A0A087XPC6_POEFO Loading...

BCAR3 adaptor protein, NSP family member

AlphaFold DB , UniProt , Accession A0A087XPC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	33.8	Very low	247 Å²	247	158.9 Å²	158.9	100%	1.217	84%	0.836	S	S	*	*				0	89.9	0	-178.7	176.2	-179.9	0	0	108.7
2	Q	30.6	Very low	33.7	Very low	198 Å²	198	154.4 Å²	154.4	93%	0.925	81%	0.813	S	S	*	*			trans	-145.4	145	178.9	-78.6	176.3	-18	0	0	108.7
3	R	29.2	Very low	34.1	Very low	239 Å²	239	152.8 Å²	152.8	90%	0.902	80%	0.799	S	S	*	*			trans	-125.4	137.8	168	-71.3	-178.6	176.7	176.1	-1	107.7
4	P	37.4	Very low	34.2	Very low	131 Å²	131	152.6 Å²	152.6	85%	0.851	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.6	141.7	163.5	30.7	-32.7	0	0	0	109.7
5	S	31.1	Very low	34.8	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-86	136.2	179.8	38.6	0	0	0	0	111.9
6	S	31.3	Very low	35.3	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.9	119.1	171.9	52.8	0	0	0	0	110.7	S8	S6-S8 PolarHBondContact O-N 3.23Å
7	C	32.5	Very low	35.4	Very low	128 Å²	128	144 Å²	144	87%	0.865	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-66.9	120.3	176	-62.1	0	0	0	0	111.5
8	S	30.7	Very low	35.8	Very low	113 Å²	113	139 Å²	139	79%	0.79	72%	0.724	S	S	*	*			trans	-82.7	114.3	169.6	53.2	0	0	0	0	110.4	S6 S10	S6-S8 PolarHBondContact O-N 3.23Å; S8-S10 PolarHBondContact O-N 3.32Å
9	F	37.4	Very low	37	Very low	200 Å²	200	134.6 Å²	134.6	88%	0.877	71%	0.706	S	S	*	*			trans	-72.3	109.1	173.1	-133.1	-92.1	0	0	0	109.2
10	S	36.3	Very low	38.1	Very low	54 Å²	54	130.1 Å²	130.1	38%	0.378	68%	0.683	S	S	.	*			trans	-83.9	131.8	-178.6	-172.2	0	0	0	0	111.8	S8 D12	S8-S10 PolarHBondContact O-N 3.32Å; S10-D12 PolarHBondContact O-N 3.43Å; S10-D12 PolarHBondContact OG-OD2 3.18Å
11	R	35.2	Very low	39.1	Very low	208 Å²	208	129 Å²	129	79%	0.785	67%	0.674	S	S	*	*	H	α-helix	trans	-70.9	-20.2	-178.7	-172.8	168.2	172.9	164.5	-5.4	112.9
12	D	33.7	Very low	40.4	Very low	105 Å²	105	123.9 Å²	123.9	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-80.6	-28.6	-171.7	-53.1	-47.6	0	0	0	113.3	S10 F14 I15 L16	S10-D12 PolarHBondContact O-N 3.43Å; S10-D12 PolarHBondContact OG-OD2 3.18Å; D12-F14 VanDerWaalsContact C-N 3.34Å; D12-F14 PolarHBondContact O-N 3.38Å; D12-I15 PolarHBondContact O-N 3.12Å; D12-L16 PolarHBondContact O-N 2.85Å
13	Q	38	Very low	42.1	Very low	133 Å²	133	116.1 Å²	116.1	62%	0.621	61%	0.61	S	S	*	*	H	α-helix	trans	-59.9	-46.2	171.6	-82.1	179	-35.6	0	0	110.7	I15 L16 D17	Q13-I15 PolarHBondContact O-N 3.33Å; Q13-L16 PolarHBondContact O-N 3.38Å; Q13-L16 VanDerWaalsContact O-N 3.12Å; Q13-D17 PolarHBondContact O-N 3.5Å
14	F	35.5	Very low	43.9	Very low	151 Å²	151	110.4 Å²	110.4	66%	0.662	59%	0.588	S	S	*	*	H	α-helix	trans	-62.4	-28.3	-177.6	-133.6	-88	0	0	0	113.8	D12 C18	D12-F14 VanDerWaalsContact C-N 3.34Å; D12-F14 PolarHBondContact O-N 3.38Å; F14-C18 WeakPolarHBondContact O-CB 3.42Å; F14-C18 PolarHBondContact O-N 2.66Å; F14-C18 VanDerWaalsContact O-N 3.12Å
15	I	44.3	Very low	45.5	Very low	111 Å²	111	112.1 Å²	112.1	57%	0.569	58%	0.578	S	S	*	*	H	α-helix	trans	-76.8	-39.1	178	-62.8	172.3	0	0	0	110.6	D12 Q13 S19	D12-I15 PolarHBondContact O-N 3.12Å; Q13-I15 PolarHBondContact O-N 3.33Å; I15-S19 PolarHBondContact O-N 3.01Å
16	L	42	Very low	47.4	Very low	122 Å²	122	109 Å²	109	64%	0.639	55%	0.55	S	S	*	*	H	α-helix	trans	-68	-47.5	173	-83.6	158.4	0	0	0	111.6	D12 Q13 C18 S19 L20	D12-L16 PolarHBondContact O-N 2.85Å; Q13-L16 PolarHBondContact O-N 3.38Å; Q13-L16 VanDerWaalsContact O-N 3.12Å; L16-C18 VanDerWaalsContact C-N 3.35Å; L16-C18 PolarHBondContact O-N 2.98Å; L16-S19 WeakPolarHBondContact O-CA 3.48Å; L16-S19 WeakPolarHBondContact O-CB 3.21Å; L16-S19 PolarHBondContact O-N 3.41Å; L16-S19 PolarHBondContact O-OG 3.37Å; L16-L20 PolarHBondContact O-N 3.12Å
17	D	37.9	Very low	49.3	Very low	78 Å²	78	104.3 Å²	104.3	42%	0.417	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-41.4	179.3	-73.6	-43.6	0	0	0	111.9	Q13 S19 L20 E21	Q13-D17 PolarHBondContact O-N 3.5Å; D17-S19 PolarHBondContact O-N 3.03Å; D17-L20 CarbonylContact O-C 3.57Å; D17-L20 PolarHBondContact O-N 3.45Å; D17-E21 WeakPolarHBondContact O-CG 3.32Å; D17-E21 PolarHBondContact O-N 3.35Å
18	C	41.5	Very low	51	Low	54 Å²	54	104.3 Å²	104.3	37%	0.365	50%	0.503	S	S	.	.	H	α-helix	trans	-70.2	-12.3	176	-161.5	0	0	0	0	113.7	F14 L16 K22	F14-C18 WeakPolarHBondContact O-CB 3.42Å; F14-C18 PolarHBondContact O-N 2.66Å; F14-C18 VanDerWaalsContact O-N 3.12Å; L16-C18 VanDerWaalsContact C-N 3.35Å; L16-C18 PolarHBondContact O-N 2.98Å; C18-K22 WeakPolarHBondContact O-CD 3.22Å; C18-K22 WeakPolarHBondContact O-CE 3.37Å; C18-K22 WeakPolarHBondContact O-CG 3.5Å
19	S	58.8	Low	52.8	Low	55 Å²	55	105 Å²	105	39%	0.385	49%	0.494	S	S	.	.	H	α-helix	trans	-85.5	-38.2	165.7	80	0	0	0	0	111.8	I15 L16 D17 K22 L23	I15-S19 PolarHBondContact O-N 3.01Å; L16-S19 WeakPolarHBondContact O-CA 3.48Å; L16-S19 WeakPolarHBondContact O-CB 3.21Å; L16-S19 PolarHBondContact O-N 3.41Å; L16-S19 PolarHBondContact O-OG 3.37Å; D17-S19 PolarHBondContact O-N 3.03Å; S19-K22 PolarHBondContact O-N 2.71Å; S19-L23 PolarHBondContact O-N 2.8Å; S19-L23 VanDerWaalsContact O-N 3.08Å
20	L	58.3	Low	54.5	Low	45 Å²	45	97.4 Å²	97.4	24%	0.236	46%	0.461	C	S	.	.	H	α-helix	trans	-69.3	-36.1	178.8	-174	60.5	0	0	0	112.2	L16 D17 K22 L23 R24 F146	L16-L20 PolarHBondContact O-N 3.12Å; D17-L20 CarbonylContact O-C 3.57Å; D17-L20 PolarHBondContact O-N 3.45Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.46Å; L20-L23 PolarHBondContact O-N 3.16Å; L20-R24 WeakPolarHBondContact O-CB 3.31Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.46Å; L20-R24 PolarHBondContact O-N 3.22Å; L20-F146 HydrophobicContact CD1-CE1 3.79Å
21	E	60.1	Low	56	Low	106 Å²	106	97.9 Å²	97.9	50%	0.495	46%	0.459	S	S	.	.	H	α-helix	trans	-63.6	-34.3	171.4	-73.2	-176.4	160.1	0	0	112.8	D17 R24 R25	D17-E21 WeakPolarHBondContact O-CG 3.32Å; D17-E21 PolarHBondContact O-N 3.35Å; E21-R24 PolarHBondContact O-N 2.88Å; E21-R25 WeakPolarHBondContact O-CG 3.39Å; E21-R25 PolarHBondContact O-N 3.18Å
22	K	66.8	Low	57.4	Low	140 Å²	140	96.7 Å²	96.7	61%	0.609	46%	0.46	S	S	*	.	H	α-helix	trans	-70.2	-43.1	174.8	-69.3	170.7	-172.7	171.7	0	111.4	C18 S19 L20 R24 R25 E26	C18-K22 WeakPolarHBondContact O-CD 3.22Å; C18-K22 WeakPolarHBondContact O-CE 3.37Å; C18-K22 WeakPolarHBondContact O-CG 3.5Å; S19-K22 PolarHBondContact O-N 2.71Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.46Å; K22-R24 VanDerWaalsContact C-N 3.29Å; K22-R24 PolarHBondContact O-N 3.38Å; K22-R25 PolarHBondContact O-N 3.35Å; K22-E26 PolarHBondContact O-N 3.49Å
23	L	65.6	Low	58.7	Low	36 Å²	36	97.3 Å²	97.3	19%	0.188	46%	0.461	C	S	.	.	H	α-helix	trans	-63.2	-34.6	173.4	-69.7	169.4	0	0	0	112.1	S19 L20 L27 F146 P147 Y150	S19-L23 PolarHBondContact O-N 2.8Å; S19-L23 VanDerWaalsContact O-N 3.08Å; L20-L23 PolarHBondContact O-N 3.16Å; L23-L27 VanDerWaalsContact O-CB 3.31Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 PolarHBondContact O-N 3.39Å; L23-F146 HydrophobicContact CD1-CD1 4.44Å; L23-P147 HydrophobicContact CB-CG 4.47Å; L23-P147 HydrophobicContact CD2-CG 3.75Å; L23-P147 WeakPolarHBondContact O-CD 3.49Å; L23-Y150 HydrophobicContact CD1-CD2 4.19Å; L23-Y150 HydrophobicContact CD1-CE2 4.42Å; L23-Y150 HydrophobicContact CD2-CD2 4.27Å; L23-Y150 HydrophobicContact CD2-CG 4.42Å
24	R	68.1	Low	59.1	Low	119 Å²	119	94.4 Å²	94.4	45%	0.449	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-43.4	171.8	-75.8	169.3	178.5	144.3	-0.4	112.1	L20 E21 K22 L27 E28	L20-R24 WeakPolarHBondContact O-CB 3.31Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.46Å; L20-R24 PolarHBondContact O-N 3.22Å; E21-R24 PolarHBondContact O-N 2.88Å; K22-R24 VanDerWaalsContact C-N 3.29Å; K22-R24 PolarHBondContact O-N 3.38Å; R24-L27 WeakPolarHBondContact O-CB 3.1Å; R24-L27 PolarHBondContact O-N 3.48Å; R24-E28 WeakPolarHBondContact O-CB 3.24Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 2.83Å
25	R	70.8	Confident	60.3	Low	167 Å²	167	91 Å²	91	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-66.3	-44.2	175.1	-70.7	-177.4	-173.2	-160.4	2.7	112.9	E21 K22 L27 E28 E29	E21-R25 WeakPolarHBondContact O-CG 3.39Å; E21-R25 PolarHBondContact O-N 3.18Å; K22-R25 PolarHBondContact O-N 3.35Å; R25-L27 PolarHBondContact O-N 3.08Å; R25-E28 PolarHBondContact O-N 3.04Å; R25-E28 VanDerWaalsContact O-N 3.15Å; R25-E29 WeakPolarHBondContact O-CB 3.43Å; R25-E29 VanDerWaalsContact O-CG 3.31Å; R25-E29 WeakPolarHBondContact O-CG 3.43Å; R25-E29 PolarHBondContact O-N 3.41Å
26	E	70.9	Confident	60.8	Low	50 Å²	50	93.1 Å²	93.1	23%	0.234	46%	0.458	C	S	.	.	H	α-helix	trans	-59.7	-36.1	174.7	-169.9	173.2	-160.6	0	0	110.6	K22 E30 P147 R149	K22-E26 PolarHBondContact O-N 3.49Å; E26-E30 WeakPolarHBondContact O-CG 3.45Å; E26-E30 PolarHBondContact O-N 3.04Å; E26-P147 HydrophobicContact CB-CB 4.31Å; E26-P147 HydrophobicContact CB-CG 4.23Å; E26-P147 HydrophobicContact CG-CB 4.03Å; E26-P147 HydrophobicContact CG-CG 4.21Å; E26-R149 WeakPolarHBondContact OE1-CD 3.48Å; E26-R149 IonicContact OE1-NH1 3.86Å
27	L	69.9	Low	62.1	Low	16 Å²	16	90.8 Å²	90.8	8%	0.084	44%	0.443	C	S	.	.	H	α-helix	trans	-70	-44.4	172	176.6	62.7	0	0	0	113.3	L23 R24 R25 E29 E30 L31 R144 P147	L23-L27 VanDerWaalsContact O-CB 3.31Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 PolarHBondContact O-N 3.39Å; R24-L27 WeakPolarHBondContact O-CB 3.1Å; R24-L27 PolarHBondContact O-N 3.48Å; R25-L27 PolarHBondContact O-N 3.08Å; L27-E29 VanDerWaalsContact C-N 3.25Å; L27-E29 PolarHBondContact O-N 2.91Å; L27-E30 PolarHBondContact O-N 3.24Å; L27-L31 HydrophobicContact CD1-CD1 3.88Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 3.93Å; L27-L31 HydrophobicContact CG-CD1 3.95Å; L27-L31 HydrophobicContact CG-CG 4.38Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.22Å; L27-R144 HydrophobicContact CD1-CG 3.77Å; L27-R144 VanDerWaalsContact CD1-NE 3.34Å; L27-P147 HydrophobicContact CB-CB 4.34Å
28	E	69.9	Low	63.5	Low	128 Å²	128	87.9 Å²	87.9	60%	0.598	43%	0.429	S	S	*	.	H	α-helix	trans	-61.7	-34.7	176	-75.9	167.5	-160.7	0	0	111.8	R24 R25 K32	R24-E28 WeakPolarHBondContact O-CB 3.24Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 2.83Å; R25-E28 PolarHBondContact O-N 3.04Å; R25-E28 VanDerWaalsContact O-N 3.15Å; E28-K32 WeakPolarHBondContact O-CB 3.33Å; E28-K32 PolarHBondContact O-N 3.35Å
29	E	68.6	Low	64.8	Low	127 Å²	127	90 Å²	90	59%	0.593	43%	0.429	S	S	*	.	H	α-helix	trans	-70.6	-46.9	173.5	-72.2	166.1	-169	0	0	111.7	R25 L27 L31 K32	R25-E29 WeakPolarHBondContact O-CB 3.43Å; R25-E29 VanDerWaalsContact O-CG 3.31Å; R25-E29 WeakPolarHBondContact O-CG 3.43Å; R25-E29 PolarHBondContact O-N 3.41Å; L27-E29 VanDerWaalsContact C-N 3.25Å; L27-E29 PolarHBondContact O-N 2.91Å; E29-L31 VanDerWaalsContact C-N 3.3Å; E29-L31 PolarHBondContact O-N 3.13Å; E29-K32 PolarHBondContact O-N 3.32Å; E29-K32 VanDerWaalsContact O-N 3.1Å
30	E	71.6	Confident	65.2	Low	40 Å²	40	87.9 Å²	87.9	19%	0.187	42%	0.415	C	S	.	.	H	α-helix	trans	-55.8	-42.1	172.7	-80.3	-177.8	174.4	0	0	112.4	E26 L27 K32 M33 S40 R144 P147 L148	E26-E30 WeakPolarHBondContact O-CG 3.45Å; E26-E30 PolarHBondContact O-N 3.04Å; L27-E30 PolarHBondContact O-N 3.24Å; E30-K32 PolarHBondContact O-N 2.86Å; E30-M33 WeakPolarHBondContact O-CB 3.31Å; E30-M33 WeakPolarHBondContact O-CG 3.37Å; E30-M33 PolarHBondContact O-N 3.33Å; E30-S40 WeakPolarHBondContact O-CA 3.45Å; E30-R144 IonicContact OE2-CZ 3.22Å; E30-R144 IonicContact OE2-NE 2.72Å; E30-R144 PolarHBondContact OE2-NE 2.82Å; E30-R144 IonicContact OE2-NH2 3.04Å; E30-R144 PolarHBondContact OE2-NH2 2.93Å; E30-P147 WeakPolarHBondContact OE1-CB 3.41Å; E30-P147 VanDerWaalsContact OE2-CA 3.26Å; E30-P147 WeakPolarHBondContact OE2-CA 3.25Å; E30-L148 VanDerWaalsContact CD-N 3.34Å; E30-L148 PolarHBondContact OE1-N 3.03Å; E30-L148 PolarHBondContact OE2-N 3.11Å
31	L	68.4	Low	65.9	Low	64 Å²	64	87.4 Å²	87.4	34%	0.335	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.9	-179.3	-65.7	176.5	0	0	0	113.7	L27 E29 S40 A42	L27-L31 HydrophobicContact CD1-CD1 3.88Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 3.93Å; L27-L31 HydrophobicContact CG-CD1 3.95Å; L27-L31 HydrophobicContact CG-CG 4.38Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.22Å; E29-L31 VanDerWaalsContact C-N 3.3Å; E29-L31 PolarHBondContact O-N 3.13Å; L31-S40 WeakPolarHBondContact CD2-O 3.4Å; L31-A42 HydrophobicContact CD1-CB 4.31Å; L31-A42 HydrophobicContact CD2-CB 3.84Å
32	K	64.4	Low	66.9	Low	184 Å²	184	83.2 Å²	83.2	80%	0.8	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.9	176.4	-160.9	175.5	179.2	-174.9	0	113.1	E28 E29 E30	E28-K32 WeakPolarHBondContact O-CB 3.33Å; E28-K32 PolarHBondContact O-N 3.35Å; E29-K32 PolarHBondContact O-N 3.32Å; E29-K32 VanDerWaalsContact O-N 3.1Å; E30-K32 PolarHBondContact O-N 2.86Å
33	M	60.3	Low	67.6	Low	117 Å²	117	77.8 Å²	77.8	58%	0.576	37%	0.37	S	S	*	.	S	Bend	trans	-67.8	171.3	174.5	-64.5	-63.5	-72.5	0	0	112.2	E30 S40	E30-M33 WeakPolarHBondContact O-CB 3.31Å; E30-M33 WeakPolarHBondContact O-CG 3.37Å; E30-M33 PolarHBondContact O-N 3.33Å; M33-S40 WeakPolarHBondContact O-CB 3.43Å
34	S	48	Very low	68.6	Low	72 Å²	72	76.6 Å²	76.6	50%	0.503	36%	0.363	S	S	.	.			trans	-58	142.7	-172.9	62	0	0	0	0	113.4	E36 E37 S40	S34-E36 PolarHBondContact O-N 2.95Å; S34-E36 VanDerWaalsContact O-N 3.12Å; S34-E37 PolarHBondContact O-N 3.27Å; S34-S40 WeakPolarHBondContact O-CB 3.31Å; S34-S40 PolarHBondContact O-OG 3.47Å
35	S	59.3	Low	69.2	Low	81 Å²	81	71.2 Å²	71.2	57%	0.566	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	10	-173.9	57.6	0	0	0	0	114.8	H41	S35-H41 PolarHBondContact O-CE1 3.23Å
36	E	56.4	Low	69.8	Low	154 Å²	154	63.3 Å²	63.3	72%	0.72	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-26.4	175.5	-57.4	-160.5	132.2	0	0	112.9	S34	S34-E36 PolarHBondContact O-N 2.95Å; S34-E36 VanDerWaalsContact O-N 3.12Å
37	E	68.8	Low	70.2	Confident	73 Å²	73	62.2 Å²	62.2	34%	0.341	31%	0.313	S	S	.	.	S	Bend	trans	-84.4	136.4	177.9	-162.7	176	-178.1	0	0	110.6	S34 R39 S40 H41	S34-E37 PolarHBondContact O-N 3.27Å; E37-R39 HydrophobicContact CG-CB 4.18Å; E37-R39 HydrophobicContact CG-CG 4.29Å; E37-R39 PolarHBondContact O-N 2.99Å; E37-R39 VanDerWaalsContact O-N 3.15Å; E37-R39 VanDerWaalsContact OE1-CD 3.31Å; E37-R39 WeakPolarHBondContact OE1-CD 3.27Å; E37-R39 IonicContact OE1-NE 3.27Å; E37-R39 IonicContact OE1-NH1 3.58Å; E37-S40 PolarHBondContact O-N 3.41Å; E37-S40 PolarHBondContact O-OG 2.69Å; E37-H41 PolarHBondContact O-ND1 3.4Å; E37-H41 VanDerWaalsContact O-ND1 3.13Å
38	P	67.7	Low	70.9	Confident	17 Å²	17	61.7 Å²	61.7	11%	0.11	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62	-21.6	176.4	23.9	-34.2	0	0	0	113.3	S40 H41 Y44 F75	P38-S40 VanDerWaalsContact C-N 3.35Å; P38-S40 PolarHBondContact O-N 3.03Å; P38-H41 WeakPolarHBondContact O-CB 3.45Å; P38-H41 PolarHBondContact O-N 2.74Å; P38-H41 VanDerWaalsContact O-N 3.16Å; P38-Y44 HydrophobicContact CB-CG 4.4Å; P38-Y44 WeakPolarHBondContact O-CB 3.46Å; P38-F75 HydrophobicContact CG-CZ 4.16Å
39	R	67.4	Low	71.5	Confident	99 Å²	99	56.8 Å²	56.8	37%	0.374	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-63.8	-33.8	-178.8	-69	-173.2	168.5	162.3	-20.2	114.2	E37 H41 Y44 R144 L148	E37-R39 HydrophobicContact CG-CB 4.18Å; E37-R39 HydrophobicContact CG-CG 4.29Å; E37-R39 PolarHBondContact O-N 2.99Å; E37-R39 VanDerWaalsContact O-N 3.15Å; E37-R39 VanDerWaalsContact OE1-CD 3.31Å; E37-R39 WeakPolarHBondContact OE1-CD 3.27Å; E37-R39 IonicContact OE1-NE 3.27Å; E37-R39 IonicContact OE1-NH1 3.58Å; R39-H41 PolarHBondContact O-N 2.77Å; R39-Y44 HydrophobicContact CG-CD1 4.36Å; R39-Y44 HydrophobicContact CG-CE1 3.93Å; R39-R144 PolarHBondContact O-NH1 3.07Å; R39-R144 PolarHBondContact O-NH2 3.44Å; R39-L148 HydrophobicContact CB-CD1 3.85Å; R39-L148 HydrophobicContact CG-CD1 3.8Å
40	S	67.6	Low	72.3	Confident	11 Å²	11	56.5 Å²	56.5	8%	0.077	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-72.1	-8.1	176.9	61.3	0	0	0	0	113.9	E30 L31 M33 S34 E37 P38	E30-S40 WeakPolarHBondContact O-CA 3.45Å; L31-S40 WeakPolarHBondContact CD2-O 3.4Å; M33-S40 WeakPolarHBondContact O-CB 3.43Å; S34-S40 WeakPolarHBondContact O-CB 3.31Å; S34-S40 PolarHBondContact O-OG 3.47Å; E37-S40 PolarHBondContact O-N 3.41Å; E37-S40 PolarHBondContact O-OG 2.69Å; P38-S40 VanDerWaalsContact C-N 3.35Å; P38-S40 PolarHBondContact O-N 3.03Å
41	H	74.1	Confident	72.9	Confident	34 Å²	34	61.2 Å²	61.2	16%	0.157	31%	0.305	C	S	.	.	S	Bend	trans	-97.2	126.4	-176.6	-67.8	72.3	0	0	0	111.4	S35 E37 P38 R39 W43 Y44 P117 R144	S35-H41 PolarHBondContact O-CE1 3.23Å; E37-H41 PolarHBondContact O-ND1 3.4Å; E37-H41 VanDerWaalsContact O-ND1 3.13Å; P38-H41 WeakPolarHBondContact O-CB 3.45Å; P38-H41 PolarHBondContact O-N 2.74Å; P38-H41 VanDerWaalsContact O-N 3.16Å; R39-H41 PolarHBondContact O-N 2.77Å; H41-W43 HydrophobicContact CB-CD2 3.88Å; H41-W43 VanDerWaalsContact CB-CE2 3.49Å; H41-W43 HydrophobicContact CB-CE3 4.33Å; H41-W43 HydrophobicContact CB-CG 4.37Å; H41-W43 HydrophobicContact CB-CH2 4.07Å; H41-W43 HydrophobicContact CB-CZ2 3.62Å; H41-W43 HydrophobicContact CB-CZ3 4.4Å; H41-W43 AromaticContact CD2-CE2 3.64Å; H41-W43 AromaticContact CD2-CZ2 3.42Å; H41-W43 VanDerWaalsContact CD2-CZ2 3.42Å; H41-W43 WeakPolarHBondContact CD2-CZ2 3.29Å; H41-W43 AromaticContact CD2-NE1 3.57Å; H41-W43 AromaticContact CG-CE2 3.79Å; H41-W43 AromaticContact CG-CZ2 3.53Å; H41-W43 PolarHBondContact O-N 3.12Å; H41-W43 VanDerWaalsContact O-N 3.13Å; H41-Y44 PolarHBondContact O-N 3.13Å; H41-P117 VanDerWaalsContact CE1-CG 3.49Å; H41-P117 WeakPolarHBondContact CE1-CG 3.46Å; H41-R144 PolarHBondContact O-NH1 2.9Å
42	A	79.5	Confident	73.6	Confident	18 Å²	18	60.4 Å²	60.4	15%	0.149	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.3	-177.9	0	0	0	0	0	114.1	L31 Y44 H45 N143 R144	L31-A42 HydrophobicContact CD1-CB 4.31Å; L31-A42 HydrophobicContact CD2-CB 3.84Å; A42-Y44 VanDerWaalsContact C-N 3.28Å; A42-Y44 PolarHBondContact O-N 3.08Å; A42-H45 PolarHBondContact O-NE2 3.35Å; A42-N143 HydrophobicContact CB-CB 3.87Å; A42-N143 CarbonylContact O-C 3.59Å; A42-N143 WeakPolarHBondContact O-CA 3.17Å; A42-R144 PolarHBondContact O-N 3.07Å
43	W	83.1	Confident	74.5	Confident	27 Å²	27	51.6 Å²	51.6	10%	0.102	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.5	174.6	51.1	-109.6	0	0	0	114.5	H41 F63 L65 V116 P117 I120 P141	H41-W43 HydrophobicContact CB-CD2 3.88Å; H41-W43 VanDerWaalsContact CB-CE2 3.49Å; H41-W43 HydrophobicContact CB-CE3 4.33Å; H41-W43 HydrophobicContact CB-CG 4.37Å; H41-W43 HydrophobicContact CB-CH2 4.07Å; H41-W43 HydrophobicContact CB-CZ2 3.62Å; H41-W43 HydrophobicContact CB-CZ3 4.4Å; H41-W43 AromaticContact CD2-CE2 3.64Å; H41-W43 AromaticContact CD2-CZ2 3.42Å; H41-W43 VanDerWaalsContact CD2-CZ2 3.42Å; H41-W43 WeakPolarHBondContact CD2-CZ2 3.29Å; H41-W43 AromaticContact CD2-NE1 3.57Å; H41-W43 AromaticContact CG-CE2 3.79Å; H41-W43 AromaticContact CG-CZ2 3.53Å; H41-W43 PolarHBondContact O-N 3.12Å; H41-W43 VanDerWaalsContact O-N 3.13Å; W43-F63 HydrophobicContact CB-CE2 4.26Å; W43-F63 HydrophobicContact CD2-CE2 4.47Å; W43-F63 HydrophobicContact CG-CE2 4.2Å; W43-L65 HydrophobicContact CE3-CB 3.76Å; W43-L65 HydrophobicContact CZ3-CB 3.82Å; W43-L65 HydrophobicContact CZ3-CD2 3.71Å; W43-L65 HydrophobicContact CZ3-CG 4.38Å; W43-L65 PolarHBondContact O-N 3.03Å; W43-V116 HydrophobicContact CH2-CG1 4.45Å; W43-P117 HydrophobicContact CH2-CG 4.44Å; W43-I120 HydrophobicContact CD2-CG2 4.5Å; W43-I120 HydrophobicContact CH2-CB 4.26Å; W43-I120 HydrophobicContact CH2-CG1 3.81Å; W43-I120 HydrophobicContact CZ2-CB 4.03Å; W43-I120 HydrophobicContact CZ2-CG1 4.08Å; W43-I120 HydrophobicContact CZ2-CG2 4.05Å; W43-I120 HydrophobicContact CZ3-CG1 4.06Å; W43-P141 HydrophobicContact CB-CB 3.77Å; W43-P141 HydrophobicContact CG-CB 4.26Å
44	Y	85.3	Confident	75.8	Confident	11 Å²	11	48.8 Å²	48.8	4%	0.043	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-93.5	125.3	171.6	175.1	-109.2	0	0	0	110.3	P38 R39 H41 A42 L65 D67 F75 R144 L148	P38-Y44 HydrophobicContact CB-CG 4.4Å; P38-Y44 WeakPolarHBondContact O-CB 3.46Å; R39-Y44 HydrophobicContact CG-CD1 4.36Å; R39-Y44 HydrophobicContact CG-CE1 3.93Å; H41-Y44 PolarHBondContact O-N 3.13Å; A42-Y44 VanDerWaalsContact C-N 3.28Å; A42-Y44 PolarHBondContact O-N 3.08Å; Y44-L65 WeakPolarHBondContact CA-O 3.47Å; Y44-L65 HydrophobicContact CD2-CB 4.12Å; Y44-L65 HydrophobicContact CD2-CD2 3.84Å; Y44-L65 HydrophobicContact CD2-CG 4.07Å; Y44-L65 HydrophobicContact CE2-CD2 4.43Å; Y44-D67 VanDerWaalsContact CE2-OD1 3.31Å; Y44-D67 WeakPolarHBondContact CE2-OD1 3.48Å; Y44-D67 PolarHBondContact OH-OD1 3.45Å; Y44-D67 PolarHBondContact OH-OD2 2.88Å; Y44-F75 HydrophobicContact CE2-CD1 4.01Å; Y44-F75 AromaticContact CE2-CE1 3.89Å; Y44-F75 HydrophobicContact CE2-CE1 3.89Å; Y44-R144 WeakPolarHBondContact O-CD 3.38Å; Y44-R144 PolarHBondContact O-NH1 3.04Å; Y44-L148 HydrophobicContact CD1-CD1 4.01Å; Y44-L148 HydrophobicContact CD1-CD2 3.8Å; Y44-L148 HydrophobicContact CE1-CD1 3.9Å; Y44-L148 HydrophobicContact CE1-CD2 3.88Å
45	H	80.8	Confident	77.5	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.023	25%	0.248	C	C	.	.			trans	-112	-1.9	-171.8	-68.3	-167.9	0	0	0	113.9	A42 I48 L64 L65 I142 N143 R144	A42-H45 PolarHBondContact O-NE2 3.35Å; H45-I48 HydrophobicContact CB-CD1 3.76Å; H45-I48 HydrophobicContact CB-CG1 4.18Å; H45-L64 VanDerWaalsContact CE1-CD2 3.45Å; H45-L64 WeakPolarHBondContact CE1-CD2 3.33Å; H45-L65 PolarHBondContact N-O 2.89Å; H45-I142 WeakPolarHBondContact CE1-CG2 3.28Å; H45-I142 PolarHBondContact NE2-O 3.45Å; H45-N143 VanDerWaalsContact NE2-C 3.28Å; H45-R144 PolarHBondContact NE2-N 3.13Å; H45-R144 VanDerWaalsContact NE2-N 3.18Å
46	G	83.2	Confident	78.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.01	24%	0.237	C	C	.	.			trans	71.5	-148.1	-177	0	0	0	0	0	113.8	I48 R66 D67	G46-I48 PolarHBondContact O-N 2.88Å; G46-R66 CarbonylContact O-C 3.58Å; G46-R66 VanDerWaalsContact O-CA 3.27Å; G46-R66 WeakPolarHBondContact O-CA 3.15Å; G46-R66 WeakPolarHBondContact O-CB 3.29Å; G46-D67 VanDerWaalsContact CA-OD2 3.24Å; G46-D67 WeakPolarHBondContact CA-OD2 3.43Å; G46-D67 PolarHBondContact O-N 3.24Å
47	A	80.9	Confident	80	Confident	28 Å²	28	39.5 Å²	39.5	23%	0.231	20%	0.203	C	C	.	.	S	Bend	trans	-77.8	42.8	-169.8	0	0	0	0	0	115.4	D67 L69	A47-D67 PolarHBondContact N-OD2 3.02Å; A47-D67 VanDerWaalsContact N-OD2 3.1Å; A47-L69 HydrophobicContact CB-CD2 4.11Å
48	I	83	Confident	80.6	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.219	C	C	.	.			trans	-72.3	134.5	-179.2	-67.8	-164.7	0	0	0	112.2	H45 G46 V52 A53 L151 Y155	H45-I48 HydrophobicContact CB-CD1 3.76Å; H45-I48 HydrophobicContact CB-CG1 4.18Å; G46-I48 PolarHBondContact O-N 2.88Å; I48-V52 HydrophobicContact CG2-CB 3.57Å; I48-V52 HydrophobicContact CG2-CG1 3.56Å; I48-A53 HydrophobicContact CG2-CB 4.44Å; I48-L151 HydrophobicContact CD1-CD1 4.32Å; I48-L151 HydrophobicContact CD1-CD2 4.18Å; I48-Y155 HydrophobicContact CD1-CD2 4.37Å; I48-Y155 HydrophobicContact CD1-CE2 4.2Å; I48-Y155 HydrophobicContact CG1-CD2 4.08Å; I48-Y155 HydrophobicContact CG1-CE2 4.4Å
49	P	84.2	Confident	81.4	Confident	25 Å²	25	48.4 Å²	48.4	16%	0.162	24%	0.238	C	C	.	.			trans	-56.9	149.9	172.9	-27.4	35.3	0	0	0	114.2	Q51 V52 A53 L69	P49-Q51 VanDerWaalsContact C-N 3.31Å; P49-Q51 PolarHBondContact O-N 3.44Å; P49-V52 HydrophobicContact CB-CG2 4.35Å; P49-V52 PolarHBondContact O-N 2.88Å; P49-V52 VanDerWaalsContact O-N 3.13Å; P49-A53 PolarHBondContact O-N 3.01Å; P49-A53 VanDerWaalsContact O-N 3.08Å; P49-L69 HydrophobicContact CB-CD1 4.48Å
50	R	83.4	Confident	82.2	Confident	122 Å²	122	46.5 Å²	46.5	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-50.7	-49.9	-177.9	-177.5	-173.6	162.3	149.5	7.7	112.1	V52 A53 E54 H87	R50-V52 VanDerWaalsContact C-N 3.31Å; R50-V52 PolarHBondContact O-N 3.21Å; R50-A53 WeakPolarHBondContact O-CB 3.22Å; R50-A53 PolarHBondContact O-N 2.95Å; R50-A53 VanDerWaalsContact O-N 3.13Å; R50-E54 HydrophobicContact CG-CG 4.3Å; R50-E54 IonicContact CZ-OE1 2.57Å; R50-E54 IonicContact NE-OE1 2.88Å; R50-E54 PolarHBondContact NE-OE1 1.86Å; R50-E54 IonicContact NE-OE2 2.84Å; R50-E54 IonicContact NH2-OE1 2.71Å; R50-E54 PolarHBondContact NH2-OE1 3.39Å; R50-E54 WeakPolarHBondContact O-CG 3.41Å; R50-E54 PolarHBondContact O-N 2.79Å; R50-H87 WeakPolarHBondContact CG-NE2 3.05Å; R50-H87 VanDerWaalsContact CZ-CD2 3.49Å; R50-H87 PolarHBondContact NE-NE2 3.45Å; R50-H87 VanDerWaalsContact NE-NE2 3.12Å; R50-H87 PolarHBondContact NH2-NE2 3.44Å
51	Q	84.3	Confident	82.8	Confident	139 Å²	139	46 Å²	46	65%	0.65	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-35	-175.4	-58.9	84	-10.7	0	0	112.7	P49 E54 G55	P49-Q51 VanDerWaalsContact C-N 3.31Å; P49-Q51 PolarHBondContact O-N 3.44Å; Q51-E54 WeakPolarHBondContact CA-OE2 3.49Å; Q51-G55 PolarHBondContact O-N 2.99Å; Q51-G55 VanDerWaalsContact O-N 3.16Å
52	V	83.5	Confident	83.5	Confident	46 Å²	46	44.5 Å²	44.5	28%	0.279	23%	0.225	S	C	.	.	H	α-helix	trans	-73.5	-38.5	176.9	178.5	0	0	0	0	110.1	I48 P49 R50 G55 L56 Y155	I48-V52 HydrophobicContact CG2-CB 3.57Å; I48-V52 HydrophobicContact CG2-CG1 3.56Å; P49-V52 HydrophobicContact CB-CG2 4.35Å; P49-V52 PolarHBondContact O-N 2.88Å; P49-V52 VanDerWaalsContact O-N 3.13Å; R50-V52 VanDerWaalsContact C-N 3.31Å; R50-V52 PolarHBondContact O-N 3.21Å; V52-G55 PolarHBondContact O-N 3.26Å; V52-L56 HydrophobicContact CG1-CD1 4.35Å; V52-L56 VanDerWaalsContact O-CG 3.32Å; V52-L56 WeakPolarHBondContact O-CG 3.5Å; V52-L56 PolarHBondContact O-N 2.81Å; V52-Y155 HydrophobicContact CG1-CE2 4.45Å; V52-Y155 HydrophobicContact CG2-CE1 4.3Å
53	A	84.4	Confident	84	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-39.4	173.7	0	0	0	0	0	112.7	I48 P49 R50 G55 L56 V57 L64 T78	I48-A53 HydrophobicContact CG2-CB 4.44Å; P49-A53 PolarHBondContact O-N 3.01Å; P49-A53 VanDerWaalsContact O-N 3.08Å; R50-A53 WeakPolarHBondContact O-CB 3.22Å; R50-A53 PolarHBondContact O-N 2.95Å; R50-A53 VanDerWaalsContact O-N 3.13Å; A53-G55 VanDerWaalsContact C-N 3.33Å; A53-G55 PolarHBondContact O-N 3.18Å; A53-L56 PolarHBondContact O-N 2.83Å; A53-V57 PolarHBondContact O-N 3.03Å; A53-L64 HydrophobicContact CB-CD1 4.04Å; A53-L64 HydrophobicContact CB-CD2 4.28Å; A53-T78 HydrophobicContact CB-CG2 4.1Å
54	E	87	Confident	84.3	Confident	58 Å²	58	42.5 Å²	42.5	27%	0.271	21%	0.214	S	C	.	.	H	α-helix	trans	-61.6	-38.8	174.2	-69.9	170.8	139.5	0	0	111.6	R50 Q51 L56 A85 H87	R50-E54 HydrophobicContact CG-CG 4.3Å; R50-E54 IonicContact CZ-OE1 2.57Å; R50-E54 IonicContact NE-OE1 2.88Å; R50-E54 PolarHBondContact NE-OE1 1.86Å; R50-E54 IonicContact NE-OE2 2.84Å; R50-E54 IonicContact NH2-OE1 2.71Å; R50-E54 PolarHBondContact NH2-OE1 3.39Å; R50-E54 WeakPolarHBondContact O-CG 3.41Å; R50-E54 PolarHBondContact O-N 2.79Å; Q51-E54 WeakPolarHBondContact CA-OE2 3.49Å; E54-L56 VanDerWaalsContact C-N 3.27Å; E54-L56 PolarHBondContact O-N 3.33Å; E54-A85 HydrophobicContact CB-CB 4.23Å; E54-A85 HydrophobicContact CG-CB 3.75Å; E54-H87 IonicContact OE1-NE2 3.78Å; E54-H87 PolarHBondContact OE1-NE2 2.85Å
55	G	82.7	Confident	84.5	Confident	45 Å²	45	42 Å²	42	46%	0.464	21%	0.211	S	C	.	.	H	α-helix	trans	-71.1	-14.4	175.1	0	0	0	0	0	115.6	Q51 V52 A53 Q58	Q51-G55 PolarHBondContact O-N 2.99Å; Q51-G55 VanDerWaalsContact O-N 3.16Å; V52-G55 PolarHBondContact O-N 3.26Å; A53-G55 VanDerWaalsContact C-N 3.33Å; A53-G55 PolarHBondContact O-N 3.18Å; G55-Q58 PolarHBondContact O-NE2 3.46Å
56	L	83.3	Confident	84.8	Confident	64 Å²	64	42.6 Å²	42.6	34%	0.335	21%	0.214	S	C	.	.	H	α-helix	trans	-93.9	-22	-179.5	-73.3	168.7	0	0	0	113.7	V52 A53 E54 L64 I142	V52-L56 HydrophobicContact CG1-CD1 4.35Å; V52-L56 VanDerWaalsContact O-CG 3.32Å; V52-L56 WeakPolarHBondContact O-CG 3.5Å; V52-L56 PolarHBondContact O-N 2.81Å; A53-L56 PolarHBondContact O-N 2.83Å; E54-L56 VanDerWaalsContact C-N 3.27Å; E54-L56 PolarHBondContact O-N 3.33Å; L56-L64 HydrophobicContact CB-CD2 3.79Å; L56-L64 HydrophobicContact CD1-CD2 4.24Å; L56-I142 HydrophobicContact CB-CG2 4.5Å
57	V	85.4	Confident	84.9	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	22%	0.222	C	C	.	.			trans	-101.2	105.5	176.1	-64.6	0	0	0	0	109.7	A53 D62 L64 T78 Q80 A85 I142	A53-V57 PolarHBondContact O-N 3.03Å; V57-D62 HydrophobicContact CB-CB 4.13Å; V57-D62 HydrophobicContact CG1-CB 4.32Å; V57-L64 HydrophobicContact CG1-CD2 3.92Å; V57-L64 HydrophobicContact CG1-CG 4.27Å; V57-T78 HydrophobicContact CG2-CG2 4.09Å; V57-Q80 HydrophobicContact CB-CB 3.9Å; V57-Q80 HydrophobicContact CG2-CB 4.01Å; V57-A85 HydrophobicContact CG2-CB 4.5Å; V57-I142 HydrophobicContact CG1-CG1 4.21Å
58	Q	82.3	Confident	84.8	Confident	143 Å²	143	43.6 Å²	43.6	67%	0.668	22%	0.216	S	C	*	.			trans	-111.6	-23.6	-165.4	-64.3	-175	4.3	0	0	114	G55 D62	G55-Q58 PolarHBondContact O-NE2 3.46Å; Q58-D62 PolarHBondContact N-OD2 2.92Å
59	R	83.6	Confident	84.4	Confident	135 Å²	135	47.9 Å²	47.9	51%	0.509	24%	0.238	S	C	.	.	S	Bend	trans	-126.1	147.8	-178.9	-55.6	163.1	-59.8	146	16.7	110.5	G61 D62 Q80	R59-G61 PolarHBondContact O-N 2.89Å; R59-G61 VanDerWaalsContact O-N 3.13Å; R59-D62 WeakPolarHBondContact CB-OD2 3.4Å; R59-D62 IonicContact CZ-OD1 2.74Å; R59-D62 IonicContact CZ-OD2 2.68Å; R59-D62 PolarHBondContact N-OD2 3.08Å; R59-D62 IonicContact NE-OD1 3.09Å; R59-D62 IonicContact NE-OD2 3.69Å; R59-D62 PolarHBondContact NE-OD2 2.89Å; R59-D62 IonicContact NH2-OD1 3.83Å; R59-D62 PolarHBondContact NH2-OD1 2.82Å; R59-D62 IonicContact NH2-OD2 3.22Å; R59-D62 VanDerWaalsContact O-CB 3.24Å; R59-D62 WeakPolarHBondContact O-CB 3.35Å; R59-D62 PolarHBondContact O-N 2.83Å; R59-Q80 WeakPolarHBondContact O-CB 3.21Å
60	D	84	Confident	83.9	Confident	58 Å²	58	52.4 Å²	52.4	31%	0.31	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	118.7	-179.9	-79	2.7	0	0	0	112.1	Q80 W81 R82 N83 F139	D60-Q80 WeakPolarHBondContact CA-O 3.33Å; D60-W81 HydrophobicContact CB-CE3 4.13Å; D60-W81 HydrophobicContact CB-CZ3 4.48Å; D60-W81 VanDerWaalsContact OD1-C 3.28Å; D60-W81 VanDerWaalsContact OD1-CA 3.29Å; D60-W81 WeakPolarHBondContact OD1-CA 3.41Å; D60-R82 PolarHBondContact OD1-N 3.1Å; D60-R82 VanDerWaalsContact OD2-CA 3.22Å; D60-R82 WeakPolarHBondContact OD2-CA 3.39Å; D60-R82 PolarHBondContact OD2-N 2.96Å; D60-N83 PolarHBondContact OD1-N 2.87Å; D60-F139 WeakPolarHBondContact O-CZ 3.49Å
61	G	80.6	Confident	83.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-7.8	-176.7	0	0	0	0	0	116.1	R59 Q80 I137 F139 Q140	R59-G61 PolarHBondContact O-N 2.89Å; R59-G61 VanDerWaalsContact O-N 3.13Å; G61-Q80 PolarHBondContact N-O 2.87Å; G61-I137 WeakPolarHBondContact CA-O 3.34Å; G61-F139 PolarHBondContact O-N 3.1Å; G61-F139 VanDerWaalsContact O-N 3.1Å; G61-Q140 PolarHBondContact O-N 3.29Å
62	D	88.8	Confident	82.5	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.5	165.1	-73.7	-26.3	0	0	0	109.8	V57 Q58 R59 C79 Q80 Q140 I142	V57-D62 HydrophobicContact CB-CB 4.13Å; V57-D62 HydrophobicContact CG1-CB 4.32Å; Q58-D62 PolarHBondContact N-OD2 2.92Å; R59-D62 WeakPolarHBondContact CB-OD2 3.4Å; R59-D62 IonicContact CZ-OD1 2.74Å; R59-D62 IonicContact CZ-OD2 2.68Å; R59-D62 PolarHBondContact N-OD2 3.08Å; R59-D62 IonicContact NE-OD1 3.09Å; R59-D62 IonicContact NE-OD2 3.69Å; R59-D62 PolarHBondContact NE-OD2 2.89Å; R59-D62 IonicContact NH2-OD1 3.83Å; R59-D62 PolarHBondContact NH2-OD1 2.82Å; R59-D62 IonicContact NH2-OD2 3.22Å; R59-D62 VanDerWaalsContact O-CB 3.24Å; R59-D62 WeakPolarHBondContact O-CB 3.35Å; R59-D62 PolarHBondContact O-N 2.83Å; D62-C79 CarbonylContact O-C 3.59Å; D62-C79 WeakPolarHBondContact O-CA 3.2Å; D62-C79 VanDerWaalsContact O-CB 3.22Å; D62-C79 WeakPolarHBondContact O-CB 3.16Å; D62-Q80 PolarHBondContact O-N 3.47Å; D62-Q140 CarbonylContact C-O 3.6Å; D62-Q140 WeakPolarHBondContact CA-O 3.29Å; D62-Q140 WeakPolarHBondContact OD1-CG 3.23Å; D62-I142 HydrophobicContact CB-CD1 3.92Å; D62-I142 HydrophobicContact CB-CG1 4.12Å
63	F	89.9	Confident	81.8	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.2	179.3	80.3	-89	0	0	0	114.4	W43 L77 T78 C79 I120 V124 I138 Q140 P141 I142	W43-F63 HydrophobicContact CB-CE2 4.26Å; W43-F63 HydrophobicContact CD2-CE2 4.47Å; W43-F63 HydrophobicContact CG-CE2 4.2Å; F63-L77 HydrophobicContact CB-CD1 4.13Å; F63-L77 HydrophobicContact CD2-CD1 3.76Å; F63-L77 HydrophobicContact CG-CD1 4.32Å; F63-T78 CarbonylContact C-O 3.54Å; F63-T78 VanDerWaalsContact CA-O 3.29Å; F63-T78 WeakPolarHBondContact CA-O 3.27Å; F63-C79 HydrophobicContact CB-CB 3.72Å; F63-I120 HydrophobicContact CE2-CD1 4.4Å; F63-I120 HydrophobicContact CE2-CG2 3.68Å; F63-I120 HydrophobicContact CZ-CG2 3.76Å; F63-V124 HydrophobicContact CE1-CG2 3.6Å; F63-V124 HydrophobicContact CZ-CG2 3.68Å; F63-I138 HydrophobicContact CB-CB 4.04Å; F63-I138 HydrophobicContact CB-CG2 3.68Å; F63-I138 HydrophobicContact CD1-CB 3.73Å; F63-I138 HydrophobicContact CD1-CD1 4.32Å; F63-I138 HydrophobicContact CD1-CG2 4.36Å; F63-I138 HydrophobicContact CD2-CD1 4.25Å; F63-I138 HydrophobicContact CE1-CB 4.4Å; F63-I138 HydrophobicContact CE1-CD1 4.44Å; F63-I138 HydrophobicContact CE2-CD1 4.39Å; F63-I138 HydrophobicContact CG-CB 3.95Å; F63-I138 HydrophobicContact CG-CD1 4.22Å; F63-I138 HydrophobicContact CG-CG2 4.12Å; F63-I138 HydrophobicContact CZ-CD1 4.48Å; F63-Q140 VanDerWaalsContact CD1-C 3.42Å; F63-Q140 WeakPolarHBondContact CD1-O 3.46Å; F63-Q140 VanDerWaalsContact CE1-C 3.49Å; F63-Q140 PolarHBondContact N-O 2.7Å; F63-P141 HydrophobicContact CE1-CB 4.01Å; F63-P141 HydrophobicContact CE2-CB 4.44Å; F63-P141 HydrophobicContact CZ-CB 3.84Å; F63-I142 PolarHBondContact O-N 2.8Å
64	L	89.2	Confident	81.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.9	170	66.1	89.4	0	0	0	110.8	H45 A53 L56 V57 R66 T78 I142	H45-L64 VanDerWaalsContact CE1-CD2 3.45Å; H45-L64 WeakPolarHBondContact CE1-CD2 3.33Å; A53-L64 HydrophobicContact CB-CD1 4.04Å; A53-L64 HydrophobicContact CB-CD2 4.28Å; L56-L64 HydrophobicContact CB-CD2 3.79Å; L56-L64 HydrophobicContact CD1-CD2 4.24Å; V57-L64 HydrophobicContact CG1-CD2 3.92Å; V57-L64 HydrophobicContact CG1-CG 4.27Å; L64-R66 HydrophobicContact CD1-CB 4.09Å; L64-R66 HydrophobicContact CD1-CG 4.32Å; L64-T78 PolarHBondContact N-O 3.01Å; L64-T78 PolarHBondContact O-N 2.95Å; L64-I142 HydrophobicContact CB-CB 4.43Å
65	L	89.4	Confident	81.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.8	170.9	-167.6	76.5	0	0	0	110.3	W43 Y44 H45 F75 L77 I90 V116	W43-L65 HydrophobicContact CE3-CB 3.76Å; W43-L65 HydrophobicContact CZ3-CB 3.82Å; W43-L65 HydrophobicContact CZ3-CD2 3.71Å; W43-L65 HydrophobicContact CZ3-CG 4.38Å; W43-L65 PolarHBondContact O-N 3.03Å; Y44-L65 WeakPolarHBondContact CA-O 3.47Å; Y44-L65 HydrophobicContact CD2-CB 4.12Å; Y44-L65 HydrophobicContact CD2-CD2 3.84Å; Y44-L65 HydrophobicContact CD2-CG 4.07Å; Y44-L65 HydrophobicContact CE2-CD2 4.43Å; H45-L65 PolarHBondContact N-O 2.89Å; L65-F75 HydrophobicContact CD1-CB 3.94Å; L65-F75 HydrophobicContact CD2-CB 4.2Å; L65-F75 HydrophobicContact CD2-CD1 4.26Å; L65-F75 HydrophobicContact CD2-CG 4.18Å; L65-F75 HydrophobicContact CG-CB 4.22Å; L65-L77 HydrophobicContact CD1-CB 4.2Å; L65-I90 HydrophobicContact CD1-CD1 3.6Å; L65-V116 HydrophobicContact CD2-CG1 3.5Å
66	R	87.6	Confident	81.9	Confident	18 Å²	18	45.4 Å²	45.4	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	165.9	175.3	65.5	-173.7	-178.6	83.2	-2.6	110.9	G46 L64 V76 T78	G46-R66 CarbonylContact O-C 3.58Å; G46-R66 VanDerWaalsContact O-CA 3.27Å; G46-R66 WeakPolarHBondContact O-CA 3.15Å; G46-R66 WeakPolarHBondContact O-CB 3.29Å; L64-R66 HydrophobicContact CD1-CB 4.09Å; L64-R66 HydrophobicContact CD1-CG 4.32Å; R66-V76 HydrophobicContact CG-CB 4.12Å; R66-V76 PolarHBondContact N-O 2.9Å; R66-V76 PolarHBondContact O-N 2.95Å; R66-T78 PolarHBondContact NE-OG1 2.95Å
67	D	84.5	Confident	82.1	Confident	33 Å²	33	42.4 Å²	42.4	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	154.3	175.7	-52.7	-46.3	0	0	0	111.8	Y44 G46 A47 L69 F75	Y44-D67 VanDerWaalsContact CE2-OD1 3.31Å; Y44-D67 WeakPolarHBondContact CE2-OD1 3.48Å; Y44-D67 PolarHBondContact OH-OD1 3.45Å; Y44-D67 PolarHBondContact OH-OD2 2.88Å; G46-D67 VanDerWaalsContact CA-OD2 3.24Å; G46-D67 WeakPolarHBondContact CA-OD2 3.43Å; G46-D67 PolarHBondContact O-N 3.24Å; A47-D67 PolarHBondContact N-OD2 3.02Å; A47-D67 VanDerWaalsContact N-OD2 3.1Å; D67-L69 PolarHBondContact O-N 3.27Å; D67-F75 VanDerWaalsContact OD1-CD1 3.26Å; D67-F75 WeakPolarHBondContact OD1-CD1 3.44Å; D67-F75 VanDerWaalsContact OD1-CE1 3.25Å; D67-F75 WeakPolarHBondContact OD1-CE1 3.44Å
68	S	80.4	Confident	82.3	Confident	16 Å²	16	42.3 Å²	42.3	11%	0.112	24%	0.243	C	C	.	.			trans	-85.4	95.8	176	-168.5	0	0	0	0	111.3	S70 S71 S74	S68-S70 PolarHBondContact O-N 2.94Å; S68-S71 WeakPolarHBondContact CB-O 3.38Å; S68-S71 WeakPolarHBondContact CB-OG 3.43Å; S68-S71 CarbonylContact O-C 3.58Å; S68-S71 VanDerWaalsContact O-C 3.28Å; S68-S71 PolarHBondContact O-N 3.25Å; S68-S71 PolarHBondContact OG-N 3.02Å; S68-S71 PolarHBondContact OG-OG 3.04Å; S68-S74 WeakPolarHBondContact CB-O 3.26Å; S68-S74 PolarHBondContact N-O 3.32Å
69	L	74.8	Confident	82.7	Confident	94 Å²	94	35.6 Å²	35.6	49%	0.492	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.1	172.9	-61.8	-180	0	0	0	113.5	A47 P49 D67	A47-L69 HydrophobicContact CB-CD2 4.11Å; P49-L69 HydrophobicContact CB-CD1 4.48Å; D67-L69 PolarHBondContact O-N 3.27Å
70	S	72.9	Confident	82.9	Confident	121 Å²	121	30.2 Å²	30.2	85%	0.846	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.6	179.2	-46.9	0	0	0	0	114.3	S68	S68-S70 PolarHBondContact O-N 2.94Å
71	S	71.7	Confident	82.9	Confident	24 Å²	24	29.7 Å²	29.7	17%	0.168	19%	0.186	C	C	.	.	S	Bend	trans	-155.4	94.3	175.9	49.7	0	0	0	0	111.2	S68 S74 K89	S68-S71 WeakPolarHBondContact CB-O 3.38Å; S68-S71 WeakPolarHBondContact CB-OG 3.43Å; S68-S71 CarbonylContact O-C 3.58Å; S68-S71 VanDerWaalsContact O-C 3.28Å; S68-S71 PolarHBondContact O-N 3.25Å; S68-S71 PolarHBondContact OG-N 3.02Å; S68-S71 PolarHBondContact OG-OG 3.04Å; S71-S74 WeakPolarHBondContact O-CB 3.43Å; S71-S74 PolarHBondContact O-N 2.85Å; S71-K89 PolarHBondContact OG-NZ 3.31Å
72	P	67.1	Low	83.1	Confident	130 Å²	130	38.7 Å²	38.7	84%	0.844	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	144.7	-174.6	24	-33.9	0	0	0	111.9	S74	P72-S74 PolarHBondContact O-N 2.87Å
73	G	68.1	Low	82.6	Confident	55 Å²	55	45 Å²	45	57%	0.567	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-0.1	-175.7	0	0	0	0	0	115.6
74	S	80.9	Confident	82.3	Confident	17 Å²	17	46.9 Å²	46.9	12%	0.119	27%	0.269	C	S	.	.			trans	-102	144.5	167.3	-57.2	0	0	0	0	111.2	S68 S71 P72 K89	S68-S74 WeakPolarHBondContact CB-O 3.26Å; S68-S74 PolarHBondContact N-O 3.32Å; S71-S74 WeakPolarHBondContact O-CB 3.43Å; S71-S74 PolarHBondContact O-N 2.85Å; P72-S74 PolarHBondContact O-N 2.87Å; S74-K89 VanDerWaalsContact OG-CE 3.3Å; S74-K89 WeakPolarHBondContact OG-CE 3.44Å; S74-K89 PolarHBondContact OG-NZ 3.39Å
75	F	85.8	Confident	82.2	Confident	28 Å²	28	48 Å²	48	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	161.4	173.9	-58.1	-71.4	0	0	0	111.2	P38 Y44 L65 D67 I90 Y106 V116	P38-F75 HydrophobicContact CG-CZ 4.16Å; Y44-F75 HydrophobicContact CE2-CD1 4.01Å; Y44-F75 AromaticContact CE2-CE1 3.89Å; Y44-F75 HydrophobicContact CE2-CE1 3.89Å; L65-F75 HydrophobicContact CD1-CB 3.94Å; L65-F75 HydrophobicContact CD2-CB 4.2Å; L65-F75 HydrophobicContact CD2-CD1 4.26Å; L65-F75 HydrophobicContact CD2-CG 4.18Å; L65-F75 HydrophobicContact CG-CB 4.22Å; D67-F75 VanDerWaalsContact OD1-CD1 3.26Å; D67-F75 WeakPolarHBondContact OD1-CD1 3.44Å; D67-F75 VanDerWaalsContact OD1-CE1 3.25Å; D67-F75 WeakPolarHBondContact OD1-CE1 3.44Å; F75-I90 HydrophobicContact CB-CB 4.23Å; F75-I90 PolarHBondContact N-O 3.36Å; F75-I90 VanDerWaalsContact N-O 3.12Å; F75-I90 PolarHBondContact O-N 2.93Å; F75-Y106 HydrophobicContact CD2-CD1 4.37Å; F75-Y106 HydrophobicContact CD2-CE1 4.25Å; F75-Y106 HydrophobicContact CE2-CD1 4.36Å; F75-Y106 AromaticContact CE2-CE1 3.81Å; F75-Y106 HydrophobicContact CE2-CE1 3.81Å; F75-V116 HydrophobicContact CD2-CG2 3.88Å; F75-V116 HydrophobicContact CE2-CG2 3.8Å
76	V	88.8	Confident	82.1	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	113.9	174.9	-174.8	0	0	0	0	109.2	R66 T78 H87 F88	R66-V76 HydrophobicContact CG-CB 4.12Å; R66-V76 PolarHBondContact N-O 2.9Å; R66-V76 PolarHBondContact O-N 2.95Å; V76-T78 PolarHBondContact O-N 2.72Å; V76-H87 HydrophobicContact CG1-CB 3.81Å; V76-F88 WeakPolarHBondContact CA-O 3.41Å
77	L	89	Confident	82.1	Confident	1 Å²	1	52 Å²	52	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.2	167.4	174.5	60.7	0	0	0	107.9	F63 L65 H87 F88 I90 L108 I120 V130 I138	F63-L77 HydrophobicContact CB-CD1 4.13Å; F63-L77 HydrophobicContact CD2-CD1 3.76Å; F63-L77 HydrophobicContact CG-CD1 4.32Å; L65-L77 HydrophobicContact CD1-CB 4.2Å; L77-H87 WeakPolarHBondContact O-CA 3.42Å; L77-F88 PolarHBondContact N-O 2.93Å; L77-F88 PolarHBondContact O-N 3.34Å; L77-I90 HydrophobicContact CB-CD1 3.93Å; L77-L108 HydrophobicContact CD2-CD2 4.1Å; L77-I120 HydrophobicContact CD1-CD1 4.02Å; L77-I120 HydrophobicContact CD2-CD1 4.39Å; L77-V130 HydrophobicContact CD2-CG1 3.83Å; L77-V130 HydrophobicContact CD2-CG2 4.17Å; L77-I138 HydrophobicContact CD1-CD1 4.36Å; L77-I138 HydrophobicContact CD2-CD1 4.04Å
78	T	88.4	Confident	82.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.6	176.2	-61.3	0	0	0	0	108.7	A53 V57 F63 L64 R66 V76 Q86 H87	A53-T78 HydrophobicContact CB-CG2 4.1Å; V57-T78 HydrophobicContact CG2-CG2 4.09Å; F63-T78 CarbonylContact C-O 3.54Å; F63-T78 VanDerWaalsContact CA-O 3.29Å; F63-T78 WeakPolarHBondContact CA-O 3.27Å; L64-T78 PolarHBondContact N-O 3.01Å; L64-T78 PolarHBondContact O-N 2.95Å; R66-T78 PolarHBondContact NE-OG1 2.95Å; V76-T78 PolarHBondContact O-N 2.72Å; T78-Q86 WeakPolarHBondContact CA-O 3.33Å; T78-H87 WeakPolarHBondContact CG2-CE1 3.37Å; T78-H87 WeakPolarHBondContact CG2-ND1 3.38Å; T78-H87 PolarHBondContact OG1-ND1 3.15Å
79	C	90.6	Very high	82.5	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.5	176.1	63.8	0	0	0	0	112.3	D62 F63 Q86 I138	D62-C79 CarbonylContact O-C 3.59Å; D62-C79 WeakPolarHBondContact O-CA 3.2Å; D62-C79 VanDerWaalsContact O-CB 3.22Å; D62-C79 WeakPolarHBondContact O-CB 3.16Å; F63-C79 HydrophobicContact CB-CB 3.72Å; C79-Q86 PolarHBondContact N-O 2.85Å; C79-Q86 PolarHBondContact O-N 2.86Å; C79-I138 HydrophobicContact CB-CG2 3.62Å
80	Q	88.6	Confident	83	Confident	23 Å²	23	51.1 Å²	51.1	11%	0.107	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.3	174.3	-178	72.1	-19.7	0	0	109.5	V57 R59 D60 G61 D62 N83 A84 A85	V57-Q80 HydrophobicContact CB-CB 3.9Å; V57-Q80 HydrophobicContact CG2-CB 4.01Å; R59-Q80 WeakPolarHBondContact O-CB 3.21Å; D60-Q80 WeakPolarHBondContact CA-O 3.33Å; G61-Q80 PolarHBondContact N-O 2.87Å; D62-Q80 PolarHBondContact O-N 3.47Å; Q80-N83 VanDerWaalsContact NE2-C 3.26Å; Q80-N83 PolarHBondContact NE2-O 3.03Å; Q80-A84 PolarHBondContact OE1-O 2.87Å; Q80-A85 VanDerWaalsContact OE1-CA 3.3Å
81	W	84.8	Confident	83.4	Confident	47 Å²	47	47.6 Å²	47.6	18%	0.178	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	133.7	175.2	-165.8	-110.7	0	0	0	112.6	D60 N83 A84 Q86 G135 A136 I137	D60-W81 HydrophobicContact CB-CE3 4.13Å; D60-W81 HydrophobicContact CB-CZ3 4.48Å; D60-W81 VanDerWaalsContact OD1-C 3.28Å; D60-W81 VanDerWaalsContact OD1-CA 3.29Å; D60-W81 WeakPolarHBondContact OD1-CA 3.41Å; W81-N83 PolarHBondContact O-N 3Å; W81-A84 PolarHBondContact N-O 3.13Å; W81-A84 PolarHBondContact O-N 3.46Å; W81-Q86 HydrophobicContact CB-CG 4.4Å; W81-G135 WeakPolarHBondContact CZ2-O 3.43Å; W81-G135 PolarHBondContact NE1-O 2.87Å; W81-G135 VanDerWaalsContact NE1-O 3.08Å; W81-A136 HydrophobicContact CB-CB 3.86Å; W81-A136 VanDerWaalsContact CD1-CA 3.49Å; W81-A136 HydrophobicContact CD2-CB 4.31Å; W81-A136 HydrophobicContact CG-CB 3.74Å; W81-I137 HydrophobicContact CH2-CB 3.72Å; W81-I137 HydrophobicContact CH2-CD1 4.13Å; W81-I137 HydrophobicContact CH2-CG1 4.03Å; W81-I137 HydrophobicContact CZ2-CB 4.27Å; W81-I137 HydrophobicContact CZ2-CD1 4.31Å; W81-I137 HydrophobicContact CZ2-CG1 4.15Å; W81-I137 HydrophobicContact CZ3-CB 3.99Å; W81-I137 WeakPolarHBondContact CZ3-O 3.31Å
82	R	83.3	Confident	83.8	Confident	189 Å²	189	50.2 Å²	50.2	71%	0.713	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	41	-171.9	-61.3	175.9	175.9	177.1	-1	112.4	D60 A84	D60-R82 PolarHBondContact OD1-N 3.1Å; D60-R82 VanDerWaalsContact OD2-CA 3.22Å; D60-R82 WeakPolarHBondContact OD2-CA 3.39Å; D60-R82 PolarHBondContact OD2-N 2.96Å; R82-A84 PolarHBondContact O-N 2.97Å
83	N	79.8	Confident	84.2	Confident	136 Å²	136	49.9 Å²	49.9	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	17.8	-173.2	-60.8	-47.1	0	0	0	115.3	D60 Q80 W81	D60-N83 PolarHBondContact OD1-N 2.87Å; Q80-N83 VanDerWaalsContact NE2-C 3.26Å; Q80-N83 PolarHBondContact NE2-O 3.03Å; W81-N83 PolarHBondContact O-N 3Å
84	A	83.6	Confident	84.6	Confident	42 Å²	42	51.3 Å²	51.3	35%	0.347	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.9	176.8	0	0	0	0	0	111.6	Q80 W81 R82 Q86	Q80-A84 PolarHBondContact OE1-O 2.87Å; W81-A84 PolarHBondContact N-O 3.13Å; W81-A84 PolarHBondContact O-N 3.46Å; R82-A84 PolarHBondContact O-N 2.97Å; A84-Q86 PolarHBondContact O-N 3.4Å
85	A	86.1	Confident	84.2	Confident	25 Å²	25	52 Å²	52	21%	0.207	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.3	178.6	0	0	0	0	0	110.5	E54 V57 Q80	E54-A85 HydrophobicContact CB-CB 4.23Å; E54-A85 HydrophobicContact CG-CB 3.75Å; V57-A85 HydrophobicContact CG2-CB 4.5Å; Q80-A85 VanDerWaalsContact OE1-CA 3.3Å
86	Q	87.2	Confident	83.5	Confident	54 Å²	54	56.8 Å²	56.8	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.6	-178.7	-56.7	-59.8	-30.7	0	0	110.2	T78 C79 W81 A84 F88 V134	T78-Q86 WeakPolarHBondContact CA-O 3.33Å; C79-Q86 PolarHBondContact N-O 2.85Å; C79-Q86 PolarHBondContact O-N 2.86Å; W81-Q86 HydrophobicContact CB-CG 4.4Å; A84-Q86 PolarHBondContact O-N 3.4Å; Q86-F88 HydrophobicContact CB-CD2 4.47Å; Q86-F88 HydrophobicContact CB-CE2 3.63Å; Q86-F88 HydrophobicContact CB-CZ 3.86Å; Q86-F88 HydrophobicContact CG-CZ 4.48Å; Q86-V134 HydrophobicContact CG-CG1 4.03Å
87	H	87.9	Confident	82.2	Confident	48 Å²	48	61.4 Å²	61.4	22%	0.222	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.4	179	-56.4	-66.5	0	0	0	110.5	R50 E54 V76 L77 T78	R50-H87 WeakPolarHBondContact CG-NE2 3.05Å; R50-H87 VanDerWaalsContact CZ-CD2 3.49Å; R50-H87 PolarHBondContact NE-NE2 3.45Å; R50-H87 VanDerWaalsContact NE-NE2 3.12Å; R50-H87 PolarHBondContact NH2-NE2 3.44Å; E54-H87 IonicContact OE1-NE2 3.78Å; E54-H87 PolarHBondContact OE1-NE2 2.85Å; V76-H87 HydrophobicContact CG1-CB 3.81Å; L77-H87 WeakPolarHBondContact O-CA 3.42Å; T78-H87 WeakPolarHBondContact CG2-CE1 3.37Å; T78-H87 WeakPolarHBondContact CG2-ND1 3.38Å; T78-H87 PolarHBondContact OG1-ND1 3.15Å
88	F	87.1	Confident	80.7	Confident	26 Å²	26	67 Å²	67	11%	0.114	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.4	178.4	-55.1	-79.8	0	0	0	109.6	V76 L77 Q86 I90 L108 V130 V134 A136	V76-F88 WeakPolarHBondContact CA-O 3.41Å; L77-F88 PolarHBondContact N-O 2.93Å; L77-F88 PolarHBondContact O-N 3.34Å; Q86-F88 HydrophobicContact CB-CD2 4.47Å; Q86-F88 HydrophobicContact CB-CE2 3.63Å; Q86-F88 HydrophobicContact CB-CZ 3.86Å; Q86-F88 HydrophobicContact CG-CZ 4.48Å; F88-I90 PolarHBondContact O-N 3.32Å; F88-L108 HydrophobicContact CB-CD1 3.88Å; F88-V130 HydrophobicContact CB-CG1 4.03Å; F88-V130 HydrophobicContact CD1-CG1 4.15Å; F88-V130 HydrophobicContact CD2-CB 4.29Å; F88-V130 HydrophobicContact CD2-CG1 3.5Å; F88-V130 HydrophobicContact CE2-CB 4.25Å; F88-V130 HydrophobicContact CE2-CG1 3.95Å; F88-V130 HydrophobicContact CG-CG1 3.62Å; F88-V130 HydrophobicContact CZ-CG1 4.45Å; F88-V134 HydrophobicContact CE1-CB 4.37Å; F88-V134 HydrophobicContact CE1-CG2 4.11Å; F88-V134 HydrophobicContact CZ-CB 4.16Å; F88-V134 HydrophobicContact CZ-CG1 4.26Å; F88-V134 HydrophobicContact CZ-CG2 4.29Å; F88-A136 HydrophobicContact CE2-CB 3.97Å; F88-A136 HydrophobicContact CZ-CB 3.88Å
89	K	85.8	Confident	79.6	Confident	98 Å²	98	77 Å²	77	43%	0.426	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.9	178.8	174.8	171.4	167.3	161.5	0	110.1	S71 S74 S91	S71-K89 PolarHBondContact OG-NZ 3.31Å; S74-K89 VanDerWaalsContact OG-CE 3.3Å; S74-K89 WeakPolarHBondContact OG-CE 3.44Å; S74-K89 PolarHBondContact OG-NZ 3.39Å; K89-S91 WeakPolarHBondContact CE-OG 3.34Å
90	I	86.1	Confident	77.5	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.5	170.7	-64.9	159	0	0	0	107.3	L65 F75 L77 F88 Y106 L107 L108 L119	L65-I90 HydrophobicContact CD1-CD1 3.6Å; F75-I90 HydrophobicContact CB-CB 4.23Å; F75-I90 PolarHBondContact N-O 3.36Å; F75-I90 VanDerWaalsContact N-O 3.12Å; F75-I90 PolarHBondContact O-N 2.93Å; L77-I90 HydrophobicContact CB-CD1 3.93Å; F88-I90 PolarHBondContact O-N 3.32Å; I90-Y106 HydrophobicContact CG2-CD1 4.38Å; I90-L107 WeakPolarHBondContact CA-O 3.39Å; I90-L108 HydrophobicContact CD1-CD2 4.4Å; I90-L108 HydrophobicContact CG1-CB 4.33Å; I90-L108 HydrophobicContact CG1-CD1 3.72Å; I90-L108 HydrophobicContact CG1-CD2 4.05Å; I90-L108 HydrophobicContact CG1-CG 4.26Å; I90-L119 HydrophobicContact CD1-CD2 3.61Å; I90-L119 HydrophobicContact CG1-CD2 3.84Å; I90-L119 HydrophobicContact CG2-CD2 3.83Å
91	S	79.9	Confident	75.5	Confident	46 Å²	46	88.2 Å²	88.2	32%	0.322	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.5	-175.4	-59.8	0	0	0	0	110.6	K89 L107	K89-S91 WeakPolarHBondContact CE-OG 3.34Å; S91-L107 PolarHBondContact N-O 2.77Å; S91-L107 PolarHBondContact O-N 3.28Å
92	K	80.1	Confident	74.8	Confident	80 Å²	80	89.9 Å²	89.9	35%	0.348	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.3	175	-172.1	-178.5	-174	-179	0	109	V104 Y106	K92-V104 HydrophobicContact CD-CG1 4.24Å; K92-V104 HydrophobicContact CG-CG1 3.64Å; K92-Y106 HydrophobicContact CB-CD1 4.23Å; K92-Y106 HydrophobicContact CB-CE1 4.03Å; K92-Y106 HydrophobicContact CD-CE1 4.08Å; K92-Y106 HydrophobicContact CG-CD1 4.3Å; K92-Y106 HydrophobicContact CG-CE1 3.74Å
93	K	77.5	Confident	74.4	Confident	122 Å²	122	86.1 Å²	86.1	53%	0.53	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.2	175.8	-172.5	-175.4	177.4	-166.3	0	109.1	V95 E105	K93-V95 HydrophobicContact CD-CG2 4.01Å; K93-V95 HydrophobicContact CG-CG2 4.22Å; K93-E105 PolarHBondContact N-O 3.06Å; K93-E105 PolarHBondContact O-N 3.15Å
94	V	76.1	Confident	74.3	Confident	86 Å²	86	82 Å²	82	52%	0.521	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.4	166.5	-177	0	0	0	0	107.6	R103	V94-R103 CarbonylContact C-O 3.56Å; V94-R103 WeakPolarHBondContact CA-O 3.48Å
95	V	72.9	Confident	74.3	Confident	30 Å²	30	82.7 Å²	82.7	18%	0.182	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.5	175.1	178.8	0	0	0	0	107.8	K93 L97 S102 R103 E105	K93-V95 HydrophobicContact CD-CG2 4.01Å; K93-V95 HydrophobicContact CG-CG2 4.22Å; V95-L97 HydrophobicContact CG1-CD2 3.97Å; V95-L97 HydrophobicContact CG1-CG 4.44Å; V95-S102 CarbonylContact O-C 3.51Å; V95-S102 WeakPolarHBondContact O-CA 3.38Å; V95-R103 PolarHBondContact N-O 3Å; V95-R103 PolarHBondContact O-N 3.03Å; V95-E105 HydrophobicContact CG2-CG 4.21Å; V95-E105 WeakPolarHBondContact CG2-OE2 3.4Å
96	I	70.8	Confident	74.1	Confident	129 Å²	129	83.1 Å²	83.1	66%	0.662	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.4	173.1	-56.3	174.2	0	0	0	106.9	N98	I96-N98 WeakPolarHBondContact CG2-O 3.41Å
97	L	61.3	Low	73.7	Confident	107 Å²	107	83.9 Å²	83.9	56%	0.56	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	-30	-178.5	-66.8	172.5	0	0	0	111.8	V95 Y101 R103	V95-L97 HydrophobicContact CG1-CD2 3.97Å; V95-L97 HydrophobicContact CG1-CG 4.44Å; L97-Y101 PolarHBondContact N-O 3.3Å; L97-R103 HydrophobicContact CD1-CB 4.06Å
98	N	57.9	Low	73.3	Confident	117 Å²	117	81.8 Å²	81.8	63%	0.626	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.2	166.9	170.1	-86.2	-45.5	0	0	0	108.4	I96 A100 Y101	I96-N98 WeakPolarHBondContact CG2-O 3.41Å; N98-A100 PolarHBondContact O-N 2.95Å; N98-Y101 PolarHBondContact N-O 2.95Å; N98-Y101 CarbonylContact O-C 3.58Å; N98-Y101 PolarHBondContact O-N 3.12Å
99	E	63.8	Low	72.7	Confident	210 Å²	210	84 Å²	84	98%	0.981	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-29.4	-178.2	-61.4	-176.1	142.8	0	0	114.1
100	A	47.8	Very low	71.9	Confident	87 Å²	87	86.4 Å²	86.4	72%	0.719	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-4.3	177.1	0	0	0	0	0	114.9	N98	N98-A100 PolarHBondContact O-N 2.95Å
101	Y	46.5	Very low	71.4	Confident	173 Å²	173	89.1 Å²	89.1	68%	0.678	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	116.4	-172.7	-74.7	-83	0	0	0	112.7	L97 N98	L97-Y101 PolarHBondContact N-O 3.3Å; N98-Y101 PolarHBondContact N-O 2.95Å; N98-Y101 CarbonylContact O-C 3.58Å; N98-Y101 PolarHBondContact O-N 3.12Å
102	S	69.9	Low	71.3	Confident	83 Å²	83	88.9 Å²	88.9	58%	0.58	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.6	168.3	66.8	0	0	0	0	111.1	V95	V95-S102 CarbonylContact O-C 3.51Å; V95-S102 WeakPolarHBondContact O-CA 3.38Å
103	R	74.3	Confident	71.4	Confident	109 Å²	109	86.4 Å²	86.4	41%	0.411	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.5	-178.4	-161.1	174.4	-163.2	-130	-3	109.6	V94 V95 L97 D114	V94-R103 CarbonylContact C-O 3.56Å; V94-R103 WeakPolarHBondContact CA-O 3.48Å; V95-R103 PolarHBondContact N-O 3Å; V95-R103 PolarHBondContact O-N 3.03Å; L97-R103 HydrophobicContact CD1-CB 4.06Å; R103-D114 IonicContact CZ-OD1 2.9Å; R103-D114 IonicContact CZ-OD2 3.34Å; R103-D114 IonicContact NH1-OD1 3.77Å; R103-D114 PolarHBondContact NH1-OD1 2.83Å; R103-D114 IonicContact NH1-OD2 2.78Å; R103-D114 PolarHBondContact NH1-OD2 3.47Å; R103-D114 IonicContact NH2-OD1 3.83Å; R103-D114 IonicContact NH2-OD2 3.75Å; R103-D114 PolarHBondContact NH2-OD2 3.48Å
104	V	78.7	Confident	71.5	Confident	49 Å²	49	84.8 Å²	84.8	30%	0.297	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.6	173.4	179.4	0	0	0	0	109	K92 Y106	K92-V104 HydrophobicContact CD-CG1 4.24Å; K92-V104 HydrophobicContact CG-CG1 3.64Å; V104-Y106 HydrophobicContact CG1-CD2 4.42Å; V104-Y106 HydrophobicContact CG1-CE1 4.3Å; V104-Y106 HydrophobicContact CG1-CE2 3.79Å
105	E	82.3	Confident	71.8	Confident	57 Å²	57	81.8 Å²	81.8	27%	0.266	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	170.6	-68.9	176.6	-176.9	0	0	109.7	K93 V95	K93-E105 PolarHBondContact N-O 3.06Å; K93-E105 PolarHBondContact O-N 3.15Å; V95-E105 HydrophobicContact CG2-CG 4.21Å; V95-E105 WeakPolarHBondContact CG2-OE2 3.4Å
106	Y	82.2	Confident	72.3	Confident	35 Å²	35	80.5 Å²	80.5	14%	0.137	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.1	174.3	-63.2	-81.1	0	0	0	108.8	F75 I90 K92 V104 F113 V116	F75-Y106 HydrophobicContact CD2-CD1 4.37Å; F75-Y106 HydrophobicContact CD2-CE1 4.25Å; F75-Y106 HydrophobicContact CE2-CD1 4.36Å; F75-Y106 AromaticContact CE2-CE1 3.81Å; F75-Y106 HydrophobicContact CE2-CE1 3.81Å; I90-Y106 HydrophobicContact CG2-CD1 4.38Å; K92-Y106 HydrophobicContact CB-CD1 4.23Å; K92-Y106 HydrophobicContact CB-CE1 4.03Å; K92-Y106 HydrophobicContact CD-CE1 4.08Å; K92-Y106 HydrophobicContact CG-CD1 4.3Å; K92-Y106 HydrophobicContact CG-CE1 3.74Å; V104-Y106 HydrophobicContact CG1-CD2 4.42Å; V104-Y106 HydrophobicContact CG1-CE1 4.3Å; V104-Y106 HydrophobicContact CG1-CE2 3.79Å; Y106-F113 PolarHBondContact N-O 3.07Å; Y106-F113 PolarHBondContact O-N 3.01Å; Y106-V116 HydrophobicContact CD1-CG2 3.52Å; Y106-V116 HydrophobicContact CD2-CG2 3.85Å; Y106-V116 HydrophobicContact CE1-CG2 3.74Å; Y106-V116 HydrophobicContact CE2-CG2 4.05Å; Y106-V116 HydrophobicContact CG-CG2 3.57Å
107	L	78.9	Confident	73	Confident	70 Å²	70	74.3 Å²	74.3	37%	0.366	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.4	-176.3	-175.2	70.6	0	0	0	111.1	I90 S91	I90-L107 WeakPolarHBondContact CA-O 3.39Å; S91-L107 PolarHBondContact N-O 2.77Å; S91-L107 PolarHBondContact O-N 3.28Å
108	L	79.3	Confident	74.1	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.6	169.2	-169.3	53.8	0	0	0	110.2	L77 F88 I90 K110 E111 L119 Y123 V130	L77-L108 HydrophobicContact CD2-CD2 4.1Å; F88-L108 HydrophobicContact CB-CD1 3.88Å; I90-L108 HydrophobicContact CD1-CD2 4.4Å; I90-L108 HydrophobicContact CG1-CB 4.33Å; I90-L108 HydrophobicContact CG1-CD1 3.72Å; I90-L108 HydrophobicContact CG1-CD2 4.05Å; I90-L108 HydrophobicContact CG1-CG 4.26Å; L108-K110 PolarHBondContact O-N 3.44Å; L108-E111 PolarHBondContact N-O 3.26Å; L108-E111 PolarHBondContact O-N 3.01Å; L108-L119 HydrophobicContact CB-CD1 3.81Å; L108-L119 HydrophobicContact CB-CD2 4.34Å; L108-L119 HydrophobicContact CD2-CD1 3.85Å; L108-L119 HydrophobicContact CD2-CD2 4.31Å; L108-L119 HydrophobicContact CD2-CG 4.43Å; L108-L119 HydrophobicContact CG-CD1 4.48Å; L108-Y123 HydrophobicContact CD2-CE2 4.16Å; L108-V130 HydrophobicContact CD2-CG1 3.87Å; L108-V130 HydrophobicContact CG-CG1 4.39Å
109	D	75.6	Confident	75.4	Confident	72 Å²	72	65.1 Å²	65.1	39%	0.385	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	-95.3	-169.6	-159.2	-33.3	0	0	0	111.3	S131	D109-S131 WeakPolarHBondContact OD2-CA 3.15Å; D109-S131 WeakPolarHBondContact OD2-CB 3.35Å; D109-S131 PolarHBondContact OD2-OG 3.1Å
110	K	67.9	Low	76.4	Confident	149 Å²	149	55.4 Å²	55.4	65%	0.648	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-5.9	179.7	-66.2	163.3	-166.2	171.5	0	114.3	L108	L108-K110 PolarHBondContact O-N 3.44Å
111	E	74.8	Confident	78.2	Confident	56 Å²	56	58 Å²	58	26%	0.262	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124	-173.1	-63.9	-178.3	164.7	0	0	110	L108 F113 F122 Y123 K128	L108-E111 PolarHBondContact N-O 3.26Å; L108-E111 PolarHBondContact O-N 3.01Å; E111-F113 HydrophobicContact CB-CD2 4.47Å; E111-F113 HydrophobicContact CB-CE2 3.47Å; E111-F113 VanDerWaalsContact CB-CE2 3.47Å; E111-F113 HydrophobicContact CB-CZ 3.83Å; E111-F122 WeakPolarHBondContact OE2-CE1 3.49Å; E111-Y123 PolarHBondContact OE2-OH 3.16Å; E111-K128 IonicContact OE1-NZ 3.6Å; E111-K128 PolarHBondContact OE1-NZ 3.34Å; E111-K128 IonicContact OE2-NZ 2.69Å
112	G	79.7	Confident	80	Confident	41 Å²	41	52.8 Å²	52.8	42%	0.423	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.2	179.5	0	0	0	0	0	111.8
113	F	81.4	Confident	80.6	Confident	29 Å²	29	49.2 Å²	49.2	13%	0.127	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.8	-174.5	-60.7	-95.9	0	0	0	112.7	Y106 E111 S115 L119 F122 Y123	Y106-F113 PolarHBondContact N-O 3.07Å; Y106-F113 PolarHBondContact O-N 3.01Å; E111-F113 HydrophobicContact CB-CD2 4.47Å; E111-F113 HydrophobicContact CB-CE2 3.47Å; E111-F113 VanDerWaalsContact CB-CE2 3.47Å; E111-F113 HydrophobicContact CB-CZ 3.83Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 3.47Å; F113-L119 HydrophobicContact CB-CB 3.96Å; F113-L119 HydrophobicContact CD1-CB 4.47Å; F113-L119 HydrophobicContact CD2-CB 3.89Å; F113-L119 HydrophobicContact CD2-CD1 3.37Å; F113-L119 HydrophobicContact CD2-CG 4.19Å; F113-L119 HydrophobicContact CE2-CD1 3.37Å; F113-L119 HydrophobicContact CG-CB 3.86Å; F113-L119 HydrophobicContact CG-CD1 4.19Å; F113-L119 HydrophobicContact CZ-CD1 4.2Å; F113-F122 HydrophobicContact CE1-CB 3.68Å; F113-F122 AromaticContact CE1-CD1 3.87Å; F113-F122 HydrophobicContact CE1-CD1 3.87Å; F113-F122 AromaticContact CE1-CD2 3.99Å; F113-F122 HydrophobicContact CE1-CD2 3.99Å; F113-F122 HydrophobicContact CE1-CE1 4.46Å; F113-F122 AromaticContact CE1-CG 3.59Å; F113-F122 HydrophobicContact CE1-CG 3.59Å; F113-F122 HydrophobicContact CZ-CB 4.12Å; F113-F122 AromaticContact CZ-CD1 3.59Å; F113-F122 HydrophobicContact CZ-CD1 3.59Å; F113-F122 HydrophobicContact CZ-CD2 4.5Å; F113-F122 HydrophobicContact CZ-CE1 4.05Å; F113-F122 AromaticContact CZ-CG 3.83Å; F113-F122 HydrophobicContact CZ-CG 3.83Å; F113-Y123 HydrophobicContact CE2-CE2 4.03Å; F113-Y123 HydrophobicContact CZ-CE2 4.18Å
114	D	79.6	Confident	81.1	Confident	88 Å²	88	46 Å²	46	47%	0.471	24%	0.236	S	C	.	.	S	Bend	trans	-63.6	-29	-177.5	-55.3	-12.5	0	0	0	113.8	R103	R103-D114 IonicContact CZ-OD1 2.9Å; R103-D114 IonicContact CZ-OD2 3.34Å; R103-D114 IonicContact NH1-OD1 3.77Å; R103-D114 PolarHBondContact NH1-OD1 2.83Å; R103-D114 IonicContact NH1-OD2 2.78Å; R103-D114 PolarHBondContact NH1-OD2 3.47Å; R103-D114 IonicContact NH2-OD1 3.83Å; R103-D114 IonicContact NH2-OD2 3.75Å; R103-D114 PolarHBondContact NH2-OD2 3.48Å
115	S	82.9	Confident	81.2	Confident	23 Å²	23	46.5 Å²	46.5	16%	0.161	25%	0.251	C	S	.	.	S	Bend	trans	-147.5	151	178.1	73.4	0	0	0	0	112.3	F113 A118 L119	F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 3.47Å; S115-A118 WeakPolarHBondContact O-CB 3.49Å; S115-A118 PolarHBondContact O-N 2.92Å; S115-A118 WeakPolarHBondContact OG-CB 3.43Å; S115-A118 PolarHBondContact OG-N 3.03Å; S115-L119 PolarHBondContact O-N 3.02Å
116	V	83.8	Confident	81.1	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-37.4	179.5	-172.2	0	0	0	0	112.4	W43 L65 F75 Y106 A118 L119 I120	W43-V116 HydrophobicContact CH2-CG1 4.45Å; L65-V116 HydrophobicContact CD2-CG1 3.5Å; F75-V116 HydrophobicContact CD2-CG2 3.88Å; F75-V116 HydrophobicContact CE2-CG2 3.8Å; Y106-V116 HydrophobicContact CD1-CG2 3.52Å; Y106-V116 HydrophobicContact CD2-CG2 3.85Å; Y106-V116 HydrophobicContact CE1-CG2 3.74Å; Y106-V116 HydrophobicContact CE2-CG2 4.05Å; Y106-V116 HydrophobicContact CG-CG2 3.57Å; V116-A118 VanDerWaalsContact C-N 3.32Å; V116-A118 PolarHBondContact O-N 3.1Å; V116-L119 WeakPolarHBondContact O-CB 3.36Å; V116-L119 PolarHBondContact O-N 2.82Å; V116-I120 WeakPolarHBondContact O-CG1 3.31Å; V116-I120 PolarHBondContact O-N 2.74Å
117	P	84.9	Confident	80.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-30.7	169.7	-26.5	38	0	0	0	114.2	H41 W43 R121	H41-P117 VanDerWaalsContact CE1-CG 3.49Å; H41-P117 WeakPolarHBondContact CE1-CG 3.46Å; W43-P117 HydrophobicContact CH2-CG 4.44Å; P117-R121 VanDerWaalsContact O-CB 3.32Å; P117-R121 WeakPolarHBondContact O-CB 3.24Å; P117-R121 WeakPolarHBondContact O-CG 3.24Å; P117-R121 PolarHBondContact O-N 3.43Å; P117-R121 VanDerWaalsContact O-N 3.09Å; P117-R121 PolarHBondContact O-NE 2.86Å
118	A	83.6	Confident	81	Confident	31 Å²	31	54.1 Å²	54.1	26%	0.256	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-46.6	173.1	0	0	0	0	0	111.5	S115 V116 I120 R121 F122	S115-A118 WeakPolarHBondContact O-CB 3.49Å; S115-A118 PolarHBondContact O-N 2.92Å; S115-A118 WeakPolarHBondContact OG-CB 3.43Å; S115-A118 PolarHBondContact OG-N 3.03Å; V116-A118 VanDerWaalsContact C-N 3.32Å; V116-A118 PolarHBondContact O-N 3.1Å; A118-I120 PolarHBondContact O-N 3.5Å; A118-R121 PolarHBondContact O-N 3.46Å; A118-F122 WeakPolarHBondContact O-CB 3.26Å; A118-F122 PolarHBondContact O-N 3.07Å
119	L	85.3	Confident	81.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-52	-53.9	172.6	166.8	66.5	0	0	0	112.1	I90 L108 F113 S115 V116 R121 F122 Y123	I90-L119 HydrophobicContact CD1-CD2 3.61Å; I90-L119 HydrophobicContact CG1-CD2 3.84Å; I90-L119 HydrophobicContact CG2-CD2 3.83Å; L108-L119 HydrophobicContact CB-CD1 3.81Å; L108-L119 HydrophobicContact CB-CD2 4.34Å; L108-L119 HydrophobicContact CD2-CD1 3.85Å; L108-L119 HydrophobicContact CD2-CD2 4.31Å; L108-L119 HydrophobicContact CD2-CG 4.43Å; L108-L119 HydrophobicContact CG-CD1 4.48Å; F113-L119 HydrophobicContact CB-CB 3.96Å; F113-L119 HydrophobicContact CD1-CB 4.47Å; F113-L119 HydrophobicContact CD2-CB 3.89Å; F113-L119 HydrophobicContact CD2-CD1 3.37Å; F113-L119 HydrophobicContact CD2-CG 4.19Å; F113-L119 HydrophobicContact CE2-CD1 3.37Å; F113-L119 HydrophobicContact CG-CB 3.86Å; F113-L119 HydrophobicContact CG-CD1 4.19Å; F113-L119 HydrophobicContact CZ-CD1 4.2Å; S115-L119 PolarHBondContact O-N 3.02Å; V116-L119 WeakPolarHBondContact O-CB 3.36Å; V116-L119 PolarHBondContact O-N 2.82Å; L119-R121 PolarHBondContact O-N 3.04Å; L119-F122 WeakPolarHBondContact O-CB 3.47Å; L119-F122 PolarHBondContact O-N 3.18Å; L119-Y123 HydrophobicContact CD1-CD2 3.66Å; L119-Y123 HydrophobicContact CD1-CE2 3.47Å; L119-Y123 VanDerWaalsContact CD1-CE2 3.47Å; L119-Y123 WeakPolarHBondContact O-CD2 3.41Å; L119-Y123 PolarHBondContact O-N 3.05Å
120	I	85.6	Confident	81.4	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-43.4	-179.1	-64.8	-61.5	0	0	0	111.5	W43 F63 L77 V116 A118 F122 Y123 V124 I138	W43-I120 HydrophobicContact CD2-CG2 4.5Å; W43-I120 HydrophobicContact CH2-CB 4.26Å; W43-I120 HydrophobicContact CH2-CG1 3.81Å; W43-I120 HydrophobicContact CZ2-CB 4.03Å; W43-I120 HydrophobicContact CZ2-CG1 4.08Å; W43-I120 HydrophobicContact CZ2-CG2 4.05Å; W43-I120 HydrophobicContact CZ3-CG1 4.06Å; F63-I120 HydrophobicContact CE2-CD1 4.4Å; F63-I120 HydrophobicContact CE2-CG2 3.68Å; F63-I120 HydrophobicContact CZ-CG2 3.76Å; L77-I120 HydrophobicContact CD1-CD1 4.02Å; L77-I120 HydrophobicContact CD2-CD1 4.39Å; V116-I120 WeakPolarHBondContact O-CG1 3.31Å; V116-I120 PolarHBondContact O-N 2.74Å; A118-I120 PolarHBondContact O-N 3.5Å; I120-F122 VanDerWaalsContact C-N 3.28Å; I120-F122 PolarHBondContact O-N 2.89Å; I120-Y123 PolarHBondContact O-N 3.3Å; I120-V124 HydrophobicContact CG2-CG2 4.18Å; I120-V124 WeakPolarHBondContact O-CB 3.44Å; I120-V124 WeakPolarHBondContact O-CG2 3.42Å; I120-V124 PolarHBondContact O-N 3.27Å; I120-I138 HydrophobicContact CD1-CD1 4.3Å
121	R	85	Confident	81.9	Confident	142 Å²	142	47 Å²	47	54%	0.536	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-37.4	176.1	-77	177.1	-68.5	-164.6	2.2	112.2	P117 A118 L119 G125	P117-R121 VanDerWaalsContact O-CB 3.32Å; P117-R121 WeakPolarHBondContact O-CB 3.24Å; P117-R121 WeakPolarHBondContact O-CG 3.24Å; P117-R121 PolarHBondContact O-N 3.43Å; P117-R121 VanDerWaalsContact O-N 3.09Å; P117-R121 PolarHBondContact O-NE 2.86Å; A118-R121 PolarHBondContact O-N 3.46Å; L119-R121 PolarHBondContact O-N 3.04Å; R121-G125 WeakPolarHBondContact O-CA 3.25Å; R121-G125 PolarHBondContact O-N 3.15Å
122	F	83.8	Confident	81.8	Confident	63 Å²	63	51 Å²	51	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-49.7	178.9	-176	-92.1	0	0	0	112.8	E111 F113 A118 L119 I120 N126 K128	E111-F122 WeakPolarHBondContact OE2-CE1 3.49Å; F113-F122 HydrophobicContact CE1-CB 3.68Å; F113-F122 AromaticContact CE1-CD1 3.87Å; F113-F122 HydrophobicContact CE1-CD1 3.87Å; F113-F122 AromaticContact CE1-CD2 3.99Å; F113-F122 HydrophobicContact CE1-CD2 3.99Å; F113-F122 HydrophobicContact CE1-CE1 4.46Å; F113-F122 AromaticContact CE1-CG 3.59Å; F113-F122 HydrophobicContact CE1-CG 3.59Å; F113-F122 HydrophobicContact CZ-CB 4.12Å; F113-F122 AromaticContact CZ-CD1 3.59Å; F113-F122 HydrophobicContact CZ-CD1 3.59Å; F113-F122 HydrophobicContact CZ-CD2 4.5Å; F113-F122 HydrophobicContact CZ-CE1 4.05Å; F113-F122 AromaticContact CZ-CG 3.83Å; F113-F122 HydrophobicContact CZ-CG 3.83Å; A118-F122 WeakPolarHBondContact O-CB 3.26Å; A118-F122 PolarHBondContact O-N 3.07Å; L119-F122 WeakPolarHBondContact O-CB 3.47Å; L119-F122 PolarHBondContact O-N 3.18Å; I120-F122 VanDerWaalsContact C-N 3.28Å; I120-F122 PolarHBondContact O-N 2.89Å; F122-N126 VanDerWaalsContact CD2-ND2 3.25Å; F122-N126 WeakPolarHBondContact CD2-ND2 3.2Å; F122-N126 VanDerWaalsContact CE2-ND2 3.29Å; F122-N126 WeakPolarHBondContact CE2-ND2 3.46Å; F122-N126 VanDerWaalsContact O-CB 3.29Å; F122-N126 WeakPolarHBondContact O-CB 3.41Å; F122-N126 PolarHBondContact O-N 2.78Å; F122-N126 PolarHBondContact O-ND2 2.67Å; F122-N126 VanDerWaalsContact O-ND2 3.11Å; F122-K128 HydrophobicContact CD1-CD 4.45Å; F122-K128 HydrophobicContact CE1-CD 3.56Å; F122-K128 HydrophobicContact CZ-CD 4.12Å
123	Y	82.5	Confident	81.4	Confident	8 Å²	8	55.6 Å²	55.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-41.8	-179.3	-81.9	-83.7	0	0	0	112.6	L108 E111 F113 L119 I120 R127 K128 V130	L108-Y123 HydrophobicContact CD2-CE2 4.16Å; E111-Y123 PolarHBondContact OE2-OH 3.16Å; F113-Y123 HydrophobicContact CE2-CE2 4.03Å; F113-Y123 HydrophobicContact CZ-CE2 4.18Å; L119-Y123 HydrophobicContact CD1-CD2 3.66Å; L119-Y123 HydrophobicContact CD1-CE2 3.47Å; L119-Y123 VanDerWaalsContact CD1-CE2 3.47Å; L119-Y123 WeakPolarHBondContact O-CD2 3.41Å; L119-Y123 PolarHBondContact O-N 3.05Å; I120-Y123 PolarHBondContact O-N 3.3Å; Y123-R127 WeakPolarHBondContact O-CA 3.39Å; Y123-R127 PolarHBondContact O-N 2.83Å; Y123-K128 HydrophobicContact CD1-CB 3.93Å; Y123-K128 HydrophobicContact CE1-CB 4.19Å; Y123-K128 PolarHBondContact O-N 3.39Å; Y123-V130 HydrophobicContact CD1-CG2 4.03Å; Y123-V130 HydrophobicContact CG-CG2 4.42Å
124	V	85.6	Confident	81.2	Confident	42 Å²	42	56.3 Å²	56.3	26%	0.255	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-45.4	176.9	172.4	0	0	0	0	111.5	F63 I120 I138	F63-V124 HydrophobicContact CE1-CG2 3.6Å; F63-V124 HydrophobicContact CZ-CG2 3.68Å; I120-V124 HydrophobicContact CG2-CG2 4.18Å; I120-V124 WeakPolarHBondContact O-CB 3.44Å; I120-V124 WeakPolarHBondContact O-CG2 3.42Å; I120-V124 PolarHBondContact O-N 3.27Å; V124-I138 HydrophobicContact CG2-CD1 3.75Å; V124-I138 HydrophobicContact CG2-CG1 3.93Å
125	G	79.9	Confident	81.2	Confident	60 Å²	60	53.2 Å²	53.2	62%	0.619	29%	0.289	S	S	*	.	H	α-helix	trans	-67.9	-44.9	-177.7	0	0	0	0	0	113.3	R121 R127	R121-G125 WeakPolarHBondContact O-CA 3.25Å; R121-G125 PolarHBondContact O-N 3.15Å; G125-R127 VanDerWaalsContact C-N 3.34Å
126	N	80.6	Confident	81.2	Confident	95 Å²	95	52.1 Å²	52.1	51%	0.508	28%	0.281	S	S	.	.	H	α-helix	trans	-85.2	-5.2	-179.2	-63.5	-46.8	0	0	0	113.8	F122 K128	F122-N126 VanDerWaalsContact CD2-ND2 3.25Å; F122-N126 WeakPolarHBondContact CD2-ND2 3.2Å; F122-N126 VanDerWaalsContact CE2-ND2 3.29Å; F122-N126 WeakPolarHBondContact CE2-ND2 3.46Å; F122-N126 VanDerWaalsContact O-CB 3.29Å; F122-N126 WeakPolarHBondContact O-CB 3.41Å; F122-N126 PolarHBondContact O-N 2.78Å; F122-N126 PolarHBondContact O-ND2 2.67Å; F122-N126 VanDerWaalsContact O-ND2 3.11Å; N126-K128 HydrophobicContact CB-CG 4.24Å; N126-K128 PolarHBondContact O-N 3.44Å; N126-K128 VanDerWaalsContact O-N 3.07Å
127	R	79.1	Confident	81.2	Confident	152 Å²	152	54.2 Å²	54.2	57%	0.574	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	31.3	-173.6	-63	-178.9	174.8	-90.8	0.2	113.8	Y123 G125 I137	Y123-R127 WeakPolarHBondContact O-CA 3.39Å; Y123-R127 PolarHBondContact O-N 2.83Å; G125-R127 VanDerWaalsContact C-N 3.34Å; R127-I137 HydrophobicContact CB-CG2 4.11Å; R127-I137 WeakPolarHBondContact O-CG2 3.49Å
128	K	80.6	Confident	81.3	Confident	75 Å²	75	54.2 Å²	54.2	33%	0.326	29%	0.292	S	S	.	.			trans	-68.8	147	177	-89.7	179.4	163.2	-171.2	0	110.5	E111 F122 Y123 N126 V130	E111-K128 IonicContact OE1-NZ 3.6Å; E111-K128 PolarHBondContact OE1-NZ 3.34Å; E111-K128 IonicContact OE2-NZ 2.69Å; F122-K128 HydrophobicContact CD1-CD 4.45Å; F122-K128 HydrophobicContact CE1-CD 3.56Å; F122-K128 HydrophobicContact CZ-CD 4.12Å; Y123-K128 HydrophobicContact CD1-CB 3.93Å; Y123-K128 HydrophobicContact CE1-CB 4.19Å; Y123-K128 PolarHBondContact O-N 3.39Å; N126-K128 HydrophobicContact CB-CG 4.24Å; N126-K128 PolarHBondContact O-N 3.44Å; N126-K128 VanDerWaalsContact O-N 3.07Å; K128-V130 PolarHBondContact O-N 3.43Å
129	P	81.6	Confident	81.3	Confident	56 Å²	56	56.6 Å²	56.6	36%	0.364	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-67.3	128.9	168.6	28.9	-33.4	0	0	0	110.2	S131 A136 I137	P129-S131 PolarHBondContact O-N 3.38Å; P129-A136 CarbonylContact C-O 3.51Å; P129-A136 WeakPolarHBondContact CA-O 3.38Å; P129-I137 HydrophobicContact CB-CG1 4.4Å
130	V	80.5	Confident	81.3	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.313	C	S	.	.	S	Bend	trans	-62.3	-28.2	-179.5	175.3	0	0	0	0	112.5	L77 F88 L108 Y123 K128 A136 I138	L77-V130 HydrophobicContact CD2-CG1 3.83Å; L77-V130 HydrophobicContact CD2-CG2 4.17Å; F88-V130 HydrophobicContact CB-CG1 4.03Å; F88-V130 HydrophobicContact CD1-CG1 4.15Å; F88-V130 HydrophobicContact CD2-CB 4.29Å; F88-V130 HydrophobicContact CD2-CG1 3.5Å; F88-V130 HydrophobicContact CE2-CB 4.25Å; F88-V130 HydrophobicContact CE2-CG1 3.95Å; F88-V130 HydrophobicContact CG-CG1 3.62Å; F88-V130 HydrophobicContact CZ-CG1 4.45Å; L108-V130 HydrophobicContact CD2-CG1 3.87Å; L108-V130 HydrophobicContact CG-CG1 4.39Å; Y123-V130 HydrophobicContact CD1-CG2 4.03Å; Y123-V130 HydrophobicContact CG-CG2 4.42Å; K128-V130 PolarHBondContact O-N 3.43Å; V130-A136 PolarHBondContact N-O 3.38Å; V130-I138 HydrophobicContact CG2-CB 4.48Å; V130-I138 HydrophobicContact CG2-CD1 4.39Å; V130-I138 HydrophobicContact CG2-CG1 3.92Å; V130-I138 HydrophobicContact CG2-CG2 3.97Å
131	S	78.9	Confident	81.4	Confident	17 Å²	17	62.3 Å²	62.3	12%	0.119	33%	0.327	C	S	.	.	S	Bend	trans	-142	141	163.4	-178.3	0	0	0	0	110.8	D109 P129 V133 V134 G135	D109-S131 WeakPolarHBondContact OD2-CA 3.15Å; D109-S131 WeakPolarHBondContact OD2-CB 3.35Å; D109-S131 PolarHBondContact OD2-OG 3.1Å; P129-S131 PolarHBondContact O-N 3.38Å; S131-V133 PolarHBondContact O-N 2.76Å; S131-V134 PolarHBondContact O-N 3.27Å; S131-G135 PolarHBondContact O-N 3.43Å
132	Q	73.1	Confident	81.4	Confident	141 Å²	141	57 Å²	57	66%	0.659	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25	-179	-65.3	179	-29.7	0	0	112.8
133	V	71.3	Confident	81.5	Confident	137 Å²	137	58.7 Å²	58.7	83%	0.83	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-39.9	-177.9	-175.9	0	0	0	0	112.2	S131	S131-V133 PolarHBondContact O-N 2.76Å
134	V	76.8	Confident	81.3	Confident	44 Å²	44	59 Å²	59	27%	0.267	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-27.8	-176.7	-173.2	0	0	0	0	111.8	Q86 F88 S131 A136	Q86-V134 HydrophobicContact CG-CG1 4.03Å; F88-V134 HydrophobicContact CE1-CB 4.37Å; F88-V134 HydrophobicContact CE1-CG2 4.11Å; F88-V134 HydrophobicContact CZ-CB 4.16Å; F88-V134 HydrophobicContact CZ-CG1 4.26Å; F88-V134 HydrophobicContact CZ-CG2 4.29Å; S131-V134 PolarHBondContact O-N 3.27Å; V134-A136 HydrophobicContact CG1-CB 4.12Å; V134-A136 PolarHBondContact O-N 3.3Å
135	G	79.9	Confident	80.6	Confident	23 Å²	23	61.7 Å²	61.7	24%	0.237	34%	0.339	C	S	.	.			trans	68.7	18.8	-178.1	0	0	0	0	0	114.2	W81 S131	W81-G135 WeakPolarHBondContact CZ2-O 3.43Å; W81-G135 PolarHBondContact NE1-O 2.87Å; W81-G135 VanDerWaalsContact NE1-O 3.08Å; S131-G135 PolarHBondContact O-N 3.43Å
136	A	82	Confident	80.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.322	C	S	.	.			trans	-73.1	122.2	-176.1	0	0	0	0	0	112.1	W81 F88 P129 V130 V134	W81-A136 HydrophobicContact CB-CB 3.86Å; W81-A136 VanDerWaalsContact CD1-CA 3.49Å; W81-A136 HydrophobicContact CD2-CB 4.31Å; W81-A136 HydrophobicContact CG-CB 3.74Å; F88-A136 HydrophobicContact CE2-CB 3.97Å; F88-A136 HydrophobicContact CZ-CB 3.88Å; P129-A136 CarbonylContact C-O 3.51Å; P129-A136 WeakPolarHBondContact CA-O 3.38Å; V130-A136 PolarHBondContact N-O 3.38Å; V134-A136 HydrophobicContact CG1-CB 4.12Å; V134-A136 PolarHBondContact O-N 3.3Å
137	I	85.1	Confident	80.2	Confident	46 Å²	46	57.2 Å²	57.2	24%	0.236	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-108.7	123.8	179.6	-57	171.5	0	0	0	108.9	G61 W81 R127 P129	G61-I137 WeakPolarHBondContact CA-O 3.34Å; W81-I137 HydrophobicContact CH2-CB 3.72Å; W81-I137 HydrophobicContact CH2-CD1 4.13Å; W81-I137 HydrophobicContact CH2-CG1 4.03Å; W81-I137 HydrophobicContact CZ2-CB 4.27Å; W81-I137 HydrophobicContact CZ2-CD1 4.31Å; W81-I137 HydrophobicContact CZ2-CG1 4.15Å; W81-I137 HydrophobicContact CZ3-CB 3.99Å; W81-I137 WeakPolarHBondContact CZ3-O 3.31Å; R127-I137 HydrophobicContact CB-CG2 4.11Å; R127-I137 WeakPolarHBondContact O-CG2 3.49Å; P129-I137 HydrophobicContact CB-CG1 4.4Å
138	I	86.6	Confident	80	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.			trans	-91.1	139.7	174.1	59.6	164.3	0	0	0	110.8	F63 L77 C79 I120 V124 V130	F63-I138 HydrophobicContact CB-CB 4.04Å; F63-I138 HydrophobicContact CB-CG2 3.68Å; F63-I138 HydrophobicContact CD1-CB 3.73Å; F63-I138 HydrophobicContact CD1-CD1 4.32Å; F63-I138 HydrophobicContact CD1-CG2 4.36Å; F63-I138 HydrophobicContact CD2-CD1 4.25Å; F63-I138 HydrophobicContact CE1-CB 4.4Å; F63-I138 HydrophobicContact CE1-CD1 4.44Å; F63-I138 HydrophobicContact CE2-CD1 4.39Å; F63-I138 HydrophobicContact CG-CB 3.95Å; F63-I138 HydrophobicContact CG-CD1 4.22Å; F63-I138 HydrophobicContact CG-CG2 4.12Å; F63-I138 HydrophobicContact CZ-CD1 4.48Å; L77-I138 HydrophobicContact CD1-CD1 4.36Å; L77-I138 HydrophobicContact CD2-CD1 4.04Å; C79-I138 HydrophobicContact CB-CG2 3.62Å; I120-I138 HydrophobicContact CD1-CD1 4.3Å; V124-I138 HydrophobicContact CG2-CD1 3.75Å; V124-I138 HydrophobicContact CG2-CG1 3.93Å; V130-I138 HydrophobicContact CG2-CB 4.48Å; V130-I138 HydrophobicContact CG2-CD1 4.39Å; V130-I138 HydrophobicContact CG2-CG1 3.92Å; V130-I138 HydrophobicContact CG2-CG2 3.97Å
139	F	83.4	Confident	79.8	Confident	81 Å²	81	50.7 Å²	50.7	36%	0.355	27%	0.272	S	S	.	.			trans	-150.4	-22.7	171.7	63.3	-97.7	0	0	0	115	D60 G61	D60-F139 WeakPolarHBondContact O-CZ 3.49Å; G61-F139 PolarHBondContact O-N 3.1Å; G61-F139 VanDerWaalsContact O-N 3.1Å
140	Q	84.7	Confident	79.4	Confident	76 Å²	76	51.9 Å²	51.9	36%	0.355	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112	-179.5	178.6	146.7	7.9	0	0	112	G61 D62 F63	G61-Q140 PolarHBondContact O-N 3.29Å; D62-Q140 CarbonylContact C-O 3.6Å; D62-Q140 WeakPolarHBondContact CA-O 3.29Å; D62-Q140 WeakPolarHBondContact OD1-CG 3.23Å; F63-Q140 VanDerWaalsContact CD1-C 3.42Å; F63-Q140 WeakPolarHBondContact CD1-O 3.46Å; F63-Q140 VanDerWaalsContact CE1-C 3.49Å; F63-Q140 PolarHBondContact N-O 2.7Å
141	P	88.4	Confident	79	Confident	50 Å²	50	52.5 Å²	52.5	33%	0.325	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.6	173.9	27.2	-32	0	0	0	111.6	W43 F63	W43-P141 HydrophobicContact CB-CB 3.77Å; W43-P141 HydrophobicContact CG-CB 4.26Å; F63-P141 HydrophobicContact CE1-CB 4.01Å; F63-P141 HydrophobicContact CE2-CB 4.44Å; F63-P141 HydrophobicContact CZ-CB 3.84Å
142	I	86	Confident	78.9	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.159	29%	0.287	C	S	.	.			trans	-89.3	110	166.8	-58.4	-58.5	0	0	0	108.7	H45 L56 V57 D62 F63 L64	H45-I142 WeakPolarHBondContact CE1-CG2 3.28Å; H45-I142 PolarHBondContact NE2-O 3.45Å; L56-I142 HydrophobicContact CB-CG2 4.5Å; V57-I142 HydrophobicContact CG1-CG1 4.21Å; D62-I142 HydrophobicContact CB-CD1 3.92Å; D62-I142 HydrophobicContact CB-CG1 4.12Å; F63-I142 PolarHBondContact O-N 2.8Å; L64-I142 HydrophobicContact CB-CB 4.43Å
143	N	84.4	Confident	78.9	Confident	98 Å²	98	55.1 Å²	55.1	52%	0.524	28%	0.284	S	S	.	.			trans	-80.7	135.8	-177.2	-67.9	-19.2	0	0	0	112	A42 H45	A42-N143 HydrophobicContact CB-CB 3.87Å; A42-N143 CarbonylContact O-C 3.59Å; A42-N143 WeakPolarHBondContact O-CA 3.17Å; H45-N143 VanDerWaalsContact NE2-C 3.28Å
144	R	78.3	Confident	78.9	Confident	13 Å²	13	53.9 Å²	53.9	5%	0.049	27%	0.267	C	S	.	.			trans	-67.3	141.6	171.8	73.2	178.9	-175.6	-101.8	2.7	111.2	L27 E30 R39 H41 A42 Y44 H45 F146 L151	L27-R144 HydrophobicContact CD1-CG 3.77Å; L27-R144 VanDerWaalsContact CD1-NE 3.34Å; E30-R144 IonicContact OE2-CZ 3.22Å; E30-R144 IonicContact OE2-NE 2.72Å; E30-R144 PolarHBondContact OE2-NE 2.82Å; E30-R144 IonicContact OE2-NH2 3.04Å; E30-R144 PolarHBondContact OE2-NH2 2.93Å; R39-R144 PolarHBondContact O-NH1 3.07Å; R39-R144 PolarHBondContact O-NH2 3.44Å; H41-R144 PolarHBondContact O-NH1 2.9Å; A42-R144 PolarHBondContact O-N 3.07Å; Y44-R144 WeakPolarHBondContact O-CD 3.38Å; Y44-R144 PolarHBondContact O-NH1 3.04Å; H45-R144 PolarHBondContact NE2-N 3.13Å; H45-R144 VanDerWaalsContact NE2-N 3.18Å; R144-F146 VanDerWaalsContact CD-O 3.27Å; R144-F146 WeakPolarHBondContact CD-O 3.26Å; R144-F146 WeakPolarHBondContact CG-O 3.35Å; R144-L151 HydrophobicContact CB-CD1 4.35Å
145	T	71	Confident	78.5	Confident	100 Å²	100	54.8 Å²	54.8	61%	0.613	27%	0.266	S	S	*	.	S	Bend	trans	-105.5	1.8	178.8	49.5	0	0	0	0	113.5
146	F	75.5	Confident	77.3	Confident	60 Å²	60	56.2 Å²	56.2	26%	0.263	28%	0.281	S	S	.	.	S	Bend	trans	-140.2	153.1	179.5	-61	-79.8	0	0	0	109.7	L20 L23 R144 Y150 L151	L20-F146 HydrophobicContact CD1-CE1 3.79Å; L23-F146 HydrophobicContact CD1-CD1 4.44Å; R144-F146 VanDerWaalsContact CD-O 3.27Å; R144-F146 WeakPolarHBondContact CD-O 3.26Å; R144-F146 WeakPolarHBondContact CG-O 3.35Å; F146-Y150 HydrophobicContact CB-CD1 3.59Å; F146-Y150 HydrophobicContact CB-CE1 4.27Å; F146-Y150 HydrophobicContact CB-CG 4.33Å; F146-Y150 AromaticContact CD1-CD1 3.92Å; F146-Y150 HydrophobicContact CD1-CD1 3.92Å; F146-Y150 AromaticContact CD1-CE1 3.92Å; F146-Y150 HydrophobicContact CD1-CE1 3.92Å; F146-Y150 HydrophobicContact CD2-CD1 4.43Å; F146-Y150 HydrophobicContact CD2-CE1 4.3Å; F146-Y150 HydrophobicContact CE1-CE1 4.33Å; F146-Y150 AromaticContact CG-CD1 3.73Å; F146-Y150 HydrophobicContact CG-CD1 3.73Å; F146-Y150 AromaticContact CG-CE1 3.9Å; F146-Y150 HydrophobicContact CG-CE1 3.9Å; F146-L151 HydrophobicContact CB-CD2 4.32Å; F146-L151 HydrophobicContact CB-CG 4.48Å
147	P	77.1	Confident	75.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.			trans	-67	155.6	178.3	27.8	-33.8	0	0	0	111.7	L23 E26 L27 E30 R149 Y150 L151	L23-P147 HydrophobicContact CB-CG 4.47Å; L23-P147 HydrophobicContact CD2-CG 3.75Å; L23-P147 WeakPolarHBondContact O-CD 3.49Å; E26-P147 HydrophobicContact CB-CB 4.31Å; E26-P147 HydrophobicContact CB-CG 4.23Å; E26-P147 HydrophobicContact CG-CB 4.03Å; E26-P147 HydrophobicContact CG-CG 4.21Å; L27-P147 HydrophobicContact CB-CB 4.34Å; E30-P147 WeakPolarHBondContact OE1-CB 3.41Å; E30-P147 VanDerWaalsContact OE2-CA 3.26Å; E30-P147 WeakPolarHBondContact OE2-CA 3.25Å; P147-R149 VanDerWaalsContact C-N 3.27Å; P147-R149 PolarHBondContact O-N 3.35Å; P147-Y150 PolarHBondContact O-N 3.34Å; P147-L151 PolarHBondContact O-N 3.14Å
148	L	75	Confident	73.7	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-56.3	-42.6	-176.3	-68.6	170.5	0	0	0	111.6	E30 R39 Y44 Y150 L151 E152	E30-L148 VanDerWaalsContact CD-N 3.34Å; E30-L148 PolarHBondContact OE1-N 3.03Å; E30-L148 PolarHBondContact OE2-N 3.11Å; R39-L148 HydrophobicContact CB-CD1 3.85Å; R39-L148 HydrophobicContact CG-CD1 3.8Å; Y44-L148 HydrophobicContact CD1-CD1 4.01Å; Y44-L148 HydrophobicContact CD1-CD2 3.8Å; Y44-L148 HydrophobicContact CE1-CD1 3.9Å; Y44-L148 HydrophobicContact CE1-CD2 3.88Å; L148-Y150 VanDerWaalsContact C-N 3.28Å; L148-Y150 PolarHBondContact O-N 3.42Å; L148-L151 WeakPolarHBondContact O-CB 3.29Å; L148-L151 PolarHBondContact O-N 3.24Å; L148-E152 WeakPolarHBondContact O-CG 3.39Å; L148-E152 PolarHBondContact O-N 3.13Å
149	R	76.1	Confident	71.1	Confident	81 Å²	81	73.2 Å²	73.2	31%	0.306	39%	0.391	S	S	.	.	H	α-helix	trans	-52	-43.6	175.5	-176.5	-161.8	178.4	164.6	1.1	113.1	E26 P147 L151 E152 E153 Q174	E26-R149 WeakPolarHBondContact OE1-CD 3.48Å; E26-R149 IonicContact OE1-NH1 3.86Å; P147-R149 VanDerWaalsContact C-N 3.27Å; P147-R149 PolarHBondContact O-N 3.35Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-E152 PolarHBondContact O-N 3.05Å; R149-E153 WeakPolarHBondContact O-CB 3.19Å; R149-E153 PolarHBondContact O-N 3.4Å; R149-Q174 VanDerWaalsContact NH2-NE2 3.14Å
150	Y	73.8	Confident	68.6	Low	81 Å²	81	76.9 Å²	76.9	32%	0.318	41%	0.414	S	S	.	.	H	α-helix	trans	-70.1	-33.3	-179.6	175.8	-93.6	0	0	0	111.5	L23 F146 P147 L148 K154	L23-Y150 HydrophobicContact CD1-CD2 4.19Å; L23-Y150 HydrophobicContact CD1-CE2 4.42Å; L23-Y150 HydrophobicContact CD2-CD2 4.27Å; L23-Y150 HydrophobicContact CD2-CG 4.42Å; F146-Y150 HydrophobicContact CB-CD1 3.59Å; F146-Y150 HydrophobicContact CB-CE1 4.27Å; F146-Y150 HydrophobicContact CB-CG 4.33Å; F146-Y150 AromaticContact CD1-CD1 3.92Å; F146-Y150 HydrophobicContact CD1-CD1 3.92Å; F146-Y150 AromaticContact CD1-CE1 3.92Å; F146-Y150 HydrophobicContact CD1-CE1 3.92Å; F146-Y150 HydrophobicContact CD2-CD1 4.43Å; F146-Y150 HydrophobicContact CD2-CE1 4.3Å; F146-Y150 HydrophobicContact CE1-CE1 4.33Å; F146-Y150 AromaticContact CG-CD1 3.73Å; F146-Y150 HydrophobicContact CG-CD1 3.73Å; F146-Y150 AromaticContact CG-CE1 3.9Å; F146-Y150 HydrophobicContact CG-CE1 3.9Å; P147-Y150 PolarHBondContact O-N 3.34Å; L148-Y150 VanDerWaalsContact C-N 3.28Å; L148-Y150 PolarHBondContact O-N 3.42Å; Y150-K154 HydrophobicContact CE1-CD 3.89Å; Y150-K154 WeakPolarHBondContact O-CB 3.29Å; Y150-K154 PolarHBondContact O-N 3.1Å
151	L	72.5	Confident	66.2	Low	14 Å²	14	82 Å²	82	7%	0.073	44%	0.438	C	S	.	.	H	α-helix	trans	-71.6	-39.3	176	-59.2	170.3	0	0	0	111.1	I48 R144 F146 P147 L148 R149 Y155	I48-L151 HydrophobicContact CD1-CD1 4.32Å; I48-L151 HydrophobicContact CD1-CD2 4.18Å; R144-L151 HydrophobicContact CB-CD1 4.35Å; F146-L151 HydrophobicContact CB-CD2 4.32Å; F146-L151 HydrophobicContact CB-CG 4.48Å; P147-L151 PolarHBondContact O-N 3.14Å; L148-L151 WeakPolarHBondContact O-CB 3.29Å; L148-L151 PolarHBondContact O-N 3.24Å; R149-L151 VanDerWaalsContact C-N 3.33Å; L151-Y155 HydrophobicContact CD2-CE2 4.06Å; L151-Y155 VanDerWaalsContact O-CD2 3.31Å; L151-Y155 WeakPolarHBondContact O-CD2 3.06Å; L151-Y155 PolarHBondContact O-N 2.82Å
152	E	75.3	Confident	63.5	Low	86 Å²	86	88 Å²	88	40%	0.402	46%	0.459	S	S	.	.	H	α-helix	trans	-63.6	-47	171.6	-70.5	176.2	173.1	0	0	111.9	L148 R149 K154 G156	L148-E152 WeakPolarHBondContact O-CG 3.39Å; L148-E152 PolarHBondContact O-N 3.13Å; R149-E152 PolarHBondContact O-N 3.05Å; E152-K154 VanDerWaalsContact C-N 3.31Å; E152-K154 PolarHBondContact O-N 3.35Å; E152-G156 VanDerWaalsContact O-CA 3.23Å; E152-G156 WeakPolarHBondContact O-CA 3.45Å; E152-G156 PolarHBondContact O-N 3.4Å
153	E	73.4	Confident	60.9	Low	127 Å²	127	94.9 Å²	94.9	59%	0.593	49%	0.49	S	S	*	.	H	α-helix	trans	-68.9	-28.1	179.3	-166.4	169.5	154.7	0	0	112.5	R149 Q174	R149-E153 WeakPolarHBondContact O-CB 3.19Å; R149-E153 PolarHBondContact O-N 3.4Å; E153-Q174 PolarHBondContact OE2-NE2 3.02Å
154	K	71	Confident	58	Low	111 Å²	111	95 Å²	95	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-83.7	-31.5	179.1	-173.8	179.7	179.2	-165.9	0	114.3	Y150 E152	Y150-K154 HydrophobicContact CE1-CD 3.89Å; Y150-K154 WeakPolarHBondContact O-CB 3.29Å; Y150-K154 PolarHBondContact O-N 3.1Å; E152-K154 VanDerWaalsContact C-N 3.31Å; E152-K154 PolarHBondContact O-N 3.35Å
155	Y	69.3	Low	55.6	Low	63 Å²	63	97.9 Å²	97.9	25%	0.247	54%	0.539	C	S	.	.	H	α-helix	trans	-121.6	-0.8	-173.8	-54.7	-61.3	0	0	0	114.5	I48 V52 L151 L157	I48-Y155 HydrophobicContact CD1-CD2 4.37Å; I48-Y155 HydrophobicContact CD1-CE2 4.2Å; I48-Y155 HydrophobicContact CG1-CD2 4.08Å; I48-Y155 HydrophobicContact CG1-CE2 4.4Å; V52-Y155 HydrophobicContact CG1-CE2 4.45Å; V52-Y155 HydrophobicContact CG2-CE1 4.3Å; L151-Y155 HydrophobicContact CD2-CE2 4.06Å; L151-Y155 VanDerWaalsContact O-CD2 3.31Å; L151-Y155 WeakPolarHBondContact O-CD2 3.06Å; L151-Y155 PolarHBondContact O-N 2.82Å; Y155-L157 PolarHBondContact O-N 3.17Å
156	G	55.2	Low	53.9	Low	53 Å²	53	101.4 Å²	101.4	55%	0.546	55%	0.553	S	S	.	*			trans	-67.2	115	179.9	0	0	0	0	0	113	E152	E152-G156 VanDerWaalsContact O-CA 3.23Å; E152-G156 WeakPolarHBondContact O-CA 3.45Å; E152-G156 PolarHBondContact O-N 3.4Å
157	L	48.2	Very low	51.6	Low	156 Å²	156	106.3 Å²	106.3	82%	0.817	58%	0.578	S	S	*	*			trans	-79.3	129.2	170.3	-66.7	171.3	0	0	0	110.1	Y155 S159	Y155-L157 PolarHBondContact O-N 3.17Å; L157-S159 PolarHBondContact O-N 3.41Å
158	S	42.5	Very low	49.4	Very low	132 Å²	132	113.7 Å²	113.7	92%	0.923	62%	0.623	S	S	*	*			trans	-60.5	108.2	176.6	-58.5	0	0	0	0	111.6
159	S	33	Very low	47	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	66%	0.66	S	S	*	*			trans	-111.3	110	174.3	-170.8	0	0	0	0	110.8	L157	L157-S159 PolarHBondContact O-N 3.41Å
160	N	30.6	Very low	44.8	Very low	157 Å²	157	125 Å²	125	84%	0.84	68%	0.68	S	S	*	*			trans	-90.1	115.3	164.6	-89.1	-24.4	0	0	0	108.4
161	H	32.9	Very low	42.5	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.856	71%	0.708	S	S	*	*				-166.6	145.9	128.6	-118.3	-85.3	0	0	0	114.1
162	K	32.3	Very low	40.4	Very low	175 Å²	175	140 Å²	140	76%	0.761	74%	0.735	S	S	*	*			trans	-74.5	154.8	157.5	-64.6	-178.4	-176.1	-175.6	0	108.8
163	E	30.8	Very low	38.1	Very low	175 Å²	175	140.9 Å²	140.9	82%	0.818	75%	0.75	S	S	*	*			cis	-178.8	134.1	-4.8	157.7	174.5	-156.1	0	0	107.9
164	A	24.9	Very low	35.9	Very low	100 Å²	100	140.2 Å²	140.2	83%	0.826	75%	0.747	S	S	*	*			trans	-175	121.3	161.5	0	0	0	0	0	112.7
165	G	27.5	Very low	34	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	76%	0.764	S	S	*	*	S	Bend	trans	70	105.7	150.3	0	0	0	0	0	120
166	L	34.3	Very low	32.1	Very low	174 Å²	174	150.4 Å²	150.4	91%	0.911	79%	0.794	S	S	*	*			trans	52.7	76.2	146.5	-62.7	170.5	0	0	0	118.6
167	M	27.1	Very low	30.8	Very low	162 Å²	162	156 Å²	156	80%	0.798	81%	0.81	S	S	*	*				-153	143.5	124	-79.5	-139.9	159.6	0	0	109.9
168	V	31.4	Very low	29.9	Very low	156 Å²	156	153.5 Å²	153.5	95%	0.945	81%	0.805	S	S	*	*			trans	-80.3	124	176.9	177.6	0	0	0	0	108.8
169	Q	25.2	Very low	29.2	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	80%	0.802	S	S	*	*			trans	-129.4	128.8	178.3	-171.4	169.6	2.4	0	0	110.7
170	E	29.4	Very low	29	Very low	152 Å²	152	156.4 Å²	156.4	71%	0.71	80%	0.801	S	S	*	*			trans	-62.6	138.6	-179.8	-61.9	167.9	86.1	0	0	111.8
171	R	25.1	Very low	29	Very low	244 Å²	244	156 Å²	156	92%	0.921	80%	0.797	S	S	*	*			trans	-119.8	82.8	177.7	-139.8	178.4	-169.3	-163.3	2.6	111.1	S173	R171-S173 PolarHBondContact O-N 2.68Å; R171-S173 VanDerWaalsContact O-N 3.14Å
172	R	28.2	Very low	28.8	Very low	166 Å²	166	153.1 Å²	153.1	63%	0.626	79%	0.793	S	S	*	*			trans	-63	108.8	171.4	-76.6	179.4	169.6	-174.1	-6.3	109.8	Q174	R172-Q174 PolarHBondContact O-N 3.26Å; R172-Q174 VanDerWaalsContact O-N 3.15Å
173	S	27.2	Very low	28.6	Very low	104 Å²	104	152.5 Å²	152.5	73%	0.727	80%	0.798	S	S	*	*			trans	-79.4	89.5	178.4	40.3	0	0	0	0	111.9	R171 N175	R171-S173 PolarHBondContact O-N 2.68Å; R171-S173 VanDerWaalsContact O-N 3.14Å; S173-N175 PolarHBondContact O-N 2.86Å
174	Q	28.7	Very low	28.4	Very low	112 Å²	112	147.2 Å²	147.2	52%	0.523	79%	0.791	S	S	.	*			trans	-70.1	94.4	170.2	-86.9	166.7	-57.5	0	0	111.1	R149 E153 R172 R176	R149-Q174 VanDerWaalsContact NH2-NE2 3.14Å; E153-Q174 PolarHBondContact OE2-NE2 3.02Å; R172-Q174 PolarHBondContact O-N 3.26Å; R172-Q174 VanDerWaalsContact O-N 3.15Å; Q174-R176 PolarHBondContact O-N 3.41Å; Q174-R176 VanDerWaalsContact O-N 3.1Å
175	N	29.7	Very low	28.6	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	79%	0.79	S	S	*	*			trans	-61.9	106.6	169.2	-71.7	-43.9	0	0	0	110.3	S173	S173-N175 PolarHBondContact O-N 2.86Å
176	R	29.4	Very low	28.7	Very low	232 Å²	232	154.4 Å²	154.4	88%	0.875	79%	0.792	S	S	*	*			trans	-105.6	102.3	174.2	-161.7	176.4	-168	-164	3.5	111.3	Q174 S178	Q174-R176 PolarHBondContact O-N 3.41Å; Q174-R176 VanDerWaalsContact O-N 3.1Å; R176-S178 PolarHBondContact O-N 2.78Å
177	L	28.8	Very low	28.3	Very low	171 Å²	171	149.6 Å²	149.6	90%	0.895	78%	0.783	S	S	*	*			trans	-64.6	123	167.7	-63.9	166.7	0	0	0	109.5
178	S	28.1	Very low	28.3	Very low	102 Å²	102	146 Å²	146	71%	0.713	78%	0.779	S	S	*	*			trans	-108.4	94.3	177.8	50	0	0	0	0	111.4	R176 N180	R176-S178 PolarHBondContact O-N 2.78Å; S178-N180 PolarHBondContact O-N 3Å
179	L	29.6	Very low	28.3	Very low	161 Å²	161	147.8 Å²	147.8	84%	0.843	78%	0.777	S	S	*	*			trans	-86.4	95.5	165.2	-76.6	167	0	0	0	108.9	I181	L179-I181 PolarHBondContact O-N 2.88Å
180	N	28.7	Very low	28.4	Very low	148 Å²	148	142.9 Å²	142.9	79%	0.791	77%	0.774	S	S	*	*			trans	-85.2	108.4	171.5	-76.9	5.1	0	0	0	109.6	S178	S178-N180 PolarHBondContact O-N 3Å
181	I	29.4	Very low	28.4	Very low	148 Å²	148	141.5 Å²	141.5	76%	0.759	78%	0.775	S	S	*	*			trans	-106	117.2	166.4	-61.2	175.2	0	0	0	107.4	L179	L179-I181 PolarHBondContact O-N 2.88Å
182	T	29.6	Very low	28.6	Very low	125 Å²	125	138 Å²	138	77%	0.767	77%	0.769	S	S	*	*			trans	-137.9	106.7	173.5	52.5	0	0	0	0	110
183	N	28.3	Very low	28.7	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	78%	0.775	S	S	*	*			trans	-70.9	136.9	159.9	-68.8	-8.9	0	0	0	108
184	G	25.5	Very low	28.7	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	77%	0.769	S	S	*	*			trans	-109.7	-169.3	-175.5	0	0	0	0	0	114.3
185	H	30.1	Very low	28.8	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.815	78%	0.779	S	S	*	*			trans	-153.7	145.2	162.8	-106.6	55.1	0	0	0	110.3
186	D	28.1	Very low	28.9	Very low	150 Å²	150	137.7 Å²	137.7	80%	0.802	78%	0.778	S	S	*	*			trans	41.6	145.1	148.8	-52.2	-13.4	0	0	0	122.7
187	G	27.2	Very low	28.8	Very low	72 Å²	72	130 Å²	130	74%	0.742	77%	0.771	S	S	*	*			trans	-169.7	-31.8	177.8	0	0	0	0	0	120.9
188	A	27.3	Very low	28.7	Very low	86 Å²	86	131.1 Å²	131.1	71%	0.711	76%	0.763	S	S	*	*			trans	64.9	165	175.7	0	0	0	0	0	119.6
189	H	30.6	Very low	28.9	Very low	195 Å²	195	134.9 Å²	134.9	90%	0.903	77%	0.769	S	S	*	*			trans	66	136.5	-177.9	-44.3	-78.7	0	0	0	114.5
190	G	27.5	Very low	28.7	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	76%	0.757	S	S	*	*			cis	130.2	142.7	18.1	0	0	0	0	0	107.6
191	V	29.4	Very low	28.7	Very low	123 Å²	123	130.8 Å²	130.8	75%	0.745	76%	0.758	S	S	*	*			cis	-164.9	154.6	15	151	0	0	0	0	108.8
192	H	29.5	Very low	28.5	Very low	171 Å²	171	126.7 Å²	126.7	79%	0.792	75%	0.752	S	S	*	*			trans	60	157.6	175	-74.4	-58.1	0	0	0	116.3
193	D	29.7	Very low	28.5	Very low	138 Å²	138	130.4 Å²	130.4	74%	0.738	76%	0.757	S	S	*	*			cis	-159.7	179.9	-37.5	-123.5	90.7	0	0	0	106.7
194	G	28.1	Very low	28.6	Very low	59 Å²	59	127.9 Å²	127.9	61%	0.608	75%	0.748	S	S	*	*			cis	175.1	177.6	1.1	0	0	0	0	0	112.9
195	H	30.5	Very low	28.8	Very low	159 Å²	159	136.2 Å²	136.2	74%	0.736	76%	0.759	S	S	*	*			trans	44.5	116.1	163.5	-86.3	59.2	0	0	0	123.7
196	H	32	Very low	28.7	Very low	177 Å²	177	131.3 Å²	131.3	82%	0.819	76%	0.756	S	S	*	*			trans	60.2	148.9	144.6	-57.3	-21.3	0	0	0	121.1
197	G	26.7	Very low	28.7	Very low	70 Å²	70	129.1 Å²	129.1	72%	0.722	76%	0.758	S	S	*	*			cis	-169.5	138.2	-4.3	0	0	0	0	0	110.3
198	R	26.4	Very low	28.7	Very low	194 Å²	194	133.3 Å²	133.3	73%	0.732	76%	0.759	S	S	*	*				79.8	95.3	89.1	-164.8	-171.4	-172.1	-64.6	-22	116.8	D200	R198-D200 IonicContact CZ-OD2 3.52Å; R198-D200 IonicContact NH1-OD2 3.34Å; R198-D200 PolarHBondContact NH1-OD2 3.16Å; R198-D200 IonicContact NH2-OD1 3.09Å; R198-D200 IonicContact NH2-OD2 2.7Å; R198-D200 PolarHBondContact NH2-OD2 3.35Å
199	Q	32.2	Very low	28.9	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	76%	0.762	S	S	*	*			trans	-166.3	122.8	139	-103	157.1	82.5	0	0	106.2
200	D	26.8	Very low	28.9	Very low	109 Å²	109	137.9 Å²	137.9	58%	0.583	76%	0.76	S	S	*	*				65	130	64.8	-68.9	-24.9	0	0	0	113.4	R198	R198-D200 IonicContact CZ-OD2 3.52Å; R198-D200 IonicContact NH1-OD2 3.34Å; R198-D200 PolarHBondContact NH1-OD2 3.16Å; R198-D200 IonicContact NH2-OD1 3.09Å; R198-D200 IonicContact NH2-OD2 2.7Å; R198-D200 PolarHBondContact NH2-OD2 3.35Å
201	S	27.3	Very low	29	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	76%	0.762	S	S	*	*			cis	-167.1	163.6	-14	65.6	0	0	0	0	112
202	G	26.2	Very low	29	Very low	62 Å²	62	142.4 Å²	142.4	64%	0.639	77%	0.767	S	S	*	*			trans	132.1	109	161.4	0	0	0	0	0	115.3
203	F	29.2	Very low	29.1	Very low	202 Å²	202	140.8 Å²	140.8	89%	0.886	76%	0.764	S	S	*	*				69.7	130.3	65.5	-76.4	-63.6	0	0	0	113.6
204	V	30.8	Very low	29.1	Very low	108 Å²	108	145.9 Å²	145.9	66%	0.655	77%	0.773	S	S	*	*			cis	-153.1	146.6	20.2	-176.6	0	0	0	0	112.9
205	R	30.3	Very low	29.2	Very low	241 Å²	241	149.1 Å²	149.1	91%	0.909	79%	0.785	S	S	*	*			trans	62.8	150.2	160.6	-80.5	163.7	-159.5	-173.4	4.2	118.5
206	G	26.1	Very low	29	Very low	73 Å²	73	144.9 Å²	144.9	75%	0.753	79%	0.785	S	S	*	*			cis	98.4	124.6	-1.7	0	0	0	0	0	114.5
207	A	29	Very low	29.1	Very low	103 Å²	103	142.3 Å²	142.3	85%	0.851	79%	0.786	S	S	*	*			cis	-152.8	-152.7	1.9	0	0	0	0	0	108.6
208	Q	28.1	Very low	29.5	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.752	79%	0.792	S	S	*	*			cis	-150.2	-105.6	11.5	-161.6	-168.5	68.1	0	0	114.1
209	L	31.4	Very low	30.4	Very low	147 Å²	147	143.8 Å²	143.8	77%	0.77	79%	0.793	S	S	*	*			trans	-151.9	165.4	-161.2	-74.9	164.6	0	0	0	114.7
210	R	29.3	Very low	30.3	Very low	229 Å²	229	139.2 Å²	139.2	86%	0.864	79%	0.786	S	S	*	*			trans	112.5	124.9	162.4	-64.7	167.5	-177.5	179.7	0.8	113.9
211	L	30.8	Very low	30.3	Very low	152 Å²	152	139.4 Å²	139.4	80%	0.796	80%	0.796	S	S	*	*			cis	77	108.4	15.3	-160.1	146.1	0	0	0	116.9
212	T	29.5	Very low	30.4	Very low	139 Å²	139	142.4 Å²	142.4	85%	0.853	80%	0.802	S	S	*	*			trans	-173.7	150	143.9	26.5	0	0	0	0	112.4
213	D	30.7	Very low	30.7	Very low	138 Å²	138	146.5 Å²	146.5	74%	0.738	81%	0.809	S	S	*	*			trans	-88.9	166.2	-178.9	-47.8	-101.8	0	0	0	116.2
214	R	30.3	Very low	30.8	Very low	244 Å²	244	145.4 Å²	145.4	92%	0.921	81%	0.807	S	S	*	*				178	141.9	129.8	-91.1	147.2	-169	-121.2	1.3	109.9
215	C	29.3	Very low	30.7	Very low	128 Å²	128	147.1 Å²	147.1	87%	0.865	82%	0.817	S	S	*	*			cis	98	123.9	17.2	-167.8	0	0	0	0	115.7
216	G	27.8	Very low	30.7	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	81%	0.812	S	S	*	*			trans	101.9	146.6	175.3	0	0	0	0	0	114.5
217	S	33.4	Very low	30.8	Very low	122 Å²	122	147.2 Å²	147.2	85%	0.853	81%	0.808	S	S	*	*			cis	-166.9	159.6	-8.4	41.3	0	0	0	0	111.4
218	Q	35	Very low	30.8	Very low	181 Å²	181	149 Å²	149	85%	0.846	80%	0.797	S	S	*	*			trans	-83.5	166.4	171	-70.7	-173.4	-11.6	0	0	112.8
219	P	45.1	Very low	30.9	Very low	115 Å²	115	152.4 Å²	152.4	75%	0.747	80%	0.803	S	S	*	*				-129.4	156	112.2	42.5	-35.7	0	0	0	110.4
220	A	29.6	Very low	30.8	Very low	84 Å²	84	156.8 Å²	156.8	69%	0.694	81%	0.809	S	S	*	*			cis	63	136.6	45.8	0	0	0	0	0	113.7
221	S	28.1	Very low	31.2	Very low	113 Å²	113	151 Å²	151	79%	0.79	80%	0.801	S	S	*	*			cis	-175.2	135.8	-23	46.1	0	0	0	0	107.2
222	L	27.5	Very low	31.1	Very low	178 Å²	178	150.8 Å²	150.8	93%	0.932	80%	0.8	S	S	*	*			trans	-139	151.5	169.1	-154.4	76.1	0	0	0	110.6
223	N	32.8	Very low	31	Very low	148 Å²	148	153 Å²	153	79%	0.791	80%	0.798	S	S	*	*			trans	-144.7	152.2	-166.9	-123.7	-29.9	0	0	0	110.7
224	Q	31.6	Very low	31	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	80%	0.797	S	S	*	*			trans	70.1	147.8	179.6	-51.9	169.1	16.4	0	0	112.5
225	V	29.5	Very low	30.9	Very low	144 Å²	144	148.1 Å²	148.1	87%	0.873	80%	0.796	S	S	*	*			cis	-117.5	-176	32.1	175.1	0	0	0	0	112.8
226	Q	29.2	Very low	30.9	Very low	170 Å²	170	151 Å²	151	79%	0.794	80%	0.797	S	S	*	*			trans	-104.6	170.5	-160.3	-56.5	168.7	-28.8	0	0	115.3
227	E	28.4	Very low	31.1	Very low	145 Å²	145	153.2 Å²	153.2	68%	0.678	80%	0.801	S	S	*	*			trans	71	152.1	163.1	-62.7	-155.9	118.9	0	0	117.7
228	K	29	Very low	30.8	Very low	140 Å²	140	156.3 Å²	156.3	61%	0.609	80%	0.802	S	S	*	*			cis	-151.2	129.2	11	-136.4	149.6	-172.4	147.9	0	113.1
229	R	30.3	Very low	30.7	Very low	234 Å²	234	152.5 Å²	152.5	88%	0.883	80%	0.795	S	S	*	*			trans	67.7	160.9	153.6	-65.9	175.9	-178	177.4	-0	120.9
230	R	28.8	Very low	30	Very low	238 Å²	238	155.9 Å²	155.9	90%	0.898	80%	0.798	S	S	*	*			trans	-103.5	-179.6	-173.5	-68.9	-176.1	177.7	-172.4	-0.1	109.4
231	P	39	Very low	30.3	Very low	109 Å²	109	159.6 Å²	159.6	71%	0.708	81%	0.806	S	S	*	*			cis	-152.5	165.6	22.3	45.3	-23.8	0	0	0	122
232	L	27.6	Very low	31.3	Very low	147 Å²	147	159.5 Å²	159.5	77%	0.77	80%	0.802	S	S	*	*			trans	39.1	129.7	135.8	-61.8	169.3	0	0	0	124.1
233	K	28.5	Very low	31.3	Very low	185 Å²	185	159.5 Å²	159.5	80%	0.804	80%	0.802	S	S	*	*			trans	71.5	129.3	133.6	-80.6	-170.9	172.4	-172.5	0	121.6
234	A	29.5	Very low	31.1	Very low	88 Å²	88	155.8 Å²	155.8	73%	0.727	80%	0.799	S	S	*	*			trans	50.8	121.6	134.4	0	0	0	0	0	119.5
235	H	29	Very low	31	Very low	191 Å²	191	153.6 Å²	153.6	88%	0.884	80%	0.798	S	S	*	*			trans	-108.2	120.7	152.7	-88.3	25.5	0	0	0	109.5
236	Q	29.9	Very low	30.9	Very low	190 Å²	190	156.1 Å²	156.1	89%	0.888	80%	0.797	S	S	*	*			trans	-81.3	154.2	147.9	-71	174.2	-46.5	0	0	107.7
237	S	30.6	Very low	30.9	Very low	116 Å²	116	156.5 Å²	156.5	81%	0.811	80%	0.799	S	S	*	*			trans	-84.1	128.8	179.1	52.4	0	0	0	0	111.9
238	E	29	Very low	31.7	Very low	187 Å²	187	155 Å²	155	87%	0.874	80%	0.802	S	S	*	*			trans	-139	170.9	157.2	-88.3	-90	137	0	0	108
239	S	32.7	Very low	32.8	Very low	101 Å²	101	153.2 Å²	153.2	71%	0.706	81%	0.805	S	S	*	*			trans	-94.6	-160.4	-160.4	-162.4	0	0	0	0	114.6
240	F	30.4	Very low	32.9	Very low	185 Å²	185	149.9 Å²	149.9	81%	0.811	80%	0.799	S	S	*	*			trans	89.9	94.3	168.7	-54.6	-76.3	0	0	0	118.7
241	L	35.5	Very low	33.1	Very low	163 Å²	163	146 Å²	146	85%	0.853	79%	0.791	S	S	*	*			trans	-67.2	171.4	138.3	-62.5	176.4	0	0	0	109.7
242	P	47.7	Very low	32.8	Very low	110 Å²	110	146 Å²	146	71%	0.714	79%	0.794	S	S	*	*			cis	-138.7	-178.8	11.3	43.5	-26.6	0	0	0	115.7
243	L	28.7	Very low	33.1	Very low	178 Å²	178	142.9 Å²	142.9	93%	0.932	79%	0.789	S	S	*	*				177.9	155.9	127.3	-95.2	162.1	0	0	0	109.7
244	G	27.7	Very low	33.2	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	79%	0.789	S	S	*	*			trans	-151	159.8	-172.3	0	0	0	0	0	116.3
245	T	30	Very low	34.3	Very low	134 Å²	134	141.9 Å²	141.9	82%	0.822	79%	0.786	S	S	*	*			trans	-154.7	165	168.4	73.8	0	0	0	0	107.7
246	K	28.3	Very low	34.7	Very low	197 Å²	197	139.7 Å²	139.7	86%	0.857	78%	0.78	S	S	*	*			cis	-154.8	-176.6	1.2	-140.6	168.4	-172.3	178.4	0	110.6
247	Q	27.5	Very low	35	Very low	179 Å²	179	138 Å²	138	84%	0.836	78%	0.777	S	S	*	*			trans	-101.2	-172.4	169.4	-56.8	176.7	-66.8	0	0	109.5
248	P	45.9	Very low	34.9	Very low	112 Å²	112	137.2 Å²	137.2	73%	0.727	77%	0.767	S	S	*	*			cis	-145.5	-148.6	8.9	47.1	-25.7	0	0	0	113.5
249	P	51.3	Low	34.9	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	76%	0.761	S	S	*	*			cis	-129.5	-169.2	-30.8	29.6	-7.6	0	0	0	114.7
250	Q	34.2	Very low	35.6	Very low	164 Å²	164	134.7 Å²	134.7	77%	0.766	77%	0.767	S	S	*	*			trans	86.8	141.5	159.3	-62.3	-171.8	-37	0	0	118.2
251	Q	32.9	Very low	35.6	Very low	156 Å²	156	129.2 Å²	129.2	73%	0.729	76%	0.763	S	S	*	*			cis	-147	173.4	4.1	-129.2	163.9	40.1	0	0	113.2
252	S	32.4	Very low	36.3	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	76%	0.757	S	S	*	*			trans	-58.7	157.9	179.7	43.5	0	0	0	0	116.1
253	A	32.6	Very low	35.5	Very low	82 Å²	82	130.5 Å²	130.5	68%	0.678	76%	0.762	S	S	*	*			cis	-169.4	-154.9	-15.6	0	0	0	0	0	107.3
254	D	32.3	Very low	35.8	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	75%	0.753	S	S	*	*			cis	-161.8	173.9	1.4	-124.5	-17.3	0	0	0	109.2
255	P	52	Low	36.9	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	75%	0.753	S	S	*	*			trans	-86.2	-177.9	176.4	37.6	-34.1	0	0	0	112.5
256	L	37.5	Very low	36.9	Very low	145 Å²	145	128.8 Å²	128.8	76%	0.759	75%	0.751	S	S	*	*			cis	-134.9	-164.6	23.5	-69.1	158.1	0	0	0	110
257	L	35.4	Very low	37.2	Very low	155 Å²	155	128.5 Å²	128.5	81%	0.812	75%	0.75	S	S	*	*			cis	-147.7	-180	13.2	-71.7	163.3	0	0	0	109.5
258	T	29	Very low	37.5	Very low	98 Å²	98	130.4 Å²	130.4	60%	0.601	75%	0.749	S	S	*	*				-165.8	116.2	-52	-79.7	0	0	0	0	110.1
259	S	29.4	Very low	37	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	76%	0.755	S	S	*	*			trans	70	165.9	159.8	87	0	0	0	0	119.6
260	P	46.5	Very low	35.9	Very low	128 Å²	128	130.5 Å²	130.5	83%	0.831	76%	0.763	S	S	*	*			cis	-128.8	167.9	-16.8	38.9	-24.8	0	0	0	114.4
261	G	31.3	Very low	35.9	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	77%	0.765	S	S	*	*			trans	138.9	148.9	155	0	0	0	0	0	117
262	P	49.3	Very low	35.9	Very low	113 Å²	113	129.3 Å²	129.3	73%	0.734	77%	0.77	S	S	*	*			trans	-139.9	176.3	-149.7	39.9	-19.4	0	0	0	119.7
263	K	31.7	Very low	37.4	Very low	186 Å²	186	129.1 Å²	129.1	81%	0.809	77%	0.766	S	S	*	*			trans	88.8	123	165.7	-52	167.3	-174.4	177.7	0	115.8
264	S	33.7	Very low	37.3	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	77%	0.772	S	S	*	*			cis	81	164.2	23.4	89.3	0	0	0	0	116.4
265	P	51.8	Low	37.3	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	77%	0.77	S	S	*	*			cis	-118.7	176.8	-36.3	22.2	1	0	0	0	111.1
266	V	30.2	Very low	36.3	Very low	127 Å²	127	131.7 Å²	131.7	77%	0.77	78%	0.775	S	S	*	*			cis	79.7	91.6	40.2	-171.5	0	0	0	0	117.3
267	F	34.4	Very low	36.8	Very low	192 Å²	192	130.2 Å²	130.2	84%	0.842	77%	0.774	S	S	*	*			trans	45.3	144.2	137	-82.9	-78.1	0	0	0	126.6
268	R	33	Very low	36.5	Very low	218 Å²	218	128.2 Å²	128.2	82%	0.823	77%	0.773	S	S	*	*			trans	105	108.5	137.3	-89.8	176.5	-178.9	178.5	0.4	122.6
269	T	35.5	Very low	36.6	Very low	138 Å²	138	128 Å²	128	85%	0.847	78%	0.781	S	S	*	*			trans	24.6	130.4	131.6	53.5	0	0	0	0	122.5
270	G	28.7	Very low	36.6	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	79%	0.787	S	S	*	*			trans	-158.7	171.3	161.9	0	0	0	0	0	111
271	S	34.5	Very low	35.8	Very low	118 Å²	118	135.2 Å²	135.2	83%	0.825	78%	0.784	S	S	*	*			trans	-147.2	168.5	-163	58.1	0	0	0	0	116.6
272	E	33.2	Very low	35.7	Very low	177 Å²	177	141.1 Å²	141.1	83%	0.827	78%	0.784	S	S	*	*			trans	80.7	158.4	163.4	-70.6	-69.3	97.7	0	0	120
273	P	63.2	Low	34.6	Very low	104 Å²	104	140.8 Å²	140.8	68%	0.675	78%	0.784	S	S	*	*			trans	-125.6	-178.6	-151.8	45.1	-34	0	0	0	116.7
274	V	31.4	Very low	34.5	Very low	133 Å²	133	136.7 Å²	136.7	81%	0.806	79%	0.785	S	S	*	*			trans	-162.8	138.6	151.2	130.3	0	0	0	0	114.2
275	L	32.1	Very low	34.3	Very low	147 Å²	147	140.4 Å²	140.4	77%	0.77	79%	0.791	S	S	*	*			trans	9.1	121.8	157.5	-51.2	177.9	0	0	0	120.9
276	S	29.8	Very low	33.8	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	79%	0.789	S	S	*	*				78.7	158	79.6	-62.5	0	0	0	0	116.6
277	P	48.8	Very low	33.7	Very low	114 Å²	114	142 Å²	142	74%	0.74	79%	0.793	S	S	*	*			cis	-126.4	176.5	-5.1	40.5	-24.2	0	0	0	114.5
278	S	28.7	Very low	33.4	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	79%	0.792	S	S	*	*				175.1	161.6	101.6	-72	0	0	0	0	114.1
279	A	32.1	Very low	33.3	Very low	94 Å²	94	130.6 Å²	130.6	78%	0.777	79%	0.789	S	S	*	*			trans	76.3	99.3	160.5	0	0	0	0	0	121.8
280	Q	29.5	Very low	33.1	Very low	187 Å²	187	133.1 Å²	133.1	87%	0.874	79%	0.791	S	S	*	*				77.5	102.3	129.1	-138.8	125.4	-32.8	0	0	123.5
281	R	28.7	Very low	33.3	Very low	201 Å²	201	134 Å²	134	76%	0.758	79%	0.79	S	S	*	*			trans	-9.4	153.3	132.7	-65.8	-176.1	178.2	-175.3	1.9	117.7
282	R	29.7	Very low	33.4	Very low	194 Å²	194	136.3 Å²	136.3	73%	0.732	79%	0.792	S	S	*	*			cis	-170.2	150.4	3.6	-122.2	179.3	-172.5	-179.9	-1.2	112.5
283	S	26.8	Very low	33.5	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	80%	0.795	S	S	*	*			trans	47.3	139.2	140.9	66.3	0	0	0	0	124.4
284	A	29.2	Very low	32.1	Very low	100 Å²	100	137.4 Å²	137.4	83%	0.826	80%	0.796	S	S	*	*			trans	117.8	134.2	135.5	0	0	0	0	0	118.4
285	E	28.5	Very low	32.4	Very low	186 Å²	186	136.1 Å²	136.1	87%	0.869	79%	0.792	S	S	*	*			trans	-68.9	173.2	155.4	-66.6	179.4	95.7	0	0	110.5
286	P	41.7	Very low	32.5	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	79%	0.792	S	S	*	*			cis	-139.4	-173.2	13.2	40.3	-20.2	0	0	0	116.9
287	L	28.6	Very low	32.8	Very low	163 Å²	163	135.8 Å²	135.8	85%	0.853	79%	0.791	S	S	*	*			trans	83.3	131.1	146.8	-127.4	77.6	0	0	0	120.9
288	A	28.5	Very low	32.5	Very low	98 Å²	98	139 Å²	139	81%	0.81	80%	0.796	S	S	*	*			trans	45.1	132.5	143.6	0	0	0	0	0	122.5
289	G	30.1	Very low	33	Very low	73 Å²	73	142 Å²	142	75%	0.753	80%	0.803	S	S	*	*			trans	122.2	90.4	141.9	0	0	0	0	0	118.1
290	Q	31.3	Very low	33.3	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	81%	0.805	S	S	*	*			trans	45	125.1	146.4	-63.8	-178.3	-15.4	0	0	121.8
291	A	32.3	Very low	33.7	Very low	100 Å²	100	140.6 Å²	140.6	83%	0.826	80%	0.804	S	S	*	*			trans	67.1	160.5	157.4	0	0	0	0	0	116.2
292	I	36.5	Very low	34.3	Very low	167 Å²	167	140.4 Å²	140.4	86%	0.856	81%	0.808	S	S	*	*			cis	-117.2	151	2.9	-69.1	170.4	0	0	0	109.9
293	R	36.3	Very low	34.8	Very low	237 Å²	237	136.7 Å²	136.7	89%	0.894	81%	0.809	S	S	*	*			trans	-88.4	113.3	-177.4	-171.8	-176.9	-168.8	-170.4	3.8	111.7
294	G	32.9	Very low	36.1	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	81%	0.811	S	S	*	*			trans	-67.8	156.2	163.9	0	0	0	0	0	112.2
295	S	37.6	Very low	37.1	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	81%	0.811	S	S	*	*			trans	-82.7	145.5	-179.7	60.2	0	0	0	0	112.4
296	D	36	Very low	37.3	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	81%	0.812	S	S	*	*				-178.2	177.5	108.5	-88.7	-1.2	0	0	0	112	Q298	D296-Q298 PolarHBondContact O-N 2.83Å
297	S	35.7	Very low	37.5	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	82%	0.818	S	S	*	*			trans	-18.2	114.9	177.4	34.8	0	0	0	0	116.3
298	Q	42.3	Very low	38	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	82%	0.818	S	S	*	*				43.2	105.4	68.7	-61.7	-162.9	24.7	0	0	115.3	D296	D296-Q298 PolarHBondContact O-N 2.83Å
299	L	38.2	Very low	38.2	Very low	176 Å²	176	143.2 Å²	143.2	92%	0.921	82%	0.82	S	S	*	*			trans	-167.9	81.9	134.6	-91.4	-161.4	0	0	0	110.3
300	C	38.3	Very low	38.4	Very low	121 Å²	121	146.5 Å²	146.5	82%	0.818	83%	0.825	S	S	*	*			trans	-174.4	126.3	159.1	-100.5	0	0	0	0	109.8
301	P	39	Very low	38.7	Very low	131 Å²	131	142.7 Å²	142.7	85%	0.851	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.4	140.1	170.8	30.6	-33	0	0	0	110.8
302	K	40.1	Very low	38.8	Very low	197 Å²	197	147.4 Å²	147.4	86%	0.857	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-94.2	149.1	176.1	-74.5	-173	175.4	-174.5	0	111.4
303	P	42.1	Very low	38.5	Very low	116 Å²	116	146.2 Å²	146.2	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.6	154.6	175.5	30.1	-36	0	0	0	112.3
304	P	53.6	Low	38.3	Very low	121 Å²	121	147 Å²	147	79%	0.786	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73.9	145.5	178.1	30.5	-35	0	0	0	112.7
305	P	50.1	Low	38.3	Very low	125 Å²	125	151.7 Å²	151.7	81%	0.812	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-81.5	157.7	176	33.6	-35	0	0	0	113
306	K	33	Very low	38.2	Very low	204 Å²	204	152.3 Å²	152.3	89%	0.887	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72.7	143.9	178.3	-62.1	-179.7	179.2	-177.6	0	112
307	P	45.6	Very low	37.9	Very low	129 Å²	129	153.8 Å²	153.8	84%	0.838	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-73.9	153.1	173.6	31.1	-35.1	0	0	0	112.7
308	S	37.8	Very low	37.8	Very low	121 Å²	121	156.9 Å²	156.9	85%	0.846	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-95.8	169.4	173.7	53.8	0	0	0	0	112.4
309	K	33.3	Very low	37.7	Very low	197 Å²	197	153.7 Å²	153.7	86%	0.857	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-86.5	157.9	-167.7	-66.3	-178.3	175.6	-178.5	0	114.3
310	V	34.9	Very low	37.7	Very low	142 Å²	142	151.6 Å²	151.6	86%	0.861	84%	0.839	S	S	*	*			trans	82.6	143.4	151.8	155.9	0	0	0	0	116.3
311	P	37.9	Very low	37.3	Very low	111 Å²	111	151.9 Å²	151.9	72%	0.721	84%	0.842	S	S	*	*				-126.8	171.7	-124.1	43.7	-34.3	0	0	0	116.4
312	Q	33.9	Very low	36.8	Very low	199 Å²	199	149.2 Å²	149.2	93%	0.93	84%	0.839	S	S	*	*			trans	-138.1	141.9	157.5	-71.1	-165	-13.9	0	0	112.1
313	T	29.9	Very low	36.3	Very low	141 Å²	141	145 Å²	145	87%	0.865	83%	0.834	S	S	*	*			trans	-94.9	146.2	-177.2	38	0	0	0	0	112.7
314	R	31.1	Very low	35.7	Very low	253 Å²	253	144.9 Å²	144.9	96%	0.955	84%	0.836	S	S	*	*			trans	-155.1	152.8	152.8	-110.3	172	-165	-147.1	1.2	111.1
315	L	33.8	Very low	34.5	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	84%	0.836	S	S	*	*			trans	-93.2	164.3	-172.5	-80.7	167.1	0	0	0	112.3
316	P	36.4	Very low	33.4	Very low	119 Å²	119	146.2 Å²	146.2	77%	0.773	84%	0.841	S	S	*	*			trans	-84.5	167.2	-161.3	33.8	-37.5	0	0	0	115.4
317	L	30	Very low	33.2	Very low	172 Å²	172	144 Å²	144	90%	0.901	84%	0.839	S	S	*	*			trans	-109.3	149.2	169.6	-115.1	72.3	0	0	0	110.9
318	M	33.3	Very low	33.2	Very low	172 Å²	172	143.2 Å²	143.2	85%	0.847	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-87.3	158.5	167.3	-73.1	-160.4	78	0	0	111.8
319	P	39	Very low	32.7	Very low	114 Å²	114	141.9 Å²	141.9	74%	0.74	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.8	156.7	-178.6	31.3	-36.6	0	0	0	113.7
320	P	38.4	Very low	32.5	Very low	133 Å²	133	137.3 Å²	137.3	86%	0.864	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-87.8	164.4	-179.8	36.4	-36.4	0	0	0	113.6
321	S	29.3	Very low	32.1	Very low	126 Å²	126	134.7 Å²	134.7	88%	0.881	81%	0.811	S	S	*	*			trans	-131.3	142.2	175.8	58.5	0	0	0	0	112.7
322	G	28.3	Very low	31.7	Very low	76 Å²	76	140 Å²	140	78%	0.784	82%	0.817	S	S	*	*			trans	157.6	147.4	176.5	0	0	0	0	0	111.2
323	S	30.7	Very low	31.5	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	81%	0.814	S	S	*	*			cis	-157.3	167.2	-0.6	61	0	0	0	0	111.4
324	S	30.4	Very low	31.6	Very low	114 Å²	114	140 Å²	140	80%	0.797	81%	0.809	S	S	*	*			trans	52.6	124.6	152.4	54.8	0	0	0	0	119.8
325	G	26.6	Very low	31.4	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	80%	0.798	S	S	*	*			cis	125.7	145.8	-3.4	0	0	0	0	0	113.3
326	E	28.8	Very low	31.2	Very low	198 Å²	198	131 Å²	131	93%	0.925	80%	0.797	S	S	*	*			trans	-157.5	164.9	169.3	-117.9	167.1	-175.4	0	0	111.6
327	N	28.7	Very low	30.9	Very low	158 Å²	158	129.3 Å²	129.3	85%	0.845	79%	0.788	S	S	*	*			trans	-138.2	179.1	-170.7	-95.8	-58.4	0	0	0	108.6
328	P	45	Very low	30.9	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	79%	0.788	S	S	*	*			cis	-141.9	-171.7	12.8	43.2	-24.1	0	0	0	117.2
329	A	27	Very low	30.5	Very low	92 Å²	92	127.5 Å²	127.5	76%	0.76	78%	0.782	S	S	*	*			trans	77.6	142	147	0	0	0	0	0	120.5
330	S	28.9	Very low	30.7	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	79%	0.79	S	S	*	*			cis	-167.6	153.3	-12.1	55.5	0	0	0	0	114.6
331	S	27.4	Very low	30.3	Very low	86 Å²	86	127.9 Å²	127.9	60%	0.601	79%	0.787	S	S	*	*			trans	68.3	141.2	158.9	87.1	0	0	0	0	117
332	R	29.7	Very low	30.3	Very low	223 Å²	223	129.3 Å²	129.3	84%	0.842	78%	0.783	S	S	*	*			cis	-132.9	-178	6.2	-49.5	89.8	-148.4	-103.2	-3.2	108.7
333	R	29.7	Very low	30.3	Very low	232 Å²	232	130.2 Å²	130.2	88%	0.875	78%	0.777	S	S	*	*			cis	-141.5	-105.9	3.9	-160	-171.9	175.8	170.8	-1.6	114.2
334	S	30.5	Very low	30.3	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	78%	0.779	S	S	*	*			trans	-166.2	145.8	-159.4	-46.5	0	0	0	0	114.2
335	G	28.5	Very low	30.2	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	78%	0.78	S	S	*	*			trans	123.6	106.4	136.9	0	0	0	0	0	119.1
336	D	29	Very low	30.2	Very low	159 Å²	159	133.7 Å²	133.7	85%	0.85	78%	0.778	S	S	*	*			trans	47.3	147.8	132.2	-89.1	-40.2	0	0	0	122.5
337	S	30.2	Very low	31	Very low	83 Å²	83	130 Å²	130	58%	0.58	77%	0.771	S	S	*	*			cis	-169.7	167.1	-8	-142.1	0	0	0	0	112.1
338	R	29.4	Very low	31.7	Very low	238 Å²	238	128.2 Å²	128.2	90%	0.898	77%	0.768	S	S	*	*			trans	72.5	137.6	160	-61.9	166.7	-173.5	-167.9	-0.3	120
339	G	26	Very low	30.8	Very low	69 Å²	69	125.9 Å²	125.9	71%	0.711	77%	0.765	S	S	*	*			trans	-92	-153.5	161.1	0	0	0	0	0	112.5
340	P	41.9	Very low	30.9	Very low	140 Å²	140	128.1 Å²	128.1	91%	0.909	77%	0.769	S	S	*	*				-138.3	-167.2	60.1	41.2	-25.3	0	0	0	115.3
341	S	29.4	Very low	30.8	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	77%	0.768	S	S	*	*			trans	-138.7	160.8	-170.1	53.5	0	0	0	0	114.1
342	I	30.8	Very low	30.6	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	78%	0.78	S	S	*	*			trans	-170.4	136.9	164.1	-118.1	160.8	0	0	0	107.7
343	S	28.1	Very low	30.3	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	78%	0.779	S	S	*	*			cis	88.9	136.3	11.8	92	0	0	0	0	115.7
344	V	30	Very low	30.8	Very low	133 Å²	133	123 Å²	123	81%	0.806	77%	0.773	S	S	*	*			cis	-154.2	-170.7	6.6	-124.5	0	0	0	0	111.3
345	V	28	Very low	30.6	Very low	132 Å²	132	125 Å²	125	80%	0.8	78%	0.775	S	S	*	*			trans	105.5	143.8	155.8	-172.3	0	0	0	0	118.4
346	S	27.2	Very low	30.6	Very low	106 Å²	106	127.2 Å²	127.2	74%	0.741	78%	0.78	S	S	*	*			trans	-157.1	-176.5	173.3	-40.6	0	0	0	0	107.6
347	P	45.1	Very low	30.5	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	78%	0.776	S	S	*	*			cis	-115.7	-131.8	-41.6	38.5	-19.5	0	0	0	107.7
348	P	43.5	Very low	30.4	Very low	120 Å²	120	130.5 Å²	130.5	78%	0.779	79%	0.785	S	S	*	*			cis	-131.1	176.2	-33.5	38.7	-22.4	0	0	0	115.5
349	G	26.2	Very low	30.4	Very low	65 Å²	65	123.8 Å²	123.8	67%	0.67	78%	0.781	S	S	*	*			trans	125.5	158.9	138.6	0	0	0	0	0	119.8
350	V	28.6	Very low	30.5	Very low	139 Å²	139	126.2 Å²	126.2	84%	0.842	79%	0.787	S	S	*	*			trans	63.8	112	163.9	-169.7	0	0	0	0	115.6
351	V	26.8	Very low	29.8	Very low	115 Å²	115	123 Å²	123	70%	0.697	78%	0.779	S	S	*	*			cis	97.7	128.6	44.9	168.7	0	0	0	0	113.7
352	Q	24.2	Very low	29.7	Very low	183 Å²	183	129 Å²	129	86%	0.855	78%	0.784	S	S	*	*			trans	81.3	151	163.3	-84.6	162.7	-19.3	0	0	121.9
353	C	23.2	Very low	29.6	Very low	121 Å²	121	127.7 Å²	127.7	82%	0.818	78%	0.783	S	S	*	*			trans	-93.6	-161.1	175.7	-29.9	0	0	0	0	109.1
354	P	41.1	Very low	29.6	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	78%	0.783	S	S	*	*			cis	-139.1	-156.3	12.6	45.2	-24.1	0	0	0	115
355	D	25.5	Very low	29.4	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	78%	0.78	S	S	*	*			trans	-69.1	156.4	-178.5	-44.3	-97.1	0	0	0	116.2
356	S	28.5	Very low	29.4	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	78%	0.781	S	S	*	*			trans	179.9	152	147.1	-76.5	0	0	0	0	108.8
357	E	26.6	Very low	29.6	Very low	163 Å²	163	138 Å²	138	76%	0.762	79%	0.787	S	S	*	*			cis	170.9	141.1	-28.2	-105.2	-121	114.5	0	0	105.7
358	L	28.6	Very low	29	Very low	147 Å²	147	138.1 Å²	138.1	77%	0.77	79%	0.788	S	S	*	*			trans	68.2	154.2	157.8	-93.4	85.1	0	0	0	124.9
359	A	28.5	Very low	28.1	Very low	98 Å²	98	141.1 Å²	141.1	81%	0.81	79%	0.791	S	S	*	*			trans	85.1	138	158	0	0	0	0	0	119.8
360	S	29	Very low	29	Very low	120 Å²	120	142.8 Å²	142.8	84%	0.839	79%	0.79	S	S	*	*			cis	-168.5	147.9	-21.7	-169.1	0	0	0	0	111.1
361	G	26.8	Very low	29	Very low	72 Å²	72	140.4 Å²	140.4	74%	0.742	79%	0.785	S	S	*	*			trans	72.7	126.9	168.4	0	0	0	0	0	116
362	R	27.6	Very low	29.1	Very low	241 Å²	241	141.3 Å²	141.3	91%	0.909	79%	0.786	S	S	*	*			cis	88.6	74.7	17.1	-156.8	-163	-176.4	-172.9	2.8	118
363	T	28.9	Very low	29.5	Very low	129 Å²	129	138 Å²	138	79%	0.791	77%	0.773	S	S	*	*			trans	-168.6	111.7	140.1	26.7	0	0	0	0	106.9
364	E	27.8	Very low	29.8	Very low	137 Å²	137	142.4 Å²	142.4	64%	0.64	77%	0.773	S	S	*	*				92.1	126.5	73.8	-89.1	-149.9	162.9	0	0	114.8
365	R	26.3	Very low	29.2	Very low	198 Å²	198	141.9 Å²	141.9	75%	0.747	77%	0.772	S	S	*	*			trans	68.9	144.5	147.6	-75.4	176.5	173.7	121.1	6.1	117.9
366	L	26.9	Very low	29.2	Very low	159 Å²	159	140.5 Å²	140.5	83%	0.832	77%	0.773	S	S	*	*			cis	-140.8	171.1	6.2	-89.3	119.9	0	0	0	112.3
367	H	31.3	Very low	29.2	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.866	77%	0.771	S	S	*	*			trans	-78.5	156.8	165.9	-59.1	-98.4	0	0	0	113
368	P	32.5	Very low	30.2	Very low	123 Å²	123	138.1 Å²	138.1	80%	0.799	77%	0.771	S	S	*	*			trans	-131.1	140.3	159.3	37.7	-24.5	0	0	0	115.6
369	H	26.3	Very low	30.3	Very low	182 Å²	182	136.8 Å²	136.8	84%	0.843	77%	0.772	S	S	*	*			trans	-173.5	162.6	164	-148.1	-122.4	0	0	0	107.4
370	P	44.7	Very low	30.6	Very low	101 Å²	101	140.3 Å²	140.3	66%	0.656	77%	0.771	S	S	*	*			cis	-118.1	-170.9	-11.1	10.4	16	0	0	0	114.1
371	A	28.4	Very low	31	Very low	88 Å²	88	140 Å²	140	73%	0.727	77%	0.767	S	S	*	*			trans	77.5	151.8	156.5	0	0	0	0	0	117.5
372	D	29.3	Very low	31.1	Very low	134 Å²	134	141.7 Å²	141.7	72%	0.717	76%	0.759	S	S	*	*			cis	-150.6	159.4	17.7	-126	-13.8	0	0	0	113.1
373	L	30.8	Very low	31.2	Very low	113 Å²	113	139.9 Å²	139.9	59%	0.592	75%	0.752	S	S	*	*			trans	35.6	141.1	146.8	-54.3	171.5	0	0	0	120.8
374	R	30.6	Very low	31.1	Very low	214 Å²	214	140.2 Å²	140.2	81%	0.808	75%	0.749	S	S	*	*			cis	-177.7	173.4	12.3	-104.8	172.7	-179.4	136.9	6.8	106.9
375	S	27.6	Very low	31.2	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	75%	0.752	S	S	*	*			cis	-175.1	-158.6	-18.9	-164.3	0	0	0	0	109.3
376	C	26.1	Very low	31.4	Very low	120 Å²	120	140.2 Å²	140.2	81%	0.811	75%	0.749	S	S	*	*			trans	78.7	149.4	170.5	-62.5	0	0	0	0	119.2
377	S	27.9	Very low	31.3	Very low	113 Å²	113	138.6 Å²	138.6	79%	0.79	75%	0.746	S	S	*	*			trans	-160.4	-170.7	-164.5	-31.6	0	0	0	0	109.2
378	P	47.5	Very low	31.2	Very low	117 Å²	117	135 Å²	135	76%	0.76	74%	0.742	S	S	*	*			cis	-112.6	-166.9	-49.4	39.2	-23.9	0	0	0	110.2
379	P	32.3	Very low	31.1	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	74%	0.744	S	S	*	*				-152.4	167.3	88.4	40.5	-22.1	0	0	0	117
380	E	34.8	Very low	31.3	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	74%	0.741	S	S	*	*			trans	-79.3	161.5	166.2	-65.2	-66.4	134.9	0	0	111.8
381	P	37.2	Very low	30.8	Very low	115 Å²	115	132 Å²	132	75%	0.747	74%	0.741	S	S	*	*				-146	153.8	94.7	39.3	-23.9	0	0	0	117.8
382	D	28.4	Very low	31.2	Very low	107 Å²	107	130 Å²	130	57%	0.572	72%	0.722	S	S	*	*			trans	-53.8	160.5	159.7	-144.3	0.6	0	0	0	110.8
383	W	29.7	Very low	31.9	Very low	203 Å²	203	132.1 Å²	132.1	77%	0.769	73%	0.727	S	S	*	*			cis	-156.9	156	41.5	-82.5	-83	0	0	0	113.6
384	D	27.7	Very low	32.4	Very low	135 Å²	135	133.8 Å²	133.8	72%	0.722	73%	0.732	S	S	*	*			trans	51.1	137.3	149.5	-83.7	-41.4	0	0	0	119.9
385	R	29.5	Very low	32.9	Very low	189 Å²	189	129.4 Å²	129.4	71%	0.713	72%	0.721	S	S	*	*			cis	-171.6	154.3	32.1	-132.3	175.5	-159	-134.3	13.5	111.7
386	Q	28.9	Very low	33.7	Very low	147 Å²	147	131.2 Å²	131.2	69%	0.687	72%	0.717	S	S	*	*			trans	35.1	127.2	145.4	-67.2	165.3	-31.1	0	0	119
387	T	25	Very low	34.7	Very low	124 Å²	124	131.3 Å²	131.3	76%	0.761	71%	0.706	S	S	*	*			cis	-166.7	145.9	46.3	-35.4	0	0	0	0	112.2
388	S	30.3	Very low	35.5	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	70%	0.7	S	S	*	*			trans	25.9	117.6	155.5	64.1	0	0	0	0	121
389	C	29.6	Very low	35.3	Very low	127 Å²	127	132.3 Å²	132.3	86%	0.858	69%	0.688	S	S	*	*			trans	-133.1	143.3	131.9	-160.5	0	0	0	0	108.3
390	S	31.8	Very low	35.9	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	67%	0.674	S	S	*	*			trans	-87.9	109.6	-179.4	50.5	0	0	0	0	110.3	S392	S390-S392 PolarHBondContact O-N 3.18Å
391	T	32.4	Very low	36.5	Very low	108 Å²	108	128.6 Å²	128.6	66%	0.663	66%	0.659	S	S	*	*			trans	-60.6	127.3	156.2	39	0	0	0	0	108.1
392	S	38.3	Very low	36.7	Very low	47 Å²	47	127.3 Å²	127.3	33%	0.329	66%	0.657	S	S	.	*			trans	-75.9	144.2	174.9	40.7	0	0	0	0	110	S390 E394 E395	S390-S392 PolarHBondContact O-N 3.18Å; S392-E394 PolarHBondContact O-N 3.34Å; S392-E395 PolarHBondContact O-N 2.93Å
393	E	44.5	Very low	37.5	Very low	177 Å²	177	131.4 Å²	131.4	83%	0.827	67%	0.665	S	S	*	*	H	α-helix	trans	-57.8	-21.7	174.2	-60.5	174.5	154.4	0	0	111.4	E397	E393-E397 WeakPolarHBondContact O-CB 3.3Å; E393-E397 PolarHBondContact O-N 2.86Å
394	E	40.4	Very low	38.6	Very low	149 Å²	149	127.1 Å²	127.1	70%	0.696	65%	0.648	S	S	*	*	H	α-helix	trans	-61.1	-36.7	172.4	-57.2	179.9	154.4	0	0	113.6	S392 E397 E398	S392-E394 PolarHBondContact O-N 3.34Å; E394-E397 PolarHBondContact O-N 3.2Å; E394-E398 PolarHBondContact O-N 2.78Å
395	E	41.4	Very low	39.5	Very low	121 Å²	121	123.2 Å²	123.2	57%	0.565	64%	0.64	S	S	*	*	H	α-helix	trans	-74.6	-38.1	-179.7	-70.3	-176.2	153.8	0	0	111.8	S392 E397 E398 E399	S392-E395 PolarHBondContact O-N 2.93Å; E395-E397 VanDerWaalsContact C-N 3.33Å; E395-E398 PolarHBondContact O-N 2.67Å; E395-E399 PolarHBondContact O-N 2.82Å
396	E	44.3	Very low	40.7	Very low	145 Å²	145	123 Å²	123	68%	0.678	65%	0.645	S	S	*	*	H	α-helix	trans	-68	-34.6	171.9	-65.7	-164.6	166.6	0	0	111.5	E399 E400	E396-E399 PolarHBondContact O-N 2.61Å; E396-E400 PolarHBondContact O-N 3.28Å
397	E	47.1	Very low	42.1	Very low	123 Å²	123	121.6 Å²	121.6	58%	0.575	64%	0.641	S	S	*	*	H	α-helix	trans	-67.2	-28.9	172.3	-105.1	-137.2	-170.6	0	0	113.6	E393 E394 E395 K401	E393-E397 WeakPolarHBondContact O-CB 3.3Å; E393-E397 PolarHBondContact O-N 2.86Å; E394-E397 PolarHBondContact O-N 3.2Å; E395-E397 VanDerWaalsContact C-N 3.33Å; E397-K401 WeakPolarHBondContact O-CB 3.4Å; E397-K401 WeakPolarHBondContact O-CG 3.27Å; E397-K401 PolarHBondContact O-N 3.17Å; E397-K401 PolarHBondContact O-NZ 2.86Å; E397-K401 IonicContact OE2-NZ 2.68Å; E397-K401 PolarHBondContact OE2-NZ 3.12Å
398	E	45	Very low	43.8	Very low	143 Å²	143	125.1 Å²	125.1	67%	0.668	64%	0.641	S	S	*	*	H	α-helix	trans	-75.6	-41.3	171.6	-74.9	-126.7	119.3	0	0	111.8	E394 E395 E400 K401 A402	E394-E398 PolarHBondContact O-N 2.78Å; E395-E398 PolarHBondContact O-N 2.67Å; E398-E400 PolarHBondContact O-N 3.46Å; E398-K401 PolarHBondContact O-N 3.03Å; E398-A402 WeakPolarHBondContact O-CB 3.46Å; E398-A402 PolarHBondContact O-N 3.03Å
399	E	42	Very low	45.8	Very low	108 Å²	108	121.7 Å²	121.7	51%	0.505	62%	0.616	S	S	.	*	H	α-helix	trans	-60.5	-42.8	173	-94.8	-104.5	158	0	0	112.1	E395 E396 A402 R403	E395-E399 PolarHBondContact O-N 2.82Å; E396-E399 PolarHBondContact O-N 2.61Å; E399-A402 PolarHBondContact O-N 2.98Å; E399-R403 WeakPolarHBondContact O-CB 3.31Å; E399-R403 VanDerWaalsContact O-CG 3.25Å; E399-R403 WeakPolarHBondContact O-CG 3.21Å; E399-R403 PolarHBondContact O-N 3.15Å; E399-R403 IonicContact OE2-CZ 2.72Å; E399-R403 IonicContact OE2-NE 3.36Å; E399-R403 PolarHBondContact OE2-NE 3.17Å; E399-R403 IonicContact OE2-NH2 3.54Å; E399-R403 PolarHBondContact OE2-NH2 2.89Å
400	E	46.7	Very low	47.9	Very low	101 Å²	101	119.7 Å²	119.7	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-69.3	-34.9	176.5	-136.1	-129	138.3	0	0	112	E396 E398 R403 R404	E396-E400 PolarHBondContact O-N 3.28Å; E398-E400 PolarHBondContact O-N 3.46Å; E400-R403 PolarHBondContact O-N 3.1Å; E400-R404 WeakPolarHBondContact O-CB 3.41Å; E400-R404 VanDerWaalsContact O-CG 3.29Å; E400-R404 WeakPolarHBondContact O-CG 3.42Å; E400-R404 PolarHBondContact O-N 3.1Å; E400-R404 IonicContact OE1-CZ 2.63Å; E400-R404 IonicContact OE1-NE 2.95Å; E400-R404 PolarHBondContact OE1-NE 3.2Å; E400-R404 IonicContact OE1-NH2 3.14Å; E400-R404 PolarHBondContact OE1-NH2 3.41Å; E400-R404 IonicContact OE2-CZ 3.14Å; E400-R404 IonicContact OE2-NE 3.79Å; E400-R404 IonicContact OE2-NH2 2.7Å; E400-R404 PolarHBondContact OE2-NH2 3.02Å
401	K	46.2	Very low	49.8	Very low	112 Å²	112	119.1 Å²	119.1	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-62.5	-44.6	170.5	-78	178.2	-158.9	84.2	0	111.7	E397 E398 R403 R404	E397-K401 WeakPolarHBondContact O-CB 3.4Å; E397-K401 WeakPolarHBondContact O-CG 3.27Å; E397-K401 PolarHBondContact O-N 3.17Å; E397-K401 PolarHBondContact O-NZ 2.86Å; E397-K401 IonicContact OE2-NZ 2.68Å; E397-K401 PolarHBondContact OE2-NZ 3.12Å; E398-K401 PolarHBondContact O-N 3.03Å; K401-R403 VanDerWaalsContact C-N 3.31Å; K401-R403 PolarHBondContact O-N 2.97Å; K401-R404 CarbonylContact O-C 3.51Å; K401-R404 PolarHBondContact O-N 3.24Å; K401-R404 VanDerWaalsContact O-N 3.13Å
402	A	42	Very low	51.8	Low	87 Å²	87	116.5 Å²	116.5	72%	0.719	57%	0.568	S	S	*	*	H	α-helix	trans	-64.5	-35.2	178.8	0	0	0	0	0	112.4	E398 E399	E398-A402 WeakPolarHBondContact O-CB 3.46Å; E398-A402 PolarHBondContact O-N 3.03Å; E399-A402 PolarHBondContact O-N 2.98Å
403	R	45.3	Very low	53.1	Low	193 Å²	193	120 Å²	120	73%	0.728	59%	0.588	S	S	*	*	H	α-helix	trans	-73.9	-26.6	173.6	-66.6	168.2	-172.7	-142.5	4.6	112.5	E399 E400 K401 G405	E399-R403 WeakPolarHBondContact O-CB 3.31Å; E399-R403 VanDerWaalsContact O-CG 3.25Å; E399-R403 WeakPolarHBondContact O-CG 3.21Å; E399-R403 PolarHBondContact O-N 3.15Å; E399-R403 IonicContact OE2-CZ 2.72Å; E399-R403 IonicContact OE2-NE 3.36Å; E399-R403 PolarHBondContact OE2-NE 3.17Å; E399-R403 IonicContact OE2-NH2 3.54Å; E399-R403 PolarHBondContact OE2-NH2 2.89Å; E400-R403 PolarHBondContact O-N 3.1Å; K401-R403 VanDerWaalsContact C-N 3.31Å; K401-R403 PolarHBondContact O-N 2.97Å; R403-G405 PolarHBondContact O-N 2.57Å; R403-G405 VanDerWaalsContact O-N 3.14Å
404	R	52.8	Low	54.5	Low	113 Å²	113	117.6 Å²	117.6	43%	0.426	58%	0.576	S	S	.	*	S	Bend	trans	-83.7	72.2	173.4	-73.3	179.9	-174.8	-138.4	12.5	112.6	E400 K401	E400-R404 WeakPolarHBondContact O-CB 3.41Å; E400-R404 VanDerWaalsContact O-CG 3.29Å; E400-R404 WeakPolarHBondContact O-CG 3.42Å; E400-R404 PolarHBondContact O-N 3.1Å; E400-R404 IonicContact OE1-CZ 2.63Å; E400-R404 IonicContact OE1-NE 2.95Å; E400-R404 PolarHBondContact OE1-NE 3.2Å; E400-R404 IonicContact OE1-NH2 3.14Å; E400-R404 PolarHBondContact OE1-NH2 3.41Å; E400-R404 IonicContact OE2-CZ 3.14Å; E400-R404 IonicContact OE2-NE 3.79Å; E400-R404 IonicContact OE2-NH2 2.7Å; E400-R404 PolarHBondContact OE2-NH2 3.02Å; K401-R404 CarbonylContact O-C 3.51Å; K401-R404 PolarHBondContact O-N 3.24Å; K401-R404 VanDerWaalsContact O-N 3.13Å
405	G	45.6	Very low	56.1	Low	53 Å²	53	112.1 Å²	112.1	55%	0.546	55%	0.554	S	S	.	*			trans	-51.6	144.1	164.5	0	0	0	0	0	111.9	R403 L407	R403-G405 PolarHBondContact O-N 2.57Å; R403-G405 VanDerWaalsContact O-N 3.14Å; G405-L407 PolarHBondContact O-N 3.43Å
406	F	54.4	Low	57.6	Low	184 Å²	184	109.2 Å²	109.2	81%	0.807	55%	0.551	S	S	*	*			trans	-50.7	105.4	-169.6	176	-98.3	0	0	0	113.4	R408	F406-R408 HydrophobicContact CE1-CB 4.23Å; F406-R408 PolarHBondContact O-N 3Å
407	L	58.4	Low	59.2	Low	118 Å²	118	103 Å²	103	62%	0.618	52%	0.522	S	S	*	.			trans	-80.5	112.6	171	-66.3	177	0	0	0	108.8	G405 P409	G405-L407 PolarHBondContact O-N 3.43Å; L407-P409 WeakPolarHBondContact O-CD 3.17Å
408	R	62.3	Low	60.6	Low	198 Å²	198	102.4 Å²	102.4	75%	0.747	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-60	126.2	173.8	-179.3	178.3	177.7	170.1	1.2	109.5	F406	F406-R408 HydrophobicContact CE1-CB 4.23Å; F406-R408 PolarHBondContact O-N 3Å
409	P	72.1	Confident	62	Low	39 Å²	39	96.3 Å²	96.3	25%	0.253	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-56.3	139.8	178.1	-27.7	36.2	0	0	0	112.4	L407 R479	L407-P409 WeakPolarHBondContact O-CD 3.17Å; P409-R479 WeakPolarHBondContact CA-O 3.41Å
410	V	72.9	Confident	63.2	Low	85 Å²	85	94.5 Å²	94.5	52%	0.515	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-87	128.1	-177	-178.5	0	0	0	0	109.4	E412 R479	V410-E412 PolarHBondContact O-N 2.71Å; V410-R479 HydrophobicContact CG2-CB 4.43Å; V410-R479 HydrophobicContact CG2-CG 4.34Å; V410-R479 PolarHBondContact N-O 3.18Å
411	L	71.7	Confident	64.4	Low	98 Å²	98	95.8 Å²	95.8	51%	0.513	50%	0.497	S	S	.	.			trans	-73.4	108	167.8	-77.6	166.5	0	0	0	109	H493	L411-H493 HydrophobicContact CD2-CB 3.93Å; L411-H493 WeakPolarHBondContact CD2-CD2 3.4Å
412	E	74.3	Confident	65.7	Low	52 Å²	52	92.1 Å²	92.1	24%	0.243	48%	0.481	C	S	.	.			trans	-74.1	128.9	170.5	-66.7	177.7	-175.1	0	0	109.7	V410 R468 Q496	V410-E412 PolarHBondContact O-N 2.71Å; E412-R468 IonicContact OE1-CZ 3.2Å; E412-R468 IonicContact OE1-NH1 2.66Å; E412-R468 PolarHBondContact OE1-NH1 3Å; E412-R468 IonicContact OE1-NH2 3.37Å; E412-R468 PolarHBondContact OE1-NH2 3.48Å; E412-R468 IonicContact OE2-CZ 2.73Å; E412-R468 IonicContact OE2-NH1 3.78Å; E412-R468 PolarHBondContact OE2-NH1 3.13Å; E412-R468 IonicContact OE2-NH2 3.61Å; E412-R468 PolarHBondContact OE2-NH2 2.91Å; E412-Q496 HydrophobicContact CB-CB 3.94Å; E412-Q496 HydrophobicContact CB-CG 4.32Å
413	T	66.7	Low	66.9	Low	122 Å²	122	96 Å²	96	75%	0.748	48%	0.484	S	S	*	.			trans	-127.2	0.6	-174.4	57.6	0	0	0	0	114
414	E	72.7	Confident	68.2	Low	125 Å²	125	88.1 Å²	88.1	58%	0.584	46%	0.459	S	S	*	.	S	Bend	trans	-122.7	143.2	174.6	-66	-177.2	-175.3	0	0	108.5	R418 Q496	E414-R418 IonicContact OE2-CZ 2.86Å; E414-R418 IonicContact OE2-NH2 2.68Å; E414-R418 PolarHBondContact OE2-NH2 3.48Å; E414-Q496 WeakPolarHBondContact O-CG 3.49Å
415	S	75.3	Confident	69.2	Low	34 Å²	34	90.3 Å²	90.3	24%	0.238	47%	0.467	C	S	.	.			trans	-61.2	143.3	175.8	-173.9	0	0	0	0	111.9	F417 Q496 D500	S415-F417 PolarHBondContact O-N 3.22Å; S415-F417 PolarHBondContact OG-N 2.98Å; S415-F417 VanDerWaalsContact OG-N 3.16Å; S415-Q496 VanDerWaalsContact CA-NE2 3.35Å; S415-D500 WeakPolarHBondContact CB-OD1 3.32Å; S415-D500 VanDerWaalsContact OG-CG 3.31Å; S415-D500 PolarHBondContact OG-OD1 2.73Å
416	A	72.1	Confident	70.5	Confident	61 Å²	61	89.4 Å²	89.4	50%	0.504	45%	0.45	S	S	.	.	S	Bend	trans	-65.6	-17.4	169	0	0	0	0	0	112.6	D500	A416-D500 WeakPolarHBondContact CB-OD2 3.31Å; A416-D500 PolarHBondContact N-OD2 2.91Å
417	F	77.2	Confident	71.5	Confident	14 Å²	14	81 Å²	81	6%	0.061	41%	0.413	C	S	.	.			trans	-87.2	127.8	174.7	-52.2	-49	0	0	0	111.1	S415 P419 V466 D500 E503 R504 T680 D681 L684	S415-F417 PolarHBondContact O-N 3.22Å; S415-F417 PolarHBondContact OG-N 2.98Å; S415-F417 VanDerWaalsContact OG-N 3.16Å; F417-P419 VanDerWaalsContact C-CD 3.5Å; F417-V466 HydrophobicContact CE1-CG2 3.83Å; F417-V466 HydrophobicContact CZ-CG1 3.94Å; F417-V466 HydrophobicContact CZ-CG2 3.96Å; F417-D500 HydrophobicContact CD2-CB 4.36Å; F417-D500 HydrophobicContact CE2-CB 3.72Å; F417-D500 VanDerWaalsContact CE2-O 3.28Å; F417-D500 WeakPolarHBondContact CE2-O 3.27Å; F417-D500 HydrophobicContact CZ-CB 4.16Å; F417-E503 HydrophobicContact CD2-CG 4.33Å; F417-E503 HydrophobicContact CE2-CB 4.43Å; F417-E503 HydrophobicContact CE2-CG 4.45Å; F417-R504 HydrophobicContact CZ-CB 4.32Å; F417-T680 HydrophobicContact CD1-CG2 4.27Å; F417-T680 HydrophobicContact CD2-CG2 4.05Å; F417-T680 VanDerWaalsContact CE1-CB 3.46Å; F417-T680 HydrophobicContact CE1-CG2 4.06Å; F417-T680 WeakPolarHBondContact CE1-OG1 2.97Å; F417-T680 HydrophobicContact CE2-CG2 3.79Å; F417-T680 HydrophobicContact CG-CG2 4.28Å; F417-T680 HydrophobicContact CZ-CG2 3.82Å; F417-T680 WeakPolarHBondContact CZ-OG1 3.45Å; F417-D681 VanDerWaalsContact CA-OD1 3.28Å; F417-D681 WeakPolarHBondContact CA-OD1 3.33Å; F417-D681 WeakPolarHBondContact CB-OD1 3.27Å; F417-L684 HydrophobicContact CB-CD1 4.09Å; F417-L684 HydrophobicContact CG-CD1 4.41Å
418	R	76.3	Confident	72.4	Confident	111 Å²	111	78.3 Å²	78.3	42%	0.419	40%	0.402	S	S	.	.			trans	-130	69.4	177.9	-66.1	-165.6	173.9	-170.4	-5	109.6	E414 A420 E421 F422 D681	E414-R418 IonicContact OE2-CZ 2.86Å; E414-R418 IonicContact OE2-NH2 2.68Å; E414-R418 PolarHBondContact OE2-NH2 3.48Å; R418-A420 PolarHBondContact O-N 3.25Å; R418-E421 HydrophobicContact CB-CB 4.16Å; R418-E421 WeakPolarHBondContact CD-OE2 3.28Å; R418-E421 IonicContact CZ-OE2 3.66Å; R418-E421 IonicContact NE-OE2 2.73Å; R418-E421 IonicContact NH1-OE1 3.22Å; R418-E421 PolarHBondContact NH1-OE1 3.38Å; R418-E421 IonicContact NH1-OE2 2.72Å; R418-E421 PolarHBondContact NH1-OE2 3.04Å; R418-E421 PolarHBondContact O-N 3.2Å; R418-F422 PolarHBondContact O-N 3.44Å; R418-D681 PolarHBondContact N-OD1 2.87Å
419	P	74.6	Confident	72.8	Confident	14 Å²	14	73.6 Å²	73.6	9%	0.091	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.9	-178.4	28.4	-37.6	0	0	0	113.6	F417 L684 R685 A693	F417-P419 VanDerWaalsContact C-CD 3.5Å; P419-L684 HydrophobicContact CB-CB 3.98Å; P419-L684 HydrophobicContact CB-CD1 4.4Å; P419-L684 HydrophobicContact CG-CB 4.38Å; P419-L684 HydrophobicContact CG-CD1 4.17Å; P419-R685 HydrophobicContact CB-CG 4.37Å; P419-R685 PolarHBondContact O-NE 3Å; P419-R685 PolarHBondContact O-NH2 3.34Å; P419-A693 HydrophobicContact CB-CB 3.71Å; P419-A693 HydrophobicContact CG-CB 3.8Å
420	A	66.9	Low	73.1	Confident	71 Å²	71	78 Å²	78	59%	0.587	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.9	168.3	0	0	0	0	0	112.5	R418 R685	R418-A420 PolarHBondContact O-N 3.25Å; A420-R685 PolarHBondContact O-NH2 2.93Å
421	E	71.7	Confident	73.5	Confident	128 Å²	128	74.1 Å²	74.1	60%	0.598	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-15.7	-174.8	-65.5	170.6	-165.5	0	0	113.2	R418 E423	R418-E421 HydrophobicContact CB-CB 4.16Å; R418-E421 WeakPolarHBondContact CD-OE2 3.28Å; R418-E421 IonicContact CZ-OE2 3.66Å; R418-E421 IonicContact NE-OE2 2.73Å; R418-E421 IonicContact NH1-OE1 3.22Å; R418-E421 PolarHBondContact NH1-OE1 3.38Å; R418-E421 IonicContact NH1-OE2 2.72Å; R418-E421 PolarHBondContact NH1-OE2 3.04Å; R418-E421 PolarHBondContact O-N 3.2Å; E421-E423 PolarHBondContact O-N 3.49Å; E421-E423 VanDerWaalsContact O-N 3.16Å
422	F	74.9	Confident	74	Confident	34 Å²	34	76.7 Å²	76.7	15%	0.149	40%	0.398	C	S	.	.			trans	-67.1	106.8	-175.6	-178.2	-106.5	0	0	0	114	R418 K679 D681 F682 R685	R418-F422 PolarHBondContact O-N 3.44Å; F422-K679 HydrophobicContact CE2-CD 3.98Å; F422-K679 HydrophobicContact CZ-CB 4.34Å; F422-K679 HydrophobicContact CZ-CD 3.95Å; F422-D681 HydrophobicContact CB-CB 3.83Å; F422-D681 HydrophobicContact CD1-CB 3.86Å; F422-D681 HydrophobicContact CD2-CB 3.73Å; F422-D681 HydrophobicContact CE1-CB 4.36Å; F422-D681 HydrophobicContact CE2-CB 4.25Å; F422-D681 HydrophobicContact CG-CB 3.52Å; F422-F682 HydrophobicContact CE1-CB 3.81Å; F422-F682 HydrophobicContact CE1-CD2 4.43Å; F422-F682 HydrophobicContact CZ-CB 4.21Å; F422-R685 PolarHBondContact O-NE 3.07Å; F422-R685 PolarHBondContact O-NH1 3.49Å; F422-R685 PolarHBondContact O-NH2 3.42Å; F422-R685 VanDerWaalsContact O-NH2 3.15Å
423	E	67.8	Low	74.5	Confident	169 Å²	169	77.9 Å²	77.9	79%	0.79	41%	0.41	S	S	*	.			trans	-88.6	151	168.4	-63.2	-166.5	157.6	0	0	112.1	E421	E421-E423 PolarHBondContact O-N 3.49Å; E421-E423 VanDerWaalsContact O-N 3.16Å
424	S	72.5	Confident	75.2	Confident	28 Å²	28	74.1 Å²	74.1	20%	0.196	39%	0.385	C	S	.	.			trans	-154.1	148.3	-164.9	161.7	0	0	0	0	110	L426 L427 E676	S424-L426 PolarHBondContact OG-N 3.32Å; S424-L427 PolarHBondContact OG-N 2.64Å; S424-E676 WeakPolarHBondContact CA-OE1 3.34Å; S424-E676 WeakPolarHBondContact CB-OE1 3.46Å; S424-E676 PolarHBondContact OG-OE1 2.89Å
425	R	72.4	Confident	75.8	Confident	159 Å²	159	70.9 Å²	70.9	60%	0.6	37%	0.37	S	S	*	.	S	Bend	trans	-80.9	-26.3	173.8	-66.6	170.8	-65.3	-164.7	-4.3	111.7	E672 E676	R425-E672 IonicContact NH2-OE2 3.73Å; R425-E676 IonicContact CZ-OE2 3.43Å; R425-E676 PolarHBondContact N-OE1 3.09Å; R425-E676 IonicContact NE-OE2 3.74Å; R425-E676 PolarHBondContact NE-OE2 3.46Å; R425-E676 IonicContact NH2-OE2 2.73Å; R425-E676 PolarHBondContact NH2-OE2 3.08Å
426	L	73.3	Confident	76.1	Confident	34 Å²	34	74.2 Å²	74.2	18%	0.178	38%	0.383	C	S	.	.	S	Bend	trans	-96.2	-15.5	-176.3	-63.9	177.7	0	0	0	114.1	S424 R441 L445 D673 E676 V677 F682	S424-L426 PolarHBondContact OG-N 3.32Å; L426-R441 HydrophobicContact CD2-CG 4.16Å; L426-L445 HydrophobicContact CD1-CD1 3.93Å; L426-D673 HydrophobicContact CD1-CB 4.41Å; L426-E676 HydrophobicContact CD1-CB 4.31Å; L426-E676 PolarHBondContact N-OE1 3.12Å; L426-E676 VanDerWaalsContact N-OE1 3.09Å; L426-V677 HydrophobicContact CD1-CG2 3.88Å; L426-F682 HydrophobicContact CB-CE2 3.78Å; L426-F682 HydrophobicContact CB-CZ 4.41Å
427	L	75.3	Confident	76.7	Confident	8 Å²	8	74.5 Å²	74.5	4%	0.042	39%	0.386	C	S	.	.	S	Bend	trans	-118.3	129.6	176.7	-78.9	164.2	0	0	0	112.3	S424 N431 V438 F682 R685	S424-L427 PolarHBondContact OG-N 2.64Å; L427-N431 HydrophobicContact CD2-CB 3.93Å; L427-V438 HydrophobicContact CD2-CG1 3.97Å; L427-V438 HydrophobicContact CD2-CG2 4.17Å; L427-V438 HydrophobicContact CG-CG1 4.38Å; L427-F682 HydrophobicContact CD1-CB 4.45Å; L427-F682 HydrophobicContact CD1-CD2 3.33Å; L427-F682 HydrophobicContact CD1-CE2 3.59Å; L427-F682 HydrophobicContact CD1-CG 3.92Å; L427-F682 HydrophobicContact CD1-CZ 4.38Å; L427-F682 HydrophobicContact CG-CD2 3.88Å; L427-F682 HydrophobicContact CG-CE2 3.59Å; L427-F682 HydrophobicContact CG-CZ 4.32Å; L427-R685 HydrophobicContact CD1-CB 3.67Å
428	P	77.3	Confident	77	Confident	60 Å²	60	74.4 Å²	74.4	39%	0.39	39%	0.386	S	S	.	.			trans	-59.3	153.6	164.8	-22.3	33.8	0	0	0	112.4	E430 N431	P428-E430 PolarHBondContact O-N 2.94Å; P428-N431 PolarHBondContact O-N 3.35Å
429	P	71.9	Confident	77.4	Confident	99 Å²	99	71 Å²	71	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-38.3	178.5	23.9	-32.8	0	0	0	113.1
430	E	76.9	Confident	77.9	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	60.5	169.6	-73	-136	114	0	0	111.7	P428 R691	P428-E430 PolarHBondContact O-N 2.94Å; E430-R691 IonicContact OE1-CZ 3.76Å; E430-R691 IonicContact OE1-NE 3.44Å; E430-R691 PolarHBondContact OE1-NE 2.68Å; E430-R691 IonicContact OE1-NH2 3.75Å; E430-R691 PolarHBondContact OE1-NH2 3.18Å; E430-R691 IonicContact OE2-NH2 2.74Å
431	N	80.9	Confident	78.7	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.016	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-71.7	152.1	176.4	89.3	-68.7	0	0	0	112.7	L427 P428 R685 S690	L427-N431 HydrophobicContact CD2-CB 3.93Å; P428-N431 PolarHBondContact O-N 3.35Å; N431-R685 PolarHBondContact ND2-O 2.94Å; N431-S690 PolarHBondContact O-N 3.25Å; N431-S690 PolarHBondContact O-OG 3.16Å; N431-S690 PolarHBondContact OD1-N 2.92Å
432	K	83.2	Confident	79.2	Confident	152 Å²	152	72.5 Å²	72.5	66%	0.661	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-94.2	153.3	172.6	-71.8	170.3	-175.6	165.5	0	111.3	L434 E435	K432-L434 PolarHBondContact O-N 2.87Å; K432-E435 PolarHBondContact N-OE2 3.35Å; K432-E435 VanDerWaalsContact N-OE2 3.14Å
433	P	83.9	Confident	79.7	Confident	77 Å²	77	72.7 Å²	72.7	50%	0.5	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	136.5	171.6	25	-33.8	0	0	0	110.9	E435 L687	P433-E435 VanDerWaalsContact C-N 3.34Å; P433-E435 PolarHBondContact O-N 3.08Å; P433-L687 VanDerWaalsContact CB-O 3.25Å; P433-L687 WeakPolarHBondContact CB-O 3.5Å
434	L	83.4	Confident	80.5	Confident	44 Å²	44	70.2 Å²	70.2	23%	0.23	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	45.4	178.7	-58.9	178	0	0	0	113.7	K432 M436 L439 V514 L686 L687 F704 I707	K432-L434 PolarHBondContact O-N 2.87Å; L434-M436 PolarHBondContact O-N 2.89Å; L434-M436 VanDerWaalsContact O-N 3.15Å; L434-L439 HydrophobicContact CB-CD1 4.1Å; L434-L439 HydrophobicContact CD2-CD1 4.44Å; L434-L439 WeakPolarHBondContact O-CD1 3.22Å; L434-V514 HydrophobicContact CD2-CG1 3.8Å; L434-V514 HydrophobicContact CD2-CG2 4.42Å; L434-L686 WeakPolarHBondContact CA-O 3.23Å; L434-L686 PolarHBondContact N-O 2.95Å; L434-L687 HydrophobicContact CD2-CD2 3.99Å; L434-F704 HydrophobicContact CD1-CE1 4.21Å; L434-F704 HydrophobicContact CD1-CZ 3.95Å; L434-F704 HydrophobicContact CD2-CE1 4.15Å; L434-F704 HydrophobicContact CD2-CZ 3.96Å; L434-F704 HydrophobicContact CG-CE1 4.49Å; L434-F704 HydrophobicContact CG-CZ 3.98Å; L434-I707 HydrophobicContact CD1-CG2 4.17Å
435	E	84.2	Confident	81	Confident	56 Å²	56	69.2 Å²	69.2	26%	0.262	35%	0.346	S	S	.	.			trans	-66	112.3	-178.2	-172.4	155.4	176.9	0	0	112.5	K432 P433 A437 V438 L439	K432-E435 PolarHBondContact N-OE2 3.35Å; K432-E435 VanDerWaalsContact N-OE2 3.14Å; P433-E435 VanDerWaalsContact C-N 3.34Å; P433-E435 PolarHBondContact O-N 3.08Å; E435-A437 VanDerWaalsContact C-N 3.25Å; E435-A437 PolarHBondContact O-N 2.89Å; E435-A437 VanDerWaalsContact O-N 3.13Å; E435-V438 HydrophobicContact CB-CG2 4.27Å; E435-V438 HydrophobicContact CG-CG2 4.23Å; E435-V438 PolarHBondContact O-N 3.02Å; E435-L439 PolarHBondContact O-N 3.45Å
436	M	82.6	Confident	81.5	Confident	105 Å²	105	63 Å²	63	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-28.5	-169.6	-175.1	57	57.5	0	0	114.6	L434 K440	L434-M436 PolarHBondContact O-N 2.89Å; L434-M436 VanDerWaalsContact O-N 3.15Å; M436-K440 HydrophobicContact CG-CD 4.43Å; M436-K440 WeakPolarHBondContact O-CB 3.5Å; M436-K440 VanDerWaalsContact O-CG 3.25Å; M436-K440 WeakPolarHBondContact O-CG 3.43Å; M436-K440 PolarHBondContact O-N 3.16Å; M436-K440 VanDerWaalsContact O-N 3.11Å; M436-K440 HydrophobicContact SD-CD 4.45Å; M436-K440 HydrophobicContact SD-CG 4.32Å
437	A	83.9	Confident	82	Confident	67 Å²	67	66 Å²	66	55%	0.554	34%	0.34	S	S	*	.	H	α-helix	trans	-68.6	-46.6	174.8	0	0	0	0	0	111.3	E435 K440 R441	E435-A437 VanDerWaalsContact C-N 3.25Å; E435-A437 PolarHBondContact O-N 2.89Å; E435-A437 VanDerWaalsContact O-N 3.13Å; A437-K440 PolarHBondContact O-N 3.49Å; A437-R441 PolarHBondContact O-N 3.14Å
438	V	84.2	Confident	82.4	Confident	11 Å²	11	69.8 Å²	69.8	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-70	-41.1	179.7	-170.9	0	0	0	0	110.6	L427 E435 K440 R441 A442 F682 L686	L427-V438 HydrophobicContact CD2-CG1 3.97Å; L427-V438 HydrophobicContact CD2-CG2 4.17Å; L427-V438 HydrophobicContact CG-CG1 4.38Å; E435-V438 HydrophobicContact CB-CG2 4.27Å; E435-V438 HydrophobicContact CG-CG2 4.23Å; E435-V438 PolarHBondContact O-N 3.02Å; V438-K440 VanDerWaalsContact C-N 3.32Å; V438-K440 PolarHBondContact O-N 2.82Å; V438-R441 PolarHBondContact O-N 3.13Å; V438-A442 WeakPolarHBondContact O-CB 3.29Å; V438-A442 PolarHBondContact O-N 3.4Å; V438-F682 HydrophobicContact CG1-CE2 4.39Å; V438-F682 HydrophobicContact CG1-CZ 3.81Å; V438-L686 HydrophobicContact CB-CD1 3.97Å; V438-L686 HydrophobicContact CG1-CD1 3.82Å
439	L	83.8	Confident	82.6	Confident	39 Å²	39	68.9 Å²	68.9	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-57.8	-42.4	172.4	-72.7	171.7	0	0	0	112	L434 E435 K443 V514 L686	L434-L439 HydrophobicContact CB-CD1 4.1Å; L434-L439 HydrophobicContact CD2-CD1 4.44Å; L434-L439 WeakPolarHBondContact O-CD1 3.22Å; E435-L439 PolarHBondContact O-N 3.45Å; L439-K443 WeakPolarHBondContact O-CB 3.32Å; L439-K443 PolarHBondContact O-N 3.04Å; L439-V514 HydrophobicContact CD2-CG1 4.08Å; L439-L686 HydrophobicContact CD2-CD1 4.01Å; L439-L686 HydrophobicContact CD2-CD2 4.1Å; L439-L686 HydrophobicContact CD2-CG 4.16Å; L439-L686 HydrophobicContact CG-CD1 4.12Å
440	K	84.4	Confident	83.2	Confident	130 Å²	130	69.9 Å²	69.9	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-42.7	175.2	-77.4	176.5	178.3	-173.4	0	112.5	M436 A437 V438 K443 Q444	M436-K440 HydrophobicContact CG-CD 4.43Å; M436-K440 WeakPolarHBondContact O-CB 3.5Å; M436-K440 VanDerWaalsContact O-CG 3.25Å; M436-K440 WeakPolarHBondContact O-CG 3.43Å; M436-K440 PolarHBondContact O-N 3.16Å; M436-K440 VanDerWaalsContact O-N 3.11Å; M436-K440 HydrophobicContact SD-CD 4.45Å; M436-K440 HydrophobicContact SD-CG 4.32Å; A437-K440 PolarHBondContact O-N 3.49Å; V438-K440 VanDerWaalsContact C-N 3.32Å; V438-K440 PolarHBondContact O-N 2.82Å; K440-K443 PolarHBondContact O-N 3.06Å; K440-Q444 WeakPolarHBondContact O-CB 3.28Å; K440-Q444 VanDerWaalsContact O-CG 3.28Å; K440-Q444 WeakPolarHBondContact O-CG 3.4Å; K440-Q444 PolarHBondContact O-N 2.85Å
441	R	83.7	Confident	83.4	Confident	107 Å²	107	66 Å²	66	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.9	177.9	57.7	-179.5	172	2.9	111.7	L426 A437 V438 Q444 L445 D673	L426-R441 HydrophobicContact CD2-CG 4.16Å; A437-R441 PolarHBondContact O-N 3.14Å; V438-R441 PolarHBondContact O-N 3.13Å; R441-Q444 WeakPolarHBondContact O-CB 3.09Å; R441-Q444 PolarHBondContact O-N 3.15Å; R441-L445 HydrophobicContact CG-CD1 4.21Å; R441-L445 WeakPolarHBondContact O-CG 3.31Å; R441-L445 PolarHBondContact O-N 3.44Å; R441-D673 IonicContact CZ-OD2 3.88Å; R441-D673 IonicContact NE-OD2 3.92Å; R441-D673 IonicContact NH2-OD2 3.58Å; R441-D673 PolarHBondContact NH2-OD2 3.11Å
442	A	83.9	Confident	83.4	Confident	9 Å²	9	71.5 Å²	71.5	7%	0.074	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-45.9	174.4	0	0	0	0	0	111.3	V438 Q444 L445 L446 V677	V438-A442 WeakPolarHBondContact O-CB 3.29Å; V438-A442 PolarHBondContact O-N 3.4Å; A442-Q444 VanDerWaalsContact C-N 3.32Å; A442-Q444 PolarHBondContact O-N 3.4Å; A442-L445 PolarHBondContact O-N 3.49Å; A442-L446 WeakPolarHBondContact O-CB 3.12Å; A442-L446 WeakPolarHBondContact O-CG 3.45Å; A442-L446 PolarHBondContact O-N 2.92Å; A442-V677 HydrophobicContact CB-CG1 4.12Å; A442-V677 HydrophobicContact CB-CG2 4.32Å
443	K	84.4	Confident	83.2	Confident	38 Å²	38	65.3 Å²	65.3	17%	0.165	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-36.3	174.9	-168.4	177.2	-177	-171.5	0	112.4	L439 K440 L447 C519	L439-K443 WeakPolarHBondContact O-CB 3.32Å; L439-K443 PolarHBondContact O-N 3.04Å; K440-K443 PolarHBondContact O-N 3.06Å; K443-L447 HydrophobicContact CD-CD1 4.5Å; K443-L447 HydrophobicContact CG-CD1 4Å; K443-L447 HydrophobicContact CG-CG 4.4Å; K443-L447 VanDerWaalsContact O-CB 3.27Å; K443-L447 WeakPolarHBondContact O-CB 3.25Å; K443-L447 WeakPolarHBondContact O-CG 3.44Å; K443-L447 PolarHBondContact O-N 2.87Å; K443-C519 PolarHBondContact NZ-SG 3Å
444	Q	84.9	Confident	83	Confident	116 Å²	116	62.1 Å²	62.1	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-46.6	173.2	-77.8	171.9	-15.5	0	0	112.5	K440 R441 A442 L446 L447 S448	K440-Q444 WeakPolarHBondContact O-CB 3.28Å; K440-Q444 VanDerWaalsContact O-CG 3.28Å; K440-Q444 WeakPolarHBondContact O-CG 3.4Å; K440-Q444 PolarHBondContact O-N 2.85Å; R441-Q444 WeakPolarHBondContact O-CB 3.09Å; R441-Q444 PolarHBondContact O-N 3.15Å; A442-Q444 VanDerWaalsContact C-N 3.32Å; A442-Q444 PolarHBondContact O-N 3.4Å; Q444-L446 VanDerWaalsContact C-N 3.32Å; Q444-L446 PolarHBondContact O-N 2.98Å; Q444-L447 CarbonylContact O-C 3.56Å; Q444-L447 WeakPolarHBondContact O-CA 3.38Å; Q444-L447 PolarHBondContact O-N 3.47Å; Q444-S448 PolarHBondContact O-N 3.22Å; Q444-S448 PolarHBondContact O-OG 2.96Å
445	L	82.6	Confident	82.7	Confident	7 Å²	7	60 Å²	60	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-39.1	175.8	-76.6	168.9	0	0	0	111.9	L426 R441 A442 S448 H449 D673 V677	L426-L445 HydrophobicContact CD1-CD1 3.93Å; R441-L445 HydrophobicContact CG-CD1 4.21Å; R441-L445 WeakPolarHBondContact O-CG 3.31Å; R441-L445 PolarHBondContact O-N 3.44Å; A442-L445 PolarHBondContact O-N 3.49Å; L445-S448 PolarHBondContact O-OG 3.23Å; L445-S448 VanDerWaalsContact O-OG 3.08Å; L445-H449 PolarHBondContact O-ND1 3.3Å; L445-D673 HydrophobicContact CD1-CB 3.98Å; L445-D673 HydrophobicContact CD2-CB 3.93Å; L445-V677 HydrophobicContact CD1-CG2 3.93Å
446	L	82.7	Confident	82.3	Confident	29 Å²	29	58 Å²	58	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-46.1	169.2	-70.3	171.6	0	0	0	110.2	A442 Q444 S448 H449 I454 R532 L674 F678	A442-L446 WeakPolarHBondContact O-CB 3.12Å; A442-L446 WeakPolarHBondContact O-CG 3.45Å; A442-L446 PolarHBondContact O-N 2.92Å; Q444-L446 VanDerWaalsContact C-N 3.32Å; Q444-L446 PolarHBondContact O-N 2.98Å; L446-S448 PolarHBondContact O-N 2.92Å; L446-H449 PolarHBondContact O-N 3.46Å; L446-I454 HydrophobicContact CD2-CD1 4.36Å; L446-R532 VanDerWaalsContact O-CZ 3.23Å; L446-R532 PolarHBondContact O-NH1 3.34Å; L446-R532 PolarHBondContact O-NH2 2.99Å; L446-L674 HydrophobicContact CD2-CD1 4.25Å; L446-F678 HydrophobicContact CD2-CE1 3.88Å; L446-F678 HydrophobicContact CD2-CZ 3.67Å
447	L	83.6	Confident	82	Confident	97 Å²	97	53 Å²	53	51%	0.508	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-26.4	-176.4	-79.6	167.7	0	0	0	114.6	K443 Q444 H449 R532	K443-L447 HydrophobicContact CD-CD1 4.5Å; K443-L447 HydrophobicContact CG-CD1 4Å; K443-L447 HydrophobicContact CG-CG 4.4Å; K443-L447 VanDerWaalsContact O-CB 3.27Å; K443-L447 WeakPolarHBondContact O-CB 3.25Å; K443-L447 WeakPolarHBondContact O-CG 3.44Å; K443-L447 PolarHBondContact O-N 2.87Å; Q444-L447 CarbonylContact O-C 3.56Å; Q444-L447 WeakPolarHBondContact O-CA 3.38Å; Q444-L447 PolarHBondContact O-N 3.47Å; L447-H449 VanDerWaalsContact C-N 3.32Å; L447-R532 VanDerWaalsContact CA-NH2 3.33Å
448	S	83.8	Confident	81.6	Confident	87 Å²	87	50.2 Å²	50.2	61%	0.608	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.4	176.7	59.2	0	0	0	0	114.3	Q444 L445 L446	Q444-S448 PolarHBondContact O-N 3.22Å; Q444-S448 PolarHBondContact O-OG 2.96Å; L445-S448 PolarHBondContact O-OG 3.23Å; L445-S448 VanDerWaalsContact O-OG 3.08Å; L446-S448 PolarHBondContact O-N 2.92Å
449	H	82.6	Confident	81	Confident	42 Å²	42	49.7 Å²	49.7	19%	0.194	25%	0.248	C	C	.	.	S	Bend	trans	-110.6	145.2	-173.3	-73.3	103.4	0	0	0	113.8	L445 L446 L447 I454 R532 D671 L674	L445-H449 PolarHBondContact O-ND1 3.3Å; L446-H449 PolarHBondContact O-N 3.46Å; L447-H449 VanDerWaalsContact C-N 3.32Å; H449-I454 HydrophobicContact CB-CD1 4.34Å; H449-I454 HydrophobicContact CB-CG1 4.06Å; H449-R532 PolarHBondContact O-NH1 2.91Å; H449-D671 IonicContact CE1-OD2 3.39Å; H449-D671 PolarHBondContact CE1-OD2 3.27Å; H449-D671 VanDerWaalsContact CE1-OD2 3.23Å; H449-D671 IonicContact NE2-OD2 3.48Å; H449-L674 HydrophobicContact CB-CD2 4.24Å
450	D	83.5	Confident	80.1	Confident	119 Å²	119	48.6 Å²	48.6	64%	0.636	24%	0.243	S	C	*	.			trans	-69.4	151.9	175.3	-77.8	-52.3	0	0	0	113.3	Q452 S453 I454	D450-Q452 VanDerWaalsContact C-N 3.25Å; D450-Q452 PolarHBondContact O-N 3.24Å; D450-S453 WeakPolarHBondContact O-CB 3.25Å; D450-S453 PolarHBondContact O-N 2.83Å; D450-I454 PolarHBondContact O-N 3.49Å
451	H	81.3	Confident	79.1	Confident	52 Å²	52	42.8 Å²	42.8	24%	0.241	22%	0.218	C	C	.	.	H	α-helix	trans	-51.2	-42.4	178.3	-51.9	86.5	0	0	0	113.1	A455 R532 L535 V536 E539	H451-A455 WeakPolarHBondContact O-CB 3.23Å; H451-A455 PolarHBondContact O-N 3.32Å; H451-R532 WeakPolarHBondContact NE2-CD 3.33Å; H451-R532 WeakPolarHBondContact NE2-CG 3.43Å; H451-L535 WeakPolarHBondContact CD2-CB 3.37Å; H451-V536 HydrophobicContact CB-CG2 4.26Å; H451-E539 HydrophobicContact CB-CG 4.37Å
452	Q	80.4	Confident	78	Confident	117 Å²	117	37.8 Å²	37.8	55%	0.547	20%	0.199	S	C	.	.	H	α-helix	trans	-70.1	-42.6	178.5	-73.1	-179.9	-22.6	0	0	112	D450 A455 T456 E539	D450-Q452 VanDerWaalsContact C-N 3.25Å; D450-Q452 PolarHBondContact O-N 3.24Å; Q452-A455 PolarHBondContact O-N 2.75Å; Q452-T456 PolarHBondContact O-N 3.2Å; Q452-T456 PolarHBondContact O-OG1 3.04Å; Q452-E539 HydrophobicContact CG-CB 4.38Å; Q452-E539 HydrophobicContact CG-CG 3.75Å; Q452-E539 VanDerWaalsContact CG-OE2 3.23Å; Q452-E539 WeakPolarHBondContact CG-OE2 3.49Å; Q452-E539 PolarHBondContact NE2-OE2 2.93Å
453	S	80.4	Confident	76.8	Confident	23 Å²	23	37.3 Å²	37.3	16%	0.161	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-43.7	175	-178.2	0	0	0	0	111.4	D450 A455 T456 H457	D450-S453 WeakPolarHBondContact O-CB 3.25Å; D450-S453 PolarHBondContact O-N 2.83Å; S453-A455 VanDerWaalsContact C-N 3.31Å; S453-A455 PolarHBondContact O-N 3.46Å; S453-T456 PolarHBondContact O-N 3.11Å; S453-T456 PolarHBondContact O-OG1 3.24Å; S453-H457 WeakPolarHBondContact O-CB 3.25Å; S453-H457 PolarHBondContact O-N 3.39Å; S453-H457 PolarHBondContact O-ND1 2.89Å; S453-H457 PolarHBondContact OG-CE1 3.38Å; S453-H457 VanDerWaalsContact OG-CE1 3.25Å; S453-H457 PolarHBondContact OG-ND1 2.94Å
454	I	79.6	Confident	75.6	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-44	174.2	-71.1	166.5	0	0	0	111	L446 H449 D450 L458 V536 F678	L446-I454 HydrophobicContact CD2-CD1 4.36Å; H449-I454 HydrophobicContact CB-CD1 4.34Å; H449-I454 HydrophobicContact CB-CG1 4.06Å; D450-I454 PolarHBondContact O-N 3.49Å; I454-L458 HydrophobicContact CG2-CD1 4Å; I454-L458 WeakPolarHBondContact O-CB 3.4Å; I454-L458 VanDerWaalsContact O-CG 3.31Å; I454-L458 WeakPolarHBondContact O-CG 3.48Å; I454-L458 PolarHBondContact O-N 3.19Å; I454-V536 HydrophobicContact CB-CG2 4.21Å; I454-V536 HydrophobicContact CG2-CG1 3.87Å; I454-V536 HydrophobicContact CG2-CG2 3.85Å; I454-F678 HydrophobicContact CG2-CZ 3.94Å
455	A	77.2	Confident	74.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-40.9	179.9	0	0	0	0	0	113.1	H451 Q452 S453 K459 V536 E539 L540 V544	H451-A455 WeakPolarHBondContact O-CB 3.23Å; H451-A455 PolarHBondContact O-N 3.32Å; Q452-A455 PolarHBondContact O-N 2.75Å; S453-A455 VanDerWaalsContact C-N 3.31Å; S453-A455 PolarHBondContact O-N 3.46Å; A455-K459 WeakPolarHBondContact O-CB 3.22Å; A455-K459 PolarHBondContact O-N 3.45Å; A455-K459 VanDerWaalsContact O-N 3.1Å; A455-V536 HydrophobicContact CB-CG1 4.46Å; A455-E539 HydrophobicContact CB-CB 4.09Å; A455-L540 HydrophobicContact CB-CD2 3.78Å; A455-L540 HydrophobicContact CB-CG 3.91Å; A455-V544 HydrophobicContact CB-CG2 3.8Å
456	T	74.7	Confident	73.3	Confident	13 Å²	13	37.9 Å²	37.9	8%	0.08	20%	0.201	C	C	.	.	H	α-helix	trans	-70.2	-37.6	176.4	53	0	0	0	0	112.6	Q452 S453 K459 L460 V544 F668	Q452-T456 PolarHBondContact O-N 3.2Å; Q452-T456 PolarHBondContact O-OG1 3.04Å; S453-T456 PolarHBondContact O-N 3.11Å; S453-T456 PolarHBondContact O-OG1 3.24Å; T456-K459 PolarHBondContact O-N 3.42Å; T456-L460 WeakPolarHBondContact O-CB 3.48Å; T456-L460 PolarHBondContact O-N 3.46Å; T456-V544 HydrophobicContact CG2-CG2 4.13Å; T456-F668 HydrophobicContact CG2-CD2 4.41Å; T456-F668 HydrophobicContact CG2-CE2 4.21Å; T456-F668 WeakPolarHBondContact OG1-CE2 3.49Å; T456-F668 WeakPolarHBondContact OG1-CZ 3.22Å
457	H	77.1	Confident	72.2	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-41.7	174	-76.7	94.1	0	0	0	112.4	S453 L461 F668 F670 D671 L674 L675 F678	S453-H457 WeakPolarHBondContact O-CB 3.25Å; S453-H457 PolarHBondContact O-N 3.39Å; S453-H457 PolarHBondContact O-ND1 2.89Å; S453-H457 PolarHBondContact OG-CE1 3.38Å; S453-H457 VanDerWaalsContact OG-CE1 3.25Å; S453-H457 PolarHBondContact OG-ND1 2.94Å; H457-L461 WeakPolarHBondContact O-CB 3.2Å; H457-L461 PolarHBondContact O-N 2.92Å; H457-F668 AromaticContact CE1-CE1 3.4Å; H457-F668 WeakPolarHBondContact CE1-CE1 3.39Å; H457-F668 AromaticContact CE1-CZ 3.57Å; H457-F668 AromaticContact ND1-CE1 3.79Å; H457-F668 AromaticContact ND1-CZ 3.73Å; H457-F668 AromaticContact NE2-CE1 3.87Å; H457-F670 WeakPolarHBondContact NE2-CA 3.23Å; H457-D671 PolarHBondContact NE2-N 3.08Å; H457-L674 HydrophobicContact CB-CD2 4.21Å; H457-L674 HydrophobicContact CB-CG 4.47Å; H457-L675 HydrophobicContact CB-CD2 4.31Å; H457-F678 HydrophobicContact CB-CD2 4.04Å; H457-F678 HydrophobicContact CB-CE2 3.94Å
458	L	74.1	Confident	71.4	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-46.1	173.8	-78.2	168.1	0	0	0	111.8	I454 L462 M508 V536 L540 F678	I454-L458 HydrophobicContact CG2-CD1 4Å; I454-L458 WeakPolarHBondContact O-CB 3.4Å; I454-L458 VanDerWaalsContact O-CG 3.31Å; I454-L458 WeakPolarHBondContact O-CG 3.48Å; I454-L458 PolarHBondContact O-N 3.19Å; L458-L462 PolarHBondContact O-N 2.9Å; L458-M508 HydrophobicContact CD2-CE 3.9Å; L458-M508 HydrophobicContact CD2-SD 4.25Å; L458-V536 HydrophobicContact CD1-CG1 4.26Å; L458-L540 HydrophobicContact CD1-CD1 4.45Å; L458-F678 HydrophobicContact CD2-CB 4.31Å; L458-F678 HydrophobicContact CD2-CD1 3.54Å; L458-F678 HydrophobicContact CD2-CD2 4.17Å; L458-F678 HydrophobicContact CD2-CE1 3.82Å; L458-F678 HydrophobicContact CD2-CE2 4.39Å; L458-F678 HydrophobicContact CD2-CG 3.76Å; L458-F678 HydrophobicContact CD2-CZ 4.24Å; L458-F678 HydrophobicContact CG-CD1 4.29Å; L458-F678 HydrophobicContact CG-CD2 4.26Å; L458-F678 HydrophobicContact CG-CE1 4.19Å; L458-F678 HydrophobicContact CG-CE2 4.13Å; L458-F678 HydrophobicContact CG-CG 4.35Å; L458-F678 HydrophobicContact CG-CZ 4.12Å
459	K	72.1	Confident	70.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-54.1	175.7	164.8	176.1	176.8	177.5	0	112	A455 T456 L461 L462 L463 V544 D546 C606 I607 I664	A455-K459 WeakPolarHBondContact O-CB 3.22Å; A455-K459 PolarHBondContact O-N 3.45Å; A455-K459 VanDerWaalsContact O-N 3.1Å; T456-K459 PolarHBondContact O-N 3.42Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 3.43Å; K459-L462 PolarHBondContact O-N 2.92Å; K459-L463 HydrophobicContact CD-CD1 4.19Å; K459-L463 HydrophobicContact CG-CD1 3.41Å; K459-L463 VanDerWaalsContact CG-CD1 3.41Å; K459-L463 HydrophobicContact CG-CG 4.23Å; K459-L463 WeakPolarHBondContact O-CD1 3.33Å; K459-L463 VanDerWaalsContact O-CG 3.3Å; K459-L463 WeakPolarHBondContact O-CG 3.47Å; K459-L463 PolarHBondContact O-N 2.92Å; K459-V544 HydrophobicContact CB-CG1 3.71Å; K459-V544 HydrophobicContact CD-CG1 3.38Å; K459-V544 WeakPolarHBondContact CD-O 3.11Å; K459-V544 HydrophobicContact CG-CG1 4.14Å; K459-V544 PolarHBondContact NZ-O 3.47Å; K459-D546 HydrophobicContact CB-CB 4.47Å; K459-C606 PolarHBondContact NZ-SG 3.4Å; K459-I607 HydrophobicContact CG-CD1 4.44Å; K459-I664 VanDerWaalsContact NZ-CG2 3.29Å
460	L	65.4	Low	68.9	Low	16 Å²	16	28.9 Å²	28.9	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-51.1	-52.4	-178.8	177.1	79.7	0	0	0	110.4	T456 L462 L463 L464 L665 F670 L675	T456-L460 WeakPolarHBondContact O-CB 3.48Å; T456-L460 PolarHBondContact O-N 3.46Å; L460-L462 VanDerWaalsContact C-N 3.29Å; L460-L462 PolarHBondContact O-N 3.25Å; L460-L463 PolarHBondContact O-N 2.82Å; L460-L464 VanDerWaalsContact O-CB 3.22Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 PolarHBondContact O-N 3.29Å; L460-L665 HydrophobicContact CB-CD2 4.23Å; L460-L665 HydrophobicContact CD1-CD1 3.72Å; L460-L665 HydrophobicContact CD1-CD2 3.95Å; L460-L665 HydrophobicContact CD1-CG 4.43Å; L460-F670 HydrophobicContact CB-CE1 4.31Å; L460-F670 HydrophobicContact CD1-CE1 3.8Å; L460-F670 HydrophobicContact CD1-CZ 3.82Å; L460-F670 HydrophobicContact CD2-CD1 3.41Å; L460-F670 VanDerWaalsContact CD2-CD1 3.41Å; L460-F670 HydrophobicContact CD2-CD2 4.43Å; L460-F670 HydrophobicContact CD2-CE1 3.45Å; L460-F670 VanDerWaalsContact CD2-CE1 3.45Å; L460-F670 HydrophobicContact CD2-CE2 4.47Å; L460-F670 HydrophobicContact CD2-CG 3.94Å; L460-F670 HydrophobicContact CD2-CZ 4.02Å; L460-F670 HydrophobicContact CG-CD1 4.43Å; L460-F670 HydrophobicContact CG-CE1 4.02Å; L460-F670 HydrophobicContact CG-CZ 4.47Å; L460-L675 HydrophobicContact CD2-CD1 3.96Å; L460-L675 HydrophobicContact CD2-CD2 3.76Å
461	L	64.2	Low	67.6	Low	8 Å²	8	26 Å²	26	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-34.8	-174.1	-175.7	63.6	0	0	0	112.6	H457 K459 Q465 L675 F678 K679	H457-L461 WeakPolarHBondContact O-CB 3.2Å; H457-L461 PolarHBondContact O-N 2.92Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 3.43Å; L461-Q465 HydrophobicContact CD1-CB 3.96Å; L461-Q465 WeakPolarHBondContact O-CB 3.39Å; L461-Q465 PolarHBondContact O-N 3.01Å; L461-Q465 VanDerWaalsContact O-N 3.08Å; L461-L675 HydrophobicContact CB-CD2 4.42Å; L461-F678 HydrophobicContact CD2-CB 3.44Å; L461-F678 VanDerWaalsContact CD2-CB 3.44Å; L461-F678 WeakPolarHBondContact CD2-O 3.46Å; L461-K679 HydrophobicContact CD1-CG 4.06Å; L461-K679 HydrophobicContact CD2-CG 4.17Å
462	L	59.7	Low	66.7	Low	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.144	C	C	.	.	I	π-helix	trans	-66.8	-46.4	173	179.7	55.4	0	0	0	111.3	L458 K459 L460 V466 A467 L501 F548 I607	L458-L462 PolarHBondContact O-N 2.9Å; K459-L462 PolarHBondContact O-N 2.92Å; L460-L462 VanDerWaalsContact C-N 3.29Å; L460-L462 PolarHBondContact O-N 3.25Å; L462-V466 HydrophobicContact CD1-CB 4.31Å; L462-V466 PolarHBondContact O-N 3.49Å; L462-A467 HydrophobicContact CD1-CB 4.14Å; L462-A467 HydrophobicContact CG-CB 4.38Å; L462-A467 VanDerWaalsContact O-CB 3.24Å; L462-A467 WeakPolarHBondContact O-CB 3.44Å; L462-A467 PolarHBondContact O-N 2.8Å; L462-L501 HydrophobicContact CD1-CD2 3.86Å; L462-F548 HydrophobicContact CD1-CD1 4.29Å; L462-F548 HydrophobicContact CD1-CE1 4.15Å; L462-F548 HydrophobicContact CD2-CB 3.86Å; L462-F548 HydrophobicContact CD2-CD1 3.26Å; L462-F548 HydrophobicContact CD2-CE1 3.91Å; L462-F548 HydrophobicContact CD2-CG 3.7Å; L462-F548 HydrophobicContact CG-CD1 4.44Å; L462-I607 HydrophobicContact CB-CD1 4.15Å; L462-I607 HydrophobicContact CD2-CD1 3.62Å; L462-I607 HydrophobicContact CD2-CG2 4.13Å; L462-I607 HydrophobicContact CG-CD1 3.84Å
463	L	57.8	Low	65.9	Low	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-62.2	-44.8	179.1	-66.8	158.2	0	0	0	112.9	K459 L460 I469 L470 I607 A661 L665	K459-L463 HydrophobicContact CD-CD1 4.19Å; K459-L463 HydrophobicContact CG-CD1 3.41Å; K459-L463 VanDerWaalsContact CG-CD1 3.41Å; K459-L463 HydrophobicContact CG-CG 4.23Å; K459-L463 WeakPolarHBondContact O-CD1 3.33Å; K459-L463 VanDerWaalsContact O-CG 3.3Å; K459-L463 WeakPolarHBondContact O-CG 3.47Å; K459-L463 PolarHBondContact O-N 2.92Å; L460-L463 PolarHBondContact O-N 2.82Å; L463-I469 HydrophobicContact CB-CB 4.49Å; L463-I469 HydrophobicContact CD2-CB 3.81Å; L463-I469 HydrophobicContact CD2-CD1 3.92Å; L463-I469 HydrophobicContact CD2-CG1 4.46Å; L463-I469 HydrophobicContact CD2-CG2 3.62Å; L463-I469 PolarHBondContact O-N 2.9Å; L463-L470 HydrophobicContact CB-CB 4.34Å; L463-L470 HydrophobicContact CB-CD1 4.12Å; L463-L470 HydrophobicContact CB-CG 4.47Å; L463-L470 HydrophobicContact CD1-CD1 4.06Å; L463-L470 PolarHBondContact O-N 2.88Å; L463-L470 VanDerWaalsContact O-N 3.11Å; L463-I607 HydrophobicContact CD2-CD1 3.88Å; L463-I607 HydrophobicContact CD2-CG1 3.83Å; L463-I607 HydrophobicContact CG-CD1 3.86Å; L463-I607 HydrophobicContact CG-CG1 4.35Å; L463-A661 HydrophobicContact CD1-CB 3.67Å; L463-A661 HydrophobicContact CD2-CB 3.83Å; L463-A661 HydrophobicContact CG-CB 4.41Å; L463-L665 HydrophobicContact CD1-CD1 4.04Å
464	L	59.8	Low	65.2	Low	88 Å²	88	25.9 Å²	25.9	46%	0.461	16%	0.155	S	C	.	.	I	π-helix	trans	-84.4	-51.5	-169	-178.8	62.7	0	0	0	112.8	L460	L460-L464 VanDerWaalsContact O-CB 3.22Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 PolarHBondContact O-N 3.29Å
465	Q	60.3	Low	64.5	Low	77 Å²	77	32.3 Å²	32.3	36%	0.36	19%	0.185	S	C	.	.	I	π-helix	trans	-91.7	-32.7	-171	-172.8	175	-22.6	0	0	113.3	L461	L461-Q465 HydrophobicContact CD1-CB 3.96Å; L461-Q465 WeakPolarHBondContact O-CB 3.39Å; L461-Q465 PolarHBondContact O-N 3.01Å; L461-Q465 VanDerWaalsContact O-N 3.08Å
466	V	59.5	Low	64.2	Low	7 Å²	7	34.2 Å²	34.2	4%	0.042	20%	0.197	C	C	.	.	I	π-helix	trans	-116.7	-55.2	-165.8	-174.8	0	0	0	0	113.3	F417 L462 R468 L497 L501	F417-V466 HydrophobicContact CE1-CG2 3.83Å; F417-V466 HydrophobicContact CZ-CG1 3.94Å; F417-V466 HydrophobicContact CZ-CG2 3.96Å; L462-V466 HydrophobicContact CD1-CB 4.31Å; L462-V466 PolarHBondContact O-N 3.49Å; V466-R468 PolarHBondContact O-N 2.97Å; V466-L497 WeakPolarHBondContact O-CD1 3.27Å; V466-L501 HydrophobicContact CG1-CD2 3.89Å; V466-L501 HydrophobicContact CG1-CG 4.39Å
467	A	59.3	Low	64.2	Low	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.213	C	C	.	.	S	Bend	trans	-75.2	-9.8	-177.6	0	0	0	0	0	113.9	L462 I469 G485 L501	L462-A467 HydrophobicContact CD1-CB 4.14Å; L462-A467 HydrophobicContact CG-CB 4.38Å; L462-A467 VanDerWaalsContact O-CB 3.24Å; L462-A467 WeakPolarHBondContact O-CB 3.44Å; L462-A467 PolarHBondContact O-N 2.8Å; A467-I469 VanDerWaalsContact C-N 3.3Å; A467-I469 HydrophobicContact CB-CD1 3.63Å; A467-I469 HydrophobicContact CB-CG1 3.88Å; A467-I469 PolarHBondContact O-N 3.39Å; A467-G485 VanDerWaalsContact O-CA 3.27Å; A467-G485 WeakPolarHBondContact O-CA 3.41Å; A467-L501 HydrophobicContact CB-CD2 4.41Å
468	R	66.5	Low	63.9	Low	35 Å²	35	39 Å²	39	13%	0.132	22%	0.222	C	C	.	.			trans	50.5	47.8	-179.3	-53	-178.9	-169.4	177.4	6.4	112.3	E412 V466 V472 M480 G485	E412-R468 IonicContact OE1-CZ 3.2Å; E412-R468 IonicContact OE1-NH1 2.66Å; E412-R468 PolarHBondContact OE1-NH1 3Å; E412-R468 IonicContact OE1-NH2 3.37Å; E412-R468 PolarHBondContact OE1-NH2 3.48Å; E412-R468 IonicContact OE2-CZ 2.73Å; E412-R468 IonicContact OE2-NH1 3.78Å; E412-R468 PolarHBondContact OE2-NH1 3.13Å; E412-R468 IonicContact OE2-NH2 3.61Å; E412-R468 PolarHBondContact OE2-NH2 2.91Å; V466-R468 PolarHBondContact O-N 2.97Å; R468-V472 HydrophobicContact CB-CG2 4.21Å; R468-V472 VanDerWaalsContact O-CG2 3.23Å; R468-V472 WeakPolarHBondContact O-CG2 3.42Å; R468-M480 HydrophobicContact CB-SD 4.37Å; R468-M480 WeakPolarHBondContact CD-SD 3.47Å; R468-G485 PolarHBondContact O-N 3.03Å
469	I	58.4	Low	63.8	Low	5 Å²	5	45.4 Å²	45.4	3%	0.026	25%	0.245	C	C	.	.	S	Bend	trans	-98.8	-31.2	178.2	-63.6	170	0	0	0	110.4	L463 A467 L486 T658	L463-I469 HydrophobicContact CB-CB 4.49Å; L463-I469 HydrophobicContact CD2-CB 3.81Å; L463-I469 HydrophobicContact CD2-CD1 3.92Å; L463-I469 HydrophobicContact CD2-CG1 4.46Å; L463-I469 HydrophobicContact CD2-CG2 3.62Å; L463-I469 PolarHBondContact O-N 2.9Å; A467-I469 VanDerWaalsContact C-N 3.3Å; A467-I469 HydrophobicContact CB-CD1 3.63Å; A467-I469 HydrophobicContact CB-CG1 3.88Å; A467-I469 PolarHBondContact O-N 3.39Å; I469-L486 HydrophobicContact CD1-CD1 3.86Å; I469-L486 HydrophobicContact CD1-CD2 3.96Å; I469-L486 HydrophobicContact CD1-CG 3.7Å; I469-L486 HydrophobicContact CG1-CD1 4.17Å; I469-L486 HydrophobicContact CG1-CG 3.9Å; I469-T658 WeakPolarHBondContact CG2-OG1 3.24Å; I469-T658 WeakPolarHBondContact O-CG2 3.3Å; I469-T658 PolarHBondContact O-OG1 2.98Å; I469-T658 VanDerWaalsContact O-OG1 3.1Å
470	L	56.3	Low	64	Low	24 Å²	24	45.8 Å²	45.8	13%	0.126	25%	0.247	C	C	.	.	S	Bend	trans	-126.9	157.6	175	-78	171	0	0	0	111.4	L463 V472 T658 A661 E662 L665	L463-L470 HydrophobicContact CB-CB 4.34Å; L463-L470 HydrophobicContact CB-CD1 4.12Å; L463-L470 HydrophobicContact CB-CG 4.47Å; L463-L470 HydrophobicContact CD1-CD1 4.06Å; L463-L470 PolarHBondContact O-N 2.88Å; L463-L470 VanDerWaalsContact O-N 3.11Å; L470-V472 PolarHBondContact O-N 2.97Å; L470-T658 HydrophobicContact CD2-CG2 3.74Å; L470-T658 HydrophobicContact CG-CG2 4.45Å; L470-A661 HydrophobicContact CD1-CB 3.97Å; L470-E662 HydrophobicContact CD2-CG 3.59Å; L470-E662 WeakPolarHBondContact CD2-OE1 3.17Å; L470-L665 HydrophobicContact CD1-CD1 3.6Å
471	G	55.3	Low	64.4	Low	58 Å²	58	47.3 Å²	47.3	60%	0.598	27%	0.267	S	S	*	.	S	Bend	trans	66	17.7	177.9	0	0	0	0	0	115.2	T473	G471-T473 PolarHBondContact O-N 3.42Å
472	V	63.2	Low	65.1	Low	40 Å²	40	47.6 Å²	47.6	24%	0.242	27%	0.269	C	S	.	.			trans	-67.2	103.3	-178.7	-174.1	0	0	0	0	110	R468 L470 V476 K477 M480	R468-V472 HydrophobicContact CB-CG2 4.21Å; R468-V472 VanDerWaalsContact O-CG2 3.23Å; R468-V472 WeakPolarHBondContact O-CG2 3.42Å; L470-V472 PolarHBondContact O-N 2.97Å; V472-V476 HydrophobicContact CG1-CB 4.25Å; V472-V476 HydrophobicContact CG1-CG1 4.11Å; V472-K477 HydrophobicContact CG1-CB 4.06Å; V472-M480 HydrophobicContact CG1-CE 3.65Å
473	T	63.7	Low	65.6	Low	67 Å²	67	50.7 Å²	50.7	41%	0.411	29%	0.29	S	S	.	.			trans	-61.5	150.3	177.9	70.7	0	0	0	0	110.8	G471 Q475 V476 K477	G471-T473 PolarHBondContact O-N 3.42Å; T473-Q475 PolarHBondContact O-N 3.2Å; T473-V476 PolarHBondContact O-N 3.23Å; T473-V476 WeakPolarHBondContact OG1-CG2 3.24Å; T473-V476 PolarHBondContact OG1-N 3.28Å; T473-K477 PolarHBondContact O-N 3.35Å
474	P	64	Low	66.7	Low	83 Å²	83	50.9 Å²	50.9	54%	0.539	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-24.5	180	22.6	-33.9	0	0	0	113	G478	P474-G478 PolarHBondContact O-N 2.82Å
475	Q	66.6	Low	67.6	Low	144 Å²	144	46.7 Å²	46.7	67%	0.673	27%	0.27	S	S	*	.	H	α-helix	trans	-70	-44	172.7	-60	179.1	6.5	0	0	112.1	T473 G478 R479	T473-Q475 PolarHBondContact O-N 3.2Å; Q475-G478 PolarHBondContact O-N 3.09Å; Q475-R479 WeakPolarHBondContact O-CG 3.21Å; Q475-R479 PolarHBondContact O-N 3.34Å
476	V	71.2	Confident	68.7	Low	41 Å²	41	43.1 Å²	43.1	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-42.9	175.9	174.5	0	0	0	0	110.2	V472 T473 G478 R479 M480	V472-V476 HydrophobicContact CG1-CB 4.25Å; V472-V476 HydrophobicContact CG1-CG1 4.11Å; T473-V476 PolarHBondContact O-N 3.23Å; T473-V476 WeakPolarHBondContact OG1-CG2 3.24Å; T473-V476 PolarHBondContact OG1-N 3.28Å; V476-G478 VanDerWaalsContact C-N 3.29Å; V476-G478 PolarHBondContact O-N 3.37Å; V476-R479 PolarHBondContact O-N 2.98Å; V476-R479 VanDerWaalsContact O-N 3.09Å; V476-M480 HydrophobicContact CG1-CE 4Å; V476-M480 HydrophobicContact CG1-CG 4.15Å; V476-M480 HydrophobicContact CG1-SD 3.81Å; V476-M480 VanDerWaalsContact O-CG 3.28Å; V476-M480 WeakPolarHBondContact O-CG 3.42Å; V476-M480 PolarHBondContact O-N 3.46Å
477	K	72.9	Confident	69.9	Low	98 Å²	98	45.9 Å²	45.9	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-53.5	-46.2	171.8	-165.5	176.1	-178.7	179.4	0	111.4	V472 T473 R479 M480 G481 C483	V472-K477 HydrophobicContact CG1-CB 4.06Å; T473-K477 PolarHBondContact O-N 3.35Å; K477-R479 PolarHBondContact O-N 2.78Å; K477-M480 PolarHBondContact O-N 3.2Å; K477-G481 PolarHBondContact O-N 3.46Å; K477-C483 WeakPolarHBondContact CE-SG 3.32Å
478	G	72.1	Confident	71.2	Confident	18 Å²	18	46.2 Å²	46.2	19%	0.186	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-32.5	175.9	0	0	0	0	0	115.1	P474 Q475 V476	P474-G478 PolarHBondContact O-N 2.82Å; Q475-G478 PolarHBondContact O-N 3.09Å; V476-G478 VanDerWaalsContact C-N 3.29Å; V476-G478 PolarHBondContact O-N 3.37Å
479	R	72.6	Confident	72.1	Confident	141 Å²	141	44.6 Å²	44.6	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-74.3	-38	174.5	-72.4	175.5	-173	-172.3	3.7	112.8	P409 V410 Q475 V476 K477	P409-R479 WeakPolarHBondContact CA-O 3.41Å; V410-R479 HydrophobicContact CG2-CB 4.43Å; V410-R479 HydrophobicContact CG2-CG 4.34Å; V410-R479 PolarHBondContact N-O 3.18Å; Q475-R479 WeakPolarHBondContact O-CG 3.21Å; Q475-R479 PolarHBondContact O-N 3.34Å; V476-R479 PolarHBondContact O-N 2.98Å; V476-R479 VanDerWaalsContact O-N 3.09Å; K477-R479 PolarHBondContact O-N 2.78Å
480	M	74.8	Confident	73.5	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-76.5	-30.8	-179.5	-63.1	-174.2	-46.5	0	0	112.5	R468 V472 V476 K477 V482 L488	R468-M480 HydrophobicContact CB-SD 4.37Å; R468-M480 WeakPolarHBondContact CD-SD 3.47Å; V472-M480 HydrophobicContact CG1-CE 3.65Å; V476-M480 HydrophobicContact CG1-CE 4Å; V476-M480 HydrophobicContact CG1-CG 4.15Å; V476-M480 HydrophobicContact CG1-SD 3.81Å; V476-M480 VanDerWaalsContact O-CG 3.28Å; V476-M480 WeakPolarHBondContact O-CG 3.42Å; V476-M480 PolarHBondContact O-N 3.46Å; K477-M480 PolarHBondContact O-N 3.2Å; M480-V482 HydrophobicContact CB-CG2 3.86Å; M480-V482 PolarHBondContact O-N 3.35Å; M480-L488 HydrophobicContact CB-CD2 4.15Å; M480-L488 HydrophobicContact CG-CD2 3.74Å; M480-L488 HydrophobicContact SD-CD2 3.67Å
481	G	73.3	Confident	75	Confident	49 Å²	49	48.4 Å²	48.4	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	74	4.9	-175.8	0	0	0	0	0	114.9	K477	K477-G481 PolarHBondContact O-N 3.46Å
482	V	79.1	Confident	76.3	Confident	13 Å²	13	50.3 Å²	50.3	8%	0.079	29%	0.285	C	S	.	.	S	Bend	trans	-134.9	161.1	-175.2	-71.7	0	0	0	0	111	M480 E487 L488 L491	M480-V482 HydrophobicContact CB-CG2 3.86Å; M480-V482 PolarHBondContact O-N 3.35Å; V482-E487 HydrophobicContact CB-CB 4.28Å; V482-E487 HydrophobicContact CB-CG 4.11Å; V482-E487 WeakPolarHBondContact CB-OE2 3.22Å; V482-E487 HydrophobicContact CG1-CG 3.97Å; V482-E487 WeakPolarHBondContact CG1-OE1 3.48Å; V482-L488 HydrophobicContact CG2-CB 3.79Å; V482-L488 HydrophobicContact CG2-CD1 4.24Å; V482-L488 HydrophobicContact CG2-CG 4.5Å; V482-L491 HydrophobicContact CG1-CD1 3.66Å
483	C	71.1	Confident	77.2	Confident	66 Å²	66	52 Å²	52	45%	0.446	29%	0.29	S	S	.	.	S	Bend	trans	-82.8	-21.3	-172.1	-73.7	0	0	0	0	114.3	K477 E487	K477-C483 WeakPolarHBondContact CE-SG 3.32Å; C483-E487 PolarHBondContact N-OE2 2.8Å
484	S	79.9	Confident	78.1	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.028	27%	0.271	C	S	.	.			trans	-145.7	149.3	-177.6	178.5	0	0	0	0	111.5	L486 E487 L488	S484-L486 PolarHBondContact O-N 2.95Å; S484-L486 PolarHBondContact OG-N 3.32Å; S484-E487 WeakPolarHBondContact O-CB 3.34Å; S484-E487 PolarHBondContact O-N 3.43Å; S484-L488 PolarHBondContact O-N 3.35Å
485	G	79.9	Confident	79.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-21.7	172.9	0	0	0	0	0	114	A467 R468 E487 L488 V489 L497	A467-G485 VanDerWaalsContact O-CA 3.27Å; A467-G485 WeakPolarHBondContact O-CA 3.41Å; R468-G485 PolarHBondContact O-N 3.03Å; G485-E487 VanDerWaalsContact C-N 3.33Å; G485-L488 PolarHBondContact O-N 2.95Å; G485-V489 WeakPolarHBondContact O-CG2 3.34Å; G485-V489 PolarHBondContact O-N 3.22Å; G485-L497 WeakPolarHBondContact O-CD2 3.32Å
486	L	82.5	Confident	79.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-41.2	171.2	-72.1	172.8	0	0	0	112	I469 S484 P608 L610 V650 A654 Y657	I469-L486 HydrophobicContact CD1-CD1 3.86Å; I469-L486 HydrophobicContact CD1-CD2 3.96Å; I469-L486 HydrophobicContact CD1-CG 3.7Å; I469-L486 HydrophobicContact CG1-CD1 4.17Å; I469-L486 HydrophobicContact CG1-CG 3.9Å; S484-L486 PolarHBondContact O-N 2.95Å; S484-L486 PolarHBondContact OG-N 3.32Å; L486-P608 HydrophobicContact CD2-CG 3.97Å; L486-L610 HydrophobicContact CD2-CD1 4.11Å; L486-L610 HydrophobicContact CD2-CD2 4.08Å; L486-V650 HydrophobicContact CB-CG1 4.21Å; L486-V650 HydrophobicContact CD1-CG1 4.45Å; L486-V650 HydrophobicContact CD2-CG1 4.11Å; L486-V650 HydrophobicContact CG-CG1 4.49Å; L486-A654 HydrophobicContact CB-CB 4.38Å; L486-Y657 HydrophobicContact CD1-CD2 3.83Å; L486-Y657 HydrophobicContact CD1-CG 3.96Å
487	E	86.1	Confident	80.5	Confident	64 Å²	64	43.9 Å²	43.9	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-48.4	174.5	-168.1	-175.8	171	0	0	109.6	V482 C483 S484 G485 V489 T490	V482-E487 HydrophobicContact CB-CB 4.28Å; V482-E487 HydrophobicContact CB-CG 4.11Å; V482-E487 WeakPolarHBondContact CB-OE2 3.22Å; V482-E487 HydrophobicContact CG1-CG 3.97Å; V482-E487 WeakPolarHBondContact CG1-OE1 3.48Å; C483-E487 PolarHBondContact N-OE2 2.8Å; S484-E487 WeakPolarHBondContact O-CB 3.34Å; S484-E487 PolarHBondContact O-N 3.43Å; G485-E487 VanDerWaalsContact C-N 3.33Å; E487-V489 VanDerWaalsContact C-N 3.31Å; E487-V489 PolarHBondContact O-N 2.89Å; E487-T490 PolarHBondContact O-N 3.44Å; E487-T490 PolarHBondContact O-OG1 2.7Å
488	L	85.2	Confident	81.2	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-56.1	-40.3	179.1	-174.1	58.2	0	0	0	113.1	M480 V482 S484 G485 T490 L491 G494 L497	M480-L488 HydrophobicContact CB-CD2 4.15Å; M480-L488 HydrophobicContact CG-CD2 3.74Å; M480-L488 HydrophobicContact SD-CD2 3.67Å; V482-L488 HydrophobicContact CG2-CB 3.79Å; V482-L488 HydrophobicContact CG2-CD1 4.24Å; V482-L488 HydrophobicContact CG2-CG 4.5Å; S484-L488 PolarHBondContact O-N 3.35Å; G485-L488 PolarHBondContact O-N 2.95Å; L488-T490 PolarHBondContact O-N 2.81Å; L488-L491 PolarHBondContact O-N 2.91Å; L488-G494 WeakPolarHBondContact O-CA 3.23Å; L488-L497 HydrophobicContact CB-CD2 4.19Å; L488-L497 HydrophobicContact CD2-CD2 3.96Å; L488-L497 HydrophobicContact CG-CD2 4.24Å
489	V	86.6	Confident	81.8	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-55.2	-33.7	177.9	158.9	0	0	0	0	112.4	G485 E487 L497 R498 L501 L610 L613 L614	G485-V489 WeakPolarHBondContact O-CG2 3.34Å; G485-V489 PolarHBondContact O-N 3.22Å; E487-V489 VanDerWaalsContact C-N 3.31Å; E487-V489 PolarHBondContact O-N 2.89Å; V489-L497 HydrophobicContact CG2-CD2 3.77Å; V489-L497 HydrophobicContact CG2-CG 3.81Å; V489-R498 HydrophobicContact CG1-CG 4.26Å; V489-R498 WeakPolarHBondContact O-CD 3.47Å; V489-R498 PolarHBondContact O-NH1 3.12Å; V489-L501 HydrophobicContact CG2-CD1 3.63Å; V489-L610 HydrophobicContact CG1-CD2 4.49Å; V489-L613 HydrophobicContact CG1-CD2 3.98Å; V489-L614 HydrophobicContact CG1-CD2 3.79Å
490	T	86.6	Confident	82.3	Confident	41 Å²	41	34.3 Å²	34.3	25%	0.252	19%	0.19	S	C	.	.	H	α-helix	trans	-77.8	-20.6	178.4	71	0	0	0	0	113.7	E487 L488 L613 M617 A647 A651	E487-T490 PolarHBondContact O-N 3.44Å; E487-T490 PolarHBondContact O-OG1 2.7Å; L488-T490 PolarHBondContact O-N 2.81Å; T490-L613 HydrophobicContact CG2-CD2 4.47Å; T490-M617 WeakPolarHBondContact O-CE 3.42Å; T490-A647 HydrophobicContact CG2-CB 4.49Å; T490-A651 HydrophobicContact CG2-CB 4.03Å
491	L	87.6	Confident	82.8	Confident	67 Å²	67	34 Å²	34	35%	0.351	19%	0.189	S	C	.	.	S	Bend	trans	-87.3	149.5	-175.3	-61.2	-179.3	0	0	0	111.9	V482 L488 H493 G494 R498	V482-L491 HydrophobicContact CG1-CD1 3.66Å; L488-L491 PolarHBondContact O-N 2.91Å; L491-H493 PolarHBondContact O-N 3.41Å; L491-H493 VanDerWaalsContact O-N 3.08Å; L491-G494 PolarHBondContact O-N 3.31Å; L491-R498 PolarHBondContact O-NH1 2.87Å
492	P	82.4	Confident	83.4	Confident	99 Å²	99	32.9 Å²	32.9	64%	0.643	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-53.8	-34.6	177.2	-27.9	35.3	0	0	0	113.6	G494 R495 R498	P492-G494 VanDerWaalsContact C-N 3.32Å; P492-G494 PolarHBondContact O-N 2.91Å; P492-R495 PolarHBondContact O-N 2.68Å; P492-R498 PolarHBondContact O-NH2 3.03Å
493	H	82.9	Confident	83.6	Confident	76 Å²	76	32.8 Å²	32.8	35%	0.352	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-70.9	-23.5	-178.3	-65.9	62.8	0	0	0	113.1	L411 L491 R495	L411-H493 HydrophobicContact CD2-CB 3.93Å; L411-H493 WeakPolarHBondContact CD2-CD2 3.4Å; L491-H493 PolarHBondContact O-N 3.41Å; L491-H493 VanDerWaalsContact O-N 3.08Å; H493-R495 PolarHBondContact O-N 2.84Å; H493-R495 VanDerWaalsContact O-N 3.08Å
494	G	83.1	Confident	84.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-74.9	13	176.4	0	0	0	0	0	115.4	L488 L491 P492 Q496 L497 R498	L488-G494 WeakPolarHBondContact O-CA 3.23Å; L491-G494 PolarHBondContact O-N 3.31Å; P492-G494 VanDerWaalsContact C-N 3.32Å; P492-G494 PolarHBondContact O-N 2.91Å; G494-Q496 VanDerWaalsContact C-N 3.29Å; G494-Q496 PolarHBondContact O-N 3.19Å; G494-L497 WeakPolarHBondContact O-CB 3.35Å; G494-L497 PolarHBondContact O-N 2.98Å; G494-L497 VanDerWaalsContact O-N 3.14Å; G494-R498 PolarHBondContact O-N 2.72Å
495	R	83.9	Confident	84.7	Confident	140 Å²	140	29.5 Å²	29.5	53%	0.528	15%	0.147	S	C	.	.	H	α-helix	trans	-49.3	-46.5	-179.3	176.9	156.7	-156	-107.2	-12.7	113.3	P492 H493 R498 L499 E618	P492-R495 PolarHBondContact O-N 2.68Å; H493-R495 PolarHBondContact O-N 2.84Å; H493-R495 VanDerWaalsContact O-N 3.08Å; R495-R498 VanDerWaalsContact CA-NH2 3.34Å; R495-R498 WeakPolarHBondContact O-CB 3.37Å; R495-R498 PolarHBondContact O-N 2.88Å; R495-L499 HydrophobicContact CG-CD1 4.47Å; R495-L499 WeakPolarHBondContact O-CG 3.28Å; R495-L499 PolarHBondContact O-N 3.33Å; R495-L499 VanDerWaalsContact O-N 3.11Å; R495-E618 WeakPolarHBondContact CG-OE1 3.37Å; R495-E618 IonicContact CZ-OE2 3.22Å; R495-E618 IonicContact NE-OE1 3.41Å; R495-E618 IonicContact NE-OE2 2.71Å; R495-E618 PolarHBondContact NE-OE2 3Å; R495-E618 IonicContact NH2-OE2 2.64Å; R495-E618 PolarHBondContact NH2-OE2 3.18Å; R495-E618 VanDerWaalsContact NH2-OE2 3.09Å
496	Q	84.6	Confident	85	Confident	20 Å²	20	30.1 Å²	30.1	9%	0.093	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-43.9	-179.2	-169.4	56.8	60.6	0	0	112.2	E412 E414 S415 G494 R498 L499 D500	E412-Q496 HydrophobicContact CB-CB 3.94Å; E412-Q496 HydrophobicContact CB-CG 4.32Å; E414-Q496 WeakPolarHBondContact O-CG 3.49Å; S415-Q496 VanDerWaalsContact CA-NE2 3.35Å; G494-Q496 VanDerWaalsContact C-N 3.29Å; G494-Q496 PolarHBondContact O-N 3.19Å; Q496-R498 PolarHBondContact O-N 3.47Å; Q496-L499 PolarHBondContact O-N 3.44Å; Q496-L499 VanDerWaalsContact O-N 3.11Å; Q496-D500 PolarHBondContact NE2-OD1 3.45Å; Q496-D500 VanDerWaalsContact O-CG 3.26Å; Q496-D500 PolarHBondContact O-N 3.04Å
497	L	83.7	Confident	85.2	Confident	3 Å²	3	30 Å²	30	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-35.3	174.2	177.4	57	0	0	0	111.9	V466 G485 L488 V489 G494 L501	V466-L497 WeakPolarHBondContact O-CD1 3.27Å; G485-L497 WeakPolarHBondContact O-CD2 3.32Å; L488-L497 HydrophobicContact CB-CD2 4.19Å; L488-L497 HydrophobicContact CD2-CD2 3.96Å; L488-L497 HydrophobicContact CG-CD2 4.24Å; V489-L497 HydrophobicContact CG2-CD2 3.77Å; V489-L497 HydrophobicContact CG2-CG 3.81Å; G494-L497 WeakPolarHBondContact O-CB 3.35Å; G494-L497 PolarHBondContact O-N 2.98Å; G494-L497 VanDerWaalsContact O-N 3.14Å; L497-L501 HydrophobicContact CD1-CD1 4Å; L497-L501 HydrophobicContact CD1-CG 4.08Å; L497-L501 HydrophobicContact CG-CD1 4.06Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 WeakPolarHBondContact O-CD1 3.38Å; L497-L501 VanDerWaalsContact O-CG 3.25Å; L497-L501 WeakPolarHBondContact O-CG 3.24Å; L497-L501 PolarHBondContact O-N 3.38Å
498	R	86.9	Confident	85.3	Confident	9 Å²	9	27.2 Å²	27.2	3%	0.034	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-44.8	173.2	-67	-164.8	-74.3	-80.7	-4.1	112.6	V489 L491 P492 G494 R495 Q496 M502 L614 E618	V489-R498 HydrophobicContact CG1-CG 4.26Å; V489-R498 WeakPolarHBondContact O-CD 3.47Å; V489-R498 PolarHBondContact O-NH1 3.12Å; L491-R498 PolarHBondContact O-NH1 2.87Å; P492-R498 PolarHBondContact O-NH2 3.03Å; G494-R498 PolarHBondContact O-N 2.72Å; R495-R498 VanDerWaalsContact CA-NH2 3.34Å; R495-R498 WeakPolarHBondContact O-CB 3.37Å; R495-R498 PolarHBondContact O-N 2.88Å; Q496-R498 PolarHBondContact O-N 3.47Å; R498-M502 WeakPolarHBondContact O-CG 3.43Å; R498-M502 PolarHBondContact O-N 3.48Å; R498-M502 VanDerWaalsContact O-N 3.08Å; R498-L614 HydrophobicContact CB-CD2 3.72Å; R498-L614 HydrophobicContact CG-CD2 3.51Å; R498-E618 HydrophobicContact CB-CG 3.82Å; R498-E618 IonicContact CZ-OE1 2.76Å; R498-E618 VanDerWaalsContact CZ-OE1 3.22Å; R498-E618 IonicContact NE-OE1 2.73Å; R498-E618 PolarHBondContact NE-OE1 3.49Å; R498-E618 IonicContact NH2-OE1 3.54Å; R498-E618 PolarHBondContact NH2-OE1 2.93Å
499	L	84.3	Confident	85.6	Confident	42 Å²	42	26.8 Å²	26.8	22%	0.22	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-44.5	177.3	-63.7	173.3	0	0	0	111.6	R495 Q496 M502 E503 E618	R495-L499 HydrophobicContact CG-CD1 4.47Å; R495-L499 WeakPolarHBondContact O-CG 3.28Å; R495-L499 PolarHBondContact O-N 3.33Å; R495-L499 VanDerWaalsContact O-N 3.11Å; Q496-L499 PolarHBondContact O-N 3.44Å; Q496-L499 VanDerWaalsContact O-N 3.11Å; L499-M502 HydrophobicContact CD2-CE 3.86Å; L499-M502 PolarHBondContact O-N 3.27Å; L499-E503 PolarHBondContact O-N 3.12Å; L499-E618 HydrophobicContact CD2-CG 4.38Å
500	D	84.2	Confident	85.7	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-39.6	179.7	-66.2	-6	0	0	0	111.4	S415 A416 F417 Q496 E503 R504	S415-D500 WeakPolarHBondContact CB-OD1 3.32Å; S415-D500 VanDerWaalsContact OG-CG 3.31Å; S415-D500 PolarHBondContact OG-OD1 2.73Å; A416-D500 WeakPolarHBondContact CB-OD2 3.31Å; A416-D500 PolarHBondContact N-OD2 2.91Å; F417-D500 HydrophobicContact CD2-CB 4.36Å; F417-D500 HydrophobicContact CE2-CB 3.72Å; F417-D500 VanDerWaalsContact CE2-O 3.28Å; F417-D500 WeakPolarHBondContact CE2-O 3.27Å; F417-D500 HydrophobicContact CZ-CB 4.16Å; Q496-D500 PolarHBondContact NE2-OD1 3.45Å; Q496-D500 VanDerWaalsContact O-CG 3.26Å; Q496-D500 PolarHBondContact O-N 3.04Å; D500-E503 PolarHBondContact O-N 3.2Å; D500-R504 WeakPolarHBondContact O-CB 3.21Å; D500-R504 PolarHBondContact O-N 3.5Å
501	L	85.6	Confident	85.8	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-41.6	172.6	-75.4	166.6	0	0	0	112.2	L462 V466 A467 V489 L497 R504 H505 F548 L610 L614	L462-L501 HydrophobicContact CD1-CD2 3.86Å; V466-L501 HydrophobicContact CG1-CD2 3.89Å; V466-L501 HydrophobicContact CG1-CG 4.39Å; A467-L501 HydrophobicContact CB-CD2 4.41Å; V489-L501 HydrophobicContact CG2-CD1 3.63Å; L497-L501 HydrophobicContact CD1-CD1 4Å; L497-L501 HydrophobicContact CD1-CG 4.08Å; L497-L501 HydrophobicContact CG-CD1 4.06Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 WeakPolarHBondContact O-CD1 3.38Å; L497-L501 VanDerWaalsContact O-CG 3.25Å; L497-L501 WeakPolarHBondContact O-CG 3.24Å; L497-L501 PolarHBondContact O-N 3.38Å; L501-R504 PolarHBondContact O-N 2.96Å; L501-H505 PolarHBondContact O-N 2.86Å; L501-F548 HydrophobicContact CB-CE2 4.31Å; L501-F548 HydrophobicContact CD2-CE2 4.15Å; L501-F548 HydrophobicContact CD2-CZ 4.24Å; L501-F548 WeakPolarHBondContact O-CZ 3.21Å; L501-L610 HydrophobicContact CD1-CD1 3.97Å; L501-L614 HydrophobicContact CB-CD1 3.6Å; L501-L614 HydrophobicContact CD1-CD1 4.37Å; L501-L614 HydrophobicContact CD1-CD2 4.41Å
502	M	84.3	Confident	85.9	Confident	26 Å²	26	23.8 Å²	23.8	13%	0.128	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-40.2	176.1	-71.9	-168.3	-65.9	0	0	112.6	R498 L499 H505 H506 L611 L614 T615 E618 P620	R498-M502 WeakPolarHBondContact O-CG 3.43Å; R498-M502 PolarHBondContact O-N 3.48Å; R498-M502 VanDerWaalsContact O-N 3.08Å; L499-M502 HydrophobicContact CD2-CE 3.86Å; L499-M502 PolarHBondContact O-N 3.27Å; M502-H505 PolarHBondContact O-N 2.83Å; M502-H506 PolarHBondContact O-N 3.11Å; M502-H506 VanDerWaalsContact O-N 3.09Å; M502-L611 HydrophobicContact CG-CD1 4.23Å; M502-L614 HydrophobicContact CG-CB 3.81Å; M502-L614 HydrophobicContact CG-CD1 4.06Å; M502-L614 HydrophobicContact SD-CB 4.06Å; M502-T615 HydrophobicContact SD-CG2 3.84Å; M502-E618 HydrophobicContact CE-CB 3.72Å; M502-E618 HydrophobicContact CE-CG 4.16Å; M502-P620 HydrophobicContact SD-CG 4.3Å
503	E	84.6	Confident	86.3	Confident	11 Å²	11	19.1 Å²	19.1	5%	0.051	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-44	174.9	175.6	135.3	-135.9	0	0	111.6	F417 L499 D500 H505 T507 L684 Q697 R700	F417-E503 HydrophobicContact CD2-CG 4.33Å; F417-E503 HydrophobicContact CE2-CB 4.43Å; F417-E503 HydrophobicContact CE2-CG 4.45Å; L499-E503 PolarHBondContact O-N 3.12Å; D500-E503 PolarHBondContact O-N 3.2Å; E503-H505 PolarHBondContact O-N 3.01Å; E503-T507 WeakPolarHBondContact O-CB 3.22Å; E503-T507 PolarHBondContact O-N 3.15Å; E503-T507 PolarHBondContact O-OG1 3.25Å; E503-L684 HydrophobicContact CG-CD2 4.41Å; E503-L684 WeakPolarHBondContact OE1-CD2 3.28Å; E503-Q697 PolarHBondContact OE2-NE2 2.89Å; E503-R700 IonicContact OE1-CZ 3.19Å; E503-R700 IonicContact OE1-NH1 3.58Å; E503-R700 PolarHBondContact OE1-NH1 3.49Å; E503-R700 IonicContact OE1-NH2 3.23Å; E503-R700 PolarHBondContact OE1-NH2 3.2Å; E503-R700 IonicContact OE2-NH2 2.77Å
504	R	86.3	Confident	86.6	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.6	-43.4	174.1	178.6	167	177.3	76.2	-1.2	112.2	F417 D500 L501 M508 F548 F678 T680	F417-R504 HydrophobicContact CZ-CB 4.32Å; D500-R504 WeakPolarHBondContact O-CB 3.21Å; D500-R504 PolarHBondContact O-N 3.5Å; L501-R504 PolarHBondContact O-N 2.96Å; R504-M508 HydrophobicContact CG-CE 4.49Å; R504-M508 WeakPolarHBondContact O-CB 3.49Å; R504-M508 PolarHBondContact O-N 3.36Å; R504-F548 HydrophobicContact CG-CE1 4.46Å; R504-F678 PolarHBondContact NH1-O 3.24Å; R504-T680 HydrophobicContact CB-CG2 4.18Å; R504-T680 PolarHBondContact NH1-OG1 3.35Å
505	H	87.4	Confident	86.9	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-58.9	-52.6	179.2	-170.6	-81.5	0	0	0	111.8	L501 M502 E503 M508 A509 F548 S551 A552 L611	L501-H505 PolarHBondContact O-N 2.86Å; M502-H505 PolarHBondContact O-N 2.83Å; E503-H505 PolarHBondContact O-N 3.01Å; H505-M508 PolarHBondContact O-N 2.9Å; H505-A509 PolarHBondContact O-N 3.23Å; H505-F548 HydrophobicContact CB-CE1 4.31Å; H505-F548 HydrophobicContact CB-CE2 4.3Å; H505-F548 HydrophobicContact CB-CZ 3.74Å; H505-S551 PolarHBondContact NE2-OG 3.12Å; H505-A552 PolarHBondContact NE2-N 3Å; H505-L611 HydrophobicContact CB-CD1 4.28Å
506	H	85.9	Confident	87.1	Confident	15 Å²	15	10.6 Å²	10.6	7%	0.069	6%	0.06	C	C	.	.	H	α-helix	trans	-73.5	-36.5	-175.8	-164.9	50.6	0	0	0	112.5	M502 A509 I510 Y701	M502-H506 PolarHBondContact O-N 3.11Å; M502-H506 VanDerWaalsContact O-N 3.09Å; H506-A509 PolarHBondContact O-N 2.87Å; H506-I510 WeakPolarHBondContact O-CG1 3.32Å; H506-I510 PolarHBondContact O-N 3.24Å; H506-Y701 AromaticContact CD2-CD1 3.55Å; H506-Y701 AromaticContact CD2-CD2 3.45Å; H506-Y701 VanDerWaalsContact CD2-CD2 3.45Å; H506-Y701 WeakPolarHBondContact CD2-CD2 3.32Å; H506-Y701 AromaticContact CD2-CE1 3.67Å; H506-Y701 AromaticContact CD2-CE2 3.56Å; H506-Y701 AromaticContact CD2-CG 3.46Å; H506-Y701 VanDerWaalsContact CD2-CG 3.46Å; H506-Y701 AromaticContact CD2-CZ 3.67Å; H506-Y701 AromaticContact NE2-CD1 3.95Å; H506-Y701 AromaticContact NE2-CD2 3.8Å; H506-Y701 AromaticContact NE2-CG 3.58Å
507	T	87.4	Confident	87.2	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-42.8	174	-62	0	0	0	0	111.4	E503 I510 G511 T680 Q683 L684 L687 W688	E503-T507 WeakPolarHBondContact O-CB 3.22Å; E503-T507 PolarHBondContact O-N 3.15Å; E503-T507 PolarHBondContact O-OG1 3.25Å; T507-I510 PolarHBondContact O-N 3.46Å; T507-G511 PolarHBondContact O-N 3.11Å; T507-T680 HydrophobicContact CG2-CG2 4.43Å; T507-Q683 HydrophobicContact CG2-CB 3.51Å; T507-L684 HydrophobicContact CG2-CG 4.42Å; T507-L687 HydrophobicContact CG2-CD1 4.08Å; T507-W688 HydrophobicContact CG2-CZ3 4.15Å
508	M	89	Confident	87.2	Confident	5 Å²	5	11.5 Å²	11.5	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-63	-44.5	174.6	-175.5	-176.6	-64	0	0	111.6	L458 R504 H505 G511 V512 A549 A552 L553	L458-M508 HydrophobicContact CD2-CE 3.9Å; L458-M508 HydrophobicContact CD2-SD 4.25Å; R504-M508 HydrophobicContact CG-CE 4.49Å; R504-M508 WeakPolarHBondContact O-CB 3.49Å; R504-M508 PolarHBondContact O-N 3.36Å; H505-M508 PolarHBondContact O-N 2.9Å; M508-G511 PolarHBondContact O-N 3.27Å; M508-V512 WeakPolarHBondContact O-CG2 3.49Å; M508-V512 PolarHBondContact O-N 2.82Å; M508-A549 HydrophobicContact SD-CB 4.23Å; M508-A552 HydrophobicContact CB-CB 4.33Å; M508-A552 HydrophobicContact CG-CB 4.2Å; M508-A552 HydrophobicContact SD-CB 3.81Å; M508-L553 HydrophobicContact SD-CD1 4.36Å
509	A	89.9	Confident	86.7	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.7	-42.6	177.7	0	0	0	0	0	112.4	H505 H506 V512 A513 A552 A556 M559	H505-A509 PolarHBondContact O-N 3.23Å; H506-A509 PolarHBondContact O-N 2.87Å; A509-V512 PolarHBondContact O-N 2.72Å; A509-A513 PolarHBondContact O-N 3.14Å; A509-A552 WeakPolarHBondContact CB-O 3.44Å; A509-A556 HydrophobicContact CB-CB 4.23Å; A509-A556 WeakPolarHBondContact O-CB 3.49Å; A509-M559 HydrophobicContact CB-CE 4.07Å
510	I	89.2	Confident	86	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-41.2	172.6	-68.8	171.4	0	0	0	110.8	H506 T507 V512 A513 V514 M559 L687 W688 Y701 F704	H506-I510 WeakPolarHBondContact O-CG1 3.32Å; H506-I510 PolarHBondContact O-N 3.24Å; T507-I510 PolarHBondContact O-N 3.46Å; I510-V512 PolarHBondContact O-N 3.12Å; I510-A513 WeakPolarHBondContact O-CB 3.42Å; I510-A513 PolarHBondContact O-N 3.2Å; I510-V514 HydrophobicContact CG2-CG2 4.21Å; I510-V514 WeakPolarHBondContact O-CB 3.46Å; I510-V514 WeakPolarHBondContact O-CG2 3.47Å; I510-V514 PolarHBondContact O-N 2.68Å; I510-M559 HydrophobicContact CG1-CE 4.38Å; I510-L687 HydrophobicContact CB-CD1 4.29Å; I510-L687 HydrophobicContact CG2-CD1 3.78Å; I510-L687 HydrophobicContact CG2-CD2 4Å; I510-W688 HydrophobicContact CD1-CH2 4.07Å; I510-W688 HydrophobicContact CD1-CZ2 3.98Å; I510-Y701 HydrophobicContact CD1-CD1 4.06Å; I510-F704 HydrophobicContact CD1-CB 4.45Å; I510-F704 HydrophobicContact CG2-CD1 3.54Å; I510-F704 HydrophobicContact CG2-CE1 4.06Å; I510-F704 HydrophobicContact CG2-CG 4.29Å
511	G	88.7	Confident	85.5	Confident	24 Å²	24	15.9 Å²	15.9	25%	0.247	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-45.8	176.9	0	0	0	0	0	113	T507 M508 V514 D515	T507-G511 PolarHBondContact O-N 3.11Å; M508-G511 PolarHBondContact O-N 3.27Å; G511-V514 PolarHBondContact O-N 3.22Å; G511-D515 PolarHBondContact O-N 3.15Å
512	V	89.8	Confident	85.4	Confident	23 Å²	23	19 Å²	19	14%	0.139	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.6	173.6	0	0	0	0	111.3	M508 A509 I510 V514 D515 I516 I533 L553 A556	M508-V512 WeakPolarHBondContact O-CG2 3.49Å; M508-V512 PolarHBondContact O-N 2.82Å; A509-V512 PolarHBondContact O-N 2.72Å; I510-V512 PolarHBondContact O-N 3.12Å; V512-V514 VanDerWaalsContact C-N 3.33Å; V512-V514 PolarHBondContact O-N 3.36Å; V512-D515 PolarHBondContact O-N 2.91Å; V512-I516 HydrophobicContact CG1-CD1 4.31Å; V512-I516 PolarHBondContact O-N 3.31Å; V512-I533 HydrophobicContact CG1-CD1 4.03Å; V512-I533 HydrophobicContact CG1-CG1 4.42Å; V512-I533 HydrophobicContact CG1-CG2 3.71Å; V512-L553 HydrophobicContact CG2-CD1 4.22Å; V512-L553 HydrophobicContact CG2-CG 4.25Å; V512-A556 HydrophobicContact CB-CB 3.81Å; V512-A556 HydrophobicContact CG1-CB 3.69Å
513	A	90.2	Very high	85.6	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-35.6	175.1	0	0	0	0	0	113.1	A509 I510 L517 M559 I562 L708	A509-A513 PolarHBondContact O-N 3.14Å; I510-A513 WeakPolarHBondContact O-CB 3.42Å; I510-A513 PolarHBondContact O-N 3.2Å; A513-L517 VanDerWaalsContact O-CB 3.29Å; A513-L517 WeakPolarHBondContact O-CB 3.46Å; A513-L517 VanDerWaalsContact O-CG 3.32Å; A513-L517 WeakPolarHBondContact O-CG 3.42Å; A513-L517 PolarHBondContact O-N 2.7Å; A513-M559 HydrophobicContact CB-SD 3.71Å; A513-I562 HydrophobicContact CB-CD1 3.75Å; A513-L708 HydrophobicContact CB-CD1 4.43Å; A513-L708 HydrophobicContact CB-CD2 4.07Å
514	V	90.1	Very high	85.7	Confident	9 Å²	9	24.8 Å²	24.8	6%	0.055	16%	0.159	C	C	.	.	H	α-helix	trans	-71.9	-31.7	175.7	168.4	0	0	0	0	112.4	L434 L439 I510 G511 V512 G518 L687 F704 L708	L434-V514 HydrophobicContact CD2-CG1 3.8Å; L434-V514 HydrophobicContact CD2-CG2 4.42Å; L439-V514 HydrophobicContact CD2-CG1 4.08Å; I510-V514 HydrophobicContact CG2-CG2 4.21Å; I510-V514 WeakPolarHBondContact O-CB 3.46Å; I510-V514 WeakPolarHBondContact O-CG2 3.47Å; I510-V514 PolarHBondContact O-N 2.68Å; G511-V514 PolarHBondContact O-N 3.22Å; V512-V514 VanDerWaalsContact C-N 3.33Å; V512-V514 PolarHBondContact O-N 3.36Å; V514-G518 WeakPolarHBondContact O-CA 3.32Å; V514-G518 PolarHBondContact O-N 3.05Å; V514-L687 HydrophobicContact CB-CD2 4.2Å; V514-L687 HydrophobicContact CG1-CD2 4.31Å; V514-L687 HydrophobicContact CG2-CD2 3.73Å; V514-F704 HydrophobicContact CG2-CD1 4.44Å; V514-F704 HydrophobicContact CG2-CE1 3.93Å; V514-L708 HydrophobicContact CG2-CD2 3.82Å
515	D	88.1	Confident	85.7	Confident	30 Å²	30	29.3 Å²	29.3	16%	0.16	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-48.8	171.9	-172	40.4	0	0	0	110.7	G511 V512 L517 G518 C519 T529	G511-D515 PolarHBondContact O-N 3.15Å; V512-D515 PolarHBondContact O-N 2.91Å; D515-L517 PolarHBondContact O-N 3.15Å; D515-G518 PolarHBondContact O-N 2.89Å; D515-C519 PolarHBondContact O-N 3.44Å; D515-C519 PolarHBondContact O-SG 2.91Å; D515-T529 WeakPolarHBondContact OD2-CG2 3.38Å
516	I	88.6	Confident	85.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-47.3	177.7	-64.7	165.3	0	0	0	111.6	V512 C519 L530 I533 L557 I562 L565	V512-I516 HydrophobicContact CG1-CD1 4.31Å; V512-I516 PolarHBondContact O-N 3.31Å; I516-C519 WeakPolarHBondContact O-CB 3.34Å; I516-C519 PolarHBondContact O-N 2.79Å; I516-L530 HydrophobicContact CD1-CD1 3.97Å; I516-I533 HydrophobicContact CD1-CD1 3.63Å; I516-I533 HydrophobicContact CG1-CD1 3.42Å; I516-I533 VanDerWaalsContact CG1-CD1 3.42Å; I516-L557 HydrophobicContact CD1-CD2 4.05Å; I516-I562 HydrophobicContact CB-CD1 4.34Å; I516-I562 HydrophobicContact CD1-CD1 3.71Å; I516-I562 HydrophobicContact CD1-CG2 4.25Å; I516-I562 HydrophobicContact CG2-CG2 4.19Å; I516-L565 HydrophobicContact CG2-CD1 4.35Å
517	L	87.4	Confident	86	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-81.9	-16.4	-178.8	-63.8	178.4	0	0	0	113.6	A513 D515 C519 Q561 L565 L708 L711 L715	A513-L517 VanDerWaalsContact O-CB 3.29Å; A513-L517 WeakPolarHBondContact O-CB 3.46Å; A513-L517 VanDerWaalsContact O-CG 3.32Å; A513-L517 WeakPolarHBondContact O-CG 3.42Å; A513-L517 PolarHBondContact O-N 2.7Å; D515-L517 PolarHBondContact O-N 3.15Å; L517-C519 VanDerWaalsContact C-N 3.32Å; L517-Q561 HydrophobicContact CD1-CB 4.33Å; L517-L565 HydrophobicContact CD2-CD1 3.9Å; L517-L708 HydrophobicContact CD1-CB 4.05Å; L517-L708 HydrophobicContact CD1-CD2 3.84Å; L517-L711 HydrophobicContact CB-CB 4.2Å; L517-L715 HydrophobicContact CB-CD1 4.49Å; L517-L715 HydrophobicContact CD2-CD1 3.92Å
518	G	82.5	Confident	86.1	Confident	39 Å²	39	31.3 Å²	31.3	40%	0.402	19%	0.194	S	C	.	.	H	α-helix	trans	-80.8	-10.8	171.9	0	0	0	0	0	113.4	V514 D515 T520	V514-G518 WeakPolarHBondContact O-CA 3.32Å; V514-G518 PolarHBondContact O-N 3.05Å; D515-G518 PolarHBondContact O-N 2.89Å; G518-T520 PolarHBondContact O-N 2.99Å
519	C	77.9	Confident	86.1	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.014	20%	0.196	C	C	.	.			trans	-68.7	73.3	170.8	-68.6	0	0	0	0	112.2	K443 D515 I516 L517 G521 R526	K443-C519 PolarHBondContact NZ-SG 3Å; D515-C519 PolarHBondContact O-N 3.44Å; D515-C519 PolarHBondContact O-SG 2.91Å; I516-C519 WeakPolarHBondContact O-CB 3.34Å; I516-C519 PolarHBondContact O-N 2.79Å; L517-C519 VanDerWaalsContact C-N 3.32Å; C519-G521 PolarHBondContact O-N 2.76Å; C519-G521 VanDerWaalsContact O-N 3.16Å; C519-R526 HydrophobicContact CB-CB 4.01Å; C519-R526 HydrophobicContact CB-CG 3.92Å
520	T	69.4	Low	86.2	Confident	108 Å²	108	31.5 Å²	31.5	66%	0.663	20%	0.196	S	C	*	.			trans	-78.7	21.6	169.5	71.8	0	0	0	0	113.1	G518	G518-T520 PolarHBondContact O-N 2.99Å
521	G	72.3	Confident	86.3	Confident	37 Å²	37	32.2 Å²	32.2	38%	0.381	20%	0.2	S	C	.	.	S	Bend	trans	-87.7	-151.2	171.4	0	0	0	0	0	111.1	C519	C519-G521 PolarHBondContact O-N 2.76Å; C519-G521 VanDerWaalsContact O-N 3.16Å
522	T	84.6	Confident	86.4	Confident	66 Å²	66	32.7 Å²	32.7	41%	0.405	19%	0.194	S	C	.	.			trans	-75.2	169.3	179.7	82.9	0	0	0	0	113	E524 E525 R526	T522-E524 VanDerWaalsContact C-N 3.26Å; T522-E524 WeakPolarHBondContact CB-OE2 3.39Å; T522-E524 PolarHBondContact O-N 3.09Å; T522-E524 PolarHBondContact OG1-N 2.74Å; T522-E524 PolarHBondContact OG1-OE2 2.78Å; T522-E525 PolarHBondContact O-N 3.01Å; T522-E525 PolarHBondContact OG1-N 3.18Å; T522-R526 PolarHBondContact O-N 2.54Å; T522-R526 VanDerWaalsContact O-N 3.17Å
523	L	87.3	Confident	86.4	Confident	51 Å²	51	32.3 Å²	32.3	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-35.6	173.1	-105.4	163.6	0	0	0	111.6	R526 A527 E567	L523-R526 VanDerWaalsContact CD2-NH2 3.32Å; L523-R526 PolarHBondContact O-N 3.44Å; L523-A527 WeakPolarHBondContact O-CB 3.39Å; L523-A527 PolarHBondContact O-N 2.76Å; L523-E567 HydrophobicContact CD1-CB 4.27Å; L523-E567 HydrophobicContact CD2-CB 3.91Å
524	E	87.1	Confident	86.5	Confident	108 Å²	108	32.3 Å²	32.3	51%	0.505	19%	0.191	S	C	.	.	H	α-helix	trans	-68.2	-42.4	177.1	-55.3	74.6	-162.7	0	0	111.7	T522 R526 A527 S528	T522-E524 VanDerWaalsContact C-N 3.26Å; T522-E524 WeakPolarHBondContact CB-OE2 3.39Å; T522-E524 PolarHBondContact O-N 3.09Å; T522-E524 PolarHBondContact OG1-N 2.74Å; T522-E524 PolarHBondContact OG1-OE2 2.78Å; E524-R526 VanDerWaalsContact C-N 3.31Å; E524-R526 PolarHBondContact O-N 3.14Å; E524-A527 PolarHBondContact O-N 3.39Å; E524-S528 VanDerWaalsContact O-CB 3.24Å; E524-S528 WeakPolarHBondContact O-CB 3.43Å; E524-S528 PolarHBondContact O-N 3.48Å
525	E	87.3	Confident	86.5	Confident	95 Å²	95	33.9 Å²	33.9	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-59.7	-42.8	173.4	-75.7	-176.3	-148	0	0	111.8	T522 S528 T529	T522-E525 PolarHBondContact O-N 3.01Å; T522-E525 PolarHBondContact OG1-N 3.18Å; E525-S528 PolarHBondContact O-N 3.21Å; E525-T529 WeakPolarHBondContact O-CB 3.46Å; E525-T529 PolarHBondContact O-N 2.97Å; E525-T529 PolarHBondContact O-OG1 3.37Å
526	R	88.9	Confident	86.6	Confident	12 Å²	12	32.8 Å²	32.8	5%	0.045	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-42.1	179.2	-167.3	165.6	68.9	-116.1	11.2	111.5	C519 T522 L523 E524 T529 L530 T568 E716	C519-R526 HydrophobicContact CB-CB 4.01Å; C519-R526 HydrophobicContact CB-CG 3.92Å; T522-R526 PolarHBondContact O-N 2.54Å; T522-R526 VanDerWaalsContact O-N 3.17Å; L523-R526 VanDerWaalsContact CD2-NH2 3.32Å; L523-R526 PolarHBondContact O-N 3.44Å; E524-R526 VanDerWaalsContact C-N 3.31Å; E524-R526 PolarHBondContact O-N 3.14Å; R526-T529 PolarHBondContact O-N 3.34Å; R526-L530 WeakPolarHBondContact O-CB 3.27Å; R526-L530 PolarHBondContact O-N 2.88Å; R526-T568 HydrophobicContact CG-CG2 3.98Å; R526-T568 PolarHBondContact NE-OG1 3.3Å; R526-T568 PolarHBondContact NH2-OG1 3.25Å; R526-E716 IonicContact CZ-OE1 2.8Å; R526-E716 IonicContact NE-OE1 3.88Å; R526-E716 IonicContact NH2-OE1 3.64Å; R526-E716 PolarHBondContact NH2-OE1 2.73Å
527	A	90.3	Very high	86.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-35.7	174.5	0	0	0	0	0	113	L523 E524 L530 N531 T571	L523-A527 WeakPolarHBondContact O-CB 3.39Å; L523-A527 PolarHBondContact O-N 2.76Å; E524-A527 PolarHBondContact O-N 3.39Å; A527-L530 PolarHBondContact O-N 3.46Å; A527-N531 WeakPolarHBondContact O-CB 3.4Å; A527-N531 PolarHBondContact O-N 2.79Å; A527-T571 HydrophobicContact CB-CG2 3.69Å
528	S	90.2	Very high	86.8	Confident	46 Å²	46	34.5 Å²	34.5	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-40.9	173.6	-178.6	0	0	0	0	111.9	E524 E525 N531 R532	E524-S528 VanDerWaalsContact O-CB 3.24Å; E524-S528 WeakPolarHBondContact O-CB 3.43Å; E524-S528 PolarHBondContact O-N 3.48Å; E525-S528 PolarHBondContact O-N 3.21Å; S528-N531 WeakPolarHBondContact O-CB 3.29Å; S528-N531 PolarHBondContact O-N 2.86Å; S528-R532 WeakPolarHBondContact O-CB 3.4Å; S528-R532 PolarHBondContact O-N 3.05Å
529	T	89.3	Confident	87	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-43.9	173.8	-52.3	0	0	0	0	110.8	D515 E525 R526 R532 I533	D515-T529 WeakPolarHBondContact OD2-CG2 3.38Å; E525-T529 WeakPolarHBondContact O-CB 3.46Å; E525-T529 PolarHBondContact O-N 2.97Å; E525-T529 PolarHBondContact O-OG1 3.37Å; R526-T529 PolarHBondContact O-N 3.34Å; T529-R532 WeakPolarHBondContact O-CB 3.34Å; T529-R532 PolarHBondContact O-N 2.9Å; T529-I533 HydrophobicContact CG2-CD1 4.19Å; T529-I533 WeakPolarHBondContact O-CD1 3.34Å; T529-I533 WeakPolarHBondContact O-CG1 3.17Å; T529-I533 PolarHBondContact O-N 2.69Å; T529-I533 VanDerWaalsContact O-N 3.12Å
530	L	91.1	Very high	87.4	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-45.3	174.5	-176.9	63.4	0	0	0	112.6	I516 R526 A527 R532 I533 I534 L557 T568 W569 L572	I516-L530 HydrophobicContact CD1-CD1 3.97Å; R526-L530 WeakPolarHBondContact O-CB 3.27Å; R526-L530 PolarHBondContact O-N 2.88Å; A527-L530 PolarHBondContact O-N 3.46Å; L530-R532 VanDerWaalsContact C-N 3.27Å; L530-R532 PolarHBondContact O-N 3.4Å; L530-I533 PolarHBondContact O-N 3.09Å; L530-I534 HydrophobicContact CG-CD1 4.33Å; L530-I534 WeakPolarHBondContact O-CG1 3.4Å; L530-I534 PolarHBondContact O-N 3.48Å; L530-I534 VanDerWaalsContact O-N 3.11Å; L530-L557 HydrophobicContact CD1-CD2 3.45Å; L530-L557 VanDerWaalsContact CD1-CD2 3.45Å; L530-T568 HydrophobicContact CD2-CG2 3.75Å; L530-W569 HydrophobicContact CD1-CH2 3.95Å; L530-W569 HydrophobicContact CD1-CZ2 4.12Å; L530-W569 HydrophobicContact CD1-CZ3 4.47Å; L530-W569 HydrophobicContact CD2-CD2 3.95Å; L530-W569 HydrophobicContact CD2-CE3 3.87Å; L530-W569 HydrophobicContact CD2-CH2 4.09Å; L530-W569 HydrophobicContact CD2-CZ2 4.17Å; L530-W569 HydrophobicContact CD2-CZ3 3.94Å; L530-W569 HydrophobicContact CG-CH2 4.37Å; L530-W569 HydrophobicContact CG-CZ3 4.41Å; L530-L572 HydrophobicContact CD2-CB 4.38Å; L530-L572 HydrophobicContact CD2-CD2 4.01Å; L530-L572 HydrophobicContact CG-CD1 4.42Å; L530-L572 HydrophobicContact CG-CD2 4.29Å
531	N	91.8	Very high	88.1	Confident	14 Å²	14	30.5 Å²	30.5	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-55.5	-43.3	173.9	174.4	69.5	0	0	0	111.7	A527 S528 I534 L535 L572 Y576 T579	A527-N531 WeakPolarHBondContact O-CB 3.4Å; A527-N531 PolarHBondContact O-N 2.79Å; S528-N531 WeakPolarHBondContact O-CB 3.29Å; S528-N531 PolarHBondContact O-N 2.86Å; N531-I534 PolarHBondContact O-N 2.97Å; N531-L535 WeakPolarHBondContact O-CG 3.14Å; N531-L535 PolarHBondContact O-N 3.04Å; N531-L572 HydrophobicContact CB-CD1 3.62Å; N531-Y576 HydrophobicContact CB-CD1 4.38Å; N531-Y576 HydrophobicContact CB-CD2 3.8Å; N531-Y576 HydrophobicContact CB-CE2 4.08Å; N531-Y576 HydrophobicContact CB-CG 3.95Å; N531-Y576 WeakPolarHBondContact OD1-CB 3.44Å; N531-T579 WeakPolarHBondContact OD1-CB 3.44Å; N531-T579 VanDerWaalsContact OD1-CG2 3.27Å; N531-T579 WeakPolarHBondContact OD1-CG2 3.21Å; N531-T579 PolarHBondContact OD1-OG1 3.08Å
532	R	89.6	Confident	88.6	Confident	34 Å²	34	33.6 Å²	33.6	13%	0.128	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-42.8	179.4	-170.1	127.2	83.9	100.4	35	112.8	L446 L447 H449 H451 S528 T529 L530 I534 L535 V536	L446-R532 VanDerWaalsContact O-CZ 3.23Å; L446-R532 PolarHBondContact O-NH1 3.34Å; L446-R532 PolarHBondContact O-NH2 2.99Å; L447-R532 VanDerWaalsContact CA-NH2 3.33Å; H449-R532 PolarHBondContact O-NH1 2.91Å; H451-R532 WeakPolarHBondContact NE2-CD 3.33Å; H451-R532 WeakPolarHBondContact NE2-CG 3.43Å; S528-R532 WeakPolarHBondContact O-CB 3.4Å; S528-R532 PolarHBondContact O-N 3.05Å; T529-R532 WeakPolarHBondContact O-CB 3.34Å; T529-R532 PolarHBondContact O-N 2.9Å; L530-R532 VanDerWaalsContact C-N 3.27Å; L530-R532 PolarHBondContact O-N 3.4Å; R532-I534 VanDerWaalsContact C-N 3.31Å; R532-I534 PolarHBondContact O-N 2.9Å; R532-L535 PolarHBondContact O-N 3.09Å; R532-V536 WeakPolarHBondContact O-CG2 3.44Å; R532-V536 PolarHBondContact O-N 2.93Å
533	I	91.1	Very high	88.2	Confident	16 Å²	16	32.9 Å²	32.9	8%	0.082	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-38.6	178.2	-68.1	159.4	0	0	0	110.6	V512 I516 T529 L530 V536 A537 L553 L557	V512-I533 HydrophobicContact CG1-CD1 4.03Å; V512-I533 HydrophobicContact CG1-CG1 4.42Å; V512-I533 HydrophobicContact CG1-CG2 3.71Å; I516-I533 HydrophobicContact CD1-CD1 3.63Å; I516-I533 HydrophobicContact CG1-CD1 3.42Å; I516-I533 VanDerWaalsContact CG1-CD1 3.42Å; T529-I533 HydrophobicContact CG2-CD1 4.19Å; T529-I533 WeakPolarHBondContact O-CD1 3.34Å; T529-I533 WeakPolarHBondContact O-CG1 3.17Å; T529-I533 PolarHBondContact O-N 2.69Å; T529-I533 VanDerWaalsContact O-N 3.12Å; L530-I533 PolarHBondContact O-N 3.09Å; I533-V536 PolarHBondContact O-N 3.48Å; I533-A537 PolarHBondContact O-N 3.35Å; I533-L553 HydrophobicContact CG2-CD2 4.1Å; I533-L553 HydrophobicContact CG2-CG 4.31Å; I533-L557 HydrophobicContact CG2-CD1 4.39Å; I533-L557 HydrophobicContact CG2-CD2 4.04Å; I533-L557 HydrophobicContact CG2-CG 4.35Å
534	I	91.8	Very high	87.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-42.6	172.7	-68.5	164.7	0	0	0	111.3	L530 N531 R532 A537 M538 L557 W569 L572 Y583 L587	L530-I534 HydrophobicContact CG-CD1 4.33Å; L530-I534 WeakPolarHBondContact O-CG1 3.4Å; L530-I534 PolarHBondContact O-N 3.48Å; L530-I534 VanDerWaalsContact O-N 3.11Å; N531-I534 PolarHBondContact O-N 2.97Å; R532-I534 VanDerWaalsContact C-N 3.31Å; R532-I534 PolarHBondContact O-N 2.9Å; I534-A537 WeakPolarHBondContact O-CB 3.44Å; I534-A537 PolarHBondContact O-N 2.96Å; I534-M538 WeakPolarHBondContact O-CG 3.42Å; I534-M538 PolarHBondContact O-N 3.42Å; I534-L557 HydrophobicContact CG1-CD1 3.95Å; I534-W569 HydrophobicContact CD1-CH2 4.48Å; I534-W569 HydrophobicContact CD1-CZ3 4.12Å; I534-L572 HydrophobicContact CD1-CD2 3.65Å; I534-Y583 HydrophobicContact CD1-CG 4.19Å; I534-Y583 HydrophobicContact CG1-CD2 4.32Å; I534-Y583 HydrophobicContact CG1-CG 4.39Å; I534-L587 HydrophobicContact CG2-CD1 4.17Å
535	L	91	Very high	87	Confident	42 Å²	42	25.6 Å²	25.6	22%	0.22	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-42.3	176.2	-74.3	170.3	0	0	0	112.5	H451 N531 R532 A537 M538 E539 T579	H451-L535 WeakPolarHBondContact CD2-CB 3.37Å; N531-L535 WeakPolarHBondContact O-CG 3.14Å; N531-L535 PolarHBondContact O-N 3.04Å; R532-L535 PolarHBondContact O-N 3.09Å; L535-A537 VanDerWaalsContact C-N 3.29Å; L535-A537 PolarHBondContact O-N 2.86Å; L535-M538 HydrophobicContact CD2-SD 4.33Å; L535-M538 WeakPolarHBondContact O-CB 3.4Å; L535-M538 PolarHBondContact O-N 3.48Å; L535-M538 VanDerWaalsContact O-N 3.08Å; L535-E539 PolarHBondContact O-N 3.12Å; L535-T579 HydrophobicContact CD1-CG2 4.47Å; L535-T579 HydrophobicContact CD2-CG2 3.71Å; L535-T579 HydrophobicContact CG-CG2 4Å
536	V	90.2	Very high	86.9	Confident	7 Å²	7	21.1 Å²	21.1	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-41	172.6	173.2	0	0	0	0	110.8	H451 I454 A455 L458 R532 I533 M538 E539 L540 L553	H451-V536 HydrophobicContact CB-CG2 4.26Å; I454-V536 HydrophobicContact CB-CG2 4.21Å; I454-V536 HydrophobicContact CG2-CG1 3.87Å; I454-V536 HydrophobicContact CG2-CG2 3.85Å; A455-V536 HydrophobicContact CB-CG1 4.46Å; L458-V536 HydrophobicContact CD1-CG1 4.26Å; R532-V536 WeakPolarHBondContact O-CG2 3.44Å; R532-V536 PolarHBondContact O-N 2.93Å; I533-V536 PolarHBondContact O-N 3.48Å; V536-M538 VanDerWaalsContact C-N 3.31Å; V536-M538 PolarHBondContact O-N 3.46Å; V536-E539 PolarHBondContact O-N 2.99Å; V536-L540 HydrophobicContact CG1-CD1 3.91Å; V536-L540 HydrophobicContact CG1-CG 4.27Å; V536-L540 WeakPolarHBondContact O-CB 3.47Å; V536-L540 VanDerWaalsContact O-CG 3.27Å; V536-L540 WeakPolarHBondContact O-CG 3.45Å; V536-L540 PolarHBondContact O-N 2.85Å; V536-L553 HydrophobicContact CB-CD2 4.07Å; V536-L553 HydrophobicContact CG1-CD2 3.73Å
537	A	90.3	Very high	86.7	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-32.2	174.5	0	0	0	0	0	113.2	I533 I534 L535 K541 F550 L553 L587	I533-A537 PolarHBondContact O-N 3.35Å; I534-A537 WeakPolarHBondContact O-CB 3.44Å; I534-A537 PolarHBondContact O-N 2.96Å; L535-A537 VanDerWaalsContact C-N 3.29Å; L535-A537 PolarHBondContact O-N 2.86Å; A537-K541 PolarHBondContact O-N 3.33Å; A537-F550 HydrophobicContact CB-CD2 4.06Å; A537-F550 HydrophobicContact CB-CE2 4.23Å; A537-F550 WeakPolarHBondContact O-CD2 3.23Å; A537-L553 HydrophobicContact CB-CB 4.34Å; A537-L553 HydrophobicContact CB-CD2 4.13Å; A537-L587 HydrophobicContact CB-CD1 4.06Å
538	M	88.8	Confident	86.5	Confident	37 Å²	37	21 Å²	21	18%	0.182	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-44	172.3	-69.4	178	63.7	0	0	112	I534 L535 V536 K541 N542 L587	I534-M538 WeakPolarHBondContact O-CG 3.42Å; I534-M538 PolarHBondContact O-N 3.42Å; L535-M538 HydrophobicContact CD2-SD 4.33Å; L535-M538 WeakPolarHBondContact O-CB 3.4Å; L535-M538 PolarHBondContact O-N 3.48Å; L535-M538 VanDerWaalsContact O-N 3.08Å; V536-M538 VanDerWaalsContact C-N 3.31Å; V536-M538 PolarHBondContact O-N 3.46Å; M538-K541 PolarHBondContact O-N 3.42Å; M538-N542 VanDerWaalsContact O-CB 3.28Å; M538-N542 WeakPolarHBondContact O-CB 3.22Å; M538-N542 VanDerWaalsContact O-CG 3.24Å; M538-N542 PolarHBondContact O-N 3.19Å; M538-N542 PolarHBondContact O-ND2 3.13Å; M538-L587 HydrophobicContact CG-CD1 3.97Å; M538-L587 HydrophobicContact CG-CD2 4.08Å; M538-L587 HydrophobicContact CG-CG 4.37Å
539	E	86.6	Confident	86.3	Confident	40 Å²	40	18.8 Å²	18.8	19%	0.187	10%	0.102	C	C	.	.	H	α-helix	trans	-67.9	-40.9	178.1	-63	-52.6	120.7	0	0	112.3	H451 Q452 A455 L535 V536 K541 N542 A543 V544	H451-E539 HydrophobicContact CB-CG 4.37Å; Q452-E539 HydrophobicContact CG-CB 4.38Å; Q452-E539 HydrophobicContact CG-CG 3.75Å; Q452-E539 VanDerWaalsContact CG-OE2 3.23Å; Q452-E539 WeakPolarHBondContact CG-OE2 3.49Å; Q452-E539 PolarHBondContact NE2-OE2 2.93Å; A455-E539 HydrophobicContact CB-CB 4.09Å; L535-E539 PolarHBondContact O-N 3.12Å; V536-E539 PolarHBondContact O-N 2.99Å; E539-K541 VanDerWaalsContact C-N 3.27Å; E539-K541 PolarHBondContact O-N 2.98Å; E539-N542 PolarHBondContact O-N 2.89Å; E539-A543 PolarHBondContact O-N 3.4Å; E539-V544 PolarHBondContact O-N 3.05Å
540	L	85.9	Confident	86.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-55.6	-41.4	173.6	-74.5	170.3	0	0	0	112.1	A455 L458 V536 V544 G545 D546 A549 F550 L553	A455-L540 HydrophobicContact CB-CD2 3.78Å; A455-L540 HydrophobicContact CB-CG 3.91Å; L458-L540 HydrophobicContact CD1-CD1 4.45Å; V536-L540 HydrophobicContact CG1-CD1 3.91Å; V536-L540 HydrophobicContact CG1-CG 4.27Å; V536-L540 WeakPolarHBondContact O-CB 3.47Å; V536-L540 VanDerWaalsContact O-CG 3.27Å; V536-L540 WeakPolarHBondContact O-CG 3.45Å; V536-L540 PolarHBondContact O-N 2.85Å; L540-V544 HydrophobicContact CD2-CG1 4.19Å; L540-G545 PolarHBondContact O-N 3.34Å; L540-G545 VanDerWaalsContact O-N 3.1Å; L540-D546 HydrophobicContact CD2-CB 4.07Å; L540-D546 PolarHBondContact O-N 3.37Å; L540-A549 HydrophobicContact CD1-CB 4Å; L540-A549 HydrophobicContact CD2-CB 4.05Å; L540-F550 HydrophobicContact CB-CB 4.15Å; L540-L553 HydrophobicContact CD1-CD1 4.21Å; L540-L553 HydrophobicContact CD1-CD2 4.03Å
541	K	84.2	Confident	86.1	Confident	26 Å²	26	18.3 Å²	18.3	11%	0.113	10%	0.099	C	C	.	.	I	π-helix	trans	-72.2	-50.2	175.7	178.5	-175.2	175.1	178.7	0	113.1	A537 M538 E539 F550 I586 L587 F590	A537-K541 PolarHBondContact O-N 3.33Å; M538-K541 PolarHBondContact O-N 3.42Å; E539-K541 VanDerWaalsContact C-N 3.27Å; E539-K541 PolarHBondContact O-N 2.98Å; K541-F550 HydrophobicContact CB-CD2 4.3Å; K541-I586 PolarHBondContact NZ-O 3.28Å; K541-L587 HydrophobicContact CD-CD2 4.07Å; K541-F590 HydrophobicContact CD-CD1 3.54Å; K541-F590 HydrophobicContact CD-CE1 3.56Å; K541-F590 HydrophobicContact CD-CG 4.18Å; K541-F590 HydrophobicContact CD-CZ 4.23Å; K541-F590 VanDerWaalsContact CE-CE1 3.45Å; K541-F590 HydrophobicContact CG-CD1 4.13Å; K541-F590 HydrophobicContact CG-CE1 3.61Å; K541-F590 HydrophobicContact CG-CZ 4.13Å; K541-F590 VanDerWaalsContact NZ-CG 3.28Å
542	N	83.5	Confident	86.1	Confident	101 Å²	101	17.6 Å²	17.6	54%	0.54	10%	0.096	S	C	.	.	I	π-helix	trans	-93.4	-39.2	-161.2	-64.5	-19.9	0	0	0	114	M538 E539	M538-N542 VanDerWaalsContact O-CB 3.28Å; M538-N542 WeakPolarHBondContact O-CB 3.22Å; M538-N542 VanDerWaalsContact O-CG 3.24Å; M538-N542 PolarHBondContact O-N 3.19Å; M538-N542 PolarHBondContact O-ND2 3.13Å; E539-N542 PolarHBondContact O-N 2.89Å
543	A	77.3	Confident	86.1	Confident	52 Å²	52	16.3 Å²	16.3	43%	0.43	9%	0.091	S	C	.	.	I	π-helix	trans	-109.5	-35.9	-171.7	0	0	0	0	0	112.6	E539	E539-A543 PolarHBondContact O-N 3.4Å
544	V	72.7	Confident	86.1	Confident	5 Å²	5	15.5 Å²	15.5	3%	0.03	9%	0.087	C	C	.	.	I	π-helix	trans	-96.8	-28.1	-168.3	173	0	0	0	0	112.7	A455 T456 K459 E539 L540 D546	A455-V544 HydrophobicContact CB-CG2 3.8Å; T456-V544 HydrophobicContact CG2-CG2 4.13Å; K459-V544 HydrophobicContact CB-CG1 3.71Å; K459-V544 HydrophobicContact CD-CG1 3.38Å; K459-V544 WeakPolarHBondContact CD-O 3.11Å; K459-V544 HydrophobicContact CG-CG1 4.14Å; K459-V544 PolarHBondContact NZ-O 3.47Å; E539-V544 PolarHBondContact O-N 3.05Å; L540-V544 HydrophobicContact CD2-CG1 4.19Å; V544-D546 HydrophobicContact CG1-CB 4.27Å
545	G	76.3	Confident	86	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.01	10%	0.096	C	C	.	.			trans	75.3	26.7	174.2	0	0	0	0	0	114.6	L540 V604 C606 I607	L540-G545 PolarHBondContact O-N 3.34Å; L540-G545 VanDerWaalsContact O-N 3.1Å; G545-V604 VanDerWaalsContact CA-O 3.27Å; G545-V604 WeakPolarHBondContact CA-O 3.36Å; G545-C606 PolarHBondContact O-N 2.82Å; G545-I607 PolarHBondContact O-N 3.02Å
546	D	84.3	Confident	85.9	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-105	93.2	-178.9	-177.9	-7.3	0	0	0	110.6	K459 L540 V544 F548 A549 F550 I607	K459-D546 HydrophobicContact CB-CB 4.47Å; L540-D546 HydrophobicContact CD2-CB 4.07Å; L540-D546 PolarHBondContact O-N 3.37Å; V544-D546 HydrophobicContact CG1-CB 4.27Å; D546-F548 VanDerWaalsContact C-N 3.3Å; D546-F548 WeakPolarHBondContact OD1-CA 3.49Å; D546-F548 WeakPolarHBondContact OD1-CB 3.5Å; D546-F548 PolarHBondContact OD1-N 2.86Å; D546-A549 PolarHBondContact OD1-N 2.96Å; D546-A549 WeakPolarHBondContact OD2-CB 3.43Å; D546-F550 WeakPolarHBondContact O-CB 3.34Å; D546-F550 PolarHBondContact O-N 2.95Å; D546-I607 HydrophobicContact CB-CD1 4.33Å
547	L	84.1	Confident	86	Confident	9 Å²	9	15.2 Å²	15.2	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-74.8	-21.5	179.1	-57.1	179.5	0	0	0	112.2	S551 F590 L594 P602 V605 I607 L609	L547-S551 VanDerWaalsContact O-CB 3.32Å; L547-S551 WeakPolarHBondContact O-CB 3.35Å; L547-S551 PolarHBondContact O-N 2.97Å; L547-S551 PolarHBondContact O-OG 3.26Å; L547-F590 HydrophobicContact CD2-CE1 4.14Å; L547-F590 HydrophobicContact CD2-CZ 4.05Å; L547-L594 HydrophobicContact CD1-CD2 4.11Å; L547-L594 HydrophobicContact CD2-CD1 4.45Å; L547-P602 HydrophobicContact CD2-CG 4.38Å; L547-V605 HydrophobicContact CD1-CG1 4.19Å; L547-V605 HydrophobicContact CD1-CG2 4.16Å; L547-I607 WeakPolarHBondContact CB-O 3.31Å; L547-I607 PolarHBondContact N-O 3.33Å; L547-L609 HydrophobicContact CB-CB 4.21Å
548	F	86.1	Confident	85.9	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.5	-56.1	177.8	178.3	-79.3	0	0	0	110.5	L462 L501 R504 H505 D546 F550 S551 A552 I607 L610	L462-F548 HydrophobicContact CD1-CD1 4.29Å; L462-F548 HydrophobicContact CD1-CE1 4.15Å; L462-F548 HydrophobicContact CD2-CB 3.86Å; L462-F548 HydrophobicContact CD2-CD1 3.26Å; L462-F548 HydrophobicContact CD2-CE1 3.91Å; L462-F548 HydrophobicContact CD2-CG 3.7Å; L462-F548 HydrophobicContact CG-CD1 4.44Å; L501-F548 HydrophobicContact CB-CE2 4.31Å; L501-F548 HydrophobicContact CD2-CE2 4.15Å; L501-F548 HydrophobicContact CD2-CZ 4.24Å; L501-F548 WeakPolarHBondContact O-CZ 3.21Å; R504-F548 HydrophobicContact CG-CE1 4.46Å; H505-F548 HydrophobicContact CB-CE1 4.31Å; H505-F548 HydrophobicContact CB-CE2 4.3Å; H505-F548 HydrophobicContact CB-CZ 3.74Å; D546-F548 VanDerWaalsContact C-N 3.3Å; D546-F548 WeakPolarHBondContact OD1-CA 3.49Å; D546-F548 WeakPolarHBondContact OD1-CB 3.5Å; D546-F548 PolarHBondContact OD1-N 2.86Å; F548-F550 VanDerWaalsContact C-N 3.33Å; F548-F550 PolarHBondContact O-N 2.8Å; F548-S551 PolarHBondContact O-N 3.43Å; F548-S551 VanDerWaalsContact O-N 3.12Å; F548-S551 PolarHBondContact O-OG 3.22Å; F548-A552 PolarHBondContact O-N 3.34Å; F548-A552 VanDerWaalsContact O-N 3.13Å; F548-I607 HydrophobicContact CB-CG2 3.86Å; F548-L610 HydrophobicContact CD2-CB 4.36Å
549	A	85.9	Confident	85.9	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-38	178.7	0	0	0	0	0	111.3	M508 L540 D546 S551 A552 L553	M508-A549 HydrophobicContact SD-CB 4.23Å; L540-A549 HydrophobicContact CD1-CB 4Å; L540-A549 HydrophobicContact CD2-CB 4.05Å; D546-A549 PolarHBondContact OD1-N 2.96Å; D546-A549 WeakPolarHBondContact OD2-CB 3.43Å; A549-S551 VanDerWaalsContact C-N 3.29Å; A549-S551 PolarHBondContact O-N 3.5Å; A549-A552 PolarHBondContact O-N 2.99Å; A549-A552 VanDerWaalsContact O-N 3.12Å; A549-L553 WeakPolarHBondContact O-CD1 3.22Å; A549-L553 PolarHBondContact O-N 2.81Å
550	F	89.2	Confident	86	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-52.6	-47.3	170.1	169.7	-108.9	0	0	0	111.7	A537 L540 K541 D546 F548 A552 L553 M554 L587 F590 Y591 L594	A537-F550 HydrophobicContact CB-CD2 4.06Å; A537-F550 HydrophobicContact CB-CE2 4.23Å; A537-F550 WeakPolarHBondContact O-CD2 3.23Å; L540-F550 HydrophobicContact CB-CB 4.15Å; K541-F550 HydrophobicContact CB-CD2 4.3Å; D546-F550 WeakPolarHBondContact O-CB 3.34Å; D546-F550 PolarHBondContact O-N 2.95Å; F548-F550 VanDerWaalsContact C-N 3.33Å; F548-F550 PolarHBondContact O-N 2.8Å; F550-A552 VanDerWaalsContact C-N 3.31Å; F550-A552 PolarHBondContact O-N 2.65Å; F550-L553 PolarHBondContact O-N 2.95Å; F550-M554 HydrophobicContact CD1-CG 4.5Å; F550-M554 HydrophobicContact CD2-CG 4.03Å; F550-M554 HydrophobicContact CE1-CG 3.98Å; F550-M554 HydrophobicContact CE2-CG 3.43Å; F550-M554 VanDerWaalsContact CE2-CG 3.43Å; F550-M554 HydrophobicContact CE2-SD 3.86Å; F550-M554 HydrophobicContact CZ-CG 3.41Å; F550-M554 VanDerWaalsContact CZ-CG 3.41Å; F550-M554 HydrophobicContact CZ-SD 4.02Å; F550-M554 WeakPolarHBondContact O-CG 3.37Å; F550-M554 PolarHBondContact O-N 3.36Å; F550-L587 HydrophobicContact CE2-CB 4.38Å; F550-L587 HydrophobicContact CE2-CD2 3.96Å; F550-L587 HydrophobicContact CZ-CB 4.41Å; F550-L587 HydrophobicContact CZ-CD2 4.39Å; F550-F590 HydrophobicContact CD1-CD1 4.48Å; F550-F590 HydrophobicContact CD1-CE1 4.25Å; F550-F590 AromaticContact CE1-CD1 3.61Å; F550-F590 HydrophobicContact CE1-CD1 3.61Å; F550-F590 AromaticContact CE1-CE1 3.8Å; F550-F590 HydrophobicContact CE1-CE1 3.8Å; F550-F590 AromaticContact CZ-CD1 3.84Å; F550-F590 HydrophobicContact CZ-CD1 3.84Å; F550-F590 HydrophobicContact CZ-CE1 4.34Å; F550-Y591 HydrophobicContact CE1-CD2 4.29Å; F550-L594 HydrophobicContact CD1-CD1 4.16Å; F550-L594 HydrophobicContact CE1-CD1 3.93Å
551	S	88.8	Confident	86.2	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-28.4	179.7	76.5	0	0	0	0	113.8	H505 L547 F548 A549 K555 L609	H505-S551 PolarHBondContact NE2-OG 3.12Å; L547-S551 VanDerWaalsContact O-CB 3.32Å; L547-S551 WeakPolarHBondContact O-CB 3.35Å; L547-S551 PolarHBondContact O-N 2.97Å; L547-S551 PolarHBondContact O-OG 3.26Å; F548-S551 PolarHBondContact O-N 3.43Å; F548-S551 VanDerWaalsContact O-N 3.12Å; F548-S551 PolarHBondContact O-OG 3.22Å; A549-S551 VanDerWaalsContact C-N 3.29Å; A549-S551 PolarHBondContact O-N 3.5Å; S551-K555 VanDerWaalsContact O-CB 3.25Å; S551-K555 WeakPolarHBondContact O-CB 3.43Å; S551-K555 PolarHBondContact O-N 3.34Å; S551-L609 WeakPolarHBondContact OG-CD1 3.46Å
552	A	89.7	Confident	86.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-71.4	-42.2	174.7	0	0	0	0	0	111.6	H505 M508 A509 F548 A549 F550 K555 A556	H505-A552 PolarHBondContact NE2-N 3Å; M508-A552 HydrophobicContact CB-CB 4.33Å; M508-A552 HydrophobicContact CG-CB 4.2Å; M508-A552 HydrophobicContact SD-CB 3.81Å; A509-A552 WeakPolarHBondContact CB-O 3.44Å; F548-A552 PolarHBondContact O-N 3.34Å; F548-A552 VanDerWaalsContact O-N 3.13Å; A549-A552 PolarHBondContact O-N 2.99Å; A549-A552 VanDerWaalsContact O-N 3.12Å; F550-A552 VanDerWaalsContact C-N 3.31Å; F550-A552 PolarHBondContact O-N 2.65Å; A552-K555 PolarHBondContact O-N 2.82Å; A552-A556 PolarHBondContact O-N 2.84Å
553	L	90.8	Very high	86.7	Confident	6 Å²	6	18.9 Å²	18.9	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-45.5	173.7	-89.4	71.3	0	0	0	111.5	M508 V512 I533 V536 A537 L540 A549 F550 K555 A556 L557	M508-L553 HydrophobicContact SD-CD1 4.36Å; V512-L553 HydrophobicContact CG2-CD1 4.22Å; V512-L553 HydrophobicContact CG2-CG 4.25Å; I533-L553 HydrophobicContact CG2-CD2 4.1Å; I533-L553 HydrophobicContact CG2-CG 4.31Å; V536-L553 HydrophobicContact CB-CD2 4.07Å; V536-L553 HydrophobicContact CG1-CD2 3.73Å; A537-L553 HydrophobicContact CB-CB 4.34Å; A537-L553 HydrophobicContact CB-CD2 4.13Å; L540-L553 HydrophobicContact CD1-CD1 4.21Å; L540-L553 HydrophobicContact CD1-CD2 4.03Å; A549-L553 WeakPolarHBondContact O-CD1 3.22Å; A549-L553 PolarHBondContact O-N 2.81Å; F550-L553 PolarHBondContact O-N 2.95Å; L553-K555 PolarHBondContact O-N 3.49Å; L553-A556 WeakPolarHBondContact O-CB 3.46Å; L553-A556 PolarHBondContact O-N 2.72Å; L553-L557 WeakPolarHBondContact O-CG 3.36Å; L553-L557 PolarHBondContact O-N 3.01Å
554	M	90.8	Very high	87.3	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-43.8	176.3	-71.8	-59.5	-60.4	0	0	112.1	F550 A556 L557 D558 Y583 L587 K588 Y591	F550-M554 HydrophobicContact CD1-CG 4.5Å; F550-M554 HydrophobicContact CD2-CG 4.03Å; F550-M554 HydrophobicContact CE1-CG 3.98Å; F550-M554 HydrophobicContact CE2-CG 3.43Å; F550-M554 VanDerWaalsContact CE2-CG 3.43Å; F550-M554 HydrophobicContact CE2-SD 3.86Å; F550-M554 HydrophobicContact CZ-CG 3.41Å; F550-M554 VanDerWaalsContact CZ-CG 3.41Å; F550-M554 HydrophobicContact CZ-SD 4.02Å; F550-M554 WeakPolarHBondContact O-CG 3.37Å; F550-M554 PolarHBondContact O-N 3.36Å; M554-A556 VanDerWaalsContact C-N 3.27Å; M554-A556 PolarHBondContact O-N 3.2Å; M554-L557 PolarHBondContact O-N 2.83Å; M554-L557 VanDerWaalsContact O-N 3.12Å; M554-L557 HydrophobicContact SD-CD1 4.45Å; M554-D558 PolarHBondContact O-N 2.98Å; M554-Y583 HydrophobicContact CE-CD2 4.2Å; M554-Y583 HydrophobicContact CE-CE2 3.68Å; M554-Y583 HydrophobicContact SD-CD2 4.26Å; M554-Y583 HydrophobicContact SD-CE2 3.98Å; M554-L587 HydrophobicContact CE-CB 3.99Å; M554-L587 HydrophobicContact SD-CB 3.77Å; M554-L587 HydrophobicContact SD-CD1 4.25Å; M554-K588 HydrophobicContact CE-CG 3.88Å; M554-Y591 HydrophobicContact CB-CD1 4.38Å; M554-Y591 HydrophobicContact CB-CD2 3.35Å; M554-Y591 HydrophobicContact CB-CE1 4.49Å; M554-Y591 HydrophobicContact CB-CE2 3.48Å; M554-Y591 VanDerWaalsContact CB-CE2 3.48Å; M554-Y591 HydrophobicContact CB-CG 3.84Å; M554-Y591 HydrophobicContact CE-CG 4.28Å; M554-Y591 HydrophobicContact CG-CD2 3.8Å; M554-Y591 HydrophobicContact CG-CE2 4.4Å; M554-Y591 HydrophobicContact CG-CG 4.15Å
555	K	89.2	Confident	88.1	Confident	43 Å²	43	19.4 Å²	19.4	19%	0.187	10%	0.096	C	C	.	.	H	α-helix	trans	-57.7	-39.8	174.2	-176.3	168.7	-175.1	168.2	0	111.9	S551 A552 L553 M559	S551-K555 VanDerWaalsContact O-CB 3.25Å; S551-K555 WeakPolarHBondContact O-CB 3.43Å; S551-K555 PolarHBondContact O-N 3.34Å; A552-K555 PolarHBondContact O-N 2.82Å; L553-K555 PolarHBondContact O-N 3.49Å; K555-M559 WeakPolarHBondContact O-CG 3.32Å; K555-M559 PolarHBondContact O-N 2.7Å
556	A	90.5	Very high	88.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-41.9	174.9	0	0	0	0	0	112.6	A509 V512 A552 L553 M554 D558 M559 I562	A509-A556 HydrophobicContact CB-CB 4.23Å; A509-A556 WeakPolarHBondContact O-CB 3.49Å; V512-A556 HydrophobicContact CB-CB 3.81Å; V512-A556 HydrophobicContact CG1-CB 3.69Å; A552-A556 PolarHBondContact O-N 2.84Å; L553-A556 WeakPolarHBondContact O-CB 3.46Å; L553-A556 PolarHBondContact O-N 2.72Å; M554-A556 VanDerWaalsContact C-N 3.27Å; M554-A556 PolarHBondContact O-N 3.2Å; A556-D558 PolarHBondContact O-N 3.48Å; A556-M559 VanDerWaalsContact O-CB 3.3Å; A556-M559 WeakPolarHBondContact O-CB 3.43Å; A556-M559 PolarHBondContact O-N 2.96Å; A556-I562 WeakPolarHBondContact O-CD1 3.25Å
557	L	90.3	Very high	88.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-32	-179.4	-65.8	173.2	0	0	0	113.3	I516 L530 I533 I534 L553 M554 W569 Y583	I516-L557 HydrophobicContact CD1-CD2 4.05Å; L530-L557 HydrophobicContact CD1-CD2 3.45Å; L530-L557 VanDerWaalsContact CD1-CD2 3.45Å; I533-L557 HydrophobicContact CG2-CD1 4.39Å; I533-L557 HydrophobicContact CG2-CD2 4.04Å; I533-L557 HydrophobicContact CG2-CG 4.35Å; I534-L557 HydrophobicContact CG1-CD1 3.95Å; L553-L557 WeakPolarHBondContact O-CG 3.36Å; L553-L557 PolarHBondContact O-N 3.01Å; M554-L557 PolarHBondContact O-N 2.83Å; M554-L557 VanDerWaalsContact O-N 3.12Å; M554-L557 HydrophobicContact SD-CD1 4.45Å; L557-W569 HydrophobicContact CD2-CH2 4.4Å; L557-Y583 HydrophobicContact CB-CE2 3.95Å; L557-Y583 WeakPolarHBondContact CB-OH 3.22Å; L557-Y583 HydrophobicContact CD1-CD2 4.11Å; L557-Y583 HydrophobicContact CD1-CE2 3.62Å; L557-Y583 HydrophobicContact CG-CE2 4.42Å
558	D	89.7	Confident	89.1	Confident	62 Å²	62	29 Å²	29	33%	0.332	14%	0.14	S	C	.	.	H	α-helix	trans	-84	-10.2	177.1	-75.5	-31.2	0	0	0	113.8	M554 A556 Q560 Y583 K588	M554-D558 PolarHBondContact O-N 2.98Å; A556-D558 PolarHBondContact O-N 3.48Å; D558-Q560 PolarHBondContact O-N 2.88Å; D558-Y583 PolarHBondContact OD1-OH 3.23Å; D558-Y583 VanDerWaalsContact OD1-OH 3.14Å; D558-K588 VanDerWaalsContact OD1-CE 3.29Å; D558-K588 WeakPolarHBondContact OD1-CE 3.49Å
559	M	88.7	Confident	89.4	Confident	6 Å²	6	29.5 Å²	29.5	3%	0.03	14%	0.142	C	C	.	.	S	Bend	trans	-49.1	134.9	173.2	-84.5	178.1	179.3	0	0	112	A509 I510 A513 K555 A556 Q561 I562 S563	A509-M559 HydrophobicContact CB-CE 4.07Å; I510-M559 HydrophobicContact CG1-CE 4.38Å; A513-M559 HydrophobicContact CB-SD 3.71Å; K555-M559 WeakPolarHBondContact O-CG 3.32Å; K555-M559 PolarHBondContact O-N 2.7Å; A556-M559 VanDerWaalsContact O-CB 3.3Å; A556-M559 WeakPolarHBondContact O-CB 3.43Å; A556-M559 PolarHBondContact O-N 2.96Å; M559-Q561 PolarHBondContact O-N 2.91Å; M559-I562 HydrophobicContact CB-CG1 4.36Å; M559-I562 PolarHBondContact O-N 2.84Å; M559-S563 PolarHBondContact O-N 2.92Å; M559-S563 PolarHBondContact O-OG 3.41Å
560	Q	88.4	Confident	89.7	Confident	146 Å²	146	32.1 Å²	32.1	68%	0.682	16%	0.158	S	C	*	.	H	α-helix	trans	-56.9	-29	-176.2	-165.3	-173.9	27.4	0	0	112.8	D558 I562 S563 R564	D558-Q560 PolarHBondContact O-N 2.88Å; Q560-I562 VanDerWaalsContact C-N 3.31Å; Q560-S563 WeakPolarHBondContact CA-OG 3.36Å; Q560-R564 WeakPolarHBondContact O-CB 3.17Å; Q560-R564 WeakPolarHBondContact O-CG 3.42Å
561	Q	89.1	Confident	89.8	Confident	9 Å²	9	33 Å²	33	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-75	-19.8	-178.6	-50.8	80.9	-5.6	0	0	112.1	L517 M559 E625 L708 S712	L517-Q561 HydrophobicContact CD1-CB 4.33Å; M559-Q561 PolarHBondContact O-N 2.91Å; Q561-E625 PolarHBondContact NE2-OE1 3.02Å; Q561-L708 HydrophobicContact CB-CB 4.28Å; Q561-L708 HydrophobicContact CG-CB 4.01Å; Q561-S712 VanDerWaalsContact O-CB 3.27Å; Q561-S712 WeakPolarHBondContact O-CB 3.45Å; Q561-S712 PolarHBondContact O-OG 2.94Å
562	I	89.4	Confident	90	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-106.3	-44.4	177	-49.3	-167.4	0	0	0	111.6	A513 I516 A556 M559 Q560 R564 L565 W569	A513-I562 HydrophobicContact CB-CD1 3.75Å; I516-I562 HydrophobicContact CB-CD1 4.34Å; I516-I562 HydrophobicContact CD1-CD1 3.71Å; I516-I562 HydrophobicContact CD1-CG2 4.25Å; I516-I562 HydrophobicContact CG2-CG2 4.19Å; A556-I562 WeakPolarHBondContact O-CD1 3.25Å; M559-I562 HydrophobicContact CB-CG1 4.36Å; M559-I562 PolarHBondContact O-N 2.84Å; Q560-I562 VanDerWaalsContact C-N 3.31Å; I562-R564 PolarHBondContact O-N 2.88Å; I562-R564 VanDerWaalsContact O-N 3.15Å; I562-L565 HydrophobicContact CG2-CD1 4.3Å; I562-L565 VanDerWaalsContact O-CB 3.32Å; I562-L565 WeakPolarHBondContact O-CB 3.41Å; I562-L565 WeakPolarHBondContact O-CG 3.43Å; I562-L565 PolarHBondContact O-N 2.82Å; I562-W569 HydrophobicContact CG2-CZ2 4.32Å; I562-W569 PolarHBondContact O-NE1 2.57Å
563	S	89.5	Confident	90.2	Very high	57 Å²	57	38.3 Å²	38.3	40%	0.399	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-25.9	-178.5	53.9	0	0	0	0	113.1	M559 Q560 L565	M559-S563 PolarHBondContact O-N 2.92Å; M559-S563 PolarHBondContact O-OG 3.41Å; Q560-S563 WeakPolarHBondContact CA-OG 3.36Å; S563-L565 VanDerWaalsContact C-N 3.32Å; S563-L565 PolarHBondContact O-N 2.9Å
564	R	91	Very high	90.2	Very high	68 Å²	68	47.1 Å²	47.1	26%	0.257	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.2	174	78.2	170.8	-148.1	79	21.2	116.2	Q560 I562 E566 S712 E716	Q560-R564 WeakPolarHBondContact O-CB 3.17Å; Q560-R564 WeakPolarHBondContact O-CG 3.42Å; I562-R564 PolarHBondContact O-N 2.88Å; I562-R564 VanDerWaalsContact O-N 3.15Å; R564-E566 VanDerWaalsContact C-N 3.25Å; R564-E566 PolarHBondContact O-N 3.22Å; R564-S712 PolarHBondContact NE-OG 3.02Å; R564-S712 PolarHBondContact NH2-O 3.28Å; R564-S712 PolarHBondContact NH2-OG 3.04Å; R564-E716 PolarHBondContact NH1-O 3.16Å; R564-E716 PolarHBondContact NH2-O 2.72Å
565	L	87.9	Confident	90.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.239	C	C	.	.			trans	-81.4	67.1	-175	-64.6	177.3	0	0	0	111.5	I516 L517 I562 S563 E567 T568 W569 E716	I516-L565 HydrophobicContact CG2-CD1 4.35Å; L517-L565 HydrophobicContact CD2-CD1 3.9Å; I562-L565 HydrophobicContact CG2-CD1 4.3Å; I562-L565 VanDerWaalsContact O-CB 3.32Å; I562-L565 WeakPolarHBondContact O-CB 3.41Å; I562-L565 WeakPolarHBondContact O-CG 3.43Å; I562-L565 PolarHBondContact O-N 2.82Å; S563-L565 VanDerWaalsContact C-N 3.32Å; S563-L565 PolarHBondContact O-N 2.9Å; L565-E567 VanDerWaalsContact C-N 3.27Å; L565-E567 PolarHBondContact O-N 3.16Å; L565-T568 WeakPolarHBondContact O-CB 3.48Å; L565-T568 PolarHBondContact O-N 3.3Å; L565-T568 VanDerWaalsContact O-N 3.1Å; L565-W569 PolarHBondContact O-N 2.92Å; L565-E716 WeakPolarHBondContact CA-OE2 3.39Å; L565-E716 HydrophobicContact CD2-CB 3.99Å; L565-E716 HydrophobicContact CD2-CG 4.04Å
566	E	88.4	Confident	90.4	Very high	108 Å²	108	53.2 Å²	53.2	51%	0.505	25%	0.246	S	C	.	.	H	α-helix	trans	-54.1	-37.5	-173.9	-70.3	-179.7	-139.7	0	0	113.7	R564 T570 E716 Q722	R564-E566 VanDerWaalsContact C-N 3.25Å; R564-E566 PolarHBondContact O-N 3.22Å; E566-T570 WeakPolarHBondContact O-CB 3.35Å; E566-T570 VanDerWaalsContact O-CG2 3.28Å; E566-T570 WeakPolarHBondContact O-CG2 3.41Å; E566-T570 PolarHBondContact O-N 3.14Å; E566-T570 PolarHBondContact O-OG1 3.32Å; E566-E716 PolarHBondContact N-OE2 3.3Å; E566-E716 VanDerWaalsContact N-OE2 3.1Å; E566-Q722 PolarHBondContact OE1-NE2 3.44Å
567	E	88.6	Confident	90.5	Very high	103 Å²	103	57 Å²	57	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-70.7	-39.9	179	-58.5	-175.6	165.1	0	0	111	L523 L565 T570 T571 E716	L523-E567 HydrophobicContact CD1-CB 4.27Å; L523-E567 HydrophobicContact CD2-CB 3.91Å; L565-E567 VanDerWaalsContact C-N 3.27Å; L565-E567 PolarHBondContact O-N 3.16Å; E567-T570 PolarHBondContact O-OG1 2.61Å; E567-T571 VanDerWaalsContact O-CB 3.31Å; E567-T571 WeakPolarHBondContact O-CB 3.46Å; E567-T571 PolarHBondContact O-N 3.26Å; E567-T571 PolarHBondContact O-OG1 3.31Å; E567-E716 HydrophobicContact CB-CG 4.4Å; E567-E716 PolarHBondContact N-OE2 3.45Å
568	T	90.2	Very high	90.6	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-48.8	174.3	-52.5	0	0	0	0	111.4	R526 L530 L565 T570 T571 L572 E716	R526-T568 HydrophobicContact CG-CG2 3.98Å; R526-T568 PolarHBondContact NE-OG1 3.3Å; R526-T568 PolarHBondContact NH2-OG1 3.25Å; L530-T568 HydrophobicContact CD2-CG2 3.75Å; L565-T568 WeakPolarHBondContact O-CB 3.48Å; L565-T568 PolarHBondContact O-N 3.3Å; L565-T568 VanDerWaalsContact O-N 3.1Å; T568-T570 PolarHBondContact O-N 3.47Å; T568-T571 PolarHBondContact O-N 3.33Å; T568-L572 PolarHBondContact O-N 3.48Å; T568-E716 PolarHBondContact N-OE1 3.05Å; T568-E716 VanDerWaalsContact N-OE1 3.17Å; T568-E716 PolarHBondContact OG1-OE1 3.42Å
569	W	91.9	Very high	90.7	Very high	11 Å²	11	60.8 Å²	60.8	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-33.3	-178.6	-73.5	109.4	0	0	0	112.9	L530 I534 L557 I562 L565 L572 R573 Y583	L530-W569 HydrophobicContact CD1-CH2 3.95Å; L530-W569 HydrophobicContact CD1-CZ2 4.12Å; L530-W569 HydrophobicContact CD1-CZ3 4.47Å; L530-W569 HydrophobicContact CD2-CD2 3.95Å; L530-W569 HydrophobicContact CD2-CE3 3.87Å; L530-W569 HydrophobicContact CD2-CH2 4.09Å; L530-W569 HydrophobicContact CD2-CZ2 4.17Å; L530-W569 HydrophobicContact CD2-CZ3 3.94Å; L530-W569 HydrophobicContact CG-CH2 4.37Å; L530-W569 HydrophobicContact CG-CZ3 4.41Å; I534-W569 HydrophobicContact CD1-CH2 4.48Å; I534-W569 HydrophobicContact CD1-CZ3 4.12Å; L557-W569 HydrophobicContact CD2-CH2 4.4Å; I562-W569 HydrophobicContact CG2-CZ2 4.32Å; I562-W569 PolarHBondContact O-NE1 2.57Å; L565-W569 PolarHBondContact O-N 2.92Å; W569-L572 HydrophobicContact CE3-CD2 3.65Å; W569-L572 HydrophobicContact CZ3-CD2 3.67Å; W569-R573 WeakPolarHBondContact O-CB 3.36Å; W569-R573 WeakPolarHBondContact O-CD 3.27Å; W569-R573 WeakPolarHBondContact O-CG 3.45Å; W569-R573 PolarHBondContact O-N 3.34Å; W569-Y583 HydrophobicContact CE3-CE1 4.47Å; W569-Y583 AromaticContact CH2-CD1 3.91Å; W569-Y583 HydrophobicContact CH2-CD1 3.91Å; W569-Y583 AromaticContact CH2-CE1 3.28Å; W569-Y583 HydrophobicContact CH2-CE1 3.28Å; W569-Y583 AromaticContact CH2-CZ 3.71Å; W569-Y583 HydrophobicContact CZ2-CE1 4.22Å; W569-Y583 AromaticContact CZ3-CD1 3.62Å; W569-Y583 HydrophobicContact CZ3-CD1 3.62Å; W569-Y583 AromaticContact CZ3-CE1 3.44Å; W569-Y583 HydrophobicContact CZ3-CE1 3.44Å; W569-Y583 VanDerWaalsContact CZ3-CE1 3.44Å
570	T	91.7	Very high	90.8	Very high	54 Å²	54	60.9 Å²	60.9	33%	0.331	29%	0.288	S	S	.	.	H	α-helix	trans	-72.6	-34.9	172.8	52.4	0	0	0	0	112.4	E566 E567 T568 R573 R574	E566-T570 WeakPolarHBondContact O-CB 3.35Å; E566-T570 VanDerWaalsContact O-CG2 3.28Å; E566-T570 WeakPolarHBondContact O-CG2 3.41Å; E566-T570 PolarHBondContact O-N 3.14Å; E566-T570 PolarHBondContact O-OG1 3.32Å; E567-T570 PolarHBondContact O-OG1 2.61Å; T568-T570 PolarHBondContact O-N 3.47Å; T570-R573 PolarHBondContact O-N 2.98Å; T570-R574 WeakPolarHBondContact O-CG 3.38Å; T570-R574 PolarHBondContact O-N 3.28Å; T570-R574 VanDerWaalsContact O-N 3.09Å
571	T	91.9	Very high	91	Very high	18 Å²	18	57.8 Å²	57.8	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-43.1	172.3	-56.7	0	0	0	0	111.4	A527 E567 T568 R573 R574 N575	A527-T571 HydrophobicContact CB-CG2 3.69Å; E567-T571 VanDerWaalsContact O-CB 3.31Å; E567-T571 WeakPolarHBondContact O-CB 3.46Å; E567-T571 PolarHBondContact O-N 3.26Å; E567-T571 PolarHBondContact O-OG1 3.31Å; T568-T571 PolarHBondContact O-N 3.33Å; T571-R573 PolarHBondContact O-N 3.21Å; T571-R574 PolarHBondContact O-N 3.32Å; T571-N575 PolarHBondContact O-N 3.46Å
572	L	92.4	Very high	91.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.2	-50	171.4	-176.5	81.4	0	0	0	111.2	L530 N531 I534 T568 W569 R574 N575 Y576 A580	L530-L572 HydrophobicContact CD2-CB 4.38Å; L530-L572 HydrophobicContact CD2-CD2 4.01Å; L530-L572 HydrophobicContact CG-CD1 4.42Å; L530-L572 HydrophobicContact CG-CD2 4.29Å; N531-L572 HydrophobicContact CB-CD1 3.62Å; I534-L572 HydrophobicContact CD1-CD2 3.65Å; T568-L572 PolarHBondContact O-N 3.48Å; W569-L572 HydrophobicContact CE3-CD2 3.65Å; W569-L572 HydrophobicContact CZ3-CD2 3.67Å; L572-R574 PolarHBondContact O-N 3.19Å; L572-N575 PolarHBondContact O-N 2.99Å; L572-Y576 HydrophobicContact CD1-CD2 4.13Å; L572-Y576 CarbonylContact O-C 3.52Å; L572-Y576 VanDerWaalsContact O-C 3.28Å; L572-Y576 WeakPolarHBondContact O-CA 3.41Å; L572-Y576 PolarHBondContact O-N 3.23Å; L572-A580 HydrophobicContact CD2-CB 4.03Å; L572-A580 HydrophobicContact CG-CB 4.23Å
573	R	92.8	Very high	91.2	Very high	113 Å²	113	57.6 Å²	57.6	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-22.7	179.6	-72.3	167.9	-169.1	134.2	2.5	113.9	W569 T570 T571 T577 A580 E584	W569-R573 WeakPolarHBondContact O-CB 3.36Å; W569-R573 WeakPolarHBondContact O-CD 3.27Å; W569-R573 WeakPolarHBondContact O-CG 3.45Å; W569-R573 PolarHBondContact O-N 3.34Å; T570-R573 PolarHBondContact O-N 2.98Å; T571-R573 PolarHBondContact O-N 3.21Å; R573-T577 WeakPolarHBondContact O-CG2 3.3Å; R573-A580 HydrophobicContact CG-CB 3.89Å; R573-E584 IonicContact NH2-OE1 3.57Å; R573-E584 PolarHBondContact NH2-OE1 2.91Å
574	R	92.3	Very high	91.2	Very high	190 Å²	190	58.2 Å²	58.2	72%	0.717	27%	0.271	S	S	*	.	H	α-helix	trans	-83.5	-50.5	175	-73.3	169.8	-180	169.3	1.7	112.1	T570 T571 L572	T570-R574 WeakPolarHBondContact O-CG 3.38Å; T570-R574 PolarHBondContact O-N 3.28Å; T570-R574 VanDerWaalsContact O-N 3.09Å; T571-R574 PolarHBondContact O-N 3.32Å; L572-R574 PolarHBondContact O-N 3.19Å
575	N	92.2	Very high	91.3	Very high	90 Å²	90	62.4 Å²	62.4	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-87.2	-28.6	-170.1	-62	4.7	0	0	0	112.6	T571 L572	T571-N575 PolarHBondContact O-N 3.46Å; L572-N575 PolarHBondContact O-N 2.99Å
576	Y	92.4	Very high	91.3	Very high	81 Å²	81	66.5 Å²	66.5	32%	0.318	31%	0.312	S	S	.	.			trans	-133.5	54.8	-174.5	-54.3	-76.1	0	0	0	110.7	N531 L572 Q578 T579 A580	N531-Y576 HydrophobicContact CB-CD1 4.38Å; N531-Y576 HydrophobicContact CB-CD2 3.8Å; N531-Y576 HydrophobicContact CB-CE2 4.08Å; N531-Y576 HydrophobicContact CB-CG 3.95Å; N531-Y576 WeakPolarHBondContact OD1-CB 3.44Å; L572-Y576 HydrophobicContact CD1-CD2 4.13Å; L572-Y576 CarbonylContact O-C 3.52Å; L572-Y576 VanDerWaalsContact O-C 3.28Å; L572-Y576 WeakPolarHBondContact O-CA 3.41Å; L572-Y576 PolarHBondContact O-N 3.23Å; Y576-Q578 VanDerWaalsContact C-N 3.28Å; Y576-Q578 PolarHBondContact O-N 2.83Å; Y576-T579 WeakPolarHBondContact CB-OG1 3.49Å; Y576-T579 PolarHBondContact O-N 3.31Å; Y576-T579 PolarHBondContact O-OG1 3.11Å; Y576-T579 VanDerWaalsContact O-OG1 3.11Å; Y576-A580 PolarHBondContact O-N 3.19Å; Y576-A580 VanDerWaalsContact O-N 3.12Å
577	T	92.6	Very high	91.4	Very high	80 Å²	80	61.4 Å²	61.4	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-46	-48.3	-179.6	49.4	0	0	0	0	113.1	R573 A580 I581	R573-T577 WeakPolarHBondContact O-CG2 3.3Å; T577-A580 PolarHBondContact O-N 2.9Å; T577-I581 WeakPolarHBondContact O-CB 3.3Å; T577-I581 WeakPolarHBondContact O-CD1 3.32Å; T577-I581 WeakPolarHBondContact O-CG1 3.22Å; T577-I581 PolarHBondContact O-N 2.73Å
578	Q	91.3	Very high	91.4	Very high	125 Å²	125	59.5 Å²	59.5	58%	0.584	28%	0.278	S	S	*	.	H	α-helix	trans	-67.8	-37.3	-173.6	-174.8	59.2	20.5	0	0	113.6	Y576 S582	Y576-Q578 VanDerWaalsContact C-N 3.28Å; Y576-Q578 PolarHBondContact O-N 2.83Å; Q578-S582 WeakPolarHBondContact O-CB 3.02Å; Q578-S582 PolarHBondContact O-N 2.89Å; Q578-S582 PolarHBondContact O-OG 2.86Å
579	T	91.1	Very high	91.4	Very high	17 Å²	17	62.7 Å²	62.7	10%	0.104	30%	0.299	C	S	.	.	H	α-helix	trans	-77.4	-36.5	178	59.1	0	0	0	0	110.9	N531 L535 Y576 I581 S582 Y583	N531-T579 WeakPolarHBondContact OD1-CB 3.44Å; N531-T579 VanDerWaalsContact OD1-CG2 3.27Å; N531-T579 WeakPolarHBondContact OD1-CG2 3.21Å; N531-T579 PolarHBondContact OD1-OG1 3.08Å; L535-T579 HydrophobicContact CD1-CG2 4.47Å; L535-T579 HydrophobicContact CD2-CG2 3.71Å; L535-T579 HydrophobicContact CG-CG2 4Å; Y576-T579 WeakPolarHBondContact CB-OG1 3.49Å; Y576-T579 PolarHBondContact O-N 3.31Å; Y576-T579 PolarHBondContact O-OG1 3.11Å; Y576-T579 VanDerWaalsContact O-OG1 3.11Å; T579-I581 PolarHBondContact O-N 3.43Å; T579-S582 PolarHBondContact O-N 2.95Å; T579-Y583 WeakPolarHBondContact O-CB 3.19Å; T579-Y583 PolarHBondContact O-N 3.11Å
580	A	91.7	Very high	91.2	Very high	8 Å²	8	63.5 Å²	63.5	7%	0.066	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-42.2	170.6	0	0	0	0	0	112.2	L572 R573 Y576 T577 Y583 E584	L572-A580 HydrophobicContact CD2-CB 4.03Å; L572-A580 HydrophobicContact CG-CB 4.23Å; R573-A580 HydrophobicContact CG-CB 3.89Å; Y576-A580 PolarHBondContact O-N 3.19Å; Y576-A580 VanDerWaalsContact O-N 3.12Å; T577-A580 PolarHBondContact O-N 2.9Å; A580-Y583 PolarHBondContact O-N 3.21Å; A580-E584 WeakPolarHBondContact O-CG 3.28Å; A580-E584 PolarHBondContact O-N 2.72Å; A580-E584 VanDerWaalsContact O-N 3.15Å
581	I	92.6	Very high	91	Very high	80 Å²	80	62.5 Å²	62.5	41%	0.41	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-42.1	173.3	-70.5	164.5	0	0	0	110.9	T577 T579 K585	T577-I581 WeakPolarHBondContact O-CB 3.3Å; T577-I581 WeakPolarHBondContact O-CD1 3.32Å; T577-I581 WeakPolarHBondContact O-CG1 3.22Å; T577-I581 PolarHBondContact O-N 2.73Å; T579-I581 PolarHBondContact O-N 3.43Å; I581-K585 HydrophobicContact CG2-CD 4.06Å; I581-K585 HydrophobicContact CG2-CG 4.42Å; I581-K585 VanDerWaalsContact O-CB 3.3Å; I581-K585 WeakPolarHBondContact O-CB 3.32Å; I581-K585 PolarHBondContact O-N 3.08Å
582	S	91.2	Very high	90.7	Very high	4 Å²	4	67.1 Å²	67.1	3%	0.028	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-39.4	179	-58.6	0	0	0	0	111.9	Q578 T579 I586 L587	Q578-S582 WeakPolarHBondContact O-CB 3.02Å; Q578-S582 PolarHBondContact O-N 2.89Å; Q578-S582 PolarHBondContact O-OG 2.86Å; T579-S582 PolarHBondContact O-N 2.95Å; S582-I586 CarbonylContact O-C 3.28Å; S582-I586 VanDerWaalsContact O-CA 3.32Å; S582-I586 WeakPolarHBondContact O-CA 3.48Å; S582-I586 WeakPolarHBondContact O-CB 3.33Å; S582-I586 PolarHBondContact O-N 2.97Å; S582-L587 PolarHBondContact O-N 3.04Å
583	Y	91.4	Very high	90.3	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.008	32%	0.322	C	S	.	.	I	π-helix	trans	-60.7	-55.3	174.4	174.8	-117.7	0	0	0	112	I534 M554 L557 D558 W569 T579 A580 L587 K588	I534-Y583 HydrophobicContact CD1-CG 4.19Å; I534-Y583 HydrophobicContact CG1-CD2 4.32Å; I534-Y583 HydrophobicContact CG1-CG 4.39Å; M554-Y583 HydrophobicContact CE-CD2 4.2Å; M554-Y583 HydrophobicContact CE-CE2 3.68Å; M554-Y583 HydrophobicContact SD-CD2 4.26Å; M554-Y583 HydrophobicContact SD-CE2 3.98Å; L557-Y583 HydrophobicContact CB-CE2 3.95Å; L557-Y583 WeakPolarHBondContact CB-OH 3.22Å; L557-Y583 HydrophobicContact CD1-CD2 4.11Å; L557-Y583 HydrophobicContact CD1-CE2 3.62Å; L557-Y583 HydrophobicContact CG-CE2 4.42Å; D558-Y583 PolarHBondContact OD1-OH 3.23Å; D558-Y583 VanDerWaalsContact OD1-OH 3.14Å; W569-Y583 HydrophobicContact CE3-CE1 4.47Å; W569-Y583 AromaticContact CH2-CD1 3.91Å; W569-Y583 HydrophobicContact CH2-CD1 3.91Å; W569-Y583 AromaticContact CH2-CE1 3.28Å; W569-Y583 HydrophobicContact CH2-CE1 3.28Å; W569-Y583 AromaticContact CH2-CZ 3.71Å; W569-Y583 HydrophobicContact CZ2-CE1 4.22Å; W569-Y583 AromaticContact CZ3-CD1 3.62Å; W569-Y583 HydrophobicContact CZ3-CD1 3.62Å; W569-Y583 AromaticContact CZ3-CE1 3.44Å; W569-Y583 HydrophobicContact CZ3-CE1 3.44Å; W569-Y583 VanDerWaalsContact CZ3-CE1 3.44Å; T579-Y583 WeakPolarHBondContact O-CB 3.19Å; T579-Y583 PolarHBondContact O-N 3.11Å; A580-Y583 PolarHBondContact O-N 3.21Å; Y583-L587 HydrophobicContact CD2-CB 4.32Å; Y583-L587 HydrophobicContact CD2-CD1 4.32Å; Y583-L587 PolarHBondContact O-N 2.9Å; Y583-K588 HydrophobicContact CE1-CD 4.45Å; Y583-K588 HydrophobicContact CE2-CG 4.26Å; Y583-K588 PolarHBondContact O-N 3.02Å; Y583-K588 VanDerWaalsContact OH-CE 3.27Å; Y583-K588 WeakPolarHBondContact OH-CE 3.49Å
584	E	90.6	Very high	89.9	Confident	70 Å²	70	64 Å²	64	33%	0.327	31%	0.306	S	S	.	.	I	π-helix	trans	-71	-34.5	-175.7	-60	-74	-170.4	0	0	113.1	R573 A580 K588	R573-E584 IonicContact NH2-OE1 3.57Å; R573-E584 PolarHBondContact NH2-OE1 2.91Å; A580-E584 WeakPolarHBondContact O-CG 3.28Å; A580-E584 PolarHBondContact O-N 2.72Å; A580-E584 VanDerWaalsContact O-N 3.15Å; E584-K588 IonicContact OE1-NZ 2.72Å; E584-K588 WeakPolarHBondContact OE2-CD 3.49Å; E584-K588 WeakPolarHBondContact OE2-CE 3.27Å; E584-K588 IonicContact OE2-NZ 3.4Å; E584-K588 PolarHBondContact OE2-NZ 3.13Å
585	K	91.3	Very high	89.3	Confident	157 Å²	157	56.5 Å²	56.5	68%	0.683	28%	0.278	S	S	*	.	I	π-helix	trans	-100.9	-20.3	-175.2	-61.8	-167	-178.6	-177.5	0	115.8	I581	I581-K585 HydrophobicContact CG2-CD 4.06Å; I581-K585 HydrophobicContact CG2-CG 4.42Å; I581-K585 VanDerWaalsContact O-CB 3.3Å; I581-K585 WeakPolarHBondContact O-CB 3.32Å; I581-K585 PolarHBondContact O-N 3.08Å
586	I	89.4	Confident	88.7	Confident	85 Å²	85	54.5 Å²	54.5	44%	0.436	27%	0.266	S	S	.	.	I	π-helix	trans	-122.1	-40.5	-173.1	-50.8	175.8	0	0	0	111.9	K541 S582 F590	K541-I586 PolarHBondContact NZ-O 3.28Å; S582-I586 CarbonylContact O-C 3.28Å; S582-I586 VanDerWaalsContact O-CA 3.32Å; S582-I586 WeakPolarHBondContact O-CA 3.48Å; S582-I586 WeakPolarHBondContact O-CB 3.33Å; S582-I586 PolarHBondContact O-N 2.97Å; I586-F590 WeakPolarHBondContact O-CB 3.38Å
587	L	89.1	Confident	87.8	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.267	C	S	.	.	I	π-helix	trans	-83.6	-51.7	-178.2	-56.9	-172.9	0	0	0	112.3	I534 A537 M538 K541 F550 M554 S582 Y583 F590 Y591	I534-L587 HydrophobicContact CG2-CD1 4.17Å; A537-L587 HydrophobicContact CB-CD1 4.06Å; M538-L587 HydrophobicContact CG-CD1 3.97Å; M538-L587 HydrophobicContact CG-CD2 4.08Å; M538-L587 HydrophobicContact CG-CG 4.37Å; K541-L587 HydrophobicContact CD-CD2 4.07Å; F550-L587 HydrophobicContact CE2-CB 4.38Å; F550-L587 HydrophobicContact CE2-CD2 3.96Å; F550-L587 HydrophobicContact CZ-CB 4.41Å; F550-L587 HydrophobicContact CZ-CD2 4.39Å; M554-L587 HydrophobicContact CE-CB 3.99Å; M554-L587 HydrophobicContact SD-CB 3.77Å; M554-L587 HydrophobicContact SD-CD1 4.25Å; S582-L587 PolarHBondContact O-N 3.04Å; Y583-L587 HydrophobicContact CD2-CB 4.32Å; Y583-L587 HydrophobicContact CD2-CD1 4.32Å; Y583-L587 PolarHBondContact O-N 2.9Å; L587-F590 PolarHBondContact O-N 3.07Å; L587-Y591 VanDerWaalsContact O-CB 3.3Å; L587-Y591 WeakPolarHBondContact O-CB 3.49Å; L587-Y591 PolarHBondContact O-N 3.22Å
588	K	89.8	Confident	86.4	Confident	62 Å²	62	53.8 Å²	53.8	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-47.7	178.6	-79.1	-173.5	-175.6	167.7	0	114	M554 D558 Y583 E584 F590 Y591 K592	M554-K588 HydrophobicContact CE-CG 3.88Å; D558-K588 VanDerWaalsContact OD1-CE 3.29Å; D558-K588 WeakPolarHBondContact OD1-CE 3.49Å; Y583-K588 HydrophobicContact CE1-CD 4.45Å; Y583-K588 HydrophobicContact CE2-CG 4.26Å; Y583-K588 PolarHBondContact O-N 3.02Å; Y583-K588 VanDerWaalsContact OH-CE 3.27Å; Y583-K588 WeakPolarHBondContact OH-CE 3.49Å; E584-K588 IonicContact OE1-NZ 2.72Å; E584-K588 WeakPolarHBondContact OE2-CD 3.49Å; E584-K588 WeakPolarHBondContact OE2-CE 3.27Å; E584-K588 IonicContact OE2-NZ 3.4Å; E584-K588 PolarHBondContact OE2-NZ 3.13Å; K588-F590 VanDerWaalsContact C-N 3.32Å; K588-F590 PolarHBondContact O-N 2.98Å; K588-Y591 PolarHBondContact O-N 2.69Å; K588-K592 PolarHBondContact O-N 3.47Å
589	P	89.8	Confident	85	Confident	67 Å²	67	49.1 Å²	49.1	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-35.7	179.8	-23.7	36.9	0	0	0	112.5	S593	P589-S593 WeakPolarHBondContact O-CB 3.28Å; P589-S593 PolarHBondContact O-N 3.19Å
590	F	87.6	Confident	83.3	Confident	28 Å²	28	53.3 Å²	53.3	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-42.5	174.8	177.9	-108	0	0	0	112.2	K541 L547 F550 I586 L587 K588 S593 L594 A599	K541-F590 HydrophobicContact CD-CD1 3.54Å; K541-F590 HydrophobicContact CD-CE1 3.56Å; K541-F590 HydrophobicContact CD-CG 4.18Å; K541-F590 HydrophobicContact CD-CZ 4.23Å; K541-F590 VanDerWaalsContact CE-CE1 3.45Å; K541-F590 HydrophobicContact CG-CD1 4.13Å; K541-F590 HydrophobicContact CG-CE1 3.61Å; K541-F590 HydrophobicContact CG-CZ 4.13Å; K541-F590 VanDerWaalsContact NZ-CG 3.28Å; L547-F590 HydrophobicContact CD2-CE1 4.14Å; L547-F590 HydrophobicContact CD2-CZ 4.05Å; F550-F590 HydrophobicContact CD1-CD1 4.48Å; F550-F590 HydrophobicContact CD1-CE1 4.25Å; F550-F590 AromaticContact CE1-CD1 3.61Å; F550-F590 HydrophobicContact CE1-CD1 3.61Å; F550-F590 AromaticContact CE1-CE1 3.8Å; F550-F590 HydrophobicContact CE1-CE1 3.8Å; F550-F590 AromaticContact CZ-CD1 3.84Å; F550-F590 HydrophobicContact CZ-CD1 3.84Å; F550-F590 HydrophobicContact CZ-CE1 4.34Å; I586-F590 WeakPolarHBondContact O-CB 3.38Å; L587-F590 PolarHBondContact O-N 3.07Å; K588-F590 VanDerWaalsContact C-N 3.32Å; K588-F590 PolarHBondContact O-N 2.98Å; F590-S593 PolarHBondContact O-N 2.98Å; F590-L594 HydrophobicContact CD1-CD1 3.79Å; F590-L594 HydrophobicContact CD1-CG 4.47Å; F590-L594 HydrophobicContact CE1-CD1 3.44Å; F590-L594 VanDerWaalsContact CE1-CD1 3.44Å; F590-L594 HydrophobicContact CE1-CG 4.19Å; F590-L594 HydrophobicContact CE2-CD1 4.45Å; F590-L594 HydrophobicContact CE2-CG 4.34Å; F590-L594 HydrophobicContact CG-CD1 4.45Å; F590-L594 HydrophobicContact CZ-CD1 3.81Å; F590-L594 HydrophobicContact CZ-CD2 4.31Å; F590-L594 HydrophobicContact CZ-CG 4.12Å; F590-L594 WeakPolarHBondContact O-CB 3.36Å; F590-L594 WeakPolarHBondContact O-CG 3.08Å; F590-L594 PolarHBondContact O-N 2.85Å; F590-A599 HydrophobicContact CD2-CB 4.35Å; F590-A599 HydrophobicContact CE2-CB 4.21Å
591	Y	87.2	Confident	81.6	Confident	33 Å²	33	57.3 Å²	57.3	13%	0.129	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-45.4	173.4	178.3	-102.8	0	0	0	111.5	F550 M554 L587 K588 L594 Y595	F550-Y591 HydrophobicContact CE1-CD2 4.29Å; M554-Y591 HydrophobicContact CB-CD1 4.38Å; M554-Y591 HydrophobicContact CB-CD2 3.35Å; M554-Y591 HydrophobicContact CB-CE1 4.49Å; M554-Y591 HydrophobicContact CB-CE2 3.48Å; M554-Y591 VanDerWaalsContact CB-CE2 3.48Å; M554-Y591 HydrophobicContact CB-CG 3.84Å; M554-Y591 HydrophobicContact CE-CG 4.28Å; M554-Y591 HydrophobicContact CG-CD2 3.8Å; M554-Y591 HydrophobicContact CG-CE2 4.4Å; M554-Y591 HydrophobicContact CG-CG 4.15Å; L587-Y591 VanDerWaalsContact O-CB 3.3Å; L587-Y591 WeakPolarHBondContact O-CB 3.49Å; L587-Y591 PolarHBondContact O-N 3.22Å; K588-Y591 PolarHBondContact O-N 2.69Å; Y591-L594 PolarHBondContact O-N 3.12Å; Y591-Y595 HydrophobicContact CD2-CD2 4.46Å; Y591-Y595 AromaticContact CD2-CE2 3.98Å; Y591-Y595 HydrophobicContact CD2-CE2 3.98Å; Y591-Y595 HydrophobicContact CE1-CE2 4.24Å; Y591-Y595 HydrophobicContact CE2-CD2 4.24Å; Y591-Y595 AromaticContact CE2-CE2 3.4Å; Y591-Y595 HydrophobicContact CE2-CE2 3.4Å; Y591-Y595 AromaticContact CZ-CE2 3.54Å; Y591-Y595 AromaticContact CZ-CZ 3.95Å; Y591-Y595 WeakPolarHBondContact O-CD2 3.46Å; Y591-Y595 PolarHBondContact O-N 3.45Å; Y591-Y595 PolarHBondContact OH-OH 3.37Å
592	K	86.1	Confident	80.1	Confident	115 Å²	115	55 Å²	55	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-53.2	174.1	-168.4	-175.8	176.7	-84.2	0	111.6	K588 L594 Y595 E596	K588-K592 PolarHBondContact O-N 3.47Å; K592-L594 VanDerWaalsContact C-N 3.26Å; K592-L594 PolarHBondContact O-N 3.42Å; K592-Y595 PolarHBondContact O-N 3.09Å; K592-E596 WeakPolarHBondContact CG-OE2 3.42Å; K592-E596 IonicContact NZ-OE1 3.35Å; K592-E596 PolarHBondContact NZ-OE1 3.08Å; K592-E596 IonicContact NZ-OE2 3.23Å; K592-E596 PolarHBondContact NZ-OE2 3.24Å; K592-E596 WeakPolarHBondContact O-CG 3.35Å; K592-E596 PolarHBondContact O-N 3.02Å
593	S	84.9	Confident	78.4	Confident	30 Å²	30	61 Å²	61	21%	0.21	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-31.4	-178.9	-177.7	0	0	0	0	113.4	P589 F590 E596 G597 E598 A599	P589-S593 WeakPolarHBondContact O-CB 3.28Å; P589-S593 PolarHBondContact O-N 3.19Å; F590-S593 PolarHBondContact O-N 2.98Å; S593-E596 PolarHBondContact O-N 3.41Å; S593-G597 PolarHBondContact O-N 3.4Å; S593-G597 VanDerWaalsContact O-N 3.17Å; S593-E598 PolarHBondContact O-N 3.35Å; S593-A599 PolarHBondContact O-N 2.92Å; S593-A599 WeakPolarHBondContact OG-CA 3.41Å; S593-A599 PolarHBondContact OG-N 3.29Å; S593-A599 VanDerWaalsContact OG-N 3.13Å
594	L	82.6	Confident	77	Confident	19 Å²	19	63.9 Å²	63.9	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-42.4	171.9	-84.2	169.2	0	0	0	112.3	L547 F550 F590 Y591 K592 G597 A599 L609 H643	L547-L594 HydrophobicContact CD1-CD2 4.11Å; L547-L594 HydrophobicContact CD2-CD1 4.45Å; F550-L594 HydrophobicContact CD1-CD1 4.16Å; F550-L594 HydrophobicContact CE1-CD1 3.93Å; F590-L594 HydrophobicContact CD1-CD1 3.79Å; F590-L594 HydrophobicContact CD1-CG 4.47Å; F590-L594 HydrophobicContact CE1-CD1 3.44Å; F590-L594 VanDerWaalsContact CE1-CD1 3.44Å; F590-L594 HydrophobicContact CE1-CG 4.19Å; F590-L594 HydrophobicContact CE2-CD1 4.45Å; F590-L594 HydrophobicContact CE2-CG 4.34Å; F590-L594 HydrophobicContact CG-CD1 4.45Å; F590-L594 HydrophobicContact CZ-CD1 3.81Å; F590-L594 HydrophobicContact CZ-CD2 4.31Å; F590-L594 HydrophobicContact CZ-CG 4.12Å; F590-L594 WeakPolarHBondContact O-CB 3.36Å; F590-L594 WeakPolarHBondContact O-CG 3.08Å; F590-L594 PolarHBondContact O-N 2.85Å; Y591-L594 PolarHBondContact O-N 3.12Å; K592-L594 VanDerWaalsContact C-N 3.26Å; K592-L594 PolarHBondContact O-N 3.42Å; L594-G597 PolarHBondContact O-N 2.93Å; L594-A599 HydrophobicContact CB-CB 4.36Å; L594-A599 HydrophobicContact CD2-CB 3.82Å; L594-A599 HydrophobicContact CG-CB 3.81Å; L594-L609 HydrophobicContact CB-CD2 3.76Å; L594-H643 PolarHBondContact O-CE1 3.49Å
595	Y	79.9	Confident	76	Confident	32 Å²	32	61.3 Å²	61.3	13%	0.125	35%	0.347	C	S	.	.	H	α-helix	trans	-74.7	-25.6	177.3	-82.3	-110	0	0	0	112.9	Y591 K592 L609 L611 P612 L629 I639 H643	Y591-Y595 HydrophobicContact CD2-CD2 4.46Å; Y591-Y595 AromaticContact CD2-CE2 3.98Å; Y591-Y595 HydrophobicContact CD2-CE2 3.98Å; Y591-Y595 HydrophobicContact CE1-CE2 4.24Å; Y591-Y595 HydrophobicContact CE2-CD2 4.24Å; Y591-Y595 AromaticContact CE2-CE2 3.4Å; Y591-Y595 HydrophobicContact CE2-CE2 3.4Å; Y591-Y595 AromaticContact CZ-CE2 3.54Å; Y591-Y595 AromaticContact CZ-CZ 3.95Å; Y591-Y595 WeakPolarHBondContact O-CD2 3.46Å; Y591-Y595 PolarHBondContact O-N 3.45Å; Y591-Y595 PolarHBondContact OH-OH 3.37Å; K592-Y595 PolarHBondContact O-N 3.09Å; Y595-L609 HydrophobicContact CD2-CD2 3.87Å; Y595-L609 HydrophobicContact CE2-CD2 3.9Å; Y595-L611 WeakPolarHBondContact OH-CD2 3.36Å; Y595-P612 HydrophobicContact CD1-CG 4.15Å; Y595-P612 HydrophobicContact CE1-CG 4.32Å; Y595-L629 HydrophobicContact CD1-CD1 4.12Å; Y595-L629 HydrophobicContact CG-CD1 4.22Å; Y595-I639 WeakPolarHBondContact O-CG2 3.4Å; Y595-H643 PolarHBondContact O-NE2 3.43Å
596	E	80.5	Confident	74.7	Confident	47 Å²	47	53.8 Å²	53.8	22%	0.22	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.4	172.5	-63.7	175.9	132.2	0	0	112.7	K592 S593 E598 R642	K592-E596 WeakPolarHBondContact CG-OE2 3.42Å; K592-E596 IonicContact NZ-OE1 3.35Å; K592-E596 PolarHBondContact NZ-OE1 3.08Å; K592-E596 IonicContact NZ-OE2 3.23Å; K592-E596 PolarHBondContact NZ-OE2 3.24Å; K592-E596 WeakPolarHBondContact O-CG 3.35Å; K592-E596 PolarHBondContact O-N 3.02Å; S593-E596 PolarHBondContact O-N 3.41Å; E596-E598 VanDerWaalsContact C-N 3.3Å; E596-E598 HydrophobicContact CB-CG 4.4Å; E596-E598 PolarHBondContact O-N 3.06Å; E596-R642 WeakPolarHBondContact O-CD 3.44Å; E596-R642 PolarHBondContact O-NH1 3.01Å
597	G	72.4	Confident	73.9	Confident	33 Å²	33	49.8 Å²	49.8	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	20.3	-179.7	0	0	0	0	0	113.8	S593 L594	S593-G597 PolarHBondContact O-N 3.4Å; S593-G597 VanDerWaalsContact O-N 3.17Å; L594-G597 PolarHBondContact O-N 2.93Å
598	E	63.8	Low	73.4	Confident	114 Å²	114	50.3 Å²	50.3	53%	0.533	30%	0.298	S	S	.	.			trans	-109.1	-8.3	-176.6	-58.6	-168.2	174.6	0	0	113.5	S593 E596 S600 R642	S593-E598 PolarHBondContact O-N 3.35Å; E596-E598 VanDerWaalsContact C-N 3.3Å; E596-E598 HydrophobicContact CB-CG 4.4Å; E596-E598 PolarHBondContact O-N 3.06Å; E598-S600 PolarHBondContact O-N 3.21Å; E598-R642 IonicContact OE1-CZ 3.16Å; E598-R642 IonicContact OE1-NH1 3.35Å; E598-R642 PolarHBondContact OE1-NH1 3.19Å; E598-R642 IonicContact OE1-NH2 3.43Å; E598-R642 PolarHBondContact OE1-NH2 3.3Å
599	A	61.6	Low	72.9	Confident	26 Å²	26	48.5 Å²	48.5	22%	0.215	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-68.9	127.1	180	0	0	0	0	0	111.4	F590 S593 L594 S601	F590-A599 HydrophobicContact CD2-CB 4.35Å; F590-A599 HydrophobicContact CE2-CB 4.21Å; S593-A599 PolarHBondContact O-N 2.92Å; S593-A599 WeakPolarHBondContact OG-CA 3.41Å; S593-A599 PolarHBondContact OG-N 3.29Å; S593-A599 VanDerWaalsContact OG-N 3.13Å; L594-A599 HydrophobicContact CB-CB 4.36Å; L594-A599 HydrophobicContact CD2-CB 3.82Å; L594-A599 HydrophobicContact CG-CB 3.81Å; A599-S601 PolarHBondContact O-N 2.9Å
600	S	56	Low	72.4	Confident	106 Å²	106	45.6 Å²	45.6	74%	0.741	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-61	131.2	163.4	46.6	0	0	0	0	109.9	E598	E598-S600 PolarHBondContact O-N 3.21Å
601	S	57	Low	72.1	Confident	91 Å²	91	44.9 Å²	44.9	64%	0.636	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-62	137.3	173.3	40.6	0	0	0	0	110.1	A599	A599-S601 PolarHBondContact O-N 2.9Å
602	P	60.9	Low	71.9	Confident	33 Å²	33	43.4 Å²	43.4	21%	0.214	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.1	155.1	168.8	27.2	-33.7	0	0	0	110	L547 V604 V605	L547-P602 HydrophobicContact CD2-CG 4.38Å; P602-V604 PolarHBondContact O-N 2.92Å; P602-V605 HydrophobicContact CG-CG2 3.73Å
603	S	55.7	Low	71.8	Confident	130 Å²	130	38.4 Å²	38.4	91%	0.909	24%	0.242	S	C	*	.	S	Bend	trans	-58.7	-20.8	-171.9	47.7	0	0	0	0	114.9
604	V	61.9	Low	71.8	Confident	61 Å²	61	37 Å²	37	37%	0.37	23%	0.232	S	C	.	.			trans	-132	96.7	169.3	-170.1	0	0	0	0	109.3	G545 P602 N660 I664	G545-V604 VanDerWaalsContact CA-O 3.27Å; G545-V604 WeakPolarHBondContact CA-O 3.36Å; P602-V604 PolarHBondContact O-N 2.92Å; V604-N660 HydrophobicContact CG1-CB 4.09Å; V604-I664 HydrophobicContact CG1-CD1 3.93Å
605	V	67.9	Low	71.7	Confident	16 Å²	16	36.6 Å²	36.6	10%	0.097	23%	0.231	C	C	.	.			trans	-90.1	129	163.5	-179.9	0	0	0	0	108.2	L547 P602 Y657	L547-V605 HydrophobicContact CD1-CG1 4.19Å; L547-V605 HydrophobicContact CD1-CG2 4.16Å; P602-V605 HydrophobicContact CG-CG2 3.73Å; V605-Y657 HydrophobicContact CB-CE1 4.02Å; V605-Y657 HydrophobicContact CG1-CD1 4.17Å; V605-Y657 HydrophobicContact CG1-CE1 3.72Å; V605-Y657 WeakPolarHBondContact O-CD1 3.42Å
606	C	64.8	Low	71.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-107.2	-29.3	170.8	-63.9	0	0	0	0	111.8	K459 G545 N660 A661	K459-C606 PolarHBondContact NZ-SG 3.4Å; G545-C606 PolarHBondContact O-N 2.82Å; C606-N660 VanDerWaalsContact SG-C 3.57Å; C606-N660 PolarHBondContact SG-O 3.1Å; C606-N660 VanDerWaalsContact SG-O 3.38Å; C606-A661 HydrophobicContact CB-CB 4.41Å
607	I	71.8	Confident	71.9	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-136.8	115.8	176.4	-48	-178.4	0	0	0	108.4	K459 L462 L463 G545 D546 L547 F548	K459-I607 HydrophobicContact CG-CD1 4.44Å; L462-I607 HydrophobicContact CB-CD1 4.15Å; L462-I607 HydrophobicContact CD2-CD1 3.62Å; L462-I607 HydrophobicContact CD2-CG2 4.13Å; L462-I607 HydrophobicContact CG-CD1 3.84Å; L463-I607 HydrophobicContact CD2-CD1 3.88Å; L463-I607 HydrophobicContact CD2-CG1 3.83Å; L463-I607 HydrophobicContact CG-CD1 3.86Å; L463-I607 HydrophobicContact CG-CG1 4.35Å; G545-I607 PolarHBondContact O-N 3.02Å; D546-I607 HydrophobicContact CB-CD1 4.33Å; L547-I607 WeakPolarHBondContact CB-O 3.31Å; L547-I607 PolarHBondContact N-O 3.33Å; F548-I607 HydrophobicContact CB-CG2 3.86Å
608	P	78.6	Confident	72.1	Confident	12 Å²	12	37 Å²	37	8%	0.078	23%	0.226	C	C	.	.			trans	-72.5	165.8	179.6	30.5	-34.8	0	0	0	111.9	L486 L610 V650	L486-P608 HydrophobicContact CD2-CG 3.97Å; P608-L610 HydrophobicContact CG-CD2 3.98Å; P608-L610 HydrophobicContact CG-CG 4.38Å; P608-L610 PolarHBondContact O-N 3.31Å; P608-V650 HydrophobicContact CB-CG2 3.7Å; P608-V650 HydrophobicContact CG-CB 4.44Å; P608-V650 HydrophobicContact CG-CG1 3.76Å; P608-V650 HydrophobicContact CG-CG2 3.72Å
609	L	79.5	Confident	72.1	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.126	24%	0.235	C	C	.	.			trans	-74.1	91.3	174.4	178.7	58	0	0	0	110.1	L547 S551 L594 Y595 L611 P612	L547-L609 HydrophobicContact CB-CB 4.21Å; S551-L609 WeakPolarHBondContact OG-CD1 3.46Å; L594-L609 HydrophobicContact CB-CD2 3.76Å; Y595-L609 HydrophobicContact CD2-CD2 3.87Å; Y595-L609 HydrophobicContact CE2-CD2 3.9Å; L609-L611 HydrophobicContact CD1-CB 4.36Å; L609-P612 HydrophobicContact CD2-CG 4.01Å; L609-P612 HydrophobicContact CG-CG 4.07Å
610	L	78.8	Confident	71.7	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.037	23%	0.233	C	C	.	.			trans	-75.4	-28.7	-178.9	-63.6	175.2	0	0	0	113.5	L486 V489 L501 F548 P608 L613 L614	L486-L610 HydrophobicContact CD2-CD1 4.11Å; L486-L610 HydrophobicContact CD2-CD2 4.08Å; V489-L610 HydrophobicContact CG1-CD2 4.49Å; L501-L610 HydrophobicContact CD1-CD1 3.97Å; F548-L610 HydrophobicContact CD2-CB 4.36Å; P608-L610 HydrophobicContact CG-CD2 3.98Å; P608-L610 HydrophobicContact CG-CG 4.38Å; P608-L610 PolarHBondContact O-N 3.31Å; L610-L613 WeakPolarHBondContact O-CB 3.48Å; L610-L613 PolarHBondContact O-N 3.44Å; L610-L614 HydrophobicContact CB-CD1 4.01Å; L610-L614 HydrophobicContact CB-CG 4.1Å; L610-L614 WeakPolarHBondContact O-CG 3.36Å; L610-L614 PolarHBondContact O-N 3.39Å
611	L	83.1	Confident	71.1	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-44.5	-166.4	-167	75.1	0	0	0	115.2	M502 H505 Y595 L609 L613 L614 T615	M502-L611 HydrophobicContact CG-CD1 4.23Å; H505-L611 HydrophobicContact CB-CD1 4.28Å; Y595-L611 WeakPolarHBondContact OH-CD2 3.36Å; L609-L611 HydrophobicContact CD1-CB 4.36Å; L611-L613 VanDerWaalsContact C-N 3.32Å; L611-L613 PolarHBondContact O-N 3.32Å; L611-L614 PolarHBondContact O-N 2.88Å; L611-L614 VanDerWaalsContact O-N 3.13Å; L611-T615 HydrophobicContact CD1-CG2 4.3Å; L611-T615 HydrophobicContact CG-CG2 4.32Å; L611-T615 PolarHBondContact O-N 3.49Å
612	P	82.4	Confident	70.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-42.1	176.2	-27.7	37.9	0	0	0	113.3	Y595 L609 L616 W630	Y595-P612 HydrophobicContact CD1-CG 4.15Å; Y595-P612 HydrophobicContact CE1-CG 4.32Å; L609-P612 HydrophobicContact CD2-CG 4.01Å; L609-P612 HydrophobicContact CG-CG 4.07Å; P612-L616 WeakPolarHBondContact O-CB 3.49Å; P612-L616 PolarHBondContact O-N 3.37Å; P612-L616 VanDerWaalsContact O-N 3.09Å; P612-W630 HydrophobicContact CB-CH2 4.31Å; P612-W630 HydrophobicContact CB-CZ3 4.02Å; P612-W630 WeakPolarHBondContact O-CH2 3.32Å
613	L	83.4	Confident	69.7	Low	10 Å²	10	40.4 Å²	40.4	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-43.4	174.9	178.7	71	0	0	0	111.3	V489 T490 L610 L611 L616 M617 L644 A647	V489-L613 HydrophobicContact CG1-CD2 3.98Å; T490-L613 HydrophobicContact CG2-CD2 4.47Å; L610-L613 WeakPolarHBondContact O-CB 3.48Å; L610-L613 PolarHBondContact O-N 3.44Å; L611-L613 VanDerWaalsContact C-N 3.32Å; L611-L613 PolarHBondContact O-N 3.32Å; L613-L616 PolarHBondContact O-N 3.43Å; L613-M617 HydrophobicContact CD1-CG 4.03Å; L613-M617 HydrophobicContact CD1-SD 3.72Å; L613-M617 HydrophobicContact CD2-SD 4.36Å; L613-M617 HydrophobicContact CG-CG 4.35Å; L613-M617 HydrophobicContact CG-SD 3.81Å; L613-M617 WeakPolarHBondContact O-CB 3.22Å; L613-M617 VanDerWaalsContact O-CG 3.28Å; L613-M617 WeakPolarHBondContact O-CG 3.27Å; L613-M617 PolarHBondContact O-N 3.38Å; L613-L644 HydrophobicContact CD1-CD2 3.96Å; L613-A647 HydrophobicContact CD1-CB 3.63Å; L613-A647 HydrophobicContact CD2-CB 3.51Å; L613-A647 HydrophobicContact CG-CB 4.12Å
614	L	84.2	Confident	69	Low	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-47.5	-178.4	-63.4	178.8	0	0	0	111.8	V489 R498 L501 M502 L610 L611 E618	V489-L614 HydrophobicContact CG1-CD2 3.79Å; R498-L614 HydrophobicContact CB-CD2 3.72Å; R498-L614 HydrophobicContact CG-CD2 3.51Å; L501-L614 HydrophobicContact CB-CD1 3.6Å; L501-L614 HydrophobicContact CD1-CD1 4.37Å; L501-L614 HydrophobicContact CD1-CD2 4.41Å; M502-L614 HydrophobicContact CG-CB 3.81Å; M502-L614 HydrophobicContact CG-CD1 4.06Å; M502-L614 HydrophobicContact SD-CB 4.06Å; L610-L614 HydrophobicContact CB-CD1 4.01Å; L610-L614 HydrophobicContact CB-CG 4.1Å; L610-L614 WeakPolarHBondContact O-CG 3.36Å; L610-L614 PolarHBondContact O-N 3.39Å; L611-L614 PolarHBondContact O-N 2.88Å; L611-L614 VanDerWaalsContact O-N 3.13Å; L614-E618 PolarHBondContact O-N 3.04Å
615	T	81.2	Confident	68.1	Low	12 Å²	12	36.5 Å²	36.5	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-73.9	-35.7	179.7	67.3	0	0	0	0	112	M502 L611 M617 R619 P620 E628 W630	M502-T615 HydrophobicContact SD-CG2 3.84Å; L611-T615 HydrophobicContact CD1-CG2 4.3Å; L611-T615 HydrophobicContact CG-CG2 4.32Å; L611-T615 PolarHBondContact O-N 3.49Å; T615-M617 VanDerWaalsContact C-N 3.34Å; T615-M617 PolarHBondContact O-N 2.9Å; T615-R619 VanDerWaalsContact O-CA 3.23Å; T615-R619 WeakPolarHBondContact O-CA 3.44Å; T615-R619 PolarHBondContact O-N 3.13Å; T615-P620 HydrophobicContact CG2-CG 4.18Å; T615-E628 WeakPolarHBondContact CB-OE1 3.39Å; T615-E628 PolarHBondContact OG1-OE1 2.98Å; T615-W630 WeakPolarHBondContact OG1-CH2 3.32Å; T615-W630 WeakPolarHBondContact OG1-CZ2 3.43Å
616	L	82.8	Confident	67.1	Low	26 Å²	26	38.7 Å²	38.7	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-41.8	172	175.6	59.5	0	0	0	112.7	P612 L613 W630 M640 L644	P612-L616 WeakPolarHBondContact O-CB 3.49Å; P612-L616 PolarHBondContact O-N 3.37Å; P612-L616 VanDerWaalsContact O-N 3.09Å; L613-L616 PolarHBondContact O-N 3.43Å; L616-W630 HydrophobicContact CB-CH2 4.38Å; L616-W630 HydrophobicContact CB-CZ2 4.33Å; L616-M640 HydrophobicContact CD1-CE 3.76Å; L616-M640 HydrophobicContact CD1-CG 4.24Å; L616-M640 HydrophobicContact CD2-CB 4.38Å; L616-M640 HydrophobicContact CD2-CG 4.45Å; L616-L644 HydrophobicContact CD2-CD1 4.27Å; L616-L644 HydrophobicContact CD2-CD2 4.02Å; L616-L644 HydrophobicContact CD2-CG 3.98Å
617	M	81.8	Confident	66.4	Low	68 Å²	68	43.4 Å²	43.4	34%	0.335	25%	0.251	S	S	.	.	H	α-helix	trans	-79	-40.7	-178.3	-71.6	-177	78.5	0	0	113.9	T490 L613 T615	T490-M617 WeakPolarHBondContact O-CE 3.42Å; L613-M617 HydrophobicContact CD1-CG 4.03Å; L613-M617 HydrophobicContact CD1-SD 3.72Å; L613-M617 HydrophobicContact CD2-SD 4.36Å; L613-M617 HydrophobicContact CG-CG 4.35Å; L613-M617 HydrophobicContact CG-SD 3.81Å; L613-M617 WeakPolarHBondContact O-CB 3.22Å; L613-M617 VanDerWaalsContact O-CG 3.28Å; L613-M617 WeakPolarHBondContact O-CG 3.27Å; L613-M617 PolarHBondContact O-N 3.38Å; T615-M617 VanDerWaalsContact C-N 3.34Å; T615-M617 PolarHBondContact O-N 2.9Å
618	E	76.4	Confident	65.7	Low	26 Å²	26	45.1 Å²	45.1	12%	0.121	26%	0.259	C	S	.	.	H	α-helix	trans	-98.1	-9.8	-175.6	-71.3	-59.4	140.5	0	0	114.6	R495 R498 L499 M502 L614	R495-E618 WeakPolarHBondContact CG-OE1 3.37Å; R495-E618 IonicContact CZ-OE2 3.22Å; R495-E618 IonicContact NE-OE1 3.41Å; R495-E618 IonicContact NE-OE2 2.71Å; R495-E618 PolarHBondContact NE-OE2 3Å; R495-E618 IonicContact NH2-OE2 2.64Å; R495-E618 PolarHBondContact NH2-OE2 3.18Å; R495-E618 VanDerWaalsContact NH2-OE2 3.09Å; R498-E618 HydrophobicContact CB-CG 3.82Å; R498-E618 IonicContact CZ-OE1 2.76Å; R498-E618 VanDerWaalsContact CZ-OE1 3.22Å; R498-E618 IonicContact NE-OE1 2.73Å; R498-E618 PolarHBondContact NE-OE1 3.49Å; R498-E618 IonicContact NH2-OE1 3.54Å; R498-E618 PolarHBondContact NH2-OE1 2.93Å; L499-E618 HydrophobicContact CD2-CG 4.38Å; M502-E618 HydrophobicContact CE-CB 3.72Å; M502-E618 HydrophobicContact CE-CG 4.16Å; L614-E618 PolarHBondContact O-N 3.04Å
619	R	64.9	Low	64.5	Low	188 Å²	188	48 Å²	48	71%	0.709	27%	0.273	S	S	*	.			trans	34.1	67.6	-177.3	-75.6	-166.5	174.8	-161.6	-3.1	112.9	T615 S621	T615-R619 VanDerWaalsContact O-CA 3.23Å; T615-R619 WeakPolarHBondContact O-CA 3.44Å; T615-R619 PolarHBondContact O-N 3.13Å; R619-S621 PolarHBondContact O-N 2.84Å; R619-S621 VanDerWaalsContact O-N 3.12Å
620	P	52.4	Low	63.6	Low	28 Å²	28	48.5 Å²	48.5	18%	0.182	27%	0.273	C	S	.	.			trans	-59.2	120.8	-177.2	25.5	-34.4	0	0	0	110.1	M502 T615 T622 T623	M502-P620 HydrophobicContact SD-CG 4.3Å; T615-P620 HydrophobicContact CG2-CG 4.18Å; P620-T622 PolarHBondContact O-N 3.5Å; P620-T623 HydrophobicContact CG-CG2 3.94Å
621	S	43.2	Very low	62.8	Low	125 Å²	125	54.2 Å²	54.2	87%	0.874	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	16.4	170.4	52.6	0	0	0	0	113.3	R619	R619-S621 PolarHBondContact O-N 2.84Å; R619-S621 VanDerWaalsContact O-N 3.12Å
622	T	46.1	Very low	61.7	Low	44 Å²	44	58 Å²	58	27%	0.27	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.3	35.8	-160	62	0	0	0	0	112.6	P620 P624	P620-T622 PolarHBondContact O-N 3.5Å; T622-P624 VanDerWaalsContact O-CD 3.24Å; T622-P624 WeakPolarHBondContact O-CD 3.37Å
623	T	42.1	Very low	60.8	Low	57 Å²	57	60 Å²	60	35%	0.35	34%	0.337	S	S	.	.			trans	-89.9	99.2	157.6	31.8	0	0	0	0	108.7	P620 E625	P620-T623 HydrophobicContact CG-CG2 3.94Å; T623-E625 PolarHBondContact O-N 3.17Å
624	P	42.1	Very low	59.9	Low	54 Å²	54	68.2 Å²	68.2	35%	0.351	38%	0.382	S	S	.	.			trans	-78.2	1.1	-174.7	33.1	-37.7	0	0	0	114.2	T622	T622-P624 VanDerWaalsContact O-CD 3.24Å; T622-P624 WeakPolarHBondContact O-CD 3.37Å
625	E	43.3	Very low	59.4	Low	55 Å²	55	73.1 Å²	73.1	26%	0.257	41%	0.405	S	S	.	.	S	Bend	trans	-141.3	119.2	-179.1	-68.9	-177.3	147	0	0	110.4	Q561 T623	Q561-E625 PolarHBondContact NE2-OE1 3.02Å; T623-E625 PolarHBondContact O-N 3.17Å
626	G	46.8	Very low	59.3	Low	61 Å²	61	72.8 Å²	72.8	63%	0.629	40%	0.403	S	S	*	.			trans	98.8	121.9	174.8	0	0	0	0	0	114.3
627	V	49.4	Very low	59.2	Low	100 Å²	100	76.3 Å²	76.3	61%	0.606	43%	0.429	S	S	*	.			trans	-68.9	136.9	156.4	-170.1	0	0	0	0	106.7	E631 T632	V627-E631 HydrophobicContact CG1-CB 3.95Å; V627-E631 WeakPolarHBondContact CG1-OE2 3.11Å; V627-T632 HydrophobicContact CB-CG2 3.86Å; V627-T632 HydrophobicContact CG1-CG2 3.59Å
628	E	56.8	Low	59.3	Low	36 Å²	36	77.3 Å²	77.3	17%	0.168	44%	0.435	C	S	.	.			trans	-71.7	148.8	-171.5	-62.4	-170.4	125	0	0	111.6	T615 W630 E631 T632	T615-E628 WeakPolarHBondContact CB-OE1 3.39Å; T615-E628 PolarHBondContact OG1-OE1 2.98Å; E628-W630 HydrophobicContact CB-CD2 4.23Å; E628-W630 HydrophobicContact CB-CG 4.42Å; E628-W630 HydrophobicContact CB-CZ2 4.07Å; E628-W630 HydrophobicContact CG-CZ2 4.23Å; E628-W630 PolarHBondContact O-N 3.46Å; E628-W630 VanDerWaalsContact O-N 3.15Å; E628-W630 WeakPolarHBondContact OE1-CZ2 3.18Å; E628-W630 VanDerWaalsContact OE2-CE2 3.28Å; E628-W630 WeakPolarHBondContact OE2-CZ2 3.45Å; E628-W630 PolarHBondContact OE2-NE1 3.13Å; E628-E631 HydrophobicContact CB-CG 4.2Å; E628-E631 PolarHBondContact N-OE2 2.92Å; E628-E631 WeakPolarHBondContact O-CB 3.38Å; E628-E631 PolarHBondContact O-N 3.05Å; E628-T632 PolarHBondContact O-N 3.26Å; E628-T632 PolarHBondContact O-OG1 3.17Å
629	L	54	Low	59.6	Low	72 Å²	72	76.3 Å²	76.3	38%	0.377	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-26.6	-172.5	-81.1	160.3	0	0	0	113.1	Y595 S633	Y595-L629 HydrophobicContact CD1-CD1 4.12Å; Y595-L629 HydrophobicContact CG-CD1 4.22Å; L629-S633 WeakPolarHBondContact O-CB 3.43Å; L629-S633 PolarHBondContact O-N 3.43Å; L629-S633 PolarHBondContact O-OG 2.73Å
630	W	61.5	Low	60.5	Low	35 Å²	35	69.8 Å²	69.8	13%	0.133	41%	0.409	C	S	.	.	H	α-helix	trans	-81.2	-12.3	173.8	47.3	71.4	0	0	0	114.6	P612 T615 L616 E628 I639 M640	P612-W630 HydrophobicContact CB-CH2 4.31Å; P612-W630 HydrophobicContact CB-CZ3 4.02Å; P612-W630 WeakPolarHBondContact O-CH2 3.32Å; T615-W630 WeakPolarHBondContact OG1-CH2 3.32Å; T615-W630 WeakPolarHBondContact OG1-CZ2 3.43Å; L616-W630 HydrophobicContact CB-CH2 4.38Å; L616-W630 HydrophobicContact CB-CZ2 4.33Å; E628-W630 HydrophobicContact CB-CD2 4.23Å; E628-W630 HydrophobicContact CB-CG 4.42Å; E628-W630 HydrophobicContact CB-CZ2 4.07Å; E628-W630 HydrophobicContact CG-CZ2 4.23Å; E628-W630 PolarHBondContact O-N 3.46Å; E628-W630 VanDerWaalsContact O-N 3.15Å; E628-W630 WeakPolarHBondContact OE1-CZ2 3.18Å; E628-W630 VanDerWaalsContact OE2-CE2 3.28Å; E628-W630 WeakPolarHBondContact OE2-CZ2 3.45Å; E628-W630 PolarHBondContact OE2-NE1 3.13Å; W630-I639 HydrophobicContact CE3-CG2 4.48Å; W630-M640 HydrophobicContact CB-CG 3.92Å; W630-M640 HydrophobicContact CB-SD 4.04Å; W630-M640 HydrophobicContact CD2-CG 4.36Å; W630-M640 HydrophobicContact CG-CG 4.1Å; W630-M640 HydrophobicContact CG-SD 4.31Å
631	E	61.9	Low	62.2	Low	128 Å²	128	72.7 Å²	72.7	60%	0.598	42%	0.423	S	S	*	.	H	α-helix	trans	-90.5	-25	172.6	-57	-176.1	128.8	0	0	111.9	V627 E628	V627-E631 HydrophobicContact CG1-CB 3.95Å; V627-E631 WeakPolarHBondContact CG1-OE2 3.11Å; E628-E631 HydrophobicContact CB-CG 4.2Å; E628-E631 PolarHBondContact N-OE2 2.92Å; E628-E631 WeakPolarHBondContact O-CB 3.38Å; E628-E631 PolarHBondContact O-N 3.05Å
632	T	59.9	Low	64.2	Low	92 Å²	92	70.1 Å²	70.1	56%	0.564	39%	0.394	S	S	*	.	H	α-helix	trans	-100.2	-7.6	-176.7	47.1	0	0	0	0	115.5	V627 E628	V627-T632 HydrophobicContact CB-CG2 3.86Å; V627-T632 HydrophobicContact CG1-CG2 3.59Å; E628-T632 PolarHBondContact O-N 3.26Å; E628-T632 PolarHBondContact O-OG1 3.17Å
633	S	62.2	Low	66.1	Low	43 Å²	43	69 Å²	69	30%	0.301	39%	0.385	S	S	.	.	S	Bend	trans	-120.7	141.1	-176.4	66	0	0	0	0	113	L629 Q635 G636	L629-S633 WeakPolarHBondContact O-CB 3.43Å; L629-S633 PolarHBondContact O-N 3.43Å; L629-S633 PolarHBondContact O-OG 2.73Å; S633-Q635 PolarHBondContact O-N 3.47Å; S633-G636 PolarHBondContact O-N 3.25Å
634	D	65.1	Low	68.2	Low	183 Å²	183	70.2 Å²	70.2	98%	0.979	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.6	175.8	-59	-47.2	0	0	0	113.2
635	Q	73.2	Confident	70.4	Confident	103 Å²	103	71.8 Å²	71.8	48%	0.481	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	9.1	178.2	-64.2	-176.5	-2.9	0	0	113.4	S633 C637 D638 I639	S633-Q635 PolarHBondContact O-N 3.47Å; Q635-C637 VanDerWaalsContact C-N 3.27Å; Q635-C637 PolarHBondContact O-N 3.22Å; Q635-C637 VanDerWaalsContact O-N 3.13Å; Q635-D638 PolarHBondContact O-N 3.41Å; Q635-I639 HydrophobicContact CB-CD1 4.43Å; Q635-I639 PolarHBondContact O-N 3.08Å
636	G	79.8	Confident	72.4	Confident	4 Å²	4	71.6 Å²	71.6	4%	0.041	40%	0.4	C	S	.	.	H	α-helix	trans	-52	-40.4	-174	0	0	0	0	0	114.6	S633 D638 I639 M640	S633-G636 PolarHBondContact O-N 3.25Å; G636-D638 PolarHBondContact O-N 2.95Å; G636-I639 PolarHBondContact O-N 3.14Å; G636-M640 WeakPolarHBondContact O-CB 3.48Å; G636-M640 WeakPolarHBondContact O-CG 3.5Å; G636-M640 PolarHBondContact O-N 3.31Å
637	C	81.5	Confident	74.3	Confident	101 Å²	101	69.1 Å²	69.1	68%	0.682	37%	0.373	S	S	*	.	H	α-helix	trans	-63.5	-38.6	175.6	-65.3	0	0	0	0	113.6	Q635 L641	Q635-C637 VanDerWaalsContact C-N 3.27Å; Q635-C637 PolarHBondContact O-N 3.22Å; Q635-C637 VanDerWaalsContact O-N 3.13Å; C637-L641 WeakPolarHBondContact O-CB 3.33Å; C637-L641 PolarHBondContact O-N 2.71Å
638	D	83.4	Confident	76.2	Confident	88 Å²	88	70.5 Å²	70.5	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-70.8	-40.1	178.3	-65.5	-29.7	0	0	0	110.3	Q635 G636 L641 R642	Q635-D638 PolarHBondContact O-N 3.41Å; G636-D638 PolarHBondContact O-N 2.95Å; D638-L641 PolarHBondContact O-N 3.36Å; D638-R642 VanDerWaalsContact O-CG 3.24Å; D638-R642 WeakPolarHBondContact O-CG 3.38Å; D638-R642 PolarHBondContact O-N 3.17Å
639	I	83.1	Confident	77.5	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-46.9	174.5	-64.3	168.6	0	0	0	110.3	Y595 W630 Q635 G636 L641 R642 H643	Y595-I639 WeakPolarHBondContact O-CG2 3.4Å; W630-I639 HydrophobicContact CE3-CG2 4.48Å; Q635-I639 HydrophobicContact CB-CD1 4.43Å; Q635-I639 PolarHBondContact O-N 3.08Å; G636-I639 PolarHBondContact O-N 3.14Å; I639-L641 VanDerWaalsContact C-N 3.34Å; I639-L641 PolarHBondContact O-N 3.26Å; I639-R642 PolarHBondContact O-N 2.78Å; I639-H643 PolarHBondContact O-CD2 3.22Å; I639-H643 PolarHBondContact O-N 3.25Å; I639-H643 VanDerWaalsContact O-N 3.13Å
640	M	83.4	Confident	79	Confident	52 Å²	52	69.1 Å²	69.1	26%	0.256	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-43.2	175.3	-71.3	161.4	67.4	0	0	111.9	L616 W630 G636 H643 L644	L616-M640 HydrophobicContact CD1-CE 3.76Å; L616-M640 HydrophobicContact CD1-CG 4.24Å; L616-M640 HydrophobicContact CD2-CB 4.38Å; L616-M640 HydrophobicContact CD2-CG 4.45Å; W630-M640 HydrophobicContact CB-CG 3.92Å; W630-M640 HydrophobicContact CB-SD 4.04Å; W630-M640 HydrophobicContact CD2-CG 4.36Å; W630-M640 HydrophobicContact CG-CG 4.1Å; W630-M640 HydrophobicContact CG-SD 4.31Å; G636-M640 WeakPolarHBondContact O-CB 3.48Å; G636-M640 WeakPolarHBondContact O-CG 3.5Å; G636-M640 PolarHBondContact O-N 3.31Å; M640-H643 PolarHBondContact O-N 3.45Å; M640-L644 WeakPolarHBondContact O-CG 3.15Å; M640-L644 PolarHBondContact O-N 3.01Å; M640-L644 VanDerWaalsContact O-N 3.09Å
641	L	86.9	Confident	80.1	Confident	88 Å²	88	68.4 Å²	68.4	46%	0.461	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-46.8	178.4	-178.8	59.8	0	0	0	111.7	C637 D638 I639 H643 L644 E645	C637-L641 WeakPolarHBondContact O-CB 3.33Å; C637-L641 PolarHBondContact O-N 2.71Å; D638-L641 PolarHBondContact O-N 3.36Å; I639-L641 VanDerWaalsContact C-N 3.34Å; I639-L641 PolarHBondContact O-N 3.26Å; L641-H643 VanDerWaalsContact C-N 3.3Å; L641-H643 PolarHBondContact O-N 2.74Å; L641-L644 PolarHBondContact O-N 3.49Å; L641-L644 VanDerWaalsContact O-N 3.09Å; L641-E645 HydrophobicContact CD1-CG 4.1Å; L641-E645 HydrophobicContact CG-CG 4.4Å; L641-E645 WeakPolarHBondContact O-CG 3.33Å; L641-E645 PolarHBondContact O-N 2.78Å
642	R	85.8	Confident	81.3	Confident	72 Å²	72	68 Å²	68	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-55.2	-44.3	176.5	-67.2	163.5	-157.4	-175.6	-4.4	111.9	E596 E598 D638 I639 E645 A646	E596-R642 WeakPolarHBondContact O-CD 3.44Å; E596-R642 PolarHBondContact O-NH1 3.01Å; E598-R642 IonicContact OE1-CZ 3.16Å; E598-R642 IonicContact OE1-NH1 3.35Å; E598-R642 PolarHBondContact OE1-NH1 3.19Å; E598-R642 IonicContact OE1-NH2 3.43Å; E598-R642 PolarHBondContact OE1-NH2 3.3Å; D638-R642 VanDerWaalsContact O-CG 3.24Å; D638-R642 WeakPolarHBondContact O-CG 3.38Å; D638-R642 PolarHBondContact O-N 3.17Å; I639-R642 PolarHBondContact O-N 2.78Å; R642-E645 PolarHBondContact O-N 3.25Å; R642-A646 VanDerWaalsContact O-CB 3.25Å; R642-A646 WeakPolarHBondContact O-CB 3.2Å; R642-A646 PolarHBondContact O-N 3.08Å
643	H	86.1	Confident	82.4	Confident	19 Å²	19	67.8 Å²	67.8	9%	0.088	36%	0.361	C	S	.	.	H	α-helix	trans	-67.2	-34.4	177.9	-73.5	-57.3	0	0	0	113.1	L594 Y595 I639 M640 L641 A647	L594-H643 PolarHBondContact O-CE1 3.49Å; Y595-H643 PolarHBondContact O-NE2 3.43Å; I639-H643 PolarHBondContact O-CD2 3.22Å; I639-H643 PolarHBondContact O-N 3.25Å; I639-H643 VanDerWaalsContact O-N 3.13Å; M640-H643 PolarHBondContact O-N 3.45Å; L641-H643 VanDerWaalsContact C-N 3.3Å; L641-H643 PolarHBondContact O-N 2.74Å; H643-A647 VanDerWaalsContact O-CB 3.23Å; H643-A647 WeakPolarHBondContact O-CB 3.5Å; H643-A647 PolarHBondContact O-N 2.85Å
644	L	87.4	Confident	83.3	Confident	83 Å²	83	66 Å²	66	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-73.1	-37.4	175.6	-69.6	169.8	0	0	0	112.6	L613 L616 M640 L641 A647 R648	L613-L644 HydrophobicContact CD1-CD2 3.96Å; L616-L644 HydrophobicContact CD2-CD1 4.27Å; L616-L644 HydrophobicContact CD2-CD2 4.02Å; L616-L644 HydrophobicContact CD2-CG 3.98Å; M640-L644 WeakPolarHBondContact O-CG 3.15Å; M640-L644 PolarHBondContact O-N 3.01Å; M640-L644 VanDerWaalsContact O-N 3.09Å; L641-L644 PolarHBondContact O-N 3.49Å; L641-L644 VanDerWaalsContact O-N 3.09Å; L644-A647 PolarHBondContact O-N 3.38Å; L644-R648 PolarHBondContact O-N 3.22Å; L644-R648 VanDerWaalsContact O-N 3.09Å
645	E	87.9	Confident	84	Confident	87 Å²	87	64.3 Å²	64.3	41%	0.407	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-45.3	173.6	-68	-171.7	132	0	0	111.2	L641 R642 A647 R648 D649	L641-E645 HydrophobicContact CD1-CG 4.1Å; L641-E645 HydrophobicContact CG-CG 4.4Å; L641-E645 WeakPolarHBondContact O-CG 3.33Å; L641-E645 PolarHBondContact O-N 2.78Å; R642-E645 PolarHBondContact O-N 3.25Å; E645-A647 VanDerWaalsContact C-N 3.28Å; E645-A647 PolarHBondContact O-N 3.1Å; E645-R648 WeakPolarHBondContact O-CB 3.34Å; E645-R648 PolarHBondContact O-N 3.39Å; E645-D649 VanDerWaalsContact O-CG 3.29Å; E645-D649 PolarHBondContact O-N 2.76Å
646	A	85.4	Confident	84.5	Confident	51 Å²	51	62.3 Å²	62.3	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-60	-36.6	172.6	0	0	0	0	0	112.3	R642 D649 V650	R642-A646 VanDerWaalsContact O-CB 3.25Å; R642-A646 WeakPolarHBondContact O-CB 3.2Å; R642-A646 PolarHBondContact O-N 3.08Å; A646-D649 PolarHBondContact O-N 2.99Å; A646-V650 WeakPolarHBondContact O-CB 3.32Å; A646-V650 VanDerWaalsContact O-CG2 3.26Å; A646-V650 WeakPolarHBondContact O-CG2 3.05Å; A646-V650 PolarHBondContact O-N 2.96Å
647	A	86.5	Confident	84.5	Confident	9 Å²	9	64 Å²	64	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-65.5	-42	175.7	0	0	0	0	0	113.1	T490 L613 H643 L644 E645 D649 V650 A651	T490-A647 HydrophobicContact CG2-CB 4.49Å; L613-A647 HydrophobicContact CD1-CB 3.63Å; L613-A647 HydrophobicContact CD2-CB 3.51Å; L613-A647 HydrophobicContact CG-CB 4.12Å; H643-A647 VanDerWaalsContact O-CB 3.23Å; H643-A647 WeakPolarHBondContact O-CB 3.5Å; H643-A647 PolarHBondContact O-N 2.85Å; L644-A647 PolarHBondContact O-N 3.38Å; E645-A647 VanDerWaalsContact C-N 3.28Å; E645-A647 PolarHBondContact O-N 3.1Å; A647-D649 VanDerWaalsContact C-N 3.32Å; A647-V650 PolarHBondContact O-N 2.98Å; A647-A651 PolarHBondContact O-N 3.03Å
648	R	88.1	Confident	84.2	Confident	129 Å²	129	60.3 Å²	60.3	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-45.2	172.5	-179.5	-162.5	66.5	-145.7	-9.4	110.6	L644 E645 V650 A651 N652	L644-R648 PolarHBondContact O-N 3.22Å; L644-R648 VanDerWaalsContact O-N 3.09Å; E645-R648 WeakPolarHBondContact O-CB 3.34Å; E645-R648 PolarHBondContact O-N 3.39Å; R648-V650 VanDerWaalsContact C-N 3.33Å; R648-V650 PolarHBondContact O-N 2.91Å; R648-A651 PolarHBondContact O-N 3.4Å; R648-N652 VanDerWaalsContact O-CG 3.28Å; R648-N652 PolarHBondContact O-N 3.2Å; R648-N652 PolarHBondContact O-ND2 3.02Å
649	D	84.9	Confident	84.1	Confident	65 Å²	65	58.4 Å²	58.4	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-72.9	-29.4	-176.9	-62	-7.9	0	0	0	111.4	E645 A646 A647 N653	E645-D649 VanDerWaalsContact O-CG 3.29Å; E645-D649 PolarHBondContact O-N 2.76Å; A646-D649 PolarHBondContact O-N 2.99Å; A647-D649 VanDerWaalsContact C-N 3.32Å; D649-N653 WeakPolarHBondContact O-CB 3.44Å; D649-N653 PolarHBondContact O-N 3.04Å; D649-N653 VanDerWaalsContact O-N 3.09Å; D649-N653 PolarHBondContact O-ND2 3.34Å
650	V	84.9	Confident	84	Confident	15 Å²	15	60.2 Å²	60.2	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-45.5	167.6	159.3	0	0	0	0	112	L486 P608 A646 A647 R648 N653 A654 Y657	L486-V650 HydrophobicContact CB-CG1 4.21Å; L486-V650 HydrophobicContact CD1-CG1 4.45Å; L486-V650 HydrophobicContact CD2-CG1 4.11Å; L486-V650 HydrophobicContact CG-CG1 4.49Å; P608-V650 HydrophobicContact CB-CG2 3.7Å; P608-V650 HydrophobicContact CG-CB 4.44Å; P608-V650 HydrophobicContact CG-CG1 3.76Å; P608-V650 HydrophobicContact CG-CG2 3.72Å; A646-V650 WeakPolarHBondContact O-CB 3.32Å; A646-V650 VanDerWaalsContact O-CG2 3.26Å; A646-V650 WeakPolarHBondContact O-CG2 3.05Å; A646-V650 PolarHBondContact O-N 2.96Å; A647-V650 PolarHBondContact O-N 2.98Å; R648-V650 VanDerWaalsContact C-N 3.33Å; R648-V650 PolarHBondContact O-N 2.91Å; V650-N653 CarbonylContact O-C 3.28Å; V650-N653 PolarHBondContact O-N 2.79Å; V650-A654 PolarHBondContact O-N 3.36Å; V650-A654 VanDerWaalsContact O-N 3.13Å; V650-Y657 HydrophobicContact CB-CE2 4.46Å; V650-Y657 HydrophobicContact CG1-CE2 4.44Å; V650-Y657 HydrophobicContact CG2-CE2 4.32Å
651	A	85.1	Confident	83.6	Confident	19 Å²	19	57.7 Å²	57.7	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-46.2	177.8	0	0	0	0	0	111.5	T490 A647 R648 N653 A654	T490-A651 HydrophobicContact CG2-CB 4.03Å; A647-A651 PolarHBondContact O-N 3.03Å; R648-A651 PolarHBondContact O-N 3.4Å; A651-N653 VanDerWaalsContact C-N 3.28Å; A651-N653 PolarHBondContact O-N 3.07Å; A651-A654 WeakPolarHBondContact O-CB 3.46Å; A651-A654 PolarHBondContact O-N 3.1Å
652	N	86.1	Confident	83.2	Confident	121 Å²	121	57.4 Å²	57.4	65%	0.647	30%	0.3	S	S	*	.	H	α-helix	trans	-58.9	-37.2	176.5	-70.3	-23.8	0	0	0	112.7	R648	R648-N652 VanDerWaalsContact O-CG 3.28Å; R648-N652 PolarHBondContact O-N 3.2Å; R648-N652 PolarHBondContact O-ND2 3.02Å
653	N	83.4	Confident	82.9	Confident	86 Å²	86	60.5 Å²	60.5	46%	0.46	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.1	-177.3	-68.5	-74.9	0	0	0	113.8	D649 V650 A651 Q655 S656 Y657	D649-N653 WeakPolarHBondContact O-CB 3.44Å; D649-N653 PolarHBondContact O-N 3.04Å; D649-N653 VanDerWaalsContact O-N 3.09Å; D649-N653 PolarHBondContact O-ND2 3.34Å; V650-N653 CarbonylContact O-C 3.28Å; V650-N653 PolarHBondContact O-N 2.79Å; A651-N653 VanDerWaalsContact C-N 3.28Å; A651-N653 PolarHBondContact O-N 3.07Å; N653-Q655 PolarHBondContact O-N 2.96Å; N653-S656 VanDerWaalsContact O-CB 3.32Å; N653-S656 WeakPolarHBondContact O-CB 3.48Å; N653-S656 PolarHBondContact O-N 3.01Å; N653-Y657 HydrophobicContact CB-CE2 3.91Å; N653-Y657 VanDerWaalsContact O-CD2 3.25Å; N653-Y657 WeakPolarHBondContact O-CD2 3.35Å
654	A	81.3	Confident	82.3	Confident	6 Å²	6	62 Å²	62	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-50.5	-38.4	-171.8	0	0	0	0	0	114.5	L486 V650 A651 Y657 T658	L486-A654 HydrophobicContact CB-CB 4.38Å; V650-A654 PolarHBondContact O-N 3.36Å; V650-A654 VanDerWaalsContact O-N 3.13Å; A651-A654 WeakPolarHBondContact O-CB 3.46Å; A651-A654 PolarHBondContact O-N 3.1Å; A654-Y657 PolarHBondContact O-N 3.35Å; A654-T658 PolarHBondContact O-N 2.89Å
655	Q	80.4	Confident	81.6	Confident	148 Å²	148	59 Å²	59	69%	0.692	31%	0.308	S	S	*	.	H	α-helix	trans	-65.6	-35.8	177.8	-64.1	177	-5.7	0	0	113.1	N653 Y657 T658 S659	N653-Q655 PolarHBondContact O-N 2.96Å; Q655-Y657 VanDerWaalsContact C-N 3.34Å; Q655-Y657 PolarHBondContact O-N 3.09Å; Q655-T658 WeakPolarHBondContact O-CB 3.47Å; Q655-T658 PolarHBondContact O-N 3.42Å; Q655-S659 PolarHBondContact O-N 2.99Å
656	S	82.8	Confident	80.9	Confident	60 Å²	60	61.8 Å²	61.8	42%	0.42	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-39.6	178.7	-173.1	0	0	0	0	111.4	N653 T658 S659 N660	N653-S656 VanDerWaalsContact O-CB 3.32Å; N653-S656 WeakPolarHBondContact O-CB 3.48Å; N653-S656 PolarHBondContact O-N 3.01Å; S656-T658 PolarHBondContact O-N 3.33Å; S656-S659 PolarHBondContact O-N 2.98Å; S656-N660 VanDerWaalsContact O-CB 3.29Å; S656-N660 WeakPolarHBondContact O-CB 3.4Å; S656-N660 PolarHBondContact O-N 3.36Å; S656-N660 PolarHBondContact O-ND2 3.05Å
657	Y	79.1	Confident	79.9	Confident	40 Å²	40	63.4 Å²	63.4	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-63.4	-39.5	173.7	-62.3	-74.2	0	0	0	112.3	L486 V605 V650 N653 A654 Q655 A661	L486-Y657 HydrophobicContact CD1-CD2 3.83Å; L486-Y657 HydrophobicContact CD1-CG 3.96Å; V605-Y657 HydrophobicContact CB-CE1 4.02Å; V605-Y657 HydrophobicContact CG1-CD1 4.17Å; V605-Y657 HydrophobicContact CG1-CE1 3.72Å; V605-Y657 WeakPolarHBondContact O-CD1 3.42Å; V650-Y657 HydrophobicContact CB-CE2 4.46Å; V650-Y657 HydrophobicContact CG1-CE2 4.44Å; V650-Y657 HydrophobicContact CG2-CE2 4.32Å; N653-Y657 HydrophobicContact CB-CE2 3.91Å; N653-Y657 VanDerWaalsContact O-CD2 3.25Å; N653-Y657 WeakPolarHBondContact O-CD2 3.35Å; A654-Y657 PolarHBondContact O-N 3.35Å; Q655-Y657 VanDerWaalsContact C-N 3.34Å; Q655-Y657 PolarHBondContact O-N 3.09Å; Y657-A661 WeakPolarHBondContact O-CB 3.45Å; Y657-A661 PolarHBondContact O-N 3.09Å
658	T	77.1	Confident	79.2	Confident	24 Å²	24	65.7 Å²	65.7	15%	0.147	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-54.4	173.6	-61.4	0	0	0	0	111.1	I469 L470 A654 Q655 S656 N660 A661 E662	I469-T658 WeakPolarHBondContact CG2-OG1 3.24Å; I469-T658 WeakPolarHBondContact O-CG2 3.3Å; I469-T658 PolarHBondContact O-OG1 2.98Å; I469-T658 VanDerWaalsContact O-OG1 3.1Å; L470-T658 HydrophobicContact CD2-CG2 3.74Å; L470-T658 HydrophobicContact CG-CG2 4.45Å; A654-T658 PolarHBondContact O-N 2.89Å; Q655-T658 WeakPolarHBondContact O-CB 3.47Å; Q655-T658 PolarHBondContact O-N 3.42Å; S656-T658 PolarHBondContact O-N 3.33Å; T658-N660 VanDerWaalsContact C-N 3.33Å; T658-N660 PolarHBondContact O-N 3.13Å; T658-A661 WeakPolarHBondContact O-CA 3.25Å; T658-A661 VanDerWaalsContact O-CB 3.31Å; T658-A661 WeakPolarHBondContact O-CB 3.3Å; T658-A661 PolarHBondContact O-N 2.89Å; T658-E662 WeakPolarHBondContact O-CG 3.36Å; T658-E662 PolarHBondContact O-N 3.45Å
659	S	80.5	Confident	78.3	Confident	48 Å²	48	68 Å²	68	34%	0.336	37%	0.366	S	S	.	.	H	α-helix	trans	-70.7	-23.3	-178	-59.5	0	0	0	0	114.8	Q655 S656 E662 K663	Q655-S659 PolarHBondContact O-N 2.99Å; S656-S659 PolarHBondContact O-N 2.98Å; S659-E662 VanDerWaalsContact CA-OE2 3.3Å; S659-E662 WeakPolarHBondContact CA-OE2 3.04Å; S659-E662 PolarHBondContact OG-OE2 2.88Å; S659-K663 WeakPolarHBondContact O-CD 3.28Å; S659-K663 VanDerWaalsContact O-CG 3.26Å; S659-K663 WeakPolarHBondContact O-CG 3.4Å; S659-K663 PolarHBondContact O-N 3.11Å
660	N	80.6	Confident	77.6	Confident	42 Å²	42	69 Å²	69	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-74.4	-28.2	168.4	-69.5	-21.5	0	0	0	112.1	V604 C606 S656 T658	V604-N660 HydrophobicContact CG1-CB 4.09Å; C606-N660 VanDerWaalsContact SG-C 3.57Å; C606-N660 PolarHBondContact SG-O 3.1Å; C606-N660 VanDerWaalsContact SG-O 3.38Å; S656-N660 VanDerWaalsContact O-CB 3.29Å; S656-N660 WeakPolarHBondContact O-CB 3.4Å; S656-N660 PolarHBondContact O-N 3.36Å; S656-N660 PolarHBondContact O-ND2 3.05Å; T658-N660 VanDerWaalsContact C-N 3.33Å; T658-N660 PolarHBondContact O-N 3.13Å
661	A	75.2	Confident	77.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-72.5	-43.8	172.4	0	0	0	0	0	111.8	L463 L470 C606 Y657 T658 I664 L665	L463-A661 HydrophobicContact CD1-CB 3.67Å; L463-A661 HydrophobicContact CD2-CB 3.83Å; L463-A661 HydrophobicContact CG-CB 4.41Å; L470-A661 HydrophobicContact CD1-CB 3.97Å; C606-A661 HydrophobicContact CB-CB 4.41Å; Y657-A661 WeakPolarHBondContact O-CB 3.45Å; Y657-A661 PolarHBondContact O-N 3.09Å; T658-A661 WeakPolarHBondContact O-CA 3.25Å; T658-A661 VanDerWaalsContact O-CB 3.31Å; T658-A661 WeakPolarHBondContact O-CB 3.3Å; T658-A661 PolarHBondContact O-N 2.89Å; A661-I664 PolarHBondContact O-N 3.32Å; A661-L665 VanDerWaalsContact O-CG 3.31Å; A661-L665 WeakPolarHBondContact O-CG 3.47Å; A661-L665 PolarHBondContact O-N 3.41Å
662	E	77.9	Confident	76.9	Confident	81 Å²	81	74.1 Å²	74.1	38%	0.379	39%	0.389	S	S	.	.	H	α-helix	trans	-55.2	-54.2	177.6	-68.6	166.8	154.9	0	0	111.3	L470 T658 S659 I664 L665 E666	L470-E662 HydrophobicContact CD2-CG 3.59Å; L470-E662 WeakPolarHBondContact CD2-OE1 3.17Å; T658-E662 WeakPolarHBondContact O-CG 3.36Å; T658-E662 PolarHBondContact O-N 3.45Å; S659-E662 VanDerWaalsContact CA-OE2 3.3Å; S659-E662 WeakPolarHBondContact CA-OE2 3.04Å; S659-E662 PolarHBondContact OG-OE2 2.88Å; E662-I664 PolarHBondContact O-N 3.4Å; E662-L665 CarbonylContact O-C 3.57Å; E662-L665 WeakPolarHBondContact O-CA 3.48Å; E662-L665 PolarHBondContact O-N 2.91Å; E662-E666 PolarHBondContact O-N 2.76Å
663	K	80.6	Confident	76.7	Confident	137 Å²	137	69.9 Å²	69.9	60%	0.596	37%	0.367	S	S	*	.	H	α-helix	trans	-58.5	-18.2	179.2	-68.6	167.2	-170.9	169.2	0	115.7	S659 E666	S659-K663 WeakPolarHBondContact O-CD 3.28Å; S659-K663 VanDerWaalsContact O-CG 3.26Å; S659-K663 WeakPolarHBondContact O-CG 3.4Å; S659-K663 PolarHBondContact O-N 3.11Å; K663-E666 WeakPolarHBondContact CA-OE1 3.44Å
664	I	73.4	Confident	76.6	Confident	51 Å²	51	65.8 Å²	65.8	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-100.5	-11.2	177.9	-69.2	173.4	0	0	0	111.5	K459 V604 A661 E662	K459-I664 VanDerWaalsContact NZ-CG2 3.29Å; V604-I664 HydrophobicContact CG1-CD1 3.93Å; A661-I664 PolarHBondContact O-N 3.32Å; E662-I664 PolarHBondContact O-N 3.4Å
665	L	72.7	Confident	76.6	Confident	21 Å²	21	66.2 Å²	66.2	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-103.3	-19.2	175.6	-65	171	0	0	0	112.4	L460 L463 L470 A661 E662 G667 F668 F670	L460-L665 HydrophobicContact CB-CD2 4.23Å; L460-L665 HydrophobicContact CD1-CD1 3.72Å; L460-L665 HydrophobicContact CD1-CD2 3.95Å; L460-L665 HydrophobicContact CD1-CG 4.43Å; L463-L665 HydrophobicContact CD1-CD1 4.04Å; L470-L665 HydrophobicContact CD1-CD1 3.6Å; A661-L665 VanDerWaalsContact O-CG 3.31Å; A661-L665 WeakPolarHBondContact O-CG 3.47Å; A661-L665 PolarHBondContact O-N 3.41Å; E662-L665 CarbonylContact O-C 3.57Å; E662-L665 WeakPolarHBondContact O-CA 3.48Å; E662-L665 PolarHBondContact O-N 2.91Å; L665-G667 PolarHBondContact O-N 3.18Å; L665-G667 VanDerWaalsContact O-N 3.16Å; L665-F668 PolarHBondContact O-N 2.94Å; L665-F668 VanDerWaalsContact O-N 3.08Å; L665-F670 HydrophobicContact CD2-CE1 4.11Å; L665-F670 HydrophobicContact CD2-CZ 4.31Å
666	E	72.6	Confident	76.7	Confident	145 Å²	145	59.6 Å²	59.6	68%	0.678	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	115.9	169.9	-80.8	170.8	-132.9	0	0	111.6	E662 K663	E662-E666 PolarHBondContact O-N 2.76Å; K663-E666 WeakPolarHBondContact CA-OE1 3.44Å
667	G	63.9	Low	76.7	Confident	84 Å²	84	57.2 Å²	57.2	87%	0.866	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-1.3	178.5	0	0	0	0	0	116.3	L665	L665-G667 PolarHBondContact O-N 3.18Å; L665-G667 VanDerWaalsContact O-N 3.16Å
668	F	71.8	Confident	76.9	Confident	57 Å²	57	56 Å²	56	25%	0.25	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-79.1	135.2	178.3	-169	-84.1	0	0	0	112	T456 H457 L665 F670	T456-F668 HydrophobicContact CG2-CD2 4.41Å; T456-F668 HydrophobicContact CG2-CE2 4.21Å; T456-F668 WeakPolarHBondContact OG1-CE2 3.49Å; T456-F668 WeakPolarHBondContact OG1-CZ 3.22Å; H457-F668 AromaticContact CE1-CE1 3.4Å; H457-F668 WeakPolarHBondContact CE1-CE1 3.39Å; H457-F668 AromaticContact CE1-CZ 3.57Å; H457-F668 AromaticContact ND1-CE1 3.79Å; H457-F668 AromaticContact ND1-CZ 3.73Å; H457-F668 AromaticContact NE2-CE1 3.87Å; L665-F668 PolarHBondContact O-N 2.94Å; L665-F668 VanDerWaalsContact O-N 3.08Å; F668-F670 HydrophobicContact CB-CE1 4.35Å; F668-F670 HydrophobicContact CB-CZ 4.42Å; F668-F670 AromaticContact CD1-CD1 3.4Å; F668-F670 HydrophobicContact CD1-CD1 3.4Å; F668-F670 VanDerWaalsContact CD1-CD1 3.4Å; F668-F670 AromaticContact CD1-CE1 3.35Å; F668-F670 HydrophobicContact CD1-CE1 3.35Å; F668-F670 HydrophobicContact CD1-CG 4.24Å; F668-F670 HydrophobicContact CD1-CZ 4.13Å; F668-F670 AromaticContact CE1-CD1 3.71Å; F668-F670 HydrophobicContact CE1-CD1 3.71Å; F668-F670 HydrophobicContact CE1-CE1 4.03Å; F668-F670 HydrophobicContact CG-CE1 4.22Å
669	Q	69.7	Low	77.3	Confident	177 Å²	177	56.9 Å²	56.9	83%	0.827	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-97.9	125	175.2	-65.2	-174.8	11.5	0	0	110.7
670	F	71.2	Confident	77.5	Confident	86 Å²	86	54.6 Å²	54.6	38%	0.377	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-93.7	136.4	-175.7	-49.8	-70.5	0	0	0	112.2	H457 L460 L665 F668 L675	H457-F670 WeakPolarHBondContact NE2-CA 3.23Å; L460-F670 HydrophobicContact CB-CE1 4.31Å; L460-F670 HydrophobicContact CD1-CE1 3.8Å; L460-F670 HydrophobicContact CD1-CZ 3.82Å; L460-F670 HydrophobicContact CD2-CD1 3.41Å; L460-F670 VanDerWaalsContact CD2-CD1 3.41Å; L460-F670 HydrophobicContact CD2-CD2 4.43Å; L460-F670 HydrophobicContact CD2-CE1 3.45Å; L460-F670 VanDerWaalsContact CD2-CE1 3.45Å; L460-F670 HydrophobicContact CD2-CE2 4.47Å; L460-F670 HydrophobicContact CD2-CG 3.94Å; L460-F670 HydrophobicContact CD2-CZ 4.02Å; L460-F670 HydrophobicContact CG-CD1 4.43Å; L460-F670 HydrophobicContact CG-CE1 4.02Å; L460-F670 HydrophobicContact CG-CZ 4.47Å; L665-F670 HydrophobicContact CD2-CE1 4.11Å; L665-F670 HydrophobicContact CD2-CZ 4.31Å; F668-F670 HydrophobicContact CB-CE1 4.35Å; F668-F670 HydrophobicContact CB-CZ 4.42Å; F668-F670 AromaticContact CD1-CD1 3.4Å; F668-F670 HydrophobicContact CD1-CD1 3.4Å; F668-F670 VanDerWaalsContact CD1-CD1 3.4Å; F668-F670 AromaticContact CD1-CE1 3.35Å; F668-F670 HydrophobicContact CD1-CE1 3.35Å; F668-F670 HydrophobicContact CD1-CG 4.24Å; F668-F670 HydrophobicContact CD1-CZ 4.13Å; F668-F670 AromaticContact CE1-CD1 3.71Å; F668-F670 HydrophobicContact CE1-CD1 3.71Å; F668-F670 HydrophobicContact CE1-CE1 4.03Å; F668-F670 HydrophobicContact CG-CE1 4.22Å; F670-L675 HydrophobicContact CB-CD1 4.05Å
671	D	77.3	Confident	77.6	Confident	45 Å²	45	53 Å²	53	24%	0.241	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-89.7	117	164.9	175.9	24.6	0	0	0	110	H449 H457 D673 L674 L675	H449-D671 IonicContact CE1-OD2 3.39Å; H449-D671 PolarHBondContact CE1-OD2 3.27Å; H449-D671 VanDerWaalsContact CE1-OD2 3.23Å; H449-D671 IonicContact NE2-OD2 3.48Å; H457-D671 PolarHBondContact NE2-N 3.08Å; D671-D673 VanDerWaalsContact C-N 3.33Å; D671-D673 PolarHBondContact O-N 2.94Å; D671-D673 PolarHBondContact OD1-N 2.99Å; D671-L674 HydrophobicContact CB-CB 3.95Å; D671-L674 PolarHBondContact O-N 3.2Å; D671-L674 WeakPolarHBondContact OD2-CB 3.41Å; D671-L674 PolarHBondContact OD2-N 3.2Å; D671-L675 WeakPolarHBondContact O-CG 3.32Å; D671-L675 PolarHBondContact O-N 3.3Å
672	E	78.1	Confident	78.1	Confident	98 Å²	98	53 Å²	53	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-34.9	176.8	-78.9	-68	137.2	0	0	113	R425 E676	R425-E672 IonicContact NH2-OE2 3.73Å; E672-E676 WeakPolarHBondContact O-CB 3.25Å; E672-E676 PolarHBondContact O-N 3.33Å
673	D	80.5	Confident	78.6	Confident	32 Å²	32	50 Å²	50	17%	0.171	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-43.8	176.6	-102.7	28.4	0	0	0	110.1	L426 R441 L445 D671 E676 V677	L426-D673 HydrophobicContact CD1-CB 4.41Å; R441-D673 IonicContact CZ-OD2 3.88Å; R441-D673 IonicContact NE-OD2 3.92Å; R441-D673 IonicContact NH2-OD2 3.58Å; R441-D673 PolarHBondContact NH2-OD2 3.11Å; L445-D673 HydrophobicContact CD1-CB 3.98Å; L445-D673 HydrophobicContact CD2-CB 3.93Å; D671-D673 VanDerWaalsContact C-N 3.33Å; D671-D673 PolarHBondContact O-N 2.94Å; D671-D673 PolarHBondContact OD1-N 2.99Å; D673-E676 WeakPolarHBondContact O-CB 3.48Å; D673-E676 PolarHBondContact O-N 2.72Å; D673-V677 WeakPolarHBondContact O-CG2 3.24Å; D673-V677 PolarHBondContact O-N 3.38Å; D673-V677 VanDerWaalsContact O-N 3.14Å
674	L	81	Confident	78.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-39.6	177.6	-173.9	62.5	0	0	0	112.7	L446 H449 H457 D671 E676 V677 F678	L446-L674 HydrophobicContact CD2-CD1 4.25Å; H449-L674 HydrophobicContact CB-CD2 4.24Å; H457-L674 HydrophobicContact CB-CD2 4.21Å; H457-L674 HydrophobicContact CB-CG 4.47Å; D671-L674 HydrophobicContact CB-CB 3.95Å; D671-L674 PolarHBondContact O-N 3.2Å; D671-L674 WeakPolarHBondContact OD2-CB 3.41Å; D671-L674 PolarHBondContact OD2-N 3.2Å; L674-E676 VanDerWaalsContact C-N 3.3Å; L674-E676 PolarHBondContact O-N 3.06Å; L674-V677 PolarHBondContact O-N 2.9Å; L674-F678 HydrophobicContact CD1-CD2 4.29Å; L674-F678 HydrophobicContact CD1-CE2 3.52Å; L674-F678 HydrophobicContact CD1-CZ 3.74Å; L674-F678 HydrophobicContact CD2-CE2 4.18Å; L674-F678 HydrophobicContact CG-CD2 4.14Å; L674-F678 HydrophobicContact CG-CE2 3.59Å; L674-F678 HydrophobicContact CG-CZ 4.32Å; L674-F678 VanDerWaalsContact O-CD2 3.27Å; L674-F678 WeakPolarHBondContact O-CD2 3.28Å; L674-F678 PolarHBondContact O-N 3.33Å
675	L	81.6	Confident	79.5	Confident	15 Å²	15	41.7 Å²	41.7	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-40.9	170.9	-73.8	-179.1	0	0	0	111.5	H457 L460 L461 F670 D671 V677 F678 K679	H457-L675 HydrophobicContact CB-CD2 4.31Å; L460-L675 HydrophobicContact CD2-CD1 3.96Å; L460-L675 HydrophobicContact CD2-CD2 3.76Å; L461-L675 HydrophobicContact CB-CD2 4.42Å; F670-L675 HydrophobicContact CB-CD1 4.05Å; D671-L675 WeakPolarHBondContact O-CG 3.32Å; D671-L675 PolarHBondContact O-N 3.3Å; L675-V677 VanDerWaalsContact C-N 3.34Å; L675-V677 PolarHBondContact O-N 3.09Å; L675-F678 PolarHBondContact O-N 3.34Å; L675-K679 WeakPolarHBondContact O-CG 3.47Å; L675-K679 PolarHBondContact O-N 3Å
676	E	82.4	Confident	80.1	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-42.8	177.6	-158.6	174.8	132.9	0	0	111.4	S424 R425 L426 E672 D673 L674 F678 K679 F682	S424-E676 WeakPolarHBondContact CA-OE1 3.34Å; S424-E676 WeakPolarHBondContact CB-OE1 3.46Å; S424-E676 PolarHBondContact OG-OE1 2.89Å; R425-E676 IonicContact CZ-OE2 3.43Å; R425-E676 PolarHBondContact N-OE1 3.09Å; R425-E676 IonicContact NE-OE2 3.74Å; R425-E676 PolarHBondContact NE-OE2 3.46Å; R425-E676 IonicContact NH2-OE2 2.73Å; R425-E676 PolarHBondContact NH2-OE2 3.08Å; L426-E676 HydrophobicContact CD1-CB 4.31Å; L426-E676 PolarHBondContact N-OE1 3.12Å; L426-E676 VanDerWaalsContact N-OE1 3.09Å; E672-E676 WeakPolarHBondContact O-CB 3.25Å; E672-E676 PolarHBondContact O-N 3.33Å; D673-E676 WeakPolarHBondContact O-CB 3.48Å; D673-E676 PolarHBondContact O-N 2.72Å; L674-E676 VanDerWaalsContact C-N 3.3Å; L674-E676 PolarHBondContact O-N 3.06Å; E676-F678 VanDerWaalsContact C-N 3.29Å; E676-F678 PolarHBondContact O-N 3.04Å; E676-K679 WeakPolarHBondContact O-CB 3.47Å; E676-K679 PolarHBondContact O-N 3.4Å; E676-F682 HydrophobicContact CG-CD2 4.39Å; E676-F682 WeakPolarHBondContact O-CB 3.48Å; E676-F682 WeakPolarHBondContact O-CG 3.26Å
677	V	84.3	Confident	80.8	Confident	10 Å²	10	34.8 Å²	34.8	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-29.6	176.2	171.1	0	0	0	0	113.6	L426 A442 L445 D673 L674 L675 F682 Q683	L426-V677 HydrophobicContact CD1-CG2 3.88Å; A442-V677 HydrophobicContact CB-CG1 4.12Å; A442-V677 HydrophobicContact CB-CG2 4.32Å; L445-V677 HydrophobicContact CD1-CG2 3.93Å; D673-V677 WeakPolarHBondContact O-CG2 3.24Å; D673-V677 PolarHBondContact O-N 3.38Å; D673-V677 VanDerWaalsContact O-N 3.14Å; L674-V677 PolarHBondContact O-N 2.9Å; L675-V677 VanDerWaalsContact C-N 3.34Å; L675-V677 PolarHBondContact O-N 3.09Å; V677-F682 HydrophobicContact CB-CE1 4.2Å; V677-F682 HydrophobicContact CG1-CE1 4.23Å; V677-F682 HydrophobicContact CG2-CE1 4.08Å; V677-F682 HydrophobicContact CG2-CZ 4.05Å; V677-F682 WeakPolarHBondContact O-CD1 3.36Å; V677-Q683 PolarHBondContact O-NE2 2.89Å
678	F	83.1	Confident	81.9	Confident	14 Å²	14	31.8 Å²	31.8	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-88.7	-6.8	179.4	-64.5	-45.2	0	0	0	114.8	L446 I454 H457 L458 L461 R504 L674 L675 E676	L446-F678 HydrophobicContact CD2-CE1 3.88Å; L446-F678 HydrophobicContact CD2-CZ 3.67Å; I454-F678 HydrophobicContact CG2-CZ 3.94Å; H457-F678 HydrophobicContact CB-CD2 4.04Å; H457-F678 HydrophobicContact CB-CE2 3.94Å; L458-F678 HydrophobicContact CD2-CB 4.31Å; L458-F678 HydrophobicContact CD2-CD1 3.54Å; L458-F678 HydrophobicContact CD2-CD2 4.17Å; L458-F678 HydrophobicContact CD2-CE1 3.82Å; L458-F678 HydrophobicContact CD2-CE2 4.39Å; L458-F678 HydrophobicContact CD2-CG 3.76Å; L458-F678 HydrophobicContact CD2-CZ 4.24Å; L458-F678 HydrophobicContact CG-CD1 4.29Å; L458-F678 HydrophobicContact CG-CD2 4.26Å; L458-F678 HydrophobicContact CG-CE1 4.19Å; L458-F678 HydrophobicContact CG-CE2 4.13Å; L458-F678 HydrophobicContact CG-CG 4.35Å; L458-F678 HydrophobicContact CG-CZ 4.12Å; L461-F678 HydrophobicContact CD2-CB 3.44Å; L461-F678 VanDerWaalsContact CD2-CB 3.44Å; L461-F678 WeakPolarHBondContact CD2-O 3.46Å; R504-F678 PolarHBondContact NH1-O 3.24Å; L674-F678 HydrophobicContact CD1-CD2 4.29Å; L674-F678 HydrophobicContact CD1-CE2 3.52Å; L674-F678 HydrophobicContact CD1-CZ 3.74Å; L674-F678 HydrophobicContact CD2-CE2 4.18Å; L674-F678 HydrophobicContact CG-CD2 4.14Å; L674-F678 HydrophobicContact CG-CE2 3.59Å; L674-F678 HydrophobicContact CG-CZ 4.32Å; L674-F678 VanDerWaalsContact O-CD2 3.27Å; L674-F678 WeakPolarHBondContact O-CD2 3.28Å; L674-F678 PolarHBondContact O-N 3.33Å; L675-F678 PolarHBondContact O-N 3.34Å; E676-F678 VanDerWaalsContact C-N 3.29Å; E676-F678 PolarHBondContact O-N 3.04Å
679	K	84.3	Confident	82.6	Confident	44 Å²	44	29.1 Å²	29.1	19%	0.191	14%	0.137	C	C	.	.			trans	-63.2	134.4	177.6	-76.1	170.7	-170.8	167.5	0	110.5	F422 L461 L675 E676 D681 F682 Q683	F422-K679 HydrophobicContact CE2-CD 3.98Å; F422-K679 HydrophobicContact CZ-CB 4.34Å; F422-K679 HydrophobicContact CZ-CD 3.95Å; L461-K679 HydrophobicContact CD1-CG 4.06Å; L461-K679 HydrophobicContact CD2-CG 4.17Å; L675-K679 WeakPolarHBondContact O-CG 3.47Å; L675-K679 PolarHBondContact O-N 3Å; E676-K679 WeakPolarHBondContact O-CB 3.47Å; E676-K679 PolarHBondContact O-N 3.4Å; K679-D681 VanDerWaalsContact C-N 3.26Å; K679-D681 PolarHBondContact O-N 2.93Å; K679-F682 HydrophobicContact CB-CB 4.03Å; K679-F682 WeakPolarHBondContact O-CB 3.23Å; K679-F682 PolarHBondContact O-N 3.41Å; K679-F682 VanDerWaalsContact O-N 3.14Å; K679-Q683 WeakPolarHBondContact O-CG 3.22Å; K679-Q683 PolarHBondContact O-N 3.35Å
680	T	85	Confident	83.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-40.7	-178.6	-43.2	0	0	0	0	110.3	F417 R504 T507 F682 Q683 L684	F417-T680 HydrophobicContact CD1-CG2 4.27Å; F417-T680 HydrophobicContact CD2-CG2 4.05Å; F417-T680 VanDerWaalsContact CE1-CB 3.46Å; F417-T680 HydrophobicContact CE1-CG2 4.06Å; F417-T680 WeakPolarHBondContact CE1-OG1 2.97Å; F417-T680 HydrophobicContact CE2-CG2 3.79Å; F417-T680 HydrophobicContact CG-CG2 4.28Å; F417-T680 HydrophobicContact CZ-CG2 3.82Å; F417-T680 WeakPolarHBondContact CZ-OG1 3.45Å; R504-T680 HydrophobicContact CB-CG2 4.18Å; R504-T680 PolarHBondContact NH1-OG1 3.35Å; T507-T680 HydrophobicContact CG2-CG2 4.43Å; T680-F682 PolarHBondContact O-N 2.83Å; T680-Q683 PolarHBondContact O-N 2.85Å; T680-L684 HydrophobicContact CG2-CD1 4.02Å; T680-L684 HydrophobicContact CG2-CG 4.31Å; T680-L684 WeakPolarHBondContact O-CB 3.38Å; T680-L684 WeakPolarHBondContact O-CG 3.37Å; T680-L684 PolarHBondContact O-N 3Å
681	D	84.1	Confident	83.5	Confident	7 Å²	7	26.9 Å²	26.9	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-40.4	175.4	-52	-94.8	0	0	0	113.3	F417 R418 F422 K679 L684 R685	F417-D681 VanDerWaalsContact CA-OD1 3.28Å; F417-D681 WeakPolarHBondContact CA-OD1 3.33Å; F417-D681 WeakPolarHBondContact CB-OD1 3.27Å; R418-D681 PolarHBondContact N-OD1 2.87Å; F422-D681 HydrophobicContact CB-CB 3.83Å; F422-D681 HydrophobicContact CD1-CB 3.86Å; F422-D681 HydrophobicContact CD2-CB 3.73Å; F422-D681 HydrophobicContact CE1-CB 4.36Å; F422-D681 HydrophobicContact CE2-CB 4.25Å; F422-D681 HydrophobicContact CG-CB 3.52Å; K679-D681 VanDerWaalsContact C-N 3.26Å; K679-D681 PolarHBondContact O-N 2.93Å; D681-L684 PolarHBondContact O-N 3Å; D681-R685 PolarHBondContact O-N 3.09Å
682	F	85.8	Confident	83.5	Confident	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-63.2	-46.8	173.7	178.5	-84.9	0	0	0	110.8	F422 L426 L427 V438 E676 V677 K679 T680 R685 L686	F422-F682 HydrophobicContact CE1-CB 3.81Å; F422-F682 HydrophobicContact CE1-CD2 4.43Å; F422-F682 HydrophobicContact CZ-CB 4.21Å; L426-F682 HydrophobicContact CB-CE2 3.78Å; L426-F682 HydrophobicContact CB-CZ 4.41Å; L427-F682 HydrophobicContact CD1-CB 4.45Å; L427-F682 HydrophobicContact CD1-CD2 3.33Å; L427-F682 HydrophobicContact CD1-CE2 3.59Å; L427-F682 HydrophobicContact CD1-CG 3.92Å; L427-F682 HydrophobicContact CD1-CZ 4.38Å; L427-F682 HydrophobicContact CG-CD2 3.88Å; L427-F682 HydrophobicContact CG-CE2 3.59Å; L427-F682 HydrophobicContact CG-CZ 4.32Å; V438-F682 HydrophobicContact CG1-CE2 4.39Å; V438-F682 HydrophobicContact CG1-CZ 3.81Å; E676-F682 HydrophobicContact CG-CD2 4.39Å; E676-F682 WeakPolarHBondContact O-CB 3.48Å; E676-F682 WeakPolarHBondContact O-CG 3.26Å; V677-F682 HydrophobicContact CB-CE1 4.2Å; V677-F682 HydrophobicContact CG1-CE1 4.23Å; V677-F682 HydrophobicContact CG2-CE1 4.08Å; V677-F682 HydrophobicContact CG2-CZ 4.05Å; V677-F682 WeakPolarHBondContact O-CD1 3.36Å; K679-F682 HydrophobicContact CB-CB 4.03Å; K679-F682 WeakPolarHBondContact O-CB 3.23Å; K679-F682 PolarHBondContact O-N 3.41Å; K679-F682 VanDerWaalsContact O-N 3.14Å; T680-F682 PolarHBondContact O-N 2.83Å; F682-R685 PolarHBondContact O-N 3.01Å; F682-L686 HydrophobicContact CE1-CB 4.42Å; F682-L686 HydrophobicContact CE1-CD2 3.83Å; F682-L686 VanDerWaalsContact O-CB 3.27Å; F682-L686 WeakPolarHBondContact O-CB 3.41Å; F682-L686 PolarHBondContact O-N 2.9Å
683	Q	86.6	Confident	83.6	Confident	18 Å²	18	21.2 Å²	21.2	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-40	178.4	-65.7	176.6	-4.3	0	0	111.7	T507 V677 K679 T680 L686 L687	T507-Q683 HydrophobicContact CG2-CB 3.51Å; V677-Q683 PolarHBondContact O-NE2 2.89Å; K679-Q683 WeakPolarHBondContact O-CG 3.22Å; K679-Q683 PolarHBondContact O-N 3.35Å; T680-Q683 PolarHBondContact O-N 2.85Å; Q683-L686 PolarHBondContact O-N 3.3Å; Q683-L687 WeakPolarHBondContact O-CB 3.27Å; Q683-L687 VanDerWaalsContact O-CG 3.23Å; Q683-L687 WeakPolarHBondContact O-CG 3.47Å; Q683-L687 PolarHBondContact O-N 3.07Å
684	L	86.6	Confident	83.5	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.2	-74.4	165	0	0	0	111.1	F417 P419 E503 T507 T680 D681 W688 A693	F417-L684 HydrophobicContact CB-CD1 4.09Å; F417-L684 HydrophobicContact CG-CD1 4.41Å; P419-L684 HydrophobicContact CB-CB 3.98Å; P419-L684 HydrophobicContact CB-CD1 4.4Å; P419-L684 HydrophobicContact CG-CB 4.38Å; P419-L684 HydrophobicContact CG-CD1 4.17Å; E503-L684 HydrophobicContact CG-CD2 4.41Å; E503-L684 WeakPolarHBondContact OE1-CD2 3.28Å; T507-L684 HydrophobicContact CG2-CG 4.42Å; T680-L684 HydrophobicContact CG2-CD1 4.02Å; T680-L684 HydrophobicContact CG2-CG 4.31Å; T680-L684 WeakPolarHBondContact O-CB 3.38Å; T680-L684 WeakPolarHBondContact O-CG 3.37Å; T680-L684 PolarHBondContact O-N 3Å; D681-L684 PolarHBondContact O-N 3Å; L684-W688 HydrophobicContact CD2-CE3 3.92Å; L684-W688 HydrophobicContact CD2-CZ3 3.71Å; L684-W688 PolarHBondContact O-N 3.35Å; L684-A693 HydrophobicContact CB-CB 4.29Å
685	R	86.3	Confident	83.6	Confident	13 Å²	13	25.9 Å²	25.9	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-45.3	173.2	-83	-162.8	173.2	-169.5	4.1	112.7	P419 A420 F422 L427 N431 D681 F682 L687 G689	P419-R685 HydrophobicContact CB-CG 4.37Å; P419-R685 PolarHBondContact O-NE 3Å; P419-R685 PolarHBondContact O-NH2 3.34Å; A420-R685 PolarHBondContact O-NH2 2.93Å; F422-R685 PolarHBondContact O-NE 3.07Å; F422-R685 PolarHBondContact O-NH1 3.49Å; F422-R685 PolarHBondContact O-NH2 3.42Å; F422-R685 VanDerWaalsContact O-NH2 3.15Å; L427-R685 HydrophobicContact CD1-CB 3.67Å; N431-R685 PolarHBondContact ND2-O 2.94Å; D681-R685 PolarHBondContact O-N 3.09Å; F682-R685 PolarHBondContact O-N 3.01Å; R685-L687 VanDerWaalsContact C-N 3.34Å; R685-L687 PolarHBondContact O-N 3.01Å; R685-G689 WeakPolarHBondContact O-CA 3.37Å; R685-G689 PolarHBondContact O-N 2.97Å
686	L	86.6	Confident	83.6	Confident	17 Å²	17	30.2 Å²	30.2	9%	0.089	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-40.8	-177.1	178.9	59.7	0	0	0	112.1	L434 V438 L439 F682 Q683	L434-L686 WeakPolarHBondContact CA-O 3.23Å; L434-L686 PolarHBondContact N-O 2.95Å; V438-L686 HydrophobicContact CB-CD1 3.97Å; V438-L686 HydrophobicContact CG1-CD1 3.82Å; L439-L686 HydrophobicContact CD2-CD1 4.01Å; L439-L686 HydrophobicContact CD2-CD2 4.1Å; L439-L686 HydrophobicContact CD2-CG 4.16Å; L439-L686 HydrophobicContact CG-CD1 4.12Å; F682-L686 HydrophobicContact CE1-CB 4.42Å; F682-L686 HydrophobicContact CE1-CD2 3.83Å; F682-L686 VanDerWaalsContact O-CB 3.27Å; F682-L686 WeakPolarHBondContact O-CB 3.41Å; F682-L686 PolarHBondContact O-N 2.9Å; Q683-L686 PolarHBondContact O-N 3.3Å
687	L	86.6	Confident	83.5	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-78.1	-56.2	-178.6	-65.4	170.5	0	0	0	111.7	P433 L434 T507 I510 V514 Q683 R685 F704	P433-L687 VanDerWaalsContact CB-O 3.25Å; P433-L687 WeakPolarHBondContact CB-O 3.5Å; L434-L687 HydrophobicContact CD2-CD2 3.99Å; T507-L687 HydrophobicContact CG2-CD1 4.08Å; I510-L687 HydrophobicContact CB-CD1 4.29Å; I510-L687 HydrophobicContact CG2-CD1 3.78Å; I510-L687 HydrophobicContact CG2-CD2 4Å; V514-L687 HydrophobicContact CB-CD2 4.2Å; V514-L687 HydrophobicContact CG1-CD2 4.31Å; V514-L687 HydrophobicContact CG2-CD2 3.73Å; Q683-L687 WeakPolarHBondContact O-CB 3.27Å; Q683-L687 VanDerWaalsContact O-CG 3.23Å; Q683-L687 WeakPolarHBondContact O-CG 3.47Å; Q683-L687 PolarHBondContact O-N 3.07Å; R685-L687 VanDerWaalsContact C-N 3.34Å; R685-L687 PolarHBondContact O-N 3.01Å; L687-F704 HydrophobicContact CB-CE1 4.27Å; L687-F704 HydrophobicContact CB-CE2 4.28Å; L687-F704 HydrophobicContact CB-CZ 3.81Å; L687-F704 HydrophobicContact CD2-CE1 3.73Å; L687-F704 HydrophobicContact CD2-CZ 4.04Å; L687-F704 WeakPolarHBondContact O-CE2 3.4Å; L687-F704 VanDerWaalsContact O-CZ 3.23Å; L687-F704 WeakPolarHBondContact O-CZ 3.43Å
688	W	86.9	Confident	83.1	Confident	20 Å²	20	34.1 Å²	34.1	8%	0.076	18%	0.183	C	C	.	.	H	α-helix	trans	-99.8	-9.3	-170.8	-64.7	-81.3	0	0	0	114.9	T507 I510 L684 G692 R700 Y701 F704	T507-W688 HydrophobicContact CG2-CZ3 4.15Å; I510-W688 HydrophobicContact CD1-CH2 4.07Å; I510-W688 HydrophobicContact CD1-CZ2 3.98Å; L684-W688 HydrophobicContact CD2-CE3 3.92Å; L684-W688 HydrophobicContact CD2-CZ3 3.71Å; L684-W688 PolarHBondContact O-N 3.35Å; W688-G692 VanDerWaalsContact O-CA 3.28Å; W688-G692 WeakPolarHBondContact O-CA 3.4Å; W688-R700 HydrophobicContact CD2-CB 4.29Å; W688-R700 HydrophobicContact CD2-CG 4.14Å; W688-R700 HydrophobicContact CG-CB 4.37Å; W688-R700 HydrophobicContact CG-CG 3.86Å; W688-R700 HydrophobicContact CZ2-CB 4.21Å; W688-R700 VanDerWaalsContact NE1-CB 3.34Å; W688-R700 PolarHBondContact NE1-O 3.44Å; W688-Y701 HydrophobicContact CH2-CD1 4.21Å; W688-Y701 AromaticContact CH2-CE1 3.99Å; W688-Y701 HydrophobicContact CH2-CE1 3.99Å; W688-Y701 AromaticContact CZ2-CD1 3.82Å; W688-Y701 HydrophobicContact CZ2-CD1 3.82Å; W688-Y701 HydrophobicContact CZ2-CE1 4.03Å; W688-F704 AromaticContact CD1-CD2 3.64Å; W688-F704 AromaticContact CD1-CE2 3.64Å; W688-F704 HydrophobicContact CD2-CE2 4.39Å; W688-F704 AromaticContact CE2-CD2 3.67Å; W688-F704 AromaticContact CE2-CE2 3.98Å; W688-F704 HydrophobicContact CG-CD2 4.48Å; W688-F704 HydrophobicContact CG-CE2 4.18Å; W688-F704 HydrophobicContact CZ2-CD2 4.14Å; W688-F704 HydrophobicContact CZ2-CG 4.25Å; W688-F704 AromaticContact NE1-CD2 3.08Å; W688-F704 AromaticContact NE1-CE2 3.52Å; W688-F704 AromaticContact NE1-CG 3.96Å
689	G	86.3	Confident	83	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.01	20%	0.197	C	C	.	.			trans	76.5	154.8	-176.6	0	0	0	0	0	113	R685 R691 G692 A693	R685-G689 WeakPolarHBondContact O-CA 3.37Å; R685-G689 PolarHBondContact O-N 2.97Å; G689-R691 VanDerWaalsContact C-N 3.27Å; G689-R691 PolarHBondContact O-N 3.08Å; G689-R691 VanDerWaalsContact O-N 3.08Å; G689-G692 PolarHBondContact O-N 3.18Å; G689-A693 PolarHBondContact O-N 3.42Å
690	S	81.8	Confident	83	Confident	26 Å²	26	35.2 Å²	35.2	18%	0.182	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-32	-54.4	174	50.9	0	0	0	0	114.7	N431	N431-S690 PolarHBondContact O-N 3.25Å; N431-S690 PolarHBondContact O-OG 3.16Å; N431-S690 PolarHBondContact OD1-N 2.92Å
691	R	78	Confident	83	Confident	191 Å²	191	35.6 Å²	35.6	72%	0.721	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.6	-178.2	-55.1	-175.7	-171.7	-170.7	3.2	114.7	E430 G689	E430-R691 IonicContact OE1-CZ 3.76Å; E430-R691 IonicContact OE1-NE 3.44Å; E430-R691 PolarHBondContact OE1-NE 2.68Å; E430-R691 IonicContact OE1-NH2 3.75Å; E430-R691 PolarHBondContact OE1-NH2 3.18Å; E430-R691 IonicContact OE2-NH2 2.74Å; G689-R691 VanDerWaalsContact C-N 3.27Å; G689-R691 PolarHBondContact O-N 3.08Å; G689-R691 VanDerWaalsContact O-N 3.08Å
692	G	78.2	Confident	82.9	Confident	20 Å²	20	39.2 Å²	39.2	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-24.4	-178.6	0	0	0	0	0	114	W688 G689 A694 V695 R700	W688-G692 VanDerWaalsContact O-CA 3.28Å; W688-G692 WeakPolarHBondContact O-CA 3.4Å; G689-G692 PolarHBondContact O-N 3.18Å; G692-A694 VanDerWaalsContact C-N 3.27Å; G692-A694 PolarHBondContact O-N 3.33Å; G692-V695 VanDerWaalsContact O-CB 3.31Å; G692-V695 WeakPolarHBondContact O-CB 3.31Å; G692-V695 WeakPolarHBondContact O-CG2 3.36Å; G692-V695 PolarHBondContact O-N 3.1Å; G692-V695 VanDerWaalsContact O-N 3.16Å; G692-R700 WeakPolarHBondContact O-CD 3.41Å
693	A	79.7	Confident	82.8	Confident	3 Å²	3	44.7 Å²	44.7	3%	0.025	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.6	179.7	0	0	0	0	0	113.2	P419 L684 G689 V695 R700	P419-A693 HydrophobicContact CB-CB 3.71Å; P419-A693 HydrophobicContact CG-CB 3.8Å; L684-A693 HydrophobicContact CB-CB 4.29Å; G689-A693 PolarHBondContact O-N 3.42Å; A693-V695 PolarHBondContact O-N 2.97Å; A693-R700 PolarHBondContact O-NE 2.89Å
694	A	78.3	Confident	82.7	Confident	79 Å²	79	44.1 Å²	44.1	65%	0.653	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	1.6	177	0	0	0	0	0	114.7	G692	G692-A694 VanDerWaalsContact C-N 3.27Å; G692-A694 PolarHBondContact O-N 3.33Å
695	V	82.7	Confident	82.7	Confident	51 Å²	51	45 Å²	45	31%	0.309	24%	0.237	S	C	.	.	S	Bend	trans	-80.3	154.9	177.8	178.5	0	0	0	0	110.5	G692 A693 Q697 D699 R700	G692-V695 VanDerWaalsContact O-CB 3.31Å; G692-V695 WeakPolarHBondContact O-CB 3.31Å; G692-V695 WeakPolarHBondContact O-CG2 3.36Å; G692-V695 PolarHBondContact O-N 3.1Å; G692-V695 VanDerWaalsContact O-N 3.16Å; A693-V695 PolarHBondContact O-N 2.97Å; V695-Q697 PolarHBondContact O-N 2.95Å; V695-D699 HydrophobicContact CG1-CB 3.92Å; V695-R700 HydrophobicContact CB-CG 4.12Å; V695-R700 PolarHBondContact O-NE 3.06Å
696	N	81.7	Confident	82.8	Confident	106 Å²	106	50.4 Å²	50.4	57%	0.567	27%	0.267	S	S	*	.			trans	-43.9	135.9	173.8	-59.1	-34.5	0	0	0	112.7	S698 D699 R700	N696-S698 VanDerWaalsContact C-N 3.32Å; N696-S698 PolarHBondContact O-N 2.87Å; N696-D699 HydrophobicContact CB-CB 4.34Å; N696-D699 PolarHBondContact ND2-OD2 3Å; N696-D699 PolarHBondContact O-N 3.21Å; N696-R700 WeakPolarHBondContact O-CB 3.31Å; N696-R700 PolarHBondContact O-N 3.13Å
697	Q	80.1	Confident	82.9	Confident	60 Å²	60	52.6 Å²	52.6	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-52.3	-45.7	177.7	-73	175.9	-4.2	0	0	112.5	E503 V695 D699 R700 Y701	E503-Q697 PolarHBondContact OE2-NE2 2.89Å; V695-Q697 PolarHBondContact O-N 2.95Å; Q697-D699 PolarHBondContact O-N 3.2Å; Q697-R700 WeakPolarHBondContact O-CB 3.48Å; Q697-R700 PolarHBondContact O-N 3.32Å; Q697-Y701 HydrophobicContact CB-CD2 4.34Å; Q697-Y701 HydrophobicContact CB-CE2 3.68Å; Q697-Y701 HydrophobicContact CG-CE2 4.32Å; Q697-Y701 WeakPolarHBondContact O-CD1 3.42Å; Q697-Y701 WeakPolarHBondContact O-CD2 3.42Å; Q697-Y701 PolarHBondContact O-N 3.02Å
698	S	77.3	Confident	83	Confident	40 Å²	40	52.4 Å²	52.4	28%	0.28	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-50.7	177.7	49.6	0	0	0	0	113.3	N696 R700 Y701 N702	N696-S698 VanDerWaalsContact C-N 3.32Å; N696-S698 PolarHBondContact O-N 2.87Å; S698-R700 VanDerWaalsContact C-N 3.29Å; S698-R700 PolarHBondContact O-N 3.35Å; S698-Y701 PolarHBondContact O-N 3.47Å; S698-N702 VanDerWaalsContact O-CB 3.26Å; S698-N702 WeakPolarHBondContact O-CB 3.25Å; S698-N702 PolarHBondContact O-N 2.91Å; S698-N702 PolarHBondContact O-ND2 3.45Å; S698-N702 VanDerWaalsContact O-ND2 3.17Å
699	D	80.6	Confident	83.1	Confident	66 Å²	66	53.2 Å²	53.2	35%	0.353	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-34.9	177.8	-68.9	-52.9	0	0	0	111.8	V695 N696 Q697 K703	V695-D699 HydrophobicContact CG1-CB 3.92Å; N696-D699 HydrophobicContact CB-CB 4.34Å; N696-D699 PolarHBondContact ND2-OD2 3Å; N696-D699 PolarHBondContact O-N 3.21Å; Q697-D699 PolarHBondContact O-N 3.2Å; D699-K703 WeakPolarHBondContact O-CB 3.45Å; D699-K703 VanDerWaalsContact O-CD 3.28Å; D699-K703 WeakPolarHBondContact O-CD 3.37Å; D699-K703 WeakPolarHBondContact O-CG 3.29Å; D699-K703 PolarHBondContact O-N 3.26Å
700	R	83.7	Confident	83.2	Confident	15 Å²	15	56.1 Å²	56.1	6%	0.057	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-49.2	174.6	-85.8	-161.8	-79.1	123.9	-11.3	112.2	E503 W688 G692 A693 V695 N696 Q697 S698 F704	E503-R700 IonicContact OE1-CZ 3.19Å; E503-R700 IonicContact OE1-NH1 3.58Å; E503-R700 PolarHBondContact OE1-NH1 3.49Å; E503-R700 IonicContact OE1-NH2 3.23Å; E503-R700 PolarHBondContact OE1-NH2 3.2Å; E503-R700 IonicContact OE2-NH2 2.77Å; W688-R700 HydrophobicContact CD2-CB 4.29Å; W688-R700 HydrophobicContact CD2-CG 4.14Å; W688-R700 HydrophobicContact CG-CB 4.37Å; W688-R700 HydrophobicContact CG-CG 3.86Å; W688-R700 HydrophobicContact CZ2-CB 4.21Å; W688-R700 VanDerWaalsContact NE1-CB 3.34Å; W688-R700 PolarHBondContact NE1-O 3.44Å; G692-R700 WeakPolarHBondContact O-CD 3.41Å; A693-R700 PolarHBondContact O-NE 2.89Å; V695-R700 HydrophobicContact CB-CG 4.12Å; V695-R700 PolarHBondContact O-NE 3.06Å; N696-R700 WeakPolarHBondContact O-CB 3.31Å; N696-R700 PolarHBondContact O-N 3.13Å; Q697-R700 WeakPolarHBondContact O-CB 3.48Å; Q697-R700 PolarHBondContact O-N 3.32Å; S698-R700 VanDerWaalsContact C-N 3.29Å; S698-R700 PolarHBondContact O-N 3.35Å; R700-F704 PolarHBondContact O-N 3.26Å; R700-F704 VanDerWaalsContact O-N 3.13Å
701	Y	84.6	Confident	83.4	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.035	31%	0.313	C	S	.	.	H	α-helix	trans	-73.2	-42.4	-176.9	-53	-25.8	0	0	0	111.6	H506 I510 W688 Q697 S698 K703 F704 N705	H506-Y701 AromaticContact CD2-CD1 3.55Å; H506-Y701 AromaticContact CD2-CD2 3.45Å; H506-Y701 VanDerWaalsContact CD2-CD2 3.45Å; H506-Y701 WeakPolarHBondContact CD2-CD2 3.32Å; H506-Y701 AromaticContact CD2-CE1 3.67Å; H506-Y701 AromaticContact CD2-CE2 3.56Å; H506-Y701 AromaticContact CD2-CG 3.46Å; H506-Y701 VanDerWaalsContact CD2-CG 3.46Å; H506-Y701 AromaticContact CD2-CZ 3.67Å; H506-Y701 AromaticContact NE2-CD1 3.95Å; H506-Y701 AromaticContact NE2-CD2 3.8Å; H506-Y701 AromaticContact NE2-CG 3.58Å; I510-Y701 HydrophobicContact CD1-CD1 4.06Å; W688-Y701 HydrophobicContact CH2-CD1 4.21Å; W688-Y701 AromaticContact CH2-CE1 3.99Å; W688-Y701 HydrophobicContact CH2-CE1 3.99Å; W688-Y701 AromaticContact CZ2-CD1 3.82Å; W688-Y701 HydrophobicContact CZ2-CD1 3.82Å; W688-Y701 HydrophobicContact CZ2-CE1 4.03Å; Q697-Y701 HydrophobicContact CB-CD2 4.34Å; Q697-Y701 HydrophobicContact CB-CE2 3.68Å; Q697-Y701 HydrophobicContact CG-CE2 4.32Å; Q697-Y701 WeakPolarHBondContact O-CD1 3.42Å; Q697-Y701 WeakPolarHBondContact O-CD2 3.42Å; Q697-Y701 PolarHBondContact O-N 3.02Å; S698-Y701 PolarHBondContact O-N 3.47Å; Y701-K703 VanDerWaalsContact C-N 3.33Å; Y701-K703 PolarHBondContact O-N 3.19Å; Y701-F704 PolarHBondContact O-N 3.5Å; Y701-N705 PolarHBondContact O-N 2.79Å; Y701-N705 PolarHBondContact O-OD1 3.43Å
702	N	82.8	Confident	84	Confident	83 Å²	83	48.3 Å²	48.3	44%	0.444	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-41.2	175.6	-74.6	-28.3	0	0	0	112.4	S698 L706	S698-N702 VanDerWaalsContact O-CB 3.26Å; S698-N702 WeakPolarHBondContact O-CB 3.25Å; S698-N702 PolarHBondContact O-N 2.91Å; S698-N702 PolarHBondContact O-ND2 3.45Å; S698-N702 VanDerWaalsContact O-ND2 3.17Å; N702-L706 WeakPolarHBondContact O-CG 3.49Å; N702-L706 PolarHBondContact O-N 2.95Å
703	K	84.7	Confident	84.4	Confident	116 Å²	116	54.9 Å²	54.9	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-40.6	173.3	-73.5	168.5	-170.6	165.8	0	111.7	D699 Y701 L706 I707	D699-K703 WeakPolarHBondContact O-CB 3.45Å; D699-K703 VanDerWaalsContact O-CD 3.28Å; D699-K703 WeakPolarHBondContact O-CD 3.37Å; D699-K703 WeakPolarHBondContact O-CG 3.29Å; D699-K703 PolarHBondContact O-N 3.26Å; Y701-K703 VanDerWaalsContact C-N 3.33Å; Y701-K703 PolarHBondContact O-N 3.19Å; K703-L706 PolarHBondContact O-N 3.35Å; K703-I707 WeakPolarHBondContact O-CG1 3.32Å; K703-I707 PolarHBondContact O-N 2.97Å; K703-I707 VanDerWaalsContact O-N 3.1Å
704	F	84.3	Confident	84.8	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.022	33%	0.33	C	S	.	.	H	α-helix	trans	-69.5	-38.4	179.3	-106.4	-99.4	0	0	0	113.5	L434 I510 V514 L687 W688 R700 Y701 L706 I707 L708	L434-F704 HydrophobicContact CD1-CE1 4.21Å; L434-F704 HydrophobicContact CD1-CZ 3.95Å; L434-F704 HydrophobicContact CD2-CE1 4.15Å; L434-F704 HydrophobicContact CD2-CZ 3.96Å; L434-F704 HydrophobicContact CG-CE1 4.49Å; L434-F704 HydrophobicContact CG-CZ 3.98Å; I510-F704 HydrophobicContact CD1-CB 4.45Å; I510-F704 HydrophobicContact CG2-CD1 3.54Å; I510-F704 HydrophobicContact CG2-CE1 4.06Å; I510-F704 HydrophobicContact CG2-CG 4.29Å; V514-F704 HydrophobicContact CG2-CD1 4.44Å; V514-F704 HydrophobicContact CG2-CE1 3.93Å; L687-F704 HydrophobicContact CB-CE1 4.27Å; L687-F704 HydrophobicContact CB-CE2 4.28Å; L687-F704 HydrophobicContact CB-CZ 3.81Å; L687-F704 HydrophobicContact CD2-CE1 3.73Å; L687-F704 HydrophobicContact CD2-CZ 4.04Å; L687-F704 WeakPolarHBondContact O-CE2 3.4Å; L687-F704 VanDerWaalsContact O-CZ 3.23Å; L687-F704 WeakPolarHBondContact O-CZ 3.43Å; W688-F704 AromaticContact CD1-CD2 3.64Å; W688-F704 AromaticContact CD1-CE2 3.64Å; W688-F704 HydrophobicContact CD2-CE2 4.39Å; W688-F704 AromaticContact CE2-CD2 3.67Å; W688-F704 AromaticContact CE2-CE2 3.98Å; W688-F704 HydrophobicContact CG-CD2 4.48Å; W688-F704 HydrophobicContact CG-CE2 4.18Å; W688-F704 HydrophobicContact CZ2-CD2 4.14Å; W688-F704 HydrophobicContact CZ2-CG 4.25Å; W688-F704 AromaticContact NE1-CD2 3.08Å; W688-F704 AromaticContact NE1-CE2 3.52Å; W688-F704 AromaticContact NE1-CG 3.96Å; R700-F704 PolarHBondContact O-N 3.26Å; R700-F704 VanDerWaalsContact O-N 3.13Å; Y701-F704 PolarHBondContact O-N 3.5Å; F704-L706 PolarHBondContact O-N 2.98Å; F704-I707 HydrophobicContact CD2-CD1 4.1Å; F704-I707 HydrophobicContact CE2-CD1 4.12Å; F704-I707 CarbonylContact O-C 3.58Å; F704-I707 WeakPolarHBondContact O-CA 3.3Å; F704-I707 PolarHBondContact O-N 3.35Å; F704-L708 HydrophobicContact CD1-CG 4.49Å; F704-L708 WeakPolarHBondContact O-CB 3.33Å; F704-L708 VanDerWaalsContact O-CG 3.29Å; F704-L708 WeakPolarHBondContact O-CG 3.38Å; F704-L708 PolarHBondContact O-N 2.99Å
705	N	86.3	Confident	85.1	Confident	19 Å²	19	60.7 Å²	60.7	10%	0.102	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-35.3	175.3	-71.8	5.9	0	0	0	111.8	Y701 T709	Y701-N705 PolarHBondContact O-N 2.79Å; Y701-N705 PolarHBondContact O-OD1 3.43Å; N705-T709 VanDerWaalsContact O-CB 3.25Å; N705-T709 WeakPolarHBondContact O-CB 3.46Å; N705-T709 PolarHBondContact O-N 3.37Å; N705-T709 PolarHBondContact O-OG1 3.09Å
706	L	87.4	Confident	85.2	Confident	128 Å²	128	58.9 Å²	58.9	67%	0.67	30%	0.296	S	S	*	.	H	α-helix	trans	-67.3	-41.9	171.2	-66.3	172.2	0	0	0	112.5	N702 K703 F704 T709 A710	N702-L706 WeakPolarHBondContact O-CG 3.49Å; N702-L706 PolarHBondContact O-N 2.95Å; K703-L706 PolarHBondContact O-N 3.35Å; F704-L706 PolarHBondContact O-N 2.98Å; L706-T709 PolarHBondContact O-N 3.34Å; L706-A710 WeakPolarHBondContact O-CB 3.25Å; L706-A710 PolarHBondContact O-N 2.73Å
707	I	88.9	Confident	85.2	Confident	63 Å²	63	58.3 Å²	58.3	32%	0.323	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-49.4	177	-67.8	163.8	0	0	0	111.1	L434 K703 F704 T709 A710 L711	L434-I707 HydrophobicContact CD1-CG2 4.17Å; K703-I707 WeakPolarHBondContact O-CG1 3.32Å; K703-I707 PolarHBondContact O-N 2.97Å; K703-I707 VanDerWaalsContact O-N 3.1Å; F704-I707 HydrophobicContact CD2-CD1 4.1Å; F704-I707 HydrophobicContact CE2-CD1 4.12Å; F704-I707 CarbonylContact O-C 3.58Å; F704-I707 WeakPolarHBondContact O-CA 3.3Å; F704-I707 PolarHBondContact O-N 3.35Å; I707-T709 VanDerWaalsContact C-N 3.31Å; I707-T709 PolarHBondContact O-N 3.14Å; I707-A710 PolarHBondContact O-N 3.2Å; I707-A710 VanDerWaalsContact O-N 3.12Å; I707-L711 HydrophobicContact CG2-CD1 3.92Å; I707-L711 HydrophobicContact CG2-CG 4.29Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 3.43Å
708	L	88.5	Confident	84.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-42.4	177.1	-64.4	170.2	0	0	0	110.8	A513 V514 L517 Q561 F704 A710 L711 S712	A513-L708 HydrophobicContact CB-CD1 4.43Å; A513-L708 HydrophobicContact CB-CD2 4.07Å; V514-L708 HydrophobicContact CG2-CD2 3.82Å; L517-L708 HydrophobicContact CD1-CB 4.05Å; L517-L708 HydrophobicContact CD1-CD2 3.84Å; Q561-L708 HydrophobicContact CB-CB 4.28Å; Q561-L708 HydrophobicContact CG-CB 4.01Å; F704-L708 HydrophobicContact CD1-CG 4.49Å; F704-L708 WeakPolarHBondContact O-CB 3.33Å; F704-L708 VanDerWaalsContact O-CG 3.29Å; F704-L708 WeakPolarHBondContact O-CG 3.38Å; F704-L708 PolarHBondContact O-N 2.99Å; L708-A710 PolarHBondContact O-N 3.13Å; L708-L711 PolarHBondContact O-N 3.45Å; L708-S712 WeakPolarHBondContact O-CB 3.26Å; L708-S712 PolarHBondContact O-N 3.34Å
709	T	88.9	Confident	83.7	Confident	37 Å²	37	61.5 Å²	61.5	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-40.5	175	-59.8	0	0	0	0	111.9	N705 L706 I707 R713	N705-T709 VanDerWaalsContact O-CB 3.25Å; N705-T709 WeakPolarHBondContact O-CB 3.46Å; N705-T709 PolarHBondContact O-N 3.37Å; N705-T709 PolarHBondContact O-OG1 3.09Å; L706-T709 PolarHBondContact O-N 3.34Å; I707-T709 VanDerWaalsContact C-N 3.31Å; I707-T709 PolarHBondContact O-N 3.14Å; T709-R713 WeakPolarHBondContact O-CB 3.29Å; T709-R713 VanDerWaalsContact O-CG 3.24Å; T709-R713 WeakPolarHBondContact O-CG 3.42Å; T709-R713 PolarHBondContact O-N 2.73Å
710	A	88.2	Confident	82	Confident	61 Å²	61	67.4 Å²	67.4	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-43.3	177.7	0	0	0	0	0	112.7	L706 I707 L708 R713 K714	L706-A710 WeakPolarHBondContact O-CB 3.25Å; L706-A710 PolarHBondContact O-N 2.73Å; I707-A710 PolarHBondContact O-N 3.2Å; I707-A710 VanDerWaalsContact O-N 3.12Å; L708-A710 PolarHBondContact O-N 3.13Å; A710-R713 PolarHBondContact O-N 2.98Å; A710-K714 WeakPolarHBondContact O-CB 3.5Å; A710-K714 PolarHBondContact O-N 2.66Å
711	L	87.2	Confident	80	Confident	54 Å²	54	71.9 Å²	71.9	28%	0.283	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-47.9	175.2	-71.1	174.6	0	0	0	111.1	L517 I707 L708 R713 K714 L715	L517-L711 HydrophobicContact CB-CB 4.2Å; I707-L711 HydrophobicContact CG2-CD1 3.92Å; I707-L711 HydrophobicContact CG2-CG 4.29Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 3.43Å; L708-L711 PolarHBondContact O-N 3.45Å; L711-R713 PolarHBondContact O-N 2.98Å; L711-K714 WeakPolarHBondContact O-CB 3.19Å; L711-K714 PolarHBondContact O-N 2.63Å; L711-K714 VanDerWaalsContact O-N 3.07Å; L711-L715 PolarHBondContact O-N 2.84Å
712	S	89.4	Confident	77.9	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-56.2	-49.6	175.2	179	0	0	0	0	111.5	Q561 R564 L708 K714 L715 E716	Q561-S712 VanDerWaalsContact O-CB 3.27Å; Q561-S712 WeakPolarHBondContact O-CB 3.45Å; Q561-S712 PolarHBondContact O-OG 2.94Å; R564-S712 PolarHBondContact NE-OG 3.02Å; R564-S712 PolarHBondContact NH2-O 3.28Å; R564-S712 PolarHBondContact NH2-OG 3.04Å; L708-S712 WeakPolarHBondContact O-CB 3.26Å; L708-S712 PolarHBondContact O-N 3.34Å; S712-K714 PolarHBondContact O-N 2.95Å; S712-L715 PolarHBondContact O-N 3.22Å; S712-E716 PolarHBondContact O-N 3.5Å
713	R	88.2	Confident	75.8	Confident	157 Å²	157	80 Å²	80	59%	0.592	41%	0.412	S	S	*	.	H	α-helix	trans	-64.9	-21.6	177.5	-73.9	174.7	-177.2	179.5	3.3	113.9	T709 A710 L711 P717	T709-R713 WeakPolarHBondContact O-CB 3.29Å; T709-R713 VanDerWaalsContact O-CG 3.24Å; T709-R713 WeakPolarHBondContact O-CG 3.42Å; T709-R713 PolarHBondContact O-N 2.73Å; A710-R713 PolarHBondContact O-N 2.98Å; L711-R713 PolarHBondContact O-N 2.98Å; R713-P717 WeakPolarHBondContact O-CA 3.47Å
714	K	86.6	Confident	73.2	Confident	166 Å²	166	79.7 Å²	79.7	72%	0.722	42%	0.42	S	S	*	.	H	α-helix	trans	-81	-33.1	174.3	-175.6	-173.9	174	-169.5	0	112.3	A710 L711 S712	A710-K714 WeakPolarHBondContact O-CB 3.5Å; A710-K714 PolarHBondContact O-N 2.66Å; L711-K714 WeakPolarHBondContact O-CB 3.19Å; L711-K714 PolarHBondContact O-N 2.63Å; L711-K714 VanDerWaalsContact O-N 3.07Å; S712-K714 PolarHBondContact O-N 2.95Å
715	L	84.4	Confident	70.7	Confident	39 Å²	39	90.8 Å²	90.8	20%	0.204	48%	0.479	C	S	.	.	H	α-helix	trans	-75	-50.6	176.1	-70.6	178.1	0	0	0	112.2	L517 L711 S712	L517-L715 HydrophobicContact CB-CD1 4.49Å; L517-L715 HydrophobicContact CD2-CD1 3.92Å; L711-L715 PolarHBondContact O-N 2.84Å; S712-L715 PolarHBondContact O-N 3.22Å
716	E	85.4	Confident	69.9	Low	12 Å²	12	94.4 Å²	94.4	6%	0.056	50%	0.498	C	S	.	.	S	Bend	trans	-127.9	90	-178.1	-69.7	-178.3	-145.5	0	0	108.9	R526 R564 L565 E566 E567 T568 S712	R526-E716 IonicContact CZ-OE1 2.8Å; R526-E716 IonicContact NE-OE1 3.88Å; R526-E716 IonicContact NH2-OE1 3.64Å; R526-E716 PolarHBondContact NH2-OE1 2.73Å; R564-E716 PolarHBondContact NH1-O 3.16Å; R564-E716 PolarHBondContact NH2-O 2.72Å; L565-E716 WeakPolarHBondContact CA-OE2 3.39Å; L565-E716 HydrophobicContact CD2-CB 3.99Å; L565-E716 HydrophobicContact CD2-CG 4.04Å; E566-E716 PolarHBondContact N-OE2 3.3Å; E566-E716 VanDerWaalsContact N-OE2 3.1Å; E567-E716 HydrophobicContact CB-CG 4.4Å; E567-E716 PolarHBondContact N-OE2 3.45Å; T568-E716 PolarHBondContact N-OE1 3.05Å; T568-E716 VanDerWaalsContact N-OE1 3.17Å; T568-E716 PolarHBondContact OG1-OE1 3.42Å; S712-E716 PolarHBondContact O-N 3.5Å
717	P	81.3	Confident	69	Low	94 Å²	94	92.6 Å²	92.6	61%	0.61	49%	0.489	S	S	*	.			trans	-68	135.7	-175.7	27.8	-34.3	0	0	0	111.1	R713 T719	R713-P717 WeakPolarHBondContact O-CA 3.47Å; P717-T719 PolarHBondContact O-N 3.05Å
718	V	72.3	Confident	67.9	Low	80 Å²	80	94.3 Å²	94.3	49%	0.485	50%	0.498	S	S	.	.			trans	-63.3	110	178.9	-177.5	0	0	0	0	109.4
719	T	54.4	Low	66.7	Low	88 Å²	88	99.8 Å²	99.8	54%	0.54	53%	0.528	S	S	.	.			trans	-68	143.2	173.5	53.3	0	0	0	0	109.6	P717 T721 Q722	P717-T719 PolarHBondContact O-N 3.05Å; T719-T721 PolarHBondContact O-N 2.98Å; T719-Q722 PolarHBondContact O-N 3.05Å
720	K	45.3	Very low	65.3	Low	190 Å²	190	103.8 Å²	103.8	83%	0.826	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-63.4	-9.4	-171.2	-67.5	-177.7	178.1	178.4	0	114.4	Q722	K720-Q722 VanDerWaalsContact C-N 3.32Å; K720-Q722 PolarHBondContact O-N 3.03Å
721	T	40	Very low	63.7	Low	108 Å²	108	106.6 Å²	106.6	66%	0.663	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-69.4	-22.1	-178.7	-17.9	0	0	0	0	114	T719	T719-T721 PolarHBondContact O-N 2.98Å
722	Q	40.9	Very low	62.1	Low	114 Å²	114	110.4 Å²	110.4	53%	0.533	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-89.7	8.2	-179.5	-69.4	-170.9	-9.5	0	0	114.6	E566 T719 K720	E566-Q722 PolarHBondContact OE1-NE2 3.44Å; T719-Q722 PolarHBondContact O-N 3.05Å; K720-Q722 VanDerWaalsContact C-N 3.32Å; K720-Q722 PolarHBondContact O-N 3.03Å
723	L	38.2	Very low	60	Low	150 Å²	150	118.8 Å²	118.8	79%	0.785	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-96.3	10.8	173.7	-84.3	166.3	0	0	0	113.5
724	T	31.9	Very low	57.6	Low	109 Å²	109	115.7 Å²	115.7	67%	0.669	61%	0.614	S	S	*	*			trans	-139	69.7	179.3	54.9	0	0	0	0	111.5
725	N	30.5	Very low	55	Low	238 Å²	238	111.1 Å²	111.1	100%	1.273	60%	0.604	S	S	*	*			trans	-159.2	0	155.3	-89.1	-33	0	0	0	108.2

Retrieved 725 of 725 residues in 1021.1 ms (Link to these results)

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