A0A3Q0KGN2_SCHMA Loading...

Putative dna double-strand break repair rad50 ATPase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 596 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	38.6	Very low	220 Å²	220	157.4 Å²	157.4	100%	1.084	82%	0.819	S	S	*	*				0	115.7	0	-80.6	174.3	65.9	0	0	106.8
2	P	40	Very low	38.4	Very low	122 Å²	122	158.1 Å²	158.1	79%	0.792	82%	0.816	S	S	*	*			trans	-94.2	129	155.8	3.5	17	0	0	0	108.6	Y4	P2-Y4 PolarHBondContact O-N 3.21Å
3	D	41.4	Very low	38.3	Very low	149 Å²	149	155.9 Å²	155.9	80%	0.797	81%	0.814	S	S	*	*			trans	-67.3	114.5	175.1	-71.6	-48.8	0	0	0	110.4
4	Y	39.3	Very low	38.1	Very low	215 Å²	215	156.9 Å²	156.9	84%	0.843	81%	0.813	S	S	*	*			trans	-117.2	75.5	170.9	-130.1	-86.6	0	0	0	107.7	P2	P2-Y4 PolarHBondContact O-N 3.21Å
5	C	36.5	Very low	37.9	Very low	114 Å²	114	153.7 Å²	153.7	77%	0.77	81%	0.81	S	S	*	*			trans	-146.2	69.8	175.6	-80	0	0	0	0	108.3
6	N	37.7	Very low	37.8	Very low	154 Å²	154	152.1 Å²	152.1	82%	0.824	81%	0.808	S	S	*	*			trans	-153.9	73.5	164.2	-79.7	-33	0	0	0	106.7
7	E	40.4	Very low	37.6	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	80%	0.801	S	S	*	*			trans	-110.7	107	154.9	-82.9	-167.5	172.1	0	0	106.2	D9	E7-D9 PolarHBondContact O-N 2.93Å
8	D	38.5	Very low	37.5	Very low	141 Å²	141	151.8 Å²	151.8	75%	0.754	81%	0.807	S	S	*	*			trans	-59.2	123.4	178.2	-73.4	-52.6	0	0	0	110.5	S10	D8-S10 PolarHBondContact O-N 3.19Å
9	D	38.6	Very low	37.2	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	81%	0.81	S	S	*	*			trans	-63.8	71.2	166.4	-79.6	-42	0	0	0	110.3	E7 K11	E7-D9 PolarHBondContact O-N 2.93Å; D9-K11 VanDerWaalsContact C-N 3.26Å; D9-K11 PolarHBondContact O-N 2.94Å
10	S	39	Very low	37.1	Very low	97 Å²	97	149 Å²	149	68%	0.678	80%	0.802	S	S	*	*			trans	-74.2	84.7	168.1	-73.1	0	0	0	0	109	D8 Q12	D8-S10 PolarHBondContact O-N 3.19Å; S10-Q12 PolarHBondContact O-N 3.1Å
11	K	38.6	Very low	37	Very low	181 Å²	181	149 Å²	149	79%	0.787	81%	0.807	S	S	*	*			trans	-65.9	80	165.9	-67.3	179.3	-178.4	175.4	0	109.3	D9 T13	D9-K11 VanDerWaalsContact C-N 3.26Å; D9-K11 PolarHBondContact O-N 2.94Å; K11-T13 PolarHBondContact O-N 3.35Å
12	Q	35.6	Very low	37.2	Very low	166 Å²	166	147.2 Å²	147.2	78%	0.776	80%	0.795	S	S	*	*			trans	-75.1	104.5	164.5	-73.6	-173.1	12.1	0	0	108.5	S10 E14	S10-Q12 PolarHBondContact O-N 3.1Å; Q12-E14 PolarHBondContact O-N 2.95Å; Q12-E14 VanDerWaalsContact O-N 3.12Å
13	T	37.6	Very low	37.1	Very low	130 Å²	130	150.2 Å²	150.2	80%	0.798	80%	0.796	S	S	*	*			trans	-73.3	84	170.7	49.5	0	0	0	0	109.1	K11 S15	K11-T13 PolarHBondContact O-N 3.35Å; T13-S15 PolarHBondContact O-N 2.97Å
14	E	35.5	Very low	37	Very low	169 Å²	169	150.9 Å²	150.9	79%	0.79	80%	0.797	S	S	*	*			trans	-81.6	100.2	164.5	-85.8	-171.1	156.1	0	0	109.5	Q12 V16	Q12-E14 PolarHBondContact O-N 2.95Å; Q12-E14 VanDerWaalsContact O-N 3.12Å; E14-V16 PolarHBondContact O-N 2.9Å; E14-V16 VanDerWaalsContact O-N 3.12Å
15	S	34.3	Very low	37.1	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	79%	0.793	S	S	*	*			trans	-68.9	92.2	167.2	53.5	0	0	0	0	109.6	T13 T17	T13-S15 PolarHBondContact O-N 2.97Å; S15-T17 PolarHBondContact O-N 3.13Å
16	V	37.5	Very low	37.5	Very low	128 Å²	128	148 Å²	148	78%	0.776	79%	0.789	S	S	*	*			trans	-85.8	106.8	167.9	179.8	0	0	0	0	109	E14 M18	E14-V16 PolarHBondContact O-N 2.9Å; E14-V16 VanDerWaalsContact O-N 3.12Å; V16-M18 PolarHBondContact O-N 3.09Å
17	T	34.6	Very low	37.9	Very low	113 Å²	113	147.1 Å²	147.1	69%	0.693	79%	0.785	S	S	*	*			trans	-53.9	123.4	175.7	-37.3	0	0	0	0	111.2	S15 H19	S15-T17 PolarHBondContact O-N 3.13Å; T17-H19 PolarHBondContact O-N 3.46Å
18	M	34.8	Very low	38.2	Very low	186 Å²	186	142.6 Å²	142.6	92%	0.916	77%	0.766	S	S	*	*			trans	-66.5	93.1	173.7	-65.6	-78.8	-77.9	0	0	109.6	V16	V16-M18 PolarHBondContact O-N 3.09Å
19	H	33	Very low	39.1	Very low	184 Å²	184	141 Å²	141	85%	0.852	76%	0.761	S	S	*	*			trans	-122.4	117.7	174.4	-133.6	77.8	0	0	0	109.2	T17	T17-H19 PolarHBondContact O-N 3.46Å
20	G	34.8	Very low	40.2	Very low	63 Å²	63	136.1 Å²	136.1	65%	0.649	75%	0.747	S	S	*	*			trans	129.3	78.5	171.1	0	0	0	0	0	113.9	H22	G20-H22 PolarHBondContact O-N 3.16Å
21	V	33.9	Very low	41.5	Very low	150 Å²	150	137 Å²	137	91%	0.909	74%	0.744	S	S	*	*			trans	-65.2	80.9	162.1	179.2	0	0	0	0	107.9
22	H	39.9	Very low	43.5	Very low	182 Å²	182	133 Å²	133	84%	0.843	73%	0.731	S	S	*	*			trans	-90.4	110.1	169.1	-105.3	-52.5	0	0	0	110.4	G20 I24	G20-H22 PolarHBondContact O-N 3.16Å; H22-I24 PolarHBondContact O-N 3.14Å
23	K	37.5	Very low	45.7	Very low	185 Å²	185	129.4 Å²	129.4	80%	0.804	72%	0.72	S	S	*	*			trans	-30.7	124.4	169	-69.9	169.4	176.4	175.6	0	112.7	H25	K23-H25 PolarHBondContact O-N 3.16Å
24	I	38.6	Very low	48.1	Very low	162 Å²	162	125.6 Å²	125.6	83%	0.831	70%	0.702	S	S	*	*			trans	-35.6	112.5	159.9	-61.4	155.1	0	0	0	110.3	H22	H22-I24 PolarHBondContact O-N 3.14Å
25	H	41.9	Very low	50.6	Low	162 Å²	162	119.9 Å²	119.9	75%	0.75	68%	0.68	S	S	*	*			trans	-109.9	114.3	157.2	-118.7	-56.9	0	0	0	107	K23 N27	K23-H25 PolarHBondContact O-N 3.16Å; H25-N27 PolarHBondContact O-N 3.31Å
26	P	45.9	Very low	53.2	Low	106 Å²	106	119.3 Å²	119.3	69%	0.688	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	19.3	-171	18.8	-13.4	0	0	0	115
27	N	45.6	Very low	55.7	Low	137 Å²	137	118 Å²	118	73%	0.733	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	11.1	-169.7	-67.6	-10.1	0	0	0	114.9	H25 V29	H25-N27 PolarHBondContact O-N 3.31Å; N27-V29 PolarHBondContact O-N 3.05Å
28	D	46.7	Very low	58.5	Low	88 Å²	88	117.8 Å²	117.8	47%	0.471	65%	0.646	S	S	.	*			trans	-98.1	65.4	178	-153.5	-19.2	0	0	0	112.5	G30 L31 D32	D28-G30 PolarHBondContact O-N 3Å; D28-G30 PolarHBondContact OD1-N 3.3Å; D28-L31 HydrophobicContact CB-CB 4.4Å; D28-L31 PolarHBondContact O-N 3.07Å; D28-L31 PolarHBondContact OD1-N 3.4Å; D28-L31 VanDerWaalsContact OD1-N 3.12Å; D28-L31 WeakPolarHBondContact OD2-CD1 3.46Å; D28-D32 PolarHBondContact O-N 3.2Å
29	V	57.5	Low	61.3	Low	108 Å²	108	113.9 Å²	113.9	66%	0.655	63%	0.628	S	S	*	*	H	α-helix	trans	-60.2	-22.9	176	-167	0	0	0	0	110.9	N27 V33	N27-V29 PolarHBondContact O-N 3.05Å; V29-V33 WeakPolarHBondContact O-CG2 3.32Å; V29-V33 PolarHBondContact O-N 2.87Å
30	G	61.8	Low	64.1	Low	51 Å²	51	110.4 Å²	110.4	53%	0.526	61%	0.612	S	S	.	*	H	α-helix	trans	-74.3	-45.8	-179.7	0	0	0	0	0	113.3	D28 D32 V33 A34	D28-G30 PolarHBondContact O-N 3Å; D28-G30 PolarHBondContact OD1-N 3.3Å; G30-D32 VanDerWaalsContact C-N 3.34Å; G30-V33 PolarHBondContact O-N 2.91Å; G30-A34 PolarHBondContact O-N 3.5Å
31	L	66.9	Low	66.9	Low	116 Å²	116	111.7 Å²	111.7	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-64.6	-39.3	175.7	-100.6	153.1	0	0	0	111.6	D28 V33 A34 S35	D28-L31 HydrophobicContact CB-CB 4.4Å; D28-L31 PolarHBondContact O-N 3.07Å; D28-L31 PolarHBondContact OD1-N 3.4Å; D28-L31 VanDerWaalsContact OD1-N 3.12Å; D28-L31 WeakPolarHBondContact OD2-CD1 3.46Å; L31-V33 PolarHBondContact O-N 2.98Å; L31-A34 PolarHBondContact O-N 2.86Å; L31-S35 PolarHBondContact O-N 2.96Å; L31-S35 PolarHBondContact O-OG 3.5Å
32	D	79.2	Confident	69.9	Low	96 Å²	96	106.9 Å²	106.9	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-64.7	-40.7	179.1	-162.7	22	0	0	0	112.1	D28 G30 A34 S35 L36	D28-D32 PolarHBondContact O-N 3.2Å; G30-D32 VanDerWaalsContact C-N 3.34Å; D32-A34 VanDerWaalsContact C-N 3.34Å; D32-A34 PolarHBondContact O-N 3.13Å; D32-S35 VanDerWaalsContact CA-OG 3.23Å; D32-S35 WeakPolarHBondContact CA-OG 3.41Å; D32-S35 PolarHBondContact O-N 3.36Å; D32-S35 PolarHBondContact O-OG 2.77Å; D32-L36 WeakPolarHBondContact O-CB 3.16Å; D32-L36 VanDerWaalsContact O-CG 3.23Å; D32-L36 WeakPolarHBondContact O-CG 3.23Å; D32-L36 PolarHBondContact O-N 3.45Å
33	V	82.9	Confident	72.6	Confident	92 Å²	92	103.9 Å²	103.9	56%	0.558	56%	0.561	S	S	*	*	H	α-helix	trans	-62.5	-40.5	174.9	171.5	0	0	0	0	111.6	V29 G30 L31 L36 K37	V29-V33 WeakPolarHBondContact O-CG2 3.32Å; V29-V33 PolarHBondContact O-N 2.87Å; G30-V33 PolarHBondContact O-N 2.91Å; L31-V33 PolarHBondContact O-N 2.98Å; V33-L36 PolarHBondContact O-N 2.85Å; V33-K37 WeakPolarHBondContact O-CB 3.45Å; V33-K37 PolarHBondContact O-N 2.89Å
34	A	87.8	Confident	75.4	Confident	49 Å²	49	100.1 Å²	100.1	41%	0.405	54%	0.544	S	S	.	.	H	α-helix	trans	-65.6	-44.8	176.1	0	0	0	0	0	111.7	G30 L31 D32 K37 I38	G30-A34 PolarHBondContact O-N 3.5Å; L31-A34 PolarHBondContact O-N 2.86Å; D32-A34 VanDerWaalsContact C-N 3.34Å; D32-A34 PolarHBondContact O-N 3.13Å; A34-K37 PolarHBondContact O-N 3.43Å; A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.26Å; A34-I38 PolarHBondContact O-N 3.5Å
35	S	86.6	Confident	78.2	Confident	49 Å²	49	97.1 Å²	97.1	34%	0.343	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-41.5	175.2	33	0	0	0	0	112.6	L31 D32 K37 I38 I39	L31-S35 PolarHBondContact O-N 2.96Å; L31-S35 PolarHBondContact O-OG 3.5Å; D32-S35 VanDerWaalsContact CA-OG 3.23Å; D32-S35 WeakPolarHBondContact CA-OG 3.41Å; D32-S35 PolarHBondContact O-N 3.36Å; D32-S35 PolarHBondContact O-OG 2.77Å; S35-K37 VanDerWaalsContact C-N 3.31Å; S35-K37 PolarHBondContact O-N 3.37Å; S35-I38 PolarHBondContact O-N 3.16Å; S35-I39 VanDerWaalsContact O-CG1 3.28Å; S35-I39 WeakPolarHBondContact O-CG1 3.37Å; S35-I39 PolarHBondContact O-N 2.84Å
36	L	88.9	Confident	80.7	Confident	99 Å²	99	97.2 Å²	97.2	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-61.1	-41.4	173.8	-72.9	169.8	0	0	0	111.3	D32 V33 I39 E40	D32-L36 WeakPolarHBondContact O-CB 3.16Å; D32-L36 VanDerWaalsContact O-CG 3.23Å; D32-L36 WeakPolarHBondContact O-CG 3.23Å; D32-L36 PolarHBondContact O-N 3.45Å; V33-L36 PolarHBondContact O-N 2.85Å; L36-I39 PolarHBondContact O-N 3.31Å; L36-E40 WeakPolarHBondContact O-CB 3.39Å; L36-E40 PolarHBondContact O-N 2.92Å
37	K	91.4	Very high	83.1	Confident	100 Å²	100	96.7 Å²	96.7	44%	0.435	51%	0.511	S	S	.	.	H	α-helix	trans	-67	-39.5	178	-168.4	61.1	179.5	178.2	0	112.4	V33 A34 S35 I39 E40 L41	V33-K37 WeakPolarHBondContact O-CB 3.45Å; V33-K37 PolarHBondContact O-N 2.89Å; A34-K37 PolarHBondContact O-N 3.43Å; S35-K37 VanDerWaalsContact C-N 3.31Å; S35-K37 PolarHBondContact O-N 3.37Å; K37-I39 VanDerWaalsContact C-N 3.33Å; K37-E40 VanDerWaalsContact CD-OE2 3.3Å; K37-E40 WeakPolarHBondContact CD-OE2 3.32Å; K37-E40 IonicContact NZ-OE1 2.8Å; K37-E40 IonicContact NZ-OE2 3.55Å; K37-E40 PolarHBondContact NZ-OE2 2.86Å; K37-E40 PolarHBondContact O-N 3.39Å; K37-L41 HydrophobicContact CD-CG 4.48Å; K37-L41 HydrophobicContact CG-CD1 4.12Å; K37-L41 HydrophobicContact CG-CG 4.38Å; K37-L41 WeakPolarHBondContact O-CB 3.38Å; K37-L41 VanDerWaalsContact O-CG 3.27Å; K37-L41 WeakPolarHBondContact O-CG 3.33Å; K37-L41 PolarHBondContact O-N 3.04Å
38	I	93.4	Very high	85.5	Confident	108 Å²	108	94.7 Å²	94.7	55%	0.554	50%	0.5	S	S	*	.	H	α-helix	trans	-62.3	-42.3	174.6	-69.4	165.1	0	0	0	110.6	A34 S35 S42	A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.26Å; A34-I38 PolarHBondContact O-N 3.5Å; S35-I38 PolarHBondContact O-N 3.16Å; I38-S42 WeakPolarHBondContact O-CB 3.37Å; I38-S42 PolarHBondContact O-N 2.68Å; I38-S42 PolarHBondContact O-OG 3.34Å
39	I	92.8	Very high	87.9	Confident	105 Å²	105	94.8 Å²	94.8	54%	0.538	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-45.2	176.4	-67.4	164.8	0	0	0	110.8	S35 L36 K37 S42 K43	S35-I39 VanDerWaalsContact O-CG1 3.28Å; S35-I39 WeakPolarHBondContact O-CG1 3.37Å; S35-I39 PolarHBondContact O-N 2.84Å; L36-I39 PolarHBondContact O-N 3.31Å; K37-I39 VanDerWaalsContact C-N 3.33Å; I39-S42 PolarHBondContact O-N 2.91Å; I39-K43 WeakPolarHBondContact O-CB 3.24Å; I39-K43 PolarHBondContact O-N 3.31Å
40	E	91.9	Very high	89.7	Confident	111 Å²	111	92.7 Å²	92.7	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-61	-48.5	178.1	-168.5	-163.6	176.8	0	0	111.4	L36 K37 S42 K43 K44	L36-E40 WeakPolarHBondContact O-CB 3.39Å; L36-E40 PolarHBondContact O-N 2.92Å; K37-E40 VanDerWaalsContact CD-OE2 3.3Å; K37-E40 WeakPolarHBondContact CD-OE2 3.32Å; K37-E40 IonicContact NZ-OE1 2.8Å; K37-E40 IonicContact NZ-OE2 3.55Å; K37-E40 PolarHBondContact NZ-OE2 2.86Å; K37-E40 PolarHBondContact O-N 3.39Å; E40-S42 PolarHBondContact O-N 2.82Å; E40-K43 WeakPolarHBondContact O-CB 3.24Å; E40-K43 PolarHBondContact O-N 2.81Å; E40-K44 WeakPolarHBondContact O-CB 3.48Å; E40-K44 PolarHBondContact O-N 3.37Å
41	L	94.7	Very high	91.3	Very high	90 Å²	90	92.5 Å²	92.5	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-41.8	176.9	-70.4	174.8	0	0	0	111.5	K37 K43 K44 I45	K37-L41 HydrophobicContact CD-CG 4.48Å; K37-L41 HydrophobicContact CG-CD1 4.12Å; K37-L41 HydrophobicContact CG-CG 4.38Å; K37-L41 WeakPolarHBondContact O-CB 3.38Å; K37-L41 VanDerWaalsContact O-CG 3.27Å; K37-L41 WeakPolarHBondContact O-CG 3.33Å; K37-L41 PolarHBondContact O-N 3.04Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.88Å; L41-K44 PolarHBondContact O-N 3.14Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 3.24Å
42	S	95.8	Very high	92.7	Very high	48 Å²	48	90.5 Å²	90.5	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-33.9	176.3	-62.7	0	0	0	0	112.5	I38 I39 E40 R46	I38-S42 WeakPolarHBondContact O-CB 3.37Å; I38-S42 PolarHBondContact O-N 2.68Å; I38-S42 PolarHBondContact O-OG 3.34Å; I39-S42 PolarHBondContact O-N 2.91Å; E40-S42 PolarHBondContact O-N 2.82Å; S42-R46 WeakPolarHBondContact O-CG 3.49Å; S42-R46 PolarHBondContact O-N 3.42Å; S42-R46 PolarHBondContact O-NE 3.36Å; S42-R46 VanDerWaalsContact O-NE 3.09Å
43	K	96.2	Very high	93.4	Very high	119 Å²	119	89.6 Å²	89.6	52%	0.517	48%	0.475	S	S	.	.	H	α-helix	trans	-69.5	-44.7	172.2	-173.9	-178.9	176.3	-174.6	0	110.5	I39 E40 L41 I45 R46 E47	I39-K43 WeakPolarHBondContact O-CB 3.24Å; I39-K43 PolarHBondContact O-N 3.31Å; E40-K43 WeakPolarHBondContact O-CB 3.24Å; E40-K43 PolarHBondContact O-N 2.81Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.88Å; K43-I45 VanDerWaalsContact C-N 3.35Å; K43-I45 PolarHBondContact O-N 2.94Å; K43-R46 PolarHBondContact O-N 3.06Å; K43-E47 VanDerWaalsContact CE-OE1 3.29Å; K43-E47 WeakPolarHBondContact CE-OE1 3.42Å; K43-E47 WeakPolarHBondContact O-CG 3.27Å; K43-E47 PolarHBondContact O-N 3.36Å
44	K	96.5	Very high	94	Very high	106 Å²	106	88.4 Å²	88.4	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-40.7	177.9	-173.8	59.9	178	-179.4	0	112.5	E40 L41 E47 L48	E40-K44 WeakPolarHBondContact O-CB 3.48Å; E40-K44 PolarHBondContact O-N 3.37Å; L41-K44 PolarHBondContact O-N 3.14Å; K44-E47 PolarHBondContact O-N 2.79Å; K44-L48 HydrophobicContact CD-CG 4.45Å; K44-L48 HydrophobicContact CG-CD1 4.17Å; K44-L48 HydrophobicContact CG-CG 4.49Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 WeakPolarHBondContact O-CG 3.23Å; K44-L48 PolarHBondContact O-N 3.14Å
45	I	97	Very high	94.1	Very high	99 Å²	99	89.7 Å²	89.7	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-61.8	-44	175.1	-71.7	166	0	0	0	110.6	L41 K43 L48 N49	L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 VanDerWaalsContact O-CG1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 3.24Å; K43-I45 VanDerWaalsContact C-N 3.35Å; K43-I45 PolarHBondContact O-N 2.94Å; I45-L48 PolarHBondContact O-N 2.84Å; I45-N49 WeakPolarHBondContact O-CB 3.46Å; I45-N49 PolarHBondContact O-N 2.73Å; I45-N49 PolarHBondContact O-ND2 3.5Å
46	R	95.7	Very high	94.5	Very high	164 Å²	164	95 Å²	95	62%	0.619	48%	0.481	S	S	*	.	H	α-helix	trans	-62.6	-42.9	175.7	-79.1	179.5	-84.4	156.8	-12.5	112.3	S42 K43 N49 A50	S42-R46 WeakPolarHBondContact O-CG 3.49Å; S42-R46 PolarHBondContact O-N 3.42Å; S42-R46 PolarHBondContact O-NE 3.36Å; S42-R46 VanDerWaalsContact O-NE 3.09Å; K43-R46 PolarHBondContact O-N 3.06Å; R46-N49 PolarHBondContact O-N 3.21Å; R46-A50 WeakPolarHBondContact O-CB 3.31Å; R46-A50 PolarHBondContact O-N 2.86Å
47	E	96.4	Very high	94.8	Very high	95 Å²	95	94.6 Å²	94.6	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-63.1	-44.5	175.5	-73.4	172.3	-170.9	0	0	112.2	K43 K44 A50 A51	K43-E47 VanDerWaalsContact CE-OE1 3.29Å; K43-E47 WeakPolarHBondContact CE-OE1 3.42Å; K43-E47 WeakPolarHBondContact O-CG 3.27Å; K43-E47 PolarHBondContact O-N 3.36Å; K44-E47 PolarHBondContact O-N 2.79Å; E47-A50 PolarHBondContact O-N 2.9Å; E47-A51 WeakPolarHBondContact O-CB 3.37Å; E47-A51 PolarHBondContact O-N 3.32Å
48	L	96	Very high	95	Very high	95 Å²	95	96.9 Å²	96.9	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-64.2	-41.8	177.2	-74.5	173.4	0	0	0	111.7	K44 I45 A51 L52	K44-L48 HydrophobicContact CD-CG 4.45Å; K44-L48 HydrophobicContact CG-CD1 4.17Å; K44-L48 HydrophobicContact CG-CG 4.49Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 WeakPolarHBondContact O-CG 3.23Å; K44-L48 PolarHBondContact O-N 3.14Å; I45-L48 PolarHBondContact O-N 2.84Å; L48-A51 PolarHBondContact O-N 2.82Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 3.38Å
49	N	96.3	Very high	94.9	Very high	90 Å²	90	95 Å²	95	48%	0.481	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-40.8	175	-81.2	-26.7	0	0	0	112	I45 R46 A51 L52 V53	I45-N49 WeakPolarHBondContact O-CB 3.46Å; I45-N49 PolarHBondContact O-N 2.73Å; I45-N49 PolarHBondContact O-ND2 3.5Å; R46-N49 PolarHBondContact O-N 3.21Å; N49-A51 VanDerWaalsContact C-N 3.35Å; N49-A51 PolarHBondContact O-N 2.86Å; N49-L52 PolarHBondContact O-N 3.43Å; N49-V53 WeakPolarHBondContact O-CG2 3.25Å; N49-V53 PolarHBondContact O-N 2.72Å
50	A	96.2	Very high	95	Very high	64 Å²	64	94.3 Å²	94.3	53%	0.529	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-41	174.4	0	0	0	0	0	112.1	R46 E47 S54	R46-A50 WeakPolarHBondContact O-CB 3.31Å; R46-A50 PolarHBondContact O-N 2.86Å; E47-A50 PolarHBondContact O-N 2.9Å; A50-S54 PolarHBondContact O-N 3.3Å; A50-S54 PolarHBondContact O-OG 2.95Å
51	A	95.7	Very high	95.1	Very high	48 Å²	48	93.7 Å²	93.7	40%	0.397	48%	0.479	S	S	.	.	H	α-helix	trans	-65.7	-40.1	174.3	0	0	0	0	0	112.2	E47 L48 N49 S54 E55	E47-A51 WeakPolarHBondContact O-CB 3.37Å; E47-A51 PolarHBondContact O-N 3.32Å; L48-A51 PolarHBondContact O-N 2.82Å; N49-A51 VanDerWaalsContact C-N 3.35Å; N49-A51 PolarHBondContact O-N 2.86Å; A51-S54 PolarHBondContact O-N 2.73Å; A51-S54 PolarHBondContact O-OG 2.87Å; A51-E55 WeakPolarHBondContact O-CB 3.25Å; A51-E55 WeakPolarHBondContact O-CG 3.34Å; A51-E55 PolarHBondContact O-N 3.21Å
52	L	94.3	Very high	95	Very high	73 Å²	73	93.9 Å²	93.9	38%	0.382	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-43.2	178.3	-163.5	163.3	0	0	0	111.1	L48 N49 E55 R56	L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 3.38Å; N49-L52 PolarHBondContact O-N 3.43Å; L52-E55 PolarHBondContact O-N 2.88Å; L52-R56 HydrophobicContact CD2-CG 4.15Å; L52-R56 PolarHBondContact O-N 2.76Å
53	V	95.9	Very high	94.9	Very high	78 Å²	78	94.4 Å²	94.4	47%	0.473	48%	0.483	S	S	.	.	H	α-helix	trans	-64.8	-43.9	175.9	171.8	0	0	0	0	111.6	N49 E55 R56 N57	N49-V53 WeakPolarHBondContact O-CG2 3.25Å; N49-V53 PolarHBondContact O-N 2.72Å; V53-E55 VanDerWaalsContact C-N 3.29Å; V53-E55 PolarHBondContact O-N 2.92Å; V53-R56 PolarHBondContact O-N 3.46Å; V53-N57 PolarHBondContact O-N 3.43Å
54	S	93.5	Very high	94.6	Very high	66 Å²	66	93.2 Å²	93.2	46%	0.462	48%	0.479	S	S	.	.	H	α-helix	trans	-64.2	-36	178.3	71.1	0	0	0	0	112	A50 A51 N57 R58	A50-S54 PolarHBondContact O-N 3.3Å; A50-S54 PolarHBondContact O-OG 2.95Å; A51-S54 PolarHBondContact O-N 2.73Å; A51-S54 PolarHBondContact O-OG 2.87Å; S54-N57 PolarHBondContact O-N 2.83Å; S54-R58 PolarHBondContact O-N 2.9Å
55	E	90.9	Very high	94.6	Very high	76 Å²	76	91.8 Å²	91.8	36%	0.355	48%	0.479	S	S	.	.	H	α-helix	trans	-70.6	-39.5	174.1	-74.9	-58	165	0	0	113.6	A51 L52 V53 N57 R58 C59 K96	A51-E55 WeakPolarHBondContact O-CB 3.25Å; A51-E55 WeakPolarHBondContact O-CG 3.34Å; A51-E55 PolarHBondContact O-N 3.21Å; L52-E55 PolarHBondContact O-N 2.88Å; V53-E55 VanDerWaalsContact C-N 3.29Å; V53-E55 PolarHBondContact O-N 2.92Å; E55-N57 VanDerWaalsContact C-N 3.3Å; E55-N57 PolarHBondContact O-N 3.43Å; E55-R58 PolarHBondContact O-N 3.38Å; E55-C59 WeakPolarHBondContact O-CB 3.31Å; E55-C59 PolarHBondContact O-N 2.94Å; E55-K96 IonicContact OE1-NZ 3.13Å; E55-K96 PolarHBondContact OE1-NZ 3.32Å; E55-K96 WeakPolarHBondContact OE2-CE 3.37Å; E55-K96 IonicContact OE2-NZ 3.86Å; E55-K96 PolarHBondContact OE2-NZ 2.87Å
56	R	95.1	Very high	94.4	Very high	162 Å²	162	90.5 Å²	90.5	61%	0.611	48%	0.475	S	S	*	.	H	α-helix	trans	-59.9	-42.1	171.3	-80.9	-173.4	176.2	138.3	1.1	111.6	L52 V53 C59 N60	L52-R56 HydrophobicContact CD2-CG 4.15Å; L52-R56 PolarHBondContact O-N 2.76Å; V53-R56 PolarHBondContact O-N 3.46Å; R56-C59 PolarHBondContact O-N 2.87Å; R56-N60 WeakPolarHBondContact O-CB 3.35Å; R56-N60 VanDerWaalsContact O-CG 3.27Å; R56-N60 PolarHBondContact O-N 3.33Å; R56-N60 PolarHBondContact O-ND2 2.88Å
57	N	94.9	Very high	94.2	Very high	89 Å²	89	89.7 Å²	89.7	48%	0.476	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.6	-72.4	-18.5	0	0	0	112	V53 S54 E55 C59 N60 N61	V53-N57 PolarHBondContact O-N 3.43Å; S54-N57 PolarHBondContact O-N 2.83Å; E55-N57 VanDerWaalsContact C-N 3.3Å; E55-N57 PolarHBondContact O-N 3.43Å; N57-C59 PolarHBondContact O-N 3.18Å; N57-N60 PolarHBondContact O-N 3.42Å; N57-N61 WeakPolarHBondContact O-CB 3.39Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 3.39Å; N57-N61 PolarHBondContact O-ND2 3.44Å
58	R	95.1	Very high	93.9	Very high	148 Å²	148	92 Å²	92	56%	0.558	48%	0.481	S	S	*	.	H	α-helix	trans	-61.6	-43.1	174.3	-172.5	-178.7	173.9	95	0.6	111.6	S54 E55 N61 L62	S54-R58 PolarHBondContact O-N 2.9Å; E55-R58 PolarHBondContact O-N 3.38Å; R58-N61 PolarHBondContact O-N 2.76Å; R58-L62 HydrophobicContact CG-CD1 4.29Å; R58-L62 WeakPolarHBondContact O-CG 3.2Å; R58-L62 PolarHBondContact O-N 3.15Å
59	C	93.1	Very high	93.3	Very high	69 Å²	69	92.1 Å²	92.1	47%	0.466	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.9	-170.7	0	0	0	0	111.7	E55 R56 N57 N61 L62 C63	E55-C59 WeakPolarHBondContact O-CB 3.31Å; E55-C59 PolarHBondContact O-N 2.94Å; R56-C59 PolarHBondContact O-N 2.87Å; N57-C59 PolarHBondContact O-N 3.18Å; C59-N61 PolarHBondContact O-N 2.91Å; C59-L62 PolarHBondContact O-N 3.44Å; C59-C63 WeakPolarHBondContact O-CB 3.49Å; C59-C63 PolarHBondContact O-N 3.37Å; C59-C63 PolarHBondContact O-SG 2.8Å
60	N	93.9	Very high	92.8	Very high	91 Å²	91	93.4 Å²	93.4	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-42.8	175.6	-74	-23.3	0	0	0	111.9	R56 N57 C63 Q64	R56-N60 WeakPolarHBondContact O-CB 3.35Å; R56-N60 VanDerWaalsContact O-CG 3.27Å; R56-N60 PolarHBondContact O-N 3.33Å; R56-N60 PolarHBondContact O-ND2 2.88Å; N57-N60 PolarHBondContact O-N 3.42Å; N60-C63 PolarHBondContact O-N 2.97Å; N60-Q64 WeakPolarHBondContact O-CG 3.49Å; N60-Q64 PolarHBondContact O-N 3.47Å
61	N	93.5	Very high	92	Very high	97 Å²	97	93.8 Å²	93.8	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-62.1	-45	174.9	-72.2	-18	0	0	0	111.6	N57 R58 C59 Q64 V65	N57-N61 WeakPolarHBondContact O-CB 3.39Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 3.39Å; N57-N61 PolarHBondContact O-ND2 3.44Å; R58-N61 PolarHBondContact O-N 2.76Å; C59-N61 PolarHBondContact O-N 2.91Å; N61-Q64 WeakPolarHBondContact O-CB 3.22Å; N61-Q64 PolarHBondContact O-N 3.49Å; N61-V65 WeakPolarHBondContact O-CG2 3.28Å; N61-V65 PolarHBondContact O-N 2.87Å
62	L	93.1	Very high	91.5	Very high	94 Å²	94	97 Å²	97	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-42.8	175.7	-72.6	169.3	0	0	0	111.6	R58 C59 Q64 V65 V66	R58-L62 HydrophobicContact CG-CD1 4.29Å; R58-L62 WeakPolarHBondContact O-CG 3.2Å; R58-L62 PolarHBondContact O-N 3.15Å; C59-L62 PolarHBondContact O-N 3.44Å; L62-Q64 VanDerWaalsContact C-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.31Å; L62-V65 PolarHBondContact O-N 2.89Å; L62-V65 VanDerWaalsContact O-N 3.12Å; L62-V66 WeakPolarHBondContact O-CG2 3.22Å; L62-V66 PolarHBondContact O-N 3.41Å
63	C	92.7	Very high	90.2	Very high	59 Å²	59	97 Å²	97	40%	0.399	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-30.7	175.6	-70.3	0	0	0	0	112.8	C59 N60 R67	C59-C63 WeakPolarHBondContact O-CB 3.49Å; C59-C63 PolarHBondContact O-N 3.37Å; C59-C63 PolarHBondContact O-SG 2.8Å; N60-C63 PolarHBondContact O-N 2.97Å; C63-R67 PolarHBondContact O-N 3.37Å; C63-R67 VanDerWaalsContact O-N 3.15Å; C63-R67 PolarHBondContact O-NE 3.32Å
64	Q	91.7	Very high	89.1	Confident	95 Å²	95	95.6 Å²	95.6	44%	0.444	49%	0.493	S	S	.	.	H	α-helix	trans	-71.8	-41.6	171.5	-72.9	179.5	7.8	0	0	111.8	N60 N61 L62 R67 K68	N60-Q64 WeakPolarHBondContact O-CG 3.49Å; N60-Q64 PolarHBondContact O-N 3.47Å; N61-Q64 WeakPolarHBondContact O-CB 3.22Å; N61-Q64 PolarHBondContact O-N 3.49Å; L62-Q64 VanDerWaalsContact C-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.31Å; Q64-R67 PolarHBondContact O-N 2.99Å; Q64-K68 WeakPolarHBondContact O-CG 3.38Å; Q64-K68 PolarHBondContact O-N 2.9Å
65	V	95.6	Very high	87.7	Confident	75 Å²	75	96 Å²	96	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-45.3	175.8	172.1	0	0	0	0	110.8	N61 L62 R67 K68 L69	N61-V65 WeakPolarHBondContact O-CG2 3.28Å; N61-V65 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 2.89Å; L62-V65 VanDerWaalsContact O-N 3.12Å; V65-R67 PolarHBondContact O-N 2.95Å; V65-K68 WeakPolarHBondContact O-CB 3.24Å; V65-K68 PolarHBondContact O-N 3.24Å; V65-K68 VanDerWaalsContact O-N 3.15Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 HydrophobicContact CG1-CG 4.39Å; V65-L69 WeakPolarHBondContact O-CG 3.34Å; V65-L69 PolarHBondContact O-N 2.9Å
66	V	92.6	Very high	86.3	Confident	72 Å²	72	98.9 Å²	98.9	44%	0.436	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-46.8	176.1	171.7	0	0	0	0	110.5	L62 K68 L69 E70	L62-V66 WeakPolarHBondContact O-CG2 3.22Å; L62-V66 PolarHBondContact O-N 3.41Å; V66-K68 VanDerWaalsContact C-N 3.31Å; V66-K68 PolarHBondContact O-N 3.37Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-E70 HydrophobicContact CG1-CG 4.16Å; V66-E70 WeakPolarHBondContact CG1-OE1 3.28Å; V66-E70 WeakPolarHBondContact O-CB 3.35Å; V66-E70 VanDerWaalsContact O-CG 3.27Å; V66-E70 WeakPolarHBondContact O-CG 3.4Å; V66-E70 PolarHBondContact O-N 3.43Å
67	R	91	Very high	84.4	Confident	148 Å²	148	95 Å²	95	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-59.9	-37	174.5	-91.3	-178.9	-72.4	152.1	-8.7	113.8	C63 Q64 V65 S71	C63-R67 PolarHBondContact O-N 3.37Å; C63-R67 VanDerWaalsContact O-N 3.15Å; C63-R67 PolarHBondContact O-NE 3.32Å; Q64-R67 PolarHBondContact O-N 2.99Å; V65-R67 PolarHBondContact O-N 2.95Å; R67-S71 WeakPolarHBondContact O-CB 3.3Å; R67-S71 PolarHBondContact O-N 2.89Å; R67-S71 PolarHBondContact O-OG 3.44Å
68	K	90.2	Very high	82.1	Confident	142 Å²	142	97.4 Å²	97.4	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-66	-44.5	175	-74.8	178.8	-178.7	-176.4	0	111.3	Q64 V65 V66 S71 E72	Q64-K68 WeakPolarHBondContact O-CG 3.38Å; Q64-K68 PolarHBondContact O-N 2.9Å; V65-K68 WeakPolarHBondContact O-CB 3.24Å; V65-K68 PolarHBondContact O-N 3.24Å; V65-K68 VanDerWaalsContact O-N 3.15Å; V66-K68 VanDerWaalsContact C-N 3.31Å; V66-K68 PolarHBondContact O-N 3.37Å; K68-S71 WeakPolarHBondContact CA-OG 3.45Å; K68-S71 PolarHBondContact O-N 3.43Å; K68-S71 PolarHBondContact O-OG 2.79Å; K68-E72 WeakPolarHBondContact O-CB 3.35Å; K68-E72 PolarHBondContact O-N 3.27Å
69	L	84.2	Confident	79.7	Confident	99 Å²	99	99.1 Å²	99.1	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-67.9	-35.8	176.5	-68.1	173.8	0	0	0	112.3	V65 V66 E72 S73	V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 HydrophobicContact CG1-CG 4.39Å; V65-L69 WeakPolarHBondContact O-CG 3.34Å; V65-L69 PolarHBondContact O-N 2.9Å; V66-L69 PolarHBondContact O-N 2.96Å; L69-E72 PolarHBondContact O-N 2.88Å; L69-S73 WeakPolarHBondContact O-CB 3.27Å; L69-S73 PolarHBondContact O-N 3.46Å
70	E	85.5	Confident	77.1	Confident	117 Å²	117	102.5 Å²	102.5	55%	0.547	55%	0.548	S	S	.	.	H	α-helix	trans	-66.7	-38	174	-74.7	173.2	165.3	0	0	111.4	V66 A74	V66-E70 HydrophobicContact CG1-CG 4.16Å; V66-E70 WeakPolarHBondContact CG1-OE1 3.28Å; V66-E70 WeakPolarHBondContact O-CB 3.35Å; V66-E70 VanDerWaalsContact O-CG 3.27Å; V66-E70 WeakPolarHBondContact O-CG 3.4Å; V66-E70 PolarHBondContact O-N 3.43Å; E70-A74 WeakPolarHBondContact O-CB 3.43Å; E70-A74 PolarHBondContact O-N 2.83Å
71	S	80.1	Confident	74.4	Confident	71 Å²	71	104.2 Å²	104.2	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-73.8	-35	174.7	46.1	0	0	0	0	112.9	R67 K68 S75	R67-S71 WeakPolarHBondContact O-CB 3.3Å; R67-S71 PolarHBondContact O-N 2.89Å; R67-S71 PolarHBondContact O-OG 3.44Å; K68-S71 WeakPolarHBondContact CA-OG 3.45Å; K68-S71 PolarHBondContact O-N 3.43Å; K68-S71 PolarHBondContact O-OG 2.79Å; S71-S75 WeakPolarHBondContact O-CB 2.99Å; S71-S75 PolarHBondContact O-N 2.97Å; S71-S75 PolarHBondContact O-OG 3.16Å
72	E	85.6	Confident	71.6	Confident	115 Å²	115	107 Å²	107	54%	0.537	58%	0.575	S	S	.	*	H	α-helix	trans	-66.4	-41.7	170.9	-168.5	170.8	-174	0	0	111.3	K68 L69 S75 L76	K68-E72 WeakPolarHBondContact O-CB 3.35Å; K68-E72 PolarHBondContact O-N 3.27Å; L69-E72 PolarHBondContact O-N 2.88Å; E72-S75 VanDerWaalsContact CA-OG 3.3Å; E72-S75 WeakPolarHBondContact CA-OG 3.25Å; E72-S75 PolarHBondContact O-N 2.67Å; E72-S75 PolarHBondContact O-OG 2.85Å; E72-L76 HydrophobicContact CG-CD1 4.43Å; E72-L76 VanDerWaalsContact O-CD1 3.27Å; E72-L76 WeakPolarHBondContact O-CD1 3.26Å; E72-L76 PolarHBondContact O-N 3.32Å
73	S	65.9	Low	69.1	Low	75 Å²	75	108 Å²	108	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-67.9	-40.8	174.3	-173.7	0	0	0	0	111.9	L69 S75 L76 S77	L69-S73 WeakPolarHBondContact O-CB 3.27Å; L69-S73 PolarHBondContact O-N 3.46Å; S73-S75 VanDerWaalsContact C-N 3.32Å; S73-S75 PolarHBondContact O-N 2.95Å; S73-L76 PolarHBondContact O-N 3.46Å; S73-S77 WeakPolarHBondContact O-CB 3.25Å; S73-S77 PolarHBondContact O-N 3.45Å
74	A	72.6	Confident	66.1	Low	47 Å²	47	110.4 Å²	110.4	39%	0.388	61%	0.606	S	S	.	*	H	α-helix	trans	-64.8	-36.4	175	0	0	0	0	0	112	E70 S77 N78	E70-A74 WeakPolarHBondContact O-CB 3.43Å; E70-A74 PolarHBondContact O-N 2.83Å; A74-S77 PolarHBondContact O-N 3.05Å; A74-N78 VanDerWaalsContact O-CG 3.22Å; A74-N78 PolarHBondContact O-N 3.24Å; A74-N78 PolarHBondContact O-ND2 2.97Å
75	S	64.5	Low	63.3	Low	75 Å²	75	113.9 Å²	113.9	52%	0.524	63%	0.627	S	S	.	*	H	α-helix	trans	-71.9	-30.8	174.7	47.8	0	0	0	0	113	S71 E72 S73	S71-S75 WeakPolarHBondContact O-CB 2.99Å; S71-S75 PolarHBondContact O-N 2.97Å; S71-S75 PolarHBondContact O-OG 3.16Å; E72-S75 VanDerWaalsContact CA-OG 3.3Å; E72-S75 WeakPolarHBondContact CA-OG 3.25Å; E72-S75 PolarHBondContact O-N 2.67Å; E72-S75 PolarHBondContact O-OG 2.85Å; S73-S75 VanDerWaalsContact C-N 3.32Å; S73-S75 PolarHBondContact O-N 2.95Å
76	L	61.2	Low	60.3	Low	136 Å²	136	116 Å²	116	71%	0.712	64%	0.644	S	S	*	*	H	α-helix	trans	-70.3	-36.2	167.4	-96.6	85.8	0	0	0	112.8	E72 S73	E72-L76 HydrophobicContact CG-CD1 4.43Å; E72-L76 VanDerWaalsContact O-CD1 3.27Å; E72-L76 WeakPolarHBondContact O-CD1 3.26Å; E72-L76 PolarHBondContact O-N 3.32Å; S73-L76 PolarHBondContact O-N 3.46Å
77	S	55.6	Low	57.3	Low	80 Å²	80	121.8 Å²	121.8	56%	0.559	66%	0.663	S	S	*	*	H	α-helix	trans	-76.9	-23.3	-176.3	180	0	0	0	0	113.6	S73 A74 K79 D80	S73-S77 WeakPolarHBondContact O-CB 3.25Å; S73-S77 PolarHBondContact O-N 3.45Å; A74-S77 PolarHBondContact O-N 3.05Å; S77-K79 PolarHBondContact O-N 3.47Å; S77-D80 PolarHBondContact O-N 2.93Å
78	N	45.8	Very low	54.7	Low	141 Å²	141	123.2 Å²	123.2	75%	0.754	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	10.8	176.8	-80	-18.5	0	0	0	115.1	A74	A74-N78 VanDerWaalsContact O-CG 3.22Å; A74-N78 PolarHBondContact O-N 3.24Å; A74-N78 PolarHBondContact O-ND2 2.97Å
79	K	45.4	Very low	51.9	Low	183 Å²	183	123.6 Å²	123.6	80%	0.796	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-7.9	170.1	-83.7	-171.2	175.2	177.8	0	115.3	S77	S77-K79 PolarHBondContact O-N 3.47Å
80	D	38.4	Very low	49.2	Very low	140 Å²	140	128 Å²	128	75%	0.749	70%	0.7	S	S	*	*	S	Bend	trans	-138.6	108.8	176.8	-74.7	-52.6	0	0	0	112.8	S77	S77-D80 PolarHBondContact O-N 2.93Å
81	V	37.7	Very low	46.7	Very low	128 Å²	128	129.8 Å²	129.8	78%	0.776	71%	0.712	S	S	*	*			trans	29.7	101.1	145.8	-170.1	0	0	0	0	118.1
82	I	33.2	Very low	44.1	Very low	155 Å²	155	131.6 Å²	131.6	80%	0.795	72%	0.72	S	S	*	*			trans	36.2	96.6	132.5	-47.4	173.3	0	0	0	116.5
83	C	42.1	Very low	41.4	Very low	116 Å²	116	130.7 Å²	130.7	78%	0.784	73%	0.732	S	S	*	*			trans	-146	84.6	139.3	-166.5	0	0	0	0	109.6	L85	C83-L85 PolarHBondContact O-N 3.29Å
84	S	29.1	Very low	39.7	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	74%	0.743	S	S	*	*			trans	-72.2	105.6	164.9	48.5	0	0	0	0	108.6
85	L	32.9	Very low	38.1	Very low	168 Å²	168	139.5 Å²	139.5	88%	0.88	76%	0.761	S	S	*	*			trans	155.7	61.6	142	-163.4	68.8	0	0	0	111.5	C83	C83-L85 PolarHBondContact O-N 3.29Å
86	C	33.2	Very low	36.5	Very low	120 Å²	120	142 Å²	142	81%	0.811	76%	0.763	S	S	*	*			trans	-144.4	60.2	157.7	53	0	0	0	0	109.4
87	K	29.8	Very low	35.9	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	76%	0.764	S	S	*	*			trans	-108.2	103.7	162	-81.8	-178.6	176.5	175.6	0	106.8
88	Q	36.3	Very low	35.2	Very low	178 Å²	178	145 Å²	145	83%	0.832	77%	0.772	S	S	*	*			trans	-171.6	130.7	152.9	-101.7	144.9	19.9	0	0	110.8
89	N	30.3	Very low	35.1	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	77%	0.765	S	S	*	*			trans	78.2	107.1	159.9	-50.1	-16.6	0	0	0	115.5
90	K	26.9	Very low	35.6	Very low	193 Å²	193	139.2 Å²	139.2	84%	0.839	75%	0.752	S	S	*	*			cis	69.5	82.7	25.7	-150.2	-175.5	-172.2	-174.5	0	116.1
91	I	33.4	Very low	36.6	Very low	154 Å²	154	137.1 Å²	137.1	79%	0.79	75%	0.749	S	S	*	*			trans	-150.4	112.2	153.8	-57.8	-176.8	0	0	0	104.4
92	T	26.4	Very low	37.8	Very low	109 Å²	109	137.6 Å²	137.6	67%	0.669	74%	0.743	S	S	*	*				82.1	127.3	50.7	65.4	0	0	0	0	115.4
93	A	29.6	Very low	39.2	Very low	95 Å²	95	133 Å²	133	79%	0.785	73%	0.725	S	S	*	*			trans	77.1	144.9	154.5	0	0	0	0	0	115.2
94	N	28.4	Very low	40.8	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	70%	0.703	S	S	*	*			cis	-170.3	174.6	-1.6	-142.5	11.9	0	0	0	107.2
95	E	39.5	Very low	43.1	Very low	166 Å²	166	126 Å²	126	78%	0.776	69%	0.685	S	S	*	*			trans	83.9	90.7	156.5	-71.7	173.5	-164	0	0	119
96	K	32.2	Very low	45.1	Very low	128 Å²	128	123.1 Å²	123.1	56%	0.557	67%	0.667	S	S	*	*			trans	-52.6	127.1	152.5	-58.4	174.2	176.7	-138	0	111.5	E55	E55-K96 IonicContact OE1-NZ 3.13Å; E55-K96 PolarHBondContact OE1-NZ 3.32Å; E55-K96 WeakPolarHBondContact OE2-CE 3.37Å; E55-K96 IonicContact OE2-NZ 3.86Å; E55-K96 PolarHBondContact OE2-NZ 2.87Å
97	I	46.7	Very low	47.4	Very low	145 Å²	145	121.9 Å²	121.9	74%	0.744	65%	0.649	S	S	*	*			trans	-135.1	108.4	144.2	-65.2	179.9	0	0	0	107.1	N99	I97-N99 PolarHBondContact O-N 3.01Å
98	D	42	Very low	50.1	Low	134 Å²	134	119.6 Å²	119.6	72%	0.717	64%	0.639	S	S	*	*	S	Bend	trans	33.1	3	152.3	-133.6	4.9	0	0	0	123.7	T100	D98-T100 PolarHBondContact O-N 3.11Å
99	N	44.5	Very low	52.6	Low	114 Å²	114	118.4 Å²	118.4	61%	0.61	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	4.8	169	-64.9	-24.6	0	0	0	111.6	I97 S101 E102 S103	I97-N99 PolarHBondContact O-N 3.01Å; N99-S101 VanDerWaalsContact C-N 3.27Å; N99-S101 PolarHBondContact O-N 3.03Å; N99-E102 PolarHBondContact O-N 3.38Å; N99-S103 WeakPolarHBondContact O-CB 3.3Å; N99-S103 PolarHBondContact O-N 3.07Å
100	T	55.3	Low	55.4	Low	87 Å²	87	115.8 Å²	115.8	53%	0.534	62%	0.616	S	S	.	*	H	α-helix	trans	-63.7	-27.9	-176.3	56.2	0	0	0	0	113.5	D98 A104	D98-T100 PolarHBondContact O-N 3.11Å; T100-A104 WeakPolarHBondContact O-CB 3.28Å; T100-A104 PolarHBondContact O-N 2.86Å
101	S	58.8	Low	58.5	Low	96 Å²	96	112 Å²	112	67%	0.671	60%	0.6	S	S	*	*	H	α-helix	trans	-71.8	-44.4	176.1	-64.3	0	0	0	0	111.9	N99 G105	N99-S101 VanDerWaalsContact C-N 3.27Å; N99-S101 PolarHBondContact O-N 3.03Å; S101-G105 PolarHBondContact O-N 3.12Å
102	E	63.4	Low	61.3	Low	138 Å²	138	112.1 Å²	112.1	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-76.8	-40.3	179.7	-160.3	171.8	-161.5	0	0	111.2	N99 G105 Q106	N99-E102 PolarHBondContact O-N 3.38Å; E102-G105 CarbonylContact O-C 3.59Å; E102-G105 WeakPolarHBondContact O-CA 3.38Å; E102-G105 PolarHBondContact O-N 2.87Å; E102-G105 VanDerWaalsContact O-N 3.13Å; E102-Q106 WeakPolarHBondContact O-CB 3.39Å; E102-Q106 VanDerWaalsContact O-CG 3.31Å; E102-Q106 WeakPolarHBondContact O-CG 3.37Å; E102-Q106 PolarHBondContact O-N 3.44Å
103	S	63.3	Low	64.3	Low	60 Å²	60	113.1 Å²	113.1	42%	0.42	59%	0.593	S	S	.	*	H	α-helix	trans	-63.5	-42.2	173.5	-177.3	0	0	0	0	111.7	N99 G105 Q106 E107	N99-S103 WeakPolarHBondContact O-CB 3.3Å; N99-S103 PolarHBondContact O-N 3.07Å; S103-G105 VanDerWaalsContact C-N 3.3Å; S103-G105 PolarHBondContact O-N 2.76Å; S103-Q106 CarbonylContact O-C 3.52Å; S103-Q106 PolarHBondContact O-N 2.85Å; S103-E107 VanDerWaalsContact O-CB 3.27Å; S103-E107 WeakPolarHBondContact O-CB 3.2Å; S103-E107 PolarHBondContact O-N 3.45Å
104	A	74.2	Confident	67.3	Low	41 Å²	41	114.1 Å²	114.1	34%	0.339	58%	0.582	S	S	.	*	H	α-helix	trans	-67.2	-31.8	172.5	0	0	0	0	0	112.2	T100 K108	T100-A104 WeakPolarHBondContact O-CB 3.28Å; T100-A104 PolarHBondContact O-N 2.86Å; A104-K108 WeakPolarHBondContact O-CB 3.38Å; A104-K108 WeakPolarHBondContact O-CG 3.39Å; A104-K108 PolarHBondContact O-N 3.44Å
105	G	77.7	Confident	70.5	Confident	36 Å²	36	113.1 Å²	113.1	37%	0.371	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-46	171.3	0	0	0	0	0	112.2	S101 E102 S103 K108 K109	S101-G105 PolarHBondContact O-N 3.12Å; E102-G105 CarbonylContact O-C 3.59Å; E102-G105 WeakPolarHBondContact O-CA 3.38Å; E102-G105 PolarHBondContact O-N 2.87Å; E102-G105 VanDerWaalsContact O-N 3.13Å; S103-G105 VanDerWaalsContact C-N 3.3Å; S103-G105 PolarHBondContact O-N 2.76Å; G105-K108 PolarHBondContact O-N 2.96Å; G105-K109 WeakPolarHBondContact O-CB 3.37Å; G105-K109 PolarHBondContact O-N 3.25Å
106	Q	74.8	Confident	73.2	Confident	108 Å²	108	108.6 Å²	108.6	51%	0.505	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-42.7	175.5	-73.1	177.2	-15.9	0	0	111.1	E102 S103 K108 K109 I110	E102-Q106 WeakPolarHBondContact O-CB 3.39Å; E102-Q106 VanDerWaalsContact O-CG 3.31Å; E102-Q106 WeakPolarHBondContact O-CG 3.37Å; E102-Q106 PolarHBondContact O-N 3.44Å; S103-Q106 CarbonylContact O-C 3.52Å; S103-Q106 PolarHBondContact O-N 2.85Å; Q106-K108 PolarHBondContact O-N 2.99Å; Q106-K109 CarbonylContact O-C 3.6Å; Q106-K109 WeakPolarHBondContact O-CA 3.4Å; Q106-K109 WeakPolarHBondContact O-CB 3.28Å; Q106-K109 PolarHBondContact O-N 3.26Å; Q106-I110 WeakPolarHBondContact O-CB 3.23Å; Q106-I110 VanDerWaalsContact O-CG1 3.29Å; Q106-I110 WeakPolarHBondContact O-CG1 3.23Å; Q106-I110 PolarHBondContact O-N 3.45Å
107	E	81.2	Confident	76.1	Confident	94 Å²	94	105.2 Å²	105.2	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-39.6	177	-165	-174.7	152	0	0	111.3	S103 K109 I110 K111	S103-E107 VanDerWaalsContact O-CB 3.27Å; S103-E107 WeakPolarHBondContact O-CB 3.2Å; S103-E107 PolarHBondContact O-N 3.45Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.35Å; E107-I110 PolarHBondContact O-N 2.9Å; E107-K111 WeakPolarHBondContact O-CB 3.35Å; E107-K111 WeakPolarHBondContact O-CG 3.2Å; E107-K111 PolarHBondContact O-N 2.87Å; E107-K111 WeakPolarHBondContact OE1-CE 3.03Å; E107-K111 IonicContact OE1-NZ 2.95Å; E107-K111 PolarHBondContact OE1-NZ 3.44Å
108	K	87.6	Confident	78.3	Confident	144 Å²	144	103.8 Å²	103.8	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-38.6	169.7	-76.4	173.1	-177.3	179.2	0	112	A104 G105 Q106 K112	A104-K108 WeakPolarHBondContact O-CB 3.38Å; A104-K108 WeakPolarHBondContact O-CG 3.39Å; A104-K108 PolarHBondContact O-N 3.44Å; G105-K108 PolarHBondContact O-N 2.96Å; Q106-K108 PolarHBondContact O-N 2.99Å; K108-K112 WeakPolarHBondContact O-CB 3.27Å; K108-K112 VanDerWaalsContact O-CG 3.31Å; K108-K112 WeakPolarHBondContact O-CG 3.25Å; K108-K112 PolarHBondContact O-N 2.91Å
109	K	88	Confident	80.9	Confident	154 Å²	154	102 Å²	102	67%	0.67	53%	0.525	S	S	*	.	H	α-helix	trans	-68.1	-40	176.9	-171.1	-180	178.9	-176.4	0	111.5	G105 Q106 E107 K112 M113	G105-K109 WeakPolarHBondContact O-CB 3.37Å; G105-K109 PolarHBondContact O-N 3.25Å; Q106-K109 CarbonylContact O-C 3.6Å; Q106-K109 WeakPolarHBondContact O-CA 3.4Å; Q106-K109 WeakPolarHBondContact O-CB 3.28Å; Q106-K109 PolarHBondContact O-N 3.26Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.35Å; K109-K112 PolarHBondContact O-N 3.25Å; K109-M113 WeakPolarHBondContact O-CB 3.34Å; K109-M113 PolarHBondContact O-N 2.71Å
110	I	89.2	Confident	83.3	Confident	93 Å²	93	101.3 Å²	101.3	48%	0.477	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-51.1	174.1	-70.5	165.8	0	0	0	109.3	Q106 E107 K112 M113 E114	Q106-I110 WeakPolarHBondContact O-CB 3.23Å; Q106-I110 VanDerWaalsContact O-CG1 3.29Å; Q106-I110 WeakPolarHBondContact O-CG1 3.23Å; Q106-I110 PolarHBondContact O-N 3.45Å; E107-I110 PolarHBondContact O-N 2.9Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 2.82Å; I110-M113 CarbonylContact O-C 3.51Å; I110-M113 WeakPolarHBondContact O-CA 3.39Å; I110-M113 WeakPolarHBondContact O-CB 3.46Å; I110-M113 PolarHBondContact O-N 3.28Å; I110-E114 HydrophobicContact CG2-CG 4.1Å; I110-E114 WeakPolarHBondContact CG2-OE1 3.37Å; I110-E114 WeakPolarHBondContact O-CB 3.34Å; I110-E114 WeakPolarHBondContact O-CG 3.39Å; I110-E114 PolarHBondContact O-N 3.44Å
111	K	92.6	Very high	85.2	Confident	115 Å²	115	105 Å²	105	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-57.3	-40.7	176.6	-74	174.7	-176.1	167.2	0	113.1	E107 F115	E107-K111 WeakPolarHBondContact O-CB 3.35Å; E107-K111 WeakPolarHBondContact O-CG 3.2Å; E107-K111 PolarHBondContact O-N 2.87Å; E107-K111 WeakPolarHBondContact OE1-CE 3.03Å; E107-K111 IonicContact OE1-NZ 2.95Å; E107-K111 PolarHBondContact OE1-NZ 3.44Å; K111-F115 WeakPolarHBondContact O-CB 3.29Å; K111-F115 PolarHBondContact O-N 3.22Å
112	K	92.4	Very high	86.9	Confident	155 Å²	155	106.5 Å²	106.5	67%	0.674	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-42.7	172.8	-75.9	177.8	179.6	-173.5	0	111.9	K108 K109 I110 F115 V116	K108-K112 WeakPolarHBondContact O-CB 3.27Å; K108-K112 VanDerWaalsContact O-CG 3.31Å; K108-K112 WeakPolarHBondContact O-CG 3.25Å; K108-K112 PolarHBondContact O-N 2.91Å; K109-K112 PolarHBondContact O-N 3.25Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 2.82Å; K112-F115 PolarHBondContact O-N 2.8Å; K112-V116 WeakPolarHBondContact O-CG2 3.13Å; K112-V116 PolarHBondContact O-N 3.18Å
113	M	89.4	Confident	88.5	Confident	130 Å²	130	106.3 Å²	106.3	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-69.2	-38.4	178.8	-172.2	161.1	177.7	0	0	112	K109 I110 V116 V117	K109-M113 WeakPolarHBondContact O-CB 3.34Å; K109-M113 PolarHBondContact O-N 2.71Å; I110-M113 CarbonylContact O-C 3.51Å; I110-M113 WeakPolarHBondContact O-CA 3.39Å; I110-M113 WeakPolarHBondContact O-CB 3.46Å; I110-M113 PolarHBondContact O-N 3.28Å; M113-V116 PolarHBondContact O-N 2.84Å; M113-V117 WeakPolarHBondContact O-CB 3.31Å; M113-V117 VanDerWaalsContact O-CG2 3.28Å; M113-V117 WeakPolarHBondContact O-CG2 3.42Å; M113-V117 PolarHBondContact O-N 3.02Å
114	E	92.1	Very high	90	Very high	116 Å²	116	108 Å²	108	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-44.2	172.5	-73.3	172.3	162.2	0	0	111.1	I110 V117 L118	I110-E114 HydrophobicContact CG2-CG 4.1Å; I110-E114 WeakPolarHBondContact CG2-OE1 3.37Å; I110-E114 WeakPolarHBondContact O-CB 3.34Å; I110-E114 WeakPolarHBondContact O-CG 3.39Å; I110-E114 PolarHBondContact O-N 3.44Å; E114-V117 PolarHBondContact O-N 2.85Å; E114-L118 WeakPolarHBondContact O-CB 3.26Å; E114-L118 PolarHBondContact O-N 3.33Å
115	F	95	Very high	91	Very high	121 Å²	121	112.8 Å²	112.8	53%	0.531	54%	0.541	S	S	.	.	H	α-helix	trans	-59.7	-47.6	173.5	-179.4	-97.1	0	0	0	111.8	K111 K112 V117 L118 E119	K111-F115 WeakPolarHBondContact O-CB 3.29Å; K111-F115 PolarHBondContact O-N 3.22Å; K112-F115 PolarHBondContact O-N 2.8Å; F115-V117 VanDerWaalsContact C-N 3.32Å; F115-V117 PolarHBondContact O-N 3.24Å; F115-L118 WeakPolarHBondContact O-CB 3.48Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-L118 VanDerWaalsContact O-N 3.13Å; F115-E119 HydrophobicContact CD1-CG 4.32Å; F115-E119 HydrophobicContact CE1-CG 3.9Å; F115-E119 WeakPolarHBondContact CE1-OE1 3.49Å; F115-E119 HydrophobicContact CZ-CG 4.05Å; F115-E119 VanDerWaalsContact CZ-OE1 3.29Å; F115-E119 WeakPolarHBondContact CZ-OE1 3.27Å; F115-E119 PolarHBondContact O-N 3.42Å
116	V	96.3	Very high	91.9	Very high	71 Å²	71	114.5 Å²	114.5	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-61.8	-39.7	176.1	171.3	0	0	0	0	111.7	K112 M113 L118 E119 L120	K112-V116 WeakPolarHBondContact O-CG2 3.13Å; K112-V116 PolarHBondContact O-N 3.18Å; M113-V116 PolarHBondContact O-N 2.84Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-E119 PolarHBondContact O-N 2.87Å; V116-L120 HydrophobicContact CG1-CD1 4.16Å; V116-L120 HydrophobicContact CG1-CG 4.46Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.32Å; V116-L120 WeakPolarHBondContact O-CG 3.47Å; V116-L120 PolarHBondContact O-N 2.83Å
117	V	94.5	Very high	92.9	Very high	58 Å²	58	114.1 Å²	114.1	35%	0.352	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-39	175.4	166.6	0	0	0	0	110.9	M113 E114 F115 L120 R121	M113-V117 WeakPolarHBondContact O-CB 3.31Å; M113-V117 VanDerWaalsContact O-CG2 3.28Å; M113-V117 WeakPolarHBondContact O-CG2 3.42Å; M113-V117 PolarHBondContact O-N 3.02Å; E114-V117 PolarHBondContact O-N 2.85Å; F115-V117 VanDerWaalsContact C-N 3.32Å; F115-V117 PolarHBondContact O-N 3.24Å; V117-L120 PolarHBondContact O-N 3.28Å; V117-R121 WeakPolarHBondContact O-CB 3.4Å; V117-R121 VanDerWaalsContact O-CG 3.27Å; V117-R121 WeakPolarHBondContact O-CG 3.42Å; V117-R121 PolarHBondContact O-N 3.36Å
118	L	92.9	Very high	93.5	Very high	114 Å²	114	114.6 Å²	114.6	60%	0.597	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-45.2	176	-173.7	64.5	0	0	0	111.5	E114 F115 V116 L120 R121 Q122	E114-L118 WeakPolarHBondContact O-CB 3.26Å; E114-L118 PolarHBondContact O-N 3.33Å; F115-L118 WeakPolarHBondContact O-CB 3.48Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-L118 VanDerWaalsContact O-N 3.13Å; V116-L118 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.29Å; L118-R121 WeakPolarHBondContact O-CB 3.48Å; L118-R121 PolarHBondContact O-N 2.87Å; L118-Q122 PolarHBondContact O-N 3.28Å
119	E	95.5	Very high	93.7	Very high	96 Å²	96	113.7 Å²	113.7	45%	0.449	55%	0.549	S	S	.	.	H	α-helix	trans	-60.7	-42.9	174.4	-71.8	-172.5	141.3	0	0	112	F115 V116 Q122 K123	F115-E119 HydrophobicContact CD1-CG 4.32Å; F115-E119 HydrophobicContact CE1-CG 3.9Å; F115-E119 WeakPolarHBondContact CE1-OE1 3.49Å; F115-E119 HydrophobicContact CZ-CG 4.05Å; F115-E119 VanDerWaalsContact CZ-OE1 3.29Å; F115-E119 WeakPolarHBondContact CZ-OE1 3.27Å; F115-E119 PolarHBondContact O-N 3.42Å; V116-E119 PolarHBondContact O-N 2.87Å; E119-Q122 PolarHBondContact O-N 3.5Å; E119-K123 WeakPolarHBondContact O-CB 3.31Å; E119-K123 PolarHBondContact O-N 3.29Å
120	L	95	Very high	94	Very high	101 Å²	101	110.2 Å²	110.2	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-64.9	-39.1	175.6	-73.7	175.4	0	0	0	111.9	V116 V117 L118 K123 V124	V116-L120 HydrophobicContact CG1-CD1 4.16Å; V116-L120 HydrophobicContact CG1-CG 4.46Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.32Å; V116-L120 WeakPolarHBondContact O-CG 3.47Å; V116-L120 PolarHBondContact O-N 2.83Å; V117-L120 PolarHBondContact O-N 3.28Å; L118-L120 PolarHBondContact O-N 3.29Å; L120-K123 PolarHBondContact O-N 3.44Å; L120-V124 WeakPolarHBondContact O-CB 3.39Å; L120-V124 VanDerWaalsContact O-CG2 3.22Å; L120-V124 WeakPolarHBondContact O-CG2 2.86Å; L120-V124 PolarHBondContact O-N 2.82Å
121	R	95.3	Very high	94.1	Very high	165 Å²	165	110 Å²	110	62%	0.623	54%	0.537	S	S	*	.	H	α-helix	trans	-62.5	-44.8	174.2	-76.8	175.3	-172.3	-77.2	1.5	111.3	V117 L118 V124 Q125	V117-R121 WeakPolarHBondContact O-CB 3.4Å; V117-R121 VanDerWaalsContact O-CG 3.27Å; V117-R121 WeakPolarHBondContact O-CG 3.42Å; V117-R121 PolarHBondContact O-N 3.36Å; L118-R121 WeakPolarHBondContact O-CB 3.48Å; L118-R121 PolarHBondContact O-N 2.87Å; R121-V124 PolarHBondContact O-N 3.21Å; R121-Q125 WeakPolarHBondContact O-CG 3.49Å; R121-Q125 PolarHBondContact O-N 3.41Å
122	Q	94.6	Very high	93.9	Very high	126 Å²	126	108.4 Å²	108.4	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-61.1	-46.7	175.4	-174.2	-179.9	7.2	0	0	110.9	L118 E119 V124 Q125 T126	L118-Q122 PolarHBondContact O-N 3.28Å; E119-Q122 PolarHBondContact O-N 3.5Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 2.92Å; Q122-Q125 WeakPolarHBondContact O-CB 3.49Å; Q122-Q125 PolarHBondContact O-N 2.87Å; Q122-Q125 VanDerWaalsContact O-N 3.11Å; Q122-T126 PolarHBondContact O-N 3.23Å; Q122-T126 PolarHBondContact O-OG1 3.42Å; Q122-T126 VanDerWaalsContact O-OG1 3.14Å
123	K	96.6	Very high	93.8	Very high	135 Å²	135	105.6 Å²	105.6	59%	0.587	53%	0.525	S	S	*	.	H	α-helix	trans	-62.2	-38.4	177.4	-170.3	169.8	-175.3	172.4	0	112.5	E119 L120 T126 L127	E119-K123 WeakPolarHBondContact O-CB 3.31Å; E119-K123 PolarHBondContact O-N 3.29Å; L120-K123 PolarHBondContact O-N 3.44Å; K123-T126 PolarHBondContact O-N 2.71Å; K123-L127 HydrophobicContact CG-CD1 4.16Å; K123-L127 WeakPolarHBondContact O-CB 2.93Å; K123-L127 VanDerWaalsContact O-CG 3.26Å; K123-L127 WeakPolarHBondContact O-CG 3.32Å; K123-L127 PolarHBondContact O-N 2.86Å
124	V	95.4	Very high	93.7	Very high	94 Å²	94	101.8 Å²	101.8	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-65.7	-38.9	173.8	167.9	0	0	0	0	111.1	L120 R121 Q122 L127 N128	L120-V124 WeakPolarHBondContact O-CB 3.39Å; L120-V124 VanDerWaalsContact O-CG2 3.22Å; L120-V124 WeakPolarHBondContact O-CG2 2.86Å; L120-V124 PolarHBondContact O-N 2.82Å; R121-V124 PolarHBondContact O-N 3.21Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 2.92Å; V124-L127 PolarHBondContact O-N 3.05Å; V124-N128 VanDerWaalsContact O-CB 3.24Å; V124-N128 WeakPolarHBondContact O-CB 3.26Å; V124-N128 PolarHBondContact O-N 3.27Å
125	Q	95.7	Very high	93.3	Very high	142 Å²	142	98.6 Å²	98.6	66%	0.664	50%	0.499	S	S	*	.	H	α-helix	trans	-64.3	-44.8	173.9	-74.4	-178.9	-20.9	0	0	111.9	R121 Q122 N128 H129	R121-Q125 WeakPolarHBondContact O-CG 3.49Å; R121-Q125 PolarHBondContact O-N 3.41Å; Q122-Q125 WeakPolarHBondContact O-CB 3.49Å; Q122-Q125 PolarHBondContact O-N 2.87Å; Q122-Q125 VanDerWaalsContact O-N 3.11Å; Q125-N128 PolarHBondContact O-N 2.88Å; Q125-H129 PolarHBondContact O-N 3.49Å
126	T	95.6	Very high	92.8	Very high	73 Å²	73	98.7 Å²	98.7	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-59.2	-50.3	174	-53.4	0	0	0	0	111	Q122 K123 N128 H129 D130	Q122-T126 PolarHBondContact O-N 3.23Å; Q122-T126 PolarHBondContact O-OG1 3.42Å; Q122-T126 VanDerWaalsContact O-OG1 3.14Å; K123-T126 PolarHBondContact O-N 2.71Å; T126-N128 VanDerWaalsContact C-N 3.28Å; T126-N128 PolarHBondContact O-N 3.31Å; T126-H129 WeakPolarHBondContact O-CB 3.36Å; T126-H129 PolarHBondContact O-N 2.63Å; T126-H129 VanDerWaalsContact O-N 3.13Å; T126-D130 VanDerWaalsContact O-CG 3.29Å; T126-D130 PolarHBondContact O-N 3.3Å
127	L	95.6	Very high	92.2	Very high	100 Å²	100	98.6 Å²	98.6	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-33.8	178.4	-74.1	169.7	0	0	0	112.8	K123 V124 L131	K123-L127 HydrophobicContact CG-CD1 4.16Å; K123-L127 WeakPolarHBondContact O-CB 2.93Å; K123-L127 VanDerWaalsContact O-CG 3.26Å; K123-L127 WeakPolarHBondContact O-CG 3.32Å; K123-L127 PolarHBondContact O-N 2.86Å; V124-L127 PolarHBondContact O-N 3.05Å; L127-L131 WeakPolarHBondContact O-CB 3.22Å; L127-L131 PolarHBondContact O-N 2.88Å
128	N	93.4	Very high	91.4	Very high	104 Å²	104	97.9 Å²	97.9	56%	0.556	49%	0.494	S	S	*	.	H	α-helix	trans	-71.5	-37.1	176	-164.7	22.3	0	0	0	111.5	V124 Q125 T126 L131 L132	V124-N128 VanDerWaalsContact O-CB 3.24Å; V124-N128 WeakPolarHBondContact O-CB 3.26Å; V124-N128 PolarHBondContact O-N 3.27Å; Q125-N128 PolarHBondContact O-N 2.88Å; T126-N128 VanDerWaalsContact C-N 3.28Å; T126-N128 PolarHBondContact O-N 3.31Å; N128-L131 PolarHBondContact O-N 2.87Å; N128-L132 WeakPolarHBondContact O-CB 3.27Å; N128-L132 PolarHBondContact O-N 2.92Å
129	H	93.4	Very high	90.8	Very high	125 Å²	125	94.7 Å²	94.7	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-63.6	-46.1	171.4	-173.9	76.3	0	0	0	111.4	Q125 T126 L131 L132 L133	Q125-H129 PolarHBondContact O-N 3.49Å; T126-H129 WeakPolarHBondContact O-CB 3.36Å; T126-H129 PolarHBondContact O-N 2.63Å; T126-H129 VanDerWaalsContact O-N 3.13Å; H129-L131 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact O-N 2.89Å; H129-L132 WeakPolarHBondContact O-CB 3.39Å; H129-L132 PolarHBondContact O-N 2.95Å; H129-L133 PolarHBondContact O-N 2.95Å
130	D	94.3	Very high	89.8	Confident	80 Å²	80	93.4 Å²	93.4	43%	0.428	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-38.9	176.7	-66	-17.4	0	0	0	111.6	T126 L133 A134	T126-D130 VanDerWaalsContact O-CG 3.29Å; T126-D130 PolarHBondContact O-N 3.3Å; D130-L133 PolarHBondContact O-N 3.45Å; D130-A134 VanDerWaalsContact O-CB 3.3Å; D130-A134 WeakPolarHBondContact O-CB 3.24Å; D130-A134 PolarHBondContact O-N 3.39Å
131	L	90.5	Very high	88.6	Confident	90 Å²	90	94.1 Å²	94.1	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-38.8	174.6	-177.4	66	0	0	0	111.6	L127 N128 H129 K135 I149	L127-L131 WeakPolarHBondContact O-CB 3.22Å; L127-L131 PolarHBondContact O-N 2.88Å; N128-L131 PolarHBondContact O-N 2.87Å; H129-L131 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact O-N 2.89Å; L131-K135 VanDerWaalsContact O-CB 3.24Å; L131-K135 WeakPolarHBondContact O-CB 3.4Å; L131-K135 PolarHBondContact O-N 3.29Å; L131-I149 HydrophobicContact CD1-CD1 4.28Å
132	L	88.8	Confident	87.4	Confident	81 Å²	81	88 Å²	88	42%	0.424	46%	0.464	S	S	.	.	H	α-helix	trans	-66.6	-39.9	174.6	-177.5	65.2	0	0	0	111.4	N128 H129 K135 K136	N128-L132 WeakPolarHBondContact O-CB 3.27Å; N128-L132 PolarHBondContact O-N 2.92Å; H129-L132 WeakPolarHBondContact O-CB 3.39Å; H129-L132 PolarHBondContact O-N 2.95Å; L132-K135 PolarHBondContact O-N 3.02Å; L132-K136 WeakPolarHBondContact O-CG 3.34Å; L132-K136 PolarHBondContact O-N 2.91Å
133	L	89.5	Confident	86	Confident	96 Å²	96	85.1 Å²	85.1	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-46.6	175.1	-177.3	62.2	0	0	0	111.2	H129 D130 K135 K136 V137	H129-L133 PolarHBondContact O-N 2.95Å; D130-L133 PolarHBondContact O-N 3.45Å; L133-K135 VanDerWaalsContact C-N 3.3Å; L133-K135 PolarHBondContact O-N 3.37Å; L133-K136 WeakPolarHBondContact O-CB 3.38Å; L133-K136 PolarHBondContact O-N 2.97Å; L133-K136 VanDerWaalsContact O-N 3.13Å; L133-V137 WeakPolarHBondContact O-CG2 3.38Å; L133-V137 PolarHBondContact O-N 3.13Å
134	A	87	Confident	84.8	Confident	50 Å²	50	83.7 Å²	83.7	41%	0.413	46%	0.463	S	S	.	.	H	α-helix	trans	-59.6	-41.8	174.8	0	0	0	0	0	111.3	D130 K136 V137 V138	D130-A134 VanDerWaalsContact O-CB 3.3Å; D130-A134 WeakPolarHBondContact O-CB 3.24Å; D130-A134 PolarHBondContact O-N 3.39Å; A134-K136 PolarHBondContact O-N 3.49Å; A134-V137 PolarHBondContact O-N 2.9Å; A134-V138 WeakPolarHBondContact O-CG2 3.24Å; A134-V138 PolarHBondContact O-N 3.31Å
135	K	85.3	Confident	83.7	Confident	49 Å²	49	86.2 Å²	86.2	21%	0.213	47%	0.472	C	S	.	.	H	α-helix	trans	-57.5	-48.8	172.3	177.6	-172.8	166	179.3	0	111.1	L131 L132 L133 V137 V138 E139 I146 I149	L131-K135 VanDerWaalsContact O-CB 3.24Å; L131-K135 WeakPolarHBondContact O-CB 3.4Å; L131-K135 PolarHBondContact O-N 3.29Å; L132-K135 PolarHBondContact O-N 3.02Å; L133-K135 VanDerWaalsContact C-N 3.3Å; L133-K135 PolarHBondContact O-N 3.37Å; K135-V137 VanDerWaalsContact C-N 3.31Å; K135-V137 PolarHBondContact O-N 2.95Å; K135-V138 PolarHBondContact O-N 2.98Å; K135-E139 WeakPolarHBondContact CE-OE1 3.28Å; K135-E139 HydrophobicContact CG-CG 4.41Å; K135-E139 IonicContact NZ-OE1 3.79Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 3.41Å; K135-I146 WeakPolarHBondContact CE-O 3.41Å; K135-I146 PolarHBondContact NZ-O 3.26Å; K135-I149 HydrophobicContact CB-CD1 4.44Å
136	K	83.9	Confident	82.6	Confident	123 Å²	123	79.6 Å²	79.6	54%	0.535	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-38.6	176.7	-75.4	178.1	-179.1	179.3	0	112.5	L132 L133 A134 E139 A140	L132-K136 WeakPolarHBondContact O-CG 3.34Å; L132-K136 PolarHBondContact O-N 2.91Å; L133-K136 WeakPolarHBondContact O-CB 3.38Å; L133-K136 PolarHBondContact O-N 2.97Å; L133-K136 VanDerWaalsContact O-N 3.13Å; A134-K136 PolarHBondContact O-N 3.49Å; K136-E139 PolarHBondContact O-N 2.84Å; K136-A140 WeakPolarHBondContact O-CB 3.46Å; K136-A140 PolarHBondContact O-N 2.89Å
137	V	82.6	Confident	81.5	Confident	69 Å²	69	81.7 Å²	81.7	42%	0.418	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-45.4	175.2	171.1	0	0	0	0	110.4	L133 A134 K135 A140 E141	L133-V137 WeakPolarHBondContact O-CG2 3.38Å; L133-V137 PolarHBondContact O-N 3.13Å; A134-V137 PolarHBondContact O-N 2.9Å; K135-V137 VanDerWaalsContact C-N 3.31Å; K135-V137 PolarHBondContact O-N 2.95Å; V137-A140 PolarHBondContact O-N 3.35Å; V137-E141 HydrophobicContact CG1-CG 4.39Å; V137-E141 WeakPolarHBondContact O-CB 3.46Å; V137-E141 VanDerWaalsContact O-CG 3.31Å; V137-E141 WeakPolarHBondContact O-CG 3.41Å; V137-E141 PolarHBondContact O-N 3.33Å
138	V	79.4	Confident	80.6	Confident	43 Å²	43	80.3 Å²	80.3	26%	0.261	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-41.2	175.8	178	0	0	0	0	111.3	A134 K135 A140 E141 T142 I146 W152	A134-V138 WeakPolarHBondContact O-CG2 3.24Å; A134-V138 PolarHBondContact O-N 3.31Å; K135-V138 PolarHBondContact O-N 2.98Å; V138-A140 VanDerWaalsContact C-N 3.32Å; V138-A140 PolarHBondContact O-N 3.48Å; V138-E141 PolarHBondContact O-N 3.47Å; V138-T142 HydrophobicContact CG1-CG2 3.93Å; V138-T142 VanDerWaalsContact O-CB 3.29Å; V138-T142 WeakPolarHBondContact O-CB 3.43Å; V138-T142 WeakPolarHBondContact O-CG2 3.46Å; V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 2.79Å; V138-I146 HydrophobicContact CB-CD1 4.25Å; V138-I146 HydrophobicContact CG1-CD1 3.66Å; V138-W152 HydrophobicContact CG1-CH2 3.87Å; V138-W152 HydrophobicContact CG1-CZ2 3.95Å
139	E	79.1	Confident	79.8	Confident	46 Å²	46	77.9 Å²	77.9	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-60.6	-41.2	174.3	-72.3	175.7	157.2	0	0	111.3	K135 K136 G143 I146	K135-E139 WeakPolarHBondContact CE-OE1 3.28Å; K135-E139 HydrophobicContact CG-CG 4.41Å; K135-E139 IonicContact NZ-OE1 3.79Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 3.41Å; K136-E139 PolarHBondContact O-N 2.84Å; E139-G143 WeakPolarHBondContact O-CA 3.19Å; E139-G143 PolarHBondContact O-N 2.98Å; E139-I146 HydrophobicContact CG-CB 3.97Å; E139-I146 HydrophobicContact CG-CD1 3.88Å; E139-I146 HydrophobicContact CG-CG1 3.78Å; E139-I146 WeakPolarHBondContact OE1-CA 3.5Å; E139-I146 WeakPolarHBondContact OE1-CB 3.36Å; E139-I146 PolarHBondContact OE1-N 3.49Å
140	A	74.2	Confident	79	Confident	69 Å²	69	76.9 Å²	76.9	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-69	-36.8	175.7	0	0	0	0	0	113.1	K136 V137 V138	K136-A140 WeakPolarHBondContact O-CB 3.46Å; K136-A140 PolarHBondContact O-N 2.89Å; V137-A140 PolarHBondContact O-N 3.35Å; V138-A140 VanDerWaalsContact C-N 3.32Å; V138-A140 PolarHBondContact O-N 3.48Å
141	E	71.2	Confident	78.1	Confident	116 Å²	116	77.8 Å²	77.8	54%	0.542	44%	0.439	S	S	.	.	H	α-helix	trans	-70.4	-36.2	177.1	-77	-178.2	-179.1	0	0	112.3	V137 V138 R170	V137-E141 HydrophobicContact CG1-CG 4.39Å; V137-E141 WeakPolarHBondContact O-CB 3.46Å; V137-E141 VanDerWaalsContact O-CG 3.31Å; V137-E141 WeakPolarHBondContact O-CG 3.41Å; V137-E141 PolarHBondContact O-N 3.33Å; V138-E141 PolarHBondContact O-N 3.47Å; E141-R170 WeakPolarHBondContact O-CB 3.22Å; E141-R170 WeakPolarHBondContact O-CD 3.39Å
142	T	69	Low	77.2	Confident	37 Å²	37	76 Å²	76	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-94.5	-26.4	-173.8	61.3	0	0	0	0	112.9	V138 E144 W167	V138-T142 HydrophobicContact CG1-CG2 3.93Å; V138-T142 VanDerWaalsContact O-CB 3.29Å; V138-T142 WeakPolarHBondContact O-CB 3.43Å; V138-T142 WeakPolarHBondContact O-CG2 3.46Å; V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 2.79Å; T142-E144 PolarHBondContact O-N 2.96Å; T142-E144 PolarHBondContact OG1-N 3.49Å; T142-W167 HydrophobicContact CG2-CH2 3.51Å; T142-W167 HydrophobicContact CG2-CZ3 3.3Å
143	G	66.2	Low	76.3	Confident	66 Å²	66	76.2 Å²	76.2	68%	0.68	43%	0.426	S	S	*	.			trans	74.2	1.9	-173.6	0	0	0	0	0	113.7	E139	E139-G143 WeakPolarHBondContact O-CA 3.19Å; E139-G143 PolarHBondContact O-N 2.98Å
144	E	70.4	Confident	75.3	Confident	105 Å²	105	75 Å²	75	49%	0.491	42%	0.423	S	S	.	.	S	Bend	trans	-101.8	135.9	176.2	-66.9	-175.2	-165.2	0	0	109.9	T142 W167	T142-E144 PolarHBondContact O-N 2.96Å; T142-E144 PolarHBondContact OG1-N 3.49Å; E144-W167 VanDerWaalsContact OE2-CZ2 3.27Å; E144-W167 WeakPolarHBondContact OE2-CZ2 3.33Å
145	I	72.7	Confident	74.3	Confident	147 Å²	147	77.2 Å²	77.2	75%	0.754	43%	0.428	S	S	*	.			trans	-71.9	131.3	171.8	-58.8	149.1	0	0	0	107	P147	I145-P147 VanDerWaalsContact O-CD 3.26Å; I145-P147 WeakPolarHBondContact O-CD 3.29Å
146	I	71.9	Confident	73.2	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.01	44%	0.439	C	S	.	.			trans	-106	96.3	-178.9	-61.3	172.4	0	0	0	108	K135 V138 E139 N148 W152	K135-I146 WeakPolarHBondContact CE-O 3.41Å; K135-I146 PolarHBondContact NZ-O 3.26Å; V138-I146 HydrophobicContact CB-CD1 4.25Å; V138-I146 HydrophobicContact CG1-CD1 3.66Å; E139-I146 HydrophobicContact CG-CB 3.97Å; E139-I146 HydrophobicContact CG-CD1 3.88Å; E139-I146 HydrophobicContact CG-CG1 3.78Å; E139-I146 WeakPolarHBondContact OE1-CA 3.5Å; E139-I146 WeakPolarHBondContact OE1-CB 3.36Å; E139-I146 PolarHBondContact OE1-N 3.49Å; I146-N148 PolarHBondContact O-N 2.96Å; I146-W152 HydrophobicContact CD1-CD2 4.19Å; I146-W152 HydrophobicContact CD1-CG 4.43Å; I146-W152 HydrophobicContact CD1-CZ2 4.15Å; I146-W152 HydrophobicContact CG1-CG 4.3Å; I146-W152 HydrophobicContact CG2-CB 3.86Å; I146-W152 HydrophobicContact CG2-CG 3.97Å
147	P	72.5	Confident	72.1	Confident	118 Å²	118	80.8 Å²	80.8	77%	0.766	45%	0.447	S	S	*	.	S	Bend	trans	-66.6	-39.1	-177.5	-22.4	35.6	0	0	0	112.2	I145	I145-P147 VanDerWaalsContact O-CD 3.26Å; I145-P147 WeakPolarHBondContact O-CD 3.29Å
148	N	77.8	Confident	70.8	Confident	70 Å²	70	83.7 Å²	83.7	37%	0.374	46%	0.46	S	S	.	.			trans	-143.9	123.8	179	-175.1	-32.1	0	0	0	110.3	I146 N150 I151 W152	I146-N148 PolarHBondContact O-N 2.96Å; N148-N150 VanDerWaalsContact C-N 3.26Å; N148-N150 PolarHBondContact O-N 2.97Å; N148-N150 WeakPolarHBondContact OD1-CB 3.47Å; N148-N150 PolarHBondContact OD1-N 2.83Å; N148-I151 HydrophobicContact CB-CB 4.23Å; N148-I151 HydrophobicContact CB-CD1 3.82Å; N148-I151 HydrophobicContact CB-CG1 3.9Å; N148-I151 PolarHBondContact O-N 3.47Å; N148-W152 WeakPolarHBondContact O-CB 3.24Å; N148-W152 PolarHBondContact O-N 3.2Å
149	I	76	Confident	69.3	Low	54 Å²	54	86.4 Å²	86.4	28%	0.277	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-31.7	-176.4	-147	144.6	0	0	0	112.4	L131 K135 W152 L153	L131-I149 HydrophobicContact CD1-CD1 4.28Å; K135-I149 HydrophobicContact CB-CD1 4.44Å; I149-W152 PolarHBondContact O-N 2.95Å; I149-L153 WeakPolarHBondContact O-CB 3.47Å; I149-L153 VanDerWaalsContact O-CG 3.26Å; I149-L153 WeakPolarHBondContact O-CG 3.47Å; I149-L153 PolarHBondContact O-N 3.48Å
150	N	77.1	Confident	67.7	Low	104 Å²	104	89.8 Å²	89.8	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-71.8	-40.3	178.7	-69.3	-39.7	0	0	0	111.7	N148 W152 T154	N148-N150 VanDerWaalsContact C-N 3.26Å; N148-N150 PolarHBondContact O-N 2.97Å; N148-N150 WeakPolarHBondContact OD1-CB 3.47Å; N148-N150 PolarHBondContact OD1-N 2.83Å; N150-W152 VanDerWaalsContact C-N 3.32Å; N150-T154 VanDerWaalsContact O-CB 3.22Å; N150-T154 WeakPolarHBondContact O-CB 3.43Å; N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 2.86Å
151	I	74.3	Confident	66.4	Low	99 Å²	99	95.6 Å²	95.6	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-65.4	-42.9	175.9	-59	178.2	0	0	0	109.2	N148 T154 N155	N148-I151 HydrophobicContact CB-CB 4.23Å; N148-I151 HydrophobicContact CB-CD1 3.82Å; N148-I151 HydrophobicContact CB-CG1 3.9Å; N148-I151 PolarHBondContact O-N 3.47Å; I151-T154 PolarHBondContact O-N 3.38Å; I151-N155 WeakPolarHBondContact O-CB 3.36Å; I151-N155 VanDerWaalsContact O-CG 3.29Å; I151-N155 PolarHBondContact O-N 3.23Å; I151-N155 PolarHBondContact O-ND2 3.13Å
152	W	73.7	Confident	65.3	Low	53 Å²	53	93.2 Å²	93.2	20%	0.201	51%	0.514	C	S	.	.	H	α-helix	trans	-62.1	-47	177.4	-171.4	86	0	0	0	112.4	V138 I146 N148 I149 N150 T154 N155 L156 W167	V138-W152 HydrophobicContact CG1-CH2 3.87Å; V138-W152 HydrophobicContact CG1-CZ2 3.95Å; I146-W152 HydrophobicContact CD1-CD2 4.19Å; I146-W152 HydrophobicContact CD1-CG 4.43Å; I146-W152 HydrophobicContact CD1-CZ2 4.15Å; I146-W152 HydrophobicContact CG1-CG 4.3Å; I146-W152 HydrophobicContact CG2-CB 3.86Å; I146-W152 HydrophobicContact CG2-CG 3.97Å; N148-W152 WeakPolarHBondContact O-CB 3.24Å; N148-W152 PolarHBondContact O-N 3.2Å; I149-W152 PolarHBondContact O-N 2.95Å; N150-W152 VanDerWaalsContact C-N 3.32Å; W152-T154 VanDerWaalsContact C-N 3.32Å; W152-T154 PolarHBondContact O-N 3.1Å; W152-N155 PolarHBondContact O-N 2.93Å; W152-L156 HydrophobicContact CH2-CD1 4.2Å; W152-L156 HydrophobicContact CZ2-CD1 4.47Å; W152-L156 HydrophobicContact CZ3-CD1 4.24Å; W152-L156 PolarHBondContact O-N 2.83Å; W152-W167 AromaticContact CE2-CH2 3.54Å; W152-W167 AromaticContact CE2-CZ2 3.72Å; W152-W167 HydrophobicContact CH2-CH2 4.48Å; W152-W167 HydrophobicContact CH2-CZ3 4.26Å; W152-W167 HydrophobicContact CZ2-CE3 4.1Å; W152-W167 AromaticContact CZ2-CH2 3.25Å; W152-W167 HydrophobicContact CZ2-CH2 3.25Å; W152-W167 AromaticContact CZ2-CZ2 3.87Å; W152-W167 HydrophobicContact CZ2-CZ2 3.87Å; W152-W167 AromaticContact CZ2-CZ3 3.36Å; W152-W167 HydrophobicContact CZ2-CZ3 3.36Å; W152-W167 AromaticContact NE1-CE2 3.99Å; W152-W167 AromaticContact NE1-CH2 3.3Å; W152-W167 VanDerWaalsContact NE1-CH2 3.3Å; W152-W167 AromaticContact NE1-CZ2 3.11Å
153	L	69.6	Low	64.1	Low	84 Å²	84	95.9 Å²	95.9	44%	0.44	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-36.5	172.9	-75.4	171.8	0	0	0	112.7	I149 L156 K157	I149-L153 WeakPolarHBondContact O-CB 3.47Å; I149-L153 VanDerWaalsContact O-CG 3.26Å; I149-L153 WeakPolarHBondContact O-CG 3.47Å; I149-L153 PolarHBondContact O-N 3.48Å; L153-L156 CarbonylContact O-C 3.5Å; L153-L156 WeakPolarHBondContact O-CA 3.21Å; L153-L156 VanDerWaalsContact O-CB 3.27Å; L153-L156 WeakPolarHBondContact O-CB 3.38Å; L153-L156 PolarHBondContact O-N 2.86Å; L153-K157 WeakPolarHBondContact O-CB 3.26Å; L153-K157 PolarHBondContact O-N 3.13Å
154	T	68.1	Low	63.4	Low	70 Å²	70	102.5 Å²	102.5	43%	0.429	54%	0.536	S	S	.	.	H	α-helix	trans	-69.5	-40.1	178.8	-58.1	0	0	0	0	110.6	N150 I151 W152 L156 K157 L158	N150-T154 VanDerWaalsContact O-CB 3.22Å; N150-T154 WeakPolarHBondContact O-CB 3.43Å; N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 2.86Å; I151-T154 PolarHBondContact O-N 3.38Å; W152-T154 VanDerWaalsContact C-N 3.32Å; W152-T154 PolarHBondContact O-N 3.1Å; T154-L156 PolarHBondContact O-N 2.94Å; T154-K157 PolarHBondContact O-N 3.3Å; T154-L158 HydrophobicContact CG2-CD1 3.31Å; T154-L158 HydrophobicContact CG2-CG 4.14Å; T154-L158 VanDerWaalsContact O-CB 3.25Å; T154-L158 WeakPolarHBondContact O-CB 3.36Å; T154-L158 PolarHBondContact O-N 3.49Å
155	N	66.2	Low	62.3	Low	98 Å²	98	98.8 Å²	98.8	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-29.3	170.3	-70.9	-21.3	0	0	0	112.4	I151 W152	I151-N155 WeakPolarHBondContact O-CB 3.36Å; I151-N155 VanDerWaalsContact O-CG 3.29Å; I151-N155 PolarHBondContact O-N 3.23Å; I151-N155 PolarHBondContact O-ND2 3.13Å; W152-N155 PolarHBondContact O-N 2.93Å
156	L	62.5	Low	61.4	Low	84 Å²	84	97.3 Å²	97.3	44%	0.44	52%	0.524	S	S	.	.	H	α-helix	trans	-73.9	-42.9	173.8	-145.3	120.4	0	0	0	111.9	W152 L153 T154 W167	W152-L156 HydrophobicContact CH2-CD1 4.2Å; W152-L156 HydrophobicContact CZ2-CD1 4.47Å; W152-L156 HydrophobicContact CZ3-CD1 4.24Å; W152-L156 PolarHBondContact O-N 2.83Å; L153-L156 CarbonylContact O-C 3.5Å; L153-L156 WeakPolarHBondContact O-CA 3.21Å; L153-L156 VanDerWaalsContact O-CB 3.27Å; L153-L156 WeakPolarHBondContact O-CB 3.38Å; L153-L156 PolarHBondContact O-N 2.86Å; T154-L156 PolarHBondContact O-N 2.94Å; L156-W167 HydrophobicContact CD1-CD2 4.47Å
157	K	60.9	Low	60.5	Low	162 Å²	162	101.3 Å²	101.3	70%	0.704	54%	0.539	S	S	*	.	H	α-helix	trans	-78	-40	-179.2	-109.8	-175.9	177.1	-179.3	0	113.8	L153 T154 K159 T160	L153-K157 WeakPolarHBondContact O-CB 3.26Å; L153-K157 PolarHBondContact O-N 3.13Å; T154-K157 PolarHBondContact O-N 3.3Å; K157-K159 PolarHBondContact O-N 2.87Å; K157-T160 PolarHBondContact O-N 3.31Å; K157-T160 VanDerWaalsContact O-N 3.12Å; K157-T160 PolarHBondContact O-OG1 2.87Å
158	L	53.5	Low	60	Low	130 Å²	130	103.1 Å²	103.1	68%	0.681	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.3	-178.7	-88	156.5	0	0	0	112.9	T154	T154-L158 HydrophobicContact CG2-CD1 3.31Å; T154-L158 HydrophobicContact CG2-CG 4.14Å; T154-L158 VanDerWaalsContact O-CB 3.25Å; T154-L158 WeakPolarHBondContact O-CB 3.36Å; T154-L158 PolarHBondContact O-N 3.49Å
159	K	48.9	Very low	59.3	Low	101 Å²	101	101.3 Å²	101.3	44%	0.439	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	19.1	175.7	-66	-172	179.7	-177.3	0	113.8	K157 E161	K157-K159 PolarHBondContact O-N 2.87Å; K159-E161 VanDerWaalsContact C-N 3.3Å; K159-E161 PolarHBondContact O-N 2.9Å
160	T	45.3	Very low	59.1	Low	117 Å²	117	105.8 Å²	105.8	72%	0.718	54%	0.542	S	S	*	.			trans	-78.3	-3	174.7	48.2	0	0	0	0	115	K157 G162	K157-T160 PolarHBondContact O-N 3.31Å; K157-T160 VanDerWaalsContact O-N 3.12Å; K157-T160 PolarHBondContact O-OG1 2.87Å; T160-G162 VanDerWaalsContact C-N 3.3Å; T160-G162 PolarHBondContact O-N 3.43Å
161	E	47.8	Very low	58.7	Low	191 Å²	191	107.2 Å²	107.2	89%	0.893	55%	0.545	S	S	*	.	S	Bend	trans	-91	35.1	176.1	-67.9	-166.5	172.2	0	0	114.5	K159	K159-E161 VanDerWaalsContact C-N 3.3Å; K159-E161 PolarHBondContact O-N 2.9Å
162	G	47.8	Very low	58.5	Low	66 Å²	66	108.1 Å²	108.1	68%	0.68	55%	0.547	S	S	*	.	S	Bend	trans	104.4	3.4	159	0	0	0	0	0	116.6	T160	T160-G162 VanDerWaalsContact C-N 3.3Å; T160-G162 PolarHBondContact O-N 3.43Å
163	T	44.2	Very low	58.7	Low	93 Å²	93	110.1 Å²	110.1	57%	0.571	56%	0.558	S	S	*	*	S	Bend	trans	-109.7	100.8	161.4	33.6	0	0	0	0	107.7	G165	T163-G165 PolarHBondContact O-N 3.02Å
164	Y	50	Low	59.1	Low	205 Å²	205	108.8 Å²	108.8	80%	0.804	55%	0.551	S	S	*	*			trans	-32.1	107.3	164.5	44.6	-84.2	0	0	0	108.2	T166	Y164-T166 PolarHBondContact O-N 3.42Å; Y164-T166 VanDerWaalsContact O-N 3.16Å
165	G	47.8	Very low	59.7	Low	26 Å²	26	108.4 Å²	108.4	27%	0.268	55%	0.549	S	S	.	.			trans	-50.6	132.3	170.6	0	0	0	0	0	106.5	T163 W167	T163-G165 PolarHBondContact O-N 3.02Å; G165-W167 PolarHBondContact O-N 3.32Å
166	T	53.1	Low	60.5	Low	117 Å²	117	105.8 Å²	105.8	72%	0.718	54%	0.541	S	S	*	.	S	Bend	trans	-47.1	-7.8	-179.7	-46.1	0	0	0	0	114.6	Y164 R168	Y164-T166 PolarHBondContact O-N 3.42Å; Y164-T166 VanDerWaalsContact O-N 3.16Å; T166-R168 PolarHBondContact O-N 3.31Å
167	W	53.2	Low	61.7	Low	85 Å²	85	106.7 Å²	106.7	32%	0.322	55%	0.546	S	S	.	.			trans	-62.2	86.8	172.1	-82.3	76.7	0	0	0	113.3	T142 E144 W152 L156 G165	T142-W167 HydrophobicContact CG2-CH2 3.51Å; T142-W167 HydrophobicContact CG2-CZ3 3.3Å; E144-W167 VanDerWaalsContact OE2-CZ2 3.27Å; E144-W167 WeakPolarHBondContact OE2-CZ2 3.33Å; W152-W167 AromaticContact CE2-CH2 3.54Å; W152-W167 AromaticContact CE2-CZ2 3.72Å; W152-W167 HydrophobicContact CH2-CH2 4.48Å; W152-W167 HydrophobicContact CH2-CZ3 4.26Å; W152-W167 HydrophobicContact CZ2-CE3 4.1Å; W152-W167 AromaticContact CZ2-CH2 3.25Å; W152-W167 HydrophobicContact CZ2-CH2 3.25Å; W152-W167 AromaticContact CZ2-CZ2 3.87Å; W152-W167 HydrophobicContact CZ2-CZ2 3.87Å; W152-W167 AromaticContact CZ2-CZ3 3.36Å; W152-W167 HydrophobicContact CZ2-CZ3 3.36Å; W152-W167 AromaticContact NE1-CE2 3.99Å; W152-W167 AromaticContact NE1-CH2 3.3Å; W152-W167 VanDerWaalsContact NE1-CH2 3.3Å; W152-W167 AromaticContact NE1-CZ2 3.11Å; L156-W167 HydrophobicContact CD1-CD2 4.47Å; G165-W167 PolarHBondContact O-N 3.32Å
168	R	61.5	Low	63	Low	156 Å²	156	105.6 Å²	105.6	59%	0.589	54%	0.541	S	S	*	.			trans	-94.1	118.6	152	-70	-173.4	179.7	-113.6	-0.3	107.6	T166 Q173	T166-R168 PolarHBondContact O-N 3.31Å; R168-Q173 HydrophobicContact CB-CG 3.63Å; R168-Q173 PolarHBondContact O-NE2 3.41Å
169	G	64.6	Low	64.6	Low	32 Å²	32	104.7 Å²	104.7	33%	0.33	54%	0.537	S	S	.	.			trans	-55.9	148.2	175.2	0	0	0	0	0	110.8	Q171 Q172 Q173	G169-Q171 PolarHBondContact O-N 3.16Å; G169-Q171 VanDerWaalsContact O-N 3.11Å; G169-Q172 CarbonylContact O-C 3.56Å; G169-Q172 WeakPolarHBondContact O-CA 3.43Å; G169-Q172 WeakPolarHBondContact O-CB 3.43Å; G169-Q172 PolarHBondContact O-N 2.87Å; G169-Q173 PolarHBondContact O-N 3.3Å
170	R	70.4	Confident	66.7	Low	149 Å²	149	108.6 Å²	108.6	56%	0.562	55%	0.549	S	S	*	.	H	α-helix	trans	-52.1	-38.3	-178.5	178	171.7	179	165.3	0.4	112.4	E141 Q172 Q173 I174	E141-R170 WeakPolarHBondContact O-CB 3.22Å; E141-R170 WeakPolarHBondContact O-CD 3.39Å; R170-Q172 PolarHBondContact O-N 2.98Å; R170-Q173 PolarHBondContact O-N 3.03Å; R170-I174 HydrophobicContact CG-CD1 3.75Å; R170-I174 HydrophobicContact CG-CG1 4.29Å; R170-I174 WeakPolarHBondContact O-CB 3.38Å; R170-I174 WeakPolarHBondContact O-CG1 3.32Å; R170-I174 PolarHBondContact O-N 3.14Å
171	Q	70.2	Confident	68.9	Low	133 Å²	133	107.1 Å²	107.1	62%	0.621	54%	0.535	S	S	*	.	H	α-helix	trans	-60.8	-42.2	173.7	-174.4	59.2	33.7	0	0	112.7	G169 I174 T175	G169-Q171 PolarHBondContact O-N 3.16Å; G169-Q171 VanDerWaalsContact O-N 3.11Å; Q171-I174 PolarHBondContact O-N 3.11Å; Q171-T175 PolarHBondContact O-N 2.93Å; Q171-T175 PolarHBondContact O-OG1 2.94Å; Q171-T175 VanDerWaalsContact O-OG1 3.05Å
172	Q	69.7	Low	70.9	Confident	118 Å²	118	100.4 Å²	100.4	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-69.3	-38.3	175.8	-68.4	179.4	-7.9	0	0	111.9	G169 R170 T175 A176	G169-Q172 CarbonylContact O-C 3.56Å; G169-Q172 WeakPolarHBondContact O-CA 3.43Å; G169-Q172 WeakPolarHBondContact O-CB 3.43Å; G169-Q172 PolarHBondContact O-N 2.87Å; R170-Q172 PolarHBondContact O-N 2.98Å; Q172-T175 PolarHBondContact O-N 2.86Å; Q172-A176 VanDerWaalsContact O-CB 3.28Å; Q172-A176 WeakPolarHBondContact O-CB 3.44Å; Q172-A176 PolarHBondContact O-N 3.37Å
173	Q	77.1	Confident	73	Confident	95 Å²	95	104.1 Å²	104.1	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-44.6	173.5	-67.7	-174.9	13.4	0	0	110.9	R168 G169 R170 A176 L177	R168-Q173 HydrophobicContact CB-CG 3.63Å; R168-Q173 PolarHBondContact O-NE2 3.41Å; G169-Q173 PolarHBondContact O-N 3.3Å; R170-Q173 PolarHBondContact O-N 3.03Å; Q173-A176 PolarHBondContact O-N 3.4Å; Q173-L177 VanDerWaalsContact O-CB 3.3Å; Q173-L177 WeakPolarHBondContact O-CB 3.34Å; Q173-L177 VanDerWaalsContact O-CG 3.25Å; Q173-L177 WeakPolarHBondContact O-CG 3.28Å; Q173-L177 PolarHBondContact O-N 3.35Å
174	I	78.8	Confident	75.1	Confident	56 Å²	56	104.2 Å²	104.2	29%	0.287	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-46.2	175.7	-70.3	167.2	0	0	0	110.4	R170 Q171 A176 L177 K178	R170-I174 HydrophobicContact CG-CD1 3.75Å; R170-I174 HydrophobicContact CG-CG1 4.29Å; R170-I174 WeakPolarHBondContact O-CB 3.38Å; R170-I174 WeakPolarHBondContact O-CG1 3.32Å; R170-I174 PolarHBondContact O-N 3.14Å; Q171-I174 PolarHBondContact O-N 3.11Å; I174-A176 PolarHBondContact O-N 3.33Å; I174-L177 PolarHBondContact O-N 2.91Å; I174-K178 HydrophobicContact CG2-CD 3.88Å; I174-K178 HydrophobicContact CG2-CG 4.17Å; I174-K178 VanDerWaalsContact O-CB 3.26Å; I174-K178 WeakPolarHBondContact O-CB 3.4Å; I174-K178 VanDerWaalsContact O-CG 3.25Å; I174-K178 WeakPolarHBondContact O-CG 3.33Å; I174-K178 PolarHBondContact O-N 2.99Å
175	T	80	Confident	76.9	Confident	63 Å²	63	100.4 Å²	100.4	39%	0.387	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-42.4	176.9	-61.2	0	0	0	0	111.7	Q171 Q172 K178 N179	Q171-T175 PolarHBondContact O-N 2.93Å; Q171-T175 PolarHBondContact O-OG1 2.94Å; Q171-T175 VanDerWaalsContact O-OG1 3.05Å; Q172-T175 PolarHBondContact O-N 2.86Å; T175-K178 PolarHBondContact O-N 3.29Å; T175-N179 WeakPolarHBondContact O-CB 3.45Å; T175-N179 PolarHBondContact O-N 3.42Å
176	A	83.6	Confident	78.5	Confident	43 Å²	43	102.3 Å²	102.3	36%	0.355	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-42.4	176.9	0	0	0	0	0	111.9	Q172 Q173 I174 N179 R180	Q172-A176 VanDerWaalsContact O-CB 3.28Å; Q172-A176 WeakPolarHBondContact O-CB 3.44Å; Q172-A176 PolarHBondContact O-N 3.37Å; Q173-A176 PolarHBondContact O-N 3.4Å; I174-A176 PolarHBondContact O-N 3.33Å; A176-N179 PolarHBondContact O-N 2.85Å; A176-R180 WeakPolarHBondContact O-CB 3.26Å; A176-R180 PolarHBondContact O-N 2.88Å
177	L	87.4	Confident	80.1	Confident	103 Å²	103	101.6 Å²	101.6	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-43.6	175.5	-73.4	171.1	0	0	0	111.5	Q173 I174 N179 R180 I181	Q173-L177 VanDerWaalsContact O-CB 3.3Å; Q173-L177 WeakPolarHBondContact O-CB 3.34Å; Q173-L177 VanDerWaalsContact O-CG 3.25Å; Q173-L177 WeakPolarHBondContact O-CG 3.28Å; Q173-L177 PolarHBondContact O-N 3.35Å; I174-L177 PolarHBondContact O-N 2.91Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.23Å; L177-R180 CarbonylContact O-C 3.55Å; L177-R180 PolarHBondContact O-N 2.89Å; L177-R180 VanDerWaalsContact O-N 3.15Å; L177-I181 WeakPolarHBondContact O-CB 3.39Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.27Å; L177-I181 PolarHBondContact O-N 3.27Å
178	K	88.6	Confident	81.2	Confident	139 Å²	139	103.1 Å²	103.1	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-58.6	-43.9	173.7	-78.2	-179	176.2	-174.5	0	111.4	I174 T175 I181 A182	I174-K178 HydrophobicContact CG2-CD 3.88Å; I174-K178 HydrophobicContact CG2-CG 4.17Å; I174-K178 VanDerWaalsContact O-CB 3.26Å; I174-K178 WeakPolarHBondContact O-CB 3.4Å; I174-K178 VanDerWaalsContact O-CG 3.25Å; I174-K178 WeakPolarHBondContact O-CG 3.33Å; I174-K178 PolarHBondContact O-N 2.99Å; T175-K178 PolarHBondContact O-N 3.29Å; K178-I181 PolarHBondContact O-N 3.48Å; K178-A182 WeakPolarHBondContact O-CB 3.49Å; K178-A182 PolarHBondContact O-N 2.85Å
179	N	87.3	Confident	81.9	Confident	110 Å²	110	98.4 Å²	98.4	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-39.5	174.7	-79.9	-6.1	0	0	0	112.2	T175 A176 L177 A182 K183	T175-N179 WeakPolarHBondContact O-CB 3.45Å; T175-N179 PolarHBondContact O-N 3.42Å; A176-N179 PolarHBondContact O-N 2.85Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.23Å; N179-A182 PolarHBondContact O-N 2.92Å; N179-K183 WeakPolarHBondContact O-CB 3.46Å; N179-K183 PolarHBondContact O-N 3.27Å
180	R	91.8	Very high	82.1	Confident	183 Å²	183	102 Å²	102	69%	0.691	51%	0.514	S	S	*	.	H	α-helix	trans	-68.9	-39.2	178.1	-148.8	171	-176.6	103	-2.6	111.4	A176 L177 K183 L184	A176-R180 WeakPolarHBondContact O-CB 3.26Å; A176-R180 PolarHBondContact O-N 2.88Å; L177-R180 CarbonylContact O-C 3.55Å; L177-R180 PolarHBondContact O-N 2.89Å; L177-R180 VanDerWaalsContact O-N 3.15Å; R180-K183 PolarHBondContact O-N 3.15Å; R180-L184 WeakPolarHBondContact O-CB 3.29Å; R180-L184 VanDerWaalsContact O-CG 3.25Å; R180-L184 WeakPolarHBondContact O-CG 3.12Å; R180-L184 PolarHBondContact O-N 3.42Å
181	I	91.6	Very high	81.8	Confident	86 Å²	86	102.6 Å²	102.6	44%	0.441	52%	0.52	S	S	.	.	H	α-helix	trans	-63	-48.3	171.9	-70.5	165.5	0	0	0	109.9	L177 K178 K183 L184 Q185	L177-I181 WeakPolarHBondContact O-CB 3.39Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.27Å; L177-I181 PolarHBondContact O-N 3.27Å; K178-I181 PolarHBondContact O-N 3.48Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 2.98Å; I181-L184 PolarHBondContact O-N 2.95Å; I181-Q185 HydrophobicContact CG2-CG 4.06Å; I181-Q185 VanDerWaalsContact O-CB 3.25Å; I181-Q185 WeakPolarHBondContact O-CB 3.28Å; I181-Q185 WeakPolarHBondContact O-CG 3.45Å; I181-Q185 PolarHBondContact O-N 3.48Å
182	A	91	Very high	81.2	Confident	50 Å²	50	100 Å²	100	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-59	-39.7	176.7	0	0	0	0	0	112	K178 N179 S186	K178-A182 WeakPolarHBondContact O-CB 3.49Å; K178-A182 PolarHBondContact O-N 2.85Å; N179-A182 PolarHBondContact O-N 2.92Å; A182-S186 VanDerWaalsContact O-CB 3.31Å; A182-S186 WeakPolarHBondContact O-CB 3.36Å; A182-S186 PolarHBondContact O-N 3.33Å
183	K	90.5	Very high	80.6	Confident	145 Å²	145	98.6 Å²	98.6	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-68.7	-42.3	176.6	-157.3	171.1	-171.7	175.9	0	112.2	N179 R180 I181 S186 Q187	N179-K183 WeakPolarHBondContact O-CB 3.46Å; N179-K183 PolarHBondContact O-N 3.27Å; R180-K183 PolarHBondContact O-N 3.15Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 2.98Å; K183-S186 PolarHBondContact O-N 3.08Å; K183-Q187 WeakPolarHBondContact O-CB 3.43Å; K183-Q187 VanDerWaalsContact O-CG 3.27Å; K183-Q187 WeakPolarHBondContact O-CG 3.45Å; K183-Q187 PolarHBondContact O-N 3.43Å
184	L	88.9	Confident	79.3	Confident	94 Å²	94	97.6 Å²	97.6	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-68.1	-37.8	175.2	-73.2	170.8	0	0	0	112	R180 I181 Q187 L188	R180-L184 WeakPolarHBondContact O-CB 3.29Å; R180-L184 VanDerWaalsContact O-CG 3.25Å; R180-L184 WeakPolarHBondContact O-CG 3.12Å; R180-L184 PolarHBondContact O-N 3.42Å; I181-L184 PolarHBondContact O-N 2.95Å; L184-Q187 PolarHBondContact O-N 3.02Å; L184-L188 WeakPolarHBondContact O-CB 3.47Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.18Å
185	Q	88.7	Confident	77.6	Confident	125 Å²	125	105.1 Å²	105.1	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-64.5	-43.9	173.4	-76.9	174.7	-29.4	0	0	110.8	I181 L188 A189	I181-Q185 HydrophobicContact CG2-CG 4.06Å; I181-Q185 VanDerWaalsContact O-CB 3.25Å; I181-Q185 WeakPolarHBondContact O-CB 3.28Å; I181-Q185 WeakPolarHBondContact O-CG 3.45Å; I181-Q185 PolarHBondContact O-N 3.48Å; Q185-L188 PolarHBondContact O-N 3.47Å; Q185-A189 WeakPolarHBondContact O-CB 3.3Å; Q185-A189 PolarHBondContact O-N 3.44Å
186	S	81.7	Confident	75.8	Confident	67 Å²	67	107.6 Å²	107.6	47%	0.469	56%	0.563	S	S	.	*	H	α-helix	trans	-62.6	-42.4	173.2	175.2	0	0	0	0	111.9	A182 K183 A189 L190	A182-S186 VanDerWaalsContact O-CB 3.31Å; A182-S186 WeakPolarHBondContact O-CB 3.36Å; A182-S186 PolarHBondContact O-N 3.33Å; K183-S186 PolarHBondContact O-N 3.08Å; S186-A189 PolarHBondContact O-N 2.91Å; S186-L190 WeakPolarHBondContact O-CB 3.46Å; S186-L190 WeakPolarHBondContact O-CG 3.48Å; S186-L190 PolarHBondContact O-N 2.92Å
187	Q	86.5	Confident	73.8	Confident	102 Å²	102	113.9 Å²	113.9	48%	0.477	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-36.3	175	-75.8	177.1	-9.3	0	0	112.9	K183 L184 K191	K183-Q187 WeakPolarHBondContact O-CB 3.43Å; K183-Q187 VanDerWaalsContact O-CG 3.27Å; K183-Q187 WeakPolarHBondContact O-CG 3.45Å; K183-Q187 PolarHBondContact O-N 3.43Å; L184-Q187 PolarHBondContact O-N 3.02Å; Q187-K191 WeakPolarHBondContact O-CB 3.45Å; Q187-K191 PolarHBondContact O-N 3.42Å
188	L	74.9	Confident	71.4	Confident	117 Å²	117	115.4 Å²	115.4	61%	0.613	59%	0.594	S	S	*	*	H	α-helix	trans	-71.9	-36.3	174.2	-85	167.3	0	0	0	112	L184 Q185 K191 S192	L184-L188 WeakPolarHBondContact O-CB 3.47Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.18Å; Q185-L188 PolarHBondContact O-N 3.47Å; L188-K191 PolarHBondContact O-N 3.13Å; L188-S192 VanDerWaalsContact O-CB 3.24Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 2.86Å; L188-S192 PolarHBondContact O-OG 3.23Å
189	A	76.9	Confident	69.2	Low	57 Å²	57	116.3 Å²	116.3	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-63.2	-43.8	172.3	0	0	0	0	0	110.9	Q185 S186 S192 S193	Q185-A189 WeakPolarHBondContact O-CB 3.3Å; Q185-A189 PolarHBondContact O-N 3.44Å; S186-A189 PolarHBondContact O-N 2.91Å; A189-S192 WeakPolarHBondContact CA-OG 3.47Å; A189-S192 PolarHBondContact O-N 2.83Å; A189-S192 PolarHBondContact O-OG 3.06Å; A189-S193 WeakPolarHBondContact O-CB 3.41Å; A189-S193 PolarHBondContact O-N 3.31Å
190	L	67.9	Low	66.8	Low	108 Å²	108	117.8 Å²	117.8	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-62	-51.5	172.7	-77.1	160.1	0	0	0	111.4	S186 S192 S193 S194	S186-L190 WeakPolarHBondContact O-CB 3.46Å; S186-L190 WeakPolarHBondContact O-CG 3.48Å; S186-L190 PolarHBondContact O-N 2.92Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.06Å; L190-S193 CarbonylContact O-C 3.58Å; L190-S193 PolarHBondContact O-N 2.95Å; L190-S193 VanDerWaalsContact O-N 3.13Å; L190-S194 PolarHBondContact O-N 3.45Å; L190-S194 PolarHBondContact O-OG 3.21Å
191	K	64.6	Low	64.3	Low	160 Å²	160	118 Å²	118	70%	0.696	62%	0.619	S	S	*	*	H	α-helix	trans	-63.6	-33.2	178.9	-96.5	-170.6	172.2	-169.1	0	113.9	Q187 L188 S194 R195	Q187-K191 WeakPolarHBondContact O-CB 3.45Å; Q187-K191 PolarHBondContact O-N 3.42Å; L188-K191 PolarHBondContact O-N 3.13Å; K191-S194 PolarHBondContact O-N 3.46Å; K191-R195 PolarHBondContact O-N 3.39Å
192	S	58.3	Low	61.5	Low	79 Å²	79	122.5 Å²	122.5	55%	0.552	64%	0.636	S	S	*	*	H	α-helix	trans	-73.7	-32.9	175	51.6	0	0	0	0	111.4	L188 A189 L190	L188-S192 VanDerWaalsContact O-CB 3.24Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 2.86Å; L188-S192 PolarHBondContact O-OG 3.23Å; A189-S192 WeakPolarHBondContact CA-OG 3.47Å; A189-S192 PolarHBondContact O-N 2.83Å; A189-S192 PolarHBondContact O-OG 3.06Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.06Å
193	S	55.7	Low	58.9	Low	88 Å²	88	126 Å²	126	62%	0.615	65%	0.648	S	S	*	*	H	α-helix	trans	-73	-27.5	171	-163.1	0	0	0	0	113.3	A189 L190 T196	A189-S193 WeakPolarHBondContact O-CB 3.41Å; A189-S193 PolarHBondContact O-N 3.31Å; L190-S193 CarbonylContact O-C 3.58Å; L190-S193 PolarHBondContact O-N 2.95Å; L190-S193 VanDerWaalsContact O-N 3.13Å; S193-T196 PolarHBondContact O-OG1 2.88Å
194	S	50.1	Low	56.5	Low	74 Å²	74	125.9 Å²	125.9	52%	0.517	65%	0.654	S	S	.	*	H	α-helix	trans	-78.7	-17.6	176.7	-49.1	0	0	0	0	113.3	L190 K191 T196	L190-S194 PolarHBondContact O-N 3.45Å; L190-S194 PolarHBondContact O-OG 3.21Å; K191-S194 PolarHBondContact O-N 3.46Å; S194-T196 PolarHBondContact O-N 2.96Å; S194-T196 VanDerWaalsContact O-N 3.14Å
195	R	43.8	Very low	54.2	Low	215 Å²	215	129.2 Å²	129.2	81%	0.811	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	5.2	-176.3	-146.5	-179.5	-178.4	-175.3	-0.8	113.8	K191	K191-R195 PolarHBondContact O-N 3.39Å
196	T	41.4	Very low	51.7	Low	115 Å²	115	132 Å²	132	71%	0.706	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-3.2	-179.9	46.1	0	0	0	0	115.2	S193 S194	S193-T196 PolarHBondContact O-OG1 2.88Å; S194-T196 PolarHBondContact O-N 2.96Å; S194-T196 VanDerWaalsContact O-N 3.14Å
197	E	43.1	Very low	49.7	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.813	70%	0.698	S	S	*	*			trans	-133	24.3	-180	-66.7	-167.2	174	0	0	115.1	L199	E197-L199 VanDerWaalsContact C-N 3.26Å; E197-L199 PolarHBondContact O-N 3.25Å; E197-L199 VanDerWaalsContact O-N 3.13Å
198	D	35.3	Very low	47.6	Very low	135 Å²	135	140 Å²	140	72%	0.722	72%	0.718	S	S	*	*			trans	-84.5	55.7	170.7	-80.3	-24.2	0	0	0	112.1
199	L	42.5	Very low	46	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	73%	0.73	S	S	*	*			trans	-150.1	131	161.2	-72.6	177.1	0	0	0	109	E197	E197-L199 VanDerWaalsContact C-N 3.26Å; E197-L199 PolarHBondContact O-N 3.25Å; E197-L199 VanDerWaalsContact O-N 3.13Å
200	I	38.6	Very low	44.2	Very low	141 Å²	141	148 Å²	148	72%	0.723	75%	0.75	S	S	*	*	S	Bend	trans	83.1	83.9	172.6	-33.5	177.5	0	0	0	115.2
201	H	38.5	Very low	43.1	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.866	76%	0.759	S	S	*	*				177.3	102	107.2	-92.9	-65.6	0	0	0	109.5
202	K	32	Very low	41.8	Very low	181 Å²	181	143.9 Å²	143.9	79%	0.787	76%	0.762	S	S	*	*			trans	-100.8	144.8	168.5	-169.6	-172	169.9	179.1	0	106.2
203	D	36.6	Very low	41.1	Very low	124 Å²	124	145 Å²	145	66%	0.663	78%	0.776	S	S	*	*			trans	100.4	113.3	167.8	-54.2	-30.7	0	0	0	117.5
204	N	40.8	Very low	40.5	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	78%	0.781	S	S	*	*			trans	84.4	89.1	147.8	-50.9	-22	0	0	0	119.3
205	I	40.5	Very low	39.8	Very low	163 Å²	163	151.4 Å²	151.4	84%	0.836	79%	0.793	S	S	*	*				-151.7	100.9	127.6	-81.3	126.6	0	0	0	106.7
206	E	36.4	Very low	39.8	Very low	183 Å²	183	151.2 Å²	151.2	86%	0.855	80%	0.799	S	S	*	*			trans	-73.3	112.1	153.9	-65.1	175.3	165	0	0	105.9
207	N	40.2	Very low	39.8	Very low	146 Å²	146	148.5 Å²	148.5	78%	0.781	79%	0.794	S	S	*	*			trans	158.7	86.4	157.1	-80.3	-20.9	0	0	0	108.6
208	E	42	Very low	39.8	Very low	193 Å²	193	146.3 Å²	146.3	90%	0.902	79%	0.786	S	S	*	*			trans	-165.4	97.7	143.6	-109.1	171.1	-150.3	0	0	108.4	F210	E208-F210 PolarHBondContact O-N 3.43Å
209	T	40	Very low	40.1	Very low	141 Å²	141	146 Å²	146	87%	0.865	79%	0.785	S	S	*	*			trans	-52.9	98.9	164.3	44.1	0	0	0	0	109.9	S211	T209-S211 PolarHBondContact O-N 2.78Å
210	F	39.3	Very low	39.9	Very low	200 Å²	200	148.4 Å²	148.4	88%	0.877	78%	0.784	S	S	*	*				37.2	74.2	122	-164.7	-107	0	0	0	115.6	E208 G212	E208-F210 PolarHBondContact O-N 3.43Å; F210-G212 PolarHBondContact O-N 2.95Å
211	S	44.7	Very low	40.3	Very low	110 Å²	110	151 Å²	151	77%	0.769	79%	0.791	S	S	*	*			trans	21.7	85.5	142	-167.7	0	0	0	0	118.6	T209	T209-S211 PolarHBondContact O-N 2.78Å
212	G	36.8	Very low	40.5	Very low	72 Å²	72	149.6 Å²	149.6	74%	0.742	79%	0.785	S	S	*	*				29.9	91.4	126.1	0	0	0	0	0	119.7	F210	F210-G212 PolarHBondContact O-N 2.95Å
213	A	43.6	Very low	40.9	Very low	103 Å²	103	147.8 Å²	147.8	85%	0.851	78%	0.784	S	S	*	*			trans	-149.4	34.4	153.7	0	0	0	0	0	111.6
214	T	43.3	Very low	41.3	Very low	118 Å²	118	148.8 Å²	148.8	72%	0.724	79%	0.789	S	S	*	*	S	Bend	trans	-94.1	106.9	168.7	46.4	0	0	0	0	109	F216	T214-F216 PolarHBondContact O-N 3.47Å; T214-F216 VanDerWaalsContact O-N 3.1Å
215	F	36.5	Very low	41.4	Very low	177 Å²	177	148.8 Å²	148.8	78%	0.776	79%	0.789	S	S	*	*				35.1	74.2	127.9	-165.6	-104.1	0	0	0	113.8	G217 I218	F215-G217 PolarHBondContact O-N 2.85Å; F215-I218 HydrophobicContact CZ-CD1 4.06Å
216	F	42.9	Very low	41.7	Very low	212 Å²	212	148.1 Å²	148.1	93%	0.93	79%	0.787	S	S	*	*			trans	-65	101.4	172.3	-84.8	-84.8	0	0	0	109.4	T214	T214-F216 PolarHBondContact O-N 3.47Å; T214-F216 VanDerWaalsContact O-N 3.1Å
217	G	41.9	Very low	42.3	Very low	58 Å²	58	146.8 Å²	146.8	60%	0.598	79%	0.786	S	S	*	*				66	66.9	121.4	0	0	0	0	0	115.8	F215 N219	F215-G217 PolarHBondContact O-N 2.85Å; G217-N219 PolarHBondContact O-N 3.47Å
218	I	42.4	Very low	42.7	Very low	128 Å²	128	147.1 Å²	147.1	66%	0.656	79%	0.787	S	S	*	*			trans	-63.2	84.7	140.7	-71.5	162	0	0	0	105.8	F215 Y220	F215-I218 HydrophobicContact CZ-CD1 4.06Å; I218-Y220 HydrophobicContact CG2-CE2 4.38Å
219	N	41.8	Very low	43.2	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	77%	0.766	S	S	*	*			trans	-109.3	114.4	166.4	-108.5	-10.8	0	0	0	107.7	G217 F221	G217-N219 PolarHBondContact O-N 3.47Å; N219-F221 WeakPolarHBondContact O-CD2 3.42Å; N219-F221 PolarHBondContact O-N 2.84Å
220	Y	39.8	Very low	43.8	Very low	208 Å²	208	140.4 Å²	140.4	82%	0.816	76%	0.757	S	S	*	*			trans	-44.7	109.5	164.3	-65.5	-100.9	0	0	0	110.3	I218	I218-Y220 HydrophobicContact CG2-CE2 4.38Å
221	F	45.7	Very low	44.4	Very low	196 Å²	196	137.6 Å²	137.6	86%	0.86	75%	0.747	S	S	*	*			trans	-98.4	86.4	152.2	-67.3	-82.7	0	0	0	103.6	N219	N219-F221 WeakPolarHBondContact O-CD2 3.42Å; N219-F221 PolarHBondContact O-N 2.84Å
222	Q	44.2	Very low	45.1	Very low	157 Å²	157	134.3 Å²	134.3	73%	0.734	72%	0.724	S	S	*	*				41.2	102.2	94.3	-165.7	67.3	43.3	0	0	110.5	D224	Q222-D224 PolarHBondContact O-N 3.36Å
223	D	39.8	Very low	46.7	Very low	143 Å²	143	136 Å²	136	77%	0.765	72%	0.721	S	S	*	*			trans	-52.7	95.5	169.8	-51.9	-62.8	0	0	0	109.5
224	D	44.1	Very low	48.2	Very low	145 Å²	145	139 Å²	139	78%	0.775	72%	0.716	S	S	*	*			trans	-115.1	81.5	147.5	-95.8	-34.7	0	0	0	105.6	Q222 N226	Q222-D224 PolarHBondContact O-N 3.36Å; D224-N226 PolarHBondContact O-N 2.94Å; D224-N226 VanDerWaalsContact O-N 3.09Å
225	D	42.8	Very low	49.7	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	70%	0.696	S	S	*	*			trans	-36.8	112.1	137.1	-90.8	-32.3	0	0	0	106.6
226	N	48.1	Very low	51.8	Low	149 Å²	149	130.9 Å²	130.9	80%	0.797	68%	0.678	S	S	*	*	S	Bend	trans	155.4	112.4	151.5	-76.6	-44.6	0	0	0	107.6	D224	D224-N226 PolarHBondContact O-N 2.94Å; D224-N226 VanDerWaalsContact O-N 3.09Å
227	N	49.1	Very low	53.7	Low	156 Å²	156	126.2 Å²	126.2	83%	0.834	66%	0.658	S	S	*	*			trans	76.4	41.9	157.1	-141.3	5.2	0	0	0	115.8	D229	N227-D229 PolarHBondContact O-N 3.4Å
228	L	48.5	Very low	55.8	Low	153 Å²	153	127.7 Å²	127.7	80%	0.801	65%	0.652	S	S	*	*			trans	-68.9	84.6	152	-127	78.8	0	0	0	107	P230	L228-P230 WeakPolarHBondContact O-CD 3.46Å
229	D	51.2	Low	57.9	Low	87 Å²	87	125.3 Å²	125.3	47%	0.465	64%	0.639	S	S	.	*			trans	-48	114.2	167.1	178.5	13	0	0	0	107.9	N227 Q231 S232	N227-D229 PolarHBondContact O-N 3.4Å; D229-Q231 PolarHBondContact O-N 2.92Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.41Å; D229-Q231 PolarHBondContact OD1-N 3.23Å; D229-Q231 VanDerWaalsContact OD1-N 3.16Å; D229-S232 PolarHBondContact O-N 3.35Å
230	P	52.5	Low	60	Low	105 Å²	105	124.1 Å²	124.1	68%	0.682	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-5.7	179.1	-21.6	33.3	0	0	0	113.1	L228	L228-P230 WeakPolarHBondContact O-CD 3.46Å
231	Q	53.7	Low	62.4	Low	142 Å²	142	118.3 Å²	118.3	66%	0.664	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	14	-179.6	-62.6	-73.3	-21.6	0	0	114.6	D229 P233	D229-Q231 PolarHBondContact O-N 2.92Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.41Å; D229-Q231 PolarHBondContact OD1-N 3.23Å; D229-Q231 VanDerWaalsContact OD1-N 3.16Å; Q231-P233 WeakPolarHBondContact O-CD 3.36Å
232	S	58.5	Low	64.4	Low	40 Å²	40	112.8 Å²	112.8	28%	0.28	59%	0.589	S	S	.	*			trans	-68.2	128.1	174.9	89.7	0	0	0	0	111	D229 K234 V235 N236	D229-S232 PolarHBondContact O-N 3.35Å; S232-K234 PolarHBondContact O-N 3.15Å; S232-V235 PolarHBondContact O-N 3.4Å; S232-V235 WeakPolarHBondContact OG-CG2 3.43Å; S232-V235 PolarHBondContact OG-N 2.88Å; S232-N236 PolarHBondContact O-N 2.98Å
233	P	70.1	Confident	66.7	Low	107 Å²	107	110.8 Å²	110.8	70%	0.695	58%	0.58	S	S	*	*	H	α-helix	trans	-61.6	-20.7	-177.8	20.4	-31.2	0	0	0	113.2	Q231 H237	Q231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-H237 VanDerWaalsContact O-CB 3.23Å; P233-H237 WeakPolarHBondContact O-CB 3.34Å; P233-H237 PolarHBondContact O-N 2.93Å
234	K	76	Confident	69.1	Low	168 Å²	168	108.2 Å²	108.2	73%	0.73	57%	0.566	S	S	*	*	H	α-helix	trans	-70.5	-42.9	174.6	-67.8	-179.5	-178.9	175.6	0	112.3	S232 H237 I238	S232-K234 PolarHBondContact O-N 3.15Å; K234-H237 PolarHBondContact O-N 3.22Å; K234-I238 VanDerWaalsContact O-CG1 3.26Å; K234-I238 WeakPolarHBondContact O-CG1 3.21Å; K234-I238 PolarHBondContact O-N 3.19Å
235	V	75.1	Confident	71.5	Confident	52 Å²	52	106 Å²	106	32%	0.315	55%	0.55	S	S	.	*	H	α-helix	trans	-67.3	-45.4	178.9	172.5	0	0	0	0	109.9	S232 H237 I238 I239	S232-V235 PolarHBondContact O-N 3.4Å; S232-V235 WeakPolarHBondContact OG-CG2 3.43Å; S232-V235 PolarHBondContact OG-N 2.88Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-H237 PolarHBondContact O-N 3.28Å; V235-I238 PolarHBondContact O-N 3.3Å; V235-I238 VanDerWaalsContact O-N 3.16Å; V235-I239 HydrophobicContact CG1-CD1 3.92Å; V235-I239 WeakPolarHBondContact O-CG1 3.32Å; V235-I239 PolarHBondContact O-N 3.47Å
236	N	80.4	Confident	73.9	Confident	72 Å²	72	102.8 Å²	102.8	39%	0.385	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-40.8	174.7	-69.7	-26.2	0	0	0	112.2	S232 I238 I239 E240	S232-N236 PolarHBondContact O-N 2.98Å; N236-I238 PolarHBondContact O-N 3.01Å; N236-I239 PolarHBondContact O-N 3.07Å; N236-E240 WeakPolarHBondContact O-CB 3.5Å; N236-E240 PolarHBondContact O-N 3.44Å
237	H	82.9	Confident	76.1	Confident	113 Å²	113	98.4 Å²	98.4	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-37.7	175.4	-173.2	61	0	0	0	113	P233 K234 V235 E240 Q241	P233-H237 VanDerWaalsContact O-CB 3.23Å; P233-H237 WeakPolarHBondContact O-CB 3.34Å; P233-H237 PolarHBondContact O-N 2.93Å; K234-H237 PolarHBondContact O-N 3.22Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-H237 PolarHBondContact O-N 3.28Å; H237-E240 IonicContact ND1-OE2 3.83Å; H237-Q241 VanDerWaalsContact O-CB 3.24Å; H237-Q241 WeakPolarHBondContact O-CB 3.36Å; H237-Q241 PolarHBondContact O-N 2.73Å
238	I	85.3	Confident	78.2	Confident	89 Å²	89	94.3 Å²	94.3	46%	0.456	50%	0.497	S	S	.	.	H	α-helix	trans	-66.5	-41.4	175	-68.9	163.5	0	0	0	110.6	K234 V235 N236 Q241 N242	K234-I238 VanDerWaalsContact O-CG1 3.26Å; K234-I238 WeakPolarHBondContact O-CG1 3.21Å; K234-I238 PolarHBondContact O-N 3.19Å; V235-I238 PolarHBondContact O-N 3.3Å; V235-I238 VanDerWaalsContact O-N 3.16Å; N236-I238 PolarHBondContact O-N 3.01Å; I238-Q241 PolarHBondContact O-N 2.9Å; I238-N242 WeakPolarHBondContact O-CB 3.47Å; I238-N242 PolarHBondContact O-N 2.96Å; I238-N242 PolarHBondContact O-ND2 3.12Å
239	I	85.9	Confident	80.4	Confident	78 Å²	78	91.2 Å²	91.2	40%	0.4	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-51.9	175.3	-66.9	166.4	0	0	0	109.6	V235 N236 Q241 N242 E243	V235-I239 HydrophobicContact CG1-CD1 3.92Å; V235-I239 WeakPolarHBondContact O-CG1 3.32Å; V235-I239 PolarHBondContact O-N 3.47Å; N236-I239 PolarHBondContact O-N 3.07Å; I239-Q241 VanDerWaalsContact C-N 3.33Å; I239-Q241 PolarHBondContact O-N 3.33Å; I239-N242 CarbonylContact O-C 3.56Å; I239-N242 PolarHBondContact O-N 3.23Å; I239-E243 HydrophobicContact CG2-CG 4.28Å; I239-E243 WeakPolarHBondContact O-CG 3.36Å; I239-E243 PolarHBondContact O-N 2.95Å
240	E	87.3	Confident	82.5	Confident	105 Å²	105	91.4 Å²	91.4	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-57.2	-44.6	177.1	-177.6	-173.3	-172	0	0	111.6	N236 H237 N242 E243 N244	N236-E240 WeakPolarHBondContact O-CB 3.5Å; N236-E240 PolarHBondContact O-N 3.44Å; H237-E240 IonicContact ND1-OE2 3.83Å; E240-N242 VanDerWaalsContact C-N 3.31Å; E240-N242 PolarHBondContact O-N 3.23Å; E240-E243 PolarHBondContact O-N 3.33Å; E240-N244 VanDerWaalsContact O-CB 3.31Å; E240-N244 WeakPolarHBondContact O-CB 3.37Å; E240-N244 PolarHBondContact O-N 3.13Å; E240-N244 PolarHBondContact O-ND2 3.15Å; E240-N244 VanDerWaalsContact O-ND2 3.14Å
241	Q	88.5	Confident	84.5	Confident	86 Å²	86	92.4 Å²	92.4	40%	0.402	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-38.9	177	-166.8	-170.6	14.3	0	0	111.6	H237 I238 I239 K245	H237-Q241 VanDerWaalsContact O-CB 3.24Å; H237-Q241 WeakPolarHBondContact O-CB 3.36Å; H237-Q241 PolarHBondContact O-N 2.73Å; I238-Q241 PolarHBondContact O-N 2.9Å; I239-Q241 VanDerWaalsContact C-N 3.33Å; I239-Q241 PolarHBondContact O-N 3.33Å; Q241-K245 WeakPolarHBondContact O-CB 3.4Å; Q241-K245 VanDerWaalsContact O-CG 3.23Å; Q241-K245 WeakPolarHBondContact O-CG 3.16Å; Q241-K245 PolarHBondContact O-N 3.5Å
242	N	88.6	Confident	86.5	Confident	79 Å²	79	90.6 Å²	90.6	42%	0.422	47%	0.47	S	S	.	.	H	α-helix	trans	-70.3	-40.6	176.9	-75.1	-19.3	0	0	0	111.7	I238 I239 E240 N244 K245 T246	I238-N242 WeakPolarHBondContact O-CB 3.47Å; I238-N242 PolarHBondContact O-N 2.96Å; I238-N242 PolarHBondContact O-ND2 3.12Å; I239-N242 CarbonylContact O-C 3.56Å; I239-N242 PolarHBondContact O-N 3.23Å; E240-N242 VanDerWaalsContact C-N 3.31Å; E240-N242 PolarHBondContact O-N 3.23Å; N242-N244 VanDerWaalsContact C-N 3.33Å; N242-N244 PolarHBondContact O-N 3.16Å; N242-K245 PolarHBondContact O-N 3.31Å; N242-T246 WeakPolarHBondContact O-CG2 3.43Å; N242-T246 PolarHBondContact O-N 2.86Å; N242-T246 PolarHBondContact O-OG1 3.5Å
243	E	92.1	Very high	88.3	Confident	115 Å²	115	94.3 Å²	94.3	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-39.6	173	-72.8	178.7	170.6	0	0	111.9	I239 E240 T246 S247	I239-E243 HydrophobicContact CG2-CG 4.28Å; I239-E243 WeakPolarHBondContact O-CG 3.36Å; I239-E243 PolarHBondContact O-N 2.95Å; E240-E243 PolarHBondContact O-N 3.33Å; E243-T246 WeakPolarHBondContact CA-OG1 3.38Å; E243-T246 PolarHBondContact O-OG1 2.85Å; E243-S247 WeakPolarHBondContact O-CB 3.27Å; E243-S247 PolarHBondContact O-N 2.89Å; E243-S247 PolarHBondContact O-OG 3.34Å
244	N	91.4	Very high	89.5	Confident	90 Å²	90	93.2 Å²	93.2	48%	0.481	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-41.4	173.8	-73.7	-30.3	0	0	0	111.5	E240 N242 T248	E240-N244 VanDerWaalsContact O-CB 3.31Å; E240-N244 WeakPolarHBondContact O-CB 3.37Å; E240-N244 PolarHBondContact O-N 3.13Å; E240-N244 PolarHBondContact O-ND2 3.15Å; E240-N244 VanDerWaalsContact O-ND2 3.14Å; N242-N244 VanDerWaalsContact C-N 3.33Å; N242-N244 PolarHBondContact O-N 3.16Å; N244-T248 WeakPolarHBondContact O-CB 3.45Å; N244-T248 PolarHBondContact O-N 3.45Å; N244-T248 PolarHBondContact O-OG1 3.25Å
245	K	94.1	Very high	90.5	Very high	99 Å²	99	89.7 Å²	89.7	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-46.6	174.7	-75	167.7	-176.1	165.9	0	111.7	Q241 N242 T248 I249	Q241-K245 WeakPolarHBondContact O-CB 3.4Å; Q241-K245 VanDerWaalsContact O-CG 3.23Å; Q241-K245 WeakPolarHBondContact O-CG 3.16Å; Q241-K245 PolarHBondContact O-N 3.5Å; N242-K245 PolarHBondContact O-N 3.31Å; K245-T248 PolarHBondContact O-N 3.49Å; K245-I249 WeakPolarHBondContact O-CB 3.46Å; K245-I249 WeakPolarHBondContact O-CD1 3.48Å; K245-I249 VanDerWaalsContact O-CG1 3.22Å; K245-I249 WeakPolarHBondContact O-CG1 3.31Å; K245-I249 PolarHBondContact O-N 3.44Å
246	T	93.5	Very high	91.4	Very high	74 Å²	74	93.5 Å²	93.5	45%	0.454	47%	0.47	S	S	.	.	H	α-helix	trans	-65.4	-41.1	178.6	55	0	0	0	0	111.1	N242 E243 T248 I249 I250	N242-T246 WeakPolarHBondContact O-CG2 3.43Å; N242-T246 PolarHBondContact O-N 2.86Å; N242-T246 PolarHBondContact O-OG1 3.5Å; E243-T246 WeakPolarHBondContact CA-OG1 3.38Å; E243-T246 PolarHBondContact O-OG1 2.85Å; T246-T248 VanDerWaalsContact C-N 3.35Å; T246-T248 PolarHBondContact O-N 2.98Å; T246-I249 PolarHBondContact O-N 3.23Å; T246-I250 VanDerWaalsContact O-CG1 3.28Å; T246-I250 WeakPolarHBondContact O-CG1 3Å; T246-I250 PolarHBondContact O-N 2.8Å
247	S	93.7	Very high	92.2	Very high	56 Å²	56	95.8 Å²	95.8	39%	0.392	48%	0.477	S	S	.	.	H	α-helix	trans	-59.8	-44.1	173.4	-62.3	0	0	0	0	111.9	E243 I250 Q251	E243-S247 WeakPolarHBondContact O-CB 3.27Å; E243-S247 PolarHBondContact O-N 2.89Å; E243-S247 PolarHBondContact O-OG 3.34Å; S247-I250 PolarHBondContact O-N 3.49Å; S247-Q251 VanDerWaalsContact O-CG 3.3Å; S247-Q251 WeakPolarHBondContact O-CG 3.29Å; S247-Q251 PolarHBondContact O-N 3.3Å
248	T	93.8	Very high	92.9	Very high	71 Å²	71	96.9 Å²	96.9	44%	0.436	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-41.3	175.6	-54.1	0	0	0	0	111.3	N244 K245 T246 Q251 L252	N244-T248 WeakPolarHBondContact O-CB 3.45Å; N244-T248 PolarHBondContact O-N 3.45Å; N244-T248 PolarHBondContact O-OG1 3.25Å; K245-T248 PolarHBondContact O-N 3.49Å; T246-T248 VanDerWaalsContact C-N 3.35Å; T246-T248 PolarHBondContact O-N 2.98Å; T248-Q251 PolarHBondContact O-N 2.98Å; T248-L252 HydrophobicContact CG2-CD1 4.12Å; T248-L252 HydrophobicContact CG2-CG 4.48Å; T248-L252 WeakPolarHBondContact O-CB 3.32Å; T248-L252 VanDerWaalsContact O-CG 3.28Å; T248-L252 WeakPolarHBondContact O-CG 3.47Å; T248-L252 PolarHBondContact O-N 3.37Å
249	I	93.9	Very high	93.4	Very high	88 Å²	88	97.6 Å²	97.6	45%	0.451	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177	-71.5	163.6	0	0	0	110.9	K245 T246 L252 Q253	K245-I249 WeakPolarHBondContact O-CB 3.46Å; K245-I249 WeakPolarHBondContact O-CD1 3.48Å; K245-I249 VanDerWaalsContact O-CG1 3.22Å; K245-I249 WeakPolarHBondContact O-CG1 3.31Å; K245-I249 PolarHBondContact O-N 3.44Å; T246-I249 PolarHBondContact O-N 3.23Å; I249-L252 PolarHBondContact O-N 2.91Å; I249-Q253 HydrophobicContact CG2-CG 4.39Å; I249-Q253 WeakPolarHBondContact O-CB 3.45Å; I249-Q253 VanDerWaalsContact O-CG 3.27Å; I249-Q253 WeakPolarHBondContact O-CG 3.47Å; I249-Q253 PolarHBondContact O-N 3.49Å
250	I	94.7	Very high	93.9	Very high	91 Å²	91	98.8 Å²	98.8	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-45.4	177.3	-68.5	164	0	0	0	110.2	T246 S247 L252 Q253 D254	T246-I250 VanDerWaalsContact O-CG1 3.28Å; T246-I250 WeakPolarHBondContact O-CG1 3Å; T246-I250 PolarHBondContact O-N 2.8Å; S247-I250 PolarHBondContact O-N 3.49Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 3.32Å; I250-Q253 PolarHBondContact O-N 3.43Å; I250-D254 PolarHBondContact O-N 2.88Å
251	Q	95.5	Very high	94.3	Very high	126 Å²	126	98.8 Å²	98.8	59%	0.589	48%	0.484	S	S	*	.	H	α-helix	trans	-59.6	-43.6	176.3	-73.5	174	10.1	0	0	112.4	S247 T248 D254 E255	S247-Q251 VanDerWaalsContact O-CG 3.3Å; S247-Q251 WeakPolarHBondContact O-CG 3.29Å; S247-Q251 PolarHBondContact O-N 3.3Å; T248-Q251 PolarHBondContact O-N 2.98Å; Q251-D254 PolarHBondContact O-N 3.44Å; Q251-E255 WeakPolarHBondContact O-CB 3.44Å; Q251-E255 PolarHBondContact O-N 3.07Å
252	L	95.3	Very high	94.7	Very high	103 Å²	103	99.4 Å²	99.4	54%	0.539	49%	0.49	S	S	.	.	H	α-helix	trans	-66.2	-36.2	176.1	-72.4	171.9	0	0	0	112.2	T248 I249 I250 K256	T248-L252 HydrophobicContact CG2-CD1 4.12Å; T248-L252 HydrophobicContact CG2-CG 4.48Å; T248-L252 WeakPolarHBondContact O-CB 3.32Å; T248-L252 VanDerWaalsContact O-CG 3.28Å; T248-L252 WeakPolarHBondContact O-CG 3.47Å; T248-L252 PolarHBondContact O-N 3.37Å; I249-L252 PolarHBondContact O-N 2.91Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 3.32Å; L252-K256 WeakPolarHBondContact O-CB 3.49Å; L252-K256 PolarHBondContact O-N 3.25Å
253	Q	96.4	Very high	95	Very high	119 Å²	119	99.7 Å²	99.7	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-66.8	-43.9	175.1	-76.5	175	-22.3	0	0	111.7	I249 I250 K256 K257	I249-Q253 HydrophobicContact CG2-CG 4.39Å; I249-Q253 WeakPolarHBondContact O-CB 3.45Å; I249-Q253 VanDerWaalsContact O-CG 3.27Å; I249-Q253 WeakPolarHBondContact O-CG 3.47Å; I249-Q253 PolarHBondContact O-N 3.49Å; I250-Q253 PolarHBondContact O-N 3.43Å; Q253-K256 PolarHBondContact O-N 3.42Å; Q253-K257 PolarHBondContact O-N 2.87Å
254	D	95.3	Very high	95.2	Very high	84 Å²	84	98.1 Å²	98.1	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-40.2	175.3	-78.8	-14.6	0	0	0	111.7	I250 Q251 K257 R258	I250-D254 PolarHBondContact O-N 2.88Å; Q251-D254 PolarHBondContact O-N 3.44Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-R258 WeakPolarHBondContact O-CG 3.37Å; D254-R258 PolarHBondContact O-N 3.12Å
255	E	96.4	Very high	95.4	Very high	93 Å²	93	97.4 Å²	97.4	44%	0.435	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-44.5	174.3	-171.6	-179.4	173.8	0	0	111.9	Q251 K257 R258 L259	Q251-E255 WeakPolarHBondContact O-CB 3.44Å; Q251-E255 PolarHBondContact O-N 3.07Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 3.01Å; E255-R258 PolarHBondContact O-N 3.37Å; E255-L259 HydrophobicContact CG-CD1 4.13Å; E255-L259 WeakPolarHBondContact O-CG 3.31Å; E255-L259 PolarHBondContact O-N 3.47Å
256	K	95.5	Very high	95.4	Very high	132 Å²	132	97 Å²	97	57%	0.574	49%	0.491	S	S	*	.	H	α-helix	trans	-56.7	-46.5	174.5	178.9	-176.7	169.6	-174.8	0	111.1	L252 Q253 L259 E260	L252-K256 WeakPolarHBondContact O-CB 3.49Å; L252-K256 PolarHBondContact O-N 3.25Å; Q253-K256 PolarHBondContact O-N 3.42Å; K256-L259 PolarHBondContact O-N 3.26Å; K256-E260 WeakPolarHBondContact CE-OE1 3.47Å; K256-E260 IonicContact NZ-OE1 3.93Å; K256-E260 WeakPolarHBondContact O-CG 3.48Å; K256-E260 PolarHBondContact O-N 2.86Å
257	K	96.6	Very high	95.6	Very high	121 Å²	121	98.8 Å²	98.8	53%	0.526	49%	0.493	S	S	.	.	H	α-helix	trans	-61.2	-45.1	177.7	-174.2	-174.5	173.7	-168.2	0	111.8	Q253 D254 E255 L259 E260 E261	Q253-K257 PolarHBondContact O-N 2.87Å; D254-K257 PolarHBondContact O-N 3.28Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 3.01Å; K257-L259 PolarHBondContact O-N 3.4Å; K257-E260 PolarHBondContact O-N 2.99Å; K257-E261 VanDerWaalsContact CE-OE1 3.23Å; K257-E261 WeakPolarHBondContact CE-OE1 3.14Å; K257-E261 WeakPolarHBondContact O-CG 3.43Å; K257-E261 PolarHBondContact O-N 3.49Å
258	R	96.3	Very high	95.8	Very high	135 Å²	135	102.3 Å²	102.3	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-59.7	-44.7	175.7	-72.5	-170.8	-58.4	-95.5	1.6	112	D254 E255 E260 E261 D262	D254-R258 WeakPolarHBondContact O-CG 3.37Å; D254-R258 PolarHBondContact O-N 3.12Å; E255-R258 PolarHBondContact O-N 3.37Å; R258-E260 VanDerWaalsContact C-N 3.33Å; R258-E260 PolarHBondContact O-N 3.05Å; R258-E261 PolarHBondContact O-N 3.43Å; R258-D262 PolarHBondContact O-N 2.74Å
259	L	95.9	Very high	95.9	Very high	104 Å²	104	102.5 Å²	102.5	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-64.6	-35.2	177.5	-72.2	169.9	0	0	0	112.4	E255 K256 K257 N263	E255-L259 HydrophobicContact CG-CD1 4.13Å; E255-L259 WeakPolarHBondContact O-CG 3.31Å; E255-L259 PolarHBondContact O-N 3.47Å; K256-L259 PolarHBondContact O-N 3.26Å; K257-L259 PolarHBondContact O-N 3.4Å; L259-N263 VanDerWaalsContact O-CB 3.23Å; L259-N263 WeakPolarHBondContact O-CB 3.37Å; L259-N263 PolarHBondContact O-N 3.3Å
260	E	96.7	Very high	96	Very high	103 Å²	103	102.7 Å²	102.7	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-65.3	-44.9	173.5	-74.8	173.6	176.2	0	0	111.6	K256 K257 R258 N263 D264	K256-E260 WeakPolarHBondContact CE-OE1 3.47Å; K256-E260 IonicContact NZ-OE1 3.93Å; K256-E260 WeakPolarHBondContact O-CG 3.48Å; K256-E260 PolarHBondContact O-N 2.86Å; K257-E260 PolarHBondContact O-N 2.99Å; R258-E260 VanDerWaalsContact C-N 3.33Å; R258-E260 PolarHBondContact O-N 3.05Å; E260-N263 PolarHBondContact O-N 2.92Å; E260-D264 PolarHBondContact O-N 2.84Å
261	E	96.8	Very high	96.1	Very high	105 Å²	105	104.3 Å²	104.3	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-61.3	-46.1	175.3	-70.7	174	-174	0	0	112	K257 R258 N263 D264 V265	K257-E261 VanDerWaalsContact CE-OE1 3.23Å; K257-E261 WeakPolarHBondContact CE-OE1 3.14Å; K257-E261 WeakPolarHBondContact O-CG 3.43Å; K257-E261 PolarHBondContact O-N 3.49Å; R258-E261 PolarHBondContact O-N 3.43Å; E261-N263 VanDerWaalsContact C-N 3.34Å; E261-N263 PolarHBondContact O-N 3.04Å; E261-D264 PolarHBondContact O-N 2.88Å; E261-V265 WeakPolarHBondContact O-CG2 3.43Å; E261-V265 PolarHBondContact O-N 3.1Å
262	D	95.7	Very high	96.2	Very high	99 Å²	99	104.9 Å²	104.9	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-37.4	177	-77.5	-18.6	0	0	0	112.6	R258 V265 T266	R258-D262 PolarHBondContact O-N 2.74Å; D262-V265 PolarHBondContact O-N 2.9Å; D262-T266 WeakPolarHBondContact O-CB 3.37Å; D262-T266 PolarHBondContact O-N 3.21Å; D262-T266 PolarHBondContact O-OG1 2.82Å
263	N	94.9	Very high	96.2	Very high	86 Å²	86	103.4 Å²	103.4	46%	0.46	50%	0.503	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175.4	-167.6	-8.2	0	0	0	110.8	L259 E260 E261 T266 K267	L259-N263 VanDerWaalsContact O-CB 3.23Å; L259-N263 WeakPolarHBondContact O-CB 3.37Å; L259-N263 PolarHBondContact O-N 3.3Å; E260-N263 PolarHBondContact O-N 2.92Å; E261-N263 VanDerWaalsContact C-N 3.34Å; E261-N263 PolarHBondContact O-N 3.04Å; N263-T266 PolarHBondContact O-N 2.8Å; N263-K267 WeakPolarHBondContact O-CG 3.49Å; N263-K267 PolarHBondContact O-N 3.19Å; N263-K267 VanDerWaalsContact OD1-CE 3.28Å; N263-K267 WeakPolarHBondContact OD1-CE 3.34Å
264	D	96	Very high	96.2	Very high	82 Å²	82	104 Å²	104	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-68.3	-37.8	176.8	-79.1	-8	0	0	0	113	E260 E261 T266 K267 K268	E260-D264 PolarHBondContact O-N 2.84Å; E261-D264 PolarHBondContact O-N 2.88Å; D264-T266 VanDerWaalsContact C-N 3.33Å; D264-K267 PolarHBondContact O-N 2.87Å; D264-K267 IonicContact OD1-NZ 3.32Å; D264-K267 PolarHBondContact OD1-NZ 3.35Å; D264-K268 WeakPolarHBondContact O-CG 3.38Å; D264-K268 PolarHBondContact O-N 2.96Å
265	V	96.8	Very high	96.2	Very high	75 Å²	75	105.1 Å²	105.1	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-44.9	170.5	171.6	0	0	0	0	110.5	E261 D262 K268 N269	E261-V265 WeakPolarHBondContact O-CG2 3.43Å; E261-V265 PolarHBondContact O-N 3.1Å; D262-V265 PolarHBondContact O-N 2.9Å; V265-K268 PolarHBondContact O-N 3.43Å; V265-N269 PolarHBondContact O-N 2.73Å; V265-N269 PolarHBondContact O-ND2 2.95Å
266	T	94.7	Very high	96.3	Very high	89 Å²	89	109.3 Å²	109.3	55%	0.546	52%	0.521	S	S	.	.	H	α-helix	trans	-64	-42.3	178.9	-60.1	0	0	0	0	111.9	D262 N263 D264 N269 L270	D262-T266 WeakPolarHBondContact O-CB 3.37Å; D262-T266 PolarHBondContact O-N 3.21Å; D262-T266 PolarHBondContact O-OG1 2.82Å; N263-T266 PolarHBondContact O-N 2.8Å; D264-T266 VanDerWaalsContact C-N 3.33Å; T266-N269 PolarHBondContact O-N 3.35Å; T266-L270 WeakPolarHBondContact O-CB 3.39Å; T266-L270 PolarHBondContact O-N 3.21Å
267	K	97.3	Very high	96.3	Very high	112 Å²	112	107.8 Å²	107.8	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-43.6	173.9	-73.3	171.5	-169.3	158.1	0	112.1	N263 D264 N269 L270 Q271	N263-K267 WeakPolarHBondContact O-CG 3.49Å; N263-K267 PolarHBondContact O-N 3.19Å; N263-K267 VanDerWaalsContact OD1-CE 3.28Å; N263-K267 WeakPolarHBondContact OD1-CE 3.34Å; D264-K267 PolarHBondContact O-N 2.87Å; D264-K267 IonicContact OD1-NZ 3.32Å; D264-K267 PolarHBondContact OD1-NZ 3.35Å; K267-N269 PolarHBondContact O-N 3.5Å; K267-L270 WeakPolarHBondContact O-CB 3.09Å; K267-L270 PolarHBondContact O-N 3.46Å; K267-Q271 PolarHBondContact O-N 3.15Å
268	K	97.1	Very high	96.3	Very high	130 Å²	130	107 Å²	107	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-62.1	-42.3	175.5	-74.5	173	-177.8	171	0	111.4	D264 V265 Q271 K272	D264-K268 WeakPolarHBondContact O-CG 3.38Å; D264-K268 PolarHBondContact O-N 2.96Å; V265-K268 PolarHBondContact O-N 3.43Å; K268-Q271 PolarHBondContact O-N 3.4Å; K268-K272 WeakPolarHBondContact O-CG 3.3Å; K268-K272 PolarHBondContact O-N 2.91Å
269	N	96	Very high	96.3	Very high	76 Å²	76	104.8 Å²	104.8	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-65.9	-38.7	175.6	-71.1	-24.3	0	0	0	112.2	V265 T266 K267 Q271 K272 T273	V265-N269 PolarHBondContact O-N 2.73Å; V265-N269 PolarHBondContact O-ND2 2.95Å; T266-N269 PolarHBondContact O-N 3.35Å; K267-N269 PolarHBondContact O-N 3.5Å; N269-Q271 VanDerWaalsContact C-N 3.35Å; N269-K272 PolarHBondContact O-N 3Å; N269-T273 WeakPolarHBondContact O-CG2 3.38Å; N269-T273 PolarHBondContact O-N 3.4Å; N269-T273 PolarHBondContact O-OG1 3.39Å
270	L	96	Very high	96.3	Very high	91 Å²	91	103.8 Å²	103.8	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-62.6	-41	172.4	-178.9	63.5	0	0	0	111.5	T266 K267 T273 K274	T266-L270 WeakPolarHBondContact O-CB 3.39Å; T266-L270 PolarHBondContact O-N 3.21Å; K267-L270 WeakPolarHBondContact O-CB 3.09Å; K267-L270 PolarHBondContact O-N 3.46Å; L270-T273 WeakPolarHBondContact CA-OG1 3.43Å; L270-T273 PolarHBondContact O-OG1 2.9Å; L270-K274 HydrophobicContact CG-CD 4.31Å; L270-K274 WeakPolarHBondContact O-CB 3.45Å; L270-K274 VanDerWaalsContact O-CG 3.24Å; L270-K274 WeakPolarHBondContact O-CG 3.16Å; L270-K274 PolarHBondContact O-N 2.92Å
271	Q	97	Very high	96.3	Very high	125 Å²	125	102.8 Å²	102.8	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-65.6	-44.2	175.5	-171.4	179	-1.2	0	0	111.8	K267 K268 N269 T273 K274 L275	K267-Q271 PolarHBondContact O-N 3.15Å; K268-Q271 PolarHBondContact O-N 3.4Å; N269-Q271 VanDerWaalsContact C-N 3.35Å; Q271-T273 PolarHBondContact O-N 3.45Å; Q271-K274 PolarHBondContact O-N 3.37Å; Q271-L275 HydrophobicContact CG-CD1 4.5Å; Q271-L275 WeakPolarHBondContact O-CG 3.21Å; Q271-L275 PolarHBondContact O-N 3.44Å
272	K	97	Very high	96.3	Very high	139 Å²	139	101.7 Å²	101.7	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-58	-45.8	175.4	-73.4	173.9	-177.2	176.1	0	112	K268 N269 L275 R276	K268-K272 WeakPolarHBondContact O-CG 3.3Å; K268-K272 PolarHBondContact O-N 2.91Å; N269-K272 PolarHBondContact O-N 3Å; K272-L275 PolarHBondContact O-N 3.2Å; K272-R276 PolarHBondContact O-N 3.13Å
273	T	95	Very high	96.3	Very high	71 Å²	71	100.9 Å²	100.9	44%	0.436	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-38.9	178.6	52.2	0	0	0	0	112	N269 L270 Q271 R276 I277	N269-T273 WeakPolarHBondContact O-CG2 3.38Å; N269-T273 PolarHBondContact O-N 3.4Å; N269-T273 PolarHBondContact O-OG1 3.39Å; L270-T273 WeakPolarHBondContact CA-OG1 3.43Å; L270-T273 PolarHBondContact O-OG1 2.9Å; Q271-T273 PolarHBondContact O-N 3.45Å; T273-R276 PolarHBondContact O-N 3.11Å; T273-I277 VanDerWaalsContact O-CG1 3.27Å; T273-I277 WeakPolarHBondContact O-CG1 3.49Å; T273-I277 PolarHBondContact O-N 2.81Å
274	K	97.1	Very high	96.4	Very high	131 Å²	131	101.4 Å²	101.4	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-58.9	-45.2	171.8	-77.1	174.9	178	-178.2	0	112.3	L270 Q271 I277 N278	L270-K274 HydrophobicContact CG-CD 4.31Å; L270-K274 WeakPolarHBondContact O-CB 3.45Å; L270-K274 VanDerWaalsContact O-CG 3.24Å; L270-K274 WeakPolarHBondContact O-CG 3.16Å; L270-K274 PolarHBondContact O-N 2.92Å; Q271-K274 PolarHBondContact O-N 3.37Å; K274-I277 PolarHBondContact O-N 3.18Å; K274-N278 PolarHBondContact O-N 2.85Å
275	L	96.3	Very high	96.4	Very high	109 Å²	109	103.2 Å²	103.2	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-62.7	-43.3	175.9	-70.4	173.2	0	0	0	111.7	Q271 K272 I277 N278 N279	Q271-L275 HydrophobicContact CG-CD1 4.5Å; Q271-L275 WeakPolarHBondContact O-CG 3.21Å; Q271-L275 PolarHBondContact O-N 3.44Å; K272-L275 PolarHBondContact O-N 3.2Å; L275-I277 PolarHBondContact O-N 3.09Å; L275-N278 PolarHBondContact O-N 3.48Å; L275-N279 PolarHBondContact O-N 3.01Å
276	R	96.8	Very high	96.4	Very high	181 Å²	181	104.5 Å²	104.5	68%	0.683	50%	0.502	S	S	*	.	H	α-helix	trans	-60.2	-44.3	174.8	-179	177.3	178	163.2	0.6	112	K272 T273 N278 N279 L280	K272-R276 PolarHBondContact O-N 3.13Å; T273-R276 PolarHBondContact O-N 3.11Å; R276-N278 VanDerWaalsContact C-N 3.33Å; R276-N278 PolarHBondContact O-N 2.87Å; R276-N279 PolarHBondContact O-N 3.33Å; R276-L280 HydrophobicContact CG-CD1 4.06Å; R276-L280 HydrophobicContact CG-CG 4.47Å; R276-L280 WeakPolarHBondContact O-CB 3.44Å; R276-L280 VanDerWaalsContact O-CG 3.29Å; R276-L280 WeakPolarHBondContact O-CG 3.3Å; R276-L280 PolarHBondContact O-N 3.35Å
277	I	96	Very high	96.6	Very high	99 Å²	99	105 Å²	105	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-43.5	176.9	-70.4	164.8	0	0	0	110.4	T273 K274 L275 L280 L281	T273-I277 VanDerWaalsContact O-CG1 3.27Å; T273-I277 WeakPolarHBondContact O-CG1 3.49Å; T273-I277 PolarHBondContact O-N 2.81Å; K274-I277 PolarHBondContact O-N 3.18Å; L275-I277 PolarHBondContact O-N 3.09Å; I277-L280 PolarHBondContact O-N 2.88Å; I277-L281 HydrophobicContact CG2-CD1 3.96Å; I277-L281 HydrophobicContact CG2-CG 4.35Å; I277-L281 WeakPolarHBondContact O-CB 3.42Å; I277-L281 VanDerWaalsContact O-CG 3.28Å; I277-L281 WeakPolarHBondContact O-CG 3.22Å; I277-L281 PolarHBondContact O-N 3.08Å
278	N	96.6	Very high	96.6	Very high	105 Å²	105	105 Å²	105	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-62.9	-43.7	177.8	-167.5	16.7	0	0	0	112	K274 L275 R276 L280 L281 Q282	K274-N278 PolarHBondContact O-N 2.85Å; L275-N278 PolarHBondContact O-N 3.48Å; R276-N278 VanDerWaalsContact C-N 3.33Å; R276-N278 PolarHBondContact O-N 2.87Å; N278-L280 PolarHBondContact O-N 3.41Å; N278-L281 PolarHBondContact O-N 2.81Å; N278-Q282 PolarHBondContact O-N 3.41Å
279	N	96	Very high	96.5	Very high	89 Å²	89	105 Å²	105	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-46.3	175.4	-171	55.7	0	0	0	111.8	L275 R276 L281 Q282 E283	L275-N279 PolarHBondContact O-N 3.01Å; R276-N279 PolarHBondContact O-N 3.33Å; N279-L281 VanDerWaalsContact C-N 3.31Å; N279-L281 PolarHBondContact O-N 2.88Å; N279-Q282 WeakPolarHBondContact O-CB 3.12Å; N279-Q282 PolarHBondContact O-N 3.45Å; N279-Q282 VanDerWaalsContact O-N 3.13Å; N279-E283 PolarHBondContact ND2-OE1 3.25Å; N279-E283 WeakPolarHBondContact O-CG 3.48Å; N279-E283 PolarHBondContact O-N 3.34Å
280	L	97	Very high	96.6	Very high	83 Å²	83	107 Å²	107	44%	0.435	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-35.8	176.4	-70.1	172.1	0	0	0	112.6	R276 I277 N278 Q282 Q284	R276-L280 HydrophobicContact CG-CD1 4.06Å; R276-L280 HydrophobicContact CG-CG 4.47Å; R276-L280 WeakPolarHBondContact O-CB 3.44Å; R276-L280 VanDerWaalsContact O-CG 3.29Å; R276-L280 WeakPolarHBondContact O-CG 3.3Å; R276-L280 PolarHBondContact O-N 3.35Å; I277-L280 PolarHBondContact O-N 2.88Å; N278-L280 PolarHBondContact O-N 3.41Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; L280-Q284 WeakPolarHBondContact O-CB 3.33Å; L280-Q284 PolarHBondContact O-N 2.99Å
281	L	96.4	Very high	96.6	Very high	81 Å²	81	107.2 Å²	107.2	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-67.4	-35.4	174.7	-75.1	171.8	0	0	0	112	I277 N278 N279 K285	I277-L281 HydrophobicContact CG2-CD1 3.96Å; I277-L281 HydrophobicContact CG2-CG 4.35Å; I277-L281 WeakPolarHBondContact O-CB 3.42Å; I277-L281 VanDerWaalsContact O-CG 3.28Å; I277-L281 WeakPolarHBondContact O-CG 3.22Å; I277-L281 PolarHBondContact O-N 3.08Å; N278-L281 PolarHBondContact O-N 2.81Å; N279-L281 VanDerWaalsContact C-N 3.31Å; N279-L281 PolarHBondContact O-N 2.88Å; L281-K285 WeakPolarHBondContact O-CG 3.36Å; L281-K285 PolarHBondContact O-N 2.92Å; L281-K285 VanDerWaalsContact O-N 3.1Å
282	Q	96.4	Very high	96.5	Very high	82 Å²	82	106.3 Å²	106.3	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-47.6	175	-177.2	56.1	33	0	0	111.1	N278 N279 L280 Q284 K285 E286	N278-Q282 PolarHBondContact O-N 3.41Å; N279-Q282 WeakPolarHBondContact O-CB 3.12Å; N279-Q282 PolarHBondContact O-N 3.45Å; N279-Q282 VanDerWaalsContact O-N 3.13Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; Q282-Q284 VanDerWaalsContact C-N 3.28Å; Q282-Q284 PolarHBondContact O-N 2.82Å; Q282-K285 WeakPolarHBondContact O-CB 3.21Å; Q282-K285 PolarHBondContact O-N 2.79Å; Q282-E286 WeakPolarHBondContact CG-OE1 3.34Å; Q282-E286 PolarHBondContact NE2-OE1 3.38Å; Q282-E286 PolarHBondContact O-N 2.72Å
283	E	96.3	Very high	96.5	Very high	83 Å²	83	106.2 Å²	106.2	39%	0.388	51%	0.509	S	S	.	.	H	α-helix	trans	-56.8	-41.1	172.7	-70.7	171.6	-166.6	0	0	111.6	N279 K285 E286 L287	N279-E283 PolarHBondContact ND2-OE1 3.25Å; N279-E283 WeakPolarHBondContact O-CG 3.48Å; N279-E283 PolarHBondContact O-N 3.34Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 2.77Å; E283-E286 PolarHBondContact O-N 3.39Å; E283-L287 WeakPolarHBondContact O-CB 3.27Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.49Å
284	Q	96.1	Very high	96.5	Very high	96 Å²	96	107.8 Å²	107.8	45%	0.449	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-37.1	176.1	-167.7	-171.3	21.1	0	0	112.2	L280 Q282 K288	L280-Q284 WeakPolarHBondContact O-CB 3.33Å; L280-Q284 PolarHBondContact O-N 2.99Å; Q282-Q284 VanDerWaalsContact C-N 3.28Å; Q282-Q284 PolarHBondContact O-N 2.82Å; Q284-K288 HydrophobicContact CG-CD 4.44Å; Q284-K288 WeakPolarHBondContact O-CB 3.31Å; Q284-K288 WeakPolarHBondContact O-CG 3.44Å; Q284-K288 PolarHBondContact O-N 3.47Å
285	K	97.5	Very high	96.4	Very high	121 Å²	121	105.9 Å²	105.9	53%	0.526	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-43.5	175.8	-74.1	172.3	-177.4	176.7	0	111.2	L281 Q282 E283 K288 Q289	L281-K285 WeakPolarHBondContact O-CG 3.36Å; L281-K285 PolarHBondContact O-N 2.92Å; L281-K285 VanDerWaalsContact O-N 3.1Å; Q282-K285 WeakPolarHBondContact O-CB 3.21Å; Q282-K285 PolarHBondContact O-N 2.79Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 2.77Å; K285-K288 PolarHBondContact O-N 2.74Å; K285-Q289 WeakPolarHBondContact O-CG 3.43Å; K285-Q289 PolarHBondContact O-N 2.93Å
286	E	97	Very high	96.4	Very high	101 Å²	101	107.1 Å²	107.1	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-45.7	177.8	-71.2	169.3	-165.7	0	0	111.6	Q282 E283 K288 Q289 Q290	Q282-E286 WeakPolarHBondContact CG-OE1 3.34Å; Q282-E286 PolarHBondContact NE2-OE1 3.38Å; Q282-E286 PolarHBondContact O-N 2.72Å; E283-E286 PolarHBondContact O-N 3.39Å; E286-K288 VanDerWaalsContact C-N 3.34Å; E286-K288 PolarHBondContact O-N 3.05Å; E286-Q289 WeakPolarHBondContact O-CB 3.42Å; E286-Q289 PolarHBondContact O-N 2.74Å; E286-Q289 VanDerWaalsContact O-N 3.16Å; E286-Q290 PolarHBondContact O-N 3.42Å
287	L	97.4	Very high	96.3	Very high	99 Å²	99	103.8 Å²	103.8	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-41	174.4	-73.5	170.9	0	0	0	112	E283 Q289 Q290 I291	E283-L287 WeakPolarHBondContact O-CB 3.27Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.49Å; L287-Q289 VanDerWaalsContact C-N 3.34Å; L287-Q289 PolarHBondContact O-N 2.97Å; L287-Q290 PolarHBondContact O-N 3.43Å; L287-I291 VanDerWaalsContact O-CG1 3.28Å; L287-I291 WeakPolarHBondContact O-CG1 3.49Å; L287-I291 PolarHBondContact O-N 3.33Å
288	K	97.1	Very high	96.2	Very high	113 Å²	113	100.3 Å²	100.3	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-41.6	174	-78.5	172.9	179.2	177.6	0	111.9	Q284 K285 E286 I291 L292	Q284-K288 HydrophobicContact CG-CD 4.44Å; Q284-K288 WeakPolarHBondContact O-CB 3.31Å; Q284-K288 WeakPolarHBondContact O-CG 3.44Å; Q284-K288 PolarHBondContact O-N 3.47Å; K285-K288 PolarHBondContact O-N 2.74Å; E286-K288 VanDerWaalsContact C-N 3.34Å; E286-K288 PolarHBondContact O-N 3.05Å; K288-I291 PolarHBondContact O-N 2.89Å; K288-L292 WeakPolarHBondContact O-CG 3.37Å; K288-L292 PolarHBondContact O-N 3.2Å
289	Q	96.3	Very high	96.1	Very high	131 Å²	131	101.4 Å²	101.4	61%	0.612	49%	0.489	S	S	*	.	H	α-helix	trans	-64.1	-41.3	175	-72.3	174.3	0.1	0	0	111.6	K285 E286 L287 L292 F293	K285-Q289 WeakPolarHBondContact O-CG 3.43Å; K285-Q289 PolarHBondContact O-N 2.93Å; E286-Q289 WeakPolarHBondContact O-CB 3.42Å; E286-Q289 PolarHBondContact O-N 2.74Å; E286-Q289 VanDerWaalsContact O-N 3.16Å; L287-Q289 VanDerWaalsContact C-N 3.34Å; L287-Q289 PolarHBondContact O-N 2.97Å; Q289-L292 PolarHBondContact O-N 2.98Å; Q289-F293 PolarHBondContact O-N 3.28Å
290	Q	97.1	Very high	96.1	Very high	117 Å²	117	102.5 Å²	102.5	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-43.2	175.7	-171.8	178.2	44.6	0	0	111.9	E286 L287 F293 L294	E286-Q290 PolarHBondContact O-N 3.42Å; L287-Q290 PolarHBondContact O-N 3.43Å; Q290-F293 WeakPolarHBondContact O-CB 3.37Å; Q290-F293 PolarHBondContact O-N 2.87Å; Q290-L294 WeakPolarHBondContact O-CG 3.25Å; Q290-L294 PolarHBondContact O-N 3.19Å
291	I	96.8	Very high	95.9	Very high	96 Å²	96	102.2 Å²	102.2	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-45.1	174.8	-69.4	165.7	0	0	0	110.6	L287 K288 F293 L294 I295	L287-I291 VanDerWaalsContact O-CG1 3.28Å; L287-I291 WeakPolarHBondContact O-CG1 3.49Å; L287-I291 PolarHBondContact O-N 3.33Å; K288-I291 PolarHBondContact O-N 2.89Å; I291-F293 VanDerWaalsContact C-N 3.29Å; I291-F293 PolarHBondContact O-N 3.3Å; I291-L294 PolarHBondContact O-N 3.44Å; I291-I295 HydrophobicContact CG2-CD1 3.95Å; I291-I295 WeakPolarHBondContact O-CG1 3.37Å; I291-I295 PolarHBondContact O-N 3.01Å
292	L	95.6	Very high	95.8	Very high	105 Å²	105	103.7 Å²	103.7	55%	0.55	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-37.7	176.7	-73.2	172.2	0	0	0	112.3	K288 Q289 I295 K296	K288-L292 WeakPolarHBondContact O-CG 3.37Å; K288-L292 PolarHBondContact O-N 3.2Å; Q289-L292 PolarHBondContact O-N 2.98Å; L292-I295 PolarHBondContact O-N 3.34Å; L292-K296 WeakPolarHBondContact O-CG 3.48Å; L292-K296 PolarHBondContact O-N 3.35Å
293	F	95.1	Very high	95.8	Very high	138 Å²	138	104.9 Å²	104.9	61%	0.605	50%	0.504	S	S	*	.	H	α-helix	trans	-64.3	-44.4	174.3	178.9	-96.4	0	0	0	111.8	Q289 Q290 I291 I295 K296 K297	Q289-F293 PolarHBondContact O-N 3.28Å; Q290-F293 WeakPolarHBondContact O-CB 3.37Å; Q290-F293 PolarHBondContact O-N 2.87Å; I291-F293 VanDerWaalsContact C-N 3.29Å; I291-F293 PolarHBondContact O-N 3.3Å; F293-I295 VanDerWaalsContact C-N 3.33Å; F293-I295 PolarHBondContact O-N 2.82Å; F293-K296 PolarHBondContact O-N 3.45Å; F293-K297 PolarHBondContact O-N 2.75Å
294	L	96	Very high	95.8	Very high	104 Å²	104	105.7 Å²	105.7	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-37.7	176.5	-70.3	174.4	0	0	0	112.4	Q290 I291 K297 G298	Q290-L294 WeakPolarHBondContact O-CG 3.25Å; Q290-L294 PolarHBondContact O-N 3.19Å; I291-L294 PolarHBondContact O-N 3.44Å; L294-K297 PolarHBondContact O-N 2.85Å; L294-G298 PolarHBondContact O-N 3.38Å
295	I	95.2	Very high	95.7	Very high	90 Å²	90	105.2 Å²	105.2	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-43.2	174.5	-67.8	166.8	0	0	0	110.9	I291 L292 F293 K297 G298 K299	I291-I295 HydrophobicContact CG2-CD1 3.95Å; I291-I295 WeakPolarHBondContact O-CG1 3.37Å; I291-I295 PolarHBondContact O-N 3.01Å; L292-I295 PolarHBondContact O-N 3.34Å; F293-I295 VanDerWaalsContact C-N 3.33Å; F293-I295 PolarHBondContact O-N 2.82Å; I295-K297 VanDerWaalsContact C-N 3.34Å; I295-G298 PolarHBondContact O-N 3.46Å; I295-K299 WeakPolarHBondContact O-CG 3.26Å; I295-K299 PolarHBondContact O-N 2.99Å
296	K	95.3	Very high	95.6	Very high	136 Å²	136	106.3 Å²	106.3	59%	0.591	52%	0.521	S	S	*	.	H	α-helix	trans	-62.1	-43.2	175	-73.6	-179.2	179.4	-174.2	0	111.6	L292 F293 G298 K299 H300	L292-K296 WeakPolarHBondContact O-CG 3.48Å; L292-K296 PolarHBondContact O-N 3.35Å; F293-K296 PolarHBondContact O-N 3.45Å; K296-G298 VanDerWaalsContact C-N 3.34Å; K296-G298 PolarHBondContact O-N 2.81Å; K296-K299 WeakPolarHBondContact O-CB 3.43Å; K296-K299 PolarHBondContact O-N 3.16Å; K296-H300 PolarHBondContact O-CD2 2.76Å; K296-H300 PolarHBondContact O-N 3.39Å; K296-H300 VanDerWaalsContact O-N 3.12Å
297	K	95.5	Very high	95.6	Very high	110 Å²	110	105.3 Å²	105.3	48%	0.478	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-45.7	175	-170.6	-171.9	170.3	-169.9	0	111.2	F293 L294 I295 K299 H300 D301	F293-K297 PolarHBondContact O-N 2.75Å; L294-K297 PolarHBondContact O-N 2.85Å; I295-K297 VanDerWaalsContact C-N 3.34Å; K297-K299 VanDerWaalsContact C-N 3.29Å; K297-K299 PolarHBondContact O-N 3.1Å; K297-H300 PolarHBondContact O-N 3.47Å; K297-D301 PolarHBondContact O-N 2.89Å
298	G	93.7	Very high	95.5	Very high	27 Å²	27	105.1 Å²	105.1	28%	0.278	52%	0.524	S	S	.	.	H	α-helix	trans	-55.9	-41.5	175.3	0	0	0	0	0	112.8	L294 I295 K296 H300 D301 D302	L294-G298 PolarHBondContact O-N 3.38Å; I295-G298 PolarHBondContact O-N 3.46Å; K296-G298 VanDerWaalsContact C-N 3.34Å; K296-G298 PolarHBondContact O-N 2.81Å; G298-H300 PolarHBondContact O-N 2.84Å; G298-D301 PolarHBondContact O-N 3.5Å; G298-D302 VanDerWaalsContact O-CG 3.23Å; G298-D302 PolarHBondContact O-N 3.26Å
299	K	95.6	Very high	95.4	Very high	127 Å²	127	103.9 Å²	103.9	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-62.9	-40.2	174.4	-68.1	-178.6	178.4	-166.1	0	113.4	I295 K296 K297 D301 D302 E303	I295-K299 WeakPolarHBondContact O-CG 3.26Å; I295-K299 PolarHBondContact O-N 2.99Å; K296-K299 WeakPolarHBondContact O-CB 3.43Å; K296-K299 PolarHBondContact O-N 3.16Å; K297-K299 VanDerWaalsContact C-N 3.29Å; K297-K299 PolarHBondContact O-N 3.1Å; K299-D301 VanDerWaalsContact C-N 3.33Å; K299-D302 PolarHBondContact O-N 3.07Å; K299-E303 WeakPolarHBondContact O-CG 3.2Å; K299-E303 PolarHBondContact O-N 2.73Å
300	H	94	Very high	95.4	Very high	113 Å²	113	103.5 Å²	103.5	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-68.3	-34.7	175.1	-66.2	-49.1	0	0	0	112.4	K296 K297 G298 E303 L304	K296-H300 PolarHBondContact O-CD2 2.76Å; K296-H300 PolarHBondContact O-N 3.39Å; K296-H300 VanDerWaalsContact O-N 3.12Å; K297-H300 PolarHBondContact O-N 3.47Å; G298-H300 PolarHBondContact O-N 2.84Å; H300-E303 IonicContact ND1-OE2 2.99Å; H300-E303 PolarHBondContact ND1-OE2 2.89Å; H300-E303 VanDerWaalsContact ND1-OE2 3.13Å; H300-E303 PolarHBondContact O-N 2.77Å; H300-L304 WeakPolarHBondContact O-CB 3.38Å; H300-L304 PolarHBondContact O-N 3.43Å
301	D	94.3	Very high	95.3	Very high	76 Å²	76	102.8 Å²	102.8	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-39.2	173.2	-64.5	-30.7	0	0	0	110.2	K297 G298 K299 L304 V305	K297-D301 PolarHBondContact O-N 2.89Å; G298-D301 PolarHBondContact O-N 3.5Å; K299-D301 VanDerWaalsContact C-N 3.33Å; D301-L304 WeakPolarHBondContact O-CB 3.27Å; D301-L304 PolarHBondContact O-N 3.02Å; D301-V305 VanDerWaalsContact O-CG2 3.31Å; D301-V305 WeakPolarHBondContact O-CG2 3.15Å; D301-V305 PolarHBondContact O-N 2.91Å
302	D	94.3	Very high	95.1	Very high	112 Å²	112	103 Å²	103	60%	0.599	52%	0.522	S	S	*	.	H	α-helix	trans	-63.2	-44.6	173.7	-65.7	-29.6	0	0	0	111.9	G298 K299 L304 V305 E306	G298-D302 VanDerWaalsContact O-CG 3.23Å; G298-D302 PolarHBondContact O-N 3.26Å; K299-D302 PolarHBondContact O-N 3.07Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 3.13Å; D302-V305 PolarHBondContact O-N 2.95Å; D302-E306 PolarHBondContact O-N 3.31Å
303	E	95.9	Very high	95.1	Very high	108 Å²	108	103.3 Å²	103.3	51%	0.505	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-38.3	174.3	-73.3	165.8	-175.2	0	0	111.9	K299 H300 S307	K299-E303 WeakPolarHBondContact O-CG 3.2Å; K299-E303 PolarHBondContact O-N 2.73Å; H300-E303 IonicContact ND1-OE2 2.99Å; H300-E303 PolarHBondContact ND1-OE2 2.89Å; H300-E303 VanDerWaalsContact ND1-OE2 3.13Å; H300-E303 PolarHBondContact O-N 2.77Å; E303-S307 WeakPolarHBondContact O-CB 3.36Å; E303-S307 PolarHBondContact O-N 2.89Å; E303-S307 PolarHBondContact O-OG 3.17Å
304	L	95.8	Very high	95.1	Very high	100 Å²	100	100.6 Å²	100.6	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-67.9	-42.7	175.4	176.4	62	0	0	0	111.6	H300 D301 D302 S307 L308	H300-L304 WeakPolarHBondContact O-CB 3.38Å; H300-L304 PolarHBondContact O-N 3.43Å; D301-L304 WeakPolarHBondContact O-CB 3.27Å; D301-L304 PolarHBondContact O-N 3.02Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 3.13Å; L304-S307 PolarHBondContact O-N 3.28Å; L304-L308 HydrophobicContact CG-CD1 4.39Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 2.97Å
305	V	95.1	Very high	95.1	Very high	85 Å²	85	99.9 Å²	99.9	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-44.5	176.3	170.3	0	0	0	0	110.5	D301 D302 S307 L308 V309	D301-V305 VanDerWaalsContact O-CG2 3.31Å; D301-V305 WeakPolarHBondContact O-CG2 3.15Å; D301-V305 PolarHBondContact O-N 2.91Å; D302-V305 PolarHBondContact O-N 2.95Å; V305-S307 VanDerWaalsContact C-N 3.32Å; V305-S307 PolarHBondContact O-N 3.28Å; V305-L308 PolarHBondContact O-N 3.37Å; V305-V309 HydrophobicContact CG1-CG2 4.31Å; V305-V309 VanDerWaalsContact O-CG2 3.32Å; V305-V309 WeakPolarHBondContact O-CG2 3.27Å; V305-V309 PolarHBondContact O-N 2.89Å
306	E	95.7	Very high	95	Very high	145 Å²	145	100.2 Å²	100.2	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-59.3	-43.4	176	-173.9	172.5	-168.8	0	0	111.6	D302 L308 V309 H310	D302-E306 PolarHBondContact O-N 3.31Å; E306-L308 PolarHBondContact O-N 3.23Å; E306-V309 PolarHBondContact O-N 3.43Å; E306-H310 WeakPolarHBondContact O-CB 3.34Å; E306-H310 PolarHBondContact O-N 2.76Å
307	S	96.2	Very high	95.1	Very high	79 Å²	79	97.8 Å²	97.8	55%	0.552	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-40.5	176	-59.2	0	0	0	0	112.6	E303 L304 V305 H311	E303-S307 WeakPolarHBondContact O-CB 3.36Å; E303-S307 PolarHBondContact O-N 2.89Å; E303-S307 PolarHBondContact O-OG 3.17Å; L304-S307 PolarHBondContact O-N 3.28Å; V305-S307 VanDerWaalsContact C-N 3.32Å; V305-S307 PolarHBondContact O-N 3.28Å; S307-H311 PolarHBondContact O-N 3.31Å
308	L	95.2	Very high	95	Very high	95 Å²	95	97 Å²	97	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-39.1	176.3	-73.7	173	0	0	0	112.4	L304 V305 E306 H311 N312	L304-L308 HydrophobicContact CG-CD1 4.39Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 2.97Å; V305-L308 PolarHBondContact O-N 3.37Å; E306-L308 PolarHBondContact O-N 3.23Å; L308-H311 PolarHBondContact O-N 2.88Å; L308-N312 PolarHBondContact O-N 3.02Å; L308-N312 PolarHBondContact O-ND2 2.99Å
309	V	95.9	Very high	95.1	Very high	88 Å²	88	100 Å²	100	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-45.1	174.9	169.9	0	0	0	0	110.3	V305 E306 H311 N312 E313	V305-V309 HydrophobicContact CG1-CG2 4.31Å; V305-V309 VanDerWaalsContact O-CG2 3.32Å; V305-V309 WeakPolarHBondContact O-CG2 3.27Å; V305-V309 PolarHBondContact O-N 2.89Å; E306-V309 PolarHBondContact O-N 3.43Å; V309-H311 VanDerWaalsContact C-N 3.33Å; V309-H311 PolarHBondContact O-N 3.48Å; V309-N312 PolarHBondContact O-N 2.85Å; V309-E313 PolarHBondContact O-N 3.42Å
310	H	96.1	Very high	95	Very high	123 Å²	123	97.9 Å²	97.9	57%	0.569	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-40.7	176.4	-174.5	61.8	0	0	0	112.2	E306 E313 N314	E306-H310 WeakPolarHBondContact O-CB 3.34Å; E306-H310 PolarHBondContact O-N 2.76Å; H310-E313 PolarHBondContact O-N 2.85Å; H310-N314 PolarHBondContact O-N 3.41Å
311	H	94.8	Very high	95.1	Very high	101 Å²	101	100.1 Å²	100.1	47%	0.468	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-44.3	174.9	-176.2	66.7	0	0	0	112.2	S307 L308 V309 N314 L315	S307-H311 PolarHBondContact O-N 3.31Å; L308-H311 PolarHBondContact O-N 2.88Å; V309-H311 VanDerWaalsContact C-N 3.33Å; V309-H311 PolarHBondContact O-N 3.48Å; H311-N314 PolarHBondContact O-N 3.03Å; H311-L315 WeakPolarHBondContact NE2-CD1 3.4Å; H311-L315 WeakPolarHBondContact O-CG 3.39Å; H311-L315 PolarHBondContact O-N 3.39Å
312	N	91.5	Very high	95	Very high	101 Å²	101	101.1 Å²	101.1	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-38.9	176.9	-75.7	-22.7	0	0	0	112.3	L308 V309 L315 Q316	L308-N312 PolarHBondContact O-N 3.02Å; L308-N312 PolarHBondContact O-ND2 2.99Å; V309-N312 PolarHBondContact O-N 2.85Å; N312-L315 PolarHBondContact O-N 3.45Å; N312-Q316 WeakPolarHBondContact O-CB 2.98Å; N312-Q316 PolarHBondContact O-N 3.44Å
313	E	95.9	Very high	95	Very high	111 Å²	111	99.3 Å²	99.3	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.2	-174.6	-179.6	-170.1	0	0	111.2	V309 H310 L315 Q316 N317	V309-E313 PolarHBondContact O-N 3.42Å; H310-E313 PolarHBondContact O-N 2.85Å; E313-L315 PolarHBondContact O-N 3.21Å; E313-Q316 PolarHBondContact O-N 3.47Å; E313-N317 VanDerWaalsContact O-CG 3.24Å; E313-N317 PolarHBondContact O-N 3.38Å; E313-N317 PolarHBondContact O-ND2 3.41Å
314	N	95	Very high	95	Very high	81 Å²	81	98.8 Å²	98.8	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-43.7	176	-173.5	63	0	0	0	112.2	H310 H311 Q316 N317 E318	H310-N314 PolarHBondContact O-N 3.41Å; H311-N314 PolarHBondContact O-N 3.03Å; N314-Q316 VanDerWaalsContact C-N 3.34Å; N314-Q316 PolarHBondContact O-N 3.25Å; N314-N317 PolarHBondContact O-N 2.94Å; N314-E318 PolarHBondContact O-N 3.08Å
315	L	95.4	Very high	95	Very high	90 Å²	90	96.8 Å²	96.8	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-39.8	174.9	-72.4	177.5	0	0	0	112.3	H311 N312 E313 N317 E318 L319	H311-L315 WeakPolarHBondContact NE2-CD1 3.4Å; H311-L315 WeakPolarHBondContact O-CG 3.39Å; H311-L315 PolarHBondContact O-N 3.39Å; N312-L315 PolarHBondContact O-N 3.45Å; E313-L315 PolarHBondContact O-N 3.21Å; L315-N317 VanDerWaalsContact C-N 3.33Å; L315-E318 PolarHBondContact O-N 3.37Å; L315-L319 WeakPolarHBondContact O-CB 3.1Å; L315-L319 PolarHBondContact O-N 3.15Å
316	Q	94.9	Very high	94.9	Very high	97 Å²	97	96.5 Å²	96.5	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-38.5	176	-173.5	61.8	49.3	0	0	111.5	N312 E313 N314 L319 N320	N312-Q316 WeakPolarHBondContact O-CB 2.98Å; N312-Q316 PolarHBondContact O-N 3.44Å; E313-Q316 PolarHBondContact O-N 3.47Å; N314-Q316 VanDerWaalsContact C-N 3.34Å; N314-Q316 PolarHBondContact O-N 3.25Å; Q316-L319 PolarHBondContact O-N 3.49Å; Q316-N320 PolarHBondContact NE2-OD1 3.38Å; Q316-N320 WeakPolarHBondContact O-CB 3.37Å; Q316-N320 PolarHBondContact O-N 2.96Å; Q316-N320 PolarHBondContact O-ND2 3.47Å
317	N	95.5	Very high	94.9	Very high	84 Å²	84	95.5 Å²	95.5	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-43.2	175.7	-71.3	-26.1	0	0	0	111.8	E313 N314 L315 N320 R321	E313-N317 VanDerWaalsContact O-CG 3.24Å; E313-N317 PolarHBondContact O-N 3.38Å; E313-N317 PolarHBondContact O-ND2 3.41Å; N314-N317 PolarHBondContact O-N 2.94Å; L315-N317 VanDerWaalsContact C-N 3.33Å; N317-N320 PolarHBondContact O-N 3.46Å; N317-R321 WeakPolarHBondContact O-CB 3.32Å; N317-R321 PolarHBondContact O-N 3.02Å
318	E	95	Very high	94.8	Very high	93 Å²	93	96 Å²	96	44%	0.435	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-40.3	174	-73.4	-58.6	136.5	0	0	112	N314 L315 N320 R321 M322	N314-E318 PolarHBondContact O-N 3.08Å; L315-E318 PolarHBondContact O-N 3.37Å; E318-N320 PolarHBondContact O-N 3.32Å; E318-R321 WeakPolarHBondContact O-CB 3.43Å; E318-R321 PolarHBondContact O-N 2.82Å; E318-M322 WeakPolarHBondContact O-CB 3.46Å; E318-M322 WeakPolarHBondContact O-CG 3.23Å; E318-M322 PolarHBondContact O-N 3.12Å
319	L	94.3	Very high	94.8	Very high	92 Å²	92	96.1 Å²	96.1	48%	0.482	47%	0.467	S	S	.	.	H	α-helix	trans	-60.6	-44.8	173.5	-170.6	97.4	0	0	0	111.4	L315 Q316 R321 M322 N323	L315-L319 WeakPolarHBondContact O-CB 3.1Å; L315-L319 PolarHBondContact O-N 3.15Å; Q316-L319 PolarHBondContact O-N 3.49Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-M322 PolarHBondContact O-N 3.27Å; L319-N323 WeakPolarHBondContact O-CB 3.46Å; L319-N323 VanDerWaalsContact O-CG 3.3Å; L319-N323 PolarHBondContact O-N 3.49Å; L319-N323 PolarHBondContact O-ND2 3.26Å
320	N	95.2	Very high	94.7	Very high	81 Å²	81	96.7 Å²	96.7	43%	0.433	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-40.7	177.5	-69.5	-19.9	0	0	0	111.5	Q316 N317 E318 N323 Q324	Q316-N320 PolarHBondContact NE2-OD1 3.38Å; Q316-N320 WeakPolarHBondContact O-CB 3.37Å; Q316-N320 PolarHBondContact O-N 2.96Å; Q316-N320 PolarHBondContact O-ND2 3.47Å; N317-N320 PolarHBondContact O-N 3.46Å; E318-N320 PolarHBondContact O-N 3.32Å; N320-N323 PolarHBondContact O-N 3.15Å; N320-Q324 WeakPolarHBondContact O-CB 3.38Å; N320-Q324 PolarHBondContact O-N 3.36Å
321	R	96.4	Very high	94.7	Very high	161 Å²	161	94.9 Å²	94.9	61%	0.608	46%	0.462	S	S	*	.	H	α-helix	trans	-61.6	-46.7	174.4	-176.4	-174.2	176	106.4	7.4	111.4	N317 E318 L319 Q324 I325	N317-R321 WeakPolarHBondContact O-CB 3.32Å; N317-R321 PolarHBondContact O-N 3.02Å; E318-R321 WeakPolarHBondContact O-CB 3.43Å; E318-R321 PolarHBondContact O-N 2.82Å; L319-R321 VanDerWaalsContact C-N 3.34Å; R321-Q324 WeakPolarHBondContact O-CB 3.31Å; R321-Q324 PolarHBondContact O-N 2.91Å; R321-I325 HydrophobicContact CG-CD1 4.23Å; R321-I325 WeakPolarHBondContact O-CG1 3.33Å; R321-I325 PolarHBondContact O-N 2.96Å
322	M	92.1	Very high	94.7	Very high	97 Å²	97	94.9 Å²	94.9	48%	0.478	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.3	-72.8	-57.5	-59.3	0	0	112	E318 L319 Q324 I325 N326	E318-M322 WeakPolarHBondContact O-CB 3.46Å; E318-M322 WeakPolarHBondContact O-CG 3.23Å; E318-M322 PolarHBondContact O-N 3.12Å; L319-M322 PolarHBondContact O-N 3.27Å; M322-Q324 VanDerWaalsContact C-N 3.3Å; M322-Q324 PolarHBondContact O-N 3.37Å; M322-I325 PolarHBondContact O-N 2.7Å; M322-I325 HydrophobicContact SD-CD1 4.32Å; M322-N326 WeakPolarHBondContact O-CB 3.39Å; M322-N326 VanDerWaalsContact O-CG 3.28Å; M322-N326 PolarHBondContact O-N 2.95Å; M322-N326 PolarHBondContact O-ND2 2.92Å
323	N	94	Very high	94.8	Very high	74 Å²	74	95.3 Å²	95.3	40%	0.396	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-36.3	174.5	-77.5	-32.8	0	0	0	112.4	L319 N320 N326 K327	L319-N323 WeakPolarHBondContact O-CB 3.46Å; L319-N323 VanDerWaalsContact O-CG 3.3Å; L319-N323 PolarHBondContact O-N 3.49Å; L319-N323 PolarHBondContact O-ND2 3.26Å; N320-N323 PolarHBondContact O-N 3.15Å; N323-N326 PolarHBondContact O-N 3.3Å; N323-K327 WeakPolarHBondContact O-CG 3.48Å; N323-K327 PolarHBondContact O-N 3.47Å; N323-K327 VanDerWaalsContact O-N 3.1Å
324	Q	96.1	Very high	94.7	Very high	96 Å²	96	96.4 Å²	96.4	45%	0.449	47%	0.469	S	S	.	.	H	α-helix	trans	-66.4	-45.3	174.8	-177.9	57.1	33.5	0	0	111.4	N320 R321 M322 N326 K327 E328	N320-Q324 WeakPolarHBondContact O-CB 3.38Å; N320-Q324 PolarHBondContact O-N 3.36Å; R321-Q324 WeakPolarHBondContact O-CB 3.31Å; R321-Q324 PolarHBondContact O-N 2.91Å; M322-Q324 VanDerWaalsContact C-N 3.3Å; M322-Q324 PolarHBondContact O-N 3.37Å; Q324-N326 VanDerWaalsContact C-N 3.31Å; Q324-N326 PolarHBondContact O-N 2.97Å; Q324-K327 PolarHBondContact O-N 3.27Å; Q324-E328 PolarHBondContact NE2-OE1 3.34Å; Q324-E328 WeakPolarHBondContact O-CG 3.49Å; Q324-E328 PolarHBondContact O-N 2.82Å
325	I	95.7	Very high	94.8	Very high	59 Å²	59	98.9 Å²	98.9	30%	0.303	48%	0.475	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175.6	-66.9	165.7	0	0	0	111	R321 M322 E328 K329	R321-I325 HydrophobicContact CG-CD1 4.23Å; R321-I325 WeakPolarHBondContact O-CG1 3.33Å; R321-I325 PolarHBondContact O-N 2.96Å; M322-I325 PolarHBondContact O-N 2.7Å; M322-I325 HydrophobicContact SD-CD1 4.32Å; I325-E328 PolarHBondContact O-N 2.88Å; I325-K329 HydrophobicContact CG2-CG 4.46Å; I325-K329 WeakPolarHBondContact O-CG 3.41Å; I325-K329 PolarHBondContact O-N 2.97Å
326	N	92.3	Very high	94.7	Very high	78 Å²	78	100.3 Å²	100.3	42%	0.417	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-43	177.5	-74.1	-17.6	0	0	0	111.8	M322 N323 Q324 E328 K329 D330	M322-N326 WeakPolarHBondContact O-CB 3.39Å; M322-N326 VanDerWaalsContact O-CG 3.28Å; M322-N326 PolarHBondContact O-N 2.95Å; M322-N326 PolarHBondContact O-ND2 2.92Å; N323-N326 PolarHBondContact O-N 3.3Å; Q324-N326 VanDerWaalsContact C-N 3.31Å; Q324-N326 PolarHBondContact O-N 2.97Å; N326-E328 VanDerWaalsContact C-N 3.33Å; N326-E328 PolarHBondContact O-N 3.21Å; N326-K329 PolarHBondContact O-N 3.42Å; N326-K329 VanDerWaalsContact O-N 3.15Å; N326-D330 VanDerWaalsContact O-CG 3.26Å; N326-D330 PolarHBondContact O-N 3.33Å
327	K	95.4	Very high	94.7	Very high	124 Å²	124	100.7 Å²	100.7	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-59.8	-43.9	174.6	-71.9	173.6	-177.3	179.8	0	112	N323 Q324 K329 D330 D331	N323-K327 WeakPolarHBondContact O-CG 3.48Å; N323-K327 PolarHBondContact O-N 3.47Å; N323-K327 VanDerWaalsContact O-N 3.1Å; Q324-K327 PolarHBondContact O-N 3.27Å; K327-K329 VanDerWaalsContact C-N 3.27Å; K327-K329 PolarHBondContact O-N 3.5Å; K327-D330 PolarHBondContact O-N 3.43Å; K327-D331 VanDerWaalsContact O-CG 3.3Å; K327-D331 PolarHBondContact O-N 2.86Å
328	E	94.5	Very high	94.7	Very high	91 Å²	91	102.5 Å²	102.5	43%	0.425	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-38.6	176.5	-71	165.9	-164.9	0	0	111.6	Q324 I325 N326 E332	Q324-E328 PolarHBondContact NE2-OE1 3.34Å; Q324-E328 WeakPolarHBondContact O-CG 3.49Å; Q324-E328 PolarHBondContact O-N 2.82Å; I325-E328 PolarHBondContact O-N 2.88Å; N326-E328 VanDerWaalsContact C-N 3.33Å; N326-E328 PolarHBondContact O-N 3.21Å; E328-E332 WeakPolarHBondContact O-CG 3.46Å; E328-E332 PolarHBondContact O-N 3.22Å
329	K	94.2	Very high	94.7	Very high	96 Å²	96	104.1 Å²	104.1	42%	0.417	50%	0.497	S	S	.	.	H	α-helix	trans	-69.6	-38	175.5	-68.8	-71.6	161.2	-139.9	0	112.7	I325 N326 K327 E332 I333	I325-K329 HydrophobicContact CG2-CG 4.46Å; I325-K329 WeakPolarHBondContact O-CG 3.41Å; I325-K329 PolarHBondContact O-N 2.97Å; N326-K329 PolarHBondContact O-N 3.42Å; N326-K329 VanDerWaalsContact O-N 3.15Å; K327-K329 VanDerWaalsContact C-N 3.27Å; K327-K329 PolarHBondContact O-N 3.5Å; K329-E332 IonicContact NZ-OE1 2.76Å; K329-E332 PolarHBondContact NZ-OE1 3.35Å; K329-E332 IonicContact NZ-OE2 3.77Å; K329-E332 PolarHBondContact NZ-OE2 3.29Å; K329-E332 WeakPolarHBondContact O-CB 3.42Å; K329-E332 PolarHBondContact O-N 2.89Å; K329-I333 WeakPolarHBondContact O-CB 3.39Å; K329-I333 VanDerWaalsContact O-CG1 3.22Å; K329-I333 WeakPolarHBondContact O-CG1 3.35Å; K329-I333 PolarHBondContact O-N 2.91Å
330	D	95	Very high	94.7	Very high	101 Å²	101	104.8 Å²	104.8	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-42.4	175.1	-67.8	-25.3	0	0	0	110.7	N326 K327 E332 I333 E334	N326-D330 VanDerWaalsContact O-CG 3.26Å; N326-D330 PolarHBondContact O-N 3.33Å; K327-D330 PolarHBondContact O-N 3.43Å; D330-E332 PolarHBondContact O-N 3.21Å; D330-I333 PolarHBondContact O-N 3.37Å; D330-E334 PolarHBondContact O-N 3.21Å
331	D	94.7	Very high	94.6	Very high	85 Å²	85	103.5 Å²	103.5	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-38.9	174.2	-68	-14	0	0	0	112	K327 K335	K327-D331 VanDerWaalsContact O-CG 3.3Å; K327-D331 PolarHBondContact O-N 2.86Å; D331-K335 VanDerWaalsContact O-CG 3.3Å; D331-K335 WeakPolarHBondContact O-CG 3.41Å; D331-K335 PolarHBondContact O-N 3.34Å; D331-K335 VanDerWaalsContact O-N 3.13Å
332	E	95.4	Very high	94.6	Very high	101 Å²	101	99.2 Å²	99.2	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-43.5	173.4	-77.7	174.7	-151	0	0	111.6	E328 K329 D330 K335 F336	E328-E332 WeakPolarHBondContact O-CG 3.46Å; E328-E332 PolarHBondContact O-N 3.22Å; K329-E332 IonicContact NZ-OE1 2.76Å; K329-E332 PolarHBondContact NZ-OE1 3.35Å; K329-E332 IonicContact NZ-OE2 3.77Å; K329-E332 PolarHBondContact NZ-OE2 3.29Å; K329-E332 WeakPolarHBondContact O-CB 3.42Å; K329-E332 PolarHBondContact O-N 2.89Å; D330-E332 PolarHBondContact O-N 3.21Å; E332-K335 PolarHBondContact O-N 3.21Å; E332-F336 WeakPolarHBondContact O-CB 3.46Å; E332-F336 PolarHBondContact O-N 3.39Å
333	I	93	Very high	94.7	Very high	109 Å²	109	99.1 Å²	99.1	56%	0.559	49%	0.485	S	S	*	.	H	α-helix	trans	-65	-42.9	178.3	-71.5	165	0	0	0	110.5	K329 D330 F336 N337	K329-I333 WeakPolarHBondContact O-CB 3.39Å; K329-I333 VanDerWaalsContact O-CG1 3.22Å; K329-I333 WeakPolarHBondContact O-CG1 3.35Å; K329-I333 PolarHBondContact O-N 2.91Å; D330-I333 PolarHBondContact O-N 3.37Å; I333-F336 PolarHBondContact O-N 3.27Å; I333-N337 WeakPolarHBondContact O-CB 3.33Å; I333-N337 PolarHBondContact O-N 3.47Å
334	E	95.3	Very high	94.9	Very high	135 Å²	135	102.1 Å²	102.1	63%	0.631	49%	0.494	S	S	*	.	H	α-helix	trans	-59.9	-48.5	177.7	-173.9	174.4	-167.3	0	0	111	D330 F336 N337 E338	D330-E334 PolarHBondContact O-N 3.21Å; E334-F336 VanDerWaalsContact C-N 3.32Å; E334-F336 PolarHBondContact O-N 2.96Å; E334-N337 PolarHBondContact O-N 3.33Å; E334-E338 PolarHBondContact O-N 3.37Å
335	K	95.6	Very high	94.8	Very high	132 Å²	132	102.7 Å²	102.7	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-59.2	-42.3	175.5	-72.6	170.3	-175.4	169.5	0	112.3	D331 E332 E338 Q339	D331-K335 VanDerWaalsContact O-CG 3.3Å; D331-K335 WeakPolarHBondContact O-CG 3.41Å; D331-K335 PolarHBondContact O-N 3.34Å; D331-K335 VanDerWaalsContact O-N 3.13Å; E332-K335 PolarHBondContact O-N 3.21Å; K335-E338 PolarHBondContact O-N 2.83Å; K335-Q339 VanDerWaalsContact O-CG 3.32Å; K335-Q339 WeakPolarHBondContact O-CG 3.34Å; K335-Q339 PolarHBondContact O-N 3.27Å
336	F	94.6	Very high	94.9	Very high	120 Å²	120	108.8 Å²	108.8	53%	0.526	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-39	178.3	-176.1	-111.9	0	0	0	112.1	E332 I333 E334 Q339 Q340	E332-F336 WeakPolarHBondContact O-CB 3.46Å; E332-F336 PolarHBondContact O-N 3.39Å; I333-F336 PolarHBondContact O-N 3.27Å; E334-F336 VanDerWaalsContact C-N 3.32Å; E334-F336 PolarHBondContact O-N 2.96Å; F336-Q339 PolarHBondContact O-N 2.65Å; F336-Q340 HydrophobicContact CE1-CG 4.3Å; F336-Q340 HydrophobicContact CZ-CG 4.32Å; F336-Q340 PolarHBondContact O-N 2.94Å
337	N	94.3	Very high	95	Very high	106 Å²	106	111 Å²	111	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-67	-40.4	176.9	-168.7	36.5	0	0	0	111.7	I333 E334 Q340 S341	I333-N337 WeakPolarHBondContact O-CB 3.33Å; I333-N337 PolarHBondContact O-N 3.47Å; E334-N337 PolarHBondContact O-N 3.33Å; N337-Q340 PolarHBondContact O-N 3.44Å; N337-S341 WeakPolarHBondContact O-CB 3.49Å; N337-S341 PolarHBondContact O-N 2.88Å
338	E	95.9	Very high	95	Very high	121 Å²	121	108.3 Å²	108.3	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-60.6	-45	173.3	-169.4	-174.3	177.2	0	0	111.3	E334 K335 Q340 S341 N342	E334-E338 PolarHBondContact O-N 3.37Å; K335-E338 PolarHBondContact O-N 2.83Å; E338-Q340 PolarHBondContact O-N 2.95Å; E338-S341 PolarHBondContact O-N 3.2Å; E338-N342 WeakPolarHBondContact O-CB 3.36Å; E338-N342 VanDerWaalsContact O-CG 3.28Å; E338-N342 PolarHBondContact O-N 2.93Å; E338-N342 PolarHBondContact O-ND2 3.25Å
339	Q	95.3	Very high	95.1	Very high	128 Å²	128	109.6 Å²	109.6	60%	0.598	52%	0.522	S	S	*	.	H	α-helix	trans	-61.2	-42.9	175.2	-73.8	177.8	-5.5	0	0	112.5	K335 F336 N342 L343	K335-Q339 VanDerWaalsContact O-CG 3.32Å; K335-Q339 WeakPolarHBondContact O-CG 3.34Å; K335-Q339 PolarHBondContact O-N 3.27Å; F336-Q339 PolarHBondContact O-N 2.65Å; Q339-N342 PolarHBondContact O-N 3.47Å; Q339-L343 WeakPolarHBondContact O-CB 3.33Å; Q339-L343 PolarHBondContact O-N 3.41Å
340	Q	93.7	Very high	95.2	Very high	106 Å²	106	109.1 Å²	109.1	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.6	-83.9	-163.4	62.7	0	0	112.1	F336 N337 E338 L343 K344	F336-Q340 HydrophobicContact CE1-CG 4.3Å; F336-Q340 HydrophobicContact CZ-CG 4.32Å; F336-Q340 PolarHBondContact O-N 2.94Å; N337-Q340 PolarHBondContact O-N 3.44Å; E338-Q340 PolarHBondContact O-N 2.95Å; Q340-L343 PolarHBondContact O-N 3.47Å; Q340-K344 VanDerWaalsContact O-CB 3.28Å; Q340-K344 WeakPolarHBondContact O-CB 3.5Å; Q340-K344 PolarHBondContact O-N 3.33Å
341	S	94.3	Very high	95.1	Very high	54 Å²	54	108.2 Å²	108.2	38%	0.378	52%	0.516	S	S	.	.	H	α-helix	trans	-61.1	-46.3	175.9	-173.8	0	0	0	0	111.1	N337 E338 L343 K344 Q345	N337-S341 WeakPolarHBondContact O-CB 3.49Å; N337-S341 PolarHBondContact O-N 2.88Å; E338-S341 PolarHBondContact O-N 3.2Å; S341-L343 PolarHBondContact O-N 2.9Å; S341-K344 PolarHBondContact O-N 3.3Å; S341-Q345 VanDerWaalsContact O-CG 3.32Å; S341-Q345 WeakPolarHBondContact O-CG 3.41Å; S341-Q345 PolarHBondContact O-N 2.96Å
342	N	95.4	Very high	95.2	Very high	71 Å²	71	110.9 Å²	110.9	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-62	-42.4	176.4	-73.4	-27.9	0	0	0	112.3	E338 Q339 R346	E338-N342 WeakPolarHBondContact O-CB 3.36Å; E338-N342 VanDerWaalsContact O-CG 3.28Å; E338-N342 PolarHBondContact O-N 2.93Å; E338-N342 PolarHBondContact O-ND2 3.25Å; Q339-N342 PolarHBondContact O-N 3.47Å; N342-R346 WeakPolarHBondContact O-CG 3.43Å; N342-R346 PolarHBondContact O-N 2.93Å
343	L	95	Very high	95.2	Very high	95 Å²	95	113 Å²	113	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-42.3	176.5	-172.7	74.8	0	0	0	111.4	Q339 Q340 S341 R346 K347	Q339-L343 WeakPolarHBondContact O-CB 3.33Å; Q339-L343 PolarHBondContact O-N 3.41Å; Q340-L343 PolarHBondContact O-N 3.47Å; S341-L343 PolarHBondContact O-N 2.9Å; L343-R346 PolarHBondContact O-N 3.37Å; L343-K347 WeakPolarHBondContact O-CG 3.29Å; L343-K347 PolarHBondContact O-N 3.4Å
344	K	96.6	Very high	95.4	Very high	137 Å²	137	112 Å²	112	60%	0.596	52%	0.522	S	S	*	.	H	α-helix	trans	-60.5	-48.5	176.3	-175.5	178.3	178.1	-177.1	0	110.7	Q340 S341 R346 K347 D348	Q340-K344 VanDerWaalsContact O-CB 3.28Å; Q340-K344 WeakPolarHBondContact O-CB 3.5Å; Q340-K344 PolarHBondContact O-N 3.33Å; S341-K344 PolarHBondContact O-N 3.3Å; K344-R346 VanDerWaalsContact C-N 3.32Å; K344-R346 PolarHBondContact O-N 3.46Å; K344-K347 PolarHBondContact O-N 3.17Å; K344-K347 VanDerWaalsContact O-N 3.14Å; K344-D348 PolarHBondContact O-N 3.43Å
345	Q	95.5	Very high	95.4	Very high	107 Å²	107	110.5 Å²	110.5	50%	0.5	52%	0.515	S	S	.	.	H	α-helix	trans	-58.2	-42.2	175.5	-71.3	175.5	15.4	0	0	112.4	S341 D348 I349	S341-Q345 VanDerWaalsContact O-CG 3.32Å; S341-Q345 WeakPolarHBondContact O-CG 3.41Å; S341-Q345 PolarHBondContact O-N 2.96Å; Q345-D348 PolarHBondContact O-N 2.9Å; Q345-I349 VanDerWaalsContact O-CG1 3.27Å; Q345-I349 WeakPolarHBondContact O-CG1 3.35Å; Q345-I349 PolarHBondContact O-N 3.37Å
346	R	96.8	Very high	95.4	Very high	187 Å²	187	110 Å²	110	71%	0.706	52%	0.515	S	S	*	.	H	α-helix	trans	-61.7	-43.2	175.4	-74.1	176	-173.7	-127.5	2.8	112.3	N342 L343 K344 I349 E350	N342-R346 WeakPolarHBondContact O-CG 3.43Å; N342-R346 PolarHBondContact O-N 2.93Å; L343-R346 PolarHBondContact O-N 3.37Å; K344-R346 VanDerWaalsContact C-N 3.32Å; K344-R346 PolarHBondContact O-N 3.46Å; R346-I349 PolarHBondContact O-N 2.97Å; R346-E350 PolarHBondContact O-N 3.1Å
347	K	94.6	Very high	95.4	Very high	124 Å²	124	107.4 Å²	107.4	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-43	175.9	-72.2	-179.2	178	-175.1	0	111.4	L343 K344 I349 E350 I351	L343-K347 WeakPolarHBondContact O-CG 3.29Å; L343-K347 PolarHBondContact O-N 3.4Å; K344-K347 PolarHBondContact O-N 3.17Å; K344-K347 VanDerWaalsContact O-N 3.14Å; K347-I349 VanDerWaalsContact C-N 3.3Å; K347-I349 PolarHBondContact O-N 2.89Å; K347-E350 PolarHBondContact O-N 3.22Å; K347-I351 WeakPolarHBondContact O-CB 3.4Å; K347-I351 VanDerWaalsContact O-CG1 3.23Å; K347-I351 WeakPolarHBondContact O-CG1 3.47Å; K347-I351 PolarHBondContact O-N 3.48Å
348	D	96.2	Very high	95.5	Very high	69 Å²	69	107 Å²	107	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-36.6	178.4	-66.8	-16.6	0	0	0	111.6	K344 Q345 K352	K344-D348 PolarHBondContact O-N 3.43Å; Q345-D348 PolarHBondContact O-N 2.9Å; D348-K352 VanDerWaalsContact O-CG 3.31Å; D348-K352 WeakPolarHBondContact O-CG 3.44Å; D348-K352 PolarHBondContact O-N 2.86Å
349	I	96.1	Very high	95.4	Very high	117 Å²	117	105.8 Å²	105.8	60%	0.6	50%	0.499	S	S	*	.	H	α-helix	trans	-67	-44.8	173.4	-68	164.1	0	0	0	111.1	Q345 R346 K347 K352 R353	Q345-I349 VanDerWaalsContact O-CG1 3.27Å; Q345-I349 WeakPolarHBondContact O-CG1 3.35Å; Q345-I349 PolarHBondContact O-N 3.37Å; R346-I349 PolarHBondContact O-N 2.97Å; K347-I349 VanDerWaalsContact C-N 3.3Å; K347-I349 PolarHBondContact O-N 2.89Å; I349-K352 PolarHBondContact O-N 2.9Å; I349-R353 PolarHBondContact O-N 3.41Å; I349-R353 VanDerWaalsContact O-N 3.09Å
350	E	95.2	Very high	95.4	Very high	87 Å²	87	104.7 Å²	104.7	41%	0.407	49%	0.494	S	S	.	.	H	α-helix	trans	-68.2	-38.5	-179.8	-172.1	61.9	-161.2	0	0	112.1	R346 K347 K352 R353 L354	R346-E350 PolarHBondContact O-N 3.1Å; K347-E350 PolarHBondContact O-N 3.22Å; E350-K352 VanDerWaalsContact C-N 3.34Å; E350-K352 PolarHBondContact O-N 3.47Å; E350-R353 WeakPolarHBondContact O-CB 3.43Å; E350-R353 PolarHBondContact O-N 3.36Å; E350-L354 WeakPolarHBondContact O-CG 3.49Å; E350-L354 PolarHBondContact O-N 3.32Å
351	I	94.7	Very high	95.4	Very high	82 Å²	82	105.2 Å²	105.2	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-58.2	-48.1	173.7	-72.3	166	0	0	0	109.8	K347 R353 L354 E355	K347-I351 WeakPolarHBondContact O-CB 3.4Å; K347-I351 VanDerWaalsContact O-CG1 3.23Å; K347-I351 WeakPolarHBondContact O-CG1 3.47Å; K347-I351 PolarHBondContact O-N 3.48Å; I351-R353 VanDerWaalsContact C-N 3.29Å; I351-R353 PolarHBondContact O-N 2.88Å; I351-L354 PolarHBondContact O-N 2.83Å; I351-L354 VanDerWaalsContact O-N 3.13Å; I351-E355 HydrophobicContact CG2-CG 4.28Å; I351-E355 VanDerWaalsContact O-CG 3.32Å; I351-E355 WeakPolarHBondContact O-CG 3.41Å; I351-E355 PolarHBondContact O-N 3.25Å
352	K	96.1	Very high	95.4	Very high	140 Å²	140	106.5 Å²	106.5	61%	0.609	50%	0.497	S	S	*	.	H	α-helix	trans	-58.9	-39.2	176.5	-73.9	174.4	-178	-177.9	0	112.8	D348 I349 E350 E355 E356	D348-K352 VanDerWaalsContact O-CG 3.31Å; D348-K352 WeakPolarHBondContact O-CG 3.44Å; D348-K352 PolarHBondContact O-N 2.86Å; I349-K352 PolarHBondContact O-N 2.9Å; E350-K352 VanDerWaalsContact C-N 3.34Å; E350-K352 PolarHBondContact O-N 3.47Å; K352-E355 PolarHBondContact O-N 2.86Å; K352-E356 PolarHBondContact O-N 2.97Å
353	R	96	Very high	95.3	Very high	147 Å²	147	109 Å²	109	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-64.8	-42	176.1	-172.9	-174.5	-177.3	-173.6	1.3	111.8	I349 E350 I351 E356 I357	I349-R353 PolarHBondContact O-N 3.41Å; I349-R353 VanDerWaalsContact O-N 3.09Å; E350-R353 WeakPolarHBondContact O-CB 3.43Å; E350-R353 PolarHBondContact O-N 3.36Å; I351-R353 VanDerWaalsContact C-N 3.29Å; I351-R353 PolarHBondContact O-N 2.88Å; R353-E356 PolarHBondContact O-N 3.44Å; R353-I357 HydrophobicContact CG-CD1 4.36Å; R353-I357 WeakPolarHBondContact O-CG1 3.32Å; R353-I357 PolarHBondContact O-N 3.36Å; R353-I357 VanDerWaalsContact O-N 3.07Å
354	L	96.1	Very high	95.3	Very high	86 Å²	86	108.7 Å²	108.7	45%	0.45	51%	0.505	S	S	.	.	H	α-helix	trans	-68	-38.5	176	-69.1	173.9	0	0	0	111.7	E350 I351 I357 I358	E350-L354 WeakPolarHBondContact O-CG 3.49Å; E350-L354 PolarHBondContact O-N 3.32Å; I351-L354 PolarHBondContact O-N 2.83Å; I351-L354 VanDerWaalsContact O-N 3.13Å; L354-I357 PolarHBondContact O-N 2.62Å; L354-I358 WeakPolarHBondContact O-CB 3.49Å; L354-I358 VanDerWaalsContact O-CG1 3.24Å; L354-I358 WeakPolarHBondContact O-CG1 3.02Å; L354-I358 PolarHBondContact O-N 3.49Å
355	E	95.9	Very high	95.2	Very high	104 Å²	104	106.3 Å²	106.3	49%	0.486	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-43.7	173.3	-72.8	171.4	167	0	0	111.5	I351 K352 I358 I359	I351-E355 HydrophobicContact CG2-CG 4.28Å; I351-E355 VanDerWaalsContact O-CG 3.32Å; I351-E355 WeakPolarHBondContact O-CG 3.41Å; I351-E355 PolarHBondContact O-N 3.25Å; K352-E355 PolarHBondContact O-N 2.86Å; E355-I358 PolarHBondContact O-N 2.95Å; E355-I359 VanDerWaalsContact O-CG1 3.31Å; E355-I359 WeakPolarHBondContact O-CG1 3.41Å; E355-I359 PolarHBondContact O-N 2.97Å
356	E	95.6	Very high	95.1	Very high	121 Å²	121	106 Å²	106	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-59.7	-47.7	174.3	-175.8	173.3	-147.1	0	0	111.5	K352 R353 I358 I359 E360	K352-E356 PolarHBondContact O-N 2.97Å; R353-E356 PolarHBondContact O-N 3.44Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 3.43Å; E356-I359 PolarHBondContact O-N 3.42Å; E356-E360 WeakPolarHBondContact O-CG 3.46Å; E356-E360 PolarHBondContact O-N 2.92Å
357	I	94.9	Very high	94.9	Very high	66 Å²	66	101.2 Å²	101.2	34%	0.338	49%	0.488	S	S	.	.	H	α-helix	trans	-61.2	-41.1	176.2	-66.7	165.6	0	0	0	111	R353 L354 I359 E360 K361	R353-I357 HydrophobicContact CG-CD1 4.36Å; R353-I357 WeakPolarHBondContact O-CG1 3.32Å; R353-I357 PolarHBondContact O-N 3.36Å; R353-I357 VanDerWaalsContact O-N 3.07Å; L354-I357 PolarHBondContact O-N 2.62Å; I357-I359 VanDerWaalsContact C-N 3.34Å; I357-I359 PolarHBondContact O-N 2.92Å; I357-E360 PolarHBondContact O-N 3.44Å; I357-K361 HydrophobicContact CG2-CG 4.26Å; I357-K361 WeakPolarHBondContact O-CB 3.42Å; I357-K361 VanDerWaalsContact O-CG 3.24Å; I357-K361 WeakPolarHBondContact O-CG 3.29Å; I357-K361 PolarHBondContact O-N 3.41Å
358	I	94.8	Very high	94.7	Very high	97 Å²	97	98.5 Å²	98.5	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-43.3	177.3	-72.3	164.9	0	0	0	110.5	L354 E355 E356 K361 N362	L354-I358 WeakPolarHBondContact O-CB 3.49Å; L354-I358 VanDerWaalsContact O-CG1 3.24Å; L354-I358 WeakPolarHBondContact O-CG1 3.02Å; L354-I358 PolarHBondContact O-N 3.49Å; E355-I358 PolarHBondContact O-N 2.95Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 3.43Å; I358-K361 PolarHBondContact O-N 3Å; I358-N362 WeakPolarHBondContact O-CB 3.25Å; I358-N362 PolarHBondContact O-N 3.37Å; I358-N362 PolarHBondContact O-ND2 3.22Å
359	I	95.2	Very high	94.5	Very high	96 Å²	96	99 Å²	99	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-47.5	176.3	-68	164.4	0	0	0	110.6	E355 E356 I357 K361 N362 Q363	E355-I359 VanDerWaalsContact O-CG1 3.31Å; E355-I359 WeakPolarHBondContact O-CG1 3.41Å; E355-I359 PolarHBondContact O-N 2.97Å; E356-I359 PolarHBondContact O-N 3.42Å; I357-I359 VanDerWaalsContact C-N 3.34Å; I357-I359 PolarHBondContact O-N 2.92Å; I359-K361 VanDerWaalsContact C-N 3.33Å; I359-K361 PolarHBondContact O-N 3.02Å; I359-N362 PolarHBondContact O-N 3.23Å; I359-Q363 WeakPolarHBondContact O-CG 3.44Å; I359-Q363 PolarHBondContact O-N 2.93Å
360	E	94.9	Very high	94.2	Very high	106 Å²	106	99.2 Å²	99.2	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-58.8	-43.4	176.8	-71.2	179.3	173.5	0	0	112.2	E356 I357 Q363 L364	E356-E360 WeakPolarHBondContact O-CG 3.46Å; E356-E360 PolarHBondContact O-N 2.92Å; I357-E360 PolarHBondContact O-N 3.44Å; E360-Q363 PolarHBondContact O-N 2.86Å; E360-L364 PolarHBondContact O-N 3.35Å
361	K	94	Very high	94	Very high	117 Å²	117	102.6 Å²	102.6	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-38.8	177.6	-67.4	-59.6	179.5	-170.8	0	111.9	I357 I358 I359 L364 I365	I357-K361 HydrophobicContact CG2-CG 4.26Å; I357-K361 WeakPolarHBondContact O-CB 3.42Å; I357-K361 VanDerWaalsContact O-CG 3.24Å; I357-K361 WeakPolarHBondContact O-CG 3.29Å; I357-K361 PolarHBondContact O-N 3.41Å; I358-K361 PolarHBondContact O-N 3Å; I359-K361 VanDerWaalsContact C-N 3.33Å; I359-K361 PolarHBondContact O-N 3.02Å; K361-L364 PolarHBondContact O-N 3.48Å; K361-I365 VanDerWaalsContact O-CG1 3.29Å; K361-I365 WeakPolarHBondContact O-CG1 3.41Å; K361-I365 PolarHBondContact O-N 3.29Å
362	N	93.9	Very high	93.5	Very high	81 Å²	81	103.4 Å²	103.4	43%	0.433	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-42.6	175.8	-71.8	-21.1	0	0	0	111.4	I358 I359 L364 I365 D366	I358-N362 WeakPolarHBondContact O-CB 3.25Å; I358-N362 PolarHBondContact O-N 3.37Å; I358-N362 PolarHBondContact O-ND2 3.22Å; I359-N362 PolarHBondContact O-N 3.23Å; N362-L364 VanDerWaalsContact C-N 3.3Å; N362-L364 PolarHBondContact O-N 3.26Å; N362-I365 WeakPolarHBondContact O-CB 3.34Å; N362-I365 PolarHBondContact O-N 2.88Å; N362-I365 VanDerWaalsContact O-N 3.14Å; N362-D366 PolarHBondContact O-N 3.44Å
363	Q	94	Very high	93	Very high	123 Å²	123	100.9 Å²	100.9	58%	0.575	49%	0.489	S	S	*	.	H	α-helix	trans	-60.6	-39.4	174.1	-71.1	173.5	-2.6	0	0	112.4	I359 E360 D366 N367	I359-Q363 WeakPolarHBondContact O-CG 3.44Å; I359-Q363 PolarHBondContact O-N 2.93Å; E360-Q363 PolarHBondContact O-N 2.86Å; Q363-D366 PolarHBondContact O-N 2.86Å; Q363-N367 PolarHBondContact O-N 2.99Å
364	L	94.8	Very high	92.6	Very high	88 Å²	88	97.3 Å²	97.3	46%	0.461	48%	0.484	S	S	.	.	H	α-helix	trans	-64.8	-41.5	174.4	178.3	62.5	0	0	0	111.8	E360 K361 N362 N367 M368	E360-L364 PolarHBondContact O-N 3.35Å; K361-L364 PolarHBondContact O-N 3.48Å; N362-L364 VanDerWaalsContact C-N 3.3Å; N362-L364 PolarHBondContact O-N 3.26Å; L364-N367 PolarHBondContact O-N 2.92Å; L364-M368 HydrophobicContact CD1-CE 3.9Å; L364-M368 HydrophobicContact CD1-CG 4.41Å; L364-M368 VanDerWaalsContact O-CG 3.23Å; L364-M368 WeakPolarHBondContact O-CG 3.38Å; L364-M368 PolarHBondContact O-N 3.03Å
365	I	93.2	Very high	92	Very high	87 Å²	87	97.1 Å²	97.1	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-44.6	175.8	-70.8	164.6	0	0	0	110.2	K361 N362 N367 M368 N369	K361-I365 VanDerWaalsContact O-CG1 3.29Å; K361-I365 WeakPolarHBondContact O-CG1 3.41Å; K361-I365 PolarHBondContact O-N 3.29Å; N362-I365 WeakPolarHBondContact O-CB 3.34Å; N362-I365 PolarHBondContact O-N 2.88Å; N362-I365 VanDerWaalsContact O-N 3.14Å; I365-N367 PolarHBondContact O-N 3.41Å; I365-M368 PolarHBondContact O-N 3.47Å; I365-N369 WeakPolarHBondContact CG2-ND2 3.35Å; I365-N369 WeakPolarHBondContact O-CB 3.44Å; I365-N369 VanDerWaalsContact O-CG 3.24Å; I365-N369 PolarHBondContact O-N 2.91Å; I365-N369 PolarHBondContact O-ND2 3.47Å
366	D	93.6	Very high	91.4	Very high	102 Å²	102	96.7 Å²	96.7	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-44.3	178.1	-69	-22.6	0	0	0	111.8	N362 Q363 M368 N369 E370	N362-D366 PolarHBondContact O-N 3.44Å; Q363-D366 PolarHBondContact O-N 2.86Å; D366-M368 VanDerWaalsContact C-N 3.33Å; D366-M368 PolarHBondContact O-N 3.11Å; D366-N369 PolarHBondContact O-N 3.48Å; D366-E370 WeakPolarHBondContact O-CB 3.4Å; D366-E370 PolarHBondContact O-N 2.93Å
367	N	93.5	Very high	90.7	Very high	85 Å²	85	95.7 Å²	95.7	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-61.4	-40.8	174.9	-176.7	-92.4	0	0	0	112.4	Q363 L364 I365 E370 R371	Q363-N367 PolarHBondContact O-N 2.99Å; L364-N367 PolarHBondContact O-N 2.92Å; I365-N367 PolarHBondContact O-N 3.41Å; N367-E370 PolarHBondContact O-N 3.01Å; N367-R371 WeakPolarHBondContact O-CB 3.34Å; N367-R371 PolarHBondContact O-N 2.84Å
368	M	89.9	Confident	90	Very high	68 Å²	68	96.3 Å²	96.3	34%	0.335	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-39.6	177.1	-70.3	-67.7	151.1	0	0	111.8	L364 I365 D366 R371 L372	L364-M368 HydrophobicContact CD1-CE 3.9Å; L364-M368 HydrophobicContact CD1-CG 4.41Å; L364-M368 VanDerWaalsContact O-CG 3.23Å; L364-M368 WeakPolarHBondContact O-CG 3.38Å; L364-M368 PolarHBondContact O-N 3.03Å; I365-M368 PolarHBondContact O-N 3.47Å; D366-M368 VanDerWaalsContact C-N 3.33Å; D366-M368 PolarHBondContact O-N 3.11Å; M368-R371 PolarHBondContact O-N 2.83Å; M368-R371 PolarHBondContact SD-NH2 3.4Å; M368-L372 WeakPolarHBondContact O-CG 3.43Å; M368-L372 PolarHBondContact O-N 3.02Å
369	N	91.5	Very high	89	Confident	79 Å²	79	98 Å²	98	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-43.3	174.9	-73.9	-25.6	0	0	0	111.1	I365 D366 R371 L372 T373	I365-N369 WeakPolarHBondContact CG2-ND2 3.35Å; I365-N369 WeakPolarHBondContact O-CB 3.44Å; I365-N369 VanDerWaalsContact O-CG 3.24Å; I365-N369 PolarHBondContact O-N 2.91Å; I365-N369 PolarHBondContact O-ND2 3.47Å; D366-N369 PolarHBondContact O-N 3.48Å; N369-R371 VanDerWaalsContact C-N 3.3Å; N369-R371 PolarHBondContact O-N 2.97Å; N369-L372 CarbonylContact O-C 3.59Å; N369-L372 WeakPolarHBondContact O-CB 3.48Å; N369-L372 PolarHBondContact O-N 3.03Å; N369-L372 VanDerWaalsContact O-N 3.16Å; N369-T373 WeakPolarHBondContact O-CG2 3.49Å; N369-T373 PolarHBondContact O-N 3.31Å; N369-T373 PolarHBondContact O-OG1 3.35Å
370	E	91.1	Very high	87.7	Confident	122 Å²	122	97.4 Å²	97.4	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-60.7	-39.1	173.7	-175.1	-176.9	-167.8	0	0	112.1	D366 N367 T373 T374	D366-E370 WeakPolarHBondContact O-CB 3.4Å; D366-E370 PolarHBondContact O-N 2.93Å; N367-E370 PolarHBondContact O-N 3.01Å; E370-T373 WeakPolarHBondContact CA-OG1 3.37Å; E370-T373 PolarHBondContact O-N 2.93Å; E370-T373 PolarHBondContact O-OG1 3.3Å; E370-T374 WeakPolarHBondContact O-CB 3.35Å; E370-T374 PolarHBondContact O-N 3.47Å; E370-T374 PolarHBondContact O-OG1 3.1Å
371	R	90.7	Very high	86.2	Confident	157 Å²	157	96 Å²	96	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-66.9	-39.8	174.5	-166.2	171.2	64.3	150.6	2.5	111.7	N367 M368 N369 T374 V375	N367-R371 WeakPolarHBondContact O-CB 3.34Å; N367-R371 PolarHBondContact O-N 2.84Å; M368-R371 PolarHBondContact O-N 2.83Å; M368-R371 PolarHBondContact SD-NH2 3.4Å; N369-R371 VanDerWaalsContact C-N 3.3Å; N369-R371 PolarHBondContact O-N 2.97Å; R371-T374 PolarHBondContact O-N 3.3Å; R371-V375 VanDerWaalsContact O-CG2 3.29Å; R371-V375 WeakPolarHBondContact O-CG2 3.48Å; R371-V375 PolarHBondContact O-N 3.41Å
372	L	84.4	Confident	84.8	Confident	99 Å²	99	97.5 Å²	97.5	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-64.4	-42.5	173.9	-79.2	170	0	0	0	111.8	M368 N369 V375 N376	M368-L372 WeakPolarHBondContact O-CG 3.43Å; M368-L372 PolarHBondContact O-N 3.02Å; N369-L372 CarbonylContact O-C 3.59Å; N369-L372 WeakPolarHBondContact O-CB 3.48Å; N369-L372 PolarHBondContact O-N 3.03Å; N369-L372 VanDerWaalsContact O-N 3.16Å; L372-V375 PolarHBondContact O-N 3.42Å; L372-N376 VanDerWaalsContact O-CB 3.32Å; L372-N376 WeakPolarHBondContact O-CB 3.46Å; L372-N376 PolarHBondContact O-N 2.97Å; L372-N376 PolarHBondContact O-ND2 2.84Å
373	T	85.8	Confident	83.1	Confident	87 Å²	87	96.2 Å²	96.2	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.2	57.7	0	0	0	0	111.6	N369 E370 N376 Q377	N369-T373 WeakPolarHBondContact O-CG2 3.49Å; N369-T373 PolarHBondContact O-N 3.31Å; N369-T373 PolarHBondContact O-OG1 3.35Å; E370-T373 WeakPolarHBondContact CA-OG1 3.37Å; E370-T373 PolarHBondContact O-N 2.93Å; E370-T373 PolarHBondContact O-OG1 3.3Å; T373-N376 PolarHBondContact O-N 3.44Å; T373-Q377 WeakPolarHBondContact O-CB 3.47Å; T373-Q377 PolarHBondContact O-N 3.29Å
374	T	86.5	Confident	81.2	Confident	72 Å²	72	96.9 Å²	96.9	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.4	-55.6	0	0	0	0	111.6	E370 R371 Q377 I378	E370-T374 WeakPolarHBondContact O-CB 3.35Å; E370-T374 PolarHBondContact O-N 3.47Å; E370-T374 PolarHBondContact O-OG1 3.1Å; R371-T374 PolarHBondContact O-N 3.3Å; T374-Q377 PolarHBondContact O-N 3.07Å; T374-I378 HydrophobicContact CG2-CD1 3.98Å; T374-I378 VanDerWaalsContact O-CG1 3.25Å; T374-I378 WeakPolarHBondContact O-CG1 3.49Å; T374-I378 PolarHBondContact O-N 3.26Å
375	V	84.4	Confident	78.7	Confident	82 Å²	82	101.2 Å²	101.2	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-43	176.4	169.6	0	0	0	0	111.1	R371 L372 Q377 I378 H379	R371-V375 VanDerWaalsContact O-CG2 3.29Å; R371-V375 WeakPolarHBondContact O-CG2 3.48Å; R371-V375 PolarHBondContact O-N 3.41Å; L372-V375 PolarHBondContact O-N 3.42Å; V375-Q377 VanDerWaalsContact C-N 3.35Å; V375-I378 PolarHBondContact O-N 2.91Å; V375-H379 WeakPolarHBondContact O-CB 3.33Å; V375-H379 PolarHBondContact O-N 3.49Å
376	N	82.6	Confident	76.4	Confident	95 Å²	95	105.5 Å²	105.5	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-38.6	176.4	-73.3	-19.6	0	0	0	111.8	L372 T373 H379 L380	L372-N376 VanDerWaalsContact O-CB 3.32Å; L372-N376 WeakPolarHBondContact O-CB 3.46Å; L372-N376 PolarHBondContact O-N 2.97Å; L372-N376 PolarHBondContact O-ND2 2.84Å; T373-N376 PolarHBondContact O-N 3.44Å; N376-H379 WeakPolarHBondContact O-CB 3.32Å; N376-H379 PolarHBondContact O-N 3.39Å; N376-L380 PolarHBondContact O-N 2.85Å
377	Q	82.1	Confident	73.8	Confident	100 Å²	100	105.9 Å²	105.9	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-66.2	-45.3	175	-171.1	63	46.6	0	0	111.2	T373 T374 V375 H379 L380 D381	T373-Q377 WeakPolarHBondContact O-CB 3.47Å; T373-Q377 PolarHBondContact O-N 3.29Å; T374-Q377 PolarHBondContact O-N 3.07Å; V375-Q377 VanDerWaalsContact C-N 3.35Å; Q377-H379 PolarHBondContact O-N 2.88Å; Q377-L380 WeakPolarHBondContact O-CB 3.48Å; Q377-L380 PolarHBondContact O-N 2.96Å; Q377-L380 VanDerWaalsContact O-N 3.1Å; Q377-D381 PolarHBondContact NE2-OD1 3.49Å; Q377-D381 VanDerWaalsContact O-CG 3.26Å; Q377-D381 PolarHBondContact O-N 3.3Å
378	I	78.8	Confident	71.1	Confident	80 Å²	80	109.1 Å²	109.1	41%	0.41	55%	0.549	S	S	.	.	H	α-helix	trans	-59.5	-36.6	173.6	-68.2	164.6	0	0	0	110.6	T374 V375 K382	T374-I378 HydrophobicContact CG2-CD1 3.98Å; T374-I378 VanDerWaalsContact O-CG1 3.25Å; T374-I378 WeakPolarHBondContact O-CG1 3.49Å; T374-I378 PolarHBondContact O-N 3.26Å; V375-I378 PolarHBondContact O-N 2.91Å; I378-K382 HydrophobicContact CG2-CD 4.14Å; I378-K382 HydrophobicContact CG2-CG 4.49Å; I378-K382 VanDerWaalsContact O-CB 3.3Å; I378-K382 WeakPolarHBondContact O-CB 3.35Å; I378-K382 VanDerWaalsContact O-CG 3.23Å; I378-K382 WeakPolarHBondContact O-CG 3.37Å; I378-K382 PolarHBondContact O-N 3.37Å
379	H	74.3	Confident	68.5	Low	132 Å²	132	111.8 Å²	111.8	61%	0.611	57%	0.569	S	S	*	*	H	α-helix	trans	-67.9	-41	175.8	-171.2	-78.1	0	0	0	111.8	V375 N376 Q377 K382 S383	V375-H379 WeakPolarHBondContact O-CB 3.33Å; V375-H379 PolarHBondContact O-N 3.49Å; N376-H379 WeakPolarHBondContact O-CB 3.32Å; N376-H379 PolarHBondContact O-N 3.39Å; Q377-H379 PolarHBondContact O-N 2.88Å; H379-K382 PolarHBondContact O-N 2.83Å; H379-S383 WeakPolarHBondContact O-CB 3.47Å; H379-S383 PolarHBondContact O-N 3.47Å; H379-S383 PolarHBondContact O-OG 3.24Å
380	L	67.1	Low	66	Low	83 Å²	83	116.8 Å²	116.8	44%	0.435	59%	0.59	S	S	.	*	H	α-helix	trans	-61.6	-51.4	173	-82.8	152.2	0	0	0	111.1	N376 Q377 K382 S383 E384	N376-L380 PolarHBondContact O-N 2.85Å; Q377-L380 WeakPolarHBondContact O-CB 3.48Å; Q377-L380 PolarHBondContact O-N 2.96Å; Q377-L380 VanDerWaalsContact O-N 3.1Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 2.92Å; L380-S383 CarbonylContact O-C 3.55Å; L380-S383 WeakPolarHBondContact O-CA 3.46Å; L380-S383 PolarHBondContact O-N 3.47Å; L380-S383 PolarHBondContact O-OG 3.17Å; L380-E384 PolarHBondContact O-N 2.94Å
381	D	63.6	Low	63.3	Low	77 Å²	77	116.8 Å²	116.8	41%	0.412	60%	0.598	S	S	.	*	H	α-helix	trans	-61.9	-35.4	179.5	-63.2	-7.4	0	0	0	111.9	Q377 H385	Q377-D381 PolarHBondContact NE2-OD1 3.49Å; Q377-D381 VanDerWaalsContact O-CG 3.26Å; Q377-D381 PolarHBondContact O-N 3.3Å; D381-H385 PolarHBondContact O-N 3.41Å
382	K	65.4	Low	60.6	Low	149 Å²	149	115.7 Å²	115.7	65%	0.648	60%	0.604	S	S	*	*	H	α-helix	trans	-67.1	-37.5	171.9	-79.9	176.4	179.2	-179.4	0	112.4	I378 H379 L380	I378-K382 HydrophobicContact CG2-CD 4.14Å; I378-K382 HydrophobicContact CG2-CG 4.49Å; I378-K382 VanDerWaalsContact O-CB 3.3Å; I378-K382 WeakPolarHBondContact O-CB 3.35Å; I378-K382 VanDerWaalsContact O-CG 3.23Å; I378-K382 WeakPolarHBondContact O-CG 3.37Å; I378-K382 PolarHBondContact O-N 3.37Å; H379-K382 PolarHBondContact O-N 2.83Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 2.92Å
383	S	58.2	Low	58	Low	53 Å²	53	117.7 Å²	117.7	37%	0.371	62%	0.615	S	S	.	*	H	α-helix	trans	-73.4	-34.4	177.5	73	0	0	0	0	112.5	H379 L380 H385 E386 V387	H379-S383 WeakPolarHBondContact O-CB 3.47Å; H379-S383 PolarHBondContact O-N 3.47Å; H379-S383 PolarHBondContact O-OG 3.24Å; L380-S383 CarbonylContact O-C 3.55Å; L380-S383 WeakPolarHBondContact O-CA 3.46Å; L380-S383 PolarHBondContact O-N 3.47Å; L380-S383 PolarHBondContact O-OG 3.17Å; S383-H385 VanDerWaalsContact C-N 3.26Å; S383-H385 PolarHBondContact O-N 3.41Å; S383-E386 PolarHBondContact O-N 2.95Å; S383-E386 VanDerWaalsContact O-N 3.16Å; S383-V387 WeakPolarHBondContact O-CG2 3.49Å
384	E	53.9	Low	55.5	Low	138 Å²	138	121.4 Å²	121.4	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-69.2	-24.9	177.8	-72.8	-170.2	177.8	0	0	112.4	L380 E386 V387	L380-E384 PolarHBondContact O-N 2.94Å; E384-E386 PolarHBondContact O-N 3.46Å; E384-V387 PolarHBondContact O-N 3.39Å
385	H	43.1	Very low	52.8	Low	179 Å²	179	125.2 Å²	125.2	83%	0.829	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-1.4	172.5	-96.6	-50.5	0	0	0	115.2	D381 S383	D381-H385 PolarHBondContact O-N 3.41Å; S383-H385 VanDerWaalsContact C-N 3.26Å; S383-H385 PolarHBondContact O-N 3.41Å
386	E	44.6	Very low	50.3	Low	176 Å²	176	129.9 Å²	129.9	82%	0.822	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	8.8	176.2	-144.6	166.4	-162.4	0	0	113.8	S383 E384 I388	S383-E386 PolarHBondContact O-N 2.95Å; S383-E386 VanDerWaalsContact O-N 3.16Å; E384-E386 PolarHBondContact O-N 3.46Å; E386-I388 PolarHBondContact O-N 3.22Å
387	V	38.5	Very low	48.1	Very low	111 Å²	111	130.7 Å²	130.7	67%	0.673	68%	0.676	S	S	*	*			trans	-96	66.2	-174.9	-167.7	0	0	0	0	112.4	S383 E384	S383-V387 WeakPolarHBondContact O-CG2 3.49Å; E384-V387 PolarHBondContact O-N 3.39Å
388	I	35.8	Very low	46	Very low	153 Å²	153	133.9 Å²	133.9	79%	0.785	70%	0.696	S	S	*	*	S	Bend	trans	-141.8	86.2	152.5	-52.7	176	0	0	0	107.5	E386	E386-I388 PolarHBondContact O-N 3.22Å
389	T	37.3	Very low	44	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	72%	0.718	S	S	*	*	S	Bend	trans	164.8	137.3	138.2	45.9	0	0	0	0	109
390	E	37.1	Very low	42.1	Very low	185 Å²	185	140.7 Å²	140.7	86%	0.864	73%	0.727	S	S	*	*			trans	83.9	69	163.2	-63.1	172.8	-167.5	0	0	116.7
391	T	35.5	Very low	40.7	Very low	121 Å²	121	144 Å²	144	74%	0.742	74%	0.74	S	S	*	*			trans	-42.8	137.8	141.2	40.4	0	0	0	0	114.6
392	N	33.4	Very low	39.7	Very low	135 Å²	135	146 Å²	146	72%	0.722	76%	0.76	S	S	*	*			trans	89.5	120	138.5	-65.6	-5.9	0	0	0	119.5
393	D	30.2	Very low	38.9	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	76%	0.763	S	S	*	*			trans	92.7	53.8	143.9	-54.7	-22.6	0	0	0	119
394	I	34.3	Very low	38.4	Very low	165 Å²	165	148.5 Å²	148.5	85%	0.846	78%	0.779	S	S	*	*			trans	-136.1	81.7	147.8	-51.1	178.3	0	0	0	110.3	Q396	I394-Q396 PolarHBondContact O-N 2.9Å
395	I	29.4	Very low	38.3	Very low	152 Å²	152	144.7 Å²	144.7	78%	0.779	77%	0.768	S	S	*	*			trans	18.1	89.4	133.4	-50.7	173	0	0	0	114.6
396	Q	31.1	Very low	39.2	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	75%	0.753	S	S	*	*			trans	171	113.2	139	-101.7	156.7	-34	0	0	110	I394	I394-Q396 PolarHBondContact O-N 2.9Å
397	S	36.7	Very low	40.4	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	74%	0.736	S	S	*	*			trans	146.8	60.1	144	71.1	0	0	0	0	111.4
398	N	37.9	Very low	42.3	Very low	167 Å²	167	135 Å²	135	89%	0.893	73%	0.728	S	S	*	*	S	Bend	trans	-122.6	112.5	153.1	-91	-16.8	0	0	0	107.7
399	F	36.1	Very low	44.3	Very low	200 Å²	200	132.9 Å²	132.9	88%	0.877	71%	0.714	S	S	*	*	S	Bend	trans	99.1	43.7	150.2	-142.8	-96.5	0	0	0	119.7
400	I	35.7	Very low	46.4	Very low	155 Å²	155	130.9 Å²	130.9	80%	0.795	70%	0.698	S	S	*	*			trans	-148.8	80.7	144.9	-47.5	177.5	0	0	0	109.5
401	H	36.6	Very low	48.7	Very low	153 Å²	153	127.6 Å²	127.6	71%	0.708	68%	0.681	S	S	*	*			trans	-161.5	55.7	150.7	-89.5	-50	0	0	0	108.4	S403 Q404	H401-S403 VanDerWaalsContact C-N 3.31Å; H401-S403 PolarHBondContact O-N 3.45Å; H401-Q404 PolarHBondContact CE1-OE1 2.84Å; H401-Q404 PolarHBondContact ND1-OE1 3.31Å
402	S	42.4	Very low	50.9	Low	118 Å²	118	125.1 Å²	125.1	83%	0.825	67%	0.669	S	S	*	*	S	Bend	trans	-66.3	103.7	153.4	63.1	0	0	0	0	106.1
403	S	49.2	Very low	53.4	Low	103 Å²	103	122.7 Å²	122.7	72%	0.72	66%	0.655	S	S	*	*			trans	44.7	90.5	160.3	169.6	0	0	0	0	113.7	H401 C405	H401-S403 VanDerWaalsContact C-N 3.31Å; H401-S403 PolarHBondContact O-N 3.45Å; S403-C405 PolarHBondContact O-N 2.9Å
404	Q	46.8	Very low	56.2	Low	151 Å²	151	118.3 Å²	118.3	71%	0.706	63%	0.633	S	S	*	*			trans	-52.8	81.6	160.6	-160.5	123.6	-21.3	0	0	108.8	H401 D406	H401-Q404 PolarHBondContact CE1-OE1 2.84Å; H401-Q404 PolarHBondContact ND1-OE1 3.31Å; Q404-D406 PolarHBondContact O-N 3.29Å
405	C	52.3	Low	58.7	Low	59 Å²	59	116.1 Å²	116.1	40%	0.399	62%	0.622	S	S	.	*			trans	-67.4	108.5	172	-174.1	0	0	0	0	104.1	S403 P407 I410	S403-C405 PolarHBondContact O-N 2.9Å; C405-P407 VanDerWaalsContact O-N 3.09Å; C405-I410 HydrophobicContact CB-CD1 3.86Å; C405-I410 HydrophobicContact CB-CG1 4.03Å; C405-I410 WeakPolarHBondContact SG-CG1 3.34Å
406	D	61.8	Low	61.6	Low	98 Å²	98	114.4 Å²	114.4	52%	0.524	61%	0.611	S	S	.	*			trans	-48.4	120.6	-172.3	-157	-14	0	0	0	108	Q404 D408 H409 I410	Q404-D406 PolarHBondContact O-N 3.29Å; D406-D408 PolarHBondContact O-N 2.91Å; D406-H409 HydrophobicContact CB-CB 4.19Å; D406-H409 WeakPolarHBondContact O-CA 3.26Å; D406-H409 PolarHBondContact O-N 3.4Å; D406-I410 PolarHBondContact O-N 3.24Å; D406-I410 VanDerWaalsContact O-N 3.1Å
407	P	70.6	Confident	64.4	Low	72 Å²	72	112.8 Å²	112.8	47%	0.468	60%	0.597	S	S	.	*	H	α-helix	trans	-52.8	-25.2	-175.9	16.1	-30.8	0	0	0	112.1	C405 K411	C405-P407 VanDerWaalsContact O-N 3.09Å; P407-K411 WeakPolarHBondContact O-CB 3.37Å; P407-K411 WeakPolarHBondContact O-CD 3.3Å; P407-K411 WeakPolarHBondContact O-CE 3.38Å; P407-K411 WeakPolarHBondContact O-CG 3.37Å; P407-K411 PolarHBondContact O-N 2.7Å
408	D	78.5	Confident	67.1	Low	93 Å²	93	110.3 Å²	110.3	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-76.7	-31.5	175.5	-67.7	-16.2	0	0	0	113.7	D406 K411 S412	D406-D408 PolarHBondContact O-N 2.91Å; D408-K411 PolarHBondContact O-N 2.85Å; D408-K411 IonicContact OD1-NZ 2.8Å; D408-K411 PolarHBondContact OD1-NZ 3.39Å; D408-S412 WeakPolarHBondContact O-CB 3.37Å; D408-S412 PolarHBondContact O-N 3.49Å; D408-S412 PolarHBondContact O-OG 2.95Å
409	H	77.8	Confident	69.8	Low	108 Å²	108	104.2 Å²	104.2	50%	0.5	55%	0.552	S	S	.	*	H	α-helix	trans	-71.2	-41.4	172.2	-166.9	64.7	0	0	0	111.5	D406 K411 S412 L413	D406-H409 HydrophobicContact CB-CB 4.19Å; D406-H409 WeakPolarHBondContact O-CA 3.26Å; D406-H409 PolarHBondContact O-N 3.4Å; H409-K411 VanDerWaalsContact C-N 3.33Å; H409-K411 PolarHBondContact O-N 3.02Å; H409-S412 PolarHBondContact O-N 3.21Å; H409-L413 WeakPolarHBondContact O-CG 3.32Å; H409-L413 PolarHBondContact O-N 3.01Å
410	I	81.2	Confident	72.5	Confident	81 Å²	81	99.1 Å²	99.1	42%	0.415	53%	0.533	S	S	.	.	H	α-helix	trans	-59.4	-45.7	171.9	-61.5	-179.6	0	0	0	110.2	C405 D406 S412 L413 T414	C405-I410 HydrophobicContact CB-CD1 3.86Å; C405-I410 HydrophobicContact CB-CG1 4.03Å; C405-I410 WeakPolarHBondContact SG-CG1 3.34Å; D406-I410 PolarHBondContact O-N 3.24Å; D406-I410 VanDerWaalsContact O-N 3.1Å; I410-S412 VanDerWaalsContact C-N 3.33Å; I410-S412 PolarHBondContact O-N 3.33Å; I410-L413 PolarHBondContact O-N 2.93Å; I410-T414 VanDerWaalsContact O-CB 3.26Å; I410-T414 WeakPolarHBondContact O-CB 3.1Å; I410-T414 PolarHBondContact O-N 3.23Å; I410-T414 PolarHBondContact O-OG1 2.91Å
411	K	85.7	Confident	75.3	Confident	115 Å²	115	94.8 Å²	94.8	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-43.4	176.6	-74.7	168.2	-152.9	161.5	0	111.5	P407 D408 H409 T414 I415	P407-K411 WeakPolarHBondContact O-CB 3.37Å; P407-K411 WeakPolarHBondContact O-CD 3.3Å; P407-K411 WeakPolarHBondContact O-CE 3.38Å; P407-K411 WeakPolarHBondContact O-CG 3.37Å; P407-K411 PolarHBondContact O-N 2.7Å; D408-K411 PolarHBondContact O-N 2.85Å; D408-K411 IonicContact OD1-NZ 2.8Å; D408-K411 PolarHBondContact OD1-NZ 3.39Å; H409-K411 VanDerWaalsContact C-N 3.33Å; H409-K411 PolarHBondContact O-N 3.02Å; K411-T414 PolarHBondContact O-N 3.39Å; K411-I415 WeakPolarHBondContact O-CD1 3.35Å; K411-I415 VanDerWaalsContact O-CG1 3.24Å; K411-I415 WeakPolarHBondContact O-CG1 3.49Å; K411-I415 PolarHBondContact O-N 3.29Å
412	S	82	Confident	78	Confident	70 Å²	70	94.3 Å²	94.3	49%	0.49	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-49	179.3	-59.6	0	0	0	0	111.7	D408 H409 I410 T414 I415 E416	D408-S412 WeakPolarHBondContact O-CB 3.37Å; D408-S412 PolarHBondContact O-N 3.49Å; D408-S412 PolarHBondContact O-OG 2.95Å; H409-S412 PolarHBondContact O-N 3.21Å; I410-S412 VanDerWaalsContact C-N 3.33Å; I410-S412 PolarHBondContact O-N 3.33Å; S412-T414 VanDerWaalsContact C-N 3.31Å; S412-T414 PolarHBondContact O-N 3.39Å; S412-I415 PolarHBondContact O-N 3.46Å; S412-E416 PolarHBondContact O-N 3.49Å
413	L	84.6	Confident	80.5	Confident	84 Å²	84	92.8 Å²	92.8	44%	0.44	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-33.1	175.9	-69.2	175.6	0	0	0	112.4	H409 I410 E416 R417	H409-L413 WeakPolarHBondContact O-CG 3.32Å; H409-L413 PolarHBondContact O-N 3.01Å; I410-L413 PolarHBondContact O-N 2.93Å; L413-E416 PolarHBondContact O-N 3.39Å; L413-R417 VanDerWaalsContact O-CB 3.26Å; L413-R417 WeakPolarHBondContact O-CB 3.46Å; L413-R417 PolarHBondContact O-N 2.88Å
414	T	89	Confident	82.6	Confident	48 Å²	48	92.4 Å²	92.4	29%	0.294	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-42	175.7	-58	0	0	0	0	111	I410 K411 S412 R417 D418	I410-T414 VanDerWaalsContact O-CB 3.26Å; I410-T414 WeakPolarHBondContact O-CB 3.1Å; I410-T414 PolarHBondContact O-N 3.23Å; I410-T414 PolarHBondContact O-OG1 2.91Å; K411-T414 PolarHBondContact O-N 3.39Å; S412-T414 VanDerWaalsContact C-N 3.31Å; S412-T414 PolarHBondContact O-N 3.39Å; T414-R417 PolarHBondContact O-N 2.94Å; T414-D418 WeakPolarHBondContact O-CB 3.4Å; T414-D418 PolarHBondContact O-N 3.33Å
415	I	88.2	Confident	84.8	Confident	120 Å²	120	90.2 Å²	90.2	62%	0.615	47%	0.471	S	S	*	.	H	α-helix	trans	-65.2	-42.7	176.2	-67.9	161.4	0	0	0	110.8	K411 S412 D418 G419	K411-I415 WeakPolarHBondContact O-CD1 3.35Å; K411-I415 VanDerWaalsContact O-CG1 3.24Å; K411-I415 WeakPolarHBondContact O-CG1 3.49Å; K411-I415 PolarHBondContact O-N 3.29Å; S412-I415 PolarHBondContact O-N 3.46Å; I415-D418 PolarHBondContact O-N 2.88Å; I415-G419 PolarHBondContact O-N 2.98Å
416	E	89.6	Confident	86.8	Confident	116 Å²	116	92.5 Å²	92.5	54%	0.542	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-48	176.4	-174.7	-177.3	172.4	0	0	111.3	S412 L413 D418 G419 L420	S412-E416 PolarHBondContact O-N 3.49Å; L413-E416 PolarHBondContact O-N 3.39Å; E416-D418 VanDerWaalsContact C-N 3.3Å; E416-D418 PolarHBondContact O-N 3.31Å; E416-G419 PolarHBondContact O-N 2.89Å; E416-G419 VanDerWaalsContact O-N 3.11Å; E416-L420 HydrophobicContact CG-CD1 4.34Å; E416-L420 WeakPolarHBondContact O-CG 3.34Å; E416-L420 PolarHBondContact O-N 2.93Å
417	R	90	Very high	88.4	Confident	145 Å²	145	93.3 Å²	93.3	55%	0.547	48%	0.481	S	S	.	.	H	α-helix	trans	-54.9	-47.5	174.1	-177.2	-154.5	68.4	-179.2	-1.7	110.8	L413 T414 G419 L420 V421	L413-R417 VanDerWaalsContact O-CB 3.26Å; L413-R417 WeakPolarHBondContact O-CB 3.46Å; L413-R417 PolarHBondContact O-N 2.88Å; T414-R417 PolarHBondContact O-N 2.94Å; R417-G419 VanDerWaalsContact C-N 3.3Å; R417-G419 PolarHBondContact O-N 3.15Å; R417-L420 PolarHBondContact O-N 3.5Å; R417-V421 WeakPolarHBondContact O-CB 3.42Å; R417-V421 VanDerWaalsContact O-CG2 3.25Å; R417-V421 WeakPolarHBondContact O-CG2 3.4Å; R417-V421 PolarHBondContact O-N 3.26Å
418	D	93.1	Very high	89.5	Confident	61 Å²	61	95.5 Å²	95.5	33%	0.326	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-31.8	-179.8	-68.6	-6.9	0	0	0	112.1	T414 I415 E416 K422	T414-D418 WeakPolarHBondContact O-CB 3.4Å; T414-D418 PolarHBondContact O-N 3.33Å; I415-D418 PolarHBondContact O-N 2.88Å; E416-D418 VanDerWaalsContact C-N 3.3Å; E416-D418 PolarHBondContact O-N 3.31Å; D418-K422 VanDerWaalsContact O-CG 3.29Å; D418-K422 WeakPolarHBondContact O-CG 3.49Å; D418-K422 PolarHBondContact O-N 2.95Å; D418-K422 VanDerWaalsContact O-N 3.11Å
419	G	93.7	Very high	90.3	Very high	39 Å²	39	94.9 Å²	94.9	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-67.7	-44.6	172	0	0	0	0	0	112.8	I415 E416 R417 K422 L423	I415-G419 PolarHBondContact O-N 2.98Å; E416-G419 PolarHBondContact O-N 2.89Å; E416-G419 VanDerWaalsContact O-N 3.11Å; R417-G419 VanDerWaalsContact C-N 3.3Å; R417-G419 PolarHBondContact O-N 3.15Å; G419-K422 PolarHBondContact O-N 2.85Å; G419-L423 PolarHBondContact O-N 3.29Å
420	L	94.1	Very high	91.2	Very high	93 Å²	93	95.2 Å²	95.2	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-65.9	-40	176.3	-70.3	175.5	0	0	0	111.8	E416 R417 L423 I424	E416-L420 HydrophobicContact CG-CD1 4.34Å; E416-L420 WeakPolarHBondContact O-CG 3.34Å; E416-L420 PolarHBondContact O-N 2.93Å; R417-L420 PolarHBondContact O-N 3.5Å; L420-L423 PolarHBondContact O-N 2.99Å; L420-I424 WeakPolarHBondContact O-CG1 3.34Å; L420-I424 PolarHBondContact O-N 3.44Å
421	V	94.9	Very high	91.8	Very high	63 Å²	63	96.5 Å²	96.5	38%	0.382	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-47.8	174.3	168.7	0	0	0	0	110.7	R417 L423 I424 E425	R417-V421 WeakPolarHBondContact O-CB 3.42Å; R417-V421 VanDerWaalsContact O-CG2 3.25Å; R417-V421 WeakPolarHBondContact O-CG2 3.4Å; R417-V421 PolarHBondContact O-N 3.26Å; V421-L423 VanDerWaalsContact C-N 3.27Å; V421-L423 PolarHBondContact O-N 3.42Å; V421-I424 PolarHBondContact O-N 3.42Å; V421-E425 HydrophobicContact CG1-CG 4.42Å; V421-E425 WeakPolarHBondContact O-CG 3.48Å; V421-E425 PolarHBondContact O-N 2.71Å
422	K	93.4	Very high	92.3	Very high	143 Å²	143	97 Å²	97	62%	0.622	50%	0.495	S	S	*	.	H	α-helix	trans	-60.8	-35.5	175.4	-74.3	172	-175.4	175.1	0	113.1	D418 G419 N426	D418-K422 VanDerWaalsContact O-CG 3.29Å; D418-K422 WeakPolarHBondContact O-CG 3.49Å; D418-K422 PolarHBondContact O-N 2.95Å; D418-K422 VanDerWaalsContact O-N 3.11Å; G419-K422 PolarHBondContact O-N 2.85Å; K422-N426 WeakPolarHBondContact O-CB 3.33Å; K422-N426 PolarHBondContact O-N 2.85Å
423	L	93.7	Very high	92.9	Very high	87 Å²	87	99.1 Å²	99.1	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-67.9	-43.5	176.2	-179.4	63.4	0	0	0	111.2	G419 L420 V421 N426 M427	G419-L423 PolarHBondContact O-N 3.29Å; L420-L423 PolarHBondContact O-N 2.99Å; V421-L423 VanDerWaalsContact C-N 3.27Å; V421-L423 PolarHBondContact O-N 3.42Å; L423-N426 PolarHBondContact O-N 2.93Å; L423-M427 HydrophobicContact CD1-CE 4.05Å; L423-M427 HydrophobicContact CD2-CE 4.29Å; L423-M427 HydrophobicContact CG-CE 4.09Å; L423-M427 WeakPolarHBondContact O-CG 3.47Å; L423-M427 PolarHBondContact O-N 3.37Å
424	I	93.1	Very high	93.4	Very high	94 Å²	94	98.8 Å²	98.8	48%	0.482	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-48.4	175.3	-69.9	167.8	0	0	0	109.8	L420 V421 N426 M427 E428	L420-I424 WeakPolarHBondContact O-CG1 3.34Å; L420-I424 PolarHBondContact O-N 3.44Å; V421-I424 PolarHBondContact O-N 3.42Å; I424-N426 VanDerWaalsContact C-N 3.27Å; I424-N426 PolarHBondContact O-N 3.17Å; I424-M427 PolarHBondContact O-N 3.47Å; I424-M427 VanDerWaalsContact O-N 3.11Å; I424-E428 HydrophobicContact CG2-CG 4.25Å; I424-E428 WeakPolarHBondContact O-CB 3.46Å; I424-E428 WeakPolarHBondContact O-CG 3.29Å; I424-E428 PolarHBondContact O-N 2.97Å
425	E	94.1	Very high	93.8	Very high	106 Å²	106	100.1 Å²	100.1	50%	0.495	50%	0.504	S	S	.	.	H	α-helix	trans	-58	-37.2	176.9	-72	172.5	170.2	0	0	112.7	V421 S429	V421-E425 HydrophobicContact CG1-CG 4.42Å; V421-E425 WeakPolarHBondContact O-CG 3.48Å; V421-E425 PolarHBondContact O-N 2.71Å; E425-S429 WeakPolarHBondContact O-CB 3.22Å; E425-S429 PolarHBondContact O-N 2.87Å; E425-S429 PolarHBondContact O-OG 3.32Å
426	N	94.7	Very high	94.1	Very high	107 Å²	107	98.6 Å²	98.6	57%	0.572	50%	0.497	S	S	*	.	H	α-helix	trans	-68.6	-46	174.9	-173.2	-31.2	0	0	0	111.6	K422 L423 I424 E428 S429 R430	K422-N426 WeakPolarHBondContact O-CB 3.33Å; K422-N426 PolarHBondContact O-N 2.85Å; L423-N426 PolarHBondContact O-N 2.93Å; I424-N426 VanDerWaalsContact C-N 3.27Å; I424-N426 PolarHBondContact O-N 3.17Å; N426-E428 VanDerWaalsContact C-N 3.33Å; N426-E428 PolarHBondContact O-N 3.44Å; N426-S429 PolarHBondContact O-N 2.88Å; N426-R430 WeakPolarHBondContact O-CB 3.43Å; N426-R430 PolarHBondContact O-N 3.38Å
427	M	94.1	Very high	94.4	Very high	114 Å²	114	98.1 Å²	98.1	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-40.6	176.5	-68.5	-151.5	-165.3	0	0	111.9	L423 I424 R430 I431	L423-M427 HydrophobicContact CD1-CE 4.05Å; L423-M427 HydrophobicContact CD2-CE 4.29Å; L423-M427 HydrophobicContact CG-CE 4.09Å; L423-M427 WeakPolarHBondContact O-CG 3.47Å; L423-M427 PolarHBondContact O-N 3.37Å; I424-M427 PolarHBondContact O-N 3.47Å; I424-M427 VanDerWaalsContact O-N 3.11Å; M427-R430 PolarHBondContact O-N 2.99Å; M427-I431 VanDerWaalsContact O-CG1 3.29Å; M427-I431 WeakPolarHBondContact O-CG1 3.35Å; M427-I431 PolarHBondContact O-N 3.43Å
428	E	95.1	Very high	94.5	Very high	119 Å²	119	98.8 Å²	98.8	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-61.5	-45.7	174.4	-72.9	178.2	165.2	0	0	111.2	I424 N426 R430 I431 E432	I424-E428 HydrophobicContact CG2-CG 4.25Å; I424-E428 WeakPolarHBondContact O-CB 3.46Å; I424-E428 WeakPolarHBondContact O-CG 3.29Å; I424-E428 PolarHBondContact O-N 2.97Å; N426-E428 VanDerWaalsContact C-N 3.33Å; N426-E428 PolarHBondContact O-N 3.44Å; E428-R430 VanDerWaalsContact C-N 3.3Å; E428-R430 PolarHBondContact O-N 3.15Å; E428-I431 PolarHBondContact O-N 3.09Å; E428-E432 PolarHBondContact O-N 3.11Å
429	S	94.7	Very high	94.5	Very high	79 Å²	79	101.3 Å²	101.3	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-60.1	-38.5	174.4	-61.9	0	0	0	0	112.5	E425 N426 E432 E433	E425-S429 WeakPolarHBondContact O-CB 3.22Å; E425-S429 PolarHBondContact O-N 2.87Å; E425-S429 PolarHBondContact O-OG 3.32Å; N426-S429 PolarHBondContact O-N 2.88Å; S429-E432 PolarHBondContact O-N 3.42Å; S429-E433 PolarHBondContact O-N 2.7Å; S429-E433 VanDerWaalsContact O-N 3.1Å
430	R	96.5	Very high	94.6	Very high	116 Å²	116	106.8 Å²	106.8	44%	0.438	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-36.6	177	-177.2	58.4	179.7	133.1	5.8	112.3	N426 M427 E428 E433 L434	N426-R430 WeakPolarHBondContact O-CB 3.43Å; N426-R430 PolarHBondContact O-N 3.38Å; M427-R430 PolarHBondContact O-N 2.99Å; E428-R430 VanDerWaalsContact C-N 3.3Å; E428-R430 PolarHBondContact O-N 3.15Å; R430-E433 IonicContact CZ-OE2 2.74Å; R430-E433 IonicContact NH1-OE2 3.51Å; R430-E433 PolarHBondContact NH1-OE2 2.87Å; R430-L434 WeakPolarHBondContact O-CG 3.39Å; R430-L434 PolarHBondContact O-N 3.24Å
431	I	94.8	Very high	94.5	Very high	108 Å²	108	107 Å²	107	55%	0.554	53%	0.526	S	S	*	.	H	α-helix	trans	-65	-44.9	174.3	-70.4	165.3	0	0	0	110.1	M427 E428 E433 L434 V435	M427-I431 VanDerWaalsContact O-CG1 3.29Å; M427-I431 WeakPolarHBondContact O-CG1 3.35Å; M427-I431 PolarHBondContact O-N 3.43Å; E428-I431 PolarHBondContact O-N 3.09Å; I431-E433 PolarHBondContact O-N 3.13Å; I431-L434 PolarHBondContact O-N 3.48Å; I431-V435 HydrophobicContact CG2-CG2 4.47Å; I431-V435 WeakPolarHBondContact O-CG2 3.33Å; I431-V435 PolarHBondContact O-N 3.09Å
432	E	95	Very high	94.4	Very high	126 Å²	126	111.3 Å²	111.3	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-58.4	-44	177.4	-165.7	85.4	-136.7	0	0	112	E428 S429 V435 N436	E428-E432 PolarHBondContact O-N 3.11Å; S429-E432 PolarHBondContact O-N 3.42Å; E432-V435 PolarHBondContact O-N 3.19Å; E432-N436 PolarHBondContact O-N 3.23Å; E432-N436 PolarHBondContact O-ND2 2.97Å
433	E	94.7	Very high	94.3	Very high	113 Å²	113	109.9 Å²	109.9	53%	0.528	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-46.9	177.1	-171	-172.3	-162.5	0	0	112.2	S429 R430 I431 V435 N436 E437	S429-E433 PolarHBondContact O-N 2.7Å; S429-E433 VanDerWaalsContact O-N 3.1Å; R430-E433 IonicContact CZ-OE2 2.74Å; R430-E433 IonicContact NH1-OE2 3.51Å; R430-E433 PolarHBondContact NH1-OE2 2.87Å; I431-E433 PolarHBondContact O-N 3.13Å; E433-V435 VanDerWaalsContact C-N 3.31Å; E433-V435 PolarHBondContact O-N 3.25Å; E433-N436 PolarHBondContact O-N 3.47Å; E433-E437 PolarHBondContact O-N 3.43Å
434	L	94.9	Very high	94.4	Very high	78 Å²	78	110.7 Å²	110.7	41%	0.408	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-35.5	178.1	-73.8	172	0	0	0	112.3	R430 I431 K438	R430-L434 WeakPolarHBondContact O-CG 3.39Å; R430-L434 PolarHBondContact O-N 3.24Å; I431-L434 PolarHBondContact O-N 3.48Å; L434-K438 WeakPolarHBondContact O-CB 3.36Å; L434-K438 PolarHBondContact O-N 3.17Å
435	V	97	Very high	93.8	Very high	76 Å²	76	110.9 Å²	110.9	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-66.2	-42.5	174.9	170.4	0	0	0	0	110.9	I431 E432 E433 K438 M439	I431-V435 HydrophobicContact CG2-CG2 4.47Å; I431-V435 WeakPolarHBondContact O-CG2 3.33Å; I431-V435 PolarHBondContact O-N 3.09Å; E432-V435 PolarHBondContact O-N 3.19Å; E433-V435 VanDerWaalsContact C-N 3.31Å; E433-V435 PolarHBondContact O-N 3.25Å; V435-K438 PolarHBondContact O-N 2.85Å; V435-M439 PolarHBondContact O-N 3.25Å
436	N	94.2	Very high	93.2	Very high	88 Å²	88	108.8 Å²	108.8	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-41.6	176.7	-76.3	-37.2	0	0	0	112.5	E432 E433 M439 K440	E432-N436 PolarHBondContact O-N 3.23Å; E432-N436 PolarHBondContact O-ND2 2.97Å; E433-N436 PolarHBondContact O-N 3.47Å; N436-M439 PolarHBondContact O-N 3.06Å; N436-K440 PolarHBondContact O-N 2.87Å
437	E	96.1	Very high	92.6	Very high	105 Å²	105	107.7 Å²	107.7	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-61.5	-46.4	174.9	-173.3	177.8	-173.8	0	0	111.5	E433 M439 K440 L441	E433-E437 PolarHBondContact O-N 3.43Å; E437-M439 VanDerWaalsContact C-N 3.28Å; E437-M439 PolarHBondContact O-N 2.82Å; E437-K440 PolarHBondContact O-N 3.5Å; E437-L441 HydrophobicContact CG-CD1 4.27Å; E437-L441 PolarHBondContact O-N 3.36Å
438	K	92.9	Very high	91.8	Very high	159 Å²	159	106.6 Å²	106.6	69%	0.691	52%	0.524	S	S	*	.	H	α-helix	trans	-58.9	-39	175	-177.5	178.9	179.5	178	0	112	L434 V435 K442	L434-K438 WeakPolarHBondContact O-CB 3.36Å; L434-K438 PolarHBondContact O-N 3.17Å; V435-K438 PolarHBondContact O-N 2.85Å; K438-K442 WeakPolarHBondContact O-CB 3.26Å; K438-K442 PolarHBondContact O-N 3.39Å
439	M	93.9	Very high	90.9	Very high	114 Å²	114	106.1 Å²	106.1	56%	0.562	52%	0.524	S	S	*	.	H	α-helix	trans	-65.9	-43.8	176.8	-169.4	-173.2	-71.6	0	0	111.7	V435 N436 E437 K442 L443	V435-M439 PolarHBondContact O-N 3.25Å; N436-M439 PolarHBondContact O-N 3.06Å; E437-M439 VanDerWaalsContact C-N 3.28Å; E437-M439 PolarHBondContact O-N 2.82Å; M439-K442 PolarHBondContact O-N 2.86Å; M439-L443 PolarHBondContact O-N 2.88Å
440	K	95.1	Very high	89.9	Confident	154 Å²	154	110.1 Å²	110.1	67%	0.67	53%	0.527	S	S	*	.	H	α-helix	trans	-61.6	-47.9	177.1	-173.9	-177.6	176.3	-172.2	0	111.9	N436 E437 K442 L443 E444	N436-K440 PolarHBondContact O-N 2.87Å; E437-K440 PolarHBondContact O-N 3.5Å; K440-K442 VanDerWaalsContact C-N 3.3Å; K440-K442 PolarHBondContact O-N 3.37Å; K440-L443 WeakPolarHBondContact O-CB 3.41Å; K440-L443 PolarHBondContact O-N 3.45Å; K440-E444 PolarHBondContact O-N 3.48Å
441	L	91.4	Very high	88.9	Confident	97 Å²	97	110.5 Å²	110.5	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-38.2	177.1	-72.6	171.7	0	0	0	111.9	E437 E444 N445	E437-L441 HydrophobicContact CG-CD1 4.27Å; E437-L441 PolarHBondContact O-N 3.36Å; L441-E444 PolarHBondContact O-N 2.91Å; L441-N445 WeakPolarHBondContact O-CB 3.48Å; L441-N445 PolarHBondContact O-N 3.29Å
442	K	93.7	Very high	87.4	Confident	154 Å²	154	112.6 Å²	112.6	67%	0.67	54%	0.543	S	S	*	.	H	α-helix	trans	-62.8	-42.3	175.2	-170.2	176.7	179.8	-178	0	111.6	K438 M439 K440 N445 T446	K438-K442 WeakPolarHBondContact O-CB 3.26Å; K438-K442 PolarHBondContact O-N 3.39Å; M439-K442 PolarHBondContact O-N 2.86Å; K440-K442 VanDerWaalsContact C-N 3.3Å; K440-K442 PolarHBondContact O-N 3.37Å; K442-N445 PolarHBondContact O-N 3.5Å; K442-T446 WeakPolarHBondContact O-CG2 3.35Å; K442-T446 PolarHBondContact O-N 2.89Å; K442-T446 VanDerWaalsContact O-N 3.09Å
443	L	91.4	Very high	85.8	Confident	113 Å²	113	110.8 Å²	110.8	59%	0.592	55%	0.55	S	S	*	.	H	α-helix	trans	-62.8	-48	175.8	-79.8	165.3	0	0	0	111.9	M439 K440 N445 T446 E447	M439-L443 PolarHBondContact O-N 2.88Å; K440-L443 WeakPolarHBondContact O-CB 3.41Å; K440-L443 PolarHBondContact O-N 3.45Å; L443-N445 VanDerWaalsContact C-N 3.31Å; L443-N445 PolarHBondContact O-N 3.49Å; L443-T446 PolarHBondContact O-N 3.2Å; L443-T446 VanDerWaalsContact O-N 3.15Å; L443-T446 PolarHBondContact O-OG1 2.87Å; L443-E447 PolarHBondContact O-N 3.49Å
444	E	94.1	Very high	83.6	Confident	105 Å²	105	108 Å²	108	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-58.7	-42.8	177.6	-174.4	172.9	-173.7	0	0	111.9	K440 L441 T446 E447 L448	K440-E444 PolarHBondContact O-N 3.48Å; L441-E444 PolarHBondContact O-N 2.91Å; E444-T446 VanDerWaalsContact C-N 3.34Å; E444-T446 PolarHBondContact O-N 2.87Å; E444-E447 WeakPolarHBondContact O-CB 3.25Å; E444-E447 PolarHBondContact O-N 3.35Å; E444-E447 VanDerWaalsContact O-N 3.11Å; E444-L448 PolarHBondContact O-N 2.76Å
445	N	80.4	Confident	81.1	Confident	98 Å²	98	113.4 Å²	113.4	52%	0.524	57%	0.572	S	S	.	*	H	α-helix	trans	-63.8	-39.7	177.9	-149.9	-7.1	0	0	0	111.6	L441 K442 L443 E447 L448 I449	L441-N445 WeakPolarHBondContact O-CB 3.48Å; L441-N445 PolarHBondContact O-N 3.29Å; K442-N445 PolarHBondContact O-N 3.5Å; L443-N445 VanDerWaalsContact C-N 3.31Å; L443-N445 PolarHBondContact O-N 3.49Å; N445-E447 VanDerWaalsContact C-N 3.31Å; N445-E447 PolarHBondContact O-N 2.88Å; N445-L448 PolarHBondContact O-N 2.95Å; N445-I449 VanDerWaalsContact O-CG1 3.25Å; N445-I449 WeakPolarHBondContact O-CG1 3.3Å; N445-I449 PolarHBondContact O-N 3Å
446	T	81.9	Confident	78.4	Confident	61 Å²	61	115.3 Å²	115.3	37%	0.374	59%	0.586	S	S	.	*	H	α-helix	trans	-66.5	-31.6	173.6	64.3	0	0	0	0	113.2	K442 L443 E444 R450	K442-T446 WeakPolarHBondContact O-CG2 3.35Å; K442-T446 PolarHBondContact O-N 2.89Å; K442-T446 VanDerWaalsContact O-N 3.09Å; L443-T446 PolarHBondContact O-N 3.2Å; L443-T446 VanDerWaalsContact O-N 3.15Å; L443-T446 PolarHBondContact O-OG1 2.87Å; E444-T446 VanDerWaalsContact C-N 3.34Å; E444-T446 PolarHBondContact O-N 2.87Å; T446-R450 WeakPolarHBondContact O-CB 3.43Å; T446-R450 PolarHBondContact O-N 3.18Å
447	E	83.4	Confident	75.6	Confident	85 Å²	85	117.5 Å²	117.5	40%	0.397	60%	0.597	S	S	.	*	H	α-helix	trans	-71.7	-40.5	175.6	-163.5	-173	148.6	0	0	111.7	L443 E444 N445 R450 K451	L443-E447 PolarHBondContact O-N 3.49Å; E444-E447 WeakPolarHBondContact O-CB 3.25Å; E444-E447 PolarHBondContact O-N 3.35Å; E444-E447 VanDerWaalsContact O-N 3.11Å; N445-E447 VanDerWaalsContact C-N 3.31Å; N445-E447 PolarHBondContact O-N 2.88Å; E447-R450 WeakPolarHBondContact O-CB 3.45Å; E447-R450 PolarHBondContact O-N 3.04Å; E447-K451 WeakPolarHBondContact O-CG 3.46Å; E447-K451 PolarHBondContact O-N 3.31Å; E447-K451 WeakPolarHBondContact OE1-CE 3.3Å; E447-K451 IonicContact OE1-NZ 3.68Å; E447-K451 PolarHBondContact OE1-NZ 3.02Å
448	L	77.2	Confident	72.8	Confident	90 Å²	90	119.3 Å²	119.3	47%	0.471	61%	0.609	S	S	.	*	H	α-helix	trans	-61.5	-44	173	-73	178	0	0	0	111.6	E444 N445 R450 K451 L452	E444-L448 PolarHBondContact O-N 2.76Å; N445-L448 PolarHBondContact O-N 2.95Å; L448-R450 VanDerWaalsContact C-N 3.29Å; L448-R450 PolarHBondContact O-N 3.4Å; L448-K451 PolarHBondContact O-N 3.44Å; L448-L452 PolarHBondContact O-N 3.37Å
449	I	74.7	Confident	70.1	Confident	109 Å²	109	118.4 Å²	118.4	56%	0.559	61%	0.612	S	S	*	*	H	α-helix	trans	-59.9	-41.7	174.5	-67.3	166	0	0	0	110.6	N445 L452 A453	N445-I449 VanDerWaalsContact O-CG1 3.25Å; N445-I449 WeakPolarHBondContact O-CG1 3.3Å; N445-I449 PolarHBondContact O-N 3Å; I449-L452 PolarHBondContact O-N 3.46Å; I449-A453 PolarHBondContact O-N 3.2Å
450	R	73.9	Confident	67.2	Low	164 Å²	164	120 Å²	120	62%	0.619	62%	0.623	S	S	*	*	H	α-helix	trans	-66	-40	176.7	-161.7	-171.7	-52.8	135.9	7.1	112.6	T446 E447 L448 L452 A453 G454	T446-R450 WeakPolarHBondContact O-CB 3.43Å; T446-R450 PolarHBondContact O-N 3.18Å; E447-R450 WeakPolarHBondContact O-CB 3.45Å; E447-R450 PolarHBondContact O-N 3.04Å; L448-R450 VanDerWaalsContact C-N 3.29Å; L448-R450 PolarHBondContact O-N 3.4Å; R450-L452 VanDerWaalsContact C-N 3.33Å; R450-A453 PolarHBondContact O-N 3.38Å; R450-G454 PolarHBondContact O-N 2.92Å
451	K	76.8	Confident	64.3	Low	123 Å²	123	121.5 Å²	121.5	54%	0.535	63%	0.632	S	S	.	*	H	α-helix	trans	-65	-36.5	175.2	-76.1	173.2	-177.3	163.3	0	111.9	E447 L448 G454	E447-K451 WeakPolarHBondContact O-CG 3.46Å; E447-K451 PolarHBondContact O-N 3.31Å; E447-K451 WeakPolarHBondContact OE1-CE 3.3Å; E447-K451 IonicContact OE1-NZ 3.68Å; E447-K451 PolarHBondContact OE1-NZ 3.02Å; L448-K451 PolarHBondContact O-N 3.44Å; K451-G454 PolarHBondContact O-N 3.41Å
452	L	63.4	Low	61.3	Low	153 Å²	153	121.3 Å²	121.3	80%	0.801	64%	0.639	S	S	*	*	H	α-helix	trans	-66.9	-40.8	173.9	-120.6	111	0	0	0	111.6	L448 I449 R450 G454	L448-L452 PolarHBondContact O-N 3.37Å; I449-L452 PolarHBondContact O-N 3.46Å; R450-L452 VanDerWaalsContact C-N 3.33Å; L452-G454 VanDerWaalsContact C-N 3.32Å; L452-G454 PolarHBondContact O-N 2.92Å
453	A	60.3	Low	58.4	Low	87 Å²	87	120.1 Å²	120.1	72%	0.719	64%	0.639	S	S	*	*	H	α-helix	trans	-70.6	-26.2	177.5	0	0	0	0	0	113.4	I449 R450	I449-A453 PolarHBondContact O-N 3.2Å; R450-A453 PolarHBondContact O-N 3.38Å
454	G	49.8	Very low	55.5	Low	56 Å²	56	122.2 Å²	122.2	58%	0.577	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	6.3	-171.6	0	0	0	0	0	117.3	R450 K451 L452 P456	R450-G454 PolarHBondContact O-N 2.92Å; K451-G454 PolarHBondContact O-N 3.41Å; L452-G454 VanDerWaalsContact C-N 3.32Å; L452-G454 PolarHBondContact O-N 2.92Å; G454-P456 WeakPolarHBondContact O-CD 3.35Å
455	K	41.5	Very low	52.8	Low	190 Å²	190	123.5 Å²	123.5	83%	0.826	66%	0.659	S	S	*	*			trans	-109.9	91.9	-177.3	-101.6	-177.4	176.6	177.6	0	113.4
456	P	39.7	Very low	50.5	Low	117 Å²	117	125.4 Å²	125.4	76%	0.76	67%	0.669	S	S	*	*			trans	-113.7	98.1	146.2	33.1	-19	0	0	0	107.1	G454	G454-P456 WeakPolarHBondContact O-CD 3.35Å
457	N	35.3	Very low	48.4	Very low	133 Å²	133	128 Å²	128	71%	0.711	68%	0.677	S	S	*	*			trans	-135.4	109.3	167	-158.4	10.3	0	0	0	111.8	N459	N457-N459 PolarHBondContact O-N 3.16Å
458	I	38.7	Very low	46.4	Very low	143 Å²	143	133.7 Å²	133.7	73%	0.733	70%	0.7	S	S	*	*			trans	-73.4	102.6	173	-66.1	155.5	0	0	0	106.4
459	N	35.7	Very low	44.6	Very low	140 Å²	140	132.7 Å²	132.7	75%	0.749	70%	0.701	S	S	*	*			trans	-98.9	104.5	168.2	-85.6	-6.3	0	0	0	109.6	N457 Q461	N457-N459 PolarHBondContact O-N 3.16Å; N459-Q461 PolarHBondContact O-N 3.39Å
460	N	32.5	Very low	43.1	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	70%	0.704	S	S	*	*			trans	-55.1	120.1	164.2	-64	-49.7	0	0	0	110.3
461	Q	35.4	Very low	41.5	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	72%	0.719	S	S	*	*			trans	-129.5	102.7	156.7	-102.6	178.2	-15.2	0	0	109.9	N459 L463	N459-Q461 PolarHBondContact O-N 3.39Å; Q461-L463 PolarHBondContact O-N 3.21Å
462	S	28	Very low	39.8	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	73%	0.727	S	S	*	*			trans	-57.6	118.9	164	156.9	0	0	0	0	109.9
463	L	31.4	Very low	38.8	Very low	130 Å²	130	131.6 Å²	131.6	68%	0.681	72%	0.715	S	S	*	*			trans	-129.1	115	158.2	-138.2	88	0	0	0	109.4	Q461 I465	Q461-L463 PolarHBondContact O-N 3.21Å; L463-I465 HydrophobicContact CD2-CD1 4.2Å; L463-I465 HydrophobicContact CD2-CG1 4.27Å
464	L	31.3	Very low	37.8	Very low	156 Å²	156	134.9 Å²	134.9	82%	0.817	72%	0.719	S	S	*	*			trans	-77.7	118.2	171.4	-74.3	156.5	0	0	0	108
465	I	36.9	Very low	37	Very low	133 Å²	133	138.1 Å²	138.1	68%	0.682	72%	0.723	S	S	*	*			trans	-120.6	123.7	168.7	-60	178.6	0	0	0	108.7	L463	L463-I465 HydrophobicContact CD2-CD1 4.2Å; L463-I465 HydrophobicContact CD2-CG1 4.27Å
466	N	32.3	Very low	36.8	Very low	137 Å²	137	135.8 Å²	135.8	73%	0.733	72%	0.72	S	S	*	*			trans	-79.9	145.6	-170.4	-172.1	8.9	0	0	0	112.1	K468	N466-K468 VanDerWaalsContact C-N 3.33Å; N466-K468 PolarHBondContact O-N 3.38Å
467	E	37.8	Very low	36.8	Very low	117 Å²	117	138.8 Å²	138.8	55%	0.547	72%	0.723	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	24.4	-154.4	-65.7	-168	121.9	0	0	117.6	N499 K503	E467-N499 PolarHBondContact OE1-ND2 2.98Å; E467-K503 IonicContact OE1-NZ 3.74Å; E467-K503 PolarHBondContact OE1-NZ 2.93Å
468	K	41.5	Very low	37.2	Very low	204 Å²	204	139.1 Å²	139.1	89%	0.887	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	0.2	-175.7	-75	-171.8	178	-179.8	0	116.8	N466	N466-K468 VanDerWaalsContact C-N 3.33Å; N466-K468 PolarHBondContact O-N 3.38Å
469	S	40.4	Very low	37.5	Very low	69 Å²	69	141.3 Å²	141.3	48%	0.483	73%	0.732	S	S	.	*	S	Bend	trans	-104.1	-4.5	179.5	50.6	0	0	0	0	115.7	K471 S472	S469-K471 VanDerWaalsContact C-N 3.26Å; S469-K471 PolarHBondContact O-N 3.3Å; S469-K471 VanDerWaalsContact O-N 3.15Å; S469-S472 PolarHBondContact O-N 2.99Å
470	V	42.7	Very low	38.5	Very low	103 Å²	103	137.3 Å²	137.3	62%	0.624	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-66.4	-23	-171.1	-178.6	0	0	0	0	113.7
471	K	40.7	Very low	39.7	Very low	213 Å²	213	134.8 Å²	134.8	93%	0.926	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-84.2	-6.3	-179.5	-83.9	-175.2	176.3	-179.1	0	115.5	S469	S469-K471 VanDerWaalsContact C-N 3.26Å; S469-K471 PolarHBondContact O-N 3.3Å; S469-K471 VanDerWaalsContact O-N 3.15Å
472	S	41.4	Very low	41.2	Very low	100 Å²	100	133.7 Å²	133.7	70%	0.699	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-102.4	1	177.5	-63.6	0	0	0	0	114.6	S469 I474	S469-S472 PolarHBondContact O-N 2.99Å; S472-I474 VanDerWaalsContact C-N 3.35Å; S472-I474 PolarHBondContact O-N 3.42Å
473	I	41.8	Very low	43.3	Very low	110 Å²	110	133.3 Å²	133.3	56%	0.564	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-13.8	-172.5	-60.2	174.1	0	0	0	113.1
474	I	40	Very low	45.3	Very low	155 Å²	155	131.8 Å²	131.8	80%	0.795	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-15	-174.8	-62.5	176.7	0	0	0	113	S472	S472-I474 VanDerWaalsContact C-N 3.35Å; S472-I474 PolarHBondContact O-N 3.42Å
475	N	32.4	Very low	47.5	Very low	124 Å²	124	127.2 Å²	127.2	66%	0.663	65%	0.646	S	S	*	*	S	Bend	trans	-126.3	91.1	-174.2	-65.5	-11.4	0	0	0	109.7
476	N	37.7	Very low	49.6	Very low	141 Å²	141	126.9 Å²	126.9	75%	0.754	64%	0.642	S	S	*	*			trans	175.1	117.2	132.3	-82.3	-25.3	0	0	0	109.9	N478	N476-N478 PolarHBondContact O-N 2.96Å; N476-N478 VanDerWaalsContact O-N 3.15Å
477	H	38.5	Very low	52	Low	181 Å²	181	125 Å²	125	84%	0.838	63%	0.631	S	S	*	*			trans	-41.9	116.6	153.8	-96.1	-14.1	0	0	0	109.6
478	N	43.6	Very low	54.4	Low	140 Å²	140	121.2 Å²	121.2	75%	0.749	61%	0.613	S	S	*	*	S	Bend	trans	162.7	112.8	133	-77.2	-26.8	0	0	0	111.1	N476 N480	N476-N478 PolarHBondContact O-N 2.96Å; N476-N478 VanDerWaalsContact O-N 3.15Å; N478-N480 PolarHBondContact O-OD1 3.27Å
479	H	44.7	Very low	56.4	Low	189 Å²	189	116.1 Å²	116.1	88%	0.875	60%	0.595	S	S	*	*			trans	64.1	77.6	163.7	-92.8	-59.3	0	0	0	118.2
480	N	56.7	Low	58.5	Low	56 Å²	56	118 Å²	118	30%	0.299	59%	0.593	S	S	.	*			trans	-102.8	11.9	-165.9	-72.5	13.5	0	0	0	116.7	N478 K482 E483 D484	N478-N480 PolarHBondContact O-OD1 3.27Å; N480-K482 PolarHBondContact O-N 2.73Å; N480-E483 HydrophobicContact CB-CB 4.01Å; N480-E483 HydrophobicContact CB-CG 4.27Å; N480-E483 PolarHBondContact ND2-OE2 3.35Å; N480-E483 WeakPolarHBondContact O-CA 3.44Å; N480-E483 PolarHBondContact O-N 3.38Å; N480-E483 PolarHBondContact OD1-OE2 2.9Å; N480-D484 PolarHBondContact O-N 3.26Å
481	D	58.6	Low	60.4	Low	94 Å²	94	115.8 Å²	115.8	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-49.7	-40	176.3	-88	22.2	0	0	0	111.6	D485 K537	D481-D485 WeakPolarHBondContact O-CB 3.41Å; D481-D485 VanDerWaalsContact O-CG 3.3Å; D481-D485 PolarHBondContact O-N 2.85Å; D481-K537 IonicContact OD2-NZ 2.7Å; D481-K537 PolarHBondContact OD2-NZ 2.93Å
482	K	67.6	Low	62.5	Low	164 Å²	164	106.9 Å²	106.9	71%	0.713	54%	0.541	S	S	*	.	H	α-helix	trans	-72.7	-29.5	176.5	-67.8	-175.2	-179.4	177.3	0	113.7	N480 Q486	N480-K482 PolarHBondContact O-N 2.73Å; K482-Q486 WeakPolarHBondContact O-CB 3.27Å; K482-Q486 WeakPolarHBondContact O-CG 3.48Å; K482-Q486 PolarHBondContact O-N 2.94Å; K482-Q486 VanDerWaalsContact O-N 3.1Å; K482-Q486 PolarHBondContact O-NE2 3.44Å
483	E	71.1	Confident	64.6	Low	83 Å²	83	104.7 Å²	104.7	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-76.4	-41.1	179.2	-60.5	-167.4	161.7	0	0	110.6	N480 D485 Q486 L487	N480-E483 HydrophobicContact CB-CB 4.01Å; N480-E483 HydrophobicContact CB-CG 4.27Å; N480-E483 PolarHBondContact ND2-OE2 3.35Å; N480-E483 WeakPolarHBondContact O-CA 3.44Å; N480-E483 PolarHBondContact O-N 3.38Å; N480-E483 PolarHBondContact OD1-OE2 2.9Å; E483-D485 VanDerWaalsContact C-N 3.34Å; E483-D485 PolarHBondContact O-N 2.88Å; E483-Q486 WeakPolarHBondContact O-CB 3.32Å; E483-Q486 PolarHBondContact O-N 3.32Å; E483-L487 WeakPolarHBondContact O-CB 3.48Å; E483-L487 PolarHBondContact O-N 3.02Å
484	D	73.3	Confident	66.4	Low	98 Å²	98	104 Å²	104	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-42.9	175.9	-68.5	-17.6	0	0	0	110.6	N480 L487 F488	N480-D484 PolarHBondContact O-N 3.26Å; D484-L487 PolarHBondContact O-N 3.42Å; D484-F488 WeakPolarHBondContact O-CB 3.39Å; D484-F488 PolarHBondContact O-N 2.98Å
485	D	77.7	Confident	68.3	Low	61 Å²	61	99.1 Å²	99.1	33%	0.326	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-38.4	174.1	-74.7	-19.4	0	0	0	112.1	D481 E483 N489 H530	D481-D485 WeakPolarHBondContact O-CB 3.41Å; D481-D485 VanDerWaalsContact O-CG 3.3Å; D481-D485 PolarHBondContact O-N 2.85Å; E483-D485 VanDerWaalsContact C-N 3.34Å; E483-D485 PolarHBondContact O-N 2.88Å; D485-N489 WeakPolarHBondContact O-CB 3.4Å; D485-N489 VanDerWaalsContact O-CG 3.27Å; D485-N489 PolarHBondContact O-N 3.31Å; D485-N489 PolarHBondContact O-ND2 2.92Å; D485-H530 IonicContact OD1-CE1 2.88Å
486	Q	80.5	Confident	70.9	Confident	126 Å²	126	96.3 Å²	96.3	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-65.9	-42.5	175.2	-80.5	169.3	61.3	0	0	111.8	K482 E483 N489 Y490	K482-Q486 WeakPolarHBondContact O-CB 3.27Å; K482-Q486 WeakPolarHBondContact O-CG 3.48Å; K482-Q486 PolarHBondContact O-N 2.94Å; K482-Q486 VanDerWaalsContact O-N 3.1Å; K482-Q486 PolarHBondContact O-NE2 3.44Å; E483-Q486 WeakPolarHBondContact O-CB 3.32Å; E483-Q486 PolarHBondContact O-N 3.32Å; Q486-N489 PolarHBondContact O-N 3.21Å; Q486-Y490 WeakPolarHBondContact O-CB 3.36Å; Q486-Y490 PolarHBondContact O-N 2.93Å
487	L	84.2	Confident	73	Confident	98 Å²	98	90 Å²	90	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-65.8	-44.6	178	-179.4	62.5	0	0	0	111.2	E483 D484 N489 Y490 L491	E483-L487 WeakPolarHBondContact O-CB 3.48Å; E483-L487 PolarHBondContact O-N 3.02Å; D484-L487 PolarHBondContact O-N 3.42Å; L487-N489 VanDerWaalsContact C-N 3.34Å; L487-N489 PolarHBondContact O-N 3.03Å; L487-Y490 PolarHBondContact O-N 3.19Å; L487-L491 HydrophobicContact CD1-CD1 4.12Å; L487-L491 HydrophobicContact CD1-CG 4.24Å; L487-L491 HydrophobicContact CG-CD1 4.05Å; L487-L491 WeakPolarHBondContact O-CG 3.49Å; L487-L491 PolarHBondContact O-N 2.98Å
488	F	87.3	Confident	75.1	Confident	36 Å²	36	87.7 Å²	87.7	16%	0.158	43%	0.425	C	S	.	.	H	α-helix	trans	-57.1	-48.1	174.3	172.6	-100.2	0	0	0	111.2	D484 Y490 L491 T492 I527 H530	D484-F488 WeakPolarHBondContact O-CB 3.39Å; D484-F488 PolarHBondContact O-N 2.98Å; F488-Y490 VanDerWaalsContact C-N 3.33Å; F488-Y490 PolarHBondContact O-N 3.34Å; F488-L491 PolarHBondContact O-N 2.93Å; F488-T492 HydrophobicContact CD2-CG2 3.94Å; F488-T492 HydrophobicContact CE1-CG2 4.28Å; F488-T492 HydrophobicContact CE2-CG2 3.49Å; F488-T492 VanDerWaalsContact CE2-CG2 3.49Å; F488-T492 HydrophobicContact CG-CG2 4.5Å; F488-T492 HydrophobicContact CZ-CG2 3.69Å; F488-T492 WeakPolarHBondContact O-CB 3.27Å; F488-T492 WeakPolarHBondContact O-CG2 3.38Å; F488-T492 PolarHBondContact O-N 3.24Å; F488-T492 PolarHBondContact O-OG1 2.99Å; F488-I527 HydrophobicContact CE2-CG1 4.45Å; F488-I527 HydrophobicContact CZ-CG1 4.03Å; F488-H530 AromaticContact CD1-CD2 3.72Å; F488-H530 AromaticContact CD1-CE1 3.77Å; F488-H530 AromaticContact CD1-CG 3.89Å; F488-H530 AromaticContact CD1-ND1 3.92Å; F488-H530 AromaticContact CD1-NE2 3.65Å; F488-H530 HydrophobicContact CD2-CB 3.78Å; F488-H530 AromaticContact CD2-CG 3.71Å; F488-H530 AromaticContact CD2-ND1 3.81Å; F488-H530 HydrophobicContact CE1-CB 4.22Å; F488-H530 AromaticContact CE1-CD2 3.25Å; F488-H530 WeakPolarHBondContact CE1-CD2 3.44Å; F488-H530 AromaticContact CE1-CG 3.64Å; F488-H530 AromaticContact CE1-NE2 3.6Å; F488-H530 HydrophobicContact CE2-CB 3.2Å; F488-H530 AromaticContact CE2-CD2 3.93Å; F488-H530 AromaticContact CE2-CG 3.44Å; F488-H530 VanDerWaalsContact CE2-CG 3.44Å; F488-H530 HydrophobicContact CG-CB 4.49Å; F488-H530 AromaticContact CG-CE1 3.96Å; F488-H530 AromaticContact CG-CG 3.92Å; F488-H530 AromaticContact CG-ND1 3.75Å; F488-H530 HydrophobicContact CZ-CB 3.46Å; F488-H530 VanDerWaalsContact CZ-CB 3.46Å; F488-H530 AromaticContact CZ-CD2 3.37Å; F488-H530 WeakPolarHBondContact CZ-CD2 3.31Å; F488-H530 AromaticContact CZ-CG 3.4Å; F488-H530 VanDerWaalsContact CZ-CG 3.4Å
489	N	83.3	Confident	77	Confident	97 Å²	97	82.7 Å²	82.7	52%	0.519	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-38.9	177.2	-76.4	-45.9	0	0	0	112.1	D485 Q486 L487 T492 N493	D485-N489 WeakPolarHBondContact O-CB 3.4Å; D485-N489 VanDerWaalsContact O-CG 3.27Å; D485-N489 PolarHBondContact O-N 3.31Å; D485-N489 PolarHBondContact O-ND2 2.92Å; Q486-N489 PolarHBondContact O-N 3.21Å; L487-N489 VanDerWaalsContact C-N 3.34Å; L487-N489 PolarHBondContact O-N 3.03Å; N489-T492 PolarHBondContact O-OG1 2.75Å; N489-N493 WeakPolarHBondContact O-CB 3.3Å; N489-N493 PolarHBondContact O-N 2.94Å; N489-N493 VanDerWaalsContact O-N 3.11Å
490	Y	84.4	Confident	78.8	Confident	108 Å²	108	76 Å²	76	42%	0.424	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-45.7	176.5	177.2	-100.2	0	0	0	112.5	Q486 L487 F488 Y496	Q486-Y490 WeakPolarHBondContact O-CB 3.36Å; Q486-Y490 PolarHBondContact O-N 2.93Å; L487-Y490 PolarHBondContact O-N 3.19Å; F488-Y490 VanDerWaalsContact C-N 3.33Å; F488-Y490 PolarHBondContact O-N 3.34Å; Y490-Y496 HydrophobicContact CD1-CD2 4.22Å; Y490-Y496 AromaticContact CE1-CD2 3.62Å; Y490-Y496 HydrophobicContact CE1-CD2 3.62Å; Y490-Y496 AromaticContact CE1-CE2 3.88Å; Y490-Y496 HydrophobicContact CE1-CE2 3.88Å
491	L	83.3	Confident	80	Confident	57 Å²	57	76.2 Å²	76.2	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-71.7	-33.5	-177.4	-69.8	173.3	0	0	0	113.1	L487 F488 Y496 Q523	L487-L491 HydrophobicContact CD1-CD1 4.12Å; L487-L491 HydrophobicContact CD1-CG 4.24Å; L487-L491 HydrophobicContact CG-CD1 4.05Å; L487-L491 WeakPolarHBondContact O-CG 3.49Å; L487-L491 PolarHBondContact O-N 2.98Å; F488-L491 PolarHBondContact O-N 2.93Å; L491-Y496 HydrophobicContact CD2-CD2 4.32Å; L491-Y496 HydrophobicContact CD2-CE2 3.92Å; L491-Q523 PolarHBondContact O-NE2 3.43Å
492	T	85.1	Confident	81.1	Confident	27 Å²	27	75.6 Å²	75.6	17%	0.166	37%	0.371	C	S	.	.	H	α-helix	trans	-84.6	-18.8	179.9	54.7	0	0	0	0	113.5	F488 N489 I527	F488-T492 HydrophobicContact CD2-CG2 3.94Å; F488-T492 HydrophobicContact CE1-CG2 4.28Å; F488-T492 HydrophobicContact CE2-CG2 3.49Å; F488-T492 VanDerWaalsContact CE2-CG2 3.49Å; F488-T492 HydrophobicContact CG-CG2 4.5Å; F488-T492 HydrophobicContact CZ-CG2 3.69Å; F488-T492 WeakPolarHBondContact O-CB 3.27Å; F488-T492 WeakPolarHBondContact O-CG2 3.38Å; F488-T492 PolarHBondContact O-N 3.24Å; F488-T492 PolarHBondContact O-OG1 2.99Å; N489-T492 PolarHBondContact O-OG1 2.75Å; T492-I527 HydrophobicContact CG2-CD1 4.25Å; T492-I527 HydrophobicContact CG2-CG1 3.67Å
493	N	84.2	Confident	81.7	Confident	53 Å²	53	73.9 Å²	73.9	28%	0.283	36%	0.363	S	S	.	.	S	Bend	trans	-65.6	135.5	177.7	-168.5	-34.2	0	0	0	111.5	N489 N495 Y496	N489-N493 WeakPolarHBondContact O-CB 3.3Å; N489-N493 PolarHBondContact O-N 2.94Å; N489-N493 VanDerWaalsContact O-N 3.11Å; N493-N495 PolarHBondContact O-N 2.88Å; N493-N495 VanDerWaalsContact O-N 3.08Å; N493-N495 WeakPolarHBondContact OD1-CB 3.48Å; N493-N495 PolarHBondContact OD1-N 3.31Å; N493-N495 PolarHBondContact OD1-ND2 2.86Å; N493-Y496 WeakPolarHBondContact O-CB 3.49Å; N493-Y496 PolarHBondContact O-N 2.85Å
494	E	79.4	Confident	82	Confident	96 Å²	96	72.1 Å²	72.1	45%	0.449	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.4	174	-77.6	-74.9	156.1	0	0	113.2	Y496 I497 K520	E494-Y496 PolarHBondContact O-N 3.35Å; E494-I497 PolarHBondContact O-N 3.27Å; E494-K520 IonicContact OE1-NZ 2.71Å; E494-K520 PolarHBondContact OE1-NZ 3.24Å; E494-K520 IonicContact OE2-NZ 2.83Å; E494-K520 PolarHBondContact OE2-NZ 3.48Å
495	N	81	Confident	82	Confident	52 Å²	52	72.3 Å²	72.3	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-66	-21	173.3	-69.3	-24.2	0	0	0	113.2	N493 I497 K498 N499	N493-N495 PolarHBondContact O-N 2.88Å; N493-N495 VanDerWaalsContact O-N 3.08Å; N493-N495 WeakPolarHBondContact OD1-CB 3.48Å; N493-N495 PolarHBondContact OD1-N 3.31Å; N493-N495 PolarHBondContact OD1-ND2 2.86Å; N495-I497 PolarHBondContact O-N 2.87Å; N495-K498 PolarHBondContact O-N 3.46Å; N495-N499 WeakPolarHBondContact O-CB 3.36Å; N495-N499 PolarHBondContact O-N 3.41Å
496	Y	85.8	Confident	82	Confident	66 Å²	66	75.2 Å²	75.2	26%	0.259	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-46.4	175.7	179.3	-104.3	0	0	0	111.7	Y490 L491 N493 E494 K498 N499 L500 I519	Y490-Y496 HydrophobicContact CD1-CD2 4.22Å; Y490-Y496 AromaticContact CE1-CD2 3.62Å; Y490-Y496 HydrophobicContact CE1-CD2 3.62Å; Y490-Y496 AromaticContact CE1-CE2 3.88Å; Y490-Y496 HydrophobicContact CE1-CE2 3.88Å; L491-Y496 HydrophobicContact CD2-CD2 4.32Å; L491-Y496 HydrophobicContact CD2-CE2 3.92Å; N493-Y496 WeakPolarHBondContact O-CB 3.49Å; N493-Y496 PolarHBondContact O-N 2.85Å; E494-Y496 PolarHBondContact O-N 3.35Å; Y496-K498 VanDerWaalsContact C-N 3.31Å; Y496-K498 PolarHBondContact O-N 2.92Å; Y496-N499 PolarHBondContact O-N 3.48Å; Y496-L500 WeakPolarHBondContact O-CB 3.45Å; Y496-L500 PolarHBondContact O-N 3.29Å; Y496-I519 HydrophobicContact CD1-CG2 4.15Å; Y496-I519 HydrophobicContact CE1-CD1 4.37Å; Y496-I519 HydrophobicContact CE1-CG2 4.31Å
497	I	83.2	Confident	82	Confident	8 Å²	8	72.7 Å²	72.7	4%	0.041	38%	0.384	C	S	.	.	H	α-helix	trans	-64.3	-39.7	178.4	-62.2	164.7	0	0	0	109.9	E494 N495 L500 F501 T516 I519 K520	E494-I497 PolarHBondContact O-N 3.27Å; N495-I497 PolarHBondContact O-N 2.87Å; I497-L500 PolarHBondContact O-N 2.9Å; I497-F501 HydrophobicContact CG2-CD1 4.37Å; I497-F501 HydrophobicContact CG2-CD2 4.07Å; I497-F501 HydrophobicContact CG2-CE1 3.94Å; I497-F501 HydrophobicContact CG2-CE2 3.64Å; I497-F501 HydrophobicContact CG2-CG 4.46Å; I497-F501 HydrophobicContact CG2-CZ 3.63Å; I497-F501 WeakPolarHBondContact O-CB 3.36Å; I497-F501 WeakPolarHBondContact O-CD1 3.32Å; I497-F501 WeakPolarHBondContact O-CG 3.48Å; I497-F501 PolarHBondContact O-N 3.3Å; I497-T516 HydrophobicContact CD1-CG2 4.3Å; I497-T516 HydrophobicContact CG2-CG2 4.34Å; I497-I519 HydrophobicContact CD1-CG2 4.01Å; I497-I519 HydrophobicContact CG1-CB 4.41Å; I497-I519 HydrophobicContact CG1-CG2 3.71Å; I497-K520 HydrophobicContact CD1-CG 3.85Å
498	K	82	Confident	82.1	Confident	133 Å²	133	71 Å²	71	58%	0.578	38%	0.38	S	S	*	.	H	α-helix	trans	-63.8	-43.5	176.4	-62.9	179.7	-173.9	166.9	0	112.3	N495 Y496 L500 F501 S502	N495-K498 PolarHBondContact O-N 3.46Å; Y496-K498 VanDerWaalsContact C-N 3.31Å; Y496-K498 PolarHBondContact O-N 2.92Å; K498-L500 VanDerWaalsContact C-N 3.35Å; K498-F501 PolarHBondContact O-N 3.45Å; K498-S502 PolarHBondContact O-N 3.42Å
499	N	82.8	Confident	81.8	Confident	35 Å²	35	75 Å²	75	19%	0.187	40%	0.402	C	S	.	.	H	α-helix	trans	-66.5	-38.6	176.6	-168.9	-28.6	0	0	0	111	E467 N495 Y496 F501 S502 K503	E467-N499 PolarHBondContact OE1-ND2 2.98Å; N495-N499 WeakPolarHBondContact O-CB 3.36Å; N495-N499 PolarHBondContact O-N 3.41Å; Y496-N499 PolarHBondContact O-N 3.48Å; N499-F501 VanDerWaalsContact C-N 3.28Å; N499-F501 PolarHBondContact O-N 2.89Å; N499-S502 WeakPolarHBondContact CA-OG 3.19Å; N499-S502 PolarHBondContact O-N 2.92Å; N499-S502 PolarHBondContact O-OG 3.43Å; N499-K503 PolarHBondContact O-N 2.99Å; N499-K503 VanDerWaalsContact O-N 3.08Å; N499-K503 WeakPolarHBondContact OD1-CD 3.28Å; N499-K503 VanDerWaalsContact OD1-CE 3.26Å; N499-K503 WeakPolarHBondContact OD1-CE 3.39Å; N499-K503 PolarHBondContact OD1-NZ 2.88Å
500	L	83.6	Confident	81.8	Confident	49 Å²	49	74.4 Å²	74.4	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-39.5	173.1	-173.3	64.6	0	0	0	111.4	Y496 I497 K498 K503 C504 I515 I519	Y496-L500 WeakPolarHBondContact O-CB 3.45Å; Y496-L500 PolarHBondContact O-N 3.29Å; I497-L500 PolarHBondContact O-N 2.9Å; K498-L500 VanDerWaalsContact C-N 3.35Å; L500-K503 PolarHBondContact O-N 2.85Å; L500-C504 VanDerWaalsContact O-CB 3.3Å; L500-C504 WeakPolarHBondContact O-CB 3.45Å; L500-C504 PolarHBondContact O-N 2.95Å; L500-C504 PolarHBondContact O-SG 3.18Å; L500-I515 HydrophobicContact CD2-CG2 4.25Å; L500-I519 HydrophobicContact CD2-CD1 3.42Å; L500-I519 VanDerWaalsContact CD2-CD1 3.42Å
501	F	82.2	Confident	81.9	Confident	59 Å²	59	71.5 Å²	71.5	26%	0.259	40%	0.402	S	S	.	.	H	α-helix	trans	-70.7	-35.3	177.9	-68.9	-8.5	0	0	0	113.8	I497 K498 N499 K503 C504 M512 T516	I497-F501 HydrophobicContact CG2-CD1 4.37Å; I497-F501 HydrophobicContact CG2-CD2 4.07Å; I497-F501 HydrophobicContact CG2-CE1 3.94Å; I497-F501 HydrophobicContact CG2-CE2 3.64Å; I497-F501 HydrophobicContact CG2-CG 4.46Å; I497-F501 HydrophobicContact CG2-CZ 3.63Å; I497-F501 WeakPolarHBondContact O-CB 3.36Å; I497-F501 WeakPolarHBondContact O-CD1 3.32Å; I497-F501 WeakPolarHBondContact O-CG 3.48Å; I497-F501 PolarHBondContact O-N 3.3Å; K498-F501 PolarHBondContact O-N 3.45Å; N499-F501 VanDerWaalsContact C-N 3.28Å; N499-F501 PolarHBondContact O-N 2.89Å; F501-K503 VanDerWaalsContact C-N 3.28Å; F501-K503 PolarHBondContact O-N 3.49Å; F501-C504 PolarHBondContact O-N 3.31Å; F501-M512 HydrophobicContact CB-CE 4.43Å; F501-M512 HydrophobicContact CD1-CE 4.01Å; F501-M512 HydrophobicContact CD1-CG 3.76Å; F501-M512 HydrophobicContact CD1-SD 3.91Å; F501-M512 HydrophobicContact CD2-CG 4.4Å; F501-M512 HydrophobicContact CD2-SD 3.91Å; F501-M512 HydrophobicContact CE1-CB 4.44Å; F501-M512 HydrophobicContact CE1-CE 4.36Å; F501-M512 HydrophobicContact CE1-CG 3.14Å; F501-M512 HydrophobicContact CE1-SD 3.83Å; F501-M512 HydrophobicContact CE2-CG 3.84Å; F501-M512 HydrophobicContact CE2-SD 3.8Å; F501-M512 HydrophobicContact CG-CE 4.17Å; F501-M512 HydrophobicContact CG-CG 4.33Å; F501-M512 HydrophobicContact CG-SD 3.91Å; F501-M512 HydrophobicContact CZ-CB 4.46Å; F501-M512 HydrophobicContact CZ-CG 3.1Å; F501-M512 HydrophobicContact CZ-SD 3.69Å; F501-T516 WeakPolarHBondContact CZ-OG1 3.38Å
502	S	80.8	Confident	81.9	Confident	82 Å²	82	70.4 Å²	70.4	57%	0.573	40%	0.395	S	S	*	.	H	α-helix	trans	-66.7	-32	172.7	62.2	0	0	0	0	111.9	K498 N499 S505	K498-S502 PolarHBondContact O-N 3.42Å; N499-S502 WeakPolarHBondContact CA-OG 3.19Å; N499-S502 PolarHBondContact O-N 2.92Å; N499-S502 PolarHBondContact O-OG 3.43Å; S502-S505 PolarHBondContact O-OG 2.98Å
503	K	81.4	Confident	82	Confident	127 Å²	127	75.9 Å²	75.9	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-78.2	-29.2	175.7	-75.7	170.6	174.8	143.8	0	113.7	E467 N499 L500 F501	E467-K503 IonicContact OE1-NZ 3.74Å; E467-K503 PolarHBondContact OE1-NZ 2.93Å; N499-K503 PolarHBondContact O-N 2.99Å; N499-K503 VanDerWaalsContact O-N 3.08Å; N499-K503 WeakPolarHBondContact OD1-CD 3.28Å; N499-K503 VanDerWaalsContact OD1-CE 3.26Å; N499-K503 WeakPolarHBondContact OD1-CE 3.39Å; N499-K503 PolarHBondContact OD1-NZ 2.88Å; L500-K503 PolarHBondContact O-N 2.85Å; F501-K503 VanDerWaalsContact C-N 3.28Å; F501-K503 PolarHBondContact O-N 3.49Å
504	C	76.9	Confident	82.3	Confident	47 Å²	47	78 Å²	78	32%	0.318	43%	0.427	S	S	.	.			trans	-112.2	42	-172.4	-63.5	0	0	0	0	113.7	L500 F501 S506 L507	L500-C504 VanDerWaalsContact O-CB 3.3Å; L500-C504 WeakPolarHBondContact O-CB 3.45Å; L500-C504 PolarHBondContact O-N 2.95Å; L500-C504 PolarHBondContact O-SG 3.18Å; F501-C504 PolarHBondContact O-N 3.31Å; C504-S506 PolarHBondContact O-N 3.44Å; C504-L507 PolarHBondContact O-N 3.23Å
505	S	73	Confident	82.6	Confident	101 Å²	101	76.5 Å²	76.5	71%	0.706	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.3	-177	-50.8	0	0	0	0	115.2	S502	S502-S505 PolarHBondContact O-OG 2.98Å
506	S	78.6	Confident	83	Confident	123 Å²	123	75.4 Å²	75.4	86%	0.86	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.6	177.7	61.6	0	0	0	0	114.5	C504	C504-S506 PolarHBondContact O-N 3.44Å
507	L	80.1	Confident	83.2	Confident	73 Å²	73	78.7 Å²	78.7	38%	0.382	43%	0.432	S	S	.	.	S	Bend	trans	-82.2	142.2	-174.5	-140.7	77.4	0	0	0	112.1	C504 I515	C504-L507 PolarHBondContact O-N 3.23Å; L507-I515 HydrophobicContact CD2-CD1 3.36Å
508	S	84.9	Confident	83.6	Confident	63 Å²	63	84.5 Å²	84.5	44%	0.441	46%	0.455	S	S	.	.			trans	-61.1	146.4	176.6	87	0	0	0	0	111.9	S510 S511 M512	S508-S510 PolarHBondContact O-N 3.48Å; S508-S511 PolarHBondContact O-N 3.24Å; S508-S511 VanDerWaalsContact O-N 3.15Å; S508-S511 WeakPolarHBondContact OG-CB 3.48Å; S508-S511 PolarHBondContact OG-N 3.36Å; S508-S511 PolarHBondContact OG-OG 3.21Å; S508-M512 WeakPolarHBondContact O-CB 3.35Å; S508-M512 PolarHBondContact O-N 3.46Å
509	L	80.9	Confident	84	Confident	118 Å²	118	79.3 Å²	79.3	62%	0.618	43%	0.433	S	S	*	.	H	α-helix	trans	-58	-34.8	-180	-173.4	65.4	0	0	0	112.5	M512 K513	L509-M512 PolarHBondContact O-N 3.3Å; L509-K513 WeakPolarHBondContact O-CG 3.42Å; L509-K513 PolarHBondContact O-N 3.32Å; L509-K513 VanDerWaalsContact O-N 3.07Å
510	S	84.8	Confident	84.4	Confident	85 Å²	85	81.2 Å²	81.2	59%	0.594	44%	0.44	S	S	*	.	H	α-helix	trans	-67.2	-47	176.9	-60.2	0	0	0	0	111.7	S508 M512 K513 I514	S508-S510 PolarHBondContact O-N 3.48Å; S510-M512 VanDerWaalsContact C-N 3.28Å; S510-M512 PolarHBondContact O-N 3.01Å; S510-K513 PolarHBondContact O-N 3.41Å; S510-I514 WeakPolarHBondContact O-CG1 3.23Å; S510-I514 PolarHBondContact O-N 3.22Å
511	S	85.6	Confident	84.7	Confident	48 Å²	48	83.6 Å²	83.6	34%	0.336	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-40.9	174.9	-54.8	0	0	0	0	111.3	S508 K513 I514 I515	S508-S511 PolarHBondContact O-N 3.24Å; S508-S511 VanDerWaalsContact O-N 3.15Å; S508-S511 WeakPolarHBondContact OG-CB 3.48Å; S508-S511 PolarHBondContact OG-N 3.36Å; S508-S511 PolarHBondContact OG-OG 3.21Å; S511-K513 PolarHBondContact O-N 2.8Å; S511-I514 PolarHBondContact O-N 3.21Å; S511-I515 WeakPolarHBondContact O-CG1 3.38Å; S511-I515 PolarHBondContact O-N 3.2Å
512	M	83.9	Confident	85.1	Confident	33 Å²	33	87.3 Å²	87.3	16%	0.163	47%	0.466	C	S	.	.	H	α-helix	trans	-60.6	-45.3	179	-171.6	177.5	-77.4	0	0	112.2	F501 S508 L509 S510 I514 I515 T516	F501-M512 HydrophobicContact CB-CE 4.43Å; F501-M512 HydrophobicContact CD1-CE 4.01Å; F501-M512 HydrophobicContact CD1-CG 3.76Å; F501-M512 HydrophobicContact CD1-SD 3.91Å; F501-M512 HydrophobicContact CD2-CG 4.4Å; F501-M512 HydrophobicContact CD2-SD 3.91Å; F501-M512 HydrophobicContact CE1-CB 4.44Å; F501-M512 HydrophobicContact CE1-CE 4.36Å; F501-M512 HydrophobicContact CE1-CG 3.14Å; F501-M512 HydrophobicContact CE1-SD 3.83Å; F501-M512 HydrophobicContact CE2-CG 3.84Å; F501-M512 HydrophobicContact CE2-SD 3.8Å; F501-M512 HydrophobicContact CG-CE 4.17Å; F501-M512 HydrophobicContact CG-CG 4.33Å; F501-M512 HydrophobicContact CG-SD 3.91Å; F501-M512 HydrophobicContact CZ-CB 4.46Å; F501-M512 HydrophobicContact CZ-CG 3.1Å; F501-M512 HydrophobicContact CZ-SD 3.69Å; S508-M512 WeakPolarHBondContact O-CB 3.35Å; S508-M512 PolarHBondContact O-N 3.46Å; L509-M512 PolarHBondContact O-N 3.3Å; S510-M512 VanDerWaalsContact C-N 3.28Å; S510-M512 PolarHBondContact O-N 3.01Å; M512-I514 VanDerWaalsContact C-N 3.34Å; M512-I514 PolarHBondContact O-N 3.01Å; M512-I515 PolarHBondContact O-N 2.87Å; M512-T516 PolarHBondContact O-N 3.25Å; M512-T516 PolarHBondContact O-OG1 3.06Å; M512-T516 VanDerWaalsContact O-OG1 3.12Å
513	K	86.8	Confident	85.6	Confident	143 Å²	143	84 Å²	84	62%	0.622	44%	0.441	S	S	*	.	H	α-helix	trans	-60.9	-41.1	175.3	-75	177.9	179.5	-179.5	0	112.8	L509 S510 S511 T516 K517	L509-K513 WeakPolarHBondContact O-CG 3.42Å; L509-K513 PolarHBondContact O-N 3.32Å; L509-K513 VanDerWaalsContact O-N 3.07Å; S510-K513 PolarHBondContact O-N 3.41Å; S511-K513 PolarHBondContact O-N 2.8Å; K513-T516 PolarHBondContact O-N 3.11Å; K513-K517 PolarHBondContact O-N 3.44Å; K513-K517 VanDerWaalsContact O-N 3.09Å
514	I	89.8	Confident	85.9	Confident	97 Å²	97	83.5 Å²	83.5	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-47.7	178.9	-66.7	168.1	0	0	0	110	S510 S511 M512 T516 K517 Y518	S510-I514 WeakPolarHBondContact O-CG1 3.23Å; S510-I514 PolarHBondContact O-N 3.22Å; S511-I514 PolarHBondContact O-N 3.21Å; M512-I514 VanDerWaalsContact C-N 3.34Å; M512-I514 PolarHBondContact O-N 3.01Å; I514-T516 PolarHBondContact O-N 3.21Å; I514-K517 WeakPolarHBondContact O-CB 3.34Å; I514-K517 PolarHBondContact O-N 2.74Å; I514-Y518 HydrophobicContact CG2-CD2 3.72Å; I514-Y518 HydrophobicContact CG2-CE2 3.4Å; I514-Y518 WeakPolarHBondContact O-CD2 3.32Å; I514-Y518 PolarHBondContact O-N 3.16Å; I514-Y518 VanDerWaalsContact O-N 3.13Å
515	I	87.5	Confident	86.6	Confident	64 Å²	64	84.5 Å²	84.5	33%	0.328	45%	0.448	S	S	.	.	H	α-helix	trans	-60.3	-45.1	178.1	-68.7	168	0	0	0	110.9	L500 L507 S511 M512 K517 Y518 I519	L500-I515 HydrophobicContact CD2-CG2 4.25Å; L507-I515 HydrophobicContact CD2-CD1 3.36Å; S511-I515 WeakPolarHBondContact O-CG1 3.38Å; S511-I515 PolarHBondContact O-N 3.2Å; M512-I515 PolarHBondContact O-N 2.87Å; I515-K517 VanDerWaalsContact C-N 3.3Å; I515-K517 PolarHBondContact O-N 3.12Å; I515-Y518 PolarHBondContact O-N 3.5Å; I515-I519 HydrophobicContact CG2-CD1 3.56Å; I515-I519 HydrophobicContact CG2-CG1 4.14Å; I515-I519 WeakPolarHBondContact O-CG1 3.48Å; I515-I519 PolarHBondContact O-N 3.3Å
516	T	88.6	Confident	87.4	Confident	29 Å²	29	83.5 Å²	83.5	18%	0.178	43%	0.434	C	S	.	.	H	α-helix	trans	-56	-44.9	175	-64.1	0	0	0	0	112.4	I497 F501 M512 K513 I514 Y518 I519 K520	I497-T516 HydrophobicContact CD1-CG2 4.3Å; I497-T516 HydrophobicContact CG2-CG2 4.34Å; F501-T516 WeakPolarHBondContact CZ-OG1 3.38Å; M512-T516 PolarHBondContact O-N 3.25Å; M512-T516 PolarHBondContact O-OG1 3.06Å; M512-T516 VanDerWaalsContact O-OG1 3.12Å; K513-T516 PolarHBondContact O-N 3.11Å; I514-T516 PolarHBondContact O-N 3.21Å; T516-Y518 VanDerWaalsContact C-N 3.32Å; T516-Y518 PolarHBondContact O-N 3.4Å; T516-I519 PolarHBondContact O-N 3.5Å; T516-K520 HydrophobicContact CG2-CD 4.17Å; T516-K520 HydrophobicContact CG2-CG 4.37Å; T516-K520 WeakPolarHBondContact O-CB 3.37Å; T516-K520 WeakPolarHBondContact O-CG 3.33Å; T516-K520 PolarHBondContact O-N 3.36Å
517	K	89.7	Confident	87.9	Confident	136 Å²	136	80.8 Å²	80.8	59%	0.591	41%	0.409	S	S	*	.	H	α-helix	trans	-59	-46.4	179.5	-175	-178.1	177.4	-177.1	0	110.7	K513 I514 I515 Q521	K513-K517 PolarHBondContact O-N 3.44Å; K513-K517 VanDerWaalsContact O-N 3.09Å; I514-K517 WeakPolarHBondContact O-CB 3.34Å; I514-K517 PolarHBondContact O-N 2.74Å; I515-K517 VanDerWaalsContact C-N 3.3Å; I515-K517 PolarHBondContact O-N 3.12Å; K517-Q521 WeakPolarHBondContact O-CG 3.47Å; K517-Q521 PolarHBondContact O-N 2.92Å; K517-Q521 VanDerWaalsContact O-N 3.07Å
518	Y	92.1	Very high	88.4	Confident	129 Å²	129	84.3 Å²	84.3	51%	0.506	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-43.9	178	-73	-64.4	0	0	0	112.7	I514 I515 T516 K520 Q521 F522	I514-Y518 HydrophobicContact CG2-CD2 3.72Å; I514-Y518 HydrophobicContact CG2-CE2 3.4Å; I514-Y518 WeakPolarHBondContact O-CD2 3.32Å; I514-Y518 PolarHBondContact O-N 3.16Å; I514-Y518 VanDerWaalsContact O-N 3.13Å; I515-Y518 PolarHBondContact O-N 3.5Å; T516-Y518 VanDerWaalsContact C-N 3.32Å; T516-Y518 PolarHBondContact O-N 3.4Å; Y518-K520 VanDerWaalsContact C-N 3.33Å; Y518-K520 PolarHBondContact O-N 2.96Å; Y518-Q521 WeakPolarHBondContact O-CB 3.45Å; Y518-Q521 PolarHBondContact O-N 3.37Å; Y518-Q521 VanDerWaalsContact O-N 3.15Å; Y518-F522 WeakPolarHBondContact O-CD2 3.35Å; Y518-F522 PolarHBondContact O-N 2.91Å
519	I	90.7	Very high	88.6	Confident	25 Å²	25	87.9 Å²	87.9	13%	0.128	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-46.3	176.8	-68.9	172.3	0	0	0	110.5	Y496 I497 L500 I515 T516 Q521 F522 Q523	Y496-I519 HydrophobicContact CD1-CG2 4.15Å; Y496-I519 HydrophobicContact CE1-CD1 4.37Å; Y496-I519 HydrophobicContact CE1-CG2 4.31Å; I497-I519 HydrophobicContact CD1-CG2 4.01Å; I497-I519 HydrophobicContact CG1-CB 4.41Å; I497-I519 HydrophobicContact CG1-CG2 3.71Å; L500-I519 HydrophobicContact CD2-CD1 3.42Å; L500-I519 VanDerWaalsContact CD2-CD1 3.42Å; I515-I519 HydrophobicContact CG2-CD1 3.56Å; I515-I519 HydrophobicContact CG2-CG1 4.14Å; I515-I519 WeakPolarHBondContact O-CG1 3.48Å; I515-I519 PolarHBondContact O-N 3.3Å; T516-I519 PolarHBondContact O-N 3.5Å; I519-Q521 VanDerWaalsContact C-N 3.31Å; I519-Q521 PolarHBondContact O-N 2.94Å; I519-F522 PolarHBondContact O-N 3.36Å; I519-F522 VanDerWaalsContact O-N 3.16Å; I519-Q523 HydrophobicContact CG2-CG 4.16Å; I519-Q523 WeakPolarHBondContact O-CB 3.44Å; I519-Q523 VanDerWaalsContact O-CG 3.3Å; I519-Q523 WeakPolarHBondContact O-CG 3.31Å; I519-Q523 PolarHBondContact O-N 2.89Å
520	K	89.8	Confident	89	Confident	75 Å²	75	84.1 Å²	84.1	33%	0.326	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-39	177.5	-71.6	-171.8	-177.1	-112	0	112.1	E494 I497 T516 Y518 Q523 I524	E494-K520 IonicContact OE1-NZ 2.71Å; E494-K520 PolarHBondContact OE1-NZ 3.24Å; E494-K520 IonicContact OE2-NZ 2.83Å; E494-K520 PolarHBondContact OE2-NZ 3.48Å; I497-K520 HydrophobicContact CD1-CG 3.85Å; T516-K520 HydrophobicContact CG2-CD 4.17Å; T516-K520 HydrophobicContact CG2-CG 4.37Å; T516-K520 WeakPolarHBondContact O-CB 3.37Å; T516-K520 WeakPolarHBondContact O-CG 3.33Å; T516-K520 PolarHBondContact O-N 3.36Å; Y518-K520 VanDerWaalsContact C-N 3.33Å; Y518-K520 PolarHBondContact O-N 2.96Å; K520-Q523 PolarHBondContact O-N 3.46Å; K520-I524 VanDerWaalsContact O-CG1 3.27Å; K520-I524 WeakPolarHBondContact O-CG1 3.31Å; K520-I524 PolarHBondContact O-N 2.84Å
521	Q	89.6	Confident	89.1	Confident	98 Å²	98	84.2 Å²	84.2	46%	0.458	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-45.7	173.5	-74.8	-177.4	-14.2	0	0	111.8	K517 Y518 I519 Q523 I524 V525	K517-Q521 WeakPolarHBondContact O-CG 3.47Å; K517-Q521 PolarHBondContact O-N 2.92Å; K517-Q521 VanDerWaalsContact O-N 3.07Å; Y518-Q521 WeakPolarHBondContact O-CB 3.45Å; Y518-Q521 PolarHBondContact O-N 3.37Å; Y518-Q521 VanDerWaalsContact O-N 3.15Å; I519-Q521 VanDerWaalsContact C-N 3.31Å; I519-Q521 PolarHBondContact O-N 2.94Å; Q521-Q523 PolarHBondContact O-N 3.35Å; Q521-I524 PolarHBondContact O-N 2.96Å; Q521-V525 WeakPolarHBondContact O-CG2 3.39Å; Q521-V525 PolarHBondContact O-N 3.03Å; Q521-V525 VanDerWaalsContact O-N 3.1Å
522	F	91.3	Very high	89.3	Confident	138 Å²	138	86.6 Å²	86.6	61%	0.605	41%	0.405	S	S	*	.	H	α-helix	trans	-63.1	-41.1	175.6	-70.2	-56.3	0	0	0	112.4	Y518 I519 I524 V525 L526	Y518-F522 WeakPolarHBondContact O-CD2 3.35Å; Y518-F522 PolarHBondContact O-N 2.91Å; I519-F522 PolarHBondContact O-N 3.36Å; I519-F522 VanDerWaalsContact O-N 3.16Å; F522-I524 PolarHBondContact O-N 3.12Å; F522-V525 PolarHBondContact O-N 3.31Å; F522-L526 WeakPolarHBondContact O-CB 3.3Å; F522-L526 VanDerWaalsContact O-CG 3.26Å; F522-L526 WeakPolarHBondContact O-CG 3.23Å; F522-L526 PolarHBondContact O-N 3.18Å
523	Q	91	Very high	89.4	Confident	12 Å²	12	90.4 Å²	90.4	6%	0.056	43%	0.426	C	S	.	.	H	α-helix	trans	-60.1	-44.3	176.1	-73.6	173.7	-34.7	0	0	111.6	L491 I519 K520 Q521 V525 L526 I527	L491-Q523 PolarHBondContact O-NE2 3.43Å; I519-Q523 HydrophobicContact CG2-CG 4.16Å; I519-Q523 WeakPolarHBondContact O-CB 3.44Å; I519-Q523 VanDerWaalsContact O-CG 3.3Å; I519-Q523 WeakPolarHBondContact O-CG 3.31Å; I519-Q523 PolarHBondContact O-N 2.89Å; K520-Q523 PolarHBondContact O-N 3.46Å; Q521-Q523 PolarHBondContact O-N 3.35Å; Q523-V525 VanDerWaalsContact C-N 3.35Å; Q523-V525 PolarHBondContact O-N 2.9Å; Q523-L526 PolarHBondContact O-N 3.32Å; Q523-I527 WeakPolarHBondContact O-CB 3.5Å; Q523-I527 WeakPolarHBondContact O-CD1 3.4Å; Q523-I527 WeakPolarHBondContact O-CG1 3.26Å; Q523-I527 PolarHBondContact O-N 3.28Å
524	I	89	Confident	89.4	Confident	117 Å²	117	86.9 Å²	86.9	60%	0.6	41%	0.412	S	S	*	.	H	α-helix	trans	-59.5	-46.8	176	-69.5	163.8	0	0	0	110.9	K520 Q521 F522 I527 K528	K520-I524 VanDerWaalsContact O-CG1 3.27Å; K520-I524 WeakPolarHBondContact O-CG1 3.31Å; K520-I524 PolarHBondContact O-N 2.84Å; Q521-I524 PolarHBondContact O-N 2.96Å; F522-I524 PolarHBondContact O-N 3.12Å; I524-I527 PolarHBondContact O-N 3.27Å; I524-K528 PolarHBondContact O-N 2.89Å
525	V	91.1	Very high	89.4	Confident	68 Å²	68	87 Å²	87	41%	0.412	41%	0.414	S	S	.	.	H	α-helix	trans	-64.6	-43.1	179.7	173.2	0	0	0	0	111.1	Q521 F522 Q523 I527 K528 Y529	Q521-V525 WeakPolarHBondContact O-CG2 3.39Å; Q521-V525 PolarHBondContact O-N 3.03Å; Q521-V525 VanDerWaalsContact O-N 3.1Å; F522-V525 PolarHBondContact O-N 3.31Å; Q523-V525 VanDerWaalsContact C-N 3.35Å; Q523-V525 PolarHBondContact O-N 2.9Å; V525-I527 PolarHBondContact O-N 3.42Å; V525-K528 WeakPolarHBondContact O-CB 3.46Å; V525-K528 PolarHBondContact O-N 3.47Å; V525-Y529 HydrophobicContact CG1-CD2 3.62Å; V525-Y529 HydrophobicContact CG1-CE2 3.36Å; V525-Y529 VanDerWaalsContact O-CD2 3.23Å; V525-Y529 WeakPolarHBondContact O-CD2 3.32Å; V525-Y529 PolarHBondContact O-N 3.25Å
526	L	89.5	Confident	89.6	Confident	79 Å²	79	88 Å²	88	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.4	-75.3	169.9	0	0	0	111.9	F522 Q523 K528 Y529 H530	F522-L526 WeakPolarHBondContact O-CB 3.3Å; F522-L526 VanDerWaalsContact O-CG 3.26Å; F522-L526 WeakPolarHBondContact O-CG 3.23Å; F522-L526 PolarHBondContact O-N 3.18Å; Q523-L526 PolarHBondContact O-N 3.32Å; L526-K528 VanDerWaalsContact C-N 3.32Å; L526-K528 PolarHBondContact O-N 3.18Å; L526-Y529 PolarHBondContact O-N 3.1Å; L526-H530 VanDerWaalsContact O-CB 3.31Å; L526-H530 WeakPolarHBondContact O-CB 3.41Å; L526-H530 PolarHBondContact O-N 3.43Å
527	I	89.9	Confident	89.6	Confident	67 Å²	67	91.3 Å²	91.3	34%	0.344	43%	0.431	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.5	-69.1	162.2	0	0	0	110.7	F488 T492 Q523 I524 V525 H530 N531	F488-I527 HydrophobicContact CE2-CG1 4.45Å; F488-I527 HydrophobicContact CZ-CG1 4.03Å; T492-I527 HydrophobicContact CG2-CD1 4.25Å; T492-I527 HydrophobicContact CG2-CG1 3.67Å; Q523-I527 WeakPolarHBondContact O-CB 3.5Å; Q523-I527 WeakPolarHBondContact O-CD1 3.4Å; Q523-I527 WeakPolarHBondContact O-CG1 3.26Å; Q523-I527 PolarHBondContact O-N 3.28Å; I524-I527 PolarHBondContact O-N 3.27Å; V525-I527 PolarHBondContact O-N 3.42Å; I527-H530 PolarHBondContact O-N 3.29Å; I527-N531 WeakPolarHBondContact O-CB 3.13Å; I527-N531 VanDerWaalsContact O-CG 3.28Å; I527-N531 PolarHBondContact O-N 3.03Å; I527-N531 PolarHBondContact O-ND2 3.46Å
528	K	89.4	Confident	89.6	Confident	147 Å²	147	88.9 Å²	88.9	64%	0.639	43%	0.425	S	S	*	.	H	α-helix	trans	-59.9	-51.1	177.1	-173.9	-172.4	174.3	-169.2	0	111.3	I524 V525 L526 N531 E532	I524-K528 PolarHBondContact O-N 2.89Å; V525-K528 WeakPolarHBondContact O-CB 3.46Å; V525-K528 PolarHBondContact O-N 3.47Å; L526-K528 VanDerWaalsContact C-N 3.32Å; L526-K528 PolarHBondContact O-N 3.18Å; K528-N531 PolarHBondContact O-N 2.93Å; K528-E532 PolarHBondContact O-N 3.36Å; K528-E532 VanDerWaalsContact O-N 3.08Å
529	Y	89.7	Confident	89.6	Confident	138 Å²	138	87 Å²	87	54%	0.541	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-40.1	178.9	-75	-59.5	0	0	0	112.4	V525 L526 N531 E532 L533	V525-Y529 HydrophobicContact CG1-CD2 3.62Å; V525-Y529 HydrophobicContact CG1-CE2 3.36Å; V525-Y529 VanDerWaalsContact O-CD2 3.23Å; V525-Y529 WeakPolarHBondContact O-CD2 3.32Å; V525-Y529 PolarHBondContact O-N 3.25Å; L526-Y529 PolarHBondContact O-N 3.1Å; Y529-N531 PolarHBondContact O-N 3.42Å; Y529-E532 WeakPolarHBondContact O-CB 3.42Å; Y529-E532 PolarHBondContact O-N 2.98Å; Y529-L533 WeakPolarHBondContact O-CG 3.37Å; Y529-L533 PolarHBondContact O-N 2.97Å
530	H	89.5	Confident	89.6	Confident	39 Å²	39	90.8 Å²	90.8	18%	0.181	44%	0.443	C	S	.	.	H	α-helix	trans	-63.6	-40.7	176.8	-179.3	81.2	0	0	0	112.1	D485 F488 L526 I527 E532 L533 M534	D485-H530 IonicContact OD1-CE1 2.88Å; F488-H530 AromaticContact CD1-CD2 3.72Å; F488-H530 AromaticContact CD1-CE1 3.77Å; F488-H530 AromaticContact CD1-CG 3.89Å; F488-H530 AromaticContact CD1-ND1 3.92Å; F488-H530 AromaticContact CD1-NE2 3.65Å; F488-H530 HydrophobicContact CD2-CB 3.78Å; F488-H530 AromaticContact CD2-CG 3.71Å; F488-H530 AromaticContact CD2-ND1 3.81Å; F488-H530 HydrophobicContact CE1-CB 4.22Å; F488-H530 AromaticContact CE1-CD2 3.25Å; F488-H530 WeakPolarHBondContact CE1-CD2 3.44Å; F488-H530 AromaticContact CE1-CG 3.64Å; F488-H530 AromaticContact CE1-NE2 3.6Å; F488-H530 HydrophobicContact CE2-CB 3.2Å; F488-H530 AromaticContact CE2-CD2 3.93Å; F488-H530 AromaticContact CE2-CG 3.44Å; F488-H530 VanDerWaalsContact CE2-CG 3.44Å; F488-H530 HydrophobicContact CG-CB 4.49Å; F488-H530 AromaticContact CG-CE1 3.96Å; F488-H530 AromaticContact CG-CG 3.92Å; F488-H530 AromaticContact CG-ND1 3.75Å; F488-H530 HydrophobicContact CZ-CB 3.46Å; F488-H530 VanDerWaalsContact CZ-CB 3.46Å; F488-H530 AromaticContact CZ-CD2 3.37Å; F488-H530 WeakPolarHBondContact CZ-CD2 3.31Å; F488-H530 AromaticContact CZ-CG 3.4Å; F488-H530 VanDerWaalsContact CZ-CG 3.4Å; L526-H530 VanDerWaalsContact O-CB 3.31Å; L526-H530 WeakPolarHBondContact O-CB 3.41Å; L526-H530 PolarHBondContact O-N 3.43Å; I527-H530 PolarHBondContact O-N 3.29Å; H530-E532 VanDerWaalsContact C-N 3.32Å; H530-E532 PolarHBondContact O-N 3.12Å; H530-L533 PolarHBondContact O-N 3.4Å; H530-M534 WeakPolarHBondContact O-CB 3.43Å; H530-M534 WeakPolarHBondContact O-CG 3.4Å; H530-M534 PolarHBondContact O-N 2.83Å
531	N	87.2	Confident	89.8	Confident	86 Å²	86	94.4 Å²	94.4	46%	0.46	46%	0.459	S	S	.	.	H	α-helix	trans	-62.9	-39.1	174	-75.2	-19.6	0	0	0	112.1	I527 K528 Y529 M534 N535	I527-N531 WeakPolarHBondContact O-CB 3.13Å; I527-N531 VanDerWaalsContact O-CG 3.28Å; I527-N531 PolarHBondContact O-N 3.03Å; I527-N531 PolarHBondContact O-ND2 3.46Å; K528-N531 PolarHBondContact O-N 2.93Å; Y529-N531 PolarHBondContact O-N 3.42Å; N531-M534 PolarHBondContact O-N 3.14Å; N531-N535 WeakPolarHBondContact O-CB 3.32Å; N531-N535 PolarHBondContact O-N 3.19Å; N531-N535 PolarHBondContact O-ND2 3.43Å
532	E	88.5	Confident	90	Very high	99 Å²	99	93.8 Å²	93.8	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-63.9	-46	174.5	-173.2	175.8	174.9	0	0	111.5	K528 Y529 H530 M534 N535 L536	K528-E532 PolarHBondContact O-N 3.36Å; K528-E532 VanDerWaalsContact O-N 3.08Å; Y529-E532 WeakPolarHBondContact O-CB 3.42Å; Y529-E532 PolarHBondContact O-N 2.98Å; H530-E532 VanDerWaalsContact C-N 3.32Å; H530-E532 PolarHBondContact O-N 3.12Å; E532-M534 VanDerWaalsContact C-N 3.32Å; E532-M534 PolarHBondContact O-N 3.46Å; E532-N535 PolarHBondContact O-N 3.02Å; E532-L536 HydrophobicContact CG-CD1 4.29Å; E532-L536 WeakPolarHBondContact O-CB 3.35Å; E532-L536 WeakPolarHBondContact O-CG 3.34Å; E532-L536 PolarHBondContact O-N 2.94Å
533	L	87.1	Confident	90.1	Very high	113 Å²	113	91.7 Å²	91.7	59%	0.592	45%	0.452	S	S	*	.	H	α-helix	trans	-59.7	-41.8	174.2	-70.3	176.9	0	0	0	112	Y529 H530 L536 K537	Y529-L533 WeakPolarHBondContact O-CG 3.37Å; Y529-L533 PolarHBondContact O-N 2.97Å; H530-L533 PolarHBondContact O-N 3.4Å; L533-L536 PolarHBondContact O-N 3.34Å; L533-K537 VanDerWaalsContact O-CB 3.29Å; L533-K537 WeakPolarHBondContact O-CB 3.32Å; L533-K537 PolarHBondContact O-N 3.27Å
534	M	87.3	Confident	90.1	Very high	68 Å²	68	95.3 Å²	95.3	34%	0.335	47%	0.472	S	S	.	.	H	α-helix	trans	-66	-40.2	176.5	-75.8	-65.7	-82.3	0	0	112	H530 N531 E532 K537 N538	H530-M534 WeakPolarHBondContact O-CB 3.43Å; H530-M534 WeakPolarHBondContact O-CG 3.4Å; H530-M534 PolarHBondContact O-N 2.83Å; N531-M534 PolarHBondContact O-N 3.14Å; E532-M534 VanDerWaalsContact C-N 3.32Å; E532-M534 PolarHBondContact O-N 3.46Å; M534-K537 PolarHBondContact O-N 2.82Å; M534-N538 WeakPolarHBondContact O-CB 3.28Å; M534-N538 PolarHBondContact O-N 2.83Å; M534-N538 PolarHBondContact O-ND2 2.81Å
535	N	89.3	Confident	90.4	Very high	99 Å²	99	93.6 Å²	93.6	53%	0.529	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-44.9	173.7	-73.7	-18.6	0	0	0	111.4	N531 E532 N538 N539	N531-N535 WeakPolarHBondContact O-CB 3.32Å; N531-N535 PolarHBondContact O-N 3.19Å; N531-N535 PolarHBondContact O-ND2 3.43Å; E532-N535 PolarHBondContact O-N 3.02Å; N535-N538 PolarHBondContact O-N 3.39Å; N535-N539 WeakPolarHBondContact O-CB 2.97Å; N535-N539 PolarHBondContact O-N 3.2Å; N535-N539 PolarHBondContact O-ND2 3.09Å
536	L	90.4	Very high	90.5	Very high	86 Å²	86	97 Å²	97	45%	0.45	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-45	175.6	-71.2	169.8	0	0	0	111.6	E532 L533 N538 N539 I540	E532-L536 HydrophobicContact CG-CD1 4.29Å; E532-L536 WeakPolarHBondContact O-CB 3.35Å; E532-L536 WeakPolarHBondContact O-CG 3.34Å; E532-L536 PolarHBondContact O-N 2.94Å; L533-L536 PolarHBondContact O-N 3.34Å; L536-N538 VanDerWaalsContact C-N 3.32Å; L536-N538 PolarHBondContact O-N 3.3Å; L536-N539 PolarHBondContact O-N 3.11Å; L536-I540 WeakPolarHBondContact O-CG1 3.29Å; L536-I540 PolarHBondContact O-N 3.05Å
537	K	89.6	Confident	90.6	Very high	98 Å²	98	99.8 Å²	99.8	43%	0.426	48%	0.475	S	S	.	.	H	α-helix	trans	-59.1	-43.2	176	-172.7	173.2	-174.4	170.3	0	111.3	D481 L533 M534 I540 K541	D481-K537 IonicContact OD2-NZ 2.7Å; D481-K537 PolarHBondContact OD2-NZ 2.93Å; L533-K537 VanDerWaalsContact O-CB 3.29Å; L533-K537 WeakPolarHBondContact O-CB 3.32Å; L533-K537 PolarHBondContact O-N 3.27Å; M534-K537 PolarHBondContact O-N 2.82Å; K537-I540 PolarHBondContact O-N 2.97Å; K537-K541 WeakPolarHBondContact O-CB 3.41Å; K537-K541 PolarHBondContact O-N 3.36Å
538	N	89.8	Confident	90.8	Very high	86 Å²	86	100.4 Å²	100.4	46%	0.46	48%	0.479	S	S	.	.	H	α-helix	trans	-66.5	-41.4	175.8	-73.5	-26.6	0	0	0	112.4	M534 N535 L536 K541 L542	M534-N538 WeakPolarHBondContact O-CB 3.28Å; M534-N538 PolarHBondContact O-N 2.83Å; M534-N538 PolarHBondContact O-ND2 2.81Å; N535-N538 PolarHBondContact O-N 3.39Å; L536-N538 VanDerWaalsContact C-N 3.32Å; L536-N538 PolarHBondContact O-N 3.3Å; N538-K541 WeakPolarHBondContact O-CB 3.48Å; N538-K541 PolarHBondContact O-N 3.19Å; N538-L542 WeakPolarHBondContact O-CB 3.27Å; N538-L542 PolarHBondContact O-N 2.98Å
539	N	92	Very high	91.1	Very high	90 Å²	90	96.4 Å²	96.4	48%	0.481	46%	0.464	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175.8	-73.2	-15.4	0	0	0	111.5	N535 L536 K541 L542 I543	N535-N539 WeakPolarHBondContact O-CB 2.97Å; N535-N539 PolarHBondContact O-N 3.2Å; N535-N539 PolarHBondContact O-ND2 3.09Å; L536-N539 PolarHBondContact O-N 3.11Å; N539-K541 VanDerWaalsContact C-N 3.33Å; N539-K541 PolarHBondContact O-N 3.47Å; N539-L542 PolarHBondContact O-N 2.87Å; N539-I543 VanDerWaalsContact O-CG1 3.29Å; N539-I543 WeakPolarHBondContact O-CG1 3.42Å; N539-I543 PolarHBondContact O-N 2.99Å
540	I	91.4	Very high	91.1	Very high	104 Å²	104	94.4 Å²	94.4	53%	0.533	46%	0.463	S	S	.	.	H	α-helix	trans	-60.1	-45.6	174.9	-69.7	167.5	0	0	0	110.3	L536 K537 L542 I543 L544	L536-I540 WeakPolarHBondContact O-CG1 3.29Å; L536-I540 PolarHBondContact O-N 3.05Å; K537-I540 PolarHBondContact O-N 2.97Å; I540-L542 VanDerWaalsContact C-N 3.3Å; I540-L542 PolarHBondContact O-N 3.44Å; I540-I543 PolarHBondContact O-N 2.9Å; I540-L544 HydrophobicContact CG2-CD1 3.91Å; I540-L544 HydrophobicContact CG2-CG 4.49Å; I540-L544 WeakPolarHBondContact O-CB 3.41Å; I540-L544 WeakPolarHBondContact O-CG 3.37Å; I540-L544 PolarHBondContact O-N 2.88Å
541	K	93.1	Very high	91.4	Very high	151 Å²	151	98.9 Å²	98.9	66%	0.657	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-40.5	176.8	-174.3	177.4	-179.9	-179.8	0	112	K537 N538 N539 L544 N545	K537-K541 WeakPolarHBondContact O-CB 3.41Å; K537-K541 PolarHBondContact O-N 3.36Å; N538-K541 WeakPolarHBondContact O-CB 3.48Å; N538-K541 PolarHBondContact O-N 3.19Å; N539-K541 VanDerWaalsContact C-N 3.33Å; N539-K541 PolarHBondContact O-N 3.47Å; K541-L544 PolarHBondContact O-N 3.11Å; K541-N545 PolarHBondContact O-N 2.95Å
542	L	93.8	Very high	91.8	Very high	85 Å²	85	99.7 Å²	99.7	45%	0.445	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-46.3	178.2	-176.2	65.7	0	0	0	111.7	N538 N539 I540 L544 N545 Y546	N538-L542 WeakPolarHBondContact O-CB 3.27Å; N538-L542 PolarHBondContact O-N 2.98Å; N539-L542 PolarHBondContact O-N 2.87Å; I540-L542 VanDerWaalsContact C-N 3.3Å; I540-L542 PolarHBondContact O-N 3.44Å; L542-L544 VanDerWaalsContact C-N 3.31Å; L542-L544 PolarHBondContact O-N 3.45Å; L542-N545 WeakPolarHBondContact O-CB 3.35Å; L542-N545 PolarHBondContact O-N 3.13Å; L542-N545 VanDerWaalsContact O-N 3.1Å; L542-Y546 HydrophobicContact CD1-CD2 4.18Å; L542-Y546 HydrophobicContact CD1-CE2 3.63Å; L542-Y546 HydrophobicContact CD2-CE2 3.92Å; L542-Y546 HydrophobicContact CG-CD2 3.86Å; L542-Y546 HydrophobicContact CG-CE2 3.48Å; L542-Y546 VanDerWaalsContact CG-CE2 3.48Å; L542-Y546 VanDerWaalsContact O-CD2 3.25Å; L542-Y546 WeakPolarHBondContact O-CD2 3.23Å; L542-Y546 PolarHBondContact O-N 3.41Å
543	I	92.7	Very high	92.1	Very high	94 Å²	94	99.8 Å²	99.8	48%	0.482	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-42.3	175.5	-67.9	164.2	0	0	0	110.7	N539 I540 N545 Y546 R547	N539-I543 VanDerWaalsContact O-CG1 3.29Å; N539-I543 WeakPolarHBondContact O-CG1 3.42Å; N539-I543 PolarHBondContact O-N 2.99Å; I540-I543 PolarHBondContact O-N 2.9Å; I543-N545 VanDerWaalsContact C-N 3.3Å; I543-N545 PolarHBondContact O-N 3.18Å; I543-Y546 PolarHBondContact O-N 3.23Å; I543-R547 WeakPolarHBondContact O-CG 3.41Å; I543-R547 PolarHBondContact O-N 3.32Å
544	L	92.5	Very high	92.5	Very high	88 Å²	88	99.6 Å²	99.6	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-60.9	-40.6	174.4	-78	167.3	0	0	0	111.9	I540 K541 L542 R547 N548	I540-L544 HydrophobicContact CG2-CD1 3.91Å; I540-L544 HydrophobicContact CG2-CG 4.49Å; I540-L544 WeakPolarHBondContact O-CB 3.41Å; I540-L544 WeakPolarHBondContact O-CG 3.37Å; I540-L544 PolarHBondContact O-N 2.88Å; K541-L544 PolarHBondContact O-N 3.11Å; L542-L544 VanDerWaalsContact C-N 3.31Å; L542-L544 PolarHBondContact O-N 3.45Å; L544-R547 VanDerWaalsContact CD2-NH2 3.26Å; L544-N548 VanDerWaalsContact O-CB 3.32Å; L544-N548 WeakPolarHBondContact O-CB 3.47Å; L544-N548 PolarHBondContact O-N 3.33Å
545	N	94.4	Very high	92.8	Very high	80 Å²	80	100 Å²	100	43%	0.428	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-46	176.3	-168.5	70.3	0	0	0	111.9	K541 L542 I543 R547 N548 D549	K541-N545 PolarHBondContact O-N 2.95Å; L542-N545 WeakPolarHBondContact O-CB 3.35Å; L542-N545 PolarHBondContact O-N 3.13Å; L542-N545 VanDerWaalsContact O-N 3.1Å; I543-N545 VanDerWaalsContact C-N 3.3Å; I543-N545 PolarHBondContact O-N 3.18Å; N545-R547 PolarHBondContact O-N 3.07Å; N545-N548 WeakPolarHBondContact O-CB 3.43Å; N545-N548 PolarHBondContact O-N 3.19Å; N545-D549 PolarHBondContact ND2-OD2 2.87Å; N545-D549 PolarHBondContact O-N 2.84Å
546	Y	93	Very high	93.1	Very high	141 Å²	141	99.8 Å²	99.8	55%	0.553	48%	0.483	S	S	*	.	H	α-helix	trans	-58.1	-48.2	175.4	-78.2	-60.3	0	0	0	112.1	L542 I543 N548 D549 D550	L542-Y546 HydrophobicContact CD1-CD2 4.18Å; L542-Y546 HydrophobicContact CD1-CE2 3.63Å; L542-Y546 HydrophobicContact CD2-CE2 3.92Å; L542-Y546 HydrophobicContact CG-CD2 3.86Å; L542-Y546 HydrophobicContact CG-CE2 3.48Å; L542-Y546 VanDerWaalsContact CG-CE2 3.48Å; L542-Y546 VanDerWaalsContact O-CD2 3.25Å; L542-Y546 WeakPolarHBondContact O-CD2 3.23Å; L542-Y546 PolarHBondContact O-N 3.41Å; I543-Y546 PolarHBondContact O-N 3.23Å; Y546-N548 VanDerWaalsContact C-N 3.28Å; Y546-N548 PolarHBondContact O-N 3.41Å; Y546-D549 PolarHBondContact O-N 2.93Å; Y546-D549 VanDerWaalsContact O-N 3.11Å; Y546-D550 PolarHBondContact O-N 2.85Å
547	R	92.7	Very high	93.4	Very high	137 Å²	137	99.5 Å²	99.5	52%	0.517	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-39.9	176.5	-71	-165.7	-60.1	-168.7	1.2	112.1	I543 L544 N545 D549 D550 F551	I543-R547 WeakPolarHBondContact O-CG 3.41Å; I543-R547 PolarHBondContact O-N 3.32Å; L544-R547 VanDerWaalsContact CD2-NH2 3.26Å; N545-R547 PolarHBondContact O-N 3.07Å; R547-D549 VanDerWaalsContact C-N 3.33Å; R547-D550 PolarHBondContact O-N 3.3Å; R547-F551 WeakPolarHBondContact O-CD2 3.44Å; R547-F551 PolarHBondContact O-N 3.11Å
548	N	94.3	Very high	93.6	Very high	80 Å²	80	97.7 Å²	97.7	43%	0.428	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.5	-172	39.2	0	0	0	111.8	L544 N545 Y546 F551 K552	L544-N548 VanDerWaalsContact O-CB 3.32Å; L544-N548 WeakPolarHBondContact O-CB 3.47Å; L544-N548 PolarHBondContact O-N 3.33Å; N545-N548 WeakPolarHBondContact O-CB 3.43Å; N545-N548 PolarHBondContact O-N 3.19Å; Y546-N548 VanDerWaalsContact C-N 3.28Å; Y546-N548 PolarHBondContact O-N 3.41Å; N548-F551 PolarHBondContact O-N 2.87Å; N548-K552 WeakPolarHBondContact O-CG 3.31Å; N548-K552 PolarHBondContact O-N 3.37Å
549	D	94.3	Very high	93.9	Very high	62 Å²	62	96.5 Å²	96.5	33%	0.332	47%	0.469	S	S	.	.	H	α-helix	trans	-71.1	-37	177.1	-66.3	-25.6	0	0	0	111.8	N545 Y546 R547 K552 L553	N545-D549 PolarHBondContact ND2-OD2 2.87Å; N545-D549 PolarHBondContact O-N 2.84Å; Y546-D549 PolarHBondContact O-N 2.93Å; Y546-D549 VanDerWaalsContact O-N 3.11Å; R547-D549 VanDerWaalsContact C-N 3.33Å; D549-K552 WeakPolarHBondContact O-CB 3.32Å; D549-K552 PolarHBondContact O-N 2.88Å; D549-K552 IonicContact OD1-NZ 2.75Å; D549-K552 PolarHBondContact OD1-NZ 3.19Å; D549-L553 PolarHBondContact O-N 2.95Å
550	D	91.5	Very high	94	Very high	97 Å²	97	97.6 Å²	97.6	52%	0.519	47%	0.472	S	S	.	.	H	α-helix	trans	-61.7	-43	171	-69.5	-22.6	0	0	0	111.6	Y546 R547 K552 L553 M554	Y546-D550 PolarHBondContact O-N 2.85Å; R547-D550 PolarHBondContact O-N 3.3Å; D550-K552 VanDerWaalsContact C-N 3.34Å; D550-K552 PolarHBondContact O-N 2.88Å; D550-L553 PolarHBondContact O-N 3.5Å; D550-M554 WeakPolarHBondContact O-CB 3.35Å; D550-M554 PolarHBondContact O-N 3.34Å
551	F	95	Very high	94.2	Very high	133 Å²	133	97.4 Å²	97.4	58%	0.583	47%	0.471	S	S	*	.	H	α-helix	trans	-62.8	-39.9	175.1	-82.5	-60.2	0	0	0	112.1	R547 N548 M554 M555	R547-F551 WeakPolarHBondContact O-CD2 3.44Å; R547-F551 PolarHBondContact O-N 3.11Å; N548-F551 PolarHBondContact O-N 2.87Å; F551-M554 PolarHBondContact O-N 3.43Å; F551-M555 WeakPolarHBondContact O-CB 3.32Å; F551-M555 PolarHBondContact O-N 3.38Å
552	K	95.7	Very high	94.2	Very high	102 Å²	102	96.4 Å²	96.4	44%	0.443	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-44.5	174.1	-70.7	171.3	-160.5	158.3	0	111.4	N548 D549 D550 M555 N556	N548-K552 WeakPolarHBondContact O-CG 3.31Å; N548-K552 PolarHBondContact O-N 3.37Å; D549-K552 WeakPolarHBondContact O-CB 3.32Å; D549-K552 PolarHBondContact O-N 2.88Å; D549-K552 IonicContact OD1-NZ 2.75Å; D549-K552 PolarHBondContact OD1-NZ 3.19Å; D550-K552 VanDerWaalsContact C-N 3.34Å; D550-K552 PolarHBondContact O-N 2.88Å; K552-M555 PolarHBondContact O-N 3.39Å; K552-N556 VanDerWaalsContact O-CG 3.23Å; K552-N556 PolarHBondContact O-N 2.92Å; K552-N556 PolarHBondContact O-OD1 3.24Å
553	L	94.8	Very high	94.2	Very high	101 Å²	101	97.7 Å²	97.7	53%	0.529	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-46.7	176.9	177.2	62.2	0	0	0	110.9	D549 D550 M555 N556 I557	D549-L553 PolarHBondContact O-N 2.95Å; D550-L553 PolarHBondContact O-N 3.5Å; L553-M555 VanDerWaalsContact C-N 3.34Å; L553-M555 PolarHBondContact O-N 3.26Å; L553-N556 PolarHBondContact O-N 2.9Å; L553-I557 HydrophobicContact CD1-CD1 4.23Å; L553-I557 HydrophobicContact CD1-CG1 4.48Å; L553-I557 HydrophobicContact CG-CD1 4.06Å; L553-I557 WeakPolarHBondContact O-CG1 3.29Å; L553-I557 PolarHBondContact O-N 3.46Å
554	M	94	Very high	94.3	Very high	109 Å²	109	98 Å²	98	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-62.3	-40.6	177.3	-167.7	-178	-64.8	0	0	111.6	D550 F551 I557 I558	D550-M554 WeakPolarHBondContact O-CB 3.35Å; D550-M554 PolarHBondContact O-N 3.34Å; F551-M554 PolarHBondContact O-N 3.43Å; M554-I557 PolarHBondContact O-N 2.95Å; M554-I558 HydrophobicContact CG-CD1 4.16Å; M554-I558 VanDerWaalsContact O-CG1 3.26Å; M554-I558 WeakPolarHBondContact O-CG1 3.45Å; M554-I558 PolarHBondContact O-N 3.48Å
555	M	95.3	Very high	94.4	Very high	78 Å²	78	99.1 Å²	99.1	38%	0.384	47%	0.469	S	S	.	.	H	α-helix	trans	-63.7	-43.4	173.7	-95.3	-42.4	-51.5	0	0	112.5	F551 K552 L553 I557 I558 D559	F551-M555 WeakPolarHBondContact O-CB 3.32Å; F551-M555 PolarHBondContact O-N 3.38Å; K552-M555 PolarHBondContact O-N 3.39Å; L553-M555 VanDerWaalsContact C-N 3.34Å; L553-M555 PolarHBondContact O-N 3.26Å; M555-I557 VanDerWaalsContact C-N 3.31Å; M555-I557 PolarHBondContact O-N 2.88Å; M555-I558 HydrophobicContact CE-CB 4.33Å; M555-I558 HydrophobicContact CE-CG2 4.22Å; M555-I558 PolarHBondContact O-N 3.01Å; M555-I558 HydrophobicContact SD-CD1 4.21Å; M555-D559 WeakPolarHBondContact CE-OD1 3.47Å; M555-D559 WeakPolarHBondContact CE-OD2 3.24Å; M555-D559 PolarHBondContact O-N 3.47Å
556	N	95.5	Very high	94.3	Very high	94 Å²	94	100.8 Å²	100.8	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-59.6	-43.8	176.2	-68.7	-13.9	0	0	0	111.2	K552 L553 I558 D559 E560	K552-N556 VanDerWaalsContact O-CG 3.23Å; K552-N556 PolarHBondContact O-N 2.92Å; K552-N556 PolarHBondContact O-OD1 3.24Å; L553-N556 PolarHBondContact O-N 2.9Å; N556-I558 VanDerWaalsContact C-N 3.35Å; N556-I558 PolarHBondContact O-N 3.29Å; N556-D559 PolarHBondContact O-N 3.04Å; N556-E560 WeakPolarHBondContact O-CB 3.5Å; N556-E560 WeakPolarHBondContact O-CG 3.32Å; N556-E560 PolarHBondContact O-N 3.23Å
557	I	95.8	Very high	94.3	Very high	79 Å²	79	99 Å²	99	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-61.5	-43.9	176.1	-66.7	165.4	0	0	0	110.8	L553 M554 M555 D559 E560 L561	L553-I557 HydrophobicContact CD1-CD1 4.23Å; L553-I557 HydrophobicContact CD1-CG1 4.48Å; L553-I557 HydrophobicContact CG-CD1 4.06Å; L553-I557 WeakPolarHBondContact O-CG1 3.29Å; L553-I557 PolarHBondContact O-N 3.46Å; M554-I557 PolarHBondContact O-N 2.95Å; M555-I557 VanDerWaalsContact C-N 3.31Å; M555-I557 PolarHBondContact O-N 2.88Å; I557-D559 VanDerWaalsContact C-N 3.33Å; I557-D559 PolarHBondContact O-N 3.43Å; I557-E560 PolarHBondContact O-N 3.41Å; I557-L561 HydrophobicContact CG2-CD1 4Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.31Å; I557-L561 VanDerWaalsContact O-CG 3.26Å; I557-L561 WeakPolarHBondContact O-CG 3.24Å; I557-L561 PolarHBondContact O-N 2.95Å
558	I	94.7	Very high	94.3	Very high	60 Å²	60	97.8 Å²	97.8	31%	0.308	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-42.1	177.1	-71.1	166.1	0	0	0	110.8	M554 M555 N556 L561 R562	M554-I558 HydrophobicContact CG-CD1 4.16Å; M554-I558 VanDerWaalsContact O-CG1 3.26Å; M554-I558 WeakPolarHBondContact O-CG1 3.45Å; M554-I558 PolarHBondContact O-N 3.48Å; M555-I558 HydrophobicContact CE-CB 4.33Å; M555-I558 HydrophobicContact CE-CG2 4.22Å; M555-I558 PolarHBondContact O-N 3.01Å; M555-I558 HydrophobicContact SD-CD1 4.21Å; N556-I558 VanDerWaalsContact C-N 3.35Å; N556-I558 PolarHBondContact O-N 3.29Å; I558-L561 PolarHBondContact O-N 3.43Å; I558-R562 VanDerWaalsContact O-CG 3.3Å; I558-R562 WeakPolarHBondContact O-CG 3.48Å; I558-R562 PolarHBondContact O-N 2.83Å
559	D	94.8	Very high	94.2	Very high	61 Å²	61	99.4 Å²	99.4	33%	0.326	48%	0.476	S	S	.	.	H	α-helix	trans	-70	-37.1	179.1	-73.1	-26.7	0	0	0	112.1	M555 N556 I557 R562 Q563	M555-D559 WeakPolarHBondContact CE-OD1 3.47Å; M555-D559 WeakPolarHBondContact CE-OD2 3.24Å; M555-D559 PolarHBondContact O-N 3.47Å; N556-D559 PolarHBondContact O-N 3.04Å; I557-D559 VanDerWaalsContact C-N 3.33Å; I557-D559 PolarHBondContact O-N 3.43Å; D559-R562 PolarHBondContact O-N 3.36Å; D559-R562 IonicContact OD1-CZ 2.87Å; D559-R562 IonicContact OD1-NH1 2.72Å; D559-R562 PolarHBondContact OD1-NH1 2.87Å; D559-Q563 WeakPolarHBondContact O-CG 3.25Å; D559-Q563 PolarHBondContact O-N 2.93Å
560	E	95.7	Very high	94.1	Very high	114 Å²	114	102.4 Å²	102.4	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-45.7	170.6	-76.4	-180	-174.1	0	0	111.7	N556 I557 R562 Q563 Q564	N556-E560 WeakPolarHBondContact O-CB 3.5Å; N556-E560 WeakPolarHBondContact O-CG 3.32Å; N556-E560 PolarHBondContact O-N 3.23Å; I557-E560 PolarHBondContact O-N 3.41Å; E560-R562 VanDerWaalsContact C-N 3.33Å; E560-R562 PolarHBondContact O-N 3.3Å; E560-Q563 PolarHBondContact O-N 2.75Å; E560-Q564 WeakPolarHBondContact O-CG 3.44Å; E560-Q564 PolarHBondContact O-N 2.81Å
561	L	93.7	Very high	94.1	Very high	99 Å²	99	102.9 Å²	102.9	52%	0.518	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.2	-73.1	172.3	0	0	0	111.6	I557 I558 Q564 Q565	I557-L561 HydrophobicContact CG2-CD1 4Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.31Å; I557-L561 VanDerWaalsContact O-CG 3.26Å; I557-L561 WeakPolarHBondContact O-CG 3.24Å; I557-L561 PolarHBondContact O-N 2.95Å; I558-L561 PolarHBondContact O-N 3.43Å; L561-Q564 PolarHBondContact O-N 3.33Å; L561-Q565 WeakPolarHBondContact O-CB 3.47Å; L561-Q565 PolarHBondContact O-N 2.95Å
562	R	94.4	Very high	94	Very high	130 Å²	130	101.2 Å²	101.2	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-42.9	173	-74.7	174.1	-167.7	166.7	-1.2	111.6	I558 D559 E560 Q565 Q566	I558-R562 VanDerWaalsContact O-CG 3.3Å; I558-R562 WeakPolarHBondContact O-CG 3.48Å; I558-R562 PolarHBondContact O-N 2.83Å; D559-R562 PolarHBondContact O-N 3.36Å; D559-R562 IonicContact OD1-CZ 2.87Å; D559-R562 IonicContact OD1-NH1 2.72Å; D559-R562 PolarHBondContact OD1-NH1 2.87Å; E560-R562 VanDerWaalsContact C-N 3.33Å; E560-R562 PolarHBondContact O-N 3.3Å; R562-Q565 PolarHBondContact O-N 3.22Å; R562-Q566 WeakPolarHBondContact O-CG 3.34Å; R562-Q566 PolarHBondContact O-N 3.49Å
563	Q	94.4	Very high	93.8	Very high	112 Å²	112	97.9 Å²	97.9	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-43.8	176.7	-75.6	-178.8	24	0	0	111.7	D559 E560 Q565 Q566 Q567	D559-Q563 WeakPolarHBondContact O-CG 3.25Å; D559-Q563 PolarHBondContact O-N 2.93Å; E560-Q563 PolarHBondContact O-N 2.75Å; Q563-Q565 VanDerWaalsContact C-N 3.32Å; Q563-Q565 PolarHBondContact O-N 3.46Å; Q563-Q566 PolarHBondContact O-N 3.03Å; Q563-Q567 WeakPolarHBondContact O-CG 3.41Å; Q563-Q567 PolarHBondContact O-N 3.38Å
564	Q	94.1	Very high	93.7	Very high	100 Å²	100	97.9 Å²	97.9	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-43	175.4	-72.7	179.1	4.7	0	0	111.4	E560 L561 Q566 Q567 Q568	E560-Q564 WeakPolarHBondContact O-CG 3.44Å; E560-Q564 PolarHBondContact O-N 2.81Å; L561-Q564 PolarHBondContact O-N 3.33Å; Q564-Q566 PolarHBondContact O-N 2.64Å; Q564-Q567 PolarHBondContact O-N 3.01Å; Q564-Q568 WeakPolarHBondContact O-CB 3.26Å; Q564-Q568 WeakPolarHBondContact O-CG 3.37Å; Q564-Q568 PolarHBondContact O-N 3.42Å
565	Q	93.4	Very high	93.6	Very high	113 Å²	113	97.4 Å²	97.4	53%	0.528	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-42	176.8	-168.6	179	20.5	0	0	111.8	L561 R562 Q563 Q568 Q569	L561-Q565 WeakPolarHBondContact O-CB 3.47Å; L561-Q565 PolarHBondContact O-N 2.95Å; R562-Q565 PolarHBondContact O-N 3.22Å; Q563-Q565 VanDerWaalsContact C-N 3.32Å; Q563-Q565 PolarHBondContact O-N 3.46Å; Q565-Q568 PolarHBondContact O-N 2.91Å; Q565-Q569 WeakPolarHBondContact O-CG 3.29Å; Q565-Q569 PolarHBondContact O-N 3.47Å
566	Q	93.1	Very high	93.5	Very high	115 Å²	115	100.7 Å²	100.7	54%	0.537	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-42.9	174.7	-74.2	177.4	5	0	0	112	R562 Q563 Q564 Q569 Q570	R562-Q566 WeakPolarHBondContact O-CG 3.34Å; R562-Q566 PolarHBondContact O-N 3.49Å; Q563-Q566 PolarHBondContact O-N 3.03Å; Q564-Q566 PolarHBondContact O-N 2.64Å; Q566-Q569 PolarHBondContact O-N 3.1Å; Q566-Q570 WeakPolarHBondContact O-CG 3.24Å; Q566-Q570 PolarHBondContact O-N 3.31Å
567	Q	93.5	Very high	93.4	Very high	104 Å²	104	101.5 Å²	101.5	49%	0.486	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.1	-73.2	177.3	13.1	0	0	111.7	Q563 Q564 Q569 Q570 Q571	Q563-Q567 WeakPolarHBondContact O-CG 3.41Å; Q563-Q567 PolarHBondContact O-N 3.38Å; Q564-Q567 PolarHBondContact O-N 3.01Å; Q567-Q569 PolarHBondContact O-N 3.14Å; Q567-Q570 PolarHBondContact O-N 3.01Å; Q567-Q571 WeakPolarHBondContact O-CB 3.4Å; Q567-Q571 VanDerWaalsContact O-CG 3.31Å; Q567-Q571 WeakPolarHBondContact O-CG 3.26Å; Q567-Q571 PolarHBondContact O-N 3.06Å
568	Q	92.4	Very high	93.2	Very high	111 Å²	111	103.5 Å²	103.5	52%	0.519	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-42.5	175.4	-74.3	177.7	11.5	0	0	111.7	Q564 Q565 Q570 Q571 Q572	Q564-Q568 WeakPolarHBondContact O-CB 3.26Å; Q564-Q568 WeakPolarHBondContact O-CG 3.37Å; Q564-Q568 PolarHBondContact O-N 3.42Å; Q565-Q568 PolarHBondContact O-N 2.91Å; Q568-Q570 PolarHBondContact O-N 2.87Å; Q568-Q571 PolarHBondContact O-N 2.8Å; Q568-Q572 WeakPolarHBondContact O-CB 3.47Å; Q568-Q572 VanDerWaalsContact O-CG 3.3Å; Q568-Q572 WeakPolarHBondContact O-CG 3.42Å; Q568-Q572 PolarHBondContact O-N 2.92Å
569	Q	92.2	Very high	93.1	Very high	114 Å²	114	106 Å²	106	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-40.9	175.8	-73.2	177.5	15.2	0	0	112	Q565 Q566 Q567 Q572 G573	Q565-Q569 WeakPolarHBondContact O-CG 3.29Å; Q565-Q569 PolarHBondContact O-N 3.47Å; Q566-Q569 PolarHBondContact O-N 3.1Å; Q567-Q569 PolarHBondContact O-N 3.14Å; Q569-Q572 PolarHBondContact O-N 3.48Å; Q569-G573 PolarHBondContact O-N 3.18Å
570	Q	92.2	Very high	93	Very high	124 Å²	124	108.9 Å²	108.9	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-44.1	175	-72.6	177.1	10.2	0	0	111.8	Q566 Q567 Q568 G573 Q574	Q566-Q570 WeakPolarHBondContact O-CG 3.24Å; Q566-Q570 PolarHBondContact O-N 3.31Å; Q567-Q570 PolarHBondContact O-N 3.01Å; Q568-Q570 PolarHBondContact O-N 2.87Å; Q570-G573 PolarHBondContact O-N 3.47Å; Q570-Q574 WeakPolarHBondContact O-CG 3.48Å; Q570-Q574 PolarHBondContact O-N 3.27Å
571	Q	92.1	Very high	92.8	Very high	108 Å²	108	107.8 Å²	107.8	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-43	176.9	-73.2	178.4	16.3	0	0	111.9	Q567 Q568 G573 Q574 Q575	Q567-Q571 WeakPolarHBondContact O-CB 3.4Å; Q567-Q571 VanDerWaalsContact O-CG 3.31Å; Q567-Q571 WeakPolarHBondContact O-CG 3.26Å; Q567-Q571 PolarHBondContact O-N 3.06Å; Q568-Q571 PolarHBondContact O-N 2.8Å; Q571-G573 VanDerWaalsContact C-N 3.32Å; Q571-G573 PolarHBondContact O-N 2.84Å; Q571-Q574 PolarHBondContact O-N 2.9Å; Q571-Q575 WeakPolarHBondContact O-CB 3.23Å; Q571-Q575 WeakPolarHBondContact O-CG 3.26Å; Q571-Q575 PolarHBondContact O-N 3.3Å
572	Q	91.3	Very high	92.8	Very high	98 Å²	98	109.2 Å²	109.2	46%	0.458	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-35.4	174	-72.3	178.3	8.5	0	0	112.1	Q568 Q569 R576	Q568-Q572 WeakPolarHBondContact O-CB 3.47Å; Q568-Q572 VanDerWaalsContact O-CG 3.3Å; Q568-Q572 WeakPolarHBondContact O-CG 3.42Å; Q568-Q572 PolarHBondContact O-N 2.92Å; Q569-Q572 PolarHBondContact O-N 3.48Å; Q572-R576 WeakPolarHBondContact O-CB 3.47Å; Q572-R576 WeakPolarHBondContact O-CG 3.49Å; Q572-R576 PolarHBondContact O-N 3.45Å; Q572-R576 PolarHBondContact O-NE 2.98Å
573	G	92.4	Very high	92.7	Very high	31 Å²	31	108.5 Å²	108.5	32%	0.32	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-50.7	172.2	0	0	0	0	0	111.9	Q569 Q570 Q571 Q575 R576 Q577	Q569-G573 PolarHBondContact O-N 3.18Å; Q570-G573 PolarHBondContact O-N 3.47Å; Q571-G573 VanDerWaalsContact C-N 3.32Å; Q571-G573 PolarHBondContact O-N 2.84Å; G573-Q575 PolarHBondContact O-N 2.81Å; G573-R576 PolarHBondContact O-N 3.43Å; G573-Q577 PolarHBondContact O-N 3.31Å
574	Q	92.4	Very high	92.5	Very high	102 Å²	102	108.6 Å²	108.6	48%	0.477	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-38.8	177.6	-70.6	178.5	5.8	0	0	112.8	Q570 Q571 Q577 R578	Q570-Q574 WeakPolarHBondContact O-CG 3.48Å; Q570-Q574 PolarHBondContact O-N 3.27Å; Q571-Q574 PolarHBondContact O-N 2.9Å; Q574-Q577 PolarHBondContact O-N 2.66Å; Q574-R578 WeakPolarHBondContact O-CG 3.1Å; Q574-R578 PolarHBondContact O-N 3.42Å
575	Q	92.5	Very high	92.5	Very high	99 Å²	99	108.9 Å²	108.9	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-44.2	175.2	-78.2	179.2	-2	0	0	111.7	Q571 G573 Q577 R578 Q579	Q571-Q575 WeakPolarHBondContact O-CB 3.23Å; Q571-Q575 WeakPolarHBondContact O-CG 3.26Å; Q571-Q575 PolarHBondContact O-N 3.3Å; G573-Q575 PolarHBondContact O-N 2.81Å; Q575-Q577 VanDerWaalsContact C-N 3.35Å; Q575-R578 PolarHBondContact O-N 3.21Å; Q575-Q579 WeakPolarHBondContact O-CG 3.38Å; Q575-Q579 PolarHBondContact O-N 2.82Å
576	R	93	Very high	92.4	Very high	147 Å²	147	108.2 Å²	108.2	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-62.3	-41.9	175.7	-77.7	-177.7	-79.6	-156.4	-2.1	112	Q572 G573 Q579 Q580	Q572-R576 WeakPolarHBondContact O-CB 3.47Å; Q572-R576 WeakPolarHBondContact O-CG 3.49Å; Q572-R576 PolarHBondContact O-N 3.45Å; Q572-R576 PolarHBondContact O-NE 2.98Å; G573-R576 PolarHBondContact O-N 3.43Å; R576-Q579 PolarHBondContact O-N 3.16Å; R576-Q580 WeakPolarHBondContact O-CG 3.48Å; R576-Q580 PolarHBondContact O-N 3.46Å
577	Q	92.5	Very high	92.3	Very high	110 Å²	110	108.3 Å²	108.3	51%	0.514	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-44.8	176.7	-169.3	171.4	-0.4	0	0	111.9	G573 Q574 Q575 Q579 Q580 E581	G573-Q577 PolarHBondContact O-N 3.31Å; Q574-Q577 PolarHBondContact O-N 2.66Å; Q575-Q577 VanDerWaalsContact C-N 3.35Å; Q577-Q579 VanDerWaalsContact C-N 3.31Å; Q577-Q579 PolarHBondContact O-N 2.98Å; Q577-Q580 PolarHBondContact O-N 3.42Å; Q577-E581 WeakPolarHBondContact O-CG 3.4Å; Q577-E581 PolarHBondContact O-N 3.44Å
578	R	92.9	Very high	92.2	Very high	121 Å²	121	108.5 Å²	108.5	46%	0.457	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-38.5	174.4	-74.7	-170.3	-65.8	-105.6	3.1	112.8	Q574 Q575 Q582	Q574-R578 WeakPolarHBondContact O-CG 3.1Å; Q574-R578 PolarHBondContact O-N 3.42Å; Q575-R578 PolarHBondContact O-N 3.21Å; R578-Q582 WeakPolarHBondContact O-CB 3.48Å; R578-Q582 VanDerWaalsContact O-CG 3.31Å; R578-Q582 WeakPolarHBondContact O-CG 3.38Å; R578-Q582 PolarHBondContact O-N 3.33Å
579	Q	92.5	Very high	92.2	Very high	113 Å²	113	111.4 Å²	111.4	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-66.5	-40.6	176.1	-74.9	176	-4.3	0	0	111.8	Q575 R576 Q577 Q582 Q583	Q575-Q579 WeakPolarHBondContact O-CG 3.38Å; Q575-Q579 PolarHBondContact O-N 2.82Å; R576-Q579 PolarHBondContact O-N 3.16Å; Q577-Q579 VanDerWaalsContact C-N 3.31Å; Q577-Q579 PolarHBondContact O-N 2.98Å; Q579-Q582 PolarHBondContact O-N 2.86Å; Q579-Q583 VanDerWaalsContact O-CG 3.32Å; Q579-Q583 WeakPolarHBondContact O-CG 3.41Å; Q579-Q583 PolarHBondContact O-N 3.04Å
580	Q	91.9	Very high	92.2	Very high	122 Å²	122	113 Å²	113	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-64	-46	174.7	-75.5	177.6	-22.2	0	0	111.7	R576 Q577 Q582 Q583 E584	R576-Q580 WeakPolarHBondContact O-CG 3.48Å; R576-Q580 PolarHBondContact O-N 3.46Å; Q577-Q580 PolarHBondContact O-N 3.42Å; Q580-Q582 VanDerWaalsContact C-N 3.32Å; Q580-Q582 PolarHBondContact O-N 2.94Å; Q580-Q583 PolarHBondContact O-N 2.83Å; Q580-Q583 VanDerWaalsContact O-N 3.16Å; Q580-E584 WeakPolarHBondContact O-CG 3.29Å; Q580-E584 PolarHBondContact O-N 3.2Å
581	E	92.4	Very high	92	Very high	90 Å²	90	112.3 Å²	112.3	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-60.2	-40.3	176.1	-73.4	172.3	-172.5	0	0	112.1	Q577 E584 Q585	Q577-E581 WeakPolarHBondContact O-CG 3.4Å; Q577-E581 PolarHBondContact O-N 3.44Å; E581-E584 PolarHBondContact O-N 2.81Å; E581-Q585 WeakPolarHBondContact O-CB 3.45Å; E581-Q585 VanDerWaalsContact O-CG 3.26Å; E581-Q585 WeakPolarHBondContact O-CG 3.41Å; E581-Q585 PolarHBondContact O-N 2.88Å
582	Q	92.7	Very high	91.9	Very high	129 Å²	129	112.8 Å²	112.8	60%	0.603	51%	0.51	S	S	*	.	H	α-helix	trans	-64	-42.9	174.5	-77.2	178	-2.9	0	0	112	R578 Q579 Q580 Q585 E586	R578-Q582 WeakPolarHBondContact O-CB 3.48Å; R578-Q582 VanDerWaalsContact O-CG 3.31Å; R578-Q582 WeakPolarHBondContact O-CG 3.38Å; R578-Q582 PolarHBondContact O-N 3.33Å; Q579-Q582 PolarHBondContact O-N 2.86Å; Q580-Q582 VanDerWaalsContact C-N 3.32Å; Q580-Q582 PolarHBondContact O-N 2.94Å; Q582-Q585 PolarHBondContact O-N 3.32Å; Q582-E586 WeakPolarHBondContact O-CB 3.32Å; Q582-E586 PolarHBondContact O-N 2.79Å
583	Q	92	Very high	91.7	Very high	115 Å²	115	114.7 Å²	114.7	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-41.7	176.6	-74.6	177.4	-0.2	0	0	112	Q579 Q580 E586 Q587	Q579-Q583 VanDerWaalsContact O-CG 3.32Å; Q579-Q583 WeakPolarHBondContact O-CG 3.41Å; Q579-Q583 PolarHBondContact O-N 3.04Å; Q580-Q583 PolarHBondContact O-N 2.83Å; Q580-Q583 VanDerWaalsContact O-N 3.16Å; Q583-E586 PolarHBondContact O-N 3.03Å; Q583-Q587 WeakPolarHBondContact O-CB 3.25Å; Q583-Q587 WeakPolarHBondContact O-CG 3.36Å; Q583-Q587 PolarHBondContact O-N 3.33Å
584	E	91.9	Very high	91.3	Very high	114 Å²	114	121 Å²	121	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-44.4	175.4	-76	-177.1	178.6	0	0	111.6	Q580 E581 E586 Q587 Q588	Q580-E584 WeakPolarHBondContact O-CG 3.29Å; Q580-E584 PolarHBondContact O-N 3.2Å; E581-E584 PolarHBondContact O-N 2.81Å; E584-E586 VanDerWaalsContact C-N 3.32Å; E584-E586 PolarHBondContact O-N 3.38Å; E584-Q587 PolarHBondContact O-N 2.88Å; E584-Q588 WeakPolarHBondContact O-CB 3.39Å; E584-Q588 VanDerWaalsContact O-CG 3.31Å; E584-Q588 WeakPolarHBondContact O-CG 3.3Å; E584-Q588 PolarHBondContact O-N 3.1Å
585	Q	92.4	Very high	90.8	Very high	106 Å²	106	124 Å²	124	50%	0.495	56%	0.555	S	S	.	*	H	α-helix	trans	-62.1	-40	174.9	-75	178	22.3	0	0	111.9	E581 Q582 Q588 R589	E581-Q585 WeakPolarHBondContact O-CB 3.45Å; E581-Q585 VanDerWaalsContact O-CG 3.26Å; E581-Q585 WeakPolarHBondContact O-CG 3.41Å; E581-Q585 PolarHBondContact O-N 2.88Å; Q582-Q585 PolarHBondContact O-N 3.32Å; Q585-Q588 PolarHBondContact O-N 3.28Å; Q585-R589 WeakPolarHBondContact O-CB 3.38Å; Q585-R589 WeakPolarHBondContact O-CG 3.45Å; Q585-R589 PolarHBondContact O-N 2.99Å
586	E	92.5	Very high	90.1	Very high	99 Å²	99	129.6 Å²	129.6	46%	0.463	58%	0.58	S	S	.	*	H	α-helix	trans	-67.8	-40.4	177.4	-160.8	-176.7	157.3	0	0	111.5	Q582 Q583 E584 R589 R590	Q582-E586 WeakPolarHBondContact O-CB 3.32Å; Q582-E586 PolarHBondContact O-N 2.79Å; Q583-E586 PolarHBondContact O-N 3.03Å; E584-E586 VanDerWaalsContact C-N 3.32Å; E584-E586 PolarHBondContact O-N 3.38Å; E586-R589 PolarHBondContact O-N 3.49Å; E586-R590 WeakPolarHBondContact O-CG 3.49Å; E586-R590 PolarHBondContact O-N 3.48Å; E586-R590 IonicContact OE1-CZ 2.73Å; E586-R590 IonicContact OE1-NE 2.62Å; E586-R590 IonicContact OE1-NH2 2.65Å; E586-R590 PolarHBondContact OE1-NH2 3.26Å
587	Q	91.2	Very high	89.9	Confident	118 Å²	118	128.7 Å²	128.7	55%	0.551	58%	0.582	S	S	*	*	H	α-helix	trans	-62.7	-44.2	172.7	-76.6	-178.3	6.9	0	0	111.9	Q583 E584 R589 R590 Q591	Q583-Q587 WeakPolarHBondContact O-CB 3.25Å; Q583-Q587 WeakPolarHBondContact O-CG 3.36Å; Q583-Q587 PolarHBondContact O-N 3.33Å; E584-Q587 PolarHBondContact O-N 2.88Å; Q587-R589 PolarHBondContact O-N 2.96Å; Q587-R590 PolarHBondContact O-N 3.38Å; Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 2.81Å
588	Q	91.7	Very high	89.8	Confident	108 Å²	108	129.7 Å²	129.7	51%	0.505	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-42.7	175.5	-74.3	176.3	11.7	0	0	111.6	E584 Q585 R590 Q591 Q592	E584-Q588 WeakPolarHBondContact O-CB 3.39Å; E584-Q588 VanDerWaalsContact O-CG 3.31Å; E584-Q588 WeakPolarHBondContact O-CG 3.3Å; E584-Q588 PolarHBondContact O-N 3.1Å; Q585-Q588 PolarHBondContact O-N 3.28Å; Q588-R590 PolarHBondContact O-N 2.84Å; Q588-Q591 PolarHBondContact O-N 2.86Å; Q588-Q592 WeakPolarHBondContact O-CG 3.23Å; Q588-Q592 PolarHBondContact O-N 3.34Å
589	R	92.1	Very high	89.6	Confident	171 Å²	171	130.2 Å²	130.2	65%	0.645	59%	0.592	S	S	*	*	H	α-helix	trans	-61.4	-42.9	174.4	-76.8	-179.2	-177.9	-144.6	2.1	112.1	Q585 E586 Q587 Q592 Q593	Q585-R589 WeakPolarHBondContact O-CB 3.38Å; Q585-R589 WeakPolarHBondContact O-CG 3.45Å; Q585-R589 PolarHBondContact O-N 2.99Å; E586-R589 PolarHBondContact O-N 3.49Å; Q587-R589 PolarHBondContact O-N 2.96Å; R589-Q592 PolarHBondContact O-N 2.96Å; R589-Q593 WeakPolarHBondContact O-CG 3.43Å; R589-Q593 PolarHBondContact O-N 2.84Å
590	R	91.2	Very high	89.4	Confident	147 Å²	147	131.2 Å²	131.2	56%	0.555	60%	0.596	S	S	*	*	H	α-helix	trans	-64	-40.1	176	-71.9	176.3	-170.3	-136.1	6.4	111.9	E586 Q587 Q588 Q593 Q594	E586-R590 WeakPolarHBondContact O-CG 3.49Å; E586-R590 PolarHBondContact O-N 3.48Å; E586-R590 IonicContact OE1-CZ 2.73Å; E586-R590 IonicContact OE1-NE 2.62Å; E586-R590 IonicContact OE1-NH2 2.65Å; E586-R590 PolarHBondContact OE1-NH2 3.26Å; Q587-R590 PolarHBondContact O-N 3.38Å; Q588-R590 PolarHBondContact O-N 2.84Å; R590-Q593 PolarHBondContact O-N 2.72Å; R590-Q594 WeakPolarHBondContact O-CG 3.45Å; R590-Q594 PolarHBondContact O-N 3.17Å
591	Q	89.2	Confident	89.3	Confident	111 Å²	111	131.8 Å²	131.8	52%	0.519	60%	0.598	S	S	.	*	H	α-helix	trans	-65.3	-41.7	175.2	-73.2	178	6.6	0	0	112	Q587 Q588 Q593 Q594 Q595	Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 2.81Å; Q588-Q591 PolarHBondContact O-N 2.86Å; Q591-Q593 VanDerWaalsContact C-N 3.35Å; Q591-Q593 PolarHBondContact O-N 3.19Å; Q591-Q594 PolarHBondContact O-N 3.16Å; Q591-Q595 WeakPolarHBondContact O-CG 3.41Å; Q591-Q595 PolarHBondContact O-N 3.4Å; Q591-Q595 VanDerWaalsContact O-N 3.11Å
592	Q	89.1	Confident	89.1	Confident	117 Å²	117	134.5 Å²	134.5	55%	0.547	61%	0.61	S	S	.	*	H	α-helix	trans	-63.3	-40	174.9	-73.4	176	6.8	0	0	112.1	Q588 R589 Q594 Q595 Q596	Q588-Q592 WeakPolarHBondContact O-CG 3.23Å; Q588-Q592 PolarHBondContact O-N 3.34Å; R589-Q592 PolarHBondContact O-N 2.96Å; Q592-Q594 VanDerWaalsContact C-N 3.29Å; Q592-Q594 PolarHBondContact O-N 3.37Å; Q592-Q595 PolarHBondContact O-N 3.25Å; Q592-Q596 PolarHBondContact O-N 3.31Å; Q592-Q596 VanDerWaalsContact O-N 3.16Å
593	Q	86.7	Confident	88.8	Confident	139 Å²	139	134.9 Å²	134.9	65%	0.65	61%	0.61	S	S	*	*	H	α-helix	trans	-67	-26.8	174.7	-76.4	178.8	-4.1	0	0	113.6	R589 R590 Q591	R589-Q593 WeakPolarHBondContact O-CG 3.43Å; R589-Q593 PolarHBondContact O-N 2.84Å; R590-Q593 PolarHBondContact O-N 2.72Å; Q591-Q593 VanDerWaalsContact C-N 3.35Å; Q591-Q593 PolarHBondContact O-N 3.19Å
594	Q	85	Confident	88.6	Confident	163 Å²	163	136.5 Å²	136.5	76%	0.762	62%	0.616	S	S	*	*	H	α-helix	trans	-81.3	-20.8	174.4	-74.9	178.4	1	0	0	113.1	R590 Q591 Q592	R590-Q594 WeakPolarHBondContact O-CG 3.45Å; R590-Q594 PolarHBondContact O-N 3.17Å; Q591-Q594 PolarHBondContact O-N 3.16Å; Q592-Q594 VanDerWaalsContact C-N 3.29Å; Q592-Q594 PolarHBondContact O-N 3.37Å
595	Q	82.2	Confident	88.3	Confident	166 Å²	166	138.3 Å²	138.3	78%	0.776	62%	0.623	S	S	*	*	H	α-helix	trans	-85.2	-26.5	176.3	-73.6	179	8.5	0	0	113.1	Q591 Q592	Q591-Q595 WeakPolarHBondContact O-CG 3.41Å; Q591-Q595 PolarHBondContact O-N 3.4Å; Q591-Q595 VanDerWaalsContact O-N 3.11Å; Q592-Q595 PolarHBondContact O-N 3.25Å
596	Q	76.3	Confident	87.9	Confident	215 Å²	215	141.3 Å²	141.3	100%	1.005	63%	0.634	S	S	*	*			trans	-77.8	0	169.5	-70.6	-178.1	0.7	0	0	110.5	Q592	Q592-Q596 PolarHBondContact O-N 3.31Å; Q592-Q596 VanDerWaalsContact O-N 3.16Å

Retrieved 596 of 596 residues in 148.3 ms (Link to these results)

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