A0A5K4EAN1_SCHMA Loading...

Putative syntaxin

AlphaFold DB , UniProt , Accession A0A5K4EAN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	64.9	Low	238 Å²	238	134.2 Å²	134.2	100%	1.172	72%	0.719	S	S	*	*				0	93.6	0	-87.1	-167.3	-86.8	0	0	108.7	K3	M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.17Å
2	T	47.2	Very low	65	Low	149 Å²	149	129.5 Å²	129.5	91%	0.914	71%	0.713	S	S	*	*			trans	-68.2	102.8	166.2	29.4	0	0	0	0	107.3	D4	T2-D4 PolarHBondContact O-N 3.28Å; T2-D4 VanDerWaalsContact O-N 3.17Å
3	K	61.3	Low	64.7	Low	187 Å²	187	129.6 Å²	129.6	81%	0.813	71%	0.705	S	S	*	*			trans	-65	114.8	177.1	-85.7	178	173.8	174.5	0	108.2	M1 L5	M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-L5 PolarHBondContact O-N 3.36Å
4	D	68.3	Low	64	Low	117 Å²	117	126.7 Å²	126.7	63%	0.626	70%	0.696	S	S	*	*			trans	-61.7	104.8	171.1	-170.9	-2.7	0	0	0	109.2	T2 I6	T2-D4 PolarHBondContact O-N 3.28Å; T2-D4 VanDerWaalsContact O-N 3.17Å; D4-I6 VanDerWaalsContact OD1-CB 3.32Å; D4-I6 WeakPolarHBondContact OD1-CB 3.05Å; D4-I6 WeakPolarHBondContact OD1-CG1 3.27Å; D4-I6 PolarHBondContact OD1-N 3.14Å
5	L	72.7	Confident	63.5	Low	113 Å²	113	131.1 Å²	131.1	59%	0.592	71%	0.709	S	S	*	*			trans	-91.4	-2.5	-177.7	-85.8	149.8	0	0	0	112.1	K3 S7 A8 L9	K3-L5 PolarHBondContact O-N 3.36Å; L5-S7 VanDerWaalsContact C-N 3.29Å; L5-S7 PolarHBondContact O-N 3.46Å; L5-A8 HydrophobicContact CD2-CB 4.27Å; L5-A8 PolarHBondContact O-N 3.45Å; L5-A8 VanDerWaalsContact O-N 3.15Å; L5-L9 PolarHBondContact O-N 3.12Å
6	I	72.9	Confident	62.8	Low	114 Å²	114	132 Å²	132	59%	0.585	71%	0.714	S	S	*	*	H	α-helix	trans	-61.6	-41.5	-177.3	-64.9	178.3	0	0	0	110.2	D4 A8 L9 R10	D4-I6 VanDerWaalsContact OD1-CB 3.32Å; D4-I6 WeakPolarHBondContact OD1-CB 3.05Å; D4-I6 WeakPolarHBondContact OD1-CG1 3.27Å; D4-I6 PolarHBondContact OD1-N 3.14Å; I6-A8 PolarHBondContact O-N 3.34Å; I6-L9 PolarHBondContact O-N 3.07Å; I6-R10 PolarHBondContact O-N 3.41Å; I6-R10 VanDerWaalsContact O-N 3.1Å
7	S	71.5	Confident	62.2	Low	87 Å²	87	126.2 Å²	126.2	61%	0.608	69%	0.688	S	S	*	*	H	α-helix	trans	-65.6	-36.8	177.1	-54.6	0	0	0	0	112.8	L5 R10 A11	L5-S7 VanDerWaalsContact C-N 3.29Å; L5-S7 PolarHBondContact O-N 3.46Å; S7-R10 PolarHBondContact O-N 3.45Å; S7-A11 PolarHBondContact O-N 3.12Å
8	A	73.3	Confident	61.6	Low	55 Å²	55	124.8 Å²	124.8	46%	0.455	69%	0.689	S	S	.	*	H	α-helix	trans	-71.3	-36.1	178.5	0	0	0	0	0	111.9	L5 I6 A11 A12	L5-A8 HydrophobicContact CD2-CB 4.27Å; L5-A8 PolarHBondContact O-N 3.45Å; L5-A8 VanDerWaalsContact O-N 3.15Å; I6-A8 PolarHBondContact O-N 3.34Å; A8-A11 PolarHBondContact O-N 2.9Å; A8-A12 PolarHBondContact O-N 3.4Å
9	L	67.8	Low	61.1	Low	123 Å²	123	126.2 Å²	126.2	64%	0.644	70%	0.696	S	S	*	*	H	α-helix	trans	-66.2	-38.1	173.9	-80.8	162.1	0	0	0	112.1	L5 I6 A12	L5-L9 PolarHBondContact O-N 3.12Å; I6-L9 PolarHBondContact O-N 3.07Å; L9-A12 PolarHBondContact O-N 3.01Å
10	R	70	Confident	60.8	Low	205 Å²	205	126.5 Å²	126.5	77%	0.774	70%	0.695	S	S	*	*	H	α-helix	trans	-68.8	-33.5	178	-161.6	179.7	-87.2	179.6	-6.6	112.3	I6 S7	I6-R10 PolarHBondContact O-N 3.41Å; I6-R10 VanDerWaalsContact O-N 3.1Å; S7-R10 PolarHBondContact O-N 3.45Å
11	A	68.9	Low	60.2	Low	88 Å²	88	125.3 Å²	125.3	73%	0.727	69%	0.694	S	S	*	*	H	α-helix	trans	-77.8	-19.9	177.1	0	0	0	0	0	114.3	S7 A8	S7-A11 PolarHBondContact O-N 3.12Å; A8-A11 PolarHBondContact O-N 2.9Å
12	A	65.7	Low	60.3	Low	78 Å²	78	120.6 Å²	120.6	65%	0.645	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-0.4	179.4	0	0	0	0	0	113.6	A8 L9 P14	A8-A12 PolarHBondContact O-N 3.4Å; L9-A12 PolarHBondContact O-N 3.01Å; A12-P14 WeakPolarHBondContact O-CD 3.29Å
13	Q	61.1	Low	60.2	Low	131 Å²	131	119 Å²	119	61%	0.612	66%	0.663	S	S	*	*	S	Bend	trans	-71.2	121.2	173.2	-74.8	-90.6	-52.3	0	0	109
14	P	54.4	Low	59.2	Low	89 Å²	89	113.8 Å²	113.8	58%	0.578	65%	0.651	S	S	*	*			trans	-64	137.6	174.6	25.3	-30.9	0	0	0	110.1	A12 D16 A17	A12-P14 WeakPolarHBondContact O-CD 3.29Å; P14-D16 PolarHBondContact O-N 3.49Å; P14-A17 WeakPolarHBondContact O-CB 3.11Å; P14-A17 PolarHBondContact O-N 3.06Å
15	E	57.5	Low	58.5	Low	192 Å²	192	114.4 Å²	114.4	90%	0.897	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-13.9	180	-65.6	-105.4	137.4	0	0	113.5
16	D	52	Low	57	Low	146 Å²	146	115.1 Å²	115.1	78%	0.781	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	12.1	177.3	-63.5	-32.8	0	0	0	114.2	P14 S18	P14-D16 PolarHBondContact O-N 3.49Å; D16-S18 PolarHBondContact O-N 2.92Å
17	A	53.1	Low	55.7	Low	34 Å²	34	116.7 Å²	116.7	28%	0.281	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-75.6	1.8	177.7	0	0	0	0	0	114.3	P14 D19 L20	P14-A17 WeakPolarHBondContact O-CB 3.11Å; P14-A17 PolarHBondContact O-N 3.06Å; A17-D19 PolarHBondContact O-N 3.18Å; A17-L20 HydrophobicContact CB-CD1 4.37Å; A17-L20 PolarHBondContact O-N 3.39Å
18	S	51.7	Low	54.4	Low	101 Å²	101	116.6 Å²	116.6	71%	0.706	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-69.2	-10.9	-178.4	49.2	0	0	0	0	115	D16	D16-S18 PolarHBondContact O-N 2.92Å
19	D	52.2	Low	53.4	Low	151 Å²	151	116.8 Å²	116.8	81%	0.807	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-105.7	8.9	179.7	-81.8	-24.3	0	0	0	114.2	A17	A17-D19 PolarHBondContact O-N 3.18Å
20	L	54.9	Low	52.9	Low	131 Å²	131	114.6 Å²	114.6	69%	0.686	67%	0.669	S	S	*	*	S	Bend	trans	-76	126.9	168.4	-78	155.3	0	0	0	108.3	A17 D22	A17-L20 HydrophobicContact CB-CD1 4.37Å; A17-L20 PolarHBondContact O-N 3.39Å; L20-D22 PolarHBondContact O-N 2.99Å
21	P	47.3	Very low	52.9	Low	103 Å²	103	111.3 Å²	111.3	67%	0.669	66%	0.662	S	S	*	*			trans	-56.2	122.2	173.4	24.6	-31.4	0	0	0	106.8	T23	P21-T23 PolarHBondContact O-N 3.14Å; P21-T23 PolarHBondContact O-OG1 3.3Å; P21-T23 VanDerWaalsContact O-OG1 3.05Å
22	D	43.7	Very low	53.3	Low	139 Å²	139	112 Å²	112	74%	0.743	65%	0.647	S	S	*	*			trans	-54.6	90.8	175.4	-176	23.1	0	0	0	107.5	L20 S24	L20-D22 PolarHBondContact O-N 2.99Å; D22-S24 PolarHBondContact O-N 3.13Å
23	T	43.9	Very low	54.2	Low	114 Å²	114	109.3 Å²	109.3	70%	0.699	62%	0.621	S	S	*	*			trans	-83.3	63.6	173.3	-46.6	0	0	0	0	104.5	P21 L25	P21-T23 PolarHBondContact O-N 3.14Å; P21-T23 PolarHBondContact O-OG1 3.3Å; P21-T23 VanDerWaalsContact O-OG1 3.05Å; T23-L25 PolarHBondContact O-N 3.1Å
24	S	41.1	Very low	55.5	Low	79 Å²	79	106.8 Å²	106.8	55%	0.552	61%	0.612	S	S	*	*			trans	-60.1	93.8	157.6	42.2	0	0	0	0	104.9	D22 P26	D22-S24 PolarHBondContact O-N 3.13Å; S24-P26 WeakPolarHBondContact O-CD 3.26Å; S24-P26 VanDerWaalsContact O-N 3.09Å
25	L	52.3	Low	57.2	Low	129 Å²	129	108.9 Å²	108.9	68%	0.675	62%	0.618	S	S	*	*			trans	-50.7	118.7	158.2	-78.7	158.4	0	0	0	104.4	T23 L27	T23-L25 PolarHBondContact O-N 3.1Å; L25-L27 HydrophobicContact CB-CG 4.29Å; L25-L27 PolarHBondContact O-N 3.13Å
26	P	41.4	Very low	58.9	Low	128 Å²	128	100 Å²	100	83%	0.831	58%	0.576	S	S	*	*			trans	-71.8	74.1	171.9	27.5	-25.7	0	0	0	106.6	S24 D28	S24-P26 WeakPolarHBondContact O-CD 3.26Å; S24-P26 VanDerWaalsContact O-N 3.09Å; P26-D28 PolarHBondContact O-N 3.12Å
27	L	46.1	Very low	60.8	Low	148 Å²	148	96.5 Å²	96.5	78%	0.775	55%	0.554	S	S	*	*			trans	-73.4	77.9	156.7	-68.9	171.1	0	0	0	104.6	L25 G29	L25-L27 HydrophobicContact CB-CG 4.29Å; L25-L27 PolarHBondContact O-N 3.13Å; L27-G29 PolarHBondContact O-N 3.5Å
28	D	44.1	Very low	62.8	Low	84 Å²	84	98.4 Å²	98.4	45%	0.449	57%	0.565	S	S	.	*			trans	-67.5	73	149.8	-173.3	11.5	0	0	0	106.4	P26 S30 Q31	P26-D28 PolarHBondContact O-N 3.12Å; D28-S30 PolarHBondContact O-N 3.17Å; D28-S30 WeakPolarHBondContact OD1-CB 3.49Å; D28-S30 PolarHBondContact OD1-N 3.35Å; D28-S30 PolarHBondContact OD1-OG 3.06Å; D28-Q31 PolarHBondContact O-N 3.26Å; D28-Q31 VanDerWaalsContact O-N 3.11Å; D28-Q31 PolarHBondContact OD2-NE2 3.28Å
29	G	52	Low	64.8	Low	59 Å²	59	96.4 Å²	96.4	61%	0.608	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-7.9	-179.4	0	0	0	0	0	112.2	L27 Q31	L27-G29 PolarHBondContact O-N 3.5Å; G29-Q31 VanDerWaalsContact C-N 3.35Å
30	S	56.9	Low	66.9	Low	78 Å²	78	89.2 Å²	89.2	55%	0.545	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.1	175.4	84.4	0	0	0	0	114.1	D28 N34	D28-S30 PolarHBondContact O-N 3.17Å; D28-S30 WeakPolarHBondContact OD1-CB 3.49Å; D28-S30 PolarHBondContact OD1-N 3.35Å; D28-S30 PolarHBondContact OD1-OG 3.06Å; S30-N34 PolarHBondContact O-ND2 2.96Å; S30-N34 PolarHBondContact O-OD1 3.44Å
31	Q	70.9	Confident	68.8	Low	135 Å²	135	88.5 Å²	88.5	63%	0.631	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-8.7	-177.5	-75.8	-175.1	63.4	0	0	115.3	D28 G29 M33	D28-Q31 PolarHBondContact O-N 3.26Å; D28-Q31 VanDerWaalsContact O-N 3.11Å; D28-Q31 PolarHBondContact OD2-NE2 3.28Å; G29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-M33 PolarHBondContact O-N 3.23Å
32	Y	77.6	Confident	71.2	Confident	104 Å²	104	87.7 Å²	87.7	41%	0.408	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	113.7	-175.3	177.6	-106	0	0	0	111.6	N34 D115 I118	Y32-N34 PolarHBondContact O-N 3.13Å; Y32-N34 VanDerWaalsContact O-N 3.07Å; Y32-D115 WeakPolarHBondContact CE2-OD1 3.34Å; Y32-D115 VanDerWaalsContact CZ-OD1 3.24Å; Y32-D115 PolarHBondContact OH-OD1 3.44Å; Y32-I118 HydrophobicContact CE1-CD1 4.13Å; Y32-I118 WeakPolarHBondContact OH-CD1 3.39Å
33	M	84.1	Confident	73.7	Confident	21 Å²	21	81.1 Å²	81.1	10%	0.103	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	20.3	174.9	-67.6	-77.6	-79.2	0	0	114.9	Q31 D35 F36 F37 D115 R119	Q31-M33 PolarHBondContact O-N 3.23Å; M33-D35 PolarHBondContact O-N 2.88Å; M33-F36 HydrophobicContact CE-CB 4.01Å; M33-F36 HydrophobicContact CE-CD1 3.6Å; M33-F36 HydrophobicContact CE-CE1 4.29Å; M33-F36 HydrophobicContact CE-CG 3.84Å; M33-F36 WeakPolarHBondContact O-CB 3.39Å; M33-F36 PolarHBondContact O-N 3.19Å; M33-F36 HydrophobicContact SD-CB 4.44Å; M33-F37 HydrophobicContact CB-CD2 3.79Å; M33-F37 HydrophobicContact CB-CE2 3.5Å; M33-F37 VanDerWaalsContact CB-CE2 3.5Å; M33-F37 HydrophobicContact CB-CZ 4.26Å; M33-F37 WeakPolarHBondContact O-CD2 3.28Å; M33-F37 PolarHBondContact O-N 3.32Å; M33-D115 HydrophobicContact CE-CB 4.11Å; M33-D115 HydrophobicContact SD-CB 4.03Å; M33-R119 HydrophobicContact CE-CG 3.71Å; M33-R119 PolarHBondContact SD-NH2 3.07Å
34	N	89.1	Confident	76.3	Confident	78 Å²	78	80 Å²	80	42%	0.417	44%	0.435	S	S	.	.	H	α-helix	trans	-54.4	-48	-176.4	-83.5	0.4	0	0	0	113.7	S30 Y32 F36 F37 S38	S30-N34 PolarHBondContact O-ND2 2.96Å; S30-N34 PolarHBondContact O-OD1 3.44Å; Y32-N34 PolarHBondContact O-N 3.13Å; Y32-N34 VanDerWaalsContact O-N 3.07Å; N34-F36 PolarHBondContact O-N 3.45Å; N34-F37 PolarHBondContact O-N 3.25Å; N34-S38 VanDerWaalsContact O-CB 3.32Å; N34-S38 WeakPolarHBondContact O-CB 3.44Å; N34-S38 PolarHBondContact O-N 3.32Å
35	D	89.5	Confident	79	Confident	132 Å²	132	80.2 Å²	80.2	71%	0.706	43%	0.43	S	S	*	.	H	α-helix	trans	-62.1	-34.2	-179.3	-67.2	-10.3	0	0	0	111.6	M33 Q39	M33-D35 PolarHBondContact O-N 2.88Å; D35-Q39 VanDerWaalsContact O-CG 3.29Å; D35-Q39 WeakPolarHBondContact O-CG 3.43Å; D35-Q39 PolarHBondContact O-N 3.49Å; D35-Q39 VanDerWaalsContact O-N 3.16Å; D35-Q39 PolarHBondContact O-NE2 3.27Å
36	F	92	Very high	81.1	Confident	5 Å²	5	75.3 Å²	75.3	2%	0.022	40%	0.404	C	S	.	.	H	α-helix	trans	-71.9	-46.5	176.2	172.5	-103.2	0	0	0	111.4	M33 N34 S38 Q39 V40 M99 I118 R119 Q122	M33-F36 HydrophobicContact CE-CB 4.01Å; M33-F36 HydrophobicContact CE-CD1 3.6Å; M33-F36 HydrophobicContact CE-CE1 4.29Å; M33-F36 HydrophobicContact CE-CG 3.84Å; M33-F36 WeakPolarHBondContact O-CB 3.39Å; M33-F36 PolarHBondContact O-N 3.19Å; M33-F36 HydrophobicContact SD-CB 4.44Å; N34-F36 PolarHBondContact O-N 3.45Å; F36-S38 VanDerWaalsContact C-N 3.31Å; F36-S38 PolarHBondContact O-N 3.16Å; F36-Q39 PolarHBondContact O-N 2.63Å; F36-V40 HydrophobicContact CD1-CG2 4.32Å; F36-V40 HydrophobicContact CD2-CG2 4.43Å; F36-V40 HydrophobicContact CE1-CG2 3.77Å; F36-V40 HydrophobicContact CE2-CG2 3.89Å; F36-V40 HydrophobicContact CZ-CG2 3.51Å; F36-V40 WeakPolarHBondContact O-CG2 3.4Å; F36-V40 PolarHBondContact O-N 2.91Å; F36-M99 HydrophobicContact CE2-CE 3.81Å; F36-M99 HydrophobicContact CE2-CG 4.14Å; F36-M99 HydrophobicContact CE2-SD 3.89Å; F36-M99 HydrophobicContact CZ-CE 4.41Å; F36-M99 HydrophobicContact CZ-SD 4.29Å; F36-I118 HydrophobicContact CE1-CG2 4.03Å; F36-R119 HydrophobicContact CD1-CG 4.41Å; F36-R119 HydrophobicContact CD2-CG 4.02Å; F36-R119 HydrophobicContact CE1-CG 4.18Å; F36-R119 HydrophobicContact CE2-CB 4.17Å; F36-R119 HydrophobicContact CE2-CG 3.76Å; F36-R119 HydrophobicContact CG-CG 4.33Å; F36-R119 HydrophobicContact CZ-CB 4.08Å; F36-R119 HydrophobicContact CZ-CG 3.86Å; F36-Q122 HydrophobicContact CE1-CB 4.11Å; F36-Q122 HydrophobicContact CE1-CG 3.89Å; F36-Q122 HydrophobicContact CZ-CB 3.75Å; F36-Q122 HydrophobicContact CZ-CG 4.08Å
37	F	93.8	Very high	83.8	Confident	74 Å²	74	69.3 Å²	69.3	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-35.9	177.8	-69.9	-55.4	0	0	0	112.3	M33 N34 V40 E41 I118	M33-F37 HydrophobicContact CB-CD2 3.79Å; M33-F37 HydrophobicContact CB-CE2 3.5Å; M33-F37 VanDerWaalsContact CB-CE2 3.5Å; M33-F37 HydrophobicContact CB-CZ 4.26Å; M33-F37 WeakPolarHBondContact O-CD2 3.28Å; M33-F37 PolarHBondContact O-N 3.32Å; N34-F37 PolarHBondContact O-N 3.25Å; F37-V40 WeakPolarHBondContact O-CB 3.48Å; F37-V40 PolarHBondContact O-N 2.78Å; F37-E41 WeakPolarHBondContact O-CB 3.2Å; F37-E41 PolarHBondContact O-N 3.45Å; F37-I118 HydrophobicContact CE1-CG2 3.93Å; F37-I118 HydrophobicContact CZ-CG2 3.95Å
38	S	93.9	Very high	86.3	Confident	73 Å²	73	68.1 Å²	68.1	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-43.7	173.2	-177.4	0	0	0	0	111.7	N34 F36 V40 E41 E42	N34-S38 VanDerWaalsContact O-CB 3.32Å; N34-S38 WeakPolarHBondContact O-CB 3.44Å; N34-S38 PolarHBondContact O-N 3.32Å; F36-S38 VanDerWaalsContact C-N 3.31Å; F36-S38 PolarHBondContact O-N 3.16Å; S38-V40 PolarHBondContact O-N 3.19Å; S38-E41 PolarHBondContact O-N 3.17Å; S38-E42 WeakPolarHBondContact O-CB 3.38Å; S38-E42 PolarHBondContact O-N 3.23Å
39	Q	94	Very high	88.9	Confident	59 Å²	59	69.2 Å²	69.2	28%	0.276	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-42	173.4	-75.8	170.9	72.4	0	0	112.2	D35 F36 E42 I43	D35-Q39 VanDerWaalsContact O-CG 3.29Å; D35-Q39 WeakPolarHBondContact O-CG 3.43Å; D35-Q39 PolarHBondContact O-N 3.49Å; D35-Q39 VanDerWaalsContact O-N 3.16Å; D35-Q39 PolarHBondContact O-NE2 3.27Å; F36-Q39 PolarHBondContact O-N 2.63Å; Q39-E42 PolarHBondContact O-N 3.41Å; Q39-I43 VanDerWaalsContact O-CG1 3.25Å; Q39-I43 WeakPolarHBondContact O-CG1 3.31Å; Q39-I43 PolarHBondContact O-N 2.69Å
40	V	95.6	Very high	91	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-45.7	176.4	160.4	0	0	0	0	111.3	F36 F37 S38 I43 R44 M99 Q122 I126	F36-V40 HydrophobicContact CD1-CG2 4.32Å; F36-V40 HydrophobicContact CD2-CG2 4.43Å; F36-V40 HydrophobicContact CE1-CG2 3.77Å; F36-V40 HydrophobicContact CE2-CG2 3.89Å; F36-V40 HydrophobicContact CZ-CG2 3.51Å; F36-V40 WeakPolarHBondContact O-CG2 3.4Å; F36-V40 PolarHBondContact O-N 2.91Å; F37-V40 WeakPolarHBondContact O-CB 3.48Å; F37-V40 PolarHBondContact O-N 2.78Å; S38-V40 PolarHBondContact O-N 3.19Å; V40-I43 PolarHBondContact O-N 3.46Å; V40-R44 WeakPolarHBondContact O-CG 3.16Å; V40-R44 PolarHBondContact O-N 2.87Å; V40-M99 HydrophobicContact CG2-CE 3.76Å; V40-Q122 HydrophobicContact CG2-CB 4.12Å; V40-Q122 HydrophobicContact CG2-CG 4.48Å; V40-I126 HydrophobicContact CB-CD1 4.11Å; V40-I126 HydrophobicContact CG1-CD1 3.68Å; V40-I126 HydrophobicContact CG2-CD1 3.88Å
41	E	96.2	Very high	92.9	Very high	116 Å²	116	65.4 Å²	65.4	54%	0.542	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-41.7	177.7	-172.7	174.8	-172	0	0	111.5	F37 S38 I43 R44 N45	F37-E41 WeakPolarHBondContact O-CB 3.2Å; F37-E41 PolarHBondContact O-N 3.45Å; S38-E41 PolarHBondContact O-N 3.17Å; E41-I43 PolarHBondContact O-N 3.02Å; E41-R44 PolarHBondContact O-N 3.34Å; E41-N45 WeakPolarHBondContact O-CB 3.37Å; E41-N45 VanDerWaalsContact O-CG 3.25Å; E41-N45 PolarHBondContact O-N 3.03Å; E41-N45 PolarHBondContact O-ND2 2.85Å
42	E	96.7	Very high	94.2	Very high	86 Å²	86	62.1 Å²	62.1	40%	0.402	30%	0.303	S	S	.	.	H	α-helix	trans	-58.5	-46.6	173.9	-169	-169.9	170.1	0	0	111.5	S38 Q39 R44 N45 L46 K95	S38-E42 WeakPolarHBondContact O-CB 3.38Å; S38-E42 PolarHBondContact O-N 3.23Å; Q39-E42 PolarHBondContact O-N 3.41Å; E42-R44 PolarHBondContact O-N 3.29Å; E42-N45 PolarHBondContact O-N 3.02Å; E42-L46 VanDerWaalsContact O-CG 3.28Å; E42-L46 WeakPolarHBondContact O-CG 3.44Å; E42-L46 PolarHBondContact O-N 3.45Å; E42-K95 WeakPolarHBondContact OE1-CE 3.25Å; E42-K95 IonicContact OE1-NZ 3.97Å; E42-K95 PolarHBondContact OE1-NZ 2.78Å; E42-K95 WeakPolarHBondContact OE2-CE 3.42Å; E42-K95 IonicContact OE2-NZ 2.92Å; E42-K95 PolarHBondContact OE2-NZ 2.89Å
43	I	96.8	Very high	95.2	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-41.4	178.3	-60.3	161.7	0	0	0	111	Q39 V40 E41 L46 I47 V92 K95 M99 I126	Q39-I43 VanDerWaalsContact O-CG1 3.25Å; Q39-I43 WeakPolarHBondContact O-CG1 3.31Å; Q39-I43 PolarHBondContact O-N 2.69Å; V40-I43 PolarHBondContact O-N 3.46Å; E41-I43 PolarHBondContact O-N 3.02Å; I43-L46 WeakPolarHBondContact O-CB 3.1Å; I43-L46 PolarHBondContact O-N 2.91Å; I43-I47 HydrophobicContact CG2-CD1 3.95Å; I43-I47 HydrophobicContact CG2-CG1 4.4Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.44Å; I43-V92 HydrophobicContact CG2-CG1 3.91Å; I43-V92 HydrophobicContact CG2-CG2 4.49Å; I43-K95 HydrophobicContact CD1-CB 3.76Å; I43-K95 HydrophobicContact CG1-CB 3.71Å; I43-K95 HydrophobicContact CG1-CD 3.67Å; I43-K95 HydrophobicContact CG1-CG 4.34Å; I43-M99 HydrophobicContact CD1-CE 3.61Å; I43-I126 HydrophobicContact CB-CG2 4.21Å; I43-I126 HydrophobicContact CG2-CG2 3.37Å
44	R	97.4	Very high	95.8	Very high	89 Å²	89	56.4 Å²	56.4	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-47.7	176.1	-77.3	179.1	171.2	135.7	5.6	112.1	V40 E41 E42 L46 I47 E48	V40-R44 WeakPolarHBondContact O-CG 3.16Å; V40-R44 PolarHBondContact O-N 2.87Å; E41-R44 PolarHBondContact O-N 3.34Å; E42-R44 PolarHBondContact O-N 3.29Å; R44-L46 VanDerWaalsContact C-N 3.26Å; R44-L46 PolarHBondContact O-N 3.2Å; R44-I47 PolarHBondContact O-N 2.57Å; R44-I47 VanDerWaalsContact O-N 3.09Å; R44-E48 WeakPolarHBondContact O-CG 3.35Å; R44-E48 PolarHBondContact O-N 3.38Å
45	N	98	Very high	96.2	Very high	84 Å²	84	55.9 Å²	55.9	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-37.6	177.6	-70.1	-26.3	0	0	0	111.9	E41 E42 R49	E41-N45 WeakPolarHBondContact O-CB 3.37Å; E41-N45 VanDerWaalsContact O-CG 3.25Å; E41-N45 PolarHBondContact O-N 3.03Å; E41-N45 PolarHBondContact O-ND2 2.85Å; E42-N45 PolarHBondContact O-N 3.02Å; N45-R49 WeakPolarHBondContact O-CB 3.48Å; N45-R49 PolarHBondContact O-N 3.06Å
46	L	97.9	Very high	96.5	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-44.2	173.6	-69.4	171.3	0	0	0	111.6	E42 I43 R44 R49 V50 I88 R91 V92 K95	E42-L46 VanDerWaalsContact O-CG 3.28Å; E42-L46 WeakPolarHBondContact O-CG 3.44Å; E42-L46 PolarHBondContact O-N 3.45Å; I43-L46 WeakPolarHBondContact O-CB 3.1Å; I43-L46 PolarHBondContact O-N 2.91Å; R44-L46 VanDerWaalsContact C-N 3.26Å; R44-L46 PolarHBondContact O-N 3.2Å; L46-R49 WeakPolarHBondContact O-CB 3.36Å; L46-R49 PolarHBondContact O-N 3.07Å; L46-V50 WeakPolarHBondContact O-CG2 2.89Å; L46-V50 PolarHBondContact O-N 3.3Å; L46-I88 HydrophobicContact CB-CG2 3.77Å; L46-I88 HydrophobicContact CD2-CG2 3.92Å; L46-I88 HydrophobicContact CG-CG2 4.38Å; L46-I88 WeakPolarHBondContact O-CG2 3.4Å; L46-R91 HydrophobicContact CD1-CB 4.4Å; L46-V92 HydrophobicContact CB-CG2 3.53Å; L46-V92 HydrophobicContact CD1-CG2 4.15Å; L46-V92 HydrophobicContact CG-CG2 4.48Å; L46-K95 HydrophobicContact CD1-CD 4.14Å
47	I	97.3	Very high	96.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-43.8	177.2	-66.8	167.8	0	0	0	111.1	I43 R44 R49 V50 Q51 V92 I126 F130 V133	I43-I47 HydrophobicContact CG2-CD1 3.95Å; I43-I47 HydrophobicContact CG2-CG1 4.4Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.44Å; R44-I47 PolarHBondContact O-N 2.57Å; R44-I47 VanDerWaalsContact O-N 3.09Å; I47-R49 VanDerWaalsContact C-N 3.29Å; I47-R49 PolarHBondContact O-N 3.2Å; I47-V50 WeakPolarHBondContact O-CB 3.25Å; I47-V50 PolarHBondContact O-N 3.33Å; I47-V50 VanDerWaalsContact O-N 3.13Å; I47-Q51 PolarHBondContact O-N 3Å; I47-V92 HydrophobicContact CD1-CG1 4.31Å; I47-V92 HydrophobicContact CG1-CG1 4.06Å; I47-V92 HydrophobicContact CG1-CG2 4.16Å; I47-I126 HydrophobicContact CD1-CG2 3.57Å; I47-F130 HydrophobicContact CD1-CB 3.85Å; I47-F130 HydrophobicContact CG1-CB 4.23Å; I47-F130 HydrophobicContact CG1-CD2 4.14Å; I47-V133 HydrophobicContact CG2-CB 4.47Å; I47-V133 HydrophobicContact CG2-CG2 3.73Å
48	E	98.1	Very high	96.9	Very high	123 Å²	123	52 Å²	52	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-60.5	-39.5	175.2	-72.8	177.9	-170.1	0	0	111.8	R44 Q51 S52	R44-E48 WeakPolarHBondContact O-CG 3.35Å; R44-E48 PolarHBondContact O-N 3.38Å; E48-Q51 PolarHBondContact O-N 3.11Å; E48-S52 PolarHBondContact O-N 2.68Å
49	R	98.1	Very high	96.9	Very high	107 Å²	107	53.4 Å²	53.4	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-42.5	173.5	179.9	59.2	178.1	167.2	2.6	111.7	N45 L46 I47 S52 L53 E84 I88	N45-R49 WeakPolarHBondContact O-CB 3.48Å; N45-R49 PolarHBondContact O-N 3.06Å; L46-R49 WeakPolarHBondContact O-CB 3.36Å; L46-R49 PolarHBondContact O-N 3.07Å; I47-R49 VanDerWaalsContact C-N 3.29Å; I47-R49 PolarHBondContact O-N 3.2Å; R49-S52 PolarHBondContact O-N 3.04Å; R49-L53 HydrophobicContact CG-CD1 4.15Å; R49-L53 VanDerWaalsContact O-CG 3.31Å; R49-L53 WeakPolarHBondContact O-CG 3.18Å; R49-L53 PolarHBondContact O-N 2.67Å; R49-E84 IonicContact CZ-OE1 2.64Å; R49-E84 VanDerWaalsContact CZ-OE1 3.23Å; R49-E84 IonicContact CZ-OE2 3.19Å; R49-E84 IonicContact NE-OE1 2.94Å; R49-E84 PolarHBondContact NE-OE1 3.43Å; R49-E84 VanDerWaalsContact NH2-CD 3.26Å; R49-E84 IonicContact NH2-OE1 3.99Å; R49-E84 PolarHBondContact NH2-OE1 3.2Å; R49-E84 IonicContact NH2-OE2 2.63Å; R49-E84 PolarHBondContact NH2-OE2 2.84Å; R49-I88 HydrophobicContact CB-CD1 4.15Å; R49-I88 HydrophobicContact CG-CD1 3.38Å
50	V	97.1	Very high	96.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-47.3	174.2	177.9	0	0	0	0	110.4	L46 I47 S52 L53 V54 I85 I88 V133 M134	L46-V50 WeakPolarHBondContact O-CG2 2.89Å; L46-V50 PolarHBondContact O-N 3.3Å; I47-V50 WeakPolarHBondContact O-CB 3.25Å; I47-V50 PolarHBondContact O-N 3.33Å; I47-V50 VanDerWaalsContact O-N 3.13Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 2.76Å; V50-L53 CarbonylContact O-C 3.57Å; V50-L53 WeakPolarHBondContact O-CB 3.21Å; V50-L53 PolarHBondContact O-N 3.44Å; V50-V54 HydrophobicContact CG1-CG2 4.09Å; V50-V54 VanDerWaalsContact O-CG2 3.31Å; V50-V54 WeakPolarHBondContact O-CG2 3.46Å; V50-V54 PolarHBondContact O-N 3.44Å; V50-I85 HydrophobicContact CG1-CG1 4.49Å; V50-I85 HydrophobicContact CG1-CG2 4.13Å; V50-I88 HydrophobicContact CG2-CB 3.82Å; V50-I88 HydrophobicContact CG2-CG2 3.38Å; V50-V133 HydrophobicContact CB-CG1 4.08Å; V50-V133 HydrophobicContact CG1-CG1 3.59Å; V50-M134 HydrophobicContact CG1-SD 4.04Å
51	Q	97.7	Very high	96.8	Very high	57 Å²	57	52.7 Å²	52.7	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-56.8	-46	179	-175.6	61.8	54.5	0	0	111.7	I47 E48 L53 V54 D55 V133 D136	I47-Q51 PolarHBondContact O-N 3Å; E48-Q51 PolarHBondContact O-N 3.11Å; Q51-L53 VanDerWaalsContact C-N 3.31Å; Q51-L53 PolarHBondContact O-N 2.61Å; Q51-V54 WeakPolarHBondContact O-CB 3.39Å; Q51-V54 PolarHBondContact O-N 3.45Å; Q51-D55 PolarHBondContact O-N 3.43Å; Q51-V133 HydrophobicContact CB-CG1 4.18Å; Q51-V133 HydrophobicContact CB-CG2 4.37Å; Q51-D136 PolarHBondContact NE2-OD2 3.32Å
52	S	98.2	Very high	96.7	Very high	65 Å²	65	50.5 Å²	50.5	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-38.6	176.1	176.7	0	0	0	0	112.8	E48 R49 V50 N56	E48-S52 PolarHBondContact O-N 2.68Å; R49-S52 PolarHBondContact O-N 3.04Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 2.76Å; S52-N56 PolarHBondContact O-N 2.94Å; S52-N56 VanDerWaalsContact O-N 3.08Å
53	L	97.6	Very high	96.5	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-69.7	-37.3	175.8	-70	165.3	0	0	0	112	R49 V50 Q51 D55 N56 V57 A81 E84 I85 I88	R49-L53 HydrophobicContact CG-CD1 4.15Å; R49-L53 VanDerWaalsContact O-CG 3.31Å; R49-L53 WeakPolarHBondContact O-CG 3.18Å; R49-L53 PolarHBondContact O-N 2.67Å; V50-L53 CarbonylContact O-C 3.57Å; V50-L53 WeakPolarHBondContact O-CB 3.21Å; V50-L53 PolarHBondContact O-N 3.44Å; Q51-L53 VanDerWaalsContact C-N 3.31Å; Q51-L53 PolarHBondContact O-N 2.61Å; L53-D55 VanDerWaalsContact C-N 3.31Å; L53-D55 PolarHBondContact O-N 3.1Å; L53-N56 WeakPolarHBondContact O-CB 3.35Å; L53-N56 PolarHBondContact O-N 3.2Å; L53-N56 VanDerWaalsContact O-N 3.17Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.42Å; L53-A81 HydrophobicContact CD2-CB 4.32Å; L53-E84 HydrophobicContact CD1-CB 3.92Å; L53-E84 HydrophobicContact CD1-CG 3.63Å; L53-E84 WeakPolarHBondContact CD2-OE2 3.41Å; L53-I85 HydrophobicContact CB-CD1 3.79Å; L53-I85 HydrophobicContact CB-CG1 3.47Å; L53-I85 VanDerWaalsContact CB-CG1 3.47Å; L53-I85 HydrophobicContact CD1-CG1 3.95Å; L53-I85 HydrophobicContact CG-CG1 4.34Å; L53-I88 HydrophobicContact CD1-CD1 3.94Å
54	V	97.1	Very high	96.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-42.4	175.1	171	0	0	0	0	110.6	V50 Q51 N56 V57 K58 I85 V133 Y137	V50-V54 HydrophobicContact CG1-CG2 4.09Å; V50-V54 VanDerWaalsContact O-CG2 3.31Å; V50-V54 WeakPolarHBondContact O-CG2 3.46Å; V50-V54 PolarHBondContact O-N 3.44Å; Q51-V54 WeakPolarHBondContact O-CB 3.39Å; Q51-V54 PolarHBondContact O-N 3.45Å; V54-N56 VanDerWaalsContact C-N 3.34Å; V54-V57 WeakPolarHBondContact O-CB 3.44Å; V54-V57 PolarHBondContact O-N 3.4Å; V54-K58 WeakPolarHBondContact O-CG 3.27Å; V54-K58 PolarHBondContact O-N 3.5Å; V54-I85 HydrophobicContact CG2-CD1 4.07Å; V54-V133 HydrophobicContact CG2-CG1 4.49Å; V54-Y137 HydrophobicContact CG2-CD2 3.87Å; V54-Y137 HydrophobicContact CG2-CG 3.96Å
55	D	97.4	Very high	95.8	Very high	68 Å²	68	47.4 Å²	47.4	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-37.4	174.9	-66.6	-29.9	0	0	0	112	Q51 L53 K58 N59	Q51-D55 PolarHBondContact O-N 3.43Å; L53-D55 VanDerWaalsContact C-N 3.31Å; L53-D55 PolarHBondContact O-N 3.1Å; D55-K58 PolarHBondContact O-N 2.84Å; D55-K58 IonicContact OD1-NZ 2.71Å; D55-N59 VanDerWaalsContact O-CG 3.3Å; D55-N59 PolarHBondContact O-N 3.26Å; D55-N59 VanDerWaalsContact O-N 3.08Å; D55-N59 PolarHBondContact O-ND2 3.34Å
56	N	96.3	Very high	95.3	Very high	63 Å²	63	47.7 Å²	47.7	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-47.4	171.7	-169.4	-12.3	0	0	0	111.3	S52 L53 V54 K58 N59 K60	S52-N56 PolarHBondContact O-N 2.94Å; S52-N56 VanDerWaalsContact O-N 3.08Å; L53-N56 WeakPolarHBondContact O-CB 3.35Å; L53-N56 PolarHBondContact O-N 3.2Å; L53-N56 VanDerWaalsContact O-N 3.17Å; V54-N56 VanDerWaalsContact C-N 3.34Å; N56-K58 VanDerWaalsContact C-N 3.34Å; N56-K58 PolarHBondContact O-N 3Å; N56-N59 WeakPolarHBondContact O-CB 3.47Å; N56-N59 PolarHBondContact O-N 2.92Å; N56-N59 VanDerWaalsContact O-N 3.11Å; N56-K60 WeakPolarHBondContact O-CG 3.5Å; N56-K60 PolarHBondContact O-N 3.32Å; N56-K60 WeakPolarHBondContact OD1-CE 3.47Å; N56-K60 WeakPolarHBondContact OD1-CG 3.39Å
57	V	96.3	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-46.4	176.1	166.5	0	0	0	0	111.2	L53 V54 N59 K60 H61 L78 A81 M82 I85 Y137	L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.42Å; V54-V57 WeakPolarHBondContact O-CB 3.44Å; V54-V57 PolarHBondContact O-N 3.4Å; V57-N59 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.28Å; V57-K60 PolarHBondContact O-N 3.14Å; V57-H61 WeakPolarHBondContact CG1-NE2 3.28Å; V57-H61 WeakPolarHBondContact O-CB 3.42Å; V57-H61 PolarHBondContact O-CD2 3.17Å; V57-H61 VanDerWaalsContact O-CG 3.26Å; V57-H61 PolarHBondContact O-N 3.17Å; V57-L78 HydrophobicContact CB-CD1 4.23Å; V57-L78 HydrophobicContact CG1-CD1 3.84Å; V57-L78 HydrophobicContact CG2-CD1 4.03Å; V57-A81 HydrophobicContact CG2-CB 3.92Å; V57-M82 HydrophobicContact CG2-CG 4.33Å; V57-I85 HydrophobicContact CG2-CD1 3.79Å; V57-Y137 HydrophobicContact CG1-CE2 4.27Å; V57-Y137 HydrophobicContact CG2-CE2 4.46Å
58	K	96.5	Very high	93.4	Very high	67 Å²	67	53.3 Å²	53.3	29%	0.291	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-43.7	175.9	-72.3	170.5	-178.4	170.6	0	112.2	V54 D55 N56 H61 S62 D136 A140	V54-K58 WeakPolarHBondContact O-CG 3.27Å; V54-K58 PolarHBondContact O-N 3.5Å; D55-K58 PolarHBondContact O-N 2.84Å; D55-K58 IonicContact OD1-NZ 2.71Å; N56-K58 VanDerWaalsContact C-N 3.34Å; N56-K58 PolarHBondContact O-N 3Å; K58-H61 PolarHBondContact O-N 2.99Å; K58-S62 PolarHBondContact O-N 3.33Å; K58-S62 VanDerWaalsContact O-N 3.08Å; K58-D136 IonicContact NZ-OD1 3.41Å; K58-D136 PolarHBondContact NZ-OD1 3.45Å; K58-D136 IonicContact NZ-OD2 3.77Å; K58-D136 PolarHBondContact NZ-OD2 2.85Å; K58-A140 HydrophobicContact CD-CB 4.43Å; K58-A140 HydrophobicContact CG-CB 3.72Å
59	N	95.2	Very high	92.3	Very high	101 Å²	101	53.2 Å²	53.2	54%	0.54	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-45.9	177.1	-68.1	-30.2	0	0	0	111.3	D55 N56 V57 H61 S62 D63	D55-N59 VanDerWaalsContact O-CG 3.3Å; D55-N59 PolarHBondContact O-N 3.26Å; D55-N59 VanDerWaalsContact O-N 3.08Å; D55-N59 PolarHBondContact O-ND2 3.34Å; N56-N59 WeakPolarHBondContact O-CB 3.47Å; N56-N59 PolarHBondContact O-N 2.92Å; N56-N59 VanDerWaalsContact O-N 3.11Å; V57-N59 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.28Å; N59-H61 PolarHBondContact O-N 3.43Å; N59-S62 WeakPolarHBondContact O-CA 3.47Å; N59-S62 WeakPolarHBondContact O-CB 3.45Å; N59-S62 PolarHBondContact O-N 2.91Å; N59-S62 VanDerWaalsContact O-N 3.1Å; N59-D63 PolarHBondContact O-N 2.99Å
60	K	93.9	Very high	91	Very high	35 Å²	35	51.2 Å²	51.2	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-37.4	178.4	-61.8	-66.7	161.8	-165.8	0	112.6	N56 V57 S62 D63 I64 T74 Q77 L78	N56-K60 WeakPolarHBondContact O-CG 3.5Å; N56-K60 PolarHBondContact O-N 3.32Å; N56-K60 WeakPolarHBondContact OD1-CE 3.47Å; N56-K60 WeakPolarHBondContact OD1-CG 3.39Å; V57-K60 PolarHBondContact O-N 3.14Å; K60-S62 VanDerWaalsContact C-N 3.33Å; K60-S62 PolarHBondContact O-N 2.98Å; K60-D63 IonicContact NZ-OD2 3.14Å; K60-D63 PolarHBondContact O-N 3.42Å; K60-I64 WeakPolarHBondContact O-CB 3.41Å; K60-I64 WeakPolarHBondContact O-CD1 3.44Å; K60-I64 VanDerWaalsContact O-CG1 3.25Å; K60-I64 WeakPolarHBondContact O-CG1 3.41Å; K60-I64 PolarHBondContact O-N 2.91Å; K60-T74 HydrophobicContact CB-CG2 4.34Å; K60-T74 HydrophobicContact CD-CG2 3.72Å; K60-Q77 HydrophobicContact CD-CB 4.47Å; K60-Q77 VanDerWaalsContact CE-OE1 3.3Å; K60-L78 HydrophobicContact CB-CB 4.21Å; K60-L78 HydrophobicContact CB-CD1 4.27Å
61	H	93.8	Very high	90.3	Very high	9 Å²	9	55 Å²	55	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-46.3	170.1	-74.4	-25.9	0	0	0	111.6	V57 K58 N59 I64 L65 Q141 F144	V57-H61 WeakPolarHBondContact CG1-NE2 3.28Å; V57-H61 WeakPolarHBondContact O-CB 3.42Å; V57-H61 PolarHBondContact O-CD2 3.17Å; V57-H61 VanDerWaalsContact O-CG 3.26Å; V57-H61 PolarHBondContact O-N 3.17Å; K58-H61 PolarHBondContact O-N 2.99Å; N59-H61 PolarHBondContact O-N 3.43Å; H61-I64 PolarHBondContact O-N 3.08Å; H61-L65 WeakPolarHBondContact O-CB 3.45Å; H61-L65 VanDerWaalsContact O-CG 3.23Å; H61-L65 WeakPolarHBondContact O-CG 3.47Å; H61-L65 PolarHBondContact O-N 3.13Å; H61-Q141 PolarHBondContact NE2-OE1 2.96Å; H61-Q141 VanDerWaalsContact NE2-OE1 3.07Å; H61-F144 HydrophobicContact CB-CB 4.32Å; H61-F144 HydrophobicContact CB-CD2 3.45Å; H61-F144 VanDerWaalsContact CB-CD2 3.45Å; H61-F144 HydrophobicContact CB-CE2 3.91Å; H61-F144 HydrophobicContact CB-CG 4.01Å; H61-F144 AromaticContact CD2-CG 3.79Å; H61-F144 AromaticContact CE1-CD1 3.31Å; H61-F144 WeakPolarHBondContact CE1-CD1 3.46Å; H61-F144 AromaticContact CE1-CE1 3.76Å; H61-F144 AromaticContact CE1-CG 3.52Å; H61-F144 AromaticContact CG-CD2 3.42Å; H61-F144 VanDerWaalsContact CG-CD2 3.42Å; H61-F144 AromaticContact CG-CE2 3.95Å; H61-F144 AromaticContact CG-CG 3.47Å; H61-F144 VanDerWaalsContact CG-CG 3.47Å; H61-F144 AromaticContact ND1-CD1 3.38Å; H61-F144 WeakPolarHBondContact ND1-CD1 3.45Å; H61-F144 AromaticContact ND1-CD2 3.39Å; H61-F144 WeakPolarHBondContact ND1-CD2 3.46Å; H61-F144 AromaticContact ND1-CE1 3.59Å; H61-F144 AromaticContact ND1-CE2 3.57Å; H61-F144 AromaticContact ND1-CG 3.29Å; H61-F144 VanDerWaalsContact ND1-CG 3.29Å; H61-F144 WeakPolarHBondContact ND1-CG 3.4Å; H61-F144 AromaticContact ND1-CZ 3.68Å; H61-F144 AromaticContact NE2-CD1 3.93Å; H61-F144 AromaticContact NE2-CG 3.83Å
62	S	93	Very high	89.8	Confident	70 Å²	70	58.2 Å²	58.2	49%	0.49	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-43.6	175.9	-172.7	0	0	0	0	112	K58 N59 K60 L65 S66	K58-S62 PolarHBondContact O-N 3.33Å; K58-S62 VanDerWaalsContact O-N 3.08Å; N59-S62 WeakPolarHBondContact O-CA 3.47Å; N59-S62 WeakPolarHBondContact O-CB 3.45Å; N59-S62 PolarHBondContact O-N 2.91Å; N59-S62 VanDerWaalsContact O-N 3.1Å; K60-S62 VanDerWaalsContact C-N 3.33Å; K60-S62 PolarHBondContact O-N 2.98Å; S62-L65 PolarHBondContact O-N 3.44Å; S62-S66 WeakPolarHBondContact O-CB 3.25Å; S62-S66 PolarHBondContact O-N 2.93Å; S62-S66 PolarHBondContact O-OG 3.23Å
63	D	92.4	Very high	89.5	Confident	68 Å²	68	57.6 Å²	57.6	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-49.1	177.5	-66.1	-20.5	0	0	0	111.4	N59 K60 L65 S66 S67 T74	N59-D63 PolarHBondContact O-N 2.99Å; K60-D63 IonicContact NZ-OD2 3.14Å; K60-D63 PolarHBondContact O-N 3.42Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.04Å; D63-S66 PolarHBondContact O-N 3.49Å; D63-S66 PolarHBondContact O-OG 3.46Å; D63-S67 PolarHBondContact O-N 3.23Å; D63-T74 HydrophobicContact CB-CG2 4.03Å
64	I	90.9	Very high	89.2	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-33.3	179.4	-72.5	166.1	0	0	0	112	K60 H61 T74 K75 L78 F144 R201	K60-I64 WeakPolarHBondContact O-CB 3.41Å; K60-I64 WeakPolarHBondContact O-CD1 3.44Å; K60-I64 VanDerWaalsContact O-CG1 3.25Å; K60-I64 WeakPolarHBondContact O-CG1 3.41Å; K60-I64 PolarHBondContact O-N 2.91Å; H61-I64 PolarHBondContact O-N 3.08Å; I64-T74 HydrophobicContact CD1-CG2 4.1Å; I64-T74 HydrophobicContact CG1-CG2 3.68Å; I64-K75 HydrophobicContact CD1-CG 4.2Å; I64-L78 HydrophobicContact CD1-CB 4.35Å; I64-L78 HydrophobicContact CD1-CD2 3.54Å; I64-F144 HydrophobicContact CB-CE2 4.48Å; I64-F144 HydrophobicContact CG2-CE2 4.16Å; I64-F144 HydrophobicContact CG2-CZ 3.95Å; I64-R201 PolarHBondContact O-NH1 3.12Å; I64-R201 PolarHBondContact O-NH2 3.31Å
65	L	89.1	Confident	88.8	Confident	32 Å²	32	58.6 Å²	58.6	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-72.4	-55.4	170.8	-65.8	168.4	0	0	0	108.9	H61 S62 D63 S67 F144 A147 R151	H61-L65 WeakPolarHBondContact O-CB 3.45Å; H61-L65 VanDerWaalsContact O-CG 3.23Å; H61-L65 WeakPolarHBondContact O-CG 3.47Å; H61-L65 PolarHBondContact O-N 3.13Å; S62-L65 PolarHBondContact O-N 3.44Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.04Å; L65-S67 PolarHBondContact O-N 2.98Å; L65-F144 HydrophobicContact CD1-CD2 4.02Å; L65-F144 HydrophobicContact CD1-CE2 4.3Å; L65-F144 HydrophobicContact CD2-CD2 4.45Å; L65-F144 HydrophobicContact CD2-CE2 4.15Å; L65-F144 HydrophobicContact CG-CD2 4.17Å; L65-F144 HydrophobicContact CG-CE2 3.92Å; L65-A147 HydrophobicContact CD1-CB 3.62Å; L65-A147 HydrophobicContact CD2-CB 3.94Å; L65-A147 HydrophobicContact CG-CB 4.47Å; L65-R151 PolarHBondContact O-NH1 3.37Å; L65-R151 PolarHBondContact O-NH2 3.29Å
66	S	87.9	Confident	88.6	Confident	89 Å²	89	57.4 Å²	57.4	62%	0.622	33%	0.33	S	S	*	.	H	α-helix	trans	-58.5	-29	-174.1	69.4	0	0	0	0	115	S62 D63	S62-S66 WeakPolarHBondContact O-CB 3.25Å; S62-S66 PolarHBondContact O-N 2.93Å; S62-S66 PolarHBondContact O-OG 3.23Å; D63-S66 PolarHBondContact O-N 3.49Å; D63-S66 PolarHBondContact O-OG 3.46Å
67	S	82.2	Confident	88.5	Confident	40 Å²	40	58.8 Å²	58.8	28%	0.28	33%	0.334	S	S	.	.			trans	-84.9	128.6	178	-173.7	0	0	0	0	113.2	D63 L65 N69 R201	D63-S67 PolarHBondContact O-N 3.23Å; L65-S67 PolarHBondContact O-N 2.98Å; S67-N69 VanDerWaalsContact C-N 3.28Å; S67-N69 WeakPolarHBondContact CB-O 3.37Å; S67-N69 PolarHBondContact OG-N 3.39Å; S67-N69 PolarHBondContact OG-O 3.18Å; S67-R201 PolarHBondContact O-NH2 3.36Å
68	P	73.3	Confident	88.3	Confident	107 Å²	107	59.4 Å²	59.4	70%	0.695	34%	0.338	S	S	*	.	S	Bend	trans	-66.7	-31.4	169.5	-16.2	29.1	0	0	0	112.5
69	N	74.8	Confident	88.1	Confident	121 Å²	121	60.2 Å²	60.2	65%	0.647	34%	0.343	S	S	*	.	S	Bend	trans	-94.8	136.7	178.6	-66.5	-23.3	0	0	0	109.4	S67 D71	S67-N69 VanDerWaalsContact C-N 3.28Å; S67-N69 WeakPolarHBondContact CB-O 3.37Å; S67-N69 PolarHBondContact OG-N 3.39Å; S67-N69 PolarHBondContact OG-O 3.18Å; N69-D71 PolarHBondContact O-N 2.99Å; N69-D71 VanDerWaalsContact O-N 3.07Å
70	Q	71.1	Confident	88.1	Confident	66 Å²	66	60.9 Å²	60.9	31%	0.308	35%	0.346	S	S	.	.			trans	-72.3	102.8	174.9	-60	-157.8	-24.7	0	0	109.1	E72 A200	Q70-E72 PolarHBondContact O-N 2.64Å; Q70-E72 VanDerWaalsContact O-N 3.14Å; Q70-A200 PolarHBondContact NE2-O 2.89Å
71	D	82.3	Confident	88.2	Confident	80 Å²	80	59.5 Å²	59.5	43%	0.428	34%	0.341	S	S	.	.			trans	-73.8	101.5	170.4	176.9	30.1	0	0	0	108.8	N69 A73 T74 K75	N69-D71 PolarHBondContact O-N 2.99Å; N69-D71 VanDerWaalsContact O-N 3.07Å; D71-A73 PolarHBondContact O-N 2.92Å; D71-A73 PolarHBondContact OD1-N 2.99Å; D71-T74 PolarHBondContact O-N 3.42Å; D71-T74 VanDerWaalsContact OD2-CB 3.31Å; D71-T74 WeakPolarHBondContact OD2-CB 3.36Å; D71-T74 PolarHBondContact OD2-N 2.91Å; D71-T74 PolarHBondContact OD2-OG1 3.45Å; D71-K75 PolarHBondContact O-N 3.31Å
72	E	86.8	Confident	88.2	Confident	123 Å²	123	60.3 Å²	60.3	58%	0.575	35%	0.345	S	S	*	.	H	α-helix	trans	-58.4	-30.1	-178.4	-162.3	60	-151.1	0	0	111.7	Q70 K75 A76	Q70-E72 PolarHBondContact O-N 2.64Å; Q70-E72 VanDerWaalsContact O-N 3.14Å; E72-K75 PolarHBondContact O-N 3.49Å; E72-A76 WeakPolarHBondContact O-CB 3.33Å; E72-A76 PolarHBondContact O-N 3.17Å
73	A	90.8	Very high	88.2	Confident	53 Å²	53	59.5 Å²	59.5	44%	0.438	34%	0.343	S	S	.	.	H	α-helix	trans	-66.6	-44.1	175.7	0	0	0	0	0	111.7	D71 K75 A76 Q77	D71-A73 PolarHBondContact O-N 2.92Å; D71-A73 PolarHBondContact OD1-N 2.99Å; A73-K75 VanDerWaalsContact C-N 3.33Å; A73-A76 PolarHBondContact O-N 2.79Å; A73-Q77 VanDerWaalsContact O-CG 3.28Å; A73-Q77 WeakPolarHBondContact O-CG 3.43Å; A73-Q77 PolarHBondContact O-N 2.58Å
74	T	91.7	Very high	88.4	Confident	16 Å²	16	59.4 Å²	59.4	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-37.7	175	-66.1	0	0	0	0	111.4	K60 D63 I64 D71 Q77 L78	K60-T74 HydrophobicContact CB-CG2 4.34Å; K60-T74 HydrophobicContact CD-CG2 3.72Å; D63-T74 HydrophobicContact CB-CG2 4.03Å; I64-T74 HydrophobicContact CD1-CG2 4.1Å; I64-T74 HydrophobicContact CG1-CG2 3.68Å; D71-T74 PolarHBondContact O-N 3.42Å; D71-T74 VanDerWaalsContact OD2-CB 3.31Å; D71-T74 WeakPolarHBondContact OD2-CB 3.36Å; D71-T74 PolarHBondContact OD2-N 2.91Å; D71-T74 PolarHBondContact OD2-OG1 3.45Å; T74-Q77 PolarHBondContact O-N 3.34Å; T74-L78 PolarHBondContact O-N 2.99Å
75	K	90.1	Very high	88.6	Confident	10 Å²	10	58.9 Å²	58.9	4%	0.043	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-45.8	174.9	-71.7	-166.9	169.9	-156.3	0	112.7	I64 D71 E72 A73 Q77 L78 E79 D204	I64-K75 HydrophobicContact CD1-CG 4.2Å; D71-K75 PolarHBondContact O-N 3.31Å; E72-K75 PolarHBondContact O-N 3.49Å; A73-K75 VanDerWaalsContact C-N 3.33Å; K75-Q77 VanDerWaalsContact C-N 3.33Å; K75-Q77 PolarHBondContact O-N 3.34Å; K75-L78 WeakPolarHBondContact O-CB 3.17Å; K75-L78 PolarHBondContact O-N 2.98Å; K75-E79 PolarHBondContact O-N 3.02Å; K75-D204 WeakPolarHBondContact CE-OD1 3.41Å; K75-D204 IonicContact NZ-OD1 2.69Å; K75-D204 PolarHBondContact NZ-OD1 3.04Å; K75-D204 IonicContact NZ-OD2 3.41Å; K75-D204 PolarHBondContact NZ-OD2 3Å
76	A	92.2	Very high	88.8	Confident	42 Å²	42	61 Å²	61	35%	0.347	35%	0.345	S	S	.	.	H	α-helix	trans	-59.6	-44.2	175.7	0	0	0	0	0	111.5	E72 A73 L78 E79 D80	E72-A76 WeakPolarHBondContact O-CB 3.33Å; E72-A76 PolarHBondContact O-N 3.17Å; A73-A76 PolarHBondContact O-N 2.79Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 3.39Å; A76-E79 PolarHBondContact O-N 3.2Å; A76-D80 PolarHBondContact O-N 2.83Å
77	Q	93.7	Very high	89.1	Confident	92 Å²	92	60 Å²	60	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-37.8	175.5	-73	173.9	0.9	0	0	113	K60 A73 T74 K75 A81	K60-Q77 HydrophobicContact CD-CB 4.47Å; K60-Q77 VanDerWaalsContact CE-OE1 3.3Å; A73-Q77 VanDerWaalsContact O-CG 3.28Å; A73-Q77 WeakPolarHBondContact O-CG 3.43Å; A73-Q77 PolarHBondContact O-N 2.58Å; T74-Q77 PolarHBondContact O-N 3.34Å; K75-Q77 VanDerWaalsContact C-N 3.33Å; K75-Q77 PolarHBondContact O-N 3.34Å; Q77-A81 WeakPolarHBondContact O-CB 3.39Å; Q77-A81 PolarHBondContact O-N 3.13Å
78	L	93.6	Very high	89.8	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-46.8	175.1	172.4	63.2	0	0	0	110.9	V57 K60 I64 T74 K75 A76 D80 A81 M82	V57-L78 HydrophobicContact CB-CD1 4.23Å; V57-L78 HydrophobicContact CG1-CD1 3.84Å; V57-L78 HydrophobicContact CG2-CD1 4.03Å; K60-L78 HydrophobicContact CB-CB 4.21Å; K60-L78 HydrophobicContact CB-CD1 4.27Å; I64-L78 HydrophobicContact CD1-CB 4.35Å; I64-L78 HydrophobicContact CD1-CD2 3.54Å; T74-L78 PolarHBondContact O-N 2.99Å; K75-L78 WeakPolarHBondContact O-CB 3.17Å; K75-L78 PolarHBondContact O-N 2.98Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 3.39Å; L78-D80 PolarHBondContact O-N 2.98Å; L78-A81 PolarHBondContact O-N 3.21Å; L78-M82 HydrophobicContact CD1-CG 4.15Å; L78-M82 HydrophobicContact CD1-SD 3.98Å; L78-M82 HydrophobicContact CG-SD 3.95Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.48Å; L78-M82 PolarHBondContact O-N 3.41Å
79	E	92.2	Very high	90.7	Very high	84 Å²	84	53.6 Å²	53.6	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-42.3	178.4	-71.5	-178	-173.6	0	0	112.1	K75 A76 M82 A83 K207	K75-E79 PolarHBondContact O-N 3.02Å; A76-E79 PolarHBondContact O-N 3.2Å; E79-M82 PolarHBondContact O-N 3Å; E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 2.92Å; E79-K207 WeakPolarHBondContact OE1-CD 3.4Å; E79-K207 WeakPolarHBondContact OE1-CE 3.41Å; E79-K207 IonicContact OE1-NZ 2.63Å; E79-K207 PolarHBondContact OE1-NZ 2.99Å
80	D	94.8	Very high	91.6	Very high	115 Å²	115	51.9 Å²	51.9	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-60.6	-46	175	-74.2	-20.8	0	0	0	111.4	A76 L78 M82 A83 E84	A76-D80 PolarHBondContact O-N 2.83Å; L78-D80 PolarHBondContact O-N 2.98Å; D80-M82 PolarHBondContact O-N 3.1Å; D80-A83 PolarHBondContact O-N 2.71Å; D80-E84 WeakPolarHBondContact O-CB 3.24Å; D80-E84 PolarHBondContact O-N 3.17Å
81	A	95.5	Very high	92.8	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-42.1	177.6	0	0	0	0	0	111.9	L53 V57 Q77 L78 E84 I85	L53-A81 HydrophobicContact CD2-CB 4.32Å; V57-A81 HydrophobicContact CG2-CB 3.92Å; Q77-A81 WeakPolarHBondContact O-CB 3.39Å; Q77-A81 PolarHBondContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 3.21Å; A81-E84 PolarHBondContact O-N 3.39Å; A81-I85 VanDerWaalsContact O-CG1 3.28Å; A81-I85 WeakPolarHBondContact O-CG1 3.28Å; A81-I85 PolarHBondContact O-N 2.86Å
82	M	94.2	Very high	93.4	Very high	27 Å²	27	52 Å²	52	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-41.7	176.4	-70.7	175.5	59.8	0	0	112	V57 L78 E79 D80 I85 K86 S211	V57-M82 HydrophobicContact CG2-CG 4.33Å; L78-M82 HydrophobicContact CD1-CG 4.15Å; L78-M82 HydrophobicContact CD1-SD 3.98Å; L78-M82 HydrophobicContact CG-SD 3.95Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.48Å; L78-M82 PolarHBondContact O-N 3.41Å; E79-M82 PolarHBondContact O-N 3Å; D80-M82 PolarHBondContact O-N 3.1Å; M82-I85 PolarHBondContact O-N 2.86Å; M82-K86 PolarHBondContact O-N 2.78Å; M82-S211 WeakPolarHBondContact CE-OG 3.49Å
83	A	93.3	Very high	93.6	Very high	53 Å²	53	48.8 Å²	48.8	44%	0.438	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-38	176.1	0	0	0	0	0	112.2	E79 D80 T87	E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 2.92Å; D80-A83 PolarHBondContact O-N 2.71Å; A83-T87 PolarHBondContact O-N 3.05Å; A83-T87 PolarHBondContact O-OG1 3.03Å
84	E	95.7	Very high	93.7	Very high	66 Å²	66	49.2 Å²	49.2	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-46.7	175.2	-167.3	-178.5	166.2	0	0	111.2	R49 L53 D80 A81 K86 T87 I88	R49-E84 IonicContact CZ-OE1 2.64Å; R49-E84 VanDerWaalsContact CZ-OE1 3.23Å; R49-E84 IonicContact CZ-OE2 3.19Å; R49-E84 IonicContact NE-OE1 2.94Å; R49-E84 PolarHBondContact NE-OE1 3.43Å; R49-E84 VanDerWaalsContact NH2-CD 3.26Å; R49-E84 IonicContact NH2-OE1 3.99Å; R49-E84 PolarHBondContact NH2-OE1 3.2Å; R49-E84 IonicContact NH2-OE2 2.63Å; R49-E84 PolarHBondContact NH2-OE2 2.84Å; L53-E84 HydrophobicContact CD1-CB 3.92Å; L53-E84 HydrophobicContact CD1-CG 3.63Å; L53-E84 WeakPolarHBondContact CD2-OE2 3.41Å; D80-E84 WeakPolarHBondContact O-CB 3.24Å; D80-E84 PolarHBondContact O-N 3.17Å; A81-E84 PolarHBondContact O-N 3.39Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.25Å; E84-T87 PolarHBondContact O-N 2.89Å; E84-T87 VanDerWaalsContact O-N 3.14Å; E84-I88 HydrophobicContact CG-CD1 3.83Å; E84-I88 HydrophobicContact CG-CG1 4.36Å; E84-I88 WeakPolarHBondContact O-CG1 3.42Å; E84-I88 PolarHBondContact O-N 3.47Å
85	I	95.4	Very high	93.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-53.8	-50	174.5	-72.4	167.1	0	0	0	110.1	V50 L53 V54 V57 A81 M82 T87 I88 A89 Y137	V50-I85 HydrophobicContact CG1-CG1 4.49Å; V50-I85 HydrophobicContact CG1-CG2 4.13Å; L53-I85 HydrophobicContact CB-CD1 3.79Å; L53-I85 HydrophobicContact CB-CG1 3.47Å; L53-I85 VanDerWaalsContact CB-CG1 3.47Å; L53-I85 HydrophobicContact CD1-CG1 3.95Å; L53-I85 HydrophobicContact CG-CG1 4.34Å; V54-I85 HydrophobicContact CG2-CD1 4.07Å; V57-I85 HydrophobicContact CG2-CD1 3.79Å; A81-I85 VanDerWaalsContact O-CG1 3.28Å; A81-I85 WeakPolarHBondContact O-CG1 3.28Å; A81-I85 PolarHBondContact O-N 2.86Å; M82-I85 PolarHBondContact O-N 2.86Å; I85-T87 VanDerWaalsContact C-N 3.33Å; I85-T87 PolarHBondContact O-N 3.04Å; I85-I88 PolarHBondContact O-N 3.28Å; I85-A89 WeakPolarHBondContact O-CB 3.35Å; I85-A89 PolarHBondContact O-N 2.92Å; I85-Y137 HydrophobicContact CD1-CD2 4.01Å; I85-Y137 HydrophobicContact CD1-CE2 3.66Å; I85-Y137 HydrophobicContact CG2-CD1 3.88Å; I85-Y137 HydrophobicContact CG2-CE1 3.61Å; I85-Y137 HydrophobicContact CG2-CG 4.43Å
86	K	93	Very high	94	Very high	76 Å²	76	50.5 Å²	50.5	33%	0.33	26%	0.263	S	S	.	.	H	α-helix	trans	-55.9	-48.5	178.1	179.2	-179.4	-177.8	175.1	0	111.7	M82 E84 A89 H90 E214	M82-K86 PolarHBondContact O-N 2.78Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.25Å; K86-A89 PolarHBondContact O-N 3.49Å; K86-H90 PolarHBondContact O-CD2 3.46Å; K86-H90 PolarHBondContact O-N 2.93Å; K86-E214 WeakPolarHBondContact CD-OE2 3.32Å; K86-E214 WeakPolarHBondContact CE-OE2 3.2Å; K86-E214 IonicContact NZ-OE1 3.63Å; K86-E214 PolarHBondContact NZ-OE1 3.23Å; K86-E214 IonicContact NZ-OE2 3.04Å; K86-E214 PolarHBondContact NZ-OE2 3.02Å
87	T	94.6	Very high	93.9	Very high	70 Å²	70	54 Å²	54	43%	0.429	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-45.8	-178.1	-59.6	0	0	0	0	111.6	A83 E84 I85 R91	A83-T87 PolarHBondContact O-N 3.05Å; A83-T87 PolarHBondContact O-OG1 3.03Å; E84-T87 PolarHBondContact O-N 2.89Å; E84-T87 VanDerWaalsContact O-N 3.14Å; I85-T87 VanDerWaalsContact C-N 3.33Å; I85-T87 PolarHBondContact O-N 3.04Å; T87-R91 WeakPolarHBondContact O-CG 3.21Å; T87-R91 PolarHBondContact O-N 3.32Å
88	I	96	Very high	93.8	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-42.5	179.9	-64.4	174.4	0	0	0	110.8	L46 R49 V50 L53 E84 I85 H90 R91 V92	L46-I88 HydrophobicContact CB-CG2 3.77Å; L46-I88 HydrophobicContact CD2-CG2 3.92Å; L46-I88 HydrophobicContact CG-CG2 4.38Å; L46-I88 WeakPolarHBondContact O-CG2 3.4Å; R49-I88 HydrophobicContact CB-CD1 4.15Å; R49-I88 HydrophobicContact CG-CD1 3.38Å; V50-I88 HydrophobicContact CG2-CB 3.82Å; V50-I88 HydrophobicContact CG2-CG2 3.38Å; L53-I88 HydrophobicContact CD1-CD1 3.94Å; E84-I88 HydrophobicContact CG-CD1 3.83Å; E84-I88 HydrophobicContact CG-CG1 4.36Å; E84-I88 WeakPolarHBondContact O-CG1 3.42Å; E84-I88 PolarHBondContact O-N 3.47Å; I85-I88 PolarHBondContact O-N 3.28Å; I88-H90 VanDerWaalsContact C-N 3.34Å; I88-H90 PolarHBondContact O-N 3.27Å; I88-R91 WeakPolarHBondContact O-CA 3.37Å; I88-R91 WeakPolarHBondContact O-CB 3.34Å; I88-R91 PolarHBondContact O-N 3.33Å; I88-V92 HydrophobicContact CG2-CG2 4.21Å; I88-V92 WeakPolarHBondContact O-CG2 3.32Å; I88-V92 PolarHBondContact O-N 3.4Å
89	A	93.8	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-39.5	180	0	0	0	0	0	112	I85 K86 R91 V92 R93 F130 M134 M218	I85-A89 WeakPolarHBondContact O-CB 3.35Å; I85-A89 PolarHBondContact O-N 2.92Å; K86-A89 PolarHBondContact O-N 3.49Å; A89-R91 PolarHBondContact O-N 3.14Å; A89-V92 PolarHBondContact O-N 3.45Å; A89-R93 WeakPolarHBondContact O-CB 3.27Å; A89-R93 PolarHBondContact O-N 2.94Å; A89-F130 HydrophobicContact CB-CE2 4.07Å; A89-F130 HydrophobicContact CB-CZ 3.93Å; A89-F130 WeakPolarHBondContact O-CZ 3.48Å; A89-M134 HydrophobicContact CB-CE 3.89Å; A89-M134 HydrophobicContact CB-SD 3.93Å; A89-M218 HydrophobicContact CB-CE 3.63Å; A89-M218 HydrophobicContact CB-SD 3.53Å; A89-M218 VanDerWaalsContact CB-SD 3.53Å
90	H	93.2	Very high	93.5	Very high	85 Å²	85	51.3 Å²	51.3	39%	0.394	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-38.4	170.2	-76	-60.2	0	0	0	113	K86 I88 A94	K86-H90 PolarHBondContact O-CD2 3.46Å; K86-H90 PolarHBondContact O-N 2.93Å; I88-H90 VanDerWaalsContact C-N 3.34Å; I88-H90 PolarHBondContact O-N 3.27Å; H90-A94 WeakPolarHBondContact O-CB 3.39Å; H90-A94 PolarHBondContact O-N 2.9Å
91	R	95	Very high	93.2	Very high	148 Å²	148	51.2 Å²	51.2	56%	0.558	25%	0.254	S	S	*	.	H	α-helix	trans	-66	-46.1	176.3	-71.8	175.4	177	-170.5	0.4	112	L46 T87 I88 A89 R93 A94 K95	L46-R91 HydrophobicContact CD1-CB 4.4Å; T87-R91 WeakPolarHBondContact O-CG 3.21Å; T87-R91 PolarHBondContact O-N 3.32Å; I88-R91 WeakPolarHBondContact O-CA 3.37Å; I88-R91 WeakPolarHBondContact O-CB 3.34Å; I88-R91 PolarHBondContact O-N 3.33Å; A89-R91 PolarHBondContact O-N 3.14Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 3.12Å; R91-A94 PolarHBondContact O-N 3.36Å; R91-K95 WeakPolarHBondContact O-CG 3.49Å; R91-K95 PolarHBondContact O-N 2.94Å
92	V	94.7	Very high	92.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-48.4	176	170.3	0	0	0	0	109.8	I43 L46 I47 I88 A89 A94 K95 L96 F130	I43-V92 HydrophobicContact CG2-CG1 3.91Å; I43-V92 HydrophobicContact CG2-CG2 4.49Å; L46-V92 HydrophobicContact CB-CG2 3.53Å; L46-V92 HydrophobicContact CD1-CG2 4.15Å; L46-V92 HydrophobicContact CG-CG2 4.48Å; I47-V92 HydrophobicContact CD1-CG1 4.31Å; I47-V92 HydrophobicContact CG1-CG1 4.06Å; I47-V92 HydrophobicContact CG1-CG2 4.16Å; I88-V92 HydrophobicContact CG2-CG2 4.21Å; I88-V92 WeakPolarHBondContact O-CG2 3.32Å; I88-V92 PolarHBondContact O-N 3.4Å; A89-V92 PolarHBondContact O-N 3.45Å; V92-A94 PolarHBondContact O-N 3.48Å; V92-K95 PolarHBondContact O-N 3.44Å; V92-L96 HydrophobicContact CG1-CD1 3.92Å; V92-L96 HydrophobicContact CG1-CG 4.32Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.24Å; V92-F130 HydrophobicContact CB-CD2 4.25Å; V92-F130 HydrophobicContact CB-CE1 4.38Å; V92-F130 HydrophobicContact CB-CE2 3.94Å; V92-F130 HydrophobicContact CB-CZ 4.02Å; V92-F130 HydrophobicContact CG1-CB 4.24Å; V92-F130 HydrophobicContact CG1-CD1 3.72Å; V92-F130 HydrophobicContact CG1-CD2 3.59Å; V92-F130 HydrophobicContact CG1-CE1 3.86Å; V92-F130 HydrophobicContact CG1-CE2 3.76Å; V92-F130 HydrophobicContact CG1-CG 3.58Å; V92-F130 HydrophobicContact CG1-CZ 3.89Å; V92-F130 HydrophobicContact CG2-CE2 4.47Å
93	R	92.2	Very high	92.5	Very high	57 Å²	57	52.8 Å²	52.8	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-47	176.4	178.2	-179.2	161.5	-177.2	-6.3	112.7	A89 R91 K95 L96 K97 F130 D221	A89-R93 WeakPolarHBondContact O-CB 3.27Å; A89-R93 PolarHBondContact O-N 2.94Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 3.12Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 2.94Å; R93-L96 PolarHBondContact O-N 3.4Å; R93-K97 PolarHBondContact O-N 2.9Å; R93-F130 HydrophobicContact CB-CE1 4.47Å; R93-D221 IonicContact CZ-OD1 2.61Å; R93-D221 IonicContact CZ-OD2 3.44Å; R93-D221 IonicContact NH1-OD2 2.88Å; R93-D221 PolarHBondContact NH1-OD2 3.13Å; R93-D221 VanDerWaalsContact NH2-CB 3.28Å; R93-D221 IonicContact NH2-OD1 3.62Å; R93-D221 PolarHBondContact NH2-OD1 3.01Å; R93-D221 IonicContact NH2-OD2 3.92Å; R93-D221 PolarHBondContact NH2-OD2 2.91Å
94	A	93	Very high	92.1	Very high	62 Å²	62	55.2 Å²	55.2	51%	0.512	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-41.8	179.4	0	0	0	0	0	112	H90 R91 V92 K97 Q98	H90-A94 WeakPolarHBondContact O-CB 3.39Å; H90-A94 PolarHBondContact O-N 2.9Å; R91-A94 PolarHBondContact O-N 3.36Å; V92-A94 PolarHBondContact O-N 3.48Å; A94-K97 PolarHBondContact O-N 3.39Å; A94-Q98 PolarHBondContact O-N 3.08Å
95	K	94.2	Very high	91.7	Very high	50 Å²	50	59.8 Å²	59.8	22%	0.217	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-39.9	177.1	-70.7	179.6	-179.1	-75.9	0	112.8	E42 I43 L46 R91 V92 R93 Q98 M99	E42-K95 WeakPolarHBondContact OE1-CE 3.25Å; E42-K95 IonicContact OE1-NZ 3.97Å; E42-K95 PolarHBondContact OE1-NZ 2.78Å; E42-K95 WeakPolarHBondContact OE2-CE 3.42Å; E42-K95 IonicContact OE2-NZ 2.92Å; E42-K95 PolarHBondContact OE2-NZ 2.89Å; I43-K95 HydrophobicContact CD1-CB 3.76Å; I43-K95 HydrophobicContact CG1-CB 3.71Å; I43-K95 HydrophobicContact CG1-CD 3.67Å; I43-K95 HydrophobicContact CG1-CG 4.34Å; L46-K95 HydrophobicContact CD1-CD 4.14Å; R91-K95 WeakPolarHBondContact O-CG 3.49Å; R91-K95 PolarHBondContact O-N 2.94Å; V92-K95 PolarHBondContact O-N 3.44Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 2.94Å; K95-Q98 PolarHBondContact O-N 2.84Å; K95-M99 PolarHBondContact O-N 2.83Å
96	L	92.5	Very high	91	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-45.8	174.2	-76.4	176.6	0	0	0	111.3	V92 R93 Q98 M99 E100 Y123 I126 F130	V92-L96 HydrophobicContact CG1-CD1 3.92Å; V92-L96 HydrophobicContact CG1-CG 4.32Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.24Å; R93-L96 PolarHBondContact O-N 3.4Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 3.29Å; L96-M99 WeakPolarHBondContact O-CB 3.31Å; L96-M99 PolarHBondContact O-N 3.37Å; L96-M99 VanDerWaalsContact O-N 3.1Å; L96-E100 PolarHBondContact O-N 3.1Å; L96-Y123 HydrophobicContact CB-CE2 4.3Å; L96-Y123 HydrophobicContact CD2-CD2 4.11Å; L96-Y123 HydrophobicContact CD2-CE2 4.2Å; L96-Y123 WeakPolarHBondContact O-CE2 3.33Å; L96-I126 HydrophobicContact CD2-CB 4.28Å; L96-I126 HydrophobicContact CD2-CG2 3.82Å; L96-F130 HydrophobicContact CD1-CB 4.4Å; L96-F130 HydrophobicContact CD1-CD1 3.84Å; L96-F130 HydrophobicContact CD1-CG 4.43Å
97	K	90.3	Very high	90.3	Very high	116 Å²	116	60.2 Å²	60.2	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-39.5	175.6	-172.4	170.1	-175.3	170.2	0	112.4	R93 A94 M99 E100 M101	R93-K97 PolarHBondContact O-N 2.9Å; A94-K97 PolarHBondContact O-N 3.39Å; K97-M99 VanDerWaalsContact C-N 3.34Å; K97-E100 PolarHBondContact O-N 3.11Å; K97-M101 WeakPolarHBondContact O-CG 3.24Å; K97-M101 PolarHBondContact O-N 3.49Å
98	Q	92.2	Very high	89.4	Confident	100 Å²	100	63.4 Å²	63.4	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-40.7	174.1	-174.6	-179.5	1.2	0	0	111.8	A94 K95 L96 M101 N102	A94-Q98 PolarHBondContact O-N 3.08Å; K95-Q98 PolarHBondContact O-N 2.84Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 3.29Å; Q98-M101 PolarHBondContact O-N 3.31Å; Q98-N102 PolarHBondContact O-N 3.12Å; Q98-N102 VanDerWaalsContact O-N 3.09Å; Q98-N102 PolarHBondContact O-ND2 2.82Å
99	M	90.3	Very high	88.3	Confident	6 Å²	6	67 Å²	67	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-41.9	176.5	-172.2	177.2	-64.1	0	0	111.8	F36 V40 I43 K95 L96 K97 N102 I103 Y123 I126	F36-M99 HydrophobicContact CE2-CE 3.81Å; F36-M99 HydrophobicContact CE2-CG 4.14Å; F36-M99 HydrophobicContact CE2-SD 3.89Å; F36-M99 HydrophobicContact CZ-CE 4.41Å; F36-M99 HydrophobicContact CZ-SD 4.29Å; V40-M99 HydrophobicContact CG2-CE 3.76Å; I43-M99 HydrophobicContact CD1-CE 3.61Å; K95-M99 PolarHBondContact O-N 2.83Å; L96-M99 WeakPolarHBondContact O-CB 3.31Å; L96-M99 PolarHBondContact O-N 3.37Å; L96-M99 VanDerWaalsContact O-N 3.1Å; K97-M99 VanDerWaalsContact C-N 3.34Å; M99-N102 PolarHBondContact O-N 3.5Å; M99-I103 HydrophobicContact CG-CD1 4.09Å; M99-I103 VanDerWaalsContact O-CG1 3.29Å; M99-I103 WeakPolarHBondContact O-CG1 3.42Å; M99-I103 PolarHBondContact O-N 2.9Å; M99-Y123 HydrophobicContact CB-CD2 4.15Å; M99-Y123 HydrophobicContact CG-CD2 4.06Å; M99-Y123 HydrophobicContact SD-CD2 4.03Å; M99-Y123 HydrophobicContact SD-CG 4.42Å; M99-I126 HydrophobicContact CE-CD1 4.48Å
100	E	88.6	Confident	86.9	Confident	27 Å²	27	71 Å²	71	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-51	174.1	-176.8	178.4	-128	0	0	111.5	L96 K97 N102 I103 E104 Y123 L225 S228	L96-E100 PolarHBondContact O-N 3.1Å; K97-E100 PolarHBondContact O-N 3.11Å; E100-N102 VanDerWaalsContact C-N 3.27Å; E100-N102 PolarHBondContact O-N 3.24Å; E100-I103 WeakPolarHBondContact O-CA 3.42Å; E100-I103 WeakPolarHBondContact O-CB 3.44Å; E100-I103 PolarHBondContact O-N 3.08Å; E100-E104 PolarHBondContact O-N 3.44Å; E100-Y123 HydrophobicContact CB-CE2 3.88Å; E100-Y123 PolarHBondContact OE1-OH 3Å; E100-L225 VanDerWaalsContact CD-CD2 3.48Å; E100-L225 VanDerWaalsContact OE1-CD2 3.29Å; E100-L225 WeakPolarHBondContact OE1-CD2 3.32Å; E100-L225 WeakPolarHBondContact OE2-CD2 3.28Å; E100-S228 PolarHBondContact OE1-OG 3.44Å
101	M	89	Confident	85.5	Confident	112 Å²	112	76.2 Å²	76.2	55%	0.552	36%	0.363	S	S	*	.	H	α-helix	trans	-57.7	-38.9	177.5	-70.4	178.2	67.2	0	0	112.8	K97 Q98 Y105	K97-M101 WeakPolarHBondContact O-CG 3.24Å; K97-M101 PolarHBondContact O-N 3.49Å; Q98-M101 PolarHBondContact O-N 3.31Å; M101-Y105 WeakPolarHBondContact O-CB 3.36Å; M101-Y105 PolarHBondContact O-N 3.43Å
102	N	88.6	Confident	84.1	Confident	62 Å²	62	74 Å²	74	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-67.2	-39.7	176.1	-67.7	-22.8	0	0	0	111.6	Q98 M99 E100 Y105 D106	Q98-N102 PolarHBondContact O-N 3.12Å; Q98-N102 VanDerWaalsContact O-N 3.09Å; Q98-N102 PolarHBondContact O-ND2 2.82Å; M99-N102 PolarHBondContact O-N 3.5Å; E100-N102 VanDerWaalsContact C-N 3.27Å; E100-N102 PolarHBondContact O-N 3.24Å; N102-Y105 PolarHBondContact O-N 3.34Å; N102-D106 WeakPolarHBondContact O-CB 3.49Å; N102-D106 VanDerWaalsContact O-CG 3.29Å; N102-D106 PolarHBondContact O-N 3.3Å
103	I	86.8	Confident	83.3	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-45.5	175.9	-71.9	164	0	0	0	110.7	M99 E100 Y105 D106 E107 L116 R119 K120 Y123 M232	M99-I103 HydrophobicContact CG-CD1 4.09Å; M99-I103 VanDerWaalsContact O-CG1 3.29Å; M99-I103 WeakPolarHBondContact O-CG1 3.42Å; M99-I103 PolarHBondContact O-N 2.9Å; E100-I103 WeakPolarHBondContact O-CA 3.42Å; E100-I103 WeakPolarHBondContact O-CB 3.44Å; E100-I103 PolarHBondContact O-N 3.08Å; I103-Y105 VanDerWaalsContact C-N 3.33Å; I103-Y105 PolarHBondContact O-N 2.98Å; I103-D106 PolarHBondContact O-N 3.12Å; I103-E107 WeakPolarHBondContact O-CG 3.39Å; I103-E107 PolarHBondContact O-N 3.18Å; I103-L116 HydrophobicContact CG2-CD1 4.07Å; I103-R119 HydrophobicContact CD1-CB 4.16Å; I103-R119 HydrophobicContact CG1-CB 3.8Å; I103-K120 HydrophobicContact CD1-CG 4.46Å; I103-K120 HydrophobicContact CG2-CD 4.42Å; I103-K120 HydrophobicContact CG2-CG 3.66Å; I103-Y123 HydrophobicContact CD1-CD1 4.45Å; I103-Y123 HydrophobicContact CD1-CD2 4.44Å; I103-Y123 HydrophobicContact CD1-CG 3.91Å; I103-M232 HydrophobicContact CG2-SD 4.21Å
104	E	85.5	Confident	82.7	Confident	104 Å²	104	74.8 Å²	74.8	49%	0.486	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-39.7	177.3	-70.5	-179.4	173	0	0	112.1	E100 N108	E100-E104 PolarHBondContact O-N 3.44Å; E104-N108 PolarHBondContact O-N 2.93Å; E104-N108 PolarHBondContact O-ND2 3.43Å
105	Y	85.9	Confident	82.3	Confident	162 Å²	162	74.5 Å²	74.5	64%	0.635	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-44.9	174.9	-179.7	-92.9	0	0	0	112.1	M101 N102 I103 N108 S109	M101-Y105 WeakPolarHBondContact O-CB 3.36Å; M101-Y105 PolarHBondContact O-N 3.43Å; N102-Y105 PolarHBondContact O-N 3.34Å; I103-Y105 VanDerWaalsContact C-N 3.33Å; I103-Y105 PolarHBondContact O-N 2.98Å; Y105-N108 PolarHBondContact O-N 2.63Å; Y105-S109 PolarHBondContact O-N 3.16Å; Y105-S109 PolarHBondContact O-OG 2.93Å
106	D	81.2	Confident	81.8	Confident	45 Å²	45	72.2 Å²	72.2	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-37	178.9	-72.3	-12.3	0	0	0	111.6	N102 I103 N108 S109 D110 L116 R119	N102-D106 WeakPolarHBondContact O-CB 3.49Å; N102-D106 VanDerWaalsContact O-CG 3.29Å; N102-D106 PolarHBondContact O-N 3.3Å; I103-D106 PolarHBondContact O-N 3.12Å; D106-N108 PolarHBondContact O-N 3.26Å; D106-S109 PolarHBondContact O-N 3.4Å; D106-S109 VanDerWaalsContact O-N 3.07Å; D106-D110 PolarHBondContact O-N 2.87Å; D106-L116 HydrophobicContact CB-CD1 3.88Å; D106-R119 WeakPolarHBondContact OD2-CD 3.29Å; D106-R119 IonicContact OD2-NE 3.38Å; D106-R119 PolarHBondContact OD2-NE 3.37Å
107	E	78.6	Confident	81.3	Confident	41 Å²	41	75.3 Å²	75.3	19%	0.192	37%	0.374	C	S	.	.	H	α-helix	trans	-58	-34	174.6	-80.3	-158.8	146.8	0	0	113	I103 S109 R111 L116 K120 R235	I103-E107 WeakPolarHBondContact O-CG 3.39Å; I103-E107 PolarHBondContact O-N 3.18Å; E107-S109 VanDerWaalsContact C-N 3.33Å; E107-R111 VanDerWaalsContact O-CG 3.25Å; E107-R111 WeakPolarHBondContact O-CG 3.45Å; E107-L116 HydrophobicContact CG-CD1 4.18Å; E107-L116 HydrophobicContact CG-CD2 4.09Å; E107-K120 WeakPolarHBondContact OE1-CE 3.41Å; E107-K120 IonicContact OE1-NZ 2.82Å; E107-K120 PolarHBondContact OE1-NZ 3.21Å; E107-R235 IonicContact OE1-NH1 2.6Å; E107-R235 PolarHBondContact OE1-NH1 3.09Å; E107-R235 IonicContact OE2-NH1 3Å; E107-R235 PolarHBondContact OE2-NH1 3.01Å
108	N	75.8	Confident	81.1	Confident	137 Å²	137	72 Å²	72	73%	0.733	36%	0.362	S	S	*	.	H	α-helix	trans	-76.3	-22.5	179.1	-71.7	-45.7	0	0	0	112.9	E104 Y105 D106	E104-N108 PolarHBondContact O-N 2.93Å; E104-N108 PolarHBondContact O-ND2 3.43Å; Y105-N108 PolarHBondContact O-N 2.63Å; D106-N108 PolarHBondContact O-N 3.26Å
109	S	73.3	Confident	81	Confident	86 Å²	86	69.5 Å²	69.5	60%	0.601	35%	0.348	S	S	*	.	H	α-helix	trans	-98.2	-45.8	-175.4	-57.6	0	0	0	0	112.6	Y105 D106 E107	Y105-S109 PolarHBondContact O-N 3.16Å; Y105-S109 PolarHBondContact O-OG 2.93Å; D106-S109 PolarHBondContact O-N 3.4Å; D106-S109 VanDerWaalsContact O-N 3.07Å; E107-S109 VanDerWaalsContact C-N 3.33Å
110	D	64.3	Low	80.8	Confident	83 Å²	83	69.5 Å²	69.5	44%	0.444	35%	0.348	S	S	.	.			trans	-149	98.9	-178.4	-174.6	-1.9	0	0	0	110.8	D106 T112 L116	D106-D110 PolarHBondContact O-N 2.87Å; D110-T112 PolarHBondContact O-N 2.75Å; D110-T112 VanDerWaalsContact O-N 3.1Å; D110-T112 PolarHBondContact OD1-N 2.64Å; D110-T112 PolarHBondContact OD1-OG1 2.78Å; D110-L116 WeakPolarHBondContact O-CD2 3.23Å
111	R	62.7	Low	80.6	Confident	196 Å²	196	70.9 Å²	70.9	74%	0.74	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.5	-172.5	-70.5	-178	177.1	-176.7	-1	114.6	E107	E107-R111 VanDerWaalsContact O-CG 3.25Å; E107-R111 WeakPolarHBondContact O-CG 3.45Å
112	T	65.9	Low	80.7	Confident	100 Å²	100	67.5 Å²	67.5	61%	0.613	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	9.3	-161.7	43.2	0	0	0	0	115.2	D110	D110-T112 PolarHBondContact O-N 2.75Å; D110-T112 VanDerWaalsContact O-N 3.1Å; D110-T112 PolarHBondContact OD1-N 2.64Å; D110-T112 PolarHBondContact OD1-OG1 2.78Å
113	S	77.9	Confident	80.8	Confident	28 Å²	28	64.6 Å²	64.6	20%	0.196	33%	0.325	C	S	.	.			trans	-67.8	146.9	-179.8	75.1	0	0	0	0	112.7	D115 L116 R117	S113-D115 PolarHBondContact O-N 3.04Å; S113-L116 PolarHBondContact O-N 2.84Å; S113-L116 VanDerWaalsContact OG-CB 3.27Å; S113-L116 WeakPolarHBondContact OG-CB 3.38Å; S113-L116 PolarHBondContact OG-N 3.41Å; S113-R117 PolarHBondContact O-N 2.9Å
114	A	80.3	Confident	80.8	Confident	46 Å²	46	64.7 Å²	64.7	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-37.3	172.8	0	0	0	0	0	111	R117 I118	A114-R117 PolarHBondContact O-N 3.34Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 3.39Å
115	D	84.1	Confident	81	Confident	57 Å²	57	63.1 Å²	63.1	31%	0.305	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-47.4	177.3	-60.4	13.8	0	0	0	111.1	Y32 M33 S113 R117 I118 R119	Y32-D115 WeakPolarHBondContact CE2-OD1 3.34Å; Y32-D115 VanDerWaalsContact CZ-OD1 3.24Å; Y32-D115 PolarHBondContact OH-OD1 3.44Å; M33-D115 HydrophobicContact CE-CB 4.11Å; M33-D115 HydrophobicContact SD-CB 4.03Å; S113-D115 PolarHBondContact O-N 3.04Å; D115-R117 VanDerWaalsContact C-N 3.33Å; D115-R117 PolarHBondContact O-N 3.2Å; D115-I118 PolarHBondContact O-N 3.14Å; D115-R119 WeakPolarHBondContact O-CG 3.33Å; D115-R119 PolarHBondContact O-N 3.37Å
116	L	84.3	Confident	81.3	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-40.9	177.6	179.9	61.7	0	0	0	111.8	I103 D106 E107 D110 S113 R119 K120	I103-L116 HydrophobicContact CG2-CD1 4.07Å; D106-L116 HydrophobicContact CB-CD1 3.88Å; E107-L116 HydrophobicContact CG-CD1 4.18Å; E107-L116 HydrophobicContact CG-CD2 4.09Å; D110-L116 WeakPolarHBondContact O-CD2 3.23Å; S113-L116 PolarHBondContact O-N 2.84Å; S113-L116 VanDerWaalsContact OG-CB 3.27Å; S113-L116 WeakPolarHBondContact OG-CB 3.38Å; S113-L116 PolarHBondContact OG-N 3.41Å; L116-R119 PolarHBondContact O-N 3.34Å; L116-K120 HydrophobicContact CD1-CD 4.44Å; L116-K120 HydrophobicContact CD1-CG 4.4Å; L116-K120 HydrophobicContact CG-CD 4.34Å; L116-K120 WeakPolarHBondContact O-CG 3.49Å; L116-K120 PolarHBondContact O-N 3.45Å
117	R	82.1	Confident	81.8	Confident	67 Å²	67	53.5 Å²	53.5	25%	0.253	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-46.7	175.5	-66.6	-170.1	-61.5	-172.7	0.2	111.2	S113 A114 D115 R119 K120 T121 N239	S113-R117 PolarHBondContact O-N 2.9Å; A114-R117 PolarHBondContact O-N 3.34Å; D115-R117 VanDerWaalsContact C-N 3.33Å; D115-R117 PolarHBondContact O-N 3.2Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 2.86Å; R117-K120 PolarHBondContact O-N 2.96Å; R117-T121 PolarHBondContact O-N 3.27Å; R117-T121 PolarHBondContact O-OG1 3.01Å; R117-N239 PolarHBondContact NH1-O 2.98Å
118	I	86.3	Confident	82.2	Confident	47 Å²	47	57.6 Å²	57.6	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-47.9	176.4	-67.7	167.1	0	0	0	110	Y32 F36 F37 A114 D115 K120 T121 Q122	Y32-I118 HydrophobicContact CE1-CD1 4.13Å; Y32-I118 WeakPolarHBondContact OH-CD1 3.39Å; F36-I118 HydrophobicContact CE1-CG2 4.03Å; F37-I118 HydrophobicContact CE1-CG2 3.93Å; F37-I118 HydrophobicContact CZ-CG2 3.95Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 3.39Å; D115-I118 PolarHBondContact O-N 3.14Å; I118-K120 PolarHBondContact O-N 3.43Å; I118-T121 PolarHBondContact O-N 2.94Å; I118-Q122 HydrophobicContact CG2-CG 4.23Å; I118-Q122 WeakPolarHBondContact O-CB 3.4Å; I118-Q122 WeakPolarHBondContact O-CG 3.47Å; I118-Q122 PolarHBondContact O-N 3.04Å
119	R	89	Confident	83	Confident	47 Å²	47	54.2 Å²	54.2	18%	0.177	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-49.8	179.1	-69	176	-174.1	-79.3	-3.7	112.3	M33 F36 I103 D106 D115 L116 R117 Q122 Y123	M33-R119 HydrophobicContact CE-CG 3.71Å; M33-R119 PolarHBondContact SD-NH2 3.07Å; F36-R119 HydrophobicContact CD1-CG 4.41Å; F36-R119 HydrophobicContact CD2-CG 4.02Å; F36-R119 HydrophobicContact CE1-CG 4.18Å; F36-R119 HydrophobicContact CE2-CB 4.17Å; F36-R119 HydrophobicContact CE2-CG 3.76Å; F36-R119 HydrophobicContact CG-CG 4.33Å; F36-R119 HydrophobicContact CZ-CB 4.08Å; F36-R119 HydrophobicContact CZ-CG 3.86Å; I103-R119 HydrophobicContact CD1-CB 4.16Å; I103-R119 HydrophobicContact CG1-CB 3.8Å; D106-R119 WeakPolarHBondContact OD2-CD 3.29Å; D106-R119 IonicContact OD2-NE 3.38Å; D106-R119 PolarHBondContact OD2-NE 3.37Å; D115-R119 WeakPolarHBondContact O-CG 3.33Å; D115-R119 PolarHBondContact O-N 3.37Å; L116-R119 PolarHBondContact O-N 3.34Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 2.86Å; R119-Q122 PolarHBondContact O-N 3Å; R119-Y123 VanDerWaalsContact O-CB 3.31Å; R119-Y123 WeakPolarHBondContact O-CB 3.37Å; R119-Y123 PolarHBondContact O-N 3.01Å
120	K	86.2	Confident	84	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-45.7	178.4	-73.1	177	175.2	174.9	0	112.9	I103 E107 L116 R117 I118 Q122 Y123 S124 M232 I236	I103-K120 HydrophobicContact CD1-CG 4.46Å; I103-K120 HydrophobicContact CG2-CD 4.42Å; I103-K120 HydrophobicContact CG2-CG 3.66Å; E107-K120 WeakPolarHBondContact OE1-CE 3.41Å; E107-K120 IonicContact OE1-NZ 2.82Å; E107-K120 PolarHBondContact OE1-NZ 3.21Å; L116-K120 HydrophobicContact CD1-CD 4.44Å; L116-K120 HydrophobicContact CD1-CG 4.4Å; L116-K120 HydrophobicContact CG-CD 4.34Å; L116-K120 WeakPolarHBondContact O-CG 3.49Å; L116-K120 PolarHBondContact O-N 3.45Å; R117-K120 PolarHBondContact O-N 2.96Å; I118-K120 PolarHBondContact O-N 3.43Å; K120-Q122 PolarHBondContact O-N 3.2Å; K120-Y123 PolarHBondContact O-N 3.39Å; K120-S124 PolarHBondContact O-N 2.95Å; K120-M232 HydrophobicContact CD-CG 4.43Å; K120-M232 HydrophobicContact CG-SD 4.08Å; K120-I236 HydrophobicContact CB-CD1 3.75Å; K120-I236 HydrophobicContact CB-CG1 4.26Å
121	T	86.1	Confident	85.2	Confident	57 Å²	57	48 Å²	48	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-44.1	179.4	-58.2	0	0	0	0	111.3	R117 I118 T125 I236	R117-T121 PolarHBondContact O-N 3.27Å; R117-T121 PolarHBondContact O-OG1 3.01Å; I118-T121 PolarHBondContact O-N 2.94Å; T121-T125 WeakPolarHBondContact O-CB 3.48Å; T121-T125 PolarHBondContact O-N 3.35Å; T121-T125 PolarHBondContact O-OG1 3.27Å; T121-I236 VanDerWaalsContact OG1-CD1 3.32Å; T121-I236 WeakPolarHBondContact OG1-CD1 3.44Å
122	Q	90.6	Very high	86.6	Confident	41 Å²	41	44.4 Å²	44.4	19%	0.192	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-46.6	177.4	-67.3	-63.5	-28.3	0	0	111.1	F36 V40 I118 R119 K120 S124 T125 I126	F36-Q122 HydrophobicContact CE1-CB 4.11Å; F36-Q122 HydrophobicContact CE1-CG 3.89Å; F36-Q122 HydrophobicContact CZ-CB 3.75Å; F36-Q122 HydrophobicContact CZ-CG 4.08Å; V40-Q122 HydrophobicContact CG2-CB 4.12Å; V40-Q122 HydrophobicContact CG2-CG 4.48Å; I118-Q122 HydrophobicContact CG2-CG 4.23Å; I118-Q122 WeakPolarHBondContact O-CB 3.4Å; I118-Q122 WeakPolarHBondContact O-CG 3.47Å; I118-Q122 PolarHBondContact O-N 3.04Å; R119-Q122 PolarHBondContact O-N 3Å; K120-Q122 PolarHBondContact O-N 3.2Å; Q122-S124 PolarHBondContact O-N 3.4Å; Q122-T125 PolarHBondContact O-N 3.11Å; Q122-I126 HydrophobicContact CB-CD1 4.47Å; Q122-I126 WeakPolarHBondContact O-CB 3.49Å; Q122-I126 WeakPolarHBondContact O-CD1 3.44Å; Q122-I126 WeakPolarHBondContact O-CG1 3.33Å; Q122-I126 PolarHBondContact O-N 3.13Å
123	Y	90	Very high	88	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-53.6	-50.3	176.3	172.9	-101.9	0	0	0	111.9	L96 M99 E100 I103 R119 K120 I126 S127 L225 Q229 M232	L96-Y123 HydrophobicContact CB-CE2 4.3Å; L96-Y123 HydrophobicContact CD2-CD2 4.11Å; L96-Y123 HydrophobicContact CD2-CE2 4.2Å; L96-Y123 WeakPolarHBondContact O-CE2 3.33Å; M99-Y123 HydrophobicContact CB-CD2 4.15Å; M99-Y123 HydrophobicContact CG-CD2 4.06Å; M99-Y123 HydrophobicContact SD-CD2 4.03Å; M99-Y123 HydrophobicContact SD-CG 4.42Å; E100-Y123 HydrophobicContact CB-CE2 3.88Å; E100-Y123 PolarHBondContact OE1-OH 3Å; I103-Y123 HydrophobicContact CD1-CD1 4.45Å; I103-Y123 HydrophobicContact CD1-CD2 4.44Å; I103-Y123 HydrophobicContact CD1-CG 3.91Å; R119-Y123 VanDerWaalsContact O-CB 3.31Å; R119-Y123 WeakPolarHBondContact O-CB 3.37Å; R119-Y123 PolarHBondContact O-N 3.01Å; K120-Y123 PolarHBondContact O-N 3.39Å; Y123-I126 PolarHBondContact O-N 2.98Å; Y123-S127 VanDerWaalsContact O-CB 3.24Å; Y123-S127 WeakPolarHBondContact O-CB 3.47Å; Y123-S127 PolarHBondContact O-N 3.47Å; Y123-S127 PolarHBondContact O-OG 3.19Å; Y123-L225 WeakPolarHBondContact OH-CD2 3.41Å; Y123-Q229 HydrophobicContact CD1-CG 4.48Å; Y123-Q229 HydrophobicContact CE1-CG 4.08Å; Y123-M232 HydrophobicContact CD1-CE 3.72Å; Y123-M232 HydrophobicContact CD1-SD 4.25Å; Y123-M232 HydrophobicContact CE1-CE 3.46Å; Y123-M232 VanDerWaalsContact CE1-CE 3.46Å
124	S	87.6	Confident	88.7	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-43.2	179.9	177.9	0	0	0	0	112.4	K120 Q122 I126 S127 R128 Q229 I233	K120-S124 PolarHBondContact O-N 2.95Å; Q122-S124 PolarHBondContact O-N 3.4Å; S124-I126 PolarHBondContact O-N 3.03Å; S124-S127 PolarHBondContact O-N 3.04Å; S124-R128 WeakPolarHBondContact O-CB 3.33Å; S124-R128 PolarHBondContact O-N 2.83Å; S124-Q229 VanDerWaalsContact CA-OE1 3.31Å; S124-Q229 PolarHBondContact O-OE1 3.4Å; S124-Q229 VanDerWaalsContact O-OE1 3.12Å; S124-Q229 PolarHBondContact OG-OE1 3.34Å; S124-I233 WeakPolarHBondContact OG-CD1 3.32Å
125	T	89.1	Confident	89.3	Confident	71 Å²	71	38.6 Å²	38.6	44%	0.436	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-45.2	-180	-57.1	0	0	0	0	111.5	T121 Q122 N129	T121-T125 WeakPolarHBondContact O-CB 3.48Å; T121-T125 PolarHBondContact O-N 3.35Å; T121-T125 PolarHBondContact O-OG1 3.27Å; Q122-T125 PolarHBondContact O-N 3.11Å; T125-N129 PolarHBondContact O-N 3.38Å; T125-N129 VanDerWaalsContact O-N 3.1Å
126	I	92.4	Very high	89.8	Confident	2 Å²	2	38 Å²	38	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-69.7	-42.5	-179.2	-63.4	165.3	0	0	0	110.5	V40 I43 I47 L96 M99 Q122 Y123 S124 R128 N129 F130	V40-I126 HydrophobicContact CB-CD1 4.11Å; V40-I126 HydrophobicContact CG1-CD1 3.68Å; V40-I126 HydrophobicContact CG2-CD1 3.88Å; I43-I126 HydrophobicContact CB-CG2 4.21Å; I43-I126 HydrophobicContact CG2-CG2 3.37Å; I47-I126 HydrophobicContact CD1-CG2 3.57Å; L96-I126 HydrophobicContact CD2-CB 4.28Å; L96-I126 HydrophobicContact CD2-CG2 3.82Å; M99-I126 HydrophobicContact CE-CD1 4.48Å; Q122-I126 HydrophobicContact CB-CD1 4.47Å; Q122-I126 WeakPolarHBondContact O-CB 3.49Å; Q122-I126 WeakPolarHBondContact O-CD1 3.44Å; Q122-I126 WeakPolarHBondContact O-CG1 3.33Å; Q122-I126 PolarHBondContact O-N 3.13Å; Y123-I126 PolarHBondContact O-N 2.98Å; S124-I126 PolarHBondContact O-N 3.03Å; I126-R128 PolarHBondContact O-N 3.17Å; I126-N129 PolarHBondContact O-N 3.08Å; I126-F130 WeakPolarHBondContact O-CB 3.39Å; I126-F130 PolarHBondContact O-N 2.96Å
127	S	90.8	Very high	90.3	Very high	3 Å²	3	38 Å²	38	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-44.3	177.9	-60.6	0	0	0	0	111.4	Y123 S124 F130 I131 Q229	Y123-S127 VanDerWaalsContact O-CB 3.24Å; Y123-S127 WeakPolarHBondContact O-CB 3.47Å; Y123-S127 PolarHBondContact O-N 3.47Å; Y123-S127 PolarHBondContact O-OG 3.19Å; S124-S127 PolarHBondContact O-N 3.04Å; S127-F130 PolarHBondContact O-N 3.19Å; S127-I131 WeakPolarHBondContact O-CD1 3.13Å; S127-I131 VanDerWaalsContact O-CG1 3.31Å; S127-I131 WeakPolarHBondContact O-CG1 3.37Å; S127-I131 PolarHBondContact O-N 3.35Å; S127-Q229 VanDerWaalsContact CB-NE2 3.3Å
128	R	88.4	Confident	90.9	Very high	127 Å²	127	37 Å²	37	48%	0.479	19%	0.186	S	C	.	.	H	α-helix	trans	-59.7	-49.1	174.9	-175.1	179.3	-63.6	153.6	2.3	111.9	S124 I126 F130 I131 E132	S124-R128 WeakPolarHBondContact O-CB 3.33Å; S124-R128 PolarHBondContact O-N 2.83Å; I126-R128 PolarHBondContact O-N 3.17Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-F130 PolarHBondContact O-N 3.19Å; R128-I131 PolarHBondContact O-N 3.48Å; R128-E132 WeakPolarHBondContact CG-OE1 3.4Å; R128-E132 WeakPolarHBondContact O-CG 3.43Å; R128-E132 PolarHBondContact O-N 2.93Å
129	N	91.9	Very high	91.3	Very high	66 Å²	66	41.1 Å²	41.1	35%	0.353	20%	0.202	S	C	.	.	H	α-helix	trans	-58.5	-46.4	177.6	-174.1	3.3	0	0	0	111.2	T125 I126 I131 E132 V133	T125-N129 PolarHBondContact O-N 3.38Å; T125-N129 VanDerWaalsContact O-N 3.1Å; I126-N129 PolarHBondContact O-N 3.08Å; N129-I131 VanDerWaalsContact C-N 3.32Å; N129-I131 PolarHBondContact O-N 3.43Å; N129-E132 WeakPolarHBondContact O-CB 3.24Å; N129-E132 PolarHBondContact O-N 3.06Å; N129-E132 VanDerWaalsContact O-N 3.16Å; N129-V133 WeakPolarHBondContact O-CG2 3.29Å; N129-V133 PolarHBondContact O-N 3.41Å
130	F	93.4	Very high	91.6	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-43.7	178	-177.8	-133.2	0	0	0	112.4	I47 A89 V92 R93 L96 I126 S127 R128 V133 M134 M218 M222	I47-F130 HydrophobicContact CD1-CB 3.85Å; I47-F130 HydrophobicContact CG1-CB 4.23Å; I47-F130 HydrophobicContact CG1-CD2 4.14Å; A89-F130 HydrophobicContact CB-CE2 4.07Å; A89-F130 HydrophobicContact CB-CZ 3.93Å; A89-F130 WeakPolarHBondContact O-CZ 3.48Å; V92-F130 HydrophobicContact CB-CD2 4.25Å; V92-F130 HydrophobicContact CB-CE1 4.38Å; V92-F130 HydrophobicContact CB-CE2 3.94Å; V92-F130 HydrophobicContact CB-CZ 4.02Å; V92-F130 HydrophobicContact CG1-CB 4.24Å; V92-F130 HydrophobicContact CG1-CD1 3.72Å; V92-F130 HydrophobicContact CG1-CD2 3.59Å; V92-F130 HydrophobicContact CG1-CE1 3.86Å; V92-F130 HydrophobicContact CG1-CE2 3.76Å; V92-F130 HydrophobicContact CG1-CG 3.58Å; V92-F130 HydrophobicContact CG1-CZ 3.89Å; V92-F130 HydrophobicContact CG2-CE2 4.47Å; R93-F130 HydrophobicContact CB-CE1 4.47Å; L96-F130 HydrophobicContact CD1-CB 4.4Å; L96-F130 HydrophobicContact CD1-CD1 3.84Å; L96-F130 HydrophobicContact CD1-CG 4.43Å; I126-F130 WeakPolarHBondContact O-CB 3.39Å; I126-F130 PolarHBondContact O-N 2.96Å; S127-F130 PolarHBondContact O-N 3.19Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-F130 PolarHBondContact O-N 3.19Å; F130-V133 PolarHBondContact O-N 2.63Å; F130-M134 HydrophobicContact CD2-CG 3.84Å; F130-M134 HydrophobicContact CD2-SD 4.44Å; F130-M134 HydrophobicContact CE1-CG 4.46Å; F130-M134 HydrophobicContact CE2-CG 3.48Å; F130-M134 VanDerWaalsContact CE2-CG 3.48Å; F130-M134 HydrophobicContact CE2-SD 3.71Å; F130-M134 HydrophobicContact CG-CG 4.46Å; F130-M134 HydrophobicContact CZ-CG 3.83Å; F130-M134 HydrophobicContact CZ-SD 4.23Å; F130-M134 WeakPolarHBondContact O-CB 3.49Å; F130-M134 VanDerWaalsContact O-CG 3.26Å; F130-M134 WeakPolarHBondContact O-CG 3.38Å; F130-M134 PolarHBondContact O-N 2.66Å; F130-M218 HydrophobicContact CZ-SD 4.06Å; F130-M222 HydrophobicContact CD1-SD 3.34Å; F130-M222 WeakPolarHBondContact CD1-SD 3.27Å; F130-M222 HydrophobicContact CE1-CE 4.34Å; F130-M222 HydrophobicContact CE1-CG 4.29Å; F130-M222 HydrophobicContact CE1-SD 3.14Å; F130-M222 WeakPolarHBondContact CE1-SD 3.38Å; F130-M222 HydrophobicContact CG-SD 4.4Å; F130-M222 HydrophobicContact CZ-SD 4.08Å
131	I	90.6	Very high	92	Very high	39 Å²	39	39.1 Å²	39.1	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-40.3	177.9	-68.4	158	0	0	0	111.6	S127 R128 N129 M134 T135 M222 V226	S127-I131 WeakPolarHBondContact O-CD1 3.13Å; S127-I131 VanDerWaalsContact O-CG1 3.31Å; S127-I131 WeakPolarHBondContact O-CG1 3.37Å; S127-I131 PolarHBondContact O-N 3.35Å; R128-I131 PolarHBondContact O-N 3.48Å; N129-I131 VanDerWaalsContact C-N 3.32Å; N129-I131 PolarHBondContact O-N 3.43Å; I131-M134 PolarHBondContact O-N 3.42Å; I131-T135 WeakPolarHBondContact O-CB 3.42Å; I131-T135 PolarHBondContact O-N 2.85Å; I131-T135 PolarHBondContact O-OG1 3.49Å; I131-M222 HydrophobicContact CG1-CB 4.46Å; I131-M222 HydrophobicContact CG1-SD 4.08Å; I131-V226 HydrophobicContact CD1-CG2 3.07Å; I131-V226 HydrophobicContact CG1-CG2 4.4Å
132	E	91.5	Very high	92.3	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	20%	0.197	S	C	*	.	H	α-helix	trans	-59.1	-49.2	175.9	-73.8	172.9	-170.4	0	0	111.1	R128 N129 T135 D136	R128-E132 WeakPolarHBondContact CG-OE1 3.4Å; R128-E132 WeakPolarHBondContact O-CG 3.43Å; R128-E132 PolarHBondContact O-N 2.93Å; N129-E132 WeakPolarHBondContact O-CB 3.24Å; N129-E132 PolarHBondContact O-N 3.06Å; N129-E132 VanDerWaalsContact O-N 3.16Å; E132-T135 PolarHBondContact O-N 3.04Å; E132-D136 PolarHBondContact O-N 3.12Å
133	V	94.8	Very high	92.6	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-46.3	177.6	177.7	0	0	0	0	111.7	I47 V50 Q51 V54 N129 F130 T135 D136 Y137	I47-V133 HydrophobicContact CG2-CB 4.47Å; I47-V133 HydrophobicContact CG2-CG2 3.73Å; V50-V133 HydrophobicContact CB-CG1 4.08Å; V50-V133 HydrophobicContact CG1-CG1 3.59Å; Q51-V133 HydrophobicContact CB-CG1 4.18Å; Q51-V133 HydrophobicContact CB-CG2 4.37Å; V54-V133 HydrophobicContact CG2-CG1 4.49Å; N129-V133 WeakPolarHBondContact O-CG2 3.29Å; N129-V133 PolarHBondContact O-N 3.41Å; F130-V133 PolarHBondContact O-N 2.63Å; V133-T135 VanDerWaalsContact C-N 3.3Å; V133-T135 PolarHBondContact O-N 3.24Å; V133-D136 PolarHBondContact O-N 3.34Å; V133-Y137 PolarHBondContact O-N 3.29Å
134	M	93.6	Very high	92.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-32.5	179.4	-65.7	-53.3	-63.8	0	0	112	V50 A89 F130 I131 Y137 N138 L215 M218 F219 M222	V50-M134 HydrophobicContact CG1-SD 4.04Å; A89-M134 HydrophobicContact CB-CE 3.89Å; A89-M134 HydrophobicContact CB-SD 3.93Å; F130-M134 HydrophobicContact CD2-CG 3.84Å; F130-M134 HydrophobicContact CD2-SD 4.44Å; F130-M134 HydrophobicContact CE1-CG 4.46Å; F130-M134 HydrophobicContact CE2-CG 3.48Å; F130-M134 VanDerWaalsContact CE2-CG 3.48Å; F130-M134 HydrophobicContact CE2-SD 3.71Å; F130-M134 HydrophobicContact CG-CG 4.46Å; F130-M134 HydrophobicContact CZ-CG 3.83Å; F130-M134 HydrophobicContact CZ-SD 4.23Å; F130-M134 WeakPolarHBondContact O-CB 3.49Å; F130-M134 VanDerWaalsContact O-CG 3.26Å; F130-M134 WeakPolarHBondContact O-CG 3.38Å; F130-M134 PolarHBondContact O-N 2.66Å; I131-M134 PolarHBondContact O-N 3.42Å; M134-Y137 HydrophobicContact CE-CD1 4.04Å; M134-Y137 WeakPolarHBondContact O-CB 3.3Å; M134-Y137 PolarHBondContact O-N 2.97Å; M134-N138 PolarHBondContact O-N 3.06Å; M134-L215 HydrophobicContact CE-CD2 3.19Å; M134-M218 HydrophobicContact CE-SD 3.98Å; M134-F219 HydrophobicContact CB-CE1 4.11Å; M134-F219 HydrophobicContact CB-CZ 3.87Å; M134-F219 WeakPolarHBondContact O-CZ 3.42Å; M134-M222 HydrophobicContact CB-CE 4.26Å; M134-M222 HydrophobicContact CG-CE 4.31Å
135	T	92.1	Very high	93.1	Very high	48 Å²	48	41.9 Å²	41.9	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-67.4	-41	174.3	-60.8	0	0	0	0	111	I131 E132 V133 Y137 N138 K139	I131-T135 WeakPolarHBondContact O-CB 3.42Å; I131-T135 PolarHBondContact O-N 2.85Å; I131-T135 PolarHBondContact O-OG1 3.49Å; E132-T135 PolarHBondContact O-N 3.04Å; V133-T135 VanDerWaalsContact C-N 3.3Å; V133-T135 PolarHBondContact O-N 3.24Å; T135-Y137 VanDerWaalsContact C-N 3.34Å; T135-N138 PolarHBondContact O-N 3.39Å; T135-K139 HydrophobicContact CG2-CD 4.45Å; T135-K139 WeakPolarHBondContact O-CG 3.46Å; T135-K139 PolarHBondContact O-N 2.96Å
136	D	94.9	Very high	93.4	Very high	45 Å²	45	41.8 Å²	41.8	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-41	173.2	-175.3	42.5	0	0	0	111.7	Q51 K58 E132 V133 K139 A140	Q51-D136 PolarHBondContact NE2-OD2 3.32Å; K58-D136 IonicContact NZ-OD1 3.41Å; K58-D136 PolarHBondContact NZ-OD1 3.45Å; K58-D136 IonicContact NZ-OD2 3.77Å; K58-D136 PolarHBondContact NZ-OD2 2.85Å; E132-D136 PolarHBondContact O-N 3.12Å; V133-D136 PolarHBondContact O-N 3.34Å; D136-K139 PolarHBondContact O-N 3.38Å; D136-A140 PolarHBondContact O-N 2.96Å
137	Y	95.4	Very high	93.5	Very high	3 Å²	3	43 Å²	43	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-49.3	171.9	-178	-135.2	0	0	0	112.2	V54 V57 I85 V133 M134 T135 K139 A140 Q141 S211 L215	V54-Y137 HydrophobicContact CG2-CD2 3.87Å; V54-Y137 HydrophobicContact CG2-CG 3.96Å; V57-Y137 HydrophobicContact CG1-CE2 4.27Å; V57-Y137 HydrophobicContact CG2-CE2 4.46Å; I85-Y137 HydrophobicContact CD1-CD2 4.01Å; I85-Y137 HydrophobicContact CD1-CE2 3.66Å; I85-Y137 HydrophobicContact CG2-CD1 3.88Å; I85-Y137 HydrophobicContact CG2-CE1 3.61Å; I85-Y137 HydrophobicContact CG2-CG 4.43Å; V133-Y137 PolarHBondContact O-N 3.29Å; M134-Y137 HydrophobicContact CE-CD1 4.04Å; M134-Y137 WeakPolarHBondContact O-CB 3.3Å; M134-Y137 PolarHBondContact O-N 2.97Å; T135-Y137 VanDerWaalsContact C-N 3.34Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 3.31Å; Y137-A140 WeakPolarHBondContact O-CB 3.31Å; Y137-A140 PolarHBondContact O-N 3.47Å; Y137-A140 VanDerWaalsContact O-N 3.14Å; Y137-Q141 HydrophobicContact CD2-CG 4.18Å; Y137-Q141 HydrophobicContact CE2-CG 3.86Å; Y137-Q141 WeakPolarHBondContact O-CG 3.47Å; Y137-Q141 PolarHBondContact O-N 3.48Å; Y137-Q141 PolarHBondContact OH-NE2 3.02Å; Y137-S211 PolarHBondContact OH-OG 3.49Å; Y137-L215 HydrophobicContact CD1-CD1 3.47Å; Y137-L215 VanDerWaalsContact CD1-CD1 3.47Å; Y137-L215 HydrophobicContact CD1-CD2 3.64Å; Y137-L215 HydrophobicContact CD1-CG 4.12Å; Y137-L215 HydrophobicContact CE1-CD1 3.35Å; Y137-L215 HydrophobicContact CE1-CD2 3.64Å; Y137-L215 HydrophobicContact CE1-CG 3.87Å; Y137-L215 HydrophobicContact CG-CD1 4.48Å
138	N	93.6	Very high	93.5	Very high	46 Å²	46	42.9 Å²	42.9	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-40	178	-175.2	66.4	0	0	0	112.3	M134 T135 A140 Q141 V142 F219	M134-N138 PolarHBondContact O-N 3.06Å; T135-N138 PolarHBondContact O-N 3.39Å; N138-A140 VanDerWaalsContact C-N 3.34Å; N138-A140 PolarHBondContact O-N 2.95Å; N138-Q141 PolarHBondContact O-N 3.35Å; N138-V142 WeakPolarHBondContact O-CG2 3.41Å; N138-V142 PolarHBondContact O-N 3.26Å; N138-F219 HydrophobicContact CB-CE2 4Å; N138-F219 HydrophobicContact CB-CZ 4.25Å
139	K	94.8	Very high	93.8	Very high	133 Å²	133	37.9 Å²	37.9	58%	0.578	21%	0.205	S	C	*	.	H	α-helix	trans	-60.7	-42.5	174.1	-74.7	171.5	-180	173	0	111.9	T135 D136 Y137 Q141 A143	T135-K139 HydrophobicContact CG2-CD 4.45Å; T135-K139 WeakPolarHBondContact O-CG 3.46Å; T135-K139 PolarHBondContact O-N 2.96Å; D136-K139 PolarHBondContact O-N 3.38Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 3.31Å; K139-Q141 VanDerWaalsContact C-N 3.34Å; K139-A143 VanDerWaalsContact O-CB 3.31Å; K139-A143 WeakPolarHBondContact O-CB 3.48Å; K139-A143 PolarHBondContact O-N 2.94Å
140	A	95.3	Very high	93.8	Very high	11 Å²	11	39.5 Å²	39.5	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-42.9	176.1	0	0	0	0	0	111.8	K58 D136 Y137 N138 A143 F144	K58-A140 HydrophobicContact CD-CB 4.43Å; K58-A140 HydrophobicContact CG-CB 3.72Å; D136-A140 PolarHBondContact O-N 2.96Å; Y137-A140 WeakPolarHBondContact O-CB 3.31Å; Y137-A140 PolarHBondContact O-N 3.47Å; Y137-A140 VanDerWaalsContact O-N 3.14Å; N138-A140 VanDerWaalsContact C-N 3.34Å; N138-A140 PolarHBondContact O-N 2.95Å; A140-A143 PolarHBondContact O-N 3.14Å; A140-F144 PolarHBondContact O-N 3.49Å
141	Q	94.3	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-48.1	177.9	-66.3	-61.6	19.9	0	0	112.1	H61 Y137 N138 K139 A143 F144 R145 L208 I212	H61-Q141 PolarHBondContact NE2-OE1 2.96Å; H61-Q141 VanDerWaalsContact NE2-OE1 3.07Å; Y137-Q141 HydrophobicContact CD2-CG 4.18Å; Y137-Q141 HydrophobicContact CE2-CG 3.86Å; Y137-Q141 WeakPolarHBondContact O-CG 3.47Å; Y137-Q141 PolarHBondContact O-N 3.48Å; Y137-Q141 PolarHBondContact OH-NE2 3.02Å; N138-Q141 PolarHBondContact O-N 3.35Å; K139-Q141 VanDerWaalsContact C-N 3.34Å; Q141-A143 PolarHBondContact O-N 2.98Å; Q141-F144 PolarHBondContact O-N 2.65Å; Q141-R145 WeakPolarHBondContact O-CB 3.33Å; Q141-R145 PolarHBondContact O-N 2.75Å; Q141-L208 HydrophobicContact CB-CD1 3.64Å; Q141-L208 HydrophobicContact CG-CD1 3.98Å; Q141-L208 WeakPolarHBondContact O-CD2 3.48Å; Q141-I212 HydrophobicContact CB-CD1 4.04Å; Q141-I212 HydrophobicContact CB-CG1 3.92Å
142	V	94	Very high	93.7	Very high	58 Å²	58	41.3 Å²	41.3	35%	0.352	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-42.2	176.6	174.2	0	0	0	0	111.4	N138 F144 R145 D146	N138-V142 WeakPolarHBondContact O-CG2 3.41Å; N138-V142 PolarHBondContact O-N 3.26Å; V142-F144 VanDerWaalsContact C-N 3.33Å; V142-F144 PolarHBondContact O-N 3.26Å; V142-R145 VanDerWaalsContact O-CB 3.3Å; V142-R145 WeakPolarHBondContact O-CB 3.34Å; V142-R145 PolarHBondContact O-N 3.09Å; V142-D146 PolarHBondContact O-N 2.92Å
143	A	95.4	Very high	93.7	Very high	60 Å²	60	37.9 Å²	37.9	50%	0.496	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-40.3	177.3	0	0	0	0	0	112.4	K139 A140 Q141 A147	K139-A143 VanDerWaalsContact O-CB 3.31Å; K139-A143 WeakPolarHBondContact O-CB 3.48Å; K139-A143 PolarHBondContact O-N 2.94Å; A140-A143 PolarHBondContact O-N 3.14Å; Q141-A143 PolarHBondContact O-N 2.98Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 2.88Å
144	F	94.7	Very high	93.5	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-40.1	175.2	-177.1	-115.5	0	0	0	112.1	H61 I64 L65 A140 Q141 V142 D146 A147 C148 D204 L208	H61-F144 HydrophobicContact CB-CB 4.32Å; H61-F144 HydrophobicContact CB-CD2 3.45Å; H61-F144 VanDerWaalsContact CB-CD2 3.45Å; H61-F144 HydrophobicContact CB-CE2 3.91Å; H61-F144 HydrophobicContact CB-CG 4.01Å; H61-F144 AromaticContact CD2-CG 3.79Å; H61-F144 AromaticContact CE1-CD1 3.31Å; H61-F144 WeakPolarHBondContact CE1-CD1 3.46Å; H61-F144 AromaticContact CE1-CE1 3.76Å; H61-F144 AromaticContact CE1-CG 3.52Å; H61-F144 AromaticContact CG-CD2 3.42Å; H61-F144 VanDerWaalsContact CG-CD2 3.42Å; H61-F144 AromaticContact CG-CE2 3.95Å; H61-F144 AromaticContact CG-CG 3.47Å; H61-F144 VanDerWaalsContact CG-CG 3.47Å; H61-F144 AromaticContact ND1-CD1 3.38Å; H61-F144 WeakPolarHBondContact ND1-CD1 3.45Å; H61-F144 AromaticContact ND1-CD2 3.39Å; H61-F144 WeakPolarHBondContact ND1-CD2 3.46Å; H61-F144 AromaticContact ND1-CE1 3.59Å; H61-F144 AromaticContact ND1-CE2 3.57Å; H61-F144 AromaticContact ND1-CG 3.29Å; H61-F144 VanDerWaalsContact ND1-CG 3.29Å; H61-F144 WeakPolarHBondContact ND1-CG 3.4Å; H61-F144 AromaticContact ND1-CZ 3.68Å; H61-F144 AromaticContact NE2-CD1 3.93Å; H61-F144 AromaticContact NE2-CG 3.83Å; I64-F144 HydrophobicContact CB-CE2 4.48Å; I64-F144 HydrophobicContact CG2-CE2 4.16Å; I64-F144 HydrophobicContact CG2-CZ 3.95Å; L65-F144 HydrophobicContact CD1-CD2 4.02Å; L65-F144 HydrophobicContact CD1-CE2 4.3Å; L65-F144 HydrophobicContact CD2-CD2 4.45Å; L65-F144 HydrophobicContact CD2-CE2 4.15Å; L65-F144 HydrophobicContact CG-CD2 4.17Å; L65-F144 HydrophobicContact CG-CE2 3.92Å; A140-F144 PolarHBondContact O-N 3.49Å; Q141-F144 PolarHBondContact O-N 2.65Å; V142-F144 VanDerWaalsContact C-N 3.33Å; V142-F144 PolarHBondContact O-N 3.26Å; F144-D146 PolarHBondContact O-N 3.04Å; F144-A147 PolarHBondContact O-N 3.39Å; F144-C148 PolarHBondContact O-N 3.31Å; F144-D204 HydrophobicContact CE1-CB 4.35Å; F144-L208 HydrophobicContact CD1-CD1 4.49Å; F144-L208 HydrophobicContact CD1-CD2 3.79Å
145	R	94.5	Very high	93.2	Very high	34 Å²	34	46.8 Å²	46.8	13%	0.128	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-51.1	174.8	-167.5	-96.1	-175.4	-160	-4.9	111.4	Q141 V142 A147 C148 K149 E169 I205 L208 E209	Q141-R145 WeakPolarHBondContact O-CB 3.33Å; Q141-R145 PolarHBondContact O-N 2.75Å; V142-R145 VanDerWaalsContact O-CB 3.3Å; V142-R145 WeakPolarHBondContact O-CB 3.34Å; V142-R145 PolarHBondContact O-N 3.09Å; R145-A147 VanDerWaalsContact C-N 3.35Å; R145-A147 PolarHBondContact O-N 3.27Å; R145-C148 PolarHBondContact O-N 2.92Å; R145-K149 PolarHBondContact O-N 3.34Å; R145-E169 IonicContact CZ-OE1 2.76Å; R145-E169 IonicContact CZ-OE2 2.66Å; R145-E169 VanDerWaalsContact CZ-OE2 3.3Å; R145-E169 IonicContact NH1-OE1 2.94Å; R145-E169 PolarHBondContact NH1-OE1 2.98Å; R145-E169 IonicContact NH1-OE2 2.75Å; R145-E169 PolarHBondContact NH1-OE2 3.37Å; R145-E169 VanDerWaalsContact NH1-OE2 3.16Å; R145-E169 IonicContact NH2-OE1 3.44Å; R145-E169 IonicContact NH2-OE2 2.65Å; R145-E169 PolarHBondContact NH2-OE2 3.45Å; R145-I205 HydrophobicContact CG-CG2 4.43Å; R145-L208 VanDerWaalsContact CA-CD2 3.42Å; R145-L208 HydrophobicContact CB-CD2 3.38Å; R145-L208 HydrophobicContact CB-CG 4.42Å; R145-L208 HydrophobicContact CG-CD2 3.93Å; R145-E209 IonicContact NH2-OE1 3.66Å
146	D	94.7	Very high	93	Very high	70 Å²	70	44.5 Å²	44.5	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-66.6	-37.1	-179.5	-70.4	-19.2	0	0	0	111.9	V142 F144 K149 N150	V142-D146 PolarHBondContact O-N 2.92Å; F144-D146 PolarHBondContact O-N 3.04Å; D146-K149 PolarHBondContact O-N 3.41Å; D146-N150 WeakPolarHBondContact O-CB 3.44Å; D146-N150 VanDerWaalsContact O-CG 3.25Å; D146-N150 PolarHBondContact O-N 2.65Å; D146-N150 PolarHBondContact O-ND2 3.4Å; D146-N150 VanDerWaalsContact O-ND2 3.11Å
147	A	93.8	Very high	92.6	Very high	27 Å²	27	46.5 Å²	46.5	22%	0.223	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-42.3	173.9	0	0	0	0	0	112.2	L65 A143 F144 R145 N150 R151	L65-A147 HydrophobicContact CD1-CB 3.62Å; L65-A147 HydrophobicContact CD2-CB 3.94Å; L65-A147 HydrophobicContact CG-CB 4.47Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 2.88Å; F144-A147 PolarHBondContact O-N 3.39Å; R145-A147 VanDerWaalsContact C-N 3.35Å; R145-A147 PolarHBondContact O-N 3.27Å; A147-N150 PolarHBondContact O-N 2.88Å; A147-R151 WeakPolarHBondContact O-CG 3.22Å; A147-R151 PolarHBondContact O-N 3.02Å; A147-R151 VanDerWaalsContact O-N 3.12Å
148	C	92.6	Very high	92.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-44.2	174	-80.5	0	0	0	0	111.9	F144 R145 N150 R151 I152 I205	F144-C148 PolarHBondContact O-N 3.31Å; R145-C148 PolarHBondContact O-N 2.92Å; C148-N150 VanDerWaalsContact C-N 3.33Å; C148-N150 PolarHBondContact O-N 3.46Å; C148-R151 WeakPolarHBondContact O-CB 3.46Å; C148-R151 PolarHBondContact O-N 3.39Å; C148-R151 VanDerWaalsContact O-N 3.14Å; C148-I152 WeakPolarHBondContact O-CG1 3.48Å; C148-I152 PolarHBondContact O-N 3.45Å; C148-I205 HydrophobicContact CB-CD1 3.81Å; C148-I205 HydrophobicContact CB-CG1 3.66Å
149	K	93.2	Very high	91.7	Very high	22 Å²	22	48.3 Å²	48.3	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-47.2	174.6	179.5	-176.3	179.4	-169	0	111.5	R145 D146 R151 I152 K153 N165 L168 E169 L172	R145-K149 PolarHBondContact O-N 3.34Å; D146-K149 PolarHBondContact O-N 3.41Å; K149-R151 VanDerWaalsContact C-N 3.26Å; K149-R151 PolarHBondContact O-N 3.32Å; K149-I152 PolarHBondContact O-N 3.03Å; K149-K153 PolarHBondContact O-N 3.38Å; K149-N165 PolarHBondContact NZ-O 3.01Å; K149-L168 HydrophobicContact CD-CD2 4.5Å; K149-L168 HydrophobicContact CG-CD2 3.72Å; K149-L168 HydrophobicContact CG-CG 4.26Å; K149-E169 VanDerWaalsContact CD-OE1 3.29Å; K149-E169 WeakPolarHBondContact CD-OE1 3.31Å; K149-E169 VanDerWaalsContact CE-OE1 3.24Å; K149-E169 WeakPolarHBondContact CE-OE1 3.48Å; K149-E169 VanDerWaalsContact NZ-CG 3.26Å; K149-E169 IonicContact NZ-OE1 2.65Å; K149-E169 PolarHBondContact NZ-OE1 2.93Å; K149-L172 HydrophobicContact CB-CD1 4.27Å; K149-L172 HydrophobicContact CD-CD1 4.35Å; K149-L172 HydrophobicContact CG-CD1 3.96Å
150	N	92.9	Very high	91	Very high	100 Å²	100	50.9 Å²	50.9	54%	0.535	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-33.9	179	-74.6	-33.6	0	0	0	112.5	D146 A147 C148 R154	D146-N150 WeakPolarHBondContact O-CB 3.44Å; D146-N150 VanDerWaalsContact O-CG 3.25Å; D146-N150 PolarHBondContact O-N 2.65Å; D146-N150 PolarHBondContact O-ND2 3.4Å; D146-N150 VanDerWaalsContact O-ND2 3.11Å; A147-N150 PolarHBondContact O-N 2.88Å; C148-N150 VanDerWaalsContact C-N 3.33Å; C148-N150 PolarHBondContact O-N 3.46Å; N150-R154 WeakPolarHBondContact O-CB 3.26Å; N150-R154 PolarHBondContact O-N 2.88Å
151	R	90.9	Very high	90.3	Very high	78 Å²	78	54 Å²	54	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-45.1	173.8	-75.6	178.3	169.1	-131.8	-13.5	113	L65 A147 C148 K149 K153 R154 Q155	L65-R151 PolarHBondContact O-NH1 3.37Å; L65-R151 PolarHBondContact O-NH2 3.29Å; A147-R151 WeakPolarHBondContact O-CG 3.22Å; A147-R151 PolarHBondContact O-N 3.02Å; A147-R151 VanDerWaalsContact O-N 3.12Å; C148-R151 WeakPolarHBondContact O-CB 3.46Å; C148-R151 PolarHBondContact O-N 3.39Å; C148-R151 VanDerWaalsContact O-N 3.14Å; K149-R151 VanDerWaalsContact C-N 3.26Å; K149-R151 PolarHBondContact O-N 3.32Å; R151-K153 VanDerWaalsContact C-N 3.29Å; R151-K153 PolarHBondContact O-N 3.48Å; R151-R154 WeakPolarHBondContact O-CB 3.42Å; R151-R154 PolarHBondContact O-N 2.97Å; R151-R154 VanDerWaalsContact O-N 3.13Å; R151-Q155 WeakPolarHBondContact O-CG 3.49Å; R151-Q155 PolarHBondContact O-N 2.69Å
152	I	90.4	Very high	89.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-48	175.5	-67.7	169.8	0	0	0	109.4	C148 K149 R154 Q155 M156 L168 L172 F180 I198 R201 H202 I205	C148-I152 WeakPolarHBondContact O-CG1 3.48Å; C148-I152 PolarHBondContact O-N 3.45Å; K149-I152 PolarHBondContact O-N 3.03Å; I152-R154 VanDerWaalsContact C-N 3.3Å; I152-R154 PolarHBondContact O-N 3.21Å; I152-Q155 PolarHBondContact O-N 2.78Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; I152-M156 HydrophobicContact CG2-CG 4.34Å; I152-M156 VanDerWaalsContact O-CG 3.27Å; I152-M156 WeakPolarHBondContact O-CG 3.47Å; I152-M156 PolarHBondContact O-N 3Å; I152-L168 HydrophobicContact CG2-CD1 3.67Å; I152-L172 HydrophobicContact CD1-CD2 3.81Å; I152-F180 HydrophobicContact CG2-CE1 3.86Å; I152-F180 HydrophobicContact CG2-CZ 4.36Å; I152-I198 HydrophobicContact CG1-CG2 4.48Å; I152-I198 HydrophobicContact CG2-CG1 4.22Å; I152-I198 HydrophobicContact CG2-CG2 3.91Å; I152-R201 HydrophobicContact CD1-CB 3.89Å; I152-R201 HydrophobicContact CG1-CB 3.72Å; I152-H202 HydrophobicContact CD1-CB 4.37Å; I152-I205 HydrophobicContact CD1-CD1 3.73Å
153	K	91.8	Very high	89.4	Confident	48 Å²	48	61.2 Å²	61.2	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-54.2	-47	175	-170.5	177.2	179.1	177.7	0	112	K149 R151 Q155 M156 E157 I163 N165 L168	K149-K153 PolarHBondContact O-N 3.38Å; R151-K153 VanDerWaalsContact C-N 3.29Å; R151-K153 PolarHBondContact O-N 3.48Å; K153-Q155 PolarHBondContact O-N 3.29Å; K153-M156 WeakPolarHBondContact O-CB 3.39Å; K153-M156 PolarHBondContact O-N 3.16Å; K153-E157 WeakPolarHBondContact O-CG 3.46Å; K153-E157 PolarHBondContact O-N 3.33Å; K153-I163 HydrophobicContact CG-CG2 4.32Å; K153-N165 PolarHBondContact NZ-OD1 3.16Å; K153-L168 HydrophobicContact CB-CD2 3.66Å; K153-L168 HydrophobicContact CG-CD2 4.27Å
154	R	90.4	Very high	89.2	Confident	151 Å²	151	60.7 Å²	60.7	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-62.5	-40.8	178.9	-177.9	57.7	175	174.1	1.2	112.4	N150 R151 I152 E157 I158	N150-R154 WeakPolarHBondContact O-CB 3.26Å; N150-R154 PolarHBondContact O-N 2.88Å; R151-R154 WeakPolarHBondContact O-CB 3.42Å; R151-R154 PolarHBondContact O-N 2.97Å; R151-R154 VanDerWaalsContact O-N 3.13Å; I152-R154 VanDerWaalsContact C-N 3.3Å; I152-R154 PolarHBondContact O-N 3.21Å; R154-E157 IonicContact NH1-OE2 2.75Å; R154-E157 PolarHBondContact O-N 3.24Å; R154-I158 HydrophobicContact CG-CD1 4.23Å; R154-I158 VanDerWaalsContact O-CG1 3.28Å; R154-I158 WeakPolarHBondContact O-CG1 3.44Å; R154-I158 PolarHBondContact O-N 2.93Å; R154-I158 VanDerWaalsContact O-N 3.08Å
155	Q	87.7	Confident	89	Confident	40 Å²	40	64.4 Å²	64.4	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-36.2	177	-68.7	-63.6	-6.9	0	0	112.2	R151 I152 K153 I158 A159 S194 D197 I198	R151-Q155 WeakPolarHBondContact O-CG 3.49Å; R151-Q155 PolarHBondContact O-N 2.69Å; I152-Q155 PolarHBondContact O-N 2.78Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; K153-Q155 PolarHBondContact O-N 3.29Å; Q155-I158 PolarHBondContact O-N 2.84Å; Q155-A159 PolarHBondContact O-N 3.42Å; Q155-S194 PolarHBondContact OE1-OG 3.11Å; Q155-D197 HydrophobicContact CG-CB 4.32Å; Q155-D197 WeakPolarHBondContact CG-OD2 3.34Å; Q155-D197 PolarHBondContact NE2-OD2 3.42Å; Q155-I198 HydrophobicContact CB-CD1 3.7Å; Q155-I198 HydrophobicContact CB-CG1 3.56Å; Q155-I198 HydrophobicContact CG-CG1 4.32Å
156	M	87	Confident	88.9	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-43.3	173.3	-67.9	-69.6	-85.6	0	0	111.5	I152 K153 I158 A159 E160 R161 I163 M171 F180 E183 I184 I198	I152-M156 HydrophobicContact CG2-CG 4.34Å; I152-M156 VanDerWaalsContact O-CG 3.27Å; I152-M156 WeakPolarHBondContact O-CG 3.47Å; I152-M156 PolarHBondContact O-N 3Å; K153-M156 WeakPolarHBondContact O-CB 3.39Å; K153-M156 PolarHBondContact O-N 3.16Å; M156-I158 VanDerWaalsContact C-N 3.32Å; M156-I158 PolarHBondContact O-N 3.01Å; M156-A159 CarbonylContact O-C 3.59Å; M156-A159 PolarHBondContact O-N 3.39Å; M156-A159 VanDerWaalsContact O-N 3.17Å; M156-E160 PolarHBondContact O-N 2.95Å; M156-R161 CarbonylContact C-O 3.5Å; M156-R161 VanDerWaalsContact C-O 3.3Å; M156-R161 HydrophobicContact CE-CG 4.48Å; M156-R161 PolarHBondContact O-N 3.35Å; M156-R161 VanDerWaalsContact O-O 3.13Å; M156-I163 HydrophobicContact CB-CG2 4.14Å; M156-I163 HydrophobicContact CE-CD1 4.25Å; M156-M171 HydrophobicContact CE-CE 4.08Å; M156-M171 HydrophobicContact CE-SD 4.45Å; M156-F180 HydrophobicContact CE-CD1 4.38Å; M156-F180 HydrophobicContact SD-CD1 4.25Å; M156-E183 HydrophobicContact CE-CB 4.36Å; M156-E183 WeakPolarHBondContact CE-OE2 3.46Å; M156-I184 HydrophobicContact SD-CD1 3.7Å; M156-I184 HydrophobicContact SD-CG1 3.93Å; M156-I198 HydrophobicContact CG-CD1 3.89Å; M156-I198 HydrophobicContact SD-CD1 3.61Å
157	E	88.1	Confident	88.6	Confident	86 Å²	86	71.3 Å²	71.3	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-36.8	174.9	-71.8	173.6	-179.5	0	0	112.5	K153 R154 A159 E160	K153-E157 WeakPolarHBondContact O-CG 3.46Å; K153-E157 PolarHBondContact O-N 3.33Å; R154-E157 IonicContact NH1-OE2 2.75Å; R154-E157 PolarHBondContact O-N 3.24Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-E160 PolarHBondContact O-N 3.4Å; E157-E160 VanDerWaalsContact O-N 3.16Å
158	I	85.9	Confident	88.5	Confident	62 Å²	62	70 Å²	70	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-67.3	-34.8	175.4	-69.8	165.2	0	0	0	111.2	R154 Q155 M156 E160 Q190	R154-I158 HydrophobicContact CG-CD1 4.23Å; R154-I158 VanDerWaalsContact O-CG1 3.28Å; R154-I158 WeakPolarHBondContact O-CG1 3.44Å; R154-I158 PolarHBondContact O-N 2.93Å; R154-I158 VanDerWaalsContact O-N 3.08Å; Q155-I158 PolarHBondContact O-N 2.84Å; M156-I158 VanDerWaalsContact C-N 3.32Å; M156-I158 PolarHBondContact O-N 3.01Å; I158-E160 PolarHBondContact O-N 3.43Å; I158-E160 VanDerWaalsContact O-N 3.17Å; I158-Q190 HydrophobicContact CG2-CG 4.43Å; I158-Q190 VanDerWaalsContact CG2-NE2 3.27Å
159	A	82.9	Confident	88.4	Confident	26 Å²	26	72 Å²	72	22%	0.215	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	16.5	172.7	0	0	0	0	0	113.3	Q155 M156 E157 R161 I184	Q155-A159 PolarHBondContact O-N 3.42Å; M156-A159 CarbonylContact O-C 3.59Å; M156-A159 PolarHBondContact O-N 3.39Å; M156-A159 VanDerWaalsContact O-N 3.17Å; E157-A159 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.04Å; A159-I184 HydrophobicContact CB-CG1 4.31Å; A159-I184 HydrophobicContact CB-CG2 4.01Å
160	E	80.3	Confident	88.2	Confident	187 Å²	187	75.5 Å²	75.5	87%	0.874	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	20.1	179.3	-56.7	-175	166.9	0	0	114.6	M156 E157 I158	M156-E160 PolarHBondContact O-N 2.95Å; E157-E160 PolarHBondContact O-N 3.4Å; E157-E160 VanDerWaalsContact O-N 3.16Å; I158-E160 PolarHBondContact O-N 3.43Å; I158-E160 VanDerWaalsContact O-N 3.17Å
161	R	81	Confident	88	Confident	76 Å²	76	71.1 Å²	71.1	29%	0.287	33%	0.333	S	S	.	.			trans	-103.8	113.9	175.3	-161.8	178.3	-157.1	-97.3	3.2	111.2	M156 A159 E183	M156-R161 CarbonylContact C-O 3.5Å; M156-R161 VanDerWaalsContact C-O 3.3Å; M156-R161 HydrophobicContact CE-CG 4.48Å; M156-R161 PolarHBondContact O-N 3.35Å; M156-R161 VanDerWaalsContact O-O 3.13Å; A159-R161 PolarHBondContact O-N 3.04Å; R161-E183 IonicContact CZ-OE1 2.83Å; R161-E183 IonicContact CZ-OE2 2.89Å; R161-E183 IonicContact NE-OE2 2.63Å; R161-E183 PolarHBondContact NE-OE2 3.28Å; R161-E183 IonicContact NH1-OE1 2.78Å; R161-E183 PolarHBondContact NH1-OE1 2.74Å; R161-E183 IonicContact NH1-OE2 3.3Å; R161-E183 PolarHBondContact NH1-OE2 2.92Å; R161-E183 IonicContact NH2-OE1 3.84Å; R161-E183 PolarHBondContact NH2-OE1 3.05Å; R161-E183 IonicContact NH2-OE2 3.19Å; R161-E183 PolarHBondContact NH2-OE2 2.88Å
162	K	84	Confident	88	Confident	198 Å²	198	67.4 Å²	67.4	86%	0.861	32%	0.319	S	S	*	.			trans	-80.3	120.9	169.1	-67.6	-175.2	-179.1	179.6	0	108.8
163	I	86.2	Confident	87.8	Confident	12 Å²	12	74 Å²	74	6%	0.062	35%	0.35	C	S	.	.			trans	-123.3	135.1	176.4	-168.2	168.9	0	0	0	109.7	K153 M156 E167 L168 M171	K153-I163 HydrophobicContact CG-CG2 4.32Å; M156-I163 HydrophobicContact CB-CG2 4.14Å; M156-I163 HydrophobicContact CE-CD1 4.25Å; I163-E167 HydrophobicContact CD1-CB 4.16Å; I163-E167 HydrophobicContact CG1-CB 3.71Å; I163-L168 HydrophobicContact CD1-CB 3.85Å; I163-L168 HydrophobicContact CD1-CD1 4.23Å; I163-L168 HydrophobicContact CG1-CB 4.16Å; I163-L168 HydrophobicContact CG2-CB 4.49Å; I163-M171 HydrophobicContact CD1-CG 4.47Å; I163-M171 HydrophobicContact CD1-SD 3.18Å; I163-M171 WeakPolarHBondContact CD1-SD 3.46Å
164	S	90.8	Very high	87.4	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	36%	0.359	S	S	.	.			trans	-71.4	162.7	172.7	70.2	0	0	0	0	110.9	E166 E167 L168	S164-E166 PolarHBondContact O-N 3.44Å; S164-E167 VanDerWaalsContact CB-OE2 3.32Å; S164-E167 WeakPolarHBondContact CB-OE2 3.47Å; S164-E167 PolarHBondContact N-OE2 3.22Å; S164-E167 WeakPolarHBondContact OG-CB 3.03Å; S164-E167 WeakPolarHBondContact OG-CG 3.28Å; S164-E167 PolarHBondContact OG-N 2.95Å; S164-E167 VanDerWaalsContact OG-N 3.12Å; S164-E167 PolarHBondContact OG-OE2 2.81Å; S164-L168 WeakPolarHBondContact O-CB 3.35Å; S164-L168 PolarHBondContact O-N 3.5Å; S164-L168 VanDerWaalsContact O-N 3.13Å
165	N	90.5	Very high	86.8	Confident	87 Å²	87	69.1 Å²	69.1	47%	0.465	35%	0.351	S	S	.	.	H	α-helix	trans	-65.8	-28.5	176.8	-77.5	-12.1	0	0	0	112.6	K149 K153 E169	K149-N165 PolarHBondContact NZ-O 3.01Å; K153-N165 PolarHBondContact NZ-OD1 3.16Å; N165-E169 WeakPolarHBondContact O-CG 3.31Å; N165-E169 PolarHBondContact O-N 2.92Å
166	E	91.2	Very high	86.5	Confident	150 Å²	150	71.1 Å²	71.1	70%	0.701	36%	0.363	S	S	*	.	H	α-helix	trans	-76.9	-50.7	-179.1	-173.7	173.1	-171.1	0	0	110.3	S164 L168 E169 D170	S164-E166 PolarHBondContact O-N 3.44Å; E166-L168 PolarHBondContact O-N 3.28Å; E166-E169 WeakPolarHBondContact O-CA 3.44Å; E166-E169 WeakPolarHBondContact O-CB 3.48Å; E166-E169 PolarHBondContact O-N 3.25Å; E166-D170 PolarHBondContact O-N 2.86Å
167	E	89.3	Confident	85.9	Confident	99 Å²	99	73.8 Å²	73.8	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-56.8	-38.4	174.1	-69.9	161.8	151.5	0	0	111.9	I163 S164 E169 D170 M171	I163-E167 HydrophobicContact CD1-CB 4.16Å; I163-E167 HydrophobicContact CG1-CB 3.71Å; S164-E167 VanDerWaalsContact CB-OE2 3.32Å; S164-E167 WeakPolarHBondContact CB-OE2 3.47Å; S164-E167 PolarHBondContact N-OE2 3.22Å; S164-E167 WeakPolarHBondContact OG-CB 3.03Å; S164-E167 WeakPolarHBondContact OG-CG 3.28Å; S164-E167 PolarHBondContact OG-N 2.95Å; S164-E167 VanDerWaalsContact OG-N 3.12Å; S164-E167 PolarHBondContact OG-OE2 2.81Å; E167-E169 VanDerWaalsContact C-N 3.33Å; E167-D170 PolarHBondContact O-N 2.98Å; E167-M171 VanDerWaalsContact O-CG 3.25Å; E167-M171 WeakPolarHBondContact O-CG 3.46Å; E167-M171 PolarHBondContact O-N 3.44Å
168	L	91	Very high	85.5	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.7	-34.9	176.2	-180	59.1	0	0	0	112.3	K149 I152 K153 I163 S164 E166 L172 F180	K149-L168 HydrophobicContact CD-CD2 4.5Å; K149-L168 HydrophobicContact CG-CD2 3.72Å; K149-L168 HydrophobicContact CG-CG 4.26Å; I152-L168 HydrophobicContact CG2-CD1 3.67Å; K153-L168 HydrophobicContact CB-CD2 3.66Å; K153-L168 HydrophobicContact CG-CD2 4.27Å; I163-L168 HydrophobicContact CD1-CB 3.85Å; I163-L168 HydrophobicContact CD1-CD1 4.23Å; I163-L168 HydrophobicContact CG1-CB 4.16Å; I163-L168 HydrophobicContact CG2-CB 4.49Å; S164-L168 WeakPolarHBondContact O-CB 3.35Å; S164-L168 PolarHBondContact O-N 3.5Å; S164-L168 VanDerWaalsContact O-N 3.13Å; E166-L168 PolarHBondContact O-N 3.28Å; L168-L172 HydrophobicContact CD1-CG 4.45Å; L168-L172 HydrophobicContact CG-CD1 4.37Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.24Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L172 VanDerWaalsContact O-N 3.1Å; L168-F180 HydrophobicContact CD1-CE1 4.25Å
169	E	91.7	Very high	85.3	Confident	42 Å²	42	70.3 Å²	70.3	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-66.6	-47	173.7	-68.9	-65.8	-174.9	0	0	111	R145 K149 N165 E166 E167 M171 L172 E173	R145-E169 IonicContact CZ-OE1 2.76Å; R145-E169 IonicContact CZ-OE2 2.66Å; R145-E169 VanDerWaalsContact CZ-OE2 3.3Å; R145-E169 IonicContact NH1-OE1 2.94Å; R145-E169 PolarHBondContact NH1-OE1 2.98Å; R145-E169 IonicContact NH1-OE2 2.75Å; R145-E169 PolarHBondContact NH1-OE2 3.37Å; R145-E169 VanDerWaalsContact NH1-OE2 3.16Å; R145-E169 IonicContact NH2-OE1 3.44Å; R145-E169 IonicContact NH2-OE2 2.65Å; R145-E169 PolarHBondContact NH2-OE2 3.45Å; K149-E169 VanDerWaalsContact CD-OE1 3.29Å; K149-E169 WeakPolarHBondContact CD-OE1 3.31Å; K149-E169 VanDerWaalsContact CE-OE1 3.24Å; K149-E169 WeakPolarHBondContact CE-OE1 3.48Å; K149-E169 VanDerWaalsContact NZ-CG 3.26Å; K149-E169 IonicContact NZ-OE1 2.65Å; K149-E169 PolarHBondContact NZ-OE1 2.93Å; N165-E169 WeakPolarHBondContact O-CG 3.31Å; N165-E169 PolarHBondContact O-N 2.92Å; E166-E169 WeakPolarHBondContact O-CA 3.44Å; E166-E169 WeakPolarHBondContact O-CB 3.48Å; E166-E169 PolarHBondContact O-N 3.25Å; E167-E169 VanDerWaalsContact C-N 3.33Å; E169-M171 PolarHBondContact O-N 3.33Å; E169-L172 PolarHBondContact O-N 3.26Å; E169-E173 WeakPolarHBondContact O-CG 3.16Å; E169-E173 PolarHBondContact O-N 2.96Å
170	D	88.8	Confident	85.2	Confident	95 Å²	95	69.1 Å²	69.1	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-56.3	-39.1	177.5	-64.7	-20.7	0	0	0	111.4	E166 E167 S174	E166-D170 PolarHBondContact O-N 2.86Å; E167-D170 PolarHBondContact O-N 2.98Å; D170-S174 PolarHBondContact O-N 3.37Å
171	M	88.5	Confident	85.1	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.039	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-41.6	175.2	-73	178.4	74.5	0	0	113.2	M156 I163 E167 E169 S174 I179 F180 E183	M156-M171 HydrophobicContact CE-CE 4.08Å; M156-M171 HydrophobicContact CE-SD 4.45Å; I163-M171 HydrophobicContact CD1-CG 4.47Å; I163-M171 HydrophobicContact CD1-SD 3.18Å; I163-M171 WeakPolarHBondContact CD1-SD 3.46Å; E167-M171 VanDerWaalsContact O-CG 3.25Å; E167-M171 WeakPolarHBondContact O-CG 3.46Å; E167-M171 PolarHBondContact O-N 3.44Å; E169-M171 PolarHBondContact O-N 3.33Å; M171-S174 WeakPolarHBondContact O-CB 3.36Å; M171-S174 PolarHBondContact O-OG 3.26Å; M171-I179 HydrophobicContact CB-CD1 4.28Å; M171-I179 HydrophobicContact CB-CG2 4.26Å; M171-I179 HydrophobicContact CE-CB 4.42Å; M171-I179 HydrophobicContact CE-CG1 4.07Å; M171-I179 HydrophobicContact CE-CG2 3.81Å; M171-I179 HydrophobicContact CG-CD1 3.81Å; M171-I179 HydrophobicContact CG-CG1 4.22Å; M171-I179 HydrophobicContact CG-CG2 4.47Å; M171-F180 HydrophobicContact CB-CE1 4.3Å; M171-F180 HydrophobicContact CB-CZ 4.22Å; M171-F180 HydrophobicContact CE-CD1 3.26Å; M171-F180 HydrophobicContact CE-CE1 3.36Å; M171-F180 HydrophobicContact CE-CG 4.02Å; M171-F180 HydrophobicContact CE-CZ 4.16Å; M171-F180 HydrophobicContact SD-CE1 4.31Å; M171-E183 HydrophobicContact CE-CG 4.32Å; M171-E183 WeakPolarHBondContact CE-OE2 3.4Å
172	L	90.2	Very high	84.9	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-41.3	176.9	-68.6	171.9	0	0	0	111.3	K149 I152 L168 E169 S174 G175 F180 I205 M206	K149-L172 HydrophobicContact CB-CD1 4.27Å; K149-L172 HydrophobicContact CD-CD1 4.35Å; K149-L172 HydrophobicContact CG-CD1 3.96Å; I152-L172 HydrophobicContact CD1-CD2 3.81Å; L168-L172 HydrophobicContact CD1-CG 4.45Å; L168-L172 HydrophobicContact CG-CD1 4.37Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.24Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L172 VanDerWaalsContact O-N 3.1Å; E169-L172 PolarHBondContact O-N 3.26Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 3.09Å; L172-G175 PolarHBondContact O-N 3.35Å; L172-F180 HydrophobicContact CD2-CZ 4.11Å; L172-I205 HydrophobicContact CD1-CD1 4.1Å; L172-I205 HydrophobicContact CD2-CD1 3.77Å; L172-M206 WeakPolarHBondContact O-CE 3.33Å
173	E	86.1	Confident	84.3	Confident	139 Å²	139	60.1 Å²	60.1	65%	0.65	33%	0.328	S	S	*	.	H	α-helix	trans	-67.5	-27.4	178.7	-71.4	-175.5	-174	0	0	112.8	E169 G175	E169-E173 WeakPolarHBondContact O-CG 3.16Å; E169-E173 PolarHBondContact O-N 2.96Å; E173-G175 PolarHBondContact O-N 3.04Å; E173-G175 VanDerWaalsContact O-N 3.11Å
174	S	83.7	Confident	83.7	Confident	57 Å²	57	59.9 Å²	59.9	40%	0.399	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	177	80.5	0	0	0	0	113.2	D170 M171 L172 N176	D170-S174 PolarHBondContact O-N 3.37Å; M171-S174 WeakPolarHBondContact O-CB 3.36Å; M171-S174 PolarHBondContact O-OG 3.26Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 3.09Å; S174-N176 PolarHBondContact O-N 3.46Å; S174-N176 PolarHBondContact OG-N 3.03Å
175	G	78.5	Confident	82.8	Confident	39 Å²	39	64.8 Å²	64.8	40%	0.402	35%	0.346	S	S	.	.			trans	62.4	6	-177.4	0	0	0	0	0	114.5	L172 E173 P177	L172-G175 PolarHBondContact O-N 3.35Å; E173-G175 PolarHBondContact O-N 3.04Å; E173-G175 VanDerWaalsContact O-N 3.11Å; G175-P177 WeakPolarHBondContact O-CD 3.34Å
176	N	80.5	Confident	82	Confident	81 Å²	81	63.2 Å²	63.2	43%	0.433	34%	0.34	S	S	.	.			trans	-100.5	106	-177.4	-178.3	5.2	0	0	0	110.4	S174 A178 I179	S174-N176 PolarHBondContact O-N 3.46Å; S174-N176 PolarHBondContact OG-N 3.03Å; N176-A178 PolarHBondContact O-N 3.26Å; N176-A178 VanDerWaalsContact O-N 3.1Å; N176-A178 WeakPolarHBondContact OD1-CB 3.34Å; N176-A178 PolarHBondContact OD1-N 3.42Å; N176-A178 VanDerWaalsContact OD1-N 3.13Å; N176-I179 WeakPolarHBondContact O-CB 3.45Å; N176-I179 WeakPolarHBondContact O-CG2 3.14Å; N176-I179 PolarHBondContact O-N 3.05Å; N176-I179 VanDerWaalsContact O-N 3.12Å
177	P	74.9	Confident	81.2	Confident	56 Å²	56	62.5 Å²	62.5	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.3	-179.5	-22.2	33.1	0	0	0	113.6	G175 I179 F180	G175-P177 WeakPolarHBondContact O-CD 3.34Å; P177-I179 PolarHBondContact O-N 3.4Å; P177-I179 VanDerWaalsContact O-N 3.13Å; P177-F180 PolarHBondContact O-N 3.25Å
178	A	79.4	Confident	80.9	Confident	38 Å²	38	61.5 Å²	61.5	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-15.6	-177.7	0	0	0	0	0	113.4	N176 F180 T181 Q182	N176-A178 PolarHBondContact O-N 3.26Å; N176-A178 VanDerWaalsContact O-N 3.1Å; N176-A178 WeakPolarHBondContact OD1-CB 3.34Å; N176-A178 PolarHBondContact OD1-N 3.42Å; N176-A178 VanDerWaalsContact OD1-N 3.13Å; A178-F180 PolarHBondContact O-N 3.27Å; A178-T181 PolarHBondContact O-N 3.42Å; A178-T181 VanDerWaalsContact O-N 3.17Å; A178-Q182 WeakPolarHBondContact O-CG 3.22Å; A178-Q182 PolarHBondContact O-N 3.14Å
179	I	81.5	Confident	80.6	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.195	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-36.1	176.9	-159.7	164.7	0	0	0	111.1	M171 N176 P177 E183	M171-I179 HydrophobicContact CB-CD1 4.28Å; M171-I179 HydrophobicContact CB-CG2 4.26Å; M171-I179 HydrophobicContact CE-CB 4.42Å; M171-I179 HydrophobicContact CE-CG1 4.07Å; M171-I179 HydrophobicContact CE-CG2 3.81Å; M171-I179 HydrophobicContact CG-CD1 3.81Å; M171-I179 HydrophobicContact CG-CG1 4.22Å; M171-I179 HydrophobicContact CG-CG2 4.47Å; N176-I179 WeakPolarHBondContact O-CB 3.45Å; N176-I179 WeakPolarHBondContact O-CG2 3.14Å; N176-I179 PolarHBondContact O-N 3.05Å; N176-I179 VanDerWaalsContact O-N 3.12Å; P177-I179 PolarHBondContact O-N 3.4Å; P177-I179 VanDerWaalsContact O-N 3.13Å; I179-E183 VanDerWaalsContact O-CG 3.28Å; I179-E183 WeakPolarHBondContact O-CG 3.29Å; I179-E183 PolarHBondContact O-N 2.97Å
180	F	80.6	Confident	80.2	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-72.6	-35.6	176.9	-60.4	-73.9	0	0	0	112.1	I152 M156 L168 M171 L172 P177 A178 Q182 E183 I184 I198 H202	I152-F180 HydrophobicContact CG2-CE1 3.86Å; I152-F180 HydrophobicContact CG2-CZ 4.36Å; M156-F180 HydrophobicContact CE-CD1 4.38Å; M156-F180 HydrophobicContact SD-CD1 4.25Å; L168-F180 HydrophobicContact CD1-CE1 4.25Å; M171-F180 HydrophobicContact CB-CE1 4.3Å; M171-F180 HydrophobicContact CB-CZ 4.22Å; M171-F180 HydrophobicContact CE-CD1 3.26Å; M171-F180 HydrophobicContact CE-CE1 3.36Å; M171-F180 HydrophobicContact CE-CG 4.02Å; M171-F180 HydrophobicContact CE-CZ 4.16Å; M171-F180 HydrophobicContact SD-CE1 4.31Å; L172-F180 HydrophobicContact CD2-CZ 4.11Å; P177-F180 PolarHBondContact O-N 3.25Å; A178-F180 PolarHBondContact O-N 3.27Å; F180-Q182 VanDerWaalsContact C-N 3.34Å; F180-Q182 PolarHBondContact O-N 3.1Å; F180-E183 PolarHBondContact O-N 2.9Å; F180-I184 WeakPolarHBondContact O-CG1 3.25Å; F180-I184 PolarHBondContact O-N 3.41Å; F180-I198 HydrophobicContact CB-CG2 3.8Å; F180-I198 HydrophobicContact CD1-CG2 3.38Å; F180-I198 HydrophobicContact CD2-CG2 3.8Å; F180-I198 HydrophobicContact CE1-CG2 3.83Å; F180-I198 HydrophobicContact CE2-CG2 4.23Å; F180-I198 HydrophobicContact CG-CG2 3.36Å; F180-I198 HydrophobicContact CZ-CG2 4.24Å; F180-H202 HydrophobicContact CE2-CB 4.07Å; F180-H202 AromaticContact CE2-CG 3.79Å; F180-H202 AromaticContact CE2-ND1 3.9Å
181	T	79.6	Confident	79.9	Confident	61 Å²	61	69.4 Å²	69.4	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-35.6	177	-37.9	0	0	0	0	112.8	A178 E183 L195 E199	A178-T181 PolarHBondContact O-N 3.42Å; A178-T181 VanDerWaalsContact O-N 3.17Å; T181-E183 PolarHBondContact O-N 3Å; T181-L195 HydrophobicContact CG2-CD1 3.96Å; T181-E199 PolarHBondContact OG1-OE1 3.14Å
182	Q	75.7	Confident	79.7	Confident	157 Å²	157	75.2 Å²	75.2	73%	0.734	40%	0.402	S	S	*	.	H	α-helix	trans	-69.6	-26.8	177.5	-70.3	174.3	11.5	0	0	112.3	A178 F180	A178-Q182 WeakPolarHBondContact O-CG 3.22Å; A178-Q182 PolarHBondContact O-N 3.14Å; F180-Q182 VanDerWaalsContact C-N 3.34Å; F180-Q182 PolarHBondContact O-N 3.1Å
183	E	71.1	Confident	79.5	Confident	54 Å²	54	81.1 Å²	81.1	25%	0.252	43%	0.429	S	S	.	.	H	α-helix	trans	-93.4	-19.5	-172.4	-75.5	-163.1	156.6	0	0	114.8	M156 R161 M171 I179 F180 T181	M156-E183 HydrophobicContact CE-CB 4.36Å; M156-E183 WeakPolarHBondContact CE-OE2 3.46Å; R161-E183 IonicContact CZ-OE1 2.83Å; R161-E183 IonicContact CZ-OE2 2.89Å; R161-E183 IonicContact NE-OE2 2.63Å; R161-E183 PolarHBondContact NE-OE2 3.28Å; R161-E183 IonicContact NH1-OE1 2.78Å; R161-E183 PolarHBondContact NH1-OE1 2.74Å; R161-E183 IonicContact NH1-OE2 3.3Å; R161-E183 PolarHBondContact NH1-OE2 2.92Å; R161-E183 IonicContact NH2-OE1 3.84Å; R161-E183 PolarHBondContact NH2-OE1 3.05Å; R161-E183 IonicContact NH2-OE2 3.19Å; R161-E183 PolarHBondContact NH2-OE2 2.88Å; M171-E183 HydrophobicContact CE-CG 4.32Å; M171-E183 WeakPolarHBondContact CE-OE2 3.4Å; I179-E183 VanDerWaalsContact O-CG 3.28Å; I179-E183 WeakPolarHBondContact O-CG 3.29Å; I179-E183 PolarHBondContact O-N 2.97Å; F180-E183 PolarHBondContact O-N 2.9Å; T181-E183 PolarHBondContact O-N 3Å
184	I	74.6	Confident	79.5	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.041	40%	0.4	C	S	.	.	S	Bend	trans	-106.7	124.6	-177.7	-62.6	171.2	0	0	0	109.7	M156 A159 F180 T186 A191 L195 I198	M156-I184 HydrophobicContact SD-CD1 3.7Å; M156-I184 HydrophobicContact SD-CG1 3.93Å; A159-I184 HydrophobicContact CB-CG1 4.31Å; A159-I184 HydrophobicContact CB-CG2 4.01Å; F180-I184 WeakPolarHBondContact O-CG1 3.25Å; F180-I184 PolarHBondContact O-N 3.41Å; I184-T186 PolarHBondContact O-N 3.32Å; I184-T186 VanDerWaalsContact O-N 3.12Å; I184-A191 HydrophobicContact CG2-CB 3.91Å; I184-L195 HydrophobicContact CB-CD1 4.46Å; I184-L195 HydrophobicContact CD1-CB 4.16Å; I184-I198 HydrophobicContact CD1-CD1 3.52Å
185	M	70.5	Confident	79.6	Confident	151 Å²	151	72.8 Å²	72.8	74%	0.744	39%	0.385	S	S	*	.			trans	-69.3	107.9	170.2	-63.4	-172.2	78.2	0	0	109.5	D187 A191	M185-D187 PolarHBondContact O-N 3.49Å; M185-D187 VanDerWaalsContact O-N 3.12Å; M185-A191 WeakPolarHBondContact O-CB 3.49Å
186	T	74	Confident	80	Confident	55 Å²	55	73.1 Å²	73.1	34%	0.337	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	18.9	-173.6	53.4	0	0	0	0	114.4	I184 T188 K192 L195	I184-T186 PolarHBondContact O-N 3.32Å; I184-T186 VanDerWaalsContact O-N 3.12Å; T186-T188 VanDerWaalsContact C-N 3.28Å; T186-T188 PolarHBondContact O-N 3.5Å; T186-K192 WeakPolarHBondContact O-CE 3.32Å; T186-L195 HydrophobicContact CG2-CD1 3.7Å
187	D	75.1	Confident	80.2	Confident	134 Å²	134	70.5 Å²	70.5	72%	0.717	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.7	-173.6	-65.7	-24.1	0	0	0	112.9	M185	M185-D187 PolarHBondContact O-N 3.49Å; M185-D187 VanDerWaalsContact O-N 3.12Å
188	T	82.4	Confident	80.9	Confident	78 Å²	78	67.8 Å²	67.8	48%	0.479	35%	0.353	S	S	.	.	S	Bend	trans	-103.4	148.3	179.1	71.2	0	0	0	0	111.7	T186 Q190 A191 K192	T186-T188 VanDerWaalsContact C-N 3.28Å; T186-T188 PolarHBondContact O-N 3.5Å; T188-Q190 PolarHBondContact O-N 2.94Å; T188-A191 PolarHBondContact O-N 3.44Å; T188-A191 VanDerWaalsContact OG1-CB 3.26Å; T188-A191 WeakPolarHBondContact OG1-CB 3.33Å; T188-A191 PolarHBondContact OG1-N 2.94Å; T188-K192 PolarHBondContact O-N 3.25Å; T188-K192 VanDerWaalsContact O-N 3.14Å
189	Q	84.9	Confident	81.3	Confident	174 Å²	174	69 Å²	69	81%	0.813	35%	0.352	S	S	*	.	H	α-helix	trans	-58.9	-33.3	172.2	-175.8	175.8	-5.8	0	0	111.5	K192 Q193	Q189-K192 PolarHBondContact O-N 2.91Å; Q189-Q193 PolarHBondContact O-N 3.39Å; Q189-Q193 VanDerWaalsContact O-N 3.07Å
190	Q	83.6	Confident	81.5	Confident	123 Å²	123	68 Å²	68	58%	0.575	35%	0.349	S	S	*	.	H	α-helix	trans	-64	-46.7	175.7	-175.7	173.6	-5.6	0	0	111.8	I158 T188 K192 Q193 S194	I158-Q190 HydrophobicContact CG2-CG 4.43Å; I158-Q190 VanDerWaalsContact CG2-NE2 3.27Å; T188-Q190 PolarHBondContact O-N 2.94Å; Q190-K192 VanDerWaalsContact C-N 3.32Å; Q190-K192 PolarHBondContact O-N 2.81Å; Q190-Q193 PolarHBondContact O-N 2.65Å; Q190-S194 PolarHBondContact O-N 2.65Å; Q190-S194 PolarHBondContact O-OG 3.1Å
191	A	83	Confident	82	Confident	6 Å²	6	68 Å²	68	5%	0.05	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-39.9	177	0	0	0	0	0	112.2	I184 M185 T188 Q193 S194 L195	I184-A191 HydrophobicContact CG2-CB 3.91Å; M185-A191 WeakPolarHBondContact O-CB 3.49Å; T188-A191 PolarHBondContact O-N 3.44Å; T188-A191 VanDerWaalsContact OG1-CB 3.26Å; T188-A191 WeakPolarHBondContact OG1-CB 3.33Å; T188-A191 PolarHBondContact OG1-N 2.94Å; A191-Q193 PolarHBondContact O-N 3.06Å; A191-S194 PolarHBondContact O-N 3.32Å; A191-L195 VanDerWaalsContact O-CB 3.29Å; A191-L195 WeakPolarHBondContact O-CB 3.49Å; A191-L195 PolarHBondContact O-N 3.07Å
192	K	84.5	Confident	82.5	Confident	130 Å²	130	65.2 Å²	65.2	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-62.2	-41.4	174.6	-67.5	-177.5	-176.2	-177.4	0	112.5	T186 T188 Q189 Q190 A196	T186-K192 WeakPolarHBondContact O-CE 3.32Å; T188-K192 PolarHBondContact O-N 3.25Å; T188-K192 VanDerWaalsContact O-N 3.14Å; Q189-K192 PolarHBondContact O-N 2.91Å; Q190-K192 VanDerWaalsContact C-N 3.32Å; Q190-K192 PolarHBondContact O-N 2.81Å; K192-A196 WeakPolarHBondContact O-CB 3.41Å; K192-A196 PolarHBondContact O-N 3Å
193	Q	85.9	Confident	83.1	Confident	124 Å²	124	62.6 Å²	62.6	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-67.9	-42.6	177.4	-171.3	64.7	42	0	0	111.8	Q189 Q190 A191 L195 A196 D197	Q189-Q193 PolarHBondContact O-N 3.39Å; Q189-Q193 VanDerWaalsContact O-N 3.07Å; Q190-Q193 PolarHBondContact O-N 2.65Å; A191-Q193 PolarHBondContact O-N 3.06Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-A196 PolarHBondContact O-N 3.48Å; Q193-D197 PolarHBondContact O-N 3.47Å
194	S	85.5	Confident	84	Confident	5 Å²	5	60.6 Å²	60.6	4%	0.035	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-42.5	175.7	-71.5	0	0	0	0	111.6	Q155 Q190 A191 D197 I198	Q155-S194 PolarHBondContact OE1-OG 3.11Å; Q190-S194 PolarHBondContact O-N 2.65Å; Q190-S194 PolarHBondContact O-OG 3.1Å; A191-S194 PolarHBondContact O-N 3.32Å; S194-D197 PolarHBondContact O-N 3.29Å; S194-I198 WeakPolarHBondContact O-CD1 3.04Å; S194-I198 WeakPolarHBondContact O-CG1 3.45Å; S194-I198 PolarHBondContact O-N 3.4Å
195	L	86.7	Confident	84.8	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-43.5	175.5	-177.6	154.9	0	0	0	112	T181 I184 T186 A191 Q193 D197 I198 E199	T181-L195 HydrophobicContact CG2-CD1 3.96Å; I184-L195 HydrophobicContact CB-CD1 4.46Å; I184-L195 HydrophobicContact CD1-CB 4.16Å; T186-L195 HydrophobicContact CG2-CD1 3.7Å; A191-L195 VanDerWaalsContact O-CB 3.29Å; A191-L195 WeakPolarHBondContact O-CB 3.49Å; A191-L195 PolarHBondContact O-N 3.07Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; L195-D197 VanDerWaalsContact C-N 3.35Å; L195-D197 PolarHBondContact O-N 3.49Å; L195-I198 PolarHBondContact O-N 3.28Å; L195-E199 VanDerWaalsContact CD2-CD 3.47Å; L195-E199 HydrophobicContact CD2-CG 4.03Å; L195-E199 VanDerWaalsContact CD2-OE1 3.27Å; L195-E199 WeakPolarHBondContact CD2-OE1 3.29Å; L195-E199 WeakPolarHBondContact O-CG 3.49Å; L195-E199 PolarHBondContact O-N 2.89Å
196	A	85.9	Confident	85.7	Confident	45 Å²	45	55.8 Å²	55.8	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.6	0	0	0	0	0	112.3	K192 Q193 A200	K192-A196 WeakPolarHBondContact O-CB 3.41Å; K192-A196 PolarHBondContact O-N 3Å; Q193-A196 PolarHBondContact O-N 3.48Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 3.07Å; A196-A200 VanDerWaalsContact O-N 3.13Å
197	D	85.8	Confident	86.3	Confident	26 Å²	26	57.6 Å²	57.6	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-44.4	173.1	-172.4	25.5	0	0	0	110.7	Q155 Q193 S194 L195 E199 A200 R201	Q155-D197 HydrophobicContact CG-CB 4.32Å; Q155-D197 WeakPolarHBondContact CG-OD2 3.34Å; Q155-D197 PolarHBondContact NE2-OD2 3.42Å; Q193-D197 PolarHBondContact O-N 3.47Å; S194-D197 PolarHBondContact O-N 3.29Å; L195-D197 VanDerWaalsContact C-N 3.35Å; L195-D197 PolarHBondContact O-N 3.49Å; D197-E199 PolarHBondContact O-N 3.02Å; D197-A200 PolarHBondContact O-N 3.38Å; D197-R201 VanDerWaalsContact O-CG 3.25Å; D197-R201 WeakPolarHBondContact O-CG 3.4Å; D197-R201 PolarHBondContact O-N 3.35Å; D197-R201 IonicContact OD1-NE 3.23Å; D197-R201 PolarHBondContact OD1-NE 3.46Å
198	I	88.2	Confident	87.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-52.4	178.1	-71.1	163.1	0	0	0	111.8	I152 Q155 M156 F180 I184 S194 L195 A200 R201 H202	I152-I198 HydrophobicContact CG1-CG2 4.48Å; I152-I198 HydrophobicContact CG2-CG1 4.22Å; I152-I198 HydrophobicContact CG2-CG2 3.91Å; Q155-I198 HydrophobicContact CB-CD1 3.7Å; Q155-I198 HydrophobicContact CB-CG1 3.56Å; Q155-I198 HydrophobicContact CG-CG1 4.32Å; M156-I198 HydrophobicContact CG-CD1 3.89Å; M156-I198 HydrophobicContact SD-CD1 3.61Å; F180-I198 HydrophobicContact CB-CG2 3.8Å; F180-I198 HydrophobicContact CD1-CG2 3.38Å; F180-I198 HydrophobicContact CD2-CG2 3.8Å; F180-I198 HydrophobicContact CE1-CG2 3.83Å; F180-I198 HydrophobicContact CE2-CG2 4.23Å; F180-I198 HydrophobicContact CG-CG2 3.36Å; F180-I198 HydrophobicContact CZ-CG2 4.24Å; I184-I198 HydrophobicContact CD1-CD1 3.52Å; S194-I198 WeakPolarHBondContact O-CD1 3.04Å; S194-I198 WeakPolarHBondContact O-CG1 3.45Å; S194-I198 PolarHBondContact O-N 3.4Å; L195-I198 PolarHBondContact O-N 3.28Å; I198-A200 PolarHBondContact O-N 3.41Å; I198-R201 PolarHBondContact O-N 2.91Å; I198-H202 WeakPolarHBondContact O-CB 3.29Å; I198-H202 PolarHBondContact O-N 2.88Å
199	E	87.4	Confident	87.5	Confident	63 Å²	63	49.6 Å²	49.6	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-42.8	179.1	-75.2	-178.1	170.4	0	0	111	T181 L195 D197 H202 Q203	T181-E199 PolarHBondContact OG1-OE1 3.14Å; L195-E199 VanDerWaalsContact CD2-CD 3.47Å; L195-E199 HydrophobicContact CD2-CG 4.03Å; L195-E199 VanDerWaalsContact CD2-OE1 3.27Å; L195-E199 WeakPolarHBondContact CD2-OE1 3.29Å; L195-E199 WeakPolarHBondContact O-CG 3.49Å; L195-E199 PolarHBondContact O-N 2.89Å; D197-E199 PolarHBondContact O-N 3.02Å; E199-H202 PolarHBondContact O-N 3.36Å; E199-Q203 WeakPolarHBondContact O-CG 3.4Å; E199-Q203 PolarHBondContact O-N 3.06Å
200	A	87.6	Confident	87.6	Confident	16 Å²	16	47.9 Å²	47.9	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-75.7	-26.9	-175	0	0	0	0	0	112.5	Q70 A196 D197 I198 D204	Q70-A200 PolarHBondContact NE2-O 2.89Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 3.07Å; A196-A200 VanDerWaalsContact O-N 3.13Å; D197-A200 PolarHBondContact O-N 3.38Å; I198-A200 PolarHBondContact O-N 3.41Å; A200-D204 VanDerWaalsContact O-CG 3.3Å; A200-D204 PolarHBondContact O-N 3.4Å
201	R	89.2	Confident	87.9	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-76.8	-35.5	168.2	-64	-57.5	165.8	-178	2.8	112.6	I64 S67 I152 D197 I198 Q203 D204 I205	I64-R201 PolarHBondContact O-NH1 3.12Å; I64-R201 PolarHBondContact O-NH2 3.31Å; S67-R201 PolarHBondContact O-NH2 3.36Å; I152-R201 HydrophobicContact CD1-CB 3.89Å; I152-R201 HydrophobicContact CG1-CB 3.72Å; D197-R201 VanDerWaalsContact O-CG 3.25Å; D197-R201 WeakPolarHBondContact O-CG 3.4Å; D197-R201 PolarHBondContact O-N 3.35Å; D197-R201 IonicContact OD1-NE 3.23Å; D197-R201 PolarHBondContact OD1-NE 3.46Å; I198-R201 PolarHBondContact O-N 2.91Å; R201-Q203 VanDerWaalsContact C-N 3.3Å; R201-Q203 PolarHBondContact O-N 3.44Å; R201-D204 IonicContact NH1-OD2 3.16Å; R201-D204 WeakPolarHBondContact O-CB 3.43Å; R201-D204 PolarHBondContact O-N 2.87Å; R201-I205 WeakPolarHBondContact O-CG1 3.46Å; R201-I205 PolarHBondContact O-N 3.41Å
202	H	90.4	Very high	88.1	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-41.2	173.9	176.8	-131.2	0	0	0	110.8	I152 F180 I198 E199 D204 I205 M206	I152-H202 HydrophobicContact CD1-CB 4.37Å; F180-H202 HydrophobicContact CE2-CB 4.07Å; F180-H202 AromaticContact CE2-CG 3.79Å; F180-H202 AromaticContact CE2-ND1 3.9Å; I198-H202 WeakPolarHBondContact O-CB 3.29Å; I198-H202 PolarHBondContact O-N 2.88Å; E199-H202 PolarHBondContact O-N 3.36Å; H202-D204 VanDerWaalsContact C-N 3.32Å; H202-D204 PolarHBondContact O-N 3.49Å; H202-I205 PolarHBondContact O-N 2.98Å; H202-M206 WeakPolarHBondContact O-CG 3.24Å; H202-M206 PolarHBondContact O-N 3.38Å
203	Q	88.6	Confident	88.3	Confident	101 Å²	101	44.7 Å²	44.7	47%	0.472	22%	0.219	S	C	.	.	H	α-helix	trans	-59.4	-40.8	171.7	-73.7	-179.8	1.8	0	0	112.9	E199 R201 I205 M206 K207	E199-Q203 WeakPolarHBondContact O-CG 3.4Å; E199-Q203 PolarHBondContact O-N 3.06Å; R201-Q203 VanDerWaalsContact C-N 3.3Å; R201-Q203 PolarHBondContact O-N 3.44Å; Q203-I205 VanDerWaalsContact C-N 3.35Å; Q203-M206 PolarHBondContact O-N 2.97Å; Q203-K207 WeakPolarHBondContact O-CG 3.31Å; Q203-K207 PolarHBondContact O-N 2.98Å; Q203-K207 VanDerWaalsContact O-N 3.1Å
204	D	89.3	Confident	88.1	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-43.2	175.7	-64.4	-22.6	0	0	0	110.9	K75 F144 A200 R201 H202 K207 L208	K75-D204 WeakPolarHBondContact CE-OD1 3.41Å; K75-D204 IonicContact NZ-OD1 2.69Å; K75-D204 PolarHBondContact NZ-OD1 3.04Å; K75-D204 IonicContact NZ-OD2 3.41Å; K75-D204 PolarHBondContact NZ-OD2 3Å; F144-D204 HydrophobicContact CE1-CB 4.35Å; A200-D204 VanDerWaalsContact O-CG 3.3Å; A200-D204 PolarHBondContact O-N 3.4Å; R201-D204 IonicContact NH1-OD2 3.16Å; R201-D204 WeakPolarHBondContact O-CB 3.43Å; R201-D204 PolarHBondContact O-N 2.87Å; H202-D204 VanDerWaalsContact C-N 3.32Å; H202-D204 PolarHBondContact O-N 3.49Å; D204-K207 PolarHBondContact O-N 3.47Å; D204-L208 WeakPolarHBondContact O-CB 3.18Å; D204-L208 PolarHBondContact O-N 3.03Å
205	I	92.2	Very high	88.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-43.4	175.8	-67.7	171.5	0	0	0	111.3	R145 C148 I152 L172 R201 H202 Q203 K207 L208 E209	R145-I205 HydrophobicContact CG-CG2 4.43Å; C148-I205 HydrophobicContact CB-CD1 3.81Å; C148-I205 HydrophobicContact CB-CG1 3.66Å; I152-I205 HydrophobicContact CD1-CD1 3.73Å; L172-I205 HydrophobicContact CD1-CD1 4.1Å; L172-I205 HydrophobicContact CD2-CD1 3.77Å; R201-I205 WeakPolarHBondContact O-CG1 3.46Å; R201-I205 PolarHBondContact O-N 3.41Å; H202-I205 PolarHBondContact O-N 2.98Å; Q203-I205 VanDerWaalsContact C-N 3.35Å; I205-K207 PolarHBondContact O-N 3.37Å; I205-L208 WeakPolarHBondContact O-CB 3.43Å; I205-L208 PolarHBondContact O-N 2.78Å; I205-E209 HydrophobicContact CG2-CG 4.22Å; I205-E209 WeakPolarHBondContact CG2-OE1 3.43Å; I205-E209 WeakPolarHBondContact O-CB 3.21Å; I205-E209 WeakPolarHBondContact O-CG 3.39Å; I205-E209 PolarHBondContact O-N 2.96Å
206	M	89.7	Confident	88	Confident	58 Å²	58	45.6 Å²	45.6	29%	0.286	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-41.8	179.6	-69.7	-66.5	104.3	0	0	112.6	L172 H202 Q203 L208 E209 K210	L172-M206 WeakPolarHBondContact O-CE 3.33Å; H202-M206 WeakPolarHBondContact O-CG 3.24Å; H202-M206 PolarHBondContact O-N 3.38Å; Q203-M206 PolarHBondContact O-N 2.97Å; M206-L208 VanDerWaalsContact C-N 3.32Å; M206-E209 VanDerWaalsContact CE-OE2 3.28Å; M206-E209 WeakPolarHBondContact CE-OE2 3.41Å; M206-K210 PolarHBondContact O-N 2.91Å
207	K	87.6	Confident	87.7	Confident	93 Å²	93	48.4 Å²	48.4	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-41.9	175.3	-71.1	178.9	-178.5	-178	0	111.3	E79 Q203 D204 I205 K210 S211	E79-K207 WeakPolarHBondContact OE1-CD 3.4Å; E79-K207 WeakPolarHBondContact OE1-CE 3.41Å; E79-K207 IonicContact OE1-NZ 2.63Å; E79-K207 PolarHBondContact OE1-NZ 2.99Å; Q203-K207 WeakPolarHBondContact O-CG 3.31Å; Q203-K207 PolarHBondContact O-N 2.98Å; Q203-K207 VanDerWaalsContact O-N 3.1Å; D204-K207 PolarHBondContact O-N 3.47Å; I205-K207 PolarHBondContact O-N 3.37Å; K207-K210 PolarHBondContact O-N 3.07Å; K207-S211 PolarHBondContact O-N 3Å
208	L	91.2	Very high	87.5	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-46.6	177.9	177.6	62	0	0	0	112.7	Q141 F144 R145 D204 I205 M206 K210 S211 I212	Q141-L208 HydrophobicContact CB-CD1 3.64Å; Q141-L208 HydrophobicContact CG-CD1 3.98Å; Q141-L208 WeakPolarHBondContact O-CD2 3.48Å; F144-L208 HydrophobicContact CD1-CD1 4.49Å; F144-L208 HydrophobicContact CD1-CD2 3.79Å; R145-L208 VanDerWaalsContact CA-CD2 3.42Å; R145-L208 HydrophobicContact CB-CD2 3.38Å; R145-L208 HydrophobicContact CB-CG 4.42Å; R145-L208 HydrophobicContact CG-CD2 3.93Å; D204-L208 WeakPolarHBondContact O-CB 3.18Å; D204-L208 PolarHBondContact O-N 3.03Å; I205-L208 WeakPolarHBondContact O-CB 3.43Å; I205-L208 PolarHBondContact O-N 2.78Å; M206-L208 VanDerWaalsContact C-N 3.32Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 3.27Å; L208-S211 CarbonylContact O-C 3.3Å; L208-S211 WeakPolarHBondContact O-CA 3.41Å; L208-S211 WeakPolarHBondContact O-CB 3.47Å; L208-S211 PolarHBondContact O-N 2.6Å; L208-I212 HydrophobicContact CD1-CD1 4.18Å; L208-I212 HydrophobicContact CD1-CG1 4.43Å; L208-I212 HydrophobicContact CG-CD1 3.98Å; L208-I212 WeakPolarHBondContact O-CG1 3.39Å; L208-I212 PolarHBondContact O-N 3Å
209	E	89.9	Confident	87.2	Confident	40 Å²	40	49.5 Å²	49.5	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-37.9	177.9	-76.9	-179.2	-177.9	0	0	112.2	R145 I205 M206 S211 I212 K213	R145-E209 IonicContact NH2-OE1 3.66Å; I205-E209 HydrophobicContact CG2-CG 4.22Å; I205-E209 WeakPolarHBondContact CG2-OE1 3.43Å; I205-E209 WeakPolarHBondContact O-CB 3.21Å; I205-E209 WeakPolarHBondContact O-CG 3.39Å; I205-E209 PolarHBondContact O-N 2.96Å; M206-E209 VanDerWaalsContact CE-OE2 3.28Å; M206-E209 WeakPolarHBondContact CE-OE2 3.41Å; E209-S211 VanDerWaalsContact C-N 3.34Å; E209-I212 PolarHBondContact O-N 2.8Å; E209-K213 WeakPolarHBondContact O-CB 3.49Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.41Å; E209-K213 PolarHBondContact O-N 2.96Å
210	K	88.3	Confident	86.8	Confident	138 Å²	138	51.4 Å²	51.4	60%	0.6	25%	0.245	S	C	*	.	H	α-helix	trans	-59.6	-45.9	171.4	-176.6	-178.5	176.1	-174.9	0	111.1	M206 K207 L208 K213 E214	M206-K210 PolarHBondContact O-N 2.91Å; K207-K210 PolarHBondContact O-N 3.07Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 3.27Å; K210-K213 PolarHBondContact O-N 3.38Å; K210-E214 WeakPolarHBondContact O-CG 3.46Å; K210-E214 PolarHBondContact O-N 3.48Å; K210-E214 VanDerWaalsContact O-N 3.12Å
211	S	88.1	Confident	86.1	Confident	12 Å²	12	53.2 Å²	53.2	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-38.8	177.2	-174.9	0	0	0	0	112.7	M82 Y137 K207 L208 E209 E214 L215	M82-S211 WeakPolarHBondContact CE-OG 3.49Å; Y137-S211 PolarHBondContact OH-OG 3.49Å; K207-S211 PolarHBondContact O-N 3Å; L208-S211 CarbonylContact O-C 3.3Å; L208-S211 WeakPolarHBondContact O-CA 3.41Å; L208-S211 WeakPolarHBondContact O-CB 3.47Å; L208-S211 PolarHBondContact O-N 2.6Å; E209-S211 VanDerWaalsContact C-N 3.34Å; S211-E214 PolarHBondContact O-N 3.2Å; S211-L215 WeakPolarHBondContact O-CG 3.34Å; S211-L215 PolarHBondContact O-N 3.37Å
212	I	88.9	Confident	85.5	Confident	39 Å²	39	53.4 Å²	53.4	20%	0.2	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-40	178.1	-67.6	169.8	0	0	0	110.7	Q141 L208 E209 E214 L215 H216	Q141-I212 HydrophobicContact CB-CD1 4.04Å; Q141-I212 HydrophobicContact CB-CG1 3.92Å; L208-I212 HydrophobicContact CD1-CD1 4.18Å; L208-I212 HydrophobicContact CD1-CG1 4.43Å; L208-I212 HydrophobicContact CG-CD1 3.98Å; L208-I212 WeakPolarHBondContact O-CG1 3.39Å; L208-I212 PolarHBondContact O-N 3Å; E209-I212 PolarHBondContact O-N 2.8Å; I212-E214 PolarHBondContact O-N 3.23Å; I212-L215 WeakPolarHBondContact O-CB 3.42Å; I212-L215 PolarHBondContact O-N 3.05Å; I212-H216 WeakPolarHBondContact O-CB 3.42Å; I212-H216 PolarHBondContact O-N 3.41Å
213	K	88.7	Confident	84.6	Confident	140 Å²	140	56 Å²	56	61%	0.609	28%	0.275	S	S	*	.	H	α-helix	trans	-60.9	-44.3	174.6	-74.5	173.3	-177.1	172.5	0	111.7	E209 K210 L215 H216 D217	E209-K213 WeakPolarHBondContact O-CB 3.49Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.41Å; E209-K213 PolarHBondContact O-N 2.96Å; K210-K213 PolarHBondContact O-N 3.38Å; K213-L215 VanDerWaalsContact C-N 3.32Å; K213-L215 PolarHBondContact O-N 3.1Å; K213-H216 WeakPolarHBondContact O-CB 3.36Å; K213-H216 PolarHBondContact O-N 3Å; K213-D217 PolarHBondContact O-N 3.41Å
214	E	81.8	Confident	83.4	Confident	59 Å²	59	56.9 Å²	56.9	28%	0.276	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-35.1	176.5	-67.7	176.7	168.1	0	0	112.6	K86 K210 S211 I212 M218	K86-E214 WeakPolarHBondContact CD-OE2 3.32Å; K86-E214 WeakPolarHBondContact CE-OE2 3.2Å; K86-E214 IonicContact NZ-OE1 3.63Å; K86-E214 PolarHBondContact NZ-OE1 3.23Å; K86-E214 IonicContact NZ-OE2 3.04Å; K86-E214 PolarHBondContact NZ-OE2 3.02Å; K210-E214 WeakPolarHBondContact O-CG 3.46Å; K210-E214 PolarHBondContact O-N 3.48Å; K210-E214 VanDerWaalsContact O-N 3.12Å; S211-E214 PolarHBondContact O-N 3.2Å; I212-E214 PolarHBondContact O-N 3.23Å; E214-M218 PolarHBondContact O-N 3.36Å
215	L	85.4	Confident	82.3	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-39.7	171.8	-75.8	171.4	0	0	0	112.3	M134 Y137 S211 I212 K213 D217 M218 F219	M134-L215 HydrophobicContact CE-CD2 3.19Å; Y137-L215 HydrophobicContact CD1-CD1 3.47Å; Y137-L215 VanDerWaalsContact CD1-CD1 3.47Å; Y137-L215 HydrophobicContact CD1-CD2 3.64Å; Y137-L215 HydrophobicContact CD1-CG 4.12Å; Y137-L215 HydrophobicContact CE1-CD1 3.35Å; Y137-L215 HydrophobicContact CE1-CD2 3.64Å; Y137-L215 HydrophobicContact CE1-CG 3.87Å; Y137-L215 HydrophobicContact CG-CD1 4.48Å; S211-L215 WeakPolarHBondContact O-CG 3.34Å; S211-L215 PolarHBondContact O-N 3.37Å; I212-L215 WeakPolarHBondContact O-CB 3.42Å; I212-L215 PolarHBondContact O-N 3.05Å; K213-L215 VanDerWaalsContact C-N 3.32Å; K213-L215 PolarHBondContact O-N 3.1Å; L215-D217 VanDerWaalsContact C-N 3.31Å; L215-D217 PolarHBondContact O-N 3.28Å; L215-M218 CarbonylContact O-C 3.59Å; L215-M218 WeakPolarHBondContact O-CA 3.49Å; L215-M218 WeakPolarHBondContact O-CB 3.41Å; L215-M218 PolarHBondContact O-N 2.52Å; L215-F219 HydrophobicContact CB-CD2 4.38Å; L215-F219 HydrophobicContact CB-CE2 4.36Å; L215-F219 WeakPolarHBondContact O-CD2 3.31Å; L215-F219 PolarHBondContact O-N 3.23Å
216	H	83.5	Confident	80.9	Confident	100 Å²	100	60.4 Å²	60.4	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-44.5	179.4	-175.6	81.3	0	0	0	111.5	I212 K213 M218 F219 M220	I212-H216 WeakPolarHBondContact O-CB 3.42Å; I212-H216 PolarHBondContact O-N 3.41Å; K213-H216 WeakPolarHBondContact O-CB 3.36Å; K213-H216 PolarHBondContact O-N 3Å; H216-M218 VanDerWaalsContact C-N 3.26Å; H216-M218 PolarHBondContact O-N 2.99Å; H216-F219 PolarHBondContact O-N 3.41Å; H216-F219 VanDerWaalsContact O-N 3.12Å; H216-M220 WeakPolarHBondContact CE1-CE 3.25Å; H216-M220 WeakPolarHBondContact NE2-CE 3.03Å; H216-M220 WeakPolarHBondContact O-CG 3.2Å; H216-M220 PolarHBondContact O-N 3.23Å
217	D	80.7	Confident	79.6	Confident	103 Å²	103	65.4 Å²	65.4	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-58.2	-41	174.5	-65.6	-20	0	0	0	111.2	K213 L215 M220 D221	K213-D217 PolarHBondContact O-N 3.41Å; L215-D217 VanDerWaalsContact C-N 3.31Å; L215-D217 PolarHBondContact O-N 3.28Å; D217-M220 PolarHBondContact O-N 3.3Å; D217-D221 PolarHBondContact O-N 3.02Å
218	M	81.8	Confident	78.3	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.02	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-38.4	176.1	-162.9	-176.3	-53.1	0	0	112.9	A89 F130 M134 E214 L215 H216 D221 M222	A89-M218 HydrophobicContact CB-CE 3.63Å; A89-M218 HydrophobicContact CB-SD 3.53Å; A89-M218 VanDerWaalsContact CB-SD 3.53Å; F130-M218 HydrophobicContact CZ-SD 4.06Å; M134-M218 HydrophobicContact CE-SD 3.98Å; E214-M218 PolarHBondContact O-N 3.36Å; L215-M218 CarbonylContact O-C 3.59Å; L215-M218 WeakPolarHBondContact O-CA 3.49Å; L215-M218 WeakPolarHBondContact O-CB 3.41Å; L215-M218 PolarHBondContact O-N 2.52Å; H216-M218 VanDerWaalsContact C-N 3.26Å; H216-M218 PolarHBondContact O-N 2.99Å; M218-D221 PolarHBondContact O-N 3.46Å; M218-M222 HydrophobicContact CG-CE 4.11Å; M218-M222 WeakPolarHBondContact O-CG 3.37Å; M218-M222 PolarHBondContact O-N 2.93Å
219	F	81	Confident	76.7	Confident	46 Å²	46	62.8 Å²	62.8	20%	0.202	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-39.1	176.4	-84.4	-65.6	0	0	0	112.7	M134 N138 L215 H216 D221 M222 A223	M134-F219 HydrophobicContact CB-CE1 4.11Å; M134-F219 HydrophobicContact CB-CZ 3.87Å; M134-F219 WeakPolarHBondContact O-CZ 3.42Å; N138-F219 HydrophobicContact CB-CE2 4Å; N138-F219 HydrophobicContact CB-CZ 4.25Å; L215-F219 HydrophobicContact CB-CD2 4.38Å; L215-F219 HydrophobicContact CB-CE2 4.36Å; L215-F219 WeakPolarHBondContact O-CD2 3.31Å; L215-F219 PolarHBondContact O-N 3.23Å; H216-F219 PolarHBondContact O-N 3.41Å; H216-F219 VanDerWaalsContact O-N 3.12Å; F219-D221 VanDerWaalsContact C-N 3.26Å; F219-D221 PolarHBondContact O-N 3.32Å; F219-M222 HydrophobicContact CD1-CE 3.65Å; F219-M222 HydrophobicContact CE1-CE 3.96Å; F219-M222 HydrophobicContact CG-CE 4.17Å; F219-M222 PolarHBondContact O-N 3.32Å; F219-A223 WeakPolarHBondContact O-CB 3.21Å; F219-A223 PolarHBondContact O-N 2.69Å
220	M	79.2	Confident	75.4	Confident	103 Å²	103	62.7 Å²	62.7	51%	0.507	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-41.1	177	-73.5	-62.1	164.3	0	0	111.4	H216 D217	H216-M220 WeakPolarHBondContact CE1-CE 3.25Å; H216-M220 WeakPolarHBondContact NE2-CE 3.03Å; H216-M220 WeakPolarHBondContact O-CG 3.2Å; H216-M220 PolarHBondContact O-N 3.23Å; D217-M220 PolarHBondContact O-N 3.3Å
221	D	73.4	Confident	74.2	Confident	54 Å²	54	62.3 Å²	62.3	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-70.6	-36.4	175.9	-73.3	-64.1	0	0	0	113.3	R93 D217 M218 F219	R93-D221 IonicContact CZ-OD1 2.61Å; R93-D221 IonicContact CZ-OD2 3.44Å; R93-D221 IonicContact NH1-OD2 2.88Å; R93-D221 PolarHBondContact NH1-OD2 3.13Å; R93-D221 VanDerWaalsContact NH2-CB 3.28Å; R93-D221 IonicContact NH2-OD1 3.62Å; R93-D221 PolarHBondContact NH2-OD1 3.01Å; R93-D221 IonicContact NH2-OD2 3.92Å; R93-D221 PolarHBondContact NH2-OD2 2.91Å; D217-D221 PolarHBondContact O-N 3.02Å; M218-D221 PolarHBondContact O-N 3.46Å; F219-D221 VanDerWaalsContact C-N 3.26Å; F219-D221 PolarHBondContact O-N 3.32Å
222	M	75.2	Confident	72.8	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-73.6	-31	176	-72.6	-172.4	-65.8	0	0	113.2	F130 I131 M134 M218 F219 M224 L225 V226	F130-M222 HydrophobicContact CD1-SD 3.34Å; F130-M222 WeakPolarHBondContact CD1-SD 3.27Å; F130-M222 HydrophobicContact CE1-CE 4.34Å; F130-M222 HydrophobicContact CE1-CG 4.29Å; F130-M222 HydrophobicContact CE1-SD 3.14Å; F130-M222 WeakPolarHBondContact CE1-SD 3.38Å; F130-M222 HydrophobicContact CG-SD 4.4Å; F130-M222 HydrophobicContact CZ-SD 4.08Å; I131-M222 HydrophobicContact CG1-CB 4.46Å; I131-M222 HydrophobicContact CG1-SD 4.08Å; M134-M222 HydrophobicContact CB-CE 4.26Å; M134-M222 HydrophobicContact CG-CE 4.31Å; M218-M222 HydrophobicContact CG-CE 4.11Å; M218-M222 WeakPolarHBondContact O-CG 3.37Å; M218-M222 PolarHBondContact O-N 2.93Å; F219-M222 HydrophobicContact CD1-CE 3.65Å; F219-M222 HydrophobicContact CE1-CE 3.96Å; F219-M222 HydrophobicContact CG-CE 4.17Å; F219-M222 PolarHBondContact O-N 3.32Å; M222-M224 PolarHBondContact O-N 3Å; M222-L225 CarbonylContact O-C 3.57Å; M222-L225 WeakPolarHBondContact O-CA 3.42Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 3.5Å; M222-V226 WeakPolarHBondContact O-CG2 3.42Å; M222-V226 PolarHBondContact O-N 3.22Å
223	A	71.3	Confident	71.5	Confident	57 Å²	57	63 Å²	63	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-39.8	178	0	0	0	0	0	110.9	F219 L225 V226 E227	F219-A223 WeakPolarHBondContact O-CB 3.21Å; F219-A223 PolarHBondContact O-N 2.69Å; A223-L225 VanDerWaalsContact C-N 3.28Å; A223-L225 PolarHBondContact O-N 3.49Å; A223-V226 PolarHBondContact O-N 3.48Å; A223-V226 VanDerWaalsContact O-N 3.14Å; A223-E227 PolarHBondContact O-N 3.23Å
224	M	65.3	Low	70.2	Confident	119 Å²	119	61.4 Å²	61.4	59%	0.586	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-35.2	172.7	-66.4	-173.9	-74.2	0	0	112.3	M222 V226	M222-M224 PolarHBondContact O-N 3Å; M224-V226 VanDerWaalsContact C-N 3.33Å
225	L	64.4	Low	69.2	Low	20 Å²	20	63.9 Å²	63.9	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-73.9	-19.8	176.2	-56.3	177.6	0	0	0	113.5	E100 Y123 M222 A223 S228 Q229	E100-L225 VanDerWaalsContact CD-CD2 3.48Å; E100-L225 VanDerWaalsContact OE1-CD2 3.29Å; E100-L225 WeakPolarHBondContact OE1-CD2 3.32Å; E100-L225 WeakPolarHBondContact OE2-CD2 3.28Å; Y123-L225 WeakPolarHBondContact OH-CD2 3.41Å; M222-L225 CarbonylContact O-C 3.57Å; M222-L225 WeakPolarHBondContact O-CA 3.42Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 3.5Å; A223-L225 VanDerWaalsContact C-N 3.28Å; A223-L225 PolarHBondContact O-N 3.49Å; L225-S228 PolarHBondContact O-OG 2.92Å; L225-S228 VanDerWaalsContact O-OG 3.14Å; L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-NE2 2.85Å; L225-Q229 VanDerWaalsContact O-NE2 3.07Å
226	V	63.9	Low	68.1	Low	67 Å²	67	64.7 Å²	64.7	41%	0.406	34%	0.338	S	S	.	.	H	α-helix	trans	-81.3	-38.3	176.1	178.9	0	0	0	0	111	I131 M222 A223 M224 S228 Q229	I131-V226 HydrophobicContact CD1-CG2 3.07Å; I131-V226 HydrophobicContact CG1-CG2 4.4Å; M222-V226 WeakPolarHBondContact O-CG2 3.42Å; M222-V226 PolarHBondContact O-N 3.22Å; A223-V226 PolarHBondContact O-N 3.48Å; A223-V226 VanDerWaalsContact O-N 3.14Å; M224-V226 VanDerWaalsContact C-N 3.33Å; V226-S228 VanDerWaalsContact C-N 3.26Å; V226-S228 PolarHBondContact O-N 2.88Å; V226-Q229 WeakPolarHBondContact O-CB 3.21Å; V226-Q229 PolarHBondContact O-N 2.84Å
227	E	62.2	Low	67.2	Low	163 Å²	163	65.6 Å²	65.6	76%	0.762	34%	0.343	S	S	*	.	H	α-helix	trans	-60.8	-39.1	178.4	-164.9	168.4	-166.1	0	0	110.9	A223 Q229	A223-E227 PolarHBondContact O-N 3.23Å; E227-Q229 VanDerWaalsContact C-N 3.3Å; E227-Q229 PolarHBondContact O-N 3.18Å
228	S	59.4	Low	66.6	Low	34 Å²	34	66.7 Å²	66.7	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-69.5	-21.3	175.4	68.9	0	0	0	0	114.3	E100 L225 V226 M232	E100-S228 PolarHBondContact OE1-OG 3.44Å; L225-S228 PolarHBondContact O-OG 2.92Å; L225-S228 VanDerWaalsContact O-OG 3.14Å; V226-S228 VanDerWaalsContact C-N 3.26Å; V226-S228 PolarHBondContact O-N 2.88Å; S228-M232 WeakPolarHBondContact O-CE 3.25Å; S228-M232 PolarHBondContact O-N 3.07Å
229	Q	59.4	Low	65.8	Low	8 Å²	8	67.8 Å²	67.8	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-71.5	-32	-179.7	-77.8	173.7	68.2	0	0	113.4	Y123 S124 S127 L225 V226 E227 E231 M232 I233	Y123-Q229 HydrophobicContact CD1-CG 4.48Å; Y123-Q229 HydrophobicContact CE1-CG 4.08Å; S124-Q229 VanDerWaalsContact CA-OE1 3.31Å; S124-Q229 PolarHBondContact O-OE1 3.4Å; S124-Q229 VanDerWaalsContact O-OE1 3.12Å; S124-Q229 PolarHBondContact OG-OE1 3.34Å; S127-Q229 VanDerWaalsContact CB-NE2 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-NE2 2.85Å; L225-Q229 VanDerWaalsContact O-NE2 3.07Å; V226-Q229 WeakPolarHBondContact O-CB 3.21Å; V226-Q229 PolarHBondContact O-N 2.84Å; E227-Q229 VanDerWaalsContact C-N 3.3Å; E227-Q229 PolarHBondContact O-N 3.18Å; Q229-E231 PolarHBondContact O-N 3.03Å; Q229-M232 HydrophobicContact CG-CE 4.44Å; Q229-M232 PolarHBondContact O-N 2.93Å; Q229-I233 WeakPolarHBondContact O-CG1 3.21Å; Q229-I233 PolarHBondContact O-N 3.16Å
230	G	61.4	Low	65.1	Low	37 Å²	37	68.9 Å²	68.9	38%	0.381	36%	0.356	S	S	.	.	H	α-helix	trans	-57.9	-49.5	178	0	0	0	0	0	111.4	M232 I233 D234	G230-M232 VanDerWaalsContact C-N 3.31Å; G230-M232 PolarHBondContact O-N 3.5Å; G230-I233 PolarHBondContact O-N 3.24Å; G230-D234 PolarHBondContact O-N 3.21Å
231	E	62.2	Low	64.6	Low	130 Å²	130	69.8 Å²	69.8	61%	0.607	36%	0.359	S	S	*	.	H	α-helix	trans	-64.2	-34.7	177.9	-60.8	-168.7	174.2	0	0	113	Q229 R235	Q229-E231 PolarHBondContact O-N 3.03Å; E231-R235 VanDerWaalsContact O-CG 3.25Å; E231-R235 WeakPolarHBondContact O-CG 3.4Å; E231-R235 PolarHBondContact O-N 2.66Å
232	M	59.2	Low	64	Low	18 Å²	18	69.9 Å²	69.9	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-71.5	-39.8	179.5	-79.4	-170.2	-87.5	0	0	113.2	I103 K120 Y123 S228 Q229 G230 R235 I236	I103-M232 HydrophobicContact CG2-SD 4.21Å; K120-M232 HydrophobicContact CD-CG 4.43Å; K120-M232 HydrophobicContact CG-SD 4.08Å; Y123-M232 HydrophobicContact CD1-CE 3.72Å; Y123-M232 HydrophobicContact CD1-SD 4.25Å; Y123-M232 HydrophobicContact CE1-CE 3.46Å; Y123-M232 VanDerWaalsContact CE1-CE 3.46Å; S228-M232 WeakPolarHBondContact O-CE 3.25Å; S228-M232 PolarHBondContact O-N 3.07Å; Q229-M232 HydrophobicContact CG-CE 4.44Å; Q229-M232 PolarHBondContact O-N 2.93Å; G230-M232 VanDerWaalsContact C-N 3.31Å; G230-M232 PolarHBondContact O-N 3.5Å; M232-R235 PolarHBondContact O-N 3.46Å; M232-I236 WeakPolarHBondContact O-CG1 3.33Å; M232-I236 PolarHBondContact O-N 2.93Å
233	I	62	Low	63.7	Low	47 Å²	47	71 Å²	71	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-47.1	179.3	-67.3	171.6	0	0	0	110.2	S124 Q229 G230 R235 I236 E237	S124-I233 WeakPolarHBondContact OG-CD1 3.32Å; Q229-I233 WeakPolarHBondContact O-CG1 3.21Å; Q229-I233 PolarHBondContact O-N 3.16Å; G230-I233 PolarHBondContact O-N 3.24Å; I233-R235 PolarHBondContact O-N 3.03Å; I233-I236 WeakPolarHBondContact O-CA 3.45Å; I233-I236 WeakPolarHBondContact O-CB 3.34Å; I233-I236 PolarHBondContact O-N 3.1Å; I233-E237 PolarHBondContact O-N 3.37Å; I233-E237 VanDerWaalsContact O-N 3.07Å
234	D	62.4	Low	63.4	Low	107 Å²	107	71.8 Å²	71.8	57%	0.572	37%	0.367	S	S	*	.	H	α-helix	trans	-58.7	-37	179.5	-70.1	-8.3	0	0	0	111.3	G230 I236 E237 Y238	G230-D234 PolarHBondContact O-N 3.21Å; D234-I236 PolarHBondContact O-N 3.33Å; D234-E237 PolarHBondContact O-N 3.01Å; D234-Y238 WeakPolarHBondContact O-CB 3.5Å; D234-Y238 PolarHBondContact O-N 3.05Å
235	R	60.8	Low	63.3	Low	111 Å²	111	70.5 Å²	70.5	42%	0.419	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-30.9	173.7	-72.9	176.8	-174.5	-171.6	5.8	113.2	E107 E231 M232 I233 N239	E107-R235 IonicContact OE1-NH1 2.6Å; E107-R235 PolarHBondContact OE1-NH1 3.09Å; E107-R235 IonicContact OE2-NH1 3Å; E107-R235 PolarHBondContact OE2-NH1 3.01Å; E231-R235 VanDerWaalsContact O-CG 3.25Å; E231-R235 WeakPolarHBondContact O-CG 3.4Å; E231-R235 PolarHBondContact O-N 2.66Å; M232-R235 PolarHBondContact O-N 3.46Å; I233-R235 PolarHBondContact O-N 3.03Å; R235-N239 WeakPolarHBondContact O-CB 3.3Å; R235-N239 PolarHBondContact O-N 3.45Å; R235-N239 PolarHBondContact O-ND2 3.03Å; R235-N239 VanDerWaalsContact O-ND2 3.13Å
236	I	60.9	Low	63.5	Low	24 Å²	24	77.1 Å²	77.1	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-69.6	-47.6	176.1	-68.8	157.5	0	0	0	109.7	K120 T121 M232 I233 D234 Y238 N239 V240	K120-I236 HydrophobicContact CB-CD1 3.75Å; K120-I236 HydrophobicContact CB-CG1 4.26Å; T121-I236 VanDerWaalsContact OG1-CD1 3.32Å; T121-I236 WeakPolarHBondContact OG1-CD1 3.44Å; M232-I236 WeakPolarHBondContact O-CG1 3.33Å; M232-I236 PolarHBondContact O-N 2.93Å; I233-I236 WeakPolarHBondContact O-CA 3.45Å; I233-I236 WeakPolarHBondContact O-CB 3.34Å; I233-I236 PolarHBondContact O-N 3.1Å; D234-I236 PolarHBondContact O-N 3.33Å; I236-Y238 VanDerWaalsContact C-N 3.34Å; I236-Y238 PolarHBondContact O-N 3.47Å; I236-N239 PolarHBondContact O-N 3.15Å; I236-V240 HydrophobicContact CG2-CG2 4.26Å; I236-V240 WeakPolarHBondContact O-CB 3.32Å; I236-V240 VanDerWaalsContact O-CG2 3.3Å; I236-V240 WeakPolarHBondContact O-CG2 3.34Å; I236-V240 PolarHBondContact O-N 3.21Å
237	E	65.5	Low	63.9	Low	120 Å²	120	79.6 Å²	79.6	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-56.9	-50.3	176.3	-67	-172.5	171.9	0	0	110.1	I233 D234 N239 V240 E241	I233-E237 PolarHBondContact O-N 3.37Å; I233-E237 VanDerWaalsContact O-N 3.07Å; D234-E237 PolarHBondContact O-N 3.01Å; E237-N239 PolarHBondContact O-N 3.39Å; E237-V240 PolarHBondContact O-N 3.17Å; E237-V240 VanDerWaalsContact O-N 3.16Å; E237-E241 WeakPolarHBondContact O-CG 3.04Å; E237-E241 PolarHBondContact O-N 2.84Å
238	Y	68.2	Low	64.3	Low	126 Å²	126	78 Å²	78	49%	0.494	39%	0.389	S	S	.	.	H	α-helix	trans	-57.4	-42.6	175.9	-178.6	-106.7	0	0	0	113.4	D234 I236 E241 Q242	D234-Y238 WeakPolarHBondContact O-CB 3.5Å; D234-Y238 PolarHBondContact O-N 3.05Å; I236-Y238 VanDerWaalsContact C-N 3.34Å; I236-Y238 PolarHBondContact O-N 3.47Å; Y238-E241 PolarHBondContact O-N 3.2Å; Y238-Q242 HydrophobicContact CE1-CG 4.19Å; Y238-Q242 HydrophobicContact CE2-CG 4.39Å; Y238-Q242 WeakPolarHBondContact O-CG 3.42Å; Y238-Q242 PolarHBondContact O-N 3.45Å; Y238-Q242 PolarHBondContact OH-NE2 3.18Å
239	N	64.4	Low	64.9	Low	26 Å²	26	79.5 Å²	79.5	14%	0.139	40%	0.4	C	S	.	.	H	α-helix	trans	-75.4	-26.1	179.7	-75.1	-27.5	0	0	0	113.3	R117 R235 I236 E237 A243	R117-N239 PolarHBondContact NH1-O 2.98Å; R235-N239 WeakPolarHBondContact O-CB 3.3Å; R235-N239 PolarHBondContact O-N 3.45Å; R235-N239 PolarHBondContact O-ND2 3.03Å; R235-N239 VanDerWaalsContact O-ND2 3.13Å; I236-N239 PolarHBondContact O-N 3.15Å; E237-N239 PolarHBondContact O-N 3.39Å; N239-A243 WeakPolarHBondContact O-CB 3.42Å; N239-A243 PolarHBondContact O-N 3.05Å
240	V	67	Low	65.7	Low	70 Å²	70	81.6 Å²	81.6	42%	0.424	42%	0.419	S	S	.	.	H	α-helix	trans	-71.1	-44.3	171.2	170.4	0	0	0	0	109.5	I236 E237 Q242 A243 V244	I236-V240 HydrophobicContact CG2-CG2 4.26Å; I236-V240 WeakPolarHBondContact O-CB 3.32Å; I236-V240 VanDerWaalsContact O-CG2 3.3Å; I236-V240 WeakPolarHBondContact O-CG2 3.34Å; I236-V240 PolarHBondContact O-N 3.21Å; E237-V240 PolarHBondContact O-N 3.17Å; E237-V240 VanDerWaalsContact O-N 3.16Å; V240-Q242 PolarHBondContact O-N 2.79Å; V240-A243 PolarHBondContact O-N 3.42Å; V240-V244 WeakPolarHBondContact O-CG2 3.26Å; V240-V244 PolarHBondContact O-N 3.17Å
241	E	67.3	Low	66.6	Low	121 Å²	121	87.3 Å²	87.3	57%	0.565	43%	0.433	S	S	*	.	H	α-helix	trans	-56.5	-49.9	172.6	-72.2	179.7	171	0	0	111.1	E237 Y238 A243 V244 D245	E237-E241 WeakPolarHBondContact O-CG 3.04Å; E237-E241 PolarHBondContact O-N 2.84Å; Y238-E241 PolarHBondContact O-N 3.2Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.97Å; E241-V244 WeakPolarHBondContact O-CB 3.15Å; E241-V244 PolarHBondContact O-N 3.11Å; E241-V244 VanDerWaalsContact O-N 3.11Å; E241-D245 PolarHBondContact O-N 2.85Å
242	Q	62.6	Low	67.4	Low	57 Å²	57	83.2 Å²	83.2	27%	0.266	42%	0.421	S	S	.	.	H	α-helix	trans	-62.9	-36.7	177	-73.8	-146.8	87.6	0	0	113.2	Y238 V240 V244 D245 Y246	Y238-Q242 HydrophobicContact CE1-CG 4.19Å; Y238-Q242 HydrophobicContact CE2-CG 4.39Å; Y238-Q242 WeakPolarHBondContact O-CG 3.42Å; Y238-Q242 PolarHBondContact O-N 3.45Å; Y238-Q242 PolarHBondContact OH-NE2 3.18Å; V240-Q242 PolarHBondContact O-N 2.79Å; Q242-V244 VanDerWaalsContact C-N 3.3Å; Q242-V244 PolarHBondContact O-N 3.46Å; Q242-D245 WeakPolarHBondContact O-CB 3.39Å; Q242-D245 PolarHBondContact O-N 2.9Å; Q242-Y246 HydrophobicContact CB-CD2 4.45Å; Q242-Y246 HydrophobicContact CB-CE2 4.31Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.2Å; Q242-Y246 PolarHBondContact O-N 3.43Å
243	A	67.2	Low	68.4	Low	29 Å²	29	86.5 Å²	86.5	24%	0.24	44%	0.439	C	S	.	.	H	α-helix	trans	-63.9	-37	175.6	0	0	0	0	0	111.9	N239 V240 E241 I247	N239-A243 WeakPolarHBondContact O-CB 3.42Å; N239-A243 PolarHBondContact O-N 3.05Å; V240-A243 PolarHBondContact O-N 3.42Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.97Å; A243-I247 VanDerWaalsContact O-CG1 3.26Å; A243-I247 WeakPolarHBondContact O-CG1 3.5Å; A243-I247 PolarHBondContact O-N 3.07Å
244	V	65.3	Low	69.3	Low	74 Å²	74	88.3 Å²	88.3	45%	0.448	45%	0.452	S	S	.	.	H	α-helix	trans	-62.7	-46.3	171.8	174.1	0	0	0	0	109.9	V240 E241 Q242 Y246 I247 E248	V240-V244 WeakPolarHBondContact O-CG2 3.26Å; V240-V244 PolarHBondContact O-N 3.17Å; E241-V244 WeakPolarHBondContact O-CB 3.15Å; E241-V244 PolarHBondContact O-N 3.11Å; E241-V244 VanDerWaalsContact O-N 3.11Å; Q242-V244 VanDerWaalsContact C-N 3.3Å; Q242-V244 PolarHBondContact O-N 3.46Å; V244-Y246 PolarHBondContact O-N 3.26Å; V244-I247 PolarHBondContact O-N 2.94Å; V244-E248 WeakPolarHBondContact O-CG 3.48Å; V244-E248 PolarHBondContact O-N 3.23Å
245	D	63.4	Low	70.1	Confident	91 Å²	91	90 Å²	90	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-39.6	177.8	-69	-18.3	0	0	0	113.1	E241 Q242 E248 S249	E241-D245 PolarHBondContact O-N 2.85Å; Q242-D245 WeakPolarHBondContact O-CB 3.39Å; Q242-D245 PolarHBondContact O-N 2.9Å; D245-E248 PolarHBondContact O-N 3.47Å; D245-S249 VanDerWaalsContact O-CB 3.29Å; D245-S249 WeakPolarHBondContact O-CB 3.41Å; D245-S249 PolarHBondContact O-N 3.08Å; D245-S249 PolarHBondContact O-OG 2.93Å
246	Y	68.1	Low	71.1	Confident	160 Å²	160	89.7 Å²	89.7	63%	0.627	46%	0.456	S	S	*	.	H	α-helix	trans	-65.3	-41	174.7	-81.2	-64.6	0	0	0	111.7	Q242 V244 S249 A250	Q242-Y246 HydrophobicContact CB-CD2 4.45Å; Q242-Y246 HydrophobicContact CB-CE2 4.31Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.2Å; Q242-Y246 PolarHBondContact O-N 3.43Å; V244-Y246 PolarHBondContact O-N 3.26Å; Y246-S249 PolarHBondContact O-N 3.44Å; Y246-A250 WeakPolarHBondContact O-CB 3.36Å; Y246-A250 PolarHBondContact O-N 3.26Å
247	I	72.1	Confident	71.9	Confident	119 Å²	119	91.2 Å²	91.2	61%	0.61	47%	0.473	S	S	*	.	H	α-helix	trans	-66.7	-41.3	176.9	-69.5	167	0	0	0	110.3	A243 V244 A250 K251	A243-I247 VanDerWaalsContact O-CG1 3.26Å; A243-I247 WeakPolarHBondContact O-CG1 3.5Å; A243-I247 PolarHBondContact O-N 3.07Å; V244-I247 PolarHBondContact O-N 2.94Å; I247-A250 PolarHBondContact O-N 3.35Å; I247-K251 WeakPolarHBondContact O-CB 3.44Å; I247-K251 PolarHBondContact O-N 3.41Å
248	E	70.9	Confident	72.6	Confident	128 Å²	128	89.8 Å²	89.8	60%	0.598	47%	0.472	S	S	*	.	H	α-helix	trans	-63.7	-44	175.7	-72.8	-162.3	167.6	0	0	112.1	V244 D245 K251 A252	V244-E248 WeakPolarHBondContact O-CG 3.48Å; V244-E248 PolarHBondContact O-N 3.23Å; D245-E248 PolarHBondContact O-N 3.47Å; E248-K251 PolarHBondContact O-N 3.49Å; E248-A252 PolarHBondContact O-N 2.85Å
249	S	72.8	Confident	73.1	Confident	66 Å²	66	89.9 Å²	89.9	46%	0.462	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-46.1	175.9	-61.5	0	0	0	0	111.8	D245 Y246 K251 A252 D253	D245-S249 VanDerWaalsContact O-CB 3.29Å; D245-S249 WeakPolarHBondContact O-CB 3.41Å; D245-S249 PolarHBondContact O-N 3.08Å; D245-S249 PolarHBondContact O-OG 2.93Å; Y246-S249 PolarHBondContact O-N 3.44Å; S249-K251 VanDerWaalsContact C-N 3.31Å; S249-K251 PolarHBondContact O-N 3.39Å; S249-A252 WeakPolarHBondContact O-CA 3.5Å; S249-A252 WeakPolarHBondContact O-CB 3.29Å; S249-A252 PolarHBondContact O-N 2.86Å; S249-A252 VanDerWaalsContact O-N 3.08Å; S249-D253 PolarHBondContact O-N 2.88Å
250	A	75.7	Confident	73.8	Confident	53 Å²	53	97 Å²	97	44%	0.438	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-37.6	175.8	0	0	0	0	0	111.8	Y246 I247 A252 D253 T254	Y246-A250 WeakPolarHBondContact O-CB 3.36Å; Y246-A250 PolarHBondContact O-N 3.26Å; I247-A250 PolarHBondContact O-N 3.35Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-D253 PolarHBondContact O-N 2.81Å; A250-T254 WeakPolarHBondContact O-CB 3.38Å; A250-T254 VanDerWaalsContact O-CG2 3.25Å; A250-T254 WeakPolarHBondContact O-CG2 3.46Å; A250-T254 PolarHBondContact O-N 2.85Å; A250-T254 PolarHBondContact O-OG1 3.21Å
251	K	79.8	Confident	74	Confident	157 Å²	157	98.5 Å²	98.5	68%	0.683	50%	0.504	S	S	*	.	H	α-helix	trans	-65.2	-37.5	172.8	-174.9	179.3	179.7	-179.7	0	111.8	I247 E248 S249 T254 K255	I247-K251 WeakPolarHBondContact O-CB 3.44Å; I247-K251 PolarHBondContact O-N 3.41Å; E248-K251 PolarHBondContact O-N 3.49Å; S249-K251 VanDerWaalsContact C-N 3.31Å; S249-K251 PolarHBondContact O-N 3.39Å; K251-T254 WeakPolarHBondContact CA-OG1 3.36Å; K251-T254 PolarHBondContact O-OG1 2.82Å; K251-K255 WeakPolarHBondContact O-CB 3.25Å; K251-K255 PolarHBondContact O-N 2.99Å
252	A	80.8	Confident	74.5	Confident	44 Å²	44	95.3 Å²	95.3	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-68.2	-42.5	174.7	0	0	0	0	0	111.8	E248 S249 A250 K255 K256	E248-A252 PolarHBondContact O-N 2.85Å; S249-A252 WeakPolarHBondContact O-CA 3.5Å; S249-A252 WeakPolarHBondContact O-CB 3.29Å; S249-A252 PolarHBondContact O-N 2.86Å; S249-A252 VanDerWaalsContact O-N 3.08Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A252-K255 WeakPolarHBondContact O-CB 3.39Å; A252-K255 PolarHBondContact O-N 3.4Å; A252-K256 WeakPolarHBondContact O-CG 3.33Å; A252-K256 PolarHBondContact O-N 2.83Å
253	D	80.3	Confident	75	Confident	86 Å²	86	95.6 Å²	95.6	46%	0.46	50%	0.503	S	S	.	.	H	α-helix	trans	-73.6	-37.9	-178.4	-74.6	-15.3	0	0	0	112.9	S249 A250 K255 K256 A257	S249-D253 PolarHBondContact O-N 2.88Å; A250-D253 PolarHBondContact O-N 2.81Å; D253-K255 VanDerWaalsContact C-N 3.29Å; D253-K255 PolarHBondContact O-N 3.4Å; D253-K256 PolarHBondContact O-N 3.29Å; D253-K256 VanDerWaalsContact O-N 3.16Å; D253-K256 IonicContact OD1-NZ 3.55Å; D253-K256 PolarHBondContact OD1-NZ 3.3Å; D253-A257 WeakPolarHBondContact O-CB 3.43Å; D253-A257 PolarHBondContact O-N 2.78Å
254	T	78.9	Confident	75	Confident	85 Å²	85	97.1 Å²	97.1	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-40.1	169.1	50	0	0	0	0	111.2	A250 K251 K256 A257 V258	A250-T254 WeakPolarHBondContact O-CB 3.38Å; A250-T254 VanDerWaalsContact O-CG2 3.25Å; A250-T254 WeakPolarHBondContact O-CG2 3.46Å; A250-T254 PolarHBondContact O-N 2.85Å; A250-T254 PolarHBondContact O-OG1 3.21Å; K251-T254 WeakPolarHBondContact CA-OG1 3.36Å; K251-T254 PolarHBondContact O-OG1 2.82Å; T254-K256 PolarHBondContact O-N 3.47Å; T254-A257 PolarHBondContact O-N 3.5Å; T254-V258 WeakPolarHBondContact O-CG2 3.37Å; T254-V258 PolarHBondContact O-N 3.41Å
255	K	81	Confident	74.9	Confident	143 Å²	143	101.2 Å²	101.2	62%	0.622	52%	0.523	S	S	*	.	H	α-helix	trans	-64.3	-39	173.9	-168.9	177.2	-174.5	177.1	0	112.5	K251 A252 D253 K259	K251-K255 WeakPolarHBondContact O-CB 3.25Å; K251-K255 PolarHBondContact O-N 2.99Å; A252-K255 WeakPolarHBondContact O-CB 3.39Å; A252-K255 PolarHBondContact O-N 3.4Å; D253-K255 VanDerWaalsContact C-N 3.29Å; D253-K255 PolarHBondContact O-N 3.4Å; K255-K259 WeakPolarHBondContact O-CG 3.43Å; K255-K259 PolarHBondContact O-N 2.97Å
256	K	81.3	Confident	74.9	Confident	104 Å²	104	104 Å²	104	45%	0.452	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-44	172.8	-69.1	173.9	-161.8	153	0	111.1	A252 D253 T254 V258 K259 Y260	A252-K256 WeakPolarHBondContact O-CG 3.33Å; A252-K256 PolarHBondContact O-N 2.83Å; D253-K256 PolarHBondContact O-N 3.29Å; D253-K256 VanDerWaalsContact O-N 3.16Å; D253-K256 IonicContact OD1-NZ 3.55Å; D253-K256 PolarHBondContact OD1-NZ 3.3Å; T254-K256 PolarHBondContact O-N 3.47Å; K256-V258 VanDerWaalsContact C-N 3.33Å; K256-V258 PolarHBondContact O-N 3.33Å; K256-K259 CarbonylContact O-C 3.58Å; K256-K259 WeakPolarHBondContact O-CA 3.43Å; K256-K259 WeakPolarHBondContact O-CB 3.35Å; K256-K259 PolarHBondContact O-N 3.32Å; K256-Y260 HydrophobicContact CB-CD2 4.32Å; K256-Y260 HydrophobicContact CB-CE2 4.07Å; K256-Y260 WeakPolarHBondContact O-CD2 3.47Å; K256-Y260 PolarHBondContact O-N 2.78Å
257	A	78	Confident	74.5	Confident	56 Å²	56	100.1 Å²	100.1	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-58.9	-42.9	178.5	0	0	0	0	0	111.7	D253 T254 K259 Y260 Q261	D253-A257 WeakPolarHBondContact O-CB 3.43Å; D253-A257 PolarHBondContact O-N 2.78Å; T254-A257 PolarHBondContact O-N 3.5Å; A257-K259 PolarHBondContact O-N 3.16Å; A257-Y260 PolarHBondContact O-N 2.96Å; A257-Q261 WeakPolarHBondContact O-CB 3.15Å; A257-Q261 PolarHBondContact O-N 3.2Å
258	V	79.2	Confident	73.7	Confident	90 Å²	90	96.6 Å²	96.6	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-39.6	173.5	172.7	0	0	0	0	111.9	T254 K256 S262	T254-V258 WeakPolarHBondContact O-CG2 3.37Å; T254-V258 PolarHBondContact O-N 3.41Å; K256-V258 VanDerWaalsContact C-N 3.33Å; K256-V258 PolarHBondContact O-N 3.33Å; V258-S262 WeakPolarHBondContact O-CB 3.42Å; V258-S262 PolarHBondContact O-N 3.34Å; V258-S262 PolarHBondContact O-OG 2.89Å
259	K	79.4	Confident	73	Confident	129 Å²	129	95.3 Å²	95.3	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-65	-42.3	174.4	-74.1	-178.5	178.4	-174.2	0	112.2	K255 K256 A257 S262 S263	K255-K259 WeakPolarHBondContact O-CG 3.43Å; K255-K259 PolarHBondContact O-N 2.97Å; K256-K259 CarbonylContact O-C 3.58Å; K256-K259 WeakPolarHBondContact O-CA 3.43Å; K256-K259 WeakPolarHBondContact O-CB 3.35Å; K256-K259 PolarHBondContact O-N 3.32Å; A257-K259 PolarHBondContact O-N 3.16Å; K259-S262 WeakPolarHBondContact CA-OG 3.23Å; K259-S262 PolarHBondContact O-OG 3.48Å; K259-S263 WeakPolarHBondContact O-CB 3.39Å; K259-S263 PolarHBondContact O-N 2.83Å; K259-S263 PolarHBondContact O-OG 2.84Å
260	Y	79.2	Confident	72.2	Confident	174 Å²	174	97.4 Å²	97.4	68%	0.682	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-43.7	176.1	-71.7	-55.6	0	0	0	111.6	K256 A257 S262 S263 A264	K256-Y260 HydrophobicContact CB-CD2 4.32Å; K256-Y260 HydrophobicContact CB-CE2 4.07Å; K256-Y260 WeakPolarHBondContact O-CD2 3.47Å; K256-Y260 PolarHBondContact O-N 2.78Å; A257-Y260 PolarHBondContact O-N 2.96Å; Y260-S262 PolarHBondContact O-N 3Å; Y260-S263 PolarHBondContact O-N 2.95Å; Y260-A264 VanDerWaalsContact O-CB 3.23Å; Y260-A264 WeakPolarHBondContact O-CB 3.37Å; Y260-A264 PolarHBondContact O-N 3.05Å
261	Q	71.6	Confident	71.3	Confident	103 Å²	103	99.3 Å²	99.3	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-45.9	176.4	-168.5	-170.6	30.6	0	0	111.7	A257 S263 A264 R265	A257-Q261 WeakPolarHBondContact O-CB 3.15Å; A257-Q261 PolarHBondContact O-N 3.2Å; Q261-S263 PolarHBondContact O-N 2.97Å; Q261-A264 PolarHBondContact O-N 2.95Å; Q261-R265 WeakPolarHBondContact O-CG 3.5Å; Q261-R265 PolarHBondContact O-N 3.45Å
262	S	76	Confident	70.2	Confident	54 Å²	54	93.5 Å²	93.5	38%	0.378	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-35.1	178.5	55.1	0	0	0	0	113	V258 K259 Y260 K266	V258-S262 WeakPolarHBondContact O-CB 3.42Å; V258-S262 PolarHBondContact O-N 3.34Å; V258-S262 PolarHBondContact O-OG 2.89Å; K259-S262 WeakPolarHBondContact CA-OG 3.23Å; K259-S262 PolarHBondContact O-OG 3.48Å; Y260-S262 PolarHBondContact O-N 3Å; S262-K266 WeakPolarHBondContact O-CG 3.48Å; S262-K266 PolarHBondContact O-N 3.49Å
263	S	75	Confident	69	Low	63 Å²	63	95.6 Å²	95.6	44%	0.441	52%	0.52	S	S	.	.	H	α-helix	trans	-73.5	-39.8	176.3	-55.2	0	0	0	0	111.7	K259 Y260 Q261 K266 V267	K259-S263 WeakPolarHBondContact O-CB 3.39Å; K259-S263 PolarHBondContact O-N 2.83Å; K259-S263 PolarHBondContact O-OG 2.84Å; Y260-S263 PolarHBondContact O-N 2.95Å; Q261-S263 PolarHBondContact O-N 2.97Å; S263-K266 PolarHBondContact O-N 3.43Å; S263-V267 WeakPolarHBondContact O-CG2 3.31Å; S263-V267 PolarHBondContact O-N 3.06Å; S263-V267 VanDerWaalsContact O-N 3.13Å
264	A	66.3	Low	67.7	Low	60 Å²	60	99.4 Å²	99.4	50%	0.496	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-37.9	174.7	0	0	0	0	0	112.1	Y260 Q261 K266 V267 G268	Y260-A264 VanDerWaalsContact O-CB 3.23Å; Y260-A264 WeakPolarHBondContact O-CB 3.37Å; Y260-A264 PolarHBondContact O-N 3.05Å; Q261-A264 PolarHBondContact O-N 2.95Å; A264-K266 PolarHBondContact O-N 3.33Å; A264-V267 PolarHBondContact O-N 3.08Å; A264-G268 PolarHBondContact O-N 3.41Å
265	R	63.9	Low	66.6	Low	161 Å²	161	99.5 Å²	99.5	61%	0.608	53%	0.529	S	S	*	.	H	α-helix	trans	-60.9	-42.2	172.7	-74.1	-178.5	-166.2	-167.9	6.1	111.9	Q261 V267 G268 T269	Q261-R265 WeakPolarHBondContact O-CG 3.5Å; Q261-R265 PolarHBondContact O-N 3.45Å; R265-V267 VanDerWaalsContact C-N 3.33Å; R265-V267 PolarHBondContact O-N 3.49Å; R265-G268 PolarHBondContact O-N 3Å; R265-T269 PolarHBondContact O-N 2.88Å; R265-T269 PolarHBondContact O-OG1 3.45Å
266	K	63.5	Low	65.3	Low	148 Å²	148	96.5 Å²	96.5	64%	0.643	53%	0.525	S	S	*	.	H	α-helix	trans	-61.9	-40.9	176.2	-69.4	176.1	-178	179.6	0	112	S262 S263 A264 I270	S262-K266 WeakPolarHBondContact O-CG 3.48Å; S262-K266 PolarHBondContact O-N 3.49Å; S263-K266 PolarHBondContact O-N 3.43Å; A264-K266 PolarHBondContact O-N 3.33Å; K266-I270 WeakPolarHBondContact O-CD1 3.48Å; K266-I270 VanDerWaalsContact O-CG1 3.28Å; K266-I270 WeakPolarHBondContact O-CG1 3.41Å; K266-I270 PolarHBondContact O-N 3Å
267	V	58.7	Low	64.2	Low	80 Å²	80	95.7 Å²	95.7	49%	0.485	53%	0.531	S	S	.	.	H	α-helix	trans	-71	-40.7	177.4	176.7	0	0	0	0	111.3	S263 A264 R265 T269 I270 I271	S263-V267 WeakPolarHBondContact O-CG2 3.31Å; S263-V267 PolarHBondContact O-N 3.06Å; S263-V267 VanDerWaalsContact O-N 3.13Å; A264-V267 PolarHBondContact O-N 3.08Å; R265-V267 VanDerWaalsContact C-N 3.33Å; R265-V267 PolarHBondContact O-N 3.49Å; V267-T269 VanDerWaalsContact C-N 3.32Å; V267-T269 PolarHBondContact O-N 2.78Å; V267-I270 PolarHBondContact O-N 3.06Å; V267-I270 VanDerWaalsContact O-N 3.13Å; V267-I271 HydrophobicContact CG1-CD1 3.49Å; V267-I271 VanDerWaalsContact CG1-CD1 3.49Å; V267-I271 HydrophobicContact CG1-CG1 4.05Å; V267-I271 WeakPolarHBondContact O-CB 3.21Å; V267-I271 WeakPolarHBondContact O-CG1 3.5Å; V267-I271 PolarHBondContact O-N 3.42Å
268	G	55.2	Low	63.4	Low	44 Å²	44	99.3 Å²	99.3	45%	0.454	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-38.7	174.5	0	0	0	0	0	112.7	A264 R265 G272	A264-G268 PolarHBondContact O-N 3.41Å; R265-G268 PolarHBondContact O-N 3Å; G268-G272 WeakPolarHBondContact O-CA 3.34Å; G268-G272 PolarHBondContact O-N 3.42Å
269	T	56.4	Low	62.4	Low	102 Å²	102	100.4 Å²	100.4	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-68.2	-35.9	173.9	-51.2	0	0	0	0	112	R265 V267 C273	R265-T269 PolarHBondContact O-N 2.88Å; R265-T269 PolarHBondContact O-OG1 3.45Å; V267-T269 VanDerWaalsContact C-N 3.32Å; V267-T269 PolarHBondContact O-N 2.78Å; T269-C273 WeakPolarHBondContact O-CB 3.47Å; T269-C273 PolarHBondContact O-N 3.34Å
270	I	56.6	Low	61.6	Low	109 Å²	109	98.6 Å²	98.6	56%	0.559	54%	0.535	S	S	*	.	H	α-helix	trans	-73.6	-45	178.1	-65.9	165.3	0	0	0	111.3	K266 V267 C273 K274	K266-I270 WeakPolarHBondContact O-CD1 3.48Å; K266-I270 VanDerWaalsContact O-CG1 3.28Å; K266-I270 WeakPolarHBondContact O-CG1 3.41Å; K266-I270 PolarHBondContact O-N 3Å; V267-I270 PolarHBondContact O-N 3.06Å; V267-I270 VanDerWaalsContact O-N 3.13Å; I270-C273 PolarHBondContact O-N 2.79Å; I270-K274 WeakPolarHBondContact O-CG 3.46Å; I270-K274 PolarHBondContact O-N 3.13Å; I270-K274 VanDerWaalsContact O-N 3.08Å
271	I	56.7	Low	60.8	Low	93 Å²	93	96 Å²	96	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-69.9	-42.5	178.4	-63.4	177	0	0	0	110.2	V267 C273 K274 L275	V267-I271 HydrophobicContact CG1-CD1 3.49Å; V267-I271 VanDerWaalsContact CG1-CD1 3.49Å; V267-I271 HydrophobicContact CG1-CG1 4.05Å; V267-I271 WeakPolarHBondContact O-CB 3.21Å; V267-I271 WeakPolarHBondContact O-CG1 3.5Å; V267-I271 PolarHBondContact O-N 3.42Å; I271-C273 VanDerWaalsContact C-N 3.35Å; I271-C273 PolarHBondContact O-N 2.82Å; I271-K274 PolarHBondContact O-N 2.95Å; I271-L275 HydrophobicContact CG2-CD1 3.96Å; I271-L275 WeakPolarHBondContact O-CB 3.45Å; I271-L275 PolarHBondContact O-N 3.44Å
272	G	56.4	Low	60.3	Low	36 Å²	36	95.5 Å²	95.5	37%	0.371	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-37.6	174.7	0	0	0	0	0	112.9	G268 C276	G268-G272 WeakPolarHBondContact O-CA 3.34Å; G268-G272 PolarHBondContact O-N 3.42Å; G272-C276 WeakPolarHBondContact O-CB 3.41Å; G272-C276 PolarHBondContact O-N 2.94Å
273	C	54.6	Low	59.5	Low	88 Å²	88	102 Å²	102	60%	0.595	54%	0.544	S	S	*	.	H	α-helix	trans	-73.5	-29.3	177.1	-169.1	0	0	0	0	113	T269 I270 I271 P277	T269-C273 WeakPolarHBondContact O-CB 3.47Å; T269-C273 PolarHBondContact O-N 3.34Å; I270-C273 PolarHBondContact O-N 2.79Å; I271-C273 VanDerWaalsContact C-N 3.35Å; I271-C273 PolarHBondContact O-N 2.82Å; C273-P277 WeakPolarHBondContact O-CD 3.28Å
274	K	53.9	Low	58.8	Low	165 Å²	165	102.8 Å²	102.8	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-82.7	-31.6	174.6	-67.1	-69.7	-178.7	178.7	0	113.4	I270 I271 P277	I270-K274 WeakPolarHBondContact O-CG 3.46Å; I270-K274 PolarHBondContact O-N 3.13Å; I270-K274 VanDerWaalsContact O-N 3.08Å; I271-K274 PolarHBondContact O-N 2.95Å; K274-P277 WeakPolarHBondContact O-CD 3.41Å
275	L	55	Low	58.3	Low	88 Å²	88	105 Å²	105	46%	0.461	55%	0.548	S	S	.	.	H	α-helix	trans	-79.8	-24.4	172.3	-98.1	80.1	0	0	0	113.1	I271 F278 Q279	I271-L275 HydrophobicContact CG2-CD1 3.96Å; I271-L275 WeakPolarHBondContact O-CB 3.45Å; I271-L275 PolarHBondContact O-N 3.44Å; L275-F278 PolarHBondContact O-N 3.28Å; L275-Q279 WeakPolarHBondContact O-CB 3.44Å; L275-Q279 PolarHBondContact O-N 3.18Å
276	C	53.9	Low	58	Low	79 Å²	79	101 Å²	101	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-53	-50.2	178.8	-120.4	0	0	0	0	113.9	G272 F278 V280	G272-C276 WeakPolarHBondContact O-CB 3.41Å; G272-C276 PolarHBondContact O-N 2.94Å; C276-F278 VanDerWaalsContact C-N 3.29Å; C276-F278 PolarHBondContact O-N 3.13Å; C276-V280 VanDerWaalsContact O-CB 3.31Å; C276-V280 WeakPolarHBondContact O-CB 3.22Å; C276-V280 WeakPolarHBondContact O-CG2 3.36Å; C276-V280 PolarHBondContact O-N 3.24Å
277	P	58.5	Low	57.8	Low	88 Å²	88	99.4 Å²	99.4	57%	0.571	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-30.3	177.5	24	-31.9	0	0	0	112.6	C273 K274 F281	C273-P277 WeakPolarHBondContact O-CD 3.28Å; K274-P277 WeakPolarHBondContact O-CD 3.41Å; P277-F281 VanDerWaalsContact O-CB 3.24Å; P277-F281 WeakPolarHBondContact O-CB 3.46Å; P277-F281 PolarHBondContact O-N 3.15Å
278	F	60.4	Low	57.6	Low	132 Å²	132	105.1 Å²	105.1	58%	0.579	56%	0.555	S	S	*	*	H	α-helix	trans	-77.2	-40.6	-179.6	-159.5	-101.9	0	0	0	112.6	L275 C276 F281 L282	L275-F278 PolarHBondContact O-N 3.28Å; C276-F278 VanDerWaalsContact C-N 3.29Å; C276-F278 PolarHBondContact O-N 3.13Å; F278-F281 PolarHBondContact O-N 3.47Å; F278-L282 HydrophobicContact CD1-CD1 3.59Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE1-CG 4.39Å; F278-L282 HydrophobicContact CZ-CD1 4.42Å; F278-L282 PolarHBondContact O-N 3.07Å
279	Q	58.7	Low	57.8	Low	112 Å²	112	106.8 Å²	106.8	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-38.2	175.5	-144.3	89.4	-3.8	0	0	111	L275 R283	L275-Q279 WeakPolarHBondContact O-CB 3.44Å; L275-Q279 PolarHBondContact O-N 3.18Å; Q279-R283 WeakPolarHBondContact O-CB 3.43Å; Q279-R283 PolarHBondContact O-N 3.48Å
280	V	62.4	Low	57.9	Low	91 Å²	91	106.9 Å²	106.9	55%	0.552	56%	0.557	S	S	*	*	H	α-helix	trans	-66.7	-38.6	173.5	172.4	0	0	0	0	110.8	C276 R283 C284	C276-V280 VanDerWaalsContact O-CB 3.31Å; C276-V280 WeakPolarHBondContact O-CB 3.22Å; C276-V280 WeakPolarHBondContact O-CG2 3.36Å; C276-V280 PolarHBondContact O-N 3.24Å; V280-R283 PolarHBondContact O-N 3.19Å; V280-C284 WeakPolarHBondContact O-CB 3.48Å; V280-C284 PolarHBondContact O-N 3.14Å
281	F	63.7	Low	57.8	Low	121 Å²	121	105.3 Å²	105.3	53%	0.531	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-43.1	175.7	-169.8	-97.1	0	0	0	112.8	P277 F278 C284 Q285	P277-F281 VanDerWaalsContact O-CB 3.24Å; P277-F281 WeakPolarHBondContact O-CB 3.46Å; P277-F281 PolarHBondContact O-N 3.15Å; F278-F281 PolarHBondContact O-N 3.47Å; F281-C284 PolarHBondContact O-N 3.3Å; F281-Q285 HydrophobicContact CD1-CG 4.26Å; F281-Q285 HydrophobicContact CE1-CG 4.02Å; F281-Q285 HydrophobicContact CZ-CG 4.48Å; F281-Q285 WeakPolarHBondContact O-CG 3.35Å; F281-Q285 PolarHBondContact O-N 3.14Å
282	L	60.8	Low	57.7	Low	91 Å²	91	106.9 Å²	106.9	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-39.4	174.6	-84.8	156.4	0	0	0	112.3	F278 Q285 S286	F278-L282 HydrophobicContact CD1-CD1 3.59Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE1-CG 4.39Å; F278-L282 HydrophobicContact CZ-CD1 4.42Å; F278-L282 PolarHBondContact O-N 3.07Å; L282-Q285 PolarHBondContact O-N 3.44Å; L282-S286 PolarHBondContact O-N 3.44Å; L282-S286 VanDerWaalsContact O-N 3.07Å
283	R	59.9	Low	57.7	Low	192 Å²	192	110.6 Å²	110.6	73%	0.725	58%	0.575	S	S	*	*	H	α-helix	trans	-69.9	-35	175.9	-132.1	157.4	-180	177.1	-2.5	111.9	Q279 V280 I287	Q279-R283 WeakPolarHBondContact O-CB 3.43Å; Q279-R283 PolarHBondContact O-N 3.48Å; V280-R283 PolarHBondContact O-N 3.19Å; R283-I287 WeakPolarHBondContact O-CB 3.36Å; R283-I287 WeakPolarHBondContact O-CD1 3.44Å; R283-I287 WeakPolarHBondContact O-CG1 3.14Å; R283-I287 PolarHBondContact O-N 3.32Å
284	C	58.6	Low	57.8	Low	79 Å²	79	108.1 Å²	108.1	53%	0.534	56%	0.564	S	S	.	*	H	α-helix	trans	-67.4	-38	172.8	-109.2	0	0	0	0	113.2	V280 F281 R288	V280-C284 WeakPolarHBondContact O-CB 3.48Å; V280-C284 PolarHBondContact O-N 3.14Å; F281-C284 PolarHBondContact O-N 3.3Å; C284-R288 PolarHBondContact O-N 3.43Å; C284-R288 VanDerWaalsContact O-N 3.14Å
285	Q	57.3	Low	57.9	Low	105 Å²	105	104.1 Å²	104.1	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-46.4	174.5	-78.7	-96.9	-0.3	0	0	111.3	F281 L282 I287 R288 V289	F281-Q285 HydrophobicContact CD1-CG 4.26Å; F281-Q285 HydrophobicContact CE1-CG 4.02Å; F281-Q285 HydrophobicContact CZ-CG 4.48Å; F281-Q285 WeakPolarHBondContact O-CG 3.35Å; F281-Q285 PolarHBondContact O-N 3.14Å; L282-Q285 PolarHBondContact O-N 3.44Å; Q285-I287 PolarHBondContact O-N 2.9Å; Q285-R288 PolarHBondContact O-N 2.93Å; Q285-V289 WeakPolarHBondContact O-CG2 3.31Å; Q285-V289 PolarHBondContact O-N 3.31Å; Q285-V289 VanDerWaalsContact O-N 3.14Å
286	S	57.8	Low	57.9	Low	78 Å²	78	104.1 Å²	104.1	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-36.1	176.4	-78.2	0	0	0	0	113.2	L282 V289 V290	L282-S286 PolarHBondContact O-N 3.44Å; L282-S286 VanDerWaalsContact O-N 3.07Å; S286-V289 PolarHBondContact O-N 2.94Å; S286-V290 VanDerWaalsContact O-CG2 3.31Å; S286-V290 WeakPolarHBondContact O-CG2 3.46Å; S286-V290 PolarHBondContact O-N 2.81Å; S286-V290 VanDerWaalsContact O-N 3.08Å
287	I	57.8	Low	57.9	Low	115 Å²	115	104.9 Å²	104.9	59%	0.59	56%	0.562	S	S	*	*	H	α-helix	trans	-68	-37.1	177.3	-70.6	163.3	0	0	0	111.6	R283 Q285 S291	R283-I287 WeakPolarHBondContact O-CB 3.36Å; R283-I287 WeakPolarHBondContact O-CD1 3.44Å; R283-I287 WeakPolarHBondContact O-CG1 3.14Å; R283-I287 PolarHBondContact O-N 3.32Å; Q285-I287 PolarHBondContact O-N 2.9Å; I287-S291 WeakPolarHBondContact O-CB 3.24Å; I287-S291 PolarHBondContact O-N 3.37Å
288	R	55.7	Low	57.7	Low	200 Å²	200	106.4 Å²	106.4	76%	0.755	56%	0.564	S	S	*	*	H	α-helix	trans	-67	-37.5	175	-97.4	-176.9	163.7	163.4	-3.4	112.9	C284 Q285 L292	C284-R288 PolarHBondContact O-N 3.43Å; C284-R288 VanDerWaalsContact O-N 3.14Å; Q285-R288 PolarHBondContact O-N 2.93Å; R288-L292 PolarHBondContact O-N 3.07Å
289	V	57.9	Low	57.5	Low	79 Å²	79	108.7 Å²	108.7	48%	0.479	57%	0.574	S	S	.	*	H	α-helix	trans	-70.1	-38.9	178.3	175.3	0	0	0	0	111.4	Q285 S286 L292 L293	Q285-V289 WeakPolarHBondContact O-CG2 3.31Å; Q285-V289 PolarHBondContact O-N 3.31Å; Q285-V289 VanDerWaalsContact O-N 3.14Å; S286-V289 PolarHBondContact O-N 2.94Å; V289-L292 PolarHBondContact O-N 2.99Å; V289-L293 HydrophobicContact CG1-CD1 3.92Å; V289-L293 PolarHBondContact O-N 3.04Å; V289-L293 VanDerWaalsContact O-N 3.15Å
290	V	58.5	Low	57.2	Low	104 Å²	104	110.1 Å²	110.1	63%	0.63	58%	0.584	S	S	*	*	H	α-helix	trans	-70.5	-35.3	177.2	175.8	0	0	0	0	112	S286 G294	S286-V290 VanDerWaalsContact O-CG2 3.31Å; S286-V290 WeakPolarHBondContact O-CG2 3.46Å; S286-V290 PolarHBondContact O-N 2.81Å; S286-V290 VanDerWaalsContact O-N 3.08Å; V290-G294 PolarHBondContact O-N 2.86Å
291	S	55.1	Low	56.4	Low	76 Å²	76	112.5 Å²	112.5	53%	0.531	59%	0.594	S	S	.	*	H	α-helix	trans	-69.5	-33.1	175.9	179.7	0	0	0	0	113.3	I287 C295	I287-S291 WeakPolarHBondContact O-CB 3.24Å; I287-S291 PolarHBondContact O-N 3.37Å; S291-C295 PolarHBondContact O-N 3.3Å
292	L	55.2	Low	55.6	Low	125 Å²	125	115.5 Å²	115.5	65%	0.654	62%	0.622	S	S	*	*	H	α-helix	trans	-74.5	-37.4	176.3	-89.6	153.6	0	0	0	112.3	R288 V289 V296	R288-L292 PolarHBondContact O-N 3.07Å; V289-L292 PolarHBondContact O-N 2.99Å; L292-V296 WeakPolarHBondContact O-CG2 3.15Å; L292-V296 PolarHBondContact O-N 3.08Å
293	L	56.1	Low	55.4	Low	115 Å²	115	116.8 Å²	116.8	60%	0.602	63%	0.629	S	S	*	*	H	α-helix	trans	-71.4	-34	175.2	-81.3	156.1	0	0	0	112.5	V289 V297	V289-L293 HydrophobicContact CG1-CD1 3.92Å; V289-L293 PolarHBondContact O-N 3.04Å; V289-L293 VanDerWaalsContact O-N 3.15Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 3.46Å
294	G	56.3	Low	55.1	Low	36 Å²	36	112.8 Å²	112.8	37%	0.371	62%	0.624	S	S	.	*	H	α-helix	trans	-66	-38.4	174.9	0	0	0	0	0	113.9	V290 I298	V290-G294 PolarHBondContact O-N 2.86Å; G294-I298 WeakPolarHBondContact O-CG1 3.01Å; G294-I298 PolarHBondContact O-N 3.47Å
295	C	55.7	Low	54.9	Low	81 Å²	81	114.7 Å²	114.7	55%	0.547	63%	0.629	S	S	.	*	H	α-helix	trans	-72.4	-28.7	178.6	-76.5	0	0	0	0	113.6	S291 F299	S291-C295 PolarHBondContact O-N 3.3Å; C295-F299 PolarHBondContact O-N 2.97Å
296	V	54.9	Low	54.8	Low	87 Å²	87	115.2 Å²	115.2	53%	0.527	64%	0.637	S	S	.	*	H	α-helix	trans	-73.7	-31.6	177.4	174.4	0	0	0	0	111.7	L292 L300	L292-V296 WeakPolarHBondContact O-CG2 3.15Å; L292-V296 PolarHBondContact O-N 3.08Å; V296-L300 HydrophobicContact CG1-CD1 4.33Å
297	V	55.3	Low	54.6	Low	96 Å²	96	117.6 Å²	117.6	58%	0.582	64%	0.643	S	S	*	*	H	α-helix	trans	-76.4	-26.4	178.8	177.1	0	0	0	0	112.5	L293	L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 3.46Å
298	I	54.5	Low	54.4	Low	119 Å²	119	117.7 Å²	117.7	61%	0.61	65%	0.646	S	S	*	*	H	α-helix	trans	-77.3	-29.1	177	-65.5	171.3	0	0	0	111.8	G294	G294-I298 WeakPolarHBondContact O-CG1 3.01Å; G294-I298 PolarHBondContact O-N 3.47Å
299	F	55.2	Low	54.3	Low	181 Å²	181	111.9 Å²	111.9	79%	0.794	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-8	178.9	-107.9	-84.7	0	0	0	115	C295	C295-F299 PolarHBondContact O-N 2.97Å
300	L	52.8	Low	54	Low	141 Å²	141	114.4 Å²	114.4	74%	0.738	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	1.4	177.6	-99.6	133.1	0	0	0	113.6	V296	V296-L300 HydrophobicContact CG1-CD1 4.33Å
301	N	46.3	Very low	53.6	Low	141 Å²	141	115.3 Å²	115.3	75%	0.754	65%	0.653	S	S	*	*			trans	-124.3	22	-178	-105.2	-44.8	0	0	0	113.9
302	V	46.2	Very low	53.5	Low	185 Å²	185	118.8 Å²	118.8	100%	1.121	66%	0.664	S	S	*	*			trans	-130.8	0	167.6	-179.8	0	0	0	0	107.9

Retrieved 302 of 302 residues in 147.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).