A0A077ZC39_TRITR Loading...

RNA binding protein Luc7 2 like

AlphaFold DB , UniProt , Accession A0A077ZC39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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	52.5	Low	78.2	Confident	211 Å²	211	113.5 Å²	113.5	100%	1.039	57%	0.568	S	S	*	*				0	131	0	-67.5	-168.3	178.2	0	0	107.3
2	S	73.5	Confident	78.6	Confident	60 Å²	60	107.9 Å²	107.9	42%	0.42	54%	0.542	S	S	.	.			trans	-71.8	146.7	179.6	-180	0	0	0	0	109.8	Q4 D5 Q6	S2-Q4 PolarHBondContact O-N 3.07Å; S2-Q4 VanDerWaalsContact O-N 3.13Å; S2-D5 PolarHBondContact O-N 3.49Å; S2-Q6 PolarHBondContact O-N 3.49Å
3	A	80.5	Confident	78.5	Confident	65 Å²	65	110.8 Å²	110.8	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-56.1	-29.5	177.1	0	0	0	0	0	112.2	Q6 I7	A3-Q6 PolarHBondContact O-N 3.41Å; A3-I7 WeakPolarHBondContact O-CD1 3.34Å; A3-I7 VanDerWaalsContact O-CG1 3.29Å; A3-I7 WeakPolarHBondContact O-CG1 3.44Å; A3-I7 PolarHBondContact O-N 3.08Å; A3-I7 VanDerWaalsContact O-N 3.11Å
4	Q	83.5	Confident	78.4	Confident	153 Å²	153	113.1 Å²	113.1	72%	0.715	57%	0.566	S	S	*	*	H	α-helix	trans	-65.4	-36.6	176.6	-67.9	-179.9	-26.5	0	0	112.8	S2 R8	S2-Q4 PolarHBondContact O-N 3.07Å; S2-Q4 VanDerWaalsContact O-N 3.13Å; Q4-R8 WeakPolarHBondContact O-CB 3.34Å; Q4-R8 PolarHBondContact O-N 3.14Å
5	D	82.8	Confident	78.2	Confident	99 Å²	99	114.3 Å²	114.3	53%	0.529	57%	0.571	S	S	.	*	H	α-helix	trans	-70.9	-37.9	179.2	-63.6	-36.7	0	0	0	111.5	S2 R8 K9	S2-D5 PolarHBondContact O-N 3.49Å; D5-R8 PolarHBondContact O-N 3.4Å; D5-K9 WeakPolarHBondContact O-CB 3.47Å; D5-K9 PolarHBondContact O-N 3.28Å
6	Q	83.4	Confident	77.5	Confident	126 Å²	126	109.1 Å²	109.1	59%	0.589	56%	0.556	S	S	*	*	H	α-helix	trans	-65.5	-44.1	175.5	-78.6	-179.2	-29.6	0	0	111.6	S2 A3 R8 K9 M10	S2-Q6 PolarHBondContact O-N 3.49Å; A3-Q6 PolarHBondContact O-N 3.41Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-K9 PolarHBondContact O-N 2.96Å; Q6-M10 WeakPolarHBondContact O-CB 3.43Å; Q6-M10 PolarHBondContact O-N 2.99Å
7	I	82.7	Confident	77.1	Confident	90 Å²	90	107.2 Å²	107.2	46%	0.462	55%	0.551	S	S	.	*	H	α-helix	trans	-65	-40.3	177.2	-68	166.7	0	0	0	110.5	A3 M10 L11	A3-I7 WeakPolarHBondContact O-CD1 3.34Å; A3-I7 VanDerWaalsContact O-CG1 3.29Å; A3-I7 WeakPolarHBondContact O-CG1 3.44Å; A3-I7 PolarHBondContact O-N 3.08Å; A3-I7 VanDerWaalsContact O-N 3.11Å; I7-M10 PolarHBondContact O-N 2.98Å; I7-L11 HydrophobicContact CG2-CD1 3.51Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 WeakPolarHBondContact O-CD1 3.35Å; I7-L11 VanDerWaalsContact O-CG 3.22Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.03Å
8	R	80.3	Confident	75.9	Confident	144 Å²	144	105.1 Å²	105.1	54%	0.543	56%	0.56	S	S	.	*	H	α-helix	trans	-59.5	-50.2	175	-171.5	174.5	-174	151.4	5.1	111.2	Q4 D5 Q6 M10 L11 D12	Q4-R8 WeakPolarHBondContact O-CB 3.34Å; Q4-R8 PolarHBondContact O-N 3.14Å; D5-R8 PolarHBondContact O-N 3.4Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; R8-M10 PolarHBondContact O-N 3.32Å; R8-L11 PolarHBondContact O-N 3.32Å; R8-D12 VanDerWaalsContact O-CG 3.3Å; R8-D12 PolarHBondContact O-N 3.29Å
9	K	82.2	Confident	75.3	Confident	140 Å²	140	104.1 Å²	104.1	61%	0.609	55%	0.548	S	S	*	.	H	α-helix	trans	-60.8	-43.8	178.9	-165	178.4	-178.7	-175.9	0	112.7	D5 Q6 L11 D12 E13	D5-K9 WeakPolarHBondContact O-CB 3.47Å; D5-K9 PolarHBondContact O-N 3.28Å; Q6-K9 PolarHBondContact O-N 2.96Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 3.37Å; K9-D12 PolarHBondContact O-N 3.47Å; K9-E13 WeakPolarHBondContact O-CG 3.37Å; K9-E13 PolarHBondContact O-N 2.9Å
10	M	81.1	Confident	74.7	Confident	108 Å²	108	103.6 Å²	103.6	53%	0.532	55%	0.545	S	S	.	.	H	α-helix	trans	-63.3	-38.4	176.7	-173.6	-178.8	74	0	0	111.9	Q6 I7 R8 E13 L14	Q6-M10 WeakPolarHBondContact O-CB 3.43Å; Q6-M10 PolarHBondContact O-N 2.99Å; I7-M10 PolarHBondContact O-N 2.98Å; R8-M10 PolarHBondContact O-N 3.32Å; M10-E13 PolarHBondContact O-N 3.02Å; M10-L14 WeakPolarHBondContact O-CB 3.35Å; M10-L14 PolarHBondContact O-N 3.3Å; M10-L14 VanDerWaalsContact O-N 3.08Å
11	L	78	Confident	73.6	Confident	52 Å²	52	101.8 Å²	101.8	27%	0.272	55%	0.552	S	S	.	*	H	α-helix	trans	-75.3	-32.8	178.6	-71.7	164.5	0	0	0	112.6	I7 R8 K9 E13 L14 M15	I7-L11 HydrophobicContact CG2-CD1 3.51Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 WeakPolarHBondContact O-CD1 3.35Å; I7-L11 VanDerWaalsContact O-CG 3.22Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.03Å; R8-L11 PolarHBondContact O-N 3.32Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 3.37Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-L14 PolarHBondContact O-N 3.45Å; L11-M15 WeakPolarHBondContact O-CB 3.48Å; L11-M15 PolarHBondContact O-N 2.78Å
12	D	82.2	Confident	73.4	Confident	47 Å²	47	100.6 Å²	100.6	25%	0.251	54%	0.544	S	S	.	.	H	α-helix	trans	-64.4	-37.3	171.6	-69.5	-24.8	0	0	0	111	R8 K9 G16 T17	R8-D12 VanDerWaalsContact O-CG 3.3Å; R8-D12 PolarHBondContact O-N 3.29Å; K9-D12 PolarHBondContact O-N 3.47Å; D12-G16 VanDerWaalsContact O-CA 3.23Å; D12-G16 WeakPolarHBondContact O-CA 3.49Å; D12-G16 PolarHBondContact O-N 3.18Å; D12-G16 VanDerWaalsContact O-N 3.07Å; D12-T17 HydrophobicContact CB-CG2 4.03Å
13	E	77.9	Confident	72.2	Confident	145 Å²	145	102.6 Å²	102.6	68%	0.678	56%	0.557	S	S	*	*	H	α-helix	trans	-66.1	-39	172.9	-74.4	172.2	-173.7	0	0	112.6	K9 M10 L11	K9-E13 WeakPolarHBondContact O-CG 3.37Å; K9-E13 PolarHBondContact O-N 2.9Å; M10-E13 PolarHBondContact O-N 3.02Å; L11-E13 VanDerWaalsContact C-N 3.31Å
14	L	77.3	Confident	70.8	Confident	143 Å²	143	109.5 Å²	109.5	75%	0.749	57%	0.569	S	S	*	*	H	α-helix	trans	-84.2	-41	-174.3	-145.4	95.6	0	0	0	113.6	M10 L11	M10-L14 WeakPolarHBondContact O-CB 3.35Å; M10-L14 PolarHBondContact O-N 3.3Å; M10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.45Å
15	M	75	Confident	69	Low	131 Å²	131	113.4 Å²	113.4	65%	0.645	58%	0.578	S	S	*	*	H	α-helix	trans	-114.7	-9.4	-168	-61.5	-99.2	-76.2	0	0	113.3	L11	L11-M15 WeakPolarHBondContact O-CB 3.48Å; L11-M15 PolarHBondContact O-N 2.78Å
16	G	67.5	Low	67.6	Low	31 Å²	31	114.3 Å²	114.3	32%	0.32	58%	0.583	S	S	.	*			trans	82.1	151.2	-173.1	0	0	0	0	0	113	D12 G18 R19	D12-G16 VanDerWaalsContact O-CA 3.23Å; D12-G16 WeakPolarHBondContact O-CA 3.49Å; D12-G16 PolarHBondContact O-N 3.18Å; D12-G16 VanDerWaalsContact O-N 3.07Å; G16-G18 PolarHBondContact O-N 3.4Å; G16-R19 PolarHBondContact O-N 2.95Å
17	T	69.8	Low	66.6	Low	78 Å²	78	113.1 Å²	113.1	48%	0.479	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.7	-9.5	-179.2	50.4	0	0	0	0	114	D12 R19 A66	D12-T17 HydrophobicContact CB-CG2 4.03Å; T17-R19 VanDerWaalsContact C-N 3.35Å; T17-R19 PolarHBondContact O-N 3.12Å; T17-A66 HydrophobicContact CG2-CB 3.62Å
18	G	56.4	Low	66	Low	69 Å²	69	110.2 Å²	110.2	71%	0.711	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	6	178.9	0	0	0	0	0	115.8	G16 D20	G16-G18 PolarHBondContact O-N 3.4Å; G18-D20 PolarHBondContact O-N 3.33Å
19	R	63.4	Low	65.9	Low	86 Å²	86	111.8 Å²	111.8	33%	0.325	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.3	-33.5	-172.4	77.6	179.4	-172.3	-178.3	-3.8	114.6	G16 T17 G21	G16-R19 PolarHBondContact O-N 2.95Å; T17-R19 VanDerWaalsContact C-N 3.35Å; T17-R19 PolarHBondContact O-N 3.12Å; R19-G21 PolarHBondContact O-N 2.88Å
20	D	63.1	Low	65.7	Low	94 Å²	94	108 Å²	108	50%	0.503	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	12.8	-165.3	-71.8	-36.5	0	0	0	113	G18 E22	G18-D20 PolarHBondContact O-N 3.33Å; D20-E22 PolarHBondContact O-N 3.5Å
21	G	53	Low	65.7	Low	66 Å²	66	106.3 Å²	106.3	68%	0.68	56%	0.555	S	S	*	*			trans	63.1	9.8	166	0	0	0	0	0	115.8	R19 S23	R19-G21 PolarHBondContact O-N 2.88Å; G21-S23 VanDerWaalsContact C-N 3.29Å; G21-S23 PolarHBondContact O-N 2.99Å
22	E	47.3	Very low	66	Low	186 Å²	186	105.6 Å²	105.6	87%	0.869	55%	0.551	S	S	*	*			trans	-75.2	82	-177.9	-154.1	153.1	-148.9	0	0	110.2	D20 R24	D20-E22 PolarHBondContact O-N 3.5Å; E22-R24 PolarHBondContact O-N 2.83Å; E22-R24 VanDerWaalsContact O-N 3.09Å
23	S	47.9	Very low	66	Low	101 Å²	101	107.9 Å²	107.9	71%	0.706	57%	0.567	S	S	*	*			trans	20.3	79.2	153.5	-63.6	0	0	0	0	116.8	G21 R25	G21-S23 VanDerWaalsContact C-N 3.29Å; G21-S23 PolarHBondContact O-N 2.99Å; S23-R25 VanDerWaalsContact C-N 3.28Å; S23-R25 PolarHBondContact O-N 3.41Å
24	R	51	Low	66.4	Low	210 Å²	210	106.4 Å²	106.4	79%	0.792	56%	0.555	S	S	*	*			trans	23	52.3	137.1	-157.9	177.7	177.4	163.6	-3.7	117.5	E22	E22-R24 PolarHBondContact O-N 2.83Å; E22-R24 VanDerWaalsContact O-N 3.09Å
25	R	47	Very low	66.9	Low	235 Å²	235	99.6 Å²	99.6	89%	0.887	52%	0.52	S	S	*	.	S	Bend	trans	-106	95.7	159.2	-72.3	-176.4	-178.4	179.9	1.5	105.6	S23	S23-R25 VanDerWaalsContact C-N 3.28Å; S23-R25 PolarHBondContact O-N 3.41Å
26	D	53.7	Low	67.7	Low	119 Å²	119	93.4 Å²	93.4	64%	0.636	49%	0.489	S	S	*	.			trans	70	65.8	-179.2	-55.5	-17.8	0	0	0	115.1	V28	D26-V28 HydrophobicContact CB-CG2 4.17Å; D26-V28 PolarHBondContact O-N 3.28Å
27	T	60.9	Low	68.7	Low	101 Å²	101	94 Å²	94	62%	0.62	48%	0.482	S	S	*	.			trans	-66.3	77.4	153	29.7	0	0	0	0	108.1	R29	T27-R29 PolarHBondContact O-N 2.91Å; T27-R29 VanDerWaalsContact O-N 3.08Å
28	V	71.1	Confident	69.6	Low	29 Å²	29	90.4 Å²	90.4	18%	0.176	46%	0.46	C	S	.	.			trans	-57.5	113.9	172.4	-177.4	0	0	0	0	106.3	D26 D32 V35 I62 L67	D26-V28 HydrophobicContact CB-CG2 4.17Å; D26-V28 PolarHBondContact O-N 3.28Å; V28-D32 HydrophobicContact CG1-CB 3.76Å; V28-V35 HydrophobicContact CG1-CG2 3.51Å; V28-I62 HydrophobicContact CG1-CD1 4.29Å; V28-I62 HydrophobicContact CG2-CD1 4.32Å; V28-L67 HydrophobicContact CG1-CD1 4.27Å; V28-L67 WeakPolarHBondContact O-CD2 3.47Å
29	R	78.3	Confident	71.3	Confident	177 Å²	177	88.1 Å²	88.1	67%	0.668	43%	0.43	S	S	*	.			trans	-77.6	154.5	174.2	-66	-175	177.5	-168.1	-2.1	108.8	T27 T31 D32	T27-R29 PolarHBondContact O-N 2.91Å; T27-R29 VanDerWaalsContact O-N 3.08Å; R29-T31 WeakPolarHBondContact CB-OG1 3.33Å; R29-T31 PolarHBondContact O-N 3.4Å; R29-D32 VanDerWaalsContact O-CB 3.25Å; R29-D32 WeakPolarHBondContact O-CB 3.26Å; R29-D32 PolarHBondContact O-N 3.06Å
30	Y	78.7	Confident	72.5	Confident	59 Å²	59	84.1 Å²	84.1	23%	0.231	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.3	173.3	68.5	-98.8	0	0	0	112.9	D32 D70 Y71 A74 F82	Y30-D32 VanDerWaalsContact C-N 3.34Å; Y30-D70 HydrophobicContact CD1-CB 4.01Å; Y30-Y71 HydrophobicContact CD2-CD2 4.21Å; Y30-Y71 HydrophobicContact CE2-CD2 4.46Å; Y30-A74 HydrophobicContact CE1-CB 4.3Å; Y30-A74 HydrophobicContact CE2-CB 4.34Å; Y30-A74 WeakPolarHBondContact OH-CB 3.34Å; Y30-F82 AromaticContact CD2-CE2 3.79Å; Y30-F82 HydrophobicContact CD2-CE2 3.79Å; Y30-F82 HydrophobicContact CD2-CZ 4.23Å; Y30-F82 HydrophobicContact CE2-CE2 4.03Å; Y30-F82 HydrophobicContact CE2-CZ 4.38Å
31	T	79.5	Confident	73.6	Confident	73 Å²	73	81.3 Å²	81.3	45%	0.448	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.7	175.3	59.8	0	0	0	0	114.3	R29 F82	R29-T31 WeakPolarHBondContact CB-OG1 3.33Å; R29-T31 PolarHBondContact O-N 3.4Å; T31-F82 HydrophobicContact CG2-CZ 4.24Å
32	D	83.9	Confident	75.2	Confident	38 Å²	38	78.9 Å²	78.9	20%	0.203	38%	0.375	C	S	.	.	S	Bend	trans	-68.2	140.8	-179.4	-167.8	-26.6	0	0	0	110.4	V28 R29 Y30 R34 V35	V28-D32 HydrophobicContact CG1-CB 3.76Å; R29-D32 VanDerWaalsContact O-CB 3.25Å; R29-D32 WeakPolarHBondContact O-CB 3.26Å; R29-D32 PolarHBondContact O-N 3.06Å; Y30-D32 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 3.06Å; D32-R34 PolarHBondContact OD1-N 3.11Å; D32-R34 VanDerWaalsContact OD1-N 3.07Å; D32-R34 IonicContact OD1-NE 3.52Å; D32-R34 IonicContact OD2-CZ 3.28Å; D32-R34 VanDerWaalsContact OD2-CZ 3.28Å; D32-R34 IonicContact OD2-NE 2.94Å; D32-R34 PolarHBondContact OD2-NE 3.45Å; D32-R34 IonicContact OD2-NH2 2.75Å; D32-R34 PolarHBondContact OD2-NH2 3.24Å; D32-V35 HydrophobicContact CB-CG2 4.22Å; D32-V35 PolarHBondContact O-N 3Å; D32-V35 VanDerWaalsContact O-N 3.13Å
33	T	83.4	Confident	77.2	Confident	95 Å²	95	70.1 Å²	70.1	58%	0.583	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.8	179.1	61.3	0	0	0	0	112.8	V35	T33-V35 VanDerWaalsContact C-N 3.28Å; T33-V35 PolarHBondContact O-N 3.34Å
34	R	86.9	Confident	79.3	Confident	113 Å²	113	65.3 Å²	65.3	43%	0.426	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.6	174.6	-64.3	-177.8	-68.6	175.5	-2.5	113.3	D32 K61 I62	D32-R34 PolarHBondContact O-N 3.06Å; D32-R34 PolarHBondContact OD1-N 3.11Å; D32-R34 VanDerWaalsContact OD1-N 3.07Å; D32-R34 IonicContact OD1-NE 3.52Å; D32-R34 IonicContact OD2-CZ 3.28Å; D32-R34 VanDerWaalsContact OD2-CZ 3.28Å; D32-R34 IonicContact OD2-NE 2.94Å; D32-R34 PolarHBondContact OD2-NE 3.45Å; D32-R34 IonicContact OD2-NH2 2.75Å; D32-R34 PolarHBondContact OD2-NH2 3.24Å; R34-K61 WeakPolarHBondContact O-CB 3.37Å; R34-I62 HydrophobicContact CB-CD1 3.99Å; R34-I62 PolarHBondContact O-N 2.92Å
35	V	87.6	Confident	81.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-80.8	137.8	-179.1	-177.4	0	0	0	0	110	V28 D32 T33 R37 L40 L67	V28-V35 HydrophobicContact CG1-CG2 3.51Å; D32-V35 HydrophobicContact CB-CG2 4.22Å; D32-V35 PolarHBondContact O-N 3Å; D32-V35 VanDerWaalsContact O-N 3.13Å; T33-V35 VanDerWaalsContact C-N 3.28Å; T33-V35 PolarHBondContact O-N 3.34Å; V35-R37 PolarHBondContact O-N 3.45Å; V35-R37 VanDerWaalsContact O-N 3.08Å; V35-L40 HydrophobicContact CG1-CD1 3.94Å; V35-L40 HydrophobicContact CG1-CD2 3.92Å; V35-L40 HydrophobicContact CG1-CG 3.97Å; V35-L67 HydrophobicContact CG1-CD1 4.12Å; V35-L67 HydrophobicContact CG2-CD1 3.6Å
36	C	90.4	Very high	83.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.			trans	-74.1	103.2	179.5	-169.1	0	0	0	0	111.4	T38 F39 L40 K61 I62 H63	C36-T38 VanDerWaalsContact C-N 3.28Å; C36-T38 PolarHBondContact O-N 2.88Å; C36-T38 PolarHBondContact SG-OG1 3.45Å; C36-F39 HydrophobicContact CB-CB 3.68Å; C36-F39 WeakPolarHBondContact O-CA 3.27Å; C36-F39 WeakPolarHBondContact O-CB 3.46Å; C36-F39 PolarHBondContact O-N 3Å; C36-L40 PolarHBondContact O-N 3.44Å; C36-K61 HydrophobicContact CB-CB 3.55Å; C36-K61 HydrophobicContact CB-CD 4.21Å; C36-I62 PolarHBondContact N-O 3.05Å; C36-H63 WeakPolarHBondContact CB-CD2 3.32Å; C36-H63 VanDerWaalsContact CB-NE2 3.34Å; C36-H63 WeakPolarHBondContact CB-NE2 3.3Å; C36-H63 PolarHBondContact SG-NE2 3.38Å
37	R	89.3	Confident	85.3	Confident	45 Å²	45	44.4 Å²	44.4	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-37.1	179.5	-62.9	167.9	-164.6	163.9	-2.5	112.8	V35 F39 L40 L41 F82 D85	V35-R37 PolarHBondContact O-N 3.45Å; V35-R37 VanDerWaalsContact O-N 3.08Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 2.9Å; R37-L40 PolarHBondContact O-N 3.44Å; R37-L41 PolarHBondContact O-N 3.32Å; R37-F82 HydrophobicContact CB-CB 4.26Å; R37-F82 HydrophobicContact CG-CB 4.33Å; R37-F82 HydrophobicContact CG-CD1 4.22Å; R37-F82 HydrophobicContact CG-CG 4.34Å; R37-D85 HydrophobicContact CB-CB 4.37Å; R37-D85 WeakPolarHBondContact CD-OD2 3.35Å; R37-D85 HydrophobicContact CG-CB 4.42Å; R37-D85 IonicContact CZ-OD1 3.96Å; R37-D85 IonicContact CZ-OD2 3.21Å; R37-D85 IonicContact NE-OD2 3.38Å; R37-D85 PolarHBondContact NE-OD2 3.47Å; R37-D85 IonicContact NH1-OD1 2.82Å; R37-D85 PolarHBondContact NH1-OD1 2.79Å; R37-D85 IonicContact NH1-OD2 2.72Å; R37-D85 PolarHBondContact NH1-OD2 3Å
38	T	89.8	Confident	86.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-28.6	173	46.9	0	0	0	0	113.4	C36 G42 C43 C44 A86 H89 L90	C36-T38 VanDerWaalsContact C-N 3.28Å; C36-T38 PolarHBondContact O-N 2.88Å; C36-T38 PolarHBondContact SG-OG1 3.45Å; T38-G42 PolarHBondContact O-N 3.17Å; T38-C43 CarbonylContact O-C 3.56Å; T38-C43 PolarHBondContact O-N 3.27Å; T38-C43 PolarHBondContact O-SG 3.13Å; T38-C44 PolarHBondContact O-N 3.49Å; T38-A86 HydrophobicContact CG2-CB 3.84Å; T38-A86 WeakPolarHBondContact CG2-O 3.26Å; T38-H89 HydrophobicContact CG2-CB 3.72Å; T38-H89 VanDerWaalsContact CG2-ND1 3.27Å; T38-H89 WeakPolarHBondContact CG2-ND1 3.46Å; T38-H89 PolarHBondContact OG1-CE1 2.89Å; T38-H89 PolarHBondContact OG1-ND1 3.35Å; T38-L90 HydrophobicContact CG2-CG 4.31Å
39	F	90.8	Very high	87.8	Confident	20 Å²	20	39.5 Å²	39.5	9%	0.088	19%	0.191	C	C	.	.	H	α-helix	trans	-73.5	-37.8	174.5	177.8	-100.5	0	0	0	111.7	C36 R37 L41 G42 C44 H63 K68	C36-F39 HydrophobicContact CB-CB 3.68Å; C36-F39 WeakPolarHBondContact O-CA 3.27Å; C36-F39 WeakPolarHBondContact O-CB 3.46Å; C36-F39 PolarHBondContact O-N 3Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 2.9Å; F39-L41 PolarHBondContact O-N 2.84Å; F39-G42 WeakPolarHBondContact O-CA 3.43Å; F39-G42 PolarHBondContact O-N 2.95Å; F39-C44 HydrophobicContact CB-CB 4Å; F39-H63 HydrophobicContact CD1-CB 4.01Å; F39-H63 HydrophobicContact CD2-CB 4.05Å; F39-H63 AromaticContact CD2-CE1 3.74Å; F39-H63 AromaticContact CD2-CG 3.57Å; F39-H63 AromaticContact CD2-ND1 3.38Å; F39-H63 WeakPolarHBondContact CD2-ND1 3.45Å; F39-H63 HydrophobicContact CE1-CB 4.02Å; F39-H63 HydrophobicContact CE2-CB 4.05Å; F39-H63 AromaticContact CE2-ND1 3.85Å; F39-H63 HydrophobicContact CG-CB 4.02Å; F39-H63 AromaticContact CG-CD2 3.69Å; F39-H63 AromaticContact CG-CG 3.59Å; F39-H63 AromaticContact CG-ND1 3.85Å; F39-H63 AromaticContact CG-NE2 3.98Å; F39-H63 HydrophobicContact CZ-CB 4.03Å; F39-K68 HydrophobicContact CE1-CB 4.33Å
40	L	88	Confident	88.4	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-37.8	173.4	-62.9	179.4	0	0	0	111.4	V35 C36 R37 G42 L67 K68 Y71 F82	V35-L40 HydrophobicContact CG1-CD1 3.94Å; V35-L40 HydrophobicContact CG1-CD2 3.92Å; V35-L40 HydrophobicContact CG1-CG 3.97Å; C36-L40 PolarHBondContact O-N 3.44Å; R37-L40 PolarHBondContact O-N 3.44Å; L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 2.9Å; L40-L67 HydrophobicContact CD2-CB 4.18Å; L40-K68 HydrophobicContact CD2-CB 4.24Å; L40-Y71 HydrophobicContact CB-CD1 3.69Å; L40-Y71 HydrophobicContact CB-CE1 4.18Å; L40-Y71 HydrophobicContact CB-CG 4.04Å; L40-Y71 HydrophobicContact CD1-CG 4.24Å; L40-F82 HydrophobicContact CD1-CD2 4.38Å
41	L	86.9	Confident	88.9	Confident	35 Å²	35	36 Å²	36	18%	0.183	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.4	173.2	-68.8	163.6	0	0	0	114.2	R37 F39 C43 Y71 A86 R224 L228	R37-L41 PolarHBondContact O-N 3.32Å; F39-L41 PolarHBondContact O-N 2.84Å; L41-C43 VanDerWaalsContact C-N 3.34Å; L41-C43 PolarHBondContact O-N 3.42Å; L41-Y71 HydrophobicContact CD2-CE1 3.94Å; L41-Y71 HydrophobicContact CG-CE1 4.32Å; L41-A86 HydrophobicContact CD1-CB 3.23Å; L41-R224 PolarHBondContact O-NH1 3.48Å; L41-L228 HydrophobicContact CD1-CD1 4.45Å; L41-L228 HydrophobicContact CD1-CD2 4.07Å
42	G	86.5	Confident	89.4	Confident	16 Å²	16	33.5 Å²	33.5	17%	0.165	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	26	179.9	0	0	0	0	0	114.4	T38 F39 L40 Y220	T38-G42 PolarHBondContact O-N 3.17Å; F39-G42 WeakPolarHBondContact O-CA 3.43Å; F39-G42 PolarHBondContact O-N 2.95Å; L40-G42 VanDerWaalsContact C-N 3.27Å; L40-G42 PolarHBondContact O-N 2.9Å; G42-Y220 VanDerWaalsContact O-CE1 3.32Å; G42-Y220 WeakPolarHBondContact O-CE1 3.38Å; G42-Y220 PolarHBondContact O-OH 3.26Å
43	C	89.2	Confident	89.4	Confident	1 Å²	1	43 Å²	43	1%	0.007	21%	0.21	C	C	.	.			trans	-129.3	29.6	-178.3	66.1	0	0	0	0	112.4	T38 L41 P45 L221 R224	T38-C43 CarbonylContact O-C 3.56Å; T38-C43 PolarHBondContact O-N 3.27Å; T38-C43 PolarHBondContact O-SG 3.13Å; L41-C43 VanDerWaalsContact C-N 3.34Å; L41-C43 PolarHBondContact O-N 3.42Å; C43-P45 VanDerWaalsContact O-CD 3.31Å; C43-P45 WeakPolarHBondContact O-CD 3.4Å; C43-L221 HydrophobicContact CB-CD2 4.25Å; C43-L221 WeakPolarHBondContact O-CD2 3.44Å; C43-R224 HydrophobicContact CB-CB 3.95Å; C43-R224 HydrophobicContact CB-CG 4.09Å
44	C	92.7	Very high	89.5	Confident	1 Å²	1	42 Å²	42	1%	0.007	20%	0.199	C	C	.	.			trans	-70.2	121.7	177.4	-170.8	0	0	0	0	110.6	T38 F39 F46 D47 V48 H63	T38-C44 PolarHBondContact O-N 3.49Å; F39-C44 HydrophobicContact CB-CB 4Å; C44-F46 VanDerWaalsContact C-N 3.26Å; C44-F46 PolarHBondContact O-N 3.16Å; C44-D47 HydrophobicContact CB-CB 4.24Å; C44-D47 PolarHBondContact O-N 3.24Å; C44-D47 VanDerWaalsContact O-N 3.12Å; C44-V48 WeakPolarHBondContact O-CG2 3.4Å; C44-V48 PolarHBondContact O-N 2.98Å; C44-H63 PolarHBondContact SG-CE1 3.08Å; C44-H63 PolarHBondContact SG-NE2 3.38Å
45	P	92.2	Very high	89.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-36.9	-179.5	-27.8	36.6	0	0	0	113.9	C43 D47 L49 M56 L90 F93 L221	C43-P45 VanDerWaalsContact O-CD 3.31Å; C43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-D47 VanDerWaalsContact C-N 3.35Å; P45-D47 PolarHBondContact O-N 2.91Å; P45-L49 VanDerWaalsContact O-CB 3.24Å; P45-L49 WeakPolarHBondContact O-CB 3.49Å; P45-L49 WeakPolarHBondContact O-CG 3.1Å; P45-L49 PolarHBondContact O-N 3.44Å; P45-M56 HydrophobicContact CB-CE 3.75Å; P45-L90 HydrophobicContact CG-CD2 3.82Å; P45-F93 HydrophobicContact CB-CD1 4.15Å; P45-F93 HydrophobicContact CB-CD2 3.81Å; P45-F93 HydrophobicContact CB-CE1 4.17Å; P45-F93 HydrophobicContact CB-CE2 3.85Å; P45-F93 HydrophobicContact CB-CG 3.98Å; P45-F93 HydrophobicContact CB-CZ 4.04Å; P45-F93 HydrophobicContact CG-CB 4.23Å; P45-F93 HydrophobicContact CG-CD1 3.94Å; P45-F93 HydrophobicContact CG-CD2 4.1Å; P45-F93 HydrophobicContact CG-CE1 4.39Å; P45-F93 HydrophobicContact CG-CG 3.78Å; P45-L221 HydrophobicContact CB-CD1 4.24Å
46	F	92.4	Very high	89.5	Confident	38 Å²	38	43.7 Å²	43.7	17%	0.167	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-38.3	178.3	-65.9	-88.8	0	0	0	112.9	C44 A50 M56 G57 C59 H89	C44-F46 VanDerWaalsContact C-N 3.26Å; C44-F46 PolarHBondContact O-N 3.16Å; F46-A50 WeakPolarHBondContact O-CB 3.18Å; F46-A50 PolarHBondContact O-N 2.9Å; F46-M56 HydrophobicContact CD1-CB 3.63Å; F46-M56 HydrophobicContact CE1-CB 3.57Å; F46-G57 WeakPolarHBondContact CD1-O 3.38Å; F46-C59 HydrophobicContact CB-CB 3.92Å; F46-C59 HydrophobicContact CD2-CB 4.1Å; F46-C59 HydrophobicContact CG-CB 4Å; F46-H89 AromaticContact CE2-NE2 3.87Å
47	D	91.8	Very high	89.4	Confident	87 Å²	87	45.5 Å²	45.5	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-82	-44	-178.2	-169	49.8	0	0	0	111.2	C44 P45 L49 A50	C44-D47 HydrophobicContact CB-CB 4.24Å; C44-D47 PolarHBondContact O-N 3.24Å; C44-D47 VanDerWaalsContact O-N 3.12Å; P45-D47 VanDerWaalsContact C-N 3.35Å; P45-D47 PolarHBondContact O-N 2.91Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.32Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.34Å; D47-A50 PolarHBondContact O-N 3.26Å
48	V	92.3	Very high	89.4	Confident	27 Å²	27	51.3 Å²	51.3	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-39.9	179.9	175.1	0	0	0	0	111.6	C44 Y220 L221	C44-V48 WeakPolarHBondContact O-CG2 3.4Å; C44-V48 PolarHBondContact O-N 2.98Å; V48-Y220 HydrophobicContact CG1-CD1 4.24Å; V48-Y220 HydrophobicContact CG2-CD1 4.15Å; V48-Y220 HydrophobicContact CG2-CE1 4.07Å; V48-L221 HydrophobicContact CB-CD1 4.24Å; V48-L221 HydrophobicContact CB-CD2 4.16Å; V48-L221 HydrophobicContact CB-CG 4.25Å; V48-L221 HydrophobicContact CG1-CD1 4.1Å; V48-L221 HydrophobicContact CG1-CD2 4.36Å; V48-L221 HydrophobicContact CG1-CG 3.97Å; V48-L221 HydrophobicContact CG2-CD2 3.93Å; V48-L221 HydrophobicContact CG2-CG 4.45Å
49	L	92.3	Very high	89.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	5.6	-179.3	-56.6	177.5	0	0	0	113.4	P45 D47 T52 M56 F93 L214 Y218 L221	P45-L49 VanDerWaalsContact O-CB 3.24Å; P45-L49 WeakPolarHBondContact O-CB 3.49Å; P45-L49 WeakPolarHBondContact O-CG 3.1Å; P45-L49 PolarHBondContact O-N 3.44Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.32Å; L49-T52 WeakPolarHBondContact O-CB 3.37Å; L49-T52 WeakPolarHBondContact O-CG2 3.16Å; L49-T52 PolarHBondContact O-N 2.93Å; L49-T52 VanDerWaalsContact O-N 3.16Å; L49-T52 PolarHBondContact O-OG1 2.73Å; L49-M56 HydrophobicContact CD1-CE 4.1Å; L49-F93 HydrophobicContact CD1-CE1 4.43Å; L49-F93 HydrophobicContact CD1-CE2 4.24Å; L49-F93 HydrophobicContact CD1-CZ 3.57Å; L49-L214 HydrophobicContact CD2-CD1 4.37Å; L49-Y218 HydrophobicContact CD1-CD2 4.46Å; L49-Y218 HydrophobicContact CD1-CE2 3.88Å; L49-Y218 HydrophobicContact CD2-CD2 3.91Å; L49-Y218 HydrophobicContact CD2-CE2 4Å; L49-L221 HydrophobicContact CD1-CD1 4.19Å; L49-L221 HydrophobicContact CD2-CD1 4.4Å; L49-L221 HydrophobicContact CG-CD1 4.1Å
50	A	91.4	Very high	89.3	Confident	22 Å²	22	56.8 Å²	56.8	18%	0.182	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140.4	175	0	0	0	0	0	110.9	F46 D47 T52 K213	F46-A50 WeakPolarHBondContact O-CB 3.18Å; F46-A50 PolarHBondContact O-N 2.9Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.34Å; D47-A50 PolarHBondContact O-N 3.26Å; A50-T52 PolarHBondContact O-N 3.43Å; A50-K213 VanDerWaalsContact O-CE 3.24Å; A50-K213 WeakPolarHBondContact O-CE 3.22Å; A50-K213 PolarHBondContact O-NZ 3.3Å
51	N	89.7	Confident	89.4	Confident	139 Å²	139	60.3 Å²	60.3	74%	0.743	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	28.1	-176.1	-51.9	-71.8	0	0	0	114	D55	N51-D55 PolarHBondContact N-OD2 3.17Å
52	T	89.8	Confident	89.5	Confident	21 Å²	21	61.8 Å²	61.8	13%	0.129	33%	0.328	C	S	.	.	S	Bend	trans	-110.8	174	170.2	74.6	0	0	0	0	110.5	L49 A50 M54 D55 K213 L214	L49-T52 WeakPolarHBondContact O-CB 3.37Å; L49-T52 WeakPolarHBondContact O-CG2 3.16Å; L49-T52 PolarHBondContact O-N 2.93Å; L49-T52 VanDerWaalsContact O-N 3.16Å; L49-T52 PolarHBondContact O-OG1 2.73Å; A50-T52 PolarHBondContact O-N 3.43Å; T52-M54 PolarHBondContact O-N 3.02Å; T52-M54 VanDerWaalsContact O-N 3.16Å; T52-M54 PolarHBondContact OG1-N 2.84Å; T52-D55 WeakPolarHBondContact O-CB 3.37Å; T52-D55 PolarHBondContact O-N 2.92Å; T52-D55 VanDerWaalsContact O-N 3.14Å; T52-K213 HydrophobicContact CG2-CB 4.28Å; T52-K213 HydrophobicContact CG2-CD 3.93Å; T52-K213 HydrophobicContact CG2-CG 3.81Å; T52-L214 HydrophobicContact CG2-CD1 4.47Å; T52-L214 WeakPolarHBondContact OG1-CD1 3.4Å
53	R	85.1	Confident	89.6	Confident	237 Å²	237	63.7 Å²	63.7	89%	0.894	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.1	174.5	-67.1	-173	-178.4	177.6	0.6	113.7
54	M	84.8	Confident	89.6	Confident	74 Å²	74	66.2 Å²	66.2	37%	0.365	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	29.1	177.5	-64.6	-64.5	-68.1	0	0	111.1	T52 M56 L214 Y218	T52-M54 PolarHBondContact O-N 3.02Å; T52-M54 VanDerWaalsContact O-N 3.16Å; T52-M54 PolarHBondContact OG1-N 2.84Å; M54-M56 PolarHBondContact O-N 2.78Å; M54-L214 HydrophobicContact CB-CD1 3.76Å; M54-L214 HydrophobicContact CG-CD1 3.7Å; M54-Y218 HydrophobicContact CB-CE2 4.47Å; M54-Y218 HydrophobicContact CG-CE2 4.36Å
55	D	87.6	Confident	89.3	Confident	70 Å²	70	70.6 Å²	70.6	37%	0.374	37%	0.374	S	S	.	.			trans	-61.1	123.6	175.3	-163.4	-20.9	0	0	0	110.1	N51 T52 G57	N51-D55 PolarHBondContact N-OD2 3.17Å; T52-D55 WeakPolarHBondContact O-CB 3.37Å; T52-D55 PolarHBondContact O-N 2.92Å; T52-D55 VanDerWaalsContact O-N 3.14Å; D55-G57 WeakPolarHBondContact OD1-CA 3.38Å; D55-G57 PolarHBondContact OD1-N 3.22Å
56	M	86.6	Confident	89.1	Confident	81 Å²	81	71.3 Å²	71.3	40%	0.399	38%	0.38	S	S	.	.			trans	-97.9	5.4	179.5	-66.2	172.7	-73.5	0	0	112	P45 F46 L49 M54 F93	P45-M56 HydrophobicContact CB-CE 3.75Å; F46-M56 HydrophobicContact CD1-CB 3.63Å; F46-M56 HydrophobicContact CE1-CB 3.57Å; L49-M56 HydrophobicContact CD1-CE 4.1Å; M54-M56 PolarHBondContact O-N 2.78Å; M56-F93 HydrophobicContact CE-CD2 4.13Å; M56-F93 HydrophobicContact CE-CE2 3.49Å; M56-F93 VanDerWaalsContact CE-CE2 3.49Å; M56-F93 HydrophobicContact CE-CZ 4.28Å; M56-F93 HydrophobicContact SD-CD2 4.16Å; M56-F93 HydrophobicContact SD-CE2 3.71Å
57	G	89.5	Confident	88.8	Confident	38 Å²	38	70.1 Å²	70.1	39%	0.392	38%	0.376	S	S	.	.			trans	81.1	-160.5	-175.1	0	0	0	0	0	112.7	F46 D55	F46-G57 WeakPolarHBondContact CD1-O 3.38Å; D55-G57 WeakPolarHBondContact OD1-CA 3.38Å; D55-G57 PolarHBondContact OD1-N 3.22Å
58	L	88.6	Confident	88.5	Confident	167 Å²	167	68.9 Å²	68.9	87%	0.874	37%	0.366	S	S	*	.	S	Bend	trans	-71.6	142.7	-179.6	-61.8	174.4	0	0	0	110.9
59	C	89.6	Confident	88.2	Confident	22 Å²	22	69.5 Å²	69.5	15%	0.149	37%	0.374	C	S	.	.			trans	-62.7	137.7	175.3	-168.2	0	0	0	0	110.2	F46 K61 H63	F46-C59 HydrophobicContact CB-CB 3.92Å; F46-C59 HydrophobicContact CD2-CB 4.1Å; F46-C59 HydrophobicContact CG-CB 4Å; C59-K61 PolarHBondContact O-N 3.42Å; C59-K61 VanDerWaalsContact O-N 3.15Å; C59-H63 VanDerWaalsContact CB-CE1 3.4Å; C59-H63 WeakPolarHBondContact CB-CE1 3.46Å; C59-H63 WeakPolarHBondContact CB-NE2 3.41Å; C59-H63 PolarHBondContact SG-NE2 3.16Å
60	P	88.7	Confident	87.9	Confident	115 Å²	115	73.1 Å²	73.1	75%	0.747	39%	0.393	S	S	*	.	S	Bend	trans	-67	-10.7	174.3	27.3	-36.6	0	0	0	113.6
61	K	90.3	Very high	87.7	Confident	76 Å²	76	72.6 Å²	72.6	33%	0.33	39%	0.387	S	S	.	.	S	Bend	trans	-106.6	157.9	179.7	-67.7	-172.2	-179	-170.7	0	110.8	R34 C36 C59 H63	R34-K61 WeakPolarHBondContact O-CB 3.37Å; C36-K61 HydrophobicContact CB-CB 3.55Å; C36-K61 HydrophobicContact CB-CD 4.21Å; C59-K61 PolarHBondContact O-N 3.42Å; C59-K61 VanDerWaalsContact O-N 3.15Å; K61-H63 PolarHBondContact O-N 3.5Å
62	I	89	Confident	87.5	Confident	66 Å²	66	70.8 Å²	70.8	34%	0.338	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-69.5	125.5	-178.4	-58.8	172.3	0	0	0	109.8	V28 R34 C36 D64	V28-I62 HydrophobicContact CG1-CD1 4.29Å; V28-I62 HydrophobicContact CG2-CD1 4.32Å; R34-I62 HydrophobicContact CB-CD1 3.99Å; R34-I62 PolarHBondContact O-N 2.92Å; C36-I62 PolarHBondContact N-O 3.05Å; I62-D64 HydrophobicContact CG2-CB 4.36Å
63	H	88.6	Confident	87.2	Confident	56 Å²	56	76.2 Å²	76.2	26%	0.259	40%	0.396	S	S	.	.			trans	-110.2	99.9	170.1	-73.6	-166.3	0	0	0	108.3	C36 F39 C44 C59 K61	C36-H63 WeakPolarHBondContact CB-CD2 3.32Å; C36-H63 VanDerWaalsContact CB-NE2 3.34Å; C36-H63 WeakPolarHBondContact CB-NE2 3.3Å; C36-H63 PolarHBondContact SG-NE2 3.38Å; F39-H63 HydrophobicContact CD1-CB 4.01Å; F39-H63 HydrophobicContact CD2-CB 4.05Å; F39-H63 AromaticContact CD2-CE1 3.74Å; F39-H63 AromaticContact CD2-CG 3.57Å; F39-H63 AromaticContact CD2-ND1 3.38Å; F39-H63 WeakPolarHBondContact CD2-ND1 3.45Å; F39-H63 HydrophobicContact CE1-CB 4.02Å; F39-H63 HydrophobicContact CE2-CB 4.05Å; F39-H63 AromaticContact CE2-ND1 3.85Å; F39-H63 HydrophobicContact CG-CB 4.02Å; F39-H63 AromaticContact CG-CD2 3.69Å; F39-H63 AromaticContact CG-CG 3.59Å; F39-H63 AromaticContact CG-ND1 3.85Å; F39-H63 AromaticContact CG-NE2 3.98Å; F39-H63 HydrophobicContact CZ-CB 4.03Å; C44-H63 PolarHBondContact SG-CE1 3.08Å; C44-H63 PolarHBondContact SG-NE2 3.38Å; C59-H63 VanDerWaalsContact CB-CE1 3.4Å; C59-H63 WeakPolarHBondContact CB-CE1 3.46Å; C59-H63 WeakPolarHBondContact CB-NE2 3.41Å; C59-H63 PolarHBondContact SG-NE2 3.16Å; K61-H63 PolarHBondContact O-N 3.5Å
64	D	87.9	Confident	87.1	Confident	54 Å²	54	65.4 Å²	65.4	29%	0.289	36%	0.357	S	S	.	.			trans	-120.9	119	173.6	-176.4	-5.7	0	0	0	109.3	I62 A66 L67 K68	I62-D64 HydrophobicContact CG2-CB 4.36Å; D64-A66 PolarHBondContact O-N 2.82Å; D64-A66 WeakPolarHBondContact OD1-CB 3.25Å; D64-A66 PolarHBondContact OD1-N 3.42Å; D64-L67 HydrophobicContact CB-CB 4.33Å; D64-L67 HydrophobicContact CB-CD1 3.91Å; D64-L67 HydrophobicContact CB-CG 3.87Å; D64-L67 PolarHBondContact O-N 2.97Å; D64-K68 PolarHBondContact O-N 3.13Å
65	P	87.2	Confident	86.9	Confident	92 Å²	92	63.9 Å²	63.9	60%	0.597	36%	0.356	S	S	*	.	H	α-helix	trans	-54.7	-31	174.4	-25.7	35.1	0	0	0	114.1	K68 A69	P65-K68 WeakPolarHBondContact O-CB 3.47Å; P65-K68 PolarHBondContact O-N 3.4Å; P65-A69 PolarHBondContact O-N 3.36Å; P65-A69 VanDerWaalsContact O-N 3.08Å
66	A	87.2	Confident	86.4	Confident	16 Å²	16	69.2 Å²	69.2	13%	0.132	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-44	177.9	0	0	0	0	0	111.5	T17 D64 K68 A69 D70	T17-A66 HydrophobicContact CG2-CB 3.62Å; D64-A66 PolarHBondContact O-N 2.82Å; D64-A66 WeakPolarHBondContact OD1-CB 3.25Å; D64-A66 PolarHBondContact OD1-N 3.42Å; A66-K68 VanDerWaalsContact C-N 3.27Å; A66-K68 PolarHBondContact O-N 3.38Å; A66-A69 PolarHBondContact O-N 3.03Å; A66-D70 PolarHBondContact O-N 3Å; A66-D70 VanDerWaalsContact O-N 3.07Å
67	L	86.8	Confident	85.8	Confident	12 Å²	12	70.5 Å²	70.5	6%	0.063	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-31.7	177.2	-59.2	-179.7	0	0	0	112.3	V28 V35 L40 D64 Y71	V28-L67 HydrophobicContact CG1-CD1 4.27Å; V28-L67 WeakPolarHBondContact O-CD2 3.47Å; V35-L67 HydrophobicContact CG1-CD1 4.12Å; V35-L67 HydrophobicContact CG2-CD1 3.6Å; L40-L67 HydrophobicContact CD2-CB 4.18Å; D64-L67 HydrophobicContact CB-CB 4.33Å; D64-L67 HydrophobicContact CB-CD1 3.91Å; D64-L67 HydrophobicContact CB-CG 3.87Å; D64-L67 PolarHBondContact O-N 2.97Å; L67-Y71 WeakPolarHBondContact O-CB 3.44Å; L67-Y71 PolarHBondContact O-N 3.45Å
68	K	86.1	Confident	84.6	Confident	61 Å²	61	71.7 Å²	71.7	27%	0.265	40%	0.396	S	S	.	.	H	α-helix	trans	-65.1	-46.3	173	-177	178.9	176.8	-169.4	0	111.5	F39 L40 D64 P65 A66 D70 Y71 E72	F39-K68 HydrophobicContact CE1-CB 4.33Å; L40-K68 HydrophobicContact CD2-CB 4.24Å; D64-K68 PolarHBondContact O-N 3.13Å; P65-K68 WeakPolarHBondContact O-CB 3.47Å; P65-K68 PolarHBondContact O-N 3.4Å; A66-K68 VanDerWaalsContact C-N 3.27Å; A66-K68 PolarHBondContact O-N 3.38Å; K68-D70 VanDerWaalsContact C-N 3.31Å; K68-D70 PolarHBondContact O-N 2.82Å; K68-Y71 PolarHBondContact O-N 3.15Å; K68-E72 WeakPolarHBondContact CE-OE1 3.43Å; K68-E72 WeakPolarHBondContact O-CG 3.49Å; K68-E72 PolarHBondContact O-N 2.95Å
69	A	85.8	Confident	83.1	Confident	40 Å²	40	71.3 Å²	71.3	33%	0.331	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-38.4	177.7	0	0	0	0	0	112.3	P65 A66 K73	P65-A69 PolarHBondContact O-N 3.36Å; P65-A69 VanDerWaalsContact O-N 3.08Å; A66-A69 PolarHBondContact O-N 3.03Å; A69-K73 WeakPolarHBondContact O-CG 3.41Å; A69-K73 PolarHBondContact O-N 3.38Å
70	D	86.3	Confident	81.9	Confident	76 Å²	76	70.9 Å²	70.9	41%	0.406	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-40.6	175	-72.5	-18.3	0	0	0	112.2	Y30 A66 K68 K73 A74	Y30-D70 HydrophobicContact CD1-CB 4.01Å; A66-D70 PolarHBondContact O-N 3Å; A66-D70 VanDerWaalsContact O-N 3.07Å; K68-D70 VanDerWaalsContact C-N 3.31Å; K68-D70 PolarHBondContact O-N 2.82Å; D70-K73 PolarHBondContact O-N 3.15Å; D70-A74 WeakPolarHBondContact O-CB 3.47Å; D70-A74 PolarHBondContact O-N 2.84Å
71	Y	85.6	Confident	81.1	Confident	12 Å²	12	71.5 Å²	71.5	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-44.6	174.4	173.3	-109.2	0	0	0	112.1	Y30 L40 L41 L67 K68 K73 A74 A75 A80 F82	Y30-Y71 HydrophobicContact CD2-CD2 4.21Å; Y30-Y71 HydrophobicContact CE2-CD2 4.46Å; L40-Y71 HydrophobicContact CB-CD1 3.69Å; L40-Y71 HydrophobicContact CB-CE1 4.18Å; L40-Y71 HydrophobicContact CB-CG 4.04Å; L40-Y71 HydrophobicContact CD1-CG 4.24Å; L41-Y71 HydrophobicContact CD2-CE1 3.94Å; L41-Y71 HydrophobicContact CG-CE1 4.32Å; L67-Y71 WeakPolarHBondContact O-CB 3.44Å; L67-Y71 PolarHBondContact O-N 3.45Å; K68-Y71 PolarHBondContact O-N 3.15Å; Y71-K73 PolarHBondContact O-N 3.29Å; Y71-A74 CarbonylContact O-C 3.54Å; Y71-A74 PolarHBondContact O-N 3.42Å; Y71-A74 VanDerWaalsContact O-N 3.1Å; Y71-A75 HydrophobicContact CE1-CB 4.42Å; Y71-A75 HydrophobicContact CE2-CB 4.28Å; Y71-A75 VanDerWaalsContact O-CB 3.27Å; Y71-A75 WeakPolarHBondContact O-CB 3.34Å; Y71-A75 PolarHBondContact O-N 3.18Å; Y71-A80 HydrophobicContact CD2-CB 4.11Å; Y71-A80 HydrophobicContact CE2-CB 3.6Å; Y71-F82 AromaticContact CD2-CD2 3.69Å; Y71-F82 HydrophobicContact CD2-CD2 3.69Å; Y71-F82 AromaticContact CD2-CE2 3.78Å; Y71-F82 HydrophobicContact CD2-CE2 3.78Å; Y71-F82 AromaticContact CE2-CD2 3.29Å; Y71-F82 HydrophobicContact CE2-CD2 3.29Å; Y71-F82 AromaticContact CE2-CE2 3.77Å; Y71-F82 HydrophobicContact CE2-CE2 3.77Å; Y71-F82 HydrophobicContact CE2-CG 4.41Å
72	E	85.9	Confident	80.8	Confident	100 Å²	100	69.1 Å²	69.1	47%	0.467	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-33.6	178.4	-74.3	177.6	-179.6	0	0	112.5	K68 K76	K68-E72 WeakPolarHBondContact CE-OE1 3.43Å; K68-E72 WeakPolarHBondContact O-CG 3.49Å; K68-E72 PolarHBondContact O-N 2.95Å; E72-K76 WeakPolarHBondContact O-CG 3.42Å
73	K	84.2	Confident	80.7	Confident	135 Å²	135	67.4 Å²	67.4	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-68.5	-47.2	171.5	-69	170.5	-171.6	170	0	111.2	A69 D70 Y71 A75 K76	A69-K73 WeakPolarHBondContact O-CG 3.41Å; A69-K73 PolarHBondContact O-N 3.38Å; D70-K73 PolarHBondContact O-N 3.15Å; Y71-K73 PolarHBondContact O-N 3.29Å; K73-A75 PolarHBondContact O-N 3.04Å; K73-K76 PolarHBondContact O-N 3.35Å
74	A	82.8	Confident	80.6	Confident	10 Å²	10	69.1 Å²	69.1	8%	0.083	37%	0.374	C	S	.	.	H	α-helix	trans	-69.9	-28.6	-179.4	0	0	0	0	0	113.9	Y30 D70 Y71 K76 D77 K79	Y30-A74 HydrophobicContact CE1-CB 4.3Å; Y30-A74 HydrophobicContact CE2-CB 4.34Å; Y30-A74 WeakPolarHBondContact OH-CB 3.34Å; D70-A74 WeakPolarHBondContact O-CB 3.47Å; D70-A74 PolarHBondContact O-N 2.84Å; Y71-A74 CarbonylContact O-C 3.54Å; Y71-A74 PolarHBondContact O-N 3.42Å; Y71-A74 VanDerWaalsContact O-N 3.1Å; A74-K76 VanDerWaalsContact C-N 3.34Å; A74-D77 WeakPolarHBondContact O-CB 3.35Å; A74-D77 PolarHBondContact O-N 3.3Å; A74-K79 PolarHBondContact O-N 3.21Å
75	A	80.4	Confident	80.6	Confident	42 Å²	42	69.3 Å²	69.3	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-67.8	-35.3	176.7	0	0	0	0	0	111.4	Y71 K73 D77 G78	Y71-A75 HydrophobicContact CE1-CB 4.42Å; Y71-A75 HydrophobicContact CE2-CB 4.28Å; Y71-A75 VanDerWaalsContact O-CB 3.27Å; Y71-A75 WeakPolarHBondContact O-CB 3.34Å; Y71-A75 PolarHBondContact O-N 3.18Å; K73-A75 PolarHBondContact O-N 3.04Å; A75-D77 PolarHBondContact O-N 3.19Å; A75-G78 PolarHBondContact O-N 2.88Å
76	K	76.5	Confident	80.6	Confident	183 Å²	183	64.9 Å²	64.9	80%	0.796	35%	0.347	S	S	*	.	H	α-helix	trans	-62.6	-30.4	171.8	-69.6	174.9	-177.3	178.1	0	112.5	E72 K73 A74 G78	E72-K76 WeakPolarHBondContact O-CG 3.42Å; K73-K76 PolarHBondContact O-N 3.35Å; A74-K76 VanDerWaalsContact C-N 3.34Å; K76-G78 PolarHBondContact O-N 2.88Å
77	D	75.5	Confident	80.8	Confident	108 Å²	108	64.4 Å²	64.4	58%	0.578	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.4	175.5	-65.1	-15.8	0	0	0	113.1	A74 A75 K79	A74-D77 WeakPolarHBondContact O-CB 3.35Å; A74-D77 PolarHBondContact O-N 3.3Å; A75-D77 PolarHBondContact O-N 3.19Å; D77-K79 VanDerWaalsContact C-N 3.33Å; D77-K79 HydrophobicContact CB-CD 4.15Å; D77-K79 HydrophobicContact CB-CG 4.18Å; D77-K79 PolarHBondContact O-N 3.37Å
78	G	64.5	Low	81.1	Confident	62 Å²	62	67.2 Å²	67.2	64%	0.639	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	19	178.7	0	0	0	0	0	114.8	A75 K76	A75-G78 PolarHBondContact O-N 2.88Å; K76-G78 PolarHBondContact O-N 2.88Å
79	K	56.8	Low	81.3	Confident	160 Å²	160	66.6 Å²	66.6	70%	0.696	36%	0.355	S	S	*	.			trans	-96.1	-2.8	-168.6	-70.4	178.8	-175.3	162.4	0	116	A74 D77	A74-K79 PolarHBondContact O-N 3.21Å; D77-K79 VanDerWaalsContact C-N 3.33Å; D77-K79 HydrophobicContact CB-CD 4.15Å; D77-K79 HydrophobicContact CB-CG 4.18Å; D77-K79 PolarHBondContact O-N 3.37Å
80	A	62.9	Low	81.6	Confident	13 Å²	13	64.7 Å²	64.7	11%	0.107	34%	0.339	C	S	.	.			trans	-141.2	98.2	-166.8	0	0	0	0	0	114.2	Y71 F82	Y71-A80 HydrophobicContact CD2-CB 4.11Å; Y71-A80 HydrophobicContact CE2-CB 3.6Å; A80-F82 HydrophobicContact CB-CD2 4.11Å; A80-F82 HydrophobicContact CB-CE2 3.79Å; A80-F82 HydrophobicContact CB-CZ 4.47Å; A80-F82 PolarHBondContact O-N 3Å
81	N	73.6	Confident	82	Confident	127 Å²	127	63.7 Å²	63.7	68%	0.679	33%	0.334	S	S	*	.			trans	-88.9	64.6	176	-64.6	-3.5	0	0	0	111.4	D83	N81-D83 PolarHBondContact O-N 2.93Å
82	F	83.5	Confident	82.4	Confident	27 Å²	27	71.3 Å²	71.3	12%	0.118	36%	0.362	C	S	.	.			trans	-81.2	1.8	171.9	-61.8	-54.6	0	0	0	113.4	Y30 T31 R37 L40 Y71 A80 I84 D85 A86	Y30-F82 AromaticContact CD2-CE2 3.79Å; Y30-F82 HydrophobicContact CD2-CE2 3.79Å; Y30-F82 HydrophobicContact CD2-CZ 4.23Å; Y30-F82 HydrophobicContact CE2-CE2 4.03Å; Y30-F82 HydrophobicContact CE2-CZ 4.38Å; T31-F82 HydrophobicContact CG2-CZ 4.24Å; R37-F82 HydrophobicContact CB-CB 4.26Å; R37-F82 HydrophobicContact CG-CB 4.33Å; R37-F82 HydrophobicContact CG-CD1 4.22Å; R37-F82 HydrophobicContact CG-CG 4.34Å; L40-F82 HydrophobicContact CD1-CD2 4.38Å; Y71-F82 AromaticContact CD2-CD2 3.69Å; Y71-F82 HydrophobicContact CD2-CD2 3.69Å; Y71-F82 AromaticContact CD2-CE2 3.78Å; Y71-F82 HydrophobicContact CD2-CE2 3.78Å; Y71-F82 AromaticContact CE2-CD2 3.29Å; Y71-F82 HydrophobicContact CE2-CD2 3.29Å; Y71-F82 AromaticContact CE2-CE2 3.77Å; Y71-F82 HydrophobicContact CE2-CE2 3.77Å; Y71-F82 HydrophobicContact CE2-CG 4.41Å; A80-F82 HydrophobicContact CB-CD2 4.11Å; A80-F82 HydrophobicContact CB-CE2 3.79Å; A80-F82 HydrophobicContact CB-CZ 4.47Å; A80-F82 PolarHBondContact O-N 3Å; F82-I84 VanDerWaalsContact C-N 3.3Å; F82-I84 PolarHBondContact O-N 3.15Å; F82-D85 PolarHBondContact O-N 3.34Å; F82-A86 WeakPolarHBondContact O-CB 3.28Å; F82-A86 PolarHBondContact O-N 3.37Å; F82-A86 VanDerWaalsContact O-N 3.08Å
83	D	85.6	Confident	82.7	Confident	29 Å²	29	67.6 Å²	67.6	16%	0.155	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-37.7	-177.5	-59.7	-41.1	0	0	0	112.3	N81 A86 L87 L228 V232	N81-D83 PolarHBondContact O-N 2.93Å; D83-A86 PolarHBondContact O-N 3.21Å; D83-L87 VanDerWaalsContact O-CB 3.22Å; D83-L87 WeakPolarHBondContact O-CB 3.4Å; D83-L87 PolarHBondContact O-N 3.32Å; D83-L228 HydrophobicContact CB-CD2 3.96Å; D83-V232 HydrophobicContact CB-CG2 3.71Å
84	I	87.4	Confident	83.2	Confident	93 Å²	93	61.2 Å²	61.2	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-50.8	179.4	-60.3	173.1	0	0	0	110.3	F82 A86 L87 D88 V232	F82-I84 VanDerWaalsContact C-N 3.3Å; F82-I84 PolarHBondContact O-N 3.15Å; I84-A86 VanDerWaalsContact C-N 3.3Å; I84-A86 PolarHBondContact O-N 2.97Å; I84-L87 WeakPolarHBondContact O-CB 3.48Å; I84-L87 PolarHBondContact O-N 3.09Å; I84-D88 PolarHBondContact O-N 3.44Å; I84-V232 HydrophobicContact CG1-CG1 4.04Å; I84-V232 HydrophobicContact CG1-CG2 4.3Å
85	D	87.9	Confident	83.7	Confident	57 Å²	57	64.5 Å²	64.5	31%	0.305	34%	0.336	S	S	.	.	H	α-helix	trans	-68.6	-32.4	-178	-62.9	-62.8	0	0	0	113	R37 F82 H89	R37-D85 HydrophobicContact CB-CB 4.37Å; R37-D85 WeakPolarHBondContact CD-OD2 3.35Å; R37-D85 HydrophobicContact CG-CB 4.42Å; R37-D85 IonicContact CZ-OD1 3.96Å; R37-D85 IonicContact CZ-OD2 3.21Å; R37-D85 IonicContact NE-OD2 3.38Å; R37-D85 PolarHBondContact NE-OD2 3.47Å; R37-D85 IonicContact NH1-OD1 2.82Å; R37-D85 PolarHBondContact NH1-OD1 2.79Å; R37-D85 IonicContact NH1-OD2 2.72Å; R37-D85 PolarHBondContact NH1-OD2 3Å; F82-D85 PolarHBondContact O-N 3.34Å; D85-H89 PolarHBondContact O-N 3.33Å; D85-H89 VanDerWaalsContact O-N 3.17Å
86	A	88.3	Confident	84.3	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-70.3	-40.3	175.4	0	0	0	0	0	111.5	T38 L41 F82 D83 I84 H89 L90 L228	T38-A86 HydrophobicContact CG2-CB 3.84Å; T38-A86 WeakPolarHBondContact CG2-O 3.26Å; L41-A86 HydrophobicContact CD1-CB 3.23Å; F82-A86 WeakPolarHBondContact O-CB 3.28Å; F82-A86 PolarHBondContact O-N 3.37Å; F82-A86 VanDerWaalsContact O-N 3.08Å; D83-A86 PolarHBondContact O-N 3.21Å; I84-A86 VanDerWaalsContact C-N 3.3Å; I84-A86 PolarHBondContact O-N 2.97Å; A86-H89 PolarHBondContact O-N 3.49Å; A86-L90 WeakPolarHBondContact O-CG 3.14Å; A86-L90 PolarHBondContact O-N 2.96Å; A86-L228 HydrophobicContact CB-CD1 4.29Å
87	L	91	Very high	85	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-47.5	172.9	-177.6	147.3	0	0	0	110.8	D83 I84 H89 L90 D91 L228 K229 V232 Y233	D83-L87 VanDerWaalsContact O-CB 3.22Å; D83-L87 WeakPolarHBondContact O-CB 3.4Å; D83-L87 PolarHBondContact O-N 3.32Å; I84-L87 WeakPolarHBondContact O-CB 3.48Å; I84-L87 PolarHBondContact O-N 3.09Å; L87-H89 VanDerWaalsContact C-N 3.29Å; L87-H89 PolarHBondContact O-N 3.41Å; L87-L90 PolarHBondContact O-N 2.62Å; L87-D91 WeakPolarHBondContact O-CB 3.38Å; L87-D91 PolarHBondContact O-N 2.67Å; L87-L228 HydrophobicContact CD1-CB 4.43Å; L87-K229 HydrophobicContact CD1-CB 4.27Å; L87-K229 HydrophobicContact CD1-CG 3.74Å; L87-K229 HydrophobicContact CG-CG 4.49Å; L87-V232 HydrophobicContact CB-CG2 4.44Å; L87-V232 HydrophobicContact CD1-CB 3.89Å; L87-V232 HydrophobicContact CD1-CG1 4.28Å; L87-V232 HydrophobicContact CD1-CG2 3.94Å; L87-Y233 HydrophobicContact CD1-CE2 4.41Å
88	D	91.6	Very high	85.9	Confident	72 Å²	72	55 Å²	55	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-39.7	177.4	-80.7	-2.6	0	0	0	112.5	I84 R92	I84-D88 PolarHBondContact O-N 3.44Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 3.08Å
89	H	91.4	Very high	87.3	Confident	47 Å²	47	58.6 Å²	58.6	22%	0.218	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-45.6	176.5	-177.1	-161.2	0	0	0	111.6	T38 F46 D85 A86 L87 F93	T38-H89 HydrophobicContact CG2-CB 3.72Å; T38-H89 VanDerWaalsContact CG2-ND1 3.27Å; T38-H89 WeakPolarHBondContact CG2-ND1 3.46Å; T38-H89 PolarHBondContact OG1-CE1 2.89Å; T38-H89 PolarHBondContact OG1-ND1 3.35Å; F46-H89 AromaticContact CE2-NE2 3.87Å; D85-H89 PolarHBondContact O-N 3.33Å; D85-H89 VanDerWaalsContact O-N 3.17Å; A86-H89 PolarHBondContact O-N 3.49Å; L87-H89 VanDerWaalsContact C-N 3.29Å; L87-H89 PolarHBondContact O-N 3.41Å; H89-F93 WeakPolarHBondContact O-CB 3.19Å; H89-F93 PolarHBondContact O-N 2.66Å; H89-F93 VanDerWaalsContact O-N 3.13Å
90	L	92.9	Very high	88.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-35.6	177.6	-72	174.6	0	0	0	112.3	T38 P45 A86 L87 F93 F94 L221 Y225 L228	T38-L90 HydrophobicContact CG2-CG 4.31Å; P45-L90 HydrophobicContact CG-CD2 3.82Å; A86-L90 WeakPolarHBondContact O-CG 3.14Å; A86-L90 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 2.62Å; L90-F93 PolarHBondContact O-N 3.36Å; L90-F94 HydrophobicContact CB-CD2 4.32Å; L90-F94 HydrophobicContact CB-CE2 4.45Å; L90-F94 HydrophobicContact CD2-CE2 4.3Å; L90-F94 WeakPolarHBondContact O-CB 3.32Å; L90-F94 WeakPolarHBondContact O-CD2 3.45Å; L90-F94 PolarHBondContact O-N 3.04Å; L90-L221 HydrophobicContact CD2-CD2 4.31Å; L90-Y225 HydrophobicContact CB-CD2 3.61Å; L90-Y225 HydrophobicContact CB-CE2 4.24Å; L90-Y225 HydrophobicContact CB-CG 4.38Å; L90-Y225 HydrophobicContact CD1-CD2 4.44Å; L90-L228 HydrophobicContact CD1-CD1 3.58Å
91	D	94.2	Very high	90.3	Very high	55 Å²	55	56.8 Å²	56.8	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-46.2	178.9	-168	70.6	0	0	0	111.3	L87 F93 F94 T95 Y225	L87-D91 WeakPolarHBondContact O-CB 3.38Å; L87-D91 PolarHBondContact O-N 2.67Å; D91-F93 PolarHBondContact O-N 3.07Å; D91-F94 PolarHBondContact O-N 2.94Å; D91-T95 VanDerWaalsContact O-CB 3.25Å; D91-T95 WeakPolarHBondContact O-CB 3.41Å; D91-T95 PolarHBondContact O-N 2.83Å; D91-T95 PolarHBondContact O-OG1 2.83Å; D91-Y225 HydrophobicContact CB-CE2 3.97Å; D91-Y225 PolarHBondContact OD1-OH 2.82Å
92	R	93.2	Very high	91.3	Very high	172 Å²	172	56 Å²	56	65%	0.649	27%	0.266	S	S	*	.	H	α-helix	trans	-60.7	-45.9	172.8	-69.3	174.5	-170.4	169.2	6.8	111.4	D88 T95 D96	D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 3.08Å; R92-T95 PolarHBondContact O-N 3.48Å; R92-D96 PolarHBondContact O-N 3Å; R92-D96 VanDerWaalsContact O-N 3.07Å
93	F	93	Very high	91.8	Very high	22 Å²	22	59.4 Å²	59.4	10%	0.096	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-45.6	179.8	174.5	-99.4	0	0	0	112.4	P45 L49 M56 H89 L90 D91 S97 Y218 L221	P45-F93 HydrophobicContact CB-CD1 4.15Å; P45-F93 HydrophobicContact CB-CD2 3.81Å; P45-F93 HydrophobicContact CB-CE1 4.17Å; P45-F93 HydrophobicContact CB-CE2 3.85Å; P45-F93 HydrophobicContact CB-CG 3.98Å; P45-F93 HydrophobicContact CB-CZ 4.04Å; P45-F93 HydrophobicContact CG-CB 4.23Å; P45-F93 HydrophobicContact CG-CD1 3.94Å; P45-F93 HydrophobicContact CG-CD2 4.1Å; P45-F93 HydrophobicContact CG-CE1 4.39Å; P45-F93 HydrophobicContact CG-CG 3.78Å; L49-F93 HydrophobicContact CD1-CE1 4.43Å; L49-F93 HydrophobicContact CD1-CE2 4.24Å; L49-F93 HydrophobicContact CD1-CZ 3.57Å; M56-F93 HydrophobicContact CE-CD2 4.13Å; M56-F93 HydrophobicContact CE-CE2 3.49Å; M56-F93 VanDerWaalsContact CE-CE2 3.49Å; M56-F93 HydrophobicContact CE-CZ 4.28Å; M56-F93 HydrophobicContact SD-CD2 4.16Å; M56-F93 HydrophobicContact SD-CE2 3.71Å; H89-F93 WeakPolarHBondContact O-CB 3.19Å; H89-F93 PolarHBondContact O-N 2.66Å; H89-F93 VanDerWaalsContact O-N 3.13Å; L90-F93 PolarHBondContact O-N 3.36Å; D91-F93 PolarHBondContact O-N 3.07Å; F93-S97 VanDerWaalsContact O-CB 3.31Å; F93-S97 WeakPolarHBondContact O-CB 3.2Å; F93-S97 PolarHBondContact O-N 3.22Å; F93-S97 PolarHBondContact O-OG 3.42Å; F93-Y218 AromaticContact CE1-CE1 3.96Å; F93-Y218 HydrophobicContact CE1-CE1 3.96Å; F93-Y218 AromaticContact CZ-CE1 3.91Å; F93-Y218 HydrophobicContact CZ-CE1 3.91Å; F93-L221 HydrophobicContact CE1-CD1 4.17Å
94	F	93.9	Very high	92.1	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-38.8	179.2	-80.3	-59.1	0	0	0	112.3	L90 D91 D96 S97 D98 Y218 L221 R222 Y225	L90-F94 HydrophobicContact CB-CD2 4.32Å; L90-F94 HydrophobicContact CB-CE2 4.45Å; L90-F94 HydrophobicContact CD2-CE2 4.3Å; L90-F94 WeakPolarHBondContact O-CB 3.32Å; L90-F94 WeakPolarHBondContact O-CD2 3.45Å; L90-F94 PolarHBondContact O-N 3.04Å; D91-F94 PolarHBondContact O-N 2.94Å; F94-D96 VanDerWaalsContact C-N 3.29Å; F94-D96 PolarHBondContact O-N 3.29Å; F94-S97 PolarHBondContact O-N 3.12Å; F94-S97 VanDerWaalsContact O-N 3.16Å; F94-D98 VanDerWaalsContact O-CB 3.23Å; F94-D98 WeakPolarHBondContact O-CB 3.34Å; F94-D98 VanDerWaalsContact O-CG 3.25Å; F94-D98 PolarHBondContact O-N 3.19Å; F94-Y218 HydrophobicContact CE1-CD1 4.29Å; F94-L221 HydrophobicContact CE2-CB 4.24Å; F94-L221 VanDerWaalsContact CZ-C 3.49Å; F94-L221 HydrophobicContact CZ-CB 3.59Å; F94-R222 HydrophobicContact CD1-CG 4.12Å; F94-R222 HydrophobicContact CE1-CB 4.45Å; F94-R222 HydrophobicContact CE1-CG 3.31Å; F94-R222 HydrophobicContact CE2-CG 4.45Å; F94-R222 HydrophobicContact CZ-CB 4.2Å; F94-R222 HydrophobicContact CZ-CG 3.5Å; F94-Y225 AromaticContact CD2-CD1 3.74Å; F94-Y225 HydrophobicContact CD2-CD1 3.74Å; F94-Y225 HydrophobicContact CD2-CD2 4.03Å; F94-Y225 HydrophobicContact CD2-CE1 4.14Å; F94-Y225 HydrophobicContact CD2-CE2 4.4Å; F94-Y225 AromaticContact CD2-CG 3.65Å; F94-Y225 HydrophobicContact CD2-CG 3.65Å; F94-Y225 HydrophobicContact CE2-CD1 4.13Å; F94-Y225 HydrophobicContact CE2-CD2 4.46Å; F94-Y225 AromaticContact CE2-CG 3.83Å; F94-Y225 HydrophobicContact CE2-CG 3.83Å; F94-Y225 HydrophobicContact CG-CD1 4.45Å
95	T	94.1	Very high	92.3	Very high	79 Å²	79	56.5 Å²	56.5	49%	0.485	27%	0.266	S	S	.	.	H	α-helix	trans	-57.3	-44	174.3	-61.7	0	0	0	0	111.4	D91 R92 R99	D91-T95 VanDerWaalsContact O-CB 3.25Å; D91-T95 WeakPolarHBondContact O-CB 3.41Å; D91-T95 PolarHBondContact O-N 2.83Å; D91-T95 PolarHBondContact O-OG1 2.83Å; R92-T95 PolarHBondContact O-N 3.48Å; T95-R99 WeakPolarHBondContact O-CB 3.34Å; T95-R99 PolarHBondContact O-N 3.34Å
96	D	92.7	Very high	92.6	Very high	73 Å²	73	59.9 Å²	59.9	39%	0.39	28%	0.278	S	S	.	.	H	α-helix	trans	-69.4	-39.9	176.7	-82.9	-29.8	0	0	0	112.5	R92 F94 R99 K100	R92-D96 PolarHBondContact O-N 3Å; R92-D96 VanDerWaalsContact O-N 3.07Å; F94-D96 VanDerWaalsContact C-N 3.29Å; F94-D96 PolarHBondContact O-N 3.29Å; D96-R99 IonicContact OD1-CZ 3.73Å; D96-R99 IonicContact OD1-NH2 2.83Å; D96-R99 PolarHBondContact OD1-NH2 3.15Å; D96-K100 VanDerWaalsContact O-CG 3.32Å; D96-K100 WeakPolarHBondContact O-CG 3.31Å; D96-K100 PolarHBondContact O-N 2.96Å; D96-K100 VanDerWaalsContact O-N 3.1Å
97	S	91.3	Very high	92.7	Very high	8 Å²	8	66.7 Å²	66.7	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-69.7	-42.7	-179.3	-62.3	0	0	0	0	112.3	F93 F94 K100 M101	F93-S97 VanDerWaalsContact O-CB 3.31Å; F93-S97 WeakPolarHBondContact O-CB 3.2Å; F93-S97 PolarHBondContact O-N 3.22Å; F93-S97 PolarHBondContact O-OG 3.42Å; F94-S97 PolarHBondContact O-N 3.12Å; F94-S97 VanDerWaalsContact O-N 3.16Å; S97-K100 PolarHBondContact O-N 2.71Å; S97-M101 WeakPolarHBondContact O-CB 3.44Å; S97-M101 PolarHBondContact O-N 3.22Å
98	D	93.4	Very high	92.6	Very high	53 Å²	53	67.2 Å²	67.2	28%	0.283	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-37.4	178.7	-68.1	-17.1	0	0	0	110.5	F94 K100 M101 E102 R222	F94-D98 VanDerWaalsContact O-CB 3.23Å; F94-D98 WeakPolarHBondContact O-CB 3.34Å; F94-D98 VanDerWaalsContact O-CG 3.25Å; F94-D98 PolarHBondContact O-N 3.19Å; D98-K100 VanDerWaalsContact C-N 3.33Å; D98-K100 PolarHBondContact O-N 2.96Å; D98-M101 WeakPolarHBondContact O-CB 3.2Å; D98-M101 PolarHBondContact O-N 3.38Å; D98-E102 WeakPolarHBondContact O-CB 3.4Å; D98-E102 PolarHBondContact O-N 2.91Å; D98-R222 IonicContact OD1-CZ 3.49Å; D98-R222 VanDerWaalsContact OD1-CZ 3.24Å; D98-R222 IonicContact OD1-NH1 3.63Å; D98-R222 PolarHBondContact OD1-NH1 3.07Å; D98-R222 IonicContact OD1-NH2 2.69Å; D98-R222 PolarHBondContact OD1-NH2 3.35Å; D98-R222 IonicContact OD2-NH1 3.54Å; D98-R222 PolarHBondContact OD2-NH1 3.2Å
99	R	93.9	Very high	92.5	Very high	137 Å²	137	66.2 Å²	66.2	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-45.1	170	-175.7	-178.8	65.6	-169.6	-11.9	111.6	T95 D96 M101 E102 Q103	T95-R99 WeakPolarHBondContact O-CB 3.34Å; T95-R99 PolarHBondContact O-N 3.34Å; D96-R99 IonicContact OD1-CZ 3.73Å; D96-R99 IonicContact OD1-NH2 2.83Å; D96-R99 PolarHBondContact OD1-NH2 3.15Å; R99-M101 VanDerWaalsContact C-N 3.34Å; R99-E102 PolarHBondContact O-N 2.91Å; R99-Q103 WeakPolarHBondContact O-CB 3.5Å; R99-Q103 VanDerWaalsContact O-CG 3.28Å; R99-Q103 WeakPolarHBondContact O-CG 2.94Å; R99-Q103 PolarHBondContact O-N 2.89Å
100	K	91.8	Very high	92.5	Very high	115 Å²	115	67.9 Å²	67.9	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-38.7	176.9	-74.4	173	-177.5	175.5	0	111.8	D96 S97 D98 A104	D96-K100 VanDerWaalsContact O-CG 3.32Å; D96-K100 WeakPolarHBondContact O-CG 3.31Å; D96-K100 PolarHBondContact O-N 2.96Å; D96-K100 VanDerWaalsContact O-N 3.1Å; S97-K100 PolarHBondContact O-N 2.71Å; D98-K100 VanDerWaalsContact C-N 3.33Å; D98-K100 PolarHBondContact O-N 2.96Å; K100-A104 WeakPolarHBondContact O-CB 3.01Å; K100-A104 PolarHBondContact O-N 3.1Å
101	M	92.2	Very high	92.2	Very high	19 Å²	19	70.1 Å²	70.1	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-48.2	175.4	-172.3	177.7	64.2	0	0	111	S97 D98 R99 Q103 A104 K105 V189 E191 S194	S97-M101 WeakPolarHBondContact O-CB 3.44Å; S97-M101 PolarHBondContact O-N 3.22Å; D98-M101 WeakPolarHBondContact O-CB 3.2Å; D98-M101 PolarHBondContact O-N 3.38Å; R99-M101 VanDerWaalsContact C-N 3.34Å; M101-Q103 PolarHBondContact O-N 2.86Å; M101-A104 WeakPolarHBondContact O-CB 3.3Å; M101-A104 PolarHBondContact O-N 3.28Å; M101-A104 VanDerWaalsContact O-N 3.08Å; M101-K105 PolarHBondContact O-N 2.83Å; M101-V189 HydrophobicContact CG-CG1 4.16Å; M101-E191 VanDerWaalsContact SD-C 3.56Å; M101-E191 VanDerWaalsContact SD-CA 3.58Å; M101-S194 WeakPolarHBondContact CB-OG 3.42Å
102	E	94.2	Very high	91.8	Very high	112 Å²	112	69.5 Å²	69.5	52%	0.523	33%	0.325	S	S	.	.	H	α-helix	trans	-67	-39	-177.7	-160.5	58.9	-157.5	0	0	111.6	D98 R99 A104 K105 K106	D98-E102 WeakPolarHBondContact O-CB 3.4Å; D98-E102 PolarHBondContact O-N 2.91Å; R99-E102 PolarHBondContact O-N 2.91Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.04Å; E102-K105 PolarHBondContact O-N 3.06Å; E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.45Å; E102-K106 PolarHBondContact O-N 3.38Å
103	Q	93.6	Very high	91.5	Very high	98 Å²	98	67.4 Å²	67.4	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-34.5	171	-72.9	174.4	-7.1	0	0	112.8	R99 M101 R107	R99-Q103 WeakPolarHBondContact O-CB 3.5Å; R99-Q103 VanDerWaalsContact O-CG 3.28Å; R99-Q103 WeakPolarHBondContact O-CG 2.94Å; R99-Q103 PolarHBondContact O-N 2.89Å; M101-Q103 PolarHBondContact O-N 2.86Å; Q103-R107 WeakPolarHBondContact O-CB 3.38Å; Q103-R107 VanDerWaalsContact O-CG 3.24Å; Q103-R107 WeakPolarHBondContact O-CG 3.28Å; Q103-R107 PolarHBondContact O-N 3.37Å; Q103-R107 VanDerWaalsContact O-N 3.09Å; Q103-R107 PolarHBondContact O-NE 3.28Å; Q103-R107 VanDerWaalsContact O-NE 3.09Å
104	A	91.3	Very high	91.1	Very high	7 Å²	7	72.7 Å²	72.7	6%	0.058	35%	0.347	C	S	.	.	H	α-helix	trans	-70.9	-43.1	174.7	0	0	0	0	0	111.5	K100 M101 E102 L108 V189	K100-A104 WeakPolarHBondContact O-CB 3.01Å; K100-A104 PolarHBondContact O-N 3.1Å; M101-A104 WeakPolarHBondContact O-CB 3.3Å; M101-A104 PolarHBondContact O-N 3.28Å; M101-A104 VanDerWaalsContact O-N 3.08Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.04Å; A104-L108 VanDerWaalsContact O-CB 3.32Å; A104-L108 WeakPolarHBondContact O-CB 3.45Å; A104-L108 PolarHBondContact O-N 3.03Å; A104-V189 HydrophobicContact CB-CG1 4.46Å; A104-V189 HydrophobicContact CB-CG2 4.25Å
105	K	92.8	Very high	90.5	Very high	54 Å²	54	73.8 Å²	73.8	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-50.1	174.5	-75.7	-177.8	175.4	-166.8	0	111.1	M101 E102 L108 A109 V189 E191	M101-K105 PolarHBondContact O-N 2.83Å; E102-K105 PolarHBondContact O-N 3.06Å; K105-L108 PolarHBondContact O-N 3.3Å; K105-A109 WeakPolarHBondContact O-CB 3.36Å; K105-A109 PolarHBondContact O-N 2.84Å; K105-V189 HydrophobicContact CG-CB 3.77Å; K105-V189 HydrophobicContact CG-CG1 4.19Å; K105-V189 HydrophobicContact CG-CG2 4.09Å; K105-E191 IonicContact NZ-OE1 2.69Å; K105-E191 PolarHBondContact NZ-OE1 3.37Å
106	K	93.5	Very high	90.1	Very high	128 Å²	128	73.9 Å²	73.9	56%	0.557	35%	0.35	S	S	*	.	H	α-helix	trans	-60.1	-51.2	179.6	-177.4	175.7	170.6	177.1	0	111.9	E102 L108 A109 E110	E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.45Å; E102-K106 PolarHBondContact O-N 3.38Å; K106-L108 VanDerWaalsContact C-N 3.28Å; K106-L108 PolarHBondContact O-N 3.13Å; K106-A109 PolarHBondContact O-N 3.39Å; K106-A109 VanDerWaalsContact O-N 3.16Å; K106-E110 WeakPolarHBondContact CE-OE1 3.41Å; K106-E110 HydrophobicContact CG-CG 4.43Å; K106-E110 IonicContact NZ-OE1 3.59Å; K106-E110 WeakPolarHBondContact O-CG 3.4Å; K106-E110 PolarHBondContact O-N 2.76Å
107	R	91	Very high	89.8	Confident	142 Å²	142	73.7 Å²	73.7	54%	0.536	35%	0.352	S	S	.	.	H	α-helix	trans	-58.8	-41.3	177.9	-76.9	-178	-65.7	179.1	0.7	112.2	Q103 E110 T111	Q103-R107 WeakPolarHBondContact O-CB 3.38Å; Q103-R107 VanDerWaalsContact O-CG 3.24Å; Q103-R107 WeakPolarHBondContact O-CG 3.28Å; Q103-R107 PolarHBondContact O-N 3.37Å; Q103-R107 VanDerWaalsContact O-N 3.09Å; Q103-R107 PolarHBondContact O-NE 3.28Å; Q103-R107 VanDerWaalsContact O-NE 3.09Å; R107-E110 PolarHBondContact O-N 3.17Å; R107-T111 PolarHBondContact O-N 3.1Å; R107-T111 PolarHBondContact O-OG1 3.37Å
108	L	89.1	Confident	89.5	Confident	17 Å²	17	77.7 Å²	77.7	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-45	177.6	-176.5	65.5	0	0	0	111.1	A104 K105 K106 T111 Q112 L187 V189 Y196	A104-L108 VanDerWaalsContact O-CB 3.32Å; A104-L108 WeakPolarHBondContact O-CB 3.45Å; A104-L108 PolarHBondContact O-N 3.03Å; K105-L108 PolarHBondContact O-N 3.3Å; K106-L108 VanDerWaalsContact C-N 3.28Å; K106-L108 PolarHBondContact O-N 3.13Å; L108-T111 PolarHBondContact O-N 3.43Å; L108-Q112 HydrophobicContact CD1-CG 4.41Å; L108-Q112 HydrophobicContact CG-CG 4.43Å; L108-Q112 WeakPolarHBondContact O-CB 3.3Å; L108-Q112 WeakPolarHBondContact O-CG 3.44Å; L108-Q112 PolarHBondContact O-N 3.06Å; L108-L187 HydrophobicContact CD1-CB 4.01Å; L108-L187 HydrophobicContact CD2-CB 4.06Å; L108-V189 HydrophobicContact CD2-CG2 3.98Å; L108-Y196 HydrophobicContact CB-CE1 4.31Å; L108-Y196 HydrophobicContact CD1-CE1 4.36Å; L108-Y196 HydrophobicContact CD2-CD1 4.11Å; L108-Y196 HydrophobicContact CD2-CE1 4.08Å; L108-Y196 HydrophobicContact CG-CE1 4.5Å
109	A	89.4	Confident	89.1	Confident	50 Å²	50	77 Å²	77	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-44.8	177.4	0	0	0	0	0	111.9	K105 K106 Q112 E113	K105-A109 WeakPolarHBondContact O-CB 3.36Å; K105-A109 PolarHBondContact O-N 2.84Å; K106-A109 PolarHBondContact O-N 3.39Å; K106-A109 VanDerWaalsContact O-N 3.16Å; A109-Q112 PolarHBondContact O-N 2.95Å; A109-E113 WeakPolarHBondContact O-CB 3.28Å; A109-E113 PolarHBondContact O-N 2.9Å
110	E	90.2	Very high	88.7	Confident	82 Å²	82	74.1 Å²	74.1	38%	0.383	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-49.1	176.2	-72.5	171.1	163.1	0	0	111.2	K106 R107 Q112 E113 E114	K106-E110 WeakPolarHBondContact CE-OE1 3.41Å; K106-E110 HydrophobicContact CG-CG 4.43Å; K106-E110 IonicContact NZ-OE1 3.59Å; K106-E110 WeakPolarHBondContact O-CG 3.4Å; K106-E110 PolarHBondContact O-N 2.76Å; R107-E110 PolarHBondContact O-N 3.17Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-Q112 PolarHBondContact O-N 3.05Å; E110-E113 PolarHBondContact O-N 3.16Å; E110-E114 WeakPolarHBondContact O-CB 3.45Å; E110-E114 VanDerWaalsContact O-CG 3.31Å; E110-E114 WeakPolarHBondContact O-CG 3.15Å; E110-E114 PolarHBondContact O-N 3.23Å
111	T	86.8	Confident	88.6	Confident	47 Å²	47	74 Å²	74	29%	0.288	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.7	-57.8	0	0	0	0	111.7	R107 L108 M115	R107-T111 PolarHBondContact O-N 3.1Å; R107-T111 PolarHBondContact O-OG1 3.37Å; L108-T111 PolarHBondContact O-N 3.43Å; T111-M115 HydrophobicContact CG2-SD 3.83Å; T111-M115 WeakPolarHBondContact O-CB 3.48Å; T111-M115 WeakPolarHBondContact O-CG 3.28Å; T111-M115 PolarHBondContact O-N 3.4Å; T111-M115 VanDerWaalsContact O-N 3.1Å; T111-M115 VanDerWaalsContact O-SD 3.38Å
112	Q	85.9	Confident	88.4	Confident	42 Å²	42	74.5 Å²	74.5	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-66.5	-38.5	178.3	-71.3	179.5	-15.9	0	0	112.6	L108 A109 E110 N116 Q184 Q185 L187	L108-Q112 HydrophobicContact CD1-CG 4.41Å; L108-Q112 HydrophobicContact CG-CG 4.43Å; L108-Q112 WeakPolarHBondContact O-CB 3.3Å; L108-Q112 WeakPolarHBondContact O-CG 3.44Å; L108-Q112 PolarHBondContact O-N 3.06Å; A109-Q112 PolarHBondContact O-N 2.95Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-Q112 PolarHBondContact O-N 3.05Å; Q112-N116 WeakPolarHBondContact O-CB 3.03Å; Q112-N116 PolarHBondContact O-N 3.24Å; Q112-N116 PolarHBondContact O-ND2 3.37Å; Q112-Q184 PolarHBondContact NE2-O 3.48Å; Q112-Q185 PolarHBondContact NE2-O 3.47Å; Q112-L187 PolarHBondContact NE2-O 2.69Å
113	E	86.8	Confident	88.1	Confident	129 Å²	129	70.4 Å²	70.4	60%	0.603	35%	0.352	S	S	*	.	H	α-helix	trans	-68.4	-49.2	177	-174.2	171.6	-169.5	0	0	111.3	A109 E110 M115 N116 V117	A109-E113 WeakPolarHBondContact O-CB 3.28Å; A109-E113 PolarHBondContact O-N 2.9Å; E110-E113 PolarHBondContact O-N 3.16Å; E113-M115 VanDerWaalsContact C-N 3.25Å; E113-M115 PolarHBondContact O-N 2.9Å; E113-N116 PolarHBondContact O-N 2.84Å; E113-V117 HydrophobicContact CG-CG2 4.49Å; E113-V117 WeakPolarHBondContact O-CG2 3.37Å; E113-V117 PolarHBondContact O-N 3.22Å
114	E	85.5	Confident	88	Confident	132 Å²	132	69.5 Å²	69.5	62%	0.617	35%	0.35	S	S	*	.	H	α-helix	trans	-53.2	-45.2	175.5	-75	174.3	176.1	0	0	111.3	E110 V117 E118	E110-E114 WeakPolarHBondContact O-CB 3.45Å; E110-E114 VanDerWaalsContact O-CG 3.31Å; E110-E114 WeakPolarHBondContact O-CG 3.15Å; E110-E114 PolarHBondContact O-N 3.23Å; E114-V117 PolarHBondContact O-N 2.87Å; E114-E118 WeakPolarHBondContact O-CB 3.31Å; E114-E118 PolarHBondContact O-N 3Å
115	M	81.8	Confident	88.1	Confident	25 Å²	25	75.1 Å²	75.1	12%	0.123	37%	0.373	C	S	.	.	H	α-helix	trans	-67.9	-37	178.3	-67.7	171	70.6	0	0	113.3	T111 E113 L119 S181 Q184 Q185	T111-M115 HydrophobicContact CG2-SD 3.83Å; T111-M115 WeakPolarHBondContact O-CB 3.48Å; T111-M115 WeakPolarHBondContact O-CG 3.28Å; T111-M115 PolarHBondContact O-N 3.4Å; T111-M115 VanDerWaalsContact O-N 3.1Å; T111-M115 VanDerWaalsContact O-SD 3.38Å; E113-M115 VanDerWaalsContact C-N 3.25Å; E113-M115 PolarHBondContact O-N 2.9Å; M115-L119 WeakPolarHBondContact O-CB 3.43Å; M115-L119 PolarHBondContact O-N 3.26Å; M115-S181 WeakPolarHBondContact CE-O 3.49Å; M115-Q184 HydrophobicContact SD-CB 4.19Å; M115-Q185 HydrophobicContact CE-CG 4.03Å; M115-Q185 HydrophobicContact SD-CG 4.35Å
116	N	85	Confident	88	Confident	81 Å²	81	73.2 Å²	73.2	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-67.4	-40.9	175.8	-73	-19.3	0	0	0	110.9	Q112 E113 T120 Q185	Q112-N116 WeakPolarHBondContact O-CB 3.03Å; Q112-N116 PolarHBondContact O-N 3.24Å; Q112-N116 PolarHBondContact O-ND2 3.37Å; E113-N116 PolarHBondContact O-N 2.84Å; N116-T120 WeakPolarHBondContact O-CB 3.15Å; N116-T120 PolarHBondContact O-N 2.78Å; N116-T120 PolarHBondContact O-OG1 3.31Å; N116-Q185 PolarHBondContact OD1-NE2 3.18Å
117	V	86.5	Confident	88	Confident	70 Å²	70	71.8 Å²	71.8	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-51.5	176.3	173.7	0	0	0	0	110.1	E113 E114 L119 T120 E121	E113-V117 HydrophobicContact CG-CG2 4.49Å; E113-V117 WeakPolarHBondContact O-CG2 3.37Å; E113-V117 PolarHBondContact O-N 3.22Å; E114-V117 PolarHBondContact O-N 2.87Å; V117-L119 VanDerWaalsContact C-N 3.28Å; V117-L119 PolarHBondContact O-N 2.89Å; V117-T120 PolarHBondContact O-N 2.79Å; V117-E121 HydrophobicContact CG1-CG 4.27Å; V117-E121 WeakPolarHBondContact O-CG 3.4Å; V117-E121 PolarHBondContact O-N 3.49Å
118	E	84.7	Confident	88.1	Confident	91 Å²	91	69.7 Å²	69.7	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-57.6	-42.2	178.8	-171.5	-174.1	168.7	0	0	111.7	E114 K122	E114-E118 WeakPolarHBondContact O-CB 3.31Å; E114-E118 PolarHBondContact O-N 3Å; E118-K122 HydrophobicContact CG-CD 4.26Å; E118-K122 WeakPolarHBondContact O-CB 3.37Å; E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 3.05Å; E118-K122 VanDerWaalsContact O-N 3.09Å; E118-K122 IonicContact OE1-NZ 3.68Å; E118-K122 PolarHBondContact OE1-NZ 2.8Å
119	L	84.7	Confident	88.4	Confident	39 Å²	39	69.9 Å²	69.9	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-39.9	176.6	-175.7	65.8	0	0	0	112.1	M115 V117 A123 Y173 M177	M115-L119 WeakPolarHBondContact O-CB 3.43Å; M115-L119 PolarHBondContact O-N 3.26Å; V117-L119 VanDerWaalsContact C-N 3.28Å; V117-L119 PolarHBondContact O-N 2.89Å; L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 3.33Å; L119-Y173 HydrophobicContact CD1-CD2 3.94Å; L119-Y173 HydrophobicContact CD1-CE2 3.29Å; L119-Y173 HydrophobicContact CG-CE2 4.03Å; L119-M177 HydrophobicContact CD1-CG 3.46Å; L119-M177 VanDerWaalsContact CD1-CG 3.46Å; L119-M177 HydrophobicContact CD1-SD 3.88Å; L119-M177 HydrophobicContact CD2-SD 4.14Å
120	T	86.7	Confident	88.6	Confident	76 Å²	76	70.3 Å²	70.3	47%	0.466	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-46.3	179	-55	0	0	0	0	110.6	N116 V117 K122 A123 D124	N116-T120 WeakPolarHBondContact O-CB 3.15Å; N116-T120 PolarHBondContact O-N 2.78Å; N116-T120 PolarHBondContact O-OG1 3.31Å; V117-T120 PolarHBondContact O-N 2.79Å; T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 3.01Å; T120-A123 WeakPolarHBondContact O-CB 3.39Å; T120-A123 PolarHBondContact O-N 2.87Å; T120-A123 VanDerWaalsContact O-N 3.15Å; T120-D124 WeakPolarHBondContact O-CB 3.43Å; T120-D124 VanDerWaalsContact O-CG 3.25Å; T120-D124 PolarHBondContact O-N 2.99Å
121	E	89.6	Confident	88.8	Confident	112 Å²	112	71.3 Å²	71.3	52%	0.523	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-39.9	177	-71.9	-177.2	172.2	0	0	112.3	V117 D124 K125	V117-E121 HydrophobicContact CG1-CG 4.27Å; V117-E121 WeakPolarHBondContact O-CG 3.4Å; V117-E121 PolarHBondContact O-N 3.49Å; E121-D124 PolarHBondContact O-N 2.82Å; E121-K125 WeakPolarHBondContact O-CG 3.5Å; E121-K125 PolarHBondContact O-N 3.31Å
122	K	87.9	Confident	89.2	Confident	31 Å²	31	73.1 Å²	73.1	14%	0.135	37%	0.368	C	S	.	.	H	α-helix	trans	-70	-39.4	176.7	-72.3	177.3	175.7	177.5	0	111.7	E118 T120 V126 D172 Y173 S176	E118-K122 HydrophobicContact CG-CD 4.26Å; E118-K122 WeakPolarHBondContact O-CB 3.37Å; E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 3.05Å; E118-K122 VanDerWaalsContact O-N 3.09Å; E118-K122 IonicContact OE1-NZ 3.68Å; E118-K122 PolarHBondContact OE1-NZ 2.8Å; T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 3.01Å; K122-V126 PolarHBondContact O-N 3.15Å; K122-D172 WeakPolarHBondContact CE-OD2 3.46Å; K122-D172 IonicContact NZ-OD1 3.68Å; K122-D172 PolarHBondContact NZ-OD1 3.24Å; K122-D172 IonicContact NZ-OD2 2.87Å; K122-Y173 HydrophobicContact CB-CD2 3.82Å; K122-S176 WeakPolarHBondContact CD-OG 3.36Å; K122-S176 WeakPolarHBondContact CE-OG 3.19Å; K122-S176 PolarHBondContact NZ-OG 3.35Å
123	A	87.8	Confident	89.6	Confident	26 Å²	26	71.9 Å²	71.9	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-43.6	172.9	0	0	0	0	0	111.6	L119 T120 K125 V126 L127 Y173	L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 3.33Å; T120-A123 WeakPolarHBondContact O-CB 3.39Å; T120-A123 PolarHBondContact O-N 2.87Å; T120-A123 VanDerWaalsContact O-N 3.15Å; A123-K125 PolarHBondContact O-N 3.34Å; A123-V126 WeakPolarHBondContact O-CB 2.8Å; A123-V126 PolarHBondContact O-N 3.48Å; A123-V126 VanDerWaalsContact O-N 3.15Å; A123-L127 WeakPolarHBondContact O-CG 3.36Å; A123-L127 PolarHBondContact O-N 2.79Å; A123-Y173 HydrophobicContact CB-CD2 4.27Å; A123-Y173 HydrophobicContact CB-CE2 3.73Å
124	D	91.7	Very high	89.9	Confident	79 Å²	79	67.5 Å²	67.5	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-40.3	179.6	-73	-15.8	0	0	0	111.4	T120 E121 V126 L127 M128	T120-D124 WeakPolarHBondContact O-CB 3.43Å; T120-D124 VanDerWaalsContact O-CG 3.25Å; T120-D124 PolarHBondContact O-N 2.99Å; E121-D124 PolarHBondContact O-N 2.82Å; D124-V126 VanDerWaalsContact C-N 3.31Å; D124-V126 PolarHBondContact O-N 3.21Å; D124-L127 PolarHBondContact O-N 3.11Å; D124-M128 WeakPolarHBondContact O-CB 3.45Å; D124-M128 VanDerWaalsContact O-CG 3.26Å; D124-M128 WeakPolarHBondContact O-CG 3.36Å; D124-M128 PolarHBondContact O-N 2.85Å
125	K	92.3	Very high	90.3	Very high	124 Å²	124	67.5 Å²	67.5	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-43.5	172.1	-81.3	175.5	-180	170.2	0	112.4	E121 A123 L129	E121-K125 WeakPolarHBondContact O-CG 3.5Å; E121-K125 PolarHBondContact O-N 3.31Å; A123-K125 PolarHBondContact O-N 3.34Å; K125-L129 WeakPolarHBondContact O-CG 3.46Å; K125-L129 PolarHBondContact O-N 2.96Å
126	V	91.9	Very high	90.9	Very high	15 Å²	15	66.8 Å²	66.8	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-42.2	176.9	172.5	0	0	0	0	110.8	K122 A123 D124 N130 A169 D170	K122-V126 PolarHBondContact O-N 3.15Å; A123-V126 WeakPolarHBondContact O-CB 2.8Å; A123-V126 PolarHBondContact O-N 3.48Å; A123-V126 VanDerWaalsContact O-N 3.15Å; D124-V126 VanDerWaalsContact C-N 3.31Å; D124-V126 PolarHBondContact O-N 3.21Å; V126-N130 WeakPolarHBondContact O-CB 3.41Å; V126-N130 PolarHBondContact O-N 3.04Å; V126-N130 PolarHBondContact O-ND2 3.13Å; V126-A169 HydrophobicContact CG2-CB 3.97Å; V126-D170 WeakPolarHBondContact CG1-OD1 3.48Å
127	L	92.6	Very high	91.3	Very high	98 Å²	98	65 Å²	65	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-46.7	176.8	-69.6	174.2	0	0	0	111.9	A123 D124 L129 N130 E131	A123-L127 WeakPolarHBondContact O-CG 3.36Å; A123-L127 PolarHBondContact O-N 2.79Å; D124-L127 PolarHBondContact O-N 3.11Å; L127-L129 PolarHBondContact O-N 3.38Å; L127-N130 WeakPolarHBondContact O-CB 3.24Å; L127-N130 PolarHBondContact O-N 3Å; L127-N130 VanDerWaalsContact O-N 3.15Å; L127-E131 PolarHBondContact O-N 3.47Å
128	M	94.3	Very high	91.6	Very high	97 Å²	97	64.3 Å²	64.3	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-58.6	-47	177.5	-73.3	-64.1	-59.2	0	0	112	D124 N130 E131 E132	D124-M128 WeakPolarHBondContact O-CB 3.45Å; D124-M128 VanDerWaalsContact O-CG 3.26Å; D124-M128 WeakPolarHBondContact O-CG 3.36Å; D124-M128 PolarHBondContact O-N 2.85Å; M128-N130 VanDerWaalsContact C-N 3.32Å; M128-N130 PolarHBondContact O-N 3.09Å; M128-E131 WeakPolarHBondContact O-CB 3.34Å; M128-E131 PolarHBondContact O-N 3.06Å; M128-E131 VanDerWaalsContact O-N 3.17Å; M128-E132 WeakPolarHBondContact O-CG 3.38Å; M128-E132 PolarHBondContact O-N 3.44Å
129	L	94.1	Very high	92.1	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-37.5	176.5	-71.9	168.9	0	0	0	111.9	K125 L127 E131 E132 I133 L162 Q165 K166 A169	K125-L129 WeakPolarHBondContact O-CG 3.46Å; K125-L129 PolarHBondContact O-N 2.96Å; L127-L129 PolarHBondContact O-N 3.38Å; L129-E131 VanDerWaalsContact C-N 3.35Å; L129-E132 PolarHBondContact O-N 2.95Å; L129-I133 WeakPolarHBondContact O-CB 3.13Å; L129-I133 WeakPolarHBondContact O-CD1 3.17Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; L129-I133 PolarHBondContact O-N 3.41Å; L129-L162 HydrophobicContact CD2-CD2 4.03Å; L129-Q165 HydrophobicContact CD1-CB 4.33Å; L129-Q165 HydrophobicContact CD2-CB 4.31Å; L129-K166 HydrophobicContact CB-CB 4.22Å; L129-K166 HydrophobicContact CD1-CB 4.34Å; L129-A169 HydrophobicContact CD1-CB 3.9Å
130	N	93.4	Very high	92.5	Very high	60 Å²	60	63.7 Å²	63.7	32%	0.321	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-40.7	173.5	-77.8	-52.7	0	0	0	112.1	V126 L127 M128 G134 K166	V126-N130 WeakPolarHBondContact O-CB 3.41Å; V126-N130 PolarHBondContact O-N 3.04Å; V126-N130 PolarHBondContact O-ND2 3.13Å; L127-N130 WeakPolarHBondContact O-CB 3.24Å; L127-N130 PolarHBondContact O-N 3Å; L127-N130 VanDerWaalsContact O-N 3.15Å; M128-N130 VanDerWaalsContact C-N 3.32Å; M128-N130 PolarHBondContact O-N 3.09Å; N130-G134 PolarHBondContact O-N 2.88Å; N130-K166 WeakPolarHBondContact OD1-CD 3.23Å; N130-K166 WeakPolarHBondContact OD1-CE 3.46Å; N130-K166 PolarHBondContact OD1-NZ 3.13Å
131	E	94.5	Very high	92.7	Very high	103 Å²	103	66.3 Å²	66.3	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-66.1	-43	175.9	-71.4	-173	-170.9	0	0	112.4	L127 M128 L129 G134 K135	L127-E131 PolarHBondContact O-N 3.47Å; M128-E131 WeakPolarHBondContact O-CB 3.34Å; M128-E131 PolarHBondContact O-N 3.06Å; M128-E131 VanDerWaalsContact O-N 3.17Å; L129-E131 VanDerWaalsContact C-N 3.35Å; E131-G134 PolarHBondContact O-N 3.19Å; E131-K135 WeakPolarHBondContact O-CG 3.42Å; E131-K135 PolarHBondContact O-N 3.43Å; E131-K135 IonicContact OE2-NZ 3.72Å
132	E	94.8	Very high	92.9	Very high	85 Å²	85	67 Å²	67	40%	0.397	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-44.8	177.1	-73.8	178.5	-179.1	0	0	111.6	M128 L129 G134 K135 A136 L162	M128-E132 WeakPolarHBondContact O-CG 3.38Å; M128-E132 PolarHBondContact O-N 3.44Å; L129-E132 PolarHBondContact O-N 2.95Å; E132-G134 VanDerWaalsContact C-N 3.31Å; E132-G134 PolarHBondContact O-N 3.33Å; E132-K135 PolarHBondContact O-N 3.08Å; E132-A136 VanDerWaalsContact O-CB 3.3Å; E132-A136 WeakPolarHBondContact O-CB 3.42Å; E132-A136 PolarHBondContact O-N 3.48Å; E132-L162 HydrophobicContact CB-CD1 4.17Å
133	I	94.6	Very high	93.2	Very high	15 Å²	15	66.5 Å²	66.5	8%	0.077	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-45.1	173.2	-70.1	164.3	0	0	0	110.4	L129 A136 L137 V159 L162 R163 K166	L129-I133 WeakPolarHBondContact O-CB 3.13Å; L129-I133 WeakPolarHBondContact O-CD1 3.17Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; L129-I133 PolarHBondContact O-N 3.41Å; I133-A136 PolarHBondContact O-N 3.31Å; I133-L137 HydrophobicContact CG2-CD1 3.72Å; I133-L137 HydrophobicContact CG2-CG 4.28Å; I133-L137 WeakPolarHBondContact O-CB 3.35Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.45Å; I133-L137 PolarHBondContact O-N 3.4Å; I133-V159 HydrophobicContact CG2-CG1 4.21Å; I133-L162 HydrophobicContact CD1-CB 4.21Å; I133-L162 HydrophobicContact CG1-CB 3.62Å; I133-L162 HydrophobicContact CG1-CD1 4.31Å; I133-R163 HydrophobicContact CD1-CG 4.02Å; I133-K166 HydrophobicContact CD1-CB 4.1Å; I133-K166 HydrophobicContact CD1-CD 4.03Å
134	G	93	Very high	93.4	Very high	38 Å²	38	67 Å²	67	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-44.2	178.3	0	0	0	0	0	113	N130 E131 E132 A138	N130-G134 PolarHBondContact O-N 2.88Å; E131-G134 PolarHBondContact O-N 3.19Å; E132-G134 VanDerWaalsContact C-N 3.31Å; E132-G134 PolarHBondContact O-N 3.33Å; G134-A138 WeakPolarHBondContact O-CB 3.39Å; G134-A138 PolarHBondContact O-N 2.84Å; G134-A138 VanDerWaalsContact O-N 3.11Å
135	K	94.9	Very high	93.3	Very high	131 Å²	131	71.4 Å²	71.4	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-65.5	-45.2	177	-71.8	168.3	-172.5	160.9	0	111.7	E131 E132 A138 Q139	E131-K135 WeakPolarHBondContact O-CG 3.42Å; E131-K135 PolarHBondContact O-N 3.43Å; E131-K135 IonicContact OE2-NZ 3.72Å; E132-K135 PolarHBondContact O-N 3.08Å; K135-A138 PolarHBondContact O-N 2.88Å; K135-Q139 WeakPolarHBondContact O-CB 3.3Å; K135-Q139 PolarHBondContact O-N 3Å
136	A	93.8	Very high	93.4	Very high	11 Å²	11	70.2 Å²	70.2	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-66.1	-40.2	179.9	0	0	0	0	0	112.1	E132 I133 Q139 A140 L155 V159	E132-A136 VanDerWaalsContact O-CB 3.3Å; E132-A136 WeakPolarHBondContact O-CB 3.42Å; E132-A136 PolarHBondContact O-N 3.48Å; I133-A136 PolarHBondContact O-N 3.31Å; A136-Q139 PolarHBondContact O-N 3.09Å; A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 3.02Å; A136-L155 HydrophobicContact CB-CD1 4.36Å; A136-L155 HydrophobicContact CB-CG 4.49Å; A136-L155 WeakPolarHBondContact O-CD2 3.33Å; A136-V159 HydrophobicContact CB-CG2 3.54Å
137	L	93.6	Very high	93.4	Very high	44 Å²	44	72 Å²	72	23%	0.23	39%	0.387	C	S	.	.	H	α-helix	trans	-62.1	-48.1	174.3	-77	171.5	0	0	0	112	I133 Q139 A140 E141 M156 V159	I133-L137 HydrophobicContact CG2-CD1 3.72Å; I133-L137 HydrophobicContact CG2-CG 4.28Å; I133-L137 WeakPolarHBondContact O-CB 3.35Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.45Å; I133-L137 PolarHBondContact O-N 3.4Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-N 3.22Å; L137-A140 PolarHBondContact O-N 3.36Å; L137-A140 VanDerWaalsContact O-N 3.12Å; L137-E141 WeakPolarHBondContact O-CG 3.49Å; L137-E141 PolarHBondContact O-N 3.37Å; L137-M156 HydrophobicContact CD2-CE 4.4Å; L137-M156 HydrophobicContact CD2-SD 3.99Å; L137-V159 HydrophobicContact CD2-CG1 3.91Å; L137-V159 HydrophobicContact CD2-CG2 4.22Å; L137-V159 HydrophobicContact CG-CG1 4.09Å; L137-V159 HydrophobicContact CG-CG2 4.2Å
138	A	93.8	Very high	93.3	Very high	55 Å²	55	71.5 Å²	71.5	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-60.8	-37.3	178.3	0	0	0	0	0	112.3	G134 K135 K142	G134-A138 WeakPolarHBondContact O-CB 3.39Å; G134-A138 PolarHBondContact O-N 2.84Å; G134-A138 VanDerWaalsContact O-N 3.11Å; K135-A138 PolarHBondContact O-N 2.88Å; A138-K142 PolarHBondContact O-N 3.29Å
139	Q	93.7	Very high	93.1	Very high	114 Å²	114	71 Å²	71	53%	0.533	38%	0.383	S	S	.	.	H	α-helix	trans	-72	-36.3	175.5	-179.5	177	-8.8	0	0	112.1	K135 A136 L137 K142 L143 L155	K135-Q139 WeakPolarHBondContact O-CB 3.3Å; K135-Q139 PolarHBondContact O-N 3Å; A136-Q139 PolarHBondContact O-N 3.09Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-N 3.22Å; Q139-K142 PolarHBondContact O-N 3.16Å; Q139-L143 HydrophobicContact CG-CD1 4.18Å; Q139-L143 WeakPolarHBondContact O-CG 3.26Å; Q139-L143 PolarHBondContact O-N 2.84Å; Q139-L155 HydrophobicContact CB-CD2 3.72Å; Q139-L155 HydrophobicContact CG-CD2 3.59Å
140	A	93.5	Very high	92.9	Very high	3 Å²	3	76.6 Å²	76.6	3%	0.025	41%	0.409	C	S	.	.	H	α-helix	trans	-65.9	-40.2	177.1	0	0	0	0	0	111.7	A136 L137 L143 G144 S152 L155 M156	A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 3.02Å; L137-A140 PolarHBondContact O-N 3.36Å; L137-A140 VanDerWaalsContact O-N 3.12Å; A140-L143 PolarHBondContact O-N 3.14Å; A140-G144 PolarHBondContact O-N 3.42Å; A140-S152 PolarHBondContact O-OG 2.88Å; A140-L155 HydrophobicContact CB-CB 4.27Å; A140-L155 HydrophobicContact CB-CD2 3.9Å; A140-L155 HydrophobicContact CB-CG 4.21Å; A140-M156 HydrophobicContact CB-CG 4.24Å; A140-M156 HydrophobicContact CB-SD 4.03Å
141	E	91.4	Very high	92.8	Very high	131 Å²	131	78.5 Å²	78.5	61%	0.612	42%	0.415	S	S	*	.	H	α-helix	trans	-60.6	-49.7	173.5	-73.4	174.9	176.8	0	0	111.1	L137 L143 G144 E145	L137-E141 WeakPolarHBondContact O-CG 3.49Å; L137-E141 PolarHBondContact O-N 3.37Å; E141-L143 PolarHBondContact O-N 3.26Å; E141-G144 WeakPolarHBondContact O-CA 3.49Å; E141-G144 PolarHBondContact O-N 3.04Å; E141-G144 VanDerWaalsContact O-N 3.08Å; E141-E145 PolarHBondContact O-N 2.67Å
142	K	94	Very high	92.7	Very high	126 Å²	126	74.5 Å²	74.5	55%	0.548	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.2	-174.4	180	172.7	-176.2	0	112.9	A138 Q139 G144 E145 E146	A138-K142 PolarHBondContact O-N 3.29Å; Q139-K142 PolarHBondContact O-N 3.16Å; K142-G144 VanDerWaalsContact C-N 3.27Å; K142-G144 PolarHBondContact O-N 2.7Å; K142-E145 PolarHBondContact O-N 3.32Å; K142-E146 WeakPolarHBondContact CE-OE1 3.24Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 2.97Å; K142-E146 VanDerWaalsContact O-N 3.07Å
143	L	93.2	Very high	92.5	Very high	21 Å²	21	75.6 Å²	75.6	11%	0.11	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-33.3	176.1	-71	170.2	0	0	0	112	Q139 A140 E141 E146 G147 K148 E151 L155	Q139-L143 HydrophobicContact CG-CD1 4.18Å; Q139-L143 WeakPolarHBondContact O-CG 3.26Å; Q139-L143 PolarHBondContact O-N 2.84Å; A140-L143 PolarHBondContact O-N 3.14Å; E141-L143 PolarHBondContact O-N 3.26Å; L143-E146 PolarHBondContact O-N 3.33Å; L143-G147 PolarHBondContact O-N 3.24Å; L143-K148 HydrophobicContact CD2-CB 4.46Å; L143-K148 HydrophobicContact CD2-CD 3.84Å; L143-K148 PolarHBondContact O-N 2.89Å; L143-E151 HydrophobicContact CD1-CB 4.19Å; L143-L155 HydrophobicContact CD1-CD2 4.26Å
144	G	91.7	Very high	92.3	Very high	37 Å²	37	81.3 Å²	81.3	38%	0.381	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-43	172.9	0	0	0	0	0	112.6	A140 E141 K142 E146 G147	A140-G144 PolarHBondContact O-N 3.42Å; E141-G144 WeakPolarHBondContact O-CA 3.49Å; E141-G144 PolarHBondContact O-N 3.04Å; E141-G144 VanDerWaalsContact O-N 3.08Å; K142-G144 VanDerWaalsContact C-N 3.27Å; K142-G144 PolarHBondContact O-N 2.7Å; G144-E146 VanDerWaalsContact C-N 3.33Å; G144-E146 PolarHBondContact O-N 2.98Å; G144-G147 PolarHBondContact O-N 2.96Å; G144-G147 VanDerWaalsContact O-N 3.14Å
145	E	91	Very high	92.3	Very high	171 Å²	171	80.3 Å²	80.3	80%	0.799	42%	0.419	S	S	*	.	H	α-helix	trans	-63.6	-36.4	174	-69.1	-178.6	170	0	0	112.6	E141 K142 G147	E141-E145 PolarHBondContact O-N 2.67Å; K142-E145 PolarHBondContact O-N 3.32Å; E145-G147 PolarHBondContact O-N 3.48Å
146	E	94	Very high	92.1	Very high	98 Å²	98	77.2 Å²	77.2	46%	0.458	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.6	175.5	-70.7	178.4	-166.7	0	0	113.4	K142 L143 G144 K148	K142-E146 WeakPolarHBondContact CE-OE1 3.24Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 2.97Å; K142-E146 VanDerWaalsContact O-N 3.07Å; L143-E146 PolarHBondContact O-N 3.33Å; G144-E146 VanDerWaalsContact C-N 3.33Å; G144-E146 PolarHBondContact O-N 2.98Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 HydrophobicContact CB-CG 4.5Å; E146-K148 PolarHBondContact O-N 3.47Å; E146-K148 IonicContact OE2-NZ 2.78Å; E146-K148 PolarHBondContact OE2-NZ 2.89Å
147	G	90.9	Very high	92.1	Very high	53 Å²	53	78.6 Å²	78.6	55%	0.546	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	9.4	-178.8	0	0	0	0	0	114.7	L143 G144 E145 V149	L143-G147 PolarHBondContact O-N 3.24Å; G144-G147 PolarHBondContact O-N 2.96Å; G144-G147 VanDerWaalsContact O-N 3.14Å; E145-G147 PolarHBondContact O-N 3.48Å; G147-V149 PolarHBondContact O-N 2.69Å
148	K	91.9	Very high	92	Very high	88 Å²	88	82.1 Å²	82.1	38%	0.383	44%	0.438	S	S	.	.			trans	-84.1	66	176.7	-63.6	178	-174.1	151.3	0	110.7	L143 E146 E150 E151 S152	L143-K148 HydrophobicContact CD2-CB 4.46Å; L143-K148 HydrophobicContact CD2-CD 3.84Å; L143-K148 PolarHBondContact O-N 2.89Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 HydrophobicContact CB-CG 4.5Å; E146-K148 PolarHBondContact O-N 3.47Å; E146-K148 IonicContact OE2-NZ 2.78Å; E146-K148 PolarHBondContact OE2-NZ 2.89Å; K148-E150 PolarHBondContact O-N 3.49Å; K148-E151 HydrophobicContact CB-CB 4.33Å; K148-E151 WeakPolarHBondContact CD-OE2 3.34Å; K148-E151 PolarHBondContact O-N 2.88Å; K148-S152 PolarHBondContact O-N 3.28Å
149	V	88.4	Confident	92	Very high	86 Å²	86	79.5 Å²	79.5	52%	0.521	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-44.4	-172.6	-178.7	0	0	0	0	112.3	G147 E151 S152 L153	G147-V149 PolarHBondContact O-N 2.69Å; V149-E151 PolarHBondContact O-N 3.43Å; V149-S152 PolarHBondContact O-N 3.31Å; V149-L153 HydrophobicContact CG1-CD1 4.02Å; V149-L153 HydrophobicContact CG1-CG 4.3Å; V149-L153 WeakPolarHBondContact O-CG 3.48Å; V149-L153 PolarHBondContact O-N 3.1Å
150	E	91.3	Very high	92.1	Very high	139 Å²	139	78.3 Å²	78.3	65%	0.65	41%	0.414	S	S	*	.	H	α-helix	trans	-61.7	-44.3	-179.2	-64.8	-63.6	159	0	0	112.6	K148 L153 Q154	K148-E150 PolarHBondContact O-N 3.49Å; E150-L153 PolarHBondContact O-N 3.02Å; E150-Q154 WeakPolarHBondContact O-CG 3.37Å; E150-Q154 PolarHBondContact O-N 3.02Å
151	E	90.7	Very high	92.1	Very high	100 Å²	100	82.6 Å²	82.6	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-67.5	-38.9	177.4	-65.9	179.4	-165.8	0	0	111.5	L143 K148 V149 Q154 L155	L143-E151 HydrophobicContact CD1-CB 4.19Å; K148-E151 HydrophobicContact CB-CB 4.33Å; K148-E151 WeakPolarHBondContact CD-OE2 3.34Å; K148-E151 PolarHBondContact O-N 2.88Å; V149-E151 PolarHBondContact O-N 3.43Å; E151-Q154 PolarHBondContact O-N 2.75Å; E151-L155 PolarHBondContact O-N 3.16Å
152	S	91.5	Very high	92.3	Very high	19 Å²	19	77.7 Å²	77.7	13%	0.133	41%	0.411	C	S	.	.	H	α-helix	trans	-61.9	-43.7	175	-176.1	0	0	0	0	111.5	A140 K148 V149 L155 M156	A140-S152 PolarHBondContact O-OG 2.88Å; K148-S152 PolarHBondContact O-N 3.28Å; V149-S152 PolarHBondContact O-N 3.31Å; S152-L155 PolarHBondContact O-N 2.98Å; S152-M156 WeakPolarHBondContact O-CG 3.37Å; S152-M156 PolarHBondContact O-N 2.79Å
153	L	91.2	Very high	92.3	Very high	107 Å²	107	77.2 Å²	77.2	56%	0.56	41%	0.406	S	S	*	.	H	α-helix	trans	-64.9	-39.7	176.9	-72.3	174.5	0	0	0	112.7	V149 E150 L155 M156 G157	V149-L153 HydrophobicContact CG1-CD1 4.02Å; V149-L153 HydrophobicContact CG1-CG 4.3Å; V149-L153 WeakPolarHBondContact O-CG 3.48Å; V149-L153 PolarHBondContact O-N 3.1Å; E150-L153 PolarHBondContact O-N 3.02Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.29Å; L153-M156 PolarHBondContact O-N 3.43Å; L153-G157 PolarHBondContact O-N 2.99Å
154	Q	91.7	Very high	92.4	Very high	135 Å²	135	81.4 Å²	81.4	63%	0.631	42%	0.423	S	S	*	.	H	α-helix	trans	-61.5	-42.6	174.4	-72.8	176.7	13.2	0	0	111.6	E150 E151 G157 Q158	E150-Q154 WeakPolarHBondContact O-CG 3.37Å; E150-Q154 PolarHBondContact O-N 3.02Å; E151-Q154 PolarHBondContact O-N 2.75Å; Q154-G157 PolarHBondContact O-N 3.26Å; Q154-Q158 PolarHBondContact O-N 3.27Å; Q154-Q158 VanDerWaalsContact O-N 3.16Å
155	L	91.2	Very high	92.5	Very high	18 Å²	18	83.6 Å²	83.6	9%	0.094	42%	0.423	C	S	.	.	H	α-helix	trans	-68.4	-36.5	178.2	-165.7	61.4	0	0	0	112	A136 Q139 A140 L143 E151 S152 L153 G157 Q158 V159	A136-L155 HydrophobicContact CB-CD1 4.36Å; A136-L155 HydrophobicContact CB-CG 4.49Å; A136-L155 WeakPolarHBondContact O-CD2 3.33Å; Q139-L155 HydrophobicContact CB-CD2 3.72Å; Q139-L155 HydrophobicContact CG-CD2 3.59Å; A140-L155 HydrophobicContact CB-CB 4.27Å; A140-L155 HydrophobicContact CB-CD2 3.9Å; A140-L155 HydrophobicContact CB-CG 4.21Å; L143-L155 HydrophobicContact CD1-CD2 4.26Å; E151-L155 PolarHBondContact O-N 3.16Å; S152-L155 PolarHBondContact O-N 2.98Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.29Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-G157 PolarHBondContact O-N 2.82Å; L155-Q158 WeakPolarHBondContact O-CB 3.49Å; L155-Q158 PolarHBondContact O-N 3.02Å; L155-Q158 VanDerWaalsContact O-N 3.13Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 3.37Å
156	M	91.7	Very high	92.6	Very high	65 Å²	65	78.2 Å²	78.2	32%	0.32	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-38.8	171.1	-73.8	-61.2	-63.4	0	0	112.2	L137 A140 S152 L153 Q158 V159 D160	L137-M156 HydrophobicContact CD2-CE 4.4Å; L137-M156 HydrophobicContact CD2-SD 3.99Å; A140-M156 HydrophobicContact CB-CG 4.24Å; A140-M156 HydrophobicContact CB-SD 4.03Å; S152-M156 WeakPolarHBondContact O-CG 3.37Å; S152-M156 PolarHBondContact O-N 2.79Å; L153-M156 PolarHBondContact O-N 3.43Å; M156-Q158 VanDerWaalsContact C-N 3.3Å; M156-Q158 PolarHBondContact O-N 3.16Å; M156-V159 WeakPolarHBondContact O-CB 3.34Å; M156-V159 PolarHBondContact O-N 3.3Å; M156-V159 VanDerWaalsContact O-N 3.17Å; M156-D160 PolarHBondContact O-N 3.36Å
157	G	93	Very high	92.6	Very high	41 Å²	41	79.6 Å²	79.6	42%	0.423	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-37.2	172.1	0	0	0	0	0	113.1	L153 Q154 L155 D160 E161	L153-G157 PolarHBondContact O-N 2.99Å; Q154-G157 PolarHBondContact O-N 3.26Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-G157 PolarHBondContact O-N 2.82Å; G157-D160 PolarHBondContact O-N 2.93Å; G157-E161 PolarHBondContact O-N 3.34Å
158	Q	92.4	Very high	92.7	Very high	117 Å²	117	82.5 Å²	82.5	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-39.1	172.9	-64.6	178.7	5.7	0	0	112	Q154 L155 M156 D160 E161 L162	Q154-Q158 PolarHBondContact O-N 3.27Å; Q154-Q158 VanDerWaalsContact O-N 3.16Å; L155-Q158 WeakPolarHBondContact O-CB 3.49Å; L155-Q158 PolarHBondContact O-N 3.02Å; L155-Q158 VanDerWaalsContact O-N 3.13Å; M156-Q158 VanDerWaalsContact C-N 3.3Å; M156-Q158 PolarHBondContact O-N 3.16Å; Q158-D160 VanDerWaalsContact C-N 3.31Å; Q158-D160 PolarHBondContact O-N 3.46Å; Q158-E161 PolarHBondContact O-N 3.13Å; Q158-L162 WeakPolarHBondContact O-CG 3.23Å; Q158-L162 PolarHBondContact O-N 2.95Å
159	V	94.5	Very high	92.7	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-60.5	-41	174.8	170	0	0	0	0	111.4	I133 A136 L137 L155 M156 E161 L162 R163	I133-V159 HydrophobicContact CG2-CG1 4.21Å; A136-V159 HydrophobicContact CB-CG2 3.54Å; L137-V159 HydrophobicContact CD2-CG1 3.91Å; L137-V159 HydrophobicContact CD2-CG2 4.22Å; L137-V159 HydrophobicContact CG-CG1 4.09Å; L137-V159 HydrophobicContact CG-CG2 4.2Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 3.37Å; M156-V159 WeakPolarHBondContact O-CB 3.34Å; M156-V159 PolarHBondContact O-N 3.3Å; M156-V159 VanDerWaalsContact O-N 3.17Å; V159-E161 VanDerWaalsContact C-N 3.34Å; V159-L162 PolarHBondContact O-N 2.91Å; V159-R163 HydrophobicContact CG1-CG 4.35Å; V159-R163 WeakPolarHBondContact O-CB 3.34Å; V159-R163 VanDerWaalsContact O-CG 3.27Å; V159-R163 WeakPolarHBondContact O-CG 3.28Å; V159-R163 PolarHBondContact O-N 3.44Å
160	D	94.2	Very high	92.8	Very high	89 Å²	89	77.4 Å²	77.4	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-65.4	-37.7	178	-73.9	-25.5	0	0	0	112.2	M156 G157 Q158 R163 K164	M156-D160 PolarHBondContact O-N 3.36Å; G157-D160 PolarHBondContact O-N 2.93Å; Q158-D160 VanDerWaalsContact C-N 3.31Å; Q158-D160 PolarHBondContact O-N 3.46Å; D160-R163 PolarHBondContact O-N 2.87Å; D160-R163 IonicContact OD1-NH1 3.67Å; D160-K164 PolarHBondContact O-N 3.44Å; D160-K164 VanDerWaalsContact O-N 3.08Å
161	E	94.4	Very high	92.8	Very high	93 Å²	93	74.9 Å²	74.9	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-44	172.5	-174.4	57.1	-149.8	0	0	111.8	G157 Q158 V159 R163 K164 Q165	G157-E161 PolarHBondContact O-N 3.34Å; Q158-E161 PolarHBondContact O-N 3.13Å; V159-E161 VanDerWaalsContact C-N 3.34Å; E161-R163 VanDerWaalsContact C-N 3.28Å; E161-R163 PolarHBondContact O-N 2.81Å; E161-K164 WeakPolarHBondContact O-CB 3.31Å; E161-K164 PolarHBondContact O-N 3.45Å; E161-K164 VanDerWaalsContact O-N 3.13Å; E161-Q165 WeakPolarHBondContact O-CG 3.32Å; E161-Q165 PolarHBondContact O-N 3.25Å
162	L	94.8	Very high	92.7	Very high	28 Å²	28	73.4 Å²	73.4	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-37	174.4	-72	172.8	0	0	0	112	L129 E132 I133 Q158 V159 K164 Q165 K166	L129-L162 HydrophobicContact CD2-CD2 4.03Å; E132-L162 HydrophobicContact CB-CD1 4.17Å; I133-L162 HydrophobicContact CD1-CB 4.21Å; I133-L162 HydrophobicContact CG1-CB 3.62Å; I133-L162 HydrophobicContact CG1-CD1 4.31Å; Q158-L162 WeakPolarHBondContact O-CG 3.23Å; Q158-L162 PolarHBondContact O-N 2.95Å; V159-L162 PolarHBondContact O-N 2.91Å; L162-K164 VanDerWaalsContact C-N 3.34Å; L162-Q165 PolarHBondContact O-N 3.07Å; L162-K166 WeakPolarHBondContact O-CB 3.21Å; L162-K166 PolarHBondContact O-N 3.47Å
163	R	94.3	Very high	92.4	Very high	117 Å²	117	75.6 Å²	75.6	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-39.1	174.9	-77.8	171.6	174.8	-175.6	-1.3	112	I133 V159 D160 E161 K166 Q167	I133-R163 HydrophobicContact CD1-CG 4.02Å; V159-R163 HydrophobicContact CG1-CG 4.35Å; V159-R163 WeakPolarHBondContact O-CB 3.34Å; V159-R163 VanDerWaalsContact O-CG 3.27Å; V159-R163 WeakPolarHBondContact O-CG 3.28Å; V159-R163 PolarHBondContact O-N 3.44Å; D160-R163 PolarHBondContact O-N 2.87Å; D160-R163 IonicContact OD1-NH1 3.67Å; E161-R163 VanDerWaalsContact C-N 3.28Å; E161-R163 PolarHBondContact O-N 2.81Å; R163-K166 PolarHBondContact O-N 2.85Å; R163-Q167 PolarHBondContact O-N 2.83Å
164	K	95.1	Very high	92	Very high	109 Å²	109	79.3 Å²	79.3	47%	0.474	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-46.1	174.8	-173.1	-173.9	170.7	-163.8	0	111	D160 E161 L162 K166 Q167 E168	D160-K164 PolarHBondContact O-N 3.44Å; D160-K164 VanDerWaalsContact O-N 3.08Å; E161-K164 WeakPolarHBondContact O-CB 3.31Å; E161-K164 PolarHBondContact O-N 3.45Å; E161-K164 VanDerWaalsContact O-N 3.13Å; L162-K164 VanDerWaalsContact C-N 3.34Å; K164-K166 VanDerWaalsContact C-N 3.31Å; K164-K166 PolarHBondContact O-N 3.06Å; K164-Q167 WeakPolarHBondContact O-CB 3.4Å; K164-Q167 PolarHBondContact O-N 3.12Å; K164-Q167 VanDerWaalsContact O-N 3.16Å; K164-E168 PolarHBondContact O-N 3.11Å
165	Q	94.3	Very high	91.7	Very high	82 Å²	82	78.7 Å²	78.7	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-40.5	174.8	-68.3	178.1	14.4	0	0	111.9	L129 E161 L162 Q167 E168 A169	L129-Q165 HydrophobicContact CD1-CB 4.33Å; L129-Q165 HydrophobicContact CD2-CB 4.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.32Å; E161-Q165 PolarHBondContact O-N 3.25Å; L162-Q165 PolarHBondContact O-N 3.07Å; Q165-Q167 PolarHBondContact O-N 3.23Å; Q165-E168 PolarHBondContact O-N 2.75Å; Q165-A169 WeakPolarHBondContact O-CB 3.47Å; Q165-A169 PolarHBondContact O-N 3.38Å
166	K	93.1	Very high	91.1	Very high	59 Å²	59	79.2 Å²	79.2	26%	0.257	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-45.6	173.7	-177.3	-161.3	162.5	172.4	0	111.1	L129 N130 I133 L162 R163 K164 E168 A169 D170	L129-K166 HydrophobicContact CB-CB 4.22Å; L129-K166 HydrophobicContact CD1-CB 4.34Å; N130-K166 WeakPolarHBondContact OD1-CD 3.23Å; N130-K166 WeakPolarHBondContact OD1-CE 3.46Å; N130-K166 PolarHBondContact OD1-NZ 3.13Å; I133-K166 HydrophobicContact CD1-CB 4.1Å; I133-K166 HydrophobicContact CD1-CD 4.03Å; L162-K166 WeakPolarHBondContact O-CB 3.21Å; L162-K166 PolarHBondContact O-N 3.47Å; R163-K166 PolarHBondContact O-N 2.85Å; K164-K166 VanDerWaalsContact C-N 3.31Å; K164-K166 PolarHBondContact O-N 3.06Å; K166-E168 VanDerWaalsContact C-N 3.3Å; K166-E168 PolarHBondContact O-N 2.77Å; K166-A169 PolarHBondContact O-N 2.86Å; K166-D170 WeakPolarHBondContact CE-OD2 3.31Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 3.48Å
167	Q	93.6	Very high	90.4	Very high	127 Å²	127	80.7 Å²	80.7	59%	0.593	39%	0.391	S	S	*	.	H	α-helix	trans	-61.1	-40.6	178.5	-176.3	178.5	-9.5	0	0	111.6	R163 K164 Q165 L171	R163-Q167 PolarHBondContact O-N 2.83Å; K164-Q167 WeakPolarHBondContact O-CB 3.4Å; K164-Q167 PolarHBondContact O-N 3.12Å; K164-Q167 VanDerWaalsContact O-N 3.16Å; Q165-Q167 PolarHBondContact O-N 3.23Å; Q167-L171 HydrophobicContact CG-CD1 4.45Å; Q167-L171 WeakPolarHBondContact O-CB 3.24Å; Q167-L171 VanDerWaalsContact O-CG 3.25Å; Q167-L171 WeakPolarHBondContact O-CG 3.34Å; Q167-L171 PolarHBondContact O-N 3.45Å
168	E	93.9	Very high	89.4	Confident	114 Å²	114	81 Å²	81	53%	0.533	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-44	174.2	-69.9	176.2	-170.1	0	0	111.7	K164 Q165 K166 L171 D172	K164-E168 PolarHBondContact O-N 3.11Å; Q165-E168 PolarHBondContact O-N 2.75Å; K166-E168 VanDerWaalsContact C-N 3.3Å; K166-E168 PolarHBondContact O-N 2.77Å; E168-L171 PolarHBondContact O-N 2.97Å; E168-D172 PolarHBondContact O-N 3.39Å
169	A	91.9	Very high	88.3	Confident	17 Å²	17	79 Å²	79	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-39.8	176.1	0	0	0	0	0	112.9	V126 L129 Q165 K166 L171 D172 Y173	V126-A169 HydrophobicContact CG2-CB 3.97Å; L129-A169 HydrophobicContact CD1-CB 3.9Å; Q165-A169 WeakPolarHBondContact O-CB 3.47Å; Q165-A169 PolarHBondContact O-N 3.38Å; K166-A169 PolarHBondContact O-N 2.86Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-D172 PolarHBondContact O-N 3.46Å; A169-Y173 WeakPolarHBondContact O-CB 3.27Å; A169-Y173 PolarHBondContact O-N 3.47Å
170	D	90.3	Very high	87.3	Confident	50 Å²	50	82.4 Å²	82.4	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-39.7	175.1	-90.8	-37.8	0	0	0	111.3	V126 K166 R174	V126-D170 WeakPolarHBondContact CG1-OD1 3.48Å; K166-D170 WeakPolarHBondContact CE-OD2 3.31Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 3.48Å; D170-R174 WeakPolarHBondContact O-CB 3.22Å; D170-R174 VanDerWaalsContact O-CG 3.28Å; D170-R174 WeakPolarHBondContact O-CG 3.45Å; D170-R174 PolarHBondContact O-N 3.17Å
171	L	90.5	Very high	86.2	Confident	86 Å²	86	79.8 Å²	79.8	45%	0.45	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-43.7	174.8	-73.8	171.5	0	0	0	111.3	Q167 E168 A169 R174 N175	Q167-L171 HydrophobicContact CG-CD1 4.45Å; Q167-L171 WeakPolarHBondContact O-CB 3.24Å; Q167-L171 VanDerWaalsContact O-CG 3.25Å; Q167-L171 WeakPolarHBondContact O-CG 3.34Å; Q167-L171 PolarHBondContact O-N 3.45Å; E168-L171 PolarHBondContact O-N 2.97Å; A169-L171 VanDerWaalsContact C-N 3.35Å; L171-R174 PolarHBondContact O-N 3.02Å; L171-N175 WeakPolarHBondContact O-CB 3.47Å; L171-N175 PolarHBondContact O-N 3.35Å; L171-N175 PolarHBondContact O-ND2 3.44Å
172	D	88	Confident	85.2	Confident	68 Å²	68	81 Å²	81	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-62.7	-47.2	175.8	-174.6	30.9	0	0	0	111.4	K122 E168 A169 R174 N175 S176	K122-D172 WeakPolarHBondContact CE-OD2 3.46Å; K122-D172 IonicContact NZ-OD1 3.68Å; K122-D172 PolarHBondContact NZ-OD1 3.24Å; K122-D172 IonicContact NZ-OD2 2.87Å; E168-D172 PolarHBondContact O-N 3.39Å; A169-D172 PolarHBondContact O-N 3.46Å; D172-R174 VanDerWaalsContact C-N 3.32Å; D172-R174 PolarHBondContact O-N 3.43Å; D172-N175 PolarHBondContact O-N 2.96Å; D172-S176 VanDerWaalsContact O-CB 3.31Å; D172-S176 WeakPolarHBondContact O-CB 3.25Å; D172-S176 PolarHBondContact O-N 2.92Å; D172-S176 PolarHBondContact O-OG 2.74Å; D172-S176 PolarHBondContact OD1-OG 2.52Å
173	Y	86.1	Confident	84.3	Confident	65 Å²	65	86 Å²	86	26%	0.255	43%	0.426	S	S	.	.	H	α-helix	trans	-55	-46.2	174.5	177.4	-104.6	0	0	0	112	L119 K122 A123 A169 S176 M177	L119-Y173 HydrophobicContact CD1-CD2 3.94Å; L119-Y173 HydrophobicContact CD1-CE2 3.29Å; L119-Y173 HydrophobicContact CG-CE2 4.03Å; K122-Y173 HydrophobicContact CB-CD2 3.82Å; A123-Y173 HydrophobicContact CB-CD2 4.27Å; A123-Y173 HydrophobicContact CB-CE2 3.73Å; A169-Y173 WeakPolarHBondContact O-CB 3.27Å; A169-Y173 PolarHBondContact O-N 3.47Å; Y173-S176 PolarHBondContact O-N 2.91Å; Y173-M177 HydrophobicContact CE1-CE 4.43Å; Y173-M177 PolarHBondContact O-N 3.19Å
174	R	83.5	Confident	83.4	Confident	186 Å²	186	84.8 Å²	84.8	70%	0.702	43%	0.425	S	S	*	.	H	α-helix	trans	-64.6	-43.6	176.5	-77.1	177.7	175.9	-169.3	0.6	113	D170 L171 D172 S176 M177	D170-R174 WeakPolarHBondContact O-CB 3.22Å; D170-R174 VanDerWaalsContact O-CG 3.28Å; D170-R174 WeakPolarHBondContact O-CG 3.45Å; D170-R174 PolarHBondContact O-N 3.17Å; L171-R174 PolarHBondContact O-N 3.02Å; D172-R174 VanDerWaalsContact C-N 3.32Å; D172-R174 PolarHBondContact O-N 3.43Å; R174-S176 PolarHBondContact O-N 3.48Å; R174-M177 PolarHBondContact O-N 3.49Å
175	N	84.4	Confident	82.5	Confident	121 Å²	121	81.5 Å²	81.5	65%	0.647	41%	0.411	S	S	*	.	H	α-helix	trans	-67.5	-26	179.2	-71.8	-23.5	0	0	0	112.5	L171 D172 M177 P178	L171-N175 WeakPolarHBondContact O-CB 3.47Å; L171-N175 PolarHBondContact O-N 3.35Å; L171-N175 PolarHBondContact O-ND2 3.44Å; D172-N175 PolarHBondContact O-N 2.96Å; N175-M177 VanDerWaalsContact C-N 3.26Å; N175-P178 WeakPolarHBondContact O-CD 3.31Å
176	S	79.1	Confident	82.1	Confident	29 Å²	29	80.4 Å²	80.4	20%	0.203	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.2	177.8	-52.6	0	0	0	0	113.5	K122 D172 Y173 R174 P178	K122-S176 WeakPolarHBondContact CD-OG 3.36Å; K122-S176 WeakPolarHBondContact CE-OG 3.19Å; K122-S176 PolarHBondContact NZ-OG 3.35Å; D172-S176 VanDerWaalsContact O-CB 3.31Å; D172-S176 WeakPolarHBondContact O-CB 3.25Å; D172-S176 PolarHBondContact O-N 2.92Å; D172-S176 PolarHBondContact O-OG 2.74Å; D172-S176 PolarHBondContact OD1-OG 2.52Å; Y173-S176 PolarHBondContact O-N 2.91Å; R174-S176 PolarHBondContact O-N 3.48Å; S176-P178 WeakPolarHBondContact O-CD 3.32Å
177	M	77.2	Confident	82	Confident	96 Å²	96	80.1 Å²	80.1	47%	0.473	41%	0.406	S	S	.	.	S	Bend	trans	-101	54.4	164.9	-72.1	-135.6	-71.8	0	0	112.3	L119 Y173 R174 N175	L119-M177 HydrophobicContact CD1-CG 3.46Å; L119-M177 VanDerWaalsContact CD1-CG 3.46Å; L119-M177 HydrophobicContact CD1-SD 3.88Å; L119-M177 HydrophobicContact CD2-SD 4.14Å; Y173-M177 HydrophobicContact CE1-CE 4.43Å; Y173-M177 PolarHBondContact O-N 3.19Å; R174-M177 PolarHBondContact O-N 3.49Å; N175-M177 VanDerWaalsContact C-N 3.26Å
178	P	71	Confident	81.9	Confident	48 Å²	48	79.5 Å²	79.5	31%	0.312	40%	0.399	S	S	.	.			trans	-69.7	148.8	173	33	-32.3	0	0	0	109.3	N175 S176 S180 S181 Y182	N175-P178 WeakPolarHBondContact O-CD 3.31Å; S176-P178 WeakPolarHBondContact O-CD 3.32Å; P178-S180 PolarHBondContact O-N 3.32Å; P178-S180 VanDerWaalsContact O-N 3.08Å; P178-S181 VanDerWaalsContact CG-OG 3.28Å; P178-S181 WeakPolarHBondContact CG-OG 3.5Å; P178-S181 PolarHBondContact O-N 2.74Å; P178-Y182 PolarHBondContact O-N 3.21Å
179	A	70.9	Confident	81.8	Confident	75 Å²	75	74.7 Å²	74.7	62%	0.62	38%	0.377	S	S	*	.	H	α-helix	trans	-56.2	-30.1	-178.9	0	0	0	0	0	113.2	Q183	A179-Q183 VanDerWaalsContact O-CG 3.3Å; A179-Q183 WeakPolarHBondContact O-CG 3.49Å; A179-Q183 PolarHBondContact O-N 2.85Å; A179-Q183 VanDerWaalsContact O-N 3.12Å
180	S	72.3	Confident	81.9	Confident	72 Å²	72	74.4 Å²	74.4	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-42.2	177.2	52.7	0	0	0	0	113	P178 Q183 Q184	P178-S180 PolarHBondContact O-N 3.32Å; P178-S180 VanDerWaalsContact O-N 3.08Å; S180-Q183 WeakPolarHBondContact O-CB 3.42Å; S180-Q183 PolarHBondContact O-N 3.23Å; S180-Q184 PolarHBondContact O-N 3.29Å
181	S	71.7	Confident	81.9	Confident	34 Å²	34	78.4 Å²	78.4	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-47.3	176.8	-73.7	0	0	0	0	109.9	M115 P178 Q183 Q184 Q185	M115-S181 WeakPolarHBondContact CE-O 3.49Å; P178-S181 VanDerWaalsContact CG-OG 3.28Å; P178-S181 WeakPolarHBondContact CG-OG 3.5Å; P178-S181 PolarHBondContact O-N 2.74Å; S181-Q183 PolarHBondContact O-N 3.31Å; S181-Q183 VanDerWaalsContact O-N 3.15Å; S181-Q184 WeakPolarHBondContact O-CB 3.42Å; S181-Q184 PolarHBondContact O-N 3Å; S181-Q185 PolarHBondContact O-N 3.37Å
182	Y	72.9	Confident	82	Confident	118 Å²	118	76 Å²	76	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-59.8	-28.7	176.2	-170.8	-119.2	0	0	0	113.4	P178 K186	P178-Y182 PolarHBondContact O-N 3.21Å; Y182-K186 HydrophobicContact CD1-CD 4.19Å; Y182-K186 HydrophobicContact CE1-CD 3.93Å; Y182-K186 WeakPolarHBondContact O-CG 3.29Å; Y182-K186 PolarHBondContact O-N 3.49Å; Y182-K186 WeakPolarHBondContact OH-CE 3.39Å; Y182-K186 PolarHBondContact OH-NZ 3.45Å
183	Q	76	Confident	82.2	Confident	134 Å²	134	73 Å²	73	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-38.2	173	-76.4	171.5	-11.6	0	0	112.4	A179 S180 S181 K186 L187	A179-Q183 VanDerWaalsContact O-CG 3.3Å; A179-Q183 WeakPolarHBondContact O-CG 3.49Å; A179-Q183 PolarHBondContact O-N 2.85Å; A179-Q183 VanDerWaalsContact O-N 3.12Å; S180-Q183 WeakPolarHBondContact O-CB 3.42Å; S180-Q183 PolarHBondContact O-N 3.23Å; S181-Q183 PolarHBondContact O-N 3.31Å; S181-Q183 VanDerWaalsContact O-N 3.15Å; Q183-K186 PolarHBondContact O-N 2.93Å; Q183-K186 VanDerWaalsContact O-N 3.1Å; Q183-L187 WeakPolarHBondContact O-CG 3.16Å
184	Q	75.7	Confident	82.3	Confident	90 Å²	90	71.3 Å²	71.3	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-66.6	-38.1	178.8	-68.7	-180	-32.2	0	0	112.3	Q112 M115 S180 S181 K186 L187	Q112-Q184 PolarHBondContact NE2-O 3.48Å; M115-Q184 HydrophobicContact SD-CB 4.19Å; S180-Q184 PolarHBondContact O-N 3.29Å; S181-Q184 WeakPolarHBondContact O-CB 3.42Å; S181-Q184 PolarHBondContact O-N 3Å; Q184-K186 PolarHBondContact O-N 3.06Å; Q184-L187 PolarHBondContact O-N 2.94Å; Q184-L187 VanDerWaalsContact O-N 3.17Å
185	Q	76.6	Confident	82.7	Confident	41 Å²	41	63.8 Å²	63.8	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-26.2	170.5	-78.5	172.4	-20.8	0	0	113.7	Q112 M115 N116 S181 L187	Q112-Q185 PolarHBondContact NE2-O 3.47Å; M115-Q185 HydrophobicContact CE-CG 4.03Å; M115-Q185 HydrophobicContact SD-CG 4.35Å; N116-Q185 PolarHBondContact OD1-NE2 3.18Å; S181-Q185 PolarHBondContact O-N 3.37Å; Q185-L187 VanDerWaalsContact C-N 3.35Å
186	K	84.8	Confident	83	Confident	58 Å²	58	63.2 Å²	63.2	25%	0.252	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.7	-179.5	-72.3	-179.9	167.7	-171.4	0	113.7	Y182 Q183 Q184 G198 I199	Y182-K186 HydrophobicContact CD1-CD 4.19Å; Y182-K186 HydrophobicContact CE1-CD 3.93Å; Y182-K186 WeakPolarHBondContact O-CG 3.29Å; Y182-K186 PolarHBondContact O-N 3.49Å; Y182-K186 WeakPolarHBondContact OH-CE 3.39Å; Y182-K186 PolarHBondContact OH-NZ 3.45Å; Q183-K186 PolarHBondContact O-N 2.93Å; Q183-K186 VanDerWaalsContact O-N 3.1Å; Q184-K186 PolarHBondContact O-N 3.06Å; K186-G198 CarbonylContact O-C 3.45Å; K186-G198 VanDerWaalsContact O-CA 3.28Å; K186-G198 WeakPolarHBondContact O-CA 3.34Å; K186-I199 WeakPolarHBondContact O-CG1 3.38Å; K186-I199 PolarHBondContact O-N 3.08Å
187	L	91.3	Very high	83.6	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.277	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	153.7	176.8	-66.3	172.5	0	0	0	111.4	L108 Q112 Q183 Q184 Q185 L197	L108-L187 HydrophobicContact CD1-CB 4.01Å; L108-L187 HydrophobicContact CD2-CB 4.06Å; Q112-L187 PolarHBondContact NE2-O 2.69Å; Q183-L187 WeakPolarHBondContact O-CG 3.16Å; Q184-L187 PolarHBondContact O-N 2.94Å; Q184-L187 VanDerWaalsContact O-N 3.17Å; Q185-L187 VanDerWaalsContact C-N 3.35Å; L187-L197 CarbonylContact C-O 3.47Å; L187-L197 VanDerWaalsContact CA-O 3.28Å; L187-L197 WeakPolarHBondContact CA-O 3.44Å
188	R	91.5	Very high	84.2	Confident	115 Å²	115	58 Å²	58	43%	0.434	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.6	164.8	65.4	178	-178.6	-162.9	-1.4	109.1	Y196 L197 I199	R188-Y196 CarbonylContact O-C 3.48Å; R188-Y196 WeakPolarHBondContact O-CA 3.4Å; R188-L197 HydrophobicContact CG-CB 4.11Å; R188-L197 PolarHBondContact N-O 3.15Å; R188-L197 PolarHBondContact O-N 3.37Å; R188-I199 HydrophobicContact CB-CG1 4.31Å; R188-I199 HydrophobicContact CG-CG1 4.38Å
189	V	92.8	Very high	84.9	Confident	13 Å²	13	59.6 Å²	59.6	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.1	176.6	-177.5	0	0	0	0	110	M101 A104 K105 L108 Y196	M101-V189 HydrophobicContact CG-CG1 4.16Å; A104-V189 HydrophobicContact CB-CG1 4.46Å; A104-V189 HydrophobicContact CB-CG2 4.25Å; K105-V189 HydrophobicContact CG-CB 3.77Å; K105-V189 HydrophobicContact CG-CG1 4.19Å; K105-V189 HydrophobicContact CG-CG2 4.09Å; L108-V189 HydrophobicContact CD2-CG2 3.98Å; V189-Y196 HydrophobicContact CG2-CD1 3.8Å; V189-Y196 HydrophobicContact CG2-CE1 3.6Å
190	C	93.5	Very high	85.5	Confident	10 Å²	10	62.6 Å²	62.6	7%	0.068	31%	0.308	C	S	.	.			trans	-62.3	131.7	171.2	-169.8	0	0	0	0	110.8	V192 S194 A195 L197 H209 H215	C190-V192 VanDerWaalsContact C-N 3.26Å; C190-V192 PolarHBondContact O-N 3.48Å; C190-S194 WeakPolarHBondContact O-CA 3.37Å; C190-S194 PolarHBondContact O-N 3.34Å; C190-S194 VanDerWaalsContact O-N 3.11Å; C190-A195 WeakPolarHBondContact CB-O 3.22Å; C190-A195 PolarHBondContact N-O 3.28Å; C190-L197 HydrophobicContact CB-CD1 3.45Å; C190-L197 VanDerWaalsContact CB-CD1 3.45Å; C190-H209 PolarHBondContact SG-NE2 3.39Å; C190-H215 VanDerWaalsContact SG-CE1 3.56Å; C190-H215 PolarHBondContact SG-ND1 3.46Å
191	E	91.2	Very high	86.1	Confident	135 Å²	135	60.9 Å²	60.9	63%	0.631	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.9	-179.8	-50.2	-157.1	124.2	0	0	113.9	M101 K105	M101-E191 VanDerWaalsContact SD-C 3.56Å; M101-E191 VanDerWaalsContact SD-CA 3.58Å; K105-E191 IonicContact NZ-OE1 2.69Å; K105-E191 PolarHBondContact NZ-OE1 3.37Å
192	V	92.2	Very high	87	Confident	35 Å²	35	63.7 Å²	63.7	21%	0.212	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-52.4	-177.8	177.8	0	0	0	0	110.5	C190 H215 Y218 A219 R222	C190-V192 VanDerWaalsContact C-N 3.26Å; C190-V192 PolarHBondContact O-N 3.48Å; V192-H215 VanDerWaalsContact CB-CE1 3.45Å; V192-H215 WeakPolarHBondContact CB-CE1 3.42Å; V192-Y218 WeakPolarHBondContact O-CB 3.38Å; V192-Y218 WeakPolarHBondContact O-CD1 3.03Å; V192-A219 HydrophobicContact CG1-CB 4.11Å; V192-R222 PolarHBondContact O-NE 3.07Å; V192-R222 PolarHBondContact O-NH2 3.32Å
193	C	90.9	Very high	87.8	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.034	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	11.4	-169.7	77.3	0	0	0	0	114.9	A195 H209 L214 Y218	C193-A195 PolarHBondContact O-N 3.31Å; C193-H209 PolarHBondContact SG-CE1 3.26Å; C193-L214 HydrophobicContact CB-CD2 4.26Å; C193-L214 HydrophobicContact CB-CG 4.1Å; C193-Y218 HydrophobicContact CB-CD2 3.7Å; C193-Y218 HydrophobicContact CB-CE2 4.37Å; C193-Y218 HydrophobicContact CB-CG 4.06Å
194	S	89.3	Confident	88.7	Confident	30 Å²	30	67.5 Å²	67.5	21%	0.21	32%	0.324	C	S	.	.			trans	60.3	10.5	174.5	-44.3	0	0	0	0	116.5	M101 C190	M101-S194 WeakPolarHBondContact CB-OG 3.42Å; C190-S194 WeakPolarHBondContact O-CA 3.37Å; C190-S194 PolarHBondContact O-N 3.34Å; C190-S194 VanDerWaalsContact O-N 3.11Å
195	A	90.9	Very high	89.3	Confident	27 Å²	27	70.2 Å²	70.2	22%	0.223	33%	0.33	C	S	.	.			trans	-79.4	149.7	178	0	0	0	0	0	111.1	C190 C193 L197	C190-A195 WeakPolarHBondContact CB-O 3.22Å; C190-A195 PolarHBondContact N-O 3.28Å; C193-A195 PolarHBondContact O-N 3.31Å; A195-L197 WeakPolarHBondContact O-CD1 3.49Å
196	Y	91.4	Very high	90	Very high	110 Å²	110	70.2 Å²	70.2	43%	0.431	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.5	172.8	-63.7	-77.9	0	0	0	111	L108 R188 V189	L108-Y196 HydrophobicContact CB-CE1 4.31Å; L108-Y196 HydrophobicContact CD1-CE1 4.36Å; L108-Y196 HydrophobicContact CD2-CD1 4.11Å; L108-Y196 HydrophobicContact CD2-CE1 4.08Å; L108-Y196 HydrophobicContact CG-CE1 4.5Å; R188-Y196 CarbonylContact O-C 3.48Å; R188-Y196 WeakPolarHBondContact O-CA 3.4Å; V189-Y196 HydrophobicContact CG2-CD1 3.8Å; V189-Y196 HydrophobicContact CG2-CE1 3.6Å
197	L	91	Very high	90.4	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.6	170.1	-69.1	94.6	0	0	0	110	L187 R188 C190 A195 L206 H209	L187-L197 CarbonylContact C-O 3.47Å; L187-L197 VanDerWaalsContact CA-O 3.28Å; L187-L197 WeakPolarHBondContact CA-O 3.44Å; R188-L197 HydrophobicContact CG-CB 4.11Å; R188-L197 PolarHBondContact N-O 3.15Å; R188-L197 PolarHBondContact O-N 3.37Å; C190-L197 HydrophobicContact CB-CD1 3.45Å; C190-L197 VanDerWaalsContact CB-CD1 3.45Å; A195-L197 WeakPolarHBondContact O-CD1 3.49Å; L197-L206 HydrophobicContact CD2-CD1 3.47Å; L197-L206 VanDerWaalsContact CD2-CD1 3.47Å; L197-H209 HydrophobicContact CD2-CB 4.41Å
198	G	89.5	Confident	90.6	Very high	9 Å²	9	72.9 Å²	72.9	9%	0.093	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.7	163.2	0	0	0	0	0	111.2	K186 H200 D201	K186-G198 CarbonylContact O-C 3.45Å; K186-G198 VanDerWaalsContact O-CA 3.28Å; K186-G198 WeakPolarHBondContact O-CA 3.34Å; G198-H200 PolarHBondContact O-N 3.31Å; G198-D201 WeakPolarHBondContact CA-OD2 3.27Å; G198-D201 PolarHBondContact N-OD2 3.18Å; G198-D201 PolarHBondContact O-N 2.95Å
199	I	86.3	Confident	90.7	Very high	81 Å²	81	69.2 Å²	69.2	42%	0.415	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-35.7	171.1	-63.2	170.9	0	0	0	110.2	K186 R188	K186-I199 WeakPolarHBondContact O-CG1 3.38Å; K186-I199 PolarHBondContact O-N 3.08Å; R188-I199 HydrophobicContact CB-CG1 4.31Å; R188-I199 HydrophobicContact CG-CG1 4.38Å
200	H	83.1	Confident	90.7	Very high	137 Å²	137	73.2 Å²	73.2	63%	0.634	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	27.9	178.7	-53.4	-64.5	0	0	0	112.6	G198	G198-H200 PolarHBondContact O-N 3.31Å
201	D	85.9	Confident	90.7	Very high	36 Å²	36	74.9 Å²	74.9	19%	0.193	38%	0.381	C	S	.	.			trans	-62.9	141.8	171.2	-86.1	-22.8	0	0	0	110.1	G198 R205	G198-D201 WeakPolarHBondContact CA-OD2 3.27Å; G198-D201 PolarHBondContact N-OD2 3.18Å; G198-D201 PolarHBondContact O-N 2.95Å; D201-R205 WeakPolarHBondContact OD1-CD 3.18Å; D201-R205 IonicContact OD1-CZ 3.36Å; D201-R205 IonicContact OD1-NE 3.66Å; D201-R205 IonicContact OD1-NH1 2.71Å; D201-R205 PolarHBondContact OD1-NH1 2.93Å; D201-R205 IonicContact OD2-CZ 3.24Å; D201-R205 IonicContact OD2-NE 3.24Å; D201-R205 IonicContact OD2-NH1 2.89Å
202	N	89.6	Confident	90.8	Very high	94 Å²	94	69.4 Å²	69.4	50%	0.503	36%	0.361	S	S	.	.			trans	-70.8	156.5	175	60.7	64.6	0	0	0	111.4	R204 R205 L206	N202-R204 PolarHBondContact O-N 3.37Å; N202-R204 VanDerWaalsContact O-N 3.13Å; N202-R204 PolarHBondContact OD1-N 2.87Å; N202-R205 PolarHBondContact O-N 3.45Å; N202-R205 PolarHBondContact OD1-N 3.48Å; N202-L206 PolarHBondContact O-N 3.15Å
203	D	91.1	Very high	90.8	Very high	138 Å²	138	72.8 Å²	72.8	74%	0.738	37%	0.372	S	S	*	.	H	α-helix	trans	-54.8	-35.5	-176.3	-65.7	-7.9	0	0	0	113.3	L206 A207	D203-L206 PolarHBondContact O-N 3.05Å; D203-A207 VanDerWaalsContact O-CB 3.3Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 2.83Å
204	R	93.2	Very high	90.9	Very high	194 Å²	194	73.9 Å²	73.9	73%	0.732	38%	0.378	S	S	*	.	H	α-helix	trans	-63.4	-48.9	177.7	-174.9	173.4	71.7	128.9	-1.7	111.6	N202 L206 A207 D208	N202-R204 PolarHBondContact O-N 3.37Å; N202-R204 VanDerWaalsContact O-N 3.13Å; N202-R204 PolarHBondContact OD1-N 2.87Å; R204-L206 VanDerWaalsContact C-N 3.28Å; R204-L206 PolarHBondContact O-N 3.1Å; R204-A207 PolarHBondContact O-N 3.45Å; R204-D208 PolarHBondContact O-N 3.44Å
205	R	89.7	Confident	91.2	Very high	146 Å²	146	73.4 Å²	73.4	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-65.1	-36	178.2	-173.5	174.9	-178.9	-164.4	6.3	111.5	D201 N202 D208 H209	D201-R205 WeakPolarHBondContact OD1-CD 3.18Å; D201-R205 IonicContact OD1-CZ 3.36Å; D201-R205 IonicContact OD1-NE 3.66Å; D201-R205 IonicContact OD1-NH1 2.71Å; D201-R205 PolarHBondContact OD1-NH1 2.93Å; D201-R205 IonicContact OD2-CZ 3.24Å; D201-R205 IonicContact OD2-NE 3.24Å; D201-R205 IonicContact OD2-NH1 2.89Å; N202-R205 PolarHBondContact O-N 3.45Å; N202-R205 PolarHBondContact OD1-N 3.48Å; R205-D208 PolarHBondContact O-N 2.93Å; R205-H209 PolarHBondContact O-N 3.46Å
206	L	91.8	Very high	91.4	Very high	41 Å²	41	77 Å²	77	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-67.1	-42.1	176.5	-169.6	61.6	0	0	0	111.5	L197 N202 D203 R204 H209 F210	L197-L206 HydrophobicContact CD2-CD1 3.47Å; L197-L206 VanDerWaalsContact CD2-CD1 3.47Å; N202-L206 PolarHBondContact O-N 3.15Å; D203-L206 PolarHBondContact O-N 3.05Å; R204-L206 VanDerWaalsContact C-N 3.28Å; R204-L206 PolarHBondContact O-N 3.1Å; L206-H209 WeakPolarHBondContact O-CB 3.46Å; L206-H209 PolarHBondContact O-N 3.36Å; L206-F210 HydrophobicContact CD1-CD2 3.89Å; L206-F210 HydrophobicContact CD1-CE2 3.27Å; L206-F210 HydrophobicContact CD1-CZ 3.97Å; L206-F210 HydrophobicContact CD2-CE2 3.99Å; L206-F210 HydrophobicContact CG-CD2 3.73Å; L206-F210 HydrophobicContact CG-CE2 3.4Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 3.39Å
207	A	93.3	Very high	91.5	Very high	60 Å²	60	72 Å²	72	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-43.8	173.9	0	0	0	0	0	111.8	D203 R204 H209 F210 G211	D203-A207 VanDerWaalsContact O-CB 3.3Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 2.83Å; R204-A207 PolarHBondContact O-N 3.45Å; A207-H209 PolarHBondContact O-N 3.08Å; A207-F210 PolarHBondContact O-N 3.3Å; A207-G211 PolarHBondContact O-N 3.34Å
208	D	93.5	Very high	91.7	Very high	108 Å²	108	71.8 Å²	71.8	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-33.8	175.6	-69.7	-21.3	0	0	0	112.1	R204 R205 G212	R204-D208 PolarHBondContact O-N 3.44Å; R205-D208 PolarHBondContact O-N 2.93Å; D208-G212 WeakPolarHBondContact O-CA 3.34Å; D208-G212 PolarHBondContact O-N 2.92Å
209	H	93.6	Very high	92	Very high	38 Å²	38	73.3 Å²	73.3	18%	0.176	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-54.4	173.7	173.4	83.8	0	0	0	111.6	C190 C193 L197 R205 L206 A207 G212 H215	C190-H209 PolarHBondContact SG-NE2 3.39Å; C193-H209 PolarHBondContact SG-CE1 3.26Å; L197-H209 HydrophobicContact CD2-CB 4.41Å; R205-H209 PolarHBondContact O-N 3.46Å; L206-H209 WeakPolarHBondContact O-CB 3.46Å; L206-H209 PolarHBondContact O-N 3.36Å; A207-H209 PolarHBondContact O-N 3.08Å; H209-G212 PolarHBondContact O-N 3.41Å; H209-H215 AromaticContact CD2-ND1 3.71Å; H209-H215 AromaticContact NE2-CE1 3.95Å; H209-H215 AromaticContact NE2-ND1 3.15Å; H209-H215 PolarHBondContact NE2-ND1 3.17Å; H209-H215 VanDerWaalsContact NE2-ND1 3.15Å; H209-H215 WeakPolarHBondContact O-CB 3.46Å
210	F	93.9	Very high	92.4	Very high	96 Å²	96	73 Å²	73	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-69.2	-35.5	-176.1	-71.7	-59.2	0	0	0	113	L206 A207 G212 H215 M216	L206-F210 HydrophobicContact CD1-CD2 3.89Å; L206-F210 HydrophobicContact CD1-CE2 3.27Å; L206-F210 HydrophobicContact CD1-CZ 3.97Å; L206-F210 HydrophobicContact CD2-CE2 3.99Å; L206-F210 HydrophobicContact CG-CD2 3.73Å; L206-F210 HydrophobicContact CG-CE2 3.4Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 3.39Å; A207-F210 PolarHBondContact O-N 3.3Å; F210-G212 PolarHBondContact O-N 3.21Å; F210-H215 AromaticContact CD1-CD2 3.97Å; F210-H215 AromaticContact CD1-CE1 3.36Å; F210-H215 WeakPolarHBondContact CD1-CE1 3.41Å; F210-H215 AromaticContact CD1-ND1 3.79Å; F210-H215 AromaticContact CD1-NE2 3.48Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.22Å; F210-H215 AromaticContact CE1-CE1 3.54Å; F210-H215 AromaticContact CE1-NE2 3.98Å; F210-M216 WeakPolarHBondContact O-CG 3.36Å
211	G	93.3	Very high	92.9	Very high	46 Å²	46	66.4 Å²	66.4	47%	0.474	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.5	170.6	0	0	0	0	0	113.7	A207 M216	A207-G211 PolarHBondContact O-N 3.34Å; G211-M216 WeakPolarHBondContact O-CE 3.26Å
212	G	93	Very high	93.3	Very high	20 Å²	20	67.5 Å²	67.5	21%	0.206	34%	0.343	C	S	.	.	S	Bend	trans	-70.7	142.4	178.9	0	0	0	0	0	111.6	D208 H209 F210 L214 H215 M216	D208-G212 WeakPolarHBondContact O-CA 3.34Å; D208-G212 PolarHBondContact O-N 2.92Å; H209-G212 PolarHBondContact O-N 3.41Å; F210-G212 PolarHBondContact O-N 3.21Å; G212-L214 PolarHBondContact O-N 2.91Å; G212-L214 VanDerWaalsContact O-N 3.13Å; G212-H215 PolarHBondContact O-N 2.74Å; G212-M216 PolarHBondContact O-N 3.1Å
213	K	93.4	Very high	93.6	Very high	106 Å²	106	69.5 Å²	69.5	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-52.8	-37.5	179.2	-174.1	177.5	176.4	-178.1	0	113.1	A50 T52 G217	A50-K213 VanDerWaalsContact O-CE 3.24Å; A50-K213 WeakPolarHBondContact O-CE 3.22Å; A50-K213 PolarHBondContact O-NZ 3.3Å; T52-K213 HydrophobicContact CG2-CB 4.28Å; T52-K213 HydrophobicContact CG2-CD 3.93Å; T52-K213 HydrophobicContact CG2-CG 3.81Å; K213-G217 WeakPolarHBondContact O-CA 3.1Å; K213-G217 PolarHBondContact O-N 3.23Å
214	L	92.9	Very high	93.6	Very high	28 Å²	28	67.5 Å²	67.5	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-50.7	177.2	-175.4	73.6	0	0	0	111.4	L49 T52 M54 C193 G212 G217 Y218	L49-L214 HydrophobicContact CD2-CD1 4.37Å; T52-L214 HydrophobicContact CG2-CD1 4.47Å; T52-L214 WeakPolarHBondContact OG1-CD1 3.4Å; M54-L214 HydrophobicContact CB-CD1 3.76Å; M54-L214 HydrophobicContact CG-CD1 3.7Å; C193-L214 HydrophobicContact CB-CD2 4.26Å; C193-L214 HydrophobicContact CB-CG 4.1Å; G212-L214 PolarHBondContact O-N 2.91Å; G212-L214 VanDerWaalsContact O-N 3.13Å; L214-G217 PolarHBondContact O-N 2.98Å; L214-Y218 HydrophobicContact CD1-CD2 4.11Å; L214-Y218 HydrophobicContact CD1-CE2 3.84Å; L214-Y218 HydrophobicContact CG-CD2 4.28Å; L214-Y218 HydrophobicContact CG-CE2 4.38Å; L214-Y218 WeakPolarHBondContact O-CD2 3.22Å; L214-Y218 PolarHBondContact O-N 3.07Å
215	H	94.7	Very high	93.6	Very high	20 Å²	20	59.7 Å²	59.7	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-49.9	-178.3	-171.3	99.2	0	0	0	111	C190 V192 H209 F210 G212 G217 Y218 A219	C190-H215 VanDerWaalsContact SG-CE1 3.56Å; C190-H215 PolarHBondContact SG-ND1 3.46Å; V192-H215 VanDerWaalsContact CB-CE1 3.45Å; V192-H215 WeakPolarHBondContact CB-CE1 3.42Å; H209-H215 AromaticContact CD2-ND1 3.71Å; H209-H215 AromaticContact NE2-CE1 3.95Å; H209-H215 AromaticContact NE2-ND1 3.15Å; H209-H215 PolarHBondContact NE2-ND1 3.17Å; H209-H215 VanDerWaalsContact NE2-ND1 3.15Å; H209-H215 WeakPolarHBondContact O-CB 3.46Å; F210-H215 AromaticContact CD1-CD2 3.97Å; F210-H215 AromaticContact CD1-CE1 3.36Å; F210-H215 WeakPolarHBondContact CD1-CE1 3.41Å; F210-H215 AromaticContact CD1-ND1 3.79Å; F210-H215 AromaticContact CD1-NE2 3.48Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.22Å; F210-H215 AromaticContact CE1-CE1 3.54Å; F210-H215 AromaticContact CE1-NE2 3.98Å; G212-H215 PolarHBondContact O-N 2.74Å; H215-G217 VanDerWaalsContact C-N 3.28Å; H215-G217 PolarHBondContact O-N 3.42Å; H215-Y218 PolarHBondContact O-N 3.37Å; H215-A219 WeakPolarHBondContact O-CB 3.45Å; H215-A219 PolarHBondContact O-N 3.21Å
216	M	95.1	Very high	93.8	Very high	101 Å²	101	55.2 Å²	55.2	50%	0.498	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-38	177.5	-64.9	-169.1	-60.1	0	0	112.1	F210 G211 G212 A219 Y220	F210-M216 WeakPolarHBondContact O-CG 3.36Å; G211-M216 WeakPolarHBondContact O-CE 3.26Å; G212-M216 PolarHBondContact O-N 3.1Å; M216-A219 PolarHBondContact O-N 3.08Å; M216-Y220 VanDerWaalsContact O-CB 3.26Å; M216-Y220 WeakPolarHBondContact O-CB 3.35Å; M216-Y220 PolarHBondContact O-N 3.05Å
217	G	93.9	Very high	93.8	Very high	6 Å²	6	55.6 Å²	55.6	6%	0.062	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-48.4	175.9	0	0	0	0	0	112.3	K213 L214 H215 Y220 L221	K213-G217 WeakPolarHBondContact O-CA 3.1Å; K213-G217 PolarHBondContact O-N 3.23Å; L214-G217 PolarHBondContact O-N 2.98Å; H215-G217 VanDerWaalsContact C-N 3.28Å; H215-G217 PolarHBondContact O-N 3.42Å; G217-Y220 PolarHBondContact O-N 3.37Å; G217-L221 WeakPolarHBondContact O-CB 3.44Å; G217-L221 VanDerWaalsContact O-CG 3.23Å; G217-L221 WeakPolarHBondContact O-CG 3.48Å; G217-L221 PolarHBondContact O-N 3.18Å
218	Y	95	Very high	93.6	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-41.9	174.9	-89.8	-86	0	0	0	112.5	L49 M54 F93 F94 V192 C193 L214 H215 L221 R222	L49-Y218 HydrophobicContact CD1-CD2 4.46Å; L49-Y218 HydrophobicContact CD1-CE2 3.88Å; L49-Y218 HydrophobicContact CD2-CD2 3.91Å; L49-Y218 HydrophobicContact CD2-CE2 4Å; M54-Y218 HydrophobicContact CB-CE2 4.47Å; M54-Y218 HydrophobicContact CG-CE2 4.36Å; F93-Y218 AromaticContact CE1-CE1 3.96Å; F93-Y218 HydrophobicContact CE1-CE1 3.96Å; F93-Y218 AromaticContact CZ-CE1 3.91Å; F93-Y218 HydrophobicContact CZ-CE1 3.91Å; F94-Y218 HydrophobicContact CE1-CD1 4.29Å; V192-Y218 WeakPolarHBondContact O-CB 3.38Å; V192-Y218 WeakPolarHBondContact O-CD1 3.03Å; C193-Y218 HydrophobicContact CB-CD2 3.7Å; C193-Y218 HydrophobicContact CB-CE2 4.37Å; C193-Y218 HydrophobicContact CB-CG 4.06Å; L214-Y218 HydrophobicContact CD1-CD2 4.11Å; L214-Y218 HydrophobicContact CD1-CE2 3.84Å; L214-Y218 HydrophobicContact CG-CD2 4.28Å; L214-Y218 HydrophobicContact CG-CE2 4.38Å; L214-Y218 WeakPolarHBondContact O-CD2 3.22Å; L214-Y218 PolarHBondContact O-N 3.07Å; H215-Y218 PolarHBondContact O-N 3.37Å; Y218-L221 PolarHBondContact O-N 2.9Å; Y218-R222 WeakPolarHBondContact O-CB 3.38Å; Y218-R222 WeakPolarHBondContact O-CG 3.42Å; Y218-R222 PolarHBondContact O-N 3.4Å
219	A	95	Very high	93.5	Very high	40 Å²	40	51.4 Å²	51.4	33%	0.331	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-48.8	177.4	0	0	0	0	0	111.1	V192 H215 M216 L221 R222 E223	V192-A219 HydrophobicContact CG1-CB 4.11Å; H215-A219 WeakPolarHBondContact O-CB 3.45Å; H215-A219 PolarHBondContact O-N 3.21Å; M216-A219 PolarHBondContact O-N 3.08Å; A219-L221 PolarHBondContact O-N 2.83Å; A219-R222 PolarHBondContact O-N 3.08Å; A219-E223 WeakPolarHBondContact O-CB 3.34Å; A219-E223 PolarHBondContact O-N 3.38Å
220	Y	95.1	Very high	93.3	Very high	74 Å²	74	53.4 Å²	53.4	29%	0.29	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-45.7	176.2	173.4	-102	0	0	0	112.2	G42 V48 M216 G217 R222 E223 R224	G42-Y220 VanDerWaalsContact O-CE1 3.32Å; G42-Y220 WeakPolarHBondContact O-CE1 3.38Å; G42-Y220 PolarHBondContact O-OH 3.26Å; V48-Y220 HydrophobicContact CG1-CD1 4.24Å; V48-Y220 HydrophobicContact CG2-CD1 4.15Å; V48-Y220 HydrophobicContact CG2-CE1 4.07Å; M216-Y220 VanDerWaalsContact O-CB 3.26Å; M216-Y220 WeakPolarHBondContact O-CB 3.35Å; M216-Y220 PolarHBondContact O-N 3.05Å; G217-Y220 PolarHBondContact O-N 3.37Å; Y220-R222 PolarHBondContact O-N 2.9Å; Y220-E223 PolarHBondContact O-N 3.03Å; Y220-R224 HydrophobicContact CD2-CG 4.41Å; Y220-R224 HydrophobicContact CE1-CG 4.17Å; Y220-R224 HydrophobicContact CE2-CG 4.02Å; Y220-R224 WeakPolarHBondContact O-CG 3.48Å; Y220-R224 PolarHBondContact O-N 3.24Å; Y220-R224 PolarHBondContact OH-NH1 3Å; Y220-R224 PolarHBondContact OH-NH2 2.72Å
221	L	94.6	Very high	92.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-39.7	178.2	-70.5	171.2	0	0	0	111.9	C43 P45 V48 L49 L90 F93 F94 G217 Y218 A219 R224 Y225	C43-L221 HydrophobicContact CB-CD2 4.25Å; C43-L221 WeakPolarHBondContact O-CD2 3.44Å; P45-L221 HydrophobicContact CB-CD1 4.24Å; V48-L221 HydrophobicContact CB-CD1 4.24Å; V48-L221 HydrophobicContact CB-CD2 4.16Å; V48-L221 HydrophobicContact CB-CG 4.25Å; V48-L221 HydrophobicContact CG1-CD1 4.1Å; V48-L221 HydrophobicContact CG1-CD2 4.36Å; V48-L221 HydrophobicContact CG1-CG 3.97Å; V48-L221 HydrophobicContact CG2-CD2 3.93Å; V48-L221 HydrophobicContact CG2-CG 4.45Å; L49-L221 HydrophobicContact CD1-CD1 4.19Å; L49-L221 HydrophobicContact CD2-CD1 4.4Å; L49-L221 HydrophobicContact CG-CD1 4.1Å; L90-L221 HydrophobicContact CD2-CD2 4.31Å; F93-L221 HydrophobicContact CE1-CD1 4.17Å; F94-L221 HydrophobicContact CE2-CB 4.24Å; F94-L221 VanDerWaalsContact CZ-C 3.49Å; F94-L221 HydrophobicContact CZ-CB 3.59Å; G217-L221 WeakPolarHBondContact O-CB 3.44Å; G217-L221 VanDerWaalsContact O-CG 3.23Å; G217-L221 WeakPolarHBondContact O-CG 3.48Å; G217-L221 PolarHBondContact O-N 3.18Å; Y218-L221 PolarHBondContact O-N 2.9Å; A219-L221 PolarHBondContact O-N 2.83Å; L221-R224 PolarHBondContact O-N 3.23Å; L221-Y225 VanDerWaalsContact O-CB 3.27Å; L221-Y225 WeakPolarHBondContact O-CB 3.27Å; L221-Y225 PolarHBondContact O-N 3.38Å
222	R	94.4	Very high	92.4	Very high	58 Å²	58	52.9 Å²	52.9	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-41.3	178.6	-75.2	-175.2	-169.8	-81.2	4.4	111.4	F94 D98 V192 Y218 A219 Y220 Y225 A226	F94-R222 HydrophobicContact CD1-CG 4.12Å; F94-R222 HydrophobicContact CE1-CB 4.45Å; F94-R222 HydrophobicContact CE1-CG 3.31Å; F94-R222 HydrophobicContact CE2-CG 4.45Å; F94-R222 HydrophobicContact CZ-CB 4.2Å; F94-R222 HydrophobicContact CZ-CG 3.5Å; D98-R222 IonicContact OD1-CZ 3.49Å; D98-R222 VanDerWaalsContact OD1-CZ 3.24Å; D98-R222 IonicContact OD1-NH1 3.63Å; D98-R222 PolarHBondContact OD1-NH1 3.07Å; D98-R222 IonicContact OD1-NH2 2.69Å; D98-R222 PolarHBondContact OD1-NH2 3.35Å; D98-R222 IonicContact OD2-NH1 3.54Å; D98-R222 PolarHBondContact OD2-NH1 3.2Å; V192-R222 PolarHBondContact O-NE 3.07Å; V192-R222 PolarHBondContact O-NH2 3.32Å; Y218-R222 WeakPolarHBondContact O-CB 3.38Å; Y218-R222 WeakPolarHBondContact O-CG 3.42Å; Y218-R222 PolarHBondContact O-N 3.4Å; A219-R222 PolarHBondContact O-N 3.08Å; Y220-R222 PolarHBondContact O-N 2.9Å; R222-Y225 PolarHBondContact O-N 3.05Å; R222-A226 WeakPolarHBondContact O-CB 3.36Å; R222-A226 PolarHBondContact O-N 3Å
223	E	94.6	Very high	91.9	Very high	137 Å²	137	59.9 Å²	59.9	64%	0.64	30%	0.298	S	S	*	.	H	α-helix	trans	-60.2	-48.2	174.2	-175.4	-176.9	-173.9	0	0	111	A219 Y220 Y225 A226 A227	A219-E223 WeakPolarHBondContact O-CB 3.34Å; A219-E223 PolarHBondContact O-N 3.38Å; Y220-E223 PolarHBondContact O-N 3.03Å; E223-Y225 VanDerWaalsContact C-N 3.34Å; E223-Y225 PolarHBondContact O-N 3.39Å; E223-A226 PolarHBondContact O-N 3.13Å; E223-A227 PolarHBondContact O-N 3.24Å
224	R	92.2	Very high	90.5	Very high	95 Å²	95	65.1 Å²	65.1	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-39.6	176.8	-70.1	-58	-171.5	100.5	-2.7	112.8	L41 C43 Y220 L221 A227 L228	L41-R224 PolarHBondContact O-NH1 3.48Å; C43-R224 HydrophobicContact CB-CB 3.95Å; C43-R224 HydrophobicContact CB-CG 4.09Å; Y220-R224 HydrophobicContact CD2-CG 4.41Å; Y220-R224 HydrophobicContact CE1-CG 4.17Å; Y220-R224 HydrophobicContact CE2-CG 4.02Å; Y220-R224 WeakPolarHBondContact O-CG 3.48Å; Y220-R224 PolarHBondContact O-N 3.24Å; Y220-R224 PolarHBondContact OH-NH1 3Å; Y220-R224 PolarHBondContact OH-NH2 2.72Å; L221-R224 PolarHBondContact O-N 3.23Å; R224-A227 PolarHBondContact O-N 3.49Å; R224-L228 WeakPolarHBondContact O-CB 3.27Å; R224-L228 WeakPolarHBondContact O-CG 3.44Å; R224-L228 PolarHBondContact O-N 3.07Å
225	Y	93.6	Very high	90.4	Very high	30 Å²	30	67 Å²	67	12%	0.118	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-43.3	175.5	172.7	-115	0	0	0	112.4	L90 D91 F94 L221 R222 E223 L228 K229	L90-Y225 HydrophobicContact CB-CD2 3.61Å; L90-Y225 HydrophobicContact CB-CE2 4.24Å; L90-Y225 HydrophobicContact CB-CG 4.38Å; L90-Y225 HydrophobicContact CD1-CD2 4.44Å; D91-Y225 HydrophobicContact CB-CE2 3.97Å; D91-Y225 PolarHBondContact OD1-OH 2.82Å; F94-Y225 AromaticContact CD2-CD1 3.74Å; F94-Y225 HydrophobicContact CD2-CD1 3.74Å; F94-Y225 HydrophobicContact CD2-CD2 4.03Å; F94-Y225 HydrophobicContact CD2-CE1 4.14Å; F94-Y225 HydrophobicContact CD2-CE2 4.4Å; F94-Y225 AromaticContact CD2-CG 3.65Å; F94-Y225 HydrophobicContact CD2-CG 3.65Å; F94-Y225 HydrophobicContact CE2-CD1 4.13Å; F94-Y225 HydrophobicContact CE2-CD2 4.46Å; F94-Y225 AromaticContact CE2-CG 3.83Å; F94-Y225 HydrophobicContact CE2-CG 3.83Å; F94-Y225 HydrophobicContact CG-CD1 4.45Å; L221-Y225 VanDerWaalsContact O-CB 3.27Å; L221-Y225 WeakPolarHBondContact O-CB 3.27Å; L221-Y225 PolarHBondContact O-N 3.38Å; R222-Y225 PolarHBondContact O-N 3.05Å; E223-Y225 VanDerWaalsContact C-N 3.34Å; E223-Y225 PolarHBondContact O-N 3.39Å; Y225-L228 PolarHBondContact O-N 2.76Å; Y225-K229 HydrophobicContact CE1-CD 4.08Å; Y225-K229 HydrophobicContact CE2-CD 4.38Å; Y225-K229 HydrophobicContact CE2-CG 4.43Å; Y225-K229 VanDerWaalsContact CZ-NZ 3.29Å; Y225-K229 PolarHBondContact O-N 3.24Å; Y225-K229 WeakPolarHBondContact OH-CE 3.47Å; Y225-K229 PolarHBondContact OH-NZ 3.08Å
226	A	93.3	Very high	90.2	Very high	53 Å²	53	69.4 Å²	69.4	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-43.1	174.5	0	0	0	0	0	111.7	R222 E223 K229 V230	R222-A226 WeakPolarHBondContact O-CB 3.36Å; R222-A226 PolarHBondContact O-N 3Å; E223-A226 PolarHBondContact O-N 3.13Å; A226-K229 PolarHBondContact O-N 3.49Å; A226-V230 WeakPolarHBondContact O-CG2 3.13Å; A226-V230 PolarHBondContact O-N 2.75Å
227	A	91.6	Very high	89.9	Confident	48 Å²	48	67.7 Å²	67.7	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-44.5	175.8	0	0	0	0	0	112.1	E223 R224 K229 V230 I231	E223-A227 PolarHBondContact O-N 3.24Å; R224-A227 PolarHBondContact O-N 3.49Å; A227-K229 PolarHBondContact O-N 2.9Å; A227-V230 PolarHBondContact O-N 2.94Å; A227-I231 WeakPolarHBondContact O-CG1 3.23Å; A227-I231 PolarHBondContact O-N 3.09Å; A227-I231 VanDerWaalsContact O-N 3.1Å
228	L	89.8	Confident	89.7	Confident	11 Å²	11	71.3 Å²	71.3	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-39.8	177.4	-75.8	168.1	0	0	0	112.2	L41 D83 A86 L87 L90 R224 Y225 V230 I231 V232	L41-L228 HydrophobicContact CD1-CD1 4.45Å; L41-L228 HydrophobicContact CD1-CD2 4.07Å; D83-L228 HydrophobicContact CB-CD2 3.96Å; A86-L228 HydrophobicContact CB-CD1 4.29Å; L87-L228 HydrophobicContact CD1-CB 4.43Å; L90-L228 HydrophobicContact CD1-CD1 3.58Å; R224-L228 WeakPolarHBondContact O-CB 3.27Å; R224-L228 WeakPolarHBondContact O-CG 3.44Å; R224-L228 PolarHBondContact O-N 3.07Å; Y225-L228 PolarHBondContact O-N 2.76Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 PolarHBondContact O-N 2.74Å; L228-I231 PolarHBondContact O-N 2.84Å; L228-I231 VanDerWaalsContact O-N 3.15Å; L228-V232 WeakPolarHBondContact O-CG2 3.39Å; L228-V232 PolarHBondContact O-N 3.42Å
229	K	90.2	Very high	89.3	Confident	70 Å²	70	75.6 Å²	75.6	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-56.9	-45	173.6	-82	-173.1	161.9	176.2	0	111.9	L87 Y225 A226 A227 I231 V232 Y233	L87-K229 HydrophobicContact CD1-CB 4.27Å; L87-K229 HydrophobicContact CD1-CG 3.74Å; L87-K229 HydrophobicContact CG-CG 4.49Å; Y225-K229 HydrophobicContact CE1-CD 4.08Å; Y225-K229 HydrophobicContact CE2-CD 4.38Å; Y225-K229 HydrophobicContact CE2-CG 4.43Å; Y225-K229 VanDerWaalsContact CZ-NZ 3.29Å; Y225-K229 PolarHBondContact O-N 3.24Å; Y225-K229 WeakPolarHBondContact OH-CE 3.47Å; Y225-K229 PolarHBondContact OH-NZ 3.08Å; A226-K229 PolarHBondContact O-N 3.49Å; A227-K229 PolarHBondContact O-N 2.9Å; K229-I231 VanDerWaalsContact C-N 3.29Å; K229-I231 PolarHBondContact O-N 3.44Å; K229-V232 PolarHBondContact O-N 3.46Å; K229-Y233 HydrophobicContact CB-CD2 4.16Å; K229-Y233 HydrophobicContact CB-CE2 4.31Å; K229-Y233 HydrophobicContact CG-CD2 4.41Å; K229-Y233 HydrophobicContact CG-CE2 4.06Å; K229-Y233 WeakPolarHBondContact O-CB 3.43Å; K229-Y233 WeakPolarHBondContact O-CD2 3.36Å; K229-Y233 PolarHBondContact O-N 2.91Å
230	V	89.7	Confident	89	Confident	79 Å²	79	77.9 Å²	77.9	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-34	178.9	174.5	0	0	0	0	111.7	A226 A227 L228 K234	A226-V230 WeakPolarHBondContact O-CG2 3.13Å; A226-V230 PolarHBondContact O-N 2.75Å; A227-V230 PolarHBondContact O-N 2.94Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 PolarHBondContact O-N 2.74Å; V230-K234 HydrophobicContact CG1-CD 4.23Å; V230-K234 WeakPolarHBondContact O-CB 3.18Å; V230-K234 VanDerWaalsContact O-CD 3.26Å; V230-K234 WeakPolarHBondContact O-CD 3.49Å; V230-K234 WeakPolarHBondContact O-CG 3.25Å
231	I	85.8	Confident	88.5	Confident	92 Å²	92	78.2 Å²	78.2	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-73.3	-43.6	178.8	-66.8	164.5	0	0	0	111.2	A227 L228 K229	A227-I231 WeakPolarHBondContact O-CG1 3.23Å; A227-I231 PolarHBondContact O-N 3.09Å; A227-I231 VanDerWaalsContact O-N 3.1Å; L228-I231 PolarHBondContact O-N 2.84Å; L228-I231 VanDerWaalsContact O-N 3.15Å; K229-I231 VanDerWaalsContact C-N 3.29Å; K229-I231 PolarHBondContact O-N 3.44Å
232	V	83.2	Confident	88.1	Confident	40 Å²	40	84.2 Å²	84.2	24%	0.242	41%	0.409	C	S	.	.	H	α-helix	trans	-77.1	-34	-174.5	172.6	0	0	0	0	112.9	D83 I84 L87 L228 K229	D83-V232 HydrophobicContact CB-CG2 3.71Å; I84-V232 HydrophobicContact CG1-CG1 4.04Å; I84-V232 HydrophobicContact CG1-CG2 4.3Å; L87-V232 HydrophobicContact CB-CG2 4.44Å; L87-V232 HydrophobicContact CD1-CB 3.89Å; L87-V232 HydrophobicContact CD1-CG1 4.28Å; L87-V232 HydrophobicContact CD1-CG2 3.94Å; L228-V232 WeakPolarHBondContact O-CG2 3.39Å; L228-V232 PolarHBondContact O-N 3.42Å; K229-V232 PolarHBondContact O-N 3.46Å
233	Y	81.6	Confident	87.5	Confident	166 Å²	166	86.4 Å²	86.4	65%	0.651	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	7.8	179.7	-62.8	-59.4	0	0	0	114.3	L87 K229	L87-Y233 HydrophobicContact CD1-CE2 4.41Å; K229-Y233 HydrophobicContact CB-CD2 4.16Å; K229-Y233 HydrophobicContact CB-CE2 4.31Å; K229-Y233 HydrophobicContact CG-CD2 4.41Å; K229-Y233 HydrophobicContact CG-CE2 4.06Å; K229-Y233 WeakPolarHBondContact O-CB 3.43Å; K229-Y233 WeakPolarHBondContact O-CD2 3.36Å; K229-Y233 PolarHBondContact O-N 2.91Å
234	K	64.7	Low	86.9	Confident	216 Å²	216	81.8 Å²	81.8	94%	0.939	41%	0.405	S	S	*	.			trans	-83.2	0	168.6	-92.8	175.1	-178.3	-179.9	0	110.7	V230	V230-K234 HydrophobicContact CG1-CD 4.23Å; V230-K234 WeakPolarHBondContact O-CB 3.18Å; V230-K234 VanDerWaalsContact O-CD 3.26Å; V230-K234 WeakPolarHBondContact O-CD 3.49Å; V230-K234 WeakPolarHBondContact O-CG 3.25Å

Retrieved 234 of 234 residues in 116.1 ms (Link to these results)

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