A0A077Z329_TRITR Loading...

FYVE and RUN domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z329, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 580 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	40.7	Very low	184 Å²	184	119 Å²	119	91%	0.906	63%	0.63	S	S	*	*				0	-72.2	0	-79	-161	-81.2	0	0	114.9	A3 E4 L5	M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 2.93Å; M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-E4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 3.41Å
2	A	39.1	Very low	41	Very low	85 Å²	85	118.7 Å²	118.7	70%	0.702	64%	0.636	S	S	*	*	H	α-helix	trans	-60.8	-37.3	-179.4	0	0	0	0	0	113.6	Q6	A2-Q6 PolarHBondContact O-N 3.25Å; A2-Q6 VanDerWaalsContact O-N 3.12Å
3	A	39.7	Very low	40.7	Very low	69 Å²	69	116.9 Å²	116.9	57%	0.57	63%	0.633	S	S	*	*	H	α-helix	trans	-69.3	-33.9	174.3	0	0	0	0	0	113.2	M1 Q6 Q7	M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 2.93Å; A3-Q6 PolarHBondContact O-N 3.49Å; A3-Q7 PolarHBondContact O-N 3.21Å
4	E	43.9	Very low	40.2	Very low	133 Å²	133	124.9 Å²	124.9	62%	0.621	65%	0.649	S	S	*	*	H	α-helix	trans	-71.7	-35.2	177.8	-70.9	163.5	142.2	0	0	111.4	M1 Q7 A8	M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-E4 VanDerWaalsContact O-N 3.11Å; E4-Q7 WeakPolarHBondContact O-CB 3.23Å; E4-Q7 PolarHBondContact O-N 2.91Å; E4-A8 PolarHBondContact O-N 2.98Å
5	L	40.5	Very low	39.8	Very low	118 Å²	118	121.1 Å²	121.1	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-68.4	-38.1	172.4	-107.8	147.5	0	0	0	112.2	M1 Q7 A8 M9	M1-L5 PolarHBondContact O-N 3.41Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 2.98Å; L5-A8 PolarHBondContact O-N 3.37Å; L5-M9 PolarHBondContact O-N 3.27Å
6	Q	44.3	Very low	39.4	Very low	122 Å²	122	125.4 Å²	125.4	57%	0.57	67%	0.667	S	S	*	*	H	α-helix	trans	-64.4	-35.2	170.5	-92.3	-175.9	-16.9	0	0	112.5	A2 A3 R10	A2-Q6 PolarHBondContact O-N 3.25Å; A2-Q6 VanDerWaalsContact O-N 3.12Å; A3-Q6 PolarHBondContact O-N 3.49Å; Q6-R10 WeakPolarHBondContact O-CB 3.44Å; Q6-R10 WeakPolarHBondContact O-CG 3.4Å; Q6-R10 PolarHBondContact O-N 2.97Å
7	Q	37.5	Very low	39	Very low	123 Å²	123	123.3 Å²	123.3	58%	0.575	67%	0.671	S	S	*	*	H	α-helix	trans	-65.5	-43.6	174.6	-156.2	99.3	-6.3	0	0	111.1	A3 E4 L5 M9 R10 I11	A3-Q7 PolarHBondContact O-N 3.21Å; E4-Q7 WeakPolarHBondContact O-CB 3.23Å; E4-Q7 PolarHBondContact O-N 2.91Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 2.98Å; Q7-M9 PolarHBondContact O-N 2.93Å; Q7-R10 PolarHBondContact O-N 3.49Å; Q7-I11 WeakPolarHBondContact O-CG1 3.49Å; Q7-I11 PolarHBondContact O-N 3.33Å
8	A	39	Very low	38.7	Very low	55 Å²	55	127.4 Å²	127.4	46%	0.455	68%	0.682	S	S	.	*	H	α-helix	trans	-64.2	-38.9	177.2	0	0	0	0	0	112.6	E4 L5 T12	E4-A8 PolarHBondContact O-N 2.98Å; L5-A8 PolarHBondContact O-N 3.37Å; A8-T12 PolarHBondContact O-N 3.37Å; A8-T12 PolarHBondContact O-OG1 3.18Å
9	M	40.9	Very low	38.4	Very low	125 Å²	125	129.3 Å²	129.3	62%	0.616	69%	0.691	S	S	*	*	H	α-helix	trans	-69.7	-32.4	172.6	-71.8	-171.9	81.6	0	0	112.8	L5 Q7 T12 T13	L5-M9 PolarHBondContact O-N 3.27Å; Q7-M9 PolarHBondContact O-N 2.93Å; M9-T12 WeakPolarHBondContact CA-OG1 3.34Å; M9-T12 PolarHBondContact O-N 2.94Å; M9-T12 PolarHBondContact O-OG1 3.5Å; M9-T12 VanDerWaalsContact O-OG1 3.1Å; M9-T13 WeakPolarHBondContact O-CB 3.24Å; M9-T13 WeakPolarHBondContact O-CG2 3Å; M9-T13 PolarHBondContact O-N 3.36Å; M9-T13 VanDerWaalsContact O-N 3.1Å; M9-T13 PolarHBondContact O-OG1 3.35Å
10	R	37.5	Very low	38	Very low	161 Å²	161	127.1 Å²	127.1	61%	0.608	70%	0.701	S	S	*	*	H	α-helix	trans	-70.7	-35.3	175.2	-81	179.3	179.3	174.8	1.7	112.7	Q6 Q7 T12 T13 R14	Q6-R10 WeakPolarHBondContact O-CB 3.44Å; Q6-R10 WeakPolarHBondContact O-CG 3.4Å; Q6-R10 PolarHBondContact O-N 2.97Å; Q7-R10 PolarHBondContact O-N 3.49Å; R10-T12 VanDerWaalsContact C-N 3.29Å; R10-T12 PolarHBondContact O-N 2.93Å; R10-T13 WeakPolarHBondContact CA-OG1 3.45Å; R10-T13 PolarHBondContact O-N 2.69Å; R10-R14 VanDerWaalsContact O-CB 3.29Å; R10-R14 WeakPolarHBondContact O-CB 3.46Å; R10-R14 PolarHBondContact O-N 3.04Å
11	I	44.2	Very low	37.5	Very low	134 Å²	134	129 Å²	129	69%	0.687	71%	0.705	S	S	*	*	H	α-helix	trans	-67.8	-33.2	176.4	-66.1	168.4	0	0	0	110.7	Q7	Q7-I11 WeakPolarHBondContact O-CG1 3.49Å; Q7-I11 PolarHBondContact O-N 3.33Å
12	T	44.3	Very low	36.8	Very low	115 Å²	115	129 Å²	129	71%	0.706	70%	0.704	S	S	*	*	H	α-helix	trans	-78.6	-22.9	175.4	32.7	0	0	0	0	114.1	A8 M9 R10	A8-T12 PolarHBondContact O-N 3.37Å; A8-T12 PolarHBondContact O-OG1 3.18Å; M9-T12 WeakPolarHBondContact CA-OG1 3.34Å; M9-T12 PolarHBondContact O-N 2.94Å; M9-T12 PolarHBondContact O-OG1 3.5Å; M9-T12 VanDerWaalsContact O-OG1 3.1Å; R10-T12 VanDerWaalsContact C-N 3.29Å; R10-T12 PolarHBondContact O-N 2.93Å
13	T	37.8	Very low	36.2	Very low	96 Å²	96	131 Å²	131	59%	0.589	70%	0.703	S	S	*	*	H	α-helix	trans	-101.3	-21.6	-177.9	49	0	0	0	0	114.9	M9 R10 G15	M9-T13 WeakPolarHBondContact O-CB 3.24Å; M9-T13 WeakPolarHBondContact O-CG2 3Å; M9-T13 PolarHBondContact O-N 3.36Å; M9-T13 VanDerWaalsContact O-N 3.1Å; M9-T13 PolarHBondContact O-OG1 3.35Å; R10-T13 WeakPolarHBondContact CA-OG1 3.45Å; R10-T13 PolarHBondContact O-N 2.69Å; T13-G15 PolarHBondContact O-N 3.46Å
14	R	32.8	Very low	35.7	Very low	229 Å²	229	135.1 Å²	135.1	86%	0.864	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-4.3	-178.1	-149	173.6	-172.7	173.6	1.3	114.3	R10	R10-R14 VanDerWaalsContact O-CB 3.29Å; R10-R14 WeakPolarHBondContact O-CB 3.46Å; R10-R14 PolarHBondContact O-N 3.04Å
15	G	34	Very low	35	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-15.9	177.6	0	0	0	0	0	115.6	T13	T13-G15 PolarHBondContact O-N 3.46Å
16	Q	34.2	Very low	34.6	Very low	190 Å²	190	133.5 Å²	133.5	89%	0.888	72%	0.721	S	S	*	*	S	Bend	trans	-144.1	40.4	-165.7	-68.8	-171.9	-34.7	0	0	114.8
17	A	31.5	Very low	33.9	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	72%	0.724	S	S	*	*			trans	-113.2	61.5	170.5	0	0	0	0	0	111.1
18	K	33.8	Very low	33.4	Very low	198 Å²	198	134.5 Å²	134.5	86%	0.861	73%	0.734	S	S	*	*	S	Bend	trans	-138.8	119.6	158.5	-77.4	-167.2	177.3	-178.5	0	109.1
19	N	34	Very low	32.9	Very low	162 Å²	162	141 Å²	141	87%	0.866	75%	0.752	S	S	*	*			trans	68	107.3	171.5	-65.9	-3	0	0	0	116.6	Q21	N19-Q21 PolarHBondContact O-N 2.91Å; N19-Q21 VanDerWaalsContact O-N 3.16Å
20	G	29.3	Very low	32.2	Very low	85 Å²	85	137.1 Å²	137.1	88%	0.876	74%	0.744	S	S	*	*			trans	-62.2	110	167.3	0	0	0	0	0	110.9
21	Q	27.6	Very low	31.8	Very low	168 Å²	168	132.7 Å²	132.7	79%	0.785	75%	0.749	S	S	*	*			trans	-153.6	110.8	144.9	-102.4	170.1	-13.8	0	0	103.2	N19 N23	N19-Q21 PolarHBondContact O-N 2.91Å; N19-Q21 VanDerWaalsContact O-N 3.16Å; Q21-N23 PolarHBondContact O-N 3.23Å
22	M	27.5	Very low	31.3	Very low	183 Å²	183	131.6 Å²	131.6	90%	0.901	75%	0.751	S	S	*	*			trans	-63.1	89.9	173.1	-75.7	-155.5	-149.1	0	0	107.7	M24	M22-M24 PolarHBondContact O-N 2.89Å
23	N	26.6	Very low	30.8	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	74%	0.743	S	S	*	*			trans	-69.6	89.1	165.8	-90.4	-7.1	0	0	0	107.3	Q21 S25	Q21-N23 PolarHBondContact O-N 3.23Å; N23-S25 PolarHBondContact O-N 3.26Å
24	M	28.4	Very low	31	Very low	156 Å²	156	134.7 Å²	134.7	77%	0.768	76%	0.757	S	S	*	*			trans	-68.6	39.1	164.6	-81	-70.7	-69.8	0	0	111.5	M22	M22-M24 PolarHBondContact O-N 2.89Å
25	S	29.9	Very low	31.7	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	76%	0.756	S	S	*	*			trans	-108.7	41.2	-174.9	62.2	0	0	0	0	112.5	N23	N23-S25 PolarHBondContact O-N 3.26Å
26	T	31.3	Very low	33.1	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	75%	0.746	S	S	*	*			trans	-127.3	20.9	169.3	48.2	0	0	0	0	114.2
27	L	29.1	Very low	35.3	Very low	123 Å²	123	127.1 Å²	127.1	64%	0.644	72%	0.72	S	S	*	*			trans	-108.8	70	162.5	-68.1	173.1	0	0	0	108.4	F29	L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 HydrophobicContact CB-CD2 4.15Å; L27-F29 HydrophobicContact CB-CE2 3.86Å; L27-F29 WeakPolarHBondContact O-CD2 3.34Å; L27-F29 PolarHBondContact O-N 3.38Å
28	N	27.9	Very low	37.9	Very low	143 Å²	143	129.5 Å²	129.5	77%	0.765	71%	0.71	S	S	*	*			trans	-73.2	88.4	175.7	-154.7	20.1	0	0	0	108.2	G30	N28-G30 PolarHBondContact O-N 3.33Å
29	F	28.1	Very low	40.3	Very low	190 Å²	190	120.9 Å²	120.9	83%	0.833	68%	0.676	S	S	*	*			trans	-78.9	72.2	171.4	-74.6	-80.7	0	0	0	109.2	L27	L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 HydrophobicContact CB-CD2 4.15Å; L27-F29 HydrophobicContact CB-CE2 3.86Å; L27-F29 WeakPolarHBondContact O-CD2 3.34Å; L27-F29 PolarHBondContact O-N 3.38Å
30	G	27	Very low	42.7	Very low	45 Å²	45	116.2 Å²	116.2	46%	0.464	65%	0.653	S	S	.	*			trans	-103.1	120.4	176.7	0	0	0	0	0	111.9	N28	N28-G30 PolarHBondContact O-N 3.33Å
31	G	29.1	Very low	45.5	Very low	68 Å²	68	116.7 Å²	116.7	70%	0.701	63%	0.632	S	S	*	*			trans	43.8	86.4	155.4	0	0	0	0	0	118.6	S33	G31-S33 PolarHBondContact O-N 3.18Å
32	C	32.2	Very low	48.6	Very low	110 Å²	110	109.9 Å²	109.9	74%	0.743	60%	0.599	S	S	*	*			trans	-70.4	94.6	173.5	-163.8	0	0	0	0	111.1
33	S	35.5	Very low	51.6	Low	74 Å²	74	104.5 Å²	104.5	52%	0.517	57%	0.574	S	S	.	*			trans	-78.1	141.4	154.8	79.5	0	0	0	0	107.9	G31 Q35 D36	G31-S33 PolarHBondContact O-N 3.18Å; S33-Q35 PolarHBondContact O-N 3.31Å; S33-D36 PolarHBondContact O-N 3.05Å; S33-D36 VanDerWaalsContact O-N 3.12Å
34	F	40.4	Very low	54.7	Low	203 Å²	203	103.1 Å²	103.1	89%	0.89	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-13.6	-173.2	-91	-95.3	0	0	0	115.4
35	Q	48	Very low	57.8	Low	180 Å²	180	96.6 Å²	96.6	84%	0.841	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.1	178.4	-84.9	173.5	-20.7	0	0	114.1	S33	S33-Q35 PolarHBondContact O-N 3.31Å
36	D	63.5	Low	60.8	Low	91 Å²	91	93.5 Å²	93.5	49%	0.487	51%	0.511	S	S	.	.	S	Bend	trans	-94.7	-7.2	-172.7	-145.7	18.4	0	0	0	114.6	S33 R38 A39 V40	S33-D36 PolarHBondContact O-N 3.05Å; S33-D36 VanDerWaalsContact O-N 3.12Å; D36-R38 VanDerWaalsContact C-N 3.26Å; D36-R38 PolarHBondContact O-N 3.09Å; D36-R38 VanDerWaalsContact O-N 3.17Å; D36-A39 PolarHBondContact O-N 3.12Å; D36-A39 VanDerWaalsContact O-N 3.09Å; D36-A39 VanDerWaalsContact OD1-CB 3.22Å; D36-A39 WeakPolarHBondContact OD1-CB 3.37Å; D36-V40 WeakPolarHBondContact O-CG2 3.33Å; D36-V40 PolarHBondContact O-N 3.01Å
37	T	80.3	Confident	63.7	Low	56 Å²	56	91.7 Å²	91.7	34%	0.344	50%	0.495	S	S	.	.	H	α-helix	trans	-56.5	-38.9	-177.6	-48.4	0	0	0	0	112.6	Q41	T37-Q41 WeakPolarHBondContact O-CB 3.31Å; T37-Q41 WeakPolarHBondContact O-CG 3.32Å; T37-Q41 PolarHBondContact O-N 3.19Å
38	R	85.9	Confident	66.7	Low	140 Å²	140	87.5 Å²	87.5	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-70.7	-37.9	179.7	-67.1	175.9	-177.4	169.1	1.2	112.2	D36 Q41 R42 W171	D36-R38 VanDerWaalsContact C-N 3.26Å; D36-R38 PolarHBondContact O-N 3.09Å; D36-R38 VanDerWaalsContact O-N 3.17Å; R38-Q41 PolarHBondContact O-N 3.37Å; R38-R42 WeakPolarHBondContact O-CB 3.1Å; R38-R42 PolarHBondContact O-N 3.24Å; R38-W171 HydrophobicContact CB-CB 4.45Å; R38-W171 HydrophobicContact CB-CD2 4.29Å; R38-W171 HydrophobicContact CB-CE3 4.13Å; R38-W171 HydrophobicContact CB-CG 4.43Å; R38-W171 HydrophobicContact CG-CD2 4.24Å; R38-W171 HydrophobicContact CG-CE3 4.27Å
39	A	83.9	Confident	69.9	Low	17 Å²	17	80.8 Å²	80.8	14%	0.14	44%	0.438	C	S	.	.	H	α-helix	trans	-70.3	-39.5	176.5	0	0	0	0	0	110.8	D36 R42 N43	D36-A39 PolarHBondContact O-N 3.12Å; D36-A39 VanDerWaalsContact O-N 3.09Å; D36-A39 VanDerWaalsContact OD1-CB 3.22Å; D36-A39 WeakPolarHBondContact OD1-CB 3.37Å; A39-R42 PolarHBondContact O-N 2.88Å; A39-N43 WeakPolarHBondContact O-CB 3.21Å; A39-N43 PolarHBondContact O-N 2.91Å; A39-N43 PolarHBondContact O-ND2 3.37Å
40	V	85.9	Confident	72.9	Confident	64 Å²	64	77.8 Å²	77.8	39%	0.388	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-46.9	171.9	173.7	0	0	0	0	110.7	D36 R42 N43 N44	D36-V40 WeakPolarHBondContact O-CG2 3.33Å; D36-V40 PolarHBondContact O-N 3.01Å; V40-R42 PolarHBondContact O-N 3.46Å; V40-N43 PolarHBondContact O-N 3.3Å; V40-N44 VanDerWaalsContact O-CB 3.27Å; V40-N44 WeakPolarHBondContact O-CB 3.24Å; V40-N44 PolarHBondContact O-N 3.39Å; V40-N44 PolarHBondContact O-ND2 2.84Å; V40-N44 PolarHBondContact O-OD1 2.7Å
41	Q	88.2	Confident	76	Confident	95 Å²	95	79.2 Å²	79.2	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-58	-47.7	175.5	-77.1	171.8	-2.2	0	0	112	T37 R38 N43 N44 L45	T37-Q41 WeakPolarHBondContact O-CB 3.31Å; T37-Q41 WeakPolarHBondContact O-CG 3.32Å; T37-Q41 PolarHBondContact O-N 3.19Å; R38-Q41 PolarHBondContact O-N 3.37Å; Q41-N43 PolarHBondContact O-N 3.29Å; Q41-N44 PolarHBondContact O-N 2.98Å; Q41-L45 VanDerWaalsContact O-CB 3.31Å; Q41-L45 WeakPolarHBondContact O-CB 3.42Å; Q41-L45 PolarHBondContact O-N 3.2Å
42	R	93	Very high	79.1	Confident	25 Å²	25	76.1 Å²	76.1	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-59.1	-47.6	177	-174.5	-176.4	63.7	-133.9	0.8	111.8	R38 A39 V40 L45 F46 L173 H176 T179	R38-R42 WeakPolarHBondContact O-CB 3.1Å; R38-R42 PolarHBondContact O-N 3.24Å; A39-R42 PolarHBondContact O-N 2.88Å; V40-R42 PolarHBondContact O-N 3.46Å; R42-L45 PolarHBondContact O-N 2.92Å; R42-F46 WeakPolarHBondContact O-CB 3.32Å; R42-F46 PolarHBondContact O-N 3.31Å; R42-L173 HydrophobicContact CG-CB 4.21Å; R42-L173 HydrophobicContact CG-CG 4.47Å; R42-H176 PolarHBondContact NH1-CD2 3.05Å; R42-H176 VanDerWaalsContact NH1-CD2 3.33Å; R42-T179 WeakPolarHBondContact CD-OG1 3.28Å; R42-T179 HydrophobicContact CG-CG2 4.19Å
43	N	89.7	Confident	82	Confident	69 Å²	69	71.1 Å²	71.1	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-43.1	-178.9	-71.5	-18.2	0	0	0	111.6	A39 V40 Q41 L45 F46 L47	A39-N43 WeakPolarHBondContact O-CB 3.21Å; A39-N43 PolarHBondContact O-N 2.91Å; A39-N43 PolarHBondContact O-ND2 3.37Å; V40-N43 PolarHBondContact O-N 3.3Å; Q41-N43 PolarHBondContact O-N 3.29Å; N43-L45 VanDerWaalsContact C-N 3.34Å; N43-L45 PolarHBondContact O-N 3.26Å; N43-F46 PolarHBondContact O-N 2.91Å; N43-L47 WeakPolarHBondContact O-CB 3.43Å; N43-L47 VanDerWaalsContact O-CG 3.32Å; N43-L47 WeakPolarHBondContact O-CG 3.49Å; N43-L47 PolarHBondContact O-N 2.85Å
44	N	90.7	Very high	84.6	Confident	98 Å²	98	75.2 Å²	75.2	52%	0.524	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-45.5	176	-72.6	-9.8	0	0	0	110.9	V40 Q41 L47 L48	V40-N44 VanDerWaalsContact O-CB 3.27Å; V40-N44 WeakPolarHBondContact O-CB 3.24Å; V40-N44 PolarHBondContact O-N 3.39Å; V40-N44 PolarHBondContact O-ND2 2.84Å; V40-N44 PolarHBondContact O-OD1 2.7Å; Q41-N44 PolarHBondContact O-N 2.98Å; N44-L47 PolarHBondContact O-N 2.82Å; N44-L48 VanDerWaalsContact O-CB 3.24Å; N44-L48 WeakPolarHBondContact O-CB 3.25Å; N44-L48 PolarHBondContact O-N 3.02Å
45	L	93.4	Very high	87	Confident	20 Å²	20	66.2 Å²	66.2	11%	0.105	32%	0.317	C	S	.	.	H	α-helix	trans	-68.6	-36	179.7	-172.6	57.8	0	0	0	113	Q41 R42 N43 L48 S49 K84 A85 H88 L173	Q41-L45 VanDerWaalsContact O-CB 3.31Å; Q41-L45 WeakPolarHBondContact O-CB 3.42Å; Q41-L45 PolarHBondContact O-N 3.2Å; R42-L45 PolarHBondContact O-N 2.92Å; N43-L45 VanDerWaalsContact C-N 3.34Å; N43-L45 PolarHBondContact O-N 3.26Å; L45-L48 HydrophobicContact CD1-CD2 4.41Å; L45-S49 WeakPolarHBondContact O-CB 3.44Å; L45-S49 PolarHBondContact O-N 3.21Å; L45-S49 PolarHBondContact O-OG 3.18Å; L45-K84 HydrophobicContact CD1-CB 3.9Å; L45-A85 HydrophobicContact CD2-CB 4.5Å; L45-A85 HydrophobicContact CG-CB 4.32Å; L45-H88 HydrophobicContact CD2-CB 3.46Å; L45-H88 VanDerWaalsContact CD2-CB 3.46Å; L45-L173 HydrophobicContact CB-CD1 4.25Å; L45-L173 HydrophobicContact CD2-CD1 4.21Å; L45-L173 HydrophobicContact CG-CD1 4.07Å
46	F	93.8	Very high	89	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.096	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-47.2	170.8	168.5	-115.2	0	0	0	112	R42 N43 S49 R50 L173 T179 P182 F183	R42-F46 WeakPolarHBondContact O-CB 3.32Å; R42-F46 PolarHBondContact O-N 3.31Å; N43-F46 PolarHBondContact O-N 2.91Å; F46-S49 WeakPolarHBondContact O-CB 3.3Å; F46-S49 PolarHBondContact O-N 2.84Å; F46-R50 HydrophobicContact CE2-CG 4.1Å; F46-R50 HydrophobicContact CZ-CG 4.28Å; F46-R50 PolarHBondContact O-N 3.24Å; F46-L173 HydrophobicContact CB-CD1 4.29Å; F46-T179 HydrophobicContact CB-CG2 4.38Å; F46-T179 HydrophobicContact CD1-CG2 4.46Å; F46-T179 HydrophobicContact CG-CG2 4.35Å; F46-P182 HydrophobicContact CE2-CB 3.84Å; F46-P182 HydrophobicContact CZ-CB 3.62Å; F46-F183 HydrophobicContact CD2-CB 3.97Å; F46-F183 HydrophobicContact CE2-CB 4.1Å
47	L	91.8	Very high	90.3	Very high	92 Å²	92	55.2 Å²	55.2	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-42.6	177.1	-71.7	172.4	0	0	0	111.5	N43 N44 S49 R50 L51	N43-L47 WeakPolarHBondContact O-CB 3.43Å; N43-L47 VanDerWaalsContact O-CG 3.32Å; N43-L47 WeakPolarHBondContact O-CG 3.49Å; N43-L47 PolarHBondContact O-N 2.85Å; N44-L47 PolarHBondContact O-N 2.82Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-S49 PolarHBondContact O-N 2.79Å; L47-R50 WeakPolarHBondContact O-CB 3.45Å; L47-R50 PolarHBondContact O-N 2.95Å; L47-R50 VanDerWaalsContact O-N 3.17Å; L47-L51 WeakPolarHBondContact O-CG 3.25Å; L47-L51 PolarHBondContact O-N 3.12Å
48	L	93.1	Very high	90.8	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-43.9	176.4	-168	66.8	0	0	0	111.4	N44 L45 R50 L51 A52 T81 V211 L213 M216	N44-L48 VanDerWaalsContact O-CB 3.24Å; N44-L48 WeakPolarHBondContact O-CB 3.25Å; N44-L48 PolarHBondContact O-N 3.02Å; L45-L48 HydrophobicContact CD1-CD2 4.41Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.49Å; L48-L51 PolarHBondContact O-N 2.96Å; L48-A52 WeakPolarHBondContact O-CB 3.33Å; L48-A52 PolarHBondContact O-N 3.05Å; L48-T81 HydrophobicContact CB-CG2 4.33Å; L48-T81 HydrophobicContact CD2-CG2 4.22Å; L48-T81 HydrophobicContact CG-CG2 3.93Å; L48-V211 HydrophobicContact CD1-CG1 4.23Å; L48-V211 HydrophobicContact CD2-CB 4.36Å; L48-V211 HydrophobicContact CD2-CG1 4.11Å; L48-V211 HydrophobicContact CD2-CG2 4.17Å; L48-V211 HydrophobicContact CG-CG1 4.29Å; L48-L213 HydrophobicContact CD1-CD2 3.41Å; L48-L213 VanDerWaalsContact CD1-CD2 3.41Å; L48-M216 HydrophobicContact CD1-CE 3.4Å; L48-M216 HydrophobicContact CD1-SD 4.25Å; L48-M216 HydrophobicContact CG-CE 4.27Å
49	S	93.5	Very high	90.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-42.1	175.2	-61.4	0	0	0	0	112.1	L45 F46 L47 A52 I53	L45-S49 WeakPolarHBondContact O-CB 3.44Å; L45-S49 PolarHBondContact O-N 3.21Å; L45-S49 PolarHBondContact O-OG 3.18Å; F46-S49 WeakPolarHBondContact O-CB 3.3Å; F46-S49 PolarHBondContact O-N 2.84Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-S49 PolarHBondContact O-N 2.79Å; S49-A52 PolarHBondContact O-N 3.17Å; S49-I53 WeakPolarHBondContact O-CB 3.2Å; S49-I53 WeakPolarHBondContact O-CD1 3.33Å; S49-I53 WeakPolarHBondContact O-CG1 3.36Å; S49-I53 PolarHBondContact O-N 3.21Å
50	R	92.7	Very high	90.9	Very high	126 Å²	126	52 Å²	52	48%	0.475	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-39.9	176.1	-76.1	179.2	61.9	169.4	2.8	112.6	F46 L47 L48 R54	F46-R50 HydrophobicContact CE2-CG 4.1Å; F46-R50 HydrophobicContact CZ-CG 4.28Å; F46-R50 PolarHBondContact O-N 3.24Å; L47-R50 WeakPolarHBondContact O-CB 3.45Å; L47-R50 PolarHBondContact O-N 2.95Å; L47-R50 VanDerWaalsContact O-N 3.17Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.49Å; R50-R54 VanDerWaalsContact O-CB 3.23Å; R50-R54 WeakPolarHBondContact O-CB 3.22Å; R50-R54 PolarHBondContact O-N 3.39Å
51	L	91.5	Very high	90.9	Very high	76 Å²	76	56 Å²	56	40%	0.398	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-42.6	175.6	-71.6	172.9	0	0	0	111.4	L47 L48 R54 S55 M216	L47-L51 WeakPolarHBondContact O-CG 3.25Å; L47-L51 PolarHBondContact O-N 3.12Å; L48-L51 PolarHBondContact O-N 2.96Å; L51-R54 PolarHBondContact O-N 3.31Å; L51-S55 WeakPolarHBondContact O-CB 3.29Å; L51-S55 PolarHBondContact O-N 3Å; L51-M216 HydrophobicContact CB-CB 4.29Å; L51-M216 HydrophobicContact CB-CG 4.44Å; L51-M216 HydrophobicContact CB-SD 3.85Å
52	A	93.7	Very high	90.7	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-47.8	177.3	0	0	0	0	0	111.5	L48 S49 R54 S55 L56 T81 M216	L48-A52 WeakPolarHBondContact O-CB 3.33Å; L48-A52 PolarHBondContact O-N 3.05Å; S49-A52 PolarHBondContact O-N 3.17Å; A52-R54 VanDerWaalsContact C-N 3.35Å; A52-R54 PolarHBondContact O-N 3.06Å; A52-S55 PolarHBondContact O-N 3.31Å; A52-L56 WeakPolarHBondContact O-CB 3.14Å; A52-L56 PolarHBondContact O-N 3.48Å; A52-T81 HydrophobicContact CB-CG2 4.14Å; A52-M216 VanDerWaalsContact CA-SD 3.52Å; A52-M216 HydrophobicContact CB-SD 3.73Å; A52-M216 PolarHBondContact N-SD 2.87Å
53	I	93.1	Very high	90.3	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-45.4	176.3	-67.2	162	0	0	0	110.7	S49 L56 L57 F78 L187 L190	S49-I53 WeakPolarHBondContact O-CB 3.2Å; S49-I53 WeakPolarHBondContact O-CD1 3.33Å; S49-I53 WeakPolarHBondContact O-CG1 3.36Å; S49-I53 PolarHBondContact O-N 3.21Å; I53-L56 PolarHBondContact O-N 3.47Å; I53-L57 HydrophobicContact CG2-CD1 3.79Å; I53-L57 HydrophobicContact CG2-CG 4.34Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 VanDerWaalsContact O-CG 3.27Å; I53-L57 WeakPolarHBondContact O-CG 2.98Å; I53-L57 PolarHBondContact O-N 2.75Å; I53-F78 HydrophobicContact CD1-CE2 4.24Å; I53-F78 HydrophobicContact CG1-CD2 3.76Å; I53-F78 HydrophobicContact CG1-CE2 3.55Å; I53-L187 HydrophobicContact CD1-CD2 3.66Å; I53-L187 HydrophobicContact CD1-CG 4.28Å; I53-L187 HydrophobicContact CG1-CD2 4.28Å; I53-L190 HydrophobicContact CG2-CD2 4.1Å; I53-L190 HydrophobicContact CG2-CG 4.49Å
54	R	90.8	Very high	89.5	Confident	160 Å²	160	62.5 Å²	62.5	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-63.8	-47	179.7	-179.4	179	171.4	164.8	0.5	111.7	R50 L51 A52 L56 L57 E58	R50-R54 VanDerWaalsContact O-CB 3.23Å; R50-R54 WeakPolarHBondContact O-CB 3.22Å; R50-R54 PolarHBondContact O-N 3.39Å; L51-R54 PolarHBondContact O-N 3.31Å; A52-R54 VanDerWaalsContact C-N 3.35Å; A52-R54 PolarHBondContact O-N 3.06Å; R54-L56 VanDerWaalsContact C-N 3.28Å; R54-L56 PolarHBondContact O-N 3.42Å; R54-L57 PolarHBondContact O-N 3.27Å; R54-E58 HydrophobicContact CG-CG 4.39Å; R54-E58 IonicContact CZ-OE1 3.24Å; R54-E58 IonicContact NE-OE1 2.93Å; R54-E58 PolarHBondContact NE-OE1 3.28Å; R54-E58 IonicContact NH2-OE1 3.69Å; R54-E58 PolarHBondContact NH2-OE1 2.77Å; R54-E58 WeakPolarHBondContact O-CB 3.38Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 2.9Å
55	S	90.2	Very high	88.9	Confident	14 Å²	14	64 Å²	64	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-42.8	177.6	-175.7	0	0	0	0	111	L51 A52 E58 K59 I215	L51-S55 WeakPolarHBondContact O-CB 3.29Å; L51-S55 PolarHBondContact O-N 3Å; A52-S55 PolarHBondContact O-N 3.31Å; S55-E58 PolarHBondContact O-N 2.6Å; S55-K59 WeakPolarHBondContact O-CB 3.42Å; S55-K59 PolarHBondContact O-N 2.67Å; S55-I215 PolarHBondContact OG-O 2.77Å
56	L	91.3	Very high	88.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-43.8	175.6	-176.3	61.1	0	0	0	112.7	A52 I53 R54 K59 A60 I68 Q74 L75 F78 L190 L193	A52-L56 WeakPolarHBondContact O-CB 3.14Å; A52-L56 PolarHBondContact O-N 3.48Å; I53-L56 PolarHBondContact O-N 3.47Å; R54-L56 VanDerWaalsContact C-N 3.28Å; R54-L56 PolarHBondContact O-N 3.42Å; L56-K59 PolarHBondContact O-N 3.03Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.25Å; L56-I68 HydrophobicContact CD1-CD1 3.42Å; L56-I68 VanDerWaalsContact CD1-CD1 3.42Å; L56-I68 HydrophobicContact CD1-CG2 4.42Å; L56-I68 HydrophobicContact CG-CD1 4.16Å; L56-Q74 HydrophobicContact CD1-CB 4.02Å; L56-L75 HydrophobicContact CD1-CB 3.91Å; L56-L75 HydrophobicContact CD1-CD1 4.26Å; L56-L75 HydrophobicContact CD2-CD1 4Å; L56-F78 HydrophobicContact CD2-CB 3.92Å; L56-F78 HydrophobicContact CD2-CD1 4.13Å; L56-F78 HydrophobicContact CD2-CG 3.95Å; L56-L190 HydrophobicContact CD2-CD2 3.9Å; L56-L193 HydrophobicContact CD2-CD1 3.62Å; L56-L193 HydrophobicContact CG-CD1 3.89Å
57	L	90.5	Very high	87.8	Confident	39 Å²	39	70 Å²	70	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-39.7	177.5	-70.1	170.7	0	0	0	112.4	I53 R54 K59 A60 M61 G189 L193	I53-L57 HydrophobicContact CG2-CD1 3.79Å; I53-L57 HydrophobicContact CG2-CG 4.34Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 VanDerWaalsContact O-CG 3.27Å; I53-L57 WeakPolarHBondContact O-CG 2.98Å; I53-L57 PolarHBondContact O-N 2.75Å; R54-L57 PolarHBondContact O-N 3.27Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.38Å; L57-A60 WeakPolarHBondContact O-CB 3.47Å; L57-A60 PolarHBondContact O-N 2.8Å; L57-M61 WeakPolarHBondContact O-CB 3.12Å; L57-M61 VanDerWaalsContact O-CG 3.24Å; L57-M61 WeakPolarHBondContact O-CG 2.84Å; L57-M61 PolarHBondContact O-N 3.38Å; L57-G189 VanDerWaalsContact CD2-O 3.27Å; L57-G189 WeakPolarHBondContact CD2-O 3.27Å; L57-L193 HydrophobicContact CD2-CD2 3.91Å; L57-L193 HydrophobicContact CD2-CG 4.23Å
58	E	89.1	Confident	87.5	Confident	68 Å²	68	65.8 Å²	65.8	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-44.3	174.2	-75.7	179.3	-167.6	0	0	110.8	R54 S55 M61 S62 K218	R54-E58 HydrophobicContact CG-CG 4.39Å; R54-E58 IonicContact CZ-OE1 3.24Å; R54-E58 IonicContact NE-OE1 2.93Å; R54-E58 PolarHBondContact NE-OE1 3.28Å; R54-E58 IonicContact NH2-OE1 3.69Å; R54-E58 PolarHBondContact NH2-OE1 2.77Å; R54-E58 WeakPolarHBondContact O-CB 3.38Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 2.9Å; S55-E58 PolarHBondContact O-N 2.6Å; E58-M61 PolarHBondContact O-N 2.92Å; E58-S62 PolarHBondContact O-N 3.46Å; E58-K218 IonicContact OE2-NZ 2.72Å; E58-K218 PolarHBondContact OE2-NZ 3.13Å
59	K	86.9	Confident	87.1	Confident	75 Å²	75	66 Å²	66	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-48	173.9	178.5	60.9	174.7	-180	0	111.3	S55 L56 L57 M61 S62 T63 D72 Q74	S55-K59 WeakPolarHBondContact O-CB 3.42Å; S55-K59 PolarHBondContact O-N 2.67Å; L56-K59 PolarHBondContact O-N 3.03Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.38Å; K59-M61 VanDerWaalsContact C-N 3.3Å; K59-M61 PolarHBondContact O-N 3.05Å; K59-S62 PolarHBondContact O-N 2.92Å; K59-S62 VanDerWaalsContact O-N 3.1Å; K59-S62 PolarHBondContact O-OG 2.93Å; K59-T63 PolarHBondContact O-N 2.99Å; K59-T63 PolarHBondContact O-OG1 2.89Å; K59-D72 WeakPolarHBondContact CE-OD2 3.49Å; K59-Q74 HydrophobicContact CB-CG 4.2Å; K59-Q74 HydrophobicContact CG-CG 4.47Å
60	A	87	Confident	86.7	Confident	3 Å²	3	66.8 Å²	66.8	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-57.5	-43.3	177.6	0	0	0	0	0	112.7	L56 L57 S62 T63 R66 I68 L193	L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.25Å; L57-A60 WeakPolarHBondContact O-CB 3.47Å; L57-A60 PolarHBondContact O-N 2.8Å; A60-S62 VanDerWaalsContact C-N 3.27Å; A60-S62 PolarHBondContact O-N 3.35Å; A60-T63 PolarHBondContact O-N 3.3Å; A60-T63 VanDerWaalsContact O-O 3.13Å; A60-R66 WeakPolarHBondContact O-CA 3.46Å; A60-I68 HydrophobicContact CB-CD1 3.81Å; A60-I68 HydrophobicContact CB-CG1 4.42Å; A60-L193 HydrophobicContact CB-CD2 3.16Å
61	M	84.7	Confident	86.3	Confident	147 Å²	147	67.7 Å²	67.7	72%	0.724	35%	0.346	S	S	*	.	H	α-helix	trans	-70.2	-24.4	180	-71.5	177.8	66.1	0	0	112.8	L57 E58 K59	L57-M61 WeakPolarHBondContact O-CB 3.12Å; L57-M61 VanDerWaalsContact O-CG 3.24Å; L57-M61 WeakPolarHBondContact O-CG 2.84Å; L57-M61 PolarHBondContact O-N 3.38Å; E58-M61 PolarHBondContact O-N 2.92Å; K59-M61 VanDerWaalsContact C-N 3.3Å; K59-M61 PolarHBondContact O-N 3.05Å
62	S	84.8	Confident	86.2	Confident	87 Å²	87	65.5 Å²	65.5	61%	0.608	34%	0.335	S	S	*	.	H	α-helix	trans	-79.9	-17.3	174.4	71.6	0	0	0	0	113.8	E58 K59 A60	E58-S62 PolarHBondContact O-N 3.46Å; K59-S62 PolarHBondContact O-N 2.92Å; K59-S62 VanDerWaalsContact O-N 3.1Å; K59-S62 PolarHBondContact O-OG 2.93Å; A60-S62 VanDerWaalsContact C-N 3.27Å; A60-S62 PolarHBondContact O-N 3.35Å
63	T	84.1	Confident	86	Confident	46 Å²	46	67.6 Å²	67.6	28%	0.282	35%	0.352	S	S	.	.	S	Bend	trans	-93.9	128.5	178.3	-52.3	0	0	0	0	109.7	K59 A60 D65 R66	K59-T63 PolarHBondContact O-N 2.99Å; K59-T63 PolarHBondContact O-OG1 2.89Å; A60-T63 PolarHBondContact O-N 3.3Å; A60-T63 VanDerWaalsContact O-O 3.13Å; T63-D65 VanDerWaalsContact C-N 3.34Å; T63-D65 PolarHBondContact O-N 3.12Å; T63-R66 PolarHBondContact O-N 3.13Å
64	E	73.9	Confident	86	Confident	193 Å²	193	69.3 Å²	69.3	90%	0.902	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-46.2	-173.6	-69.7	-175.5	163.2	0	0	113.4
65	D	76.9	Confident	86	Confident	129 Å²	129	61.7 Å²	61.7	69%	0.69	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0.6	-179	-67.5	-32.2	0	0	0	114.3	T63 C67 N194	T63-D65 VanDerWaalsContact C-N 3.34Å; T63-D65 PolarHBondContact O-N 3.12Å; D65-C67 HydrophobicContact CB-CB 4.2Å; D65-C67 PolarHBondContact O-N 3.46Å; D65-N194 PolarHBondContact O-ND2 2.76Å
66	R	80.8	Confident	86.1	Confident	124 Å²	124	63.2 Å²	63.2	47%	0.468	34%	0.338	S	S	.	.			trans	50.4	21.5	-169.3	-50.3	-177.7	-176.7	-172.2	-0.3	113.6	A60 T63 N194	A60-R66 WeakPolarHBondContact O-CA 3.46Å; T63-R66 PolarHBondContact O-N 3.13Å; R66-N194 PolarHBondContact O-N 3.24Å
67	C	82.7	Confident	86.2	Confident	45 Å²	45	63.6 Å²	63.6	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.9	177.1	-164.7	0	0	0	0	109	D65 N194	D65-C67 HydrophobicContact CB-CB 4.2Å; D65-C67 PolarHBondContact O-N 3.46Å; C67-N194 CarbonylContact C-O 3.46Å; C67-N194 VanDerWaalsContact CA-O 3.25Å; C67-N194 WeakPolarHBondContact CA-O 3.39Å
68	I	86.2	Confident	86.4	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.3	177.4	-55.3	-172.4	0	0	0	107.7	L56 A60 D72 L75 L193 N194 C195 E196	L56-I68 HydrophobicContact CD1-CD1 3.42Å; L56-I68 VanDerWaalsContact CD1-CD1 3.42Å; L56-I68 HydrophobicContact CD1-CG2 4.42Å; L56-I68 HydrophobicContact CG-CD1 4.16Å; A60-I68 HydrophobicContact CB-CD1 3.81Å; A60-I68 HydrophobicContact CB-CG1 4.42Å; I68-D72 HydrophobicContact CG2-CB 3.42Å; I68-D72 VanDerWaalsContact CG2-CB 3.42Å; I68-L75 HydrophobicContact CG2-CB 3.95Å; I68-L75 HydrophobicContact CG2-CD2 4.14Å; I68-L193 HydrophobicContact CD1-CD2 3.87Å; I68-N194 PolarHBondContact N-O 3.12Å; I68-C195 WeakPolarHBondContact O-CA 3.22Å; I68-E196 PolarHBondContact O-N 3.12Å
69	G	85.3	Confident	86.7	Confident	40 Å²	40	58.9 Å²	58.9	41%	0.412	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	156.2	176.4	0	0	0	0	0	112.1	E71 D72 L75	G69-E71 PolarHBondContact O-N 3.23Å; G69-D72 VanDerWaalsContact O-CB 3.31Å; G69-D72 WeakPolarHBondContact O-CB 3.47Å; G69-D72 PolarHBondContact O-N 3.42Å; G69-D72 VanDerWaalsContact O-N 3.14Å; G69-L75 WeakPolarHBondContact O-CD2 3.45Å
70	A	85.3	Confident	87	Confident	20 Å²	20	55.5 Å²	55.5	17%	0.165	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.4	179.6	0	0	0	0	0	113.8	D72 L197 F198	A70-D72 VanDerWaalsContact C-N 3.31Å; A70-D72 PolarHBondContact O-N 3.1Å; A70-L197 HydrophobicContact CB-CD2 4.47Å; A70-F198 HydrophobicContact CB-CD2 4.24Å
71	E	84.7	Confident	87.3	Confident	145 Å²	145	55.3 Å²	55.3	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-2.3	-177.7	-40	-51.3	150.6	0	0	113.7	G69 A73	G69-E71 PolarHBondContact O-N 3.23Å; E71-A73 PolarHBondContact O-N 3.48Å
72	D	89	Confident	87.9	Confident	29 Å²	29	48.6 Å²	48.6	16%	0.155	27%	0.268	C	S	.	.			trans	-65.8	128.9	-176	-178.2	-87.9	0	0	0	111.3	K59 I68 G69 A70 Q74 L75 I76	K59-D72 WeakPolarHBondContact CE-OD2 3.49Å; I68-D72 HydrophobicContact CG2-CB 3.42Å; I68-D72 VanDerWaalsContact CG2-CB 3.42Å; G69-D72 VanDerWaalsContact O-CB 3.31Å; G69-D72 WeakPolarHBondContact O-CB 3.47Å; G69-D72 PolarHBondContact O-N 3.42Å; G69-D72 VanDerWaalsContact O-N 3.14Å; A70-D72 VanDerWaalsContact C-N 3.31Å; A70-D72 PolarHBondContact O-N 3.1Å; D72-Q74 VanDerWaalsContact C-N 3.32Å; D72-Q74 PolarHBondContact O-N 3.23Å; D72-Q74 VanDerWaalsContact OD1-CB 3.29Å; D72-Q74 WeakPolarHBondContact OD1-CB 3.49Å; D72-Q74 PolarHBondContact OD1-N 3.3Å; D72-Q74 PolarHBondContact OD1-OE1 2.75Å; D72-Q74 VanDerWaalsContact OD1-OE1 3.11Å; D72-L75 HydrophobicContact CB-CB 4.13Å; D72-L75 WeakPolarHBondContact O-CB 3.43Å; D72-L75 PolarHBondContact O-N 3.32Å; D72-L75 VanDerWaalsContact O-N 3.14Å; D72-L75 PolarHBondContact OD1-N 2.95Å; D72-L75 VanDerWaalsContact OD1-N 3.15Å; D72-I76 WeakPolarHBondContact O-CG1 3.35Å; D72-I76 PolarHBondContact O-N 3.22Å
73	A	89.7	Confident	88.2	Confident	47 Å²	47	45.3 Å²	45.3	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-35.8	-173.1	0	0	0	0	0	112.3	E71 L75 N77 I215	E71-A73 PolarHBondContact O-N 3.48Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-N77 WeakPolarHBondContact O-CB 3.45Å; A73-N77 PolarHBondContact O-N 3.48Å; A73-I215 HydrophobicContact CB-CD1 3.7Å
74	Q	91.8	Very high	88.6	Confident	42 Å²	42	46.7 Å²	46.7	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-39.5	176.1	-69.4	77	-5.9	0	0	111.2	L56 K59 D72 N77 F78 I215	L56-Q74 HydrophobicContact CD1-CB 4.02Å; K59-Q74 HydrophobicContact CB-CG 4.2Å; K59-Q74 HydrophobicContact CG-CG 4.47Å; D72-Q74 VanDerWaalsContact C-N 3.32Å; D72-Q74 PolarHBondContact O-N 3.23Å; D72-Q74 VanDerWaalsContact OD1-CB 3.29Å; D72-Q74 WeakPolarHBondContact OD1-CB 3.49Å; D72-Q74 PolarHBondContact OD1-N 3.3Å; D72-Q74 PolarHBondContact OD1-OE1 2.75Å; D72-Q74 VanDerWaalsContact OD1-OE1 3.11Å; Q74-N77 PolarHBondContact O-N 3.19Å; Q74-F78 PolarHBondContact O-N 3.35Å; Q74-I215 HydrophobicContact CG-CG2 3.66Å
75	L	92.2	Very high	89.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-46.7	178	179.1	67.6	0	0	0	111.7	L56 I68 G69 D72 A73 N77 F78 F79 L197	L56-L75 HydrophobicContact CD1-CB 3.91Å; L56-L75 HydrophobicContact CD1-CD1 4.26Å; L56-L75 HydrophobicContact CD2-CD1 4Å; I68-L75 HydrophobicContact CG2-CB 3.95Å; I68-L75 HydrophobicContact CG2-CD2 4.14Å; G69-L75 WeakPolarHBondContact O-CD2 3.45Å; D72-L75 HydrophobicContact CB-CB 4.13Å; D72-L75 WeakPolarHBondContact O-CB 3.43Å; D72-L75 PolarHBondContact O-N 3.32Å; D72-L75 VanDerWaalsContact O-N 3.14Å; D72-L75 PolarHBondContact OD1-N 2.95Å; D72-L75 VanDerWaalsContact OD1-N 3.15Å; A73-L75 VanDerWaalsContact C-N 3.35Å; L75-N77 VanDerWaalsContact C-N 3.28Å; L75-N77 PolarHBondContact O-N 2.72Å; L75-F78 WeakPolarHBondContact O-CB 3.46Å; L75-F78 PolarHBondContact O-N 3.5Å; L75-F79 HydrophobicContact CD1-CE1 4.35Å; L75-F79 HydrophobicContact CD1-CE2 3.98Å; L75-F79 HydrophobicContact CD1-CZ 3.8Å; L75-F79 HydrophobicContact CD2-CE2 3.93Å; L75-F79 HydrophobicContact CD2-CZ 4.23Å; L75-F79 HydrophobicContact CG-CD2 4.22Å; L75-F79 HydrophobicContact CG-CE2 3.59Å; L75-F79 HydrophobicContact CG-CZ 3.93Å; L75-F79 WeakPolarHBondContact O-CD2 3.5Å; L75-F79 PolarHBondContact O-N 3.39Å; L75-L197 HydrophobicContact CD2-CD2 3.56Å
76	I	91.9	Very high	90.4	Very high	46 Å²	46	31.9 Å²	31.9	24%	0.236	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-45.2	175.3	-67.3	169.1	0	0	0	110	D72 F78 F79 V80 P208	D72-I76 WeakPolarHBondContact O-CG1 3.35Å; D72-I76 PolarHBondContact O-N 3.22Å; I76-F78 VanDerWaalsContact C-N 3.31Å; I76-F78 PolarHBondContact O-N 3.1Å; I76-F79 WeakPolarHBondContact O-CB 3.29Å; I76-F79 PolarHBondContact O-N 3.02Å; I76-F79 VanDerWaalsContact O-N 3.11Å; I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 3.34Å; I76-V80 VanDerWaalsContact O-N 3.07Å; I76-P208 VanDerWaalsContact CG2-CD 3.47Å; I76-P208 HydrophobicContact CG2-CG 3.64Å
77	N	93	Very high	90.9	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-37.5	179.1	-157.7	35.3	0	0	0	112.4	A73 Q74 L75 T81 V211 D212	A73-N77 WeakPolarHBondContact O-CB 3.45Å; A73-N77 PolarHBondContact O-N 3.48Å; Q74-N77 PolarHBondContact O-N 3.19Å; L75-N77 VanDerWaalsContact C-N 3.28Å; L75-N77 PolarHBondContact O-N 2.72Å; N77-T81 WeakPolarHBondContact O-CB 3.38Å; N77-T81 PolarHBondContact O-N 2.89Å; N77-T81 PolarHBondContact O-OG1 3.47Å; N77-V211 WeakPolarHBondContact OD1-CA 3.47Å; N77-V211 WeakPolarHBondContact OD1-CG1 3.36Å; N77-D212 PolarHBondContact ND2-O 2.9Å; N77-D212 PolarHBondContact OD1-N 3.03Å
78	F	95.2	Very high	91.3	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.013	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-44.9	171.6	167.6	-100.2	0	0	0	111.8	I53 L56 Q74 L75 I76 V80 T81 F82 I145 L150 L187 L190	I53-F78 HydrophobicContact CD1-CE2 4.24Å; I53-F78 HydrophobicContact CG1-CD2 3.76Å; I53-F78 HydrophobicContact CG1-CE2 3.55Å; L56-F78 HydrophobicContact CD2-CB 3.92Å; L56-F78 HydrophobicContact CD2-CD1 4.13Å; L56-F78 HydrophobicContact CD2-CG 3.95Å; Q74-F78 PolarHBondContact O-N 3.35Å; L75-F78 WeakPolarHBondContact O-CB 3.46Å; L75-F78 PolarHBondContact O-N 3.5Å; I76-F78 VanDerWaalsContact C-N 3.31Å; I76-F78 PolarHBondContact O-N 3.1Å; F78-V80 PolarHBondContact O-N 2.91Å; F78-T81 PolarHBondContact O-N 3.48Å; F78-F82 HydrophobicContact CE2-CB 4.33Å; F78-F82 HydrophobicContact CE2-CD2 4.42Å; F78-F82 HydrophobicContact CZ-CB 4.16Å; F78-F82 AromaticContact CZ-CD2 4Å; F78-F82 HydrophobicContact CZ-CD2 4Å; F78-F82 HydrophobicContact CZ-CG 4.35Å; F78-F82 WeakPolarHBondContact O-CB 3.06Å; F78-F82 PolarHBondContact O-N 3.03Å; F78-I145 HydrophobicContact CD1-CD1 4.35Å; F78-I145 HydrophobicContact CE1-CD1 3.74Å; F78-L150 HydrophobicContact CE1-CD2 4.3Å; F78-L150 HydrophobicContact CZ-CD2 3.97Å; F78-L187 HydrophobicContact CE2-CD2 3.81Å; F78-L187 HydrophobicContact CZ-CD2 3.81Å; F78-L190 HydrophobicContact CE1-CD1 3.95Å; F78-L190 HydrophobicContact CE2-CD1 3.84Å; F78-L190 HydrophobicContact CZ-CD1 3.36Å
79	F	94.6	Very high	91.5	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.022	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-46.2	178	-67.7	-45.5	0	0	0	112.3	L75 I76 T81 F82 E83 L141 R142 I145 L197	L75-F79 HydrophobicContact CD1-CE1 4.35Å; L75-F79 HydrophobicContact CD1-CE2 3.98Å; L75-F79 HydrophobicContact CD1-CZ 3.8Å; L75-F79 HydrophobicContact CD2-CE2 3.93Å; L75-F79 HydrophobicContact CD2-CZ 4.23Å; L75-F79 HydrophobicContact CG-CD2 4.22Å; L75-F79 HydrophobicContact CG-CE2 3.59Å; L75-F79 HydrophobicContact CG-CZ 3.93Å; L75-F79 WeakPolarHBondContact O-CD2 3.5Å; L75-F79 PolarHBondContact O-N 3.39Å; I76-F79 WeakPolarHBondContact O-CB 3.29Å; I76-F79 PolarHBondContact O-N 3.02Å; I76-F79 VanDerWaalsContact O-N 3.11Å; F79-T81 VanDerWaalsContact C-N 3.34Å; F79-T81 PolarHBondContact O-N 3.07Å; F79-F82 PolarHBondContact O-N 3.48Å; F79-E83 WeakPolarHBondContact O-CB 3.45Å; F79-E83 PolarHBondContact O-N 3.44Å; F79-L141 HydrophobicContact CB-CD2 4.41Å; F79-L141 HydrophobicContact CD1-CD2 3.55Å; F79-L141 HydrophobicContact CD1-CG 3.84Å; F79-L141 HydrophobicContact CE1-CD2 4.24Å; F79-L141 HydrophobicContact CE1-CG 4.03Å; F79-L141 HydrophobicContact CG-CD2 4.4Å; F79-R142 HydrophobicContact CE1-CG 4.18Å; F79-R142 HydrophobicContact CZ-CG 3.9Å; F79-I145 HydrophobicContact CD1-CD1 4.35Å; F79-I145 HydrophobicContact CE1-CD1 3.48Å; F79-I145 VanDerWaalsContact CE1-CD1 3.48Å; F79-I145 HydrophobicContact CZ-CD1 4.2Å; F79-L197 HydrophobicContact CZ-CD1 4.05Å; F79-L197 HydrophobicContact CZ-CD2 4.18Å
80	V	93.8	Very high	91.8	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-45.9	176.6	-178.3	0	0	0	0	110.9	I76 F78 F82 E83 K84 Q207 P208 V211	I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 3.34Å; I76-V80 VanDerWaalsContact O-N 3.07Å; F78-V80 PolarHBondContact O-N 2.91Å; V80-F82 PolarHBondContact O-N 3.47Å; V80-E83 PolarHBondContact O-N 3.42Å; V80-K84 WeakPolarHBondContact O-CG 3.49Å; V80-K84 PolarHBondContact O-N 2.89Å; V80-Q207 HydrophobicContact CG2-CG 3.63Å; V80-P208 HydrophobicContact CG2-CG 3.97Å; V80-P208 WeakPolarHBondContact CG2-O 3.34Å; V80-V211 HydrophobicContact CB-CG2 4.32Å; V80-V211 HydrophobicContact CG1-CG2 3.73Å
81	T	94.2	Very high	91.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-42.1	-178.5	-55	0	0	0	0	111.4	L48 A52 N77 F78 F79 K84 A85 V211	L48-T81 HydrophobicContact CB-CG2 4.33Å; L48-T81 HydrophobicContact CD2-CG2 4.22Å; L48-T81 HydrophobicContact CG-CG2 3.93Å; A52-T81 HydrophobicContact CB-CG2 4.14Å; N77-T81 WeakPolarHBondContact O-CB 3.38Å; N77-T81 PolarHBondContact O-N 2.89Å; N77-T81 PolarHBondContact O-OG1 3.47Å; F78-T81 PolarHBondContact O-N 3.48Å; F79-T81 VanDerWaalsContact C-N 3.34Å; F79-T81 PolarHBondContact O-N 3.07Å; T81-K84 PolarHBondContact O-N 3.12Å; T81-A85 WeakPolarHBondContact O-CB 3.27Å; T81-A85 PolarHBondContact O-N 3.46Å; T81-V211 WeakPolarHBondContact OG1-CG1 3.41Å; T81-V211 WeakPolarHBondContact OG1-CG2 3.28Å
82	F	95.3	Very high	91.3	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-42.9	175.9	-176.6	-84.2	0	0	0	111.7	F78 F79 V80 K84 A85 I86 W140 L141 L150 V154 F183 L187	F78-F82 HydrophobicContact CE2-CB 4.33Å; F78-F82 HydrophobicContact CE2-CD2 4.42Å; F78-F82 HydrophobicContact CZ-CB 4.16Å; F78-F82 AromaticContact CZ-CD2 4Å; F78-F82 HydrophobicContact CZ-CD2 4Å; F78-F82 HydrophobicContact CZ-CG 4.35Å; F78-F82 WeakPolarHBondContact O-CB 3.06Å; F78-F82 PolarHBondContact O-N 3.03Å; F79-F82 PolarHBondContact O-N 3.48Å; V80-F82 PolarHBondContact O-N 3.47Å; F82-K84 VanDerWaalsContact C-N 3.32Å; F82-K84 PolarHBondContact O-N 3.16Å; F82-A85 WeakPolarHBondContact O-CB 3.5Å; F82-A85 PolarHBondContact O-N 2.91Å; F82-A85 VanDerWaalsContact O-N 3.13Å; F82-I86 HydrophobicContact CE1-CB 4.36Å; F82-I86 HydrophobicContact CE1-CD1 4.14Å; F82-I86 HydrophobicContact CE1-CG2 4.44Å; F82-I86 HydrophobicContact CZ-CD1 4.41Å; F82-I86 PolarHBondContact O-N 3.12Å; F82-W140 HydrophobicContact CE1-CZ3 4.18Å; F82-W140 HydrophobicContact CZ-CZ3 4.37Å; F82-L141 HydrophobicContact CB-CD2 4.38Å; F82-L141 HydrophobicContact CD1-CD1 3.62Å; F82-L141 HydrophobicContact CD1-CD2 3.63Å; F82-L141 HydrophobicContact CD1-CG 4.25Å; F82-L141 HydrophobicContact CD2-CD1 4.43Å; F82-L141 HydrophobicContact CE1-CD1 3.67Å; F82-L141 HydrophobicContact CE1-CD2 4.3Å; F82-L141 HydrophobicContact CE2-CD1 4.46Å; F82-L141 HydrophobicContact CG-CD1 4.03Å; F82-L141 HydrophobicContact CG-CD2 4.22Å; F82-L141 HydrophobicContact CZ-CD1 4.11Å; F82-L150 HydrophobicContact CD2-CD2 4.39Å; F82-L150 HydrophobicContact CE2-CD1 4.09Å; F82-L150 HydrophobicContact CE2-CD2 4.08Å; F82-L150 HydrophobicContact CE2-CG 4.28Å; F82-L150 HydrophobicContact CZ-CD1 3.8Å; F82-L150 HydrophobicContact CZ-CG 4.48Å; F82-V154 HydrophobicContact CE2-CG2 4.05Å; F82-V154 HydrophobicContact CZ-CG2 3.9Å; F82-F183 AromaticContact CD2-CZ 3.83Å; F82-F183 HydrophobicContact CD2-CZ 3.83Å; F82-F183 HydrophobicContact CE2-CE1 4.27Å; F82-F183 AromaticContact CE2-CZ 3.89Å; F82-F183 HydrophobicContact CE2-CZ 3.89Å; F82-L187 HydrophobicContact CD2-CD1 4.46Å; F82-L187 HydrophobicContact CD2-CD2 4.13Å; F82-L187 HydrophobicContact CE2-CD1 3.81Å; F82-L187 HydrophobicContact CE2-CD2 4.24Å
83	E	92.9	Very high	90.2	Very high	17 Å²	17	29 Å²	29	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-40.2	177	-170.8	174.1	149.9	0	0	111.4	F79 V80 I86 R87 R138 Q207	F79-E83 WeakPolarHBondContact O-CB 3.45Å; F79-E83 PolarHBondContact O-N 3.44Å; V80-E83 PolarHBondContact O-N 3.42Å; E83-I86 WeakPolarHBondContact O-CG2 3.4Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 WeakPolarHBondContact O-CG 3.39Å; E83-R87 PolarHBondContact O-N 3.19Å; E83-R87 IonicContact OE1-CZ 3.02Å; E83-R87 IonicContact OE1-NH1 2.87Å; E83-R87 PolarHBondContact OE1-NH1 2.88Å; E83-R87 IonicContact OE1-NH2 2.66Å; E83-R87 PolarHBondContact OE1-NH2 3.38Å; E83-R138 IonicContact OE1-NE 3.65Å; E83-R138 IonicContact OE1-NH2 2.81Å; E83-R138 PolarHBondContact OE1-NH2 2.93Å; E83-R138 IonicContact OE2-CZ 2.7Å; E83-R138 IonicContact OE2-NE 3.7Å; E83-R138 PolarHBondContact OE2-NE 3.5Å; E83-R138 IonicContact OE2-NH2 3.71Å; E83-R138 PolarHBondContact OE2-NH2 3.26Å; E83-Q207 PolarHBondContact OE2-NE2 3.32Å
84	K	92.5	Very high	88.7	Confident	76 Å²	76	31.5 Å²	31.5	33%	0.33	17%	0.169	S	C	.	.	H	α-helix	trans	-65.2	-42.8	172.2	-67.5	-170.6	-171.8	-137.3	0	111.2	L45 V80 T81 F82 R87 H88 A209 D210 V211	L45-K84 HydrophobicContact CD1-CB 3.9Å; V80-K84 WeakPolarHBondContact O-CG 3.49Å; V80-K84 PolarHBondContact O-N 2.89Å; T81-K84 PolarHBondContact O-N 3.12Å; F82-K84 VanDerWaalsContact C-N 3.32Å; F82-K84 PolarHBondContact O-N 3.16Å; K84-R87 PolarHBondContact O-N 2.94Å; K84-H88 PolarHBondContact O-N 3.42Å; K84-H88 VanDerWaalsContact O-N 3.15Å; K84-A209 WeakPolarHBondContact CE-O 3.35Å; K84-A209 PolarHBondContact NZ-O 2.91Å; K84-D210 IonicContact NZ-OD1 2.8Å; K84-D210 PolarHBondContact NZ-OD1 3.3Å; K84-V211 HydrophobicContact CD-CG2 4.12Å
85	A	94.1	Very high	87.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-45.7	179.7	0	0	0	0	0	113.2	L45 T81 F82 H88 L173 F183	L45-A85 HydrophobicContact CD2-CB 4.5Å; L45-A85 HydrophobicContact CG-CB 4.32Å; T81-A85 WeakPolarHBondContact O-CB 3.27Å; T81-A85 PolarHBondContact O-N 3.46Å; F82-A85 WeakPolarHBondContact O-CB 3.5Å; F82-A85 PolarHBondContact O-N 2.91Å; F82-A85 VanDerWaalsContact O-N 3.13Å; A85-H88 PolarHBondContact O-N 3.41Å; A85-L173 HydrophobicContact CB-CD1 4.31Å; A85-F183 HydrophobicContact CB-CE2 3.96Å; A85-F183 HydrophobicContact CB-CZ 3.77Å
86	I	93.3	Very high	85.3	Confident	11 Å²	11	40.7 Å²	40.7	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-69.7	-33.3	178.9	-164.7	159.2	0	0	0	111.6	F82 E83 H88 I103 W140 L157 Y168 L174	F82-I86 HydrophobicContact CE1-CB 4.36Å; F82-I86 HydrophobicContact CE1-CD1 4.14Å; F82-I86 HydrophobicContact CE1-CG2 4.44Å; F82-I86 HydrophobicContact CZ-CD1 4.41Å; F82-I86 PolarHBondContact O-N 3.12Å; E83-I86 WeakPolarHBondContact O-CG2 3.4Å; I86-H88 VanDerWaalsContact C-N 3.33Å; I86-H88 PolarHBondContact O-N 2.85Å; I86-I103 HydrophobicContact CD1-CG2 4.04Å; I86-I103 HydrophobicContact CG1-CG2 4.19Å; I86-I103 HydrophobicContact CG2-CD1 4.46Å; I86-W140 HydrophobicContact CD1-CZ3 4.28Å; I86-L157 HydrophobicContact CD1-CD1 4.41Å; I86-Y168 WeakPolarHBondContact O-CE1 3.41Å; I86-Y168 VanDerWaalsContact O-CZ 3.23Å; I86-Y168 PolarHBondContact O-OH 3.07Å; I86-L174 HydrophobicContact CG1-CD1 3.89Å
87	R	90.7	Very high	84.1	Confident	29 Å²	29	46.5 Å²	46.5	11%	0.109	24%	0.235	C	C	.	.	H	α-helix	trans	-76.9	-16.7	178.1	-74.2	-178.6	-179.8	149.2	14.2	114.5	E83 K84 G89 S90 E99 I103	E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 WeakPolarHBondContact O-CG 3.39Å; E83-R87 PolarHBondContact O-N 3.19Å; E83-R87 IonicContact OE1-CZ 3.02Å; E83-R87 IonicContact OE1-NH1 2.87Å; E83-R87 PolarHBondContact OE1-NH1 2.88Å; E83-R87 IonicContact OE1-NH2 2.66Å; E83-R87 PolarHBondContact OE1-NH2 3.38Å; K84-R87 PolarHBondContact O-N 2.94Å; R87-G89 PolarHBondContact O-N 3.23Å; R87-G89 VanDerWaalsContact O-N 3.13Å; R87-S90 WeakPolarHBondContact O-CB 3.47Å; R87-S90 PolarHBondContact O-N 3.01Å; R87-E99 WeakPolarHBondContact CD-OE2 3.43Å; R87-I103 HydrophobicContact CG-CD1 3.64Å
88	H	92.3	Very high	83.4	Confident	24 Å²	24	49.4 Å²	49.4	11%	0.111	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	115.7	-171.3	178.7	-81.5	0	0	0	112.7	L45 K84 A85 I86 W171 A172 L173	L45-H88 HydrophobicContact CD2-CB 3.46Å; L45-H88 VanDerWaalsContact CD2-CB 3.46Å; K84-H88 PolarHBondContact O-N 3.42Å; K84-H88 VanDerWaalsContact O-N 3.15Å; A85-H88 PolarHBondContact O-N 3.41Å; I86-H88 VanDerWaalsContact C-N 3.33Å; I86-H88 PolarHBondContact O-N 2.85Å; H88-W171 AromaticContact CE1-CE3 3.58Å; H88-W171 AromaticContact CE1-CZ3 3.49Å; H88-W171 VanDerWaalsContact CE1-CZ3 3.49Å; H88-W171 WeakPolarHBondContact CE1-CZ3 3.37Å; H88-W171 AromaticContact ND1-CZ3 3.99Å; H88-W171 AromaticContact NE2-CZ3 3.76Å; H88-A172 WeakPolarHBondContact O-CA 3.08Å; H88-A172 WeakPolarHBondContact O-CB 3.41Å; H88-L173 HydrophobicContact CB-CB 4.2Å; H88-L173 PolarHBondContact ND1-N 2.93Å; H88-L173 PolarHBondContact O-N 3.31Å
89	G	90.5	Very high	82.8	Confident	4 Å²	4	50.4 Å²	50.4	4%	0.041	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	20.2	-178.6	0	0	0	0	0	114	R87 Y168 E169 W171	R87-G89 PolarHBondContact O-N 3.23Å; R87-G89 VanDerWaalsContact O-N 3.13Å; G89-Y168 CarbonylContact O-C 3.56Å; G89-Y168 WeakPolarHBondContact O-CA 3.43Å; G89-E169 WeakPolarHBondContact O-CB 3.36Å; G89-E169 PolarHBondContact O-N 3.28Å; G89-W171 VanDerWaalsContact CA-CH2 3.45Å
90	S	90.5	Very high	82.4	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.021	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-57.6	142.5	165.8	-179.2	0	0	0	0	110.4	R87 N92 T93	R87-S90 WeakPolarHBondContact O-CB 3.47Å; R87-S90 PolarHBondContact O-N 3.01Å; S90-N92 VanDerWaalsContact C-N 3.34Å; S90-T93 WeakPolarHBondContact O-CG2 3.27Å
91	R	84.8	Confident	82.2	Confident	109 Å²	109	52.1 Å²	52.1	41%	0.411	26%	0.261	S	S	.	.	S	Bend	trans	-71	-28.9	-179.4	-63.8	-168.3	171.9	-89	3.9	113.2	D165 I166 Y167 Y168 E169	R91-D165 PolarHBondContact NE-O 2.81Å; R91-I166 WeakPolarHBondContact CD-O 3.42Å; R91-Y167 PolarHBondContact N-O 3.42Å; R91-Y168 PolarHBondContact NE-O 2.73Å; R91-E169 HydrophobicContact CG-CG 4.03Å; R91-E169 WeakPolarHBondContact CG-OE1 3.27Å; R91-E169 IonicContact CZ-OE1 2.83Å; R91-E169 IonicContact CZ-OE2 3.84Å; R91-E169 IonicContact NH1-OE1 2.78Å; R91-E169 PolarHBondContact NH1-OE1 2.91Å; R91-E169 IonicContact NH1-OE2 3.59Å; R91-E169 PolarHBondContact NH1-OE2 2.93Å; R91-E169 IonicContact NH2-OE2 3.44Å
92	N	75.6	Confident	82.1	Confident	82 Å²	82	52.7 Å²	52.7	44%	0.439	26%	0.264	S	S	.	.			trans	-103.5	53.5	-172.9	-78.4	-26.8	0	0	0	113	S90 A94 Q98 E99 D102	S90-N92 VanDerWaalsContact C-N 3.34Å; N92-A94 PolarHBondContact O-N 3.31Å; N92-Q98 HydrophobicContact CB-CG 4.41Å; N92-E99 VanDerWaalsContact O-CG 3.22Å; N92-E99 WeakPolarHBondContact O-CG 3.46Å; N92-D102 WeakPolarHBondContact CB-OD2 3.38Å; N92-D102 PolarHBondContact ND2-OD2 2.91Å
93	T	64.9	Low	81.9	Confident	93 Å²	93	52.5 Å²	52.5	57%	0.571	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.1	-176.6	49.5	0	0	0	0	115.6	S90 V95 E99	S90-T93 WeakPolarHBondContact O-CG2 3.27Å; T93-V95 VanDerWaalsContact C-N 3.26Å; T93-V95 PolarHBondContact O-N 2.92Å; T93-E99 WeakPolarHBondContact CA-OE1 3.39Å
94	A	58.1	Low	82	Confident	100 Å²	100	51.9 Å²	51.9	83%	0.826	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.2	-173.5	0	0	0	0	0	113.5	N92	N92-A94 PolarHBondContact O-N 3.31Å
95	V	59.1	Low	82	Confident	87 Å²	87	51.6 Å²	51.6	53%	0.527	26%	0.26	S	S	.	.			trans	-135.4	96.6	-176.6	-174.2	0	0	0	0	108.7	T93 K97 Q98 E99	T93-V95 VanDerWaalsContact C-N 3.26Å; T93-V95 PolarHBondContact O-N 2.92Å; V95-K97 PolarHBondContact O-N 3Å; V95-Q98 HydrophobicContact CB-CB 3.98Å; V95-Q98 HydrophobicContact CG1-CB 4.22Å; V95-Q98 WeakPolarHBondContact O-CA 3.46Å; V95-Q98 VanDerWaalsContact O-CB 3.27Å; V95-Q98 WeakPolarHBondContact O-CB 3.5Å; V95-Q98 PolarHBondContact O-N 3.43Å; V95-E99 PolarHBondContact O-N 2.89Å
96	W	54.4	Low	82	Confident	149 Å²	149	51.6 Å²	51.6	56%	0.564	26%	0.26	S	S	*	.	H	α-helix	trans	-41.9	-44	-178.5	-179.6	-51.6	0	0	0	113.5	Q98 E99	W96-Q98 VanDerWaalsContact C-N 3.29Å; W96-Q98 PolarHBondContact O-N 3.28Å; W96-E99 PolarHBondContact O-N 3.21Å
97	K	67.4	Low	82.1	Confident	168 Å²	168	51 Å²	51	73%	0.73	26%	0.257	S	S	*	.	H	α-helix	trans	-65.1	-31.1	-179.6	-71.9	-174.3	178.9	180	0	113.2	V95 Q101	V95-K97 PolarHBondContact O-N 3Å; K97-Q101 PolarHBondContact O-N 3.09Å
98	Q	76.7	Confident	82.3	Confident	68 Å²	68	53.2 Å²	53.2	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-72.5	-37.7	179.4	-164.7	59.7	44.8	0	0	111.3	N92 V95 W96 A100 Q101 D102	N92-Q98 HydrophobicContact CB-CG 4.41Å; V95-Q98 HydrophobicContact CB-CB 3.98Å; V95-Q98 HydrophobicContact CG1-CB 4.22Å; V95-Q98 WeakPolarHBondContact O-CA 3.46Å; V95-Q98 VanDerWaalsContact O-CB 3.27Å; V95-Q98 WeakPolarHBondContact O-CB 3.5Å; V95-Q98 PolarHBondContact O-N 3.43Å; W96-Q98 VanDerWaalsContact C-N 3.29Å; W96-Q98 PolarHBondContact O-N 3.28Å; Q98-A100 VanDerWaalsContact C-N 3.31Å; Q98-A100 PolarHBondContact O-N 3.19Å; Q98-Q101 WeakPolarHBondContact O-CB 3.5Å; Q98-Q101 PolarHBondContact O-N 3.39Å; Q98-Q101 VanDerWaalsContact O-N 3.13Å; Q98-D102 PolarHBondContact NE2-OD1 2.88Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.14Å; Q98-D102 WeakPolarHBondContact O-CB 3.36Å; Q98-D102 PolarHBondContact O-N 3.49Å
99	E	82.8	Confident	82.4	Confident	24 Å²	24	57.7 Å²	57.7	11%	0.112	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-44.9	177	-61.8	175.1	-163.3	0	0	112	R87 N92 T93 V95 W96 Q101 D102 I103	R87-E99 WeakPolarHBondContact CD-OE2 3.43Å; N92-E99 VanDerWaalsContact O-CG 3.22Å; N92-E99 WeakPolarHBondContact O-CG 3.46Å; T93-E99 WeakPolarHBondContact CA-OE1 3.39Å; V95-E99 PolarHBondContact O-N 2.89Å; W96-E99 PolarHBondContact O-N 3.21Å; E99-Q101 VanDerWaalsContact C-N 3.32Å; E99-Q101 PolarHBondContact O-N 3.45Å; E99-D102 PolarHBondContact O-N 3.47Å; E99-I103 VanDerWaalsContact O-CG1 3.28Å; E99-I103 WeakPolarHBondContact O-CG1 3.4Å; E99-I103 PolarHBondContact O-N 3.47Å
100	A	86.6	Confident	82.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-38.6	178.8	0	0	0	0	0	111.9	Q98 W104 V134 L137	Q98-A100 VanDerWaalsContact C-N 3.31Å; Q98-A100 PolarHBondContact O-N 3.19Å; A100-W104 WeakPolarHBondContact O-CB 3.45Å; A100-W104 PolarHBondContact O-N 3.11Å; A100-V134 HydrophobicContact CB-CB 4.49Å; A100-V134 HydrophobicContact CB-CG2 3.57Å; A100-L137 HydrophobicContact CB-CD1 3.8Å; A100-L137 WeakPolarHBondContact O-CD1 3.48Å
101	Q	89.8	Confident	82.7	Confident	44 Å²	44	57.8 Å²	57.8	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-44.3	174.6	-178.1	175.2	17.1	0	0	111.3	K97 Q98 E99 W104 Q105 Y133	K97-Q101 PolarHBondContact O-N 3.09Å; Q98-Q101 WeakPolarHBondContact O-CB 3.5Å; Q98-Q101 PolarHBondContact O-N 3.39Å; Q98-Q101 VanDerWaalsContact O-N 3.13Å; E99-Q101 VanDerWaalsContact C-N 3.32Å; E99-Q101 PolarHBondContact O-N 3.45Å; Q101-W104 PolarHBondContact O-N 3.32Å; Q101-Q105 HydrophobicContact CG-CG 4.48Å; Q101-Q105 WeakPolarHBondContact O-CG 3.32Å; Q101-Q105 PolarHBondContact O-N 3.23Å; Q101-Y133 HydrophobicContact CB-CD1 4.3Å; Q101-Y133 HydrophobicContact CB-CD2 3.55Å; Q101-Y133 HydrophobicContact CB-CE1 4.48Å; Q101-Y133 HydrophobicContact CB-CE2 3.77Å; Q101-Y133 HydrophobicContact CB-CG 3.84Å; Q101-Y133 HydrophobicContact CG-CD1 4.26Å; Q101-Y133 HydrophobicContact CG-CD2 3.87Å; Q101-Y133 HydrophobicContact CG-CE1 3.97Å; Q101-Y133 HydrophobicContact CG-CE2 3.54Å; Q101-Y133 HydrophobicContact CG-CG 4.21Å; Q101-Y133 PolarHBondContact NE2-OH 3.46Å
102	D	91.2	Very high	83	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-44.5	-178.3	-71.7	-4	0	0	0	111.3	N92 Q98 E99 W104 Q105 M106 Y167	N92-D102 WeakPolarHBondContact CB-OD2 3.38Å; N92-D102 PolarHBondContact ND2-OD2 2.91Å; Q98-D102 PolarHBondContact NE2-OD1 2.88Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.14Å; Q98-D102 WeakPolarHBondContact O-CB 3.36Å; Q98-D102 PolarHBondContact O-N 3.49Å; E99-D102 PolarHBondContact O-N 3.47Å; D102-W104 VanDerWaalsContact C-N 3.34Å; D102-W104 PolarHBondContact O-N 2.93Å; D102-Q105 PolarHBondContact O-N 2.93Å; D102-M106 WeakPolarHBondContact O-CB 3.48Å; D102-M106 PolarHBondContact O-N 3.48Å; D102-Y167 HydrophobicContact CB-CD1 3.86Å; D102-Y167 HydrophobicContact CB-CE1 4.18Å; D102-Y167 WeakPolarHBondContact O-CE1 3.36Å
103	I	92.6	Very high	83.6	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-39	175.1	-61.4	169.2	0	0	0	110.7	I86 R87 E99 M106 L107 L137	I86-I103 HydrophobicContact CD1-CG2 4.04Å; I86-I103 HydrophobicContact CG1-CG2 4.19Å; I86-I103 HydrophobicContact CG2-CD1 4.46Å; R87-I103 HydrophobicContact CG-CD1 3.64Å; E99-I103 VanDerWaalsContact O-CG1 3.28Å; E99-I103 WeakPolarHBondContact O-CG1 3.4Å; E99-I103 PolarHBondContact O-N 3.47Å; I103-M106 HydrophobicContact CG2-CE 4.08Å; I103-M106 WeakPolarHBondContact O-CB 3.45Å; I103-M106 PolarHBondContact O-N 2.87Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.17Å; I103-L137 HydrophobicContact CB-CD1 4.08Å; I103-L137 HydrophobicContact CB-CD2 4.12Å; I103-L137 HydrophobicContact CG2-CD1 4.19Å; I103-L137 HydrophobicContact CG2-CD2 3.52Å
104	W	94	Very high	84.9	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-44.5	175.5	-168.9	-107.4	0	0	0	111.9	A100 Q101 D102 M106 L107 H108 V121 I124 D125 Y133 R136 L137 W140	A100-W104 WeakPolarHBondContact O-CB 3.45Å; A100-W104 PolarHBondContact O-N 3.11Å; Q101-W104 PolarHBondContact O-N 3.32Å; D102-W104 VanDerWaalsContact C-N 3.34Å; D102-W104 PolarHBondContact O-N 2.93Å; W104-M106 VanDerWaalsContact C-N 3.32Å; W104-M106 PolarHBondContact O-N 3.41Å; W104-L107 HydrophobicContact CE3-CD1 3.94Å; W104-L107 HydrophobicContact CZ3-CD1 4.05Å; W104-L107 WeakPolarHBondContact O-CB 3.36Å; W104-L107 PolarHBondContact O-N 3.3Å; W104-H108 AromaticContact CD1-CD2 3.69Å; W104-H108 AromaticContact CD1-NE2 3.78Å; W104-H108 AromaticContact CE2-NE2 3.79Å; W104-H108 AromaticContact NE1-CD2 3.44Å; W104-H108 PolarHBondContact NE1-CD2 2.91Å; W104-H108 AromaticContact NE1-NE2 3.1Å; W104-H108 PolarHBondContact NE1-NE2 2.92Å; W104-H108 PolarHBondContact O-CD2 3.47Å; W104-H108 PolarHBondContact O-N 2.91Å; W104-H108 VanDerWaalsContact O-N 3.09Å; W104-V121 HydrophobicContact CH2-CG1 4.26Å; W104-V121 HydrophobicContact CZ2-CG1 3.9Å; W104-I124 HydrophobicContact CH2-CB 3.65Å; W104-I124 HydrophobicContact CH2-CG1 4.16Å; W104-I124 HydrophobicContact CH2-CG2 3.43Å; W104-I124 VanDerWaalsContact CH2-CG2 3.43Å; W104-I124 HydrophobicContact CZ2-CB 4.05Å; W104-I124 HydrophobicContact CZ2-CG2 3.78Å; W104-I124 HydrophobicContact CZ3-CG2 4.29Å; W104-D125 PolarHBondContact NE1-OD1 3.15Å; W104-Y133 HydrophobicContact CB-CD1 4.02Å; W104-Y133 AromaticContact CD1-CD1 3.86Å; W104-Y133 HydrophobicContact CG-CD1 4.05Å; W104-R136 HydrophobicContact CD2-CB 3.88Å; W104-R136 HydrophobicContact CE3-CB 3.89Å; W104-R136 HydrophobicContact CH2-CB 4.08Å; W104-R136 HydrophobicContact CZ2-CB 4.04Å; W104-R136 HydrophobicContact CZ3-CB 3.99Å; W104-R136 WeakPolarHBondContact CZ3-O 3.33Å; W104-L137 HydrophobicContact CE3-CD2 3.84Å; W104-L137 HydrophobicContact CE3-CG 4.16Å; W104-W140 HydrophobicContact CH2-CB 4.17Å; W104-W140 HydrophobicContact CZ3-CB 3.67Å; W104-W140 HydrophobicContact CZ3-CG 4.2Å
105	Q	93.2	Very high	86.5	Confident	69 Å²	69	54.2 Å²	54.2	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-37.7	175.4	-72.3	-179.1	23.6	0	0	112.3	Q101 D102 H108 R109	Q101-Q105 HydrophobicContact CG-CG 4.48Å; Q101-Q105 WeakPolarHBondContact O-CG 3.32Å; Q101-Q105 PolarHBondContact O-N 3.23Å; D102-Q105 PolarHBondContact O-N 2.93Å; Q105-H108 WeakPolarHBondContact O-CB 3.45Å; Q105-H108 PolarHBondContact O-N 3.48Å; Q105-R109 WeakPolarHBondContact O-CG 3.41Å; Q105-R109 PolarHBondContact O-N 2.96Å
106	M	94	Very high	88	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-47.4	173.6	-177.6	-169.7	65	0	0	110.8	D102 I103 W104 H108 R109 V110 L157 I163 T164 Y167 Y168	D102-M106 WeakPolarHBondContact O-CB 3.48Å; D102-M106 PolarHBondContact O-N 3.48Å; I103-M106 HydrophobicContact CG2-CE 4.08Å; I103-M106 WeakPolarHBondContact O-CB 3.45Å; I103-M106 PolarHBondContact O-N 2.87Å; W104-M106 VanDerWaalsContact C-N 3.32Å; W104-M106 PolarHBondContact O-N 3.41Å; M106-H108 VanDerWaalsContact C-N 3.29Å; M106-H108 PolarHBondContact O-N 3.42Å; M106-R109 PolarHBondContact O-N 2.92Å; M106-R109 VanDerWaalsContact O-N 3.11Å; M106-V110 WeakPolarHBondContact O-CG2 3.42Å; M106-V110 PolarHBondContact O-N 2.9Å; M106-L157 HydrophobicContact CE-CD1 4.02Å; M106-L157 HydrophobicContact CE-CD2 3.75Å; M106-L157 HydrophobicContact CE-CG 4.46Å; M106-L157 HydrophobicContact CG-CD2 4.46Å; M106-L157 HydrophobicContact SD-CD2 4.4Å; M106-I163 HydrophobicContact CG-CG2 4.01Å; M106-T164 HydrophobicContact SD-CG2 3.89Å; M106-Y167 HydrophobicContact CB-CD2 3.58Å; M106-Y167 HydrophobicContact CB-CE2 3.64Å; M106-Y167 HydrophobicContact CB-CG 4.04Å; M106-Y167 HydrophobicContact CG-CD2 3.62Å; M106-Y167 HydrophobicContact CG-CE2 3.96Å; M106-Y167 HydrophobicContact CG-CG 4.33Å; M106-Y167 HydrophobicContact SD-CD2 4.23Å; M106-Y168 HydrophobicContact CE-CE2 3.89Å; M106-Y168 HydrophobicContact SD-CD2 4.15Å; M106-Y168 HydrophobicContact SD-CE2 3.45Å; M106-Y168 WeakPolarHBondContact SD-CE2 3.28Å
107	L	94.9	Very high	90	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-43.1	176.1	-77	167.7	0	0	0	111.5	I103 W104 R109 V110 A111 L117 V121 L137 W140 L157	I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.17Å; W104-L107 HydrophobicContact CE3-CD1 3.94Å; W104-L107 HydrophobicContact CZ3-CD1 4.05Å; W104-L107 WeakPolarHBondContact O-CB 3.36Å; W104-L107 PolarHBondContact O-N 3.3Å; L107-R109 PolarHBondContact O-N 3.35Å; L107-V110 PolarHBondContact O-N 2.91Å; L107-A111 WeakPolarHBondContact O-CB 3.3Å; L107-A111 PolarHBondContact O-N 3.11Å; L107-L117 HydrophobicContact CD2-CD1 4.47Å; L107-V121 HydrophobicContact CB-CG2 4.37Å; L107-L137 HydrophobicContact CD1-CD2 3.63Å; L107-W140 HydrophobicContact CD1-CD2 3.84Å; L107-W140 HydrophobicContact CD1-CE3 4.01Å; L107-W140 HydrophobicContact CD1-CG 4.25Å; L107-W140 HydrophobicContact CD1-CZ2 4.38Å; L107-W140 HydrophobicContact CD1-CZ3 4.36Å; L107-W140 HydrophobicContact CD2-CD2 4.4Å; L107-W140 HydrophobicContact CD2-CH2 3.95Å; L107-W140 HydrophobicContact CD2-CZ2 3.5Å; L107-L157 HydrophobicContact CD2-CD1 4.15Å; L107-L157 HydrophobicContact CD2-CD2 4.01Å; L107-L157 HydrophobicContact CD2-CG 4.45Å
108	H	94.7	Very high	91.3	Very high	74 Å²	74	45.6 Å²	45.6	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-44	173.9	-89.4	-81.7	0	0	0	113.5	W104 Q105 M106 A111 A112 V121 D125	W104-H108 AromaticContact CD1-CD2 3.69Å; W104-H108 AromaticContact CD1-NE2 3.78Å; W104-H108 AromaticContact CE2-NE2 3.79Å; W104-H108 AromaticContact NE1-CD2 3.44Å; W104-H108 PolarHBondContact NE1-CD2 2.91Å; W104-H108 AromaticContact NE1-NE2 3.1Å; W104-H108 PolarHBondContact NE1-NE2 2.92Å; W104-H108 PolarHBondContact O-CD2 3.47Å; W104-H108 PolarHBondContact O-N 2.91Å; W104-H108 VanDerWaalsContact O-N 3.09Å; Q105-H108 WeakPolarHBondContact O-CB 3.45Å; Q105-H108 PolarHBondContact O-N 3.48Å; M106-H108 VanDerWaalsContact C-N 3.29Å; M106-H108 PolarHBondContact O-N 3.42Å; H108-A111 WeakPolarHBondContact O-CB 3.44Å; H108-A111 PolarHBondContact O-N 3.37Å; H108-A112 PolarHBondContact O-N 3.48Å; H108-V121 WeakPolarHBondContact CE1-CG1 3.26Å; H108-D125 IonicContact CE1-OD2 3.56Å; H108-D125 PolarHBondContact CE1-OD2 3.44Å; H108-D125 IonicContact NE2-OD1 3.83Å; H108-D125 IonicContact NE2-OD2 3.99Å; H108-D125 PolarHBondContact NE2-OD2 3.35Å
109	R	95.1	Very high	92.1	Very high	119 Å²	119	47.7 Å²	47.7	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-65.3	-43	179.2	-71.8	-176	-175.2	-178	7	111.3	Q105 M106 L107 A111 A112 I163 Y167	Q105-R109 WeakPolarHBondContact O-CG 3.41Å; Q105-R109 PolarHBondContact O-N 2.96Å; M106-R109 PolarHBondContact O-N 2.92Å; M106-R109 VanDerWaalsContact O-N 3.11Å; L107-R109 PolarHBondContact O-N 3.35Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A112 VanDerWaalsContact O-CB 3.27Å; R109-A112 WeakPolarHBondContact O-CB 3.43Å; R109-A112 PolarHBondContact O-N 2.93Å; R109-I163 HydrophobicContact CB-CD1 4.06Å; R109-I163 HydrophobicContact CB-CG2 3.78Å; R109-Y167 WeakPolarHBondContact CD-OH 3.32Å; R109-Y167 PolarHBondContact NE-OH 3.1Å; R109-Y167 VanDerWaalsContact NE-OH 3.08Å; R109-Y167 PolarHBondContact NH1-OH 3.28Å; R109-Y167 PolarHBondContact NH2-OH 3.02Å
110	V	94.1	Very high	92.7	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-68.4	-35.5	176.7	178.6	0	0	0	0	111.2	M106 L107 A112 G113 L117 L156 L157 I163	M106-V110 WeakPolarHBondContact O-CG2 3.42Å; M106-V110 PolarHBondContact O-N 2.9Å; L107-V110 PolarHBondContact O-N 2.91Å; V110-A112 PolarHBondContact O-N 3.33Å; V110-A112 VanDerWaalsContact O-N 3.15Å; V110-G113 PolarHBondContact O-N 2.93Å; V110-L117 HydrophobicContact CB-CD2 4.19Å; V110-L117 HydrophobicContact CG1-CD2 3.84Å; V110-L156 HydrophobicContact CG1-CB 4.24Å; V110-L157 HydrophobicContact CB-CD2 4Å; V110-L157 HydrophobicContact CG1-CD2 4.15Å; V110-L157 HydrophobicContact CG2-CD2 3.71Å; V110-I163 HydrophobicContact CG2-CB 4.16Å; V110-I163 HydrophobicContact CG2-CD1 3.86Å; V110-I163 HydrophobicContact CG2-CG2 3.91Å
111	A	93.7	Very high	93.1	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-20.4	174.8	0	0	0	0	0	113.8	L107 H108 R109 G113 S114 L117 R118 V121	L107-A111 WeakPolarHBondContact O-CB 3.3Å; L107-A111 PolarHBondContact O-N 3.11Å; H108-A111 WeakPolarHBondContact O-CB 3.44Å; H108-A111 PolarHBondContact O-N 3.37Å; R109-A111 VanDerWaalsContact C-N 3.34Å; A111-G113 PolarHBondContact O-N 3.39Å; A111-S114 PolarHBondContact O-N 3.41Å; A111-S114 VanDerWaalsContact O-O 3.04Å; A111-L117 HydrophobicContact CB-CB 4.37Å; A111-L117 HydrophobicContact CB-CD2 4.17Å; A111-L117 HydrophobicContact CB-CG 3.87Å; A111-R118 HydrophobicContact CB-CB 4.26Å; A111-R118 HydrophobicContact CB-CG 4.37Å; A111-R118 WeakPolarHBondContact O-CB 3.27Å; A111-R118 PolarHBondContact O-NE 3.04Å; A111-V121 HydrophobicContact CB-CG2 4.26Å
112	A	89.7	Confident	93.3	Very high	67 Å²	67	47 Å²	47	55%	0.554	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-32	171.9	0	0	0	0	0	111.7	H108 R109 V110 R118	H108-A112 PolarHBondContact O-N 3.48Å; R109-A112 VanDerWaalsContact O-CB 3.27Å; R109-A112 WeakPolarHBondContact O-CB 3.43Å; R109-A112 PolarHBondContact O-N 2.93Å; V110-A112 PolarHBondContact O-N 3.33Å; V110-A112 VanDerWaalsContact O-N 3.15Å; A112-R118 PolarHBondContact O-NH2 3.22Å
113	G	88.1	Confident	93.4	Very high	76 Å²	76	49 Å²	49	78%	0.784	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-19.9	179.5	0	0	0	0	0	115.6	V110 A111	V110-G113 PolarHBondContact O-N 2.93Å; A111-G113 PolarHBondContact O-N 3.39Å
114	S	92.1	Very high	93.4	Very high	18 Å²	18	49 Å²	49	13%	0.126	26%	0.262	C	S	.	.			trans	-126.6	120.7	-174.9	172.3	0	0	0	0	112	A111 E116 L117 R118	A111-S114 PolarHBondContact O-N 3.41Å; A111-S114 VanDerWaalsContact O-O 3.04Å; S114-E116 VanDerWaalsContact C-N 3.33Å; S114-E116 PolarHBondContact O-N 3.35Å; S114-L117 PolarHBondContact O-N 2.8Å; S114-L117 PolarHBondContact OG-N 2.89Å; S114-R118 WeakPolarHBondContact O-CB 3.37Å; S114-R118 PolarHBondContact O-N 2.87Å
115	K	92.1	Very high	93.3	Very high	149 Å²	149	51.5 Å²	51.5	65%	0.648	28%	0.275	S	S	*	.	H	α-helix	trans	-58.3	-44.8	178.5	-177.8	-178.8	170.3	-174.6	0	111.8	R118 E119	K115-R118 WeakPolarHBondContact O-CB 3.47Å; K115-R118 PolarHBondContact O-N 3.31Å; K115-E119 WeakPolarHBondContact CE-OE1 3.43Å; K115-E119 IonicContact NZ-OE1 2.73Å; K115-E119 WeakPolarHBondContact O-CG 3.31Å; K115-E119 PolarHBondContact O-N 3.17Å
116	E	91.9	Very high	93.2	Very high	91 Å²	91	55 Å²	55	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-47.3	-177.3	-58	-179.9	160.9	0	0	111.5	S114 R118 E119 A120 K149 Y153	S114-E116 VanDerWaalsContact C-N 3.33Å; S114-E116 PolarHBondContact O-N 3.35Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.92Å; E116-E119 PolarHBondContact O-N 3.49Å; E116-A120 PolarHBondContact O-N 2.9Å; E116-A120 VanDerWaalsContact O-N 3.14Å; E116-K149 VanDerWaalsContact CD-NZ 3.28Å; E116-K149 IonicContact OE1-NZ 3.97Å; E116-K149 PolarHBondContact OE1-NZ 2.97Å; E116-K149 VanDerWaalsContact OE1-NZ 3.13Å; E116-K149 IonicContact OE2-NZ 3.04Å; E116-K149 PolarHBondContact OE2-NZ 3.49Å; E116-Y153 HydrophobicContact CB-CE1 4.34Å
117	L	95	Very high	92.9	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-34.5	177.7	-178.1	59.4	0	0	0	111.4	L107 V110 A111 S114 A120 V121 Y153	L107-L117 HydrophobicContact CD2-CD1 4.47Å; V110-L117 HydrophobicContact CB-CD2 4.19Å; V110-L117 HydrophobicContact CG1-CD2 3.84Å; A111-L117 HydrophobicContact CB-CB 4.37Å; A111-L117 HydrophobicContact CB-CD2 4.17Å; A111-L117 HydrophobicContact CB-CG 3.87Å; S114-L117 PolarHBondContact O-N 2.8Å; S114-L117 PolarHBondContact OG-N 2.89Å; L117-A120 PolarHBondContact O-N 3.38Å; L117-V121 HydrophobicContact CD1-CG2 4.12Å; L117-V121 HydrophobicContact CG-CG2 4.34Å; L117-V121 WeakPolarHBondContact O-CG2 3.49Å; L117-V121 PolarHBondContact O-N 3.38Å; L117-Y153 HydrophobicContact CB-CD1 4.13Å; L117-Y153 HydrophobicContact CB-CE1 4.17Å; L117-Y153 HydrophobicContact CD1-CD1 3.9Å; L117-Y153 HydrophobicContact CD1-CD2 4.2Å; L117-Y153 HydrophobicContact CD1-CE1 4.28Å; L117-Y153 HydrophobicContact CD1-CG 3.86Å
118	R	94.9	Very high	92.3	Very high	132 Å²	132	61.4 Å²	61.4	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-41.9	177.3	-151.7	-174.7	-55.5	161.3	1.8	112.9	A111 A112 S114 K115 E116 A120 S122	A111-R118 HydrophobicContact CB-CB 4.26Å; A111-R118 HydrophobicContact CB-CG 4.37Å; A111-R118 WeakPolarHBondContact O-CB 3.27Å; A111-R118 PolarHBondContact O-NE 3.04Å; A112-R118 PolarHBondContact O-NH2 3.22Å; S114-R118 WeakPolarHBondContact O-CB 3.37Å; S114-R118 PolarHBondContact O-N 2.87Å; K115-R118 WeakPolarHBondContact O-CB 3.47Å; K115-R118 PolarHBondContact O-N 3.31Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.92Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-S122 WeakPolarHBondContact O-CB 3.44Å; R118-S122 PolarHBondContact O-N 2.95Å
119	E	94.5	Very high	91.8	Very high	111 Å²	111	64.1 Å²	64.1	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-42.4	174.6	-71.5	172.4	-175.2	0	0	110.8	K115 E116 C123	K115-E119 WeakPolarHBondContact CE-OE1 3.43Å; K115-E119 IonicContact NZ-OE1 2.73Å; K115-E119 WeakPolarHBondContact O-CG 3.31Å; K115-E119 PolarHBondContact O-N 3.17Å; E116-E119 PolarHBondContact O-N 3.49Å; E119-C123 WeakPolarHBondContact O-CB 3.25Å; E119-C123 PolarHBondContact O-N 3.32Å
120	A	94.1	Very high	91.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-48.7	176.7	0	0	0	0	0	112.5	E116 L117 R118 C123 I124 L143 Y153	E116-A120 PolarHBondContact O-N 2.9Å; E116-A120 VanDerWaalsContact O-N 3.14Å; L117-A120 PolarHBondContact O-N 3.38Å; R118-A120 VanDerWaalsContact C-N 3.34Å; A120-C123 WeakPolarHBondContact O-CB 3.21Å; A120-C123 PolarHBondContact O-N 2.96Å; A120-I124 WeakPolarHBondContact O-CG1 3.34Å; A120-I124 PolarHBondContact O-N 3.4Å; A120-L143 HydrophobicContact CB-CD2 4.22Å; A120-Y153 HydrophobicContact CB-CE2 4.26Å
121	V	95.5	Very high	90.8	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-44.5	178.5	172.8	0	0	0	0	111	W104 L107 H108 A111 L117 C123 I124 D125	W104-V121 HydrophobicContact CH2-CG1 4.26Å; W104-V121 HydrophobicContact CZ2-CG1 3.9Å; L107-V121 HydrophobicContact CB-CG2 4.37Å; H108-V121 WeakPolarHBondContact CE1-CG1 3.26Å; A111-V121 HydrophobicContact CB-CG2 4.26Å; L117-V121 HydrophobicContact CD1-CG2 4.12Å; L117-V121 HydrophobicContact CG-CG2 4.34Å; L117-V121 WeakPolarHBondContact O-CG2 3.49Å; L117-V121 PolarHBondContact O-N 3.38Å; V121-C123 VanDerWaalsContact C-N 3.27Å; V121-C123 PolarHBondContact O-N 2.98Å; V121-I124 PolarHBondContact O-N 3.2Å; V121-I124 VanDerWaalsContact O-N 3.11Å; V121-D125 PolarHBondContact O-N 3.45Å
122	S	94.1	Very high	90.6	Very high	51 Å²	51	66.2 Å²	66.2	36%	0.357	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-33.6	176.9	-177.2	0	0	0	0	112.8	R118 I124 Q126	R118-S122 WeakPolarHBondContact O-CB 3.44Å; R118-S122 PolarHBondContact O-N 2.95Å; S122-I124 VanDerWaalsContact C-N 3.34Å; S122-Q126 VanDerWaalsContact O-CG 3.31Å; S122-Q126 WeakPolarHBondContact O-CG 3.45Å; S122-Q126 PolarHBondContact O-N 3.29Å; S122-Q126 PolarHBondContact OG-NE2 3.47Å
123	C	92.4	Very high	90.6	Very high	56 Å²	56	67 Å²	67	38%	0.378	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.2	-179.5	0	0	0	0	111.1	E119 A120 V121 Q126 L143	E119-C123 WeakPolarHBondContact O-CB 3.25Å; E119-C123 PolarHBondContact O-N 3.32Å; A120-C123 WeakPolarHBondContact O-CB 3.21Å; A120-C123 PolarHBondContact O-N 2.96Å; V121-C123 VanDerWaalsContact C-N 3.27Å; V121-C123 PolarHBondContact O-N 2.98Å; C123-Q126 PolarHBondContact O-N 2.94Å; C123-L143 HydrophobicContact CB-CD2 4.25Å
124	I	93.2	Very high	90.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.3	-39.3	177.8	-60.5	-53.1	0	0	0	112	W104 A120 V121 S122 Q126 L127 R136 A139 W140 L143	W104-I124 HydrophobicContact CH2-CB 3.65Å; W104-I124 HydrophobicContact CH2-CG1 4.16Å; W104-I124 HydrophobicContact CH2-CG2 3.43Å; W104-I124 VanDerWaalsContact CH2-CG2 3.43Å; W104-I124 HydrophobicContact CZ2-CB 4.05Å; W104-I124 HydrophobicContact CZ2-CG2 3.78Å; W104-I124 HydrophobicContact CZ3-CG2 4.29Å; A120-I124 WeakPolarHBondContact O-CG1 3.34Å; A120-I124 PolarHBondContact O-N 3.4Å; V121-I124 PolarHBondContact O-N 3.2Å; V121-I124 VanDerWaalsContact O-N 3.11Å; S122-I124 VanDerWaalsContact C-N 3.34Å; I124-Q126 PolarHBondContact O-N 3.43Å; I124-L127 HydrophobicContact CD1-CD1 3.8Å; I124-L127 HydrophobicContact CG2-CD1 4.35Å; I124-L127 WeakPolarHBondContact O-CB 3.39Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-L127 VanDerWaalsContact O-N 3.12Å; I124-R136 HydrophobicContact CG2-CB 3.85Å; I124-R136 HydrophobicContact CG2-CG 3.98Å; I124-A139 HydrophobicContact CD1-CB 3.76Å; I124-A139 HydrophobicContact CG2-CB 4.18Å; I124-W140 HydrophobicContact CG1-CB 4.22Å; I124-L143 HydrophobicContact CD1-CB 4.23Å; I124-L143 HydrophobicContact CD1-CD2 3.77Å; I124-L143 HydrophobicContact CG1-CD2 4.1Å
125	D	92.6	Very high	90.5	Very high	57 Å²	57	63.4 Å²	63.4	31%	0.305	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-25.2	177.8	-74.6	-39.3	0	0	0	113.6	W104 H108 V121 L127 R136	W104-D125 PolarHBondContact NE1-OD1 3.15Å; H108-D125 IonicContact CE1-OD2 3.56Å; H108-D125 PolarHBondContact CE1-OD2 3.44Å; H108-D125 IonicContact NE2-OD1 3.83Å; H108-D125 IonicContact NE2-OD2 3.99Å; H108-D125 PolarHBondContact NE2-OD2 3.35Å; V121-D125 PolarHBondContact O-N 3.45Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-R136 IonicContact OD1-CZ 2.84Å; D125-R136 IonicContact OD1-NH1 3.57Å; D125-R136 PolarHBondContact OD1-NH1 2.97Å
126	Q	90.4	Very high	90.6	Very high	144 Å²	144	59 Å²	59	67%	0.673	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.1	178	-68.8	172.8	14.6	0	0	113.1	S122 C123 I124 P128	S122-Q126 VanDerWaalsContact O-CG 3.31Å; S122-Q126 WeakPolarHBondContact O-CG 3.45Å; S122-Q126 PolarHBondContact O-N 3.29Å; S122-Q126 PolarHBondContact OG-NE2 3.47Å; C123-Q126 PolarHBondContact O-N 2.94Å; I124-Q126 PolarHBondContact O-N 3.43Å; Q126-P128 WeakPolarHBondContact O-CD 3.46Å
127	L	88	Confident	90.6	Very high	41 Å²	41	55.4 Å²	55.4	22%	0.215	28%	0.276	C	S	.	.			trans	-71	116.5	178.3	-69.5	174.5	0	0	0	110.6	I124 D125 H129 V130 A139	I124-L127 HydrophobicContact CD1-CD1 3.8Å; I124-L127 HydrophobicContact CG2-CD1 4.35Å; I124-L127 WeakPolarHBondContact O-CB 3.39Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-L127 VanDerWaalsContact O-N 3.12Å; D125-L127 VanDerWaalsContact C-N 3.31Å; L127-H129 VanDerWaalsContact C-N 3.25Å; L127-H129 PolarHBondContact O-N 2.83Å; L127-V130 HydrophobicContact CB-CB 4.15Å; L127-V130 HydrophobicContact CB-CG2 4.09Å; L127-V130 HydrophobicContact CD1-CG2 4.1Å; L127-V130 PolarHBondContact O-N 3.2Å; L127-A139 HydrophobicContact CD1-CB 4.13Å
128	P	81.9	Confident	90.5	Very high	92 Å²	92	56.4 Å²	56.4	60%	0.597	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.9	-170.1	27.2	-35.1	0	0	0	114	Q126 H131	Q126-P128 WeakPolarHBondContact O-CD 3.46Å; P128-H131 PolarHBondContact O-CE1 3.37Å; P128-H131 PolarHBondContact O-NE2 2.95Å
129	H	84.5	Confident	90.5	Very high	132 Å²	132	50.1 Å²	50.1	61%	0.611	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	5.2	-176	-56.7	-55.9	0	0	0	113.2	L127 E201	L127-H129 VanDerWaalsContact C-N 3.25Å; L127-H129 PolarHBondContact O-N 2.83Å; H129-E201 WeakPolarHBondContact O-CB 3.48Å
130	V	86.3	Confident	90.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.231	C	C	.	.			trans	-113.6	89.7	-177.4	-174.6	0	0	0	0	109.9	L127 R136 L204	L127-V130 HydrophobicContact CB-CB 4.15Å; L127-V130 HydrophobicContact CB-CG2 4.09Å; L127-V130 HydrophobicContact CD1-CG2 4.1Å; L127-V130 PolarHBondContact O-N 3.2Å; V130-R136 HydrophobicContact CG1-CG 3.88Å; V130-R136 PolarHBondContact O-NE 3.5Å; V130-L204 HydrophobicContact CG1-CD1 4.36Å; V130-L204 HydrophobicContact CG2-CD1 3.79Å
131	H	82.1	Confident	90.5	Very high	130 Å²	130	45.1 Å²	45.1	60%	0.602	23%	0.232	S	C	*	.			trans	-94	-30.8	-172.8	-58.5	89.6	0	0	0	112.7	P128	P128-H131 PolarHBondContact O-CE1 3.37Å; P128-H131 PolarHBondContact O-NE2 2.95Å
132	S	88.7	Confident	90.5	Very high	38 Å²	38	46.1 Å²	46.1	27%	0.266	24%	0.236	S	C	.	.	S	Bend	trans	-80	142.1	-177.3	73.3	0	0	0	0	112.1	V134 G135 R136	S132-V134 PolarHBondContact O-N 3.46Å; S132-G135 PolarHBondContact O-N 3.23Å; S132-G135 VanDerWaalsContact O-N 3.11Å; S132-G135 PolarHBondContact OG-N 3Å; S132-R136 WeakPolarHBondContact O-CG 3.39Å; S132-R136 PolarHBondContact O-N 3Å
133	Y	89.4	Confident	90.5	Very high	84 Å²	84	44.5 Å²	44.5	33%	0.329	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-32.5	174.6	-63.8	-69.2	0	0	0	112.7	Q101 W104 R136 L137	Q101-Y133 HydrophobicContact CB-CD1 4.3Å; Q101-Y133 HydrophobicContact CB-CD2 3.55Å; Q101-Y133 HydrophobicContact CB-CE1 4.48Å; Q101-Y133 HydrophobicContact CB-CE2 3.77Å; Q101-Y133 HydrophobicContact CB-CG 3.84Å; Q101-Y133 HydrophobicContact CG-CD1 4.26Å; Q101-Y133 HydrophobicContact CG-CD2 3.87Å; Q101-Y133 HydrophobicContact CG-CE1 3.97Å; Q101-Y133 HydrophobicContact CG-CE2 3.54Å; Q101-Y133 HydrophobicContact CG-CG 4.21Å; Q101-Y133 PolarHBondContact NE2-OH 3.46Å; W104-Y133 HydrophobicContact CB-CD1 4.02Å; W104-Y133 AromaticContact CD1-CD1 3.86Å; W104-Y133 HydrophobicContact CG-CD1 4.05Å; Y133-R136 PolarHBondContact O-N 3Å; Y133-L137 WeakPolarHBondContact O-CG 3.38Å; Y133-L137 PolarHBondContact O-N 3.37Å
134	V	89	Confident	90.6	Very high	17 Å²	17	41.8 Å²	41.8	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-47.9	173.3	178	0	0	0	0	110.4	A100 S132 R136 L137 R138	A100-V134 HydrophobicContact CB-CB 4.49Å; A100-V134 HydrophobicContact CB-CG2 3.57Å; S132-V134 PolarHBondContact O-N 3.46Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.43Å; V134-L137 PolarHBondContact O-N 2.9Å; V134-R138 WeakPolarHBondContact O-CG 3.29Å; V134-R138 PolarHBondContact O-N 2.96Å
135	G	90.6	Very high	90.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-42.5	175.2	0	0	0	0	0	111.9	S132 R138 A139	S132-G135 PolarHBondContact O-N 3.23Å; S132-G135 VanDerWaalsContact O-N 3.11Å; S132-G135 PolarHBondContact OG-N 3Å; G135-R138 PolarHBondContact O-N 3.18Å; G135-A139 VanDerWaalsContact O-CB 3.26Å; G135-A139 WeakPolarHBondContact O-CB 3.37Å; G135-A139 PolarHBondContact O-N 3.47Å
136	R	92.5	Very high	90.5	Very high	56 Å²	56	42.6 Å²	42.6	21%	0.211	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-44	176.9	-68.5	-175.6	-174.7	-173.7	4.8	112.8	W104 I124 D125 V130 S132 Y133 V134 R138 A139 W140	W104-R136 HydrophobicContact CD2-CB 3.88Å; W104-R136 HydrophobicContact CE3-CB 3.89Å; W104-R136 HydrophobicContact CH2-CB 4.08Å; W104-R136 HydrophobicContact CZ2-CB 4.04Å; W104-R136 HydrophobicContact CZ3-CB 3.99Å; W104-R136 WeakPolarHBondContact CZ3-O 3.33Å; I124-R136 HydrophobicContact CG2-CB 3.85Å; I124-R136 HydrophobicContact CG2-CG 3.98Å; D125-R136 IonicContact OD1-CZ 2.84Å; D125-R136 IonicContact OD1-NH1 3.57Å; D125-R136 PolarHBondContact OD1-NH1 2.97Å; V130-R136 HydrophobicContact CG1-CG 3.88Å; V130-R136 PolarHBondContact O-NE 3.5Å; S132-R136 WeakPolarHBondContact O-CG 3.39Å; S132-R136 PolarHBondContact O-N 3Å; Y133-R136 PolarHBondContact O-N 3Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.43Å; R136-R138 PolarHBondContact O-N 3.07Å; R136-A139 PolarHBondContact O-N 3.45Å; R136-W140 WeakPolarHBondContact O-CB 3.35Å; R136-W140 PolarHBondContact O-N 3.25Å
137	L	93	Very high	90.6	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-42.9	176	-75.9	171.5	0	0	0	112.3	A100 I103 W104 L107 Y133 V134 W140 L141	A100-L137 HydrophobicContact CB-CD1 3.8Å; A100-L137 WeakPolarHBondContact O-CD1 3.48Å; I103-L137 HydrophobicContact CB-CD1 4.08Å; I103-L137 HydrophobicContact CB-CD2 4.12Å; I103-L137 HydrophobicContact CG2-CD1 4.19Å; I103-L137 HydrophobicContact CG2-CD2 3.52Å; W104-L137 HydrophobicContact CE3-CD2 3.84Å; W104-L137 HydrophobicContact CE3-CG 4.16Å; L107-L137 HydrophobicContact CD1-CD2 3.63Å; Y133-L137 WeakPolarHBondContact O-CG 3.38Å; Y133-L137 PolarHBondContact O-N 3.37Å; V134-L137 PolarHBondContact O-N 2.9Å; L137-W140 PolarHBondContact O-N 3.34Å; L137-L141 WeakPolarHBondContact O-CB 3.5Å; L137-L141 PolarHBondContact O-N 2.97Å
138	R	93.5	Very high	90.9	Very high	20 Å²	20	40 Å²	40	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-67.8	-38.1	177	-69.4	179.7	-178.3	171.1	-0.2	111.7	E83 V134 G135 R136 L141 R142 L204	E83-R138 IonicContact OE1-NE 3.65Å; E83-R138 IonicContact OE1-NH2 2.81Å; E83-R138 PolarHBondContact OE1-NH2 2.93Å; E83-R138 IonicContact OE2-CZ 2.7Å; E83-R138 IonicContact OE2-NE 3.7Å; E83-R138 PolarHBondContact OE2-NE 3.5Å; E83-R138 IonicContact OE2-NH2 3.71Å; E83-R138 PolarHBondContact OE2-NH2 3.26Å; V134-R138 WeakPolarHBondContact O-CG 3.29Å; V134-R138 PolarHBondContact O-N 2.96Å; G135-R138 PolarHBondContact O-N 3.18Å; R136-R138 PolarHBondContact O-N 3.07Å; R138-L141 PolarHBondContact O-N 3.36Å; R138-R142 WeakPolarHBondContact O-CG 3.45Å; R138-R142 PolarHBondContact O-N 3Å; R138-L204 HydrophobicContact CB-CD2 3.67Å; R138-L204 WeakPolarHBondContact CD-O 3.44Å; R138-L204 PolarHBondContact NH1-O 3.22Å
139	A	93.5	Very high	91.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-42.8	175.7	0	0	0	0	0	110.9	I124 L127 G135 R136 R142 L143 L199 L204	I124-A139 HydrophobicContact CD1-CB 3.76Å; I124-A139 HydrophobicContact CG2-CB 4.18Å; L127-A139 HydrophobicContact CD1-CB 4.13Å; G135-A139 VanDerWaalsContact O-CB 3.26Å; G135-A139 WeakPolarHBondContact O-CB 3.37Å; G135-A139 PolarHBondContact O-N 3.47Å; R136-A139 PolarHBondContact O-N 3.45Å; A139-R142 PolarHBondContact O-N 3.33Å; A139-L143 VanDerWaalsContact O-CB 3.29Å; A139-L143 WeakPolarHBondContact O-CB 3.37Å; A139-L143 PolarHBondContact O-N 3.26Å; A139-L199 HydrophobicContact CB-CD2 4.15Å; A139-L204 HydrophobicContact CB-CD1 3.93Å; A139-L204 HydrophobicContact CB-CD2 4.09Å
140	W	95.2	Very high	92.1	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-43.1	172.6	170.6	81.8	0	0	0	112.2	F82 I86 W104 L107 I124 R136 L137 R142 L143 S144 L150 Y153	F82-W140 HydrophobicContact CE1-CZ3 4.18Å; F82-W140 HydrophobicContact CZ-CZ3 4.37Å; I86-W140 HydrophobicContact CD1-CZ3 4.28Å; W104-W140 HydrophobicContact CH2-CB 4.17Å; W104-W140 HydrophobicContact CZ3-CB 3.67Å; W104-W140 HydrophobicContact CZ3-CG 4.2Å; L107-W140 HydrophobicContact CD1-CD2 3.84Å; L107-W140 HydrophobicContact CD1-CE3 4.01Å; L107-W140 HydrophobicContact CD1-CG 4.25Å; L107-W140 HydrophobicContact CD1-CZ2 4.38Å; L107-W140 HydrophobicContact CD1-CZ3 4.36Å; L107-W140 HydrophobicContact CD2-CD2 4.4Å; L107-W140 HydrophobicContact CD2-CH2 3.95Å; L107-W140 HydrophobicContact CD2-CZ2 3.5Å; I124-W140 HydrophobicContact CG1-CB 4.22Å; R136-W140 WeakPolarHBondContact O-CB 3.35Å; R136-W140 PolarHBondContact O-N 3.25Å; L137-W140 PolarHBondContact O-N 3.34Å; W140-R142 PolarHBondContact O-N 2.99Å; W140-L143 PolarHBondContact O-N 3.34Å; W140-S144 VanDerWaalsContact O-CB 3.23Å; W140-S144 WeakPolarHBondContact O-CB 3.44Å; W140-S144 PolarHBondContact O-N 2.96Å; W140-S144 PolarHBondContact O-OG 3.32Å; W140-L150 HydrophobicContact CH2-CD1 4.18Å; W140-L150 HydrophobicContact CZ3-CD1 4.4Å; W140-Y153 HydrophobicContact CZ2-CD2 4.14Å; W140-Y153 HydrophobicContact CZ2-CG 4.4Å
141	L	94.8	Very high	92.6	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-59.8	-48.3	176.8	177.8	54.8	0	0	0	111.3	F79 F82 L137 R138 S144 I145 L150	F79-L141 HydrophobicContact CB-CD2 4.41Å; F79-L141 HydrophobicContact CD1-CD2 3.55Å; F79-L141 HydrophobicContact CD1-CG 3.84Å; F79-L141 HydrophobicContact CE1-CD2 4.24Å; F79-L141 HydrophobicContact CE1-CG 4.03Å; F79-L141 HydrophobicContact CG-CD2 4.4Å; F82-L141 HydrophobicContact CB-CD2 4.38Å; F82-L141 HydrophobicContact CD1-CD1 3.62Å; F82-L141 HydrophobicContact CD1-CD2 3.63Å; F82-L141 HydrophobicContact CD1-CG 4.25Å; F82-L141 HydrophobicContact CD2-CD1 4.43Å; F82-L141 HydrophobicContact CE1-CD1 3.67Å; F82-L141 HydrophobicContact CE1-CD2 4.3Å; F82-L141 HydrophobicContact CE2-CD1 4.46Å; F82-L141 HydrophobicContact CG-CD1 4.03Å; F82-L141 HydrophobicContact CG-CD2 4.22Å; F82-L141 HydrophobicContact CZ-CD1 4.11Å; L137-L141 WeakPolarHBondContact O-CB 3.5Å; L137-L141 PolarHBondContact O-N 2.97Å; R138-L141 PolarHBondContact O-N 3.36Å; L141-S144 PolarHBondContact O-N 3.48Å; L141-I145 HydrophobicContact CD1-CD1 4.44Å; L141-I145 WeakPolarHBondContact O-CG1 3.48Å; L141-I145 PolarHBondContact O-N 3.34Å; L141-I145 VanDerWaalsContact O-N 3.15Å; L141-L150 HydrophobicContact CD1-CD1 3.67Å; L141-L150 HydrophobicContact CD1-CD2 3.62Å; L141-L150 HydrophobicContact CD1-CG 4.32Å
142	R	93.8	Very high	93.2	Very high	22 Å²	22	28.2 Å²	28.2	8%	0.083	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-47.3	176.9	-68.9	-178.7	-178.5	168.5	4.2	111.9	F79 R138 A139 W140 S144 I145 I146 L197 F198 L199 D203 L204	F79-R142 HydrophobicContact CE1-CG 4.18Å; F79-R142 HydrophobicContact CZ-CG 3.9Å; R138-R142 WeakPolarHBondContact O-CG 3.45Å; R138-R142 PolarHBondContact O-N 3Å; A139-R142 PolarHBondContact O-N 3.33Å; W140-R142 PolarHBondContact O-N 2.99Å; R142-S144 VanDerWaalsContact C-N 3.29Å; R142-S144 PolarHBondContact O-N 3.42Å; R142-I145 PolarHBondContact O-N 2.88Å; R142-I146 WeakPolarHBondContact O-CG1 3.25Å; R142-I146 PolarHBondContact O-N 3.36Å; R142-L197 HydrophobicContact CB-CB 4.24Å; R142-L197 HydrophobicContact CB-CD1 3.9Å; R142-L197 HydrophobicContact CG-CB 4.42Å; R142-L197 HydrophobicContact CG-CD1 4.08Å; R142-F198 WeakPolarHBondContact CD-O 3.47Å; R142-F198 PolarHBondContact NH1-O 2.97Å; R142-L199 HydrophobicContact CB-CD2 3.89Å; R142-D203 PolarHBondContact NH1-O 3.44Å; R142-D203 PolarHBondContact NH2-O 2.92Å; R142-L204 VanDerWaalsContact NH1-CD2 3.3Å
143	L	93.9	Very high	93.6	Very high	17 Å²	17	26.6 Å²	26.6	9%	0.089	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-42	176.8	-179.4	62.4	0	0	0	111.5	A120 C123 I124 A139 W140 I145 I146 Q147	A120-L143 HydrophobicContact CB-CD2 4.22Å; C123-L143 HydrophobicContact CB-CD2 4.25Å; I124-L143 HydrophobicContact CD1-CB 4.23Å; I124-L143 HydrophobicContact CD1-CD2 3.77Å; I124-L143 HydrophobicContact CG1-CD2 4.1Å; A139-L143 VanDerWaalsContact O-CB 3.29Å; A139-L143 WeakPolarHBondContact O-CB 3.37Å; A139-L143 PolarHBondContact O-N 3.26Å; W140-L143 PolarHBondContact O-N 3.34Å; L143-I145 VanDerWaalsContact C-N 3.29Å; L143-I145 PolarHBondContact O-N 3.47Å; L143-I146 PolarHBondContact O-N 2.94Å; L143-Q147 HydrophobicContact CD1-CG 4.15Å; L143-Q147 HydrophobicContact CG-CG 4.36Å; L143-Q147 WeakPolarHBondContact O-CB 3.48Å; L143-Q147 VanDerWaalsContact O-CG 3.31Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 2.99Å
144	S	94.8	Very high	93.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-32.7	179.5	-60	0	0	0	0	112.8	W140 L141 R142 K148 K149 L150 Y153	W140-S144 VanDerWaalsContact O-CB 3.23Å; W140-S144 WeakPolarHBondContact O-CB 3.44Å; W140-S144 PolarHBondContact O-N 2.96Å; W140-S144 PolarHBondContact O-OG 3.32Å; L141-S144 PolarHBondContact O-N 3.48Å; R142-S144 VanDerWaalsContact C-N 3.29Å; R142-S144 PolarHBondContact O-N 3.42Å; S144-K148 PolarHBondContact O-N 3.3Å; S144-K149 PolarHBondContact O-N 2.94Å; S144-L150 PolarHBondContact O-N 2.92Å; S144-L150 VanDerWaalsContact O-N 3.16Å; S144-Y153 VanDerWaalsContact OG-CD2 3.27Å; S144-Y153 WeakPolarHBondContact OG-CD2 3.49Å; S144-Y153 WeakPolarHBondContact OG-CE2 3.46Å
145	I	93.7	Very high	94.2	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-75.1	-40.4	173.5	-65.8	175.5	0	0	0	111.3	F78 F79 L141 R142 L143 Q147 K148 L150 C195 L197	F78-I145 HydrophobicContact CD1-CD1 4.35Å; F78-I145 HydrophobicContact CE1-CD1 3.74Å; F79-I145 HydrophobicContact CD1-CD1 4.35Å; F79-I145 HydrophobicContact CE1-CD1 3.48Å; F79-I145 VanDerWaalsContact CE1-CD1 3.48Å; F79-I145 HydrophobicContact CZ-CD1 4.2Å; L141-I145 HydrophobicContact CD1-CD1 4.44Å; L141-I145 WeakPolarHBondContact O-CG1 3.48Å; L141-I145 PolarHBondContact O-N 3.34Å; L141-I145 VanDerWaalsContact O-N 3.15Å; R142-I145 PolarHBondContact O-N 2.88Å; L143-I145 VanDerWaalsContact C-N 3.29Å; L143-I145 PolarHBondContact O-N 3.47Å; I145-Q147 VanDerWaalsContact C-N 3.32Å; I145-Q147 PolarHBondContact O-N 2.95Å; I145-K148 WeakPolarHBondContact O-CD 3.13Å; I145-K148 PolarHBondContact O-N 2.91Å; I145-K148 VanDerWaalsContact O-N 3.16Å; I145-K148 PolarHBondContact O-NZ 3.44Å; I145-L150 HydrophobicContact CD1-CD2 4.35Å; I145-L150 HydrophobicContact CG1-CB 4.49Å; I145-L150 HydrophobicContact CG1-CD2 3.89Å; I145-C195 HydrophobicContact CG2-CB 4.46Å; I145-L197 HydrophobicContact CB-CD1 4.25Å; I145-L197 HydrophobicContact CG2-CD1 4.23Å
146	I	91.2	Very high	94.4	Very high	70 Å²	70	26.1 Å²	26.1	36%	0.359	12%	0.123	S	C	.	.	H	α-helix	trans	-59.3	-46.9	174.4	-68.3	161.7	0	0	0	109.7	R142 L143 K148 L197	R142-I146 WeakPolarHBondContact O-CG1 3.25Å; R142-I146 PolarHBondContact O-N 3.36Å; L143-I146 PolarHBondContact O-N 2.94Å; I146-K148 PolarHBondContact O-N 3.46Å; I146-L197 HydrophobicContact CD1-CB 4.03Å; I146-L197 HydrophobicContact CG1-CB 4.34Å; I146-L197 HydrophobicContact CG1-CD1 4.21Å; I146-L197 HydrophobicContact CG1-CG 4.46Å
147	Q	92.8	Very high	94.5	Very high	76 Å²	76	23.5 Å²	23.5	36%	0.355	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.6	178.3	-69.5	177	-15.3	0	0	114.1	L143 I145 K149 Y153	L143-Q147 HydrophobicContact CD1-CG 4.15Å; L143-Q147 HydrophobicContact CG-CG 4.36Å; L143-Q147 WeakPolarHBondContact O-CB 3.48Å; L143-Q147 VanDerWaalsContact O-CG 3.31Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 2.99Å; I145-Q147 VanDerWaalsContact C-N 3.32Å; I145-Q147 PolarHBondContact O-N 2.95Å; Q147-K149 HydrophobicContact CB-CB 4.26Å; Q147-K149 HydrophobicContact CB-CG 4.22Å; Q147-K149 WeakPolarHBondContact O-CG 3.37Å; Q147-K149 PolarHBondContact O-N 3.36Å; Q147-Y153 PolarHBondContact OE1-OH 3.24Å
148	K	94.2	Very high	94.5	Very high	55 Å²	55	23.1 Å²	23.1	24%	0.239	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	26.8	-174.3	-46.2	-62.8	164.4	-149.2	0	114	S144 I145 I146 R191 L193	S144-K148 PolarHBondContact O-N 3.3Å; I145-K148 WeakPolarHBondContact O-CD 3.13Å; I145-K148 PolarHBondContact O-N 2.91Å; I145-K148 VanDerWaalsContact O-N 3.16Å; I145-K148 PolarHBondContact O-NZ 3.44Å; I146-K148 PolarHBondContact O-N 3.46Å; K148-R191 HydrophobicContact CB-CB 4.47Å; K148-R191 HydrophobicContact CB-CG 4.21Å; K148-R191 WeakPolarHBondContact O-CG 3.33Å; K148-R191 PolarHBondContact O-NE 2.92Å; K148-L193 WeakPolarHBondContact CE-O 3.37Å; K148-L193 PolarHBondContact NZ-O 3.31Å
149	K	95	Very high	94.5	Very high	62 Å²	62	28.8 Å²	28.8	27%	0.27	14%	0.138	S	C	.	.			trans	-114.6	1.3	-173.5	-71.5	-71.5	-164.7	149.8	0	114.2	E116 S144 Q147 A151 D152 Y153	E116-K149 VanDerWaalsContact CD-NZ 3.28Å; E116-K149 IonicContact OE1-NZ 3.97Å; E116-K149 PolarHBondContact OE1-NZ 2.97Å; E116-K149 VanDerWaalsContact OE1-NZ 3.13Å; E116-K149 IonicContact OE2-NZ 3.04Å; E116-K149 PolarHBondContact OE2-NZ 3.49Å; S144-K149 PolarHBondContact O-N 2.94Å; Q147-K149 HydrophobicContact CB-CB 4.26Å; Q147-K149 HydrophobicContact CB-CG 4.22Å; Q147-K149 WeakPolarHBondContact O-CG 3.37Å; Q147-K149 PolarHBondContact O-N 3.36Å; K149-A151 VanDerWaalsContact C-N 3.29Å; K149-A151 PolarHBondContact O-N 3.21Å; K149-D152 HydrophobicContact CD-CB 4.32Å; K149-D152 WeakPolarHBondContact CD-OD2 3.4Å; K149-D152 WeakPolarHBondContact O-CB 3.42Å; K149-D152 PolarHBondContact O-N 3.04Å; K149-Y153 HydrophobicContact CB-CD1 4.45Å; K149-Y153 HydrophobicContact CB-CD2 4.24Å; K149-Y153 HydrophobicContact CB-CE1 3.94Å; K149-Y153 HydrophobicContact CB-CE2 3.71Å; K149-Y153 PolarHBondContact O-N 2.95Å
150	L	96.2	Very high	94.5	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-52.4	-44.9	-177.6	-178.1	62	0	0	0	113.2	F78 F82 W140 L141 S144 I145 D152 Y153 V154 L187 L190	F78-L150 HydrophobicContact CE1-CD2 4.3Å; F78-L150 HydrophobicContact CZ-CD2 3.97Å; F82-L150 HydrophobicContact CD2-CD2 4.39Å; F82-L150 HydrophobicContact CE2-CD1 4.09Å; F82-L150 HydrophobicContact CE2-CD2 4.08Å; F82-L150 HydrophobicContact CE2-CG 4.28Å; F82-L150 HydrophobicContact CZ-CD1 3.8Å; F82-L150 HydrophobicContact CZ-CG 4.48Å; W140-L150 HydrophobicContact CH2-CD1 4.18Å; W140-L150 HydrophobicContact CZ3-CD1 4.4Å; L141-L150 HydrophobicContact CD1-CD1 3.67Å; L141-L150 HydrophobicContact CD1-CD2 3.62Å; L141-L150 HydrophobicContact CD1-CG 4.32Å; S144-L150 PolarHBondContact O-N 2.92Å; S144-L150 VanDerWaalsContact O-N 3.16Å; I145-L150 HydrophobicContact CD1-CD2 4.35Å; I145-L150 HydrophobicContact CG1-CB 4.49Å; I145-L150 HydrophobicContact CG1-CD2 3.89Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.12Å; L150-Y153 PolarHBondContact O-N 3.12Å; L150-V154 HydrophobicContact CD1-CG2 4.33Å; L150-V154 WeakPolarHBondContact O-CG2 3.35Å; L150-V154 PolarHBondContact O-N 2.94Å; L150-L187 HydrophobicContact CD2-CD2 4.27Å; L150-L187 HydrophobicContact CG-CD1 4.47Å; L150-L190 HydrophobicContact CD2-CD1 4Å
151	A	95.8	Very high	94.4	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-40.7	177.4	0	0	0	0	0	112.3	K149 V154 L155 L187 L188	K149-A151 VanDerWaalsContact C-N 3.29Å; K149-A151 PolarHBondContact O-N 3.21Å; A151-V154 PolarHBondContact O-N 2.97Å; A151-L155 WeakPolarHBondContact O-CG 3.46Å; A151-L155 PolarHBondContact O-N 2.99Å; A151-L187 HydrophobicContact CB-CB 3.85Å; A151-L188 HydrophobicContact CB-CD2 3.72Å; A151-L188 HydrophobicContact CB-CG 3.95Å
152	D	95.7	Very high	94.3	Very high	40 Å²	40	38.9 Å²	38.9	21%	0.214	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-42	179.4	-55.8	-58.4	0	0	0	111.1	K149 L150 L155 L156 R191	K149-D152 HydrophobicContact CD-CB 4.32Å; K149-D152 WeakPolarHBondContact CD-OD2 3.4Å; K149-D152 WeakPolarHBondContact O-CB 3.42Å; K149-D152 PolarHBondContact O-N 3.04Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.12Å; D152-L155 PolarHBondContact O-N 3.22Å; D152-L156 WeakPolarHBondContact O-CG 3.27Å; D152-L156 PolarHBondContact O-N 3.01Å; D152-R191 IonicContact OD1-CZ 3.86Å; D152-R191 IonicContact OD1-NH2 2.84Å; D152-R191 PolarHBondContact OD1-NH2 2.88Å; D152-R191 IonicContact OD2-CZ 3.49Å; D152-R191 IonicContact OD2-NH2 2.71Å; D152-R191 PolarHBondContact OD2-NH2 3Å
153	Y	96.7	Very high	94.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-39.1	177	-58.4	-28.9	0	0	0	112.2	E116 L117 A120 W140 S144 Q147 K149 L150 L156 L157	E116-Y153 HydrophobicContact CB-CE1 4.34Å; L117-Y153 HydrophobicContact CB-CD1 4.13Å; L117-Y153 HydrophobicContact CB-CE1 4.17Å; L117-Y153 HydrophobicContact CD1-CD1 3.9Å; L117-Y153 HydrophobicContact CD1-CD2 4.2Å; L117-Y153 HydrophobicContact CD1-CE1 4.28Å; L117-Y153 HydrophobicContact CD1-CG 3.86Å; A120-Y153 HydrophobicContact CB-CE2 4.26Å; W140-Y153 HydrophobicContact CZ2-CD2 4.14Å; W140-Y153 HydrophobicContact CZ2-CG 4.4Å; S144-Y153 VanDerWaalsContact OG-CD2 3.27Å; S144-Y153 WeakPolarHBondContact OG-CD2 3.49Å; S144-Y153 WeakPolarHBondContact OG-CE2 3.46Å; Q147-Y153 PolarHBondContact OE1-OH 3.24Å; K149-Y153 HydrophobicContact CB-CD1 4.45Å; K149-Y153 HydrophobicContact CB-CD2 4.24Å; K149-Y153 HydrophobicContact CB-CE1 3.94Å; K149-Y153 HydrophobicContact CB-CE2 3.71Å; K149-Y153 PolarHBondContact O-N 2.95Å; L150-Y153 PolarHBondContact O-N 3.12Å; Y153-L156 HydrophobicContact CD1-CD1 4.36Å; Y153-L156 PolarHBondContact O-N 3.41Å; Y153-L157 WeakPolarHBondContact O-CG 3.39Å; Y153-L157 PolarHBondContact O-N 3.42Å; Y153-L157 VanDerWaalsContact O-N 3.08Å
154	V	95.9	Very high	94	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-38.8	175.1	175.1	0	0	0	0	111.1	F82 L150 A151 L157 I158 L174 F183 A184 L187	F82-V154 HydrophobicContact CE2-CG2 4.05Å; F82-V154 HydrophobicContact CZ-CG2 3.9Å; L150-V154 HydrophobicContact CD1-CG2 4.33Å; L150-V154 WeakPolarHBondContact O-CG2 3.35Å; L150-V154 PolarHBondContact O-N 2.94Å; A151-V154 PolarHBondContact O-N 2.97Å; V154-L157 WeakPolarHBondContact O-CB 3.41Å; V154-L157 PolarHBondContact O-N 2.67Å; V154-I158 HydrophobicContact CG1-CD1 3.96Å; V154-I158 VanDerWaalsContact O-CG1 3.29Å; V154-I158 WeakPolarHBondContact O-CG1 3.32Å; V154-I158 PolarHBondContact O-N 3.37Å; V154-I158 VanDerWaalsContact O-N 3.07Å; V154-L174 HydrophobicContact CG1-CD2 4.12Å; V154-F183 HydrophobicContact CG1-CD1 4.18Å; V154-F183 HydrophobicContact CG1-CE1 4.12Å; V154-A184 HydrophobicContact CB-CB 4.46Å; V154-A184 HydrophobicContact CG1-CB 3.91Å; V154-L187 HydrophobicContact CB-CD1 4.11Å; V154-L187 HydrophobicContact CG1-CD1 4.23Å; V154-L187 HydrophobicContact CG2-CD1 3.81Å
155	L	95.1	Very high	93.9	Very high	47 Å²	47	41.8 Å²	41.8	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-44.6	172.6	-77	168.4	0	0	0	111.8	A151 D152 L157 I158 E159 A184	A151-L155 WeakPolarHBondContact O-CG 3.46Å; A151-L155 PolarHBondContact O-N 2.99Å; D152-L155 PolarHBondContact O-N 3.22Å; L155-L157 VanDerWaalsContact C-N 3.27Å; L155-L157 PolarHBondContact O-N 2.99Å; L155-I158 PolarHBondContact O-N 2.99Å; L155-E159 WeakPolarHBondContact O-CG 3.33Å; L155-E159 PolarHBondContact O-N 3.44Å; L155-A184 HydrophobicContact CD2-CB 3.67Å; L155-A184 HydrophobicContact CG-CB 3.82Å
156	L	94.8	Very high	93.8	Very high	42 Å²	42	45.9 Å²	45.9	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-37.7	175.6	-75.3	168.9	0	0	0	112.6	V110 D152 Y153 S160	V110-L156 HydrophobicContact CG1-CB 4.24Å; D152-L156 WeakPolarHBondContact O-CG 3.27Å; D152-L156 PolarHBondContact O-N 3.01Å; Y153-L156 HydrophobicContact CD1-CD1 4.36Å; Y153-L156 PolarHBondContact O-N 3.41Å; L156-S160 VanDerWaalsContact O-CB 3.29Å; L156-S160 WeakPolarHBondContact O-CB 3.35Å; L156-S160 PolarHBondContact O-N 2.94Å; L156-S160 VanDerWaalsContact O-N 3.1Å; L156-S160 PolarHBondContact O-OG 2.96Å
157	L	94.8	Very high	93.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-46.9	173	-68.5	176.6	0	0	0	110.9	I86 M106 L107 V110 Y153 V154 L155 S160 T164	I86-L157 HydrophobicContact CD1-CD1 4.41Å; M106-L157 HydrophobicContact CE-CD1 4.02Å; M106-L157 HydrophobicContact CE-CD2 3.75Å; M106-L157 HydrophobicContact CE-CG 4.46Å; M106-L157 HydrophobicContact CG-CD2 4.46Å; M106-L157 HydrophobicContact SD-CD2 4.4Å; L107-L157 HydrophobicContact CD2-CD1 4.15Å; L107-L157 HydrophobicContact CD2-CD2 4.01Å; L107-L157 HydrophobicContact CD2-CG 4.45Å; V110-L157 HydrophobicContact CB-CD2 4Å; V110-L157 HydrophobicContact CG1-CD2 4.15Å; V110-L157 HydrophobicContact CG2-CD2 3.71Å; Y153-L157 WeakPolarHBondContact O-CG 3.39Å; Y153-L157 PolarHBondContact O-N 3.42Å; Y153-L157 VanDerWaalsContact O-N 3.08Å; V154-L157 WeakPolarHBondContact O-CB 3.41Å; V154-L157 PolarHBondContact O-N 2.67Å; L155-L157 VanDerWaalsContact C-N 3.27Å; L155-L157 PolarHBondContact O-N 2.99Å; L157-S160 PolarHBondContact O-N 3.19Å; L157-T164 HydrophobicContact CB-CG2 4.48Å; L157-T164 WeakPolarHBondContact O-CG2 3.44Å
158	I	93.7	Very high	93.8	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-40.4	-178.3	-64.2	163.4	0	0	0	111.4	V154 L155 S160 K161 L174 A180 V181 A184	V154-I158 HydrophobicContact CG1-CD1 3.96Å; V154-I158 VanDerWaalsContact O-CG1 3.29Å; V154-I158 WeakPolarHBondContact O-CG1 3.32Å; V154-I158 PolarHBondContact O-N 3.37Å; V154-I158 VanDerWaalsContact O-N 3.07Å; L155-I158 PolarHBondContact O-N 2.99Å; I158-S160 VanDerWaalsContact C-N 3.3Å; I158-S160 PolarHBondContact O-N 3.42Å; I158-K161 WeakPolarHBondContact O-CG 3.45Å; I158-L174 HydrophobicContact CG1-CD2 4.37Å; I158-A180 HydrophobicContact CD1-CB 3.81Å; I158-A180 VanDerWaalsContact CD1-O 3.28Å; I158-A180 WeakPolarHBondContact CD1-O 3.45Å; I158-A180 HydrophobicContact CG1-CB 4Å; I158-A180 HydrophobicContact CG2-CB 4.13Å; I158-V181 HydrophobicContact CG2-CG2 4.27Å; I158-A184 HydrophobicContact CD1-CB 3.78Å
159	E	93.8	Very high	93.7	Very high	139 Å²	139	39.8 Å²	39.8	65%	0.65	21%	0.206	S	C	*	.	H	α-helix	trans	-68.2	-30.2	177.6	-71.7	174.5	176.6	0	0	112.2	L155 K161	L155-E159 WeakPolarHBondContact O-CG 3.33Å; L155-E159 PolarHBondContact O-N 3.44Å; E159-K161 PolarHBondContact O-N 2.99Å
160	S	93.5	Very high	93.4	Very high	31 Å²	31	44 Å²	44	22%	0.217	23%	0.227	C	C	.	.			trans	-82.1	54	179.6	-58.5	0	0	0	0	112.7	L156 L157 I158 S162 I163 T164	L156-S160 VanDerWaalsContact O-CB 3.29Å; L156-S160 WeakPolarHBondContact O-CB 3.35Å; L156-S160 PolarHBondContact O-N 2.94Å; L156-S160 VanDerWaalsContact O-N 3.1Å; L156-S160 PolarHBondContact O-OG 2.96Å; L157-S160 PolarHBondContact O-N 3.19Å; I158-S160 VanDerWaalsContact C-N 3.3Å; I158-S160 PolarHBondContact O-N 3.42Å; S160-S162 VanDerWaalsContact C-N 3.27Å; S160-S162 PolarHBondContact O-N 3.2Å; S160-I163 PolarHBondContact O-N 3.34Å; S160-T164 PolarHBondContact O-N 3.35Å; S160-T164 VanDerWaalsContact O-N 3.1Å; S160-T164 PolarHBondContact O-OG1 3.34Å
161	K	92.2	Very high	93	Very high	96 Å²	96	46.8 Å²	46.8	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-52	-41.6	-174.7	-62.3	-164.7	179.5	-159.7	0	113.4	I158 E159 I163 T164 D165 D177	I158-K161 WeakPolarHBondContact O-CG 3.45Å; E159-K161 PolarHBondContact O-N 2.99Å; K161-I163 PolarHBondContact O-N 3.28Å; K161-I163 VanDerWaalsContact O-N 3.13Å; K161-T164 WeakPolarHBondContact CA-OG1 3.49Å; K161-T164 PolarHBondContact O-N 3.47Å; K161-T164 PolarHBondContact O-OG1 3.03Å; K161-D165 VanDerWaalsContact O-CB 3.28Å; K161-D165 WeakPolarHBondContact O-CB 3.49Å; K161-D165 PolarHBondContact O-N 3.27Å; K161-D177 IonicContact NZ-OD1 3.32Å; K161-D177 PolarHBondContact NZ-OD1 3.34Å; K161-D177 IonicContact NZ-OD2 2.88Å; K161-D177 PolarHBondContact NZ-OD2 2.91Å
162	S	91.6	Very high	92.9	Very high	94 Å²	94	46.7 Å²	46.7	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-59.6	-26.9	179.2	58.4	0	0	0	0	114	S160	S160-S162 VanDerWaalsContact C-N 3.27Å; S160-S162 PolarHBondContact O-N 3.2Å
163	I	91.9	Very high	92.8	Very high	32 Å²	32	44.8 Å²	44.8	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-91.1	-46.9	178	-60.4	170.3	0	0	0	109.8	M106 R109 V110 S160 K161 D165 I166 Y167	M106-I163 HydrophobicContact CG-CG2 4.01Å; R109-I163 HydrophobicContact CB-CD1 4.06Å; R109-I163 HydrophobicContact CB-CG2 3.78Å; V110-I163 HydrophobicContact CG2-CB 4.16Å; V110-I163 HydrophobicContact CG2-CD1 3.86Å; V110-I163 HydrophobicContact CG2-CG2 3.91Å; S160-I163 PolarHBondContact O-N 3.34Å; K161-I163 PolarHBondContact O-N 3.28Å; K161-I163 VanDerWaalsContact O-N 3.13Å; I163-D165 VanDerWaalsContact C-N 3.29Å; I163-D165 PolarHBondContact O-N 2.9Å; I163-I166 WeakPolarHBondContact O-CB 3.34Å; I163-I166 PolarHBondContact O-N 3.32Å; I163-Y167 HydrophobicContact CG2-CD2 4.36Å; I163-Y167 HydrophobicContact CG2-CE2 4.03Å; I163-Y167 VanDerWaalsContact O-CD2 3.28Å; I163-Y167 WeakPolarHBondContact O-CD2 3.46Å
164	T	91.4	Very high	92.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-32.2	-178	46.2	0	0	0	0	112.9	M106 L157 S160 K161 I166 Y167 Y168	M106-T164 HydrophobicContact SD-CG2 3.89Å; L157-T164 HydrophobicContact CB-CG2 4.48Å; L157-T164 WeakPolarHBondContact O-CG2 3.44Å; S160-T164 PolarHBondContact O-N 3.35Å; S160-T164 VanDerWaalsContact O-N 3.1Å; S160-T164 PolarHBondContact O-OG1 3.34Å; K161-T164 WeakPolarHBondContact CA-OG1 3.49Å; K161-T164 PolarHBondContact O-N 3.47Å; K161-T164 PolarHBondContact O-OG1 3.03Å; T164-I166 PolarHBondContact O-N 3.45Å; T164-Y167 PolarHBondContact O-N 3.05Å; T164-Y167 VanDerWaalsContact O-N 3.12Å; T164-Y168 HydrophobicContact CG2-CD2 4.5Å; T164-Y168 PolarHBondContact O-N 3.47Å
165	D	91.5	Very high	92.5	Very high	65 Å²	65	47.3 Å²	47.3	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-26.7	175.8	-74.2	-2	0	0	0	113.5	R91 K161 I163 R175	R91-D165 PolarHBondContact NE-O 2.81Å; K161-D165 VanDerWaalsContact O-CB 3.28Å; K161-D165 WeakPolarHBondContact O-CB 3.49Å; K161-D165 PolarHBondContact O-N 3.27Å; I163-D165 VanDerWaalsContact C-N 3.29Å; I163-D165 PolarHBondContact O-N 2.9Å; D165-R175 VanDerWaalsContact CG-NH2 3.25Å; D165-R175 IonicContact OD1-CZ 3.27Å; D165-R175 IonicContact OD1-NE 2.94Å; D165-R175 PolarHBondContact OD1-NE 3.37Å; D165-R175 IonicContact OD1-NH2 3.57Å; D165-R175 PolarHBondContact OD1-NH2 2.88Å; D165-R175 IonicContact OD2-NH2 3.75Å
166	I	92	Very high	92.3	Very high	89 Å²	89	48.2 Å²	48.2	46%	0.456	24%	0.238	S	C	.	.	H	α-helix	trans	-71.5	-37.2	178.2	-58.2	172.4	0	0	0	110.8	R91 I163 T164	R91-I166 WeakPolarHBondContact CD-O 3.42Å; I163-I166 WeakPolarHBondContact O-CB 3.34Å; I163-I166 PolarHBondContact O-N 3.32Å; T164-I166 PolarHBondContact O-N 3.45Å
167	Y	91.6	Very high	91.9	Very high	15 Å²	15	50 Å²	50	6%	0.059	25%	0.248	C	C	.	.	H	α-helix	trans	-100.9	-24.2	-170	-64.1	-77.3	0	0	0	113.5	R91 D102 M106 R109 I163 T164	R91-Y167 PolarHBondContact N-O 3.42Å; D102-Y167 HydrophobicContact CB-CD1 3.86Å; D102-Y167 HydrophobicContact CB-CE1 4.18Å; D102-Y167 WeakPolarHBondContact O-CE1 3.36Å; M106-Y167 HydrophobicContact CB-CD2 3.58Å; M106-Y167 HydrophobicContact CB-CE2 3.64Å; M106-Y167 HydrophobicContact CB-CG 4.04Å; M106-Y167 HydrophobicContact CG-CD2 3.62Å; M106-Y167 HydrophobicContact CG-CE2 3.96Å; M106-Y167 HydrophobicContact CG-CG 4.33Å; M106-Y167 HydrophobicContact SD-CD2 4.23Å; R109-Y167 WeakPolarHBondContact CD-OH 3.32Å; R109-Y167 PolarHBondContact NE-OH 3.1Å; R109-Y167 VanDerWaalsContact NE-OH 3.08Å; R109-Y167 PolarHBondContact NH1-OH 3.28Å; R109-Y167 PolarHBondContact NH2-OH 3.02Å; I163-Y167 HydrophobicContact CG2-CD2 4.36Å; I163-Y167 HydrophobicContact CG2-CE2 4.03Å; I163-Y167 VanDerWaalsContact O-CD2 3.28Å; I163-Y167 WeakPolarHBondContact O-CD2 3.46Å; T164-Y167 PolarHBondContact O-N 3.05Å; T164-Y167 VanDerWaalsContact O-N 3.12Å
168	Y	93.4	Very high	91.4	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-116.3	141	-176.9	-67.6	-71.3	0	0	0	112.9	I86 G89 R91 M106 T164 A172 L174 R175	I86-Y168 WeakPolarHBondContact O-CE1 3.41Å; I86-Y168 VanDerWaalsContact O-CZ 3.23Å; I86-Y168 PolarHBondContact O-OH 3.07Å; G89-Y168 CarbonylContact O-C 3.56Å; G89-Y168 WeakPolarHBondContact O-CA 3.43Å; R91-Y168 PolarHBondContact NE-O 2.73Å; M106-Y168 HydrophobicContact CE-CE2 3.89Å; M106-Y168 HydrophobicContact SD-CD2 4.15Å; M106-Y168 HydrophobicContact SD-CE2 3.45Å; M106-Y168 WeakPolarHBondContact SD-CE2 3.28Å; T164-Y168 HydrophobicContact CG2-CD2 4.5Å; T164-Y168 PolarHBondContact O-N 3.47Å; Y168-A172 HydrophobicContact CD1-CB 3.9Å; Y168-A172 HydrophobicContact CG-CB 4.03Å; Y168-L174 HydrophobicContact CE2-CD1 4.1Å; Y168-R175 VanDerWaalsContact O-CD 3.31Å; Y168-R175 WeakPolarHBondContact O-CD 3.31Å; Y168-R175 PolarHBondContact O-NH1 3.4Å
169	E	91.2	Very high	91.3	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.271	27%	0.271	S	S	.	.			trans	-64.5	155	164.6	-65.1	-61.5	159.5	0	0	111.3	G89 R91 W171 A172 R175	G89-E169 WeakPolarHBondContact O-CB 3.36Å; G89-E169 PolarHBondContact O-N 3.28Å; R91-E169 HydrophobicContact CG-CG 4.03Å; R91-E169 WeakPolarHBondContact CG-OE1 3.27Å; R91-E169 IonicContact CZ-OE1 2.83Å; R91-E169 IonicContact CZ-OE2 3.84Å; R91-E169 IonicContact NH1-OE1 2.78Å; R91-E169 PolarHBondContact NH1-OE1 2.91Å; R91-E169 IonicContact NH1-OE2 3.59Å; R91-E169 PolarHBondContact NH1-OE2 2.93Å; R91-E169 IonicContact NH2-OE2 3.44Å; E169-W171 HydrophobicContact CB-CD2 4.32Å; E169-W171 HydrophobicContact CB-CG 4.29Å; E169-W171 HydrophobicContact CB-CZ2 4.25Å; E169-W171 HydrophobicContact CG-CZ2 4.26Å; E169-W171 PolarHBondContact O-N 3.49Å; E169-W171 VanDerWaalsContact O-N 3.12Å; E169-A172 WeakPolarHBondContact O-CB 3.48Å; E169-A172 PolarHBondContact O-N 2.76Å; E169-R175 VanDerWaalsContact C-NH1 3.35Å; E169-R175 WeakPolarHBondContact O-CD 3.44Å
170	E	88.5	Confident	91.3	Very high	150 Å²	150	46.6 Å²	46.6	70%	0.701	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28	-174.8	-169.9	177.5	177	0	0	113.5	A172	E170-A172 VanDerWaalsContact C-N 3.3Å; E170-A172 PolarHBondContact O-N 3.01Å
171	W	88.9	Confident	91.2	Very high	64 Å²	64	48.7 Å²	48.7	24%	0.242	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0	178.6	57.2	-92.3	0	0	0	114	R38 H88 G89 E169	R38-W171 HydrophobicContact CB-CB 4.45Å; R38-W171 HydrophobicContact CB-CD2 4.29Å; R38-W171 HydrophobicContact CB-CE3 4.13Å; R38-W171 HydrophobicContact CB-CG 4.43Å; R38-W171 HydrophobicContact CG-CD2 4.24Å; R38-W171 HydrophobicContact CG-CE3 4.27Å; H88-W171 AromaticContact CE1-CE3 3.58Å; H88-W171 AromaticContact CE1-CZ3 3.49Å; H88-W171 VanDerWaalsContact CE1-CZ3 3.49Å; H88-W171 WeakPolarHBondContact CE1-CZ3 3.37Å; H88-W171 AromaticContact ND1-CZ3 3.99Å; H88-W171 AromaticContact NE2-CZ3 3.76Å; G89-W171 VanDerWaalsContact CA-CH2 3.45Å; E169-W171 HydrophobicContact CB-CD2 4.32Å; E169-W171 HydrophobicContact CB-CG 4.29Å; E169-W171 HydrophobicContact CB-CZ2 4.25Å; E169-W171 HydrophobicContact CG-CZ2 4.26Å; E169-W171 PolarHBondContact O-N 3.49Å; E169-W171 VanDerWaalsContact O-N 3.12Å
172	A	93.3	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-60.3	153.2	179.9	0	0	0	0	0	113	H88 Y168 E169 E170 L174 R175 H176	H88-A172 WeakPolarHBondContact O-CA 3.08Å; H88-A172 WeakPolarHBondContact O-CB 3.41Å; Y168-A172 HydrophobicContact CD1-CB 3.9Å; Y168-A172 HydrophobicContact CG-CB 4.03Å; E169-A172 WeakPolarHBondContact O-CB 3.48Å; E169-A172 PolarHBondContact O-N 2.76Å; E170-A172 VanDerWaalsContact C-N 3.3Å; E170-A172 PolarHBondContact O-N 3.01Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 2.99Å; A172-R175 HydrophobicContact CB-CB 4.35Å; A172-R175 HydrophobicContact CB-CG 4.42Å; A172-R175 PolarHBondContact O-N 3.46Å; A172-H176 PolarHBondContact O-N 2.64Å
173	L	94	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-38.7	-176.6	-178	150.8	0	0	0	111.6	R42 L45 F46 A85 H88 T179 A180 F183	R42-L173 HydrophobicContact CG-CB 4.21Å; R42-L173 HydrophobicContact CG-CG 4.47Å; L45-L173 HydrophobicContact CB-CD1 4.25Å; L45-L173 HydrophobicContact CD2-CD1 4.21Å; L45-L173 HydrophobicContact CG-CD1 4.07Å; F46-L173 HydrophobicContact CB-CD1 4.29Å; A85-L173 HydrophobicContact CB-CD1 4.31Å; H88-L173 HydrophobicContact CB-CB 4.2Å; H88-L173 PolarHBondContact ND1-N 2.93Å; H88-L173 PolarHBondContact O-N 3.31Å; L173-T179 PolarHBondContact O-OG1 3.48Å; L173-A180 WeakPolarHBondContact O-CB 3.42Å; L173-A180 PolarHBondContact O-N 3.16Å; L173-F183 HydrophobicContact CD2-CB 4.21Å; L173-F183 HydrophobicContact CD2-CD1 3.79Å; L173-F183 HydrophobicContact CD2-CD2 4.48Å; L173-F183 HydrophobicContact CD2-CE1 4.25Å; L173-F183 HydrophobicContact CD2-CG 3.91Å
174	L	93.5	Very high	91.5	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.8	-178.8	-68.1	-179	0	0	0	114.5	I86 V154 I158 Y168 A172 A180 F183	I86-L174 HydrophobicContact CG1-CD1 3.89Å; V154-L174 HydrophobicContact CG1-CD2 4.12Å; I158-L174 HydrophobicContact CG1-CD2 4.37Å; Y168-L174 HydrophobicContact CE2-CD1 4.1Å; A172-L174 VanDerWaalsContact C-N 3.31Å; A172-L174 PolarHBondContact O-N 2.99Å; L174-A180 WeakPolarHBondContact O-CB 3.49Å; L174-F183 HydrophobicContact CD2-CD1 4.07Å; L174-F183 HydrophobicContact CD2-CE1 4.13Å
175	R	92.6	Very high	91.6	Very high	54 Å²	54	42.3 Å²	42.3	20%	0.204	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-26.2	176.7	-73.7	-170	66.1	-156.9	-2.7	113	D165 Y168 E169 A172 D177	D165-R175 VanDerWaalsContact CG-NH2 3.25Å; D165-R175 IonicContact OD1-CZ 3.27Å; D165-R175 IonicContact OD1-NE 2.94Å; D165-R175 PolarHBondContact OD1-NE 3.37Å; D165-R175 IonicContact OD1-NH2 3.57Å; D165-R175 PolarHBondContact OD1-NH2 2.88Å; D165-R175 IonicContact OD2-NH2 3.75Å; Y168-R175 VanDerWaalsContact O-CD 3.31Å; Y168-R175 WeakPolarHBondContact O-CD 3.31Å; Y168-R175 PolarHBondContact O-NH1 3.4Å; E169-R175 VanDerWaalsContact C-NH1 3.35Å; E169-R175 WeakPolarHBondContact O-CD 3.44Å; A172-R175 HydrophobicContact CB-CB 4.35Å; A172-R175 HydrophobicContact CB-CG 4.42Å; A172-R175 PolarHBondContact O-N 3.46Å; R175-D177 PolarHBondContact O-N 3.4Å
176	H	89.6	Confident	91.6	Very high	66 Å²	66	40.7 Å²	40.7	31%	0.306	22%	0.22	S	C	.	.			trans	-84.4	105.1	-177.9	-159.5	-82.3	0	0	0	111	R42 A172 S178 T179 A180	R42-H176 PolarHBondContact NH1-CD2 3.05Å; R42-H176 VanDerWaalsContact NH1-CD2 3.33Å; A172-H176 PolarHBondContact O-N 2.64Å; H176-S178 PolarHBondContact CE1-OG 3.03Å; H176-S178 PolarHBondContact ND1-OG 3.23Å; H176-S178 PolarHBondContact O-N 3.04Å; H176-T179 PolarHBondContact O-N 3.45Å; H176-T179 PolarHBondContact O-OG1 3.16Å; H176-A180 WeakPolarHBondContact O-CB 3.35Å; H176-A180 PolarHBondContact O-N 2.98Å
177	D	85.9	Confident	91.8	Very high	80 Å²	80	36.5 Å²	36.5	43%	0.428	20%	0.198	S	C	.	.	H	α-helix	trans	-52	-34.2	-173.4	-72.2	-23.5	0	0	0	113.2	K161 R175 T179 V181	K161-D177 IonicContact NZ-OD1 3.32Å; K161-D177 PolarHBondContact NZ-OD1 3.34Å; K161-D177 IonicContact NZ-OD2 2.88Å; K161-D177 PolarHBondContact NZ-OD2 2.91Å; R175-D177 PolarHBondContact O-N 3.4Å; D177-T179 VanDerWaalsContact C-N 3.25Å; D177-T179 PolarHBondContact O-N 3.34Å; D177-V181 PolarHBondContact O-N 3.39Å
178	S	86	Confident	91.9	Very high	73 Å²	73	39.1 Å²	39.1	51%	0.51	21%	0.213	S	C	.	.	H	α-helix	trans	-67.4	-19.7	179.8	85.2	0	0	0	0	114.7	H176 P182	H176-S178 PolarHBondContact CE1-OG 3.03Å; H176-S178 PolarHBondContact ND1-OG 3.23Å; H176-S178 PolarHBondContact O-N 3.04Å; S178-P182 WeakPolarHBondContact O-CG 3.4Å
179	T	90.8	Very high	91.7	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-114.4	-37.2	177.1	51.9	0	0	0	0	111.8	R42 F46 L173 H176 D177 F183	R42-T179 WeakPolarHBondContact CD-OG1 3.28Å; R42-T179 HydrophobicContact CG-CG2 4.19Å; F46-T179 HydrophobicContact CB-CG2 4.38Å; F46-T179 HydrophobicContact CD1-CG2 4.46Å; F46-T179 HydrophobicContact CG-CG2 4.35Å; L173-T179 PolarHBondContact O-OG1 3.48Å; H176-T179 PolarHBondContact O-N 3.45Å; H176-T179 PolarHBondContact O-OG1 3.16Å; D177-T179 VanDerWaalsContact C-N 3.25Å; D177-T179 PolarHBondContact O-N 3.34Å; T179-F183 WeakPolarHBondContact O-CB 3.36Å; T179-F183 PolarHBondContact O-N 2.88Å
180	A	93.6	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-53	-176.8	0	0	0	0	0	112.1	I158 L173 L174 H176 F183 A184	I158-A180 HydrophobicContact CD1-CB 3.81Å; I158-A180 VanDerWaalsContact CD1-O 3.28Å; I158-A180 WeakPolarHBondContact CD1-O 3.45Å; I158-A180 HydrophobicContact CG1-CB 4Å; I158-A180 HydrophobicContact CG2-CB 4.13Å; L173-A180 WeakPolarHBondContact O-CB 3.42Å; L173-A180 PolarHBondContact O-N 3.16Å; L174-A180 WeakPolarHBondContact O-CB 3.49Å; H176-A180 WeakPolarHBondContact O-CB 3.35Å; H176-A180 PolarHBondContact O-N 2.98Å; A180-F183 WeakPolarHBondContact O-CB 3.4Å; A180-F183 PolarHBondContact O-N 3.18Å; A180-A184 PolarHBondContact O-N 3.48Å
181	V	92.1	Very high	91.9	Very high	75 Å²	75	36.2 Å²	36.2	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-66	-46	-178.3	178.7	0	0	0	0	111.2	I158 D177 F183 A184 G185	I158-V181 HydrophobicContact CG2-CG2 4.27Å; D177-V181 PolarHBondContact O-N 3.39Å; V181-F183 VanDerWaalsContact C-N 3.32Å; V181-F183 PolarHBondContact O-N 3.24Å; V181-A184 PolarHBondContact O-N 2.94Å; V181-G185 PolarHBondContact O-N 2.99Å
182	P	92	Very high	91.8	Very high	53 Å²	53	35.5 Å²	35.5	34%	0.344	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-32	173.3	-27.7	39.2	0	0	0	114.5	F46 S178 G185 S186	F46-P182 HydrophobicContact CE2-CB 3.84Å; F46-P182 HydrophobicContact CZ-CB 3.62Å; S178-P182 WeakPolarHBondContact O-CG 3.4Å; P182-G185 PolarHBondContact O-N 3.39Å; P182-S186 PolarHBondContact O-N 3.01Å; P182-S186 PolarHBondContact O-OG 3.46Å
183	F	95	Very high	91.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-50.7	174.5	170.5	-111.5	0	0	0	110.3	F46 F82 A85 V154 L173 L174 T179 A180 V181 G185 S186 L187	F46-F183 HydrophobicContact CD2-CB 3.97Å; F46-F183 HydrophobicContact CE2-CB 4.1Å; F82-F183 AromaticContact CD2-CZ 3.83Å; F82-F183 HydrophobicContact CD2-CZ 3.83Å; F82-F183 HydrophobicContact CE2-CE1 4.27Å; F82-F183 AromaticContact CE2-CZ 3.89Å; F82-F183 HydrophobicContact CE2-CZ 3.89Å; A85-F183 HydrophobicContact CB-CE2 3.96Å; A85-F183 HydrophobicContact CB-CZ 3.77Å; V154-F183 HydrophobicContact CG1-CD1 4.18Å; V154-F183 HydrophobicContact CG1-CE1 4.12Å; L173-F183 HydrophobicContact CD2-CB 4.21Å; L173-F183 HydrophobicContact CD2-CD1 3.79Å; L173-F183 HydrophobicContact CD2-CD2 4.48Å; L173-F183 HydrophobicContact CD2-CE1 4.25Å; L173-F183 HydrophobicContact CD2-CG 3.91Å; L174-F183 HydrophobicContact CD2-CD1 4.07Å; L174-F183 HydrophobicContact CD2-CE1 4.13Å; T179-F183 WeakPolarHBondContact O-CB 3.36Å; T179-F183 PolarHBondContact O-N 2.88Å; A180-F183 WeakPolarHBondContact O-CB 3.4Å; A180-F183 PolarHBondContact O-N 3.18Å; V181-F183 VanDerWaalsContact C-N 3.32Å; V181-F183 PolarHBondContact O-N 3.24Å; F183-G185 VanDerWaalsContact C-N 3.31Å; F183-G185 PolarHBondContact O-N 3.35Å; F183-S186 WeakPolarHBondContact O-CB 3.29Å; F183-S186 PolarHBondContact O-N 3.21Å; F183-L187 HydrophobicContact CD1-CD1 4.46Å; F183-L187 HydrophobicContact CE1-CD1 4.04Å; F183-L187 HydrophobicContact CZ-CD1 4.15Å; F183-L187 PolarHBondContact O-N 3.38Å
184	A	94.4	Very high	91	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-40	175.7	0	0	0	0	0	112.2	V154 L155 I158 A180 V181 S186 L187	V154-A184 HydrophobicContact CB-CB 4.46Å; V154-A184 HydrophobicContact CG1-CB 3.91Å; L155-A184 HydrophobicContact CD2-CB 3.67Å; L155-A184 HydrophobicContact CG-CB 3.82Å; I158-A184 HydrophobicContact CD1-CB 3.78Å; A180-A184 PolarHBondContact O-N 3.48Å; V181-A184 PolarHBondContact O-N 2.94Å; A184-S186 VanDerWaalsContact C-N 3.28Å; A184-S186 PolarHBondContact O-N 3.28Å; A184-L187 WeakPolarHBondContact O-CB 3.33Å; A184-L187 PolarHBondContact O-N 2.91Å; A184-L187 VanDerWaalsContact O-N 3.14Å
185	G	93	Very high	90.6	Very high	36 Å²	36	40.3 Å²	40.3	37%	0.371	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-34.6	173.4	0	0	0	0	0	113.3	V181 P182 F183 L187 L188	V181-G185 PolarHBondContact O-N 2.99Å; P182-G185 PolarHBondContact O-N 3.39Å; F183-G185 VanDerWaalsContact C-N 3.31Å; F183-G185 PolarHBondContact O-N 3.35Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 3.3Å; G185-L188 WeakPolarHBondContact O-CB 3.4Å; G185-L188 PolarHBondContact O-N 2.86Å
186	S	93.3	Very high	90.1	Very high	30 Å²	30	44.1 Å²	44.1	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-32.4	176.1	-57.4	0	0	0	0	112	P182 F183 A184 L188	P182-S186 PolarHBondContact O-N 3.01Å; P182-S186 PolarHBondContact O-OG 3.46Å; F183-S186 WeakPolarHBondContact O-CB 3.29Å; F183-S186 PolarHBondContact O-N 3.21Å; A184-S186 VanDerWaalsContact C-N 3.28Å; A184-S186 PolarHBondContact O-N 3.28Å; S186-L188 VanDerWaalsContact C-N 3.26Å; S186-L188 PolarHBondContact O-N 2.88Å
187	L	95.7	Very high	89.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-20.3	178.3	-62.6	170	0	0	0	113.2	I53 F78 F82 L150 A151 V154 F183 A184 G185 G189 L190	I53-L187 HydrophobicContact CD1-CD2 3.66Å; I53-L187 HydrophobicContact CD1-CG 4.28Å; I53-L187 HydrophobicContact CG1-CD2 4.28Å; F78-L187 HydrophobicContact CE2-CD2 3.81Å; F78-L187 HydrophobicContact CZ-CD2 3.81Å; F82-L187 HydrophobicContact CD2-CD1 4.46Å; F82-L187 HydrophobicContact CD2-CD2 4.13Å; F82-L187 HydrophobicContact CE2-CD1 3.81Å; F82-L187 HydrophobicContact CE2-CD2 4.24Å; L150-L187 HydrophobicContact CD2-CD2 4.27Å; L150-L187 HydrophobicContact CG-CD1 4.47Å; A151-L187 HydrophobicContact CB-CB 3.85Å; V154-L187 HydrophobicContact CB-CD1 4.11Å; V154-L187 HydrophobicContact CG1-CD1 4.23Å; V154-L187 HydrophobicContact CG2-CD1 3.81Å; F183-L187 HydrophobicContact CD1-CD1 4.46Å; F183-L187 HydrophobicContact CE1-CD1 4.04Å; F183-L187 HydrophobicContact CZ-CD1 4.15Å; F183-L187 PolarHBondContact O-N 3.38Å; A184-L187 WeakPolarHBondContact O-CB 3.33Å; A184-L187 PolarHBondContact O-N 2.91Å; A184-L187 VanDerWaalsContact O-N 3.14Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 3.3Å; L187-G189 PolarHBondContact O-N 3.31Å; L187-G189 VanDerWaalsContact O-N 3.17Å; L187-L190 HydrophobicContact CB-CD1 4.32Å; L187-L190 HydrophobicContact CD2-CD1 3.62Å; L187-L190 VanDerWaalsContact O-CB 3.27Å; L187-L190 WeakPolarHBondContact O-CB 3.43Å; L187-L190 WeakPolarHBondContact O-CG 3.05Å; L187-L190 PolarHBondContact O-N 2.98Å
188	L	92.9	Very high	89.6	Confident	69 Å²	69	43 Å²	43	36%	0.361	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-57.4	-31.2	178.5	-73.1	167.4	0	0	0	112.5	A151 G185 S186 L190 R191	A151-L188 HydrophobicContact CB-CD2 3.72Å; A151-L188 HydrophobicContact CB-CG 3.95Å; G185-L188 WeakPolarHBondContact O-CB 3.4Å; G185-L188 PolarHBondContact O-N 2.86Å; S186-L188 VanDerWaalsContact C-N 3.26Å; S186-L188 PolarHBondContact O-N 2.88Å; L188-L190 PolarHBondContact O-N 3.45Å; L188-R191 WeakPolarHBondContact O-CB 3.47Å; L188-R191 WeakPolarHBondContact O-CG 3.22Å; L188-R191 PolarHBondContact O-N 3.45Å
189	G	89.5	Confident	89.3	Confident	30 Å²	30	41.8 Å²	41.8	31%	0.309	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.5	-28.1	177.1	0	0	0	0	0	113.3	L57 L187 R191 A192	L57-G189 VanDerWaalsContact CD2-O 3.27Å; L57-G189 WeakPolarHBondContact CD2-O 3.27Å; L187-G189 PolarHBondContact O-N 3.31Å; L187-G189 VanDerWaalsContact O-N 3.17Å; G189-R191 PolarHBondContact O-N 3.16Å; G189-R191 VanDerWaalsContact O-N 3.08Å; G189-A192 WeakPolarHBondContact O-CB 3.38Å; G189-A192 PolarHBondContact O-N 3.08Å
190	L	92.1	Very high	88.7	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65	-14.9	-179.3	-57.2	175.6	0	0	0	113.1	I53 L56 F78 L150 L187 L188 A192 L193	I53-L190 HydrophobicContact CG2-CD2 4.1Å; I53-L190 HydrophobicContact CG2-CG 4.49Å; L56-L190 HydrophobicContact CD2-CD2 3.9Å; F78-L190 HydrophobicContact CE1-CD1 3.95Å; F78-L190 HydrophobicContact CE2-CD1 3.84Å; F78-L190 HydrophobicContact CZ-CD1 3.36Å; L150-L190 HydrophobicContact CD2-CD1 4Å; L187-L190 HydrophobicContact CB-CD1 4.32Å; L187-L190 HydrophobicContact CD2-CD1 3.62Å; L187-L190 VanDerWaalsContact O-CB 3.27Å; L187-L190 WeakPolarHBondContact O-CB 3.43Å; L187-L190 WeakPolarHBondContact O-CG 3.05Å; L187-L190 PolarHBondContact O-N 2.98Å; L188-L190 PolarHBondContact O-N 3.45Å; L190-A192 PolarHBondContact O-N 3.33Å; L190-L193 HydrophobicContact CB-CD1 4.18Å; L190-L193 HydrophobicContact CD2-CD1 3.54Å; L190-L193 HydrophobicContact CD2-CG 4.47Å; L190-L193 HydrophobicContact CG-CD1 4.46Å; L190-L193 WeakPolarHBondContact O-CB 3.4Å; L190-L193 PolarHBondContact O-N 3.36Å; L190-L193 VanDerWaalsContact O-N 3.15Å
191	R	91.2	Very high	87.7	Confident	112 Å²	112	51.2 Å²	51.2	42%	0.423	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22.3	171.6	-67.2	-175.7	172.3	159.3	2.6	113.2	K148 D152 L188 G189 L193	K148-R191 HydrophobicContact CB-CB 4.47Å; K148-R191 HydrophobicContact CB-CG 4.21Å; K148-R191 WeakPolarHBondContact O-CG 3.33Å; K148-R191 PolarHBondContact O-NE 2.92Å; D152-R191 IonicContact OD1-CZ 3.86Å; D152-R191 IonicContact OD1-NH2 2.84Å; D152-R191 PolarHBondContact OD1-NH2 2.88Å; D152-R191 IonicContact OD2-CZ 3.49Å; D152-R191 IonicContact OD2-NH2 2.71Å; D152-R191 PolarHBondContact OD2-NH2 3Å; L188-R191 WeakPolarHBondContact O-CB 3.47Å; L188-R191 WeakPolarHBondContact O-CG 3.22Å; L188-R191 PolarHBondContact O-N 3.45Å; G189-R191 PolarHBondContact O-N 3.16Å; G189-R191 VanDerWaalsContact O-N 3.08Å; R191-L193 VanDerWaalsContact C-N 3.34Å
192	A	86.9	Confident	86.8	Confident	48 Å²	48	54.3 Å²	54.3	40%	0.397	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-83.3	-8.9	179.6	0	0	0	0	0	114	G189 L190	G189-A192 WeakPolarHBondContact O-CB 3.38Å; G189-A192 PolarHBondContact O-N 3.08Å; L190-A192 PolarHBondContact O-N 3.33Å
193	L	86.4	Confident	86.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.			trans	-80.6	143.7	-179.5	-59	-179.4	0	0	0	110.4	L56 L57 A60 I68 K148 L190 R191	L56-L193 HydrophobicContact CD2-CD1 3.62Å; L56-L193 HydrophobicContact CG-CD1 3.89Å; L57-L193 HydrophobicContact CD2-CD2 3.91Å; L57-L193 HydrophobicContact CD2-CG 4.23Å; A60-L193 HydrophobicContact CB-CD2 3.16Å; I68-L193 HydrophobicContact CD1-CD2 3.87Å; K148-L193 WeakPolarHBondContact CE-O 3.37Å; K148-L193 PolarHBondContact NZ-O 3.31Å; L190-L193 HydrophobicContact CB-CD1 4.18Å; L190-L193 HydrophobicContact CD2-CD1 3.54Å; L190-L193 HydrophobicContact CD2-CG 4.47Å; L190-L193 HydrophobicContact CG-CD1 4.46Å; L190-L193 WeakPolarHBondContact O-CB 3.4Å; L190-L193 PolarHBondContact O-N 3.36Å; L190-L193 VanDerWaalsContact O-N 3.15Å; R191-L193 VanDerWaalsContact C-N 3.34Å
194	N	85.1	Confident	85.6	Confident	88 Å²	88	54.5 Å²	54.5	47%	0.471	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.5	158.5	-70.6	-34.9	0	0	0	107.1	D65 R66 C67 I68	D65-N194 PolarHBondContact O-ND2 2.76Å; R66-N194 PolarHBondContact O-N 3.24Å; C67-N194 CarbonylContact C-O 3.46Å; C67-N194 VanDerWaalsContact CA-O 3.25Å; C67-N194 WeakPolarHBondContact CA-O 3.39Å; I68-N194 PolarHBondContact N-O 3.12Å
195	C	84.9	Confident	85.1	Confident	18 Å²	18	58.7 Å²	58.7	12%	0.122	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.7	-178.1	-56.1	0	0	0	0	109.1	I68 I145 L197	I68-C195 WeakPolarHBondContact O-CA 3.22Å; I145-C195 HydrophobicContact CG2-CB 4.46Å; C195-L197 HydrophobicContact CB-CD1 4Å; C195-L197 HydrophobicContact CB-CD2 3.85Å; C195-L197 HydrophobicContact CB-CG 3.68Å
196	E	80.8	Confident	84.5	Confident	134 Å²	134	60.1 Å²	60.1	63%	0.626	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	94.9	169.3	-70.5	-179.1	-171.6	0	0	107.7	I68	I68-E196 PolarHBondContact O-N 3.12Å
197	L	85.8	Confident	84.1	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.094	32%	0.321	C	S	.	.			trans	-110.6	132.3	-175.7	-51.8	176.6	0	0	0	110.5	A70 L75 F79 R142 I145 I146 C195	A70-L197 HydrophobicContact CB-CD2 4.47Å; L75-L197 HydrophobicContact CD2-CD2 3.56Å; F79-L197 HydrophobicContact CZ-CD1 4.05Å; F79-L197 HydrophobicContact CZ-CD2 4.18Å; R142-L197 HydrophobicContact CB-CB 4.24Å; R142-L197 HydrophobicContact CB-CD1 3.9Å; R142-L197 HydrophobicContact CG-CB 4.42Å; R142-L197 HydrophobicContact CG-CD1 4.08Å; I145-L197 HydrophobicContact CB-CD1 4.25Å; I145-L197 HydrophobicContact CG2-CD1 4.23Å; I146-L197 HydrophobicContact CD1-CB 4.03Å; I146-L197 HydrophobicContact CG1-CB 4.34Å; I146-L197 HydrophobicContact CG1-CD1 4.21Å; I146-L197 HydrophobicContact CG1-CG 4.46Å; C195-L197 HydrophobicContact CB-CD1 4Å; C195-L197 HydrophobicContact CB-CD2 3.85Å; C195-L197 HydrophobicContact CB-CG 3.68Å
198	F	80.6	Confident	83.7	Confident	105 Å²	105	62.8 Å²	62.8	46%	0.461	34%	0.341	S	S	.	.			trans	-92.3	143.7	174.8	-55.7	-72.3	0	0	0	111.3	A70 R142 D203	A70-F198 HydrophobicContact CB-CD2 4.24Å; R142-F198 WeakPolarHBondContact CD-O 3.47Å; R142-F198 PolarHBondContact NH1-O 2.97Å; F198-D203 VanDerWaalsContact CB-OD2 3.24Å; F198-D203 WeakPolarHBondContact CB-OD2 3.41Å
199	L	80.3	Confident	83.2	Confident	48 Å²	48	62.8 Å²	62.8	25%	0.251	35%	0.35	S	S	.	.			trans	-104.1	21	177.6	-61.4	176.3	0	0	0	112.5	A139 R142	A139-L199 HydrophobicContact CB-CD2 4.15Å; R142-L199 HydrophobicContact CB-CD2 3.89Å
200	K	76.4	Confident	83.1	Confident	140 Å²	140	66.7 Å²	66.7	61%	0.609	36%	0.364	S	S	*	.			trans	-76.8	146	176.1	-61.8	179	-179.5	175.2	0	110.3	D202 D203 L204	K200-D202 VanDerWaalsContact C-N 3.33Å; K200-D202 PolarHBondContact O-N 3.07Å; K200-D203 PolarHBondContact O-N 3.03Å; K200-L204 VanDerWaalsContact O-CG 3.27Å; K200-L204 WeakPolarHBondContact O-CG 3.43Å; K200-L204 PolarHBondContact O-N 3.46Å; K200-L204 VanDerWaalsContact O-N 3.12Å
201	E	72.7	Confident	82.8	Confident	61 Å²	61	67.5 Å²	67.5	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-40.5	-174.5	-165.3	167	-141.6	0	0	112.3	H129 D203 L204 M205	H129-E201 WeakPolarHBondContact O-CB 3.48Å; E201-D203 PolarHBondContact O-N 2.99Å; E201-L204 WeakPolarHBondContact O-CB 3.35Å; E201-L204 PolarHBondContact O-N 2.93Å; E201-L204 VanDerWaalsContact O-N 3.09Å; E201-M205 HydrophobicContact CG-CG 4.05Å; E201-M205 VanDerWaalsContact O-CG 3.3Å; E201-M205 WeakPolarHBondContact O-CG 3.45Å; E201-M205 PolarHBondContact O-N 2.97Å
202	D	74.4	Confident	82.6	Confident	139 Å²	139	65.9 Å²	65.9	74%	0.743	37%	0.369	S	S	*	.	H	α-helix	trans	-57.4	-46.9	178.5	-60.4	-33.8	0	0	0	111.9	K200 L204 M205 G206	K200-D202 VanDerWaalsContact C-N 3.33Å; K200-D202 PolarHBondContact O-N 3.07Å; D202-L204 VanDerWaalsContact C-N 3.3Å; D202-L204 PolarHBondContact O-N 2.96Å; D202-M205 PolarHBondContact O-N 3.37Å; D202-G206 PolarHBondContact O-N 2.94Å
203	D	78.1	Confident	82.5	Confident	59 Å²	59	67.8 Å²	67.8	32%	0.316	37%	0.372	S	S	.	.	H	α-helix	trans	-67.1	-33.5	178.4	-54.9	-35.7	0	0	0	111.5	R142 F198 K200 E201	R142-D203 PolarHBondContact NH1-O 3.44Å; R142-D203 PolarHBondContact NH2-O 2.92Å; F198-D203 VanDerWaalsContact CB-OD2 3.24Å; F198-D203 WeakPolarHBondContact CB-OD2 3.41Å; K200-D203 PolarHBondContact O-N 3.03Å; E201-D203 PolarHBondContact O-N 2.99Å
204	L	83.3	Confident	82.3	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-71.9	-35	179.3	-69.9	165.6	0	0	0	111.6	V130 R138 A139 R142 K200 E201 D202	V130-L204 HydrophobicContact CG1-CD1 4.36Å; V130-L204 HydrophobicContact CG2-CD1 3.79Å; R138-L204 HydrophobicContact CB-CD2 3.67Å; R138-L204 WeakPolarHBondContact CD-O 3.44Å; R138-L204 PolarHBondContact NH1-O 3.22Å; A139-L204 HydrophobicContact CB-CD1 3.93Å; A139-L204 HydrophobicContact CB-CD2 4.09Å; R142-L204 VanDerWaalsContact NH1-CD2 3.3Å; K200-L204 VanDerWaalsContact O-CG 3.27Å; K200-L204 WeakPolarHBondContact O-CG 3.43Å; K200-L204 PolarHBondContact O-N 3.46Å; K200-L204 VanDerWaalsContact O-N 3.12Å; E201-L204 WeakPolarHBondContact O-CB 3.35Å; E201-L204 PolarHBondContact O-N 2.93Å; E201-L204 VanDerWaalsContact O-N 3.09Å; D202-L204 VanDerWaalsContact C-N 3.3Å; D202-L204 PolarHBondContact O-N 2.96Å
205	M	83	Confident	82.1	Confident	88 Å²	88	69.4 Å²	69.4	43%	0.433	39%	0.387	S	S	.	.	H	α-helix	trans	-87.1	-21.7	-174.3	-63.2	-52	-64.9	0	0	113.5	E201 D202 Q207	E201-M205 HydrophobicContact CG-CG 4.05Å; E201-M205 VanDerWaalsContact O-CG 3.3Å; E201-M205 WeakPolarHBondContact O-CG 3.45Å; E201-M205 PolarHBondContact O-N 2.97Å; D202-M205 PolarHBondContact O-N 3.37Å; M205-Q207 PolarHBondContact O-N 3.34Å; M205-Q207 VanDerWaalsContact O-N 3.11Å
206	G	81.2	Confident	81.8	Confident	66 Å²	66	69.4 Å²	69.4	68%	0.68	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	7.5	179.8	0	0	0	0	0	117.3	D202	D202-G206 PolarHBondContact O-N 2.94Å
207	Q	85.5	Confident	81.6	Confident	24 Å²	24	67.3 Å²	67.3	11%	0.112	38%	0.378	C	S	.	.			trans	-71.2	133.9	-177.6	-169.2	-175.9	-68.4	0	0	112.1	V80 E83 M205	V80-Q207 HydrophobicContact CG2-CG 3.63Å; E83-Q207 PolarHBondContact OE2-NE2 3.32Å; M205-Q207 PolarHBondContact O-N 3.34Å; M205-Q207 VanDerWaalsContact O-N 3.11Å
208	P	87	Confident	80.7	Confident	65 Å²	65	73.8 Å²	73.8	42%	0.422	41%	0.405	S	S	.	.			trans	-64.1	156.4	178.1	23.4	-30.1	0	0	0	112.6	I76 V80	I76-P208 VanDerWaalsContact CG2-CD 3.47Å; I76-P208 HydrophobicContact CG2-CG 3.64Å; V80-P208 HydrophobicContact CG2-CG 3.97Å; V80-P208 WeakPolarHBondContact CG2-O 3.34Å
209	A	82.5	Confident	79.7	Confident	68 Å²	68	75.3 Å²	75.3	56%	0.562	42%	0.417	S	S	*	.	S	Bend	trans	-78.7	-28.2	-177.2	0	0	0	0	0	113.3	K84	K84-A209 WeakPolarHBondContact CE-O 3.35Å; K84-A209 PolarHBondContact NZ-O 2.91Å
210	D	86.3	Confident	78.2	Confident	113 Å²	113	78.9 Å²	78.9	60%	0.604	44%	0.443	S	S	*	.	S	Bend	trans	-121.2	157.3	-172.1	-71.4	-44.8	0	0	0	113.4	K84	K84-D210 IonicContact NZ-OD1 2.8Å; K84-D210 PolarHBondContact NZ-OD1 3.3Å
211	V	86.7	Confident	76.6	Confident	24 Å²	24	77.4 Å²	77.4	15%	0.145	45%	0.451	C	S	.	.			trans	-87.1	123.6	-178.2	179	0	0	0	0	107.9	L48 N77 V80 T81 K84 L213 M216	L48-V211 HydrophobicContact CD1-CG1 4.23Å; L48-V211 HydrophobicContact CD2-CB 4.36Å; L48-V211 HydrophobicContact CD2-CG1 4.11Å; L48-V211 HydrophobicContact CD2-CG2 4.17Å; L48-V211 HydrophobicContact CG-CG1 4.29Å; N77-V211 WeakPolarHBondContact OD1-CA 3.47Å; N77-V211 WeakPolarHBondContact OD1-CG1 3.36Å; V80-V211 HydrophobicContact CB-CG2 4.32Å; V80-V211 HydrophobicContact CG1-CG2 3.73Å; T81-V211 WeakPolarHBondContact OG1-CG1 3.41Å; T81-V211 WeakPolarHBondContact OG1-CG2 3.28Å; K84-V211 HydrophobicContact CD-CG2 4.12Å; V211-L213 HydrophobicContact CG1-CD2 4.16Å; V211-L213 PolarHBondContact O-N 3.28Å; V211-M216 HydrophobicContact CG1-CE 3.45Å; V211-M216 VanDerWaalsContact CG1-CE 3.45Å
212	D	86	Confident	75	Confident	77 Å²	77	79.1 Å²	79.1	41%	0.412	46%	0.461	S	S	.	.			trans	-80	103.1	174.3	-172.3	-8.8	0	0	0	109.6	N77 S214 I215	N77-D212 PolarHBondContact ND2-O 2.9Å; N77-D212 PolarHBondContact OD1-N 3.03Å; D212-S214 VanDerWaalsContact C-N 3.27Å; D212-S214 VanDerWaalsContact CG-OG 3.26Å; D212-S214 PolarHBondContact O-N 3.45Å; D212-S214 VanDerWaalsContact OD1-CB 3.26Å; D212-S214 WeakPolarHBondContact OD1-CB 3.4Å; D212-S214 PolarHBondContact OD1-N 2.84Å; D212-S214 PolarHBondContact OD1-OG 3.04Å; D212-S214 PolarHBondContact OD2-OG 2.95Å; D212-I215 HydrophobicContact CB-CD1 3.94Å; D212-I215 HydrophobicContact CB-CG1 4.3Å
213	L	85.1	Confident	73.6	Confident	88 Å²	88	74.6 Å²	74.6	46%	0.461	44%	0.441	S	S	.	.	S	Bend	trans	-70.3	-24.7	-179.8	-60	-178.1	0	0	0	112.5	L48 V211 I215 M216 I217	L48-L213 HydrophobicContact CD1-CD2 3.41Å; L48-L213 VanDerWaalsContact CD1-CD2 3.41Å; V211-L213 HydrophobicContact CG1-CD2 4.16Å; V211-L213 PolarHBondContact O-N 3.28Å; L213-I215 PolarHBondContact O-N 2.99Å; L213-M216 HydrophobicContact CD2-CE 3.57Å; L213-M216 PolarHBondContact O-N 2.71Å; L213-M216 VanDerWaalsContact O-N 3.08Å; L213-I217 HydrophobicContact CB-CD1 4.12Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 2.66Å
214	S	82.3	Confident	72.2	Confident	86 Å²	86	75.7 Å²	75.7	60%	0.601	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.8	-175.5	72.6	0	0	0	0	112.1	D212 M216	D212-S214 VanDerWaalsContact C-N 3.27Å; D212-S214 VanDerWaalsContact CG-OG 3.26Å; D212-S214 PolarHBondContact O-N 3.45Å; D212-S214 VanDerWaalsContact OD1-CB 3.26Å; D212-S214 WeakPolarHBondContact OD1-CB 3.4Å; D212-S214 PolarHBondContact OD1-N 2.84Å; D212-S214 PolarHBondContact OD1-OG 3.04Å; D212-S214 PolarHBondContact OD2-OG 2.95Å; S214-M216 VanDerWaalsContact C-N 3.34Å; S214-M216 PolarHBondContact O-N 3.33Å
215	I	80.3	Confident	70.7	Confident	37 Å²	37	82.7 Å²	82.7	19%	0.19	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.1	-179.5	-52.8	173.4	0	0	0	111.9	S55 A73 Q74 D212 L213	S55-I215 PolarHBondContact OG-O 2.77Å; A73-I215 HydrophobicContact CB-CD1 3.7Å; Q74-I215 HydrophobicContact CG-CG2 3.66Å; D212-I215 HydrophobicContact CB-CD1 3.94Å; D212-I215 HydrophobicContact CB-CG1 4.3Å; L213-I215 PolarHBondContact O-N 2.99Å
216	M	78.7	Confident	69.1	Low	18 Å²	18	83.4 Å²	83.4	9%	0.089	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-31	-177.3	-69	-176.5	-67.2	0	0	113.1	L48 L51 A52 V211 L213 S214 K218	L48-M216 HydrophobicContact CD1-CE 3.4Å; L48-M216 HydrophobicContact CD1-SD 4.25Å; L48-M216 HydrophobicContact CG-CE 4.27Å; L51-M216 HydrophobicContact CB-CB 4.29Å; L51-M216 HydrophobicContact CB-CG 4.44Å; L51-M216 HydrophobicContact CB-SD 3.85Å; A52-M216 VanDerWaalsContact CA-SD 3.52Å; A52-M216 HydrophobicContact CB-SD 3.73Å; A52-M216 PolarHBondContact N-SD 2.87Å; V211-M216 HydrophobicContact CG1-CE 3.45Å; V211-M216 VanDerWaalsContact CG1-CE 3.45Å; L213-M216 HydrophobicContact CD2-CE 3.57Å; L213-M216 PolarHBondContact O-N 2.71Å; L213-M216 VanDerWaalsContact O-N 3.08Å; S214-M216 VanDerWaalsContact C-N 3.34Å; S214-M216 PolarHBondContact O-N 3.33Å; M216-K218 PolarHBondContact O-N 2.87Å
217	I	76.9	Confident	67.3	Low	90 Å²	90	84.9 Å²	84.9	46%	0.462	48%	0.483	S	S	.	.			trans	-94.4	91	-175.6	-54.8	174.3	0	0	0	108.6	L213 L219	L213-I217 HydrophobicContact CB-CD1 4.12Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 2.66Å; I217-L219 HydrophobicContact CG2-CD1 3.66Å; I217-L219 HydrophobicContact CG2-CG 4.23Å; I217-L219 PolarHBondContact O-N 2.96Å; I217-L219 VanDerWaalsContact O-N 3.09Å
218	K	67.6	Low	65.5	Low	154 Å²	154	89.1 Å²	89.1	67%	0.67	51%	0.507	S	S	*	.			trans	-75.8	89.6	164.5	-69.7	176.2	-177.1	166.1	0	108.2	E58 M216	E58-K218 IonicContact OE2-NZ 2.72Å; E58-K218 PolarHBondContact OE2-NZ 3.13Å; M216-K218 PolarHBondContact O-N 2.87Å
219	L	59.3	Low	63.9	Low	136 Å²	136	90.3 Å²	90.3	71%	0.712	51%	0.509	S	S	*	.			trans	-60	141.7	163.4	-76.8	100	0	0	0	108	I217 S221	I217-L219 HydrophobicContact CG2-CD1 3.66Å; I217-L219 HydrophobicContact CG2-CG 4.23Å; I217-L219 PolarHBondContact O-N 2.96Å; I217-L219 VanDerWaalsContact O-N 3.09Å; L219-S221 PolarHBondContact O-N 3.19Å
220	P	48.3	Very low	62.4	Low	124 Å²	124	89.4 Å²	89.4	81%	0.805	50%	0.502	S	S	*	.			trans	-48.8	115.9	172.2	-22.8	31.4	0	0	0	108.1	L222	P220-L222 VanDerWaalsContact C-N 3.31Å; P220-L222 PolarHBondContact O-N 2.95Å
221	S	42.5	Very low	60.4	Low	109 Å²	109	89.1 Å²	89.1	76%	0.762	50%	0.5	S	S	*	.			trans	-59.7	96.7	178.9	51	0	0	0	0	108.1	L219 S223	L219-S221 PolarHBondContact O-N 3.19Å; S221-S223 PolarHBondContact O-N 3.3Å; S221-S223 VanDerWaalsContact O-N 3.17Å
222	L	39.5	Very low	58.7	Low	97 Å²	97	89.6 Å²	89.6	51%	0.508	50%	0.504	S	S	.	.			trans	-50.2	117.6	144.2	-67.4	166.6	0	0	0	103.8	P220 Q226 M227	P220-L222 VanDerWaalsContact C-N 3.31Å; P220-L222 PolarHBondContact O-N 2.95Å; L222-Q226 HydrophobicContact CB-CB 3.89Å; L222-Q226 HydrophobicContact CD2-CB 4.37Å; L222-M227 HydrophobicContact CB-CG 4.47Å
223	S	45.8	Very low	57	Low	44 Å²	44	90.4 Å²	90.4	31%	0.308	51%	0.508	S	S	.	.			trans	-48	151.6	-175.4	58.5	0	0	0	0	109.6	S221 E225 Q226 M227	S221-S223 PolarHBondContact O-N 3.3Å; S221-S223 VanDerWaalsContact O-N 3.17Å; S223-E225 CarbonylContact O-C 3.57Å; S223-E225 PolarHBondContact O-N 3.27Å; S223-Q226 CarbonylContact O-C 3.21Å; S223-Q226 VanDerWaalsContact O-CA 3.31Å; S223-Q226 WeakPolarHBondContact O-CA 3.34Å; S223-Q226 WeakPolarHBondContact O-CB 3.21Å; S223-Q226 PolarHBondContact O-N 3.1Å; S223-Q226 VanDerWaalsContact OG-CG 3.32Å; S223-Q226 WeakPolarHBondContact OG-CG 3.44Å; S223-Q226 PolarHBondContact OG-N 3.39Å; S223-Q226 VanDerWaalsContact OG-N 3.11Å; S223-M227 PolarHBondContact O-N 3.31Å
224	A	48.8	Very low	55.2	Low	81 Å²	81	94.1 Å²	94.1	67%	0.669	52%	0.521	S	S	*	.	H	α-helix	trans	-55	-21	178.2	0	0	0	0	0	112.6	N228	A224-N228 WeakPolarHBondContact O-CB 3.43Å; A224-N228 PolarHBondContact O-N 3.21Å
225	E	50.7	Low	53.5	Low	148 Å²	148	95.6 Å²	95.6	69%	0.692	52%	0.522	S	S	*	.	H	α-helix	trans	-71.6	-44.5	166	-70.4	155.2	172	0	0	112.8	S223 N228 D229	S223-E225 CarbonylContact O-C 3.57Å; S223-E225 PolarHBondContact O-N 3.27Å; E225-N228 CarbonylContact O-C 3.45Å; E225-D229 WeakPolarHBondContact O-CA 3.4Å; E225-D229 WeakPolarHBondContact O-CB 3.38Å; E225-D229 PolarHBondContact O-N 3.25Å
226	Q	50.3	Low	52.1	Low	102 Å²	102	101.3 Å²	101.3	48%	0.477	54%	0.541	S	S	.	.	H	α-helix	trans	-72.2	-24.8	172.4	-72.1	174.2	-25.8	0	0	114.1	L222 S223 D229 A230	L222-Q226 HydrophobicContact CB-CB 3.89Å; L222-Q226 HydrophobicContact CD2-CB 4.37Å; S223-Q226 CarbonylContact O-C 3.21Å; S223-Q226 VanDerWaalsContact O-CA 3.31Å; S223-Q226 WeakPolarHBondContact O-CA 3.34Å; S223-Q226 WeakPolarHBondContact O-CB 3.21Å; S223-Q226 PolarHBondContact O-N 3.1Å; S223-Q226 VanDerWaalsContact OG-CG 3.32Å; S223-Q226 WeakPolarHBondContact OG-CG 3.44Å; S223-Q226 PolarHBondContact OG-N 3.39Å; S223-Q226 VanDerWaalsContact OG-N 3.11Å; Q226-D229 CarbonylContact O-C 3.2Å; Q226-A230 WeakPolarHBondContact O-CB 3.41Å; Q226-A230 PolarHBondContact O-N 3Å
227	M	43.7	Very low	50.9	Low	98 Å²	98	104 Å²	104	48%	0.483	56%	0.559	S	S	.	*	H	α-helix	trans	-86.8	-35.5	177.7	-134.1	-177.9	73.2	0	0	110.1	L222 S223 D229 A230 L231	L222-M227 HydrophobicContact CB-CG 4.47Å; S223-M227 PolarHBondContact O-N 3.31Å; M227-D229 VanDerWaalsContact C-N 3.3Å; M227-A230 PolarHBondContact O-N 2.97Å; M227-L231 HydrophobicContact CE-CD1 4.07Å; M227-L231 HydrophobicContact CG-CD1 4.46Å; M227-L231 WeakPolarHBondContact O-CA 3.39Å; M227-L231 WeakPolarHBondContact O-CB 3.09Å; M227-L231 WeakPolarHBondContact O-CG 3.44Å; M227-L231 PolarHBondContact O-N 3.35Å
228	N	47.9	Very low	49.9	Very low	113 Å²	113	104.8 Å²	104.8	60%	0.604	56%	0.564	S	S	*	*	H	α-helix	trans	-68.5	-30.2	160.2	-87.5	-8.6	0	0	0	110.8	A224 E225 S232	A224-N228 WeakPolarHBondContact O-CB 3.43Å; A224-N228 PolarHBondContact O-N 3.21Å; E225-N228 CarbonylContact O-C 3.45Å; N228-S232 WeakPolarHBondContact O-CA 3.45Å; N228-S232 WeakPolarHBondContact O-CB 3.28Å; N228-S232 PolarHBondContact O-N 3.09Å; N228-S232 PolarHBondContact O-OG 3Å
229	D	53.3	Low	49.7	Very low	90 Å²	90	100.1 Å²	100.1	48%	0.481	55%	0.554	S	S	.	*	H	α-helix	trans	-75.5	-28.4	172.7	-75.4	-20.1	0	0	0	111	E225 Q226 M227 D233	E225-D229 WeakPolarHBondContact O-CA 3.4Å; E225-D229 WeakPolarHBondContact O-CB 3.38Å; E225-D229 PolarHBondContact O-N 3.25Å; Q226-D229 CarbonylContact O-C 3.2Å; M227-D229 VanDerWaalsContact C-N 3.3Å; D229-D233 VanDerWaalsContact O-CA 3.26Å; D229-D233 WeakPolarHBondContact O-CA 3.39Å; D229-D233 WeakPolarHBondContact O-CB 3.44Å; D229-D233 PolarHBondContact O-N 3.12Å
230	A	50	Low	50	Low	49 Å²	49	99.1 Å²	99.1	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-84.2	-37.6	176.5	0	0	0	0	0	112.7	Q226 M227 D233 F234	Q226-A230 WeakPolarHBondContact O-CB 3.41Å; Q226-A230 PolarHBondContact O-N 3Å; M227-A230 PolarHBondContact O-N 2.97Å; A230-D233 PolarHBondContact O-N 3.47Å; A230-F234 PolarHBondContact O-N 3.49Å
231	L	44.5	Very low	51.1	Low	106 Å²	106	96.3 Å²	96.3	56%	0.555	53%	0.526	S	S	*	.	H	α-helix	trans	-77.8	-36.3	172.2	-76	157.8	0	0	0	111	M227 D233 F234 D235	M227-L231 HydrophobicContact CE-CD1 4.07Å; M227-L231 HydrophobicContact CG-CD1 4.46Å; M227-L231 WeakPolarHBondContact O-CA 3.39Å; M227-L231 WeakPolarHBondContact O-CB 3.09Å; M227-L231 WeakPolarHBondContact O-CG 3.44Å; M227-L231 PolarHBondContact O-N 3.35Å; L231-D233 VanDerWaalsContact C-N 3.35Å; L231-F234 PolarHBondContact O-N 2.97Å; L231-D235 PolarHBondContact O-N 3.45Å
232	S	52.2	Low	52.6	Low	35 Å²	35	97.1 Å²	97.1	25%	0.245	52%	0.516	C	S	.	.	H	α-helix	trans	-74.9	-20.8	165.4	84.6	0	0	0	0	112	N228 F234 D235 R236	N228-S232 WeakPolarHBondContact O-CA 3.45Å; N228-S232 WeakPolarHBondContact O-CB 3.28Å; N228-S232 PolarHBondContact O-N 3.09Å; N228-S232 PolarHBondContact O-OG 3Å; S232-F234 VanDerWaalsContact C-N 3.27Å; S232-D235 PolarHBondContact O-N 3.41Å; S232-R236 WeakPolarHBondContact O-CA 3.29Å; S232-R236 WeakPolarHBondContact O-CB 3.42Å; S232-R236 WeakPolarHBondContact O-CG 3.43Å; S232-R236 PolarHBondContact O-N 3.49Å
233	D	49.9	Very low	54.4	Low	93 Å²	93	95 Å²	95	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-73.5	-26.2	167.6	-89.8	-14.5	0	0	0	110.3	D229 A230 L231 T237	D229-D233 VanDerWaalsContact O-CA 3.26Å; D229-D233 WeakPolarHBondContact O-CA 3.39Å; D229-D233 WeakPolarHBondContact O-CB 3.44Å; D229-D233 PolarHBondContact O-N 3.12Å; A230-D233 PolarHBondContact O-N 3.47Å; L231-D233 VanDerWaalsContact C-N 3.35Å; D233-T237 WeakPolarHBondContact O-CA 3.46Å; D233-T237 VanDerWaalsContact O-CB 3.25Å; D233-T237 WeakPolarHBondContact O-CB 3.48Å; D233-T237 WeakPolarHBondContact O-CG2 3.17Å; D233-T237 PolarHBondContact O-N 3.2Å; D233-T237 PolarHBondContact O-OG1 3.42Å
234	F	46.1	Very low	55.9	Low	166 Å²	166	97.1 Å²	97.1	73%	0.728	52%	0.517	S	S	*	.	H	α-helix	trans	-73.3	-44.8	170	-157.1	-96.8	0	0	0	111.5	A230 L231 S232 T237 D238	A230-F234 PolarHBondContact O-N 3.49Å; L231-F234 PolarHBondContact O-N 2.97Å; S232-F234 VanDerWaalsContact C-N 3.27Å; F234-T237 WeakPolarHBondContact CA-OG1 3.47Å; F234-T237 PolarHBondContact O-OG1 3.3Å; F234-T237 VanDerWaalsContact O-OG1 3.11Å; F234-D238 PolarHBondContact O-N 2.98Å; F234-D238 VanDerWaalsContact O-N 3.15Å
235	D	47.8	Very low	57	Low	118 Å²	118	99.3 Å²	99.3	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-74.4	-27.4	176.5	-118.6	2.6	0	0	0	113.1	L231 S232 A239	L231-D235 PolarHBondContact O-N 3.45Å; S232-D235 PolarHBondContact O-N 3.41Å; D235-A239 WeakPolarHBondContact O-CB 3.47Å; D235-A239 PolarHBondContact O-N 3Å
236	R	50.1	Low	58.4	Low	156 Å²	156	96.9 Å²	96.9	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-87.8	-22.8	174	-65.7	172.1	91.9	-171.8	7.5	111.8	S232 D238 A239 H240	S232-R236 WeakPolarHBondContact O-CA 3.29Å; S232-R236 WeakPolarHBondContact O-CB 3.42Å; S232-R236 WeakPolarHBondContact O-CG 3.43Å; S232-R236 PolarHBondContact O-N 3.49Å; R236-D238 VanDerWaalsContact C-N 3.27Å; R236-A239 PolarHBondContact O-N 3.12Å; R236-H240 WeakPolarHBondContact O-CA 3.41Å; R236-H240 WeakPolarHBondContact O-CB 3.33Å; R236-H240 PolarHBondContact O-N 3.17Å
237	T	53.2	Low	59.8	Low	76 Å²	76	97.2 Å²	97.2	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-38.7	162.1	32.3	0	0	0	0	109	D233 F234 H240 V241	D233-T237 WeakPolarHBondContact O-CA 3.46Å; D233-T237 VanDerWaalsContact O-CB 3.25Å; D233-T237 WeakPolarHBondContact O-CB 3.48Å; D233-T237 WeakPolarHBondContact O-CG2 3.17Å; D233-T237 PolarHBondContact O-N 3.2Å; D233-T237 PolarHBondContact O-OG1 3.42Å; F234-T237 WeakPolarHBondContact CA-OG1 3.47Å; F234-T237 PolarHBondContact O-OG1 3.3Å; F234-T237 VanDerWaalsContact O-OG1 3.11Å; T237-H240 PolarHBondContact O-N 3.36Å; T237-V241 WeakPolarHBondContact O-CA 3.34Å; T237-V241 WeakPolarHBondContact O-CB 3.27Å; T237-V241 WeakPolarHBondContact O-CG2 3.49Å; T237-V241 PolarHBondContact O-N 3.12Å
238	D	56.9	Low	61.6	Low	105 Å²	105	93.8 Å²	93.8	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-65.8	-42.3	171.6	-158.9	36.3	0	0	0	111.8	F234 R236 K242	F234-D238 PolarHBondContact O-N 2.98Å; F234-D238 VanDerWaalsContact O-N 3.15Å; R236-D238 VanDerWaalsContact C-N 3.27Å; D238-K242 WeakPolarHBondContact O-CA 3.45Å; D238-K242 WeakPolarHBondContact O-CB 3.38Å; D238-K242 PolarHBondContact O-N 2.8Å
239	A	63.6	Low	63.3	Low	56 Å²	56	91.6 Å²	91.6	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-70.3	-33.5	176.8	0	0	0	0	0	114.1	D235 R236 S243	D235-A239 WeakPolarHBondContact O-CB 3.47Å; D235-A239 PolarHBondContact O-N 3Å; R236-A239 PolarHBondContact O-N 3.12Å; A239-S243 VanDerWaalsContact O-CB 3.23Å; A239-S243 WeakPolarHBondContact O-CB 3.31Å; A239-S243 PolarHBondContact O-N 2.81Å
240	H	66	Low	65	Low	115 Å²	115	93.8 Å²	93.8	53%	0.532	49%	0.494	S	S	.	.	H	α-helix	trans	-76.9	-40.3	176.9	-173.9	62.3	0	0	0	110.4	R236 T237 K242 S243 L244	R236-H240 WeakPolarHBondContact O-CA 3.41Å; R236-H240 WeakPolarHBondContact O-CB 3.33Å; R236-H240 PolarHBondContact O-N 3.17Å; T237-H240 PolarHBondContact O-N 3.36Å; H240-K242 VanDerWaalsContact C-N 3.33Å; H240-S243 PolarHBondContact O-N 2.76Å; H240-L244 VanDerWaalsContact O-CB 3.31Å; H240-L244 WeakPolarHBondContact O-CB 3.46Å; H240-L244 WeakPolarHBondContact O-CG 3.27Å; H240-L244 PolarHBondContact O-N 3.27Å
241	V	70.3	Confident	66.7	Low	65 Å²	65	96.4 Å²	96.4	39%	0.394	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-43.4	169.6	170.9	0	0	0	0	109.5	T237 L244 M245	T237-V241 WeakPolarHBondContact O-CA 3.34Å; T237-V241 WeakPolarHBondContact O-CB 3.27Å; T237-V241 WeakPolarHBondContact O-CG2 3.49Å; T237-V241 PolarHBondContact O-N 3.12Å; V241-L244 CarbonylContact O-C 3.41Å; V241-L244 PolarHBondContact O-N 2.94Å; V241-M245 HydrophobicContact CG1-CE 4.11Å; V241-M245 HydrophobicContact CG1-CG 4.37Å; V241-M245 HydrophobicContact CG1-SD 4.27Å; V241-M245 WeakPolarHBondContact O-CB 3.45Å; V241-M245 VanDerWaalsContact O-CG 3.26Å; V241-M245 WeakPolarHBondContact O-CG 3.33Å; V241-M245 PolarHBondContact O-N 2.82Å
242	K	73.5	Confident	68.6	Low	127 Å²	127	98 Å²	98	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-63.5	-42.5	174.2	-170.1	169.4	-174.3	172.5	0	112	D238 H240 L244 M245 D246	D238-K242 WeakPolarHBondContact O-CA 3.45Å; D238-K242 WeakPolarHBondContact O-CB 3.38Å; D238-K242 PolarHBondContact O-N 2.8Å; H240-K242 VanDerWaalsContact C-N 3.33Å; K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 3.03Å; K242-M245 CarbonylContact O-C 3.6Å; K242-M245 WeakPolarHBondContact O-CB 3.28Å; K242-M245 PolarHBondContact O-N 2.8Å; K242-D246 WeakPolarHBondContact O-CB 3.18Å; K242-D246 PolarHBondContact O-N 3.32Å
243	S	78	Confident	70.3	Confident	53 Å²	53	102.4 Å²	102.4	37%	0.371	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-36.6	173.6	179.7	0	0	0	0	112.4	A239 H240 Q247	A239-S243 VanDerWaalsContact O-CB 3.23Å; A239-S243 WeakPolarHBondContact O-CB 3.31Å; A239-S243 PolarHBondContact O-N 2.81Å; H240-S243 PolarHBondContact O-N 2.76Å; S243-Q247 VanDerWaalsContact O-CB 3.29Å; S243-Q247 WeakPolarHBondContact O-CB 3.41Å; S243-Q247 WeakPolarHBondContact O-CG 3.08Å; S243-Q247 PolarHBondContact O-N 3.07Å
244	L	76.6	Confident	72.2	Confident	88 Å²	88	104.2 Å²	104.2	46%	0.461	52%	0.522	S	S	.	.	H	α-helix	trans	-71.5	-35.9	174.8	-75.1	172.2	0	0	0	110.9	H240 V241 K242 G248	H240-L244 VanDerWaalsContact O-CB 3.31Å; H240-L244 WeakPolarHBondContact O-CB 3.46Å; H240-L244 WeakPolarHBondContact O-CG 3.27Å; H240-L244 PolarHBondContact O-N 3.27Å; V241-L244 CarbonylContact O-C 3.41Å; V241-L244 PolarHBondContact O-N 2.94Å; K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 3.03Å; L244-G248 PolarHBondContact O-N 3.1Å
245	M	72.9	Confident	74.1	Confident	126 Å²	126	101.3 Å²	101.3	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-67.7	-40.5	172.4	-76	-174.2	167.4	0	0	111.5	V241 K242 G248 S249	V241-M245 HydrophobicContact CG1-CE 4.11Å; V241-M245 HydrophobicContact CG1-CG 4.37Å; V241-M245 HydrophobicContact CG1-SD 4.27Å; V241-M245 WeakPolarHBondContact O-CB 3.45Å; V241-M245 VanDerWaalsContact O-CG 3.26Å; V241-M245 WeakPolarHBondContact O-CG 3.33Å; V241-M245 PolarHBondContact O-N 2.82Å; K242-M245 CarbonylContact O-C 3.6Å; K242-M245 WeakPolarHBondContact O-CB 3.28Å; K242-M245 PolarHBondContact O-N 2.8Å; M245-G248 PolarHBondContact O-N 3.27Å; M245-S249 WeakPolarHBondContact O-CB 3.46Å; M245-S249 PolarHBondContact O-N 3.03Å; M245-S249 PolarHBondContact O-OG 3.42Å
246	D	80.5	Confident	76.1	Confident	97 Å²	97	99.6 Å²	99.6	52%	0.519	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-41.8	175.8	-70.2	-19.4	0	0	0	110.5	K242 S249 Y250	K242-D246 WeakPolarHBondContact O-CB 3.18Å; K242-D246 PolarHBondContact O-N 3.32Å; D246-S249 PolarHBondContact O-N 2.86Å; D246-Y250 WeakPolarHBondContact O-CB 3.22Å; D246-Y250 PolarHBondContact O-N 3.47Å
247	Q	79.4	Confident	78	Confident	110 Å²	110	97.3 Å²	97.3	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-41.3	171.9	-83.2	-176.6	-27.9	0	0	112	S243 Y250 L251	S243-Q247 VanDerWaalsContact O-CB 3.29Å; S243-Q247 WeakPolarHBondContact O-CB 3.41Å; S243-Q247 WeakPolarHBondContact O-CG 3.08Å; S243-Q247 PolarHBondContact O-N 3.07Å; Q247-Y250 PolarHBondContact O-N 3.04Å; Q247-L251 WeakPolarHBondContact O-CB 3.44Å; Q247-L251 VanDerWaalsContact O-CG 3.27Å; Q247-L251 WeakPolarHBondContact O-CG 3.38Å; Q247-L251 PolarHBondContact O-N 2.76Å
248	G	81	Confident	79.8	Confident	26 Å²	26	97.9 Å²	97.9	27%	0.268	51%	0.507	S	S	.	.	H	α-helix	trans	-59.4	-48.7	173.9	0	0	0	0	0	111.3	L244 M245 Y250 L251 E252	L244-G248 PolarHBondContact O-N 3.1Å; M245-G248 PolarHBondContact O-N 3.27Å; G248-Y250 PolarHBondContact O-N 2.98Å; G248-L251 PolarHBondContact O-N 3.33Å; G248-E252 WeakPolarHBondContact O-CB 3.41Å; G248-E252 WeakPolarHBondContact O-CG 3.43Å; G248-E252 PolarHBondContact O-N 3.29Å
249	S	82.7	Confident	81.3	Confident	67 Å²	67	98 Å²	98	47%	0.469	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.8	-57.1	0	0	0	0	111.7	M245 D246 E252 E253	M245-S249 WeakPolarHBondContact O-CB 3.46Å; M245-S249 PolarHBondContact O-N 3.03Å; M245-S249 PolarHBondContact O-OG 3.42Å; D246-S249 PolarHBondContact O-N 2.86Å; S249-E252 PolarHBondContact O-N 3.26Å; S249-E253 WeakPolarHBondContact O-CB 3.27Å; S249-E253 PolarHBondContact O-N 3.15Å
250	Y	89.2	Confident	82.5	Confident	136 Å²	136	97.9 Å²	97.9	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-42.5	175.7	176.1	-96.3	0	0	0	112.4	D246 Q247 G248 R254	D246-Y250 WeakPolarHBondContact O-CB 3.22Å; D246-Y250 PolarHBondContact O-N 3.47Å; Q247-Y250 PolarHBondContact O-N 3.04Å; G248-Y250 PolarHBondContact O-N 2.98Å; Y250-R254 VanDerWaalsContact O-CB 3.3Å; Y250-R254 WeakPolarHBondContact O-CB 3.22Å; Y250-R254 PolarHBondContact O-N 3.19Å; Y250-R254 PolarHBondContact OH-NH1 3.31Å
251	L	85.8	Confident	83.6	Confident	103 Å²	103	98 Å²	98	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-68.4	-37.1	177.8	-72.6	173.8	0	0	0	111.7	Q247 G248 N255	Q247-L251 WeakPolarHBondContact O-CB 3.44Å; Q247-L251 VanDerWaalsContact O-CG 3.27Å; Q247-L251 WeakPolarHBondContact O-CG 3.38Å; Q247-L251 PolarHBondContact O-N 2.76Å; G248-L251 PolarHBondContact O-N 3.33Å; L251-N255 VanDerWaalsContact O-CB 3.31Å; L251-N255 WeakPolarHBondContact O-CB 3.43Å; L251-N255 PolarHBondContact O-N 2.75Å
252	E	85.1	Confident	84.5	Confident	141 Å²	141	100.8 Å²	100.8	66%	0.659	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-47.1	173.6	-76.5	178.7	-174.9	0	0	111.6	G248 S249 R254 N255 S256	G248-E252 WeakPolarHBondContact O-CB 3.41Å; G248-E252 WeakPolarHBondContact O-CG 3.43Å; G248-E252 PolarHBondContact O-N 3.29Å; S249-E252 PolarHBondContact O-N 3.26Å; E252-R254 PolarHBondContact O-N 3.22Å; E252-N255 PolarHBondContact O-N 2.95Å; E252-S256 WeakPolarHBondContact O-CB 3.37Å; E252-S256 PolarHBondContact O-N 3.4Å
253	E	88.5	Confident	85.2	Confident	126 Å²	126	99.7 Å²	99.7	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-59	-46.4	175.4	-171	94.9	-144.2	0	0	110.9	S249 S256 Q257	S249-E253 WeakPolarHBondContact O-CB 3.27Å; S249-E253 PolarHBondContact O-N 3.15Å; E253-S256 WeakPolarHBondContact O-CB 3.33Å; E253-S256 PolarHBondContact O-N 3.37Å; E253-Q257 WeakPolarHBondContact O-CG 3.27Å; E253-Q257 PolarHBondContact O-N 3.11Å
254	R	89	Confident	85.8	Confident	131 Å²	131	99.3 Å²	99.3	49%	0.494	51%	0.507	S	S	.	.	H	α-helix	trans	-66.3	-38.6	178.8	-172.4	165.9	179	148.1	-2.2	112.3	Y250 E252 Q257 L258	Y250-R254 VanDerWaalsContact O-CB 3.3Å; Y250-R254 WeakPolarHBondContact O-CB 3.22Å; Y250-R254 PolarHBondContact O-N 3.19Å; Y250-R254 PolarHBondContact OH-NH1 3.31Å; E252-R254 PolarHBondContact O-N 3.22Å; R254-Q257 PolarHBondContact O-N 3.48Å; R254-L258 HydrophobicContact CG-CD1 4.34Å; R254-L258 WeakPolarHBondContact O-CB 3.32Å; R254-L258 WeakPolarHBondContact O-CG 3.32Å; R254-L258 PolarHBondContact O-N 3.35Å
255	N	87.2	Confident	86.3	Confident	105 Å²	105	100 Å²	100	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-64.5	-40.9	172.5	-92.2	-26.3	0	0	0	111.4	L251 E252 Q257 L258 Q259	L251-N255 VanDerWaalsContact O-CB 3.31Å; L251-N255 WeakPolarHBondContact O-CB 3.43Å; L251-N255 PolarHBondContact O-N 2.75Å; E252-N255 PolarHBondContact O-N 2.95Å; N255-Q257 PolarHBondContact O-N 3Å; N255-L258 PolarHBondContact O-N 3.02Å; N255-Q259 WeakPolarHBondContact O-CB 2.94Å; N255-Q259 PolarHBondContact O-N 3.05Å
256	S	89.7	Confident	87.1	Confident	83 Å²	83	98.1 Å²	98.1	58%	0.58	50%	0.503	S	S	*	.	H	α-helix	trans	-61.7	-43.1	176.1	-158.3	0	0	0	0	111.5	E252 E253 Q259 A260	E252-S256 WeakPolarHBondContact O-CB 3.37Å; E252-S256 PolarHBondContact O-N 3.4Å; E253-S256 WeakPolarHBondContact O-CB 3.33Å; E253-S256 PolarHBondContact O-N 3.37Å; S256-Q259 PolarHBondContact O-N 2.87Å; S256-A260 PolarHBondContact O-N 2.94Å
257	Q	90.1	Very high	87.4	Confident	108 Å²	108	101.1 Å²	101.1	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-44.2	174.7	-71.4	175.9	10.5	0	0	112.9	E253 R254 N255 Q259 A260 Q261	E253-Q257 WeakPolarHBondContact O-CG 3.27Å; E253-Q257 PolarHBondContact O-N 3.11Å; R254-Q257 PolarHBondContact O-N 3.48Å; N255-Q257 PolarHBondContact O-N 3Å; Q257-Q259 VanDerWaalsContact C-N 3.31Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q257-A260 PolarHBondContact O-N 2.95Å; Q257-Q261 WeakPolarHBondContact O-CG 3.46Å; Q257-Q261 PolarHBondContact O-N 2.86Å
258	L	89.8	Confident	87.7	Confident	88 Å²	88	104.6 Å²	104.6	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-38	176.5	-76.2	170.3	0	0	0	111.5	R254 N255 Q261 K262	R254-L258 HydrophobicContact CG-CD1 4.34Å; R254-L258 WeakPolarHBondContact O-CB 3.32Å; R254-L258 WeakPolarHBondContact O-CG 3.32Å; R254-L258 PolarHBondContact O-N 3.35Å; N255-L258 PolarHBondContact O-N 3.02Å; L258-Q261 PolarHBondContact O-N 3.46Å; L258-K262 WeakPolarHBondContact O-CB 3.47Å; L258-K262 PolarHBondContact O-N 3.02Å
259	Q	88	Confident	87.7	Confident	107 Å²	107	107.7 Å²	107.7	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-44.8	175.5	-157.2	81.2	-24.3	0	0	111	N255 S256 Q257 Q261 K262 E263	N255-Q259 WeakPolarHBondContact O-CB 2.94Å; N255-Q259 PolarHBondContact O-N 3.05Å; S256-Q259 PolarHBondContact O-N 2.87Å; Q257-Q259 VanDerWaalsContact C-N 3.31Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q259-Q261 PolarHBondContact O-N 2.87Å; Q259-K262 WeakPolarHBondContact O-CB 3.39Å; Q259-K262 PolarHBondContact O-N 3.05Å; Q259-E263 WeakPolarHBondContact O-CG 3.48Å; Q259-E263 PolarHBondContact O-N 3.46Å
260	A	88.5	Confident	87.8	Confident	53 Å²	53	110.4 Å²	110.4	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-39.9	175.5	0	0	0	0	0	112.5	S256 Q257 E263 A264	S256-A260 PolarHBondContact O-N 2.94Å; Q257-A260 PolarHBondContact O-N 2.95Å; A260-E263 PolarHBondContact O-N 3.31Å; A260-A264 WeakPolarHBondContact O-CB 3.47Å; A260-A264 PolarHBondContact O-N 3.26Å
261	Q	90.2	Very high	87.5	Confident	119 Å²	119	106 Å²	106	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-42.1	174.5	-75.3	-177	-0.5	0	0	111.9	Q257 L258 Q259 E263 A264 L265	Q257-Q261 WeakPolarHBondContact O-CG 3.46Å; Q257-Q261 PolarHBondContact O-N 2.86Å; L258-Q261 PolarHBondContact O-N 3.46Å; Q259-Q261 PolarHBondContact O-N 2.87Å; Q261-E263 VanDerWaalsContact C-N 3.34Å; Q261-E263 PolarHBondContact O-N 3.43Å; Q261-A264 PolarHBondContact O-N 3.39Å; Q261-L265 WeakPolarHBondContact O-CB 3.37Å; Q261-L265 WeakPolarHBondContact O-CG 3.35Å; Q261-L265 PolarHBondContact O-N 2.95Å
262	K	88.4	Confident	87.1	Confident	122 Å²	122	106 Å²	106	53%	0.53	52%	0.523	S	S	.	.	H	α-helix	trans	-58.9	-46.3	174.8	-178.8	-174.9	175.4	-174.3	0	110.9	L258 Q259 A264 L265 L266	L258-K262 WeakPolarHBondContact O-CB 3.47Å; L258-K262 PolarHBondContact O-N 3.02Å; Q259-K262 WeakPolarHBondContact O-CB 3.39Å; Q259-K262 PolarHBondContact O-N 3.05Å; K262-A264 PolarHBondContact O-N 2.9Å; K262-L265 PolarHBondContact O-N 3.09Å; K262-L266 HydrophobicContact CG-CD1 4.25Å; K262-L266 WeakPolarHBondContact O-CG 3.45Å; K262-L266 PolarHBondContact O-N 2.95Å
263	E	89.3	Confident	86.8	Confident	104 Å²	104	104.7 Å²	104.7	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-38.2	176.8	-72.9	177	-171.7	0	0	113	Q259 A260 Q261 L266 R267	Q259-E263 WeakPolarHBondContact O-CG 3.48Å; Q259-E263 PolarHBondContact O-N 3.46Å; A260-E263 PolarHBondContact O-N 3.31Å; Q261-E263 VanDerWaalsContact C-N 3.34Å; Q261-E263 PolarHBondContact O-N 3.43Å; E263-L266 PolarHBondContact O-N 3.45Å; E263-R267 PolarHBondContact O-N 2.89Å
264	A	90.1	Very high	86.4	Confident	45 Å²	45	104.4 Å²	104.4	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-38.6	175.7	0	0	0	0	0	112.2	A260 Q261 K262 R268	A260-A264 WeakPolarHBondContact O-CB 3.47Å; A260-A264 PolarHBondContact O-N 3.26Å; Q261-A264 PolarHBondContact O-N 3.39Å; K262-A264 PolarHBondContact O-N 2.9Å; A264-R268 PolarHBondContact O-N 2.97Å
265	L	87.9	Confident	85.9	Confident	103 Å²	103	107.1 Å²	107.1	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-41.5	174.8	-75.7	171.5	0	0	0	111.8	Q261 K262 R268 L269	Q261-L265 WeakPolarHBondContact O-CB 3.37Å; Q261-L265 WeakPolarHBondContact O-CG 3.35Å; Q261-L265 PolarHBondContact O-N 2.95Å; K262-L265 PolarHBondContact O-N 3.09Å; L265-R268 WeakPolarHBondContact O-CB 3.49Å; L265-R268 PolarHBondContact O-N 3.06Å; L265-L269 PolarHBondContact O-N 3.14Å
266	L	88.2	Confident	85.2	Confident	87 Å²	87	107.7 Å²	107.7	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-60.3	-45	174.6	-74.8	170.9	0	0	0	111.3	K262 E263 R268 L269 E270	K262-L266 HydrophobicContact CG-CD1 4.25Å; K262-L266 WeakPolarHBondContact O-CG 3.45Å; K262-L266 PolarHBondContact O-N 2.95Å; E263-L266 PolarHBondContact O-N 3.45Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 3.08Å; L266-L269 WeakPolarHBondContact O-CB 3.21Å; L266-L269 PolarHBondContact O-N 3.28Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L266-E270 WeakPolarHBondContact O-CG 3.39Å; L266-E270 PolarHBondContact O-N 3.17Å
267	R	87.2	Confident	84.4	Confident	159 Å²	159	112.5 Å²	112.5	60%	0.6	53%	0.533	S	S	*	.	H	α-helix	trans	-61.3	-37.4	173.9	-80.5	-175.7	-89.3	157.2	-12.2	113.2	E263 A271	E263-R267 PolarHBondContact O-N 2.89Å; R267-A271 WeakPolarHBondContact O-CB 3.47Å; R267-A271 PolarHBondContact O-N 3.49Å
268	R	86.5	Confident	83.3	Confident	183 Å²	183	112.1 Å²	112.1	69%	0.691	54%	0.535	S	S	*	.	H	α-helix	trans	-67.3	-39.1	174.6	-87.9	-179.6	163.6	176.3	-3.7	112.2	A264 L265 L266 L272	A264-R268 PolarHBondContact O-N 2.97Å; L265-R268 WeakPolarHBondContact O-CB 3.49Å; L265-R268 PolarHBondContact O-N 3.06Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 3.08Å; R268-L272 WeakPolarHBondContact O-CB 3.24Å; R268-L272 WeakPolarHBondContact O-CG 3.44Å; R268-L272 PolarHBondContact O-N 2.77Å
269	L	80.4	Confident	81.9	Confident	92 Å²	92	110.4 Å²	110.4	48%	0.482	54%	0.538	S	S	.	.	H	α-helix	trans	-64.4	-47.8	175.1	-82.8	163.4	0	0	0	110.7	L265 L266 A271 L272 E273	L265-L269 PolarHBondContact O-N 3.14Å; L266-L269 WeakPolarHBondContact O-CB 3.21Å; L266-L269 PolarHBondContact O-N 3.28Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L269-A271 VanDerWaalsContact C-N 3.34Å; L269-A271 PolarHBondContact O-N 2.87Å; L269-L272 CarbonylContact O-C 3.6Å; L269-L272 PolarHBondContact O-N 3.36Å; L269-L272 VanDerWaalsContact O-N 3.14Å; L269-E273 WeakPolarHBondContact O-CB 3.47Å; L269-E273 WeakPolarHBondContact O-CG 3.45Å; L269-E273 PolarHBondContact O-N 3.4Å
270	E	84.6	Confident	80.2	Confident	123 Å²	123	113.4 Å²	113.4	58%	0.575	55%	0.55	S	S	*	.	H	α-helix	trans	-58.6	-44.5	175.5	-73.1	173.2	173.2	0	0	111.7	L266 L272 E273 E274	L266-E270 WeakPolarHBondContact O-CG 3.39Å; L266-E270 PolarHBondContact O-N 3.17Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 2.86Å; E270-E273 PolarHBondContact O-N 2.95Å; E270-E274 WeakPolarHBondContact O-CB 3.36Å; E270-E274 PolarHBondContact O-N 2.86Å
271	A	83.4	Confident	77.9	Confident	45 Å²	45	119 Å²	119	37%	0.372	57%	0.567	S	S	.	*	H	α-helix	trans	-64.7	-35.3	176.7	0	0	0	0	0	112.9	R267 L269 R275	R267-A271 WeakPolarHBondContact O-CB 3.47Å; R267-A271 PolarHBondContact O-N 3.49Å; L269-A271 VanDerWaalsContact C-N 3.34Å; L269-A271 PolarHBondContact O-N 2.87Å; A271-R275 WeakPolarHBondContact O-CB 3.5Å; A271-R275 VanDerWaalsContact O-CG 3.27Å; A271-R275 WeakPolarHBondContact O-CG 3.25Å; A271-R275 PolarHBondContact O-N 3.33Å
272	L	78.2	Confident	75.1	Confident	102 Å²	102	121.4 Å²	121.4	53%	0.534	58%	0.578	S	S	.	*	H	α-helix	trans	-71	-41.3	173.9	-80.2	168.3	0	0	0	111.5	R268 L269 E270 E274 R275 L276	R268-L272 WeakPolarHBondContact O-CB 3.24Å; R268-L272 WeakPolarHBondContact O-CG 3.44Å; R268-L272 PolarHBondContact O-N 2.77Å; L269-L272 CarbonylContact O-C 3.6Å; L269-L272 PolarHBondContact O-N 3.36Å; L269-L272 VanDerWaalsContact O-N 3.14Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 2.86Å; L272-E274 VanDerWaalsContact C-N 3.32Å; L272-E274 PolarHBondContact O-N 2.93Å; L272-R275 PolarHBondContact O-N 3.26Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 PolarHBondContact O-N 3.27Å
273	E	78.6	Confident	72.5	Confident	114 Å²	114	121.2 Å²	121.2	53%	0.533	59%	0.589	S	S	.	*	H	α-helix	trans	-62.7	-39.7	174.9	-75.7	-176.6	178	0	0	111.4	L269 E270 L276 R277	L269-E273 WeakPolarHBondContact O-CB 3.47Å; L269-E273 WeakPolarHBondContact O-CG 3.45Å; L269-E273 PolarHBondContact O-N 3.4Å; E270-E273 PolarHBondContact O-N 2.95Å; E273-L276 PolarHBondContact O-N 3.43Å; E273-R277 VanDerWaalsContact O-CB 3.23Å; E273-R277 WeakPolarHBondContact O-CB 3.42Å; E273-R277 PolarHBondContact O-N 3.35Å
274	E	79	Confident	69.7	Low	120 Å²	120	125 Å²	125	56%	0.561	61%	0.607	S	S	*	*	H	α-helix	trans	-68.1	-42.6	175.4	-166.3	175.3	-162.2	0	0	111.4	E270 L272 L276 R277 N278	E270-E274 WeakPolarHBondContact O-CB 3.36Å; E270-E274 PolarHBondContact O-N 2.86Å; L272-E274 VanDerWaalsContact C-N 3.32Å; L272-E274 PolarHBondContact O-N 2.93Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 3.31Å; E274-R277 PolarHBondContact O-N 2.93Å; E274-N278 WeakPolarHBondContact O-CB 3.43Å; E274-N278 PolarHBondContact O-N 3.05Å
275	R	77.8	Confident	66.9	Low	188 Å²	188	132.8 Å²	132.8	71%	0.709	63%	0.632	S	S	*	*	H	α-helix	trans	-60.3	-39.4	170.9	-79.2	175.1	173.2	-174.5	-2.3	112.5	A271 L272 G279	A271-R275 WeakPolarHBondContact O-CB 3.5Å; A271-R275 VanDerWaalsContact O-CG 3.27Å; A271-R275 WeakPolarHBondContact O-CG 3.25Å; A271-R275 PolarHBondContact O-N 3.33Å; L272-R275 PolarHBondContact O-N 3.26Å; R275-G279 WeakPolarHBondContact O-CA 3.36Å; R275-G279 PolarHBondContact O-N 3.46Å
276	L	73.9	Confident	63.9	Low	117 Å²	117	136.4 Å²	136.4	61%	0.613	65%	0.647	S	S	*	*	H	α-helix	trans	-70.3	-36.2	177.3	-145.9	98.1	0	0	0	111.2	L272 E273 E274 K280	L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 PolarHBondContact O-N 3.27Å; E273-L276 PolarHBondContact O-N 3.43Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 3.31Å; L276-K280 WeakPolarHBondContact O-CG 3.45Å; L276-K280 PolarHBondContact O-N 3.08Å
277	R	72.4	Confident	61.3	Low	183 Å²	183	136.3 Å²	136.3	69%	0.691	66%	0.658	S	S	*	*	H	α-helix	trans	-69	-41.7	177	-162.3	-178.6	-61.1	-134.2	4.1	111.2	E273 E274	E273-R277 VanDerWaalsContact O-CB 3.23Å; E273-R277 WeakPolarHBondContact O-CB 3.42Å; E273-R277 PolarHBondContact O-N 3.35Å; E274-R277 PolarHBondContact O-N 2.93Å
278	N	67.6	Low	59	Low	101 Å²	101	134.8 Å²	134.8	54%	0.54	67%	0.669	S	S	.	*	H	α-helix	trans	-76	-37.3	177.1	-65.3	-9.9	0	0	0	111.8	E274 K280 Q281	E274-N278 WeakPolarHBondContact O-CB 3.43Å; E274-N278 PolarHBondContact O-N 3.05Å; N278-K280 PolarHBondContact O-N 3.41Å; N278-Q281 PolarHBondContact O-N 3.02Å; N278-Q281 VanDerWaalsContact O-N 3.1Å
279	G	59.1	Low	56.3	Low	51 Å²	51	134.7 Å²	134.7	53%	0.526	67%	0.674	S	S	.	*	H	α-helix	trans	-67.8	-18.6	176.5	0	0	0	0	0	113.8	R275 Q281	R275-G279 WeakPolarHBondContact O-CA 3.36Å; R275-G279 PolarHBondContact O-N 3.46Å; G279-Q281 PolarHBondContact O-N 3.4Å
280	K	52.8	Low	54.1	Low	171 Å²	171	135.5 Å²	135.5	74%	0.743	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	1.4	170.6	-82.5	-179.1	178.1	-176.4	0	114.1	L276 N278	L276-K280 WeakPolarHBondContact O-CG 3.45Å; L276-K280 PolarHBondContact O-N 3.08Å; N278-K280 PolarHBondContact O-N 3.41Å
281	Q	40.8	Very low	52	Low	170 Å²	170	135.7 Å²	135.7	79%	0.794	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	8.2	176.5	-86.4	-172.4	-5.9	0	0	116	N278 G279	N278-Q281 PolarHBondContact O-N 3.02Å; N278-Q281 VanDerWaalsContact O-N 3.1Å; G279-Q281 PolarHBondContact O-N 3.4Å
282	E	30.4	Very low	50	Low	169 Å²	169	137.4 Å²	137.4	79%	0.79	71%	0.708	S	S	*	*	S	Bend	trans	-104	115.7	168.6	-74.4	-170.3	158.6	0	0	111.1	E284	E282-E284 PolarHBondContact O-N 3.17Å
283	P	35.4	Very low	48.6	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	72%	0.721	S	S	*	*			trans	-76.2	124.9	179.7	30.4	-30.6	0	0	0	110.5	K285	P283-K285 PolarHBondContact O-N 3.33Å
284	E	29	Very low	47.4	Very low	183 Å²	183	135.2 Å²	135.2	86%	0.855	72%	0.715	S	S	*	*			trans	-6.8	114.3	155.1	-63.5	173.1	164.6	0	0	115.5	E282	E282-E284 PolarHBondContact O-N 3.17Å
285	K	31.6	Very low	46.2	Very low	210 Å²	210	134.9 Å²	134.9	91%	0.913	71%	0.711	S	S	*	*			trans	-122	103.7	154.2	-83.1	-174.6	176.1	177.2	0	108.7	P283	P283-K285 PolarHBondContact O-N 3.33Å
286	E	25	Very low	45.2	Very low	179 Å²	179	129.9 Å²	129.9	84%	0.836	71%	0.705	S	S	*	*			trans	-67.6	142.6	173.5	-62.6	-176.9	138.5	0	0	112.3
287	A	34	Very low	44.8	Very low	85 Å²	85	129.7 Å²	129.7	70%	0.702	71%	0.705	S	S	*	*			trans	65.8	149.5	140.6	0	0	0	0	0	118.7
288	P	37.8	Very low	44.7	Very low	127 Å²	127	126.4 Å²	126.4	83%	0.825	70%	0.697	S	S	*	*			cis	-142.8	159.8	39.8	34.4	-11	0	0	0	119.1
289	F	30.5	Very low	45.2	Very low	181 Å²	181	127.5 Å²	127.5	79%	0.794	70%	0.702	S	S	*	*			trans	-62.4	157.2	177.1	-73.5	-93.2	0	0	0	116.7
290	P	35	Very low	46.1	Very low	109 Å²	109	131.2 Å²	131.2	71%	0.708	71%	0.706	S	S	*	*			trans	-142	141.9	134	32	-13.5	0	0	0	117.2
291	T	39	Very low	47.4	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	70%	0.695	S	S	*	*			trans	73.1	129.3	150.1	51.9	0	0	0	0	122
292	A	43.1	Very low	49.3	Very low	81 Å²	81	120.9 Å²	120.9	67%	0.669	67%	0.673	S	S	*	*	S	Bend	trans	-106	15.6	-156.4	0	0	0	0	0	116.2
293	S	48.1	Very low	51.7	Low	113 Å²	113	118.1 Å²	118.1	79%	0.79	66%	0.661	S	S	*	*	S	Bend	trans	-98.3	-16.8	-178.3	-177.7	0	0	0	0	114.6
294	S	53.9	Low	54	Low	58 Å²	58	116 Å²	116	41%	0.406	65%	0.646	S	S	.	*	S	Bend	trans	-84	-17.6	172.5	71.4	0	0	0	0	112.7	S296 D297 E298	S294-S296 VanDerWaalsContact C-N 3.27Å; S294-S296 PolarHBondContact O-N 2.82Å; S294-D297 PolarHBondContact O-N 3.48Å; S294-E298 WeakPolarHBondContact CB-OE1 3.29Å; S294-E298 WeakPolarHBondContact O-CB 3.42Å; S294-E298 VanDerWaalsContact O-CG 3.24Å; S294-E298 WeakPolarHBondContact O-CG 3.22Å; S294-E298 PolarHBondContact O-N 2.88Å; S294-E298 PolarHBondContact OG-OE1 3.5Å
295	K	54	Low	56.6	Low	113 Å²	113	112.1 Å²	112.1	49%	0.491	63%	0.631	S	S	.	*	H	α-helix	trans	-62	-27.1	-174.8	-72	-172.1	175.8	-175.5	0	114.5	L299	K295-L299 WeakPolarHBondContact O-CB 3.47Å; K295-L299 PolarHBondContact O-N 3.37Å
296	S	56.5	Low	59.1	Low	83 Å²	83	107.6 Å²	107.6	58%	0.58	62%	0.616	S	S	*	*	H	α-helix	trans	-74	-46.1	-177.7	-165.1	0	0	0	0	111.6	S294 L299 E300	S294-S296 VanDerWaalsContact C-N 3.27Å; S294-S296 PolarHBondContact O-N 2.82Å; S296-L299 PolarHBondContact O-N 3.36Å; S296-E300 PolarHBondContact O-N 3.19Å
297	D	64.6	Low	62.1	Low	113 Å²	113	104.1 Å²	104.1	60%	0.604	60%	0.6	S	S	*	*	H	α-helix	trans	-69.3	-38.4	176	-60.5	-17.5	0	0	0	110.4	S294 L299 E300 V301	S294-D297 PolarHBondContact O-N 3.48Å; D297-L299 VanDerWaalsContact C-N 3.28Å; D297-L299 PolarHBondContact O-N 2.69Å; D297-E300 PolarHBondContact O-N 2.89Å; D297-V301 WeakPolarHBondContact O-CB 3.34Å; D297-V301 VanDerWaalsContact O-CG2 3.29Å; D297-V301 WeakPolarHBondContact O-CG2 3.4Å; D297-V301 PolarHBondContact O-N 3.47Å
298	E	70.8	Confident	64.8	Low	114 Å²	114	105.3 Å²	105.3	53%	0.533	59%	0.591	S	S	.	*	H	α-helix	trans	-60.5	-36.9	171.6	-72.7	167.6	-162.6	0	0	112.1	S294 A302	S294-E298 WeakPolarHBondContact CB-OE1 3.29Å; S294-E298 WeakPolarHBondContact O-CB 3.42Å; S294-E298 VanDerWaalsContact O-CG 3.24Å; S294-E298 WeakPolarHBondContact O-CG 3.22Å; S294-E298 PolarHBondContact O-N 2.88Å; S294-E298 PolarHBondContact OG-OE1 3.5Å; E298-A302 WeakPolarHBondContact O-CB 3.49Å; E298-A302 PolarHBondContact O-N 3.48Å
299	L	77.1	Confident	67.3	Low	123 Å²	123	102.3 Å²	102.3	64%	0.644	57%	0.568	S	S	*	*	H	α-helix	trans	-72.1	-40	178.6	-171.4	72.7	0	0	0	112	K295 S296 D297 A302 M303	K295-L299 WeakPolarHBondContact O-CB 3.47Å; K295-L299 PolarHBondContact O-N 3.37Å; S296-L299 PolarHBondContact O-N 3.36Å; D297-L299 VanDerWaalsContact C-N 3.28Å; D297-L299 PolarHBondContact O-N 2.69Å; L299-A302 PolarHBondContact O-N 3.24Å; L299-M303 WeakPolarHBondContact O-CB 3.45Å; L299-M303 PolarHBondContact O-N 2.83Å
300	E	78.5	Confident	70.2	Confident	129 Å²	129	98 Å²	98	60%	0.603	56%	0.556	S	S	*	*	H	α-helix	trans	-68.4	-42.5	177.3	-170.3	170.9	-172.7	0	0	111.6	S296 D297 A302 M303 T304	S296-E300 PolarHBondContact O-N 3.19Å; D297-E300 PolarHBondContact O-N 2.89Å; E300-A302 VanDerWaalsContact C-N 3.32Å; E300-A302 PolarHBondContact O-N 2.99Å; E300-M303 PolarHBondContact O-N 3.44Å; E300-T304 PolarHBondContact O-N 2.87Å; E300-T304 VanDerWaalsContact O-N 3.08Å; E300-T304 PolarHBondContact O-OG1 3.48Å
301	V	79.6	Confident	72.8	Confident	85 Å²	85	98.7 Å²	98.7	52%	0.515	55%	0.55	S	S	.	.	H	α-helix	trans	-62.3	-40.3	171.6	173.3	0	0	0	0	110.9	D297 M303 T304 L305	D297-V301 WeakPolarHBondContact O-CB 3.34Å; D297-V301 VanDerWaalsContact O-CG2 3.29Å; D297-V301 WeakPolarHBondContact O-CG2 3.4Å; D297-V301 PolarHBondContact O-N 3.47Å; V301-M303 PolarHBondContact O-N 3.32Å; V301-T304 PolarHBondContact O-OG1 3.46Å; V301-L305 HydrophobicContact CG1-CD1 3.92Å; V301-L305 WeakPolarHBondContact O-CB 3.4Å; V301-L305 PolarHBondContact O-N 3.45Å
302	A	80.9	Confident	75.2	Confident	40 Å²	40	97.6 Å²	97.6	33%	0.331	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-38.4	175.3	0	0	0	0	0	112.5	E298 L299 E300 L306	E298-A302 WeakPolarHBondContact O-CB 3.49Å; E298-A302 PolarHBondContact O-N 3.48Å; L299-A302 PolarHBondContact O-N 3.24Å; E300-A302 VanDerWaalsContact C-N 3.32Å; E300-A302 PolarHBondContact O-N 2.99Å; A302-L306 WeakPolarHBondContact O-CB 3.35Å; A302-L306 WeakPolarHBondContact O-CG 3.49Å; A302-L306 PolarHBondContact O-N 3.35Å
303	M	81.4	Confident	77.6	Confident	110 Å²	110	99.1 Å²	99.1	54%	0.542	53%	0.527	S	S	.	.	H	α-helix	trans	-67.3	-44.5	179.7	-164.4	169	77	0	0	111.8	L299 E300 V301 L306 E307	L299-M303 WeakPolarHBondContact O-CB 3.45Å; L299-M303 PolarHBondContact O-N 2.83Å; E300-M303 PolarHBondContact O-N 3.44Å; V301-M303 PolarHBondContact O-N 3.32Å; M303-L306 PolarHBondContact O-N 3.43Å; M303-E307 WeakPolarHBondContact O-CG 3.39Å; M303-E307 PolarHBondContact O-N 3.44Å
304	T	83	Confident	79.7	Confident	74 Å²	74	98.7 Å²	98.7	45%	0.454	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-39.3	176.4	53.4	0	0	0	0	112.4	E300 V301 E307 Q308	E300-T304 PolarHBondContact O-N 2.87Å; E300-T304 VanDerWaalsContact O-N 3.08Å; E300-T304 PolarHBondContact O-OG1 3.48Å; V301-T304 PolarHBondContact O-OG1 3.46Å; T304-E307 PolarHBondContact O-N 2.77Å; T304-Q308 WeakPolarHBondContact O-CB 3.39Å; T304-Q308 PolarHBondContact O-N 3.09Å
305	L	83.5	Confident	81.4	Confident	102 Å²	102	101 Å²	101	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-40.8	172	-91.4	158	0	0	0	112.4	V301 Q308 D309	V301-L305 HydrophobicContact CG1-CD1 3.92Å; V301-L305 WeakPolarHBondContact O-CB 3.4Å; V301-L305 PolarHBondContact O-N 3.45Å; L305-Q308 PolarHBondContact O-N 3.26Å; L305-D309 PolarHBondContact O-N 3.46Å
306	L	85.3	Confident	83.2	Confident	114 Å²	114	97.9 Å²	97.9	60%	0.597	52%	0.516	S	S	*	.	H	α-helix	trans	-66.5	-43.1	176.7	-77.2	168.4	0	0	0	111.7	A302 M303 Q308 D309 V310	A302-L306 WeakPolarHBondContact O-CB 3.35Å; A302-L306 WeakPolarHBondContact O-CG 3.49Å; A302-L306 PolarHBondContact O-N 3.35Å; M303-L306 PolarHBondContact O-N 3.43Å; L306-Q308 VanDerWaalsContact C-N 3.32Å; L306-Q308 PolarHBondContact O-N 2.97Å; L306-D309 PolarHBondContact O-N 2.96Å; L306-V310 WeakPolarHBondContact O-CB 3.27Å; L306-V310 VanDerWaalsContact O-CG2 3.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.47Å; L306-V310 PolarHBondContact O-N 3.47Å
307	E	88.5	Confident	85	Confident	106 Å²	106	97.4 Å²	97.4	50%	0.495	51%	0.506	S	S	.	.	H	α-helix	trans	-59.4	-44.4	174.4	-75.2	176.7	176.9	0	0	111.3	M303 T304 V310 H311	M303-E307 WeakPolarHBondContact O-CG 3.39Å; M303-E307 PolarHBondContact O-N 3.44Å; T304-E307 PolarHBondContact O-N 2.77Å; E307-V310 PolarHBondContact O-N 3.48Å; E307-H311 PolarHBondContact O-CD2 3.48Å; E307-H311 PolarHBondContact O-N 3.32Å
308	Q	89.5	Confident	86.3	Confident	110 Å²	110	95 Å²	95	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-44.1	176.9	-170.1	179.4	7.8	0	0	112.3	T304 L305 L306 H311 Q312	T304-Q308 WeakPolarHBondContact O-CB 3.39Å; T304-Q308 PolarHBondContact O-N 3.09Å; L305-Q308 PolarHBondContact O-N 3.26Å; L306-Q308 VanDerWaalsContact C-N 3.32Å; L306-Q308 PolarHBondContact O-N 2.97Å; Q308-H311 PolarHBondContact O-N 2.85Å; Q308-Q312 WeakPolarHBondContact O-CG 3.23Å; Q308-Q312 PolarHBondContact O-N 3.26Å
309	D	90.9	Very high	87.3	Confident	64 Å²	64	92.1 Å²	92.1	34%	0.342	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-41	176.2	-172.7	61.8	0	0	0	111	L305 L306 H311 Q312 K313	L305-D309 PolarHBondContact O-N 3.46Å; L306-D309 PolarHBondContact O-N 2.96Å; D309-H311 VanDerWaalsContact C-N 3.34Å; D309-H311 PolarHBondContact O-N 3.36Å; D309-Q312 PolarHBondContact O-N 3.1Å; D309-K313 WeakPolarHBondContact O-CB 3.48Å; D309-K313 VanDerWaalsContact O-CG 3.27Å; D309-K313 WeakPolarHBondContact O-CG 3.36Å; D309-K313 PolarHBondContact O-N 3.24Å; D309-K313 WeakPolarHBondContact OD1-CE 3.19Å; D309-K313 IonicContact OD1-NZ 3Å; D309-K313 PolarHBondContact OD1-NZ 2.93Å; D309-K313 WeakPolarHBondContact OD2-CE 3.48Å; D309-K313 IonicContact OD2-NZ 2.71Å
310	V	91.3	Very high	88.1	Confident	92 Å²	92	91.5 Å²	91.5	56%	0.558	49%	0.487	S	S	*	.	H	α-helix	trans	-57.9	-45.8	175.1	167.9	0	0	0	0	111.1	L306 E307 K313 Q314	L306-V310 WeakPolarHBondContact O-CB 3.27Å; L306-V310 VanDerWaalsContact O-CG2 3.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.47Å; L306-V310 PolarHBondContact O-N 3.47Å; E307-V310 PolarHBondContact O-N 3.48Å; V310-K313 PolarHBondContact O-N 3.35Å; V310-Q314 VanDerWaalsContact O-CB 3.32Å; V310-Q314 WeakPolarHBondContact O-CB 3.23Å; V310-Q314 PolarHBondContact O-N 2.84Å
311	H	89.6	Confident	88.8	Confident	123 Å²	123	93.7 Å²	93.7	57%	0.569	49%	0.489	S	S	*	.	H	α-helix	trans	-62.4	-46.3	175.6	-76.7	-59.3	0	0	0	112.2	E307 Q308 D309 K313 Q314 D315	E307-H311 PolarHBondContact O-CD2 3.48Å; E307-H311 PolarHBondContact O-N 3.32Å; Q308-H311 PolarHBondContact O-N 2.85Å; D309-H311 VanDerWaalsContact C-N 3.34Å; D309-H311 PolarHBondContact O-N 3.36Å; H311-K313 PolarHBondContact O-N 3Å; H311-Q314 WeakPolarHBondContact O-CB 3.31Å; H311-Q314 PolarHBondContact O-N 3.44Å; H311-Q314 VanDerWaalsContact O-N 3.15Å; H311-D315 PolarHBondContact O-N 3.07Å
312	Q	90.5	Very high	89.5	Confident	103 Å²	103	95.8 Å²	95.8	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-41.2	177.5	-72.3	176.9	5.2	0	0	112.6	Q308 D309 Q314 D315 A316	Q308-Q312 WeakPolarHBondContact O-CG 3.23Å; Q308-Q312 PolarHBondContact O-N 3.26Å; D309-Q312 PolarHBondContact O-N 3.1Å; Q312-Q314 VanDerWaalsContact C-N 3.34Å; Q312-D315 PolarHBondContact O-N 3.03Å; Q312-A316 WeakPolarHBondContact O-CB 3.39Å; Q312-A316 PolarHBondContact O-N 3.13Å
313	K	91.8	Very high	90.2	Very high	112 Å²	112	98.8 Å²	98.8	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-40.5	174.2	-66.7	-47.8	-176.6	-115.7	0	110.9	D309 V310 H311 A316 I317	D309-K313 WeakPolarHBondContact O-CB 3.48Å; D309-K313 VanDerWaalsContact O-CG 3.27Å; D309-K313 WeakPolarHBondContact O-CG 3.36Å; D309-K313 PolarHBondContact O-N 3.24Å; D309-K313 WeakPolarHBondContact OD1-CE 3.19Å; D309-K313 IonicContact OD1-NZ 3Å; D309-K313 PolarHBondContact OD1-NZ 2.93Å; D309-K313 WeakPolarHBondContact OD2-CE 3.48Å; D309-K313 IonicContact OD2-NZ 2.71Å; V310-K313 PolarHBondContact O-N 3.35Å; H311-K313 PolarHBondContact O-N 3Å; K313-A316 PolarHBondContact O-N 2.98Å; K313-I317 WeakPolarHBondContact O-CB 3.33Å; K313-I317 WeakPolarHBondContact O-CD1 3.48Å; K313-I317 WeakPolarHBondContact O-CG1 3.42Å; K313-I317 PolarHBondContact O-N 3.28Å
314	Q	92.2	Very high	90.7	Very high	105 Å²	105	98 Å²	98	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-43.4	178.4	-170.5	64.7	12	0	0	111.3	V310 H311 Q312 I317 C318	V310-Q314 VanDerWaalsContact O-CB 3.32Å; V310-Q314 WeakPolarHBondContact O-CB 3.23Å; V310-Q314 PolarHBondContact O-N 2.84Å; H311-Q314 WeakPolarHBondContact O-CB 3.31Å; H311-Q314 PolarHBondContact O-N 3.44Å; H311-Q314 VanDerWaalsContact O-N 3.15Å; Q312-Q314 VanDerWaalsContact C-N 3.34Å; Q314-I317 PolarHBondContact O-N 3.46Å; Q314-C318 WeakPolarHBondContact O-CB 3.32Å; Q314-C318 PolarHBondContact O-N 3.13Å; Q314-C318 PolarHBondContact O-SG 2.78Å
315	D	90.8	Very high	91.2	Very high	107 Å²	107	98.5 Å²	98.5	57%	0.572	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-42.9	175.3	-68.6	-20.8	0	0	0	111.7	H311 Q312 I317 C318 S319	H311-D315 PolarHBondContact O-N 3.07Å; Q312-D315 PolarHBondContact O-N 3.03Å; D315-I317 PolarHBondContact O-N 2.88Å; D315-C318 PolarHBondContact O-N 3.25Å; D315-S319 WeakPolarHBondContact O-CB 3.44Å; D315-S319 PolarHBondContact O-N 3.39Å
316	A	91.4	Very high	91.7	Very high	47 Å²	47	96.5 Å²	96.5	39%	0.388	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.5	0	0	0	0	0	112	Q312 K313 S319 L320	Q312-A316 WeakPolarHBondContact O-CB 3.39Å; Q312-A316 PolarHBondContact O-N 3.13Å; K313-A316 PolarHBondContact O-N 2.98Å; A316-S319 PolarHBondContact O-N 2.98Å; A316-L320 WeakPolarHBondContact O-CB 3.47Å; A316-L320 VanDerWaalsContact O-CG 3.26Å; A316-L320 WeakPolarHBondContact O-CG 3.42Å; A316-L320 PolarHBondContact O-N 3.21Å
317	I	93.3	Very high	92.1	Very high	72 Å²	72	95.4 Å²	95.4	37%	0.369	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-43.4	175.4	-71.6	164.7	0	0	0	110.5	K313 Q314 D315 L320 R321	K313-I317 WeakPolarHBondContact O-CB 3.33Å; K313-I317 WeakPolarHBondContact O-CD1 3.48Å; K313-I317 WeakPolarHBondContact O-CG1 3.42Å; K313-I317 PolarHBondContact O-N 3.28Å; Q314-I317 PolarHBondContact O-N 3.46Å; D315-I317 PolarHBondContact O-N 2.88Å; I317-L320 PolarHBondContact O-N 3.4Å; I317-R321 HydrophobicContact CG2-CG 4.48Å; I317-R321 WeakPolarHBondContact O-CB 3.31Å; I317-R321 VanDerWaalsContact O-CG 3.27Å; I317-R321 WeakPolarHBondContact O-CG 3.28Å; I317-R321 PolarHBondContact O-N 3.28Å
318	C	92.3	Very high	92.4	Very high	63 Å²	63	95.1 Å²	95.1	43%	0.426	48%	0.479	S	S	.	.	H	α-helix	trans	-60.2	-47.1	175.9	-73.6	0	0	0	0	111.3	Q314 D315 L320 R321 E322	Q314-C318 WeakPolarHBondContact O-CB 3.32Å; Q314-C318 PolarHBondContact O-N 3.13Å; Q314-C318 PolarHBondContact O-SG 2.78Å; D315-C318 PolarHBondContact O-N 3.25Å; C318-L320 PolarHBondContact O-N 3.39Å; C318-R321 WeakPolarHBondContact O-CB 3.42Å; C318-R321 PolarHBondContact O-N 3.47Å; C318-E322 PolarHBondContact O-N 3.39Å
319	S	91.8	Very high	92.6	Very high	54 Å²	54	96.9 Å²	96.9	38%	0.378	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-42.9	177.1	-176.6	0	0	0	0	112.5	D315 A316 R321 E322 Q323	D315-S319 WeakPolarHBondContact O-CB 3.44Å; D315-S319 PolarHBondContact O-N 3.39Å; A316-S319 PolarHBondContact O-N 2.98Å; S319-R321 VanDerWaalsContact C-N 3.32Å; S319-R321 PolarHBondContact O-N 3.47Å; S319-E322 PolarHBondContact O-N 2.7Å; S319-Q323 WeakPolarHBondContact O-CG 3.37Å; S319-Q323 PolarHBondContact O-N 3.13Å
320	L	93.9	Very high	92.7	Very high	109 Å²	109	98.6 Å²	98.6	57%	0.571	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-34.4	176.4	-74	172	0	0	0	112.6	A316 I317 C318 L324	A316-L320 WeakPolarHBondContact O-CB 3.47Å; A316-L320 VanDerWaalsContact O-CG 3.26Å; A316-L320 WeakPolarHBondContact O-CG 3.42Å; A316-L320 PolarHBondContact O-N 3.21Å; I317-L320 PolarHBondContact O-N 3.4Å; C318-L320 PolarHBondContact O-N 3.39Å; L320-L324 WeakPolarHBondContact O-CB 3.46Å; L320-L324 PolarHBondContact O-N 3.32Å
321	R	94.3	Very high	92.8	Very high	175 Å²	175	97.8 Å²	97.8	66%	0.66	48%	0.481	S	S	*	.	H	α-helix	trans	-65.4	-44.9	174	-76.6	175	-178.9	-135.1	2.4	111.4	I317 C318 S319 L324 D325	I317-R321 HydrophobicContact CG2-CG 4.48Å; I317-R321 WeakPolarHBondContact O-CB 3.31Å; I317-R321 VanDerWaalsContact O-CG 3.27Å; I317-R321 WeakPolarHBondContact O-CG 3.28Å; I317-R321 PolarHBondContact O-N 3.28Å; C318-R321 WeakPolarHBondContact O-CB 3.42Å; C318-R321 PolarHBondContact O-N 3.47Å; S319-R321 VanDerWaalsContact C-N 3.32Å; S319-R321 PolarHBondContact O-N 3.47Å; R321-L324 PolarHBondContact O-N 3.34Å; R321-D325 PolarHBondContact O-N 2.72Å
322	E	94.5	Very high	93	Very high	129 Å²	129	97.6 Å²	97.6	60%	0.603	48%	0.482	S	S	*	.	H	α-helix	trans	-60.8	-47.5	176	-173.3	174.3	-160.5	0	0	111.4	C318 S319 L324 D325 D326	C318-E322 PolarHBondContact O-N 3.39Å; S319-E322 PolarHBondContact O-N 2.7Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 3.37Å; E322-D325 PolarHBondContact O-N 3.07Å; E322-D325 VanDerWaalsContact O-N 3.12Å; E322-D326 PolarHBondContact O-N 3.36Å
323	Q	93.8	Very high	93.1	Very high	104 Å²	104	96 Å²	96	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-59.3	-39.7	175.5	-72.5	178.9	1.4	0	0	112.7	S319 D325 D326 I327	S319-Q323 WeakPolarHBondContact O-CG 3.37Å; S319-Q323 PolarHBondContact O-N 3.13Å; Q323-D325 VanDerWaalsContact C-N 3.34Å; Q323-D326 PolarHBondContact O-N 3.48Å; Q323-I327 VanDerWaalsContact O-CG1 3.27Å; Q323-I327 WeakPolarHBondContact O-CG1 3.44Å; Q323-I327 PolarHBondContact O-N 3.49Å
324	L	93.1	Very high	93.1	Very high	93 Å²	93	95.1 Å²	95.1	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-39.6	176.7	-179.5	64.5	0	0	0	111.5	L320 R321 E322 I327 K328	L320-L324 WeakPolarHBondContact O-CB 3.46Å; L320-L324 PolarHBondContact O-N 3.32Å; R321-L324 PolarHBondContact O-N 3.34Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 3.37Å; L324-I327 PolarHBondContact O-N 3.14Å; L324-K328 VanDerWaalsContact O-CG 3.31Å; L324-K328 WeakPolarHBondContact O-CG 3.47Å; L324-K328 PolarHBondContact O-N 3.47Å
325	D	93.8	Very high	93.2	Very high	84 Å²	84	97.8 Å²	97.8	45%	0.449	48%	0.484	S	S	.	.	H	α-helix	trans	-70.5	-34.9	177.4	-71.8	-20.3	0	0	0	112	R321 E322 Q323 K328 R329	R321-D325 PolarHBondContact O-N 2.72Å; E322-D325 PolarHBondContact O-N 3.07Å; E322-D325 VanDerWaalsContact O-N 3.12Å; Q323-D325 VanDerWaalsContact C-N 3.34Å; D325-K328 PolarHBondContact O-N 2.94Å; D325-K328 IonicContact OD1-NZ 2.77Å; D325-K328 PolarHBondContact OD1-NZ 2.97Å; D325-R329 WeakPolarHBondContact O-CB 3.5Å; D325-R329 PolarHBondContact O-N 2.77Å
326	D	94.3	Very high	93.3	Very high	61 Å²	61	99.3 Å²	99.3	33%	0.326	48%	0.482	S	S	.	.	H	α-helix	trans	-64.4	-45.4	171	-75.2	-18.1	0	0	0	112.5	E322 Q323 K328 R329 I330	E322-D326 PolarHBondContact O-N 3.36Å; Q323-D326 PolarHBondContact O-N 3.48Å; D326-K328 VanDerWaalsContact C-N 3.31Å; D326-K328 PolarHBondContact O-N 3.4Å; D326-R329 WeakPolarHBondContact O-CB 3.36Å; D326-R329 PolarHBondContact O-N 3.42Å; D326-R329 VanDerWaalsContact O-N 3.15Å; D326-R329 IonicContact OD1-CZ 3.94Å; D326-R329 IonicContact OD1-NE 3.03Å; D326-R329 IonicContact OD1-NH2 3.78Å; D326-R329 PolarHBondContact OD1-NH2 2.92Å; D326-I330 WeakPolarHBondContact O-CG1 3.39Å; D326-I330 PolarHBondContact O-N 2.78Å
327	I	93.5	Very high	93.4	Very high	91 Å²	91	102.7 Å²	102.7	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-61	-40.7	175.7	-70.5	166.9	0	0	0	110.9	Q323 L324 R329 I330 N331	Q323-I327 VanDerWaalsContact O-CG1 3.27Å; Q323-I327 WeakPolarHBondContact O-CG1 3.44Å; Q323-I327 PolarHBondContact O-N 3.49Å; L324-I327 PolarHBondContact O-N 3.14Å; I327-R329 VanDerWaalsContact C-N 3.34Å; I327-R329 PolarHBondContact O-N 2.88Å; I327-I330 PolarHBondContact O-N 3.25Å; I327-N331 WeakPolarHBondContact O-CB 3.35Å; I327-N331 VanDerWaalsContact O-CG 3.3Å; I327-N331 PolarHBondContact O-N 3.39Å; I327-N331 PolarHBondContact O-ND2 2.74Å
328	K	94.6	Very high	93.3	Very high	100 Å²	100	103.8 Å²	103.8	44%	0.435	50%	0.496	S	S	.	.	H	α-helix	trans	-61.1	-44	174.5	-74	171.7	-165.6	153.5	0	111.5	L324 D325 D326 N331 M332	L324-K328 VanDerWaalsContact O-CG 3.31Å; L324-K328 WeakPolarHBondContact O-CG 3.47Å; L324-K328 PolarHBondContact O-N 3.47Å; D325-K328 PolarHBondContact O-N 2.94Å; D325-K328 IonicContact OD1-NZ 2.77Å; D325-K328 PolarHBondContact OD1-NZ 2.97Å; D326-K328 VanDerWaalsContact C-N 3.31Å; D326-K328 PolarHBondContact O-N 3.4Å; K328-N331 PolarHBondContact O-N 3.21Å; K328-M332 WeakPolarHBondContact O-CG 3.39Å; K328-M332 PolarHBondContact O-N 3.34Å
329	R	93.4	Very high	93.4	Very high	147 Å²	147	109.7 Å²	109.7	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-61.1	-49.6	178.7	-158.2	-170	-33.8	-134.9	5.8	111	D325 D326 I327 N331 M332 D333	D325-R329 WeakPolarHBondContact O-CB 3.5Å; D325-R329 PolarHBondContact O-N 2.77Å; D326-R329 WeakPolarHBondContact O-CB 3.36Å; D326-R329 PolarHBondContact O-N 3.42Å; D326-R329 VanDerWaalsContact O-N 3.15Å; D326-R329 IonicContact OD1-CZ 3.94Å; D326-R329 IonicContact OD1-NE 3.03Å; D326-R329 IonicContact OD1-NH2 3.78Å; D326-R329 PolarHBondContact OD1-NH2 2.92Å; I327-R329 VanDerWaalsContact C-N 3.34Å; I327-R329 PolarHBondContact O-N 2.88Å; R329-N331 VanDerWaalsContact C-N 3.35Å; R329-N331 PolarHBondContact O-N 3.02Å; R329-M332 PolarHBondContact O-N 3.14Å; R329-D333 PolarHBondContact O-N 3.04Å
330	I	93.2	Very high	93.4	Very high	99 Å²	99	112.7 Å²	112.7	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-59.3	-45.7	176.5	-67.3	166.8	0	0	0	110.6	D326 I327 M332 D333 L334	D326-I330 WeakPolarHBondContact O-CG1 3.39Å; D326-I330 PolarHBondContact O-N 2.78Å; I327-I330 PolarHBondContact O-N 3.25Å; I330-M332 PolarHBondContact O-N 3.37Å; I330-D333 PolarHBondContact O-N 3.4Å; I330-L334 HydrophobicContact CG2-CD1 3.87Å; I330-L334 HydrophobicContact CG2-CG 4.29Å; I330-L334 WeakPolarHBondContact O-CB 3.33Å; I330-L334 WeakPolarHBondContact O-CG 3.46Å; I330-L334 PolarHBondContact O-N 3.24Å
331	N	92.4	Very high	93.3	Very high	75 Å²	75	113.2 Å²	113.2	40%	0.401	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-44	177.7	-79.3	-25.2	0	0	0	112	I327 K328 R329 D333 L334 Y335	I327-N331 WeakPolarHBondContact O-CB 3.35Å; I327-N331 VanDerWaalsContact O-CG 3.3Å; I327-N331 PolarHBondContact O-N 3.39Å; I327-N331 PolarHBondContact O-ND2 2.74Å; K328-N331 PolarHBondContact O-N 3.21Å; R329-N331 VanDerWaalsContact C-N 3.35Å; R329-N331 PolarHBondContact O-N 3.02Å; N331-D333 VanDerWaalsContact C-N 3.31Å; N331-D333 PolarHBondContact O-N 3.41Å; N331-L334 PolarHBondContact O-N 2.96Å; N331-Y335 HydrophobicContact CB-CE2 4.48Å; N331-Y335 WeakPolarHBondContact O-CD2 3.19Å; N331-Y335 PolarHBondContact O-N 2.9Å
332	M	93.8	Very high	93.3	Very high	120 Å²	120	108.9 Å²	108.9	59%	0.591	51%	0.51	S	S	*	.	H	α-helix	trans	-60.7	-41.4	176	-74.1	174.7	65.7	0	0	111.9	K328 R329 I330 Y335 R336	K328-M332 WeakPolarHBondContact O-CG 3.39Å; K328-M332 PolarHBondContact O-N 3.34Å; R329-M332 PolarHBondContact O-N 3.14Å; I330-M332 PolarHBondContact O-N 3.37Å; M332-Y335 PolarHBondContact O-N 2.9Å; M332-R336 PolarHBondContact O-N 3.33Å
333	D	92.3	Very high	93.2	Very high	70 Å²	70	104.4 Å²	104.4	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-40.7	177.7	-70.5	-20.8	0	0	0	111.9	R329 I330 N331 R336 Q337	R329-D333 PolarHBondContact O-N 3.04Å; I330-D333 PolarHBondContact O-N 3.4Å; N331-D333 VanDerWaalsContact C-N 3.31Å; N331-D333 PolarHBondContact O-N 3.41Å; D333-R336 WeakPolarHBondContact O-CB 3.43Å; D333-R336 PolarHBondContact O-N 3.46Å; D333-R336 IonicContact OD1-CZ 2.7Å; D333-R336 IonicContact OD1-NH1 3.13Å; D333-R336 PolarHBondContact OD1-NH1 3.33Å; D333-Q337 WeakPolarHBondContact O-CG 3.27Å; D333-Q337 PolarHBondContact O-N 2.93Å
334	L	93.2	Very high	93.2	Very high	93 Å²	93	102.6 Å²	102.6	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-60.4	-45.4	172.6	-74.9	170.8	0	0	0	111.8	I330 N331 R336 Q337 L338	I330-L334 HydrophobicContact CG2-CD1 3.87Å; I330-L334 HydrophobicContact CG2-CG 4.29Å; I330-L334 WeakPolarHBondContact O-CB 3.33Å; I330-L334 WeakPolarHBondContact O-CG 3.46Å; I330-L334 PolarHBondContact O-N 3.24Å; N331-L334 PolarHBondContact O-N 2.96Å; L334-R336 VanDerWaalsContact C-N 3.3Å; L334-R336 PolarHBondContact O-N 3.34Å; L334-Q337 PolarHBondContact O-N 2.79Å; L334-L338 WeakPolarHBondContact O-CB 3.44Å; L334-L338 PolarHBondContact O-N 3.11Å
335	Y	93.1	Very high	93	Very high	161 Å²	161	101.1 Å²	101.1	63%	0.631	49%	0.492	S	S	*	.	H	α-helix	trans	-62.7	-36.6	175.2	-78.4	-64.1	0	0	0	112.3	N331 M332 R339	N331-Y335 HydrophobicContact CB-CE2 4.48Å; N331-Y335 WeakPolarHBondContact O-CD2 3.19Å; N331-Y335 PolarHBondContact O-N 2.9Å; M332-Y335 PolarHBondContact O-N 2.9Å; Y335-R339 WeakPolarHBondContact O-CG 3.27Å; Y335-R339 PolarHBondContact O-N 3.03Å
336	R	93.1	Very high	93	Very high	139 Å²	139	104.9 Å²	104.9	53%	0.525	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-46	175.5	-168.7	-176.2	-70.2	110.2	-4.5	110.8	M332 D333 L334 R339 L340	M332-R336 PolarHBondContact O-N 3.33Å; D333-R336 WeakPolarHBondContact O-CB 3.43Å; D333-R336 PolarHBondContact O-N 3.46Å; D333-R336 IonicContact OD1-CZ 2.7Å; D333-R336 IonicContact OD1-NH1 3.13Å; D333-R336 PolarHBondContact OD1-NH1 3.33Å; L334-R336 VanDerWaalsContact C-N 3.3Å; L334-R336 PolarHBondContact O-N 3.34Å; R336-R339 PolarHBondContact O-N 3.05Å; R336-L340 WeakPolarHBondContact O-CG 3.49Å; R336-L340 PolarHBondContact O-N 3.33Å; R336-L340 VanDerWaalsContact O-N 3.14Å
337	Q	93	Very high	92.9	Very high	118 Å²	118	108.1 Å²	108.1	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-63.4	-42.9	177.5	-73.2	-179.8	-5	0	0	112.2	D333 L334 R339 L340 L341	D333-Q337 WeakPolarHBondContact O-CG 3.27Å; D333-Q337 PolarHBondContact O-N 2.93Å; L334-Q337 PolarHBondContact O-N 2.79Å; Q337-R339 VanDerWaalsContact C-N 3.34Å; Q337-R339 PolarHBondContact O-N 2.92Å; Q337-L340 PolarHBondContact O-N 3.41Å; Q337-L340 VanDerWaalsContact O-N 3.17Å; Q337-L341 WeakPolarHBondContact O-CG 3.43Å; Q337-L341 PolarHBondContact O-N 2.97Å
338	L	92.7	Very high	92.9	Very high	95 Å²	95	110 Å²	110	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-58.1	-45.4	177	-163.7	90.1	0	0	0	111.2	L334 L340 L341 E342	L334-L338 WeakPolarHBondContact O-CB 3.44Å; L334-L338 PolarHBondContact O-N 3.11Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 3.34Å; L338-L341 PolarHBondContact O-N 2.92Å; L338-E342 WeakPolarHBondContact O-CG 3.14Å; L338-E342 PolarHBondContact O-N 3.27Å
339	R	92.7	Very high	92.8	Very high	186 Å²	186	109.8 Å²	109.8	70%	0.702	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-38.1	176.9	-74.1	-172.4	-169.6	-96.4	3.8	113	Y335 R336 Q337 G343	Y335-R339 WeakPolarHBondContact O-CG 3.27Å; Y335-R339 PolarHBondContact O-N 3.03Å; R336-R339 PolarHBondContact O-N 3.05Å; Q337-R339 VanDerWaalsContact C-N 3.34Å; Q337-R339 PolarHBondContact O-N 2.92Å; R339-G343 PolarHBondContact O-N 3.04Å
340	L	92.9	Very high	92.9	Very high	117 Å²	117	108.3 Å²	108.3	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-65.4	-44.2	175.6	-69.5	172.5	0	0	0	110.9	R336 Q337 L338 G343 V344	R336-L340 WeakPolarHBondContact O-CG 3.49Å; R336-L340 PolarHBondContact O-N 3.33Å; R336-L340 VanDerWaalsContact O-N 3.14Å; Q337-L340 PolarHBondContact O-N 3.41Å; Q337-L340 VanDerWaalsContact O-N 3.17Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 3.34Å; L340-G343 PolarHBondContact O-N 2.91Å; L340-V344 WeakPolarHBondContact O-CG2 3.38Å; L340-V344 PolarHBondContact O-N 3.15Å
341	L	92.2	Very high	92.9	Very high	120 Å²	120	105.9 Å²	105.9	63%	0.628	52%	0.516	S	S	*	.	H	α-helix	trans	-62.7	-41.9	176.5	-73.5	171.5	0	0	0	112.3	Q337 L338 G343 V344 S345	Q337-L341 WeakPolarHBondContact O-CG 3.43Å; Q337-L341 PolarHBondContact O-N 2.97Å; L338-L341 PolarHBondContact O-N 2.92Å; L341-G343 VanDerWaalsContact C-N 3.33Å; L341-G343 PolarHBondContact O-N 3.13Å; L341-V344 PolarHBondContact O-N 3.37Å; L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.36Å
342	E	93.1	Very high	92.9	Very high	84 Å²	84	106.8 Å²	106.8	39%	0.393	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-40.7	173.6	-74.6	177.2	175.8	0	0	112.1	L338 S345 R346	L338-E342 WeakPolarHBondContact O-CG 3.14Å; L338-E342 PolarHBondContact O-N 3.27Å; E342-S345 PolarHBondContact O-N 3Å; E342-R346 WeakPolarHBondContact O-CG 3.38Å; E342-R346 PolarHBondContact O-N 3.42Å
343	G	92.8	Very high	92.9	Very high	36 Å²	36	104.3 Å²	104.3	37%	0.371	52%	0.515	S	S	.	.	H	α-helix	trans	-61.2	-50	175.4	0	0	0	0	0	112.1	R339 L340 L341 S345 R346 E347	R339-G343 PolarHBondContact O-N 3.04Å; L340-G343 PolarHBondContact O-N 2.91Å; L341-G343 VanDerWaalsContact C-N 3.33Å; L341-G343 PolarHBondContact O-N 3.13Å; G343-S345 VanDerWaalsContact C-N 3.33Å; G343-S345 PolarHBondContact O-N 3.44Å; G343-R346 PolarHBondContact O-N 3.03Å; G343-E347 PolarHBondContact O-N 2.95Å
344	V	93	Very high	93	Very high	66 Å²	66	106.6 Å²	106.6	40%	0.4	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.9	173.4	0	0	0	0	111.5	L340 L341 E347 K348	L340-V344 WeakPolarHBondContact O-CG2 3.38Å; L340-V344 PolarHBondContact O-N 3.15Å; L341-V344 PolarHBondContact O-N 3.37Å; V344-E347 PolarHBondContact O-N 2.99Å; V344-K348 HydrophobicContact CG1-CD 4.24Å; V344-K348 WeakPolarHBondContact O-CG 3.33Å; V344-K348 PolarHBondContact O-N 2.66Å
345	S	89.9	Confident	93.1	Very high	62 Å²	62	107 Å²	107	43%	0.434	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-46.3	176.5	-167.9	0	0	0	0	111.4	L341 E342 G343 E347 K348 D349	L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.36Å; E342-S345 PolarHBondContact O-N 3Å; G343-S345 VanDerWaalsContact C-N 3.33Å; G343-S345 PolarHBondContact O-N 3.44Å; S345-E347 PolarHBondContact O-N 2.74Å; S345-K348 PolarHBondContact O-N 3.19Å; S345-D349 VanDerWaalsContact O-CG 3.3Å; S345-D349 PolarHBondContact O-N 2.89Å
346	R	93.9	Very high	93.1	Very high	162 Å²	162	106.6 Å²	106.6	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-39.9	177.7	-73.7	178.4	-177.3	144.7	7	112.8	E342 G343 D349 L350	E342-R346 WeakPolarHBondContact O-CG 3.38Å; E342-R346 PolarHBondContact O-N 3.42Å; G343-R346 PolarHBondContact O-N 3.03Å; R346-D349 PolarHBondContact O-N 3.29Å; R346-L350 WeakPolarHBondContact O-CG 3.39Å; R346-L350 PolarHBondContact O-N 3.4Å
347	E	93.1	Very high	93.2	Very high	130 Å²	130	103.9 Å²	103.9	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-41.5	176.2	-172.5	178.9	-178.4	0	0	111.6	G343 V344 S345 L350 S351	G343-E347 PolarHBondContact O-N 2.95Å; V344-E347 PolarHBondContact O-N 2.99Å; S345-E347 PolarHBondContact O-N 2.74Å; E347-L350 PolarHBondContact O-N 3.34Å; E347-S351 WeakPolarHBondContact O-CB 3.33Å; E347-S351 PolarHBondContact O-N 3.28Å; E347-S351 PolarHBondContact O-OG 2.76Å
348	K	92.7	Very high	93.2	Very high	131 Å²	131	103.8 Å²	103.8	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-40	174.2	-73.2	-179.1	178.5	-178	0	112.2	V344 S345 S351 L352	V344-K348 HydrophobicContact CG1-CD 4.24Å; V344-K348 WeakPolarHBondContact O-CG 3.33Å; V344-K348 PolarHBondContact O-N 2.66Å; S345-K348 PolarHBondContact O-N 3.19Å; K348-S351 PolarHBondContact O-N 3.41Å; K348-L352 WeakPolarHBondContact O-CB 3.38Å; K348-L352 WeakPolarHBondContact O-CG 3.48Å; K348-L352 PolarHBondContact O-N 2.94Å
349	D	93.1	Very high	93.3	Very high	95 Å²	95	106 Å²	106	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-41.6	176.6	-71.8	-33.5	0	0	0	111.9	S345 R346 L352 S353	S345-D349 VanDerWaalsContact O-CG 3.3Å; S345-D349 PolarHBondContact O-N 2.89Å; R346-D349 PolarHBondContact O-N 3.29Å; D349-L352 PolarHBondContact O-N 2.7Å; D349-S353 WeakPolarHBondContact O-CB 3.21Å; D349-S353 PolarHBondContact O-N 3.1Å
350	L	94.3	Very high	93.4	Very high	116 Å²	116	99.6 Å²	99.6	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-46.5	173.3	-75.5	166.6	0	0	0	111.6	R346 E347 L352 S353 Q354	R346-L350 WeakPolarHBondContact O-CG 3.39Å; R346-L350 PolarHBondContact O-N 3.4Å; E347-L350 PolarHBondContact O-N 3.34Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 3Å; L350-S353 WeakPolarHBondContact O-CB 3.43Å; L350-S353 PolarHBondContact O-N 3.48Å; L350-Q354 WeakPolarHBondContact O-CG 3.39Å; L350-Q354 PolarHBondContact O-N 3.18Å
351	S	93.3	Very high	93.5	Very high	48 Å²	48	98.5 Å²	98.5	34%	0.336	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-41.8	177.5	-57.5	0	0	0	0	111.6	E347 K348 S353 Q354 I355	E347-S351 WeakPolarHBondContact O-CB 3.33Å; E347-S351 PolarHBondContact O-N 3.28Å; E347-S351 PolarHBondContact O-OG 2.76Å; K348-S351 PolarHBondContact O-N 3.41Å; S351-S353 VanDerWaalsContact C-N 3.34Å; S351-S353 PolarHBondContact O-N 3.11Å; S351-Q354 PolarHBondContact O-N 2.93Å; S351-I355 VanDerWaalsContact O-CG1 3.28Å; S351-I355 WeakPolarHBondContact O-CG1 3.43Å; S351-I355 PolarHBondContact O-N 3.49Å
352	L	93.5	Very high	93.6	Very high	93 Å²	93	96.5 Å²	96.5	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-38.1	175.3	-77.9	172.6	0	0	0	112.2	K348 D349 L350 K356	K348-L352 WeakPolarHBondContact O-CB 3.38Å; K348-L352 WeakPolarHBondContact O-CG 3.48Å; K348-L352 PolarHBondContact O-N 2.94Å; D349-L352 PolarHBondContact O-N 2.7Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 3Å; L352-K356 WeakPolarHBondContact O-CB 3.29Å; L352-K356 VanDerWaalsContact O-CG 3.25Å; L352-K356 WeakPolarHBondContact O-CG 3.44Å; L352-K356 PolarHBondContact O-N 3.34Å
353	S	94	Very high	93.6	Very high	68 Å²	68	97.7 Å²	97.7	48%	0.476	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-45.5	174.9	-170.5	0	0	0	0	111.2	D349 L350 S351 K356 T357	D349-S353 WeakPolarHBondContact O-CB 3.21Å; D349-S353 PolarHBondContact O-N 3.1Å; L350-S353 WeakPolarHBondContact O-CB 3.43Å; L350-S353 PolarHBondContact O-N 3.48Å; S351-S353 VanDerWaalsContact C-N 3.34Å; S351-S353 PolarHBondContact O-N 3.11Å; S353-K356 PolarHBondContact O-N 2.97Å; S353-T357 WeakPolarHBondContact O-CG2 3.2Å; S353-T357 PolarHBondContact O-N 3Å; S353-T357 PolarHBondContact O-OG1 2.99Å
354	Q	94.3	Very high	93.7	Very high	119 Å²	119	99.7 Å²	99.7	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-60.1	-51	175.9	-71.8	174.3	-11.9	0	0	111.7	L350 S351 K356 T357 E358	L350-Q354 WeakPolarHBondContact O-CG 3.39Å; L350-Q354 PolarHBondContact O-N 3.18Å; S351-Q354 PolarHBondContact O-N 2.93Å; Q354-K356 VanDerWaalsContact C-N 3.27Å; Q354-K356 PolarHBondContact O-N 3.1Å; Q354-T357 PolarHBondContact O-N 2.9Å; Q354-T357 PolarHBondContact O-OG1 3.03Å; Q354-E358 WeakPolarHBondContact O-CG 3.48Å; Q354-E358 PolarHBondContact O-N 3.16Å
355	I	93.6	Very high	93.8	Very high	101 Å²	101	103.1 Å²	103.1	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-58.6	-39.3	178.1	-68.5	166.8	0	0	0	111.3	S351 E358 K359	S351-I355 VanDerWaalsContact O-CG1 3.28Å; S351-I355 WeakPolarHBondContact O-CG1 3.43Å; S351-I355 PolarHBondContact O-N 3.49Å; I355-E358 PolarHBondContact O-N 2.77Å; I355-K359 VanDerWaalsContact O-CB 3.27Å; I355-K359 WeakPolarHBondContact O-CB 3.41Å; I355-K359 PolarHBondContact O-N 3.25Å
356	K	94	Very high	94.1	Very high	152 Å²	152	103.3 Å²	103.3	66%	0.661	52%	0.518	S	S	*	.	H	α-helix	trans	-63	-42.6	175.5	-77.8	174.6	-178	179.3	0	111.9	L352 S353 Q354 A360	L352-K356 WeakPolarHBondContact O-CB 3.29Å; L352-K356 VanDerWaalsContact O-CG 3.25Å; L352-K356 WeakPolarHBondContact O-CG 3.44Å; L352-K356 PolarHBondContact O-N 3.34Å; S353-K356 PolarHBondContact O-N 2.97Å; Q354-K356 VanDerWaalsContact C-N 3.27Å; Q354-K356 PolarHBondContact O-N 3.1Å; K356-A360 PolarHBondContact O-N 3Å
357	T	94.6	Very high	94.1	Very high	82 Å²	82	99.7 Å²	99.7	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-43.5	177.2	58.1	0	0	0	0	112.2	S353 Q354 K359 A360 V361	S353-T357 WeakPolarHBondContact O-CG2 3.2Å; S353-T357 PolarHBondContact O-N 3Å; S353-T357 PolarHBondContact O-OG1 2.99Å; Q354-T357 PolarHBondContact O-N 2.9Å; Q354-T357 PolarHBondContact O-OG1 3.03Å; T357-K359 VanDerWaalsContact C-N 3.35Å; T357-K359 PolarHBondContact O-N 3.27Å; T357-A360 PolarHBondContact O-N 3.34Å; T357-V361 WeakPolarHBondContact O-CG2 3.42Å; T357-V361 PolarHBondContact O-N 3.39Å
358	E	94.6	Very high	94.2	Very high	116 Å²	116	99.5 Å²	99.5	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-41.1	176.2	-71.3	178.3	179.4	0	0	111.9	Q354 I355 A360 V361 N362	Q354-E358 WeakPolarHBondContact O-CG 3.48Å; Q354-E358 PolarHBondContact O-N 3.16Å; I355-E358 PolarHBondContact O-N 2.77Å; E358-A360 PolarHBondContact O-N 3.17Å; E358-V361 PolarHBondContact O-N 2.94Å; E358-N362 WeakPolarHBondContact O-CB 3.45Å; E358-N362 PolarHBondContact O-N 2.92Å; E358-N362 PolarHBondContact O-ND2 3.36Å
359	K	93.5	Very high	94.3	Very high	141 Å²	141	97.8 Å²	97.8	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-59.1	-47	174.2	-177	-175.8	173.3	-174.3	0	111.1	I355 T357 V361 N362 E363	I355-K359 VanDerWaalsContact O-CB 3.27Å; I355-K359 WeakPolarHBondContact O-CB 3.41Å; I355-K359 PolarHBondContact O-N 3.25Å; T357-K359 VanDerWaalsContact C-N 3.35Å; T357-K359 PolarHBondContact O-N 3.27Å; K359-V361 VanDerWaalsContact C-N 3.34Å; K359-V361 PolarHBondContact O-N 3.31Å; K359-N362 PolarHBondContact O-N 3.16Å; K359-E363 WeakPolarHBondContact O-CB 3.37Å; K359-E363 PolarHBondContact O-N 3.37Å
360	A	94.6	Very high	94.4	Very high	53 Å²	53	95.8 Å²	95.8	44%	0.438	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-39.5	179.2	0	0	0	0	0	112.5	K356 T357 E358 E363 T364	K356-A360 PolarHBondContact O-N 3Å; T357-A360 PolarHBondContact O-N 3.34Å; E358-A360 PolarHBondContact O-N 3.17Å; A360-E363 PolarHBondContact O-N 3.33Å; A360-T364 WeakPolarHBondContact O-CG2 3.4Å; A360-T364 PolarHBondContact O-N 2.96Å; A360-T364 PolarHBondContact O-OG1 3.23Å
361	V	95.7	Very high	94.4	Very high	94 Å²	94	95.4 Å²	95.4	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-66.6	-41.7	174.5	174	0	0	0	0	111.5	T357 E358 K359 T364 R365	T357-V361 WeakPolarHBondContact O-CG2 3.42Å; T357-V361 PolarHBondContact O-N 3.39Å; E358-V361 PolarHBondContact O-N 2.94Å; K359-V361 VanDerWaalsContact C-N 3.34Å; K359-V361 PolarHBondContact O-N 3.31Å; V361-T364 WeakPolarHBondContact CA-OG1 3.37Å; V361-T364 PolarHBondContact O-OG1 3.42Å; V361-R365 WeakPolarHBondContact O-CB 3.33Å; V361-R365 PolarHBondContact O-N 2.97Å
362	N	93.1	Very high	94.5	Very high	77 Å²	77	99.7 Å²	99.7	41%	0.412	50%	0.502	S	S	.	.	H	α-helix	trans	-67	-37.5	177.3	-76.5	-36.2	0	0	0	112.3	E358 K359 R365 L366	E358-N362 WeakPolarHBondContact O-CB 3.45Å; E358-N362 PolarHBondContact O-N 2.92Å; E358-N362 PolarHBondContact O-ND2 3.36Å; K359-N362 PolarHBondContact O-N 3.16Å; N362-R365 PolarHBondContact OD1-NH2 3.4Å; N362-L366 WeakPolarHBondContact O-CB 3.26Å; N362-L366 PolarHBondContact O-N 2.83Å
363	E	94.8	Very high	94.4	Very high	109 Å²	109	98.5 Å²	98.5	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-66.9	-43.5	177.6	-172.1	171.7	175	0	0	111.7	K359 A360 L366 N367	K359-E363 WeakPolarHBondContact O-CB 3.37Å; K359-E363 PolarHBondContact O-N 3.37Å; A360-E363 PolarHBondContact O-N 3.33Å; E363-L366 PolarHBondContact O-N 2.94Å; E363-N367 VanDerWaalsContact O-CG 3.27Å; E363-N367 PolarHBondContact O-N 2.89Å; E363-N367 PolarHBondContact O-ND2 2.84Å
364	T	95.2	Very high	94.5	Very high	78 Å²	78	100 Å²	100	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-47	174	46.2	0	0	0	0	112	A360 V361 L366 N367 E368	A360-T364 WeakPolarHBondContact O-CG2 3.4Å; A360-T364 PolarHBondContact O-N 2.96Å; A360-T364 PolarHBondContact O-OG1 3.23Å; V361-T364 WeakPolarHBondContact CA-OG1 3.37Å; V361-T364 PolarHBondContact O-OG1 3.42Å; T364-L366 VanDerWaalsContact C-N 3.34Å; T364-L366 PolarHBondContact O-N 2.92Å; T364-N367 PolarHBondContact O-N 3.17Å; T364-E368 WeakPolarHBondContact O-CG 3.47Å; T364-E368 PolarHBondContact O-N 3.45Å
365	R	95.3	Very high	94.5	Very high	139 Å²	139	96.6 Å²	96.6	53%	0.525	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-41.7	175.6	-173.3	-179.2	71.8	-173	-2.5	112.8	V361 N362 N367 E368 Q369	V361-R365 WeakPolarHBondContact O-CB 3.33Å; V361-R365 PolarHBondContact O-N 2.97Å; N362-R365 PolarHBondContact OD1-NH2 3.4Å; R365-N367 VanDerWaalsContact C-N 3.34Å; R365-E368 PolarHBondContact O-N 3.31Å; R365-Q369 WeakPolarHBondContact O-CG 3.39Å; R365-Q369 PolarHBondContact O-N 2.65Å; R365-Q369 VanDerWaalsContact O-N 3.09Å
366	L	94.4	Very high	94.7	Very high	66 Å²	66	98 Å²	98	35%	0.346	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-39.8	178.8	-173.4	66.2	0	0	0	111	N362 E363 T364 Q369 I370	N362-L366 WeakPolarHBondContact O-CB 3.26Å; N362-L366 PolarHBondContact O-N 2.83Å; E363-L366 PolarHBondContact O-N 2.94Å; T364-L366 VanDerWaalsContact C-N 3.34Å; T364-L366 PolarHBondContact O-N 2.92Å; L366-Q369 PolarHBondContact O-N 3.4Å; L366-I370 HydrophobicContact CG-CD1 4.09Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.02Å; L366-I370 PolarHBondContact O-N 3.24Å
367	N	94.1	Very high	94.6	Very high	85 Å²	85	95.1 Å²	95.1	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.6	-72.5	-23.9	0	0	0	111.9	E363 T364 R365 Q369 I370 E371	E363-N367 VanDerWaalsContact O-CG 3.27Å; E363-N367 PolarHBondContact O-N 2.89Å; E363-N367 PolarHBondContact O-ND2 2.84Å; T364-N367 PolarHBondContact O-N 3.17Å; R365-N367 VanDerWaalsContact C-N 3.34Å; N367-Q369 PolarHBondContact O-N 3.5Å; N367-I370 PolarHBondContact O-N 3.29Å; N367-E371 WeakPolarHBondContact O-CG 3.27Å; N367-E371 PolarHBondContact O-N 3.42Å
368	E	95.4	Very high	94.7	Very high	127 Å²	127	96 Å²	96	59%	0.593	48%	0.483	S	S	*	.	H	α-helix	trans	-59.1	-46.8	174.2	-71.5	171.1	175	0	0	111.7	T364 R365 I370 E371 E372	T364-E368 WeakPolarHBondContact O-CG 3.47Å; T364-E368 PolarHBondContact O-N 3.45Å; R365-E368 PolarHBondContact O-N 3.31Å; E368-I370 VanDerWaalsContact C-N 3.3Å; E368-I370 PolarHBondContact O-N 2.9Å; E368-E371 PolarHBondContact O-N 3.34Å; E368-E372 WeakPolarHBondContact O-CG 3.44Å; E368-E372 PolarHBondContact O-N 2.95Å
369	Q	95.2	Very high	94.7	Very high	95 Å²	95	95 Å²	95	44%	0.444	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-35.9	177	-72	-179.4	-19.6	0	0	113	R365 L366 N367 S373	R365-Q369 WeakPolarHBondContact O-CG 3.39Å; R365-Q369 PolarHBondContact O-N 2.65Å; R365-Q369 VanDerWaalsContact O-N 3.09Å; L366-Q369 PolarHBondContact O-N 3.4Å; N367-Q369 PolarHBondContact O-N 3.5Å; Q369-S373 WeakPolarHBondContact O-CB 3.44Å; Q369-S373 PolarHBondContact O-N 3.45Å; Q369-S373 PolarHBondContact O-OG 2.82Å
370	I	94.4	Very high	94.8	Very high	52 Å²	52	91.8 Å²	91.8	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-44.9	175.6	-73.2	167.3	0	0	0	110.3	L366 N367 E368 S373 K374	L366-I370 HydrophobicContact CG-CD1 4.09Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.02Å; L366-I370 PolarHBondContact O-N 3.24Å; N367-I370 PolarHBondContact O-N 3.29Å; E368-I370 VanDerWaalsContact C-N 3.3Å; E368-I370 PolarHBondContact O-N 2.9Å; I370-S373 PolarHBondContact O-N 3.18Å; I370-K374 HydrophobicContact CG2-CD 4.26Å; I370-K374 WeakPolarHBondContact O-CG 3.24Å; I370-K374 PolarHBondContact O-N 3.4Å
371	E	94.8	Very high	94.9	Very high	108 Å²	108	94.9 Å²	94.9	51%	0.505	47%	0.472	S	S	.	.	H	α-helix	trans	-66.8	-39.8	178.6	-67.7	-53.4	124.8	0	0	112.3	N367 E368 S373 K374 A375	N367-E371 WeakPolarHBondContact O-CG 3.27Å; N367-E371 PolarHBondContact O-N 3.42Å; E368-E371 PolarHBondContact O-N 3.34Å; E371-S373 VanDerWaalsContact C-N 3.32Å; E371-S373 PolarHBondContact O-N 3.48Å; E371-K374 PolarHBondContact O-N 2.73Å; E371-K374 IonicContact OE1-NZ 3.98Å; E371-K374 PolarHBondContact OE1-NZ 3.49Å; E371-A375 WeakPolarHBondContact O-CB 3.48Å; E371-A375 PolarHBondContact O-N 3.25Å
372	E	95.2	Very high	94.9	Very high	139 Å²	139	97.2 Å²	97.2	65%	0.65	48%	0.477	S	S	*	.	H	α-helix	trans	-59.7	-43.2	171.5	-73.9	179.7	174	0	0	111.9	E368 A375 R376	E368-E372 WeakPolarHBondContact O-CG 3.44Å; E368-E372 PolarHBondContact O-N 2.95Å; E372-A375 PolarHBondContact O-N 3.32Å; E372-R376 WeakPolarHBondContact O-CB 3.48Å; E372-R376 PolarHBondContact O-N 2.99Å
373	S	92.3	Very high	95	Very high	67 Å²	67	98.3 Å²	98.3	47%	0.469	48%	0.48	S	S	.	.	H	α-helix	trans	-66.5	-39.8	178.6	-60.4	0	0	0	0	112	Q369 I370 E371 R376 I377	Q369-S373 WeakPolarHBondContact O-CB 3.44Å; Q369-S373 PolarHBondContact O-N 3.45Å; Q369-S373 PolarHBondContact O-OG 2.82Å; I370-S373 PolarHBondContact O-N 3.18Å; E371-S373 VanDerWaalsContact C-N 3.32Å; E371-S373 PolarHBondContact O-N 3.48Å; S373-R376 PolarHBondContact O-N 3.47Å; S373-I377 WeakPolarHBondContact O-CG1 3.46Å; S373-I377 PolarHBondContact O-N 3.45Å
374	K	95.1	Very high	95.1	Very high	100 Å²	100	97.4 Å²	97.4	44%	0.435	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-49.3	174.2	-74.6	173.7	-176	169.4	0	111.4	I370 E371 R376 I377 D378	I370-K374 HydrophobicContact CG2-CD 4.26Å; I370-K374 WeakPolarHBondContact O-CG 3.24Å; I370-K374 PolarHBondContact O-N 3.4Å; E371-K374 PolarHBondContact O-N 2.73Å; E371-K374 IonicContact OE1-NZ 3.98Å; E371-K374 PolarHBondContact OE1-NZ 3.49Å; K374-R376 PolarHBondContact O-N 3.31Å; K374-I377 WeakPolarHBondContact O-CB 3.43Å; K374-I377 PolarHBondContact O-N 2.93Å; K374-D378 PolarHBondContact O-N 3.01Å
375	A	95.6	Very high	95.1	Very high	47 Å²	47	100 Å²	100	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-58.8	-35.9	177.3	0	0	0	0	0	112	E371 E372 Q379	E371-A375 WeakPolarHBondContact O-CB 3.48Å; E371-A375 PolarHBondContact O-N 3.25Å; E372-A375 PolarHBondContact O-N 3.32Å; A375-Q379 WeakPolarHBondContact O-CG 3.38Å; A375-Q379 PolarHBondContact O-N 3.42Å; A375-Q379 VanDerWaalsContact O-N 3.16Å
376	R	96.3	Very high	95.2	Very high	132 Å²	132	96.6 Å²	96.6	50%	0.498	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-38.4	174.8	-175.5	57.5	177.5	178	5.7	112.8	E372 S373 K374 L380	E372-R376 WeakPolarHBondContact O-CB 3.48Å; E372-R376 PolarHBondContact O-N 2.99Å; S373-R376 PolarHBondContact O-N 3.47Å; K374-R376 PolarHBondContact O-N 3.31Å; R376-L380 HydrophobicContact CG-CD1 4.38Å; R376-L380 WeakPolarHBondContact O-CG 3.25Å; R376-L380 PolarHBondContact O-N 3.29Å; R376-L380 VanDerWaalsContact O-N 3.12Å
377	I	93.7	Very high	95.2	Very high	91 Å²	91	98.2 Å²	98.2	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-47.5	175.1	-70.8	164.7	0	0	0	109.8	S373 K374 Q379 L380 E381	S373-I377 WeakPolarHBondContact O-CG1 3.46Å; S373-I377 PolarHBondContact O-N 3.45Å; K374-I377 WeakPolarHBondContact O-CB 3.43Å; K374-I377 PolarHBondContact O-N 2.93Å; I377-Q379 VanDerWaalsContact C-N 3.3Å; I377-Q379 PolarHBondContact O-N 2.83Å; I377-L380 PolarHBondContact O-N 3.12Å; I377-E381 HydrophobicContact CG2-CG 4.31Å; I377-E381 WeakPolarHBondContact O-CG 3.29Å; I377-E381 PolarHBondContact O-N 3.26Å
378	D	95.9	Very high	95.2	Very high	100 Å²	100	102 Å²	102	54%	0.535	50%	0.497	S	S	.	.	H	α-helix	trans	-57.9	-42.3	179.4	-65.3	-21.4	0	0	0	111.7	K374 E381 E382	K374-D378 PolarHBondContact O-N 3.01Å; D378-E381 PolarHBondContact O-N 3.35Å; D378-E382 PolarHBondContact O-N 3.49Å; D378-E382 VanDerWaalsContact O-N 3.08Å
379	Q	95.3	Very high	95.2	Very high	95 Å²	95	100.6 Å²	100.6	44%	0.444	49%	0.494	S	S	.	.	H	α-helix	trans	-60.8	-46.1	174.1	-73.9	173.1	2	0	0	112.6	A375 I377 E381 E382 E383	A375-Q379 WeakPolarHBondContact O-CG 3.38Å; A375-Q379 PolarHBondContact O-N 3.42Å; A375-Q379 VanDerWaalsContact O-N 3.16Å; I377-Q379 VanDerWaalsContact C-N 3.3Å; I377-Q379 PolarHBondContact O-N 2.83Å; Q379-E381 VanDerWaalsContact C-N 3.31Å; Q379-E381 PolarHBondContact O-N 3.31Å; Q379-E382 PolarHBondContact O-N 2.83Å; Q379-E383 WeakPolarHBondContact O-CG 3.49Å; Q379-E383 PolarHBondContact O-N 2.97Å
380	L	95.4	Very high	95.3	Very high	74 Å²	74	98.4 Å²	98.4	39%	0.387	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-34.2	179.4	-72.1	172.1	0	0	0	111.9	R376 I377 L384	R376-L380 HydrophobicContact CG-CD1 4.38Å; R376-L380 WeakPolarHBondContact O-CG 3.25Å; R376-L380 PolarHBondContact O-N 3.29Å; R376-L380 VanDerWaalsContact O-N 3.12Å; I377-L380 PolarHBondContact O-N 3.12Å; L380-L384 WeakPolarHBondContact O-CB 3.24Å; L380-L384 VanDerWaalsContact O-CG 3.27Å; L380-L384 WeakPolarHBondContact O-CG 3.4Å; L380-L384 PolarHBondContact O-N 3.32Å
381	E	95.7	Very high	95.4	Very high	117 Å²	117	100.8 Å²	100.8	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-66.1	-38.7	174.4	-72.3	-172.6	168	0	0	112.1	I377 D378 Q379 L384 K385	I377-E381 HydrophobicContact CG2-CG 4.31Å; I377-E381 WeakPolarHBondContact O-CG 3.29Å; I377-E381 PolarHBondContact O-N 3.26Å; D378-E381 PolarHBondContact O-N 3.35Å; Q379-E381 VanDerWaalsContact C-N 3.31Å; Q379-E381 PolarHBondContact O-N 3.31Å; E381-L384 PolarHBondContact O-N 3.27Å; E381-K385 WeakPolarHBondContact O-CB 3.26Å; E381-K385 PolarHBondContact O-N 3Å
382	E	95.8	Very high	95.4	Very high	143 Å²	143	101.2 Å²	101.2	67%	0.668	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-44.4	174.5	-169.5	171.9	-165.7	0	0	111.9	D378 Q379 L384 K385 S386	D378-E382 PolarHBondContact O-N 3.49Å; D378-E382 VanDerWaalsContact O-N 3.08Å; Q379-E382 PolarHBondContact O-N 2.83Å; E382-L384 PolarHBondContact O-N 3.44Å; E382-K385 PolarHBondContact O-N 2.84Å; E382-S386 PolarHBondContact O-N 3.21Å
383	E	96.2	Very high	95.3	Very high	101 Å²	101	97.9 Å²	97.9	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-44.3	173	-72.6	177.6	-168.8	0	0	111.6	Q379 K385 S386 N387	Q379-E383 WeakPolarHBondContact O-CG 3.49Å; Q379-E383 PolarHBondContact O-N 2.97Å; E383-K385 VanDerWaalsContact C-N 3.33Å; E383-K385 PolarHBondContact O-N 2.88Å; E383-S386 PolarHBondContact O-N 2.8Å; E383-N387 WeakPolarHBondContact O-CB 3.3Å; E383-N387 VanDerWaalsContact O-CG 3.29Å; E383-N387 PolarHBondContact O-N 3.41Å; E383-N387 PolarHBondContact O-ND2 3.11Å
384	L	95.8	Very high	95.4	Very high	89 Å²	89	100.9 Å²	100.9	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.3	-80.4	175.4	0	0	0	112.1	L380 E381 E382 R388	L380-L384 WeakPolarHBondContact O-CB 3.24Å; L380-L384 VanDerWaalsContact O-CG 3.27Å; L380-L384 WeakPolarHBondContact O-CG 3.4Å; L380-L384 PolarHBondContact O-N 3.32Å; E381-L384 PolarHBondContact O-N 3.27Å; E382-L384 PolarHBondContact O-N 3.44Å; L384-R388 WeakPolarHBondContact O-CG 3.39Å; L384-R388 PolarHBondContact O-N 2.98Å
385	K	96.4	Very high	95.4	Very high	133 Å²	133	101.3 Å²	101.3	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-64	-48.3	175.6	-174.3	-178.6	176.2	-173.7	0	111	E381 E382 E383 N387 R388 D389	E381-K385 WeakPolarHBondContact O-CB 3.26Å; E381-K385 PolarHBondContact O-N 3Å; E382-K385 PolarHBondContact O-N 2.84Å; E383-K385 VanDerWaalsContact C-N 3.33Å; E383-K385 PolarHBondContact O-N 2.88Å; K385-N387 VanDerWaalsContact C-N 3.32Å; K385-N387 PolarHBondContact O-N 2.92Å; K385-R388 PolarHBondContact O-N 3.29Å; K385-D389 PolarHBondContact O-N 3.42Å
386	S	96.2	Very high	95.4	Very high	68 Å²	68	101.5 Å²	101.5	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-41.4	176.8	-179.6	0	0	0	0	112.7	E382 E383 D389 S390	E382-S386 PolarHBondContact O-N 3.21Å; E383-S386 PolarHBondContact O-N 2.8Å; S386-D389 PolarHBondContact O-N 2.94Å; S386-S390 PolarHBondContact O-N 3.31Å; S386-S390 PolarHBondContact O-OG 3.08Å
387	N	94.5	Very high	95.3	Very high	100 Å²	100	100.4 Å²	100.4	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-38.8	176.5	-75.6	-31.2	0	0	0	112.4	E383 K385 S390 L391	E383-N387 WeakPolarHBondContact O-CB 3.3Å; E383-N387 VanDerWaalsContact O-CG 3.29Å; E383-N387 PolarHBondContact O-N 3.41Å; E383-N387 PolarHBondContact O-ND2 3.11Å; K385-N387 VanDerWaalsContact C-N 3.32Å; K385-N387 PolarHBondContact O-N 2.92Å; N387-S390 PolarHBondContact O-N 3.12Å; N387-L391 WeakPolarHBondContact O-CB 3.43Å; N387-L391 PolarHBondContact O-N 3.19Å
388	R	95.1	Very high	95.4	Very high	165 Å²	165	102 Å²	102	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-43.6	174.3	-76.3	177.8	-165.3	140.2	4	111.7	L384 K385 S390 L391 H392	L384-R388 WeakPolarHBondContact O-CG 3.39Å; L384-R388 PolarHBondContact O-N 2.98Å; K385-R388 PolarHBondContact O-N 3.29Å; R388-S390 VanDerWaalsContact C-N 3.31Å; R388-S390 PolarHBondContact O-N 3.44Å; R388-L391 PolarHBondContact O-N 3.15Å; R388-H392 WeakPolarHBondContact O-CB 3.4Å; R388-H392 PolarHBondContact O-N 2.97Å
389	D	95.6	Very high	95.4	Very high	97 Å²	97	102.3 Å²	102.3	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.7	-66.6	-19.5	0	0	0	110.6	K385 S386 H392 T393	K385-D389 PolarHBondContact O-N 3.42Å; S386-D389 PolarHBondContact O-N 2.94Å; D389-H392 PolarHBondContact O-N 2.61Å; D389-T393 WeakPolarHBondContact O-CG2 3.44Å; D389-T393 PolarHBondContact O-N 3.19Å
390	S	95.8	Very high	95.4	Very high	48 Å²	48	106.1 Å²	106.1	34%	0.336	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-45.4	174.9	-56.9	0	0	0	0	112.2	S386 N387 R388 H392 T393 F394	S386-S390 PolarHBondContact O-N 3.31Å; S386-S390 PolarHBondContact O-OG 3.08Å; N387-S390 PolarHBondContact O-N 3.12Å; R388-S390 VanDerWaalsContact C-N 3.31Å; R388-S390 PolarHBondContact O-N 3.44Å; S390-H392 VanDerWaalsContact C-N 3.3Å; S390-H392 PolarHBondContact O-N 3.16Å; S390-T393 PolarHBondContact O-N 3.27Å; S390-T393 VanDerWaalsContact O-N 3.16Å; S390-T393 PolarHBondContact O-OG1 3.42Å; S390-F394 WeakPolarHBondContact O-CD2 3.47Å; S390-F394 PolarHBondContact O-N 3.07Å
391	L	96.1	Very high	95.4	Very high	102 Å²	102	105.6 Å²	105.6	53%	0.534	52%	0.518	S	S	.	.	H	α-helix	trans	-58.2	-44.5	176	-167.5	97.6	0	0	0	111.1	N387 R388 T393 F394 E395	N387-L391 WeakPolarHBondContact O-CB 3.43Å; N387-L391 PolarHBondContact O-N 3.19Å; R388-L391 PolarHBondContact O-N 3.15Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 2.83Å; L391-F394 PolarHBondContact O-N 2.84Å; L391-F394 VanDerWaalsContact O-N 3.16Å; L391-E395 WeakPolarHBondContact CD2-OE1 3.39Å; L391-E395 WeakPolarHBondContact O-CG 3.33Å; L391-E395 PolarHBondContact O-N 3.46Å
392	H	94.6	Very high	95.3	Very high	117 Å²	117	101.8 Å²	101.8	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-41.3	177.3	-173.2	58.7	0	0	0	111.7	R388 D389 S390 F394 E395 T396	R388-H392 WeakPolarHBondContact O-CB 3.4Å; R388-H392 PolarHBondContact O-N 2.97Å; D389-H392 PolarHBondContact O-N 2.61Å; S390-H392 VanDerWaalsContact C-N 3.3Å; S390-H392 PolarHBondContact O-N 3.16Å; H392-F394 PolarHBondContact O-N 2.85Å; H392-E395 IonicContact ND1-OE2 2.66Å; H392-E395 PolarHBondContact O-N 3.35Å; H392-T396 WeakPolarHBondContact O-CG2 3.31Å; H392-T396 PolarHBondContact O-N 2.91Å
393	T	94.8	Very high	95.3	Very high	70 Å²	70	96.4 Å²	96.4	43%	0.429	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-44.8	174.2	60.1	0	0	0	0	112	D389 S390 L391 E395 T396 E397	D389-T393 WeakPolarHBondContact O-CG2 3.44Å; D389-T393 PolarHBondContact O-N 3.19Å; S390-T393 PolarHBondContact O-N 3.27Å; S390-T393 VanDerWaalsContact O-N 3.16Å; S390-T393 PolarHBondContact O-OG1 3.42Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 2.83Å; T393-E395 PolarHBondContact O-N 3.39Å; T393-T396 PolarHBondContact O-N 2.97Å; T393-T396 PolarHBondContact O-OG1 3.2Å; T393-E397 WeakPolarHBondContact O-CG 3.32Å; T393-E397 PolarHBondContact O-N 3.49Å
394	F	94.1	Very high	95.3	Very high	130 Å²	130	96.1 Å²	96.1	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-39.2	176.6	-69.6	-55.6	0	0	0	113.2	S390 L391 H392 T396 E397 L398	S390-F394 WeakPolarHBondContact O-CD2 3.47Å; S390-F394 PolarHBondContact O-N 3.07Å; L391-F394 PolarHBondContact O-N 2.84Å; L391-F394 VanDerWaalsContact O-N 3.16Å; H392-F394 PolarHBondContact O-N 2.85Å; F394-T396 VanDerWaalsContact C-N 3.34Å; F394-T396 PolarHBondContact O-N 3.41Å; F394-E397 PolarHBondContact O-N 3.22Å; F394-L398 WeakPolarHBondContact O-CB 3.42Å; F394-L398 PolarHBondContact O-N 3.37Å
395	E	94.9	Very high	95.3	Very high	108 Å²	108	95.4 Å²	95.4	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-44	174.7	-74.3	174.9	171.1	0	0	111.3	L391 H392 T393 E397 L398 E399	L391-E395 WeakPolarHBondContact CD2-OE1 3.39Å; L391-E395 WeakPolarHBondContact O-CG 3.33Å; L391-E395 PolarHBondContact O-N 3.46Å; H392-E395 IonicContact ND1-OE2 2.66Å; H392-E395 PolarHBondContact O-N 3.35Å; T393-E395 PolarHBondContact O-N 3.39Å; E395-E397 VanDerWaalsContact C-N 3.35Å; E395-E397 PolarHBondContact O-N 3.18Å; E395-L398 PolarHBondContact O-N 2.85Å; E395-E399 PolarHBondContact O-N 3.35Å
396	T	94.8	Very high	95.3	Very high	51 Å²	51	95.4 Å²	95.4	31%	0.313	48%	0.483	S	S	.	.	H	α-helix	trans	-65.7	-36.6	177.3	64.2	0	0	0	0	112.7	H392 T393 F394 R400	H392-T396 WeakPolarHBondContact O-CG2 3.31Å; H392-T396 PolarHBondContact O-N 2.91Å; T393-T396 PolarHBondContact O-N 2.97Å; T393-T396 PolarHBondContact O-OG1 3.2Å; F394-T396 VanDerWaalsContact C-N 3.34Å; F394-T396 PolarHBondContact O-N 3.41Å; T396-R400 VanDerWaalsContact O-CG 3.25Å; T396-R400 WeakPolarHBondContact O-CG 3.16Å; T396-R400 PolarHBondContact O-N 3.34Å; T396-R400 VanDerWaalsContact O-N 3.07Å
397	E	95.2	Very high	95.3	Very high	109 Å²	109	98 Å²	98	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-68.7	-41	175.4	-72.4	-179.8	175.4	0	0	112	T393 F394 E395 R400 S401	T393-E397 WeakPolarHBondContact O-CG 3.32Å; T393-E397 PolarHBondContact O-N 3.49Å; F394-E397 PolarHBondContact O-N 3.22Å; E395-E397 VanDerWaalsContact C-N 3.35Å; E395-E397 PolarHBondContact O-N 3.18Å; E397-R400 PolarHBondContact O-N 3.15Å; E397-S401 PolarHBondContact O-N 3.4Å
398	L	95.7	Very high	95.4	Very high	124 Å²	124	98 Å²	98	65%	0.649	49%	0.488	S	S	*	.	H	α-helix	trans	-62.4	-43.5	176.1	-177.7	61.9	0	0	0	111.2	F394 E395 S401 S402	F394-L398 WeakPolarHBondContact O-CB 3.42Å; F394-L398 PolarHBondContact O-N 3.37Å; E395-L398 PolarHBondContact O-N 2.85Å; L398-S401 PolarHBondContact O-N 2.87Å; L398-S402 WeakPolarHBondContact O-CB 3.5Å; L398-S402 PolarHBondContact O-N 3.06Å
399	E	94.9	Very high	95.5	Very high	108 Å²	108	95.6 Å²	95.6	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-68.1	-35.1	177.9	-172.9	57.3	-161.9	0	0	112.3	E395 S402 A403 R406	E395-E399 PolarHBondContact O-N 3.35Å; E399-S402 WeakPolarHBondContact CA-OG 3.31Å; E399-S402 PolarHBondContact O-N 2.86Å; E399-S402 PolarHBondContact O-OG 3.24Å; E399-S402 PolarHBondContact OE2-OG 2.9Å; E399-A403 VanDerWaalsContact O-CB 3.29Å; E399-A403 WeakPolarHBondContact O-CB 3.11Å; E399-A403 PolarHBondContact O-N 3.46Å; E399-R406 IonicContact OE1-CZ 2.76Å; E399-R406 IonicContact OE1-NH2 3.93Å; E399-R406 PolarHBondContact OE1-NH2 3.36Å
400	R	95.3	Very high	95.6	Very high	174 Å²	174	95.1 Å²	95.1	66%	0.657	48%	0.484	S	S	*	.	H	α-helix	trans	-62.9	-45.1	171.2	-74	170.2	-175.1	164.9	4.4	111.5	T396 E397 A403 L404	T396-R400 VanDerWaalsContact O-CG 3.25Å; T396-R400 WeakPolarHBondContact O-CG 3.16Å; T396-R400 PolarHBondContact O-N 3.34Å; T396-R400 VanDerWaalsContact O-N 3.07Å; E397-R400 PolarHBondContact O-N 3.15Å; R400-A403 PolarHBondContact O-N 2.99Å; R400-L404 PolarHBondContact O-N 2.87Å
401	S	95	Very high	95.6	Very high	64 Å²	64	97.4 Å²	97.4	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-39.1	177.2	-171.8	0	0	0	0	111.8	E397 L398 L404 C405	E397-S401 PolarHBondContact O-N 3.4Å; L398-S401 PolarHBondContact O-N 2.87Å; S401-L404 PolarHBondContact O-N 3.39Å; S401-C405 PolarHBondContact O-N 3.07Å; S401-C405 PolarHBondContact O-SG 3.46Å; S401-C405 VanDerWaalsContact O-SG 3.34Å
402	S	95.2	Very high	95.7	Very high	36 Å²	36	97.4 Å²	97.4	25%	0.252	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-40.4	178.1	83	0	0	0	0	111.2	L398 E399 C405 R406	L398-S402 WeakPolarHBondContact O-CB 3.5Å; L398-S402 PolarHBondContact O-N 3.06Å; E399-S402 WeakPolarHBondContact CA-OG 3.31Å; E399-S402 PolarHBondContact O-N 2.86Å; E399-S402 PolarHBondContact O-OG 3.24Å; E399-S402 PolarHBondContact OE2-OG 2.9Å; S402-C405 PolarHBondContact O-N 3.11Å; S402-R406 WeakPolarHBondContact O-CG 3.45Å; S402-R406 PolarHBondContact O-N 3.44Å; S402-R406 PolarHBondContact O-NE 3.08Å; S402-R406 PolarHBondContact OG-NH2 3.29Å
403	A	95.4	Very high	95.8	Very high	31 Å²	31	96.9 Å²	96.9	26%	0.256	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-48.7	172.8	0	0	0	0	0	111.6	E399 R400 C405 R406 E407	E399-A403 VanDerWaalsContact O-CB 3.29Å; E399-A403 WeakPolarHBondContact O-CB 3.11Å; E399-A403 PolarHBondContact O-N 3.46Å; R400-A403 PolarHBondContact O-N 2.99Å; A403-C405 VanDerWaalsContact C-N 3.32Å; A403-C405 PolarHBondContact O-N 3Å; A403-R406 WeakPolarHBondContact O-CB 3.49Å; A403-R406 PolarHBondContact O-N 3.05Å; A403-R406 VanDerWaalsContact O-N 3.1Å; A403-E407 PolarHBondContact O-N 3.03Å
404	L	96.2	Very high	95.9	Very high	94 Å²	94	98.8 Å²	98.8	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-59.5	-41.7	177.1	-176.2	65.2	0	0	0	112.2	R400 S401 R406 E407 L408	R400-L404 PolarHBondContact O-N 2.87Å; S401-L404 PolarHBondContact O-N 3.39Å; L404-R406 VanDerWaalsContact C-N 3.34Å; L404-R406 PolarHBondContact O-N 3.19Å; L404-E407 PolarHBondContact O-N 2.91Å; L404-L408 HydrophobicContact CG-CD1 4.24Å; L404-L408 WeakPolarHBondContact O-CB 2.91Å; L404-L408 WeakPolarHBondContact O-CG 3.26Å; L404-L408 PolarHBondContact O-N 3.23Å
405	C	95.1	Very high	96	Very high	75 Å²	75	98.7 Å²	98.7	51%	0.507	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-41.3	175.1	-74.8	0	0	0	0	112.4	S401 S402 A403 Q409	S401-C405 PolarHBondContact O-N 3.07Å; S401-C405 PolarHBondContact O-SG 3.46Å; S401-C405 VanDerWaalsContact O-SG 3.34Å; S402-C405 PolarHBondContact O-N 3.11Å; A403-C405 VanDerWaalsContact C-N 3.32Å; A403-C405 PolarHBondContact O-N 3Å; C405-Q409 WeakPolarHBondContact O-CB 3.4Å; C405-Q409 PolarHBondContact O-N 3.41Å
406	R	96.4	Very high	96.1	Very high	132 Å²	132	97.4 Å²	97.4	50%	0.498	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-45.2	175.8	-74.4	179.6	-72.1	-157.3	-2.1	111.3	E399 S402 A403 L404 Q409 T410	E399-R406 IonicContact OE1-CZ 2.76Å; E399-R406 IonicContact OE1-NH2 3.93Å; E399-R406 PolarHBondContact OE1-NH2 3.36Å; S402-R406 WeakPolarHBondContact O-CG 3.45Å; S402-R406 PolarHBondContact O-N 3.44Å; S402-R406 PolarHBondContact O-NE 3.08Å; S402-R406 PolarHBondContact OG-NH2 3.29Å; A403-R406 WeakPolarHBondContact O-CB 3.49Å; A403-R406 PolarHBondContact O-N 3.05Å; A403-R406 VanDerWaalsContact O-N 3.1Å; L404-R406 VanDerWaalsContact C-N 3.34Å; L404-R406 PolarHBondContact O-N 3.19Å; R406-Q409 WeakPolarHBondContact O-CB 3.13Å; R406-Q409 PolarHBondContact O-N 3.33Å; R406-T410 PolarHBondContact O-N 2.93Å; R406-T410 PolarHBondContact O-OG1 3.41Å
407	E	96.7	Very high	96.1	Very high	122 Å²	122	97.1 Å²	97.1	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-48	176.9	-72.4	178.3	-175.9	0	0	112.1	A403 L404 Q409 T410 L411	A403-E407 PolarHBondContact O-N 3.03Å; L404-E407 PolarHBondContact O-N 2.91Å; E407-Q409 VanDerWaalsContact C-N 3.27Å; E407-Q409 PolarHBondContact O-N 3.27Å; E407-T410 PolarHBondContact O-N 3.01Å; E407-L411 WeakPolarHBondContact O-CG 3.47Å; E407-L411 PolarHBondContact O-N 2.8Å
408	L	96.6	Very high	96.2	Very high	101 Å²	101	93.9 Å²	93.9	53%	0.529	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-37.1	176.8	-73.7	173.7	0	0	0	112.1	L404 L412	L404-L408 HydrophobicContact CG-CD1 4.24Å; L404-L408 WeakPolarHBondContact O-CB 2.91Å; L404-L408 WeakPolarHBondContact O-CG 3.26Å; L404-L408 PolarHBondContact O-N 3.23Å; L408-L412 VanDerWaalsContact O-CB 3.29Å; L408-L412 WeakPolarHBondContact O-CB 3.46Å; L408-L412 PolarHBondContact O-N 3.2Å
409	Q	97.5	Very high	96.3	Very high	115 Å²	115	94.1 Å²	94.1	54%	0.537	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.1	-174	175.5	2.2	0	0	111.8	C405 R406 E407 L412 Q413	C405-Q409 WeakPolarHBondContact O-CB 3.4Å; C405-Q409 PolarHBondContact O-N 3.41Å; R406-Q409 WeakPolarHBondContact O-CB 3.13Å; R406-Q409 PolarHBondContact O-N 3.33Å; E407-Q409 VanDerWaalsContact C-N 3.27Å; E407-Q409 PolarHBondContact O-N 3.27Å; Q409-L412 PolarHBondContact O-N 3.38Å; Q409-Q413 WeakPolarHBondContact O-CG 3.13Å; Q409-Q413 PolarHBondContact O-N 3.49Å
410	T	96.1	Very high	96.3	Very high	86 Å²	86	96.5 Å²	96.5	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-45.8	175.4	-58.4	0	0	0	0	111.6	R406 E407 L412 Q413 Q414	R406-T410 PolarHBondContact O-N 2.93Å; R406-T410 PolarHBondContact O-OG1 3.41Å; E407-T410 PolarHBondContact O-N 3.01Å; T410-L412 VanDerWaalsContact C-N 3.35Å; T410-L412 PolarHBondContact O-N 3.16Å; T410-Q413 PolarHBondContact O-N 3.27Å; T410-Q414 PolarHBondContact O-N 3Å
411	L	97.2	Very high	96.4	Very high	97 Å²	97	94.4 Å²	94.4	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-44	176.3	-72.4	173.4	0	0	0	111.6	E407 Q413 Q414 E415	E407-L411 WeakPolarHBondContact O-CG 3.47Å; E407-L411 PolarHBondContact O-N 2.8Å; L411-Q413 VanDerWaalsContact C-N 3.32Å; L411-Q413 PolarHBondContact O-N 2.89Å; L411-Q414 PolarHBondContact O-N 3.42Å; L411-E415 WeakPolarHBondContact O-CG 3.44Å; L411-E415 PolarHBondContact O-N 2.99Å
412	L	97.4	Very high	96.5	Very high	101 Å²	101	96.9 Å²	96.9	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-41.6	176.6	178.8	62.3	0	0	0	111.9	L408 Q409 T410 Q416	L408-L412 VanDerWaalsContact O-CB 3.29Å; L408-L412 WeakPolarHBondContact O-CB 3.46Å; L408-L412 PolarHBondContact O-N 3.2Å; Q409-L412 PolarHBondContact O-N 3.38Å; T410-L412 VanDerWaalsContact C-N 3.35Å; T410-L412 PolarHBondContact O-N 3.16Å; L412-Q416 HydrophobicContact CD1-CG 4.37Å; L412-Q416 WeakPolarHBondContact O-CB 3.48Å; L412-Q416 WeakPolarHBondContact O-CG 3.46Å; L412-Q416 PolarHBondContact O-N 3.43Å
413	Q	96.7	Very high	96.6	Very high	107 Å²	107	99.8 Å²	99.8	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.7	-75.8	175.6	-10.1	0	0	111.8	Q409 T410 L411 Q416 S417	Q409-Q413 WeakPolarHBondContact O-CG 3.13Å; Q409-Q413 PolarHBondContact O-N 3.49Å; T410-Q413 PolarHBondContact O-N 3.27Å; L411-Q413 VanDerWaalsContact C-N 3.32Å; L411-Q413 PolarHBondContact O-N 2.89Å; Q413-Q416 PolarHBondContact O-N 2.97Å; Q413-S417 PolarHBondContact O-N 3.35Å; Q413-S417 PolarHBondContact O-OG 3.36Å
414	Q	96.9	Very high	96.6	Very high	109 Å²	109	101.9 Å²	101.9	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-48.8	176.8	-175.7	177.2	-2.3	0	0	111.5	T410 L411 Q416 S417 S418	T410-Q414 PolarHBondContact O-N 3Å; L411-Q414 PolarHBondContact O-N 3.42Å; Q414-Q416 VanDerWaalsContact C-N 3.29Å; Q414-Q416 PolarHBondContact O-N 2.92Å; Q414-S417 WeakPolarHBondContact CA-OG 3Å; Q414-S417 PolarHBondContact O-N 2.82Å; Q414-S417 VanDerWaalsContact O-N 3.12Å; Q414-S417 PolarHBondContact O-OG 2.78Å; Q414-S418 PolarHBondContact O-N 2.94Å; Q414-S418 PolarHBondContact O-OG 3.14Å
415	E	96.4	Very high	96.7	Very high	128 Å²	128	102.9 Å²	102.9	60%	0.598	51%	0.51	S	S	*	.	H	α-helix	trans	-60.8	-38.2	176.4	-73.9	-58.3	136.5	0	0	112.1	L411 S418 K419	L411-E415 WeakPolarHBondContact O-CG 3.44Å; L411-E415 PolarHBondContact O-N 2.99Å; E415-S418 PolarHBondContact O-N 3.41Å; E415-K419 VanDerWaalsContact O-CB 3.26Å; E415-K419 WeakPolarHBondContact O-CB 3.48Å; E415-K419 PolarHBondContact O-N 3.49Å
416	Q	97	Very high	96.7	Very high	81 Å²	81	103.5 Å²	103.5	38%	0.379	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-40.6	174.4	-76.2	176.9	7.8	0	0	112.5	L412 Q413 Q414 R420	L412-Q416 HydrophobicContact CD1-CG 4.37Å; L412-Q416 WeakPolarHBondContact O-CB 3.48Å; L412-Q416 WeakPolarHBondContact O-CG 3.46Å; L412-Q416 PolarHBondContact O-N 3.43Å; Q413-Q416 PolarHBondContact O-N 2.97Å; Q414-Q416 VanDerWaalsContact C-N 3.29Å; Q414-Q416 PolarHBondContact O-N 2.92Å; Q416-R420 WeakPolarHBondContact O-CG 2.97Å; Q416-R420 PolarHBondContact O-N 3.5Å; Q416-R420 VanDerWaalsContact O-N 3.12Å
417	S	96	Very high	96.7	Very high	45 Å²	45	103.3 Å²	103.3	32%	0.315	51%	0.513	S	S	.	.	H	α-helix	trans	-64.7	-48.3	174.3	42.2	0	0	0	0	112.1	Q413 Q414 K419 R420 E421	Q413-S417 PolarHBondContact O-N 3.35Å; Q413-S417 PolarHBondContact O-OG 3.36Å; Q414-S417 WeakPolarHBondContact CA-OG 3Å; Q414-S417 PolarHBondContact O-N 2.82Å; Q414-S417 VanDerWaalsContact O-N 3.12Å; Q414-S417 PolarHBondContact O-OG 2.78Å; S417-K419 VanDerWaalsContact C-N 3.29Å; S417-K419 PolarHBondContact O-N 2.98Å; S417-R420 WeakPolarHBondContact O-CB 3.25Å; S417-R420 PolarHBondContact O-N 2.96Å; S417-E421 PolarHBondContact O-N 2.94Å
418	S	96.6	Very high	96.7	Very high	42 Å²	42	99.9 Å²	99.9	29%	0.294	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-38.4	178.4	-61.1	0	0	0	0	111.9	Q414 E415 R420 E421 L422	Q414-S418 PolarHBondContact O-N 2.94Å; Q414-S418 PolarHBondContact O-OG 3.14Å; E415-S418 PolarHBondContact O-N 3.41Å; S418-R420 PolarHBondContact O-N 3.09Å; S418-E421 PolarHBondContact O-N 3.27Å; S418-L422 WeakPolarHBondContact O-CB 2.88Å; S418-L422 WeakPolarHBondContact O-CG 3.21Å; S418-L422 PolarHBondContact O-N 3.15Å
419	K	97	Very high	96.8	Very high	128 Å²	128	99.6 Å²	99.6	56%	0.557	50%	0.504	S	S	*	.	H	α-helix	trans	-60	-44	172.5	179.2	178.6	175.3	-179.8	0	112.1	E415 S417 L422 Q423	E415-K419 VanDerWaalsContact O-CB 3.26Å; E415-K419 WeakPolarHBondContact O-CB 3.48Å; E415-K419 PolarHBondContact O-N 3.49Å; S417-K419 VanDerWaalsContact C-N 3.29Å; S417-K419 PolarHBondContact O-N 2.98Å; K419-L422 PolarHBondContact O-N 3.03Å; K419-Q423 HydrophobicContact CG-CG 4.49Å; K419-Q423 WeakPolarHBondContact O-CB 2.96Å; K419-Q423 VanDerWaalsContact O-CG 3.25Å; K419-Q423 WeakPolarHBondContact O-CG 3.36Å; K419-Q423 PolarHBondContact O-N 3.35Å
420	R	96	Very high	96.7	Very high	158 Å²	158	101.7 Å²	101.7	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-41.6	178.4	-71.9	174.7	-164.2	141.4	6.3	111.5	Q416 S417 S418 Q423 S424	Q416-R420 WeakPolarHBondContact O-CG 2.97Å; Q416-R420 PolarHBondContact O-N 3.5Å; Q416-R420 VanDerWaalsContact O-N 3.12Å; S417-R420 WeakPolarHBondContact O-CB 3.25Å; S417-R420 PolarHBondContact O-N 2.96Å; S418-R420 PolarHBondContact O-N 3.09Å; R420-Q423 PolarHBondContact O-N 2.73Å; R420-S424 PolarHBondContact O-N 3.44Å
421	E	96.7	Very high	96.7	Very high	131 Å²	131	104.1 Å²	104.1	61%	0.612	51%	0.51	S	S	*	.	H	α-helix	trans	-61.3	-47.6	175.9	-70.7	172.6	-176.4	0	0	111.6	S417 S418 Q423 S424 M425	S417-E421 PolarHBondContact O-N 2.94Å; S418-E421 PolarHBondContact O-N 3.27Å; E421-Q423 VanDerWaalsContact C-N 3.32Å; E421-Q423 PolarHBondContact O-N 3.37Å; E421-S424 PolarHBondContact O-N 3.42Å; E421-M425 PolarHBondContact O-N 2.94Å
422	L	96.9	Very high	96.7	Very high	116 Å²	116	103.5 Å²	103.5	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-62	-38.7	176.1	-73.8	172.4	0	0	0	112.3	S418 K419 M425 L426	S418-L422 WeakPolarHBondContact O-CB 2.88Å; S418-L422 WeakPolarHBondContact O-CG 3.21Å; S418-L422 PolarHBondContact O-N 3.15Å; K419-L422 PolarHBondContact O-N 3.03Å; L422-M425 PolarHBondContact O-N 3.5Å; L422-L426 VanDerWaalsContact O-CB 3.27Å; L422-L426 WeakPolarHBondContact O-CB 3.22Å; L422-L426 PolarHBondContact O-N 2.84Å
423	Q	97.3	Very high	96.6	Very high	96 Å²	96	103 Å²	103	45%	0.449	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-46	175.1	-77.2	176.4	-33.3	0	0	111.6	K419 R420 E421 M425 L426 E427	K419-Q423 HydrophobicContact CG-CG 4.49Å; K419-Q423 WeakPolarHBondContact O-CB 2.96Å; K419-Q423 VanDerWaalsContact O-CG 3.25Å; K419-Q423 WeakPolarHBondContact O-CG 3.36Å; K419-Q423 PolarHBondContact O-N 3.35Å; R420-Q423 PolarHBondContact O-N 2.73Å; E421-Q423 VanDerWaalsContact C-N 3.32Å; E421-Q423 PolarHBondContact O-N 3.37Å; Q423-M425 PolarHBondContact O-N 2.91Å; Q423-L426 PolarHBondContact O-N 3.38Å; Q423-E427 WeakPolarHBondContact O-CG 3.31Å; Q423-E427 PolarHBondContact O-N 3.46Å
424	S	96.4	Very high	96.6	Very high	76 Å²	76	103.6 Å²	103.6	53%	0.531	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-43	176.7	-179.7	0	0	0	0	112.1	R420 E421 L426 E427 A428	R420-S424 PolarHBondContact O-N 3.44Å; E421-S424 PolarHBondContact O-N 3.42Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 2.97Å; S424-E427 PolarHBondContact O-N 3.22Å; S424-A428 PolarHBondContact O-N 3.05Å
425	M	97.1	Very high	96.5	Very high	115 Å²	115	103.8 Å²	103.8	57%	0.567	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-40.4	176.4	-171.7	179.9	-61.9	0	0	112.1	E421 L422 Q423 A428 L429	E421-M425 PolarHBondContact O-N 2.94Å; L422-M425 PolarHBondContact O-N 3.5Å; Q423-M425 PolarHBondContact O-N 2.91Å; M425-A428 PolarHBondContact O-N 3.29Å; M425-L429 HydrophobicContact CG-CD1 4.42Å; M425-L429 WeakPolarHBondContact O-CG 3.02Å; M425-L429 PolarHBondContact O-N 2.6Å
426	L	96.9	Very high	96.6	Very high	88 Å²	88	102.8 Å²	102.8	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-37.9	177.7	-175.5	139.6	0	0	0	112.1	L422 Q423 S424 R430	L422-L426 VanDerWaalsContact O-CB 3.27Å; L422-L426 WeakPolarHBondContact O-CB 3.22Å; L422-L426 PolarHBondContact O-N 2.84Å; Q423-L426 PolarHBondContact O-N 3.38Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 2.97Å; L426-R430 VanDerWaalsContact CD2-CZ 3.43Å; L426-R430 VanDerWaalsContact O-CG 3.31Å; L426-R430 WeakPolarHBondContact O-CG 3.46Å; L426-R430 PolarHBondContact O-N 3.11Å
427	E	96.6	Very high	96.5	Very high	127 Å²	127	105.6 Å²	105.6	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-64.6	-43.3	172.8	-74.2	173.7	-175.4	0	0	112.1	Q423 S424 R430 K431	Q423-E427 WeakPolarHBondContact O-CG 3.31Å; Q423-E427 PolarHBondContact O-N 3.46Å; S424-E427 PolarHBondContact O-N 3.22Å; E427-R430 WeakPolarHBondContact O-CB 3.06Å; E427-R430 PolarHBondContact O-N 3.18Å; E427-K431 PolarHBondContact O-N 3.12Å; E427-K431 VanDerWaalsContact O-N 3.07Å
428	A	96.6	Very high	96.5	Very high	51 Å²	51	109.6 Å²	109.6	42%	0.421	53%	0.533	S	S	.	.	H	α-helix	trans	-59.8	-48.7	175.5	0	0	0	0	0	111.5	S424 M425 R430 K431 D432	S424-A428 PolarHBondContact O-N 3.05Å; M425-A428 PolarHBondContact O-N 3.29Å; A428-R430 VanDerWaalsContact C-N 3.29Å; A428-R430 PolarHBondContact O-N 3.41Å; A428-K431 PolarHBondContact O-N 3.38Å; A428-D432 PolarHBondContact O-N 3.38Å
429	L	97	Very high	96.5	Very high	95 Å²	95	116 Å²	116	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-33.6	177.2	-74.4	172.4	0	0	0	113	M425 N433	M425-L429 HydrophobicContact CG-CD1 4.42Å; M425-L429 WeakPolarHBondContact O-CG 3.02Å; M425-L429 PolarHBondContact O-N 2.6Å; L429-N433 WeakPolarHBondContact O-CB 3.48Å; L429-N433 PolarHBondContact O-N 2.9Å; L429-N433 PolarHBondContact O-ND2 3.24Å
430	R	96.7	Very high	96.4	Very high	158 Å²	158	112.5 Å²	112.5	60%	0.596	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-46.8	174	-80.8	176	175.2	177.8	0.3	111.2	L426 E427 A428 D432 N433 E434	L426-R430 VanDerWaalsContact CD2-CZ 3.43Å; L426-R430 VanDerWaalsContact O-CG 3.31Å; L426-R430 WeakPolarHBondContact O-CG 3.46Å; L426-R430 PolarHBondContact O-N 3.11Å; E427-R430 WeakPolarHBondContact O-CB 3.06Å; E427-R430 PolarHBondContact O-N 3.18Å; A428-R430 VanDerWaalsContact C-N 3.29Å; A428-R430 PolarHBondContact O-N 3.41Å; R430-D432 PolarHBondContact O-N 3.09Å; R430-N433 WeakPolarHBondContact O-CB 3.26Å; R430-N433 PolarHBondContact O-N 3.07Å; R430-E434 PolarHBondContact O-N 2.98Å
431	K	96.3	Very high	96.4	Very high	137 Å²	137	110.5 Å²	110.5	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-61.6	-43.6	177.5	-174.3	177.1	178.6	-179.2	0	111.7	E427 A428 N433 E434 M435	E427-K431 PolarHBondContact O-N 3.12Å; E427-K431 VanDerWaalsContact O-N 3.07Å; A428-K431 PolarHBondContact O-N 3.38Å; K431-N433 VanDerWaalsContact C-N 3.32Å; K431-N433 PolarHBondContact O-N 3.1Å; K431-E434 PolarHBondContact O-N 3.26Å; K431-M435 WeakPolarHBondContact O-CG 3.04Å; K431-M435 PolarHBondContact O-N 3.3Å
432	D	96.3	Very high	96.3	Very high	85 Å²	85	110.7 Å²	110.7	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-61.5	-41.4	176	-71.9	-12.8	0	0	0	111.6	A428 R430 E434 M435 L436	A428-D432 PolarHBondContact O-N 3.38Å; R430-D432 PolarHBondContact O-N 3.09Å; D432-E434 VanDerWaalsContact C-N 3.35Å; D432-E434 PolarHBondContact O-N 3.25Å; D432-M435 PolarHBondContact O-N 2.96Å; D432-L436 WeakPolarHBondContact O-CB 3.36Å; D432-L436 VanDerWaalsContact O-CG 3.3Å; D432-L436 WeakPolarHBondContact O-CG 3.49Å; D432-L436 PolarHBondContact O-N 3.49Å
433	N	95.7	Very high	96.3	Very high	89 Å²	89	110 Å²	110	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-38	175.1	-88.3	-71.7	0	0	0	112.9	L429 R430 K431 L436 K437	L429-N433 WeakPolarHBondContact O-CB 3.48Å; L429-N433 PolarHBondContact O-N 2.9Å; L429-N433 PolarHBondContact O-ND2 3.24Å; R430-N433 WeakPolarHBondContact O-CB 3.26Å; R430-N433 PolarHBondContact O-N 3.07Å; K431-N433 VanDerWaalsContact C-N 3.32Å; K431-N433 PolarHBondContact O-N 3.1Å; N433-L436 PolarHBondContact O-N 3.44Å; N433-K437 WeakPolarHBondContact O-CG 2.78Å; N433-K437 PolarHBondContact O-N 3.47Å
434	E	96.3	Very high	96.2	Very high	121 Å²	121	108.5 Å²	108.5	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-46.9	174.7	-73.1	174.4	172.7	0	0	111.2	R430 K431 D432 L436 K437 E438	R430-E434 PolarHBondContact O-N 2.98Å; K431-E434 PolarHBondContact O-N 3.26Å; D432-E434 VanDerWaalsContact C-N 3.35Å; D432-E434 PolarHBondContact O-N 3.25Å; E434-L436 VanDerWaalsContact C-N 3.31Å; E434-L436 PolarHBondContact O-N 2.67Å; E434-K437 WeakPolarHBondContact O-CB 3.14Å; E434-K437 PolarHBondContact O-N 2.81Å; E434-K437 VanDerWaalsContact O-N 3.15Å; E434-E438 PolarHBondContact O-N 3.14Å
435	M	95.9	Very high	96.2	Very high	112 Å²	112	107.8 Å²	107.8	55%	0.552	54%	0.541	S	S	*	.	H	α-helix	trans	-60.4	-40.1	175.8	-68.9	-176.7	65.5	0	0	112.3	K431 D432 E438 R439	K431-M435 WeakPolarHBondContact O-CG 3.04Å; K431-M435 PolarHBondContact O-N 3.3Å; D432-M435 PolarHBondContact O-N 2.96Å; M435-E438 PolarHBondContact O-N 3.19Å; M435-R439 WeakPolarHBondContact O-CB 3.33Å; M435-R439 PolarHBondContact O-N 3.14Å
436	L	96.5	Very high	96.1	Very high	108 Å²	108	104.3 Å²	104.3	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-65.5	-39.7	175.7	-74.3	172.8	0	0	0	112	D432 N433 E434 R439 A440	D432-L436 WeakPolarHBondContact O-CB 3.36Å; D432-L436 VanDerWaalsContact O-CG 3.3Å; D432-L436 WeakPolarHBondContact O-CG 3.49Å; D432-L436 PolarHBondContact O-N 3.49Å; N433-L436 PolarHBondContact O-N 3.44Å; E434-L436 VanDerWaalsContact C-N 3.31Å; E434-L436 PolarHBondContact O-N 2.67Å; L436-R439 PolarHBondContact O-N 3.21Å; L436-A440 WeakPolarHBondContact O-CB 3.33Å; L436-A440 PolarHBondContact O-N 3.43Å
437	K	96.2	Very high	96	Very high	139 Å²	139	105.5 Å²	105.5	60%	0.604	53%	0.534	S	S	*	.	H	α-helix	trans	-62.7	-45.2	174.3	-76.7	173.5	-178.5	177	0	111.8	N433 E434 R439 A440 N441	N433-K437 WeakPolarHBondContact O-CG 2.78Å; N433-K437 PolarHBondContact O-N 3.47Å; E434-K437 WeakPolarHBondContact O-CB 3.14Å; E434-K437 PolarHBondContact O-N 2.81Å; E434-K437 VanDerWaalsContact O-N 3.15Å; K437-R439 VanDerWaalsContact C-N 3.33Å; K437-R439 PolarHBondContact O-N 3.17Å; K437-A440 PolarHBondContact O-N 3.11Å; K437-N441 PolarHBondContact O-N 2.91Å
438	E	95.5	Very high	96	Very high	130 Å²	130	103 Å²	103	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-59.9	-45.2	175.3	-72.8	179.8	176.9	0	0	111.4	E434 M435 A440 N441 M442	E434-E438 PolarHBondContact O-N 3.14Å; M435-E438 PolarHBondContact O-N 3.19Å; E438-A440 VanDerWaalsContact C-N 3.33Å; E438-A440 PolarHBondContact O-N 3.38Å; E438-N441 WeakPolarHBondContact O-CB 3.33Å; E438-N441 PolarHBondContact O-N 3.26Å; E438-M442 WeakPolarHBondContact O-CG 3.23Å; E438-M442 PolarHBondContact O-N 3.19Å
439	R	95.8	Very high	95.9	Very high	176 Å²	176	104.4 Å²	104.4	66%	0.664	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-38.7	177.8	-168.7	170.3	178.9	169.8	-1.1	112.4	M435 L436 K437 M442 L443	M435-R439 WeakPolarHBondContact O-CB 3.33Å; M435-R439 PolarHBondContact O-N 3.14Å; L436-R439 PolarHBondContact O-N 3.21Å; K437-R439 VanDerWaalsContact C-N 3.33Å; K437-R439 PolarHBondContact O-N 3.17Å; R439-M442 PolarHBondContact O-N 3.11Å; R439-L443 WeakPolarHBondContact O-CG 3.27Å; R439-L443 PolarHBondContact O-N 2.9Å
440	A	95.6	Very high	95.8	Very high	55 Å²	55	104 Å²	104	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174.1	0	0	0	0	0	111.8	L436 K437 E438 L443 S444	L436-A440 WeakPolarHBondContact O-CB 3.33Å; L436-A440 PolarHBondContact O-N 3.43Å; K437-A440 PolarHBondContact O-N 3.11Å; E438-A440 VanDerWaalsContact C-N 3.33Å; E438-A440 PolarHBondContact O-N 3.38Å; A440-L443 PolarHBondContact O-N 3.17Å; A440-S444 PolarHBondContact O-N 2.7Å
441	N	95.8	Very high	95.8	Very high	116 Å²	116	103.2 Å²	103.2	62%	0.62	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-42.8	175.4	-70.2	-19.5	0	0	0	111.9	K437 E438 L443 S444 S445	K437-N441 PolarHBondContact O-N 2.91Å; E438-N441 WeakPolarHBondContact O-CB 3.33Å; E438-N441 PolarHBondContact O-N 3.26Å; N441-L443 VanDerWaalsContact C-N 3.35Å; N441-L443 PolarHBondContact O-N 3.41Å; N441-S444 PolarHBondContact O-N 2.68Å; N441-S445 PolarHBondContact O-N 2.73Å
442	M	95.6	Very high	95.7	Very high	135 Å²	135	100.8 Å²	100.8	67%	0.665	51%	0.509	S	S	*	.	H	α-helix	trans	-62.2	-41.9	175.7	-72.2	-59.9	-63.6	0	0	112	E438 R439 S445 A446	E438-M442 WeakPolarHBondContact O-CG 3.23Å; E438-M442 PolarHBondContact O-N 3.19Å; R439-M442 PolarHBondContact O-N 3.11Å; M442-S445 PolarHBondContact O-N 3.29Å; M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.4Å
443	L	96.3	Very high	95.7	Very high	101 Å²	101	101.4 Å²	101.4	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-46.4	174.2	-79.7	165.9	0	0	0	111.5	R439 A440 N441 S445 A446 E447	R439-L443 WeakPolarHBondContact O-CG 3.27Å; R439-L443 PolarHBondContact O-N 2.9Å; A440-L443 PolarHBondContact O-N 3.17Å; N441-L443 VanDerWaalsContact C-N 3.35Å; N441-L443 PolarHBondContact O-N 3.41Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 2.87Å; L443-A446 CarbonylContact O-C 3.56Å; L443-A446 PolarHBondContact O-N 2.69Å; L443-A446 VanDerWaalsContact O-N 3.17Å; L443-E447 WeakPolarHBondContact O-CB 3.35Å; L443-E447 WeakPolarHBondContact O-CG 3.43Å; L443-E447 PolarHBondContact O-N 2.67Å
444	S	95.5	Very high	95.7	Very high	64 Å²	64	106.2 Å²	106.2	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-59.3	-40	176.8	-177.6	0	0	0	0	112.3	A440 N441 Q448	A440-S444 PolarHBondContact O-N 2.7Å; N441-S444 PolarHBondContact O-N 2.68Å; S444-Q448 PolarHBondContact O-N 2.81Å
445	S	95.4	Very high	95.6	Very high	61 Å²	61	103.1 Å²	103.1	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-44.9	175.1	-179.6	0	0	0	0	111.6	N441 M442 L443 E447 Q448 N449	N441-S445 PolarHBondContact O-N 2.73Å; M442-S445 PolarHBondContact O-N 3.29Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 2.87Å; S445-E447 VanDerWaalsContact C-N 3.32Å; S445-E447 PolarHBondContact O-N 3.46Å; S445-Q448 WeakPolarHBondContact O-CB 3.36Å; S445-Q448 PolarHBondContact O-N 2.74Å; S445-N449 VanDerWaalsContact O-CG 3.31Å; S445-N449 PolarHBondContact O-N 3.46Å; S445-N449 PolarHBondContact O-ND2 3.4Å
446	A	95.3	Very high	95.6	Very high	43 Å²	43	103.9 Å²	103.9	36%	0.355	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-37.1	175.8	0	0	0	0	0	112.6	M442 L443 N449 N450	M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.4Å; L443-A446 CarbonylContact O-C 3.56Å; L443-A446 PolarHBondContact O-N 2.69Å; L443-A446 VanDerWaalsContact O-N 3.17Å; A446-N449 PolarHBondContact O-N 2.91Å; A446-N450 WeakPolarHBondContact O-CB 3.29Å; A446-N450 PolarHBondContact O-N 3.2Å; A446-N450 PolarHBondContact O-ND2 3Å
447	E	96	Very high	95.5	Very high	113 Å²	113	102.4 Å²	102.4	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-40.4	174	-77.2	178.6	176.5	0	0	112.2	L443 S445 N450 R451	L443-E447 WeakPolarHBondContact O-CB 3.35Å; L443-E447 WeakPolarHBondContact O-CG 3.43Å; L443-E447 PolarHBondContact O-N 2.67Å; S445-E447 VanDerWaalsContact C-N 3.32Å; S445-E447 PolarHBondContact O-N 3.46Å; E447-N450 PolarHBondContact O-N 2.66Å; E447-R451 WeakPolarHBondContact O-CG 3.36Å; E447-R451 PolarHBondContact O-N 3.11Å
448	Q	95.3	Very high	95.4	Very high	74 Å²	74	99.9 Å²	99.9	35%	0.346	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-47.9	174.1	179.5	60.3	26	0	0	110.9	S444 S445 N450 R451 E452	S444-Q448 PolarHBondContact O-N 2.81Å; S445-Q448 WeakPolarHBondContact O-CB 3.36Å; S445-Q448 PolarHBondContact O-N 2.74Å; Q448-N450 VanDerWaalsContact C-N 3.31Å; Q448-N450 PolarHBondContact O-N 3.04Å; Q448-R451 WeakPolarHBondContact O-CB 3.31Å; Q448-R451 PolarHBondContact O-N 3.42Å; Q448-R451 VanDerWaalsContact O-N 3.11Å; Q448-R451 VanDerWaalsContact OE1-CZ 3.26Å; Q448-E452 PolarHBondContact NE2-OE1 2.85Å; Q448-E452 WeakPolarHBondContact O-CG 3.36Å; Q448-E452 PolarHBondContact O-N 2.76Å
449	N	95	Very high	95.4	Very high	80 Å²	80	97.8 Å²	97.8	43%	0.428	51%	0.512	S	S	.	.	H	α-helix	trans	-59	-42.1	175.4	-68.8	-24.1	0	0	0	111.8	S445 A446 E452 L453	S445-N449 VanDerWaalsContact O-CG 3.31Å; S445-N449 PolarHBondContact O-N 3.46Å; S445-N449 PolarHBondContact O-ND2 3.4Å; A446-N449 PolarHBondContact O-N 2.91Å; N449-E452 PolarHBondContact O-N 3.46Å; N449-L453 WeakPolarHBondContact O-CB 3.38Å; N449-L453 WeakPolarHBondContact O-CG 3.35Å; N449-L453 PolarHBondContact O-N 2.6Å
450	N	95.2	Very high	95.2	Very high	86 Å²	86	94.8 Å²	94.8	46%	0.46	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-40.6	175.1	-90.6	-75	0	0	0	112.4	A446 E447 Q448 L453 R454	A446-N450 WeakPolarHBondContact O-CB 3.29Å; A446-N450 PolarHBondContact O-N 3.2Å; A446-N450 PolarHBondContact O-ND2 3Å; E447-N450 PolarHBondContact O-N 2.66Å; Q448-N450 VanDerWaalsContact C-N 3.31Å; Q448-N450 PolarHBondContact O-N 3.04Å; N450-L453 PolarHBondContact O-N 3.15Å; N450-R454 WeakPolarHBondContact O-CB 3.38Å; N450-R454 VanDerWaalsContact O-CG 3.27Å; N450-R454 WeakPolarHBondContact O-CG 3.42Å; N450-R454 PolarHBondContact O-N 3.3Å
451	R	95.6	Very high	95.2	Very high	143 Å²	143	96.9 Å²	96.9	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-45	174.9	-82.4	-176.7	-86.1	156.7	-8.7	111.4	E447 Q448 R454 A455	E447-R451 WeakPolarHBondContact O-CG 3.36Å; E447-R451 PolarHBondContact O-N 3.11Å; Q448-R451 WeakPolarHBondContact O-CB 3.31Å; Q448-R451 PolarHBondContact O-N 3.42Å; Q448-R451 VanDerWaalsContact O-N 3.11Å; Q448-R451 VanDerWaalsContact OE1-CZ 3.26Å; R451-R454 PolarHBondContact O-N 2.53Å; R451-A455 WeakPolarHBondContact O-CB 3.47Å; R451-A455 PolarHBondContact O-N 2.92Å
452	E	95.5	Very high	95.1	Very high	86 Å²	86	93 Å²	93	40%	0.402	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-42.9	177.3	-71.4	175.1	-161.1	0	0	112.4	Q448 N449 A455 K456	Q448-E452 PolarHBondContact NE2-OE1 2.85Å; Q448-E452 WeakPolarHBondContact O-CG 3.36Å; Q448-E452 PolarHBondContact O-N 2.76Å; N449-E452 PolarHBondContact O-N 3.46Å; E452-A455 PolarHBondContact O-N 2.74Å; E452-K456 WeakPolarHBondContact O-CG 3.45Å; E452-K456 PolarHBondContact O-N 2.67Å
453	L	95.8	Very high	95	Very high	98 Å²	98	90.7 Å²	90.7	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-43.8	175	-74.4	171.1	0	0	0	111.5	N449 N450 A455 K456 C457	N449-L453 WeakPolarHBondContact O-CB 3.38Å; N449-L453 WeakPolarHBondContact O-CG 3.35Å; N449-L453 PolarHBondContact O-N 2.6Å; N450-L453 PolarHBondContact O-N 3.15Å; L453-A455 VanDerWaalsContact C-N 3.34Å; L453-A455 PolarHBondContact O-N 2.76Å; L453-K456 PolarHBondContact O-N 2.75Å; L453-C457 PolarHBondContact O-N 2.91Å; L453-C457 PolarHBondContact O-SG 3.35Å; L453-C457 VanDerWaalsContact O-SG 3.33Å
454	R	95.8	Very high	94.8	Very high	189 Å²	189	90.1 Å²	90.1	71%	0.713	49%	0.486	S	S	*	.	H	α-helix	trans	-61.4	-41.8	175.3	-75.1	177.3	-177.6	-160.2	1.7	112	N450 R451 C457 S458	N450-R454 WeakPolarHBondContact O-CB 3.38Å; N450-R454 VanDerWaalsContact O-CG 3.27Å; N450-R454 WeakPolarHBondContact O-CG 3.42Å; N450-R454 PolarHBondContact O-N 3.3Å; R451-R454 PolarHBondContact O-N 2.53Å; R454-C457 PolarHBondContact O-N 3.23Å; R454-S458 WeakPolarHBondContact O-CB 3.33Å; R454-S458 PolarHBondContact O-N 3.5Å
455	A	94.6	Very high	94.6	Very high	56 Å²	56	89.1 Å²	89.1	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-46.5	175.2	0	0	0	0	0	111.3	R451 E452 L453 C457 S458 T459	R451-A455 WeakPolarHBondContact O-CB 3.47Å; R451-A455 PolarHBondContact O-N 2.92Å; E452-A455 PolarHBondContact O-N 2.74Å; L453-A455 VanDerWaalsContact C-N 3.34Å; L453-A455 PolarHBondContact O-N 2.76Å; A455-C457 PolarHBondContact O-N 3.46Å; A455-S458 WeakPolarHBondContact O-CB 3.31Å; A455-S458 PolarHBondContact O-N 3.5Å; A455-T459 PolarHBondContact O-N 3.24Å; A455-T459 PolarHBondContact O-OG1 3.36Å; A455-T459 VanDerWaalsContact O-OG1 3.11Å
456	K	95.2	Very high	94.4	Very high	129 Å²	129	92.8 Å²	92.8	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-58.7	-47.1	175.1	-72.7	174.6	-175.6	174.6	0	112	E452 L453 S458 T459 M460	E452-K456 WeakPolarHBondContact O-CG 3.45Å; E452-K456 PolarHBondContact O-N 2.67Å; L453-K456 PolarHBondContact O-N 2.75Å; K456-S458 VanDerWaalsContact C-N 3.31Å; K456-S458 PolarHBondContact O-N 2.73Å; K456-T459 PolarHBondContact O-N 2.96Å; K456-M460 WeakPolarHBondContact O-CG 3.39Å; K456-M460 PolarHBondContact O-N 2.59Å
457	C	94.2	Very high	94.1	Very high	77 Å²	77	98 Å²	98	52%	0.52	50%	0.503	S	S	.	.	H	α-helix	trans	-59.1	-42.6	175.4	-70.2	0	0	0	0	111.5	L453 R454 A455 T459 M460 V461	L453-C457 PolarHBondContact O-N 2.91Å; L453-C457 PolarHBondContact O-SG 3.35Å; L453-C457 VanDerWaalsContact O-SG 3.33Å; R454-C457 PolarHBondContact O-N 3.23Å; A455-C457 PolarHBondContact O-N 3.46Å; C457-T459 PolarHBondContact O-N 3.43Å; C457-M460 PolarHBondContact O-N 2.88Å; C457-V461 VanDerWaalsContact O-CG2 3.27Å; C457-V461 WeakPolarHBondContact O-CG2 3.3Å; C457-V461 PolarHBondContact O-N 3.45Å
458	S	94.6	Very high	93.9	Very high	86 Å²	86	98.5 Å²	98.5	60%	0.601	51%	0.506	S	S	*	.	H	α-helix	trans	-61.3	-42.7	176.4	-170.8	0	0	0	0	112.2	R454 A455 K456 V461 G462	R454-S458 WeakPolarHBondContact O-CB 3.33Å; R454-S458 PolarHBondContact O-N 3.5Å; A455-S458 WeakPolarHBondContact O-CB 3.31Å; A455-S458 PolarHBondContact O-N 3.5Å; K456-S458 VanDerWaalsContact C-N 3.31Å; K456-S458 PolarHBondContact O-N 2.73Å; S458-V461 PolarHBondContact O-N 3.45Å; S458-G462 PolarHBondContact O-N 2.84Å
459	T	95	Very high	93.6	Very high	85 Å²	85	101.5 Å²	101.5	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-44.5	175.9	-54.4	0	0	0	0	111.3	A455 K456 C457 V461 G462 Q463	A455-T459 PolarHBondContact O-N 3.24Å; A455-T459 PolarHBondContact O-OG1 3.36Å; A455-T459 VanDerWaalsContact O-OG1 3.11Å; K456-T459 PolarHBondContact O-N 2.96Å; C457-T459 PolarHBondContact O-N 3.43Å; T459-V461 PolarHBondContact O-N 3.24Å; T459-G462 PolarHBondContact O-N 2.76Å; T459-Q463 WeakPolarHBondContact O-CG 3.34Å; T459-Q463 PolarHBondContact O-N 3.37Å
460	M	92.9	Very high	93.2	Very high	113 Å²	113	99.9 Å²	99.9	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-63.1	-41	177.5	-71.1	-178.2	70.5	0	0	112	K456 C457 G462 Q463 I464	K456-M460 WeakPolarHBondContact O-CG 3.39Å; K456-M460 PolarHBondContact O-N 2.59Å; C457-M460 PolarHBondContact O-N 2.88Å; M460-G462 VanDerWaalsContact C-N 3.31Å; M460-G462 PolarHBondContact O-N 2.84Å; M460-Q463 PolarHBondContact O-N 2.79Å; M460-I464 VanDerWaalsContact O-CG1 3.28Å; M460-I464 WeakPolarHBondContact O-CG1 3.27Å; M460-I464 PolarHBondContact O-N 3.35Å
461	V	94.7	Very high	92.8	Very high	99 Å²	99	101.8 Å²	101.8	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-60.2	-43.1	173.7	169.1	0	0	0	0	110.7	C457 S458 T459 I464 A465	C457-V461 VanDerWaalsContact O-CG2 3.27Å; C457-V461 WeakPolarHBondContact O-CG2 3.3Å; C457-V461 PolarHBondContact O-N 3.45Å; S458-V461 PolarHBondContact O-N 3.45Å; T459-V461 PolarHBondContact O-N 3.24Å; V461-I464 PolarHBondContact O-N 2.77Å; V461-A465 PolarHBondContact O-N 3.32Å; V461-A465 VanDerWaalsContact O-N 3.09Å
462	G	92.9	Very high	92.2	Very high	35 Å²	35	101.6 Å²	101.6	36%	0.361	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-46	174.3	0	0	0	0	0	112.9	S458 T459 M460 I464 A465 E466	S458-G462 PolarHBondContact O-N 2.84Å; T459-G462 PolarHBondContact O-N 2.76Å; M460-G462 VanDerWaalsContact C-N 3.31Å; M460-G462 PolarHBondContact O-N 2.84Å; G462-I464 PolarHBondContact O-N 2.89Å; G462-A465 WeakPolarHBondContact O-CB 3.45Å; G462-A465 PolarHBondContact O-N 3.37Å; G462-E466 PolarHBondContact O-N 2.85Å
463	Q	93.8	Very high	91.7	Very high	87 Å²	87	103.9 Å²	103.9	41%	0.407	54%	0.541	S	S	.	.	H	α-helix	trans	-61.5	-41.5	176.9	-73.4	177.5	-26	0	0	112.3	T459 M460 A465 E466 Y467	T459-Q463 WeakPolarHBondContact O-CG 3.34Å; T459-Q463 PolarHBondContact O-N 3.37Å; M460-Q463 PolarHBondContact O-N 2.79Å; Q463-A465 VanDerWaalsContact C-N 3.32Å; Q463-A465 PolarHBondContact O-N 2.85Å; Q463-E466 PolarHBondContact O-N 3.41Å; Q463-Y467 HydrophobicContact CB-CD2 4.48Å; Q463-Y467 HydrophobicContact CB-CE2 4.13Å; Q463-Y467 WeakPolarHBondContact O-CD2 3.33Å; Q463-Y467 PolarHBondContact O-N 2.86Å
464	I	92	Very high	91.1	Very high	89 Å²	89	103.6 Å²	103.6	46%	0.456	54%	0.543	S	S	.	.	H	α-helix	trans	-59.8	-45.5	175.4	-69.6	164.5	0	0	0	110.2	M460 V461 G462 E466 Y467 E468	M460-I464 VanDerWaalsContact O-CG1 3.28Å; M460-I464 WeakPolarHBondContact O-CG1 3.27Å; M460-I464 PolarHBondContact O-N 3.35Å; V461-I464 PolarHBondContact O-N 2.77Å; G462-I464 PolarHBondContact O-N 2.89Å; I464-E466 VanDerWaalsContact C-N 3.31Å; I464-E466 PolarHBondContact O-N 2.74Å; I464-Y467 PolarHBondContact O-N 3.4Å; I464-E468 HydrophobicContact CG2-CG 4.42Å; I464-E468 WeakPolarHBondContact O-CG 3.36Å; I464-E468 PolarHBondContact O-N 2.87Å
465	A	91.5	Very high	90.3	Very high	43 Å²	43	96.5 Å²	96.5	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-34.6	177.4	0	0	0	0	0	113	V461 G462 Q463 K469	V461-A465 PolarHBondContact O-N 3.32Å; V461-A465 VanDerWaalsContact O-N 3.09Å; G462-A465 WeakPolarHBondContact O-CB 3.45Å; G462-A465 PolarHBondContact O-N 3.37Å; Q463-A465 VanDerWaalsContact C-N 3.32Å; Q463-A465 PolarHBondContact O-N 2.85Å; A465-K469 WeakPolarHBondContact O-CG 3.38Å; A465-K469 PolarHBondContact O-N 3.23Å; A465-K469 VanDerWaalsContact O-N 3.12Å
466	E	91.4	Very high	89.6	Confident	137 Å²	137	97.1 Å²	97.1	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-68.5	-43.3	172.5	-71.4	-177.4	169.1	0	0	112	G462 Q463 I464 E468 K469 A470	G462-E466 PolarHBondContact O-N 2.85Å; Q463-E466 PolarHBondContact O-N 3.41Å; I464-E466 VanDerWaalsContact C-N 3.31Å; I464-E466 PolarHBondContact O-N 2.74Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 2.78Å; E466-K469 PolarHBondContact O-N 2.82Å; E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 3.23Å
467	Y	89	Confident	88.6	Confident	152 Å²	152	96.9 Å²	96.9	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-62	-39.4	174.9	-68.7	-48.2	0	0	0	111.9	Q463 I464 A470 L471	Q463-Y467 HydrophobicContact CB-CD2 4.48Å; Q463-Y467 HydrophobicContact CB-CE2 4.13Å; Q463-Y467 WeakPolarHBondContact O-CD2 3.33Å; Q463-Y467 PolarHBondContact O-N 2.86Å; I464-Y467 PolarHBondContact O-N 3.4Å; Y467-A470 PolarHBondContact O-N 2.91Å; Y467-L471 WeakPolarHBondContact O-CB 3.44Å; Y467-L471 WeakPolarHBondContact O-CD1 3.45Å; Y467-L471 WeakPolarHBondContact O-CG 3.44Å; Y467-L471 PolarHBondContact O-N 2.84Å
468	E	91.5	Very high	87.7	Confident	124 Å²	124	99.4 Å²	99.4	58%	0.579	54%	0.535	S	S	*	.	H	α-helix	trans	-61.2	-47	174.5	-75.6	175	167.9	0	0	111.5	I464 E466 L471 E472	I464-E468 HydrophobicContact CG2-CG 4.42Å; I464-E468 WeakPolarHBondContact O-CG 3.36Å; I464-E468 PolarHBondContact O-N 2.87Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 2.78Å; E468-L471 PolarHBondContact O-N 2.99Å; E468-E472 PolarHBondContact O-N 3.5Å
469	K	88.7	Confident	86.6	Confident	138 Å²	138	98.5 Å²	98.5	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-61.2	-45.1	175.1	-75	178.9	-177.5	178.2	0	112.4	A465 E466 L471 E472 E473	A465-K469 WeakPolarHBondContact O-CG 3.38Å; A465-K469 PolarHBondContact O-N 3.23Å; A465-K469 VanDerWaalsContact O-N 3.12Å; E466-K469 PolarHBondContact O-N 2.82Å; K469-L471 VanDerWaalsContact C-N 3.3Å; K469-L471 PolarHBondContact O-N 3.44Å; K469-E472 WeakPolarHBondContact O-CB 3.44Å; K469-E472 PolarHBondContact O-N 3.15Å; K469-E472 VanDerWaalsContact O-N 3.16Å; K469-E473 WeakPolarHBondContact O-CG 3.36Å; K469-E473 PolarHBondContact O-N 3.48Å
470	A	86.9	Confident	85.5	Confident	45 Å²	45	100 Å²	100	37%	0.372	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-39.7	178.4	0	0	0	0	0	111.6	E466 Y467 E473 V474	E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 3.23Å; Y467-A470 PolarHBondContact O-N 2.91Å; A470-E473 PolarHBondContact O-N 3.23Å; A470-V474 VanDerWaalsContact O-CG2 3.29Å; A470-V474 WeakPolarHBondContact O-CG2 3.35Å; A470-V474 PolarHBondContact O-N 2.85Å
471	L	86.7	Confident	84	Confident	127 Å²	127	97.8 Å²	97.8	67%	0.665	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-40.1	173.8	-80.5	162.6	0	0	0	112	Y467 E468 K469 V474 G475	Y467-L471 WeakPolarHBondContact O-CB 3.44Å; Y467-L471 WeakPolarHBondContact O-CD1 3.45Å; Y467-L471 WeakPolarHBondContact O-CG 3.44Å; Y467-L471 PolarHBondContact O-N 2.84Å; E468-L471 PolarHBondContact O-N 2.99Å; K469-L471 VanDerWaalsContact C-N 3.3Å; K469-L471 PolarHBondContact O-N 3.44Å; L471-V474 PolarHBondContact O-N 3.48Å; L471-G475 PolarHBondContact O-N 2.93Å
472	E	84.4	Confident	82.3	Confident	139 Å²	139	100.4 Å²	100.4	65%	0.65	53%	0.528	S	S	*	.	H	α-helix	trans	-64.2	-45.5	176	-166.7	173	-164.8	0	0	111.5	E468 K469 V474 G475 V476	E468-E472 PolarHBondContact O-N 3.5Å; K469-E472 WeakPolarHBondContact O-CB 3.44Å; K469-E472 PolarHBondContact O-N 3.15Å; K469-E472 VanDerWaalsContact O-N 3.16Å; E472-V474 PolarHBondContact O-N 2.94Å; E472-G475 WeakPolarHBondContact O-CA 3.47Å; E472-G475 PolarHBondContact O-N 2.89Å; E472-G475 VanDerWaalsContact O-N 3.12Å; E472-V476 WeakPolarHBondContact O-CG2 3.48Å; E472-V476 PolarHBondContact O-N 3.47Å
473	E	84.8	Confident	80.5	Confident	133 Å²	133	104.2 Å²	104.2	62%	0.621	54%	0.54	S	S	*	.	H	α-helix	trans	-59.1	-44.2	175.3	-74	178.4	-176.6	0	0	112.3	K469 A470 G475 V476 H477	K469-E473 WeakPolarHBondContact O-CG 3.36Å; K469-E473 PolarHBondContact O-N 3.48Å; A470-E473 PolarHBondContact O-N 3.23Å; E473-G475 VanDerWaalsContact C-N 3.33Å; E473-G475 PolarHBondContact O-N 3.4Å; E473-V476 PolarHBondContact O-N 3Å; E473-H477 PolarHBondContact O-N 2.93Å
474	V	81.8	Confident	78.6	Confident	92 Å²	92	107.9 Å²	107.9	56%	0.558	56%	0.555	S	S	*	*	H	α-helix	trans	-63.4	-40.9	174.8	172.7	0	0	0	0	110.6	A470 L471 E472 V476 H477 L478	A470-V474 VanDerWaalsContact O-CG2 3.29Å; A470-V474 WeakPolarHBondContact O-CG2 3.35Å; A470-V474 PolarHBondContact O-N 2.85Å; L471-V474 PolarHBondContact O-N 3.48Å; E472-V474 PolarHBondContact O-N 2.94Å; V474-V476 PolarHBondContact O-N 3.3Å; V474-H477 PolarHBondContact O-N 2.93Å; V474-L478 WeakPolarHBondContact O-CB 3.4Å; V474-L478 PolarHBondContact O-N 3.32Å
475	G	79.9	Confident	76.9	Confident	40 Å²	40	108.4 Å²	108.4	41%	0.412	56%	0.562	S	S	.	*	H	α-helix	trans	-58.9	-44.6	174.8	0	0	0	0	0	112.7	L471 E472 E473 L478 S479	L471-G475 PolarHBondContact O-N 2.93Å; E472-G475 WeakPolarHBondContact O-CA 3.47Å; E472-G475 PolarHBondContact O-N 2.89Å; E472-G475 VanDerWaalsContact O-N 3.12Å; E473-G475 VanDerWaalsContact C-N 3.33Å; E473-G475 PolarHBondContact O-N 3.4Å; G475-L478 PolarHBondContact O-N 3.49Å; G475-S479 PolarHBondContact O-N 3.46Å; G475-S479 VanDerWaalsContact O-N 3.07Å; G475-S479 PolarHBondContact O-OG 3.37Å
476	V	79.1	Confident	75.2	Confident	69 Å²	69	112.2 Å²	112.2	42%	0.418	57%	0.572	S	S	.	*	H	α-helix	trans	-63.1	-47.7	175.5	174.4	0	0	0	0	110.7	E472 E473 V474 L478 S479 Q480	E472-V476 WeakPolarHBondContact O-CG2 3.48Å; E472-V476 PolarHBondContact O-N 3.47Å; E473-V476 PolarHBondContact O-N 3Å; V474-V476 PolarHBondContact O-N 3.3Å; V476-L478 VanDerWaalsContact C-N 3.3Å; V476-L478 PolarHBondContact O-N 2.87Å; V476-S479 PolarHBondContact O-N 2.88Å; V476-S479 PolarHBondContact O-OG 3.38Å; V476-Q480 HydrophobicContact CG1-CG 4.46Å; V476-Q480 WeakPolarHBondContact O-CG 3.47Å; V476-Q480 PolarHBondContact O-N 3.34Å
477	H	75.1	Confident	73.3	Confident	124 Å²	124	111.7 Å²	111.7	57%	0.574	57%	0.574	S	S	*	*	H	α-helix	trans	-60.2	-38.7	177.8	-98.7	-77.2	0	0	0	113.2	E473 V474 S481	E473-H477 PolarHBondContact O-N 2.93Å; V474-H477 PolarHBondContact O-N 2.93Å; H477-S481 WeakPolarHBondContact O-CB 3.37Å; H477-S481 PolarHBondContact O-N 3.33Å; H477-S481 PolarHBondContact O-OG 3.42Å
478	L	74.2	Confident	71.6	Confident	130 Å²	130	111 Å²	111	68%	0.681	58%	0.579	S	S	*	*	H	α-helix	trans	-66.7	-41.2	178.3	-141.8	77.8	0	0	0	111.3	V474 G475 V476 S481 K482	V474-L478 WeakPolarHBondContact O-CB 3.4Å; V474-L478 PolarHBondContact O-N 3.32Å; G475-L478 PolarHBondContact O-N 3.49Å; V476-L478 VanDerWaalsContact C-N 3.3Å; V476-L478 PolarHBondContact O-N 2.87Å; L478-S481 PolarHBondContact O-N 2.91Å; L478-K482 WeakPolarHBondContact O-CB 3.38Å; L478-K482 PolarHBondContact O-N 3.43Å; L478-K482 VanDerWaalsContact O-N 3.1Å
479	S	72.7	Confident	69.5	Low	68 Å²	68	113.3 Å²	113.3	48%	0.476	59%	0.588	S	S	.	*	H	α-helix	trans	-65.7	-43.1	177.3	67.2	0	0	0	0	112.7	G475 V476 S481 K482 L483	G475-S479 PolarHBondContact O-N 3.46Å; G475-S479 VanDerWaalsContact O-N 3.07Å; G475-S479 PolarHBondContact O-OG 3.37Å; V476-S479 PolarHBondContact O-N 2.88Å; V476-S479 PolarHBondContact O-OG 3.38Å; S479-S481 PolarHBondContact O-N 3.49Å; S479-K482 PolarHBondContact O-N 2.95Å; S479-L483 PolarHBondContact O-N 3.49Å
480	Q	71.5	Confident	67.4	Low	116 Å²	116	115.3 Å²	115.3	54%	0.542	60%	0.599	S	S	.	*	H	α-helix	trans	-65.6	-38.7	176.9	-70.5	180	0.9	0	0	112.6	V476 K484	V476-Q480 HydrophobicContact CG1-CG 4.46Å; V476-Q480 WeakPolarHBondContact O-CG 3.47Å; V476-Q480 PolarHBondContact O-N 3.34Å; Q480-K484 PolarHBondContact O-N 2.91Å
481	S	61.8	Low	65.6	Low	67 Å²	67	116.2 Å²	116.2	47%	0.469	61%	0.613	S	S	.	*	H	α-helix	trans	-70.1	-33.8	-180	-57	0	0	0	0	112.1	H477 L478 S479 V485	H477-S481 WeakPolarHBondContact O-CB 3.37Å; H477-S481 PolarHBondContact O-N 3.33Å; H477-S481 PolarHBondContact O-OG 3.42Å; L478-S481 PolarHBondContact O-N 2.91Å; S479-S481 PolarHBondContact O-N 3.49Å; S481-V485 WeakPolarHBondContact O-CG2 3.41Å
482	K	59.3	Low	63.6	Low	153 Å²	153	117.7 Å²	117.7	67%	0.665	62%	0.621	S	S	*	*	H	α-helix	trans	-66.7	-39.1	177.1	-163.8	175.3	-179.4	-177.4	0	112.2	L478 S479 V485	L478-K482 WeakPolarHBondContact O-CB 3.38Å; L478-K482 PolarHBondContact O-N 3.43Å; L478-K482 VanDerWaalsContact O-N 3.1Å; S479-K482 PolarHBondContact O-N 2.95Å; K482-V485 PolarHBondContact O-N 3.46Å
483	L	53.6	Low	61.7	Low	116 Å²	116	118 Å²	118	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-62.1	-43.8	177.6	-122.7	86.3	0	0	0	112.5	S479 V485 E486 D487	S479-L483 PolarHBondContact O-N 3.49Å; L483-V485 PolarHBondContact O-N 2.96Å; L483-E486 PolarHBondContact O-N 3.26Å; L483-D487 PolarHBondContact O-N 2.87Å
484	K	55.4	Low	59.8	Low	163 Å²	163	116.4 Å²	116.4	71%	0.709	63%	0.628	S	S	*	*	H	α-helix	trans	-64.1	-24.9	179.4	-90.8	176.2	176.3	171.3	0	114.1	Q480	Q480-K484 PolarHBondContact O-N 2.91Å
485	V	56.3	Low	58.1	Low	100 Å²	100	121.4 Å²	121.4	61%	0.606	64%	0.642	S	S	*	*	H	α-helix	trans	-78.4	-30.4	178.2	175	0	0	0	0	111.5	S481 K482 L483	S481-V485 WeakPolarHBondContact O-CG2 3.41Å; K482-V485 PolarHBondContact O-N 3.46Å; L483-V485 PolarHBondContact O-N 2.96Å
486	E	54.2	Low	56.5	Low	123 Å²	123	125.2 Å²	125.2	58%	0.575	66%	0.657	S	S	*	*	H	α-helix	trans	-71	-42.1	177.1	-79.7	176.1	162.4	0	0	111.8	L483 L488 K489	L483-E486 PolarHBondContact O-N 3.26Å; E486-L488 VanDerWaalsContact C-N 3.26Å; E486-L488 PolarHBondContact O-N 3.16Å; E486-K489 PolarHBondContact O-N 2.98Å; E486-K489 VanDerWaalsContact O-N 3.1Å
487	D	52.9	Low	55.1	Low	127 Å²	127	129.5 Å²	129.5	68%	0.679	68%	0.678	S	S	*	*	H	α-helix	trans	-62.9	-28.7	179	-70.6	-22.4	0	0	0	113.8	L483	L483-D487 PolarHBondContact O-N 2.87Å
488	L	52	Low	54.4	Low	136 Å²	136	126.2 Å²	126.2	71%	0.712	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-17.3	178.5	-81	162.2	0	0	0	113.3	E486	E486-L488 VanDerWaalsContact C-N 3.26Å; E486-L488 PolarHBondContact O-N 3.16Å
489	K	47.3	Very low	54.4	Low	174 Å²	174	130 Å²	130	76%	0.757	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-84.6	-20.6	-172.6	-155.5	174.1	-178.2	-177.9	0	113.6	E486 G491	E486-K489 PolarHBondContact O-N 2.98Å; E486-K489 VanDerWaalsContact O-N 3.1Å; K489-G491 VanDerWaalsContact C-N 3.31Å; K489-G491 PolarHBondContact O-N 3.37Å
490	E	46.5	Very low	54.8	Low	179 Å²	179	133.9 Å²	133.9	84%	0.836	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-79.9	-8.6	178.5	-65.6	-164.6	155.2	0	0	114
491	G	48.6	Very low	55.4	Low	65 Å²	65	129.6 Å²	129.6	67%	0.67	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-89.6	-5.9	-175.2	0	0	0	0	0	117.8	K489	K489-G491 VanDerWaalsContact C-N 3.31Å; K489-G491 PolarHBondContact O-N 3.37Å
492	L	43.6	Very low	56.5	Low	157 Å²	157	130.4 Å²	130.4	82%	0.822	66%	0.663	S	S	*	*			trans	-137.4	45.5	-167.7	-86.6	108.9	0	0	0	115.9
493	L	44.4	Very low	57.8	Low	146 Å²	146	126.6 Å²	126.6	76%	0.764	65%	0.649	S	S	*	*			trans	-91.6	149.1	169.8	-80.5	175.1	0	0	0	112.8
494	P	45.3	Very low	59.2	Low	100 Å²	100	129.6 Å²	129.6	65%	0.649	66%	0.658	S	S	*	*				-92.9	144.5	-118.4	-10.5	28.5	0	0	0	114.2	V496	P494-V496 PolarHBondContact O-N 3.01Å
495	F	46.9	Very low	60.6	Low	197 Å²	197	128 Å²	128	86%	0.864	66%	0.656	S	S	*	*			trans	-55	106.6	160.7	-120.9	-100.7	0	0	0	107.7	D497	F495-D497 PolarHBondContact O-N 3.47Å; F495-D497 VanDerWaalsContact O-N 3.12Å
496	V	46.3	Very low	62	Low	119 Å²	119	123.8 Å²	123.8	72%	0.721	63%	0.631	S	S	*	*			trans	-59.9	117.8	175	-178.2	0	0	0	0	106.9	P494 A498	P494-V496 PolarHBondContact O-N 3.01Å; V496-A498 VanDerWaalsContact C-N 3.26Å; V496-A498 PolarHBondContact O-N 2.7Å
497	D	49.5	Very low	63.6	Low	160 Å²	160	122.4 Å²	122.4	86%	0.856	63%	0.631	S	S	*	*			trans	-55.9	91.9	171.4	-106.2	-25.4	0	0	0	108.5	F495 R499	F495-D497 PolarHBondContact O-N 3.47Å; F495-D497 VanDerWaalsContact O-N 3.12Å; D497-R499 VanDerWaalsContact C-N 3.31Å; D497-R499 PolarHBondContact O-N 2.91Å
498	A	60.9	Low	65.6	Low	55 Å²	55	118.3 Å²	118.3	46%	0.455	61%	0.609	S	S	.	*			trans	-74.1	84.7	-176	0	0	0	0	0	109.2	V496 W500 H527	V496-A498 VanDerWaalsContact C-N 3.26Å; V496-A498 PolarHBondContact O-N 2.7Å; A498-W500 PolarHBondContact O-N 3.4Å; A498-H527 VanDerWaalsContact CB-O 3.29Å; A498-H527 WeakPolarHBondContact CB-O 3.41Å
499	R	73.2	Confident	67.5	Low	209 Å²	209	111.8 Å²	111.8	79%	0.789	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-70.4	125.4	170.5	68.7	177.5	-174	-107.1	0.9	109.9	D497 T501	D497-R499 VanDerWaalsContact C-N 3.31Å; D497-R499 PolarHBondContact O-N 2.91Å; R499-T501 PolarHBondContact O-N 3.39Å
500	W	82.2	Confident	69.6	Low	149 Å²	149	107.5 Å²	107.5	56%	0.564	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-71.6	119.3	174.2	-163.4	-90.7	0	0	0	109.2	A498 H524 R526	A498-W500 PolarHBondContact O-N 3.4Å; W500-H524 AromaticContact CD1-CD2 3.93Å; W500-H524 AromaticContact CD1-NE2 3.86Å; W500-H524 AromaticContact CE2-CD2 3.4Å; W500-H524 AromaticContact CE2-CG 3.52Å; W500-H524 AromaticContact CE2-NE2 3.86Å; W500-H524 HydrophobicContact CH2-CB 3.45Å; W500-H524 VanDerWaalsContact CH2-CB 3.45Å; W500-H524 HydrophobicContact CZ2-CB 3.26Å; W500-H524 AromaticContact CZ2-CD2 3.69Å; W500-H524 AromaticContact CZ2-CG 3.27Å; W500-H524 AromaticContact CZ2-ND1 3.77Å; W500-H524 HydrophobicContact CZ3-CB 4.24Å; W500-H524 AromaticContact NE1-CD2 3.31Å; W500-H524 PolarHBondContact NE1-CD2 3.26Å; W500-H524 VanDerWaalsContact NE1-CD2 3.31Å; W500-H524 AromaticContact NE1-CE1 3.69Å; W500-H524 AromaticContact NE1-CG 3.72Å; W500-H524 AromaticContact NE1-ND1 3.97Å; W500-H524 AromaticContact NE1-NE2 3.28Å; W500-H524 PolarHBondContact NE1-NE2 2.97Å; W500-R526 HydrophobicContact CH2-CG 4.22Å; W500-R526 HydrophobicContact CZ3-CG 4.46Å
501	T	83.7	Confident	71.7	Confident	26 Å²	26	101.3 Å²	101.3	16%	0.16	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-82.6	131.9	-175.4	-50	0	0	0	0	109.5	R499 V506 H524 G529 I531	R499-T501 PolarHBondContact O-N 3.39Å; T501-V506 HydrophobicContact CG2-CG2 3.4Å; T501-V506 VanDerWaalsContact CG2-CG2 3.4Å; T501-H524 PolarHBondContact O-CD2 2.81Å; T501-H524 PolarHBondContact O-NE2 2.81Å; T501-G529 PolarHBondContact N-O 3.02Å; T501-G529 PolarHBondContact OG1-O 3.03Å; T501-I531 HydrophobicContact CG2-CD1 4.36Å
502	D	84.9	Confident	73.8	Confident	85 Å²	85	100.4 Å²	100.4	46%	0.455	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-69.1	140.5	177.8	-165.9	-52.2	0	0	0	110.1	K504 D505 I531	D502-K504 PolarHBondContact O-N 2.98Å; D502-K504 VanDerWaalsContact O-N 3.13Å; D502-K504 PolarHBondContact OD1-N 3.28Å; D502-D505 PolarHBondContact O-N 3.12Å; D502-D505 VanDerWaalsContact O-N 3.12Å; D502-I531 WeakPolarHBondContact O-CD1 3.2Å
503	D	86	Confident	76	Confident	72 Å²	72	99.4 Å²	99.4	39%	0.385	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27.8	177.4	-88.1	-8.6	0	0	0	112.6	D505 K522 H524 I531	D503-D505 VanDerWaalsContact C-N 3.33Å; D503-K522 HydrophobicContact CB-CD 4.34Å; D503-K522 PolarHBondContact O-NZ 3.5Å; D503-H524 IonicContact OD1-CE1 3.63Å; D503-H524 PolarHBondContact OD1-CE1 3.42Å; D503-H524 IonicContact OD1-ND1 3Å; D503-H524 IonicContact OD1-NE2 3.87Å; D503-I531 WeakPolarHBondContact OD1-CD1 3.49Å
504	K	83.1	Confident	78.2	Confident	180 Å²	180	97 Å²	97	78%	0.783	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-74.3	-24.2	-179.1	-65	176.6	-174.1	173.4	0	113.4	D502	D502-K504 PolarHBondContact O-N 2.98Å; D502-K504 VanDerWaalsContact O-N 3.13Å; D502-K504 PolarHBondContact OD1-N 3.28Å
505	D	85.1	Confident	80.3	Confident	128 Å²	128	99.8 Å²	99.8	68%	0.684	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-87.3	-7.7	-170.9	-62.9	-23.6	0	0	0	113.4	D502 D503	D502-D505 PolarHBondContact O-N 3.12Å; D502-D505 VanDerWaalsContact O-N 3.12Å; D503-D505 VanDerWaalsContact C-N 3.33Å
506	V	85.8	Confident	82.4	Confident	12 Å²	12	91.9 Å²	91.9	7%	0.073	47%	0.468	C	S	.	.			trans	-122.3	108.6	-172.9	-176.6	0	0	0	0	111	T501 D508 Q510 F516 K522 I531	T501-V506 HydrophobicContact CG2-CG2 3.4Å; T501-V506 VanDerWaalsContact CG2-CG2 3.4Å; V506-D508 WeakPolarHBondContact CG1-O 3.37Å; V506-Q510 HydrophobicContact CG1-CG 4.23Å; V506-F516 HydrophobicContact CG1-CE2 3.97Å; V506-K522 WeakPolarHBondContact O-CE 3.47Å; V506-K522 PolarHBondContact O-NZ 2.82Å; V506-I531 HydrophobicContact CB-CB 4.31Å; V506-I531 HydrophobicContact CB-CD1 4.01Å; V506-I531 HydrophobicContact CG1-CB 4.16Å; V506-I531 HydrophobicContact CG1-CG2 4.35Å; V506-I531 HydrophobicContact CG2-CB 4.34Å; V506-I531 HydrophobicContact CG2-CD1 3.85Å; V506-I531 HydrophobicContact CG2-CG1 4.47Å
507	T	88.4	Confident	84.4	Confident	95 Å²	95	89 Å²	89	58%	0.583	45%	0.453	S	S	*	.	S	Bend	trans	-85.8	-22.9	176.1	47.6	0	0	0	0	113.5	F516	T507-F516 WeakPolarHBondContact O-CD2 3.36Å; T507-F516 PolarHBondContact O-N 2.96Å
508	D	93.6	Very high	86	Confident	40 Å²	40	88.3 Å²	88.3	21%	0.214	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-129.2	143.8	-169.5	-58.7	-74.4	0	0	0	111	V506 Q510 K515 F516	V506-D508 WeakPolarHBondContact CG1-O 3.37Å; D508-Q510 PolarHBondContact O-N 3.27Å; D508-K515 WeakPolarHBondContact OD1-CA 3.34Å; D508-K515 WeakPolarHBondContact OD1-CG 3.23Å; D508-K515 PolarHBondContact OD1-N 2.86Å; D508-F516 WeakPolarHBondContact O-CE2 3.37Å
509	C	92.5	Very high	87.3	Confident	0 Å²	0	91.3 Å²	91.3	0%	0	47%	0.472	C	S	.	.			trans	-58.5	124.5	176.6	173.8	0	0	0	0	111.1	G511 C512 Q513 Q514 F516 C533	C509-G511 PolarHBondContact O-N 3.14Å; C509-G511 PolarHBondContact SG-N 3.04Å; C509-G511 VanDerWaalsContact SG-N 3.39Å; C509-C512 PolarHBondContact SG-N 2.9Å; C509-C512 VanDerWaalsContact SG-SG 3.61Å; C509-Q513 WeakPolarHBondContact O-CA 3.39Å; C509-Q513 PolarHBondContact O-N 3.41Å; C509-Q514 PolarHBondContact N-O 3.34Å; C509-F516 VanDerWaalsContact CA-CZ 3.49Å; C509-F516 HydrophobicContact CB-CE1 4.28Å; C509-F516 HydrophobicContact CB-CE2 4.35Å; C509-F516 HydrophobicContact CB-CZ 3.86Å; C509-C533 HydrophobicContact CB-CB 4.18Å; C509-C533 PolarHBondContact SG-N 3.27Å; C509-C533 VanDerWaalsContact SG-SG 3.64Å
510	Q	92	Very high	88.2	Confident	84 Å²	84	84.2 Å²	84.2	39%	0.393	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7	-179.6	-67	179.2	-38.4	0	0	114.2	V506 D508 G530 I531 F532	V506-Q510 HydrophobicContact CG1-CG 4.23Å; D508-Q510 PolarHBondContact O-N 3.27Å; Q510-G530 VanDerWaalsContact OE1-C 3.28Å; Q510-I531 WeakPolarHBondContact CB-O 3.27Å; Q510-I531 WeakPolarHBondContact CG-O 3.5Å; Q510-I531 PolarHBondContact N-O 3.3Å; Q510-F532 HydrophobicContact CB-CD1 4.24Å; Q510-F532 HydrophobicContact CB-CE1 3.77Å; Q510-F532 HydrophobicContact CB-CZ 4.04Å
511	G	89.8	Confident	88.5	Confident	48 Å²	48	86 Å²	86	50%	0.495	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-57.3	174.1	0	0	0	0	0	112.8	C509	C509-G511 PolarHBondContact O-N 3.14Å; C509-G511 PolarHBondContact SG-N 3.04Å; C509-G511 VanDerWaalsContact SG-N 3.39Å
512	C	92.7	Very high	88.9	Confident	46 Å²	46	87.9 Å²	87.9	31%	0.311	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-0.2	-175.2	68.1	0	0	0	0	115.1	C509 Q514 C536	C509-C512 PolarHBondContact SG-N 2.9Å; C509-C512 VanDerWaalsContact SG-SG 3.61Å; C512-Q514 PolarHBondContact O-N 2.79Å; C512-C536 VanDerWaalsContact CB-SG 3.55Å
513	Q	90.5	Very high	89.3	Confident	136 Å²	136	86.4 Å²	86.4	64%	0.636	45%	0.448	S	S	*	.			trans	57.3	18.3	-179.9	-58.5	-71.4	8.3	0	0	115.1	C509	C509-Q513 WeakPolarHBondContact O-CA 3.39Å; C509-Q513 PolarHBondContact O-N 3.41Å
514	Q	89.4	Confident	89.5	Confident	96 Å²	96	84.2 Å²	84.2	45%	0.449	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-81.2	134.7	173.1	-65.4	-174.7	31.7	0	0	110.9	C509 C512 F516	C509-Q514 PolarHBondContact N-O 3.34Å; C512-Q514 PolarHBondContact O-N 2.79Å; Q514-F516 PolarHBondContact O-N 3.18Å
515	K	89.6	Confident	90	Very high	158 Å²	158	75.6 Å²	75.6	69%	0.687	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-53.2	132.9	174.5	-79.5	-176.8	179.1	-175.3	0	112	D508	D508-K515 WeakPolarHBondContact OD1-CA 3.34Å; D508-K515 WeakPolarHBondContact OD1-CG 3.23Å; D508-K515 PolarHBondContact OD1-N 2.86Å
516	F	90.8	Very high	90.1	Very high	31 Å²	31	74.6 Å²	74.6	14%	0.136	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-69.7	142.9	169.4	-69.6	-68.1	0	0	0	110.5	V506 T507 D508 C509 Q514 R520 R521 K522 I531 C533	V506-F516 HydrophobicContact CG1-CE2 3.97Å; T507-F516 WeakPolarHBondContact O-CD2 3.36Å; T507-F516 PolarHBondContact O-N 2.96Å; D508-F516 WeakPolarHBondContact O-CE2 3.37Å; C509-F516 VanDerWaalsContact CA-CZ 3.49Å; C509-F516 HydrophobicContact CB-CE1 4.28Å; C509-F516 HydrophobicContact CB-CE2 4.35Å; C509-F516 HydrophobicContact CB-CZ 3.86Å; Q514-F516 PolarHBondContact O-N 3.18Å; F516-R520 WeakPolarHBondContact CA-O 3.34Å; F516-R520 HydrophobicContact CD1-CG 4.16Å; F516-R520 VanDerWaalsContact CD1-O 3.3Å; F516-R520 WeakPolarHBondContact CD1-O 3.27Å; F516-R521 WeakPolarHBondContact CE1-O 3.49Å; F516-K522 HydrophobicContact CB-CG 4.18Å; F516-K522 HydrophobicContact CD1-CG 3.71Å; F516-K522 HydrophobicContact CD2-CD 4.07Å; F516-K522 HydrophobicContact CD2-CG 3.59Å; F516-K522 HydrophobicContact CE1-CB 4.36Å; F516-K522 HydrophobicContact CE1-CG 3.91Å; F516-K522 HydrophobicContact CE2-CD 4.39Å; F516-K522 HydrophobicContact CE2-CG 3.78Å; F516-K522 HydrophobicContact CG-CD 4.34Å; F516-K522 HydrophobicContact CG-CG 3.55Å; F516-K522 HydrophobicContact CZ-CB 4.45Å; F516-K522 HydrophobicContact CZ-CG 3.94Å; F516-I531 HydrophobicContact CE2-CG2 3.74Å; F516-I531 HydrophobicContact CZ-CG2 3.67Å; F516-C533 HydrophobicContact CE1-CB 3.98Å
517	S	88.2	Confident	90.1	Very high	58 Å²	58	77.1 Å²	77.1	41%	0.406	40%	0.396	S	S	.	.			trans	-142.1	177.5	-178.2	73.4	0	0	0	0	109.8	S519 R520	S517-S519 PolarHBondContact O-N 3.04Å; S517-S519 PolarHBondContact OG-N 3.22Å; S517-S519 PolarHBondContact OG-OG 2.82Å; S517-S519 VanDerWaalsContact OG-OG 3.09Å; S517-R520 PolarHBondContact N-O 2.97Å; S517-R520 CarbonylContact O-C 3.45Å; S517-R520 PolarHBondContact O-N 3.2Å; S517-R520 PolarHBondContact OG-N 3.33Å
518	V	84.7	Confident	90	Very high	147 Å²	147	74.7 Å²	74.7	89%	0.891	38%	0.382	S	S	*	.	S	Bend	trans	-58.8	-33.9	175.9	-177.6	0	0	0	0	111.5
519	S	87.6	Confident	89.8	Confident	117 Å²	117	72.9 Å²	72.9	82%	0.818	37%	0.372	S	S	*	.	S	Bend	trans	-85.1	-28.3	175.7	58.3	0	0	0	0	113.8	S517	S517-S519 PolarHBondContact O-N 3.04Å; S517-S519 PolarHBondContact OG-N 3.22Å; S517-S519 PolarHBondContact OG-OG 2.82Å; S517-S519 VanDerWaalsContact OG-OG 3.09Å
520	R	91.2	Very high	89.7	Confident	61 Å²	61	73 Å²	73	23%	0.23	37%	0.374	C	S	.	.	S	Bend	trans	-106.3	93.7	176.3	-174.5	179.4	-69.5	-69.8	2.6	109.9	F516 S517 C533	F516-R520 WeakPolarHBondContact CA-O 3.34Å; F516-R520 HydrophobicContact CD1-CG 4.16Å; F516-R520 VanDerWaalsContact CD1-O 3.3Å; F516-R520 WeakPolarHBondContact CD1-O 3.27Å; S517-R520 PolarHBondContact N-O 2.97Å; S517-R520 CarbonylContact O-C 3.45Å; S517-R520 PolarHBondContact O-N 3.2Å; S517-R520 PolarHBondContact OG-N 3.33Å; R520-C533 HydrophobicContact CG-CB 3.9Å
521	R	90.1	Very high	89.8	Confident	186 Å²	186	69 Å²	69	70%	0.702	36%	0.356	S	S	*	.			trans	-85.5	159.2	-176.8	-61.1	-175.4	67.8	177.4	1	113.3	F516	F516-R521 WeakPolarHBondContact CE1-O 3.49Å
522	K	92	Very high	90.1	Very high	65 Å²	65	67.4 Å²	67.4	28%	0.283	34%	0.335	S	S	.	.			trans	-81.5	138.8	179.5	-65.3	-177.7	-164.7	-174.3	0	111.7	D503 V506 F516 I531	D503-K522 HydrophobicContact CB-CD 4.34Å; D503-K522 PolarHBondContact O-NZ 3.5Å; V506-K522 WeakPolarHBondContact O-CE 3.47Å; V506-K522 PolarHBondContact O-NZ 2.82Å; F516-K522 HydrophobicContact CB-CG 4.18Å; F516-K522 HydrophobicContact CD1-CG 3.71Å; F516-K522 HydrophobicContact CD2-CD 4.07Å; F516-K522 HydrophobicContact CD2-CG 3.59Å; F516-K522 HydrophobicContact CE1-CB 4.36Å; F516-K522 HydrophobicContact CE1-CG 3.91Å; F516-K522 HydrophobicContact CE2-CD 4.39Å; F516-K522 HydrophobicContact CE2-CG 3.78Å; F516-K522 HydrophobicContact CG-CD 4.34Å; F516-K522 HydrophobicContact CG-CG 3.55Å; F516-K522 HydrophobicContact CZ-CB 4.45Å; F516-K522 HydrophobicContact CZ-CG 3.94Å; K522-I531 HydrophobicContact CB-CG2 3.58Å; K522-I531 HydrophobicContact CD-CG2 4.14Å; K522-I531 HydrophobicContact CG-CG2 3.81Å
523	H	91.8	Very high	90.1	Very high	55 Å²	55	65.3 Å²	65.3	26%	0.255	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	127.5	175.9	-58.2	-72.5	0	0	0	111.9	F532 H534	H523-F532 WeakPolarHBondContact CA-O 3.42Å; H523-F532 WeakPolarHBondContact CB-O 3.4Å; H523-F532 PolarHBondContact N-O 3.42Å; H523-F532 PolarHBondContact O-N 2.91Å; H523-H534 PolarHBondContact CD2-N 3.35Å
524	H	91.6	Very high	90.1	Very high	25 Å²	25	62.4 Å²	62.4	12%	0.116	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	143.3	177.3	-63.7	81.4	0	0	0	114.4	W500 T501 D503 R526 G530 I531	W500-H524 AromaticContact CD1-CD2 3.93Å; W500-H524 AromaticContact CD1-NE2 3.86Å; W500-H524 AromaticContact CE2-CD2 3.4Å; W500-H524 AromaticContact CE2-CG 3.52Å; W500-H524 AromaticContact CE2-NE2 3.86Å; W500-H524 HydrophobicContact CH2-CB 3.45Å; W500-H524 VanDerWaalsContact CH2-CB 3.45Å; W500-H524 HydrophobicContact CZ2-CB 3.26Å; W500-H524 AromaticContact CZ2-CD2 3.69Å; W500-H524 AromaticContact CZ2-CG 3.27Å; W500-H524 AromaticContact CZ2-ND1 3.77Å; W500-H524 HydrophobicContact CZ3-CB 4.24Å; W500-H524 AromaticContact NE1-CD2 3.31Å; W500-H524 PolarHBondContact NE1-CD2 3.26Å; W500-H524 VanDerWaalsContact NE1-CD2 3.31Å; W500-H524 AromaticContact NE1-CE1 3.69Å; W500-H524 AromaticContact NE1-CG 3.72Å; W500-H524 AromaticContact NE1-ND1 3.97Å; W500-H524 AromaticContact NE1-NE2 3.28Å; W500-H524 PolarHBondContact NE1-NE2 2.97Å; T501-H524 PolarHBondContact O-CD2 2.81Å; T501-H524 PolarHBondContact O-NE2 2.81Å; D503-H524 IonicContact OD1-CE1 3.63Å; D503-H524 PolarHBondContact OD1-CE1 3.42Å; D503-H524 IonicContact OD1-ND1 3Å; D503-H524 IonicContact OD1-NE2 3.87Å; H524-R526 PolarHBondContact O-NH1 2.94Å; H524-G530 CarbonylContact C-O 3.57Å; H524-G530 WeakPolarHBondContact CA-O 3.37Å; H524-I531 WeakPolarHBondContact NE2-CG1 3.26Å
525	C	91.7	Very high	90.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.311	C	S	.	.			trans	-78.9	123.1	161	175.4	0	0	0	0	109.3	H527 C528 G529 G530 F532 C553 C556	C525-H527 PolarHBondContact O-N 3.44Å; C525-H527 PolarHBondContact SG-N 3.5Å; C525-H527 VanDerWaalsContact SG-N 3.42Å; C525-C528 VanDerWaalsContact CB-SG 3.55Å; C525-G529 VanDerWaalsContact O-CA 3.25Å; C525-G529 WeakPolarHBondContact O-CA 3.39Å; C525-G529 PolarHBondContact O-N 3.25Å; C525-G530 PolarHBondContact N-O 2.95Å; C525-F532 HydrophobicContact CB-CD2 3.91Å; C525-F532 HydrophobicContact CB-CE2 3.63Å; C525-C553 HydrophobicContact CB-CB 4.04Å; C525-C553 PolarHBondContact SG-N 2.78Å; C525-C553 VanDerWaalsContact SG-SG 3.67Å; C525-C556 VanDerWaalsContact SG-SG 3.62Å
526	R	89.1	Confident	90.4	Very high	106 Å²	106	56.4 Å²	56.4	40%	0.4	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.9	-179.7	-75.7	76.7	169	158.2	-4.2	113.6	W500 H524 L543 V550 R551	W500-R526 HydrophobicContact CH2-CG 4.22Å; W500-R526 HydrophobicContact CZ3-CG 4.46Å; H524-R526 PolarHBondContact O-NH1 2.94Å; R526-L543 VanDerWaalsContact C-CD1 3.42Å; R526-L543 HydrophobicContact CB-CD1 3.83Å; R526-L543 VanDerWaalsContact O-CD1 3.24Å; R526-L543 WeakPolarHBondContact O-CD1 3.46Å; R526-V550 HydrophobicContact CB-CB 3.87Å; R526-V550 HydrophobicContact CB-CG2 3.64Å; R526-V550 HydrophobicContact CG-CB 3.85Å; R526-V550 HydrophobicContact CG-CG1 4.38Å; R526-V550 HydrophobicContact CG-CG2 4.18Å; R526-R551 WeakPolarHBondContact CD-O 3.49Å; R526-R551 PolarHBondContact N-O 2.96Å
527	H	84.1	Confident	90.5	Very high	66 Å²	66	54.9 Å²	54.9	31%	0.306	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-52.5	175.6	-172.8	44.2	0	0	0	112.8	A498 C525 L543 V552 C556 L560	A498-H527 VanDerWaalsContact CB-O 3.29Å; A498-H527 WeakPolarHBondContact CB-O 3.41Å; C525-H527 PolarHBondContact O-N 3.44Å; C525-H527 PolarHBondContact SG-N 3.5Å; C525-H527 VanDerWaalsContact SG-N 3.42Å; H527-L543 HydrophobicContact CB-CD1 4.08Å; H527-L543 HydrophobicContact CB-CD2 4.18Å; H527-V552 HydrophobicContact CB-CG1 3.99Å; H527-C556 HydrophobicContact CB-CB 3.96Å; H527-C556 VanDerWaalsContact CD2-SG 3.59Å; H527-L560 HydrophobicContact CB-CD1 4.1Å
528	C	87.5	Confident	90.6	Very high	43 Å²	43	57.7 Å²	57.7	29%	0.291	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-10.8	-177.1	68.4	0	0	0	0	114.7	C525 G530	C525-C528 VanDerWaalsContact CB-SG 3.55Å; C528-G530 VanDerWaalsContact C-N 3.27Å; C528-G530 PolarHBondContact O-N 3.42Å
529	G	88.8	Confident	90.8	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	26%	0.255	C	S	.	.			trans	77.8	1.9	-178.6	0	0	0	0	0	115.6	T501 C525	T501-G529 PolarHBondContact N-O 3.02Å; T501-G529 PolarHBondContact OG1-O 3.03Å; C525-G529 VanDerWaalsContact O-CA 3.25Å; C525-G529 WeakPolarHBondContact O-CA 3.39Å; C525-G529 PolarHBondContact O-N 3.25Å
530	G	91	Very high	90.8	Very high	4 Å²	4	50.8 Å²	50.8	4%	0.041	23%	0.234	C	C	.	.			trans	-75.8	164.2	178.5	0	0	0	0	0	114.1	Q510 H524 C525 C528 F532	Q510-G530 VanDerWaalsContact OE1-C 3.28Å; H524-G530 CarbonylContact C-O 3.57Å; H524-G530 WeakPolarHBondContact CA-O 3.37Å; C525-G530 PolarHBondContact N-O 2.95Å; C528-G530 VanDerWaalsContact C-N 3.27Å; C528-G530 PolarHBondContact O-N 3.42Å; G530-F532 WeakPolarHBondContact O-CD2 3.5Å; G530-F532 WeakPolarHBondContact O-CE2 3.48Å
531	I	93.6	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.2	-177	-64	171.5	0	0	0	111.5	T501 D502 D503 V506 Q510 F516 K522 H524	T501-I531 HydrophobicContact CG2-CD1 4.36Å; D502-I531 WeakPolarHBondContact O-CD1 3.2Å; D503-I531 WeakPolarHBondContact OD1-CD1 3.49Å; V506-I531 HydrophobicContact CB-CB 4.31Å; V506-I531 HydrophobicContact CB-CD1 4.01Å; V506-I531 HydrophobicContact CG1-CB 4.16Å; V506-I531 HydrophobicContact CG1-CG2 4.35Å; V506-I531 HydrophobicContact CG2-CB 4.34Å; V506-I531 HydrophobicContact CG2-CD1 3.85Å; V506-I531 HydrophobicContact CG2-CG1 4.47Å; Q510-I531 WeakPolarHBondContact CB-O 3.27Å; Q510-I531 WeakPolarHBondContact CG-O 3.5Å; Q510-I531 PolarHBondContact N-O 3.3Å; F516-I531 HydrophobicContact CE2-CG2 3.74Å; F516-I531 HydrophobicContact CZ-CG2 3.67Å; K522-I531 HydrophobicContact CB-CG2 3.58Å; K522-I531 HydrophobicContact CD-CG2 4.14Å; K522-I531 HydrophobicContact CG-CG2 3.81Å; H524-I531 WeakPolarHBondContact NE2-CG1 3.26Å
532	F	95.1	Very high	89.8	Confident	14 Å²	14	43 Å²	43	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.7	-173.2	-59.3	-89	0	0	0	111	Q510 H523 C525 G530 C536 C553	Q510-F532 HydrophobicContact CB-CD1 4.24Å; Q510-F532 HydrophobicContact CB-CE1 3.77Å; Q510-F532 HydrophobicContact CB-CZ 4.04Å; H523-F532 WeakPolarHBondContact CA-O 3.42Å; H523-F532 WeakPolarHBondContact CB-O 3.4Å; H523-F532 PolarHBondContact N-O 3.42Å; H523-F532 PolarHBondContact O-N 2.91Å; C525-F532 HydrophobicContact CB-CD2 3.91Å; C525-F532 HydrophobicContact CB-CE2 3.63Å; G530-F532 WeakPolarHBondContact O-CD2 3.5Å; G530-F532 WeakPolarHBondContact O-CE2 3.48Å; F532-C536 HydrophobicContact CB-CB 4.14Å; F532-C536 HydrophobicContact CD1-CB 4.14Å; F532-C553 HydrophobicContact CD1-CB 3.79Å; F532-C553 HydrophobicContact CD2-CB 3.63Å; F532-C553 HydrophobicContact CE1-CB 3.63Å; F532-C553 HydrophobicContact CE2-CB 3.47Å; F532-C553 VanDerWaalsContact CE2-CB 3.47Å; F532-C553 HydrophobicContact CG-CB 3.8Å; F532-C553 HydrophobicContact CZ-CB 3.48Å; F532-C553 VanDerWaalsContact CZ-CB 3.48Å
533	C	94	Very high	89.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.204	C	C	.	.			trans	-77.9	170.1	166.7	72.4	0	0	0	0	110.2	C509 F516 R520 Q535 C536 S537	C509-C533 HydrophobicContact CB-CB 4.18Å; C509-C533 PolarHBondContact SG-N 3.27Å; C509-C533 VanDerWaalsContact SG-SG 3.64Å; F516-C533 HydrophobicContact CE1-CB 3.98Å; R520-C533 HydrophobicContact CG-CB 3.9Å; C533-Q535 VanDerWaalsContact C-N 3.29Å; C533-Q535 PolarHBondContact O-N 3.1Å; C533-C536 PolarHBondContact O-N 3.29Å; C533-C536 VanDerWaalsContact SG-SG 3.66Å; C533-S537 PolarHBondContact O-N 3.29Å; C533-S537 PolarHBondContact O-OG 3.29Å
534	H	90.9	Very high	88.2	Confident	76 Å²	76	44.2 Å²	44.2	35%	0.352	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-54.6	-45.9	-178.9	-179	81.8	0	0	0	111.9	H523 C536 S537 E538	H523-H534 PolarHBondContact CD2-N 3.35Å; H534-C536 VanDerWaalsContact C-N 3.31Å; H534-C536 PolarHBondContact O-N 2.76Å; H534-S537 CarbonylContact O-C 3.54Å; H534-S537 PolarHBondContact O-N 2.86Å; H534-E538 IonicContact NE2-OE1 2.74Å; H534-E538 WeakPolarHBondContact O-CA 3.48Å; H534-E538 PolarHBondContact O-N 2.89Å
535	Q	91.1	Very high	87.2	Confident	112 Å²	112	48.1 Å²	48.1	52%	0.523	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-65.4	-27.9	-178.2	-68.1	79.9	18.3	0	0	114.2	C533	C533-Q535 VanDerWaalsContact C-N 3.29Å; C533-Q535 PolarHBondContact O-N 3.1Å
536	C	94.2	Very high	86.3	Confident	15 Å²	15	49.9 Å²	49.9	10%	0.101	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-93.1	2.2	-179.2	-65.1	0	0	0	0	113.7	C512 F532 C533 H534 C553 D554	C512-C536 VanDerWaalsContact CB-SG 3.55Å; F532-C536 HydrophobicContact CB-CB 4.14Å; F532-C536 HydrophobicContact CD1-CB 4.14Å; C533-C536 PolarHBondContact O-N 3.29Å; C533-C536 VanDerWaalsContact SG-SG 3.66Å; H534-C536 VanDerWaalsContact C-N 3.31Å; H534-C536 PolarHBondContact O-N 2.76Å; C536-C553 WeakPolarHBondContact O-CA 3.34Å; C536-D554 VanDerWaalsContact CA-OD2 3.31Å; C536-D554 WeakPolarHBondContact CA-OD2 3.48Å; C536-D554 PolarHBondContact O-N 3.13Å
537	S	92.1	Very high	85.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-148.8	29.8	-176.2	62.6	0	0	0	0	111.4	C533 H534 N539 R551 V552	C533-S537 PolarHBondContact O-N 3.29Å; C533-S537 PolarHBondContact O-OG 3.29Å; H534-S537 CarbonylContact O-C 3.54Å; H534-S537 PolarHBondContact O-N 2.86Å; S537-N539 PolarHBondContact O-N 3.43Å; S537-R551 WeakPolarHBondContact O-CD 3.36Å; S537-R551 WeakPolarHBondContact O-CG 3.42Å; S537-R551 PolarHBondContact O-NH1 3.21Å; S537-R551 PolarHBondContact OG-NH1 3.43Å; S537-V552 CarbonylContact C-O 3.49Å; S537-V552 WeakPolarHBondContact CA-O 3.32Å
538	E	89.8	Confident	85.4	Confident	117 Å²	117	54.5 Å²	54.5	55%	0.547	32%	0.317	S	S	.	.			trans	-68.8	-26.2	-176	-166	168.8	178.5	0	0	111.7	H534	H534-E538 IonicContact NE2-OE1 2.74Å; H534-E538 WeakPolarHBondContact O-CA 3.48Å; H534-E538 PolarHBondContact O-N 2.89Å
539	N	90.5	Very high	85.3	Confident	57 Å²	57	56.3 Å²	56.3	31%	0.305	33%	0.328	S	S	.	.			trans	-71.4	145.9	-176.9	-65.2	-57.8	0	0	0	113.3	S537 R551 V552 D554 F557	S537-N539 PolarHBondContact O-N 3.43Å; N539-R551 WeakPolarHBondContact O-CA 3.39Å; N539-V552 HydrophobicContact CB-CG2 4.41Å; N539-V552 PolarHBondContact O-N 3.27Å; N539-D554 PolarHBondContact ND2-OD1 2.98Å; N539-F557 HydrophobicContact CB-CB 4.01Å; N539-F557 HydrophobicContact CB-CD1 4.2Å; N539-F557 HydrophobicContact CB-CD2 3.37Å; N539-F557 HydrophobicContact CB-CE2 3.77Å; N539-F557 HydrophobicContact CB-CG 3.6Å; N539-F557 HydrophobicContact CB-CZ 4.35Å
540	T	86.9	Confident	85.3	Confident	62 Å²	62	57.5 Å²	57.5	38%	0.38	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.6	173.3	60.6	0	0	0	0	110.5	V550	T540-V550 CarbonylContact C-O 3.58Å; T540-V550 VanDerWaalsContact CA-O 3.23Å; T540-V550 WeakPolarHBondContact CA-O 3.23Å
541	L	81.3	Confident	85.4	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.068	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.9	174.5	-77.9	172	0	0	0	110.3	L543 V550 V552 F557 L560	L541-L543 PolarHBondContact O-N 2.83Å; L541-V550 PolarHBondContact N-O 2.91Å; L541-V550 WeakPolarHBondContact O-CG2 3.27Å; L541-V550 PolarHBondContact O-N 2.89Å; L541-V552 HydrophobicContact CB-CG2 4.33Å; L541-V552 HydrophobicContact CD1-CG2 4.26Å; L541-V552 HydrophobicContact CG-CG2 4.34Å; L541-F557 HydrophobicContact CD1-CB 4.5Å; L541-F557 HydrophobicContact CD1-CD2 3.34Å; L541-F557 HydrophobicContact CD1-CE2 3.77Å; L541-F557 HydrophobicContact CD1-CG 4.12Å; L541-F557 HydrophobicContact CD2-CD2 4.11Å; L541-F557 HydrophobicContact CD2-CE2 3.65Å; L541-F557 HydrophobicContact CG-CD2 3.42Å; L541-F557 VanDerWaalsContact CG-CD2 3.42Å; L541-F557 HydrophobicContact CG-CE2 3.45Å; L541-F557 VanDerWaalsContact CG-CE2 3.45Å; L541-L560 HydrophobicContact CD1-CB 3.76Å; L541-L560 HydrophobicContact CD1-CD1 4.32Å
542	P	77.7	Confident	85.3	Confident	70 Å²	70	59.6 Å²	59.6	46%	0.455	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.7	164.6	27.9	-30.9	0	0	0	109
543	L	78.8	Confident	85.2	Confident	10 Å²	10	59 Å²	59	5%	0.052	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	156.7	174.7	-65.7	-178.8	0	0	0	109.2	R526 H527 L541 S545 S546 V550 V552 L560	R526-L543 VanDerWaalsContact C-CD1 3.42Å; R526-L543 HydrophobicContact CB-CD1 3.83Å; R526-L543 VanDerWaalsContact O-CD1 3.24Å; R526-L543 WeakPolarHBondContact O-CD1 3.46Å; H527-L543 HydrophobicContact CB-CD1 4.08Å; H527-L543 HydrophobicContact CB-CD2 4.18Å; L541-L543 PolarHBondContact O-N 2.83Å; L543-S545 PolarHBondContact O-N 3.48Å; L543-S546 PolarHBondContact N-O 2.98Å; L543-S546 VanDerWaalsContact N-O 3.12Å; L543-S546 CarbonylContact O-C 3.4Å; L543-S546 PolarHBondContact O-N 3.35Å; L543-V550 HydrophobicContact CB-CG2 4.21Å; L543-V550 HydrophobicContact CD1-CG2 3.5Å; L543-V550 HydrophobicContact CG-CG2 3.59Å; L543-V552 HydrophobicContact CD1-CG1 4.34Å; L543-V552 HydrophobicContact CD2-CG1 4.28Å; L543-L560 HydrophobicContact CD2-CD1 3.36Å
544	P	71.7	Confident	84.9	Confident	136 Å²	136	61.9 Å²	61.9	88%	0.883	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27.4	172.6	-26.2	34.5	0	0	0	113.4
545	S	72.2	Confident	84.7	Confident	106 Å²	106	61.8 Å²	61.8	74%	0.741	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.2	177	53.1	0	0	0	0	114.8	L543	L543-S545 PolarHBondContact O-N 3.48Å
546	S	71.3	Confident	84.6	Confident	38 Å²	38	56.9 Å²	56.9	27%	0.266	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	114.4	179.3	171.5	0	0	0	0	111.2	L543 K548	L543-S546 PolarHBondContact N-O 2.98Å; L543-S546 VanDerWaalsContact N-O 3.12Å; L543-S546 CarbonylContact O-C 3.4Å; L543-S546 PolarHBondContact O-N 3.35Å; S546-K548 PolarHBondContact O-N 3.43Å; S546-K548 PolarHBondContact OG-N 3.5Å; S546-K548 PolarHBondContact OG-O 3.43Å
547	A	74.6	Confident	84.2	Confident	100 Å²	100	58.3 Å²	58.3	83%	0.826	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	-24.7	174.5	0	0	0	0	0	113.4
548	K	80.3	Confident	83.9	Confident	168 Å²	168	61.4 Å²	61.4	73%	0.73	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.5	172.2	-67.6	-176.6	-179.4	179.8	0	109.4	S546 V550	S546-K548 PolarHBondContact O-N 3.43Å; S546-K548 PolarHBondContact OG-N 3.5Å; S546-K548 PolarHBondContact OG-O 3.43Å; K548-V550 PolarHBondContact O-N 3.48Å
549	P	85.7	Confident	83.5	Confident	82 Å²	82	61.1 Å²	61.1	53%	0.532	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	123.4	175.9	-25.1	33.6	0	0	0	111.3
550	V	89.4	Confident	83	Confident	27 Å²	27	59.4 Å²	59.4	16%	0.164	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.5	179.8	-71.1	0	0	0	0	110.4	R526 T540 L541 L543 K548 V552	R526-V550 HydrophobicContact CB-CB 3.87Å; R526-V550 HydrophobicContact CB-CG2 3.64Å; R526-V550 HydrophobicContact CG-CB 3.85Å; R526-V550 HydrophobicContact CG-CG1 4.38Å; R526-V550 HydrophobicContact CG-CG2 4.18Å; T540-V550 CarbonylContact C-O 3.58Å; T540-V550 VanDerWaalsContact CA-O 3.23Å; T540-V550 WeakPolarHBondContact CA-O 3.23Å; L541-V550 PolarHBondContact N-O 2.91Å; L541-V550 WeakPolarHBondContact O-CG2 3.27Å; L541-V550 PolarHBondContact O-N 2.89Å; L543-V550 HydrophobicContact CB-CG2 4.21Å; L543-V550 HydrophobicContact CD1-CG2 3.5Å; L543-V550 HydrophobicContact CG-CG2 3.59Å; K548-V550 PolarHBondContact O-N 3.48Å; V550-V552 PolarHBondContact O-N 3.15Å
551	R	92.5	Very high	82.6	Confident	48 Å²	48	59.5 Å²	59.5	18%	0.181	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	127.6	-179.9	-173.8	179.2	-72.7	-92.2	-7.3	111.9	R526 S537 N539	R526-R551 WeakPolarHBondContact CD-O 3.49Å; R526-R551 PolarHBondContact N-O 2.96Å; S537-R551 WeakPolarHBondContact O-CD 3.36Å; S537-R551 WeakPolarHBondContact O-CG 3.42Å; S537-R551 PolarHBondContact O-NH1 3.21Å; S537-R551 PolarHBondContact OG-NH1 3.43Å; N539-R551 WeakPolarHBondContact O-CA 3.39Å
552	V	91	Very high	82.3	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.384	C	S	.	.			trans	-126.7	150.2	172.9	-68.8	0	0	0	0	109.5	H527 S537 N539 L541 L543 V550 C556 F557 L560	H527-V552 HydrophobicContact CB-CG1 3.99Å; S537-V552 CarbonylContact C-O 3.49Å; S537-V552 WeakPolarHBondContact CA-O 3.32Å; N539-V552 HydrophobicContact CB-CG2 4.41Å; N539-V552 PolarHBondContact O-N 3.27Å; L541-V552 HydrophobicContact CB-CG2 4.33Å; L541-V552 HydrophobicContact CD1-CG2 4.26Å; L541-V552 HydrophobicContact CG-CG2 4.34Å; L543-V552 HydrophobicContact CD1-CG1 4.34Å; L543-V552 HydrophobicContact CD2-CG1 4.28Å; V550-V552 PolarHBondContact O-N 3.15Å; V552-C556 HydrophobicContact CB-CB 4.1Å; V552-F557 HydrophobicContact CG2-CB 3.87Å; V552-F557 HydrophobicContact CG2-CD2 3.85Å; V552-F557 HydrophobicContact CG2-CG 4.37Å; V552-L560 HydrophobicContact CG1-CD1 4.48Å
553	C	93	Very high	81.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.007	39%	0.389	C	S	.	.			trans	-70.3	160.2	170.4	64	0	0	0	0	110.6	C525 F532 C536 S555 C556 F557	C525-C553 HydrophobicContact CB-CB 4.04Å; C525-C553 PolarHBondContact SG-N 2.78Å; C525-C553 VanDerWaalsContact SG-SG 3.67Å; F532-C553 HydrophobicContact CD1-CB 3.79Å; F532-C553 HydrophobicContact CD2-CB 3.63Å; F532-C553 HydrophobicContact CE1-CB 3.63Å; F532-C553 HydrophobicContact CE2-CB 3.47Å; F532-C553 VanDerWaalsContact CE2-CB 3.47Å; F532-C553 HydrophobicContact CG-CB 3.8Å; F532-C553 HydrophobicContact CZ-CB 3.48Å; F532-C553 VanDerWaalsContact CZ-CB 3.48Å; C536-C553 WeakPolarHBondContact O-CA 3.34Å; C553-S555 PolarHBondContact O-N 3.36Å; C553-S555 PolarHBondContact SG-OG 2.71Å; C553-C556 PolarHBondContact O-N 3.4Å; C553-C556 PolarHBondContact SG-SG 3.35Å; C553-F557 PolarHBondContact O-N 2.87Å
554	D	89.1	Confident	81.3	Confident	62 Å²	62	73.1 Å²	73.1	33%	0.332	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-36.3	-174.7	-56.5	-31.2	0	0	0	112.8	C536 N539 F557 S558	C536-D554 VanDerWaalsContact CA-OD2 3.31Å; C536-D554 WeakPolarHBondContact CA-OD2 3.48Å; C536-D554 PolarHBondContact O-N 3.13Å; N539-D554 PolarHBondContact ND2-OD1 2.98Å; D554-F557 WeakPolarHBondContact O-CB 3.45Å; D554-F557 PolarHBondContact O-N 3.47Å; D554-S558 PolarHBondContact O-N 3.44Å; D554-S558 PolarHBondContact O-OG 3Å
555	S	86	Confident	80.9	Confident	74 Å²	74	70.7 Å²	70.7	52%	0.517	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-43.1	176	59.7	0	0	0	0	112.5	C553 F557 L559	C553-S555 PolarHBondContact O-N 3.36Å; C553-S555 PolarHBondContact SG-OG 2.71Å; S555-F557 VanDerWaalsContact C-N 3.33Å; S555-L559 WeakPolarHBondContact O-CB 3.21Å; S555-L559 PolarHBondContact O-N 3.45Å; S555-L559 VanDerWaalsContact O-N 3.12Å
556	C	88.6	Confident	80.2	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.054	39%	0.392	C	S	.	.	H	α-helix	trans	-68.6	-35.2	175.5	-70.8	0	0	0	0	111.6	C525 H527 V552 C553 L560	C525-C556 VanDerWaalsContact SG-SG 3.62Å; H527-C556 HydrophobicContact CB-CB 3.96Å; H527-C556 VanDerWaalsContact CD2-SG 3.59Å; V552-C556 HydrophobicContact CB-CB 4.1Å; C553-C556 PolarHBondContact O-N 3.4Å; C553-C556 PolarHBondContact SG-SG 3.35Å; C556-L560 VanDerWaalsContact O-CB 3.25Å; C556-L560 WeakPolarHBondContact O-CB 3.49Å; C556-L560 WeakPolarHBondContact O-CD1 3.39Å; C556-L560 WeakPolarHBondContact O-CG 3.18Å; C556-L560 PolarHBondContact O-N 2.88Å
557	F	86.7	Confident	79.2	Confident	46 Å²	46	76.7 Å²	76.7	20%	0.202	42%	0.417	C	S	.	.	H	α-helix	trans	-59.9	-52.4	176.1	-173.2	-103.8	0	0	0	110.9	N539 L541 V552 C553 D554 S555 L560 L561	N539-F557 HydrophobicContact CB-CB 4.01Å; N539-F557 HydrophobicContact CB-CD1 4.2Å; N539-F557 HydrophobicContact CB-CD2 3.37Å; N539-F557 HydrophobicContact CB-CE2 3.77Å; N539-F557 HydrophobicContact CB-CG 3.6Å; N539-F557 HydrophobicContact CB-CZ 4.35Å; L541-F557 HydrophobicContact CD1-CB 4.5Å; L541-F557 HydrophobicContact CD1-CD2 3.34Å; L541-F557 HydrophobicContact CD1-CE2 3.77Å; L541-F557 HydrophobicContact CD1-CG 4.12Å; L541-F557 HydrophobicContact CD2-CD2 4.11Å; L541-F557 HydrophobicContact CD2-CE2 3.65Å; L541-F557 HydrophobicContact CG-CD2 3.42Å; L541-F557 VanDerWaalsContact CG-CD2 3.42Å; L541-F557 HydrophobicContact CG-CE2 3.45Å; L541-F557 VanDerWaalsContact CG-CE2 3.45Å; V552-F557 HydrophobicContact CG2-CB 3.87Å; V552-F557 HydrophobicContact CG2-CD2 3.85Å; V552-F557 HydrophobicContact CG2-CG 4.37Å; C553-F557 PolarHBondContact O-N 2.87Å; D554-F557 WeakPolarHBondContact O-CB 3.45Å; D554-F557 PolarHBondContact O-N 3.47Å; S555-F557 VanDerWaalsContact C-N 3.33Å; F557-L560 PolarHBondContact O-N 3.34Å; F557-L561 HydrophobicContact CE1-CD2 4.13Å; F557-L561 VanDerWaalsContact O-CB 3.24Å; F557-L561 WeakPolarHBondContact O-CB 3.12Å; F557-L561 PolarHBondContact O-N 2.91Å
558	S	85.7	Confident	77.6	Confident	65 Å²	65	75.6 Å²	75.6	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-48.2	178.7	-58.7	0	0	0	0	112.4	D554 L560 L561 E562	D554-S558 PolarHBondContact O-N 3.44Å; D554-S558 PolarHBondContact O-OG 3Å; S558-L560 VanDerWaalsContact C-N 3.33Å; S558-L560 PolarHBondContact O-N 3.22Å; S558-L561 PolarHBondContact O-N 2.93Å; S558-E562 PolarHBondContact O-N 3.49Å
559	L	81.1	Confident	75.7	Confident	110 Å²	110	69.6 Å²	69.6	58%	0.576	40%	0.401	S	S	*	.	H	α-helix	trans	-58	-43	178.3	-97	155.5	0	0	0	112.8	S555 R563	S555-L559 WeakPolarHBondContact O-CB 3.21Å; S555-L559 PolarHBondContact O-N 3.45Å; S555-L559 VanDerWaalsContact O-N 3.12Å; L559-R563 PolarHBondContact O-N 3.07Å
560	L	80.1	Confident	73.4	Confident	21 Å²	21	72 Å²	72	11%	0.11	42%	0.416	C	S	.	.	H	α-helix	trans	-75.5	-33.6	-179.5	-71.1	169.3	0	0	0	111.9	H527 L541 L543 V552 C556 F557 S558 R563 L564	H527-L560 HydrophobicContact CB-CD1 4.1Å; L541-L560 HydrophobicContact CD1-CB 3.76Å; L541-L560 HydrophobicContact CD1-CD1 4.32Å; L543-L560 HydrophobicContact CD2-CD1 3.36Å; V552-L560 HydrophobicContact CG1-CD1 4.48Å; C556-L560 VanDerWaalsContact O-CB 3.25Å; C556-L560 WeakPolarHBondContact O-CB 3.49Å; C556-L560 WeakPolarHBondContact O-CD1 3.39Å; C556-L560 WeakPolarHBondContact O-CG 3.18Å; C556-L560 PolarHBondContact O-N 2.88Å; F557-L560 PolarHBondContact O-N 3.34Å; S558-L560 VanDerWaalsContact C-N 3.33Å; S558-L560 PolarHBondContact O-N 3.22Å; L560-R563 PolarHBondContact O-N 3.47Å; L560-L564 WeakPolarHBondContact O-CB 3.29Å; L560-L564 WeakPolarHBondContact O-CG 3.44Å; L560-L564 PolarHBondContact O-N 3.34Å
561	L	78.8	Confident	71.1	Confident	65 Å²	65	75.4 Å²	75.4	34%	0.34	44%	0.442	S	S	.	.	H	α-helix	trans	-68.8	-41.4	177	-161.6	71.1	0	0	0	111.7	F557 S558 R563 L564 T565	F557-L561 HydrophobicContact CE1-CD2 4.13Å; F557-L561 VanDerWaalsContact O-CB 3.24Å; F557-L561 WeakPolarHBondContact O-CB 3.12Å; F557-L561 PolarHBondContact O-N 2.91Å; S558-L561 PolarHBondContact O-N 2.93Å; L561-R563 VanDerWaalsContact C-N 3.25Å; L561-R563 PolarHBondContact O-N 3.08Å; L561-L564 PolarHBondContact O-N 2.89Å; L561-T565 WeakPolarHBondContact O-CG2 3.24Å; L561-T565 PolarHBondContact O-N 3.23Å; L561-T565 PolarHBondContact O-OG1 3.25Å
562	E	73.9	Confident	68.5	Low	135 Å²	135	78.8 Å²	78.8	63%	0.631	47%	0.47	S	S	*	.	H	α-helix	trans	-58.9	-38.1	171.2	-77.9	179.9	-176.6	0	0	111.6	S558 T565 A566	S558-E562 PolarHBondContact O-N 3.49Å; E562-T565 WeakPolarHBondContact CA-OG1 3.41Å; E562-T565 PolarHBondContact O-N 2.98Å; E562-T565 PolarHBondContact O-OG1 3.03Å; E562-A566 WeakPolarHBondContact O-CB 3.2Å; E562-A566 PolarHBondContact O-N 3.41Å
563	R	68.9	Low	65.9	Low	153 Å²	153	83.6 Å²	83.6	58%	0.577	50%	0.503	S	S	*	.	H	α-helix	trans	-74	-36	179.2	-157.2	178.7	-122.2	159.1	-1.6	113.2	L559 L560 L561 T565 K567	L559-R563 PolarHBondContact O-N 3.07Å; L560-R563 PolarHBondContact O-N 3.47Å; L561-R563 VanDerWaalsContact C-N 3.25Å; L561-R563 PolarHBondContact O-N 3.08Å; R563-T565 VanDerWaalsContact C-N 3.34Å; R563-K567 PolarHBondContact O-N 2.99Å
564	L	65.8	Low	63.5	Low	90 Å²	90	89.5 Å²	89.5	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-69	-33.9	174.9	-74.5	168.4	0	0	0	111.4	L560 L561 K567	L560-L564 WeakPolarHBondContact O-CB 3.29Å; L560-L564 WeakPolarHBondContact O-CG 3.44Å; L560-L564 PolarHBondContact O-N 3.34Å; L561-L564 PolarHBondContact O-N 2.89Å; L564-K567 CarbonylContact O-C 3.54Å; L564-K567 PolarHBondContact O-N 2.92Å
565	T	64.8	Low	61	Low	86 Å²	86	90.8 Å²	90.8	53%	0.528	56%	0.558	S	S	.	*	H	α-helix	trans	-75.4	-36.2	174	51.7	0	0	0	0	112.4	L561 E562 R563 K567 G568	L561-T565 WeakPolarHBondContact O-CG2 3.24Å; L561-T565 PolarHBondContact O-N 3.23Å; L561-T565 PolarHBondContact O-OG1 3.25Å; E562-T565 WeakPolarHBondContact CA-OG1 3.41Å; E562-T565 PolarHBondContact O-N 2.98Å; E562-T565 PolarHBondContact O-OG1 3.03Å; R563-T565 VanDerWaalsContact C-N 3.34Å; T565-K567 PolarHBondContact O-N 3.39Å; T565-G568 PolarHBondContact O-N 3.24Å
566	A	57.8	Low	58.6	Low	88 Å²	88	95.2 Å²	95.2	73%	0.727	58%	0.576	S	S	*	*	H	α-helix	trans	-64.6	-22.2	172.4	0	0	0	0	0	113.5	E562	E562-A566 WeakPolarHBondContact O-CB 3.2Å; E562-A566 PolarHBondContact O-N 3.41Å
567	K	49	Very low	56.1	Low	181 Å²	181	103.5 Å²	103.5	79%	0.787	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	44.9	170.8	-73.1	-172.3	174.8	-176.5	0	112.3	R563 L564 T565 G569	R563-K567 PolarHBondContact O-N 2.99Å; L564-K567 CarbonylContact O-C 3.54Å; L564-K567 PolarHBondContact O-N 2.92Å; T565-K567 PolarHBondContact O-N 3.39Å; K567-G569 VanDerWaalsContact C-N 3.33Å; K567-G569 PolarHBondContact O-N 2.9Å
568	G	41.3	Very low	53.4	Low	78 Å²	78	106.4 Å²	106.4	80%	0.804	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.3	36	153.9	0	0	0	0	0	118.7	T565	T565-G568 PolarHBondContact O-N 3.24Å
569	G	40.4	Very low	50.8	Low	41 Å²	41	106.8 Å²	106.8	42%	0.423	66%	0.663	S	S	.	*			trans	-112.8	146.5	175.7	0	0	0	0	0	112.5	K567 S571	K567-G569 VanDerWaalsContact C-N 3.33Å; K567-G569 PolarHBondContact O-N 2.9Å; G569-S571 PolarHBondContact O-N 3.05Å
570	P	38.2	Very low	48.3	Very low	132 Å²	132	115.3 Å²	115.3	86%	0.857	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-65.8	130.8	-171.3	26.4	-32.6	0	0	0	112
571	S	40.4	Very low	46.8	Very low	100 Å²	100	120 Å²	120	70%	0.699	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-63.7	125.8	175.1	38.8	0	0	0	0	111	G569 S573	G569-S571 PolarHBondContact O-N 3.05Å; S571-S573 PolarHBondContact O-N 2.6Å
572	P	37.2	Very low	45.1	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-70.8	116.8	169.2	-3.3	17.2	0	0	0	108.9	S574	P572-S574 PolarHBondContact O-N 3.43Å
573	S	38	Very low	43.5	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-63.1	128.4	175.3	47.4	0	0	0	0	111.6	S571 S575	S571-S573 PolarHBondContact O-N 2.6Å; S573-S575 PolarHBondContact O-N 3.19Å
574	S	41.2	Very low	42	Very low	126 Å²	126	120.4 Å²	120.4	88%	0.881	76%	0.762	S	S	*	*	S	Bend	trans	-65.7	82	173	53.4	0	0	0	0	111.6	P572	P572-S574 PolarHBondContact O-N 3.43Å
575	S	37.2	Very low	40.5	Very low	88 Å²	88	122.3 Å²	122.3	62%	0.615	78%	0.78	S	S	*	*			trans	-161.1	53	171.1	38.5	0	0	0	0	112.2	S573	S573-S575 PolarHBondContact O-N 3.19Å
576	D	36.4	Very low	38.9	Very low	167 Å²	167	124.7 Å²	124.7	89%	0.893	80%	0.796	S	S	*	*	S	Bend	trans	-146.1	46	164.3	-87.8	-35	0	0	0	110.5
577	M	34.3	Very low	37.5	Very low	182 Å²	182	127.4 Å²	127.4	90%	0.897	80%	0.801	S	S	*	*			trans	-143.2	58.7	173.5	-78.2	-82.4	-157.8	0	0	109.2
578	A	31.4	Very low	36.6	Very low	108 Å²	108	123.2 Å²	123.2	89%	0.893	80%	0.803	S	S	*	*			trans	-151.2	82.8	165.1	0	0	0	0	0	108.7
579	G	31.4	Very low	36.2	Very low	72 Å²	72	127 Å²	127	74%	0.742	80%	0.802	S	S	*	*			trans	-177	85	178.3	0	0	0	0	0	114.1
580	K	28.7	Very low	35.8	Very low	289 Å²	289	134.8 Å²	134.8	100%	1.257	84%	0.837	S	S	*	*			trans	63.2	0	159.3	-74.4	-179.1	175.8	178.5	0	119.9

Retrieved 580 of 580 residues in 295.5 ms (Link to these results)

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