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-P357 HydrophobicContact CB-CB 4.28Å
230	N	86.3	Confident	75.7	Confident	114 Å²	114	75.4 Å²	75.4	61%	0.61	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1	-178.4	-64.4	-28.5	0	0	0	114	E226 A228 E232	E226-N230 PolarHBondContact O-N 3.49Å; E226-N230 PolarHBondContact O-ND2 3.42Å; A228-N230 VanDerWaalsContact C-N 3.31Å; A228-N230 PolarHBondContact O-N 3.17Å; N230-E232 PolarHBondContact O-N 3.01Å
231	L	83.8	Confident	74	Confident	38 Å²	38	80.9 Å²	80.9	20%	0.199	42%	0.424	C	S	.	.			trans	-66.1	116.4	-178.6	-174.5	66.9	0	0	0	111.3	D227 A228 A229 F233 L256 I257 L260 K360	D227-L231 PolarHBondContact O-N 2.97Å; A228-L231 WeakPolarHBondContact O-CB 3.48Å; A228-L231 PolarHBondContact O-N 3.47Å; A229-L231 VanDerWaalsContact C-N 3.34Å; L231-F233 HydrophobicContact CD2-CE1 3.83Å; L231-F233 HydrophobicContact CD2-CZ 4.43Å; L231-F233 HydrophobicContact CG-CE1 4.34Å; L231-L256 HydrophobicContact CD2-CB 4.41Å; L231-I257 HydrophobicContact CD2-CG1 3.81Å; L231-L260 HydrophobicContact CD1-CD2 4.18Å; L231-L260 HydrophobicContact CD2-CD2 4.41Å; L231-K360 PolarHBondContact O-NZ 3.41Å
232	E	77.9	Confident	72.5	Confident	167 Å²	167	80.8 Å²	80.8	78%	0.78	44%	0.443	S	S	*	.			trans	-87.3	132.8	173.6	-65.7	-173.6	171.8	0	0	110.9	N230 T234	N230-E232 PolarHBondContact O-N 3.01Å; E232-T234 PolarHBondContact O-N 3.13Å
233	F	78.4	Confident	70.9	Confident	26 Å²	26	80.7 Å²	80.7	11%	0.114	44%	0.443	C	S	.	.			trans	-93.7	97	177.3	-57.2	-64.6	0	0	0	109.2	L231 D235 I236 V238 C253 L256 I257 I355 K360	L231-F233 HydrophobicContact CD2-CE1 3.83Å; L231-F233 HydrophobicContact CD2-CZ 4.43Å; L231-F233 HydrophobicContact CG-CE1 4.34Å; F233-D235 VanDerWaalsContact C-N 3.33Å; F233-D235 PolarHBondContact O-N 3.18Å; F233-I236 HydrophobicContact CB-CB 4.07Å; F233-I236 HydrophobicContact CB-CD1 4.37Å; F233-I236 HydrophobicContact CB-CG1 4.43Å; F233-V238 HydrophobicContact CD2-CG2 4.45Å; F233-C253 HydrophobicContact CE1-CB 3.96Å; F233-C253 HydrophobicContact CE2-CB 4.17Å; F233-C253 HydrophobicContact CZ-CB 3.73Å; F233-L256 HydrophobicContact CD1-CB 4.49Å; F233-L256 HydrophobicContact CD1-CD1 3.78Å; F233-L256 HydrophobicContact CE1-CB 4.2Å; F233-L256 HydrophobicContact CE1-CD1 4.27Å; F233-I257 HydrophobicContact CE1-CG1 4.43Å; F233-I257 HydrophobicContact CZ-CD1 4.17Å; F233-I257 HydrophobicContact CZ-CG1 4.26Å; F233-I355 HydrophobicContact CD2-CG2 4.46Å; F233-I355 HydrophobicContact CE2-CG2 3.75Å; F233-K360 HydrophobicContact CE2-CD 4.27Å; F233-K360 HydrophobicContact CZ-CD 4.34Å
234	T	64.7	Low	69.3	Low	122 Å²	122	80.9 Å²	80.9	75%	0.748	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.5	-175.8	50.1	0	0	0	0	113.7	E232	E232-T234 PolarHBondContact O-N 3.13Å
235	D	58.5	Low	68.2	Low	152 Å²	152	82.3 Å²	82.3	81%	0.813	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	8.6	-174	-59.8	-37.2	0	0	0	113.9	F233	F233-D235 VanDerWaalsContact C-N 3.33Å; F233-D235 PolarHBondContact O-N 3.18Å
236	I	61.5	Low	67.3	Low	25 Å²	25	85.5 Å²	85.5	13%	0.128	48%	0.482	C	S	.	.	S	Bend	trans	-129.4	119.7	-175.4	-55.1	175.9	0	0	0	109.1	F233 V238 E249 C253 L256	F233-I236 HydrophobicContact CB-CB 4.07Å; F233-I236 HydrophobicContact CB-CD1 4.37Å; F233-I236 HydrophobicContact CB-CG1 4.43Å; I236-V238 HydrophobicContact CG2-CG2 4.19Å; I236-V238 PolarHBondContact O-N 2.73Å; I236-E249 HydrophobicContact CG2-CB 4.21Å; I236-E249 HydrophobicContact CG2-CG 4.32Å; I236-C253 WeakPolarHBondContact CD1-SG 3.45Å; I236-L256 HydrophobicContact CD1-CD1 4.3Å
237	I	58.4	Low	66.5	Low	152 Å²	152	82.9 Å²	82.9	78%	0.779	48%	0.476	S	S	*	.			trans	-76.9	92.2	177.1	-55.2	173.8	0	0	0	108.5	T239	I237-T239 HydrophobicContact CG2-CG2 4.31Å; I237-T239 PolarHBondContact O-N 3.34Å
238	V	56.8	Low	65.8	Low	60 Å²	60	89 Å²	89	36%	0.364	50%	0.501	S	S	.	.			trans	-82.8	100.3	171.5	-174.1	0	0	0	0	108	F233 I236 T240 I355	F233-V238 HydrophobicContact CD2-CG2 4.45Å; I236-V238 HydrophobicContact CG2-CG2 4.19Å; I236-V238 PolarHBondContact O-N 2.73Å; V238-T240 PolarHBondContact O-N 3.25Å; V238-I355 HydrophobicContact CG1-CB 4.38Å; V238-I355 HydrophobicContact CG1-CD1 4.37Å; V238-I355 HydrophobicContact CG2-CD1 4.03Å
239	T	54.6	Low	65.2	Low	76 Å²	76	92.3 Å²	92.3	47%	0.466	52%	0.516	S	S	.	.			trans	-67.8	126.8	176.9	52.1	0	0	0	0	110.4	I237 N241	I237-T239 HydrophobicContact CG2-CG2 4.31Å; I237-T239 PolarHBondContact O-N 3.34Å; T239-N241 PolarHBondContact O-N 2.92Å
240	T	51.3	Low	64.7	Low	137 Å²	137	92.3 Å²	92.3	84%	0.84	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.2	-174.4	48.3	0	0	0	0	115.5	V238	V238-T240 PolarHBondContact O-N 3.25Å
241	N	48.8	Very low	64.2	Low	141 Å²	141	92.3 Å²	92.3	75%	0.754	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	31	-165.9	-67.3	-2	0	0	0	115.3	T239 E243	T239-N241 PolarHBondContact O-N 2.92Å; N241-E243 PolarHBondContact O-N 3.07Å
242	G	52.8	Low	63.9	Low	67 Å²	67	93.2 Å²	93.2	69%	0.691	52%	0.519	S	S	*	.			trans	73.7	18.7	165.3	0	0	0	0	0	117
243	E	52.8	Low	63.9	Low	139 Å²	139	85.2 Å²	85.2	65%	0.65	48%	0.482	S	S	*	.			trans	-73.9	147.2	168.6	-77	-83.6	149.4	0	0	111.1	N241 V245	N241-E243 PolarHBondContact O-N 3.07Å; E243-V245 PolarHBondContact O-N 3.45Å; E243-V245 VanDerWaalsContact O-N 3.14Å
244	P	53	Low	63.9	Low	111 Å²	111	85 Å²	85	72%	0.721	48%	0.482	S	S	*	.			trans	-68.4	112.1	-175.3	26.7	-32.4	0	0	0	111.3	T246	P244-T246 PolarHBondContact O-N 3.1Å
245	V	62.4	Low	64.7	Low	35 Å²	35	82.6 Å²	82.6	21%	0.212	46%	0.462	C	S	.	.			trans	-60.2	134.5	171.6	-173.5	0	0	0	0	109.3	E243 E249 I250 I355	E243-V245 PolarHBondContact O-N 3.45Å; E243-V245 VanDerWaalsContact O-N 3.14Å; V245-E249 HydrophobicContact CG1-CB 3.63Å; V245-I250 HydrophobicContact CB-CD1 4.18Å; V245-I250 HydrophobicContact CB-CG1 3.96Å; V245-I250 HydrophobicContact CG1-CD1 4.4Å; V245-I250 HydrophobicContact CG1-CG1 3.67Å; V245-I355 HydrophobicContact CG1-CD1 4.06Å; V245-I355 HydrophobicContact CG2-CD1 4.08Å; V245-I355 HydrophobicContact CG2-CG1 4.42Å
246	T	67.2	Low	65.9	Low	74 Å²	74	78.6 Å²	78.6	45%	0.454	44%	0.44	S	S	.	.			trans	-67.4	147.9	-178.6	67.8	0	0	0	0	110.7	P244 K248 E249 I250	P244-T246 PolarHBondContact O-N 3.1Å; T246-K248 PolarHBondContact O-N 3.43Å; T246-E249 WeakPolarHBondContact CB-OE2 3.43Å; T246-E249 PolarHBondContact N-OE2 3.2Å; T246-E249 PolarHBondContact O-N 2.86Å; T246-E249 WeakPolarHBondContact OG1-CG 3.45Å; T246-E249 PolarHBondContact OG1-N 3.24Å; T246-E249 PolarHBondContact OG1-OE2 3.11Å; T246-I250 PolarHBondContact O-N 3.09Å; T246-I250 VanDerWaalsContact O-N 3.12Å
247	S	69.1	Low	66.8	Low	58 Å²	58	77.4 Å²	77.4	41%	0.406	43%	0.434	S	S	.	.	H	α-helix	trans	-57.1	-22.1	178.1	-174.3	0	0	0	0	113.3	K251	S247-K251 WeakPolarHBondContact O-CB 3.49Å; S247-K251 VanDerWaalsContact O-CG 3.28Å; S247-K251 WeakPolarHBondContact O-CG 3.47Å; S247-K251 PolarHBondContact O-N 3.01Å
248	K	71.6	Confident	67.9	Low	168 Å²	168	71 Å²	71	73%	0.73	40%	0.4	S	S	*	.	H	α-helix	trans	-74.3	-42.9	175.7	-169.5	180	177.4	-173.7	0	112.1	T246 K251 S252	T246-K248 PolarHBondContact O-N 3.43Å; K248-K251 WeakPolarHBondContact O-CB 3.44Å; K248-K251 PolarHBondContact O-N 3.49Å; K248-S252 PolarHBondContact O-N 3.03Å; K248-S252 VanDerWaalsContact O-N 3.09Å; K248-S252 PolarHBondContact O-OG 3.47Å
249	E	73.3	Confident	69.1	Low	70 Å²	70	72.2 Å²	72.2	33%	0.327	40%	0.402	S	S	.	.	H	α-helix	trans	-70.3	-38.2	178.4	-70.5	155.2	162.9	0	0	111.8	I236 V245 T246 K251 S252 C253	I236-E249 HydrophobicContact CG2-CB 4.21Å; I236-E249 HydrophobicContact CG2-CG 4.32Å; V245-E249 HydrophobicContact CG1-CB 3.63Å; T246-E249 WeakPolarHBondContact CB-OE2 3.43Å; T246-E249 PolarHBondContact N-OE2 3.2Å; T246-E249 PolarHBondContact O-N 2.86Å; T246-E249 WeakPolarHBondContact OG1-CG 3.45Å; T246-E249 PolarHBondContact OG1-N 3.24Å; T246-E249 PolarHBondContact OG1-OE2 3.11Å; E249-K251 VanDerWaalsContact C-N 3.33Å; E249-K251 PolarHBondContact O-N 3.3Å; E249-S252 PolarHBondContact O-N 2.89Å; E249-C253 PolarHBondContact O-N 3.34Å; E249-C253 PolarHBondContact O-SG 3.47Å
250	I	75.3	Confident	70.5	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-43.2	173.4	-63.4	170.4	0	0	0	110.4	V245 T246 S252 C253 I254 W359	V245-I250 HydrophobicContact CB-CD1 4.18Å; V245-I250 HydrophobicContact CB-CG1 3.96Å; V245-I250 HydrophobicContact CG1-CD1 4.4Å; V245-I250 HydrophobicContact CG1-CG1 3.67Å; T246-I250 PolarHBondContact O-N 3.09Å; T246-I250 VanDerWaalsContact O-N 3.12Å; I250-S252 VanDerWaalsContact C-N 3.35Å; I250-S252 PolarHBondContact O-N 3.23Å; I250-C253 PolarHBondContact O-N 3.49Å; I250-I254 HydrophobicContact CG2-CD1 3.92Å; I250-I254 VanDerWaalsContact O-CG1 3.3Å; I250-I254 WeakPolarHBondContact O-CG1 3.37Å; I250-I254 PolarHBondContact O-N 3.46Å; I250-W359 HydrophobicContact CG2-CH2 4.5Å; I250-W359 HydrophobicContact CG2-CZ2 4.13Å
251	K	75.4	Confident	72	Confident	115 Å²	115	64 Å²	64	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-42	174.8	-82.1	173.2	-176.9	-178	0	112.3	S247 K248 E249 I254 H255 L349	S247-K251 WeakPolarHBondContact O-CB 3.49Å; S247-K251 VanDerWaalsContact O-CG 3.28Å; S247-K251 WeakPolarHBondContact O-CG 3.47Å; S247-K251 PolarHBondContact O-N 3.01Å; K248-K251 WeakPolarHBondContact O-CB 3.44Å; K248-K251 PolarHBondContact O-N 3.49Å; E249-K251 VanDerWaalsContact C-N 3.33Å; E249-K251 PolarHBondContact O-N 3.3Å; K251-I254 PolarHBondContact O-N 3.43Å; K251-H255 WeakPolarHBondContact O-CB 3.46Å; K251-H255 PolarHBondContact O-N 2.7Å; K251-L349 HydrophobicContact CD-CD2 4.43Å; K251-L349 HydrophobicContact CG-CD2 3.63Å
252	S	77.5	Confident	73.5	Confident	56 Å²	56	57.6 Å²	57.6	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-40.5	175.8	-65.9	0	0	0	0	112.5	K248 E249 I250 H255 L256	K248-S252 PolarHBondContact O-N 3.03Å; K248-S252 VanDerWaalsContact O-N 3.09Å; K248-S252 PolarHBondContact O-OG 3.47Å; E249-S252 PolarHBondContact O-N 2.89Å; I250-S252 VanDerWaalsContact C-N 3.35Å; I250-S252 PolarHBondContact O-N 3.23Å; S252-H255 WeakPolarHBondContact O-CB 3.36Å; S252-H255 PolarHBondContact O-N 3.11Å; S252-L256 WeakPolarHBondContact O-CG 3.44Å; S252-L256 PolarHBondContact O-N 3.22Å
253	C	79.3	Confident	74.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-44.8	175.3	-66.1	0	0	0	0	111.9	F233 I236 E249 I250 H255 L256 I257 W359	F233-C253 HydrophobicContact CE1-CB 3.96Å; F233-C253 HydrophobicContact CE2-CB 4.17Å; F233-C253 HydrophobicContact CZ-CB 3.73Å; I236-C253 WeakPolarHBondContact CD1-SG 3.45Å; E249-C253 PolarHBondContact O-N 3.34Å; E249-C253 PolarHBondContact O-SG 3.47Å; I250-C253 PolarHBondContact O-N 3.49Å; C253-H255 VanDerWaalsContact C-N 3.31Å; C253-H255 PolarHBondContact O-N 3.01Å; C253-L256 PolarHBondContact O-N 3.41Å; C253-I257 WeakPolarHBondContact O-CG1 3.31Å; C253-I257 PolarHBondContact O-N 3.19Å; C253-I257 VanDerWaalsContact O-N 3.1Å; C253-W359 HydrophobicContact CB-CH2 3.98Å; C253-W359 HydrophobicContact CB-CZ3 4.22Å
254	I	78.8	Confident	76.2	Confident	21 Å²	21	56 Å²	56	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-43.9	175.1	-68	167	0	0	0	110.1	I250 K251 L256 I257 Q258 L349 W359 V363	I250-I254 HydrophobicContact CG2-CD1 3.92Å; I250-I254 VanDerWaalsContact O-CG1 3.3Å; I250-I254 WeakPolarHBondContact O-CG1 3.37Å; I250-I254 PolarHBondContact O-N 3.46Å; K251-I254 PolarHBondContact O-N 3.43Å; I254-L256 PolarHBondContact O-N 2.8Å; I254-I257 PolarHBondContact O-N 2.97Å; I254-Q258 HydrophobicContact CG2-CG 4.25Å; I254-Q258 WeakPolarHBondContact O-CB 3.44Å; I254-Q258 WeakPolarHBondContact O-CG 3.35Å; I254-Q258 PolarHBondContact O-N 3.39Å; I254-L349 HydrophobicContact CD1-CD2 4Å; I254-L349 HydrophobicContact CD1-CG 4.47Å; I254-W359 HydrophobicContact CD1-CZ2 4.18Å; I254-W359 HydrophobicContact CG1-CH2 3.87Å; I254-W359 HydrophobicContact CG1-CZ2 3.75Å; I254-V363 HydrophobicContact CG1-CG1 4.29Å; I254-V363 HydrophobicContact CG2-CG1 4.21Å
255	H	81.1	Confident	77.4	Confident	71 Å²	71	50.8 Å²	50.8	33%	0.329	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-43.2	179.2	-169.7	81.4	0	0	0	112.6	K251 S252 C253 Q258 E259 H345	K251-H255 WeakPolarHBondContact O-CB 3.46Å; K251-H255 PolarHBondContact O-N 2.7Å; S252-H255 WeakPolarHBondContact O-CB 3.36Å; S252-H255 PolarHBondContact O-N 3.11Å; C253-H255 VanDerWaalsContact C-N 3.31Å; C253-H255 PolarHBondContact O-N 3.01Å; H255-Q258 PolarHBondContact O-N 2.91Å; H255-E259 PolarHBondContact O-N 3.5Å; H255-H345 AromaticContact CE1-CE1 3.5Å; H255-H345 PolarHBondContact CE1-CE1 2.8Å; H255-H345 VanDerWaalsContact CE1-CE1 3.5Å; H255-H345 AromaticContact CE1-NE2 3.76Å; H255-H345 AromaticContact ND1-CE1 3.45Å; H255-H345 PolarHBondContact ND1-CE1 3.29Å; H255-H345 AromaticContact ND1-NE2 3.71Å
256	L	82.4	Confident	78.2	Confident	68 Å²	68	50 Å²	50	36%	0.356	25%	0.25	S	S	.	.	H	α-helix	trans	-66.4	-41.4	178.4	-72.4	168	0	0	0	112.5	L231 F233 I236 S252 C253 I254 Q258 E259 L260	L231-L256 HydrophobicContact CD2-CB 4.41Å; F233-L256 HydrophobicContact CD1-CB 4.49Å; F233-L256 HydrophobicContact CD1-CD1 3.78Å; F233-L256 HydrophobicContact CE1-CB 4.2Å; F233-L256 HydrophobicContact CE1-CD1 4.27Å; I236-L256 HydrophobicContact CD1-CD1 4.3Å; S252-L256 WeakPolarHBondContact O-CG 3.44Å; S252-L256 PolarHBondContact O-N 3.22Å; C253-L256 PolarHBondContact O-N 3.41Å; I254-L256 PolarHBondContact O-N 2.8Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-E259 PolarHBondContact O-N 2.87Å; L256-L260 PolarHBondContact O-N 2.97Å
257	I	81.9	Confident	78.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-43.7	173.8	-65.7	166.6	0	0	0	110	A228 L231 F233 C253 I254 L260 I261 W359 K360 V363 A364	A228-I257 HydrophobicContact CB-CG2 4.19Å; L231-I257 HydrophobicContact CD2-CG1 3.81Å; F233-I257 HydrophobicContact CE1-CG1 4.43Å; F233-I257 HydrophobicContact CZ-CD1 4.17Å; F233-I257 HydrophobicContact CZ-CG1 4.26Å; C253-I257 WeakPolarHBondContact O-CG1 3.31Å; C253-I257 PolarHBondContact O-N 3.19Å; C253-I257 VanDerWaalsContact O-N 3.1Å; I254-I257 PolarHBondContact O-N 2.97Å; I257-L260 PolarHBondContact O-N 3.23Å; I257-I261 HydrophobicContact CG2-CD1 3.89Å; I257-I261 WeakPolarHBondContact O-CD1 3.49Å; I257-I261 VanDerWaalsContact O-CG1 3.24Å; I257-I261 WeakPolarHBondContact O-CG1 3.42Å; I257-I261 PolarHBondContact O-N 3Å; I257-I261 VanDerWaalsContact O-N 3.15Å; I257-W359 HydrophobicContact CD1-CZ3 4.08Å; I257-K360 HydrophobicContact CD1-CB 3.97Å; I257-K360 HydrophobicContact CD1-CG 4Å; I257-V363 HydrophobicContact CB-CG1 4.39Å; I257-V363 HydrophobicContact CD1-CB 4.35Å; I257-V363 HydrophobicContact CD1-CG1 4.22Å; I257-V363 HydrophobicContact CG2-CG1 4.07Å; I257-A364 HydrophobicContact CG2-CB 4.11Å
258	Q	80.1	Confident	79.2	Confident	17 Å²	17	50.1 Å²	50.1	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176.5	-72.4	178.7	-14.2	0	0	111.8	I254 H255 L256 L260 I261 V262 I344	I254-Q258 HydrophobicContact CG2-CG 4.25Å; I254-Q258 WeakPolarHBondContact O-CB 3.44Å; I254-Q258 WeakPolarHBondContact O-CG 3.35Å; I254-Q258 PolarHBondContact O-N 3.39Å; H255-Q258 PolarHBondContact O-N 2.91Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; Q258-L260 PolarHBondContact O-N 2.72Å; Q258-I261 PolarHBondContact O-N 3.49Å; Q258-V262 WeakPolarHBondContact O-CG2 3.37Å; Q258-V262 PolarHBondContact O-N 2.87Å; Q258-I344 HydrophobicContact CB-CG2 3.65Å; Q258-I344 HydrophobicContact CG-CG2 3.43Å; Q258-I344 VanDerWaalsContact CG-CG2 3.43Å; Q258-I344 PolarHBondContact NE2-O 3.36Å
259	E	81.9	Confident	79.4	Confident	87 Å²	87	42.1 Å²	42.1	41%	0.407	21%	0.208	S	C	.	.	H	α-helix	trans	-60.7	-43.5	177	-99.8	-155.2	150.1	0	0	112.9	H255 L256 I261 V262 L263	H255-E259 PolarHBondContact O-N 3.5Å; L256-E259 PolarHBondContact O-N 2.87Å; E259-I261 VanDerWaalsContact C-N 3.3Å; E259-I261 PolarHBondContact O-N 2.86Å; E259-V262 PolarHBondContact O-N 3.41Å; E259-L263 WeakPolarHBondContact O-CB 3.47Å; E259-L263 PolarHBondContact O-N 3.14Å
260	L	84.6	Confident	79.3	Confident	39 Å²	39	38.8 Å²	38.8	20%	0.204	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-46.5	176.2	-179.7	73.3	0	0	0	111.2	D227 L231 L256 I257 Q258 L263 R264	D227-L260 HydrophobicContact CB-CD2 4.25Å; L231-L260 HydrophobicContact CD1-CD2 4.18Å; L231-L260 HydrophobicContact CD2-CD2 4.41Å; L256-L260 PolarHBondContact O-N 2.97Å; I257-L260 PolarHBondContact O-N 3.23Å; Q258-L260 PolarHBondContact O-N 2.72Å; L260-L263 PolarHBondContact O-N 3.46Å; L260-R264 PolarHBondContact O-N 3.04Å
261	I	82.3	Confident	79.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-47.9	179.1	-67.6	168.6	0	0	0	110.1	I257 Q258 E259 L263 R264 L265 I344 A364 A367 I368	I257-I261 HydrophobicContact CG2-CD1 3.89Å; I257-I261 WeakPolarHBondContact O-CD1 3.49Å; I257-I261 VanDerWaalsContact O-CG1 3.24Å; I257-I261 WeakPolarHBondContact O-CG1 3.42Å; I257-I261 PolarHBondContact O-N 3Å; I257-I261 VanDerWaalsContact O-N 3.15Å; Q258-I261 PolarHBondContact O-N 3.49Å; E259-I261 VanDerWaalsContact C-N 3.3Å; E259-I261 PolarHBondContact O-N 2.86Å; I261-L263 VanDerWaalsContact C-N 3.31Å; I261-L263 PolarHBondContact O-N 3.16Å; I261-R264 PolarHBondContact O-N 3.35Å; I261-L265 HydrophobicContact CG2-CD1 3.55Å; I261-L265 VanDerWaalsContact O-CB 3.28Å; I261-L265 WeakPolarHBondContact O-CB 3.5Å; I261-L265 PolarHBondContact O-N 3.42Å; I261-I344 HydrophobicContact CG2-CD1 3.98Å; I261-A364 VanDerWaalsContact CD1-CA 3.48Å; I261-A364 HydrophobicContact CD1-CB 3.57Å; I261-A367 HydrophobicContact CD1-CB 3.88Å; I261-I368 HydrophobicContact CG2-CG1 4.36Å
262	V	79.9	Confident	79.2	Confident	6 Å²	6	42.5 Å²	42.5	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-44.8	177.2	-176.3	0	0	0	0	110.1	Q258 E259 N266 W337 I340 K341 I344	Q258-V262 WeakPolarHBondContact O-CG2 3.37Å; Q258-V262 PolarHBondContact O-N 2.87Å; E259-V262 PolarHBondContact O-N 3.41Å; V262-N266 WeakPolarHBondContact O-CB 3.4Å; V262-N266 PolarHBondContact O-N 2.92Å; V262-W337 HydrophobicContact CB-CH2 4.09Å; V262-W337 HydrophobicContact CB-CZ3 3.96Å; V262-W337 HydrophobicContact CG1-CD2 3.99Å; V262-W337 HydrophobicContact CG1-CE3 3.47Å; V262-W337 VanDerWaalsContact CG1-CE3 3.47Å; V262-W337 HydrophobicContact CG1-CH2 3.64Å; V262-W337 HydrophobicContact CG1-CZ2 4.14Å; V262-W337 HydrophobicContact CG1-CZ3 3.27Å; V262-I340 HydrophobicContact CB-CG2 4.13Å; V262-I340 HydrophobicContact CG1-CB 4.2Å; V262-I340 HydrophobicContact CG1-CG2 3.76Å; V262-I340 HydrophobicContact CG2-CG2 4.04Å; V262-K341 HydrophobicContact CG1-CB 4.48Å; V262-I344 HydrophobicContact CG2-CD1 3.7Å
263	L	82.1	Confident	78.6	Confident	84 Å²	84	39.9 Å²	39.9	44%	0.44	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-54.4	179.9	-165.8	75.1	0	0	0	112.7	E259 L260 I261 Q267 W337	E259-L263 WeakPolarHBondContact O-CB 3.47Å; E259-L263 PolarHBondContact O-N 3.14Å; L260-L263 PolarHBondContact O-N 3.46Å; I261-L263 VanDerWaalsContact C-N 3.31Å; I261-L263 PolarHBondContact O-N 3.16Å; L263-Q267 WeakPolarHBondContact O-CG 3.43Å; L263-Q267 PolarHBondContact O-N 3.26Å; L263-W337 HydrophobicContact CB-CH2 4.31Å; L263-W337 HydrophobicContact CB-CZ3 4.3Å; L263-W337 HydrophobicContact CD1-CH2 4.01Å; L263-W337 HydrophobicContact CD1-CZ3 4.12Å
264	R	81.8	Confident	78.1	Confident	89 Å²	89	42.3 Å²	42.3	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-67.8	-42.3	-177.7	-69.9	-64.4	-167.3	94.9	9.2	111.9	M220 L224 D227 L260 I261 A268	M220-R264 HydrophobicContact CE-CB 4.37Å; L224-R264 HydrophobicContact CD2-CB 3.62Å; L224-R264 HydrophobicContact CD2-CG 4.22Å; D227-R264 IonicContact OD2-CZ 3.26Å; D227-R264 VanDerWaalsContact OD2-CZ 3.26Å; D227-R264 IonicContact OD2-NH1 2.89Å; D227-R264 PolarHBondContact OD2-NH1 3.47Å; D227-R264 IonicContact OD2-NH2 3.32Å; D227-R264 PolarHBondContact OD2-NH2 3.02Å; L260-R264 PolarHBondContact O-N 3.04Å; I261-R264 PolarHBondContact O-N 3.35Å; R264-A268 PolarHBondContact O-N 2.95Å
265	L	77.9	Confident	77.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-43.1	177.2	-97.6	144.5	0	0	0	112.4	L217 L224 I261 Q267 A268 V269 I340 L371	L217-L265 HydrophobicContact CD2-CD1 4.13Å; L217-L265 HydrophobicContact CD2-CD2 3.41Å; L217-L265 VanDerWaalsContact CD2-CD2 3.41Å; L217-L265 HydrophobicContact CD2-CG 4.36Å; L217-L265 HydrophobicContact CG-CD2 4.07Å; L224-L265 HydrophobicContact CD1-CD1 3.83Å; L224-L265 HydrophobicContact CD1-CG 4.12Å; I261-L265 HydrophobicContact CG2-CD1 3.55Å; I261-L265 VanDerWaalsContact O-CB 3.28Å; I261-L265 WeakPolarHBondContact O-CB 3.5Å; I261-L265 PolarHBondContact O-N 3.42Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-Q267 PolarHBondContact O-N 3.32Å; L265-A268 PolarHBondContact O-N 2.97Å; L265-V269 HydrophobicContact CD2-CG2 4.02Å; L265-V269 VanDerWaalsContact O-CB 3.26Å; L265-V269 WeakPolarHBondContact O-CB 3.26Å; L265-V269 VanDerWaalsContact O-CG2 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.45Å; L265-V269 PolarHBondContact O-N 2.96Å; L265-I340 HydrophobicContact CB-CD1 4.41Å; L265-L371 HydrophobicContact CD2-CD2 4.42Å
266	N	78.1	Confident	76.8	Confident	20 Å²	20	42.9 Å²	42.9	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-42.2	179.7	-171.7	48	0	0	0	111.5	V262 A268 A270 T333 V336 W337 I340	V262-N266 WeakPolarHBondContact O-CB 3.4Å; V262-N266 PolarHBondContact O-N 2.92Å; N266-A268 PolarHBondContact O-N 2.9Å; N266-A270 WeakPolarHBondContact O-CB 3.34Å; N266-A270 PolarHBondContact O-N 3.1Å; N266-T333 PolarHBondContact ND2-O 2.95Å; N266-T333 PolarHBondContact OD1-O 3.23Å; N266-V336 WeakPolarHBondContact OD1-CB 3.46Å; N266-V336 VanDerWaalsContact OD1-CG1 3.26Å; N266-V336 WeakPolarHBondContact OD1-CG1 3.36Å; N266-W337 HydrophobicContact CB-CE3 3.64Å; N266-W337 HydrophobicContact CB-CZ3 4.08Å; N266-W337 PolarHBondContact OD1-N 3.38Å; N266-I340 HydrophobicContact CB-CD1 4.32Å
267	Q	78.8	Confident	75.9	Confident	108 Å²	108	41.3 Å²	41.3	51%	0.505	22%	0.215	S	C	.	.	H	α-helix	trans	-60.6	-45.9	176.1	-76.4	178.6	-14.2	0	0	112.2	L263 L265 N271	L263-Q267 WeakPolarHBondContact O-CG 3.43Å; L263-Q267 PolarHBondContact O-N 3.26Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-Q267 PolarHBondContact O-N 3.32Å; Q267-N271 WeakPolarHBondContact O-CB 3.32Å; Q267-N271 PolarHBondContact O-N 2.94Å; Q267-N271 PolarHBondContact O-ND2 3.21Å; Q267-N271 VanDerWaalsContact O-ND2 3.14Å
268	A	79.1	Confident	75	Confident	25 Å²	25	44 Å²	44	21%	0.207	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-44.4	-178.2	0	0	0	0	0	113.2	T216 M220 R264 L265 N266 K272	T216-A268 HydrophobicContact CG2-CB 4.03Å; M220-A268 HydrophobicContact CE-CB 3.8Å; M220-A268 HydrophobicContact SD-CB 3.25Å; M220-A268 WeakPolarHBondContact SD-CB 3.38Å; R264-A268 PolarHBondContact O-N 2.95Å; L265-A268 PolarHBondContact O-N 2.97Å; N266-A268 PolarHBondContact O-N 2.9Å; A268-K272 PolarHBondContact O-N 2.98Å
269	V	75.8	Confident	74.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.3	-43.5	-178.1	173.6	0	0	0	0	110.9	I213 T216 L265 N271 K272 L273 V336 L376	I213-V269 HydrophobicContact CG1-CG1 4.12Å; T216-V269 HydrophobicContact CG2-CG2 4.24Å; L265-V269 HydrophobicContact CD2-CG2 4.02Å; L265-V269 VanDerWaalsContact O-CB 3.26Å; L265-V269 WeakPolarHBondContact O-CB 3.26Å; L265-V269 VanDerWaalsContact O-CG2 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.45Å; L265-V269 PolarHBondContact O-N 2.96Å; V269-N271 PolarHBondContact O-N 2.83Å; V269-K272 PolarHBondContact O-N 3.31Å; V269-L273 HydrophobicContact CG1-CD1 3.5Å; V269-L273 VanDerWaalsContact CG1-CD1 3.5Å; V269-L273 WeakPolarHBondContact O-CB 3.35Å; V269-L273 PolarHBondContact O-N 3.1Å; V269-V336 HydrophobicContact CG1-CG1 4.14Å; V269-L376 HydrophobicContact CG1-CD2 4.37Å
270	A	71.7	Confident	73.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-39.2	-179.3	0	0	0	0	0	112.3	N266 K272 L273 I274 T333	N266-A270 WeakPolarHBondContact O-CB 3.34Å; N266-A270 PolarHBondContact O-N 3.1Å; A270-K272 VanDerWaalsContact C-N 3.34Å; A270-K272 PolarHBondContact O-N 3.49Å; A270-L273 PolarHBondContact O-N 3.3Å; A270-L273 VanDerWaalsContact O-N 3.14Å; A270-I274 WeakPolarHBondContact O-CD1 3.45Å; A270-I274 VanDerWaalsContact O-CG1 3.24Å; A270-I274 WeakPolarHBondContact O-CG1 3.44Å; A270-I274 PolarHBondContact O-N 3.02Å; A270-T333 HydrophobicContact CB-CG2 3.62Å
271	N	73.9	Confident	72.1	Confident	114 Å²	114	47.6 Å²	47.6	61%	0.61	24%	0.237	S	C	*	.	H	α-helix	trans	-60.6	-40.9	177.1	-76.8	-15.5	0	0	0	112.5	Q267 V269	Q267-N271 WeakPolarHBondContact O-CB 3.32Å; Q267-N271 PolarHBondContact O-N 2.94Å; Q267-N271 PolarHBondContact O-ND2 3.21Å; Q267-N271 VanDerWaalsContact O-ND2 3.14Å; V269-N271 PolarHBondContact O-N 2.83Å
272	K	73.4	Confident	71.3	Confident	85 Å²	85	53.8 Å²	53.8	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-75.3	-24.1	175.4	-70.7	-172.8	178.9	-177.8	0	113.6	M212 T216 A268 V269 A270 S275	M212-K272 HydrophobicContact CE-CB 4.08Å; M212-K272 HydrophobicContact CG-CB 4.17Å; M212-K272 HydrophobicContact CG-CD 4.01Å; M212-K272 HydrophobicContact SD-CB 3.58Å; M212-K272 VanDerWaalsContact SD-CB 3.58Å; M212-K272 HydrophobicContact SD-CD 3.97Å; M212-K272 HydrophobicContact SD-CG 4.45Å; T216-K272 WeakPolarHBondContact OG1-CD 3Å; T216-K272 PolarHBondContact OG1-NZ 3.49Å; A268-K272 PolarHBondContact O-N 2.98Å; V269-K272 PolarHBondContact O-N 3.31Å; A270-K272 VanDerWaalsContact C-N 3.34Å; A270-K272 PolarHBondContact O-N 3.49Å; K272-S275 PolarHBondContact O-OG 2.85Å; K272-S275 VanDerWaalsContact O-OG 3.1Å
273	L	66.4	Low	70.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-78.5	-35.8	178.5	-112.3	131.4	0	0	0	113	M209 M212 V269 A270 S275 S276 V277 V336 I380	M209-L273 HydrophobicContact CE-CD2 4.41Å; M209-L273 HydrophobicContact SD-CD2 3.84Å; M212-L273 HydrophobicContact CE-CB 4.41Å; M212-L273 HydrophobicContact CE-CD1 3.89Å; M212-L273 HydrophobicContact CE-CG 3.8Å; V269-L273 HydrophobicContact CG1-CD1 3.5Å; V269-L273 VanDerWaalsContact CG1-CD1 3.5Å; V269-L273 WeakPolarHBondContact O-CB 3.35Å; V269-L273 PolarHBondContact O-N 3.1Å; A270-L273 PolarHBondContact O-N 3.3Å; A270-L273 VanDerWaalsContact O-N 3.14Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-S275 PolarHBondContact O-N 3.42Å; L273-S276 PolarHBondContact O-N 2.95Å; L273-S276 VanDerWaalsContact O-N 3.1Å; L273-V277 HydrophobicContact CD2-CG2 4.21Å; L273-V277 WeakPolarHBondContact O-CG2 3.48Å; L273-V277 PolarHBondContact O-N 3.29Å; L273-V336 HydrophobicContact CD1-CG2 4.42Å; L273-I380 HydrophobicContact CD1-CD1 3.82Å; L273-I380 HydrophobicContact CD2-CD1 3.94Å; L273-I380 HydrophobicContact CD2-CG2 3.89Å
274	I	68	Low	69.1	Low	52 Å²	52	53.1 Å²	53.1	27%	0.267	26%	0.264	S	S	.	.	H	α-helix	trans	-54.8	-48.8	-179.5	-72.9	160.6	0	0	0	110.6	A270 S276 V277 D278 T333	A270-I274 WeakPolarHBondContact O-CD1 3.45Å; A270-I274 VanDerWaalsContact O-CG1 3.24Å; A270-I274 WeakPolarHBondContact O-CG1 3.44Å; A270-I274 PolarHBondContact O-N 3.02Å; I274-S276 VanDerWaalsContact C-N 3.32Å; I274-S276 PolarHBondContact O-N 2.96Å; I274-V277 PolarHBondContact O-N 2.95Å; I274-D278 WeakPolarHBondContact CG2-OD2 3.4Å; I274-D278 WeakPolarHBondContact O-CB 3.37Å; I274-D278 VanDerWaalsContact O-CG 3.3Å; I274-D278 PolarHBondContact O-N 3.21Å; I274-T333 HydrophobicContact CD1-CG2 4.48Å
275	S	67.6	Low	68	Low	75 Å²	75	50.3 Å²	50.3	52%	0.524	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-35.2	178.4	55.3	0	0	0	0	113.6	K272 L273 Y279	K272-S275 PolarHBondContact O-OG 2.85Å; K272-S275 VanDerWaalsContact O-OG 3.1Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-S275 PolarHBondContact O-N 3.42Å; S275-Y279 PolarHBondContact O-N 3.37Å; S275-Y279 VanDerWaalsContact O-N 3.16Å
276	S	65.8	Low	67.2	Low	29 Å²	29	50.9 Å²	50.9	20%	0.203	26%	0.263	C	S	.	.	H	α-helix	trans	-72.2	-34.1	177.9	-65.3	0	0	0	0	112.4	L273 I274 L280	L273-S276 PolarHBondContact O-N 2.95Å; L273-S276 VanDerWaalsContact O-N 3.1Å; I274-S276 VanDerWaalsContact C-N 3.32Å; I274-S276 PolarHBondContact O-N 2.96Å; S276-L280 PolarHBondContact O-N 3.26Å
277	V	63.3	Low	66.5	Low	34 Å²	34	52.1 Å²	52.1	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-75.4	-38.5	176.5	173	0	0	0	0	111.2	M209 L273 I274 L280 R281	M209-V277 HydrophobicContact CE-CG2 4.49Å; L273-V277 HydrophobicContact CD2-CG2 4.21Å; L273-V277 WeakPolarHBondContact O-CG2 3.48Å; L273-V277 PolarHBondContact O-N 3.29Å; I274-V277 PolarHBondContact O-N 2.95Å; V277-L280 WeakPolarHBondContact O-CB 3.31Å; V277-L280 PolarHBondContact O-N 2.94Å; V277-R281 PolarHBondContact O-N 3.37Å
278	D	63.4	Low	65.4	Low	56 Å²	56	48.2 Å²	48.2	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-41.3	175.1	-74.3	-28.9	0	0	0	111.8	I274 R281 E282	I274-D278 WeakPolarHBondContact CG2-OD2 3.4Å; I274-D278 WeakPolarHBondContact O-CB 3.37Å; I274-D278 VanDerWaalsContact O-CG 3.3Å; I274-D278 PolarHBondContact O-N 3.21Å; D278-R281 WeakPolarHBondContact O-CB 3.49Å; D278-R281 PolarHBondContact O-N 3.06Å; D278-R281 IonicContact OD1-CZ 3.74Å; D278-R281 IonicContact OD1-NH1 3.47Å; D278-R281 PolarHBondContact OD1-NH1 3.26Å; D278-R281 IonicContact OD1-NH2 3.36Å; D278-R281 PolarHBondContact OD1-NH2 3.06Å; D278-E282 PolarHBondContact O-N 2.94Å
279	Y	66.3	Low	64.5	Low	124 Å²	124	50.9 Å²	50.9	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.6	179.4	-89.7	0	0	0	112.7	S275 R281 E282 S283	S275-Y279 PolarHBondContact O-N 3.37Å; S275-Y279 VanDerWaalsContact O-N 3.16Å; Y279-R281 VanDerWaalsContact C-N 3.26Å; Y279-R281 PolarHBondContact O-N 2.91Å; Y279-E282 PolarHBondContact O-N 3.39Å; Y279-S283 WeakPolarHBondContact O-CB 3.23Å; Y279-S283 PolarHBondContact O-N 2.84Å
280	L	58.8	Low	63.9	Low	10 Å²	10	59 Å²	59	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-39.9	175.1	-90.4	163.4	0	0	0	111.6	I201 K205 M209 S276 V277 F284 F384	I201-L280 HydrophobicContact CB-CD2 4.5Å; I201-L280 HydrophobicContact CG2-CD2 3.48Å; I201-L280 VanDerWaalsContact CG2-CD2 3.48Å; K205-L280 HydrophobicContact CB-CD1 4.01Å; K205-L280 HydrophobicContact CB-CD2 4.5Å; K205-L280 HydrophobicContact CG-CD1 3.99Å; K205-L280 HydrophobicContact CG-CD2 3.94Å; K205-L280 HydrophobicContact CG-CG 4Å; M209-L280 HydrophobicContact CE-CD1 3.9Å; S276-L280 PolarHBondContact O-N 3.26Å; V277-L280 WeakPolarHBondContact O-CB 3.31Å; V277-L280 PolarHBondContact O-N 2.94Å; L280-F284 VanDerWaalsContact O-CB 3.3Å; L280-F284 WeakPolarHBondContact O-CB 3.41Å; L280-F284 PolarHBondContact O-N 2.58Å; L280-F384 HydrophobicContact CD2-CE1 4.41Å; L280-F384 HydrophobicContact CD2-CZ 4.32Å
281	R	60.8	Low	63.1	Low	85 Å²	85	61.4 Å²	61.4	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-51.9	176.4	-179.1	-169.3	68.9	-135.3	-5.3	111.7	V277 D278 Y279 S283 F284 V285	V277-R281 PolarHBondContact O-N 3.37Å; D278-R281 WeakPolarHBondContact O-CB 3.49Å; D278-R281 PolarHBondContact O-N 3.06Å; D278-R281 IonicContact OD1-CZ 3.74Å; D278-R281 IonicContact OD1-NH1 3.47Å; D278-R281 PolarHBondContact OD1-NH1 3.26Å; D278-R281 IonicContact OD1-NH2 3.36Å; D278-R281 PolarHBondContact OD1-NH2 3.06Å; Y279-R281 VanDerWaalsContact C-N 3.26Å; Y279-R281 PolarHBondContact O-N 2.91Å; R281-S283 VanDerWaalsContact C-N 3.32Å; R281-S283 PolarHBondContact O-N 3.4Å; R281-F284 WeakPolarHBondContact O-CB 3.31Å; R281-F284 PolarHBondContact O-N 2.8Å; R281-F284 VanDerWaalsContact O-N 3.16Å; R281-V285 HydrophobicContact CG-CG2 4.24Å; R281-V285 WeakPolarHBondContact O-CG2 3.3Å; R281-V285 PolarHBondContact O-N 3.09Å
282	E	64	Low	62.2	Low	132 Å²	132	57.4 Å²	57.4	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-63	-39.2	-178.1	-74.3	-174.8	178.5	0	0	112.3	D278 Y279 F284 G286	D278-E282 PolarHBondContact O-N 2.94Å; Y279-E282 PolarHBondContact O-N 3.39Å; E282-F284 VanDerWaalsContact C-N 3.34Å; E282-F284 PolarHBondContact O-N 3.16Å; E282-G286 PolarHBondContact O-N 3.26Å
283	S	59.1	Low	61.5	Low	39 Å²	39	58.2 Å²	58.2	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-36.3	175.1	-174.2	0	0	0	0	112.4	Y279 R281 T287	Y279-S283 WeakPolarHBondContact O-CB 3.23Å; Y279-S283 PolarHBondContact O-N 2.84Å; R281-S283 VanDerWaalsContact C-N 3.32Å; R281-S283 PolarHBondContact O-N 3.4Å; S283-T287 WeakPolarHBondContact O-CB 3.3Å; S283-T287 PolarHBondContact O-N 3.41Å; S283-T287 PolarHBondContact O-OG1 2.71Å
284	F	57.2	Low	61.1	Low	36 Å²	36	61.3 Å²	61.3	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-56.6	175.7	171.2	-104.5	0	0	0	111.7	L198 L280 R281 E282 T287 L288 L388	L198-F284 HydrophobicContact CD1-CD2 3.25Å; L198-F284 HydrophobicContact CD1-CE2 3.31Å; L198-F284 HydrophobicContact CD2-CB 4.13Å; L198-F284 HydrophobicContact CD2-CD2 3.56Å; L198-F284 HydrophobicContact CD2-CE2 4.49Å; L198-F284 HydrophobicContact CD2-CG 4.34Å; L198-F284 HydrophobicContact CG-CD2 3.97Å; L198-F284 HydrophobicContact CG-CE2 4.46Å; L280-F284 VanDerWaalsContact O-CB 3.3Å; L280-F284 WeakPolarHBondContact O-CB 3.41Å; L280-F284 PolarHBondContact O-N 2.58Å; R281-F284 WeakPolarHBondContact O-CB 3.31Å; R281-F284 PolarHBondContact O-N 2.8Å; R281-F284 VanDerWaalsContact O-N 3.16Å; E282-F284 VanDerWaalsContact C-N 3.34Å; E282-F284 PolarHBondContact O-N 3.16Å; F284-T287 PolarHBondContact O-N 3.33Å; F284-L288 WeakPolarHBondContact O-CB 3.4Å; F284-L288 PolarHBondContact O-N 2.71Å; F284-L388 HydrophobicContact CE2-CD2 4.25Å
285	V	57.8	Low	60.4	Low	31 Å²	31	60.3 Å²	60.3	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-48.6	-176.1	175.2	0	0	0	0	110.7	R281 T287 L288 E289	R281-V285 HydrophobicContact CG-CG2 4.24Å; R281-V285 WeakPolarHBondContact O-CG2 3.3Å; R281-V285 PolarHBondContact O-N 3.09Å; V285-T287 VanDerWaalsContact C-N 3.26Å; V285-T287 PolarHBondContact O-N 3.3Å; V285-L288 PolarHBondContact O-N 3.08Å; V285-E289 HydrophobicContact CG1-CG 4.25Å; V285-E289 WeakPolarHBondContact O-CB 3.36Å; V285-E289 WeakPolarHBondContact O-CG 3.39Å; V285-E289 PolarHBondContact O-N 2.77Å
286	G	62.7	Low	59.8	Low	12 Å²	12	61.7 Å²	61.7	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-24.5	-178.6	0	0	0	0	0	114.2	E282 R290	E282-G286 PolarHBondContact O-N 3.26Å; G286-R290 VanDerWaalsContact O-CG 3.31Å; G286-R290 WeakPolarHBondContact O-CG 3.42Å; G286-R290 PolarHBondContact O-N 3.44Å; G286-R290 PolarHBondContact O-NE 3.47Å; G286-R290 PolarHBondContact O-NH1 2.99Å
287	T	62.1	Low	59.4	Low	47 Å²	47	67 Å²	67	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-79.3	-41.8	174.3	-54.6	0	0	0	0	110.9	L194 S283 F284 V285 R290 C291	L194-T287 HydrophobicContact CD1-CG2 3.77Å; S283-T287 WeakPolarHBondContact O-CB 3.3Å; S283-T287 PolarHBondContact O-N 3.41Å; S283-T287 PolarHBondContact O-OG1 2.71Å; F284-T287 PolarHBondContact O-N 3.33Å; V285-T287 VanDerWaalsContact C-N 3.26Å; V285-T287 PolarHBondContact O-N 3.3Å; T287-R290 PolarHBondContact O-N 2.65Å; T287-C291 PolarHBondContact O-N 2.88Å; T287-C291 VanDerWaalsContact O-N 3.11Å
288	L	56.1	Low	58.8	Low	26 Å²	26	69.3 Å²	69.3	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-48.1	175.7	-173	77.2	0	0	0	111.2	L194 F284 V285 R290 C291 L292 A319	L194-L288 HydrophobicContact CD2-CD1 3.44Å; L194-L288 VanDerWaalsContact CD2-CD1 3.44Å; F284-L288 WeakPolarHBondContact O-CB 3.4Å; F284-L288 PolarHBondContact O-N 2.71Å; V285-L288 PolarHBondContact O-N 3.08Å; L288-R290 PolarHBondContact O-N 3.36Å; L288-C291 PolarHBondContact O-N 3.47Å; L288-L292 HydrophobicContact CD2-CD1 4.34Å; L288-L292 HydrophobicContact CG-CD1 3.88Å; L288-L292 WeakPolarHBondContact O-CB 3.39Å; L288-L292 VanDerWaalsContact O-CG 3.29Å; L288-L292 WeakPolarHBondContact O-CG 3.5Å; L288-L292 PolarHBondContact O-N 2.86Å; L288-A319 HydrophobicContact CD2-CB 4.45Å
289	E	59.4	Low	58.2	Low	81 Å²	81	70.4 Å²	70.4	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-44.8	178	-76.2	178.2	157.5	0	0	112.3	V285 C291 L292 E293	V285-E289 HydrophobicContact CG1-CG 4.25Å; V285-E289 WeakPolarHBondContact O-CB 3.36Å; V285-E289 WeakPolarHBondContact O-CG 3.39Å; V285-E289 PolarHBondContact O-N 2.77Å; E289-C291 PolarHBondContact O-N 3.27Å; E289-L292 PolarHBondContact O-N 3.22Å; E289-E293 WeakPolarHBondContact O-CB 3.43Å; E289-E293 PolarHBondContact O-N 3.46Å
290	R	63.1	Low	57.1	Low	169 Å²	169	73.4 Å²	73.4	64%	0.638	37%	0.367	S	S	*	.	H	α-helix	trans	-66	-38.6	178	-72.6	-177.4	-134.7	113	2.4	112.9	G286 T287 L288 S294	G286-R290 VanDerWaalsContact O-CG 3.31Å; G286-R290 WeakPolarHBondContact O-CG 3.42Å; G286-R290 PolarHBondContact O-N 3.44Å; G286-R290 PolarHBondContact O-NE 3.47Å; G286-R290 PolarHBondContact O-NH1 2.99Å; T287-R290 PolarHBondContact O-N 2.65Å; L288-R290 PolarHBondContact O-N 3.36Å; R290-S294 WeakPolarHBondContact O-CB 3.23Å; R290-S294 PolarHBondContact O-N 3.35Å; R290-S294 VanDerWaalsContact O-N 3.11Å
291	C	55.4	Low	56.1	Low	53 Å²	53	78.8 Å²	78.8	36%	0.358	40%	0.395	S	S	.	.	H	α-helix	trans	-65.2	-41.1	174.4	-77.8	0	0	0	0	111.5	T287 L288 E289 S294 L295	T287-C291 PolarHBondContact O-N 2.88Å; T287-C291 VanDerWaalsContact O-N 3.11Å; L288-C291 PolarHBondContact O-N 3.47Å; E289-C291 PolarHBondContact O-N 3.27Å; C291-S294 WeakPolarHBondContact O-CB 3.38Å; C291-S294 PolarHBondContact O-N 3.19Å; C291-L295 WeakPolarHBondContact O-CG 3.48Å; C291-L295 PolarHBondContact O-N 2.96Å; C291-L295 VanDerWaalsContact O-N 3.1Å
292	L	54.8	Low	55.1	Low	30 Å²	30	78 Å²	78	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-67.1	-44.4	177.9	-74.5	170.4	0	0	0	112.3	L288 E289 S294 L295 E296 L316 Y320	L288-L292 HydrophobicContact CD2-CD1 4.34Å; L288-L292 HydrophobicContact CG-CD1 3.88Å; L288-L292 WeakPolarHBondContact O-CB 3.39Å; L288-L292 VanDerWaalsContact O-CG 3.29Å; L288-L292 WeakPolarHBondContact O-CG 3.5Å; L288-L292 PolarHBondContact O-N 2.86Å; E289-L292 PolarHBondContact O-N 3.22Å; L292-S294 VanDerWaalsContact C-N 3.26Å; L292-S294 PolarHBondContact O-N 3.26Å; L292-L295 WeakPolarHBondContact O-CB 3.3Å; L292-L295 PolarHBondContact O-N 3.27Å; L292-E296 PolarHBondContact O-N 3.28Å; L292-L316 HydrophobicContact CD1-CD1 3.78Å; L292-L316 HydrophobicContact CD1-CG 4.09Å; L292-L316 HydrophobicContact CD2-CD1 3.38Å; L292-L316 HydrophobicContact CD2-CG 4.48Å; L292-L316 HydrophobicContact CG-CD1 4.07Å; L292-Y320 HydrophobicContact CD1-CE2 4.29Å
293	E	59.5	Low	54	Low	101 Å²	101	77.9 Å²	77.9	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-35.3	174.1	-81.5	-166.8	-164.2	0	0	112.5	E289 E296 K297	E289-E293 WeakPolarHBondContact O-CB 3.43Å; E289-E293 PolarHBondContact O-N 3.46Å; E293-E296 PolarHBondContact O-N 3.12Å; E293-K297 VanDerWaalsContact O-CB 3.31Å; E293-K297 WeakPolarHBondContact O-CB 3.32Å; E293-K297 WeakPolarHBondContact O-CG 3.3Å; E293-K297 PolarHBondContact O-N 3.43Å; E293-K297 IonicContact OE2-NZ 2.75Å; E293-K297 PolarHBondContact OE2-NZ 3.17Å
294	S	58.6	Low	53.3	Low	65 Å²	65	80 Å²	80	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-66.1	-41.9	175.5	-172.3	0	0	0	0	111.8	R290 C291 L292 E296 K297 S298	R290-S294 WeakPolarHBondContact O-CB 3.23Å; R290-S294 PolarHBondContact O-N 3.35Å; R290-S294 VanDerWaalsContact O-N 3.11Å; C291-S294 WeakPolarHBondContact O-CB 3.38Å; C291-S294 PolarHBondContact O-N 3.19Å; L292-S294 VanDerWaalsContact C-N 3.26Å; L292-S294 PolarHBondContact O-N 3.26Å; S294-E296 VanDerWaalsContact C-N 3.33Å; S294-E296 PolarHBondContact O-N 3.29Å; S294-K297 PolarHBondContact O-N 3.09Å; S294-S298 PolarHBondContact O-N 2.93Å; S294-S298 VanDerWaalsContact O-N 3.07Å; S294-S298 PolarHBondContact O-OG 3.19Å
295	L	52.5	Low	53.1	Low	31 Å²	31	80.2 Å²	80.2	16%	0.162	44%	0.438	C	S	.	.	H	α-helix	trans	-63.9	-36.2	174.4	-75	163.9	0	0	0	112	Y186 C291 L292 S298 N299	Y186-L295 HydrophobicContact CD1-CD2 4.02Å; Y186-L295 HydrophobicContact CE1-CD2 3.77Å; C291-L295 WeakPolarHBondContact O-CG 3.48Å; C291-L295 PolarHBondContact O-N 2.96Å; C291-L295 VanDerWaalsContact O-N 3.1Å; L292-L295 WeakPolarHBondContact O-CB 3.3Å; L292-L295 PolarHBondContact O-N 3.27Å; L295-S298 PolarHBondContact O-OG 3.44Å; L295-N299 PolarHBondContact O-ND2 3.5Å; L295-N299 VanDerWaalsContact O-ND2 3.13Å
296	E	56	Low	52.7	Low	104 Å²	104	85 Å²	85	49%	0.486	46%	0.463	S	S	.	.	H	α-helix	trans	-75	-41	175	-72.3	-168.1	155.7	0	0	113.1	L292 E293 S294 S298 N299	L292-E296 PolarHBondContact O-N 3.28Å; E293-E296 PolarHBondContact O-N 3.12Å; S294-E296 VanDerWaalsContact C-N 3.33Å; S294-E296 PolarHBondContact O-N 3.29Å; E296-S298 VanDerWaalsContact C-N 3.32Å; E296-S298 PolarHBondContact O-N 2.89Å; E296-N299 WeakPolarHBondContact O-CB 3.4Å; E296-N299 PolarHBondContact O-N 3.32Å; E296-N299 VanDerWaalsContact O-N 3.17Å
297	K	55.8	Low	52.1	Low	140 Å²	140	88.3 Å²	88.3	61%	0.609	48%	0.48	S	S	*	.	H	α-helix	trans	-69.5	-26.5	-179.7	-78.2	167.9	179.1	156.2	0	113.3	E293 S294 N299	E293-K297 VanDerWaalsContact O-CB 3.31Å; E293-K297 WeakPolarHBondContact O-CB 3.32Å; E293-K297 WeakPolarHBondContact O-CG 3.3Å; E293-K297 PolarHBondContact O-N 3.43Å; E293-K297 IonicContact OE2-NZ 2.75Å; E293-K297 PolarHBondContact OE2-NZ 3.17Å; S294-K297 PolarHBondContact O-N 3.09Å; K297-N299 PolarHBondContact O-N 3.21Å
298	S	51.3	Low	51.7	Low	84 Å²	84	87.2 Å²	87.2	59%	0.587	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-3.3	172.5	63.8	0	0	0	0	114.4	S294 L295 E296	S294-S298 PolarHBondContact O-N 2.93Å; S294-S298 VanDerWaalsContact O-N 3.07Å; S294-S298 PolarHBondContact O-OG 3.19Å; L295-S298 PolarHBondContact O-OG 3.44Å; E296-S298 VanDerWaalsContact C-N 3.32Å; E296-S298 PolarHBondContact O-N 2.89Å
299	N	51.9	Low	51.6	Low	79 Å²	79	88.4 Å²	88.4	42%	0.422	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	15.3	-179.7	-71.8	-43.2	0	0	0	115.8	L295 E296 K297 D301	L295-N299 PolarHBondContact O-ND2 3.5Å; L295-N299 VanDerWaalsContact O-ND2 3.13Å; E296-N299 WeakPolarHBondContact O-CB 3.4Å; E296-N299 PolarHBondContact O-N 3.32Å; E296-N299 VanDerWaalsContact O-N 3.17Å; K297-N299 PolarHBondContact O-N 3.21Å; N299-D301 VanDerWaalsContact C-N 3.25Å; N299-D301 PolarHBondContact O-N 3.48Å
300	F	41.6	Very low	51.2	Low	187 Å²	187	86.9 Å²	86.9	82%	0.82	49%	0.485	S	S	*	.			trans	-79.2	74.7	168.8	-89.9	-87.3	0	0	0	110.8
301	D	38.3	Very low	50.7	Low	122 Å²	122	82.4 Å²	82.4	65%	0.652	47%	0.471	S	S	*	.	S	Bend	trans	-170	112.3	145	-96.2	-22.3	0	0	0	112.8	N299	N299-D301 VanDerWaalsContact C-N 3.25Å; N299-D301 PolarHBondContact O-N 3.48Å
302	S	40.5	Very low	50.8	Low	70 Å²	70	82 Å²	82	49%	0.49	47%	0.466	S	S	.	.			trans	78.5	145.4	159.7	72.2	0	0	0	0	120.9	R175 A304	R175-S302 PolarHBondContact NH1-OG 3.17Å; S302-A304 PolarHBondContact O-N 2.88Å; S302-A304 VanDerWaalsContact O-N 3.1Å
303	S	40.1	Very low	50.9	Low	129 Å²	129	86.2 Å²	86.2	90%	0.902	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	25.9	-151.5	51.8	0	0	0	0	117.6
304	A	44.4	Very low	50.8	Low	83 Å²	83	87.4 Å²	87.4	69%	0.686	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	5.9	-174.5	0	0	0	0	0	115.7	S302	S302-A304 PolarHBondContact O-N 2.88Å; S302-A304 VanDerWaalsContact O-N 3.1Å
305	H	52.8	Low	50.6	Low	41 Å²	41	85.4 Å²	85.4	19%	0.19	47%	0.472	C	S	.	.			trans	-110.6	19.5	-161.8	-69.3	-51	0	0	0	117.5	R183 V307 T308 S309	R183-H305 PolarHBondContact NH1-CE1 3.01Å; R183-H305 PolarHBondContact NH1-NE2 3.48Å; H305-V307 VanDerWaalsContact C-N 3.29Å; H305-V307 PolarHBondContact O-N 3.05Å; H305-T308 PolarHBondContact O-N 2.82Å; H305-S309 PolarHBondContact O-N 3.28Å
306	N	50.7	Low	50.7	Low	132 Å²	132	85.6 Å²	85.6	71%	0.706	47%	0.473	S	S	*	.	H	α-helix	trans	-62.1	-32.4	-176.4	-72.2	-14	0	0	0	113.9	S309 A310	N306-S309 PolarHBondContact O-OG 3.37Å; N306-A310 WeakPolarHBondContact O-CB 3.34Å; N306-A310 PolarHBondContact O-N 2.91Å; N306-A310 VanDerWaalsContact O-N 3.11Å
307	V	50.1	Low	50.8	Low	80 Å²	80	85.6 Å²	85.6	49%	0.485	48%	0.476	S	S	.	.	H	α-helix	trans	-69.6	-45.2	-176.4	-177.8	0	0	0	0	112.1	H305 S309 A310 H311	H305-V307 VanDerWaalsContact C-N 3.29Å; H305-V307 PolarHBondContact O-N 3.05Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.27Å; V307-A310 PolarHBondContact O-N 2.97Å; V307-H311 PolarHBondContact O-N 3.41Å
308	T	51.7	Low	50.7	Low	24 Å²	24	81.3 Å²	81.3	15%	0.147	47%	0.467	C	S	.	.	H	α-helix	trans	-66	-38.2	179	-38.7	0	0	0	0	110.9	H305 H311 L312	H305-T308 PolarHBondContact O-N 2.82Å; T308-H311 PolarHBondContact O-N 3.08Å; T308-L312 WeakPolarHBondContact O-CB 3.29Å; T308-L312 PolarHBondContact O-N 3.41Å
309	S	55.3	Low	50.8	Low	52 Å²	52	78.3 Å²	78.3	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-36.9	176.9	81.7	0	0	0	0	113.2	H305 N306 V307 K313	H305-S309 PolarHBondContact O-N 3.28Å; N306-S309 PolarHBondContact O-OG 3.37Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.27Å; S309-K313 WeakPolarHBondContact O-CB 3.41Å; S309-K313 WeakPolarHBondContact O-CG 3.46Å; S309-K313 PolarHBondContact O-N 2.93Å
310	A	51.4	Low	50.7	Low	48 Å²	48	77.5 Å²	77.5	40%	0.397	44%	0.439	S	S	.	.	H	α-helix	trans	-70.4	-36.4	-180	0	0	0	0	0	112	N306 V307 K313 Q314	N306-A310 WeakPolarHBondContact O-CB 3.34Å; N306-A310 PolarHBondContact O-N 2.91Å; N306-A310 VanDerWaalsContact O-N 3.11Å; V307-A310 PolarHBondContact O-N 2.97Å; A310-K313 WeakPolarHBondContact O-CB 3.37Å; A310-K313 PolarHBondContact O-N 2.67Å; A310-Q314 PolarHBondContact O-N 3.33Å
311	H	52.8	Low	51	Low	75 Å²	75	75 Å²	75	35%	0.347	43%	0.43	S	S	.	.	H	α-helix	trans	-79.1	-34	175.4	-68.9	-33.1	0	0	0	112.7	V307 T308 K313 Q314 L315 L402	V307-H311 PolarHBondContact O-N 3.41Å; T308-H311 PolarHBondContact O-N 3.08Å; H311-K313 PolarHBondContact O-N 2.97Å; H311-Q314 PolarHBondContact ND1-OE1 2.86Å; H311-Q314 PolarHBondContact O-N 3.49Å; H311-Q314 VanDerWaalsContact O-N 3.11Å; H311-L315 PolarHBondContact O-N 3.28Å; H311-L402 HydrophobicContact CB-CD1 3.95Å
312	L	56.4	Low	51.3	Low	46 Å²	46	70.4 Å²	70.4	24%	0.241	41%	0.406	C	S	.	.	H	α-helix	trans	-57.9	-39.3	168.1	-129.4	106.9	0	0	0	110.9	T308 L315 L316	T308-L312 WeakPolarHBondContact O-CB 3.29Å; T308-L312 PolarHBondContact O-N 3.41Å; L312-L315 WeakPolarHBondContact O-CB 3.45Å; L312-L315 PolarHBondContact O-N 3.46Å; L312-L316 WeakPolarHBondContact O-CB 3.37Å; L312-L316 PolarHBondContact O-N 2.76Å
313	K	56.9	Low	51.4	Low	118 Å²	118	71 Å²	71	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-36.6	173.3	-80.8	178.4	176.8	-179.1	0	113.9	S309 A310 H311 L316 N317	S309-K313 WeakPolarHBondContact O-CB 3.41Å; S309-K313 WeakPolarHBondContact O-CG 3.46Å; S309-K313 PolarHBondContact O-N 2.93Å; A310-K313 WeakPolarHBondContact O-CB 3.37Å; A310-K313 PolarHBondContact O-N 2.67Å; H311-K313 PolarHBondContact O-N 2.97Å; K313-L316 WeakPolarHBondContact O-CB 3.48Å; K313-L316 PolarHBondContact O-N 2.94Å; K313-N317 PolarHBondContact O-N 2.93Å
314	Q	56.8	Low	51.5	Low	125 Å²	125	69.1 Å²	69.1	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-68.6	-38.2	173.1	-77.2	179.3	-38.9	0	0	112.1	A310 H311 L316 N317 A318	A310-Q314 PolarHBondContact O-N 3.33Å; H311-Q314 PolarHBondContact ND1-OE1 2.86Å; H311-Q314 PolarHBondContact O-N 3.49Å; H311-Q314 VanDerWaalsContact O-N 3.11Å; Q314-L316 VanDerWaalsContact C-N 3.3Å; Q314-N317 PolarHBondContact O-N 2.63Å; Q314-A318 PolarHBondContact O-N 3.11Å; Q314-A318 VanDerWaalsContact O-N 3.16Å
315	L	55.9	Low	51.5	Low	24 Å²	24	68.7 Å²	68.7	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-64	-38.2	172.9	-127	138.4	0	0	0	111.2	H311 L312 A318 A319 F395	H311-L315 PolarHBondContact O-N 3.28Å; L312-L315 WeakPolarHBondContact O-CB 3.45Å; L312-L315 PolarHBondContact O-N 3.46Å; L315-A318 PolarHBondContact O-N 2.89Å; L315-A319 PolarHBondContact O-N 2.71Å; L315-A319 VanDerWaalsContact O-N 3.13Å; L315-F395 HydrophobicContact CD2-CD2 3.16Å; L315-F395 HydrophobicContact CD2-CE2 3.12Å; L315-F395 HydrophobicContact CD2-CG 3.94Å; L315-F395 HydrophobicContact CD2-CZ 3.87Å
316	L	54.6	Low	51.2	Low	34 Å²	34	70.1 Å²	70.1	18%	0.178	38%	0.379	C	S	.	.	H	α-helix	trans	-55.5	-52.8	169.8	-131.9	95.1	0	0	0	110.9	L292 L312 K313 Q314 A318 A319 Y320	L292-L316 HydrophobicContact CD1-CD1 3.78Å; L292-L316 HydrophobicContact CD1-CG 4.09Å; L292-L316 HydrophobicContact CD2-CD1 3.38Å; L292-L316 HydrophobicContact CD2-CG 4.48Å; L292-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.37Å; L312-L316 PolarHBondContact O-N 2.76Å; K313-L316 WeakPolarHBondContact O-CB 3.48Å; K313-L316 PolarHBondContact O-N 2.94Å; Q314-L316 VanDerWaalsContact C-N 3.3Å; L316-A318 VanDerWaalsContact C-N 3.25Å; L316-A318 PolarHBondContact O-N 3.37Å; L316-A319 PolarHBondContact O-N 3.45Å; L316-Y320 HydrophobicContact CB-CD2 4.36Å; L316-Y320 HydrophobicContact CD2-CD2 3.99Å; L316-Y320 HydrophobicContact CD2-CE2 3.53Å; L316-Y320 HydrophobicContact CG-CD2 3.95Å; L316-Y320 HydrophobicContact CG-CE2 3.7Å; L316-Y320 WeakPolarHBondContact O-CD2 3.45Å; L316-Y320 PolarHBondContact O-N 3.48Å
317	N	57.3	Low	50.8	Low	104 Å²	104	69.6 Å²	69.6	56%	0.556	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-33.5	-179	-82.9	-12.2	0	0	0	112.8	K313 Q314 H321	K313-N317 PolarHBondContact O-N 2.93Å; Q314-N317 PolarHBondContact O-N 2.63Å; N317-H321 WeakPolarHBondContact O-CB 3.41Å; N317-H321 PolarHBondContact O-CD2 3.38Å; N317-H321 PolarHBondContact O-N 3.37Å
318	A	54.1	Low	50.8	Low	51 Å²	51	68.5 Å²	68.5	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-39.5	174.4	0	0	0	0	0	112.2	Q314 L315 L316 H321	Q314-A318 PolarHBondContact O-N 3.11Å; Q314-A318 VanDerWaalsContact O-N 3.16Å; L315-A318 PolarHBondContact O-N 2.89Å; L316-A318 VanDerWaalsContact C-N 3.25Å; L316-A318 PolarHBondContact O-N 3.37Å; A318-H321 PolarHBondContact O-N 3.47Å
319	A	52.5	Low	50.7	Low	21 Å²	21	69.7 Å²	69.7	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-68.9	-39.9	174.1	0	0	0	0	0	112.2	L288 L315 L316 H321 V322	L288-A319 HydrophobicContact CD2-CB 4.45Å; L315-A319 PolarHBondContact O-N 2.71Å; L315-A319 VanDerWaalsContact O-N 3.13Å; L316-A319 PolarHBondContact O-N 3.45Å; A319-H321 VanDerWaalsContact C-N 3.33Å; A319-H321 PolarHBondContact O-N 3.15Å; A319-V322 WeakPolarHBondContact O-CB 3.3Å; A319-V322 VanDerWaalsContact O-CG2 3.31Å; A319-V322 WeakPolarHBondContact O-CG2 3.32Å; A319-V322 PolarHBondContact O-N 2.84Å
320	Y	50.3	Low	50.6	Low	62 Å²	62	71 Å²	71	24%	0.243	39%	0.393	C	S	.	.	H	α-helix	trans	-70.5	-23.8	174.8	-82	-76.5	0	0	0	112.9	L292 L316 V322 E323	L292-Y320 HydrophobicContact CD1-CE2 4.29Å; L316-Y320 HydrophobicContact CB-CD2 4.36Å; L316-Y320 HydrophobicContact CD2-CD2 3.99Å; L316-Y320 HydrophobicContact CD2-CE2 3.53Å; L316-Y320 HydrophobicContact CG-CD2 3.95Å; L316-Y320 HydrophobicContact CG-CE2 3.7Å; L316-Y320 WeakPolarHBondContact O-CD2 3.45Å; L316-Y320 PolarHBondContact O-N 3.48Å; Y320-V322 PolarHBondContact O-N 2.9Å; Y320-V322 VanDerWaalsContact O-N 3.09Å; Y320-E323 WeakPolarHBondContact CD1-OE2 3.24Å; Y320-E323 WeakPolarHBondContact O-CA 3.42Å; Y320-E323 WeakPolarHBondContact O-CB 3.47Å; Y320-E323 PolarHBondContact O-N 3.17Å
321	H	47.5	Very low	50.9	Low	135 Å²	135	71.1 Å²	71.1	63%	0.625	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.6	170.9	-96.5	-59.6	0	0	0	113.6	N317 A318 A319 E323	N317-H321 WeakPolarHBondContact O-CB 3.41Å; N317-H321 PolarHBondContact O-CD2 3.38Å; N317-H321 PolarHBondContact O-N 3.37Å; A318-H321 PolarHBondContact O-N 3.47Å; A319-H321 VanDerWaalsContact C-N 3.33Å; A319-H321 PolarHBondContact O-N 3.15Å; H321-E323 VanDerWaalsContact C-N 3.31Å
322	V	45.6	Very low	51.2	Low	25 Å²	25	68.9 Å²	68.9	15%	0.152	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-36.2	169.3	-178.8	0	0	0	0	110.9	A319 Y320 V324 T325 F326	A319-V322 WeakPolarHBondContact O-CB 3.3Å; A319-V322 VanDerWaalsContact O-CG2 3.31Å; A319-V322 WeakPolarHBondContact O-CG2 3.32Å; A319-V322 PolarHBondContact O-N 2.84Å; Y320-V322 PolarHBondContact O-N 2.9Å; Y320-V322 VanDerWaalsContact O-N 3.09Å; V322-V324 PolarHBondContact O-N 3.34Å; V322-T325 PolarHBondContact O-N 2.96Å; V322-T325 PolarHBondContact O-OG1 3.01Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CE2 3.65Å; V322-F326 VanDerWaalsContact O-CD2 3.22Å; V322-F326 WeakPolarHBondContact O-CD2 3.1Å
323	E	42.6	Very low	51.4	Low	81 Å²	81	68.7 Å²	68.7	38%	0.379	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-55.6	-46	-179.7	-159.6	179.8	-161.8	0	0	112.4	Y320 H321 T325 F326	Y320-E323 WeakPolarHBondContact CD1-OE2 3.24Å; Y320-E323 WeakPolarHBondContact O-CA 3.42Å; Y320-E323 WeakPolarHBondContact O-CB 3.47Å; Y320-E323 PolarHBondContact O-N 3.17Å; H321-E323 VanDerWaalsContact C-N 3.31Å; E323-T325 VanDerWaalsContact C-N 3.25Å; E323-T325 PolarHBondContact O-N 3.11Å; E323-T325 VanDerWaalsContact O-N 3.17Å; E323-F326 PolarHBondContact O-N 3.48Å
324	V	41.9	Very low	51.8	Low	90 Å²	90	70 Å²	70	55%	0.545	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-66.9	-23.5	-171.2	-178.2	0	0	0	0	113.1	V322	V322-V324 PolarHBondContact O-N 3.34Å
325	T	43.5	Very low	52.1	Low	75 Å²	75	66.5 Å²	66.5	46%	0.46	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-93	-8.7	-174.4	59	0	0	0	0	115.1	V322 E323 K387	V322-T325 PolarHBondContact O-N 2.96Å; V322-T325 PolarHBondContact O-OG1 3.01Å; E323-T325 VanDerWaalsContact C-N 3.25Å; E323-T325 PolarHBondContact O-N 3.11Å; E323-T325 VanDerWaalsContact O-N 3.17Å; T325-K387 PolarHBondContact OG1-NZ 3.42Å
326	F	48	Very low	52.6	Low	71 Å²	71	65.3 Å²	65.3	31%	0.311	37%	0.368	S	S	.	.	S	Bend	trans	-97.7	-1.4	176.3	-68.2	-77.2	0	0	0	113.5	V322 E323 S328 K387	V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CE2 3.65Å; V322-F326 VanDerWaalsContact O-CD2 3.22Å; V322-F326 WeakPolarHBondContact O-CD2 3.1Å; E323-F326 PolarHBondContact O-N 3.48Å; F326-S328 PolarHBondContact O-N 3.43Å; F326-K387 HydrophobicContact CE2-CD 4.44Å; F326-K387 HydrophobicContact CZ-CD 3.94Å; F326-K387 HydrophobicContact CZ-CG 4.27Å
327	H	42.5	Very low	53.4	Low	120 Å²	120	66.3 Å²	66.3	56%	0.556	37%	0.37	S	S	*	.			trans	-73.2	14.5	-177.3	-70.2	-25.2	0	0	0	116.3
328	S	48.3	Very low	54	Low	58 Å²	58	65.3 Å²	65.3	41%	0.406	36%	0.362	S	S	.	.			trans	-127.7	103.4	179.1	-52.2	0	0	0	0	109.9	F326 S330 S331	F326-S328 PolarHBondContact O-N 3.43Å; S328-S330 PolarHBondContact O-N 3.46Å; S328-S331 PolarHBondContact O-N 3.03Å; S328-S331 PolarHBondContact O-OG 3.02Å; S328-S331 VanDerWaalsContact O-OG 3.11Å
329	G	50.5	Low	54.8	Low	48 Å²	48	64.8 Å²	64.8	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-53.1	-16.2	166	0	0	0	0	0	113.1	T333	G329-T333 WeakPolarHBondContact O-CG2 3.47Å; G329-T333 PolarHBondContact O-N 3.05Å; G329-T333 PolarHBondContact O-OG1 3.03Å
330	S	53.3	Low	55.6	Low	79 Å²	79	63.8 Å²	63.8	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-69.3	-23.2	170	82	0	0	0	0	114.7	S328 T333 K334	S328-S330 PolarHBondContact O-N 3.46Å; S330-T333 VanDerWaalsContact C-OG1 3.31Å; S330-T333 VanDerWaalsContact CA-OG1 3.24Å; S330-T333 WeakPolarHBondContact CA-OG1 3.14Å; S330-T333 PolarHBondContact O-OG1 3.2Å; S330-T333 VanDerWaalsContact O-OG1 3.13Å; S330-K334 WeakPolarHBondContact O-CB 3.45Å; S330-K334 PolarHBondContact O-N 3.39Å; S330-K334 VanDerWaalsContact O-N 3.16Å
331	S	58.3	Low	56.6	Low	51 Å²	51	64.3 Å²	64.3	36%	0.357	35%	0.346	S	S	.	.	H	α-helix	trans	-78.9	-44	-177.8	78.2	0	0	0	0	111.4	S328 K334 L335	S328-S331 PolarHBondContact O-N 3.03Å; S328-S331 PolarHBondContact O-OG 3.02Å; S328-S331 VanDerWaalsContact O-OG 3.11Å; S331-K334 PolarHBondContact O-N 2.97Å; S331-L335 VanDerWaalsContact O-CB 3.28Å; S331-L335 WeakPolarHBondContact O-CB 3.26Å; S331-L335 PolarHBondContact O-N 3.33Å
332	V	58.2	Low	57.8	Low	28 Å²	28	63.2 Å²	63.2	17%	0.17	34%	0.341	C	S	.	.	H	α-helix	trans	-66.8	-45.4	177.9	179	0	0	0	0	110.9	K334 L335 V336	V332-K334 PolarHBondContact O-N 3.2Å; V332-L335 WeakPolarHBondContact O-CB 3.49Å; V332-L335 PolarHBondContact O-N 3.31Å; V332-V336 HydrophobicContact CG1-CG2 4.37Å; V332-V336 VanDerWaalsContact O-CG2 3.26Å; V332-V336 WeakPolarHBondContact O-CG2 3.36Å; V332-V336 PolarHBondContact O-N 2.63Å
333	T	60.6	Low	58.7	Low	42 Å²	42	63.4 Å²	63.4	26%	0.258	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-41.4	175.6	45	0	0	0	0	112.2	N266 A270 I274 G329 S330 W337	N266-T333 PolarHBondContact ND2-O 2.95Å; N266-T333 PolarHBondContact OD1-O 3.23Å; A270-T333 HydrophobicContact CB-CG2 3.62Å; I274-T333 HydrophobicContact CD1-CG2 4.48Å; G329-T333 WeakPolarHBondContact O-CG2 3.47Å; G329-T333 PolarHBondContact O-N 3.05Å; G329-T333 PolarHBondContact O-OG1 3.03Å; S330-T333 VanDerWaalsContact C-OG1 3.31Å; S330-T333 VanDerWaalsContact CA-OG1 3.24Å; S330-T333 WeakPolarHBondContact CA-OG1 3.14Å; S330-T333 PolarHBondContact O-OG1 3.2Å; S330-T333 VanDerWaalsContact O-OG1 3.13Å; T333-W337 WeakPolarHBondContact O-CB 3.44Å; T333-W337 PolarHBondContact O-N 2.85Å
334	K	66.1	Low	59.9	Low	147 Å²	147	59.6 Å²	59.6	64%	0.639	32%	0.323	S	S	*	.	H	α-helix	trans	-68.5	-34.1	175.5	-169.4	176	-174.8	179.7	0	112.3	S330 S331 V332 E338	S330-K334 WeakPolarHBondContact O-CB 3.45Å; S330-K334 PolarHBondContact O-N 3.39Å; S330-K334 VanDerWaalsContact O-N 3.16Å; S331-K334 PolarHBondContact O-N 2.97Å; V332-K334 PolarHBondContact O-N 3.2Å; K334-E338 WeakPolarHBondContact O-CG 3.34Å; K334-E338 PolarHBondContact O-N 3.03Å; K334-E338 VanDerWaalsContact O-N 3.11Å
335	L	63.5	Low	61	Low	50 Å²	50	60.2 Å²	60.2	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-68.4	-49.2	176.6	-156.9	90.9	0	0	0	112.3	S331 V332 W337 E338 Q339 Q383	S331-L335 VanDerWaalsContact O-CB 3.28Å; S331-L335 WeakPolarHBondContact O-CB 3.26Å; S331-L335 PolarHBondContact O-N 3.33Å; V332-L335 WeakPolarHBondContact O-CB 3.49Å; V332-L335 PolarHBondContact O-N 3.31Å; L335-W337 VanDerWaalsContact C-N 3.3Å; L335-W337 PolarHBondContact O-N 3.14Å; L335-E338 PolarHBondContact O-N 3.03Å; L335-Q339 VanDerWaalsContact O-CG 3.28Å; L335-Q339 WeakPolarHBondContact O-CG 3.26Å; L335-Q339 PolarHBondContact O-N 2.66Å; L335-Q339 VanDerWaalsContact O-N 3.15Å; L335-Q383 VanDerWaalsContact CD2-CD 3.44Å
336	V	65	Low	61.8	Low	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-42.1	178.1	175.5	0	0	0	0	109.7	N266 V269 L273 V332 Q339 I340 I380	N266-V336 WeakPolarHBondContact OD1-CB 3.46Å; N266-V336 VanDerWaalsContact OD1-CG1 3.26Å; N266-V336 WeakPolarHBondContact OD1-CG1 3.36Å; V269-V336 HydrophobicContact CG1-CG1 4.14Å; L273-V336 HydrophobicContact CD1-CG2 4.42Å; V332-V336 HydrophobicContact CG1-CG2 4.37Å; V332-V336 VanDerWaalsContact O-CG2 3.26Å; V332-V336 WeakPolarHBondContact O-CG2 3.36Å; V332-V336 PolarHBondContact O-N 2.63Å; V336-Q339 PolarHBondContact O-N 3.36Å; V336-I340 HydrophobicContact CG1-CD1 3.6Å; V336-I340 HydrophobicContact CG1-CG1 4.26Å; V336-I340 VanDerWaalsContact O-CG1 3.26Å; V336-I340 WeakPolarHBondContact O-CG1 3.47Å; V336-I340 PolarHBondContact O-N 3.18Å; V336-I380 HydrophobicContact CG2-CD1 4Å
337	W	71.1	Confident	62.3	Low	55 Å²	55	65.8 Å²	65.8	21%	0.208	33%	0.333	C	S	.	.	H	α-helix	trans	-53.7	-56.4	173.4	-178.8	-104.4	0	0	0	113.4	V262 L263 N266 T333 L335 Q339 I340 K341	V262-W337 HydrophobicContact CB-CH2 4.09Å; V262-W337 HydrophobicContact CB-CZ3 3.96Å; V262-W337 HydrophobicContact CG1-CD2 3.99Å; V262-W337 HydrophobicContact CG1-CE3 3.47Å; V262-W337 VanDerWaalsContact CG1-CE3 3.47Å; V262-W337 HydrophobicContact CG1-CH2 3.64Å; V262-W337 HydrophobicContact CG1-CZ2 4.14Å; V262-W337 HydrophobicContact CG1-CZ3 3.27Å; L263-W337 HydrophobicContact CB-CH2 4.31Å; L263-W337 HydrophobicContact CB-CZ3 4.3Å; L263-W337 HydrophobicContact CD1-CH2 4.01Å; L263-W337 HydrophobicContact CD1-CZ3 4.12Å; N266-W337 HydrophobicContact CB-CE3 3.64Å; N266-W337 HydrophobicContact CB-CZ3 4.08Å; N266-W337 PolarHBondContact OD1-N 3.38Å; T333-W337 WeakPolarHBondContact O-CB 3.44Å; T333-W337 PolarHBondContact O-N 2.85Å; L335-W337 VanDerWaalsContact C-N 3.3Å; L335-W337 PolarHBondContact O-N 3.14Å; W337-Q339 VanDerWaalsContact C-N 3.27Å; W337-Q339 PolarHBondContact O-N 3.37Å; W337-I340 PolarHBondContact O-N 2.93Å; W337-K341 VanDerWaalsContact O-CB 3.3Å; W337-K341 WeakPolarHBondContact O-CB 3.43Å; W337-K341 PolarHBondContact O-N 2.95Å
338	E	71.3	Confident	63	Low	82 Å²	82	66 Å²	66	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-36.1	-178.1	-75.1	-64.3	154.6	0	0	112.2	K334 L335 Q342	K334-E338 WeakPolarHBondContact O-CG 3.34Å; K334-E338 PolarHBondContact O-N 3.03Å; K334-E338 VanDerWaalsContact O-N 3.11Å; L335-E338 PolarHBondContact O-N 3.03Å; E338-Q342 WeakPolarHBondContact O-CB 3.42Å; E338-Q342 WeakPolarHBondContact O-CG 3.42Å; E338-Q342 PolarHBondContact O-N 3.41Å
339	Q	70	Confident	63.4	Low	40 Å²	40	67.8 Å²	67.8	19%	0.187	35%	0.347	C	S	.	.	H	α-helix	trans	-73.5	-43	179.4	-66.1	-61	-58.2	0	0	112.7	L335 V336 W337 K341 Q342 I343 L376 S379	L335-Q339 VanDerWaalsContact O-CG 3.28Å; L335-Q339 WeakPolarHBondContact O-CG 3.26Å; L335-Q339 PolarHBondContact O-N 2.66Å; L335-Q339 VanDerWaalsContact O-N 3.15Å; V336-Q339 PolarHBondContact O-N 3.36Å; W337-Q339 VanDerWaalsContact C-N 3.27Å; W337-Q339 PolarHBondContact O-N 3.37Å; Q339-K341 VanDerWaalsContact C-N 3.3Å; Q339-K341 PolarHBondContact O-N 2.81Å; Q339-Q342 PolarHBondContact O-N 3.4Å; Q339-I343 WeakPolarHBondContact O-CD1 3.46Å; Q339-I343 VanDerWaalsContact O-CG1 3.28Å; Q339-I343 WeakPolarHBondContact O-CG1 3.49Å; Q339-I343 PolarHBondContact O-N 3.28Å; Q339-L376 HydrophobicContact CB-CD1 3.88Å; Q339-S379 PolarHBondContact OE1-OG 3.28Å
340	I	69.5	Low	63.8	Low	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-43.3	174.1	-66.2	172.7	0	0	0	109.4	V262 L265 N266 V336 W337 Q342 I343 I344 L371 L376	V262-I340 HydrophobicContact CB-CG2 4.13Å; V262-I340 HydrophobicContact CG1-CB 4.2Å; V262-I340 HydrophobicContact CG1-CG2 3.76Å; V262-I340 HydrophobicContact CG2-CG2 4.04Å; L265-I340 HydrophobicContact CB-CD1 4.41Å; N266-I340 HydrophobicContact CB-CD1 4.32Å; V336-I340 HydrophobicContact CG1-CD1 3.6Å; V336-I340 HydrophobicContact CG1-CG1 4.26Å; V336-I340 VanDerWaalsContact O-CG1 3.26Å; V336-I340 WeakPolarHBondContact O-CG1 3.47Å; V336-I340 PolarHBondContact O-N 3.18Å; W337-I340 PolarHBondContact O-N 2.93Å; I340-Q342 PolarHBondContact O-N 3.45Å; I340-I343 PolarHBondContact O-N 2.98Å; I340-I344 HydrophobicContact CG2-CD1 3.75Å; I340-I344 HydrophobicContact CG2-CG1 4.42Å; I340-I344 WeakPolarHBondContact O-CG1 3.07Å; I340-I344 PolarHBondContact O-N 3.34Å; I340-I344 VanDerWaalsContact O-N 3.08Å; I340-L371 HydrophobicContact CG2-CD1 4.02Å; I340-L376 HydrophobicContact CD1-CD2 4.49Å; I340-L376 HydrophobicContact CG1-CD1 4.16Å; I340-L376 HydrophobicContact CG1-CD2 4.21Å
341	K	72.2	Confident	64.1	Low	74 Å²	74	71.1 Å²	71.1	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-45.1	177.6	-169.8	174.1	-178.1	173.2	0	112.6	V262 W337 Q339 I343 H345	V262-K341 HydrophobicContact CG1-CB 4.48Å; W337-K341 VanDerWaalsContact O-CB 3.3Å; W337-K341 WeakPolarHBondContact O-CB 3.43Å; W337-K341 PolarHBondContact O-N 2.95Å; Q339-K341 VanDerWaalsContact C-N 3.3Å; Q339-K341 PolarHBondContact O-N 2.81Å; K341-I343 VanDerWaalsContact C-N 3.32Å; K341-I343 PolarHBondContact O-N 3.08Å; K341-H345 WeakPolarHBondContact O-CB 3.49Å; K341-H345 PolarHBondContact O-N 3.22Å
342	Q	71.2	Confident	64.4	Low	111 Å²	111	69.7 Å²	69.7	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-65.1	-31.8	178.4	-79	-173.5	9.7	0	0	113.9	E338 Q339 I340	E338-Q342 WeakPolarHBondContact O-CB 3.42Å; E338-Q342 WeakPolarHBondContact O-CG 3.42Å; E338-Q342 PolarHBondContact O-N 3.41Å; Q339-Q342 PolarHBondContact O-N 3.4Å; I340-Q342 PolarHBondContact O-N 3.45Å
343	I	66.1	Low	64.3	Low	30 Å²	30	74.4 Å²	74.4	15%	0.154	37%	0.372	C	S	.	.	H	α-helix	trans	-77	-45.6	-179.7	-66.5	166.8	0	0	0	110.5	Q339 I340 K341 H345 R346 S370 L371	Q339-I343 WeakPolarHBondContact O-CD1 3.46Å; Q339-I343 VanDerWaalsContact O-CG1 3.28Å; Q339-I343 WeakPolarHBondContact O-CG1 3.49Å; Q339-I343 PolarHBondContact O-N 3.28Å; I340-I343 PolarHBondContact O-N 2.98Å; K341-I343 VanDerWaalsContact C-N 3.32Å; K341-I343 PolarHBondContact O-N 3.08Å; I343-H345 PolarHBondContact O-N 3.18Å; I343-R346 PolarHBondContact O-N 3.01Å; I343-S370 VanDerWaalsContact CG2-O 3.3Å; I343-S370 WeakPolarHBondContact CG2-O 3.47Å; I343-L371 HydrophobicContact CB-CD1 4.37Å; I343-L371 HydrophobicContact CG2-CD1 4.07Å; I343-L371 HydrophobicContact CG2-CG 4.49Å
344	I	66.6	Low	64.6	Low	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-70.2	-30.2	-176.6	-66	-177.7	0	0	0	112.1	Q258 I261 V262 I340 R346 I347 A367 L371	Q258-I344 HydrophobicContact CB-CG2 3.65Å; Q258-I344 HydrophobicContact CG-CG2 3.43Å; Q258-I344 VanDerWaalsContact CG-CG2 3.43Å; Q258-I344 PolarHBondContact NE2-O 3.36Å; I261-I344 HydrophobicContact CG2-CD1 3.98Å; V262-I344 HydrophobicContact CG2-CD1 3.7Å; I340-I344 HydrophobicContact CG2-CD1 3.75Å; I340-I344 HydrophobicContact CG2-CG1 4.42Å; I340-I344 WeakPolarHBondContact O-CG1 3.07Å; I340-I344 PolarHBondContact O-N 3.34Å; I340-I344 VanDerWaalsContact O-N 3.08Å; I344-R346 PolarHBondContact O-N 2.88Å; I344-R346 VanDerWaalsContact O-N 3.12Å; I344-I347 HydrophobicContact CG2-CD1 4.24Å; I344-I347 VanDerWaalsContact O-CD1 3.23Å; I344-I347 WeakPolarHBondContact O-CD1 3.33Å; I344-I347 WeakPolarHBondContact O-CG1 3.39Å; I344-A367 HydrophobicContact CG2-CB 4.16Å; I344-L371 HydrophobicContact CD1-CD1 3.65Å; I344-L371 HydrophobicContact CG1-CD1 3.39Å
345	H	65	Low	65	Low	103 Å²	103	68.8 Å²	68.8	48%	0.477	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.2	178.6	-106	58.7	0	0	0	115.5	H255 K341 I343	H255-H345 AromaticContact CE1-CE1 3.5Å; H255-H345 PolarHBondContact CE1-CE1 2.8Å; H255-H345 VanDerWaalsContact CE1-CE1 3.5Å; H255-H345 AromaticContact CE1-NE2 3.76Å; H255-H345 AromaticContact ND1-CE1 3.45Å; H255-H345 PolarHBondContact ND1-CE1 3.29Å; H255-H345 AromaticContact ND1-NE2 3.71Å; K341-H345 WeakPolarHBondContact O-CB 3.49Å; K341-H345 PolarHBondContact O-N 3.22Å; I343-H345 PolarHBondContact O-N 3.18Å
346	R	60.9	Low	65.8	Low	220 Å²	220	68.9 Å²	68.9	83%	0.83	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	5.8	-176.5	-72.9	-172.5	179.6	-164.5	0.9	115	I343 I344	I343-R346 PolarHBondContact O-N 3.01Å; I344-R346 PolarHBondContact O-N 2.88Å; I344-R346 VanDerWaalsContact O-N 3.12Å
347	I	57.6	Low	66.6	Low	44 Å²	44	72 Å²	72	23%	0.226	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-79.3	137.9	-172.4	-59.1	161.1	0	0	0	111.3	I344 D366 A367 S370	I344-I347 HydrophobicContact CG2-CD1 4.24Å; I344-I347 VanDerWaalsContact O-CD1 3.23Å; I344-I347 WeakPolarHBondContact O-CD1 3.33Å; I344-I347 WeakPolarHBondContact O-CG1 3.39Å; I347-D366 HydrophobicContact CG2-CB 4.32Å; I347-A367 HydrophobicContact CD1-CB 3.81Å; I347-S370 WeakPolarHBondContact CD1-OG 3.36Å
348	T	57	Low	67	Low	125 Å²	125	75.2 Å²	75.2	77%	0.767	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-72.2	130.3	179.7	36.7	0	0	0	0	112.6	V350	T348-V350 PolarHBondContact O-N 3.46Å
349	L	57.4	Low	67.6	Low	94 Å²	94	72.4 Å²	72.4	49%	0.492	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.7	121.1	178.4	-81.5	116.6	0	0	0	112.3	K251 I254	K251-L349 HydrophobicContact CD-CD2 4.43Å; K251-L349 HydrophobicContact CG-CD2 3.63Å; I254-L349 HydrophobicContact CD1-CD2 4Å; I254-L349 HydrophobicContact CD1-CG 4.47Å
350	V	58.2	Low	68.3	Low	99 Å²	99	71.7 Å²	71.7	60%	0.6	38%	0.376	S	S	*	.			trans	-108.2	117.2	160.6	-175.5	0	0	0	0	107.3	T348 P352	T348-V350 PolarHBondContact O-N 3.46Å; V350-P352 WeakPolarHBondContact O-CD 3.4Å
351	N	59.8	Low	69	Low	98 Å²	98	77.1 Å²	77.1	52%	0.524	40%	0.396	S	S	.	.			trans	-75.6	111.4	175.9	-71.1	-28.7	0	0	0	108.9
352	P	64.3	Low	69.5	Low	22 Å²	22	79.6 Å²	79.6	14%	0.143	41%	0.407	C	S	.	.			trans	-76.9	156.7	175.1	36	-40	0	0	0	111.3	V350 A354 W359	V350-P352 WeakPolarHBondContact O-CD 3.4Å; P352-A354 VanDerWaalsContact C-N 3.32Å; P352-W359 VanDerWaalsContact CB-CD1 3.43Å; P352-W359 HydrophobicContact CB-CD2 4.34Å; P352-W359 HydrophobicContact CB-CG 3.89Å; P352-W359 HydrophobicContact CG-CD2 3.89Å; P352-W359 VanDerWaalsContact CG-CE2 3.46Å; P352-W359 HydrophobicContact CG-CG 3.99Å; P352-W359 HydrophobicContact CG-CZ2 3.94Å; P352-W359 VanDerWaalsContact CG-NE1 3.33Å
353	P	57.6	Low	70	Confident	127 Å²	127	75.1 Å²	75.1	83%	0.825	39%	0.387	S	S	*	.	S	Bend	trans	-71.7	-22.9	169.6	26.7	-31.3	0	0	0	113.4
354	A	66.8	Low	70.8	Confident	45 Å²	45	73.7 Å²	73.7	37%	0.372	38%	0.38	S	S	.	.	S	Bend	trans	-154.4	150.8	175.4	0	0	0	0	0	111.7	P352 T356	P352-A354 VanDerWaalsContact C-N 3.32Å; A354-T356 HydrophobicContact CB-CG2 4.17Å; A354-T356 PolarHBondContact O-N 3.05Å; A354-T356 VanDerWaalsContact O-N 3.16Å
355	I	74	Confident	71.6	Confident	26 Å²	26	77 Å²	77	13%	0.133	40%	0.395	C	S	.	.			trans	-84	86.4	177	-61.7	166.1	0	0	0	109.1	F233 V238 V245 W359 K360	F233-I355 HydrophobicContact CD2-CG2 4.46Å; F233-I355 HydrophobicContact CE2-CG2 3.75Å; V238-I355 HydrophobicContact CG1-CB 4.38Å; V238-I355 HydrophobicContact CG1-CD1 4.37Å; V238-I355 HydrophobicContact CG2-CD1 4.03Å; V245-I355 HydrophobicContact CG1-CD1 4.06Å; V245-I355 HydrophobicContact CG2-CD1 4.08Å; V245-I355 HydrophobicContact CG2-CG1 4.42Å; I355-W359 HydrophobicContact CB-CE3 4.42Å; I355-W359 HydrophobicContact CG1-CE3 4.48Å; I355-W359 HydrophobicContact CG1-CZ3 4.25Å; I355-W359 HydrophobicContact CG2-CE3 3.89Å; I355-W359 HydrophobicContact CG2-CZ3 3.84Å; I355-K360 HydrophobicContact CG2-CG 4.5Å
356	T	80.2	Confident	72.3	Confident	52 Å²	52	75 Å²	75	32%	0.319	39%	0.389	S	S	.	.			trans	-99.2	160.1	177.8	78.5	0	0	0	0	111.9	A354 E358 W359 K360	A354-T356 HydrophobicContact CB-CG2 4.17Å; A354-T356 PolarHBondContact O-N 3.05Å; A354-T356 VanDerWaalsContact O-N 3.16Å; T356-E358 WeakPolarHBondContact CB-OE2 3.36Å; T356-E358 PolarHBondContact O-N 3.16Å; T356-E358 PolarHBondContact OG1-N 3Å; T356-E358 PolarHBondContact OG1-OE2 2.98Å; T356-W359 WeakPolarHBondContact O-CB 3.47Å; T356-W359 PolarHBondContact O-N 3.48Å; T356-W359 VanDerWaalsContact O-N 3.09Å; T356-W359 PolarHBondContact OG1-N 3.32Å; T356-K360 PolarHBondContact O-N 3.49Å
357	P	80.8	Confident	73.1	Confident	65 Å²	65	64.6 Å²	64.6	42%	0.422	35%	0.349	S	S	.	.	H	α-helix	trans	-53.4	-37.1	172.6	-25.4	35	0	0	0	113	A229 K360 R361	A229-P357 HydrophobicContact CB-CB 4.28Å; P357-K360 PolarHBondContact O-N 3.1Å; P357-R361 WeakPolarHBondContact O-CB 3.47Å; P357-R361 PolarHBondContact O-N 3.05Å
358	E	80	Confident	74.1	Confident	122 Å²	122	63 Å²	63	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-67.8	-37.2	178	-58	72	-154.1	0	0	111.9	T356 R361 K362	T356-E358 WeakPolarHBondContact CB-OE2 3.36Å; T356-E358 PolarHBondContact O-N 3.16Å; T356-E358 PolarHBondContact OG1-N 3Å; T356-E358 PolarHBondContact OG1-OE2 2.98Å; E358-R361 PolarHBondContact O-N 3.03Å; E358-K362 WeakPolarHBondContact O-CB 3.47Å; E358-K362 PolarHBondContact O-N 3.31Å
359	W	84.2	Confident	75	Confident	24 Å²	24	62.7 Å²	62.7	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-45.2	173.3	173.2	77.4	0	0	0	111.5	I250 C253 I254 I257 P352 I355 T356 R361 K362 V363	I250-W359 HydrophobicContact CG2-CH2 4.5Å; I250-W359 HydrophobicContact CG2-CZ2 4.13Å; C253-W359 HydrophobicContact CB-CH2 3.98Å; C253-W359 HydrophobicContact CB-CZ3 4.22Å; I254-W359 HydrophobicContact CD1-CZ2 4.18Å; I254-W359 HydrophobicContact CG1-CH2 3.87Å; I254-W359 HydrophobicContact CG1-CZ2 3.75Å; I257-W359 HydrophobicContact CD1-CZ3 4.08Å; P352-W359 VanDerWaalsContact CB-CD1 3.43Å; P352-W359 HydrophobicContact CB-CD2 4.34Å; P352-W359 HydrophobicContact CB-CG 3.89Å; P352-W359 HydrophobicContact CG-CD2 3.89Å; P352-W359 VanDerWaalsContact CG-CE2 3.46Å; P352-W359 HydrophobicContact CG-CG 3.99Å; P352-W359 HydrophobicContact CG-CZ2 3.94Å; P352-W359 VanDerWaalsContact CG-NE1 3.33Å; I355-W359 HydrophobicContact CB-CE3 4.42Å; I355-W359 HydrophobicContact CG1-CE3 4.48Å; I355-W359 HydrophobicContact CG1-CZ3 4.25Å; I355-W359 HydrophobicContact CG2-CE3 3.89Å; I355-W359 HydrophobicContact CG2-CZ3 3.84Å; T356-W359 WeakPolarHBondContact O-CB 3.47Å; T356-W359 PolarHBondContact O-N 3.48Å; T356-W359 VanDerWaalsContact O-N 3.09Å; T356-W359 PolarHBondContact OG1-N 3.32Å; W359-R361 VanDerWaalsContact C-N 3.27Å; W359-R361 PolarHBondContact O-N 3.49Å; W359-K362 WeakPolarHBondContact O-CB 3.38Å; W359-K362 PolarHBondContact O-N 3.4Å; W359-K362 VanDerWaalsContact O-N 3.11Å; W359-V363 HydrophobicContact CD2-CG2 4Å; W359-V363 VanDerWaalsContact CE2-CG2 3.46Å; W359-V363 HydrophobicContact CG-CG2 4.49Å; W359-V363 HydrophobicContact CH2-CG2 4.23Å; W359-V363 HydrophobicContact CZ2-CG2 3.64Å; W359-V363 WeakPolarHBondContact O-CG2 3.22Å; W359-V363 PolarHBondContact O-N 3.33Å
360	K	84.2	Confident	75.8	Confident	24 Å²	24	60 Å²	60	10%	0.104	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-42.1	176.1	-60.6	-178.4	-164.1	174.5	0	111.1	A228 L231 F233 I257 I355 T356 P357 V363 A364	A228-K360 WeakPolarHBondContact O-CB 3.45Å; A228-K360 WeakPolarHBondContact O-CD 3.46Å; L231-K360 PolarHBondContact O-NZ 3.41Å; F233-K360 HydrophobicContact CE2-CD 4.27Å; F233-K360 HydrophobicContact CZ-CD 4.34Å; I257-K360 HydrophobicContact CD1-CB 3.97Å; I257-K360 HydrophobicContact CD1-CG 4Å; I355-K360 HydrophobicContact CG2-CG 4.5Å; T356-K360 PolarHBondContact O-N 3.49Å; P357-K360 PolarHBondContact O-N 3.1Å; K360-V363 PolarHBondContact O-N 3.27Å; K360-A364 WeakPolarHBondContact O-CB 3.12Å; K360-A364 PolarHBondContact O-N 3.46Å
361	R	85.6	Confident	76.5	Confident	114 Å²	114	55.8 Å²	55.8	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175.5	-160.3	-179.3	-78.8	167.7	-6.6	111.5	L225 P357 E358 W359 A364 Q365	L225-R361 HydrophobicContact CB-CG 3.83Å; L225-R361 HydrophobicContact CD1-CG 4.49Å; L225-R361 HydrophobicContact CD2-CG 3.9Å; L225-R361 VanDerWaalsContact CD2-O 3.28Å; L225-R361 WeakPolarHBondContact CD2-O 3.15Å; L225-R361 HydrophobicContact CG-CG 4.27Å; P357-R361 WeakPolarHBondContact O-CB 3.47Å; P357-R361 PolarHBondContact O-N 3.05Å; E358-R361 PolarHBondContact O-N 3.03Å; W359-R361 VanDerWaalsContact C-N 3.27Å; W359-R361 PolarHBondContact O-N 3.49Å; R361-A364 PolarHBondContact O-N 3.43Å; R361-Q365 WeakPolarHBondContact O-CB 3.22Å; R361-Q365 PolarHBondContact O-N 3.19Å
362	K	81.8	Confident	77.1	Confident	126 Å²	126	53.1 Å²	53.1	55%	0.548	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.1	-171.2	172.1	-178.6	175.2	0	112.7	E358 W359 A364 Q365 D366	E358-K362 WeakPolarHBondContact O-CB 3.47Å; E358-K362 PolarHBondContact O-N 3.31Å; W359-K362 WeakPolarHBondContact O-CB 3.38Å; W359-K362 PolarHBondContact O-N 3.4Å; W359-K362 VanDerWaalsContact O-N 3.11Å; K362-A364 VanDerWaalsContact C-N 3.32Å; K362-A364 PolarHBondContact O-N 3.15Å; K362-Q365 PolarHBondContact O-N 2.92Å; K362-D366 VanDerWaalsContact O-CG 3.32Å; K362-D366 PolarHBondContact O-N 2.99Å
363	V	81.3	Confident	77.5	Confident	18 Å²	18	52.6 Å²	52.6	11%	0.109	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-41.7	175	173.2	0	0	0	0	111.2	I254 I257 W359 K360 A367	I254-V363 HydrophobicContact CG1-CG1 4.29Å; I254-V363 HydrophobicContact CG2-CG1 4.21Å; I257-V363 HydrophobicContact CB-CG1 4.39Å; I257-V363 HydrophobicContact CD1-CB 4.35Å; I257-V363 HydrophobicContact CD1-CG1 4.22Å; I257-V363 HydrophobicContact CG2-CG1 4.07Å; W359-V363 HydrophobicContact CD2-CG2 4Å; W359-V363 VanDerWaalsContact CE2-CG2 3.46Å; W359-V363 HydrophobicContact CG-CG2 4.49Å; W359-V363 HydrophobicContact CH2-CG2 4.23Å; W359-V363 HydrophobicContact CZ2-CG2 3.64Å; W359-V363 WeakPolarHBondContact O-CG2 3.22Å; W359-V363 PolarHBondContact O-N 3.33Å; K360-V363 PolarHBondContact O-N 3.27Å; V363-A367 WeakPolarHBondContact O-CB 3.37Å; V363-A367 PolarHBondContact O-N 2.97Å
364	A	83.3	Confident	78.2	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-39.7	175.3	0	0	0	0	0	112.5	L225 A228 I257 I261 K360 R361 K362 A367 I368	L225-A364 HydrophobicContact CD2-CB 3.91Å; A228-A364 HydrophobicContact CB-CB 3.52Å; I257-A364 HydrophobicContact CG2-CB 4.11Å; I261-A364 VanDerWaalsContact CD1-CA 3.48Å; I261-A364 HydrophobicContact CD1-CB 3.57Å; K360-A364 WeakPolarHBondContact O-CB 3.12Å; K360-A364 PolarHBondContact O-N 3.46Å; R361-A364 PolarHBondContact O-N 3.43Å; K362-A364 VanDerWaalsContact C-N 3.32Å; K362-A364 PolarHBondContact O-N 3.15Å; A364-A367 WeakPolarHBondContact O-CB 3.46Å; A364-A367 PolarHBondContact O-N 3.04Å; A364-I368 VanDerWaalsContact O-CG1 3.27Å; A364-I368 WeakPolarHBondContact O-CG1 3.26Å; A364-I368 PolarHBondContact O-N 3.44Å
365	Q	83.8	Confident	78.5	Confident	69 Å²	69	51.6 Å²	51.6	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-47.9	176	-175.1	165.9	-1.8	0	0	111.9	L225 R361 K362 A367 I368 E369	L225-Q365 HydrophobicContact CD2-CB 3.84Å; R361-Q365 WeakPolarHBondContact O-CB 3.22Å; R361-Q365 PolarHBondContact O-N 3.19Å; K362-Q365 PolarHBondContact O-N 2.92Å; Q365-A367 PolarHBondContact O-N 2.94Å; Q365-I368 PolarHBondContact O-N 3.45Å; Q365-E369 HydrophobicContact CG-CG 4.4Å; Q365-E369 VanDerWaalsContact CG-OE1 3.32Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.47Å; Q365-E369 PolarHBondContact NE2-OE1 2.94Å; Q365-E369 WeakPolarHBondContact O-CB 3.49Å; Q365-E369 WeakPolarHBondContact O-CG 3.44Å; Q365-E369 PolarHBondContact O-N 3.39Å
366	D	79.6	Confident	78.4	Confident	62 Å²	62	50.4 Å²	50.4	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-35.2	175.9	-67.9	-19.2	0	0	0	110.9	I347 K362 S370	I347-D366 HydrophobicContact CG2-CB 4.32Å; K362-D366 VanDerWaalsContact O-CG 3.32Å; K362-D366 PolarHBondContact O-N 2.99Å; D366-S370 VanDerWaalsContact O-CB 3.3Å; D366-S370 WeakPolarHBondContact O-CB 3.46Å; D366-S370 PolarHBondContact O-N 3.42Å
367	A	78.1	Confident	78.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-44.9	173.9	0	0	0	0	0	113.8	I261 I344 I347 V363 A364 Q365 S370	I261-A367 HydrophobicContact CD1-CB 3.88Å; I344-A367 HydrophobicContact CG2-CB 4.16Å; I347-A367 HydrophobicContact CD1-CB 3.81Å; V363-A367 WeakPolarHBondContact O-CB 3.37Å; V363-A367 PolarHBondContact O-N 2.97Å; A364-A367 WeakPolarHBondContact O-CB 3.46Å; A364-A367 PolarHBondContact O-N 3.04Å; Q365-A367 PolarHBondContact O-N 2.94Å; A367-S370 PolarHBondContact O-OG 3.03Å
368	I	77.9	Confident	77.9	Confident	12 Å²	12	51 Å²	51	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-67.4	-42.4	177.4	-66.8	163.8	0	0	0	110.8	L217 L224 L225 I261 A364 Q365 S370 L371	L217-I368 HydrophobicContact CD2-CG2 4.2Å; L224-I368 HydrophobicContact CB-CD1 3.94Å; L224-I368 HydrophobicContact CD1-CD1 4.08Å; L224-I368 HydrophobicContact CD1-CG1 4.46Å; L225-I368 HydrophobicContact CD2-CD1 4.37Å; I261-I368 HydrophobicContact CG2-CG1 4.36Å; A364-I368 VanDerWaalsContact O-CG1 3.27Å; A364-I368 WeakPolarHBondContact O-CG1 3.26Å; A364-I368 PolarHBondContact O-N 3.44Å; Q365-I368 PolarHBondContact O-N 3.45Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.99Å; I368-L371 WeakPolarHBondContact O-CB 3.26Å; I368-L371 PolarHBondContact O-N 2.95Å
369	E	76.6	Confident	77.5	Confident	117 Å²	117	46.6 Å²	46.6	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-71.2	-27.5	-179.3	-71.2	177.8	-171	0	0	112.8	K221 Q365 L371	K221-E369 IonicContact NZ-OE1 2.79Å; Q365-E369 HydrophobicContact CG-CG 4.4Å; Q365-E369 VanDerWaalsContact CG-OE1 3.32Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.47Å; Q365-E369 PolarHBondContact NE2-OE1 2.94Å; Q365-E369 WeakPolarHBondContact O-CB 3.49Å; Q365-E369 WeakPolarHBondContact O-CG 3.44Å; Q365-E369 PolarHBondContact O-N 3.39Å; E369-L371 PolarHBondContact O-N 3.26Å
370	S	74.8	Confident	76.8	Confident	39 Å²	39	46.3 Å²	46.3	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-21.4	169.9	80.5	0	0	0	0	113.1	I343 I347 D366 A367 I368 S372	I343-S370 VanDerWaalsContact CG2-O 3.3Å; I343-S370 WeakPolarHBondContact CG2-O 3.47Å; I347-S370 WeakPolarHBondContact CD1-OG 3.36Å; D366-S370 VanDerWaalsContact O-CB 3.3Å; D366-S370 WeakPolarHBondContact O-CB 3.46Å; D366-S370 PolarHBondContact O-N 3.42Å; A367-S370 PolarHBondContact O-OG 3.03Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.99Å; S370-S372 PolarHBondContact O-N 3.37Å; S370-S372 VanDerWaalsContact O-N 3.1Å
371	L	72.4	Confident	76.2	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.052	22%	0.222	C	C	.	.			trans	-79.3	91.1	-179.3	-136.1	93.4	0	0	0	111.1	L217 L265 I340 I343 I344 I368 E369 A373	L217-L371 HydrophobicContact CD1-CD2 4.37Å; L217-L371 HydrophobicContact CD2-CD2 4.07Å; L265-L371 HydrophobicContact CD2-CD2 4.42Å; I340-L371 HydrophobicContact CG2-CD1 4.02Å; I343-L371 HydrophobicContact CB-CD1 4.37Å; I343-L371 HydrophobicContact CG2-CD1 4.07Å; I343-L371 HydrophobicContact CG2-CG 4.49Å; I344-L371 HydrophobicContact CD1-CD1 3.65Å; I344-L371 HydrophobicContact CG1-CD1 3.39Å; I368-L371 WeakPolarHBondContact O-CB 3.26Å; I368-L371 PolarHBondContact O-N 2.95Å; E369-L371 PolarHBondContact O-N 3.26Å; L371-A373 PolarHBondContact O-N 3.35Å
372	S	72.3	Confident	75.6	Confident	42 Å²	42	42.3 Å²	42.3	29%	0.294	22%	0.218	S	C	.	.			trans	-74.2	109.1	172.7	177.8	0	0	0	0	110.6	S370 A374 K375 L376	S370-S372 PolarHBondContact O-N 3.37Å; S370-S372 VanDerWaalsContact O-N 3.1Å; S372-A374 PolarHBondContact O-N 3.08Å; S372-K375 WeakPolarHBondContact O-CA 3.3Å; S372-K375 WeakPolarHBondContact O-CB 3.36Å; S372-K375 PolarHBondContact O-N 2.98Å; S372-K375 PolarHBondContact OG-N 2.92Å; S372-L376 PolarHBondContact O-N 3.44Å
373	A	73.3	Confident	75	Confident	10 Å²	10	40.3 Å²	40.3	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-52	-37.5	171.7	0	0	0	0	0	112.1	I213 V214 L217 L371 K375 L376 A377	I213-A373 HydrophobicContact CB-CB 4.14Å; I213-A373 HydrophobicContact CG2-CB 3.64Å; V214-A373 HydrophobicContact CG2-CB 3.41Å; V214-A373 VanDerWaalsContact CG2-CB 3.41Å; L217-A373 HydrophobicContact CD1-CB 4.32Å; L371-A373 PolarHBondContact O-N 3.35Å; A373-K375 VanDerWaalsContact C-N 3.34Å; A373-K375 PolarHBondContact O-N 3.14Å; A373-L376 PolarHBondContact O-N 3.13Å; A373-A377 WeakPolarHBondContact O-CB 3.33Å; A373-A377 PolarHBondContact O-N 3.36Å
374	A	72.2	Confident	74.4	Confident	31 Å²	31	41.8 Å²	41.8	26%	0.256	22%	0.215	S	C	.	.	H	α-helix	trans	-67.1	-28.4	175.2	0	0	0	0	0	113.6	K210 S372 R378	K210-A374 HydrophobicContact CD-CB 4.24Å; S372-A374 PolarHBondContact O-N 3.08Å; A374-R378 VanDerWaalsContact O-CB 3.26Å; A374-R378 WeakPolarHBondContact O-CB 3.3Å; A374-R378 VanDerWaalsContact O-CG 3.24Å; A374-R378 WeakPolarHBondContact O-CG 3.5Å; A374-R378 PolarHBondContact O-N 3.14Å; A374-R378 PolarHBondContact O-NE 3.48Å
375	K	72.4	Confident	74	Confident	121 Å²	121	45.4 Å²	45.4	53%	0.526	23%	0.229	S	C	.	.	H	α-helix	trans	-76.8	-41.5	172.7	-73.2	-178.8	-176.5	170.5	0	111.2	S372 A373 S379	S372-K375 WeakPolarHBondContact O-CA 3.3Å; S372-K375 WeakPolarHBondContact O-CB 3.36Å; S372-K375 PolarHBondContact O-N 2.98Å; S372-K375 PolarHBondContact OG-N 2.92Å; A373-K375 VanDerWaalsContact C-N 3.34Å; A373-K375 PolarHBondContact O-N 3.14Å; K375-S379 WeakPolarHBondContact O-CB 3.08Å; K375-S379 PolarHBondContact O-N 3.25Å
376	L	72.1	Confident	73.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-49.1	179.6	-171	63.9	0	0	0	111.5	I213 V269 Q339 I340 S372 A373 R378 S379 I380	I213-L376 HydrophobicContact CD1-CB 4.25Å; I213-L376 HydrophobicContact CD1-CD2 3.93Å; I213-L376 HydrophobicContact CD1-CG 4.07Å; I213-L376 HydrophobicContact CG1-CD2 4.4Å; I213-L376 HydrophobicContact CG2-CD2 4.14Å; V269-L376 HydrophobicContact CG1-CD2 4.37Å; Q339-L376 HydrophobicContact CB-CD1 3.88Å; I340-L376 HydrophobicContact CD1-CD2 4.49Å; I340-L376 HydrophobicContact CG1-CD1 4.16Å; I340-L376 HydrophobicContact CG1-CD2 4.21Å; S372-L376 PolarHBondContact O-N 3.44Å; A373-L376 PolarHBondContact O-N 3.13Å; L376-R378 PolarHBondContact O-N 3.49Å; L376-S379 PolarHBondContact O-N 3.43Å; L376-I380 HydrophobicContact CD1-CD1 4.44Å; L376-I380 HydrophobicContact CG-CD1 4.15Å; L376-I380 WeakPolarHBondContact O-CG1 3.24Å; L376-I380 PolarHBondContact O-N 3.27Å; L376-I380 VanDerWaalsContact O-N 3.07Å
377	A	74.9	Confident	73.1	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-44	176.3	0	0	0	0	0	112.3	Q206 M209 K210 I213 A373 S379 I380 C381	Q206-A377 HydrophobicContact CG-CB 4.46Å; M209-A377 HydrophobicContact CB-CB 4.48Å; K210-A377 HydrophobicContact CB-CB 3.68Å; I213-A377 HydrophobicContact CD1-CB 4.18Å; A373-A377 WeakPolarHBondContact O-CB 3.33Å; A373-A377 PolarHBondContact O-N 3.36Å; A377-S379 VanDerWaalsContact C-N 3.34Å; A377-S379 PolarHBondContact O-N 3.04Å; A377-I380 PolarHBondContact O-N 3.5Å; A377-C381 WeakPolarHBondContact O-CB 3.3Å; A377-C381 PolarHBondContact O-N 3.44Å
378	R	74.9	Confident	72.8	Confident	129 Å²	129	48 Å²	48	49%	0.487	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-40.5	174.4	-84	-175.5	-67.9	168.8	-5.1	112.5	A374 L376 S382	A374-R378 VanDerWaalsContact O-CB 3.26Å; A374-R378 WeakPolarHBondContact O-CB 3.3Å; A374-R378 VanDerWaalsContact O-CG 3.24Å; A374-R378 WeakPolarHBondContact O-CG 3.5Å; A374-R378 PolarHBondContact O-N 3.14Å; A374-R378 PolarHBondContact O-NE 3.48Å; L376-R378 PolarHBondContact O-N 3.49Å; R378-S382 WeakPolarHBondContact O-CA 3.28Å; R378-S382 WeakPolarHBondContact O-CB 3.37Å; R378-S382 PolarHBondContact O-N 3.48Å
379	S	72.1	Confident	72.8	Confident	29 Å²	29	50.7 Å²	50.7	20%	0.203	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-46.1	179.8	-171	0	0	0	0	111.4	Q339 K375 L376 A377 S382 Q383	Q339-S379 PolarHBondContact OE1-OG 3.28Å; K375-S379 WeakPolarHBondContact O-CB 3.08Å; K375-S379 PolarHBondContact O-N 3.25Å; L376-S379 PolarHBondContact O-N 3.43Å; A377-S379 VanDerWaalsContact C-N 3.34Å; A377-S379 PolarHBondContact O-N 3.04Å; S379-S382 PolarHBondContact O-N 2.77Å; S379-Q383 PolarHBondContact O-N 3.01Å
380	I	69.3	Low	72.8	Confident	18 Å²	18	48.4 Å²	48.4	9%	0.092	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-50.6	179.2	-63.2	165.6	0	0	0	111.1	M209 L273 V336 L376 A377 S382 Q383 F384	M209-I380 HydrophobicContact SD-CG2 4.12Å; L273-I380 HydrophobicContact CD1-CD1 3.82Å; L273-I380 HydrophobicContact CD2-CD1 3.94Å; L273-I380 HydrophobicContact CD2-CG2 3.89Å; V336-I380 HydrophobicContact CG2-CD1 4Å; L376-I380 HydrophobicContact CD1-CD1 4.44Å; L376-I380 HydrophobicContact CG-CD1 4.15Å; L376-I380 WeakPolarHBondContact O-CG1 3.24Å; L376-I380 PolarHBondContact O-N 3.27Å; L376-I380 VanDerWaalsContact O-N 3.07Å; A377-I380 PolarHBondContact O-N 3.5Å; I380-S382 VanDerWaalsContact C-N 3.29Å; I380-S382 PolarHBondContact O-N 2.89Å; I380-Q383 PolarHBondContact O-N 2.93Å; I380-F384 PolarHBondContact O-N 3.43Å
381	C	70.9	Confident	72.5	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-70.3	-25.7	179.2	-71	0	0	0	0	113	Q206 A377 Q383 F384 R385	Q206-C381 WeakPolarHBondContact CA-SG 3.48Å; Q206-C381 HydrophobicContact CB-CB 3.75Å; Q206-C381 WeakPolarHBondContact CB-SG 3.34Å; Q206-C381 HydrophobicContact CG-CB 3.64Å; A377-C381 WeakPolarHBondContact O-CB 3.3Å; A377-C381 PolarHBondContact O-N 3.44Å; C381-Q383 VanDerWaalsContact C-N 3.31Å; C381-Q383 PolarHBondContact O-N 2.78Å; C381-F384 PolarHBondContact O-N 2.86Å; C381-R385 VanDerWaalsContact O-CG 3.27Å; C381-R385 WeakPolarHBondContact O-CG 3.37Å; C381-R385 PolarHBondContact O-N 3.4Å; C381-R385 PolarHBondContact O-NE 3.46Å
382	S	73.8	Confident	72.7	Confident	50 Å²	50	50.2 Å²	50.2	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-42.4	171.9	-170.1	0	0	0	0	111.1	R378 S379 I380 R385 T386	R378-S382 WeakPolarHBondContact O-CA 3.28Å; R378-S382 WeakPolarHBondContact O-CB 3.37Å; R378-S382 PolarHBondContact O-N 3.48Å; S379-S382 PolarHBondContact O-N 2.77Å; I380-S382 VanDerWaalsContact C-N 3.29Å; I380-S382 PolarHBondContact O-N 2.89Å; S382-R385 PolarHBondContact O-N 2.81Å; S382-T386 PolarHBondContact O-N 2.89Å; S382-T386 PolarHBondContact O-OG1 3.03Å
383	Q	70	Confident	73.1	Confident	83 Å²	83	54.5 Å²	54.5	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-38.5	179.9	-67.7	-170.7	15	0	0	112.9	L335 S379 I380 C381 R385 T386 K387	L335-Q383 VanDerWaalsContact CD2-CD 3.44Å; S379-Q383 PolarHBondContact O-N 3.01Å; I380-Q383 PolarHBondContact O-N 2.93Å; C381-Q383 VanDerWaalsContact C-N 3.31Å; C381-Q383 PolarHBondContact O-N 2.78Å; Q383-R385 VanDerWaalsContact C-N 3.35Å; Q383-T386 PolarHBondContact O-N 3.22Å; Q383-K387 WeakPolarHBondContact O-CB 3.48Å; Q383-K387 PolarHBondContact O-N 3.08Å
384	F	68.3	Low	73.1	Confident	49 Å²	49	56.4 Å²	56.4	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-45.4	173.7	-170.1	-100.8	0	0	0	111.4	A202 L280 I380 C381 K387 L388	A202-F384 HydrophobicContact CB-CD1 3.55Å; A202-F384 HydrophobicContact CB-CE1 3.75Å; L280-F384 HydrophobicContact CD2-CE1 4.41Å; L280-F384 HydrophobicContact CD2-CZ 4.32Å; I380-F384 PolarHBondContact O-N 3.43Å; C381-F384 PolarHBondContact O-N 2.86Å; F384-K387 PolarHBondContact O-N 2.94Å; F384-L388 HydrophobicContact CD1-CD1 3.62Å; F384-L388 HydrophobicContact CD1-CG 4.36Å; F384-L388 HydrophobicContact CE1-CD1 3.33Å; F384-L388 HydrophobicContact CE1-CG 4.1Å; F384-L388 HydrophobicContact CZ-CD1 4.15Å; F384-L388 PolarHBondContact O-N 2.71Å
385	R	74.4	Confident	73.1	Confident	77 Å²	77	57 Å²	57	29%	0.291	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176.6	-69.6	-176.3	-71.1	149.8	-2.5	112.7	M199 A202 C381 S382 Q383 K387 L388 N389	M199-R385 HydrophobicContact SD-CB 4.06Å; M199-R385 HydrophobicContact SD-CG 3.56Å; M199-R385 VanDerWaalsContact SD-CG 3.56Å; A202-R385 HydrophobicContact CB-CG 4.28Å; C381-R385 VanDerWaalsContact O-CG 3.27Å; C381-R385 WeakPolarHBondContact O-CG 3.37Å; C381-R385 PolarHBondContact O-N 3.4Å; C381-R385 PolarHBondContact O-NE 3.46Å; S382-R385 PolarHBondContact O-N 2.81Å; Q383-R385 VanDerWaalsContact C-N 3.35Å; R385-K387 PolarHBondContact O-N 3.13Å; R385-L388 PolarHBondContact O-N 2.81Å; R385-N389 WeakPolarHBondContact O-CB 3.15Å; R385-N389 VanDerWaalsContact O-CG 3.3Å; R385-N389 PolarHBondContact O-N 3.28Å
386	T	75.6	Confident	73.3	Confident	87 Å²	87	52.5 Å²	52.5	53%	0.534	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-38.4	176.2	-56.7	0	0	0	0	111.1	S382 Q383 S390	S382-T386 PolarHBondContact O-N 2.89Å; S382-T386 PolarHBondContact O-OG1 3.03Å; Q383-T386 PolarHBondContact O-N 3.22Å; T386-S390 WeakPolarHBondContact O-CB 3.37Å; T386-S390 PolarHBondContact O-N 3.13Å
387	K	69.4	Low	73.5	Confident	85 Å²	85	55 Å²	55	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-74.7	-39.4	179.3	-161.9	135.3	179	-173.5	0	112.9	T325 F326 Q383 F384 R385 N389 S390 S391	T325-K387 PolarHBondContact OG1-NZ 3.42Å; F326-K387 HydrophobicContact CE2-CD 4.44Å; F326-K387 HydrophobicContact CZ-CD 3.94Å; F326-K387 HydrophobicContact CZ-CG 4.27Å; Q383-K387 WeakPolarHBondContact O-CB 3.48Å; Q383-K387 PolarHBondContact O-N 3.08Å; F384-K387 PolarHBondContact O-N 2.94Å; R385-K387 PolarHBondContact O-N 3.13Å; K387-N389 VanDerWaalsContact C-N 3.35Å; K387-S390 PolarHBondContact O-N 2.82Å; K387-S391 PolarHBondContact O-N 3.21Å
388	L	70.4	Confident	73.4	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-46	169.9	-84.4	169.8	0	0	0	111.5	F195 L198 M199 A202 F284 F384 R385 S390 S391 H392	F195-L388 HydrophobicContact CE2-CB 4.4Å; L198-L388 HydrophobicContact CB-CD1 4.24Å; L198-L388 HydrophobicContact CB-CD2 4.03Å; L198-L388 HydrophobicContact CD1-CD2 4Å; M199-L388 HydrophobicContact CE-CB 3.78Å; M199-L388 HydrophobicContact CE-CD1 4.03Å; A202-L388 HydrophobicContact CB-CD1 4.39Å; F284-L388 HydrophobicContact CE2-CD2 4.25Å; F384-L388 HydrophobicContact CD1-CD1 3.62Å; F384-L388 HydrophobicContact CD1-CG 4.36Å; F384-L388 HydrophobicContact CE1-CD1 3.33Å; F384-L388 HydrophobicContact CE1-CG 4.1Å; F384-L388 HydrophobicContact CZ-CD1 4.15Å; F384-L388 PolarHBondContact O-N 2.71Å; R385-L388 PolarHBondContact O-N 2.81Å; L388-S390 PolarHBondContact O-N 3.4Å; L388-S391 PolarHBondContact O-N 3.45Å; L388-H392 WeakPolarHBondContact O-CB 3.45Å; L388-H392 PolarHBondContact O-N 3.42Å
389	N	78.7	Confident	73.2	Confident	67 Å²	67	50.9 Å²	50.9	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-46.2	176.4	-73.5	-5.5	0	0	0	111.5	F195 M199 R385 K387 S391 H392 E393	F195-N389 WeakPolarHBondContact CE2-OD1 3.41Å; F195-N389 VanDerWaalsContact CZ-OD1 3.22Å; F195-N389 WeakPolarHBondContact CZ-OD1 3.47Å; M199-N389 VanDerWaalsContact CE-OD1 3.31Å; M199-N389 WeakPolarHBondContact CE-OD1 3.26Å; R385-N389 WeakPolarHBondContact O-CB 3.15Å; R385-N389 VanDerWaalsContact O-CG 3.3Å; R385-N389 PolarHBondContact O-N 3.28Å; K387-N389 VanDerWaalsContact C-N 3.35Å; N389-S391 VanDerWaalsContact C-N 3.3Å; N389-S391 PolarHBondContact O-N 3.33Å; N389-H392 PolarHBondContact O-N 3.07Å; N389-E393 WeakPolarHBondContact O-CB 3.45Å; N389-E393 WeakPolarHBondContact O-CG 3.39Å; N389-E393 PolarHBondContact O-N 3.13Å
390	S	75.8	Confident	73.5	Confident	70 Å²	70	57.1 Å²	57.1	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-38	177.2	176.7	0	0	0	0	112.4	T386 K387 L388 A394	T386-S390 WeakPolarHBondContact O-CB 3.37Å; T386-S390 PolarHBondContact O-N 3.13Å; K387-S390 PolarHBondContact O-N 2.82Å; L388-S390 PolarHBondContact O-N 3.4Å; S390-A394 WeakPolarHBondContact O-CB 3.45Å; S390-A394 PolarHBondContact O-N 3.43Å
391	S	69.9	Low	73.7	Confident	34 Å²	34	63.2 Å²	63.2	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-43.3	175.6	-170.1	0	0	0	0	112.1	K387 L388 N389 A394 F395	K387-S391 PolarHBondContact O-N 3.21Å; L388-S391 PolarHBondContact O-N 3.45Å; N389-S391 VanDerWaalsContact C-N 3.3Å; N389-S391 PolarHBondContact O-N 3.33Å; S391-A394 PolarHBondContact O-N 3.32Å; S391-F395 WeakPolarHBondContact O-CB 3.45Å; S391-F395 PolarHBondContact O-N 3.33Å
392	H	76.9	Confident	73.6	Confident	53 Å²	53	64 Å²	64	25%	0.245	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.1	177.9	64	0	0	0	111.6	E191 F195 L388 N389 A394 F395 A396	E191-H392 VanDerWaalsContact CD-ND1 3.26Å; E191-H392 IonicContact OE1-CE1 3.31Å; E191-H392 IonicContact OE1-CG 3.15Å; E191-H392 IonicContact OE1-ND1 2.64Å; E191-H392 PolarHBondContact OE1-ND1 3.34Å; E191-H392 IonicContact OE2-CE1 3.7Å; E191-H392 PolarHBondContact OE2-CE1 3.39Å; E191-H392 IonicContact OE2-ND1 3.78Å; E191-H392 PolarHBondContact OE2-ND1 3.49Å; F195-H392 HydrophobicContact CD2-CB 3.51Å; F195-H392 AromaticContact CD2-CG 3.73Å; F195-H392 HydrophobicContact CE2-CB 3.67Å; F195-H392 AromaticContact CE2-CG 3.98Å; F195-H392 HydrophobicContact CG-CB 4.15Å; F195-H392 AromaticContact CG-CG 3.86Å; F195-H392 AromaticContact CG-ND1 3.82Å; F195-H392 HydrophobicContact CZ-CB 4.43Å; L388-H392 WeakPolarHBondContact O-CB 3.45Å; L388-H392 PolarHBondContact O-N 3.42Å; N389-H392 PolarHBondContact O-N 3.07Å; H392-A394 PolarHBondContact O-N 3.39Å; H392-F395 PolarHBondContact O-N 3.48Å; H392-A396 WeakPolarHBondContact O-CB 3.3Å; H392-A396 PolarHBondContact O-N 3.07Å
393	E	79.9	Confident	73.5	Confident	132 Å²	132	63.9 Å²	63.9	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-62.8	-41.9	175.7	-74.8	174.7	-173.9	0	0	112.1	N389 A396 A397	N389-E393 WeakPolarHBondContact O-CB 3.45Å; N389-E393 WeakPolarHBondContact O-CG 3.39Å; N389-E393 PolarHBondContact O-N 3.13Å; E393-A396 PolarHBondContact O-N 3.35Å; E393-A397 VanDerWaalsContact O-CB 3.31Å; E393-A397 WeakPolarHBondContact O-CB 3.36Å; E393-A397 PolarHBondContact O-N 3.14Å
394	A	72.7	Confident	73.7	Confident	50 Å²	50	67 Å²	67	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-39.3	176.5	0	0	0	0	0	112.2	S390 S391 H392 A397 S398	S390-A394 WeakPolarHBondContact O-CB 3.45Å; S390-A394 PolarHBondContact O-N 3.43Å; S391-A394 PolarHBondContact O-N 3.32Å; H392-A394 PolarHBondContact O-N 3.39Å; A394-A397 PolarHBondContact O-N 3.07Å; A394-S398 WeakPolarHBondContact O-CB 3.39Å; A394-S398 PolarHBondContact O-N 3.37Å; A394-S398 PolarHBondContact O-OG 2.89Å
395	F	71.9	Confident	73.9	Confident	44 Å²	44	67.2 Å²	67.2	19%	0.193	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-50.4	173.5	-175.3	-82.9	0	0	0	110.8	T187 E191 L315 S391 H392 A397 S398 L399	T187-F395 HydrophobicContact CG2-CE1 4.5Å; T187-F395 HydrophobicContact CG2-CZ 3.9Å; E191-F395 HydrophobicContact CB-CD1 3.96Å; E191-F395 HydrophobicContact CB-CE1 3.42Å; E191-F395 VanDerWaalsContact CB-CE1 3.42Å; E191-F395 HydrophobicContact CB-CE2 4.38Å; E191-F395 HydrophobicContact CB-CZ 3.67Å; E191-F395 HydrophobicContact CG-CD1 3.41Å; E191-F395 VanDerWaalsContact CG-CD1 3.41Å; E191-F395 HydrophobicContact CG-CD2 4Å; E191-F395 HydrophobicContact CG-CE1 3.41Å; E191-F395 VanDerWaalsContact CG-CE1 3.41Å; E191-F395 HydrophobicContact CG-CE2 3.99Å; E191-F395 HydrophobicContact CG-CG 3.74Å; E191-F395 HydrophobicContact CG-CZ 3.71Å; L315-F395 HydrophobicContact CD2-CD2 3.16Å; L315-F395 HydrophobicContact CD2-CE2 3.12Å; L315-F395 HydrophobicContact CD2-CG 3.94Å; L315-F395 HydrophobicContact CD2-CZ 3.87Å; S391-F395 WeakPolarHBondContact O-CB 3.45Å; S391-F395 PolarHBondContact O-N 3.33Å; H392-F395 PolarHBondContact O-N 3.48Å; F395-A397 VanDerWaalsContact C-N 3.3Å; F395-A397 PolarHBondContact O-N 3.18Å; F395-S398 PolarHBondContact O-N 3.42Å; F395-L399 HydrophobicContact CE1-CD2 4.27Å; F395-L399 WeakPolarHBondContact O-CB 3.45Å; F395-L399 PolarHBondContact O-N 3.46Å
396	A	77.2	Confident	73.6	Confident	25 Å²	25	64 Å²	64	21%	0.207	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-39.8	178.4	0	0	0	0	0	112.1	H392 E393 L399 R400	H392-A396 WeakPolarHBondContact O-CB 3.3Å; H392-A396 PolarHBondContact O-N 3.07Å; E393-A396 PolarHBondContact O-N 3.35Å; A396-L399 PolarHBondContact O-N 2.9Å; A396-R400 VanDerWaalsContact O-CG 3.32Å; A396-R400 WeakPolarHBondContact O-CG 3.42Å; A396-R400 PolarHBondContact O-N 3.16Å
397	A	77.6	Confident	73.3	Confident	52 Å²	52	63.2 Å²	63.2	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-43.8	175.6	0	0	0	0	0	112.2	E393 A394 F395 L399 R400 Q401	E393-A397 VanDerWaalsContact O-CB 3.31Å; E393-A397 WeakPolarHBondContact O-CB 3.36Å; E393-A397 PolarHBondContact O-N 3.14Å; A394-A397 PolarHBondContact O-N 3.07Å; F395-A397 VanDerWaalsContact C-N 3.3Å; F395-A397 PolarHBondContact O-N 3.18Å; A397-L399 VanDerWaalsContact C-N 3.34Å; A397-L399 PolarHBondContact O-N 3.39Å; A397-R400 PolarHBondContact O-N 3.02Å; A397-Q401 PolarHBondContact O-N 2.54Å
398	S	70.9	Confident	73.3	Confident	38 Å²	38	60.7 Å²	60.7	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-40.3	176.9	-56.8	0	0	0	0	111.5	A394 F395 Q401 L402	A394-S398 WeakPolarHBondContact O-CB 3.39Å; A394-S398 PolarHBondContact O-N 3.37Å; A394-S398 PolarHBondContact O-OG 2.89Å; F395-S398 PolarHBondContact O-N 3.42Å; S398-Q401 PolarHBondContact O-N 2.85Å; S398-L402 WeakPolarHBondContact O-CB 3.4Å; S398-L402 PolarHBondContact O-N 3.46Å
399	L	71.9	Confident	73.4	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-66	-41.3	176.1	-168.3	68.3	0	0	0	111.5	L184 T187 R188 F395 A396 A397 L402 E403	L184-L399 HydrophobicContact CD2-CD1 3.8Å; T187-L399 HydrophobicContact CG2-CD1 4.46Å; R188-L399 HydrophobicContact CB-CD2 3.8Å; R188-L399 HydrophobicContact CG-CD2 4.32Å; F395-L399 HydrophobicContact CE1-CD2 4.27Å; F395-L399 WeakPolarHBondContact O-CB 3.45Å; F395-L399 PolarHBondContact O-N 3.46Å; A396-L399 PolarHBondContact O-N 2.9Å; A397-L399 VanDerWaalsContact C-N 3.34Å; A397-L399 PolarHBondContact O-N 3.39Å; L399-L402 WeakPolarHBondContact O-CB 3.25Å; L399-L402 PolarHBondContact O-N 2.94Å; L399-E403 WeakPolarHBondContact O-CG 3.11Å; L399-E403 PolarHBondContact O-N 3Å
400	R	78.1	Confident	72.9	Confident	161 Å²	161	62.3 Å²	62.3	61%	0.608	35%	0.346	S	S	*	.	H	α-helix	trans	-62.9	-41.1	174.3	-76.1	178.5	-161.9	157.3	6.7	112.6	A396 A397 L402 E403 E404	A396-R400 VanDerWaalsContact O-CG 3.32Å; A396-R400 WeakPolarHBondContact O-CG 3.42Å; A396-R400 PolarHBondContact O-N 3.16Å; A397-R400 PolarHBondContact O-N 3.02Å; R400-L402 VanDerWaalsContact C-N 3.31Å; R400-L402 PolarHBondContact O-N 2.83Å; R400-E403 WeakPolarHBondContact O-CB 3.41Å; R400-E403 PolarHBondContact O-N 3.14Å; R400-E404 WeakPolarHBondContact O-CG 3.4Å; R400-E404 PolarHBondContact O-N 3.13Å
401	Q	73.8	Confident	72.8	Confident	145 Å²	145	64.5 Å²	64.5	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-39.5	176.7	-171.8	-180	9.2	0	0	111.5	A397 S398 E403 G405	A397-Q401 PolarHBondContact O-N 2.54Å; S398-Q401 PolarHBondContact O-N 2.85Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; Q401-G405 PolarHBondContact O-N 3.37Å
402	L	68	Low	73.1	Confident	22 Å²	22	72.4 Å²	72.4	12%	0.115	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-41.3	173.4	-174.8	65.4	0	0	0	110.9	L184 H311 S398 L399 R400 H406	L184-L402 HydrophobicContact CD2-CD2 3.71Å; L184-L402 HydrophobicContact CD2-CG 4.24Å; H311-L402 HydrophobicContact CB-CD1 3.95Å; S398-L402 WeakPolarHBondContact O-CB 3.4Å; S398-L402 PolarHBondContact O-N 3.46Å; L399-L402 WeakPolarHBondContact O-CB 3.25Å; L399-L402 PolarHBondContact O-N 2.94Å; R400-L402 VanDerWaalsContact C-N 3.31Å; R400-L402 PolarHBondContact O-N 2.83Å; L402-H406 WeakPolarHBondContact CD1-NE2 3.45Å; L402-H406 VanDerWaalsContact O-CB 3.26Å; L402-H406 WeakPolarHBondContact O-CB 3.46Å; L402-H406 PolarHBondContact O-CD2 3.19Å; L402-H406 VanDerWaalsContact O-CG 3.32Å; L402-H406 PolarHBondContact O-N 3.47Å
403	E	71.4	Confident	73	Confident	48 Å²	48	71 Å²	71	22%	0.224	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-53.8	173.4	-77.1	-179.4	144.3	0	0	111.8	L184 R188 L399 R400 Q401 G405 H406 T407	L184-E403 HydrophobicContact CD1-CG 3.99Å; R188-E403 IonicContact CZ-OE1 2.68Å; R188-E403 IonicContact NH1-OE1 2.84Å; R188-E403 IonicContact NH2-OE1 3.82Å; R188-E403 PolarHBondContact NH2-OE1 3.48Å; R188-E403 IonicContact NH2-OE2 3.49Å; R188-E403 PolarHBondContact NH2-OE2 2.91Å; L399-E403 WeakPolarHBondContact O-CG 3.11Å; L399-E403 PolarHBondContact O-N 3Å; R400-E403 WeakPolarHBondContact O-CB 3.41Å; R400-E403 PolarHBondContact O-N 3.14Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; E403-G405 VanDerWaalsContact C-N 3.33Å; E403-G405 PolarHBondContact O-N 3.39Å; E403-H406 CarbonylContact O-C 3.52Å; E403-H406 WeakPolarHBondContact O-CA 3.39Å; E403-H406 WeakPolarHBondContact O-CB 3.16Å; E403-H406 PolarHBondContact O-N 2.89Å; E403-T407 PolarHBondContact O-N 2.93Å; E403-T407 PolarHBondContact O-OG1 3.4Å
404	E	75.9	Confident	72.9	Confident	148 Å²	148	69.2 Å²	69.2	69%	0.692	36%	0.36	S	S	*	.	H	α-helix	trans	-57	-44.3	179.3	-74.2	175.4	-177.6	0	0	112.4	R400 H406 T407 G408	R400-E404 WeakPolarHBondContact O-CG 3.4Å; R400-E404 PolarHBondContact O-N 3.13Å; E404-H406 VanDerWaalsContact C-N 3.32Å; E404-H406 PolarHBondContact O-N 3.29Å; E404-T407 PolarHBondContact O-N 3.49Å; E404-G408 PolarHBondContact O-N 3.26Å
405	G	71.1	Confident	73.3	Confident	53 Å²	53	71.6 Å²	71.6	55%	0.546	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-36.5	174.2	0	0	0	0	0	112.8	Q401 E403 R409	Q401-G405 PolarHBondContact O-N 3.37Å; E403-G405 VanDerWaalsContact C-N 3.33Å; E403-G405 PolarHBondContact O-N 3.39Å; G405-R409 PolarHBondContact O-N 3.26Å
406	H	68.1	Low	73.8	Confident	10 Å²	10	73.1 Å²	73.1	5%	0.046	38%	0.376	C	S	.	.	H	α-helix	trans	-72.8	-39.9	174.2	-81.1	-49.4	0	0	0	113.1	L402 E403 E404 G408 R409 L410	L402-H406 WeakPolarHBondContact CD1-NE2 3.45Å; L402-H406 VanDerWaalsContact O-CB 3.26Å; L402-H406 WeakPolarHBondContact O-CB 3.46Å; L402-H406 PolarHBondContact O-CD2 3.19Å; L402-H406 VanDerWaalsContact O-CG 3.32Å; L402-H406 PolarHBondContact O-N 3.47Å; E403-H406 CarbonylContact O-C 3.52Å; E403-H406 WeakPolarHBondContact O-CA 3.39Å; E403-H406 WeakPolarHBondContact O-CB 3.16Å; E403-H406 PolarHBondContact O-N 2.89Å; E404-H406 VanDerWaalsContact C-N 3.32Å; E404-H406 PolarHBondContact O-N 3.29Å; H406-G408 PolarHBondContact O-N 3.39Å; H406-R409 CarbonylContact O-C 3.5Å; H406-R409 WeakPolarHBondContact O-CA 3.33Å; H406-R409 WeakPolarHBondContact O-CB 3.5Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å; H406-L410 HydrophobicContact CB-CD1 4.18Å; H406-L410 VanDerWaalsContact O-CB 3.31Å; H406-L410 WeakPolarHBondContact O-CB 3.3Å; H406-L410 WeakPolarHBondContact O-CD1 3.38Å; H406-L410 VanDerWaalsContact O-CG 3.23Å; H406-L410 WeakPolarHBondContact O-CG 3.43Å; H406-L410 PolarHBondContact O-N 3.49Å
407	T	69.6	Low	74	Confident	70 Å²	70	72.6 Å²	72.6	43%	0.429	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-46.2	-178.4	-44.6	0	0	0	0	110.2	E403 E404 R409 L410 E411	E403-T407 PolarHBondContact O-N 2.93Å; E403-T407 PolarHBondContact O-OG1 3.4Å; E404-T407 PolarHBondContact O-N 3.49Å; T407-R409 VanDerWaalsContact C-N 3.31Å; T407-R409 PolarHBondContact O-N 3.47Å; T407-L410 WeakPolarHBondContact O-CB 3.49Å; T407-L410 PolarHBondContact O-N 3.39Å; T407-L410 VanDerWaalsContact O-N 3.17Å; T407-E411 WeakPolarHBondContact O-CG 3.2Å; T407-E411 PolarHBondContact O-N 2.96Å
408	G	70.4	Confident	74.1	Confident	32 Å²	32	72.2 Å²	72.2	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-30.9	175.2	0	0	0	0	0	113.8	E404 H406 R412	E404-G408 PolarHBondContact O-N 3.26Å; H406-G408 PolarHBondContact O-N 3.39Å; G408-R412 WeakPolarHBondContact O-CG 3.36Å; G408-R412 PolarHBondContact O-N 2.93Å
409	R	70.8	Confident	74.8	Confident	88 Å²	88	76.3 Å²	76.3	33%	0.332	37%	0.369	S	S	.	.	H	α-helix	trans	-72.6	-39.6	171.9	-168.5	-176.5	72.1	133.4	10	111.4	D176 G405 H406 T407 R412 T413	D176-R409 IonicContact OD1-NH2 3.65Å; D176-R409 IonicContact OD2-CZ 2.73Å; D176-R409 IonicContact OD2-NH1 3.16Å; D176-R409 IonicContact OD2-NH2 2.7Å; D176-R409 PolarHBondContact OD2-NH2 2.94Å; G405-R409 PolarHBondContact O-N 3.26Å; H406-R409 CarbonylContact O-C 3.5Å; H406-R409 WeakPolarHBondContact O-CA 3.33Å; H406-R409 WeakPolarHBondContact O-CB 3.5Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å; T407-R409 VanDerWaalsContact C-N 3.31Å; T407-R409 PolarHBondContact O-N 3.47Å; R409-R412 PolarHBondContact O-N 3.22Å; R409-T413 VanDerWaalsContact O-CB 3.26Å; R409-T413 WeakPolarHBondContact O-CB 3.28Å; R409-T413 PolarHBondContact O-N 2.87Å; R409-T413 PolarHBondContact O-OG1 3.32Å
410	L	68	Low	75.4	Confident	27 Å²	27	76.6 Å²	76.6	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-46.2	179.4	-78.5	155.6	0	0	0	110.3	L177 H406 T407 R412 T413 E414	L177-L410 HydrophobicContact CB-CD2 4.47Å; L177-L410 HydrophobicContact CD2-CB 4.29Å; L177-L410 HydrophobicContact CD2-CD2 3.57Å; L177-L410 HydrophobicContact CG-CD2 4.23Å; H406-L410 HydrophobicContact CB-CD1 4.18Å; H406-L410 VanDerWaalsContact O-CB 3.31Å; H406-L410 WeakPolarHBondContact O-CB 3.3Å; H406-L410 WeakPolarHBondContact O-CD1 3.38Å; H406-L410 VanDerWaalsContact O-CG 3.23Å; H406-L410 WeakPolarHBondContact O-CG 3.43Å; H406-L410 PolarHBondContact O-N 3.49Å; T407-L410 WeakPolarHBondContact O-CB 3.49Å; T407-L410 PolarHBondContact O-N 3.39Å; T407-L410 VanDerWaalsContact O-N 3.17Å; L410-R412 PolarHBondContact O-N 3.48Å; L410-T413 CarbonylContact O-C 3.45Å; L410-T413 WeakPolarHBondContact O-CA 3.46Å; L410-T413 WeakPolarHBondContact O-CB 3.38Å; L410-T413 PolarHBondContact O-N 3.46Å; L410-T413 VanDerWaalsContact O-N 3.11Å; L410-E414 WeakPolarHBondContact O-CB 3.37Å; L410-E414 PolarHBondContact O-N 3.34Å
411	E	75	Confident	75.5	Confident	117 Å²	117	70.1 Å²	70.1	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-48.9	175.4	-72.8	174.2	-179.3	0	0	111.8	T407 T413 E414 D415	T407-E411 WeakPolarHBondContact O-CG 3.2Å; T407-E411 PolarHBondContact O-N 2.96Å; E411-T413 VanDerWaalsContact C-N 3.29Å; E411-T413 PolarHBondContact O-N 3.46Å; E411-E414 PolarHBondContact O-N 2.94Å; E411-D415 PolarHBondContact O-N 2.98Å
412	R	76.7	Confident	75.8	Confident	199 Å²	199	69.4 Å²	69.4	75%	0.751	34%	0.341	S	S	*	.	H	α-helix	trans	-62.6	-37.2	175.7	-68.6	177.2	-173.9	174.7	3.8	112.5	G408 R409 L410 L416	G408-R412 WeakPolarHBondContact O-CG 3.36Å; G408-R412 PolarHBondContact O-N 2.93Å; R409-R412 PolarHBondContact O-N 3.22Å; L410-R412 PolarHBondContact O-N 3.48Å; R412-L416 VanDerWaalsContact O-CB 3.3Å; R412-L416 WeakPolarHBondContact O-CB 3.5Å; R412-L416 PolarHBondContact O-N 2.6Å
413	T	73.2	Confident	76.6	Confident	23 Å²	23	72.2 Å²	72.2	14%	0.141	36%	0.356	C	S	.	.	H	α-helix	trans	-69.4	-38.9	177.8	-57.6	0	0	0	0	110.1	M173 R409 L410 E411 L416 W417	M173-T413 HydrophobicContact CB-CG2 4.01Å; M173-T413 HydrophobicContact CE-CG2 3.66Å; M173-T413 WeakPolarHBondContact CE-O 3.33Å; M173-T413 HydrophobicContact CG-CG2 4.14Å; R409-T413 VanDerWaalsContact O-CB 3.26Å; R409-T413 WeakPolarHBondContact O-CB 3.28Å; R409-T413 PolarHBondContact O-N 2.87Å; R409-T413 PolarHBondContact O-OG1 3.32Å; L410-T413 CarbonylContact O-C 3.45Å; L410-T413 WeakPolarHBondContact O-CA 3.46Å; L410-T413 WeakPolarHBondContact O-CB 3.38Å; L410-T413 PolarHBondContact O-N 3.46Å; L410-T413 VanDerWaalsContact O-N 3.11Å; E411-T413 VanDerWaalsContact C-N 3.29Å; E411-T413 PolarHBondContact O-N 3.46Å; T413-L416 PolarHBondContact O-N 2.91Å; T413-W417 WeakPolarHBondContact O-CB 3.45Å; T413-W417 PolarHBondContact O-N 2.74Å
414	E	77.9	Confident	77.4	Confident	96 Å²	96	73.4 Å²	73.4	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-65	-46.4	176	-172	173.9	-168.2	0	0	110.8	L177 L410 E411 L416 W417 L418	L177-E414 HydrophobicContact CD1-CB 4.43Å; L177-E414 HydrophobicContact CD2-CB 4.06Å; L410-E414 WeakPolarHBondContact O-CB 3.37Å; L410-E414 PolarHBondContact O-N 3.34Å; E411-E414 PolarHBondContact O-N 2.94Å; E414-L416 PolarHBondContact O-N 3.46Å; E414-W417 WeakPolarHBondContact O-CB 3.32Å; E414-W417 PolarHBondContact O-N 2.73Å; E414-L418 HydrophobicContact CG-CD1 4.42Å; E414-L418 WeakPolarHBondContact O-CB 3.32Å; E414-L418 VanDerWaalsContact O-CG 3.24Å; E414-L418 WeakPolarHBondContact O-CG 3.41Å; E414-L418 PolarHBondContact O-N 3.38Å
415	D	82.3	Confident	78	Confident	99 Å²	99	66.4 Å²	66.4	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-44.4	175.2	-79.7	-19.5	0	0	0	112.5	E411 L418 R419	E411-D415 PolarHBondContact O-N 2.98Å; D415-L418 PolarHBondContact O-N 2.98Å; D415-R419 WeakPolarHBondContact O-CG 3.32Å; D415-R419 PolarHBondContact O-N 2.95Å
416	L	81.2	Confident	78.8	Confident	76 Å²	76	64.3 Å²	64.3	40%	0.398	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-41.6	176.8	-173.9	70.8	0	0	0	110.9	M173 R412 T413 E414 L418 R419 V420	M173-L416 HydrophobicContact CE-CB 3.69Å; M173-L416 HydrophobicContact CE-CD2 3.72Å; M173-L416 HydrophobicContact CE-CG 3.78Å; R412-L416 VanDerWaalsContact O-CB 3.3Å; R412-L416 WeakPolarHBondContact O-CB 3.5Å; R412-L416 PolarHBondContact O-N 2.6Å; T413-L416 PolarHBondContact O-N 2.91Å; E414-L416 PolarHBondContact O-N 3.46Å; L416-L418 VanDerWaalsContact C-N 3.34Å; L416-L418 PolarHBondContact O-N 3.13Å; L416-R419 PolarHBondContact O-N 2.74Å; L416-V420 WeakPolarHBondContact O-CG2 3.37Å; L416-V420 PolarHBondContact O-N 3.09Å
417	W	82.3	Confident	79.8	Confident	14 Å²	14	71.7 Å²	71.7	5%	0.053	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-43.2	175.8	174.1	80.2	0	0	0	111.1	A170 M173 L177 T413 E414 R419 V420 R421	A170-W417 PolarHBondContact O-NE1 3.41Å; M173-W417 HydrophobicContact CB-CB 4.32Å; M173-W417 HydrophobicContact CB-CG 4.48Å; M173-W417 HydrophobicContact CE-CB 3.82Å; L177-W417 HydrophobicContact CD1-CB 4.46Å; L177-W417 HydrophobicContact CD1-CG 4.41Å; T413-W417 WeakPolarHBondContact O-CB 3.45Å; T413-W417 PolarHBondContact O-N 2.74Å; E414-W417 WeakPolarHBondContact O-CB 3.32Å; E414-W417 PolarHBondContact O-N 2.73Å; W417-R419 PolarHBondContact O-N 3.31Å; W417-V420 PolarHBondContact O-N 3.45Å; W417-R421 WeakPolarHBondContact O-CB 3.13Å; W417-R421 PolarHBondContact O-N 3.22Å
418	L	80.6	Confident	80.9	Confident	45 Å²	45	70 Å²	70	24%	0.236	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-44.5	175.2	-76.4	175.5	0	0	0	111.7	E414 D415 L416 R421 K422	E414-L418 HydrophobicContact CG-CD1 4.42Å; E414-L418 WeakPolarHBondContact O-CB 3.32Å; E414-L418 VanDerWaalsContact O-CG 3.24Å; E414-L418 WeakPolarHBondContact O-CG 3.41Å; E414-L418 PolarHBondContact O-N 3.38Å; D415-L418 PolarHBondContact O-N 2.98Å; L416-L418 VanDerWaalsContact C-N 3.34Å; L416-L418 PolarHBondContact O-N 3.13Å; L418-R421 PolarHBondContact O-N 3.01Å; L418-K422 VanDerWaalsContact O-CB 3.26Å; L418-K422 WeakPolarHBondContact O-CB 3.43Å; L418-K422 WeakPolarHBondContact O-CG 3.47Å; L418-K422 PolarHBondContact O-N 3.35Å
419	R	84.6	Confident	81.9	Confident	124 Å²	124	68.5 Å²	68.5	47%	0.468	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-44.4	176.4	-74	-174.3	-68.7	169.2	-2.5	112.6	D415 L416 W417 R421 D423 H424	D415-R419 WeakPolarHBondContact O-CG 3.32Å; D415-R419 PolarHBondContact O-N 2.95Å; L416-R419 PolarHBondContact O-N 2.74Å; W417-R419 PolarHBondContact O-N 3.31Å; R419-R421 VanDerWaalsContact C-N 3.29Å; R419-R421 PolarHBondContact O-N 2.96Å; R419-D423 WeakPolarHBondContact O-CA 3.37Å; R419-D423 WeakPolarHBondContact O-CB 3.41Å; R419-D423 PolarHBondContact O-N 2.68Å; R419-H424 PolarHBondContact O-N 3.37Å
420	V	84	Confident	83	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.067	30%	0.302	C	S	.	.	I	π-helix	trans	-57.3	-47.3	174.9	166.7	0	0	0	0	110.2	F166 A170 L416 W417 A425	F166-V420 HydrophobicContact CB-CG1 4.37Å; F166-V420 HydrophobicContact CD1-CG1 4.06Å; F166-V420 HydrophobicContact CD1-CG2 4.3Å; F166-V420 WeakPolarHBondContact O-CG1 3.33Å; A170-V420 HydrophobicContact CB-CG1 3.82Å; L416-V420 WeakPolarHBondContact O-CG2 3.37Å; L416-V420 PolarHBondContact O-N 3.09Å; W417-V420 PolarHBondContact O-N 3.45Å; V420-A425 VanDerWaalsContact O-CB 3.28Å; V420-A425 WeakPolarHBondContact O-CB 3.35Å; V420-A425 PolarHBondContact O-N 3.45Å
421	R	80.6	Confident	84.3	Confident	25 Å²	25	69.7 Å²	69.7	9%	0.094	31%	0.313	C	S	.	.	I	π-helix	trans	-70	-45.5	-177.4	178.4	172.4	71.3	139.3	-2.9	113.9	W417 L418 R419 P426 M599 S601	W417-R421 WeakPolarHBondContact O-CB 3.13Å; W417-R421 PolarHBondContact O-N 3.22Å; L418-R421 PolarHBondContact O-N 3.01Å; R419-R421 VanDerWaalsContact C-N 3.29Å; R419-R421 PolarHBondContact O-N 2.96Å; R421-P426 WeakPolarHBondContact O-CD 3.4Å; R421-P426 VanDerWaalsContact O-CG 3.28Å; R421-P426 WeakPolarHBondContact O-CG 3.14Å; R421-M599 HydrophobicContact CB-CE 4.35Å; R421-M599 HydrophobicContact CG-CE 3.74Å; R421-M599 HydrophobicContact CG-CG 4.48Å; R421-M599 PolarHBondContact NH1-O 3.43Å; R421-S601 PolarHBondContact NH1-O 3.22Å
422	K	81.3	Confident	85.2	Confident	131 Å²	131	64.2 Å²	64.2	57%	0.57	29%	0.288	S	S	*	.	I	π-helix	trans	-93.6	-26.9	-170.6	-68.2	-176.2	173.1	178.5	0	113.6	L418	L418-K422 VanDerWaalsContact O-CB 3.26Å; L418-K422 WeakPolarHBondContact O-CB 3.43Å; L418-K422 WeakPolarHBondContact O-CG 3.47Å; L418-K422 PolarHBondContact O-N 3.35Å
423	D	82.9	Confident	86.1	Confident	80 Å²	80	54.8 Å²	54.8	43%	0.428	25%	0.252	S	S	.	.	I	π-helix	trans	-116.7	-55.1	-171.7	-52.9	-33.7	0	0	0	112.2	R419 R427	R419-D423 WeakPolarHBondContact O-CA 3.37Å; R419-D423 WeakPolarHBondContact O-CB 3.41Å; R419-D423 PolarHBondContact O-N 2.68Å; D423-R427 WeakPolarHBondContact O-CB 3.42Å; D423-R427 VanDerWaalsContact O-CD 3.29Å; D423-R427 WeakPolarHBondContact O-CD 3.33Å; D423-R427 WeakPolarHBondContact O-CG 3.17Å; D423-R427 PolarHBondContact O-N 3.45Å
424	H	88.3	Confident	87.2	Confident	74 Å²	74	57 Å²	57	34%	0.343	26%	0.261	S	S	.	.	I	π-helix	trans	-78.1	-52.8	-169.6	-61.7	-56.9	0	0	0	113.6	F166 R419 R427 L428	F166-H424 HydrophobicContact CD1-CB 3.77Å; F166-H424 HydrophobicContact CE1-CB 3.62Å; R419-H424 PolarHBondContact O-N 3.37Å; H424-R427 PolarHBondContact O-N 3.19Å; H424-L428 PolarHBondContact O-N 2.96Å
425	A	88.3	Confident	88	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-44.1	-179.7	0	0	0	0	0	112.3	L163 F166 V420 R427 L428 A429 L491	L163-A425 HydrophobicContact CD1-CB 4.01Å; L163-A425 VanDerWaalsContact CD1-O 3.25Å; L163-A425 WeakPolarHBondContact CD1-O 3.22Å; F166-A425 HydrophobicContact CB-CB 4.47Å; V420-A425 VanDerWaalsContact O-CB 3.28Å; V420-A425 WeakPolarHBondContact O-CB 3.35Å; V420-A425 PolarHBondContact O-N 3.45Å; A425-R427 PolarHBondContact O-N 3.32Å; A425-L428 PolarHBondContact O-N 3.36Å; A425-A429 WeakPolarHBondContact O-CB 3.45Å; A425-A429 PolarHBondContact O-N 2.77Å; A425-L491 HydrophobicContact CB-CD1 4.36Å
426	P	87.9	Confident	88.5	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-35.1	179.2	-21.4	35.4	0	0	0	113.4	R421 A429 R430 N487 L491	R421-P426 WeakPolarHBondContact O-CD 3.4Å; R421-P426 VanDerWaalsContact O-CG 3.28Å; R421-P426 WeakPolarHBondContact O-CG 3.14Å; P426-A429 PolarHBondContact O-N 2.81Å; P426-R430 PolarHBondContact O-N 2.88Å; P426-R430 VanDerWaalsContact O-N 3.08Å; P426-N487 HydrophobicContact CB-CB 3.55Å; P426-L491 HydrophobicContact CB-CD1 4.46Å; P426-L491 HydrophobicContact CG-CD1 4.38Å
427	R	90.1	Very high	89.2	Confident	165 Å²	165	46.6 Å²	46.6	62%	0.623	21%	0.207	S	C	*	.	H	α-helix	trans	-68.2	-40.7	174.1	-72.2	174.9	67.8	-176.3	1.7	112.7	D423 H424 A425 A429 R430 L431	D423-R427 WeakPolarHBondContact O-CB 3.42Å; D423-R427 VanDerWaalsContact O-CD 3.29Å; D423-R427 WeakPolarHBondContact O-CD 3.33Å; D423-R427 WeakPolarHBondContact O-CG 3.17Å; D423-R427 PolarHBondContact O-N 3.45Å; H424-R427 PolarHBondContact O-N 3.19Å; A425-R427 PolarHBondContact O-N 3.32Å; R427-A429 VanDerWaalsContact C-N 3.32Å; R427-R430 WeakPolarHBondContact O-CB 3.18Å; R427-R430 PolarHBondContact O-N 3.44Å; R427-L431 PolarHBondContact O-N 2.8Å
428	L	92.3	Very high	89.8	Confident	34 Å²	34	50.1 Å²	50.1	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-36.4	174.2	-79.2	171.4	0	0	0	111.8	C162 L163 F166 H424 A425 R430 L431 S432	C162-L428 HydrophobicContact CB-CD2 4.42Å; L163-L428 HydrophobicContact CB-CB 4.38Å; L163-L428 HydrophobicContact CD1-CB 4.09Å; F166-L428 HydrophobicContact CB-CD1 4.45Å; F166-L428 HydrophobicContact CD1-CD1 4.43Å; F166-L428 HydrophobicContact CD2-CD1 3.35Å; F166-L428 HydrophobicContact CE2-CD1 3.54Å; F166-L428 HydrophobicContact CG-CD1 3.84Å; F166-L428 HydrophobicContact CZ-CD1 4.18Å; H424-L428 PolarHBondContact O-N 2.96Å; A425-L428 PolarHBondContact O-N 3.36Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 2.84Å; L428-L431 HydrophobicContact CD2-CD1 4.4Å; L428-L431 PolarHBondContact O-N 3Å; L428-S432 PolarHBondContact O-N 3.32Å
429	A	92.5	Very high	90.4	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-39.7	174	0	0	0	0	0	112.5	L163 A425 P426 R427 L431 S432 L433 A490 L491	L163-A429 HydrophobicContact CD1-CB 4.24Å; L163-A429 HydrophobicContact CD2-CB 3.7Å; A425-A429 WeakPolarHBondContact O-CB 3.45Å; A425-A429 PolarHBondContact O-N 2.77Å; P426-A429 PolarHBondContact O-N 2.81Å; R427-A429 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 3.23Å; A429-S432 WeakPolarHBondContact O-CB 3.48Å; A429-S432 PolarHBondContact O-N 3.12Å; A429-L433 PolarHBondContact O-N 3.46Å; A429-A490 VanDerWaalsContact C-CB 3.48Å; A429-A490 HydrophobicContact CB-CB 4.01Å; A429-L491 HydrophobicContact CB-CB 4.43Å; A429-L491 HydrophobicContact CB-CD1 3.77Å
430	R	93.5	Very high	90.8	Very high	67 Å²	67	44.3 Å²	44.3	25%	0.253	20%	0.201	S	C	.	.	H	α-helix	trans	-58	-47.4	171.9	173.1	167	179.2	173	1.7	112.4	P426 R427 L428 S432 L433 E434 D483 W486 A490	P426-R430 PolarHBondContact O-N 2.88Å; P426-R430 VanDerWaalsContact O-N 3.08Å; R427-R430 WeakPolarHBondContact O-CB 3.18Å; R427-R430 PolarHBondContact O-N 3.44Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 2.84Å; R430-S432 VanDerWaalsContact C-N 3.31Å; R430-S432 PolarHBondContact O-N 3.4Å; R430-L433 PolarHBondContact O-N 2.9Å; R430-E434 HydrophobicContact CG-CG 4.49Å; R430-E434 WeakPolarHBondContact CG-OE1 3.33Å; R430-E434 IonicContact NE-OE1 2.91Å; R430-E434 PolarHBondContact NE-OE1 2.5Å; R430-E434 VanDerWaalsContact NE-OE1 3.08Å; R430-E434 WeakPolarHBondContact O-CG 3.48Å; R430-E434 PolarHBondContact O-N 3.32Å; R430-D483 IonicContact CZ-OD1 3.31Å; R430-D483 IonicContact NH1-OD1 3.6Å; R430-D483 PolarHBondContact NH1-OD1 2.61Å; R430-W486 HydrophobicContact CB-CE3 4.2Å; R430-W486 HydrophobicContact CB-CZ3 4.27Å; R430-W486 HydrophobicContact CG-CE3 3.68Å; R430-W486 HydrophobicContact CG-CZ3 3.65Å; R430-A490 HydrophobicContact CB-CB 4.26Å
431	L	94.8	Very high	91.2	Very high	73 Å²	73	46.1 Å²	46.1	38%	0.382	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-39	175.6	-67.2	174.4	0	0	0	112.3	H159 R427 L428 A429 E434 S435	H159-L431 PolarHBondContact ND1-O 3.31Å; R427-L431 PolarHBondContact O-N 2.8Å; L428-L431 HydrophobicContact CD2-CD1 4.4Å; L428-L431 PolarHBondContact O-N 3Å; A429-L431 PolarHBondContact O-N 3.23Å; L431-E434 PolarHBondContact O-N 3.3Å; L431-S435 WeakPolarHBondContact O-CB 3.46Å; L431-S435 PolarHBondContact O-N 3.35Å; L431-S435 PolarHBondContact O-OG 3.12Å
432	S	94.9	Very high	91.7	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-47.4	173.6	-175.9	0	0	0	0	111.1	N156 C160 L428 A429 R430 S435 R436	N156-S432 PolarHBondContact ND2-O 3.12Å; C160-S432 PolarHBondContact SG-OG 2.93Å; C160-S432 VanDerWaalsContact SG-OG 3.38Å; L428-S432 PolarHBondContact O-N 3.32Å; A429-S432 WeakPolarHBondContact O-CB 3.48Å; A429-S432 PolarHBondContact O-N 3.12Å; R430-S432 VanDerWaalsContact C-N 3.31Å; R430-S432 PolarHBondContact O-N 3.4Å; S432-S435 PolarHBondContact O-OG 2.86Å; S432-R436 WeakPolarHBondContact O-CB 3.43Å; S432-R436 PolarHBondContact O-N 2.81Å
433	L	94.9	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-43.4	176.5	179.2	58.3	0	0	0	112.3	A429 R430 R436 S437 W486 A490 F493 S511 V525	A429-L433 PolarHBondContact O-N 3.46Å; R430-L433 PolarHBondContact O-N 2.9Å; L433-R436 PolarHBondContact O-N 3.37Å; L433-S437 VanDerWaalsContact O-CB 3.29Å; L433-S437 WeakPolarHBondContact O-CB 3.4Å; L433-S437 PolarHBondContact O-N 3.21Å; L433-W486 HydrophobicContact CB-CZ3 4.48Å; L433-W486 HydrophobicContact CD2-CH2 3.87Å; L433-W486 HydrophobicContact CD2-CZ3 3.61Å; L433-W486 HydrophobicContact CG-CH2 4.36Å; L433-W486 HydrophobicContact CG-CZ3 4.26Å; L433-A490 HydrophobicContact CB-CB 4.1Å; L433-A490 HydrophobicContact CD2-CB 4.01Å; L433-F493 HydrophobicContact CB-CD1 4.38Å; L433-F493 HydrophobicContact CD1-CB 4.38Å; L433-F493 HydrophobicContact CD1-CD1 3.56Å; L433-F493 HydrophobicContact CD1-CD2 3.96Å; L433-F493 HydrophobicContact CD1-CE1 3.65Å; L433-F493 HydrophobicContact CD1-CE2 4.06Å; L433-F493 HydrophobicContact CD1-CG 3.69Å; L433-F493 HydrophobicContact CD1-CZ 3.86Å; L433-F493 HydrophobicContact CG-CD1 4.5Å; L433-S511 WeakPolarHBondContact CD1-OG 3.45Å; L433-V525 HydrophobicContact CD2-CG1 4.01Å; L433-V525 HydrophobicContact CD2-CG2 4.35Å
434	E	95	Very high	92.3	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-62.4	-51	178.2	-74.2	171.6	-173.7	0	0	111.9	R430 L431 R436 S437 L438 W486 I513	R430-E434 HydrophobicContact CG-CG 4.49Å; R430-E434 WeakPolarHBondContact CG-OE1 3.33Å; R430-E434 IonicContact NE-OE1 2.91Å; R430-E434 PolarHBondContact NE-OE1 2.5Å; R430-E434 VanDerWaalsContact NE-OE1 3.08Å; R430-E434 WeakPolarHBondContact O-CG 3.48Å; R430-E434 PolarHBondContact O-N 3.32Å; L431-E434 PolarHBondContact O-N 3.3Å; E434-R436 VanDerWaalsContact C-N 3.28Å; E434-R436 PolarHBondContact O-N 3.48Å; E434-S437 PolarHBondContact O-N 2.95Å; E434-L438 PolarHBondContact O-N 2.89Å; E434-W486 HydrophobicContact CG-CH2 4.35Å; E434-I513 HydrophobicContact CB-CD1 4.17Å; E434-I513 HydrophobicContact CG-CD1 3.66Å
435	S	95.3	Very high	92.4	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-36.1	176.2	60.4	0	0	0	0	112.5	N156 H159 L431 S432 R439	N156-S435 WeakPolarHBondContact CA-OG 3.3Å; N156-S435 PolarHBondContact ND2-OG 3.39Å; H159-S435 WeakPolarHBondContact ND1-CB 3.35Å; H159-S435 PolarHBondContact ND1-OG 3.17Å; L431-S435 WeakPolarHBondContact O-CB 3.46Å; L431-S435 PolarHBondContact O-N 3.35Å; L431-S435 PolarHBondContact O-OG 3.12Å; S432-S435 PolarHBondContact O-OG 2.86Å; S435-R439 PolarHBondContact O-N 3.4Å; S435-R439 VanDerWaalsContact O-N 3.12Å
436	R	93.9	Very high	92.5	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-45.4	176	179.1	55.3	-167.7	-148.2	1.1	112.2	S432 L433 E434 L438 R439 D440 F493	S432-R436 WeakPolarHBondContact O-CB 3.43Å; S432-R436 PolarHBondContact O-N 2.81Å; L433-R436 PolarHBondContact O-N 3.37Å; E434-R436 VanDerWaalsContact C-N 3.28Å; E434-R436 PolarHBondContact O-N 3.48Å; R436-L438 VanDerWaalsContact C-N 3.3Å; R436-L438 PolarHBondContact O-N 3.44Å; R436-R439 VanDerWaalsContact NH1-NH1 3.15Å; R436-R439 VanDerWaalsContact NH2-NH1 3.17Å; R436-R439 WeakPolarHBondContact O-CB 3.45Å; R436-R439 PolarHBondContact O-N 2.88Å; R436-D440 IonicContact CZ-OD1 2.83Å; R436-D440 IonicContact CZ-OD2 3.89Å; R436-D440 IonicContact NE-OD1 2.79Å; R436-D440 PolarHBondContact NE-OD1 3.33Å; R436-D440 IonicContact NE-OD2 3.08Å; R436-D440 PolarHBondContact NE-OD2 3.04Å; R436-D440 IonicContact NH2-OD1 3.9Å; R436-D440 PolarHBondContact NH2-OD1 3.01Å; R436-D440 IonicContact NH2-OD2 3.63Å; R436-D440 PolarHBondContact NH2-OD2 3.37Å; R436-D440 WeakPolarHBondContact O-CB 3.41Å; R436-D440 PolarHBondContact O-N 3.06Å; R436-F493 HydrophobicContact CB-CE1 4.28Å; R436-F493 HydrophobicContact CB-CZ 4.49Å; R436-F493 HydrophobicContact CG-CE1 3.97Å; R436-F493 HydrophobicContact CG-CZ 3.77Å
437	S	95.4	Very high	92.6	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-45.2	175.8	162.5	0	0	0	0	110.9	L433 E434 R439 D440 V441 S511 I513	L433-S437 VanDerWaalsContact O-CB 3.29Å; L433-S437 WeakPolarHBondContact O-CB 3.4Å; L433-S437 PolarHBondContact O-N 3.21Å; E434-S437 PolarHBondContact O-N 2.95Å; S437-R439 PolarHBondContact O-N 3.25Å; S437-D440 PolarHBondContact O-N 2.9Å; S437-V441 WeakPolarHBondContact O-CB 3.42Å; S437-V441 VanDerWaalsContact O-CG2 3.31Å; S437-V441 WeakPolarHBondContact O-CG2 3.44Å; S437-V441 PolarHBondContact O-N 3.42Å; S437-S511 WeakPolarHBondContact CA-O 3.23Å; S437-I513 PolarHBondContact OG-N 2.99Å
438	L	94.8	Very high	92.6	Very high	87 Å²	87	43.6 Å²	43.6	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-56.2	-50.2	175.8	176.4	61.6	0	0	0	111.3	A152 E434 R436 D440 V441 L442	A152-L438 HydrophobicContact CB-CD2 4.39Å; A152-L438 HydrophobicContact CB-CG 4.34Å; E434-L438 PolarHBondContact O-N 2.89Å; R436-L438 VanDerWaalsContact C-N 3.3Å; R436-L438 PolarHBondContact O-N 3.44Å; L438-D440 PolarHBondContact O-N 3.33Å; L438-V441 PolarHBondContact O-N 2.89Å; L438-L442 HydrophobicContact CD1-CD1 4Å; L438-L442 HydrophobicContact CD1-CG 4.23Å; L438-L442 HydrophobicContact CG-CD1 3.95Å; L438-L442 WeakPolarHBondContact O-CB 3.39Å; L438-L442 WeakPolarHBondContact O-CG 3.25Å; L438-L442 PolarHBondContact O-N 2.88Å
439	R	93.2	Very high	92.5	Very high	48 Å²	48	45.6 Å²	45.6	18%	0.181	22%	0.224	C	C	.	.	H	α-helix	trans	-56.5	-47.4	176	176.5	-159.3	172.4	-81.9	-4	112	A152 N153 S435 R436 S437 L442 L443	A152-R439 HydrophobicContact CB-CB 3.91Å; N153-R439 WeakPolarHBondContact OD1-CD 3.43Å; N153-R439 WeakPolarHBondContact OD1-CG 3.26Å; N153-R439 PolarHBondContact OD1-NE 3.03Å; S435-R439 PolarHBondContact O-N 3.4Å; S435-R439 VanDerWaalsContact O-N 3.12Å; R436-R439 VanDerWaalsContact NH1-NH1 3.15Å; R436-R439 VanDerWaalsContact NH2-NH1 3.17Å; R436-R439 WeakPolarHBondContact O-CB 3.45Å; R436-R439 PolarHBondContact O-N 2.88Å; S437-R439 PolarHBondContact O-N 3.25Å; R439-L442 PolarHBondContact O-N 2.98Å; R439-L443 HydrophobicContact CG-CD1 3.97Å; R439-L443 VanDerWaalsContact CZ-CD1 3.41Å; R439-L443 WeakPolarHBondContact O-CB 3.13Å; R439-L443 WeakPolarHBondContact O-CG 3.49Å; R439-L443 PolarHBondContact O-N 3.03Å
440	D	93.2	Very high	92.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-39.2	-176.3	-78.5	-2.1	0	0	0	111.8	R436 S437 L438 L443 H444 W467 R497 G510 S511	R436-D440 IonicContact CZ-OD1 2.83Å; R436-D440 IonicContact CZ-OD2 3.89Å; R436-D440 IonicContact NE-OD1 2.79Å; R436-D440 PolarHBondContact NE-OD1 3.33Å; R436-D440 IonicContact NE-OD2 3.08Å; R436-D440 PolarHBondContact NE-OD2 3.04Å; R436-D440 IonicContact NH2-OD1 3.9Å; R436-D440 PolarHBondContact NH2-OD1 3.01Å; R436-D440 IonicContact NH2-OD2 3.63Å; R436-D440 PolarHBondContact NH2-OD2 3.37Å; R436-D440 WeakPolarHBondContact O-CB 3.41Å; R436-D440 PolarHBondContact O-N 3.06Å; S437-D440 PolarHBondContact O-N 2.9Å; L438-D440 PolarHBondContact O-N 3.33Å; D440-L443 PolarHBondContact O-N 3.48Å; D440-H444 WeakPolarHBondContact O-CB 3.28Å; D440-H444 PolarHBondContact O-N 3.27Å; D440-W467 HydrophobicContact CB-CH2 3.78Å; D440-W467 HydrophobicContact CB-CZ2 4.04Å; D440-R497 IonicContact OD2-NH2 3.79Å; D440-G510 WeakPolarHBondContact OD2-CA 3.33Å; D440-S511 WeakPolarHBondContact CB-O 3.35Å; D440-S511 PolarHBondContact OD2-N 2.91Å; D440-S511 VanDerWaalsContact OD2-N 3.13Å
441	V	92.6	Very high	92.5	Very high	48 Å²	48	51.9 Å²	51.9	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-42.5	172.1	172.6	0	0	0	0	111.3	S437 L438 L443 G445 V512	S437-V441 WeakPolarHBondContact O-CB 3.42Å; S437-V441 VanDerWaalsContact O-CG2 3.31Å; S437-V441 WeakPolarHBondContact O-CG2 3.44Å; S437-V441 PolarHBondContact O-N 3.42Å; L438-V441 PolarHBondContact O-N 2.89Å; V441-L443 VanDerWaalsContact C-N 3.31Å; V441-L443 PolarHBondContact O-N 3.43Å; V441-G445 WeakPolarHBondContact O-CA 3.25Å; V441-G445 PolarHBondContact O-N 3.13Å; V441-V512 HydrophobicContact CG2-CB 4.19Å; V441-V512 HydrophobicContact CG2-CG1 3.56Å; V441-V512 HydrophobicContact CG2-CG2 3.76Å
442	L	89.8	Confident	92.4	Very high	27 Å²	27	52 Å²	52	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-34.7	177.9	-71.6	168.3	0	0	0	112.3	Q145 Q148 V149 A152 L438 R439	Q145-L442 PolarHBondContact NE2-O 3.29Å; Q148-L442 HydrophobicContact CB-CD1 3.79Å; Q148-L442 HydrophobicContact CB-CD2 3.99Å; Q148-L442 VanDerWaalsContact OE1-CD2 3.3Å; V149-L442 HydrophobicContact CG2-CB 3.64Å; A152-L442 HydrophobicContact CB-CD1 4.03Å; L438-L442 HydrophobicContact CD1-CD1 4Å; L438-L442 HydrophobicContact CD1-CG 4.23Å; L438-L442 HydrophobicContact CG-CD1 3.95Å; L438-L442 WeakPolarHBondContact O-CB 3.39Å; L438-L442 WeakPolarHBondContact O-CG 3.25Å; L438-L442 PolarHBondContact O-N 2.88Å; R439-L442 PolarHBondContact O-N 2.98Å
443	L	87.9	Confident	92.1	Very high	21 Å²	21	56.3 Å²	56.3	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-80.8	-44	179.8	-78.9	170.5	0	0	0	113.3	P117 V149 R439 D440 V441	P117-L443 WeakPolarHBondContact CB-O 3.5Å; V149-L443 HydrophobicContact CB-CD2 4.48Å; V149-L443 HydrophobicContact CG1-CD1 4.39Å; V149-L443 HydrophobicContact CG1-CD2 3.64Å; V149-L443 HydrophobicContact CG1-CG 3.94Å; V149-L443 HydrophobicContact CG2-CD2 3.96Å; V149-L443 HydrophobicContact CG2-CG 4.03Å; R439-L443 HydrophobicContact CG-CD1 3.97Å; R439-L443 VanDerWaalsContact CZ-CD1 3.41Å; R439-L443 WeakPolarHBondContact O-CB 3.13Å; R439-L443 WeakPolarHBondContact O-CG 3.49Å; R439-L443 PolarHBondContact O-N 3.03Å; D440-L443 PolarHBondContact O-N 3.48Å; V441-L443 VanDerWaalsContact C-N 3.31Å; V441-L443 PolarHBondContact O-N 3.43Å
444	H	89.3	Confident	91.7	Very high	54 Å²	54	57.9 Å²	57.9	25%	0.25	30%	0.3	C	S	.	.	H	α-helix	trans	-122.6	-7.5	-163.5	-53.9	-52.7	0	0	0	113.5	P117 D440 W467 G468	P117-H444 WeakPolarHBondContact CB-ND1 3.14Å; D440-H444 WeakPolarHBondContact O-CB 3.28Å; D440-H444 PolarHBondContact O-N 3.27Å; H444-W467 HydrophobicContact CB-CD2 4.18Å; H444-W467 HydrophobicContact CB-CH2 4.26Å; H444-W467 HydrophobicContact CB-CZ2 3.65Å; H444-W467 AromaticContact CD2-CH2 3.67Å; H444-W467 AromaticContact CD2-CZ2 3.94Å; H444-G468 VanDerWaalsContact ND1-CA 3.31Å; H444-G468 WeakPolarHBondContact ND1-CA 3.38Å
445	G	89.9	Confident	91.2	Very high	31 Å²	31	63 Å²	63	32%	0.32	32%	0.317	S	S	.	.			trans	70.6	178.5	-171.9	0	0	0	0	0	112.8	V441 W467	V441-G445 WeakPolarHBondContact O-CA 3.25Å; V441-G445 PolarHBondContact O-N 3.13Å; G445-W467 PolarHBondContact O-NE1 2.71Å
446	K	90.4	Very high	90.1	Very high	105 Å²	105	65.1 Å²	65.1	46%	0.457	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.7	134.4	174.2	-67.7	-168.9	178.6	-171	0	110.1	V512 D514 T516	K446-V512 HydrophobicContact CG-CG1 4.34Å; K446-D514 IonicContact NZ-OD1 2.61Å; K446-D514 PolarHBondContact NZ-OD1 3.43Å; K446-T516 PolarHBondContact NZ-OG1 3.47Å
447	P	91.3	Very high	88.9	Confident	9 Å²	9	71.2 Å²	71.2	6%	0.058	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-64.5	147.5	174.2	28.4	-36.2	0	0	0	111.2	W467 L475 L526 I528	P447-W467 HydrophobicContact CB-CG 4.09Å; P447-L475 HydrophobicContact CB-CD1 3.48Å; P447-L475 VanDerWaalsContact CB-CD1 3.48Å; P447-L475 HydrophobicContact CG-CD1 3.26Å; P447-L526 HydrophobicContact CG-CD1 4.08Å; P447-I528 HydrophobicContact CB-CG1 4.36Å; P447-I528 HydrophobicContact CG-CD1 4.32Å; P447-I528 HydrophobicContact CG-CG1 4.26Å
448	K	90.3	Very high	87.7	Confident	185 Å²	185	74.4 Å²	74.4	80%	0.804	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-83.1	125.8	173.2	-65.5	-177.7	-179	179.6	0	109.3
449	L	90	Very high	87.2	Confident	75 Å²	75	71.2 Å²	71.2	39%	0.393	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-79.3	120.1	173.2	-79	75	0	0	0	109.3	Y462 L475 Y517 L526	L449-Y462 HydrophobicContact CD2-CD2 3.98Å; L449-Y462 HydrophobicContact CD2-CE2 3.99Å; L449-Y462 HydrophobicContact CD2-CG 4.3Å; L449-Y462 HydrophobicContact CG-CD2 4.43Å; L449-Y462 HydrophobicContact CG-CG 4.47Å; L449-L475 HydrophobicContact CD1-CD1 4.34Å; L449-L475 HydrophobicContact CD1-CD2 4.4Å; L449-L475 HydrophobicContact CD2-CD2 4.5Å; L449-L475 HydrophobicContact CG-CD2 4.11Å; L449-Y517 HydrophobicContact CD2-CE2 4.23Å; L449-L526 HydrophobicContact CD1-CD1 4.2Å
450	G	91.7	Very high	87	Confident	38 Å²	38	69.8 Å²	69.8	39%	0.392	37%	0.365	S	S	.	.			trans	-94.8	-153	172	0	0	0	0	0	112.5	Y462 L463	G450-Y462 WeakPolarHBondContact O-CD1 3.42Å; G450-L463 VanDerWaalsContact CA-O 3.23Å; G450-L463 WeakPolarHBondContact CA-O 3.49Å; G450-L463 PolarHBondContact N-O 2.98Å
451	K	93.4	Very high	87	Confident	163 Å²	163	71.8 Å²	71.8	71%	0.709	38%	0.378	S	S	*	.	S	Bend	trans	-61.9	141.3	178.5	-174.9	-176.2	173	-178	0	111.6	L453 Y462 L463	K451-L453 PolarHBondContact O-N 2.91Å; K451-Y462 CarbonylContact O-C 3.59Å; K451-Y462 WeakPolarHBondContact O-CA 3.28Å; K451-L463 PolarHBondContact O-N 2.93Å
452	E	94.1	Very high	87.1	Confident	76 Å²	76	71 Å²	71	36%	0.355	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	122.4	168.6	-176.6	169.6	152.2	0	0	110.2	R455 V460 Y462	E452-R455 WeakPolarHBondContact OE1-CB 3.39Å; E452-R455 IonicContact OE1-CZ 3.52Å; E452-R455 IonicContact OE1-NE 3.32Å; E452-R455 PolarHBondContact OE1-NE 2.67Å; E452-R455 IonicContact OE1-NH2 3.08Å; E452-R455 IonicContact OE2-NH2 3.51Å; E452-R455 PolarHBondContact OE2-NH2 3.22Å; E452-R455 VanDerWaalsContact OE2-NH2 3.14Å; E452-V460 HydrophobicContact CB-CG1 4.48Å; E452-V460 VanDerWaalsContact CD-CG1 3.42Å; E452-V460 HydrophobicContact CG-CG1 3.54Å; E452-Y462 HydrophobicContact CB-CD1 4.19Å; E452-Y462 HydrophobicContact CB-CE1 4.09Å
453	L	88.8	Confident	87.3	Confident	92 Å²	92	71.8 Å²	71.8	48%	0.482	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-33.2	175.5	-63.3	178.9	0	0	0	111.3	K451 V461 L463	K451-L453 PolarHBondContact O-N 2.91Å; L453-V461 HydrophobicContact CB-CG1 4.42Å; L453-V461 HydrophobicContact CD1-CG1 4.4Å; L453-V461 PolarHBondContact N-O 2.88Å; L453-L463 HydrophobicContact CD1-CB 4.39Å; L453-L463 HydrophobicContact CD1-CD1 4.48Å; L453-L463 HydrophobicContact CD2-CB 4.22Å; L453-L463 HydrophobicContact CD2-CD1 4.39Å; L453-L463 HydrophobicContact CG-CB 4.27Å
454	G	84.6	Confident	87.5	Confident	33 Å²	33	70.9 Å²	70.9	34%	0.34	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	161.2	177	0	0	0	0	0	112.8	V461	G454-V461 PolarHBondContact N-O 3.49Å; G454-V461 PolarHBondContact O-N 3.41Å
455	R	85.3	Confident	87.4	Confident	179 Å²	179	72.8 Å²	72.8	68%	0.675	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.6	177.7	-174.9	174.2	-59.9	-151.8	-1.1	109.9	E452 V460	E452-R455 WeakPolarHBondContact OE1-CB 3.39Å; E452-R455 IonicContact OE1-CZ 3.52Å; E452-R455 IonicContact OE1-NE 3.32Å; E452-R455 PolarHBondContact OE1-NE 2.67Å; E452-R455 IonicContact OE1-NH2 3.08Å; E452-R455 IonicContact OE2-NH2 3.51Å; E452-R455 PolarHBondContact OE2-NH2 3.22Å; E452-R455 VanDerWaalsContact OE2-NH2 3.14Å; R455-V460 HydrophobicContact CG-CG2 4.1Å
456	G	72.4	Confident	87.3	Confident	50 Å²	50	76.1 Å²	76.1	52%	0.515	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-177.8	177.2	0	0	0	0	0	111.9	Y458 G459	G456-Y458 PolarHBondContact O-N 3.38Å; G456-G459 PolarHBondContact N-O 2.81Å
457	Q	69.3	Low	87.4	Confident	166 Å²	166	71.5 Å²	71.5	78%	0.776	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.8	175.3	-179	177.3	-15.5	0	0	112.3
458	Y	70	Confident	87.2	Confident	76 Å²	76	72 Å²	72	30%	0.298	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.5	-173	-49.6	-67.2	0	0	0	113.8	G456 V478 F593	G456-Y458 PolarHBondContact O-N 3.38Å; Y458-V478 WeakPolarHBondContact O-CG1 3.36Å; Y458-V478 WeakPolarHBondContact O-CG2 3.44Å; Y458-F593 HydrophobicContact CE1-CZ 4.04Å; Y458-F593 AromaticContact CE2-CE2 3.95Å; Y458-F593 HydrophobicContact CE2-CE2 3.95Å; Y458-F593 HydrophobicContact CE2-CZ 4.22Å; Y458-F593 AromaticContact CZ-CE2 3.66Å; Y458-F593 AromaticContact CZ-CZ 3.47Å; Y458-F593 VanDerWaalsContact CZ-CZ 3.47Å; Y458-F593 VanDerWaalsContact OH-CE2 3.23Å; Y458-F593 WeakPolarHBondContact OH-CE2 3.37Å; Y458-F593 WeakPolarHBondContact OH-CZ 3Å
459	G	83.8	Confident	87.1	Confident	20 Å²	20	66.3 Å²	66.3	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.2	-168.9	-177.7	0	0	0	0	0	115	G456 S477	G456-G459 PolarHBondContact N-O 2.81Å; G459-S477 CarbonylContact C-O 3.58Å; G459-S477 WeakPolarHBondContact CA-O 3.38Å
460	V	90.2	Very high	87.1	Confident	17 Å²	17	65.9 Å²	65.9	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.1	-177.4	-169.9	0	0	0	0	109.4	E452 R455 Y462 S477	E452-V460 HydrophobicContact CB-CG1 4.48Å; E452-V460 VanDerWaalsContact CD-CG1 3.42Å; E452-V460 HydrophobicContact CG-CG1 3.54Å; R455-V460 HydrophobicContact CG-CG2 4.1Å; V460-Y462 HydrophobicContact CB-CD2 4.44Å; V460-Y462 HydrophobicContact CB-CE2 3.62Å; V460-Y462 HydrophobicContact CG1-CD2 4.27Å; V460-Y462 HydrophobicContact CG1-CE1 3.9Å; V460-Y462 HydrophobicContact CG1-CE2 3.61Å; V460-Y462 WeakPolarHBondContact CG1-OH 3.2Å; V460-S477 PolarHBondContact N-O 2.8Å; V460-S477 PolarHBondContact O-N 3.44Å
461	V	92.3	Very high	86.9	Confident	42 Å²	42	71.9 Å²	71.9	26%	0.255	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.9	176.6	-174.2	0	0	0	0	109.2	L453 G454 A474 L475 K476	L453-V461 HydrophobicContact CB-CG1 4.42Å; L453-V461 HydrophobicContact CD1-CG1 4.4Å; L453-V461 PolarHBondContact N-O 2.88Å; G454-V461 PolarHBondContact N-O 3.49Å; G454-V461 PolarHBondContact O-N 3.41Å; V461-A474 HydrophobicContact CG1-CB 4.24Å; V461-L475 CarbonylContact C-O 3.55Å; V461-L475 WeakPolarHBondContact CA-O 3.28Å; V461-K476 HydrophobicContact CG2-CB 4.23Å; V461-K476 HydrophobicContact CG2-CG 4.22Å
462	Y	93.9	Very high	86.9	Confident	33 Å²	33	66.3 Å²	66.3	13%	0.129	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	152.1	179.5	-60.4	-85.3	0	0	0	111.2	L449 G450 K451 E452 V460 L475 Y517	L449-Y462 HydrophobicContact CD2-CD2 3.98Å; L449-Y462 HydrophobicContact CD2-CE2 3.99Å; L449-Y462 HydrophobicContact CD2-CG 4.3Å; L449-Y462 HydrophobicContact CG-CD2 4.43Å; L449-Y462 HydrophobicContact CG-CG 4.47Å; G450-Y462 WeakPolarHBondContact O-CD1 3.42Å; K451-Y462 CarbonylContact O-C 3.59Å; K451-Y462 WeakPolarHBondContact O-CA 3.28Å; E452-Y462 HydrophobicContact CB-CD1 4.19Å; E452-Y462 HydrophobicContact CB-CE1 4.09Å; V460-Y462 HydrophobicContact CB-CD2 4.44Å; V460-Y462 HydrophobicContact CB-CE2 3.62Å; V460-Y462 HydrophobicContact CG1-CD2 4.27Å; V460-Y462 HydrophobicContact CG1-CE1 3.9Å; V460-Y462 HydrophobicContact CG1-CE2 3.61Å; V460-Y462 WeakPolarHBondContact CG1-OH 3.2Å; Y462-L475 HydrophobicContact CD2-CD2 4.05Å; Y462-L475 PolarHBondContact N-O 3.22Å; Y462-L475 PolarHBondContact O-N 3.06Å; Y462-Y517 PolarHBondContact OH-OH 2.9Å
463	L	94.3	Very high	86.9	Confident	42 Å²	42	62.7 Å²	62.7	22%	0.22	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.3	166.4	-174.8	75.2	0	0	0	109.2	G450 K451 L453 R531	G450-L463 VanDerWaalsContact CA-O 3.23Å; G450-L463 WeakPolarHBondContact CA-O 3.49Å; G450-L463 PolarHBondContact N-O 2.98Å; K451-L463 PolarHBondContact O-N 2.93Å; L453-L463 HydrophobicContact CD1-CB 4.39Å; L453-L463 HydrophobicContact CD1-CD1 4.48Å; L453-L463 HydrophobicContact CD2-CB 4.22Å; L453-L463 HydrophobicContact CD2-CD1 4.39Å; L453-L463 HydrophobicContact CG-CB 4.27Å; L463-R531 VanDerWaalsContact CD1-NE 3.29Å
464	C	93.3	Very high	87.2	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	110.9	169.2	-171.1	0	0	0	0	108.1	C473 L475	C464-C473 CarbonylContact C-O 3.54Å; C464-C473 HydrophobicContact CB-CB 3.93Å; C464-C473 PolarHBondContact N-O 3.33Å; C464-C473 VanDerWaalsContact N-O 3.17Å; C464-C473 CarbonylContact O-C 3.6Å; C464-C473 VanDerWaalsContact O-CA 3.22Å; C464-C473 WeakPolarHBondContact O-CA 3.2Å; C464-C473 VanDerWaalsContact O-CB 3.24Å; C464-C473 WeakPolarHBondContact O-CB 3.45Å; C464-C473 PolarHBondContact O-N 3.02Å; C464-L475 HydrophobicContact CB-CB 4.17Å
465	D	85.7	Confident	87.6	Confident	95 Å²	95	57.1 Å²	57.1	51%	0.508	31%	0.308	S	S	.	.	S	Bend	trans	-65	-59.2	-173.1	-70.1	-42.4	0	0	0	111.2	Y471	D465-Y471 HydrophobicContact CB-CE2 4.36Å; D465-Y471 WeakPolarHBondContact O-CD2 3.26Å
466	N	89.2	Confident	88	Confident	100 Å²	100	49.5 Å²	49.5	54%	0.535	28%	0.279	S	S	.	.			trans	-136.8	134.8	-179.9	-177.8	-1.5	0	0	0	111.2	G469 H470	N466-G469 PolarHBondContact OD1-N 3.08Å; N466-H470 VanDerWaalsContact CA-O 3.26Å; N466-H470 WeakPolarHBondContact CA-O 3.42Å; N466-H470 PolarHBondContact OD1-O 3.15Å; N466-H470 VanDerWaalsContact OD1-O 3.06Å
467	W	92.5	Very high	88.9	Confident	8 Å²	8	47.2 Å²	47.2	3%	0.03	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-146.1	129.4	168.5	-174.6	79.9	0	0	0	111	D440 H444 G445 P447 G469 H470 V512 I528	D440-W467 HydrophobicContact CB-CH2 3.78Å; D440-W467 HydrophobicContact CB-CZ2 4.04Å; H444-W467 HydrophobicContact CB-CD2 4.18Å; H444-W467 HydrophobicContact CB-CH2 4.26Å; H444-W467 HydrophobicContact CB-CZ2 3.65Å; H444-W467 AromaticContact CD2-CH2 3.67Å; H444-W467 AromaticContact CD2-CZ2 3.94Å; G445-W467 PolarHBondContact O-NE1 2.71Å; P447-W467 HydrophobicContact CB-CG 4.09Å; W467-G469 PolarHBondContact O-N 3.37Å; W467-G469 VanDerWaalsContact O-N 3.16Å; W467-H470 PolarHBondContact N-O 3.39Å; W467-H470 VanDerWaalsContact N-O 3.14Å; W467-H470 WeakPolarHBondContact O-CB 3.22Å; W467-H470 PolarHBondContact O-N 3.01Å; W467-V512 HydrophobicContact CZ2-CG2 3.98Å; W467-I528 HydrophobicContact CB-CG2 4.3Å; W467-I528 HydrophobicContact CD2-CD1 4.47Å; W467-I528 HydrophobicContact CD2-CG1 4.05Å; W467-I528 HydrophobicContact CD2-CG2 4.19Å; W467-I528 HydrophobicContact CE3-CB 4.03Å; W467-I528 HydrophobicContact CE3-CD1 4.46Å; W467-I528 HydrophobicContact CE3-CG1 4.05Å; W467-I528 HydrophobicContact CE3-CG2 3.72Å; W467-I528 HydrophobicContact CG-CG2 4.49Å; W467-I528 HydrophobicContact CH2-CD1 4.16Å; W467-I528 HydrophobicContact CZ2-CD1 4.18Å; W467-I528 HydrophobicContact CZ3-CB 4.27Å; W467-I528 HydrophobicContact CZ3-CD1 4.32Å; W467-I528 HydrophobicContact CZ3-CG1 4.34Å; W467-I528 HydrophobicContact CZ3-CG2 4.39Å
468	G	86.3	Confident	90	Very high	21 Å²	21	40 Å²	40	22%	0.216	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	23	178.7	0	0	0	0	0	115.4	H444 H470	H444-G468 VanDerWaalsContact ND1-CA 3.31Å; H444-G468 WeakPolarHBondContact ND1-CA 3.38Å; G468-H470 VanDerWaalsContact C-N 3.31Å
469	G	87.8	Confident	91	Very high	64 Å²	64	40.1 Å²	40.1	66%	0.66	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-0.2	-175.3	0	0	0	0	0	113.9	N466 W467	N466-G469 PolarHBondContact OD1-N 3.08Å; W467-G469 PolarHBondContact O-N 3.37Å; W467-G469 VanDerWaalsContact O-N 3.16Å
470	H	89.7	Confident	91.2	Very high	67 Å²	67	40 Å²	40	31%	0.31	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-88.2	133.3	173.6	-61.9	-77.5	0	0	0	110.7	N466 W467 G468 C473 H509	N466-H470 VanDerWaalsContact CA-O 3.26Å; N466-H470 WeakPolarHBondContact CA-O 3.42Å; N466-H470 PolarHBondContact OD1-O 3.15Å; N466-H470 VanDerWaalsContact OD1-O 3.06Å; W467-H470 PolarHBondContact N-O 3.39Å; W467-H470 VanDerWaalsContact N-O 3.14Å; W467-H470 WeakPolarHBondContact O-CB 3.22Å; W467-H470 PolarHBondContact O-N 3.01Å; G468-H470 VanDerWaalsContact C-N 3.31Å; H470-C473 VanDerWaalsContact C-SG 3.59Å; H470-C473 WeakPolarHBondContact CB-SG 3.18Å; H470-C473 PolarHBondContact O-SG 2.96Å; H470-H509 AromaticContact CD2-CG 3.89Å; H470-H509 AromaticContact CE1-ND1 3.77Å; H470-H509 AromaticContact CG-CD2 3.66Å; H470-H509 AromaticContact CG-CG 3.68Å; H470-H509 AromaticContact CG-ND1 3.93Å; H470-H509 AromaticContact CG-NE2 3.9Å; H470-H509 AromaticContact ND1-CD2 3.99Å; H470-H509 AromaticContact ND1-CE1 3.61Å; H470-H509 AromaticContact ND1-CG 3.84Å; H470-H509 AromaticContact ND1-ND1 3.59Å; H470-H509 AromaticContact ND1-NE2 3.84Å
471	Y	89.4	Confident	91.1	Very high	164 Å²	164	44.1 Å²	44.1	64%	0.643	25%	0.251	S	S	*	.			trans	-151.7	136.4	173.2	175	-81.2	0	0	0	108.3	D465	D465-Y471 HydrophobicContact CB-CE2 4.36Å; D465-Y471 WeakPolarHBondContact O-CD2 3.26Å
472	P	92	Very high	90.9	Very high	45 Å²	45	45.7 Å²	45.7	29%	0.292	26%	0.257	S	S	.	.	S	Bend	cis	-83.1	148.5	-7.3	32.8	-34.1	0	0	0	112.9	R531	P472-R531 HydrophobicContact CB-CB 4.23Å; P472-R531 HydrophobicContact CG-CB 4.41Å; P472-R531 PolarHBondContact O-N 2.93Å
473	C	94.3	Very high	90.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	158.2	178.1	-61.3	0	0	0	0	114.2	C464 H470 I528 M529 R531	C464-C473 CarbonylContact C-O 3.54Å; C464-C473 HydrophobicContact CB-CB 3.93Å; C464-C473 PolarHBondContact N-O 3.33Å; C464-C473 VanDerWaalsContact N-O 3.17Å; C464-C473 CarbonylContact O-C 3.6Å; C464-C473 VanDerWaalsContact O-CA 3.22Å; C464-C473 WeakPolarHBondContact O-CA 3.2Å; C464-C473 VanDerWaalsContact O-CB 3.24Å; C464-C473 WeakPolarHBondContact O-CB 3.45Å; C464-C473 PolarHBondContact O-N 3.02Å; H470-C473 VanDerWaalsContact C-SG 3.59Å; H470-C473 WeakPolarHBondContact CB-SG 3.18Å; H470-C473 PolarHBondContact O-SG 2.96Å; C473-I528 HydrophobicContact CB-CG2 4.19Å; C473-M529 CarbonylContact C-O 3.57Å; C473-M529 WeakPolarHBondContact CA-O 3.29Å; C473-R531 VanDerWaalsContact C-CB 3.42Å; C473-R531 WeakPolarHBondContact O-CB 3.49Å; C473-R531 VanDerWaalsContact O-CD 3.28Å; C473-R531 WeakPolarHBondContact O-CD 3.44Å; C473-R531 PolarHBondContact O-NE 3.31Å
474	A	94.6	Very high	90.2	Very high	9 Å²	9	54 Å²	54	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146	168.7	0	0	0	0	0	108.4	V461 M529 R531	V461-A474 HydrophobicContact CG1-CB 4.24Å; A474-M529 PolarHBondContact N-O 2.93Å; A474-M529 PolarHBondContact O-N 3.17Å; A474-R531 HydrophobicContact CB-CB 3.91Å; A474-R531 HydrophobicContact CB-CG 4.17Å
475	L	93.8	Very high	89.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.7	-177.6	-175.6	147.7	0	0	0	109.8	P447 L449 V461 Y462 C464 L526 L527	P447-L475 HydrophobicContact CB-CD1 3.48Å; P447-L475 VanDerWaalsContact CB-CD1 3.48Å; P447-L475 HydrophobicContact CG-CD1 3.26Å; L449-L475 HydrophobicContact CD1-CD1 4.34Å; L449-L475 HydrophobicContact CD1-CD2 4.4Å; L449-L475 HydrophobicContact CD2-CD2 4.5Å; L449-L475 HydrophobicContact CG-CD2 4.11Å; V461-L475 CarbonylContact C-O 3.55Å; V461-L475 WeakPolarHBondContact CA-O 3.28Å; Y462-L475 HydrophobicContact CD2-CD2 4.05Å; Y462-L475 PolarHBondContact N-O 3.22Å; Y462-L475 PolarHBondContact O-N 3.06Å; C464-L475 HydrophobicContact CB-CB 4.17Å; L475-L526 HydrophobicContact CD1-CB 4.16Å; L475-L526 HydrophobicContact CD1-CD1 4.27Å; L475-L526 HydrophobicContact CD2-CB 4.11Å; L475-L526 HydrophobicContact CD2-CD1 4.46Å; L475-L526 HydrophobicContact CD2-CD2 4.03Å; L475-L526 HydrophobicContact CD2-CG 4.41Å; L475-L526 HydrophobicContact CG-CB 4.16Å; L475-L527 CarbonylContact C-O 3.56Å; L475-L527 WeakPolarHBondContact CA-O 3.33Å
476	K	92.6	Very high	89.9	Confident	18 Å²	18	54.4 Å²	54.4	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.2	174.2	-178.9	-177.9	175.3	-167.5	0	108.4	V461 V478 L526 L527 M529 D590	V461-K476 HydrophobicContact CG2-CB 4.23Å; V461-K476 HydrophobicContact CG2-CG 4.22Å; K476-V478 HydrophobicContact CD-CG2 4.32Å; K476-V478 HydrophobicContact CG-CG2 4.02Å; K476-L526 WeakPolarHBondContact O-CA 3.29Å; K476-L527 HydrophobicContact CB-CB 4.32Å; K476-L527 HydrophobicContact CD-CD1 4.48Å; K476-L527 PolarHBondContact N-O 3.39Å; K476-L527 PolarHBondContact O-N 3.02Å; K476-M529 HydrophobicContact CB-CE 3.62Å; K476-M529 HydrophobicContact CD-CE 4.43Å; K476-D590 IonicContact NZ-OD1 3.36Å; K476-D590 PolarHBondContact NZ-OD1 3.29Å
477	S	92.6	Very high	89.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.6	172.9	179.7	0	0	0	0	109.3	G459 V460 Y517	G459-S477 CarbonylContact C-O 3.58Å; G459-S477 WeakPolarHBondContact CA-O 3.38Å; V460-S477 PolarHBondContact N-O 2.8Å; V460-S477 PolarHBondContact O-N 3.44Å; S477-Y517 WeakPolarHBondContact OG-CE2 3.46Å; S477-Y517 PolarHBondContact OG-OH 3.24Å
478	V	91.6	Very high	89.5	Confident	15 Å²	15	53 Å²	53	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129	177.6	-177.3	0	0	0	0	108.3	Y458 K476 P480 L489 A524 V525	Y458-V478 WeakPolarHBondContact O-CG1 3.36Å; Y458-V478 WeakPolarHBondContact O-CG2 3.44Å; K476-V478 HydrophobicContact CD-CG2 4.32Å; K476-V478 HydrophobicContact CG-CG2 4.02Å; V478-P480 WeakPolarHBondContact O-CD 3.36Å; V478-L489 HydrophobicContact CB-CD1 4.49Å; V478-L489 HydrophobicContact CB-CD2 3.92Å; V478-L489 HydrophobicContact CG1-CD1 4.23Å; V478-L489 HydrophobicContact CG1-CD2 3.63Å; V478-L489 HydrophobicContact CG2-CD1 4.35Å; V478-A524 CarbonylContact O-C 3.55Å; V478-A524 WeakPolarHBondContact O-CA 3.18Å; V478-V525 PolarHBondContact N-O 3.14Å; V478-V525 PolarHBondContact O-N 3.35Å
479	I	90.9	Very high	89.6	Confident	79 Å²	79	52.5 Å²	52.5	41%	0.405	28%	0.281	S	S	.	.			trans	-110	102.1	175	-56.2	173.7	0	0	0	107.2	P481 Y517 A524	I479-P481 WeakPolarHBondContact O-CD 3.18Å; I479-Y517 HydrophobicContact CD1-CD1 4.05Å; I479-Y517 HydrophobicContact CD1-CE1 3.69Å; I479-Y517 HydrophobicContact CG1-CE1 4.33Å; I479-A524 HydrophobicContact CG1-CB 4.19Å
480	P	88.9	Confident	89.7	Confident	18 Å²	18	49.5 Å²	49.5	12%	0.117	25%	0.249	C	C	.	.			trans	-70	124.2	178.3	-16.4	31.5	0	0	0	109.9	V478 H485 W486 L489 V525	V478-P480 WeakPolarHBondContact O-CD 3.36Å; P480-H485 HydrophobicContact CB-CB 4.31Å; P480-W486 HydrophobicContact CB-CB 3.97Å; P480-W486 HydrophobicContact CB-CG 3.84Å; P480-W486 HydrophobicContact CG-CB 4.44Å; P480-W486 HydrophobicContact CG-CD2 4.32Å; P480-W486 HydrophobicContact CG-CG 3.89Å; P480-L489 HydrophobicContact CG-CD2 3.92Å; P480-V525 HydrophobicContact CG-CG2 4.39Å
481	P	86.8	Confident	89.5	Confident	103 Å²	103	46.5 Å²	46.5	67%	0.669	24%	0.236	S	C	*	.	S	Bend	trans	-75.8	-22.6	-176.3	29.5	-37.1	0	0	0	113.8	I479 H485	I479-P481 WeakPolarHBondContact O-CD 3.18Å; P481-H485 HydrophobicContact CG-CB 4.13Å
482	D	88.8	Confident	89.3	Confident	75 Å²	75	40 Å²	40	40%	0.401	21%	0.211	S	C	.	.	S	Bend	trans	-150.7	173.6	179.3	62.5	42.2	0	0	0	111	K484 H485 W486	D482-K484 VanDerWaalsContact C-N 3.26Å; D482-K484 PolarHBondContact O-N 2.79Å; D482-K484 WeakPolarHBondContact OD1-CA 3.37Å; D482-K484 WeakPolarHBondContact OD1-CB 3.33Å; D482-K484 PolarHBondContact OD1-N 2.8Å; D482-H485 PolarHBondContact O-N 3.22Å; D482-H485 IonicContact OD1-CE1 3.97Å; D482-H485 IonicContact OD1-CG 3.72Å; D482-H485 PolarHBondContact OD1-N 3.03Å; D482-H485 IonicContact OD1-ND1 3.14Å; D482-H485 PolarHBondContact OD1-ND1 3.32Å; D482-H485 IonicContact OD2-CE1 3.53Å; D482-H485 PolarHBondContact OD2-CE1 3.29Å; D482-H485 VanDerWaalsContact OD2-CE1 3.31Å; D482-H485 IonicContact OD2-ND1 2.77Å; D482-H485 PolarHBondContact OD2-ND1 3.17Å; D482-W486 PolarHBondContact O-N 2.68Å
483	D	88.1	Confident	89.1	Confident	104 Å²	104	38.1 Å²	38.1	56%	0.556	20%	0.198	S	C	*	.	H	α-helix	trans	-61.6	-31.4	-179.6	-79.6	-31.3	0	0	0	113.4	R430 W486 N487	R430-D483 IonicContact CZ-OD1 3.31Å; R430-D483 IonicContact NH1-OD1 3.6Å; R430-D483 PolarHBondContact NH1-OD1 2.61Å; D483-W486 WeakPolarHBondContact O-CB 3.42Å; D483-W486 PolarHBondContact O-N 3.13Å; D483-N487 WeakPolarHBondContact O-CB 3.4Å; D483-N487 PolarHBondContact O-N 3.07Å; D483-N487 PolarHBondContact O-ND2 3.35Å; D483-N487 VanDerWaalsContact O-ND2 3.11Å
484	K	84.6	Confident	88.8	Confident	144 Å²	144	38.5 Å²	38.5	63%	0.626	20%	0.2	S	C	*	.	H	α-helix	trans	-67.1	-49.9	179.7	-179.5	-170.3	171.9	-165.6	0	110.1	D482 W486 N487 D488	D482-K484 VanDerWaalsContact C-N 3.26Å; D482-K484 PolarHBondContact O-N 2.79Å; D482-K484 WeakPolarHBondContact OD1-CA 3.37Å; D482-K484 WeakPolarHBondContact OD1-CB 3.33Å; D482-K484 PolarHBondContact OD1-N 2.8Å; K484-W486 PolarHBondContact O-N 3.49Å; K484-N487 PolarHBondContact O-N 3.25Å; K484-D488 PolarHBondContact O-N 3.41Å
485	H	85.4	Confident	88.3	Confident	90 Å²	90	38.7 Å²	38.7	42%	0.417	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-33.4	176.5	-67	91	0	0	0	111.7	P480 P481 D482 L489	P480-H485 HydrophobicContact CB-CB 4.31Å; P481-H485 HydrophobicContact CG-CB 4.13Å; D482-H485 PolarHBondContact O-N 3.22Å; D482-H485 IonicContact OD1-CE1 3.97Å; D482-H485 IonicContact OD1-CG 3.72Å; D482-H485 PolarHBondContact OD1-N 3.03Å; D482-H485 IonicContact OD1-ND1 3.14Å; D482-H485 PolarHBondContact OD1-ND1 3.32Å; D482-H485 IonicContact OD2-CE1 3.53Å; D482-H485 PolarHBondContact OD2-CE1 3.29Å; D482-H485 VanDerWaalsContact OD2-CE1 3.31Å; D482-H485 IonicContact OD2-ND1 2.77Å; D482-H485 PolarHBondContact OD2-ND1 3.17Å; H485-L489 VanDerWaalsContact O-CB 3.31Å; H485-L489 WeakPolarHBondContact O-CB 3.41Å; H485-L489 PolarHBondContact O-N 3.47Å
486	W	89.1	Confident	87.9	Confident	17 Å²	17	39.9 Å²	39.9	6%	0.064	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-49.4	173.6	-134.8	112.4	0	0	0	111.1	R430 L433 E434 P480 D482 D483 K484 L489 A490 I513 V525	R430-W486 HydrophobicContact CB-CE3 4.2Å; R430-W486 HydrophobicContact CB-CZ3 4.27Å; R430-W486 HydrophobicContact CG-CE3 3.68Å; R430-W486 HydrophobicContact CG-CZ3 3.65Å; L433-W486 HydrophobicContact CB-CZ3 4.48Å; L433-W486 HydrophobicContact CD2-CH2 3.87Å; L433-W486 HydrophobicContact CD2-CZ3 3.61Å; L433-W486 HydrophobicContact CG-CH2 4.36Å; L433-W486 HydrophobicContact CG-CZ3 4.26Å; E434-W486 HydrophobicContact CG-CH2 4.35Å; P480-W486 HydrophobicContact CB-CB 3.97Å; P480-W486 HydrophobicContact CB-CG 3.84Å; P480-W486 HydrophobicContact CG-CB 4.44Å; P480-W486 HydrophobicContact CG-CD2 4.32Å; P480-W486 HydrophobicContact CG-CG 3.89Å; D482-W486 PolarHBondContact O-N 2.68Å; D483-W486 WeakPolarHBondContact O-CB 3.42Å; D483-W486 PolarHBondContact O-N 3.13Å; K484-W486 PolarHBondContact O-N 3.49Å; W486-L489 PolarHBondContact O-N 2.78Å; W486-A490 HydrophobicContact CE3-CB 4.47Å; W486-A490 HydrophobicContact CZ3-CB 4.44Å; W486-A490 WeakPolarHBondContact O-CB 3.48Å; W486-A490 PolarHBondContact O-N 2.75Å; W486-I513 HydrophobicContact CH2-CD1 3.62Å; W486-I513 HydrophobicContact CH2-CG1 4.07Å; W486-I513 HydrophobicContact CZ2-CD1 4.19Å; W486-I513 HydrophobicContact CZ2-CG1 4.37Å; W486-I513 HydrophobicContact CZ2-CG2 4.42Å; W486-V525 HydrophobicContact CH2-CG2 3.96Å; W486-V525 HydrophobicContact CZ2-CG2 3.7Å
487	N	89.3	Confident	87.6	Confident	26 Å²	26	42 Å²	42	14%	0.139	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-39	-179.5	-67	-26.4	0	0	0	112.4	P426 D483 K484 A490 L491	P426-N487 HydrophobicContact CB-CB 3.55Å; D483-N487 WeakPolarHBondContact O-CB 3.4Å; D483-N487 PolarHBondContact O-N 3.07Å; D483-N487 PolarHBondContact O-ND2 3.35Å; D483-N487 VanDerWaalsContact O-ND2 3.11Å; K484-N487 PolarHBondContact O-N 3.25Å; N487-A490 PolarHBondContact O-N 2.82Å; N487-L491 PolarHBondContact O-N 2.91Å
488	D	83.4	Confident	87.2	Confident	53 Å²	53	45.5 Å²	45.5	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-61.8	-44.7	174.7	-87.5	-44.8	0	0	0	111.2	K484 A490 L491 E492 K595	K484-D488 PolarHBondContact O-N 3.41Å; D488-A490 VanDerWaalsContact C-N 3.33Å; D488-A490 PolarHBondContact O-N 3.03Å; D488-L491 PolarHBondContact O-N 2.64Å; D488-E492 PolarHBondContact O-N 3.15Å; D488-K595 IonicContact OD1-NZ 2.95Å; D488-K595 PolarHBondContact OD1-NZ 3.27Å
489	L	87.9	Confident	87	Confident	10 Å²	10	46 Å²	46	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-40	175.2	176.7	64.6	0	0	0	112.1	V478 P480 H485 W486 L491 E492 F493 V525 L527	V478-L489 HydrophobicContact CB-CD1 4.49Å; V478-L489 HydrophobicContact CB-CD2 3.92Å; V478-L489 HydrophobicContact CG1-CD1 4.23Å; V478-L489 HydrophobicContact CG1-CD2 3.63Å; V478-L489 HydrophobicContact CG2-CD1 4.35Å; P480-L489 HydrophobicContact CG-CD2 3.92Å; H485-L489 VanDerWaalsContact O-CB 3.31Å; H485-L489 WeakPolarHBondContact O-CB 3.41Å; H485-L489 PolarHBondContact O-N 3.47Å; W486-L489 PolarHBondContact O-N 2.78Å; L489-L491 VanDerWaalsContact C-N 3.33Å; L489-E492 WeakPolarHBondContact O-CB 3.32Å; L489-E492 PolarHBondContact O-N 2.76Å; L489-F493 WeakPolarHBondContact O-CB 3.29Å; L489-F493 PolarHBondContact O-N 3.49Å; L489-V525 HydrophobicContact CD2-CB 3.72Å; L489-V525 HydrophobicContact CD2-CG1 4.05Å; L489-V525 HydrophobicContact CD2-CG2 3.74Å; L489-L527 HydrophobicContact CD1-CD1 4.33Å
490	A	90.8	Very high	87	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-35.4	178.3	0	0	0	0	0	112.3	A429 R430 L433 W486 N487 D488 F493 H494	A429-A490 VanDerWaalsContact C-CB 3.48Å; A429-A490 HydrophobicContact CB-CB 4.01Å; R430-A490 HydrophobicContact CB-CB 4.26Å; L433-A490 HydrophobicContact CB-CB 4.1Å; L433-A490 HydrophobicContact CD2-CB 4.01Å; W486-A490 HydrophobicContact CE3-CB 4.47Å; W486-A490 HydrophobicContact CZ3-CB 4.44Å; W486-A490 WeakPolarHBondContact O-CB 3.48Å; W486-A490 PolarHBondContact O-N 2.75Å; N487-A490 PolarHBondContact O-N 2.82Å; D488-A490 VanDerWaalsContact C-N 3.33Å; D488-A490 PolarHBondContact O-N 3.03Å; A490-F493 PolarHBondContact O-N 3.02Å; A490-H494 PolarHBondContact O-N 3.1Å
491	L	85.7	Confident	87.1	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-44.7	174	-146.6	84.8	0	0	0	111.1	A425 P426 A429 N487 D488 L489 F493 H494 Y495 M599	A425-L491 HydrophobicContact CB-CD1 4.36Å; P426-L491 HydrophobicContact CB-CD1 4.46Å; P426-L491 HydrophobicContact CG-CD1 4.38Å; A429-L491 HydrophobicContact CB-CB 4.43Å; A429-L491 HydrophobicContact CB-CD1 3.77Å; N487-L491 PolarHBondContact O-N 2.91Å; D488-L491 PolarHBondContact O-N 2.64Å; L489-L491 VanDerWaalsContact C-N 3.33Å; L491-F493 VanDerWaalsContact C-N 3.3Å; L491-F493 PolarHBondContact O-N 3.21Å; L491-H494 PolarHBondContact O-N 3.33Å; L491-Y495 HydrophobicContact CD2-CE2 3.72Å; L491-Y495 HydrophobicContact CG-CD2 4.42Å; L491-Y495 HydrophobicContact CG-CE2 3.71Å; L491-Y495 WeakPolarHBondContact O-CD2 3.48Å; L491-Y495 PolarHBondContact O-N 2.99Å; L491-Y495 VanDerWaalsContact O-N 3.08Å; L491-M599 HydrophobicContact CD2-CE 4.22Å
492	E	83.6	Confident	87.5	Confident	26 Å²	26	48.8 Å²	48.8	12%	0.121	24%	0.242	C	C	.	.	H	α-helix	trans	-53.1	-49.4	171.6	160.5	-172.9	-180	0	0	110.9	D488 L489 H494 Y495 T496 G592	D488-E492 PolarHBondContact O-N 3.15Å; L489-E492 WeakPolarHBondContact O-CB 3.32Å; L489-E492 PolarHBondContact O-N 2.76Å; E492-H494 VanDerWaalsContact C-N 3.32Å; E492-H494 PolarHBondContact O-N 2.96Å; E492-Y495 PolarHBondContact O-N 2.91Å; E492-T496 WeakPolarHBondContact O-CB 3.34Å; E492-T496 PolarHBondContact O-N 3.45Å; E492-T496 PolarHBondContact O-OG1 3.02Å; E492-G592 WeakPolarHBondContact OE1-CA 3.34Å; E492-G592 PolarHBondContact OE1-N 3.33Å; E492-G592 WeakPolarHBondContact OE2-CA 3.37Å
493	F	88.4	Confident	87.8	Confident	7 Å²	7	51.1 Å²	51.1	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-43.4	-179.3	173.1	-94.7	0	0	0	111.7	L433 R436 L489 A490 L491 R497 L508 S511 L527	L433-F493 HydrophobicContact CB-CD1 4.38Å; L433-F493 HydrophobicContact CD1-CB 4.38Å; L433-F493 HydrophobicContact CD1-CD1 3.56Å; L433-F493 HydrophobicContact CD1-CD2 3.96Å; L433-F493 HydrophobicContact CD1-CE1 3.65Å; L433-F493 HydrophobicContact CD1-CE2 4.06Å; L433-F493 HydrophobicContact CD1-CG 3.69Å; L433-F493 HydrophobicContact CD1-CZ 3.86Å; L433-F493 HydrophobicContact CG-CD1 4.5Å; R436-F493 HydrophobicContact CB-CE1 4.28Å; R436-F493 HydrophobicContact CB-CZ 4.49Å; R436-F493 HydrophobicContact CG-CE1 3.97Å; R436-F493 HydrophobicContact CG-CZ 3.77Å; L489-F493 WeakPolarHBondContact O-CB 3.29Å; L489-F493 PolarHBondContact O-N 3.49Å; A490-F493 PolarHBondContact O-N 3.02Å; L491-F493 VanDerWaalsContact C-N 3.3Å; L491-F493 PolarHBondContact O-N 3.21Å; F493-R497 WeakPolarHBondContact O-CB 3.37Å; F493-R497 PolarHBondContact O-N 3.49Å; F493-L508 HydrophobicContact CD2-CD2 3.65Å; F493-L508 HydrophobicContact CE2-CD2 3.71Å; F493-L508 HydrophobicContact CE2-CG 4.44Å; F493-S511 WeakPolarHBondContact CE2-OG 3.39Å; F493-S511 WeakPolarHBondContact CZ-OG 3.43Å; F493-L527 HydrophobicContact CD2-CD2 3.74Å; F493-L527 HydrophobicContact CE2-CD2 4.27Å
494	H	88.8	Confident	88.3	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.032	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-53.8	177.3	-174.8	71.6	0	0	0	111.1	L163 D164 A490 L491 E492 T496 R497 T498	L163-H494 HydrophobicContact CD2-CB 3.92Å; L163-H494 WeakPolarHBondContact CD2-ND1 3.36Å; D164-H494 IonicContact OD1-CE1 3.31Å; D164-H494 PolarHBondContact OD1-CE1 3Å; D164-H494 VanDerWaalsContact OD1-CE1 3.28Å; D164-H494 IonicContact OD1-NE2 3.58Å; D164-H494 PolarHBondContact OD1-NE2 3.44Å; A490-H494 PolarHBondContact O-N 3.1Å; L491-H494 PolarHBondContact O-N 3.33Å; E492-H494 VanDerWaalsContact C-N 3.32Å; E492-H494 PolarHBondContact O-N 2.96Å; H494-T496 PolarHBondContact O-N 3.15Å; H494-R497 PolarHBondContact O-N 2.84Å; H494-R497 VanDerWaalsContact O-N 3.15Å; H494-T498 WeakPolarHBondContact O-CG2 3.4Å; H494-T498 PolarHBondContact O-N 3.43Å; H494-T498 PolarHBondContact O-OG1 3.36Å; H494-T498 VanDerWaalsContact O-OG1 3.13Å
495	Y	84.1	Confident	88.8	Confident	13 Å²	13	40.8 Å²	40.8	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-46.1	180	-68.2	-50.8	0	0	0	112.6	I167 L491 E492 R497 T498 L499 L568 P596 M599	I167-Y495 HydrophobicContact CD1-CE1 3.94Å; I167-Y495 HydrophobicContact CG2-CE1 4.49Å; L491-Y495 HydrophobicContact CD2-CE2 3.72Å; L491-Y495 HydrophobicContact CG-CD2 4.42Å; L491-Y495 HydrophobicContact CG-CE2 3.71Å; L491-Y495 WeakPolarHBondContact O-CD2 3.48Å; L491-Y495 PolarHBondContact O-N 2.99Å; L491-Y495 VanDerWaalsContact O-N 3.08Å; E492-Y495 PolarHBondContact O-N 2.91Å; Y495-R497 PolarHBondContact O-N 2.65Å; Y495-T498 WeakPolarHBondContact CA-OG1 3.45Å; Y495-T498 PolarHBondContact O-N 2.79Å; Y495-T498 PolarHBondContact O-OG1 2.85Å; Y495-L499 WeakPolarHBondContact O-CG 3.48Å; Y495-L499 PolarHBondContact O-N 2.97Å; Y495-L568 HydrophobicContact CD1-CD2 4.18Å; Y495-L568 HydrophobicContact CG-CD2 4.27Å; Y495-P596 HydrophobicContact CD1-CG 4.41Å; Y495-P596 HydrophobicContact CE1-CG 3.7Å; Y495-P596 HydrophobicContact CE2-CG 4.22Å; Y495-M599 PolarHBondContact OH-SD 3.05Å
496	T	85.7	Confident	89.2	Confident	26 Å²	26	37.3 Å²	37.3	16%	0.16	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-38.1	179.3	-56.2	0	0	0	0	111.4	E492 H494 L508 L591	E492-T496 WeakPolarHBondContact O-CB 3.34Å; E492-T496 PolarHBondContact O-N 3.45Å; E492-T496 PolarHBondContact O-OG1 3.02Å; H494-T496 PolarHBondContact O-N 3.15Å; T496-L508 HydrophobicContact CG2-CB 3.79Å; T496-L508 HydrophobicContact CG2-CD2 3.65Å; T496-L508 HydrophobicContact CG2-CG 4.33Å; T496-L591 HydrophobicContact CG2-CD1 3.89Å
497	R	85.8	Confident	89.4	Confident	61 Å²	61	38 Å²	38	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-75.8	-35.6	-178.4	-179.9	65.5	68.9	71.8	-8.6	113.2	D440 F493 H494 Y495 L499 L508 G510	D440-R497 IonicContact OD2-NH2 3.79Å; F493-R497 WeakPolarHBondContact O-CB 3.37Å; F493-R497 PolarHBondContact O-N 3.49Å; H494-R497 PolarHBondContact O-N 2.84Å; H494-R497 VanDerWaalsContact O-N 3.15Å; Y495-R497 PolarHBondContact O-N 2.65Å; R497-L499 PolarHBondContact O-N 2.97Å; R497-L508 HydrophobicContact CB-CD2 4.47Å; R497-G510 VanDerWaalsContact NH2-CA 3.28Å
498	T	84.4	Confident	89.5	Confident	77 Å²	77	38 Å²	38	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-73.6	-17.1	-179.1	49.9	0	0	0	0	112.8	H494 Y495	H494-T498 WeakPolarHBondContact O-CG2 3.4Å; H494-T498 PolarHBondContact O-N 3.43Å; H494-T498 PolarHBondContact O-OG1 3.36Å; H494-T498 VanDerWaalsContact O-OG1 3.13Å; Y495-T498 WeakPolarHBondContact CA-OG1 3.45Å; Y495-T498 PolarHBondContact O-N 2.79Å; Y495-T498 PolarHBondContact O-OG1 2.85Å
499	L	86.8	Confident	89.9	Confident	25 Å²	25	36.8 Å²	36.8	13%	0.131	18%	0.182	C	C	.	.	S	Bend	trans	-62.6	132.8	177.8	-77.7	171.7	0	0	0	111.3	Y495 R497 L505 F562 L563 Q566 L568 L591	Y495-L499 WeakPolarHBondContact O-CG 3.48Å; Y495-L499 PolarHBondContact O-N 2.97Å; R497-L499 PolarHBondContact O-N 2.97Å; L499-L505 HydrophobicContact CD1-CD1 4.1Å; L499-F562 HydrophobicContact CD2-CE1 4.26Å; L499-L563 HydrophobicContact CD1-CD2 3.7Å; L499-L563 HydrophobicContact CD2-CD2 4.45Å; L499-Q566 HydrophobicContact CD2-CB 3.72Å; L499-Q566 HydrophobicContact CD2-CG 3.65Å; L499-L568 HydrophobicContact CD1-CD1 4.02Å; L499-L568 HydrophobicContact CD2-CD1 3.84Å; L499-L568 HydrophobicContact CG-CD1 4.06Å; L499-L591 HydrophobicContact CD1-CD1 3.7Å
500	P	90.3	Very high	90.1	Very high	68 Å²	68	36.3 Å²	36.3	44%	0.442	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-57.1	145.3	166.2	-19.7	29.9	0	0	0	110.2	H502 F562	P500-H502 PolarHBondContact O-N 3.22Å; P500-F562 HydrophobicContact CB-CZ 4.01Å; P500-F562 HydrophobicContact CG-CZ 4.18Å; P500-F562 WeakPolarHBondContact O-CZ 3.33Å
501	K	91.3	Very high	90.2	Very high	153 Å²	153	36.3 Å²	36.3	67%	0.665	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-57.7	138.1	174.4	-69.7	-167.2	171	-139.1	0	110.4	D507	K501-D507 WeakPolarHBondContact CE-OD2 3.18Å; K501-D507 IonicContact NZ-OD2 3.64Å; K501-D507 PolarHBondContact NZ-OD2 3.48Å
502	H	95.1	Very high	90.7	Very high	38 Å²	38	36 Å²	36	18%	0.176	18%	0.179	C	C	.	.			trans	-143.6	140.8	-177.4	-171.3	-96.1	0	0	0	110.7	P500 R504 L505 E558 F562	P500-H502 PolarHBondContact O-N 3.22Å; H502-R504 PolarHBondContact ND1-N 3.33Å; H502-R504 VanDerWaalsContact ND1-N 3.14Å; H502-R504 PolarHBondContact O-N 3.4Å; H502-R504 VanDerWaalsContact O-N 3.07Å; H502-L505 HydrophobicContact CB-CB 4.41Å; H502-L505 HydrophobicContact CB-CD1 4.47Å; H502-L505 HydrophobicContact CB-CG 4.29Å; H502-L505 PolarHBondContact O-N 2.97Å; H502-E558 IonicContact CE1-OE1 3.04Å; H502-F562 HydrophobicContact CB-CD1 3.73Å; H502-F562 HydrophobicContact CB-CD2 4.43Å; H502-F562 HydrophobicContact CB-CE1 3.63Å; H502-F562 HydrophobicContact CB-CE2 4.34Å; H502-F562 HydrophobicContact CB-CG 4.13Å; H502-F562 HydrophobicContact CB-CZ 3.95Å; H502-F562 AromaticContact CD2-CD1 3.93Å; H502-F562 AromaticContact CD2-CD2 3.36Å; H502-F562 WeakPolarHBondContact CD2-CD2 3.31Å; H502-F562 AromaticContact CD2-CE2 3.85Å; H502-F562 AromaticContact CD2-CG 3.39Å; H502-F562 WeakPolarHBondContact CD2-CG 3.25Å; H502-F562 AromaticContact CG-CD1 3.65Å; H502-F562 AromaticContact CG-CD2 3.95Å; H502-F562 AromaticContact CG-CG 3.59Å; H502-F562 AromaticContact NE2-CD2 3.91Å; H502-F562 AromaticContact NE2-CG 3.77Å
503	E	96.4	Very high	91.3	Very high	123 Å²	123	35.3 Å²	35.3	58%	0.575	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.2	-175.3	-66.8	-163.4	165.7	0	0	114.1	K587	E503-K587 WeakPolarHBondContact O-CE 3.33Å; E503-K587 WeakPolarHBondContact O-CG 3.31Å
504	R	97.4	Very high	91.5	Very high	22 Å²	22	35.8 Å²	35.8	8%	0.083	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9.8	-175.7	-49.4	-59.9	173.3	-121.3	-22.9	114.3	H502 D555 E558 A586 K587 I588	H502-R504 PolarHBondContact ND1-N 3.33Å; H502-R504 VanDerWaalsContact ND1-N 3.14Å; H502-R504 PolarHBondContact O-N 3.4Å; H502-R504 VanDerWaalsContact O-N 3.07Å; R504-D555 WeakPolarHBondContact CB-O 3.4Å; R504-D555 WeakPolarHBondContact CG-O 3.46Å; R504-D555 IonicContact CZ-OD1 3.39Å; R504-D555 IonicContact NE-OD1 3.85Å; R504-D555 PolarHBondContact NE-OD1 3.04Å; R504-E558 HydrophobicContact CG-CB 4.03Å; R504-E558 HydrophobicContact CG-CG 3.93Å; R504-E558 WeakPolarHBondContact CG-OE2 3.26Å; R504-E558 IonicContact CZ-OE2 2.65Å; R504-E558 IonicContact NE-OE1 3.36Å; R504-E558 IonicContact NE-OE2 3.6Å; R504-E558 PolarHBondContact NE-OE2 3.13Å; R504-E558 IonicContact NH2-OE2 2.79Å; R504-A586 WeakPolarHBondContact CD-O 3.49Å; R504-K587 CarbonylContact O-C 3.54Å; R504-K587 WeakPolarHBondContact O-CA 3.46Å; R504-I588 PolarHBondContact O-N 3.44Å
505	L	95.9	Very high	91.5	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-121.6	145.8	172.9	-62.7	-172.5	0	0	0	110	L499 H502 D507 F562 L563 I588	L499-L505 HydrophobicContact CD1-CD1 4.1Å; H502-L505 HydrophobicContact CB-CB 4.41Å; H502-L505 HydrophobicContact CB-CD1 4.47Å; H502-L505 HydrophobicContact CB-CG 4.29Å; H502-L505 PolarHBondContact O-N 2.97Å; L505-D507 PolarHBondContact O-N 3.02Å; L505-F562 HydrophobicContact CD1-CD1 3.53Å; L505-F562 HydrophobicContact CD1-CE1 3.67Å; L505-F562 HydrophobicContact CG-CD1 4.2Å; L505-L563 HydrophobicContact CD1-CD2 3.65Å; L505-L563 HydrophobicContact CD1-CG 3.98Å; L505-L563 HydrophobicContact CD2-CD1 3.9Å; L505-L563 HydrophobicContact CD2-CD2 4.31Å; L505-L563 HydrophobicContact CD2-CG 3.95Å; L505-I588 HydrophobicContact CD2-CB 3.85Å; L505-I588 HydrophobicContact CD2-CD1 4.37Å; L505-I588 HydrophobicContact CD2-CG1 4.5Å
506	V	94.1	Very high	91.7	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.097	23%	0.226	C	C	.	.			trans	-72.2	121.2	176.2	172.6	0	0	0	0	110.7	L508 M529 E530 L532 L579 K587 I588	V506-L508 PolarHBondContact O-N 3.14Å; V506-M529 HydrophobicContact CG1-CB 4.08Å; V506-E530 VanDerWaalsContact CA-OE1 3.25Å; V506-E530 WeakPolarHBondContact CA-OE1 3.25Å; V506-E530 HydrophobicContact CB-CG 4.42Å; V506-E530 HydrophobicContact CG1-CG 3.71Å; V506-L532 HydrophobicContact CG2-CD1 3.72Å; V506-L579 HydrophobicContact CG2-CD1 4.1Å; V506-K587 HydrophobicContact CG2-CB 3.84Å; V506-I588 WeakPolarHBondContact CG2-O 3.41Å; V506-I588 PolarHBondContact N-O 2.93Å
507	D	92.1	Very high	91.7	Very high	31 Å²	31	45.2 Å²	45.2	17%	0.166	23%	0.225	C	C	.	.			trans	-64.6	126.8	176.5	-89.9	6.6	0	0	0	111.9	K501 L505 M529 E530	K501-D507 WeakPolarHBondContact CE-OD2 3.18Å; K501-D507 IonicContact NZ-OD2 3.64Å; K501-D507 PolarHBondContact NZ-OD2 3.48Å; L505-D507 PolarHBondContact O-N 3.02Å; D507-M529 CarbonylContact O-C 3.59Å; D507-M529 VanDerWaalsContact O-CA 3.25Å; D507-M529 WeakPolarHBondContact O-CA 3.17Å; D507-E530 HydrophobicContact CB-CB 4.22Å; D507-E530 HydrophobicContact CB-CG 4.02Å; D507-E530 PolarHBondContact N-OE1 3.24Å; D507-E530 PolarHBondContact O-N 3.5Å
508	L	92.6	Very high	91.4	Very high	26 Å²	26	44.3 Å²	44.3	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	105.5	169.6	179	69.4	0	0	0	110.3	F493 T496 R497 V506 L527 M529	F493-L508 HydrophobicContact CD2-CD2 3.65Å; F493-L508 HydrophobicContact CE2-CD2 3.71Å; F493-L508 HydrophobicContact CE2-CG 4.44Å; T496-L508 HydrophobicContact CG2-CB 3.79Å; T496-L508 HydrophobicContact CG2-CD2 3.65Å; T496-L508 HydrophobicContact CG2-CG 4.33Å; R497-L508 HydrophobicContact CB-CD2 4.47Å; V506-L508 PolarHBondContact O-N 3.14Å; L508-L527 HydrophobicContact CD1-CB 4.13Å; L508-M529 HydrophobicContact CD1-CG 3.76Å
509	H	91.1	Very high	91.2	Very high	28 Å²	28	49 Å²	49	13%	0.13	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-38.2	-178.1	-59.1	-34.6	0	0	0	113.3	H470 I528 E530	H470-H509 AromaticContact CD2-CG 3.89Å; H470-H509 AromaticContact CE1-ND1 3.77Å; H470-H509 AromaticContact CG-CD2 3.66Å; H470-H509 AromaticContact CG-CG 3.68Å; H470-H509 AromaticContact CG-ND1 3.93Å; H470-H509 AromaticContact CG-NE2 3.9Å; H470-H509 AromaticContact ND1-CD2 3.99Å; H470-H509 AromaticContact ND1-CE1 3.61Å; H470-H509 AromaticContact ND1-CG 3.84Å; H470-H509 AromaticContact ND1-ND1 3.59Å; H470-H509 AromaticContact ND1-NE2 3.84Å; H509-I528 HydrophobicContact CB-CG2 4.24Å; H509-I528 PolarHBondContact N-O 3.39Å; H509-E530 PolarHBondContact NE2-N 3.47Å
510	G	91.7	Very high	90.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	171.1	-167.2	0	0	0	0	0	114.2	D440 R497 I528	D440-G510 WeakPolarHBondContact OD2-CA 3.33Å; R497-G510 VanDerWaalsContact NH2-CA 3.28Å; G510-I528 PolarHBondContact N-O 3.08Å; G510-I528 VanDerWaalsContact N-O 3.16Å; G510-I528 PolarHBondContact O-N 3.47Å
511	S	93.9	Very high	90.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.1	164.5	55.4	0	0	0	0	111.7	L433 S437 D440 F493 L526	L433-S511 WeakPolarHBondContact CD1-OG 3.45Å; S437-S511 WeakPolarHBondContact CA-O 3.23Å; D440-S511 WeakPolarHBondContact CB-O 3.35Å; D440-S511 PolarHBondContact OD2-N 2.91Å; D440-S511 VanDerWaalsContact OD2-N 3.13Å; F493-S511 WeakPolarHBondContact CE2-OG 3.39Å; F493-S511 WeakPolarHBondContact CZ-OG 3.43Å; S511-L526 CarbonylContact C-O 3.54Å; S511-L526 VanDerWaalsContact CA-O 3.24Å; S511-L526 WeakPolarHBondContact CA-O 3.43Å
512	V	95.3	Very high	90.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	127.3	173.5	170.7	0	0	0	0	108.8	V441 K446 W467 L526 I528	V441-V512 HydrophobicContact CG2-CB 4.19Å; V441-V512 HydrophobicContact CG2-CG1 3.56Å; V441-V512 HydrophobicContact CG2-CG2 3.76Å; K446-V512 HydrophobicContact CG-CG1 4.34Å; W467-V512 HydrophobicContact CZ2-CG2 3.98Å; V512-L526 HydrophobicContact CB-CB 4.4Å; V512-L526 PolarHBondContact N-O 3.24Å; V512-L526 WeakPolarHBondContact O-CA 3.4Å; V512-L526 WeakPolarHBondContact O-CB 3.13Å; V512-L526 PolarHBondContact O-N 3.48Å; V512-I528 HydrophobicContact CG2-CD1 4.15Å
513	I	95.3	Very high	90	Very high	10 Å²	10	48 Å²	48	5%	0.051	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.9	169.6	-59.2	164.1	0	0	0	107.4	E434 S437 W486 I523 A524 V525	E434-I513 HydrophobicContact CB-CD1 4.17Å; E434-I513 HydrophobicContact CG-CD1 3.66Å; S437-I513 PolarHBondContact OG-N 2.99Å; W486-I513 HydrophobicContact CH2-CD1 3.62Å; W486-I513 HydrophobicContact CH2-CG1 4.07Å; W486-I513 HydrophobicContact CZ2-CD1 4.19Å; W486-I513 HydrophobicContact CZ2-CG1 4.37Å; W486-I513 HydrophobicContact CZ2-CG2 4.42Å; I513-I523 HydrophobicContact CG2-CG2 3.66Å; I513-A524 CarbonylContact C-O 3.51Å; I513-A524 WeakPolarHBondContact CA-O 3.4Å; I513-V525 HydrophobicContact CG1-CG2 4.44Å
514	D	92.6	Very high	89.8	Confident	18 Å²	18	42.2 Å²	42.2	10%	0.096	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101	177.1	-168.5	12	0	0	0	110.8	K446 T516 A524 L526	K446-D514 IonicContact NZ-OD1 2.61Å; K446-D514 PolarHBondContact NZ-OD1 3.43Å; D514-T516 PolarHBondContact O-N 3Å; D514-T516 PolarHBondContact OD1-N 2.87Å; D514-T516 VanDerWaalsContact OD1-N 3.1Å; D514-T516 PolarHBondContact OD1-OG1 3.32Å; D514-A524 PolarHBondContact N-O 3.21Å; D514-A524 PolarHBondContact O-N 3.06Å; D514-A524 VanDerWaalsContact O-N 3.07Å; D514-L526 HydrophobicContact CB-CD1 4.04Å; D514-L526 HydrophobicContact CB-CG 4.25Å
515	H	90.4	Very high	89.6	Confident	121 Å²	121	41.1 Å²	41.1	56%	0.56	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	-9.8	174.9	-61.2	-75.2	0	0	0	113.6
516	T	87.4	Confident	89.6	Confident	85 Å²	85	40.8 Å²	40.8	52%	0.521	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	12.2	-179	49.6	0	0	0	0	112.5	K446 D514 D519 G520	K446-T516 PolarHBondContact NZ-OG1 3.47Å; D514-T516 PolarHBondContact O-N 3Å; D514-T516 PolarHBondContact OD1-N 2.87Å; D514-T516 VanDerWaalsContact OD1-N 3.1Å; D514-T516 PolarHBondContact OD1-OG1 3.32Å; T516-D519 PolarHBondContact O-N 3.06Å; T516-G520 PolarHBondContact O-N 3.44Å
517	Y	85.3	Confident	89.5	Confident	38 Å²	38	40.3 Å²	40.3	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	140	-176.3	-165.2	-90.2	0	0	0	111.5	L449 Y462 S477 I479 D519 G520 S521 S522 A524 L526	L449-Y517 HydrophobicContact CD2-CE2 4.23Å; Y462-Y517 PolarHBondContact OH-OH 2.9Å; S477-Y517 WeakPolarHBondContact OG-CE2 3.46Å; S477-Y517 PolarHBondContact OG-OH 3.24Å; I479-Y517 HydrophobicContact CD1-CD1 4.05Å; I479-Y517 HydrophobicContact CD1-CE1 3.69Å; I479-Y517 HydrophobicContact CG1-CE1 4.33Å; Y517-D519 PolarHBondContact O-N 3.32Å; Y517-G520 PolarHBondContact O-N 3.47Å; Y517-G520 VanDerWaalsContact O-N 3.13Å; Y517-S521 PolarHBondContact O-N 3.37Å; Y517-S522 WeakPolarHBondContact CB-O 3.28Å; Y517-S522 PolarHBondContact O-N 2.93Å; Y517-S522 VanDerWaalsContact O-O 3.09Å; Y517-A524 HydrophobicContact CD1-CB 3.94Å; Y517-A524 HydrophobicContact CD2-CB 3.55Å; Y517-A524 HydrophobicContact CE1-CB 4.45Å; Y517-A524 HydrophobicContact CE2-CB 4.08Å; Y517-A524 HydrophobicContact CG-CB 3.45Å; Y517-A524 VanDerWaalsContact CG-CB 3.45Å; Y517-L526 HydrophobicContact CD2-CD2 4.44Å; Y517-L526 HydrophobicContact CE2-CD2 4.41Å
518	G	80.3	Confident	89.6	Confident	41 Å²	41	38.8 Å²	38.8	42%	0.423	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	47	-177	0	0	0	0	0	112.6	G520 S521	G518-G520 PolarHBondContact O-N 2.96Å; G518-S521 WeakPolarHBondContact O-CB 3.4Å; G518-S521 PolarHBondContact O-N 2.97Å; G518-S521 VanDerWaalsContact O-N 3.13Å; G518-S521 PolarHBondContact O-OG 3.43Å
519	D	80.6	Confident	89.7	Confident	176 Å²	176	38.8 Å²	38.8	94%	0.941	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.7	-176.1	-57.2	-34.6	0	0	0	114.1	T516 Y517	T516-D519 PolarHBondContact O-N 3.06Å; Y517-D519 PolarHBondContact O-N 3.32Å
520	G	79.8	Confident	89.8	Confident	48 Å²	48	39 Å²	39	50%	0.495	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	6.9	179.9	0	0	0	0	0	114.6	T516 Y517 G518 S522	T516-G520 PolarHBondContact O-N 3.44Å; Y517-G520 PolarHBondContact O-N 3.47Å; Y517-G520 VanDerWaalsContact O-N 3.13Å; G518-G520 PolarHBondContact O-N 2.96Å; G520-S522 VanDerWaalsContact C-N 3.3Å
521	S	81.5	Confident	89.9	Confident	94 Å²	94	42.2 Å²	42.2	66%	0.657	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.8	175.7	63.4	0	0	0	0	113.5	Y517 G518	Y517-S521 PolarHBondContact O-N 3.37Å; G518-S521 WeakPolarHBondContact O-CB 3.4Å; G518-S521 PolarHBondContact O-N 2.97Å; G518-S521 VanDerWaalsContact O-N 3.13Å; G518-S521 PolarHBondContact O-OG 3.43Å
522	S	85.9	Confident	89.9	Confident	45 Å²	45	43.1 Å²	43.1	32%	0.315	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.2	-177	-68.6	0	0	0	0	112	Y517 G520	Y517-S522 WeakPolarHBondContact CB-O 3.28Å; Y517-S522 PolarHBondContact O-N 2.93Å; Y517-S522 VanDerWaalsContact O-O 3.09Å; G520-S522 VanDerWaalsContact C-N 3.3Å
523	I	90.6	Very high	89.9	Confident	77 Å²	77	48.4 Å²	48.4	40%	0.395	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.5	171.8	-58.1	173.7	0	0	0	107.4	I513	I513-I523 HydrophobicContact CG2-CG2 3.66Å
524	A	92.3	Very high	89.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.8	176.9	0	0	0	0	0	111.1	V478 I479 I513 D514 Y517 L526	V478-A524 CarbonylContact O-C 3.55Å; V478-A524 WeakPolarHBondContact O-CA 3.18Å; I479-A524 HydrophobicContact CG1-CB 4.19Å; I513-A524 CarbonylContact C-O 3.51Å; I513-A524 WeakPolarHBondContact CA-O 3.4Å; D514-A524 PolarHBondContact N-O 3.21Å; D514-A524 PolarHBondContact O-N 3.06Å; D514-A524 VanDerWaalsContact O-N 3.07Å; Y517-A524 HydrophobicContact CD1-CB 3.94Å; Y517-A524 HydrophobicContact CD2-CB 3.55Å; Y517-A524 HydrophobicContact CE1-CB 4.45Å; Y517-A524 HydrophobicContact CE2-CB 4.08Å; Y517-A524 HydrophobicContact CG-CB 3.45Å; Y517-A524 VanDerWaalsContact CG-CB 3.45Å; A524-L526 HydrophobicContact CB-CD2 3.98Å
525	V	93.9	Very high	90	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118	165.9	-179	0	0	0	0	107.6	L433 V478 P480 W486 L489 I513 L527	L433-V525 HydrophobicContact CD2-CG1 4.01Å; L433-V525 HydrophobicContact CD2-CG2 4.35Å; V478-V525 PolarHBondContact N-O 3.14Å; V478-V525 PolarHBondContact O-N 3.35Å; P480-V525 HydrophobicContact CG-CG2 4.39Å; W486-V525 HydrophobicContact CH2-CG2 3.96Å; W486-V525 HydrophobicContact CZ2-CG2 3.7Å; L489-V525 HydrophobicContact CD2-CB 3.72Å; L489-V525 HydrophobicContact CD2-CG1 4.05Å; L489-V525 HydrophobicContact CD2-CG2 3.74Å; I513-V525 HydrophobicContact CG1-CG2 4.44Å; V525-L527 HydrophobicContact CG1-CD2 3.94Å; V525-L527 HydrophobicContact CG1-CG 4.48Å
526	L	94.2	Very high	90.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.6	178	-46.2	-176	0	0	0	108.4	P447 L449 L475 K476 S511 V512 D514 Y517 A524	P447-L526 HydrophobicContact CG-CD1 4.08Å; L449-L526 HydrophobicContact CD1-CD1 4.2Å; L475-L526 HydrophobicContact CD1-CB 4.16Å; L475-L526 HydrophobicContact CD1-CD1 4.27Å; L475-L526 HydrophobicContact CD2-CB 4.11Å; L475-L526 HydrophobicContact CD2-CD1 4.46Å; L475-L526 HydrophobicContact CD2-CD2 4.03Å; L475-L526 HydrophobicContact CD2-CG 4.41Å; L475-L526 HydrophobicContact CG-CB 4.16Å; K476-L526 WeakPolarHBondContact O-CA 3.29Å; S511-L526 CarbonylContact C-O 3.54Å; S511-L526 VanDerWaalsContact CA-O 3.24Å; S511-L526 WeakPolarHBondContact CA-O 3.43Å; V512-L526 HydrophobicContact CB-CB 4.4Å; V512-L526 PolarHBondContact N-O 3.24Å; V512-L526 WeakPolarHBondContact O-CA 3.4Å; V512-L526 WeakPolarHBondContact O-CB 3.13Å; V512-L526 PolarHBondContact O-N 3.48Å; D514-L526 HydrophobicContact CB-CD1 4.04Å; D514-L526 HydrophobicContact CB-CG 4.25Å; Y517-L526 HydrophobicContact CD2-CD2 4.44Å; Y517-L526 HydrophobicContact CE2-CD2 4.41Å; A524-L526 HydrophobicContact CB-CD2 3.98Å
527	L	93.8	Very high	90.7	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.7	175.6	-57.7	179.5	0	0	0	109.2	L475 K476 L489 F493 L508 V525	L475-L527 CarbonylContact C-O 3.56Å; L475-L527 WeakPolarHBondContact CA-O 3.33Å; K476-L527 HydrophobicContact CB-CB 4.32Å; K476-L527 HydrophobicContact CD-CD1 4.48Å; K476-L527 PolarHBondContact N-O 3.39Å; K476-L527 PolarHBondContact O-N 3.02Å; L489-L527 HydrophobicContact CD1-CD1 4.33Å; F493-L527 HydrophobicContact CD2-CD2 3.74Å; F493-L527 HydrophobicContact CE2-CD2 4.27Å; L508-L527 HydrophobicContact CD1-CB 4.13Å; V525-L527 HydrophobicContact CG1-CD2 3.94Å; V525-L527 HydrophobicContact CG1-CG 4.48Å
528	I	94.2	Very high	91.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.5	-179.6	-56.2	87.2	0	0	0	108.3	P447 W467 C473 H509 G510 V512	P447-I528 HydrophobicContact CB-CG1 4.36Å; P447-I528 HydrophobicContact CG-CD1 4.32Å; P447-I528 HydrophobicContact CG-CG1 4.26Å; W467-I528 HydrophobicContact CB-CG2 4.3Å; W467-I528 HydrophobicContact CD2-CD1 4.47Å; W467-I528 HydrophobicContact CD2-CG1 4.05Å; W467-I528 HydrophobicContact CD2-CG2 4.19Å; W467-I528 HydrophobicContact CE3-CB 4.03Å; W467-I528 HydrophobicContact CE3-CD1 4.46Å; W467-I528 HydrophobicContact CE3-CG1 4.05Å; W467-I528 HydrophobicContact CE3-CG2 3.72Å; W467-I528 HydrophobicContact CG-CG2 4.49Å; W467-I528 HydrophobicContact CH2-CD1 4.16Å; W467-I528 HydrophobicContact CZ2-CD1 4.18Å; W467-I528 HydrophobicContact CZ3-CB 4.27Å; W467-I528 HydrophobicContact CZ3-CD1 4.32Å; W467-I528 HydrophobicContact CZ3-CG1 4.34Å; W467-I528 HydrophobicContact CZ3-CG2 4.39Å; C473-I528 HydrophobicContact CB-CG2 4.19Å; H509-I528 HydrophobicContact CB-CG2 4.24Å; H509-I528 PolarHBondContact N-O 3.39Å; G510-I528 PolarHBondContact N-O 3.08Å; G510-I528 VanDerWaalsContact N-O 3.16Å; G510-I528 PolarHBondContact O-N 3.47Å; V512-I528 HydrophobicContact CG2-CD1 4.15Å
529	M	93.7	Very high	92	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.8	-173.8	-57.5	174.9	-61.4	0	0	110.6	C473 A474 K476 V506 D507 L508	C473-M529 CarbonylContact C-O 3.57Å; C473-M529 WeakPolarHBondContact CA-O 3.29Å; A474-M529 PolarHBondContact N-O 2.93Å; A474-M529 PolarHBondContact O-N 3.17Å; K476-M529 HydrophobicContact CB-CE 3.62Å; K476-M529 HydrophobicContact CD-CE 4.43Å; V506-M529 HydrophobicContact CG1-CB 4.08Å; D507-M529 CarbonylContact O-C 3.59Å; D507-M529 VanDerWaalsContact O-CA 3.25Å; D507-M529 WeakPolarHBondContact O-CA 3.17Å; L508-M529 HydrophobicContact CD1-CG 3.76Å
530	E	92.9	Very high	92.8	Very high	34 Å²	34	37 Å²	37	16%	0.159	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	146.7	166.4	69.2	173.6	141.6	0	0	110.6	V506 D507 H509 L532 K587	V506-E530 VanDerWaalsContact CA-OE1 3.25Å; V506-E530 WeakPolarHBondContact CA-OE1 3.25Å; V506-E530 HydrophobicContact CB-CG 4.42Å; V506-E530 HydrophobicContact CG1-CG 3.71Å; D507-E530 HydrophobicContact CB-CB 4.22Å; D507-E530 HydrophobicContact CB-CG 4.02Å; D507-E530 PolarHBondContact N-OE1 3.24Å; D507-E530 PolarHBondContact O-N 3.5Å; H509-E530 PolarHBondContact NE2-N 3.47Å; E530-L532 HydrophobicContact CG-CD1 3.96Å; E530-K587 VanDerWaalsContact OE1-CD 3.26Å; E530-K587 WeakPolarHBondContact OE1-CD 3.25Å; E530-K587 IonicContact OE1-NZ 3.98Å; E530-K587 PolarHBondContact OE1-NZ 3.32Å; E530-K587 IonicContact OE2-NZ 3.53Å; E530-K587 PolarHBondContact OE2-NZ 3.35Å
531	R	93.9	Very high	93.5	Very high	67 Å²	67	41.1 Å²	41.1	25%	0.253	21%	0.206	S	C	.	.			trans	-107	124	177	-176.9	170.2	58.5	77.6	-8.9	112.1	L463 P472 C473 A474	L463-R531 VanDerWaalsContact CD1-NE 3.29Å; P472-R531 HydrophobicContact CB-CB 4.23Å; P472-R531 HydrophobicContact CG-CB 4.41Å; P472-R531 PolarHBondContact O-N 2.93Å; C473-R531 VanDerWaalsContact C-CB 3.42Å; C473-R531 WeakPolarHBondContact O-CB 3.49Å; C473-R531 VanDerWaalsContact O-CD 3.28Å; C473-R531 WeakPolarHBondContact O-CD 3.44Å; C473-R531 PolarHBondContact O-NE 3.31Å; A474-R531 HydrophobicContact CB-CB 3.91Å; A474-R531 HydrophobicContact CB-CG 4.17Å
532	L	94.6	Very high	94.2	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.099	20%	0.2	C	C	.	.			trans	-94.1	174.6	172.8	-73.3	96.7	0	0	0	111.9	V506 E530 L579 L580 D581 K587	V506-L532 HydrophobicContact CG2-CD1 3.72Å; E530-L532 HydrophobicContact CG-CD1 3.96Å; L532-L579 HydrophobicContact CB-CB 3.82Å; L532-L579 HydrophobicContact CB-CD1 4.39Å; L532-L579 HydrophobicContact CD1-CB 4.02Å; L532-L579 HydrophobicContact CD1-CD1 4.01Å; L532-L579 HydrophobicContact CD2-CB 3.87Å; L532-L579 HydrophobicContact CG-CB 4.11Å; L532-L580 WeakPolarHBondContact CB-O 3.18Å; L532-D581 HydrophobicContact CD2-CB 4.26Å; L532-K587 HydrophobicContact CD1-CD 4.34Å; L532-K587 HydrophobicContact CD2-CB 3.9Å; L532-K587 HydrophobicContact CD2-CD 4Å; L532-K587 HydrophobicContact CD2-CG 3.86Å
533	H	94.4	Very high	94.6	Very high	111 Å²	111	40.5 Å²	40.5	51%	0.514	22%	0.215	S	C	.	.	S	Bend	trans	-74	-45.3	-173.1	-179.8	51.7	0	0	0	112.4	L580 K582	H533-L580 WeakPolarHBondContact CA-O 3.42Å; H533-L580 VanDerWaalsContact CB-O 3.32Å; H533-L580 WeakPolarHBondContact CB-O 3.44Å; H533-L580 PolarHBondContact N-O 3.39Å; H533-K582 HydrophobicContact CB-CG 4.33Å
534	R	93.9	Very high	94.9	Very high	62 Å²	62	37.4 Å²	37.4	23%	0.234	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.7	-177.3	58.7	-171.4	173.8	-175.4	1.9	111.8	T538 L579 L580 N584	R534-T538 HydrophobicContact CB-CG2 4.34Å; R534-L579 CarbonylContact O-C 3.54Å; R534-L580 HydrophobicContact CG-CB 4.19Å; R534-L580 HydrophobicContact CG-CD1 4.49Å; R534-L580 PolarHBondContact N-O 3.18Å; R534-L580 PolarHBondContact O-N 3.41Å; R534-N584 PolarHBondContact NH2-OD1 3.09Å
535	D	95.6	Very high	95.1	Very high	44 Å²	44	40.1 Å²	40.1	24%	0.235	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	160.8	165.9	61.9	41.9	0	0	0	111.8	Y537 T538 G539 V578 L579	D535-Y537 VanDerWaalsContact C-N 3.29Å; D535-Y537 PolarHBondContact O-N 2.83Å; D535-Y537 WeakPolarHBondContact OD1-CB 3.4Å; D535-Y537 PolarHBondContact OD1-N 2.77Å; D535-T538 PolarHBondContact O-N 2.91Å; D535-T538 WeakPolarHBondContact OD1-CB 3.37Å; D535-T538 PolarHBondContact OD1-N 2.99Å; D535-T538 PolarHBondContact OD1-OG1 2.82Å; D535-G539 PolarHBondContact O-N 3.46Å; D535-V578 CarbonylContact C-O 3.29Å; D535-V578 WeakPolarHBondContact CA-O 3.44Å; D535-L579 HydrophobicContact CB-CD2 3.86Å
536	L	97.4	Very high	95.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-32.7	-179.6	174.4	60.3	0	0	0	112.2	T538 G539 L540 L544 I552 L575 V578 L580 L632 L636	L536-T538 VanDerWaalsContact C-N 3.29Å; L536-T538 PolarHBondContact O-N 3.19Å; L536-G539 PolarHBondContact O-N 3.19Å; L536-L540 HydrophobicContact CD1-CD2 4.47Å; L536-L540 HydrophobicContact CD1-CG 4.05Å; L536-L540 HydrophobicContact CG-CD1 4.44Å; L536-L540 HydrophobicContact CG-CG 4.42Å; L536-L540 WeakPolarHBondContact O-CG 3.49Å; L536-L540 PolarHBondContact O-N 3.49Å; L536-L544 HydrophobicContact CD1-CD1 3.94Å; L536-I552 HydrophobicContact CD1-CD1 3.99Å; L536-I552 HydrophobicContact CD1-CG2 3.94Å; L536-I552 HydrophobicContact CD2-CG2 3.95Å; L536-L575 WeakPolarHBondContact CB-O 3.46Å; L536-L575 HydrophobicContact CD2-CD2 3.65Å; L536-L575 HydrophobicContact CG-CD2 3.79Å; L536-L575 PolarHBondContact N-O 2.65Å; L536-V578 HydrophobicContact CB-CB 3.92Å; L536-V578 HydrophobicContact CB-CG1 4.05Å; L536-V578 WeakPolarHBondContact CB-O 3.28Å; L536-V578 HydrophobicContact CD2-CB 4.01Å; L536-V578 HydrophobicContact CD2-CG1 3.99Å; L536-V578 HydrophobicContact CD2-CG2 4.46Å; L536-V578 PolarHBondContact N-O 2.82Å; L536-L580 HydrophobicContact CD1-CD1 4.1Å; L536-L580 HydrophobicContact CD1-CD2 4.48Å; L536-L632 HydrophobicContact CD2-CD1 4.13Å; L536-L636 HydrophobicContact CD1-CD2 3.93Å; L536-L636 HydrophobicContact CD2-CD2 3.9Å; L536-L636 HydrophobicContact CG-CD2 4.41Å
537	Y	96.2	Very high	95.3	Very high	72 Å²	72	48.3 Å²	48.3	28%	0.282	25%	0.254	S	S	.	.	H	α-helix	trans	-55.8	-46.4	173.1	179.5	-87.9	0	0	0	111.4	D535 K541 L575 V641	D535-Y537 VanDerWaalsContact C-N 3.29Å; D535-Y537 PolarHBondContact O-N 2.83Å; D535-Y537 WeakPolarHBondContact OD1-CB 3.4Å; D535-Y537 PolarHBondContact OD1-N 2.77Å; Y537-K541 HydrophobicContact CE1-CD 3.9Å; Y537-K541 VanDerWaalsContact CZ-CE 3.44Å; Y537-K541 PolarHBondContact O-N 3.24Å; Y537-K541 WeakPolarHBondContact OH-CE 3.45Å; Y537-K541 PolarHBondContact OH-NZ 2.96Å; Y537-L575 HydrophobicContact CD2-CD1 4.16Å; Y537-L575 PolarHBondContact N-O 2.83Å; Y537-V641 HydrophobicContact CD2-CB 3.83Å; Y537-V641 HydrophobicContact CD2-CG1 3.66Å; Y537-V641 HydrophobicContact CD2-CG2 4.47Å; Y537-V641 HydrophobicContact CE2-CB 3.49Å; Y537-V641 VanDerWaalsContact CE2-CB 3.49Å; Y537-V641 HydrophobicContact CE2-CG1 3.83Å; Y537-V641 HydrophobicContact CE2-CG2 3.79Å; Y537-V641 HydrophobicContact CG-CG1 4.12Å; Y537-V641 WeakPolarHBondContact O-CG1 3.35Å
538	T	95.8	Very high	95.4	Very high	66 Å²	66	51 Å²	51	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-70.3	-38.1	177.4	-55.5	0	0	0	0	111.1	R534 D535 L536 K541 A542	R534-T538 HydrophobicContact CB-CG2 4.34Å; D535-T538 PolarHBondContact O-N 2.91Å; D535-T538 WeakPolarHBondContact OD1-CB 3.37Å; D535-T538 PolarHBondContact OD1-N 2.99Å; D535-T538 PolarHBondContact OD1-OG1 2.82Å; L536-T538 VanDerWaalsContact C-N 3.29Å; L536-T538 PolarHBondContact O-N 3.19Å; T538-K541 PolarHBondContact O-N 2.83Å; T538-A542 WeakPolarHBondContact O-CB 3.16Å; T538-A542 PolarHBondContact O-N 3.36Å
539	G	96.9	Very high	95.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.8	-52	172.3	0	0	0	0	0	112.4	D535 L536 K541 A542 G543 L544	D535-G539 PolarHBondContact O-N 3.46Å; L536-G539 PolarHBondContact O-N 3.19Å; G539-K541 PolarHBondContact O-N 3.23Å; G539-A542 WeakPolarHBondContact O-CA 3.44Å; G539-A542 WeakPolarHBondContact O-CB 3.13Å; G539-A542 PolarHBondContact O-N 2.89Å; G539-G543 PolarHBondContact O-N 3.42Å; G539-L544 VanDerWaalsContact C-CD1 3.47Å; G539-L544 WeakPolarHBondContact O-CG 3.47Å
540	L	96.8	Very high	95.8	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-42.2	179.2	-70.3	176.2	0	0	0	112.2	L536 A542 G543 L544 R549 L575 L636 V641	L536-L540 HydrophobicContact CD1-CD2 4.47Å; L536-L540 HydrophobicContact CD1-CG 4.05Å; L536-L540 HydrophobicContact CG-CD1 4.44Å; L536-L540 HydrophobicContact CG-CG 4.42Å; L536-L540 WeakPolarHBondContact O-CG 3.49Å; L536-L540 PolarHBondContact O-N 3.49Å; L540-A542 PolarHBondContact O-N 2.82Å; L540-G543 PolarHBondContact O-N 2.97Å; L540-L544 HydrophobicContact CD2-CD1 4.18Å; L540-L544 HydrophobicContact CG-CD1 4.5Å; L540-R549 HydrophobicContact CD2-CG 3.91Å; L540-L575 HydrophobicContact CD1-CD1 4.3Å; L540-L575 HydrophobicContact CD1-CD2 3.6Å; L540-L636 HydrophobicContact CD2-CD2 4.35Å; L540-V641 HydrophobicContact CB-CG1 3.83Å; L540-V641 HydrophobicContact CD1-CG1 4.23Å
541	K	96.1	Very high	96.1	Very high	134 Å²	134	52.1 Å²	52.1	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-60.3	-30.4	173.6	-78.8	-166.8	176.4	-177.5	0	113.5	Y537 T538 G539 G543 V641	Y537-K541 HydrophobicContact CE1-CD 3.9Å; Y537-K541 VanDerWaalsContact CZ-CE 3.44Å; Y537-K541 PolarHBondContact O-N 3.24Å; Y537-K541 WeakPolarHBondContact OH-CE 3.45Å; Y537-K541 PolarHBondContact OH-NZ 2.96Å; T538-K541 PolarHBondContact O-N 2.83Å; G539-K541 PolarHBondContact O-N 3.23Å; K541-G543 PolarHBondContact O-N 3.5Å; K541-V641 HydrophobicContact CD-CG2 4.31Å; K541-V641 HydrophobicContact CG-CG1 4.26Å; K541-V641 HydrophobicContact CG-CG2 3.77Å
542	A	95.1	Very high	96.3	Very high	64 Å²	64	48.9 Å²	48.9	53%	0.529	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.1	177.6	0	0	0	0	0	113.5	T538 G539 L540	T538-A542 WeakPolarHBondContact O-CB 3.16Å; T538-A542 PolarHBondContact O-N 3.36Å; G539-A542 WeakPolarHBondContact O-CA 3.44Å; G539-A542 WeakPolarHBondContact O-CB 3.13Å; G539-A542 PolarHBondContact O-N 2.89Å; L540-A542 PolarHBondContact O-N 2.82Å
543	G	94.8	Very high	96.5	Very high	62 Å²	62	48 Å²	48	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	55	173.9	0	0	0	0	0	114.3	G539 L540 K541 S545	G539-G543 PolarHBondContact O-N 3.42Å; L540-G543 PolarHBondContact O-N 2.97Å; K541-G543 PolarHBondContact O-N 3.5Å; G543-S545 PolarHBondContact O-N 3.3Å
544	L	96.9	Very high	96.7	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.068	23%	0.231	C	C	.	.			trans	-60.6	133.8	172	-71.1	165.6	0	0	0	111.5	L536 G539 L540 E548 R549 I552 L580 N584	L536-L544 HydrophobicContact CD1-CD1 3.94Å; G539-L544 VanDerWaalsContact C-CD1 3.47Å; G539-L544 WeakPolarHBondContact O-CG 3.47Å; L540-L544 HydrophobicContact CD2-CD1 4.18Å; L540-L544 HydrophobicContact CG-CD1 4.5Å; L544-E548 HydrophobicContact CB-CB 4.4Å; L544-E548 HydrophobicContact CD2-CB 4.09Å; L544-R549 HydrophobicContact CB-CG 3.75Å; L544-R549 PolarHBondContact O-NE 3.01Å; L544-I552 HydrophobicContact CD1-CD1 3.7Å; L544-I552 HydrophobicContact CD2-CD1 4.49Å; L544-L580 HydrophobicContact CD1-CD1 4.02Å; L544-N584 HydrophobicContact CD2-CB 4.15Å
545	S	96.1	Very high	96.9	Very high	57 Å²	57	40.3 Å²	40.3	40%	0.399	22%	0.22	S	C	.	.			trans	-63.6	161.7	175.2	67	0	0	0	0	111.8	G543 R547 E548 R549	G543-S545 PolarHBondContact O-N 3.3Å; S545-R547 VanDerWaalsContact C-N 3.31Å; S545-R547 PolarHBondContact O-N 2.86Å; S545-E548 WeakPolarHBondContact CB-OE2 3.34Å; S545-E548 PolarHBondContact N-OE2 2.9Å; S545-E548 PolarHBondContact O-N 3.48Å; S545-E548 VanDerWaalsContact OG-CD 3.3Å; S545-E548 VanDerWaalsContact OG-CG 3.25Å; S545-E548 WeakPolarHBondContact OG-CG 3.44Å; S545-E548 PolarHBondContact OG-N 3.31Å; S545-E548 PolarHBondContact OG-OE2 3.46Å; S545-R549 VanDerWaalsContact O-CG 3.3Å; S545-R549 WeakPolarHBondContact O-CG 3.41Å; S545-R549 PolarHBondContact O-N 3.44Å; S545-R549 PolarHBondContact O-NE 3.07Å
546	L	95.2	Very high	97	Very high	68 Å²	68	38.2 Å²	38.2	36%	0.356	21%	0.209	S	C	.	.	H	α-helix	trans	-57.8	-43.7	176.5	-179.6	61.9	0	0	0	111.9	E548 R549 L550 L708	L546-E548 PolarHBondContact O-N 3.23Å; L546-R549 PolarHBondContact O-N 3.24Å; L546-L550 HydrophobicContact CD1-CD1 4.18Å; L546-L550 HydrophobicContact CD1-CG 4.12Å; L546-L550 HydrophobicContact CG-CD1 4.08Å; L546-L550 HydrophobicContact CG-CG 4.39Å; L546-L550 WeakPolarHBondContact O-CG 3.21Å; L546-L550 PolarHBondContact O-N 2.88Å; L546-L708 HydrophobicContact CD2-CB 4.36Å; L546-L708 HydrophobicContact CD2-CD1 4.46Å
547	R	96.1	Very high	97.1	Very high	106 Å²	106	38.2 Å²	38.2	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-47.6	177.5	178.6	-179.9	-77.5	-104.8	4.6	111.5	S545 R549 L550 Q551 C709 D710	S545-R547 VanDerWaalsContact C-N 3.31Å; S545-R547 PolarHBondContact O-N 2.86Å; R547-R549 VanDerWaalsContact C-N 3.33Å; R547-R549 PolarHBondContact O-N 3.12Å; R547-L550 PolarHBondContact O-N 2.92Å; R547-Q551 WeakPolarHBondContact O-CB 3.29Å; R547-Q551 PolarHBondContact O-N 2.94Å; R547-C709 HydrophobicContact CB-CB 4.3Å; R547-C709 HydrophobicContact CG-CB 4.45Å; R547-C709 PolarHBondContact NH2-O 2.81Å; R547-D710 IonicContact CZ-OD1 2.74Å; R547-D710 VanDerWaalsContact CZ-OD1 3.29Å; R547-D710 IonicContact NH1-OD1 3.09Å; R547-D710 PolarHBondContact NH1-OD1 2.99Å; R547-D710 VanDerWaalsContact NH1-OD1 3.14Å; R547-D710 IonicContact NH2-OD1 2.82Å; R547-D710 PolarHBondContact NH2-OD1 3.49Å
548	E	97.7	Very high	97.2	Very high	63 Å²	63	37.4 Å²	37.4	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-41.9	178.1	-70.1	165.5	126.7	0	0	111.4	L544 S545 L546 L550 Q551 I552 N584	L544-E548 HydrophobicContact CB-CB 4.4Å; L544-E548 HydrophobicContact CD2-CB 4.09Å; S545-E548 WeakPolarHBondContact CB-OE2 3.34Å; S545-E548 PolarHBondContact N-OE2 2.9Å; S545-E548 PolarHBondContact O-N 3.48Å; S545-E548 VanDerWaalsContact OG-CD 3.3Å; S545-E548 VanDerWaalsContact OG-CG 3.25Å; S545-E548 WeakPolarHBondContact OG-CG 3.44Å; S545-E548 PolarHBondContact OG-N 3.31Å; S545-E548 PolarHBondContact OG-OE2 3.46Å; L546-E548 PolarHBondContact O-N 3.23Å; E548-L550 PolarHBondContact O-N 2.94Å; E548-Q551 PolarHBondContact O-N 3.43Å; E548-I552 WeakPolarHBondContact O-CB 3.48Å; E548-I552 WeakPolarHBondContact O-CD1 3.43Å; E548-I552 WeakPolarHBondContact O-CG1 3.48Å; E548-I552 PolarHBondContact O-N 2.89Å; E548-N584 PolarHBondContact OE1-ND2 2.89Å
549	R	97.9	Very high	97.3	Very high	33 Å²	33	34.3 Å²	34.3	13%	0.125	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-40.9	178.3	-68.8	-179.4	-62.5	144.1	-8.8	112.5	L540 L544 S545 L546 R547 I552 A553 L636 C637	L540-R549 HydrophobicContact CD2-CG 3.91Å; L544-R549 HydrophobicContact CB-CG 3.75Å; L544-R549 PolarHBondContact O-NE 3.01Å; S545-R549 VanDerWaalsContact O-CG 3.3Å; S545-R549 WeakPolarHBondContact O-CG 3.41Å; S545-R549 PolarHBondContact O-N 3.44Å; S545-R549 PolarHBondContact O-NE 3.07Å; L546-R549 PolarHBondContact O-N 3.24Å; R547-R549 VanDerWaalsContact C-N 3.33Å; R547-R549 PolarHBondContact O-N 3.12Å; R549-I552 PolarHBondContact O-N 3.21Å; R549-A553 PolarHBondContact O-N 3.24Å; R549-L636 HydrophobicContact CB-CB 4.46Å; R549-L636 HydrophobicContact CB-CD2 4.22Å; R549-L636 WeakPolarHBondContact CD-O 3.5Å; R549-L636 HydrophobicContact CG-CD2 4.41Å; R549-L636 PolarHBondContact NH1-O 2.69Å; R549-C637 PolarHBondContact NH1-O 3.25Å
550	L	97.8	Very high	97.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-70.1	-38	175.6	-66.2	178.8	0	0	0	112	L546 R547 E548 I552 A553 L554 F633 L701 I704 M705 L708	L546-L550 HydrophobicContact CD1-CD1 4.18Å; L546-L550 HydrophobicContact CD1-CG 4.12Å; L546-L550 HydrophobicContact CG-CD1 4.08Å; L546-L550 HydrophobicContact CG-CG 4.39Å; L546-L550 WeakPolarHBondContact O-CG 3.21Å; L546-L550 PolarHBondContact O-N 2.88Å; R547-L550 PolarHBondContact O-N 2.92Å; E548-L550 PolarHBondContact O-N 2.94Å; L550-I552 VanDerWaalsContact C-N 3.35Å; L550-A553 WeakPolarHBondContact O-CB 3.31Å; L550-A553 PolarHBondContact O-N 3.27Å; L550-L554 PolarHBondContact O-N 3.49Å; L550-F633 HydrophobicContact CD2-CE2 3.92Å; L550-F633 HydrophobicContact CD2-CZ 4.26Å; L550-L701 HydrophobicContact CD2-CD1 4.09Å; L550-I704 HydrophobicContact CD1-CG2 4.48Å; L550-M705 HydrophobicContact CB-CB 4.19Å; L550-M705 HydrophobicContact CB-CG 3.92Å; L550-M705 HydrophobicContact CB-SD 4.06Å; L550-M705 HydrophobicContact CD1-CB 4.14Å; L550-M705 HydrophobicContact CD1-CG 4.19Å; L550-L708 HydrophobicContact CD1-CB 4.49Å; L550-L708 HydrophobicContact CD1-CD1 4.25Å
551	Q	98.3	Very high	97.3	Very high	46 Å²	46	38.9 Å²	38.9	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-41.8	173.3	-175.5	59.3	69.9	0	0	111.7	R547 E548 A553 L554 D555 R585 M705	R547-Q551 WeakPolarHBondContact O-CB 3.29Å; R547-Q551 PolarHBondContact O-N 2.94Å; E548-Q551 PolarHBondContact O-N 3.43Å; Q551-A553 VanDerWaalsContact C-N 3.32Å; Q551-A553 PolarHBondContact O-N 2.88Å; Q551-L554 WeakPolarHBondContact O-CB 2.96Å; Q551-L554 PolarHBondContact O-N 3.42Å; Q551-D555 PolarHBondContact NE2-OD1 3.27Å; Q551-D555 VanDerWaalsContact O-CG 3.25Å; Q551-D555 PolarHBondContact O-N 3.21Å; Q551-R585 VanDerWaalsContact NE2-CZ 3.32Å; Q551-R585 VanDerWaalsContact NE2-NH2 3.11Å; Q551-M705 HydrophobicContact CB-SD 4.43Å
552	I	98.6	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-40.8	174.6	-72	161.4	0	0	0	110.9	L536 L544 E548 R549 L550 L554 D555 V556 V578 L580 N584 A586 L636	L536-I552 HydrophobicContact CD1-CD1 3.99Å; L536-I552 HydrophobicContact CD1-CG2 3.94Å; L536-I552 HydrophobicContact CD2-CG2 3.95Å; L544-I552 HydrophobicContact CD1-CD1 3.7Å; L544-I552 HydrophobicContact CD2-CD1 4.49Å; E548-I552 WeakPolarHBondContact O-CB 3.48Å; E548-I552 WeakPolarHBondContact O-CD1 3.43Å; E548-I552 WeakPolarHBondContact O-CG1 3.48Å; E548-I552 PolarHBondContact O-N 2.89Å; R549-I552 PolarHBondContact O-N 3.21Å; L550-I552 VanDerWaalsContact C-N 3.35Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.4Å; I552-D555 PolarHBondContact O-N 3.48Å; I552-V556 HydrophobicContact CG2-CG2 4.49Å; I552-V556 VanDerWaalsContact O-CG2 3.31Å; I552-V556 WeakPolarHBondContact O-CG2 3.45Å; I552-V556 PolarHBondContact O-N 3.46Å; I552-V578 HydrophobicContact CG2-CG1 4.42Å; I552-L580 HydrophobicContact CD1-CD1 4Å; I552-L580 HydrophobicContact CD1-CD2 3.72Å; I552-L580 HydrophobicContact CG1-CD2 3.8Å; I552-L580 HydrophobicContact CG2-CD2 4.35Å; I552-N584 VanDerWaalsContact CG1-O 3.28Å; I552-N584 WeakPolarHBondContact CG1-O 3.36Å; I552-A586 HydrophobicContact CB-CB 4.35Å; I552-A586 HydrophobicContact CG1-CB 4.32Å; I552-A586 HydrophobicContact CG2-CB 3.91Å; I552-L636 HydrophobicContact CB-CD2 4.47Å; I552-L636 HydrophobicContact CG2-CD1 4.3Å; I552-L636 HydrophobicContact CG2-CD2 4Å
553	A	98.4	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-42.2	175.1	0	0	0	0	0	111.4	R549 L550 Q551 V556 V557 F629 F633 L636 L701	R549-A553 PolarHBondContact O-N 3.24Å; L550-A553 WeakPolarHBondContact O-CB 3.31Å; L550-A553 PolarHBondContact O-N 3.27Å; Q551-A553 VanDerWaalsContact C-N 3.32Å; Q551-A553 PolarHBondContact O-N 2.88Å; A553-V556 PolarHBondContact O-N 3.39Å; A553-V557 WeakPolarHBondContact O-CG2 3.41Å; A553-V557 PolarHBondContact O-N 3.24Å; A553-F629 HydrophobicContact CB-CE2 4.34Å; A553-F629 HydrophobicContact CB-CZ 4.38Å; A553-F633 HydrophobicContact CB-CD2 3.87Å; A553-F633 HydrophobicContact CB-CE2 4.02Å; A553-L636 HydrophobicContact CB-CD1 3.66Å; A553-L701 HydrophobicContact CB-CD1 4.32Å; A553-L701 HydrophobicContact CB-CD2 3.48Å; A553-L701 VanDerWaalsContact CB-CD2 3.48Å; A553-L701 HydrophobicContact CB-CG 4.46Å
554	L	98.4	Very high	97.1	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-46.1	176	-75.6	169	0	0	0	112.1	L550 Q551 I552 V556 V557 E558 Q698 L701 Q702 M705	L550-L554 PolarHBondContact O-N 3.49Å; Q551-L554 WeakPolarHBondContact O-CB 2.96Å; Q551-L554 PolarHBondContact O-N 3.42Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.4Å; L554-V556 VanDerWaalsContact C-N 3.28Å; L554-V556 PolarHBondContact O-N 2.87Å; L554-V557 PolarHBondContact O-N 3.02Å; L554-E558 WeakPolarHBondContact O-CB 3.48Å; L554-E558 PolarHBondContact O-N 3.34Å; L554-Q698 HydrophobicContact CD2-CG 4.2Å; L554-L701 HydrophobicContact CB-CD2 4.36Å; L554-L701 HydrophobicContact CD2-CB 3.85Å; L554-L701 HydrophobicContact CD2-CD2 3.69Å; L554-L701 HydrophobicContact CD2-CG 3.78Å; L554-L701 HydrophobicContact CG-CD2 3.7Å; L554-L701 HydrophobicContact CG-CG 3.9Å; L554-Q702 HydrophobicContact CD1-CG 4.1Å; L554-Q702 HydrophobicContact CD2-CG 3.55Å; L554-M705 HydrophobicContact CD1-CE 3.45Å; L554-M705 VanDerWaalsContact CD1-CE 3.45Å; L554-M705 HydrophobicContact CD1-SD 3.73Å
555	D	98.6	Very high	96.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-40.7	178.3	-73.5	4.1	0	0	0	111.6	R504 Q551 I552 G559 R585 A586	R504-D555 WeakPolarHBondContact CB-O 3.4Å; R504-D555 WeakPolarHBondContact CG-O 3.46Å; R504-D555 IonicContact CZ-OD1 3.39Å; R504-D555 IonicContact NE-OD1 3.85Å; R504-D555 PolarHBondContact NE-OD1 3.04Å; Q551-D555 PolarHBondContact NE2-OD1 3.27Å; Q551-D555 VanDerWaalsContact O-CG 3.25Å; Q551-D555 PolarHBondContact O-N 3.21Å; I552-D555 PolarHBondContact O-N 3.48Å; D555-G559 PolarHBondContact O-N 3.46Å; D555-R585 IonicContact OD1-CZ 3.26Å; D555-R585 VanDerWaalsContact OD1-CZ 3.31Å; D555-R585 IonicContact OD1-NE 2.74Å; D555-R585 PolarHBondContact OD1-NE 3.21Å; D555-R585 IonicContact OD1-NH2 3.73Å; D555-R585 PolarHBondContact OD1-NH2 3.01Å; D555-R585 WeakPolarHBondContact OD2-CA 3.14Å; D555-R585 IonicContact OD2-CZ 2.6Å; D555-R585 IonicContact OD2-NE 3.86Å; D555-R585 PolarHBondContact OD2-NE 3.28Å; D555-R585 IonicContact OD2-NH2 3.33Å; D555-A586 HydrophobicContact CB-CB 3.6Å; D555-A586 PolarHBondContact OD2-N 3.35Å
556	V	98.6	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-46	175.8	172.5	0	0	0	0	111	I552 A553 L554 E558 G559 I560 I573 V578 A586 I588 F629 L632	I552-V556 HydrophobicContact CG2-CG2 4.49Å; I552-V556 VanDerWaalsContact O-CG2 3.31Å; I552-V556 WeakPolarHBondContact O-CG2 3.45Å; I552-V556 PolarHBondContact O-N 3.46Å; A553-V556 PolarHBondContact O-N 3.39Å; L554-V556 VanDerWaalsContact C-N 3.28Å; L554-V556 PolarHBondContact O-N 2.87Å; V556-E558 VanDerWaalsContact C-N 3.3Å; V556-E558 PolarHBondContact O-N 3.46Å; V556-G559 PolarHBondContact O-N 3.39Å; V556-I560 HydrophobicContact CG1-CD1 3.72Å; V556-I560 HydrophobicContact CG1-CG1 4.23Å; V556-I560 WeakPolarHBondContact O-CG1 3.39Å; V556-I560 PolarHBondContact O-N 3.23Å; V556-I573 HydrophobicContact CG1-CG2 4.43Å; V556-V578 HydrophobicContact CG2-CG1 3.81Å; V556-V578 HydrophobicContact CG2-CG2 3.84Å; V556-A586 HydrophobicContact CG2-CB 4.33Å; V556-I588 HydrophobicContact CG1-CD1 4.33Å; V556-F629 HydrophobicContact CG1-CD2 4.01Å; V556-F629 HydrophobicContact CG1-CE2 4.46Å; V556-L632 HydrophobicContact CB-CD2 4.41Å; V556-L632 HydrophobicContact CG1-CD2 3.83Å; V556-L632 HydrophobicContact CG2-CD2 4.15Å
557	V	98.3	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-44.3	177.4	172.6	0	0	0	0	110.8	A553 L554 G559 I560 R561 F629 L694 V697 Q698 L701	A553-V557 WeakPolarHBondContact O-CG2 3.41Å; A553-V557 PolarHBondContact O-N 3.24Å; L554-V557 PolarHBondContact O-N 3.02Å; V557-G559 PolarHBondContact O-N 2.95Å; V557-I560 PolarHBondContact O-N 2.89Å; V557-R561 HydrophobicContact CG1-CG 4.29Å; V557-R561 WeakPolarHBondContact O-CB 3.36Å; V557-R561 VanDerWaalsContact O-CG 3.25Å; V557-R561 WeakPolarHBondContact O-CG 3.37Å; V557-R561 PolarHBondContact O-N 3.29Å; V557-F629 HydrophobicContact CG2-CD1 4.34Å; V557-F629 HydrophobicContact CG2-CD2 3.93Å; V557-F629 HydrophobicContact CG2-CE1 3.85Å; V557-F629 HydrophobicContact CG2-CE2 3.38Å; V557-F629 HydrophobicContact CG2-CG 4.38Å; V557-F629 HydrophobicContact CG2-CZ 3.33Å; V557-L694 HydrophobicContact CG1-CB 4.21Å; V557-L694 HydrophobicContact CG1-CD2 4.1Å; V557-L694 HydrophobicContact CG2-CD2 4.48Å; V557-V697 HydrophobicContact CG2-CG1 3.96Å; V557-Q698 HydrophobicContact CG1-CB 3.74Å; V557-L701 HydrophobicContact CG2-CD2 4.49Å
558	E	98.2	Very high	95.4	Very high	55 Å²	55	28.4 Å²	28.4	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-59.4	-44.6	176.4	-174.7	-168.4	170.4	0	0	111.4	H502 R504 L554 V556 R561 F562	H502-E558 IonicContact CE1-OE1 3.04Å; R504-E558 HydrophobicContact CG-CB 4.03Å; R504-E558 HydrophobicContact CG-CG 3.93Å; R504-E558 WeakPolarHBondContact CG-OE2 3.26Å; R504-E558 IonicContact CZ-OE2 2.65Å; R504-E558 IonicContact NE-OE1 3.36Å; R504-E558 IonicContact NE-OE2 3.6Å; R504-E558 PolarHBondContact NE-OE2 3.13Å; R504-E558 IonicContact NH2-OE2 2.79Å; L554-E558 WeakPolarHBondContact O-CB 3.48Å; L554-E558 PolarHBondContact O-N 3.34Å; V556-E558 VanDerWaalsContact C-N 3.3Å; V556-E558 PolarHBondContact O-N 3.46Å; E558-R561 PolarHBondContact O-N 2.81Å; E558-F562 PolarHBondContact O-N 2.9Å
559	G	97.7	Very high	95.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-43.5	175.7	0	0	0	0	0	114	D555 V556 V557 F562 L563	D555-G559 PolarHBondContact O-N 3.46Å; V556-G559 PolarHBondContact O-N 3.39Å; V557-G559 PolarHBondContact O-N 2.95Å; G559-F562 PolarHBondContact O-N 2.83Å; G559-L563 PolarHBondContact O-N 3Å; G559-L563 VanDerWaalsContact O-N 3.07Å
560	I	97.8	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-43.1	177.8	-60.1	168	0	0	0	110.2	V556 V557 F562 L563 H564 I573 I588 D625 F629 L694	V556-I560 HydrophobicContact CG1-CD1 3.72Å; V556-I560 HydrophobicContact CG1-CG1 4.23Å; V556-I560 WeakPolarHBondContact O-CG1 3.39Å; V556-I560 PolarHBondContact O-N 3.23Å; V557-I560 PolarHBondContact O-N 2.89Å; I560-F562 VanDerWaalsContact C-N 3.29Å; I560-F562 PolarHBondContact O-N 3.08Å; I560-L563 PolarHBondContact O-N 3.23Å; I560-H564 WeakPolarHBondContact CG2-NE2 3.25Å; I560-H564 PolarHBondContact O-CD2 2.83Å; I560-H564 PolarHBondContact O-N 3.33Å; I560-I573 HydrophobicContact CD1-CD1 4.1Å; I560-I573 HydrophobicContact CD1-CG1 4.01Å; I560-I573 HydrophobicContact CD1-CG2 4.29Å; I560-I573 HydrophobicContact CG1-CD1 3.93Å; I560-I573 HydrophobicContact CG1-CG1 4.3Å; I560-I588 HydrophobicContact CG1-CD1 3.74Å; I560-D625 HydrophobicContact CG2-CB 3.8Å; I560-F629 HydrophobicContact CD1-CB 4.15Å; I560-L694 HydrophobicContact CB-CD1 3.83Å; I560-L694 HydrophobicContact CG2-CD1 3.31Å
561	R	96.4	Very high	94.5	Very high	102 Å²	102	24.4 Å²	24.4	39%	0.385	13%	0.129	S	C	.	.	H	α-helix	trans	-56.9	-44.5	175.7	-77.4	-177.3	69.4	166.3	5.8	111.9	V557 E558 H564 S565 L694 Q698	V557-R561 HydrophobicContact CG1-CG 4.29Å; V557-R561 WeakPolarHBondContact O-CB 3.36Å; V557-R561 VanDerWaalsContact O-CG 3.25Å; V557-R561 WeakPolarHBondContact O-CG 3.37Å; V557-R561 PolarHBondContact O-N 3.29Å; E558-R561 PolarHBondContact O-N 2.81Å; R561-H564 PolarHBondContact O-N 3.35Å; R561-S565 WeakPolarHBondContact O-CB 3.45Å; R561-S565 PolarHBondContact O-N 2.84Å; R561-L694 HydrophobicContact CG-CB 3.39Å; R561-L694 HydrophobicContact CG-CD1 4.09Å; R561-L694 HydrophobicContact CG-CG 4.36Å; R561-Q698 VanDerWaalsContact CD-OE1 3.32Å
562	F	95.6	Very high	94.2	Very high	30 Å²	30	22.3 Å²	22.3	13%	0.132	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-48.5	176.7	175.6	-99.8	0	0	0	110.9	L499 P500 H502 L505 E558 G559 I560 H564 S565 Q566	L499-F562 HydrophobicContact CD2-CE1 4.26Å; P500-F562 HydrophobicContact CB-CZ 4.01Å; P500-F562 HydrophobicContact CG-CZ 4.18Å; P500-F562 WeakPolarHBondContact O-CZ 3.33Å; H502-F562 HydrophobicContact CB-CD1 3.73Å; H502-F562 HydrophobicContact CB-CD2 4.43Å; H502-F562 HydrophobicContact CB-CE1 3.63Å; H502-F562 HydrophobicContact CB-CE2 4.34Å; H502-F562 HydrophobicContact CB-CG 4.13Å; H502-F562 HydrophobicContact CB-CZ 3.95Å; H502-F562 AromaticContact CD2-CD1 3.93Å; H502-F562 AromaticContact CD2-CD2 3.36Å; H502-F562 WeakPolarHBondContact CD2-CD2 3.31Å; H502-F562 AromaticContact CD2-CE2 3.85Å; H502-F562 AromaticContact CD2-CG 3.39Å; H502-F562 WeakPolarHBondContact CD2-CG 3.25Å; H502-F562 AromaticContact CG-CD1 3.65Å; H502-F562 AromaticContact CG-CD2 3.95Å; H502-F562 AromaticContact CG-CG 3.59Å; H502-F562 AromaticContact NE2-CD2 3.91Å; H502-F562 AromaticContact NE2-CG 3.77Å; L505-F562 HydrophobicContact CD1-CD1 3.53Å; L505-F562 HydrophobicContact CD1-CE1 3.67Å; L505-F562 HydrophobicContact CG-CD1 4.2Å; E558-F562 PolarHBondContact O-N 2.9Å; G559-F562 PolarHBondContact O-N 2.83Å; I560-F562 VanDerWaalsContact C-N 3.29Å; I560-F562 PolarHBondContact O-N 3.08Å; F562-H564 PolarHBondContact O-N 3.32Å; F562-S565 WeakPolarHBondContact O-CB 3.47Å; F562-S565 PolarHBondContact O-N 3Å; F562-S565 VanDerWaalsContact O-N 3.14Å; F562-S565 PolarHBondContact O-OG 3.05Å; F562-Q566 HydrophobicContact CE1-CG 4.22Å; F562-Q566 HydrophobicContact CE2-CG 4.33Å; F562-Q566 HydrophobicContact CZ-CG 4.05Å; F562-Q566 WeakPolarHBondContact O-CG 3.31Å; F562-Q566 PolarHBondContact O-N 3.43Å
563	L	93.1	Very high	94.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.6	-47	176.1	-74.8	171.6	0	0	0	112.5	L499 L505 G559 I560 S565 Q566 G567 L568 H570 L591	L499-L563 HydrophobicContact CD1-CD2 3.7Å; L499-L563 HydrophobicContact CD2-CD2 4.45Å; L505-L563 HydrophobicContact CD1-CD2 3.65Å; L505-L563 HydrophobicContact CD1-CG 3.98Å; L505-L563 HydrophobicContact CD2-CD1 3.9Å; L505-L563 HydrophobicContact CD2-CD2 4.31Å; L505-L563 HydrophobicContact CD2-CG 3.95Å; G559-L563 PolarHBondContact O-N 3Å; G559-L563 VanDerWaalsContact O-N 3.07Å; I560-L563 PolarHBondContact O-N 3.23Å; L563-S565 VanDerWaalsContact C-N 3.29Å; L563-S565 PolarHBondContact O-N 3.24Å; L563-Q566 CarbonylContact O-C 3.55Å; L563-Q566 WeakPolarHBondContact O-CA 3.27Å; L563-Q566 PolarHBondContact O-N 3.43Å; L563-G567 PolarHBondContact O-N 3.42Å; L563-L568 CarbonylContact C-O 3.49Å; L563-L568 VanDerWaalsContact C-O 3.3Å; L563-L568 PolarHBondContact O-N 3.26Å; L563-L568 VanDerWaalsContact O-N 3.07Å; L563-H570 HydrophobicContact CD1-CB 4.24Å; L563-L591 HydrophobicContact CD1-CD2 4.24Å; L563-L591 HydrophobicContact CD2-CD1 4.49Å
564	H	92.5	Very high	93.9	Very high	33 Å²	33	23.8 Å²	23.8	15%	0.153	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-36.4	178.5	-70.7	-172.5	0	0	0	111.9	I560 R561 F562 Q566 G567 L568 N622 D625	I560-H564 WeakPolarHBondContact CG2-NE2 3.25Å; I560-H564 PolarHBondContact O-CD2 2.83Å; I560-H564 PolarHBondContact O-N 3.33Å; R561-H564 PolarHBondContact O-N 3.35Å; F562-H564 PolarHBondContact O-N 3.32Å; H564-Q566 PolarHBondContact O-N 3.46Å; H564-G567 WeakPolarHBondContact O-CA 3.26Å; H564-G567 PolarHBondContact O-N 3.13Å; H564-L568 PolarHBondContact CD2-O 2.93Å; H564-L568 PolarHBondContact N-O 3.45Å; H564-N622 PolarHBondContact CE1-O 3.11Å; H564-D625 IonicContact CD2-OD2 3.59Å; H564-D625 IonicContact CE1-OD2 2.58Å; H564-D625 IonicContact NE2-OD2 2.97Å; H564-D625 PolarHBondContact NE2-OD2 3Å
565	S	89.9	Confident	93.8	Very high	81 Å²	81	23.9 Å²	23.9	57%	0.566	13%	0.126	S	C	*	.	H	α-helix	trans	-64.6	-25.3	174.8	80.8	0	0	0	0	113.3	R561 F562 L563 G567	R561-S565 WeakPolarHBondContact O-CB 3.45Å; R561-S565 PolarHBondContact O-N 2.84Å; F562-S565 WeakPolarHBondContact O-CB 3.47Å; F562-S565 PolarHBondContact O-N 3Å; F562-S565 VanDerWaalsContact O-N 3.14Å; F562-S565 PolarHBondContact O-OG 3.05Å; L563-S565 VanDerWaalsContact C-N 3.29Å; L563-S565 PolarHBondContact O-N 3.24Å; S565-G567 VanDerWaalsContact C-N 3.28Å
566	Q	87.6	Confident	93.5	Very high	91 Å²	91	30 Å²	30	43%	0.425	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.4	173.6	-55.2	-55.8	-65.8	0	0	112.1	L499 F562 L563 H564 L568	L499-Q566 HydrophobicContact CD2-CB 3.72Å; L499-Q566 HydrophobicContact CD2-CG 3.65Å; F562-Q566 HydrophobicContact CE1-CG 4.22Å; F562-Q566 HydrophobicContact CE2-CG 4.33Å; F562-Q566 HydrophobicContact CZ-CG 4.05Å; F562-Q566 WeakPolarHBondContact O-CG 3.31Å; F562-Q566 PolarHBondContact O-N 3.43Å; L563-Q566 CarbonylContact O-C 3.55Å; L563-Q566 WeakPolarHBondContact O-CA 3.27Å; L563-Q566 PolarHBondContact O-N 3.43Å; H564-Q566 PolarHBondContact O-N 3.46Å; Q566-L568 VanDerWaalsContact C-N 3.29Å; Q566-L568 PolarHBondContact O-N 2.93Å
567	G	84.1	Confident	93.3	Very high	41 Å²	41	30.4 Å²	30.4	42%	0.423	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	12.1	179.8	0	0	0	0	0	114.9	L563 H564 S565 P596 E597	L563-G567 PolarHBondContact O-N 3.42Å; H564-G567 WeakPolarHBondContact O-CA 3.26Å; H564-G567 PolarHBondContact O-N 3.13Å; S565-G567 VanDerWaalsContact C-N 3.28Å; G567-P596 VanDerWaalsContact O-CA 3.26Å; G567-P596 WeakPolarHBondContact O-CA 3.21Å; G567-E597 PolarHBondContact O-N 2.95Å
568	L	88.3	Confident	93.3	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.5	-179.2	-63.6	-179.2	0	0	0	111.7	Y495 L499 L563 H564 Q566 P596	Y495-L568 HydrophobicContact CD1-CD2 4.18Å; Y495-L568 HydrophobicContact CG-CD2 4.27Å; L499-L568 HydrophobicContact CD1-CD1 4.02Å; L499-L568 HydrophobicContact CD2-CD1 3.84Å; L499-L568 HydrophobicContact CG-CD1 4.06Å; L563-L568 CarbonylContact C-O 3.49Å; L563-L568 VanDerWaalsContact C-O 3.3Å; L563-L568 PolarHBondContact O-N 3.26Å; L563-L568 VanDerWaalsContact O-N 3.07Å; H564-L568 PolarHBondContact CD2-O 2.93Å; H564-L568 PolarHBondContact N-O 3.45Å; Q566-L568 VanDerWaalsContact C-N 3.29Å; Q566-L568 PolarHBondContact O-N 2.93Å; L568-P596 HydrophobicContact CD2-CB 4.28Å; L568-P596 HydrophobicContact CD2-CG 3.71Å
569	V	91.3	Very high	93.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.9	174.5	-172.9	0	0	0	0	109.1	R571 C594 K595 E597 M600 N622 V624 D625	V569-R571 HydrophobicContact CB-CG 4.22Å; V569-R571 HydrophobicContact CG1-CG 3.69Å; V569-C594 VanDerWaalsContact O-CA 3.26Å; V569-C594 WeakPolarHBondContact O-CA 3.19Å; V569-K595 PolarHBondContact N-O 2.85Å; V569-K595 PolarHBondContact O-N 3.3Å; V569-E597 HydrophobicContact CG2-CB 4.27Å; V569-M600 HydrophobicContact CB-CE 4.24Å; V569-M600 HydrophobicContact CB-SD 3.55Å; V569-M600 VanDerWaalsContact CB-SD 3.55Å; V569-M600 HydrophobicContact CG1-SD 4.03Å; V569-M600 HydrophobicContact CG2-CE 3.76Å; V569-M600 HydrophobicContact CG2-SD 3.68Å; V569-N622 HydrophobicContact CG2-CB 3.75Å; V569-V624 HydrophobicContact CG1-CG2 3.65Å; V569-D625 VanDerWaalsContact CG1-OD2 3.28Å; V569-D625 WeakPolarHBondContact CG1-OD2 3.5Å
570	H	92.3	Very high	93.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.			trans	-75.2	-46.5	-173.2	-172.6	-52	0	0	0	113.8	L563 D572 I573 I588 T589 D590 F593 D625	L563-H570 HydrophobicContact CD1-CB 4.24Å; H570-D572 PolarHBondContact ND1-N 3.03Å; H570-D572 PolarHBondContact O-N 3.37Å; H570-I573 HydrophobicContact CB-CD1 3.8Å; H570-I573 HydrophobicContact CB-CG1 4.09Å; H570-I573 VanDerWaalsContact CD2-CD1 3.5Å; H570-I573 WeakPolarHBondContact CD2-CD1 3.15Å; H570-I573 VanDerWaalsContact CG-CD1 3.49Å; H570-I588 WeakPolarHBondContact CD2-CG2 3.31Å; H570-I588 VanDerWaalsContact NE2-CG2 3.27Å; H570-I588 WeakPolarHBondContact NE2-CG2 3.33Å; H570-T589 PolarHBondContact NE2-O 3.17Å; H570-T589 VanDerWaalsContact NE2-O 3.09Å; H570-D590 PolarHBondContact CE1-O 3.04Å; H570-F593 CarbonylContact O-C 3.59Å; H570-F593 VanDerWaalsContact O-C 3.29Å; H570-F593 VanDerWaalsContact O-CB 3.31Å; H570-F593 WeakPolarHBondContact O-CB 3.26Å; H570-D625 PolarHBondContact N-OD1 2.98Å; H570-D625 PolarHBondContact N-OD2 3.16Å
571	R	90.9	Very high	93.2	Very high	12 Å²	12	31.7 Å²	31.7	5%	0.045	16%	0.163	C	C	.	.	S	Bend	trans	65.7	8.2	176.4	-50.1	-175.9	-67.7	168.6	4.1	117.1	V569 F593 K595 M600 S603 V605 G606 Y620 V624 D625	V569-R571 HydrophobicContact CB-CG 4.22Å; V569-R571 HydrophobicContact CG1-CG 3.69Å; R571-F593 HydrophobicContact CB-CB 4.27Å; R571-F593 PolarHBondContact NE-O 3.04Å; R571-F593 PolarHBondContact NH2-O 2.88Å; R571-K595 VanDerWaalsContact NH2-CG 3.34Å; R571-M600 HydrophobicContact CG-SD 4.36Å; R571-S603 PolarHBondContact NH1-OG 2.79Å; R571-V605 HydrophobicContact CB-CG2 4.16Å; R571-G606 WeakPolarHBondContact O-CA 3.2Å; R571-Y620 HydrophobicContact CG-CE2 4.46Å; R571-Y620 PolarHBondContact NH1-OH 3.27Å; R571-V624 HydrophobicContact CG-CG2 4.26Å; R571-D625 PolarHBondContact N-OD1 3.16Å
572	D	92.3	Very high	93.1	Very high	2 Å²	2	35 Å²	35	1%	0.011	18%	0.181	C	C	.	.			trans	-152	41.2	176.7	-162.9	37.7	0	0	0	111.9	H570 K574 N577 F593 T607	H570-D572 PolarHBondContact ND1-N 3.03Å; H570-D572 PolarHBondContact O-N 3.37Å; D572-K574 VanDerWaalsContact CG-NZ 3.35Å; D572-K574 PolarHBondContact O-N 2.8Å; D572-K574 IonicContact OD1-NZ 2.76Å; D572-K574 PolarHBondContact OD1-NZ 3.15Å; D572-K574 WeakPolarHBondContact OD2-CE 3.31Å; D572-K574 IonicContact OD2-NZ 3.82Å; D572-K574 PolarHBondContact OD2-NZ 2.74Å; D572-N577 PolarHBondContact O-ND2 3.45Å; D572-N577 PolarHBondContact OD2-ND2 2.91Å; D572-F593 HydrophobicContact CB-CB 4.35Å; D572-F593 HydrophobicContact CB-CD2 3.45Å; D572-F593 VanDerWaalsContact CB-CD2 3.45Å; D572-F593 HydrophobicContact CB-CE2 4.13Å; D572-F593 HydrophobicContact CB-CG 4.32Å; D572-T607 PolarHBondContact OD1-N 2.99Å; D572-T607 PolarHBondContact OD1-OG1 2.8Å
573	I	96.4	Very high	93.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.205	C	C	.	.			trans	-65.1	119.2	171.6	-60.7	-62.5	0	0	0	108.8	V556 I560 H570 I588 H610 A628 L632	V556-I573 HydrophobicContact CG1-CG2 4.43Å; I560-I573 HydrophobicContact CD1-CD1 4.1Å; I560-I573 HydrophobicContact CD1-CG1 4.01Å; I560-I573 HydrophobicContact CD1-CG2 4.29Å; I560-I573 HydrophobicContact CG1-CD1 3.93Å; I560-I573 HydrophobicContact CG1-CG1 4.3Å; H570-I573 HydrophobicContact CB-CD1 3.8Å; H570-I573 HydrophobicContact CB-CG1 4.09Å; H570-I573 VanDerWaalsContact CD2-CD1 3.5Å; H570-I573 WeakPolarHBondContact CD2-CD1 3.15Å; H570-I573 VanDerWaalsContact CG-CD1 3.49Å; I573-I588 HydrophobicContact CD1-CD1 4.2Å; I573-I588 HydrophobicContact CD1-CG2 4Å; I573-H610 PolarHBondContact O-CD2 2.74Å; I573-A628 HydrophobicContact CB-CB 3.87Å; I573-L632 HydrophobicContact CG2-CD2 3.96Å
574	K	94.3	Very high	93.3	Very high	30 Å²	30	41 Å²	41	13%	0.13	21%	0.21	C	C	.	.	S	Bend	trans	-163.3	167	-179.1	69.5	-164.4	-176.7	-157.9	0	111.5	D572 K576 N577 V578 T607	D572-K574 VanDerWaalsContact CG-NZ 3.35Å; D572-K574 PolarHBondContact O-N 2.8Å; D572-K574 IonicContact OD1-NZ 2.76Å; D572-K574 PolarHBondContact OD1-NZ 3.15Å; D572-K574 WeakPolarHBondContact OD2-CE 3.31Å; D572-K574 IonicContact OD2-NZ 3.82Å; D572-K574 PolarHBondContact OD2-NZ 2.74Å; K574-K576 HydrophobicContact CG-CB 4.47Å; K574-K576 PolarHBondContact O-N 3.29Å; K574-N577 WeakPolarHBondContact CE-ND2 3.42Å; K574-N577 WeakPolarHBondContact CE-OD1 3.49Å; K574-N577 HydrophobicContact CG-CB 4.1Å; K574-N577 PolarHBondContact O-N 2.77Å; K574-V578 PolarHBondContact O-N 3.47Å; K574-T607 WeakPolarHBondContact CD-OG1 3.35Å; K574-T607 PolarHBondContact NZ-OG1 2.82Å
575	L	95.2	Very high	93.5	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.063	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-52.5	-33.6	-179.3	-62.4	175	0	0	0	115	L536 Y537 L540 L632 Y635 V641	L536-L575 WeakPolarHBondContact CB-O 3.46Å; L536-L575 HydrophobicContact CD2-CD2 3.65Å; L536-L575 HydrophobicContact CG-CD2 3.79Å; L536-L575 PolarHBondContact N-O 2.65Å; Y537-L575 HydrophobicContact CD2-CD1 4.16Å; Y537-L575 PolarHBondContact N-O 2.83Å; L540-L575 HydrophobicContact CD1-CD1 4.3Å; L540-L575 HydrophobicContact CD1-CD2 3.6Å; L575-L632 HydrophobicContact CD2-CD1 3.61Å; L575-L632 HydrophobicContact CG-CD1 4.04Å; L575-Y635 HydrophobicContact CD1-CD1 4Å; L575-Y635 HydrophobicContact CD1-CD2 4.14Å; L575-Y635 HydrophobicContact CD1-CE1 4.4Å; L575-Y635 HydrophobicContact CD1-CG 3.85Å; L575-Y635 HydrophobicContact CD2-CG 4.39Å; L575-Y635 HydrophobicContact CG-CD2 4.35Å; L575-Y635 HydrophobicContact CG-CG 4.35Å; L575-V641 HydrophobicContact CD1-CG1 4.25Å
576	K	92.9	Very high	93.9	Very high	132 Å²	132	39.3 Å²	39.3	57%	0.574	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-81.6	-17.4	-179.6	-68.7	-170.8	174.9	-173.4	0	114	K574	K574-K576 HydrophobicContact CG-CB 4.47Å; K574-K576 PolarHBondContact O-N 3.29Å
577	N	94.9	Very high	94.4	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.043	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-102.4	9.5	-179.9	-66.5	1.8	0	0	0	111.9	D572 K574 T589 D590	D572-N577 PolarHBondContact O-ND2 3.45Å; D572-N577 PolarHBondContact OD2-ND2 2.91Å; K574-N577 WeakPolarHBondContact CE-ND2 3.42Å; K574-N577 WeakPolarHBondContact CE-OD1 3.49Å; K574-N577 HydrophobicContact CG-CB 4.1Å; K574-N577 PolarHBondContact O-N 2.77Å; N577-T589 HydrophobicContact CB-CG2 4.49Å; N577-T589 PolarHBondContact O-N 3.4Å; N577-D590 HydrophobicContact CB-CB 4.48Å
578	V	97.7	Very high	95.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114	169.9	179.8	0	0	0	0	107.4	D535 L536 I552 V556 K574 L580 A586 L632	D535-V578 CarbonylContact C-O 3.29Å; D535-V578 WeakPolarHBondContact CA-O 3.44Å; L536-V578 HydrophobicContact CB-CB 3.92Å; L536-V578 HydrophobicContact CB-CG1 4.05Å; L536-V578 WeakPolarHBondContact CB-O 3.28Å; L536-V578 HydrophobicContact CD2-CB 4.01Å; L536-V578 HydrophobicContact CD2-CG1 3.99Å; L536-V578 HydrophobicContact CD2-CG2 4.46Å; L536-V578 PolarHBondContact N-O 2.82Å; I552-V578 HydrophobicContact CG2-CG1 4.42Å; V556-V578 HydrophobicContact CG2-CG1 3.81Å; V556-V578 HydrophobicContact CG2-CG2 3.84Å; K574-V578 PolarHBondContact O-N 3.47Å; V578-L580 HydrophobicContact CG1-CD2 4.5Å; V578-A586 HydrophobicContact CG1-CB 3.74Å; V578-L632 HydrophobicContact CG2-CD2 4.22Å
579	L	97.1	Very high	95.2	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.188	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.8	178	-56.4	-170.7	0	0	0	110.3	V506 L532 R534 D535 A586 K587 T589	V506-L579 HydrophobicContact CG2-CD1 4.1Å; L532-L579 HydrophobicContact CB-CB 3.82Å; L532-L579 HydrophobicContact CB-CD1 4.39Å; L532-L579 HydrophobicContact CD1-CB 4.02Å; L532-L579 HydrophobicContact CD1-CD1 4.01Å; L532-L579 HydrophobicContact CD2-CB 3.87Å; L532-L579 HydrophobicContact CG-CB 4.11Å; R534-L579 CarbonylContact O-C 3.54Å; D535-L579 HydrophobicContact CB-CD2 3.86Å; L579-A586 CarbonylContact O-C 3.19Å; L579-A586 WeakPolarHBondContact O-CA 3.2Å; L579-K587 PolarHBondContact N-O 2.82Å; L579-K587 PolarHBondContact O-N 2.82Å; L579-T589 HydrophobicContact CD1-CG2 3.89Å; L579-T589 HydrophobicContact CD2-CG2 4.09Å; L579-T589 HydrophobicContact CG-CG2 3.65Å
580	L	98	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133	-176.7	-57.8	-177.7	0	0	0	110.4	L532 H533 R534 L536 L544 I552 V578 R585 A586	L532-L580 WeakPolarHBondContact CB-O 3.18Å; H533-L580 WeakPolarHBondContact CA-O 3.42Å; H533-L580 VanDerWaalsContact CB-O 3.32Å; H533-L580 WeakPolarHBondContact CB-O 3.44Å; H533-L580 PolarHBondContact N-O 3.39Å; R534-L580 HydrophobicContact CG-CB 4.19Å; R534-L580 HydrophobicContact CG-CD1 4.49Å; R534-L580 PolarHBondContact N-O 3.18Å; R534-L580 PolarHBondContact O-N 3.41Å; L536-L580 HydrophobicContact CD1-CD1 4.1Å; L536-L580 HydrophobicContact CD1-CD2 4.48Å; L544-L580 HydrophobicContact CD1-CD1 4.02Å; I552-L580 HydrophobicContact CD1-CD1 4Å; I552-L580 HydrophobicContact CD1-CD2 3.72Å; I552-L580 HydrophobicContact CG1-CD2 3.8Å; I552-L580 HydrophobicContact CG2-CD2 4.35Å; V578-L580 HydrophobicContact CG1-CD2 4.5Å; L580-R585 WeakPolarHBondContact CA-O 3.28Å; L580-A586 HydrophobicContact CD2-CB 3.88Å
581	D	96.1	Very high	94.4	Very high	44 Å²	44	37.2 Å²	37.2	24%	0.235	17%	0.171	C	C	.	.			trans	-76.8	-172.8	171.2	72.5	10.6	0	0	0	111.5	L532 Q583 N584 R585	L532-D581 HydrophobicContact CD2-CB 4.26Å; D581-Q583 PolarHBondContact O-N 3.41Å; D581-Q583 VanDerWaalsContact OD1-C 3.24Å; D581-Q583 VanDerWaalsContact OD1-CA 3.28Å; D581-Q583 WeakPolarHBondContact OD1-CA 3.42Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.29Å; D581-Q583 PolarHBondContact OD1-N 3.32Å; D581-N584 PolarHBondContact O-N 2.9Å; D581-N584 PolarHBondContact OD1-N 3.04Å; D581-R585 PolarHBondContact N-O 2.75Å; D581-R585 PolarHBondContact OD1-N 2.89Å; D581-R585 WeakPolarHBondContact OD2-CB 3.25Å
582	K	95	Very high	93.4	Very high	172 Å²	172	37.8 Å²	37.8	75%	0.748	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	-179.6	-66.9	-178.7	-179.8	177.3	0	112.9	H533	H533-K582 HydrophobicContact CB-CG 4.33Å
583	Q	96	Very high	92.4	Very high	138 Å²	138	38.9 Å²	38.9	65%	0.645	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	9.6	178.3	-67.9	72.6	26.6	0	0	111.6	D581 R585	D581-Q583 PolarHBondContact O-N 3.41Å; D581-Q583 VanDerWaalsContact OD1-C 3.24Å; D581-Q583 VanDerWaalsContact OD1-CA 3.28Å; D581-Q583 WeakPolarHBondContact OD1-CA 3.42Å; D581-Q583 WeakPolarHBondContact OD1-CB 3.29Å; D581-Q583 PolarHBondContact OD1-N 3.32Å; Q583-R585 HydrophobicContact CB-CG 4.31Å; Q583-R585 PolarHBondContact O-N 3.21Å
584	N	96.2	Very high	91.7	Very high	19 Å²	19	39 Å²	39	10%	0.102	19%	0.186	C	C	.	.			trans	57.2	28	-174.7	-63.5	-45	0	0	0	113.8	R534 L544 E548 I552 D581	R534-N584 PolarHBondContact NH2-OD1 3.09Å; L544-N584 HydrophobicContact CD2-CB 4.15Å; E548-N584 PolarHBondContact OE1-ND2 2.89Å; I552-N584 VanDerWaalsContact CG1-O 3.28Å; I552-N584 WeakPolarHBondContact CG1-O 3.36Å; D581-N584 PolarHBondContact O-N 2.9Å; D581-N584 PolarHBondContact OD1-N 3.04Å
585	R	97.8	Very high	91	Very high	77 Å²	77	39.7 Å²	39.7	29%	0.291	19%	0.189	S	C	.	.			trans	-81.8	141.2	166.8	-56.9	-56.1	-60.4	-114.7	-9.6	110.1	Q551 D555 L580 D581 Q583	Q551-R585 VanDerWaalsContact NE2-CZ 3.32Å; Q551-R585 VanDerWaalsContact NE2-NH2 3.11Å; D555-R585 IonicContact OD1-CZ 3.26Å; D555-R585 VanDerWaalsContact OD1-CZ 3.31Å; D555-R585 IonicContact OD1-NE 2.74Å; D555-R585 PolarHBondContact OD1-NE 3.21Å; D555-R585 IonicContact OD1-NH2 3.73Å; D555-R585 PolarHBondContact OD1-NH2 3.01Å; D555-R585 WeakPolarHBondContact OD2-CA 3.14Å; D555-R585 IonicContact OD2-CZ 2.6Å; D555-R585 IonicContact OD2-NE 3.86Å; D555-R585 PolarHBondContact OD2-NE 3.28Å; D555-R585 IonicContact OD2-NH2 3.33Å; L580-R585 WeakPolarHBondContact CA-O 3.28Å; D581-R585 PolarHBondContact N-O 2.75Å; D581-R585 PolarHBondContact OD1-N 2.89Å; D581-R585 WeakPolarHBondContact OD2-CB 3.25Å; Q583-R585 HydrophobicContact CB-CG 4.31Å; Q583-R585 PolarHBondContact O-N 3.21Å
586	A	98.3	Very high	90.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.3	-169.6	0	0	0	0	0	112.7	R504 I552 D555 V556 V578 L579 L580	R504-A586 WeakPolarHBondContact CD-O 3.49Å; I552-A586 HydrophobicContact CB-CB 4.35Å; I552-A586 HydrophobicContact CG1-CB 4.32Å; I552-A586 HydrophobicContact CG2-CB 3.91Å; D555-A586 HydrophobicContact CB-CB 3.6Å; D555-A586 PolarHBondContact OD2-N 3.35Å; V556-A586 HydrophobicContact CG2-CB 4.33Å; V578-A586 HydrophobicContact CG1-CB 3.74Å; L579-A586 CarbonylContact O-C 3.19Å; L579-A586 WeakPolarHBondContact O-CA 3.2Å; L580-A586 HydrophobicContact CD2-CB 3.88Å
587	K	98.1	Very high	89.3	Confident	36 Å²	36	37.1 Å²	37.1	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136	168.2	-61.6	-164.6	178.3	-165.8	0	110.3	E503 R504 V506 E530 L532 L579	E503-K587 WeakPolarHBondContact O-CE 3.33Å; E503-K587 WeakPolarHBondContact O-CG 3.31Å; R504-K587 CarbonylContact O-C 3.54Å; R504-K587 WeakPolarHBondContact O-CA 3.46Å; V506-K587 HydrophobicContact CG2-CB 3.84Å; E530-K587 VanDerWaalsContact OE1-CD 3.26Å; E530-K587 WeakPolarHBondContact OE1-CD 3.25Å; E530-K587 IonicContact OE1-NZ 3.98Å; E530-K587 PolarHBondContact OE1-NZ 3.32Å; E530-K587 IonicContact OE2-NZ 3.53Å; E530-K587 PolarHBondContact OE2-NZ 3.35Å; L532-K587 HydrophobicContact CD1-CD 4.34Å; L532-K587 HydrophobicContact CD2-CB 3.9Å; L532-K587 HydrophobicContact CD2-CD 4Å; L532-K587 HydrophobicContact CD2-CG 3.86Å; L579-K587 PolarHBondContact N-O 2.82Å; L579-K587 PolarHBondContact O-N 2.82Å
588	I	97.3	Very high	87.9	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.7	176.5	-55	172.6	0	0	0	109.2	R504 L505 V506 V556 I560 H570 I573	R504-I588 PolarHBondContact O-N 3.44Å; L505-I588 HydrophobicContact CD2-CB 3.85Å; L505-I588 HydrophobicContact CD2-CD1 4.37Å; L505-I588 HydrophobicContact CD2-CG1 4.5Å; V506-I588 WeakPolarHBondContact CG2-O 3.41Å; V506-I588 PolarHBondContact N-O 2.93Å; V556-I588 HydrophobicContact CG1-CD1 4.33Å; I560-I588 HydrophobicContact CG1-CD1 3.74Å; H570-I588 WeakPolarHBondContact CD2-CG2 3.31Å; H570-I588 VanDerWaalsContact NE2-CG2 3.27Å; H570-I588 WeakPolarHBondContact NE2-CG2 3.33Å; I573-I588 HydrophobicContact CD1-CD1 4.2Å; I573-I588 HydrophobicContact CD1-CG2 4Å
589	T	92.2	Very high	86.6	Confident	18 Å²	18	38 Å²	38	11%	0.11	19%	0.186	C	C	.	.			trans	-129.6	178.7	179.3	-160.8	0	0	0	0	111.3	H570 N577 L579	H570-T589 PolarHBondContact NE2-O 3.17Å; H570-T589 VanDerWaalsContact NE2-O 3.09Å; N577-T589 HydrophobicContact CB-CG2 4.49Å; N577-T589 PolarHBondContact O-N 3.4Å; L579-T589 HydrophobicContact CD1-CG2 3.89Å; L579-T589 HydrophobicContact CD2-CG2 4.09Å; L579-T589 HydrophobicContact CG-CG2 3.65Å
590	D	84.7	Confident	85.4	Confident	27 Å²	27	36.3 Å²	36.3	14%	0.144	18%	0.177	C	C	.	.			trans	60.5	61.2	176	-153.5	18.7	0	0	0	113.3	K476 H570 N577 G592	K476-D590 IonicContact NZ-OD1 3.36Å; K476-D590 PolarHBondContact NZ-OD1 3.29Å; H570-D590 PolarHBondContact CE1-O 3.04Å; N577-D590 HydrophobicContact CB-CB 4.48Å; D590-G592 PolarHBondContact O-N 3.44Å
591	L	80.3	Confident	83.9	Confident	12 Å²	12	39.4 Å²	39.4	6%	0.063	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-73.6	17.8	175.2	-53.1	-170.9	0	0	0	112.9	T496 L499 L563 F593 C594	T496-L591 HydrophobicContact CG2-CD1 3.89Å; L499-L591 HydrophobicContact CD1-CD1 3.7Å; L563-L591 HydrophobicContact CD1-CD2 4.24Å; L563-L591 HydrophobicContact CD2-CD1 4.49Å; L591-F593 PolarHBondContact O-N 3.49Å; L591-F593 VanDerWaalsContact O-N 3.15Å; L591-C594 HydrophobicContact CB-CB 3.9Å; L591-C594 VanDerWaalsContact CB-SG 3.56Å; L591-C594 WeakPolarHBondContact CD2-SG 3.16Å; L591-C594 WeakPolarHBondContact O-CA 3.41Å; L591-C594 WeakPolarHBondContact O-CB 3.39Å; L591-C594 PolarHBondContact O-N 3.46Å
592	G	71.4	Confident	82.4	Confident	24 Å²	24	40.4 Å²	40.4	25%	0.247	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68.1	-12.1	179.3	0	0	0	0	0	115.5	E492 D590	E492-G592 WeakPolarHBondContact OE1-CA 3.34Å; E492-G592 PolarHBondContact OE1-N 3.33Å; E492-G592 WeakPolarHBondContact OE2-CA 3.37Å; D590-G592 PolarHBondContact O-N 3.44Å
593	F	71.5	Confident	81.4	Confident	26 Å²	26	33.6 Å²	33.6	11%	0.114	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-104.3	0.7	165.5	-63.6	-55.1	0	0	0	113.8	Y458 H570 R571 D572 L591 K595 V605	Y458-F593 HydrophobicContact CE1-CZ 4.04Å; Y458-F593 AromaticContact CE2-CE2 3.95Å; Y458-F593 HydrophobicContact CE2-CE2 3.95Å; Y458-F593 HydrophobicContact CE2-CZ 4.22Å; Y458-F593 AromaticContact CZ-CE2 3.66Å; Y458-F593 AromaticContact CZ-CZ 3.47Å; Y458-F593 VanDerWaalsContact CZ-CZ 3.47Å; Y458-F593 VanDerWaalsContact OH-CE2 3.23Å; Y458-F593 WeakPolarHBondContact OH-CE2 3.37Å; Y458-F593 WeakPolarHBondContact OH-CZ 3Å; H570-F593 CarbonylContact O-C 3.59Å; H570-F593 VanDerWaalsContact O-C 3.29Å; H570-F593 VanDerWaalsContact O-CB 3.31Å; H570-F593 WeakPolarHBondContact O-CB 3.26Å; R571-F593 HydrophobicContact CB-CB 4.27Å; R571-F593 PolarHBondContact NE-O 3.04Å; R571-F593 PolarHBondContact NH2-O 2.88Å; D572-F593 HydrophobicContact CB-CB 4.35Å; D572-F593 HydrophobicContact CB-CD2 3.45Å; D572-F593 VanDerWaalsContact CB-CD2 3.45Å; D572-F593 HydrophobicContact CB-CE2 4.13Å; D572-F593 HydrophobicContact CB-CG 4.32Å; L591-F593 PolarHBondContact O-N 3.49Å; L591-F593 VanDerWaalsContact O-N 3.15Å; F593-K595 PolarHBondContact O-N 2.82Å; F593-V605 HydrophobicContact CB-CG2 4.24Å; F593-V605 HydrophobicContact CD1-CB 3.53Å; F593-V605 HydrophobicContact CD1-CG1 3.83Å; F593-V605 HydrophobicContact CD1-CG2 3.77Å; F593-V605 HydrophobicContact CE1-CB 3.53Å; F593-V605 HydrophobicContact CE1-CG1 3.66Å; F593-V605 HydrophobicContact CE1-CG2 4.29Å; F593-V605 HydrophobicContact CG-CB 4.19Å; F593-V605 HydrophobicContact CG-CG2 4.15Å; F593-V605 HydrophobicContact CZ-CB 4.13Å
594	C	81.6	Confident	80.4	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.02	18%	0.184	C	C	.	.			trans	-64.1	122.9	173.7	-76.1	0	0	0	0	111	V569 L591	V569-C594 VanDerWaalsContact O-CA 3.26Å; V569-C594 WeakPolarHBondContact O-CA 3.19Å; L591-C594 HydrophobicContact CB-CB 3.9Å; L591-C594 VanDerWaalsContact CB-SG 3.56Å; L591-C594 WeakPolarHBondContact CD2-SG 3.16Å; L591-C594 WeakPolarHBondContact O-CA 3.41Å; L591-C594 WeakPolarHBondContact O-CB 3.39Å; L591-C594 PolarHBondContact O-N 3.46Å
595	K	78.8	Confident	79.6	Confident	45 Å²	45	32 Å²	32	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.4	168.2	-72.9	-168.7	-180	-172.1	0	108.8	D488 V569 R571 F593 M600	D488-K595 IonicContact OD1-NZ 2.95Å; D488-K595 PolarHBondContact OD1-NZ 3.27Å; V569-K595 PolarHBondContact N-O 2.85Å; V569-K595 PolarHBondContact O-N 3.3Å; R571-K595 VanDerWaalsContact NH2-CG 3.34Å; F593-K595 PolarHBondContact O-N 2.82Å; K595-M600 HydrophobicContact CB-CG 4.18Å
596	P	77.8	Confident	78.7	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	141.4	168.2	-20.9	30.5	0	0	0	110.6	F171 Y495 G567 L568 A598 M599 M600	F171-P596 HydrophobicContact CE1-CB 3.36Å; F171-P596 HydrophobicContact CE1-CG 4.11Å; F171-P596 HydrophobicContact CZ-CB 3.27Å; F171-P596 HydrophobicContact CZ-CG 3.53Å; Y495-P596 HydrophobicContact CD1-CG 4.41Å; Y495-P596 HydrophobicContact CE1-CG 3.7Å; Y495-P596 HydrophobicContact CE2-CG 4.22Å; G567-P596 VanDerWaalsContact O-CA 3.26Å; G567-P596 WeakPolarHBondContact O-CA 3.21Å; L568-P596 HydrophobicContact CD2-CB 4.28Å; L568-P596 HydrophobicContact CD2-CG 3.71Å; P596-A598 PolarHBondContact O-N 3.2Å; P596-A598 VanDerWaalsContact O-N 3.07Å; P596-M599 HydrophobicContact CB-CG 4.45Å; P596-M599 HydrophobicContact CG-CG 4.49Å; P596-M599 HydrophobicContact CG-SD 4.02Å; P596-M599 PolarHBondContact O-N 3.04Å; P596-M600 VanDerWaalsContact O-CG 3.29Å; P596-M600 WeakPolarHBondContact O-CG 3.5Å; P596-M600 PolarHBondContact O-N 3.15Å
597	E	73.8	Confident	77.9	Confident	86 Å²	86	31 Å²	31	40%	0.402	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-49.5	-42.8	-177.3	175.2	172.9	164.5	0	0	111.8	G567 V569 M599 M600 D621	G567-E597 PolarHBondContact O-N 2.95Å; V569-E597 HydrophobicContact CG2-CB 4.27Å; E597-M599 PolarHBondContact O-N 3.13Å; E597-M600 VanDerWaalsContact CA-CE 3.45Å; E597-M600 HydrophobicContact CB-CE 3.86Å; E597-M600 HydrophobicContact CG-CE 3.67Å; E597-M600 WeakPolarHBondContact O-CB 3.19Å; E597-M600 WeakPolarHBondContact O-CG 3.31Å; E597-M600 PolarHBondContact O-N 3.01Å; E597-M600 VanDerWaalsContact O-N 3.13Å; E597-D621 VanDerWaalsContact OE1-CB 3.3Å; E597-D621 WeakPolarHBondContact OE1-CB 3.35Å
598	A	66.6	Low	77.2	Confident	16 Å²	16	31 Å²	31	13%	0.132	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-53.1	-43.5	178.2	0	0	0	0	0	111.9	F171 Q174 P596 M600	F171-A598 HydrophobicContact CD1-CB 3.37Å; F171-A598 HydrophobicContact CE1-CB 3.44Å; F171-A598 VanDerWaalsContact CE1-CB 3.44Å; Q174-A598 HydrophobicContact CG-CB 4.34Å; Q174-A598 VanDerWaalsContact NE2-C 3.34Å; Q174-A598 PolarHBondContact NE2-O 3.44Å; Q174-A598 PolarHBondContact OE1-O 3.35Å; P596-A598 PolarHBondContact O-N 3.2Å; P596-A598 VanDerWaalsContact O-N 3.07Å; A598-M600 PolarHBondContact O-N 2.75Å
599	M	69.9	Low	76.6	Confident	12 Å²	12	32.4 Å²	32.4	6%	0.059	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-85.5	-2.9	-174.8	-60.9	179.8	78.8	0	0	114.5	R421 L491 Y495 P596 E597	R421-M599 HydrophobicContact CB-CE 4.35Å; R421-M599 HydrophobicContact CG-CE 3.74Å; R421-M599 HydrophobicContact CG-CG 4.48Å; R421-M599 PolarHBondContact NH1-O 3.43Å; L491-M599 HydrophobicContact CD2-CE 4.22Å; Y495-M599 PolarHBondContact OH-SD 3.05Å; P596-M599 HydrophobicContact CB-CG 4.45Å; P596-M599 HydrophobicContact CG-CG 4.49Å; P596-M599 HydrophobicContact CG-SD 4.02Å; P596-M599 PolarHBondContact O-N 3.04Å; E597-M599 PolarHBondContact O-N 3.13Å
600	M	72.3	Confident	76.4	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-75.8	-24.3	-169.8	-60.1	-167.7	-59.4	0	0	115.6	V569 R571 K595 P596 E597 A598 G602 S603 Y620	V569-M600 HydrophobicContact CB-CE 4.24Å; V569-M600 HydrophobicContact CB-SD 3.55Å; V569-M600 VanDerWaalsContact CB-SD 3.55Å; V569-M600 HydrophobicContact CG1-SD 4.03Å; V569-M600 HydrophobicContact CG2-CE 3.76Å; V569-M600 HydrophobicContact CG2-SD 3.68Å; R571-M600 HydrophobicContact CG-SD 4.36Å; K595-M600 HydrophobicContact CB-CG 4.18Å; P596-M600 VanDerWaalsContact O-CG 3.29Å; P596-M600 WeakPolarHBondContact O-CG 3.5Å; P596-M600 PolarHBondContact O-N 3.15Å; E597-M600 VanDerWaalsContact CA-CE 3.45Å; E597-M600 HydrophobicContact CB-CE 3.86Å; E597-M600 HydrophobicContact CG-CE 3.67Å; E597-M600 WeakPolarHBondContact O-CB 3.19Å; E597-M600 WeakPolarHBondContact O-CG 3.31Å; E597-M600 PolarHBondContact O-N 3.01Å; E597-M600 VanDerWaalsContact O-N 3.13Å; A598-M600 PolarHBondContact O-N 2.75Å; M600-G602 PolarHBondContact O-N 3.37Å; M600-S603 PolarHBondContact O-N 3.13Å; M600-S603 PolarHBondContact O-OG 3.39Å; M600-Y620 HydrophobicContact CB-CE2 3.87Å; M600-Y620 HydrophobicContact CE-CD2 3.72Å; M600-Y620 HydrophobicContact CE-CE2 3.69Å; M600-Y620 WeakPolarHBondContact CE-O 3.46Å; M600-Y620 HydrophobicContact CG-CE2 4.28Å; M600-Y620 HydrophobicContact SD-CD2 4.19Å; M600-Y620 HydrophobicContact SD-CE2 3.55Å; M600-Y620 VanDerWaalsContact SD-CE2 3.55Å
601	S	66.8	Low	76.6	Confident	65 Å²	65	31.6 Å²	31.6	46%	0.455	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	127.5	-170	177.2	0	0	0	0	113.1	R421	R421-S601 PolarHBondContact NH1-O 3.22Å
602	G	64.9	Low	77.1	Confident	65 Å²	65	31.1 Å²	31.1	67%	0.67	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	6.7	176.1	0	0	0	0	0	116.3	M600 G618	M600-G602 PolarHBondContact O-N 3.37Å; G602-G618 PolarHBondContact N-O 2.71Å; G602-G618 VanDerWaalsContact N-O 3.13Å
603	S	72.5	Confident	77.9	Confident	29 Å²	29	30.9 Å²	30.9	20%	0.203	19%	0.192	C	C	.	.			trans	-109.3	126.4	177.3	62.8	0	0	0	0	112.4	R571 M600 Y620	R571-S603 PolarHBondContact NH1-OG 2.79Å; M600-S603 PolarHBondContact O-N 3.13Å; M600-S603 PolarHBondContact O-OG 3.39Å; S603-Y620 WeakPolarHBondContact O-CE1 3.46Å; S603-Y620 PolarHBondContact O-OH 2.91Å; S603-Y620 PolarHBondContact OG-OH 2.98Å
604	I	76.4	Confident	78.7	Confident	90 Å²	90	30.7 Å²	30.7	46%	0.462	19%	0.192	S	C	.	.			trans	-107.6	108.5	175	-58.4	175.2	0	0	0	107.3	M611 L615 F616	I604-M611 HydrophobicContact CG2-CE 3.4Å; I604-L615 HydrophobicContact CB-CD2 4.24Å; I604-L615 HydrophobicContact CG2-CD2 3.84Å; I604-F616 HydrophobicContact CD1-CB 4.21Å; I604-F616 HydrophobicContact CD1-CD1 4.18Å; I604-F616 HydrophobicContact CD1-CG 4.45Å; I604-F616 HydrophobicContact CG2-CD1 3.97Å; I604-F616 HydrophobicContact CG2-CE1 4.1Å; I604-F616 HydrophobicContact CG2-CG 4.41Å
605	V	77.9	Confident	78.9	Confident	32 Å²	32	30.7 Å²	30.7	19%	0.194	19%	0.192	C	C	.	.			trans	-140.1	164.1	-176.6	-65.3	0	0	0	0	110.7	R571 F593	R571-V605 HydrophobicContact CB-CG2 4.16Å; F593-V605 HydrophobicContact CB-CG2 4.24Å; F593-V605 HydrophobicContact CD1-CB 3.53Å; F593-V605 HydrophobicContact CD1-CG1 3.83Å; F593-V605 HydrophobicContact CD1-CG2 3.77Å; F593-V605 HydrophobicContact CE1-CB 3.53Å; F593-V605 HydrophobicContact CE1-CG1 3.66Å; F593-V605 HydrophobicContact CE1-CG2 4.29Å; F593-V605 HydrophobicContact CG-CB 4.19Å; F593-V605 HydrophobicContact CG-CG2 4.15Å; F593-V605 HydrophobicContact CZ-CB 4.13Å
606	G	78.9	Confident	78.8	Confident	20 Å²	20	31.3 Å²	31.3	21%	0.206	19%	0.194	C	C	.	.	S	Bend	trans	109.4	179.2	179.8	0	0	0	0	0	113.5	R571	R571-G606 WeakPolarHBondContact O-CA 3.2Å
607	T	82.3	Confident	78.8	Confident	39 Å²	39	35.5 Å²	35.5	24%	0.239	22%	0.22	C	C	.	.			trans	-88.5	121.2	-179.6	-55.1	0	0	0	0	109.9	D572 K574 I609 H610 M611	D572-T607 PolarHBondContact OD1-N 2.99Å; D572-T607 PolarHBondContact OD1-OG1 2.8Å; K574-T607 WeakPolarHBondContact CD-OG1 3.35Å; K574-T607 PolarHBondContact NZ-OG1 2.82Å; T607-I609 VanDerWaalsContact C-N 3.28Å; T607-I609 HydrophobicContact CG2-CG1 3.91Å; T607-I609 PolarHBondContact O-N 3.46Å; T607-H610 PolarHBondContact O-N 3.22Å; T607-M611 WeakPolarHBondContact O-CG 3.42Å; T607-M611 PolarHBondContact O-N 3.49Å
608	P	82.9	Confident	78.7	Confident	36 Å²	36	31.9 Å²	31.9	23%	0.234	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-47.1	-40.3	-168.3	-33.9	36.2	0	0	0	116.8	H610 M611 K653 L656	P608-H610 VanDerWaalsContact C-N 3.25Å; P608-H610 PolarHBondContact O-N 2.94Å; P608-M611 VanDerWaalsContact CA-SD 3.54Å; P608-M611 HydrophobicContact CB-SD 4.48Å; P608-M611 HydrophobicContact CG-SD 4.41Å; P608-M611 PolarHBondContact O-N 3.37Å; P608-K653 HydrophobicContact CG-CD 3.88Å; P608-K653 HydrophobicContact CG-CG 4.03Å; P608-L656 HydrophobicContact CB-CD2 3.86Å
609	I	85.7	Confident	79.1	Confident	32 Å²	32	39.3 Å²	39.3	16%	0.164	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-68.1	-18.8	179.8	51	154.9	0	0	0	114.4	T607 L643 F647 L656	T607-I609 VanDerWaalsContact C-N 3.28Å; T607-I609 HydrophobicContact CG2-CG1 3.91Å; T607-I609 PolarHBondContact O-N 3.46Å; I609-L643 HydrophobicContact CD1-CD1 4.32Å; I609-L643 HydrophobicContact CG2-CD1 4.31Å; I609-F647 HydrophobicContact CG2-CD2 4.29Å; I609-L656 HydrophobicContact CB-CD2 4.38Å; I609-L656 HydrophobicContact CG2-CD1 4.43Å; I609-L656 HydrophobicContact CG2-CD2 3.45Å; I609-L656 VanDerWaalsContact CG2-CD2 3.45Å
610	H	87.7	Confident	79.8	Confident	14 Å²	14	40 Å²	40	7%	0.065	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-106.4	-1.2	178.2	-61.1	83	0	0	0	112.3	I573 T607 P608 Y627 A628	I573-H610 PolarHBondContact O-CD2 2.74Å; T607-H610 PolarHBondContact O-N 3.22Å; P608-H610 VanDerWaalsContact C-N 3.25Å; P608-H610 PolarHBondContact O-N 2.94Å; H610-Y627 WeakPolarHBondContact O-CD1 3.22Å; H610-A628 HydrophobicContact CB-CB 4.25Å
611	M	88.5	Confident	80.6	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.069	25%	0.251	C	S	.	.			trans	-82.5	127.8	-175	-71.4	166.2	71.1	0	0	111.2	I604 T607 P608 L615 F616	I604-M611 HydrophobicContact CG2-CE 3.4Å; T607-M611 WeakPolarHBondContact O-CG 3.42Å; T607-M611 PolarHBondContact O-N 3.49Å; P608-M611 VanDerWaalsContact CA-SD 3.54Å; P608-M611 HydrophobicContact CB-SD 4.48Å; P608-M611 HydrophobicContact CG-SD 4.41Å; P608-M611 PolarHBondContact O-N 3.37Å; M611-L615 HydrophobicContact CE-CD2 3.56Å; M611-F616 HydrophobicContact CB-CE2 3.99Å; M611-F616 HydrophobicContact CB-CZ 4.38Å; M611-F616 HydrophobicContact CE-CD2 4.46Å; M611-F616 HydrophobicContact CE-CE1 3.99Å; M611-F616 HydrophobicContact CE-CE2 3.71Å; M611-F616 HydrophobicContact CE-CZ 3.45Å; M611-F616 VanDerWaalsContact CE-CZ 3.45Å; M611-F616 HydrophobicContact SD-CZ 4.23Å
612	A	90.1	Very high	81.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.008	24%	0.243	C	C	.	.			trans	-66.8	149.7	176.3	0	0	0	0	0	112.2	E614 L615 V624 Y627	A612-E614 VanDerWaalsContact C-N 3.3Å; A612-E614 WeakPolarHBondContact CB-OE1 3.33Å; A612-E614 WeakPolarHBondContact CB-OE2 3.43Å; A612-E614 PolarHBondContact O-N 2.82Å; A612-L615 WeakPolarHBondContact O-CB 3.24Å; A612-L615 PolarHBondContact O-N 3.23Å; A612-V624 HydrophobicContact CB-CB 4.19Å; A612-V624 HydrophobicContact CB-CG1 4.06Å; A612-Y627 HydrophobicContact CB-CD1 3.92Å; A612-Y627 HydrophobicContact CB-CD2 4.07Å; A612-Y627 HydrophobicContact CB-CG 3.64Å
613	P	89.2	Confident	83.2	Confident	19 Å²	19	39.2 Å²	39.2	12%	0.123	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62.1	-29.4	-176.4	24.2	-33.8	0	0	0	114.8	L615 W657 V660	P613-L615 VanDerWaalsContact C-N 3.34Å; P613-W657 WeakPolarHBondContact O-CH2 3.38Å; P613-V660 HydrophobicContact CB-CG1 4.46Å
614	E	89.1	Confident	84.2	Confident	22 Å²	22	38 Å²	38	10%	0.103	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-77.7	-20.1	-179.7	67.7	-77.9	-175.7	0	0	113.1	A612 F616 T617 V624 P688 R691	A612-E614 VanDerWaalsContact C-N 3.3Å; A612-E614 WeakPolarHBondContact CB-OE1 3.33Å; A612-E614 WeakPolarHBondContact CB-OE2 3.43Å; A612-E614 PolarHBondContact O-N 2.82Å; E614-F616 PolarHBondContact O-N 3.28Å; E614-T617 WeakPolarHBondContact O-CB 3.31Å; E614-T617 PolarHBondContact O-N 3.3Å; E614-T617 PolarHBondContact O-OG1 3.3Å; E614-V624 HydrophobicContact CG-CG1 4.44Å; E614-V624 WeakPolarHBondContact OE1-CG1 3.26Å; E614-P688 HydrophobicContact CB-CG 4.01Å; E614-P688 VanDerWaalsContact CD-CG 3.45Å; E614-P688 HydrophobicContact CG-CG 3.66Å; E614-R691 VanDerWaalsContact CD-NH2 3.31Å; E614-R691 IonicContact OE1-CZ 3.96Å; E614-R691 VanDerWaalsContact OE1-CZ 3.31Å; E614-R691 IonicContact OE1-NH1 2.96Å; E614-R691 PolarHBondContact OE1-NH1 3.46Å; E614-R691 IonicContact OE1-NH2 3.33Å; E614-R691 PolarHBondContact OE1-NH2 3.16Å; E614-R691 VanDerWaalsContact OE1-NH2 3.15Å; E614-R691 IonicContact OE2-CZ 2.83Å; E614-R691 IonicContact OE2-NH1 3Å; E614-R691 IonicContact OE2-NH2 3.77Å; E614-R691 PolarHBondContact OE2-NH2 2.66Å
615	L	84.7	Confident	85.2	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-59.3	-28	-174.5	-164.7	144.3	0	0	0	112.3	I604 M611 A612 P613 G618 Y620 V624	I604-L615 HydrophobicContact CB-CD2 4.24Å; I604-L615 HydrophobicContact CG2-CD2 3.84Å; M611-L615 HydrophobicContact CE-CD2 3.56Å; A612-L615 WeakPolarHBondContact O-CB 3.24Å; A612-L615 PolarHBondContact O-N 3.23Å; P613-L615 VanDerWaalsContact C-N 3.34Å; L615-G618 PolarHBondContact O-N 3.45Å; L615-Y620 HydrophobicContact CB-CD1 4.39Å; L615-Y620 HydrophobicContact CD1-CE2 4.43Å; L615-Y620 HydrophobicContact CG-CD1 4.07Å; L615-Y620 HydrophobicContact CG-CE1 3.94Å; L615-Y620 HydrophobicContact CG-CE2 4.45Å; L615-Y620 HydrophobicContact CG-CG 4.37Å; L615-V624 HydrophobicContact CD1-CB 4.28Å; L615-V624 HydrophobicContact CD1-CG1 4.19Å
616	F	76.8	Confident	86.1	Confident	58 Å²	58	32.5 Å²	32.5	25%	0.254	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-86.5	-10.2	180	-58.9	-111.6	0	0	0	114.1	I604 M611 E614 G618 W657	I604-F616 HydrophobicContact CD1-CB 4.21Å; I604-F616 HydrophobicContact CD1-CD1 4.18Å; I604-F616 HydrophobicContact CD1-CG 4.45Å; I604-F616 HydrophobicContact CG2-CD1 3.97Å; I604-F616 HydrophobicContact CG2-CE1 4.1Å; I604-F616 HydrophobicContact CG2-CG 4.41Å; M611-F616 HydrophobicContact CB-CE2 3.99Å; M611-F616 HydrophobicContact CB-CZ 4.38Å; M611-F616 HydrophobicContact CE-CD2 4.46Å; M611-F616 HydrophobicContact CE-CE1 3.99Å; M611-F616 HydrophobicContact CE-CE2 3.71Å; M611-F616 HydrophobicContact CE-CZ 3.45Å; M611-F616 VanDerWaalsContact CE-CZ 3.45Å; M611-F616 HydrophobicContact SD-CZ 4.23Å; E614-F616 PolarHBondContact O-N 3.28Å; F616-G618 PolarHBondContact O-N 3.39Å; F616-W657 HydrophobicContact CB-CH2 3.23Å; F616-W657 HydrophobicContact CB-CZ2 3.14Å; F616-W657 HydrophobicContact CB-CZ3 4.16Å; F616-W657 AromaticContact CD1-CD2 3.92Å; F616-W657 HydrophobicContact CD1-CD2 3.92Å; F616-W657 AromaticContact CD1-CE2 3.7Å; F616-W657 HydrophobicContact CD1-CE3 4.08Å; F616-W657 AromaticContact CD1-CH2 3.84Å; F616-W657 HydrophobicContact CD1-CH2 3.84Å; F616-W657 AromaticContact CD1-CZ2 3.56Å; F616-W657 HydrophobicContact CD1-CZ2 3.56Å; F616-W657 HydrophobicContact CD1-CZ3 4.09Å; F616-W657 HydrophobicContact CD2-CD2 4.16Å; F616-W657 AromaticContact CD2-CE3 3.52Å; F616-W657 HydrophobicContact CD2-CE3 3.52Å; F616-W657 AromaticContact CD2-CH2 2.9Å; F616-W657 HydrophobicContact CD2-CH2 2.9Å; F616-W657 AromaticContact CD2-CZ2 3.57Å; F616-W657 HydrophobicContact CD2-CZ2 3.57Å; F616-W657 AromaticContact CD2-CZ3 2.87Å; F616-W657 HydrophobicContact CD2-CZ3 2.87Å; F616-W657 AromaticContact CE1-CD2 3.74Å; F616-W657 HydrophobicContact CE1-CD2 3.74Å; F616-W657 AromaticContact CE1-CE3 3.79Å; F616-W657 HydrophobicContact CE1-CE3 3.79Å; F616-W657 HydrophobicContact CE1-CG 4.19Å; F616-W657 HydrophobicContact CE1-CH2 4.37Å; F616-W657 HydrophobicContact CE1-CZ2 4.24Å; F616-W657 HydrophobicContact CE1-CZ3 4.16Å; F616-W657 AromaticContact CE2-CD2 3.99Å; F616-W657 HydrophobicContact CE2-CD2 3.99Å; F616-W657 AromaticContact CE2-CE3 3.17Å; F616-W657 HydrophobicContact CE2-CE3 3.17Å; F616-W657 AromaticContact CE2-CH2 3.56Å; F616-W657 HydrophobicContact CE2-CH2 3.56Å; F616-W657 HydrophobicContact CE2-CZ2 4.23Å; F616-W657 AromaticContact CE2-CZ3 2.96Å; F616-W657 HydrophobicContact CE2-CZ3 2.96Å; F616-W657 HydrophobicContact CG-CD2 4.1Å; F616-W657 AromaticContact CG-CE2 3.77Å; F616-W657 AromaticContact CG-CE3 3.94Å; F616-W657 HydrophobicContact CG-CE3 3.94Å; F616-W657 AromaticContact CG-CH2 3.04Å; F616-W657 HydrophobicContact CG-CH2 3.04Å; F616-W657 AromaticContact CG-CZ2 3.14Å; F616-W657 HydrophobicContact CG-CZ2 3.14Å; F616-W657 AromaticContact CG-CZ3 3.47Å; F616-W657 HydrophobicContact CG-CZ3 3.47Å; F616-W657 VanDerWaalsContact CG-CZ3 3.47Å; F616-W657 AromaticContact CZ-CD2 3.76Å; F616-W657 HydrophobicContact CZ-CD2 3.76Å; F616-W657 AromaticContact CZ-CE3 3.31Å; F616-W657 HydrophobicContact CZ-CE3 3.31Å; F616-W657 HydrophobicContact CZ-CG 4.37Å; F616-W657 HydrophobicContact CZ-CH2 4.23Å; F616-W657 AromaticContact CZ-CZ3 3.63Å; F616-W657 HydrophobicContact CZ-CZ3 3.63Å
617	T	77.3	Confident	87	Confident	92 Å²	92	31.6 Å²	31.6	56%	0.564	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-71.8	-13	166.2	73.4	0	0	0	0	111	E614 K619	E614-T617 WeakPolarHBondContact O-CB 3.31Å; E614-T617 PolarHBondContact O-N 3.3Å; E614-T617 PolarHBondContact O-OG1 3.3Å; T617-K619 PolarHBondContact O-N 3.46Å; T617-K619 PolarHBondContact OG1-N 3.42Å; T617-K619 VanDerWaalsContact OG1-N 3.17Å; T617-K619 PolarHBondContact OG1-O 2.98Å
618	G	72	Confident	87.7	Confident	10 Å²	10	29.9 Å²	29.9	10%	0.103	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	-2.4	-173.1	0	0	0	0	0	113.7	G602 L615 F616	G602-G618 PolarHBondContact N-O 2.71Å; G602-G618 VanDerWaalsContact N-O 3.13Å; L615-G618 PolarHBondContact O-N 3.45Å; F616-G618 PolarHBondContact O-N 3.39Å
619	K	75.9	Confident	88.4	Confident	171 Å²	171	28.1 Å²	28.1	74%	0.743	15%	0.145	S	C	*	.			trans	-117.7	108.1	177.2	-63.3	-176.2	-179.8	-177.3	0	109	T617	T617-K619 PolarHBondContact O-N 3.46Å; T617-K619 PolarHBondContact OG1-N 3.42Å; T617-K619 VanDerWaalsContact OG1-N 3.17Å; T617-K619 PolarHBondContact OG1-O 2.98Å
620	Y	84	Confident	89	Confident	26 Å²	26	26.6 Å²	26.6	10%	0.102	14%	0.137	C	C	.	.			trans	-158.2	161.4	-178.4	59.3	-90.8	0	0	0	110	R571 M600 S603 L615 V624	R571-Y620 HydrophobicContact CG-CE2 4.46Å; R571-Y620 PolarHBondContact NH1-OH 3.27Å; M600-Y620 HydrophobicContact CB-CE2 3.87Å; M600-Y620 HydrophobicContact CE-CD2 3.72Å; M600-Y620 HydrophobicContact CE-CE2 3.69Å; M600-Y620 WeakPolarHBondContact CE-O 3.46Å; M600-Y620 HydrophobicContact CG-CE2 4.28Å; M600-Y620 HydrophobicContact SD-CD2 4.19Å; M600-Y620 HydrophobicContact SD-CE2 3.55Å; M600-Y620 VanDerWaalsContact SD-CE2 3.55Å; S603-Y620 WeakPolarHBondContact O-CE1 3.46Å; S603-Y620 PolarHBondContact O-OH 2.91Å; S603-Y620 PolarHBondContact OG-OH 2.98Å; L615-Y620 HydrophobicContact CB-CD1 4.39Å; L615-Y620 HydrophobicContact CD1-CE2 4.43Å; L615-Y620 HydrophobicContact CG-CD1 4.07Å; L615-Y620 HydrophobicContact CG-CE1 3.94Å; L615-Y620 HydrophobicContact CG-CE2 4.45Å; L615-Y620 HydrophobicContact CG-CG 4.37Å; Y620-V624 HydrophobicContact CD2-CG1 3.74Å; Y620-V624 HydrophobicContact CD2-CG2 4.22Å; Y620-V624 HydrophobicContact CG-CG1 4.03Å
621	D	88.1	Confident	89.5	Confident	56 Å²	56	26 Å²	26	30%	0.299	13%	0.134	S	C	.	.			trans	-121.8	-163.4	-177.9	60	17	0	0	0	110.6	E597 S623 V624	E597-D621 VanDerWaalsContact OE1-CB 3.3Å; E597-D621 WeakPolarHBondContact OE1-CB 3.35Å; D621-S623 PolarHBondContact O-N 3.4Å; D621-S623 WeakPolarHBondContact OD1-CB 3.1Å; D621-S623 PolarHBondContact OD1-N 2.9Å; D621-S623 PolarHBondContact OD1-OG 2.91Å; D621-V624 WeakPolarHBondContact O-CG2 3.35Å
622	N	91.9	Very high	89.9	Confident	51 Å²	51	25.3 Å²	25.3	27%	0.273	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.1	178.9	69.3	3.1	0	0	0	114.6	H564 V569 V624 D625	H564-N622 PolarHBondContact CE1-O 3.11Å; V569-N622 HydrophobicContact CG2-CB 3.75Å; N622-V624 PolarHBondContact O-N 3.46Å; N622-V624 VanDerWaalsContact O-N 3.13Å; N622-D625 PolarHBondContact O-N 3.39Å; N622-D625 VanDerWaalsContact O-N 3.14Å
623	S	94.8	Very high	90.3	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-14.7	-179	73.4	0	0	0	0	113.3	D621 D625 V626 Y627 P688 R691	D621-S623 PolarHBondContact O-N 3.4Å; D621-S623 WeakPolarHBondContact OD1-CB 3.1Å; D621-S623 PolarHBondContact OD1-N 2.9Å; D621-S623 PolarHBondContact OD1-OG 2.91Å; S623-D625 VanDerWaalsContact C-N 3.25Å; S623-D625 PolarHBondContact O-N 2.78Å; S623-V626 WeakPolarHBondContact O-CB 2.91Å; S623-V626 PolarHBondContact O-N 3.43Å; S623-V626 VanDerWaalsContact O-N 3.15Å; S623-Y627 PolarHBondContact O-N 2.95Å; S623-Y627 VanDerWaalsContact O-N 3.1Å; S623-P688 WeakPolarHBondContact OG-CB 3.21Å; S623-R691 PolarHBondContact O-NH1 2.66Å; S623-R691 PolarHBondContact OG-NH1 3.43Å
624	V	94.8	Very high	90.6	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-31.9	173.3	-58.4	0	0	0	0	112.2	V569 R571 A612 E614 L615 Y620 D621 N622 V626 Y627 A628	V569-V624 HydrophobicContact CG1-CG2 3.65Å; R571-V624 HydrophobicContact CG-CG2 4.26Å; A612-V624 HydrophobicContact CB-CB 4.19Å; A612-V624 HydrophobicContact CB-CG1 4.06Å; E614-V624 HydrophobicContact CG-CG1 4.44Å; E614-V624 WeakPolarHBondContact OE1-CG1 3.26Å; L615-V624 HydrophobicContact CD1-CB 4.28Å; L615-V624 HydrophobicContact CD1-CG1 4.19Å; Y620-V624 HydrophobicContact CD2-CG1 3.74Å; Y620-V624 HydrophobicContact CD2-CG2 4.22Å; Y620-V624 HydrophobicContact CG-CG1 4.03Å; D621-V624 WeakPolarHBondContact O-CG2 3.35Å; N622-V624 PolarHBondContact O-N 3.46Å; N622-V624 VanDerWaalsContact O-N 3.13Å; V624-V626 VanDerWaalsContact C-N 3.34Å; V624-Y627 PolarHBondContact O-N 3.46Å; V624-A628 PolarHBondContact O-N 3.46Å
625	D	96.6	Very high	91	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-73.4	-30	175.3	-72.8	-23.3	0	0	0	111.4	I560 H564 V569 H570 R571 N622 S623 A628 F629	I560-D625 HydrophobicContact CG2-CB 3.8Å; H564-D625 IonicContact CD2-OD2 3.59Å; H564-D625 IonicContact CE1-OD2 2.58Å; H564-D625 IonicContact NE2-OD2 2.97Å; H564-D625 PolarHBondContact NE2-OD2 3Å; V569-D625 VanDerWaalsContact CG1-OD2 3.28Å; V569-D625 WeakPolarHBondContact CG1-OD2 3.5Å; H570-D625 PolarHBondContact N-OD1 2.98Å; H570-D625 PolarHBondContact N-OD2 3.16Å; R571-D625 PolarHBondContact N-OD1 3.16Å; N622-D625 PolarHBondContact O-N 3.39Å; N622-D625 VanDerWaalsContact O-N 3.14Å; S623-D625 VanDerWaalsContact C-N 3.25Å; S623-D625 PolarHBondContact O-N 2.78Å; D625-A628 PolarHBondContact O-N 3.05Å; D625-F629 WeakPolarHBondContact O-CB 3.47Å; D625-F629 PolarHBondContact O-N 2.9Å
626	V	97.8	Very high	91.6	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.036	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-42.5	173.9	-173.7	0	0	0	0	110.1	S623 V624 F629 G630 C683 R691 L694	S623-V626 WeakPolarHBondContact O-CB 2.91Å; S623-V626 PolarHBondContact O-N 3.43Å; S623-V626 VanDerWaalsContact O-N 3.15Å; V624-V626 VanDerWaalsContact C-N 3.34Å; V626-F629 WeakPolarHBondContact O-CB 2.93Å; V626-F629 PolarHBondContact O-N 3.44Å; V626-G630 PolarHBondContact O-N 2.96Å; V626-C683 HydrophobicContact CG1-CB 4.13Å; V626-R691 HydrophobicContact CG1-CB 4.31Å; V626-L694 HydrophobicContact CG2-CD1 4.34Å; V626-L694 HydrophobicContact CG2-CD2 4.15Å; V626-L694 HydrophobicContact CG2-CG 3.94Å
627	Y	97.3	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-50.6	172.4	-177.5	-80.3	0	0	0	111.6	H610 A612 S623 V624 F629 G630 I631 R665 C683 W684	H610-Y627 WeakPolarHBondContact O-CD1 3.22Å; A612-Y627 HydrophobicContact CB-CD1 3.92Å; A612-Y627 HydrophobicContact CB-CD2 4.07Å; A612-Y627 HydrophobicContact CB-CG 3.64Å; S623-Y627 PolarHBondContact O-N 2.95Å; S623-Y627 VanDerWaalsContact O-N 3.1Å; V624-Y627 PolarHBondContact O-N 3.46Å; Y627-F629 VanDerWaalsContact C-N 3.26Å; Y627-F629 PolarHBondContact O-N 3.48Å; Y627-G630 PolarHBondContact O-N 3.3Å; Y627-I631 HydrophobicContact CD1-CG1 4.2Å; Y627-I631 HydrophobicContact CE1-CD1 4.2Å; Y627-I631 HydrophobicContact CE1-CG1 3.78Å; Y627-I631 PolarHBondContact O-N 3.37Å; Y627-I631 VanDerWaalsContact O-N 3.17Å; Y627-R665 PolarHBondContact OH-NE 3.08Å; Y627-C683 WeakPolarHBondContact CA-O 3.24Å; Y627-C683 PolarHBondContact N-O 3.46Å; Y627-W684 HydrophobicContact CD2-CB 3.81Å; Y627-W684 HydrophobicContact CE2-CB 3.74Å; Y627-W684 WeakPolarHBondContact CE2-O 3.33Å; Y627-W684 HydrophobicContact CG-CB 4.42Å
628	A	97.1	Very high	93.3	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-36.3	179.5	0	0	0	0	0	111.9	I573 H610 V624 D625 I631 L632	I573-A628 HydrophobicContact CB-CB 3.87Å; H610-A628 HydrophobicContact CB-CB 4.25Å; V624-A628 PolarHBondContact O-N 3.46Å; D625-A628 PolarHBondContact O-N 3.05Å; A628-I631 PolarHBondContact O-N 2.79Å; A628-L632 WeakPolarHBondContact O-CB 3.23Å; A628-L632 PolarHBondContact O-N 3.11Å
629	F	98.3	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-42.5	170.9	172.8	-98.8	0	0	0	112.3	A553 V556 V557 I560 D625 V626 Y627 I631 L632 F633 V697 L701	A553-F629 HydrophobicContact CB-CE2 4.34Å; A553-F629 HydrophobicContact CB-CZ 4.38Å; V556-F629 HydrophobicContact CG1-CD2 4.01Å; V556-F629 HydrophobicContact CG1-CE2 4.46Å; V557-F629 HydrophobicContact CG2-CD1 4.34Å; V557-F629 HydrophobicContact CG2-CD2 3.93Å; V557-F629 HydrophobicContact CG2-CE1 3.85Å; V557-F629 HydrophobicContact CG2-CE2 3.38Å; V557-F629 HydrophobicContact CG2-CG 4.38Å; V557-F629 HydrophobicContact CG2-CZ 3.33Å; I560-F629 HydrophobicContact CD1-CB 4.15Å; D625-F629 WeakPolarHBondContact O-CB 3.47Å; D625-F629 PolarHBondContact O-N 2.9Å; V626-F629 WeakPolarHBondContact O-CB 2.93Å; V626-F629 PolarHBondContact O-N 3.44Å; Y627-F629 VanDerWaalsContact C-N 3.26Å; Y627-F629 PolarHBondContact O-N 3.48Å; F629-I631 VanDerWaalsContact C-N 3.31Å; F629-I631 PolarHBondContact O-N 2.08Å; F629-L632 CarbonylContact O-C 3.59Å; F629-L632 WeakPolarHBondContact O-CB 3.44Å; F629-L632 PolarHBondContact O-N 2.79Å; F629-L632 VanDerWaalsContact O-N 3.15Å; F629-F633 HydrophobicContact CE1-CB 4.21Å; F629-F633 HydrophobicContact CE1-CG 4.43Å; F629-F633 HydrophobicContact CZ-CB 4.12Å; F629-F633 HydrophobicContact CZ-CD2 4.43Å; F629-F633 HydrophobicContact CZ-CG 4.22Å; F629-F633 VanDerWaalsContact O-CB 3.29Å; F629-F633 WeakPolarHBondContact O-CB 3.36Å; F629-F633 PolarHBondContact O-N 2.88Å; F629-V697 HydrophobicContact CD1-CG1 4.25Å; F629-V697 HydrophobicContact CE1-CG1 3.61Å; F629-V697 HydrophobicContact CZ-CG1 4.28Å; F629-L701 HydrophobicContact CZ-CD2 4.35Å
630	G	97.6	Very high	95.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.8	-43.9	175.4	0	0	0	0	0	112.6	V626 Y627 F633 W634	V626-G630 PolarHBondContact O-N 2.96Å; Y627-G630 PolarHBondContact O-N 3.3Å; G630-F633 PolarHBondContact O-N 2.88Å; G630-W634 PolarHBondContact O-N 2.94Å; G630-W634 VanDerWaalsContact O-N 3.13Å
631	I	96.9	Very high	95.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-43.5	174.8	-57.4	-69.1	0	0	0	111.3	Y627 A628 F629 F633 W634 Y635 P666 W684	Y627-I631 HydrophobicContact CD1-CG1 4.2Å; Y627-I631 HydrophobicContact CE1-CD1 4.2Å; Y627-I631 HydrophobicContact CE1-CG1 3.78Å; Y627-I631 PolarHBondContact O-N 3.37Å; Y627-I631 VanDerWaalsContact O-N 3.17Å; A628-I631 PolarHBondContact O-N 2.79Å; F629-I631 VanDerWaalsContact C-N 3.31Å; F629-I631 PolarHBondContact O-N 2.08Å; I631-F633 VanDerWaalsContact C-N 3.3Å; I631-F633 PolarHBondContact O-N 2.79Å; I631-W634 WeakPolarHBondContact O-CB 3.39Å; I631-W634 PolarHBondContact O-N 3.01Å; I631-Y635 HydrophobicContact CG2-CE2 4.15Å; I631-Y635 VanDerWaalsContact O-CD2 3.31Å; I631-Y635 WeakPolarHBondContact O-CD2 3.46Å; I631-Y635 PolarHBondContact O-N 3.27Å; I631-P666 HydrophobicContact CD1-CG 3.82Å; I631-W684 HydrophobicContact CD1-CD2 4.46Å; I631-W684 HydrophobicContact CD1-CE3 3.58Å; I631-W684 HydrophobicContact CD1-CZ3 4.09Å; I631-W684 HydrophobicContact CG1-CE3 4.32Å
632	L	97.6	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-41.6	175	-174.9	76	0	0	0	111.6	L536 V556 I573 L575 V578 A628 F629 W634 Y635 L636	L536-L632 HydrophobicContact CD2-CD1 4.13Å; V556-L632 HydrophobicContact CB-CD2 4.41Å; V556-L632 HydrophobicContact CG1-CD2 3.83Å; V556-L632 HydrophobicContact CG2-CD2 4.15Å; I573-L632 HydrophobicContact CG2-CD2 3.96Å; L575-L632 HydrophobicContact CD2-CD1 3.61Å; L575-L632 HydrophobicContact CG-CD1 4.04Å; V578-L632 HydrophobicContact CG2-CD2 4.22Å; A628-L632 WeakPolarHBondContact O-CB 3.23Å; A628-L632 PolarHBondContact O-N 3.11Å; F629-L632 CarbonylContact O-C 3.59Å; F629-L632 WeakPolarHBondContact O-CB 3.44Å; F629-L632 PolarHBondContact O-N 2.79Å; F629-L632 VanDerWaalsContact O-N 3.15Å; L632-W634 VanDerWaalsContact C-N 3.29Å; L632-W634 PolarHBondContact O-N 3.19Å; L632-Y635 WeakPolarHBondContact O-CB 3.17Å; L632-Y635 PolarHBondContact O-N 2.74Å; L632-Y635 VanDerWaalsContact O-N 3.13Å; L632-L636 HydrophobicContact CG-CD1 4.38Å; L632-L636 PolarHBondContact O-N 2.87Å
633	F	97.8	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-30.9	-177.7	-172.2	-134.2	0	0	0	111.9	L550 A553 F629 G630 I631 L636 C637 C676 L679 M680 L701	L550-F633 HydrophobicContact CD2-CE2 3.92Å; L550-F633 HydrophobicContact CD2-CZ 4.26Å; A553-F633 HydrophobicContact CB-CD2 3.87Å; A553-F633 HydrophobicContact CB-CE2 4.02Å; F629-F633 HydrophobicContact CE1-CB 4.21Å; F629-F633 HydrophobicContact CE1-CG 4.43Å; F629-F633 HydrophobicContact CZ-CB 4.12Å; F629-F633 HydrophobicContact CZ-CD2 4.43Å; F629-F633 HydrophobicContact CZ-CG 4.22Å; F629-F633 VanDerWaalsContact O-CB 3.29Å; F629-F633 WeakPolarHBondContact O-CB 3.36Å; F629-F633 PolarHBondContact O-N 2.88Å; G630-F633 PolarHBondContact O-N 2.88Å; I631-F633 VanDerWaalsContact C-N 3.3Å; I631-F633 PolarHBondContact O-N 2.79Å; F633-L636 HydrophobicContact CD2-CB 4.22Å; F633-L636 CarbonylContact O-C 3.58Å; F633-L636 PolarHBondContact O-N 3.02Å; F633-C637 WeakPolarHBondContact O-CB 3.48Å; F633-C637 PolarHBondContact O-N 2.9Å; F633-C637 PolarHBondContact O-SG 3.45Å; F633-C676 HydrophobicContact CE1-CB 4.28Å; F633-C676 HydrophobicContact CZ-CB 4.27Å; F633-L679 HydrophobicContact CE1-CB 4.37Å; F633-L679 HydrophobicContact CE1-CD2 4.05Å; F633-L679 HydrophobicContact CE1-CG 4.4Å; F633-M680 HydrophobicContact CD1-CB 3.95Å; F633-M680 HydrophobicContact CD1-CE 4.31Å; F633-M680 HydrophobicContact CE1-CE 4.4Å; F633-L701 HydrophobicContact CE1-CD1 4.44Å; F633-L701 HydrophobicContact CE2-CD1 3.62Å; F633-L701 HydrophobicContact CZ-CD1 3.54Å
634	W	97.3	Very high	95.3	Very high	9 Å²	9	19.6 Å²	19.6	3%	0.034	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-46	168.9	-175.3	94.8	0	0	0	112.2	G630 I631 L632 L636 C637 T638 P644 P666 E667 V669 F672 M680 W684	G630-W634 PolarHBondContact O-N 2.94Å; G630-W634 VanDerWaalsContact O-N 3.13Å; I631-W634 WeakPolarHBondContact O-CB 3.39Å; I631-W634 PolarHBondContact O-N 3.01Å; L632-W634 VanDerWaalsContact C-N 3.29Å; L632-W634 PolarHBondContact O-N 3.19Å; W634-L636 VanDerWaalsContact C-N 3.32Å; W634-L636 PolarHBondContact O-N 3.39Å; W634-C637 PolarHBondContact O-N 2.87Å; W634-C637 VanDerWaalsContact O-N 3.16Å; W634-T638 HydrophobicContact CD2-CG2 3.94Å; W634-T638 HydrophobicContact CE3-CG2 3.92Å; W634-T638 HydrophobicContact CH2-CG2 3.72Å; W634-T638 HydrophobicContact CZ2-CG2 3.73Å; W634-T638 HydrophobicContact CZ3-CG2 3.81Å; W634-T638 WeakPolarHBondContact O-CG2 3.32Å; W634-T638 PolarHBondContact O-N 2.9Å; W634-T638 PolarHBondContact O-OG1 2.99Å; W634-P644 HydrophobicContact CD2-CG 4.45Å; W634-P644 HydrophobicContact CE3-CG 4.06Å; W634-P644 HydrophobicContact CH2-CB 4.07Å; W634-P644 HydrophobicContact CH2-CG 3.79Å; W634-P644 HydrophobicContact CZ2-CB 4.2Å; W634-P644 HydrophobicContact CZ2-CG 4.18Å; W634-P644 HydrophobicContact CZ3-CG 3.73Å; W634-P666 HydrophobicContact CD2-CB 3.9Å; W634-P666 HydrophobicContact CG-CB 3.83Å; W634-P666 HydrophobicContact CG-CG 4.37Å; W634-P666 HydrophobicContact CZ2-CB 4.34Å; W634-E667 PolarHBondContact NE1-O 3.2Å; W634-V669 HydrophobicContact CZ2-CG2 4.13Å; W634-F672 AromaticContact CD1-CE2 3.53Å; W634-F672 AromaticContact CD1-CZ 3.72Å; W634-F672 HydrophobicContact CD2-CZ 4.46Å; W634-F672 HydrophobicContact CG-CE2 4.44Å; W634-F672 HydrophobicContact CG-CZ 4.25Å; W634-F672 AromaticContact NE1-CE2 3.53Å; W634-F672 AromaticContact NE1-CZ 3.63Å; W634-M680 HydrophobicContact CB-SD 4.09Å; W634-M680 HydrophobicContact CG-SD 4.33Å; W634-W684 HydrophobicContact CB-CH2 4.39Å; W634-W684 HydrophobicContact CB-CZ3 3.95Å; W634-W684 AromaticContact CD1-CH2 3.81Å; W634-W684 HydrophobicContact CG-CH2 4.39Å; W634-W684 HydrophobicContact CG-CZ3 4.32Å
635	Y	96.8	Very high	95.1	Very high	8 Å²	8	25 Å²	25	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-39.1	174.7	-71.8	-72.9	0	0	0	112.2	L575 I631 L632 C637 T638 G639 S640 K642 P644	L575-Y635 HydrophobicContact CD1-CD1 4Å; L575-Y635 HydrophobicContact CD1-CD2 4.14Å; L575-Y635 HydrophobicContact CD1-CE1 4.4Å; L575-Y635 HydrophobicContact CD1-CG 3.85Å; L575-Y635 HydrophobicContact CD2-CG 4.39Å; L575-Y635 HydrophobicContact CG-CD2 4.35Å; L575-Y635 HydrophobicContact CG-CG 4.35Å; I631-Y635 HydrophobicContact CG2-CE2 4.15Å; I631-Y635 VanDerWaalsContact O-CD2 3.31Å; I631-Y635 WeakPolarHBondContact O-CD2 3.46Å; I631-Y635 PolarHBondContact O-N 3.27Å; L632-Y635 WeakPolarHBondContact O-CB 3.17Å; L632-Y635 PolarHBondContact O-N 2.74Å; L632-Y635 VanDerWaalsContact O-N 3.13Å; Y635-C637 VanDerWaalsContact C-N 3.3Å; Y635-C637 PolarHBondContact O-N 2.94Å; Y635-T638 PolarHBondContact O-N 2.96Å; Y635-T638 PolarHBondContact O-OG1 3.14Å; Y635-T638 VanDerWaalsContact O-OG1 3.09Å; Y635-G639 PolarHBondContact O-N 3.38Å; Y635-S640 WeakPolarHBondContact CD1-O 3.44Å; Y635-K642 WeakPolarHBondContact CE1-O 3.36Å; Y635-P644 WeakPolarHBondContact OH-CD 3.48Å
636	L	97.1	Very high	94.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-32.4	174.8	-69.3	172.3	0	0	0	112.1	L536 L540 R549 I552 A553 L632 F633 W634	L536-L636 HydrophobicContact CD1-CD2 3.93Å; L536-L636 HydrophobicContact CD2-CD2 3.9Å; L536-L636 HydrophobicContact CG-CD2 4.41Å; L540-L636 HydrophobicContact CD2-CD2 4.35Å; R549-L636 HydrophobicContact CB-CB 4.46Å; R549-L636 HydrophobicContact CB-CD2 4.22Å; R549-L636 WeakPolarHBondContact CD-O 3.5Å; R549-L636 HydrophobicContact CG-CD2 4.41Å; R549-L636 PolarHBondContact NH1-O 2.69Å; I552-L636 HydrophobicContact CB-CD2 4.47Å; I552-L636 HydrophobicContact CG2-CD1 4.3Å; I552-L636 HydrophobicContact CG2-CD2 4Å; A553-L636 HydrophobicContact CB-CD1 3.66Å; L632-L636 HydrophobicContact CG-CD1 4.38Å; L632-L636 PolarHBondContact O-N 2.87Å; F633-L636 HydrophobicContact CD2-CB 4.22Å; F633-L636 CarbonylContact O-C 3.58Å; F633-L636 PolarHBondContact O-N 3.02Å; W634-L636 VanDerWaalsContact C-N 3.32Å; W634-L636 PolarHBondContact O-N 3.39Å
637	C	96	Very high	94.1	Very high	17 Å²	17	26.6 Å²	26.6	12%	0.115	15%	0.146	C	C	.	.	H	α-helix	trans	-76.7	-40	175.4	-70.4	0	0	0	0	112.5	R549 F633 W634 Y635 G639 F672 M680	R549-C637 PolarHBondContact NH1-O 3.25Å; F633-C637 WeakPolarHBondContact O-CB 3.48Å; F633-C637 PolarHBondContact O-N 2.9Å; F633-C637 PolarHBondContact O-SG 3.45Å; W634-C637 PolarHBondContact O-N 2.87Å; W634-C637 VanDerWaalsContact O-N 3.16Å; Y635-C637 VanDerWaalsContact C-N 3.3Å; Y635-C637 PolarHBondContact O-N 2.94Å; C637-G639 VanDerWaalsContact C-N 3.33Å; C637-G639 PolarHBondContact O-N 2.91Å; C637-F672 HydrophobicContact CB-CD1 4.02Å; C637-F672 HydrophobicContact CB-CE1 3.62Å; C637-F672 HydrophobicContact CB-CZ 3.99Å; C637-M680 HydrophobicContact CB-CE 3.96Å; C637-M680 VanDerWaalsContact SG-CE 3.58Å
638	T	94.6	Very high	93.5	Very high	35 Å²	35	33.1 Å²	33.1	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-30.9	175.9	59.8	0	0	0	0	112.9	W634 Y635 S640 V669 F672	W634-T638 HydrophobicContact CD2-CG2 3.94Å; W634-T638 HydrophobicContact CE3-CG2 3.92Å; W634-T638 HydrophobicContact CH2-CG2 3.72Å; W634-T638 HydrophobicContact CZ2-CG2 3.73Å; W634-T638 HydrophobicContact CZ3-CG2 3.81Å; W634-T638 WeakPolarHBondContact O-CG2 3.32Å; W634-T638 PolarHBondContact O-N 2.9Å; W634-T638 PolarHBondContact O-OG1 2.99Å; Y635-T638 PolarHBondContact O-N 2.96Å; Y635-T638 PolarHBondContact O-OG1 3.14Å; Y635-T638 VanDerWaalsContact O-OG1 3.09Å; T638-S640 PolarHBondContact O-N 2.84Å; T638-S640 PolarHBondContact OG1-N 3.06Å; T638-V669 HydrophobicContact CG2-CG2 4.01Å; T638-F672 HydrophobicContact CG2-CE1 3.62Å; T638-F672 HydrophobicContact CG2-CZ 3.49Å; T638-F672 VanDerWaalsContact CG2-CZ 3.49Å
639	G	94.2	Very high	92.7	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	17.1	-175.6	0	0	0	0	0	112.1	Y635 C637	Y635-G639 PolarHBondContact O-N 3.38Å; C637-G639 VanDerWaalsContact C-N 3.33Å; C637-G639 PolarHBondContact O-N 2.91Å
640	S	92	Very high	92	Very high	36 Å²	36	41.8 Å²	41.8	25%	0.252	22%	0.216	S	C	.	.			trans	-126.9	160.2	-172.7	178.6	0	0	0	0	109.5	Y635 T638 K642	Y635-S640 WeakPolarHBondContact CD1-O 3.44Å; T638-S640 PolarHBondContact O-N 2.84Å; T638-S640 PolarHBondContact OG1-N 3.06Å; S640-K642 WeakPolarHBondContact OG-CB 3.43Å; S640-K642 WeakPolarHBondContact OG-CG 3.4Å; S640-K642 PolarHBondContact OG-N 2.65Å; S640-K642 VanDerWaalsContact OG-N 3.1Å
641	V	92.8	Very high	91.3	Very high	31 Å²	31	47 Å²	47	19%	0.188	25%	0.252	C	S	.	.			trans	-109.1	9.9	171.7	-59.2	0	0	0	0	112.3	Y537 L540 K541 L575	Y537-V641 HydrophobicContact CD2-CB 3.83Å; Y537-V641 HydrophobicContact CD2-CG1 3.66Å; Y537-V641 HydrophobicContact CD2-CG2 4.47Å; Y537-V641 HydrophobicContact CE2-CB 3.49Å; Y537-V641 VanDerWaalsContact CE2-CB 3.49Å; Y537-V641 HydrophobicContact CE2-CG1 3.83Å; Y537-V641 HydrophobicContact CE2-CG2 3.79Å; Y537-V641 HydrophobicContact CG-CG1 4.12Å; Y537-V641 WeakPolarHBondContact O-CG1 3.35Å; L540-V641 HydrophobicContact CB-CG1 3.83Å; L540-V641 HydrophobicContact CD1-CG1 4.23Å; K541-V641 HydrophobicContact CD-CG2 4.31Å; K541-V641 HydrophobicContact CG-CG1 4.26Å; K541-V641 HydrophobicContact CG-CG2 3.77Å; L575-V641 HydrophobicContact CD1-CG1 4.25Å
642	K	91.6	Very high	90.8	Very high	162 Å²	162	49.5 Å²	49.5	70%	0.704	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-65.6	137.9	174.6	-70.9	-176.6	178.1	-175.3	0	109.5	Y635 S640	Y635-K642 WeakPolarHBondContact CE1-O 3.36Å; S640-K642 WeakPolarHBondContact OG-CB 3.43Å; S640-K642 WeakPolarHBondContact OG-CG 3.4Å; S640-K642 PolarHBondContact OG-N 2.65Å; S640-K642 VanDerWaalsContact OG-N 3.1Å
643	L	87.9	Confident	90	Very high	73 Å²	73	56.7 Å²	56.7	38%	0.382	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65	141.8	177.1	-163.4	73.7	0	0	0	109.4	I609 F647 E648	I609-L643 HydrophobicContact CD1-CD1 4.32Å; I609-L643 HydrophobicContact CG2-CD1 4.31Å; L643-F647 HydrophobicContact CD2-CB 4.19Å; L643-F647 HydrophobicContact CG-CB 4.17Å; L643-E648 HydrophobicContact CD2-CB 4.19Å
644	P	90.4	Very high	89.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-56	138.8	171.1	-23.8	31.8	0	0	0	111.3	W634 Y635 A646 F647 E648 P666 E667	W634-P644 HydrophobicContact CD2-CG 4.45Å; W634-P644 HydrophobicContact CE3-CG 4.06Å; W634-P644 HydrophobicContact CH2-CB 4.07Å; W634-P644 HydrophobicContact CH2-CG 3.79Å; W634-P644 HydrophobicContact CZ2-CB 4.2Å; W634-P644 HydrophobicContact CZ2-CG 4.18Å; W634-P644 HydrophobicContact CZ3-CG 3.73Å; Y635-P644 WeakPolarHBondContact OH-CD 3.48Å; P644-A646 PolarHBondContact O-N 3.26Å; P644-F647 HydrophobicContact CB-CD2 3.98Å; P644-F647 HydrophobicContact CB-CE2 4.48Å; P644-F647 HydrophobicContact CB-CG 4.36Å; P644-F647 HydrophobicContact CG-CD2 3.76Å; P644-F647 HydrophobicContact CG-CE2 4.13Å; P644-F647 PolarHBondContact O-N 2.87Å; P644-E648 PolarHBondContact O-N 2.95Å; P644-P666 HydrophobicContact CB-CB 3.88Å; P644-P666 HydrophobicContact CB-CG 4.34Å; P644-P666 HydrophobicContact CG-CB 3.85Å; P644-P666 HydrophobicContact CG-CG 3.97Å; P644-E667 WeakPolarHBondContact CA-OE1 3.48Å; P644-E667 WeakPolarHBondContact CB-OE2 3.34Å
645	E	89.3	Confident	88.9	Confident	119 Å²	119	65 Å²	65	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-58	-34.5	179.7	-68.6	-172	-177.6	0	0	111.9	F647 E648 E667	E645-F647 PolarHBondContact O-N 3Å; E645-E648 PolarHBondContact O-N 3.02Å; E645-E667 VanDerWaalsContact N-CD 3.34Å; E645-E667 PolarHBondContact N-OE1 2.81Å; E645-E667 PolarHBondContact N-OE2 2.73Å
646	A	85.9	Confident	88.4	Confident	34 Å²	34	65.3 Å²	65.3	28%	0.281	35%	0.347	S	S	.	.	H	α-helix	trans	-57.3	-29.2	175.4	0	0	0	0	0	112.8	P644 R665 E667	P644-A646 PolarHBondContact O-N 3.26Å; A646-R665 VanDerWaalsContact CB-O 3.23Å; A646-R665 WeakPolarHBondContact CB-O 3.48Å; A646-E667 PolarHBondContact N-OE2 3.09Å
647	F	88.1	Confident	87.7	Confident	5 Å²	5	66.7 Å²	66.7	2%	0.022	35%	0.352	C	S	.	.	H	α-helix	trans	-101.9	-25.9	-177.6	-58.1	-22.9	0	0	0	112.9	I609 L643 P644 E645 K649 C650 L656 V660 P666	I609-F647 HydrophobicContact CG2-CD2 4.29Å; L643-F647 HydrophobicContact CD2-CB 4.19Å; L643-F647 HydrophobicContact CG-CB 4.17Å; P644-F647 HydrophobicContact CB-CD2 3.98Å; P644-F647 HydrophobicContact CB-CE2 4.48Å; P644-F647 HydrophobicContact CB-CG 4.36Å; P644-F647 HydrophobicContact CG-CD2 3.76Å; P644-F647 HydrophobicContact CG-CE2 4.13Å; P644-F647 PolarHBondContact O-N 2.87Å; E645-F647 PolarHBondContact O-N 3Å; F647-K649 PolarHBondContact O-N 2.89Å; F647-C650 VanDerWaalsContact O-CB 3.28Å; F647-C650 WeakPolarHBondContact O-CB 3.25Å; F647-C650 PolarHBondContact O-N 3.06Å; F647-L656 HydrophobicContact CB-CD1 3.91Å; F647-L656 HydrophobicContact CD1-CD1 3.48Å; F647-L656 VanDerWaalsContact CD1-CD1 3.48Å; F647-L656 HydrophobicContact CD2-CD1 4.48Å; F647-L656 HydrophobicContact CE1-CD1 4.1Å; F647-L656 HydrophobicContact CG-CD1 3.72Å; F647-V660 HydrophobicContact CE1-CG2 4.24Å; F647-P666 HydrophobicContact CE2-CG 3.77Å; F647-P666 HydrophobicContact CZ-CG 3.99Å
648	E	85.1	Confident	87.2	Confident	136 Å²	136	69.8 Å²	69.8	64%	0.636	37%	0.367	S	S	*	.	H	α-helix	trans	-60.7	-30.9	178.2	-168.9	172	-146	0	0	113.1	L643 P644 E645 C650	L643-E648 HydrophobicContact CD2-CB 4.19Å; P644-E648 PolarHBondContact O-N 2.95Å; E645-E648 PolarHBondContact O-N 3.02Å; E648-C650 PolarHBondContact O-N 2.87Å
649	K	79.8	Confident	86.9	Confident	162 Å²	162	70 Å²	70	70%	0.704	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.4	177.3	-61.6	174.6	-172.7	170.9	0	113.7	F647 Q655	F647-K649 PolarHBondContact O-N 2.89Å; K649-Q655 PolarHBondContact O-NE2 3.3Å
650	C	84.3	Confident	86.6	Confident	24 Å²	24	69.1 Å²	69.1	16%	0.162	36%	0.357	C	S	.	.			trans	-88.1	116.7	-179.2	-60.8	0	0	0	0	110.7	F647 E648 L656 N659	F647-C650 VanDerWaalsContact O-CB 3.28Å; F647-C650 WeakPolarHBondContact O-CB 3.25Å; F647-C650 PolarHBondContact O-N 3.06Å; E648-C650 PolarHBondContact O-N 2.87Å; C650-L656 HydrophobicContact CB-CB 3.89Å; C650-L656 HydrophobicContact CB-CD1 4.46Å; C650-N659 PolarHBondContact SG-ND2 2.67Å; C650-N659 VanDerWaalsContact SG-ND2 3.38Å
651	S	81.4	Confident	86.3	Confident	108 Å²	108	73 Å²	73	76%	0.755	37%	0.369	S	S	*	.			trans	-80.6	-17.6	-177.9	65.4	0	0	0	0	114.1	Q655	S651-Q655 PolarHBondContact OG-OE1 3.25Å
652	S	86.3	Confident	86	Confident	55 Å²	55	79.9 Å²	79.9	39%	0.385	40%	0.396	S	S	.	.	S	Bend	trans	-144.7	163.1	-179.3	77.4	0	0	0	0	112.4	D654 Q655 L656	S652-D654 VanDerWaalsContact C-N 3.27Å; S652-D654 PolarHBondContact O-N 2.84Å; S652-D654 PolarHBondContact OG-N 3.4Å; S652-Q655 PolarHBondContact O-N 2.77Å; S652-Q655 PolarHBondContact OG-N 3.25Å; S652-Q655 VanDerWaalsContact OG-N 3.09Å; S652-L656 PolarHBondContact O-N 2.82Å
653	K	82.1	Confident	85.9	Confident	151 Å²	151	74.3 Å²	74.3	66%	0.657	39%	0.385	S	S	*	.	H	α-helix	trans	-58.9	-39.6	173.4	-66.3	-177.2	179	179.3	0	111.6	P608 L656 W657	P608-K653 HydrophobicContact CG-CD 3.88Å; P608-K653 HydrophobicContact CG-CG 4.03Å; K653-L656 PolarHBondContact O-N 3.28Å; K653-W657 WeakPolarHBondContact O-CB 3.41Å; K653-W657 PolarHBondContact O-N 2.98Å
654	D	83.8	Confident	86	Confident	116 Å²	116	72.7 Å²	72.7	62%	0.62	38%	0.38	S	S	*	.	H	α-helix	trans	-69	-34.7	179.8	-60.1	-37.9	0	0	0	112.3	S652 W657 N658	S652-D654 VanDerWaalsContact C-N 3.27Å; S652-D654 PolarHBondContact O-N 2.84Å; S652-D654 PolarHBondContact OG-N 3.4Å; D654-W657 WeakPolarHBondContact O-CB 3.24Å; D654-N658 WeakPolarHBondContact O-CB 3.46Å; D654-N658 VanDerWaalsContact O-CG 3.29Å; D654-N658 PolarHBondContact O-N 3Å; D654-N658 PolarHBondContact O-ND2 3.07Å
655	Q	87	Confident	86.2	Confident	68 Å²	68	74.6 Å²	74.6	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-69.6	-46.7	175.3	-170.8	-174.6	-8.8	0	0	111.2	K649 S651 S652 W657 N658 N659	K649-Q655 PolarHBondContact O-NE2 3.3Å; S651-Q655 PolarHBondContact OG-OE1 3.25Å; S652-Q655 PolarHBondContact O-N 2.77Å; S652-Q655 PolarHBondContact OG-N 3.25Å; S652-Q655 VanDerWaalsContact OG-N 3.09Å; Q655-W657 PolarHBondContact O-N 2.81Å; Q655-N658 PolarHBondContact O-N 3.4Å; Q655-N659 WeakPolarHBondContact O-CB 3.41Å; Q655-N659 VanDerWaalsContact O-CG 3.27Å; Q655-N659 PolarHBondContact O-N 3.33Å
656	L	86.7	Confident	86.4	Confident	14 Å²	14	69.1 Å²	69.1	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-54.8	-46.3	174	174.1	64.6	0	0	0	110.6	P608 I609 F647 C650 S652 K653 N659 V660	P608-L656 HydrophobicContact CB-CD2 3.86Å; I609-L656 HydrophobicContact CB-CD2 4.38Å; I609-L656 HydrophobicContact CG2-CD1 4.43Å; I609-L656 HydrophobicContact CG2-CD2 3.45Å; I609-L656 VanDerWaalsContact CG2-CD2 3.45Å; F647-L656 HydrophobicContact CB-CD1 3.91Å; F647-L656 HydrophobicContact CD1-CD1 3.48Å; F647-L656 VanDerWaalsContact CD1-CD1 3.48Å; F647-L656 HydrophobicContact CD2-CD1 4.48Å; F647-L656 HydrophobicContact CE1-CD1 4.1Å; F647-L656 HydrophobicContact CG-CD1 3.72Å; C650-L656 HydrophobicContact CB-CB 3.89Å; C650-L656 HydrophobicContact CB-CD1 4.46Å; S652-L656 PolarHBondContact O-N 2.82Å; K653-L656 PolarHBondContact O-N 3.28Å; L656-N659 WeakPolarHBondContact O-CB 3.31Å; L656-N659 PolarHBondContact O-N 2.76Å; L656-V660 HydrophobicContact CD1-CG2 4.33Å; L656-V660 WeakPolarHBondContact O-CG2 3.3Å; L656-V660 PolarHBondContact O-N 3.31Å
657	W	82.6	Confident	86.8	Confident	31 Å²	31	70.1 Å²	70.1	12%	0.117	36%	0.361	C	S	.	.	H	α-helix	trans	-58	-54	177.7	162.8	-120.7	0	0	0	113.5	P613 F616 K653 D654 Q655 N659 V660 K661	P613-W657 WeakPolarHBondContact O-CH2 3.38Å; F616-W657 HydrophobicContact CB-CH2 3.23Å; F616-W657 HydrophobicContact CB-CZ2 3.14Å; F616-W657 HydrophobicContact CB-CZ3 4.16Å; F616-W657 AromaticContact CD1-CD2 3.92Å; F616-W657 HydrophobicContact CD1-CD2 3.92Å; F616-W657 AromaticContact CD1-CE2 3.7Å; F616-W657 HydrophobicContact CD1-CE3 4.08Å; F616-W657 AromaticContact CD1-CH2 3.84Å; F616-W657 HydrophobicContact CD1-CH2 3.84Å; F616-W657 AromaticContact CD1-CZ2 3.56Å; F616-W657 HydrophobicContact CD1-CZ2 3.56Å; F616-W657 HydrophobicContact CD1-CZ3 4.09Å; F616-W657 HydrophobicContact CD2-CD2 4.16Å; F616-W657 AromaticContact CD2-CE3 3.52Å; F616-W657 HydrophobicContact CD2-CE3 3.52Å; F616-W657 AromaticContact CD2-CH2 2.9Å; F616-W657 HydrophobicContact CD2-CH2 2.9Å; F616-W657 AromaticContact CD2-CZ2 3.57Å; F616-W657 HydrophobicContact CD2-CZ2 3.57Å; F616-W657 AromaticContact CD2-CZ3 2.87Å; F616-W657 HydrophobicContact CD2-CZ3 2.87Å; F616-W657 AromaticContact CE1-CD2 3.74Å; F616-W657 HydrophobicContact CE1-CD2 3.74Å; F616-W657 AromaticContact CE1-CE3 3.79Å; F616-W657 HydrophobicContact CE1-CE3 3.79Å; F616-W657 HydrophobicContact CE1-CG 4.19Å; F616-W657 HydrophobicContact CE1-CH2 4.37Å; F616-W657 HydrophobicContact CE1-CZ2 4.24Å; F616-W657 HydrophobicContact CE1-CZ3 4.16Å; F616-W657 AromaticContact CE2-CD2 3.99Å; F616-W657 HydrophobicContact CE2-CD2 3.99Å; F616-W657 AromaticContact CE2-CE3 3.17Å; F616-W657 HydrophobicContact CE2-CE3 3.17Å; F616-W657 AromaticContact CE2-CH2 3.56Å; F616-W657 HydrophobicContact CE2-CH2 3.56Å; F616-W657 HydrophobicContact CE2-CZ2 4.23Å; F616-W657 AromaticContact CE2-CZ3 2.96Å; F616-W657 HydrophobicContact CE2-CZ3 2.96Å; F616-W657 HydrophobicContact CG-CD2 4.1Å; F616-W657 AromaticContact CG-CE2 3.77Å; F616-W657 AromaticContact CG-CE3 3.94Å; F616-W657 HydrophobicContact CG-CE3 3.94Å; F616-W657 AromaticContact CG-CH2 3.04Å; F616-W657 HydrophobicContact CG-CH2 3.04Å; F616-W657 AromaticContact CG-CZ2 3.14Å; F616-W657 HydrophobicContact CG-CZ2 3.14Å; F616-W657 AromaticContact CG-CZ3 3.47Å; F616-W657 HydrophobicContact CG-CZ3 3.47Å; F616-W657 VanDerWaalsContact CG-CZ3 3.47Å; F616-W657 AromaticContact CZ-CD2 3.76Å; F616-W657 HydrophobicContact CZ-CD2 3.76Å; F616-W657 AromaticContact CZ-CE3 3.31Å; F616-W657 HydrophobicContact CZ-CE3 3.31Å; F616-W657 HydrophobicContact CZ-CG 4.37Å; F616-W657 HydrophobicContact CZ-CH2 4.23Å; F616-W657 AromaticContact CZ-CZ3 3.63Å; F616-W657 HydrophobicContact CZ-CZ3 3.63Å; K653-W657 WeakPolarHBondContact O-CB 3.41Å; K653-W657 PolarHBondContact O-N 2.98Å; D654-W657 WeakPolarHBondContact O-CB 3.24Å; Q655-W657 PolarHBondContact O-N 2.81Å; W657-N659 PolarHBondContact O-N 3.38Å; W657-V660 PolarHBondContact O-N 2.9Å; W657-V660 VanDerWaalsContact O-N 3.13Å; W657-K661 HydrophobicContact CD2-CD 4.18Å; W657-K661 HydrophobicContact CD2-CG 4.27Å; W657-K661 VanDerWaalsContact CE2-CD 3.48Å; W657-K661 HydrophobicContact CE3-CG 4.21Å; W657-K661 HydrophobicContact CH2-CD 3.69Å; W657-K661 HydrophobicContact CH2-CG 3.55Å; W657-K661 HydrophobicContact CZ2-CD 3.31Å; W657-K661 HydrophobicContact CZ2-CG 3.75Å; W657-K661 HydrophobicContact CZ3-CD 4.31Å; W657-K661 HydrophobicContact CZ3-CG 3.81Å; W657-K661 PolarHBondContact O-N 2.91Å
658	N	85.1	Confident	87.1	Confident	81 Å²	81	75.3 Å²	75.3	43%	0.433	38%	0.38	S	S	.	.	H	α-helix	trans	-59.5	-34.1	179.5	-76	-27.3	0	0	0	111.7	D654 Q655 K662	D654-N658 WeakPolarHBondContact O-CB 3.46Å; D654-N658 VanDerWaalsContact O-CG 3.29Å; D654-N658 PolarHBondContact O-N 3Å; D654-N658 PolarHBondContact O-ND2 3.07Å; Q655-N658 PolarHBondContact O-N 3.4Å; N658-K662 VanDerWaalsContact O-CG 3.25Å; N658-K662 WeakPolarHBondContact O-CG 3.4Å; N658-K662 PolarHBondContact O-N 3.39Å; N658-K662 VanDerWaalsContact O-N 3.12Å
659	N	88.2	Confident	87.4	Confident	41 Å²	41	70.7 Å²	70.7	22%	0.219	36%	0.361	C	S	.	.	H	α-helix	trans	-69.5	-46.6	175	-72.1	-5.5	0	0	0	111.6	C650 Q655 L656 W657 K661 K662 G663 S664	C650-N659 PolarHBondContact SG-ND2 2.67Å; C650-N659 VanDerWaalsContact SG-ND2 3.38Å; Q655-N659 WeakPolarHBondContact O-CB 3.41Å; Q655-N659 VanDerWaalsContact O-CG 3.27Å; Q655-N659 PolarHBondContact O-N 3.33Å; L656-N659 WeakPolarHBondContact O-CB 3.31Å; L656-N659 PolarHBondContact O-N 2.76Å; W657-N659 PolarHBondContact O-N 3.38Å; N659-K661 VanDerWaalsContact C-N 3.3Å; N659-K661 PolarHBondContact O-N 3.35Å; N659-K662 CarbonylContact O-C 3.6Å; N659-K662 WeakPolarHBondContact O-CA 3.44Å; N659-K662 PolarHBondContact O-N 2.86Å; N659-G663 PolarHBondContact O-N 3.2Å; N659-S664 VanDerWaalsContact O-CB 3.24Å; N659-S664 WeakPolarHBondContact O-CB 3.23Å; N659-S664 PolarHBondContact O-N 3.5Å; N659-S664 PolarHBondContact O-OG 3.14Å; N659-S664 VanDerWaalsContact O-OG 3.14Å
660	V	88.4	Confident	87.8	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.03	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-41.9	175.7	169.6	0	0	0	0	111.4	P613 F647 L656 W657 K662 G663 R665	P613-V660 HydrophobicContact CB-CG1 4.46Å; F647-V660 HydrophobicContact CE1-CG2 4.24Å; L656-V660 HydrophobicContact CD1-CG2 4.33Å; L656-V660 WeakPolarHBondContact O-CG2 3.3Å; L656-V660 PolarHBondContact O-N 3.31Å; W657-V660 PolarHBondContact O-N 2.9Å; W657-V660 VanDerWaalsContact O-N 3.13Å; V660-K662 VanDerWaalsContact C-N 3.32Å; V660-K662 PolarHBondContact O-N 3.13Å; V660-G663 PolarHBondContact O-N 3.12Å; V660-R665 PolarHBondContact O-NH1 3.03Å
661	K	84.8	Confident	87.9	Confident	118 Å²	118	73.6 Å²	73.6	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-60.1	-37.4	173.1	-94.6	-176.2	154.1	165.4	0	113.6	W657 N659 G663	W657-K661 HydrophobicContact CD2-CD 4.18Å; W657-K661 HydrophobicContact CD2-CG 4.27Å; W657-K661 VanDerWaalsContact CE2-CD 3.48Å; W657-K661 HydrophobicContact CE3-CG 4.21Å; W657-K661 HydrophobicContact CH2-CD 3.69Å; W657-K661 HydrophobicContact CH2-CG 3.55Å; W657-K661 HydrophobicContact CZ2-CD 3.31Å; W657-K661 HydrophobicContact CZ2-CG 3.75Å; W657-K661 HydrophobicContact CZ3-CD 4.31Å; W657-K661 HydrophobicContact CZ3-CG 3.81Å; W657-K661 PolarHBondContact O-N 2.91Å; N659-K661 VanDerWaalsContact C-N 3.3Å; N659-K661 PolarHBondContact O-N 3.35Å; K661-G663 PolarHBondContact O-N 3.24Å
662	K	88.3	Confident	88.4	Confident	174 Å²	174	69.1 Å²	69.1	76%	0.757	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	1.3	175.5	-71.7	173.1	-178.2	-178.4	0	113.2	N658 N659 V660	N658-K662 VanDerWaalsContact O-CG 3.25Å; N658-K662 WeakPolarHBondContact O-CG 3.4Å; N658-K662 PolarHBondContact O-N 3.39Å; N658-K662 VanDerWaalsContact O-N 3.12Å; N659-K662 CarbonylContact O-C 3.6Å; N659-K662 WeakPolarHBondContact O-CA 3.44Å; N659-K662 PolarHBondContact O-N 2.86Å; V660-K662 VanDerWaalsContact C-N 3.32Å; V660-K662 PolarHBondContact O-N 3.13Å
663	G	88.9	Confident	88.8	Confident	45 Å²	45	68.4 Å²	68.4	46%	0.464	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	8.3	178.5	0	0	0	0	0	114.8	N659 V660 K661 R665	N659-G663 PolarHBondContact O-N 3.2Å; V660-G663 PolarHBondContact O-N 3.12Å; K661-G663 PolarHBondContact O-N 3.24Å; G663-R665 PolarHBondContact O-N 3.35Å
664	S	90.9	Very high	89.4	Confident	40 Å²	40	65.1 Å²	65.1	28%	0.28	34%	0.34	S	S	.	.			trans	-62.7	132.2	174	-59.1	0	0	0	0	111	N659	N659-S664 VanDerWaalsContact O-CB 3.24Å; N659-S664 WeakPolarHBondContact O-CB 3.23Å; N659-S664 PolarHBondContact O-N 3.5Å; N659-S664 PolarHBondContact O-OG 3.14Å; N659-S664 VanDerWaalsContact O-OG 3.14Å
665	R	93.4	Very high	90	Very high	39 Å²	39	63.2 Å²	63.2	15%	0.147	33%	0.327	C	S	.	.			trans	-137.9	165.4	179.8	-64.5	-62.4	179.3	-85.3	-2.8	109.2	Y627 A646 V660 G663 W684	Y627-R665 PolarHBondContact OH-NE 3.08Å; A646-R665 VanDerWaalsContact CB-O 3.23Å; A646-R665 WeakPolarHBondContact CB-O 3.48Å; V660-R665 PolarHBondContact O-NH1 3.03Å; G663-R665 PolarHBondContact O-N 3.35Å; R665-W684 HydrophobicContact CB-CZ2 4.32Å; R665-W684 HydrophobicContact CG-CG 4.42Å; R665-W684 PolarHBondContact NE-O 3.21Å; R665-W684 PolarHBondContact NH2-O 2.89Å
666	P	93.9	Very high	90.5	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.026	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-54.5	145.6	171.3	-25.4	36.6	0	0	0	112	I631 W634 P644 F647 W684	I631-P666 HydrophobicContact CD1-CG 3.82Å; W634-P666 HydrophobicContact CD2-CB 3.9Å; W634-P666 HydrophobicContact CG-CB 3.83Å; W634-P666 HydrophobicContact CG-CG 4.37Å; W634-P666 HydrophobicContact CZ2-CB 4.34Å; P644-P666 HydrophobicContact CB-CB 3.88Å; P644-P666 HydrophobicContact CB-CG 4.34Å; P644-P666 HydrophobicContact CG-CB 3.85Å; P644-P666 HydrophobicContact CG-CG 3.97Å; F647-P666 HydrophobicContact CE2-CG 3.77Å; F647-P666 HydrophobicContact CZ-CG 3.99Å; P666-W684 HydrophobicContact CB-CH2 3.88Å; P666-W684 HydrophobicContact CB-CZ3 4.02Å; P666-W684 HydrophobicContact CG-CE3 4.31Å; P666-W684 HydrophobicContact CG-CH2 3.93Å; P666-W684 HydrophobicContact CG-CZ3 3.59Å
667	E	93.4	Very high	91	Very high	55 Å²	55	60.6 Å²	60.6	26%	0.257	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70.2	151.9	179.1	64.3	-76.4	175.1	0	0	113	W634 P644 E645 A646 V669	W634-E667 PolarHBondContact NE1-O 3.2Å; P644-E667 WeakPolarHBondContact CA-OE1 3.48Å; P644-E667 WeakPolarHBondContact CB-OE2 3.34Å; E645-E667 VanDerWaalsContact N-CD 3.34Å; E645-E667 PolarHBondContact N-OE1 2.81Å; E645-E667 PolarHBondContact N-OE2 2.73Å; A646-E667 PolarHBondContact N-OE2 3.09Å; E667-V669 PolarHBondContact O-N 3.3Å
668	R	94.4	Very high	91.7	Very high	115 Å²	115	64.2 Å²	64.2	43%	0.434	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-75.3	119	169.1	-173.1	175.7	172.1	167.8	0.3	109.7	F672 E674 W677	R668-F672 HydrophobicContact CG-CD2 4.29Å; R668-E674 IonicContact CZ-OE2 2.93Å; R668-E674 IonicContact NH1-OE1 2.78Å; R668-E674 IonicContact NH1-OE2 2.84Å; R668-E674 PolarHBondContact NH1-OE2 2.83Å; R668-E674 IonicContact NH2-OE2 3.68Å; R668-E674 PolarHBondContact NH2-OE2 2.91Å; R668-W677 VanDerWaalsContact CA-CZ3 3.49Å; R668-W677 HydrophobicContact CB-CD2 3.98Å; R668-W677 HydrophobicContact CB-CE3 4Å; R668-W677 HydrophobicContact CB-CH2 3.61Å; R668-W677 HydrophobicContact CB-CZ2 3.61Å; R668-W677 HydrophobicContact CB-CZ3 3.81Å; R668-W677 HydrophobicContact CG-CD2 3.66Å; R668-W677 HydrophobicContact CG-CE3 3.87Å; R668-W677 HydrophobicContact CG-CG 4.14Å; R668-W677 HydrophobicContact CG-CH2 4.37Å; R668-W677 HydrophobicContact CG-CZ2 4.23Å; R668-W677 HydrophobicContact CG-CZ3 4.2Å
669	V	91.9	Very high	92.2	Very high	38 Å²	38	61 Å²	61	23%	0.23	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-84.6	138.1	174.6	-174.6	0	0	0	0	109.4	W634 T638 E667 T671 F672	W634-V669 HydrophobicContact CZ2-CG2 4.13Å; T638-V669 HydrophobicContact CG2-CG2 4.01Å; E667-V669 PolarHBondContact O-N 3.3Å; V669-T671 WeakPolarHBondContact CG1-OG1 3.47Å; V669-T671 PolarHBondContact O-N 3.38Å; V669-F672 HydrophobicContact CB-CD1 3.94Å; V669-F672 HydrophobicContact CB-CD2 4.3Å; V669-F672 HydrophobicContact CB-CE1 3.79Å; V669-F672 HydrophobicContact CB-CE2 4.18Å; V669-F672 HydrophobicContact CB-CG 4.22Å; V669-F672 HydrophobicContact CB-CZ 3.93Å; V669-F672 HydrophobicContact CG2-CE1 4.05Å; V669-F672 HydrophobicContact CG2-CE2 4.16Å; V669-F672 HydrophobicContact CG2-CZ 3.79Å; V669-F672 VanDerWaalsContact O-CB 3.31Å; V669-F672 WeakPolarHBondContact O-CB 3.5Å; V669-F672 WeakPolarHBondContact O-CG 3.39Å; V669-F672 PolarHBondContact O-N 3.44Å
670	P	88.1	Confident	92.6	Very high	130 Å²	130	59.1 Å²	59.1	84%	0.844	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.1	-177.1	-28.7	35.6	0	0	0	115.4	F672	P670-F672 PolarHBondContact O-N 2.92Å
671	T	86.8	Confident	93	Very high	118 Å²	118	63 Å²	63	72%	0.724	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.2	179	56.3	0	0	0	0	113.7	V669	V669-T671 WeakPolarHBondContact CG1-OG1 3.47Å; V669-T671 PolarHBondContact O-N 3.38Å
672	F	92.3	Very high	93.6	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.057	31%	0.313	C	S	.	.			trans	-76.9	130.5	-179.1	-73.1	-4.4	0	0	0	112	W634 C637 T638 R668 V669 P670 W677 M680	W634-F672 AromaticContact CD1-CE2 3.53Å; W634-F672 AromaticContact CD1-CZ 3.72Å; W634-F672 HydrophobicContact CD2-CZ 4.46Å; W634-F672 HydrophobicContact CG-CE2 4.44Å; W634-F672 HydrophobicContact CG-CZ 4.25Å; W634-F672 AromaticContact NE1-CE2 3.53Å; W634-F672 AromaticContact NE1-CZ 3.63Å; C637-F672 HydrophobicContact CB-CD1 4.02Å; C637-F672 HydrophobicContact CB-CE1 3.62Å; C637-F672 HydrophobicContact CB-CZ 3.99Å; T638-F672 HydrophobicContact CG2-CE1 3.62Å; T638-F672 HydrophobicContact CG2-CZ 3.49Å; T638-F672 VanDerWaalsContact CG2-CZ 3.49Å; R668-F672 HydrophobicContact CG-CD2 4.29Å; V669-F672 HydrophobicContact CB-CD1 3.94Å; V669-F672 HydrophobicContact CB-CD2 4.3Å; V669-F672 HydrophobicContact CB-CE1 3.79Å; V669-F672 HydrophobicContact CB-CE2 4.18Å; V669-F672 HydrophobicContact CB-CG 4.22Å; V669-F672 HydrophobicContact CB-CZ 3.93Å; V669-F672 HydrophobicContact CG2-CE1 4.05Å; V669-F672 HydrophobicContact CG2-CE2 4.16Å; V669-F672 HydrophobicContact CG2-CZ 3.79Å; V669-F672 VanDerWaalsContact O-CB 3.31Å; V669-F672 WeakPolarHBondContact O-CB 3.5Å; V669-F672 WeakPolarHBondContact O-CG 3.39Å; V669-F672 PolarHBondContact O-N 3.44Å; P670-F672 PolarHBondContact O-N 2.92Å; F672-W677 HydrophobicContact CD2-CD2 4.48Å; F672-W677 AromaticContact CD2-CE3 3.54Å; F672-W677 HydrophobicContact CD2-CE3 3.54Å; F672-W677 HydrophobicContact CD2-CZ3 4.05Å; F672-W677 AromaticContact CE2-CE3 3.84Å; F672-W677 HydrophobicContact CE2-CE3 3.84Å; F672-W677 AromaticContact CE2-CZ3 3.93Å; F672-W677 HydrophobicContact CE2-CZ3 3.93Å; F672-M680 HydrophobicContact CD2-CE 4.23Å; F672-M680 HydrophobicContact CD2-SD 4.44Å; F672-M680 HydrophobicContact CE2-CE 4.1Å; F672-M680 HydrophobicContact CE2-SD 4.02Å
673	D	94.7	Very high	94	Very high	41 Å²	41	50.8 Å²	50.8	22%	0.219	28%	0.277	C	S	.	.			trans	-60.5	142.2	163.4	177.5	-95.2	0	0	0	110.8	E675 C676 W677 R707 L708	D673-E675 WeakPolarHBondContact OD1-CB 3.45Å; D673-E675 PolarHBondContact OD1-N 2.81Å; D673-C676 HydrophobicContact CB-CB 4.11Å; D673-C676 WeakPolarHBondContact O-CB 3.39Å; D673-C676 PolarHBondContact O-N 3.34Å; D673-C676 PolarHBondContact OD1-N 2.8Å; D673-W677 PolarHBondContact O-N 3.5Å; D673-R707 IonicContact OD1-CZ 3.58Å; D673-R707 IonicContact OD1-NH1 3.98Å; D673-R707 IonicContact OD1-NH2 2.88Å; D673-R707 PolarHBondContact OD1-NH2 2.83Å; D673-R707 IonicContact OD2-CZ 2.8Å; D673-R707 IonicContact OD2-NH1 3.28Å; D673-R707 PolarHBondContact OD2-NH1 3Å; D673-R707 IonicContact OD2-NH2 3.85Å; D673-R707 PolarHBondContact OD2-NH2 2.82Å; D673-R707 VanDerWaalsContact OD2-NH2 3.09Å; D673-L708 HydrophobicContact CB-CD1 4.08Å; D673-L708 HydrophobicContact CB-CD2 4.44Å
674	E	94.8	Very high	94.4	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-42.4	-174.6	-175.9	61.5	-146.6	0	0	112.2	R668 W677 Q678	R668-E674 IonicContact CZ-OE2 2.93Å; R668-E674 IonicContact NH1-OE1 2.78Å; R668-E674 IonicContact NH1-OE2 2.84Å; R668-E674 PolarHBondContact NH1-OE2 2.83Å; R668-E674 IonicContact NH2-OE2 3.68Å; R668-E674 PolarHBondContact NH2-OE2 2.91Å; E674-W677 PolarHBondContact O-N 3.43Å; E674-Q678 WeakPolarHBondContact O-CG 3.28Å; E674-Q678 PolarHBondContact O-N 3.47Å; E674-Q678 PolarHBondContact OE1-NE2 3.22Å
675	E	95.8	Very high	94.6	Very high	75 Å²	75	49.7 Å²	49.7	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-70.1	-36.6	179.7	-64.2	174.9	-174.5	0	0	111	D673 W677 Q678 L679 I704 R707	D673-E675 WeakPolarHBondContact OD1-CB 3.45Å; D673-E675 PolarHBondContact OD1-N 2.81Å; E675-W677 VanDerWaalsContact C-N 3.32Å; E675-W677 PolarHBondContact O-N 3.03Å; E675-Q678 PolarHBondContact O-N 3.49Å; E675-L679 VanDerWaalsContact O-CB 3.3Å; E675-L679 WeakPolarHBondContact O-CB 3.41Å; E675-L679 PolarHBondContact O-N 3.31Å; E675-I704 HydrophobicContact CB-CD1 3.88Å; E675-I704 HydrophobicContact CB-CG1 3.73Å; E675-I704 WeakPolarHBondContact OE2-CG1 3.42Å; E675-R707 VanDerWaalsContact CD-NE 3.35Å; E675-R707 IonicContact OE1-CZ 3.61Å; E675-R707 IonicContact OE1-NE 3.72Å; E675-R707 PolarHBondContact OE1-NE 3.31Å; E675-R707 IonicContact OE1-NH2 2.81Å; E675-R707 IonicContact OE2-CZ 3.82Å; E675-R707 VanDerWaalsContact OE2-CZ 3.26Å; E675-R707 IonicContact OE2-NE 2.85Å; E675-R707 PolarHBondContact OE2-NE 3.45Å; E675-R707 IonicContact OE2-NH2 2.84Å; E675-R707 PolarHBondContact OE2-NH2 2.77Å
676	C	96.6	Very high	94.6	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.034	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-45.5	171	-73.8	0	0	0	0	111.5	F633 D673 L679 M680 I704	F633-C676 HydrophobicContact CE1-CB 4.28Å; F633-C676 HydrophobicContact CZ-CB 4.27Å; D673-C676 HydrophobicContact CB-CB 4.11Å; D673-C676 WeakPolarHBondContact O-CB 3.39Å; D673-C676 PolarHBondContact O-N 3.34Å; D673-C676 PolarHBondContact OD1-N 2.8Å; C676-L679 PolarHBondContact O-N 3.03Å; C676-M680 HydrophobicContact CB-CE 4.32Å; C676-M680 VanDerWaalsContact O-CE 3.25Å; C676-M680 WeakPolarHBondContact O-CE 3.32Å; C676-M680 PolarHBondContact O-N 3.03Å; C676-I704 WeakPolarHBondContact SG-CG2 3.23Å
677	W	97.2	Very high	94.5	Very high	22 Å²	22	53.1 Å²	53.1	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-47.7	179.8	-178.9	-104.8	0	0	0	112	R668 F672 D673 E674 E675 L679 M680 E681 W684	R668-W677 VanDerWaalsContact CA-CZ3 3.49Å; R668-W677 HydrophobicContact CB-CD2 3.98Å; R668-W677 HydrophobicContact CB-CE3 4Å; R668-W677 HydrophobicContact CB-CH2 3.61Å; R668-W677 HydrophobicContact CB-CZ2 3.61Å; R668-W677 HydrophobicContact CB-CZ3 3.81Å; R668-W677 HydrophobicContact CG-CD2 3.66Å; R668-W677 HydrophobicContact CG-CE3 3.87Å; R668-W677 HydrophobicContact CG-CG 4.14Å; R668-W677 HydrophobicContact CG-CH2 4.37Å; R668-W677 HydrophobicContact CG-CZ2 4.23Å; R668-W677 HydrophobicContact CG-CZ3 4.2Å; F672-W677 HydrophobicContact CD2-CD2 4.48Å; F672-W677 AromaticContact CD2-CE3 3.54Å; F672-W677 HydrophobicContact CD2-CE3 3.54Å; F672-W677 HydrophobicContact CD2-CZ3 4.05Å; F672-W677 AromaticContact CE2-CE3 3.84Å; F672-W677 HydrophobicContact CE2-CE3 3.84Å; F672-W677 AromaticContact CE2-CZ3 3.93Å; F672-W677 HydrophobicContact CE2-CZ3 3.93Å; D673-W677 PolarHBondContact O-N 3.5Å; E674-W677 PolarHBondContact O-N 3.43Å; E675-W677 VanDerWaalsContact C-N 3.32Å; E675-W677 PolarHBondContact O-N 3.03Å; W677-L679 VanDerWaalsContact C-N 3.3Å; W677-L679 PolarHBondContact O-N 3.39Å; W677-M680 HydrophobicContact CE3-CE 4.32Å; W677-M680 HydrophobicContact CE3-CG 3.95Å; W677-M680 HydrophobicContact CE3-SD 3.48Å; W677-M680 HydrophobicContact CZ3-CG 4.36Å; W677-M680 HydrophobicContact CZ3-SD 3.74Å; W677-M680 WeakPolarHBondContact O-CG 3.47Å; W677-M680 PolarHBondContact O-N 3.38Å; W677-E681 HydrophobicContact CD2-CG 4.27Å; W677-E681 HydrophobicContact CH2-CG 4.48Å; W677-E681 HydrophobicContact CZ2-CG 3.8Å; W677-E681 VanDerWaalsContact CZ2-OE1 3.31Å; W677-E681 WeakPolarHBondContact CZ2-OE1 3.42Å; W677-E681 PolarHBondContact NE1-OE1 2.95Å; W677-E681 PolarHBondContact NE1-OE2 3.31Å; W677-E681 WeakPolarHBondContact O-CB 3.18Å; W677-E681 PolarHBondContact O-N 2.85Å; W677-W684 HydrophobicContact CH2-CH2 4.19Å; W677-W684 AromaticContact CH2-CZ2 3.79Å; W677-W684 HydrophobicContact CH2-CZ2 3.79Å; W677-W684 HydrophobicContact CZ2-CZ2 4.47Å; W677-W684 AromaticContact CZ3-CH2 3.97Å; W677-W684 HydrophobicContact CZ3-CH2 3.97Å; W677-W684 AromaticContact CZ3-CZ2 3.95Å; W677-W684 HydrophobicContact CZ3-CZ2 3.95Å
678	Q	96.9	Very high	94.5	Very high	107 Å²	107	52.1 Å²	52.1	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-41	177.1	-70.9	173.9	6.9	0	0	112	E674 E675 E681 A682	E674-Q678 WeakPolarHBondContact O-CG 3.28Å; E674-Q678 PolarHBondContact O-N 3.47Å; E674-Q678 PolarHBondContact OE1-NE2 3.22Å; E675-Q678 PolarHBondContact O-N 3.49Å; Q678-E681 PolarHBondContact O-N 3.31Å; Q678-A682 WeakPolarHBondContact O-CB 3.45Å; Q678-A682 PolarHBondContact O-N 2.91Å
679	L	97.2	Very high	94.4	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-45.5	178.4	-176.3	60.7	0	0	0	112.1	F633 E675 C676 W677 E681 A682 C683 V697 L701 I704	F633-L679 HydrophobicContact CE1-CB 4.37Å; F633-L679 HydrophobicContact CE1-CD2 4.05Å; F633-L679 HydrophobicContact CE1-CG 4.4Å; E675-L679 VanDerWaalsContact O-CB 3.3Å; E675-L679 WeakPolarHBondContact O-CB 3.41Å; E675-L679 PolarHBondContact O-N 3.31Å; C676-L679 PolarHBondContact O-N 3.03Å; W677-L679 VanDerWaalsContact C-N 3.3Å; W677-L679 PolarHBondContact O-N 3.39Å; L679-E681 VanDerWaalsContact C-N 3.34Å; L679-A682 PolarHBondContact O-N 2.78Å; L679-C683 PolarHBondContact O-N 2.75Å; L679-C683 PolarHBondContact O-SG 2.78Å; L679-V697 HydrophobicContact CD1-CB 4.49Å; L679-V697 HydrophobicContact CD1-CG1 4.19Å; L679-V697 HydrophobicContact CD1-CG2 4.36Å; L679-V697 HydrophobicContact CD2-CG1 4.38Å; L679-L701 HydrophobicContact CD2-CB 4.2Å; L679-L701 HydrophobicContact CD2-CD1 4.36Å; L679-I704 HydrophobicContact CB-CD1 4.43Å; L679-I704 HydrophobicContact CD2-CD1 3.92Å
680	M	96.1	Very high	94.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-36.3	177.1	67.6	-175.1	79	0	0	112.2	F633 W634 C637 F672 C676 W677 C683 W684	F633-M680 HydrophobicContact CD1-CB 3.95Å; F633-M680 HydrophobicContact CD1-CE 4.31Å; F633-M680 HydrophobicContact CE1-CE 4.4Å; W634-M680 HydrophobicContact CB-SD 4.09Å; W634-M680 HydrophobicContact CG-SD 4.33Å; C637-M680 HydrophobicContact CB-CE 3.96Å; C637-M680 VanDerWaalsContact SG-CE 3.58Å; F672-M680 HydrophobicContact CD2-CE 4.23Å; F672-M680 HydrophobicContact CD2-SD 4.44Å; F672-M680 HydrophobicContact CE2-CE 4.1Å; F672-M680 HydrophobicContact CE2-SD 4.02Å; C676-M680 HydrophobicContact CB-CE 4.32Å; C676-M680 VanDerWaalsContact O-CE 3.25Å; C676-M680 WeakPolarHBondContact O-CE 3.32Å; C676-M680 PolarHBondContact O-N 3.03Å; W677-M680 HydrophobicContact CE3-CE 4.32Å; W677-M680 HydrophobicContact CE3-CG 3.95Å; W677-M680 HydrophobicContact CE3-SD 3.48Å; W677-M680 HydrophobicContact CZ3-CG 4.36Å; W677-M680 HydrophobicContact CZ3-SD 3.74Å; W677-M680 WeakPolarHBondContact O-CG 3.47Å; W677-M680 PolarHBondContact O-N 3.38Å; M680-C683 PolarHBondContact O-N 2.88Å; M680-W684 HydrophobicContact CB-CH2 4.44Å; M680-W684 HydrophobicContact CB-CZ3 4.43Å; M680-W684 HydrophobicContact CG-CH2 3.93Å; M680-W684 HydrophobicContact CG-CZ2 4.07Å; M680-W684 HydrophobicContact CG-CZ3 4.39Å; M680-W684 PolarHBondContact O-N 3.39Å; M680-W684 VanDerWaalsContact O-N 3.08Å; M680-W684 HydrophobicContact SD-CH2 3.81Å; M680-W684 HydrophobicContact SD-CZ2 4.43Å; M680-W684 HydrophobicContact SD-CZ3 4.32Å
681	E	96.8	Very high	95	Very high	87 Å²	87	49.1 Å²	49.1	41%	0.407	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-43.1	175.2	-79.7	-166.5	131.3	0	0	113.2	W677 Q678 L679 C683 W684 N685	W677-E681 HydrophobicContact CD2-CG 4.27Å; W677-E681 HydrophobicContact CH2-CG 4.48Å; W677-E681 HydrophobicContact CZ2-CG 3.8Å; W677-E681 VanDerWaalsContact CZ2-OE1 3.31Å; W677-E681 WeakPolarHBondContact CZ2-OE1 3.42Å; W677-E681 PolarHBondContact NE1-OE1 2.95Å; W677-E681 PolarHBondContact NE1-OE2 3.31Å; W677-E681 WeakPolarHBondContact O-CB 3.18Å; W677-E681 PolarHBondContact O-N 2.85Å; Q678-E681 PolarHBondContact O-N 3.31Å; L679-E681 VanDerWaalsContact C-N 3.34Å; E681-C683 VanDerWaalsContact C-N 3.31Å; E681-C683 PolarHBondContact O-N 2.81Å; E681-W684 HydrophobicContact CG-CZ2 4.14Å; E681-W684 VanDerWaalsContact O-CD1 3.27Å; E681-W684 PolarHBondContact O-N 3.17Å; E681-N685 PolarHBondContact O-N 2.77Å
682	A	97.1	Very high	95.4	Very high	36 Å²	36	44.6 Å²	44.6	30%	0.298	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-41.6	173.5	0	0	0	0	0	111.4	Q678 L679 W684 P692	Q678-A682 WeakPolarHBondContact O-CB 3.45Å; Q678-A682 PolarHBondContact O-N 2.91Å; L679-A682 PolarHBondContact O-N 2.78Å; A682-W684 PolarHBondContact O-N 2.76Å; A682-P692 VanDerWaalsContact C-CD 3.48Å; A682-P692 HydrophobicContact CB-CG 4.08Å; A682-P692 WeakPolarHBondContact O-CD 3.45Å
683	C	97.8	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-38.3	-179.1	-69.2	0	0	0	0	113.3	V626 Y627 L679 M680 E681 R691	V626-C683 HydrophobicContact CG1-CB 4.13Å; Y627-C683 WeakPolarHBondContact CA-O 3.24Å; Y627-C683 PolarHBondContact N-O 3.46Å; L679-C683 PolarHBondContact O-N 2.75Å; L679-C683 PolarHBondContact O-SG 2.78Å; M680-C683 PolarHBondContact O-N 2.88Å; E681-C683 VanDerWaalsContact C-N 3.31Å; E681-C683 PolarHBondContact O-N 2.81Å; C683-R691 VanDerWaalsContact O-CD 3.29Å; C683-R691 WeakPolarHBondContact O-CD 3.49Å
684	W	96.3	Very high	95.4	Very high	9 Å²	9	48.5 Å²	48.5	3%	0.034	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	23.5	-178.2	67.2	30.1	0	0	0	114.9	Y627 I631 W634 R665 P666 W677 M680 E681 A682	Y627-W684 HydrophobicContact CD2-CB 3.81Å; Y627-W684 HydrophobicContact CE2-CB 3.74Å; Y627-W684 WeakPolarHBondContact CE2-O 3.33Å; Y627-W684 HydrophobicContact CG-CB 4.42Å; I631-W684 HydrophobicContact CD1-CD2 4.46Å; I631-W684 HydrophobicContact CD1-CE3 3.58Å; I631-W684 HydrophobicContact CD1-CZ3 4.09Å; I631-W684 HydrophobicContact CG1-CE3 4.32Å; W634-W684 HydrophobicContact CB-CH2 4.39Å; W634-W684 HydrophobicContact CB-CZ3 3.95Å; W634-W684 AromaticContact CD1-CH2 3.81Å; W634-W684 HydrophobicContact CG-CH2 4.39Å; W634-W684 HydrophobicContact CG-CZ3 4.32Å; R665-W684 HydrophobicContact CB-CZ2 4.32Å; R665-W684 HydrophobicContact CG-CG 4.42Å; R665-W684 PolarHBondContact NE-O 3.21Å; R665-W684 PolarHBondContact NH2-O 2.89Å; P666-W684 HydrophobicContact CB-CH2 3.88Å; P666-W684 HydrophobicContact CB-CZ3 4.02Å; P666-W684 HydrophobicContact CG-CE3 4.31Å; P666-W684 HydrophobicContact CG-CH2 3.93Å; P666-W684 HydrophobicContact CG-CZ3 3.59Å; W677-W684 HydrophobicContact CH2-CH2 4.19Å; W677-W684 AromaticContact CH2-CZ2 3.79Å; W677-W684 HydrophobicContact CH2-CZ2 3.79Å; W677-W684 HydrophobicContact CZ2-CZ2 4.47Å; W677-W684 AromaticContact CZ3-CH2 3.97Å; W677-W684 HydrophobicContact CZ3-CH2 3.97Å; W677-W684 AromaticContact CZ3-CZ2 3.95Å; W677-W684 HydrophobicContact CZ3-CZ2 3.95Å; M680-W684 HydrophobicContact CB-CH2 4.44Å; M680-W684 HydrophobicContact CB-CZ3 4.43Å; M680-W684 HydrophobicContact CG-CH2 3.93Å; M680-W684 HydrophobicContact CG-CZ2 4.07Å; M680-W684 HydrophobicContact CG-CZ3 4.39Å; M680-W684 PolarHBondContact O-N 3.39Å; M680-W684 VanDerWaalsContact O-N 3.08Å; M680-W684 HydrophobicContact SD-CH2 3.81Å; M680-W684 HydrophobicContact SD-CZ2 4.43Å; M680-W684 HydrophobicContact SD-CZ3 4.32Å; E681-W684 HydrophobicContact CG-CZ2 4.14Å; E681-W684 VanDerWaalsContact O-CD1 3.27Å; E681-W684 PolarHBondContact O-N 3.17Å; A682-W684 PolarHBondContact O-N 2.76Å
685	N	96.1	Very high	95.1	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.283	27%	0.267	S	S	.	.			trans	-53	140.4	178.7	-162.5	-48	0	0	0	110.9	E681 D687 R691	E681-N685 PolarHBondContact O-N 2.77Å; N685-D687 VanDerWaalsContact C-N 3.27Å; N685-D687 PolarHBondContact O-N 2.89Å; N685-D687 PolarHBondContact OD1-N 2.93Å; N685-R691 HydrophobicContact CB-CG 3.93Å; N685-R691 PolarHBondContact O-NE 2.96Å; N685-R691 PolarHBondContact O-NH2 2.75Å
686	G	91.6	Very high	95	Very high	43 Å²	43	47.3 Å²	47.3	44%	0.443	28%	0.275	S	S	.	.	S	Bend	trans	-64	-32.3	178.9	0	0	0	0	0	113.1
687	D	92.5	Very high	95	Very high	72 Å²	72	47 Å²	47	39%	0.385	27%	0.273	S	S	.	.	S	Bend	trans	-88.4	118	171.1	-170.2	-27.5	0	0	0	109.7	N685 S689 L690	N685-D687 VanDerWaalsContact C-N 3.27Å; N685-D687 PolarHBondContact O-N 2.89Å; N685-D687 PolarHBondContact OD1-N 2.93Å; D687-S689 VanDerWaalsContact CG-OG 3.24Å; D687-S689 PolarHBondContact O-N 3.41Å; D687-S689 WeakPolarHBondContact OD1-CB 3.18Å; D687-S689 PolarHBondContact OD1-N 2.92Å; D687-S689 PolarHBondContact OD1-OG 3.47Å; D687-S689 PolarHBondContact OD2-OG 3.27Å; D687-L690 HydrophobicContact CB-CB 4.22Å; D687-L690 HydrophobicContact CB-CD1 3.86Å; D687-L690 HydrophobicContact CB-CG 3.9Å; D687-L690 PolarHBondContact O-N 3.09Å
688	P	93.7	Very high	94.9	Very high	34 Å²	34	47.8 Å²	47.8	22%	0.221	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-57.3	-34.7	177.7	-23.7	34.9	0	0	0	113.5	E614 S623 L690 R691	E614-P688 HydrophobicContact CB-CG 4.01Å; E614-P688 VanDerWaalsContact CD-CG 3.45Å; E614-P688 HydrophobicContact CG-CG 3.66Å; S623-P688 WeakPolarHBondContact OG-CB 3.21Å; P688-L690 VanDerWaalsContact C-N 3.28Å; P688-L690 PolarHBondContact O-N 3.47Å; P688-R691 WeakPolarHBondContact O-CB 3.46Å; P688-R691 PolarHBondContact O-N 3.28Å
689	S	92.3	Very high	94.9	Very high	95 Å²	95	45.9 Å²	45.9	66%	0.664	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-72.7	-20.4	-176.5	70.5	0	0	0	0	113.6	D687	D687-S689 VanDerWaalsContact CG-OG 3.24Å; D687-S689 PolarHBondContact O-N 3.41Å; D687-S689 WeakPolarHBondContact OD1-CB 3.18Å; D687-S689 PolarHBondContact OD1-N 2.92Å; D687-S689 PolarHBondContact OD1-OG 3.47Å; D687-S689 PolarHBondContact OD2-OG 3.27Å
690	L	95.4	Very high	94.8	Very high	110 Å²	110	47.4 Å²	47.4	58%	0.576	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-89.8	-4.9	177	-62.2	-177.9	0	0	0	112.9	D687 P688	D687-L690 HydrophobicContact CB-CB 4.22Å; D687-L690 HydrophobicContact CB-CD1 3.86Å; D687-L690 HydrophobicContact CB-CG 3.9Å; D687-L690 PolarHBondContact O-N 3.09Å; P688-L690 VanDerWaalsContact C-N 3.28Å; P688-L690 PolarHBondContact O-N 3.47Å
691	R	97.1	Very high	94.8	Very high	15 Å²	15	47.4 Å²	47.4	6%	0.057	29%	0.286	C	S	.	.	S	Bend	trans	-72.9	140.4	177.4	-63.9	178.3	-167.3	149.3	12.4	110	E614 S623 V626 C683 N685 P688	E614-R691 VanDerWaalsContact CD-NH2 3.31Å; E614-R691 IonicContact OE1-CZ 3.96Å; E614-R691 VanDerWaalsContact OE1-CZ 3.31Å; E614-R691 IonicContact OE1-NH1 2.96Å; E614-R691 PolarHBondContact OE1-NH1 3.46Å; E614-R691 IonicContact OE1-NH2 3.33Å; E614-R691 PolarHBondContact OE1-NH2 3.16Å; E614-R691 VanDerWaalsContact OE1-NH2 3.15Å; E614-R691 IonicContact OE2-CZ 2.83Å; E614-R691 IonicContact OE2-NH1 3Å; E614-R691 IonicContact OE2-NH2 3.77Å; E614-R691 PolarHBondContact OE2-NH2 2.66Å; S623-R691 PolarHBondContact O-NH1 2.66Å; S623-R691 PolarHBondContact OG-NH1 3.43Å; V626-R691 HydrophobicContact CG1-CB 4.31Å; C683-R691 VanDerWaalsContact O-CD 3.29Å; C683-R691 WeakPolarHBondContact O-CD 3.49Å; N685-R691 HydrophobicContact CB-CG 3.93Å; N685-R691 PolarHBondContact O-NE 2.96Å; N685-R691 PolarHBondContact O-NH2 2.75Å; P688-R691 WeakPolarHBondContact O-CB 3.46Å; P688-R691 PolarHBondContact O-N 3.28Å
692	P	96	Very high	94.8	Very high	23 Å²	23	47.8 Å²	47.8	15%	0.149	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-67.1	143.2	179.1	29	-34.7	0	0	0	110.3	A682 V697	A682-P692 VanDerWaalsContact C-CD 3.48Å; A682-P692 HydrophobicContact CB-CG 4.08Å; A682-P692 WeakPolarHBondContact O-CD 3.45Å; P692-V697 HydrophobicContact CB-CG2 3.94Å; P692-V697 HydrophobicContact CG-CG2 3.65Å
693	L	93.9	Very high	94.8	Very high	124 Å²	124	49.5 Å²	49.5	65%	0.649	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-63.2	142.8	166.4	-62.4	176.4	0	0	0	109.1	G695 I696 V697	L693-G695 PolarHBondContact O-N 3.36Å; L693-I696 WeakPolarHBondContact O-CA 3.47Å; L693-I696 WeakPolarHBondContact O-CB 3.48Å; L693-I696 PolarHBondContact O-N 3.29Å; L693-V697 PolarHBondContact O-N 3.34Å
694	L	92.4	Very high	94.7	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-22.2	178.4	-68.1	165.7	0	0	0	113.1	V557 I560 R561 V626 I696 V697 Q698	V557-L694 HydrophobicContact CG1-CB 4.21Å; V557-L694 HydrophobicContact CG1-CD2 4.1Å; V557-L694 HydrophobicContact CG2-CD2 4.48Å; I560-L694 HydrophobicContact CB-CD1 3.83Å; I560-L694 HydrophobicContact CG2-CD1 3.31Å; R561-L694 HydrophobicContact CG-CB 3.39Å; R561-L694 HydrophobicContact CG-CD1 4.09Å; R561-L694 HydrophobicContact CG-CG 4.36Å; V626-L694 HydrophobicContact CG2-CD1 4.34Å; V626-L694 HydrophobicContact CG2-CD2 4.15Å; V626-L694 HydrophobicContact CG2-CG 3.94Å; L694-I696 PolarHBondContact O-N 3.03Å; L694-V697 HydrophobicContact CD2-CB 4.47Å; L694-V697 HydrophobicContact CD2-CG2 4.45Å; L694-V697 PolarHBondContact O-N 2.94Å; L694-Q698 PolarHBondContact O-N 3.38Å; L694-Q698 VanDerWaalsContact O-N 3.08Å
695	G	89.1	Confident	94.6	Very high	33 Å²	33	50.4 Å²	50.4	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-24.5	169.9	0	0	0	0	0	114.8	L693 P699	L693-G695 PolarHBondContact O-N 3.36Å; G695-P699 WeakPolarHBondContact O-CD 3.33Å; G695-P699 WeakPolarHBondContact O-CG 3.48Å
696	I	93.4	Very high	94.5	Very high	99 Å²	99	52.7 Å²	52.7	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-93.3	-40.6	174.9	-56.7	174.1	0	0	0	109.9	L693 L694 Q698 P699 S700	L693-I696 WeakPolarHBondContact O-CA 3.47Å; L693-I696 WeakPolarHBondContact O-CB 3.48Å; L693-I696 PolarHBondContact O-N 3.29Å; L694-I696 PolarHBondContact O-N 3.03Å; I696-Q698 VanDerWaalsContact C-N 3.31Å; I696-Q698 PolarHBondContact O-N 3.06Å; I696-P699 WeakPolarHBondContact O-CD 3.43Å; I696-S700 PolarHBondContact O-N 3.38Å; I696-S700 PolarHBondContact O-OG 3.05Å
697	V	96.6	Very high	94.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-43.6	179.5	177.6	0	0	0	0	111.8	V557 F629 L679 P692 L693 L694 S700 L701	V557-V697 HydrophobicContact CG2-CG1 3.96Å; F629-V697 HydrophobicContact CD1-CG1 4.25Å; F629-V697 HydrophobicContact CE1-CG1 3.61Å; F629-V697 HydrophobicContact CZ-CG1 4.28Å; L679-V697 HydrophobicContact CD1-CB 4.49Å; L679-V697 HydrophobicContact CD1-CG1 4.19Å; L679-V697 HydrophobicContact CD1-CG2 4.36Å; L679-V697 HydrophobicContact CD2-CG1 4.38Å; P692-V697 HydrophobicContact CB-CG2 3.94Å; P692-V697 HydrophobicContact CG-CG2 3.65Å; L693-V697 PolarHBondContact O-N 3.34Å; L694-V697 HydrophobicContact CD2-CB 4.47Å; L694-V697 HydrophobicContact CD2-CG2 4.45Å; L694-V697 PolarHBondContact O-N 2.94Å; V697-S700 PolarHBondContact O-N 3.19Å; V697-L701 WeakPolarHBondContact O-CB 3.47Å; V697-L701 PolarHBondContact O-N 3.37Å
698	Q	95.2	Very high	94.7	Very high	38 Å²	38	53.1 Å²	53.1	18%	0.178	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-53.7	-177.5	175.5	176.7	-1.9	0	0	113.2	L554 V557 R561 L694 I696 S700 L701 Q702	L554-Q698 HydrophobicContact CD2-CG 4.2Å; V557-Q698 HydrophobicContact CG1-CB 3.74Å; R561-Q698 VanDerWaalsContact CD-OE1 3.32Å; L694-Q698 PolarHBondContact O-N 3.38Å; L694-Q698 VanDerWaalsContact O-N 3.08Å; I696-Q698 VanDerWaalsContact C-N 3.31Å; I696-Q698 PolarHBondContact O-N 3.06Å; Q698-S700 VanDerWaalsContact C-N 3.33Å; Q698-S700 PolarHBondContact O-N 2.9Å; Q698-L701 PolarHBondContact O-N 3.4Å; Q698-Q702 WeakPolarHBondContact O-CG 3.43Å; Q698-Q702 PolarHBondContact O-N 3.02Å
699	P	95.9	Very high	94.5	Very high	66 Å²	66	52.2 Å²	52.2	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-41.9	173.6	-27.3	33.3	0	0	0	114	G695 I696 L701 Q702 S703	G695-P699 WeakPolarHBondContact O-CD 3.33Å; G695-P699 WeakPolarHBondContact O-CG 3.48Å; I696-P699 WeakPolarHBondContact O-CD 3.43Å; P699-L701 VanDerWaalsContact C-N 3.33Å; P699-L701 PolarHBondContact O-N 3.22Å; P699-Q702 PolarHBondContact O-N 3.42Å; P699-S703 PolarHBondContact O-N 3.22Å
700	S	96.4	Very high	93.9	Very high	48 Å²	48	49.8 Å²	49.8	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176.4	-63.1	0	0	0	0	111.5	I696 V697 Q698 Q702 S703 I704	I696-S700 PolarHBondContact O-N 3.38Å; I696-S700 PolarHBondContact O-OG 3.05Å; V697-S700 PolarHBondContact O-N 3.19Å; Q698-S700 VanDerWaalsContact C-N 3.33Å; Q698-S700 PolarHBondContact O-N 2.9Å; S700-Q702 PolarHBondContact O-N 3.27Å; S700-S703 WeakPolarHBondContact O-CB 3.4Å; S700-S703 PolarHBondContact O-N 3.42Å; S700-I704 VanDerWaalsContact O-CG1 3.28Å; S700-I704 WeakPolarHBondContact O-CG1 3.13Å; S700-I704 PolarHBondContact O-N 3.37Å
701	L	96.2	Very high	92.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-35	178.7	-173.2	63.6	0	0	0	112.7	L550 A553 L554 V557 F629 F633 L679 V697 Q698 P699 I704 M705	L550-L701 HydrophobicContact CD2-CD1 4.09Å; A553-L701 HydrophobicContact CB-CD1 4.32Å; A553-L701 HydrophobicContact CB-CD2 3.48Å; A553-L701 VanDerWaalsContact CB-CD2 3.48Å; A553-L701 HydrophobicContact CB-CG 4.46Å; L554-L701 HydrophobicContact CB-CD2 4.36Å; L554-L701 HydrophobicContact CD2-CB 3.85Å; L554-L701 HydrophobicContact CD2-CD2 3.69Å; L554-L701 HydrophobicContact CD2-CG 3.78Å; L554-L701 HydrophobicContact CG-CD2 3.7Å; L554-L701 HydrophobicContact CG-CG 3.9Å; V557-L701 HydrophobicContact CG2-CD2 4.49Å; F629-L701 HydrophobicContact CZ-CD2 4.35Å; F633-L701 HydrophobicContact CE1-CD1 4.44Å; F633-L701 HydrophobicContact CE2-CD1 3.62Å; F633-L701 HydrophobicContact CZ-CD1 3.54Å; L679-L701 HydrophobicContact CD2-CB 4.2Å; L679-L701 HydrophobicContact CD2-CD1 4.36Å; V697-L701 WeakPolarHBondContact O-CB 3.47Å; V697-L701 PolarHBondContact O-N 3.37Å; Q698-L701 PolarHBondContact O-N 3.4Å; P699-L701 VanDerWaalsContact C-N 3.33Å; P699-L701 PolarHBondContact O-N 3.22Å; L701-I704 PolarHBondContact O-N 3.47Å; L701-M705 WeakPolarHBondContact O-CB 3.38Å; L701-M705 PolarHBondContact O-N 3.03Å
702	Q	96.3	Very high	90.4	Very high	94 Å²	94	49.2 Å²	49.2	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-44.6	172.7	-72.3	173.5	-28.3	0	0	111.3	L554 Q698 P699 S700 M705 H706	L554-Q702 HydrophobicContact CD1-CG 4.1Å; L554-Q702 HydrophobicContact CD2-CG 3.55Å; Q698-Q702 WeakPolarHBondContact O-CG 3.43Å; Q698-Q702 PolarHBondContact O-N 3.02Å; P699-Q702 PolarHBondContact O-N 3.42Å; S700-Q702 PolarHBondContact O-N 3.27Å; Q702-M705 PolarHBondContact O-N 3.03Å; Q702-H706 WeakPolarHBondContact O-CB 3.46Å; Q702-H706 PolarHBondContact O-N 2.77Å
703	S	96.1	Very high	88.4	Confident	72 Å²	72	50.9 Å²	50.9	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-46.4	176.1	-175.4	0	0	0	0	111.9	P699 S700 M705 H706 R707	P699-S703 PolarHBondContact O-N 3.22Å; S700-S703 WeakPolarHBondContact O-CB 3.4Å; S700-S703 PolarHBondContact O-N 3.42Å; S703-M705 PolarHBondContact O-N 3.2Å; S703-H706 PolarHBondContact O-N 3.1Å; S703-R707 WeakPolarHBondContact O-CB 3.46Å; S703-R707 PolarHBondContact O-N 3.1Å
704	I	95.6	Very high	86.4	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-47.9	175.8	-71.2	166.6	0	0	0	110.6	L550 E675 C676 L679 S700 L701 H706 R707 L708	L550-I704 HydrophobicContact CD1-CG2 4.48Å; E675-I704 HydrophobicContact CB-CD1 3.88Å; E675-I704 HydrophobicContact CB-CG1 3.73Å; E675-I704 WeakPolarHBondContact OE2-CG1 3.42Å; C676-I704 WeakPolarHBondContact SG-CG2 3.23Å; L679-I704 HydrophobicContact CB-CD1 4.43Å; L679-I704 HydrophobicContact CD2-CD1 3.92Å; S700-I704 VanDerWaalsContact O-CG1 3.28Å; S700-I704 WeakPolarHBondContact O-CG1 3.13Å; S700-I704 PolarHBondContact O-N 3.37Å; L701-I704 PolarHBondContact O-N 3.47Å; I704-H706 PolarHBondContact O-N 3.41Å; I704-R707 PolarHBondContact O-N 3Å; I704-L708 HydrophobicContact CG2-CD1 3.65Å; I704-L708 HydrophobicContact CG2-CG 4.38Å; I704-L708 WeakPolarHBondContact O-CB 3.42Å; I704-L708 WeakPolarHBondContact O-CG 3.4Å; I704-L708 PolarHBondContact O-N 3.33Å
705	M	95.3	Very high	84.3	Confident	24 Å²	24	58.1 Å²	58.1	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-44.5	-179.8	-172.8	175.3	71.4	0	0	111.7	L550 Q551 L554 L701 Q702 S703 L708 C709	L550-M705 HydrophobicContact CB-CB 4.19Å; L550-M705 HydrophobicContact CB-CG 3.92Å; L550-M705 HydrophobicContact CB-SD 4.06Å; L550-M705 HydrophobicContact CD1-CB 4.14Å; L550-M705 HydrophobicContact CD1-CG 4.19Å; Q551-M705 HydrophobicContact CB-SD 4.43Å; L554-M705 HydrophobicContact CD1-CE 3.45Å; L554-M705 VanDerWaalsContact CD1-CE 3.45Å; L554-M705 HydrophobicContact CD1-SD 3.73Å; L701-M705 WeakPolarHBondContact O-CB 3.38Å; L701-M705 PolarHBondContact O-N 3.03Å; Q702-M705 PolarHBondContact O-N 3.03Å; S703-M705 PolarHBondContact O-N 3.2Å; M705-L708 PolarHBondContact O-N 2.96Å; M705-C709 WeakPolarHBondContact O-CA 3.46Å; M705-C709 WeakPolarHBondContact O-CB 3.44Å; M705-C709 PolarHBondContact O-N 2.7Å
706	H	93.8	Very high	82.4	Confident	102 Å²	102	64 Å²	64	47%	0.472	34%	0.337	S	S	.	.	I	π-helix	trans	-60.5	-48.3	177.2	-175.2	-87.6	0	0	0	111.8	Q702 S703 I704 L708 D710 C711	Q702-H706 WeakPolarHBondContact O-CB 3.46Å; Q702-H706 PolarHBondContact O-N 2.77Å; S703-H706 PolarHBondContact O-N 3.1Å; I704-H706 PolarHBondContact O-N 3.41Å; H706-L708 PolarHBondContact O-N 3.32Å; H706-D710 WeakPolarHBondContact CA-OD2 3.46Å; H706-D710 IonicContact CD2-OD2 3.14Å; H706-D710 PolarHBondContact CD2-OD2 3.06Å; H706-D710 IonicContact CG-OD2 3.29Å; H706-D710 WeakPolarHBondContact O-CA 3.28Å; H706-D710 VanDerWaalsContact O-CB 3.32Å; H706-D710 WeakPolarHBondContact O-CB 3.14Å; H706-D710 PolarHBondContact O-N 2.88Å; H706-C711 PolarHBondContact O-N 3.07Å; H706-C711 VanDerWaalsContact O-N 3.13Å
707	R	94.9	Very high	80.3	Confident	81 Å²	81	62.6 Å²	62.6	31%	0.306	34%	0.336	S	S	.	.	I	π-helix	trans	-61.5	-45.3	178.9	-178.2	176.6	56.2	71.9	6.1	112.5	D673 E675 S703 I704	D673-R707 IonicContact OD1-CZ 3.58Å; D673-R707 IonicContact OD1-NH1 3.98Å; D673-R707 IonicContact OD1-NH2 2.88Å; D673-R707 PolarHBondContact OD1-NH2 2.83Å; D673-R707 IonicContact OD2-CZ 2.8Å; D673-R707 IonicContact OD2-NH1 3.28Å; D673-R707 PolarHBondContact OD2-NH1 3Å; D673-R707 IonicContact OD2-NH2 3.85Å; D673-R707 PolarHBondContact OD2-NH2 2.82Å; D673-R707 VanDerWaalsContact OD2-NH2 3.09Å; E675-R707 VanDerWaalsContact CD-NE 3.35Å; E675-R707 IonicContact OE1-CZ 3.61Å; E675-R707 IonicContact OE1-NE 3.72Å; E675-R707 PolarHBondContact OE1-NE 3.31Å; E675-R707 IonicContact OE1-NH2 2.81Å; E675-R707 IonicContact OE2-CZ 3.82Å; E675-R707 VanDerWaalsContact OE2-CZ 3.26Å; E675-R707 IonicContact OE2-NE 2.85Å; E675-R707 PolarHBondContact OE2-NE 3.45Å; E675-R707 IonicContact OE2-NH2 2.84Å; E675-R707 PolarHBondContact OE2-NH2 2.77Å; S703-R707 WeakPolarHBondContact O-CB 3.46Å; S703-R707 PolarHBondContact O-N 3.1Å; I704-R707 PolarHBondContact O-N 3Å
708	L	92.6	Very high	78	Confident	43 Å²	43	65.8 Å²	65.8	23%	0.225	36%	0.358	C	S	.	.	I	π-helix	trans	-80.2	-31.3	-174.7	-68.2	178.1	0	0	0	113.4	L546 L550 D673 I704 M705 H706 S712	L546-L708 HydrophobicContact CD2-CB 4.36Å; L546-L708 HydrophobicContact CD2-CD1 4.46Å; L550-L708 HydrophobicContact CD1-CB 4.49Å; L550-L708 HydrophobicContact CD1-CD1 4.25Å; D673-L708 HydrophobicContact CB-CD1 4.08Å; D673-L708 HydrophobicContact CB-CD2 4.44Å; I704-L708 HydrophobicContact CG2-CD1 3.65Å; I704-L708 HydrophobicContact CG2-CG 4.38Å; I704-L708 WeakPolarHBondContact O-CB 3.42Å; I704-L708 WeakPolarHBondContact O-CG 3.4Å; I704-L708 PolarHBondContact O-N 3.33Å; M705-L708 PolarHBondContact O-N 2.96Å; H706-L708 PolarHBondContact O-N 3.32Å; L708-S712 PolarHBondContact O-OG 3.31Å
709	C	90.9	Very high	75.6	Confident	14 Å²	14	67.2 Å²	67.2	10%	0.095	37%	0.373	C	S	.	.	I	π-helix	trans	-115.9	-28.1	-169.3	-56.9	0	0	0	0	115.1	R547 M705	R547-C709 HydrophobicContact CB-CB 4.3Å; R547-C709 HydrophobicContact CG-CB 4.45Å; R547-C709 PolarHBondContact NH2-O 2.81Å; M705-C709 WeakPolarHBondContact O-CA 3.46Å; M705-C709 WeakPolarHBondContact O-CB 3.44Å; M705-C709 PolarHBondContact O-N 2.7Å
710	D	78.6	Confident	73.3	Confident	44 Å²	44	70.3 Å²	70.3	24%	0.235	39%	0.385	C	S	.	.	I	π-helix	trans	-96.3	-48.3	-176.9	-63.4	-43.5	0	0	0	110.7	R547 H706 S712 S713 E714	R547-D710 IonicContact CZ-OD1 2.74Å; R547-D710 VanDerWaalsContact CZ-OD1 3.29Å; R547-D710 IonicContact NH1-OD1 3.09Å; R547-D710 PolarHBondContact NH1-OD1 2.99Å; R547-D710 VanDerWaalsContact NH1-OD1 3.14Å; R547-D710 IonicContact NH2-OD1 2.82Å; R547-D710 PolarHBondContact NH2-OD1 3.49Å; H706-D710 WeakPolarHBondContact CA-OD2 3.46Å; H706-D710 IonicContact CD2-OD2 3.14Å; H706-D710 PolarHBondContact CD2-OD2 3.06Å; H706-D710 IonicContact CG-OD2 3.29Å; H706-D710 WeakPolarHBondContact O-CA 3.28Å; H706-D710 VanDerWaalsContact O-CB 3.32Å; H706-D710 WeakPolarHBondContact O-CB 3.14Å; H706-D710 PolarHBondContact O-N 2.88Å; D710-S712 PolarHBondContact O-N 2.98Å; D710-S713 PolarHBondContact O-N 2.67Å; D710-S713 PolarHBondContact O-OG 3.26Å; D710-E714 PolarHBondContact O-N 3.25Å
711	C	63.3	Low	70.9	Confident	54 Å²	54	76 Å²	76	37%	0.365	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-27.5	178.1	-66.5	0	0	0	0	114	H706 S713	H706-C711 PolarHBondContact O-N 3.07Å; H706-C711 VanDerWaalsContact O-N 3.13Å; C711-S713 VanDerWaalsContact C-N 3.29Å
712	S	56.6	Low	68.6	Low	59 Å²	59	83.2 Å²	83.2	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-77.4	-13.6	176.4	49	0	0	0	0	113.4	L708 D710	L708-S712 PolarHBondContact O-OG 3.31Å; D710-S712 PolarHBondContact O-N 2.98Å
713	S	54.3	Low	66.2	Low	59 Å²	59	82.9 Å²	82.9	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-90.1	-35.8	177.2	68.2	0	0	0	0	113	D710 C711 Q715 K716 S717	D710-S713 PolarHBondContact O-N 2.67Å; D710-S713 PolarHBondContact O-OG 3.26Å; C711-S713 VanDerWaalsContact C-N 3.29Å; S713-Q715 PolarHBondContact O-N 3.4Å; S713-K716 PolarHBondContact O-N 3.04Å; S713-S717 PolarHBondContact O-N 3.26Å
714	E	51.2	Low	63.3	Low	137 Å²	137	90.2 Å²	90.2	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-67.5	-33.6	177.3	-68.3	-177.2	158.1	0	0	113	D710 K716 S717 S718	D710-E714 PolarHBondContact O-N 3.25Å; E714-K716 VanDerWaalsContact C-N 3.3Å; E714-K716 PolarHBondContact O-N 3.25Å; E714-S717 WeakPolarHBondContact CA-OG 3.32Å; E714-S717 PolarHBondContact O-N 3.13Å; E714-S717 PolarHBondContact O-OG 3.13Å; E714-S718 PolarHBondContact O-N 3.14Å
715	Q	48.2	Very low	61.7	Low	149 Å²	149	94.6 Å²	94.6	70%	0.696	51%	0.51	S	S	*	.	H	α-helix	trans	-70.9	-23.8	173.9	-72.4	-174.3	-19.8	0	0	113.5	S713 S718 S719	S713-Q715 PolarHBondContact O-N 3.4Å; Q715-S718 PolarHBondContact O-OG 3.48Å; Q715-S719 PolarHBondContact O-OG 3.44Å
716	K	49.1	Very low	59.9	Low	156 Å²	156	98.3 Å²	98.3	68%	0.678	53%	0.53	S	S	*	.	H	α-helix	trans	-82.3	-29.3	175	-85.6	-176.6	176.1	179.1	0	112.7	S713 E714 S719	S713-K716 PolarHBondContact O-N 3.04Å; E714-K716 VanDerWaalsContact C-N 3.3Å; E714-K716 PolarHBondContact O-N 3.25Å; K716-S719 PolarHBondContact O-OG 3.28Å
717	S	49	Very low	58	Low	70 Å²	70	98.1 Å²	98.1	49%	0.49	53%	0.533	S	S	.	.	H	α-helix	trans	-75.4	-36.9	174.1	50.8	0	0	0	0	112.3	S713 E714 S719 L720	S713-S717 PolarHBondContact O-N 3.26Å; E714-S717 WeakPolarHBondContact CA-OG 3.32Å; E714-S717 PolarHBondContact O-N 3.13Å; E714-S717 PolarHBondContact O-OG 3.13Å; S717-S719 VanDerWaalsContact C-N 3.29Å; S717-S719 PolarHBondContact O-N 2.63Å; S717-L720 PolarHBondContact O-N 3.38Å
718	S	48.1	Very low	55.9	Low	67 Å²	67	99.1 Å²	99.1	47%	0.469	55%	0.547	S	S	.	.	H	α-helix	trans	-69.5	-24.6	179	72.3	0	0	0	0	113.6	E714 Q715	E714-S718 PolarHBondContact O-N 3.14Å; Q715-S718 PolarHBondContact O-OG 3.48Å
719	S	45.4	Very low	53.6	Low	69 Å²	69	102.6 Å²	102.6	48%	0.483	57%	0.567	S	S	.	*	H	α-helix	trans	-83.4	-10.1	178.9	38.5	0	0	0	0	114.1	Q715 K716 S717	Q715-S719 PolarHBondContact O-OG 3.44Å; K716-S719 PolarHBondContact O-OG 3.28Å; S717-S719 VanDerWaalsContact C-N 3.29Å; S717-S719 PolarHBondContact O-N 2.63Å
720	L	48.1	Very low	51.1	Low	130 Å²	130	108.5 Å²	108.5	68%	0.681	60%	0.598	S	S	*	*	H	α-helix	trans	-95.6	-19.2	175.8	-80.8	157.5	0	0	0	113.2	S717	S717-L720 PolarHBondContact O-N 3.38Å
721	E	46.2	Very low	49.1	Very low	167 Å²	167	113.1 Å²	113.1	78%	0.78	62%	0.624	S	S	*	*	H	α-helix	trans	-83.3	-18.9	176.7	-72.2	-172.6	160.6	0	0	113.4	S723	E721-S723 PolarHBondContact O-N 3.32Å
722	D	47.9	Very low	48	Very low	153 Å²	153	117.6 Å²	117.6	82%	0.818	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	13.5	175	-75.1	-23.5	0	0	0	113.7
723	S	44.7	Very low	47.3	Very low	86 Å²	86	122.5 Å²	122.5	60%	0.601	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	25	-175.7	-51.5	0	0	0	0	114.9	E721	E721-S723 PolarHBondContact O-N 3.32Å
724	N	35.5	Very low	46.7	Very low	227 Å²	227	128.3 Å²	128.3	100%	1.214	69%	0.686	S	S	*	*			trans	-130.3	0	170.9	-89	-28.3	0	0	0	112.6

Retrieved 724 of 724 residues in 381.2 ms (Link to these results)

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