A0A3Q0KD32_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A3Q0KD32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	62	Low	228 Å²	228	131.6 Å²	131.6	100%	1.123	71%	0.705	S	S	*	*				0	81.9	0	-83.6	-175.2	-179.2	0	0	109	K3	M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.31Å; M1-K3 VanDerWaalsContact O-N 3.1Å
2	T	46.4	Very low	62.3	Low	151 Å²	151	127.3 Å²	127.3	93%	0.926	70%	0.7	S	S	*	*			trans	-75.3	89.7	164.4	24.9	0	0	0	0	106.6	D4	T2-D4 PolarHBondContact O-N 3.16Å
3	K	56.4	Low	62	Low	172 Å²	172	127.7 Å²	127.7	75%	0.748	69%	0.694	S	S	*	*			trans	-60	123.6	-179.9	-85.9	177.4	172.4	174.9	0	108.9	M1 L5	M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.31Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-L5 PolarHBondContact O-N 3.48Å
4	D	61.5	Low	61.5	Low	104 Å²	104	125.2 Å²	125.2	56%	0.556	69%	0.688	S	S	*	*			trans	-52.1	94.2	172.1	-175.9	19.5	0	0	0	110.3	T2 S7	T2-D4 PolarHBondContact O-N 3.16Å; D4-S7 VanDerWaalsContact CG-OG 3.32Å; D4-S7 PolarHBondContact O-OG 3.14Å; D4-S7 VanDerWaalsContact O-OG 3.13Å; D4-S7 PolarHBondContact OD2-OG 3.08Å
5	L	65.3	Low	61.3	Low	119 Å²	119	129.8 Å²	129.8	62%	0.623	70%	0.702	S	S	*	*	H	α-helix	trans	-75.6	-17.3	-179.3	-123.1	91.9	0	0	0	111.6	K3 A8 L9	K3-L5 PolarHBondContact O-N 3.48Å; L5-A8 PolarHBondContact O-N 3.22Å; L5-L9 WeakPolarHBondContact O-CB 3.07Å; L5-L9 PolarHBondContact O-N 3.18Å
6	I	67.9	Low	60.9	Low	130 Å²	130	131.1 Å²	131.1	67%	0.667	71%	0.709	S	S	*	*	H	α-helix	trans	-69.5	-41.6	-174.7	-65	-178.4	0	0	0	110.2	L9 R10	I6-L9 PolarHBondContact O-N 3.01Å; I6-R10 PolarHBondContact O-N 3.45Å
7	S	70.5	Confident	60.5	Low	66 Å²	66	125.2 Å²	125.2	46%	0.462	68%	0.683	S	S	.	*	H	α-helix	trans	-66	-37.8	175.7	37.5	0	0	0	0	112.2	D4 R10 A11	D4-S7 VanDerWaalsContact CG-OG 3.32Å; D4-S7 PolarHBondContact O-OG 3.14Å; D4-S7 VanDerWaalsContact O-OG 3.13Å; D4-S7 PolarHBondContact OD2-OG 3.08Å; S7-R10 PolarHBondContact O-N 3.35Å; S7-A11 PolarHBondContact O-N 3.41Å
8	A	70.8	Confident	60.1	Low	61 Å²	61	123.8 Å²	123.8	50%	0.504	68%	0.683	S	S	.	*	H	α-helix	trans	-67.3	-38.6	174.5	0	0	0	0	0	112.9	L5 A11 A12	L5-A8 PolarHBondContact O-N 3.22Å; A8-A11 PolarHBondContact O-N 3.06Å; A8-A12 WeakPolarHBondContact O-CB 3.05Å; A8-A12 PolarHBondContact O-N 2.64Å
9	L	65	Low	59.9	Low	116 Å²	116	125.4 Å²	125.4	61%	0.607	69%	0.691	S	S	*	*	H	α-helix	trans	-65.1	-38.5	175	-92.9	157	0	0	0	112.2	L5 I6 A12	L5-L9 WeakPolarHBondContact O-CB 3.07Å; L5-L9 PolarHBondContact O-N 3.18Å; I6-L9 PolarHBondContact O-N 3.01Å; L9-A12 PolarHBondContact O-N 3.29Å
10	R	67.6	Low	59.6	Low	212 Å²	212	125.6 Å²	125.6	80%	0.8	69%	0.69	S	S	*	*	H	α-helix	trans	-68	-35.7	178.2	-156.2	176.7	-156.5	167.3	6.2	112.6	I6 S7 A12	I6-R10 PolarHBondContact O-N 3.45Å; S7-R10 PolarHBondContact O-N 3.35Å; R10-A12 VanDerWaalsContact C-N 3.33Å
11	A	69.5	Low	59	Low	89 Å²	89	124.5 Å²	124.5	74%	0.736	69%	0.689	S	S	*	*	H	α-helix	trans	-75.6	-19.3	177.8	0	0	0	0	0	113.8	S7 A8	S7-A11 PolarHBondContact O-N 3.41Å; A8-A11 PolarHBondContact O-N 3.06Å
12	A	65.2	Low	59.1	Low	79 Å²	79	120.6 Å²	120.6	65%	0.653	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-0.3	-178.7	0	0	0	0	0	113.9	A8 L9 R10	A8-A12 WeakPolarHBondContact O-CB 3.05Å; A8-A12 PolarHBondContact O-N 2.64Å; L9-A12 PolarHBondContact O-N 3.29Å; R10-A12 VanDerWaalsContact C-N 3.33Å
13	Q	57.7	Low	58.9	Low	133 Å²	133	118.8 Å²	118.8	62%	0.621	66%	0.662	S	S	*	*	S	Bend	trans	-72.4	125.9	173.6	-79.7	-156.6	-54.2	0	0	110.2
14	P	55.7	Low	58.2	Low	93 Å²	93	114.6 Å²	114.6	60%	0.604	65%	0.654	S	S	*	*			trans	-62.5	139.2	171.9	-5	16.6	0	0	0	109.6	D16 A17	P14-D16 PolarHBondContact O-N 3.35Å; P14-A17 WeakPolarHBondContact O-CB 3.24Å; P14-A17 PolarHBondContact O-N 2.99Å; P14-A17 VanDerWaalsContact O-N 3.07Å
15	E	58.3	Low	57.6	Low	194 Å²	194	116 Å²	116	91%	0.907	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-59.3	-15.2	178.3	-64.7	-144.8	150.5	0	0	113.6	A17	E15-A17 VanDerWaalsContact C-N 3.27Å; E15-A17 PolarHBondContact O-N 3.08Å
16	D	54.8	Low	56.5	Low	150 Å²	150	116.4 Å²	116.4	80%	0.802	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-82.6	11.4	175.2	-67.3	-30.6	0	0	0	114.4	P14 S18	P14-D16 PolarHBondContact O-N 3.35Å; D16-S18 PolarHBondContact O-N 3.39Å
17	A	54.9	Low	55.4	Low	32 Å²	32	116.5 Å²	116.5	26%	0.264	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-78.7	2.6	177.8	0	0	0	0	0	114.2	P14 E15 D19 L20	P14-A17 WeakPolarHBondContact O-CB 3.24Å; P14-A17 PolarHBondContact O-N 2.99Å; P14-A17 VanDerWaalsContact O-N 3.07Å; E15-A17 VanDerWaalsContact C-N 3.27Å; E15-A17 PolarHBondContact O-N 3.08Å; A17-D19 PolarHBondContact O-N 2.92Å; A17-L20 HydrophobicContact CB-CD1 4.36Å; A17-L20 PolarHBondContact O-N 3.15Å
18	S	53.3	Low	54.1	Low	100 Å²	100	117.5 Å²	117.5	70%	0.699	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-69.6	-10.8	-178.2	58.3	0	0	0	0	115.2	D16	D16-S18 PolarHBondContact O-N 3.39Å
19	D	54.8	Low	53.2	Low	154 Å²	154	117.7 Å²	117.7	82%	0.824	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-103.4	8.4	-178.4	-83.1	-15.2	0	0	0	114.2	A17	A17-D19 PolarHBondContact O-N 2.92Å
20	L	54.3	Low	52.8	Low	128 Å²	128	115.8 Å²	115.8	67%	0.67	68%	0.676	S	S	*	*	S	Bend	trans	-79.1	127.3	168.3	-75.6	150.4	0	0	0	108.2	A17 D22	A17-L20 HydrophobicContact CB-CD1 4.36Å; A17-L20 PolarHBondContact O-N 3.15Å; L20-D22 PolarHBondContact O-N 3.07Å
21	P	47.7	Very low	52.9	Low	103 Å²	103	112.2 Å²	112.2	67%	0.669	67%	0.668	S	S	*	*			trans	-55.9	122.4	173.2	23.6	-30.7	0	0	0	107	T23	P21-T23 PolarHBondContact O-N 3.41Å; P21-T23 PolarHBondContact O-OG1 3.48Å
22	D	42.9	Very low	53.2	Low	147 Å²	147	112 Å²	112	79%	0.786	65%	0.649	S	S	*	*			trans	-59.6	87.6	178.7	-158.3	2	0	0	0	107.3	L20 S24	L20-D22 PolarHBondContact O-N 3.07Å; D22-S24 PolarHBondContact O-N 3.01Å
23	T	43.1	Very low	54	Low	113 Å²	113	109.2 Å²	109.2	69%	0.693	62%	0.623	S	S	*	*			trans	-84.4	57.2	177.3	-39.8	0	0	0	0	105.7	P21 L25	P21-T23 PolarHBondContact O-N 3.41Å; P21-T23 PolarHBondContact O-OG1 3.48Å; T23-L25 PolarHBondContact O-N 3.2Å
24	S	40.4	Very low	55.5	Low	83 Å²	83	106.8 Å²	106.8	58%	0.58	61%	0.614	S	S	*	*			trans	-62.2	95	159.9	59.7	0	0	0	0	105.1	D22 P26	D22-S24 PolarHBondContact O-N 3.01Å; S24-P26 VanDerWaalsContact O-CD 3.27Å; S24-P26 WeakPolarHBondContact O-CD 3.31Å; S24-P26 VanDerWaalsContact O-N 3.12Å
25	L	50.1	Low	57.1	Low	133 Å²	133	107.8 Å²	107.8	70%	0.696	61%	0.614	S	S	*	*			trans	-49.7	120.5	156.9	-83.5	129	0	0	0	105.1	T23 L27	T23-L25 PolarHBondContact O-N 3.2Å; L25-L27 HydrophobicContact CB-CG 4.35Å; L25-L27 PolarHBondContact O-N 2.91Å
26	P	41	Very low	58.6	Low	129 Å²	129	98.7 Å²	98.7	84%	0.838	57%	0.572	S	S	*	*			trans	-72.2	72.6	172.1	26.6	-23.8	0	0	0	107.1	S24 D28	S24-P26 VanDerWaalsContact O-CD 3.27Å; S24-P26 WeakPolarHBondContact O-CD 3.31Å; S24-P26 VanDerWaalsContact O-N 3.12Å; P26-D28 PolarHBondContact O-N 3.4Å; P26-D28 VanDerWaalsContact O-N 3.07Å
27	L	45.6	Very low	60.4	Low	132 Å²	132	95.2 Å²	95.2	69%	0.691	55%	0.55	S	S	*	.			trans	-75.3	78	155.7	-71.5	166.1	0	0	0	104.7	L25 G29	L25-L27 HydrophobicContact CB-CG 4.35Å; L25-L27 PolarHBondContact O-N 2.91Å; L27-G29 PolarHBondContact O-N 3.34Å
28	D	43.9	Very low	62.3	Low	87 Å²	87	97 Å²	97	47%	0.465	56%	0.561	S	S	.	*			trans	-64.9	82.7	151.3	-174.6	4.6	0	0	0	105.6	P26 S30 Q31	P26-D28 PolarHBondContact O-N 3.4Å; P26-D28 VanDerWaalsContact O-N 3.07Å; D28-S30 PolarHBondContact O-N 3.01Å; D28-S30 WeakPolarHBondContact OD1-CB 3.31Å; D28-S30 PolarHBondContact OD1-N 3.45Å; D28-S30 PolarHBondContact OD1-OG 3.36Å; D28-Q31 PolarHBondContact O-N 2.87Å
29	G	51.3	Low	64.2	Low	64 Å²	64	93.9 Å²	93.9	66%	0.66	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-8.9	-175.3	0	0	0	0	0	112.9	L27	L27-G29 PolarHBondContact O-N 3.34Å
30	S	55.9	Low	66.1	Low	76 Å²	76	86.6 Å²	86.6	53%	0.531	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.6	173.4	79.8	0	0	0	0	114.6	D28 N34	D28-S30 PolarHBondContact O-N 3.01Å; D28-S30 WeakPolarHBondContact OD1-CB 3.31Å; D28-S30 PolarHBondContact OD1-N 3.45Å; D28-S30 PolarHBondContact OD1-OG 3.36Å; S30-N34 PolarHBondContact O-ND2 3.09Å; S30-N34 PolarHBondContact O-OD1 3.14Å
31	Q	69.7	Low	68	Low	137 Å²	137	86.2 Å²	86.2	64%	0.64	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-10.4	-176.4	-80.4	-175.1	35.6	0	0	115.4	D28 M33 N34	D28-Q31 PolarHBondContact O-N 2.87Å; Q31-M33 PolarHBondContact O-N 3.19Å; Q31-N34 PolarHBondContact O-N 3.04Å
32	Y	75.9	Confident	70.3	Confident	84 Å²	84	84.1 Å²	84.1	33%	0.329	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	114.3	-175	177.7	-104.9	0	0	0	111.7	N34 D115 I118	Y32-N34 PolarHBondContact O-N 2.56Å; Y32-D115 WeakPolarHBondContact CE2-OD1 3.28Å; Y32-D115 VanDerWaalsContact CZ-OD1 3.25Å; Y32-D115 PolarHBondContact OH-OD1 3.25Å; Y32-I118 HydrophobicContact CE1-CD1 4.14Å; Y32-I118 WeakPolarHBondContact OH-CD1 3.25Å
33	M	82.8	Confident	72.9	Confident	21 Å²	21	77.1 Å²	77.1	10%	0.103	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.2	174.9	-67	-76.2	-76.4	0	0	115.1	Q31 D35 F36 F37 D115 R119	Q31-M33 PolarHBondContact O-N 3.19Å; M33-D35 PolarHBondContact O-N 3.39Å; M33-F36 HydrophobicContact CE-CB 3.9Å; M33-F36 HydrophobicContact CE-CD1 3.55Å; M33-F36 HydrophobicContact CE-CE1 4.27Å; M33-F36 HydrophobicContact CE-CG 3.75Å; M33-F36 WeakPolarHBondContact O-CB 3.45Å; M33-F36 PolarHBondContact O-N 3.35Å; M33-F36 VanDerWaalsContact O-N 3.07Å; M33-F36 HydrophobicContact SD-CB 4.45Å; M33-F37 HydrophobicContact CB-CD2 3.78Å; M33-F37 HydrophobicContact CB-CE2 3.5Å; M33-F37 VanDerWaalsContact CB-CE2 3.5Å; M33-F37 HydrophobicContact CB-CZ 4.25Å; M33-F37 VanDerWaalsContact O-CD2 3.23Å; M33-F37 WeakPolarHBondContact O-CD2 3.23Å; M33-F37 PolarHBondContact O-N 2.89Å; M33-D115 HydrophobicContact CE-CB 4.24Å; M33-D115 HydrophobicContact SD-CB 4.03Å; M33-R119 HydrophobicContact CE-CG 3.66Å; M33-R119 PolarHBondContact SD-NH2 3.39Å
34	N	88.3	Confident	75.4	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-54.8	-46.3	-175.9	-82.3	2.9	0	0	0	113.9	S30 Q31 Y32 F36 F37 S38	S30-N34 PolarHBondContact O-ND2 3.09Å; S30-N34 PolarHBondContact O-OD1 3.14Å; Q31-N34 PolarHBondContact O-N 3.04Å; Y32-N34 PolarHBondContact O-N 2.56Å; N34-F36 VanDerWaalsContact C-N 3.29Å; N34-F36 PolarHBondContact O-N 3.03Å; N34-F37 PolarHBondContact O-N 3.01Å; N34-S38 WeakPolarHBondContact O-CB 3.32Å; N34-S38 PolarHBondContact O-N 3.02Å
35	D	88.8	Confident	78.2	Confident	114 Å²	114	76.1 Å²	76.1	61%	0.61	41%	0.411	S	S	*	.	H	α-helix	trans	-61.2	-42.2	179.3	178.1	66.3	0	0	0	111	M33 S38 Q39	M33-D35 PolarHBondContact O-N 3.39Å; D35-S38 PolarHBondContact O-N 2.76Å; D35-Q39 WeakPolarHBondContact O-CG 3.41Å; D35-Q39 PolarHBondContact O-N 2.91Å; D35-Q39 PolarHBondContact OD2-NE2 2.82Å
36	F	91	Very high	80.4	Confident	3 Å²	3	70.8 Å²	70.8	1%	0.013	38%	0.384	C	S	.	.	H	α-helix	trans	-64.3	-46.2	176.3	174.1	-102.8	0	0	0	112.1	M33 N34 S38 Q39 V40 M99 I118 R119 Q122	M33-F36 HydrophobicContact CE-CB 3.9Å; M33-F36 HydrophobicContact CE-CD1 3.55Å; M33-F36 HydrophobicContact CE-CE1 4.27Å; M33-F36 HydrophobicContact CE-CG 3.75Å; M33-F36 WeakPolarHBondContact O-CB 3.45Å; M33-F36 PolarHBondContact O-N 3.35Å; M33-F36 VanDerWaalsContact O-N 3.07Å; M33-F36 HydrophobicContact SD-CB 4.45Å; N34-F36 VanDerWaalsContact C-N 3.29Å; N34-F36 PolarHBondContact O-N 3.03Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 3.29Å; F36-Q39 PolarHBondContact O-N 3.36Å; F36-V40 HydrophobicContact CD1-CG2 4.28Å; F36-V40 HydrophobicContact CD2-CG2 4.47Å; F36-V40 HydrophobicContact CE1-CG2 3.73Å; F36-V40 HydrophobicContact CE2-CG2 3.95Å; F36-V40 HydrophobicContact CZ-CG2 3.51Å; F36-V40 WeakPolarHBondContact O-CG2 3.42Å; F36-V40 PolarHBondContact O-N 3.02Å; F36-M99 HydrophobicContact CD2-CE 4.4Å; F36-M99 HydrophobicContact CE2-CE 3.65Å; F36-M99 HydrophobicContact CE2-CG 4.1Å; F36-M99 HydrophobicContact CE2-SD 3.79Å; F36-M99 HydrophobicContact CZ-CE 4.26Å; F36-M99 HydrophobicContact CZ-SD 4.17Å; F36-I118 HydrophobicContact CE1-CG2 4.07Å; F36-R119 HydrophobicContact CD1-CG 4.39Å; F36-R119 HydrophobicContact CD2-CG 3.99Å; F36-R119 HydrophobicContact CE1-CG 4.18Å; F36-R119 HydrophobicContact CE2-CB 4.13Å; F36-R119 HydrophobicContact CE2-CG 3.75Å; F36-R119 HydrophobicContact CG-CG 4.29Å; F36-R119 HydrophobicContact CZ-CB 4.06Å; F36-R119 HydrophobicContact CZ-CG 3.88Å; F36-Q122 HydrophobicContact CE1-CB 4.04Å; F36-Q122 HydrophobicContact CE1-CG 3.92Å; F36-Q122 HydrophobicContact CZ-CB 3.74Å; F36-Q122 HydrophobicContact CZ-CG 4.16Å
37	F	93.1	Very high	83.1	Confident	76 Å²	76	64.8 Å²	64.8	33%	0.333	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-36.1	177.9	-69.9	-54.9	0	0	0	112.2	M33 N34 V40 E41 I118	M33-F37 HydrophobicContact CB-CD2 3.78Å; M33-F37 HydrophobicContact CB-CE2 3.5Å; M33-F37 VanDerWaalsContact CB-CE2 3.5Å; M33-F37 HydrophobicContact CB-CZ 4.25Å; M33-F37 VanDerWaalsContact O-CD2 3.23Å; M33-F37 WeakPolarHBondContact O-CD2 3.23Å; M33-F37 PolarHBondContact O-N 2.89Å; N34-F37 PolarHBondContact O-N 3.01Å; F37-V40 WeakPolarHBondContact O-CB 3.3Å; F37-V40 PolarHBondContact O-N 3.23Å; F37-E41 WeakPolarHBondContact O-CB 3.21Å; F37-E41 PolarHBondContact O-N 3.21Å; F37-I118 HydrophobicContact CE1-CG2 3.92Å; F37-I118 HydrophobicContact CZ-CG2 3.94Å
38	S	93.2	Very high	85.6	Confident	71 Å²	71	64.4 Å²	64.4	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-41.7	172.9	-174.9	0	0	0	0	111.7	N34 D35 F36 E41 E42	N34-S38 WeakPolarHBondContact O-CB 3.32Å; N34-S38 PolarHBondContact O-N 3.02Å; D35-S38 PolarHBondContact O-N 2.76Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 3.29Å; S38-E41 PolarHBondContact O-N 3.05Å; S38-E42 WeakPolarHBondContact O-CB 3.47Å; S38-E42 PolarHBondContact O-N 2.73Å
39	Q	93.2	Very high	88.2	Confident	33 Å²	33	65.5 Å²	65.5	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-42.2	174.3	-71.2	179.4	54	0	0	111.6	D35 F36 E42 I43	D35-Q39 WeakPolarHBondContact O-CG 3.41Å; D35-Q39 PolarHBondContact O-N 2.91Å; D35-Q39 PolarHBondContact OD2-NE2 2.82Å; F36-Q39 PolarHBondContact O-N 3.36Å; Q39-E42 PolarHBondContact O-N 3.03Å; Q39-I43 VanDerWaalsContact O-CG1 3.26Å; Q39-I43 WeakPolarHBondContact O-CG1 3.5Å; Q39-I43 PolarHBondContact O-N 3.44Å
40	V	94.9	Very high	90.3	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-46.1	175.9	160.6	0	0	0	0	111.4	F36 F37 I43 R44 M99 Q122 I126	F36-V40 HydrophobicContact CD1-CG2 4.28Å; F36-V40 HydrophobicContact CD2-CG2 4.47Å; F36-V40 HydrophobicContact CE1-CG2 3.73Å; F36-V40 HydrophobicContact CE2-CG2 3.95Å; F36-V40 HydrophobicContact CZ-CG2 3.51Å; F36-V40 WeakPolarHBondContact O-CG2 3.42Å; F36-V40 PolarHBondContact O-N 3.02Å; F37-V40 WeakPolarHBondContact O-CB 3.3Å; F37-V40 PolarHBondContact O-N 3.23Å; V40-I43 PolarHBondContact O-N 3.42Å; V40-R44 VanDerWaalsContact CG1-NH1 3.26Å; V40-R44 WeakPolarHBondContact O-CG 3.5Å; V40-R44 PolarHBondContact O-N 3.21Å; V40-M99 HydrophobicContact CG2-CE 3.78Å; V40-Q122 HydrophobicContact CG2-CB 4.12Å; V40-I126 HydrophobicContact CB-CD1 4.09Å; V40-I126 HydrophobicContact CG1-CD1 3.67Å; V40-I126 HydrophobicContact CG2-CD1 3.85Å
41	E	95.6	Very high	92.3	Very high	120 Å²	120	61.5 Å²	61.5	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-41.8	177.9	-172.6	175.3	-177.8	0	0	111.4	F37 S38 I43 R44 N45	F37-E41 WeakPolarHBondContact O-CB 3.21Å; F37-E41 PolarHBondContact O-N 3.21Å; S38-E41 PolarHBondContact O-N 3.05Å; E41-I43 VanDerWaalsContact C-N 3.35Å; E41-I43 PolarHBondContact O-N 2.8Å; E41-R44 PolarHBondContact O-N 2.54Å; E41-N45 WeakPolarHBondContact O-CB 3.25Å; E41-N45 VanDerWaalsContact O-CG 3.26Å; E41-N45 PolarHBondContact O-N 3.42Å; E41-N45 PolarHBondContact O-ND2 2.6Å
42	E	96.1	Very high	93.7	Very high	59 Å²	59	58.1 Å²	58.1	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-46	173.8	-169	-168.6	166.3	0	0	111.6	S38 Q39 N45 L46 R91 K95	S38-E42 WeakPolarHBondContact O-CB 3.47Å; S38-E42 PolarHBondContact O-N 2.73Å; Q39-E42 PolarHBondContact O-N 3.03Å; E42-N45 PolarHBondContact O-N 3.14Å; E42-L46 VanDerWaalsContact O-CG 3.27Å; E42-L46 WeakPolarHBondContact O-CG 3.46Å; E42-L46 PolarHBondContact O-N 3.15Å; E42-R91 IonicContact OE1-CZ 2.9Å; E42-R91 IonicContact OE1-NE 2.73Å; E42-R91 IonicContact OE1-NH2 3.84Å; E42-R91 PolarHBondContact OE1-NH2 2.76Å; E42-K95 WeakPolarHBondContact OE1-CE 3.42Å; E42-K95 IonicContact OE1-NZ 2.78Å; E42-K95 PolarHBondContact OE1-NZ 3.13Å; E42-K95 WeakPolarHBondContact OE2-CE 3.33Å; E42-K95 IonicContact OE2-NZ 2.81Å; E42-K95 PolarHBondContact OE2-NZ 3.5Å
43	I	96.4	Very high	94.7	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-41.5	178.7	-59.7	161.7	0	0	0	110.9	Q39 V40 E41 L46 I47 V92 K95 M99 I126	Q39-I43 VanDerWaalsContact O-CG1 3.26Å; Q39-I43 WeakPolarHBondContact O-CG1 3.5Å; Q39-I43 PolarHBondContact O-N 3.44Å; V40-I43 PolarHBondContact O-N 3.42Å; E41-I43 VanDerWaalsContact C-N 3.35Å; E41-I43 PolarHBondContact O-N 2.8Å; I43-L46 WeakPolarHBondContact O-CB 3.41Å; I43-L46 PolarHBondContact O-N 3.14Å; I43-I47 HydrophobicContact CG2-CD1 3.95Å; I43-I47 HydrophobicContact CG2-CG1 4.4Å; I43-I47 WeakPolarHBondContact O-CG1 3.5Å; I43-I47 PolarHBondContact O-N 3.06Å; I43-V92 HydrophobicContact CG2-CG1 3.89Å; I43-V92 HydrophobicContact CG2-CG2 4.44Å; I43-K95 HydrophobicContact CD1-CB 3.77Å; I43-K95 HydrophobicContact CD1-CD 4.48Å; I43-K95 HydrophobicContact CG1-CB 3.75Å; I43-K95 HydrophobicContact CG1-CD 3.67Å; I43-K95 HydrophobicContact CG1-CG 4.35Å; I43-M99 HydrophobicContact CD1-CE 3.71Å; I43-I126 HydrophobicContact CB-CG2 4.17Å; I43-I126 HydrophobicContact CG2-CG2 3.35Å
44	R	96.9	Very high	95.4	Very high	91 Å²	91	53.5 Å²	53.5	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-47.8	176.1	-77.5	-180	171.1	135	6	112.1	V40 E41 L46 I47 E48	V40-R44 VanDerWaalsContact CG1-NH1 3.26Å; V40-R44 WeakPolarHBondContact O-CG 3.5Å; V40-R44 PolarHBondContact O-N 3.21Å; E41-R44 PolarHBondContact O-N 2.54Å; R44-L46 VanDerWaalsContact C-N 3.26Å; R44-L46 PolarHBondContact O-N 3.18Å; R44-I47 PolarHBondContact O-N 3.43Å; R44-I47 VanDerWaalsContact O-N 3.09Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.16Å
45	N	97.8	Very high	95.8	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-37.4	177.5	-70.3	-26.9	0	0	0	111.9	E41 E42 R49	E41-N45 WeakPolarHBondContact O-CB 3.25Å; E41-N45 VanDerWaalsContact O-CG 3.26Å; E41-N45 PolarHBondContact O-N 3.42Å; E41-N45 PolarHBondContact O-ND2 2.6Å; E42-N45 PolarHBondContact O-N 3.14Å; N45-R49 WeakPolarHBondContact O-CB 3.41Å; N45-R49 PolarHBondContact O-N 2.99Å
46	L	97.8	Very high	96.1	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-43.9	173.7	-69.6	171.5	0	0	0	111.7	E42 I43 R44 R49 V50 I88 R91 V92 K95	E42-L46 VanDerWaalsContact O-CG 3.27Å; E42-L46 WeakPolarHBondContact O-CG 3.46Å; E42-L46 PolarHBondContact O-N 3.15Å; I43-L46 WeakPolarHBondContact O-CB 3.41Å; I43-L46 PolarHBondContact O-N 3.14Å; R44-L46 VanDerWaalsContact C-N 3.26Å; R44-L46 PolarHBondContact O-N 3.18Å; L46-R49 WeakPolarHBondContact O-CB 3.44Å; L46-R49 PolarHBondContact O-N 3.19Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 2.99Å; L46-I88 HydrophobicContact CB-CG2 3.74Å; L46-I88 HydrophobicContact CD2-CG2 3.92Å; L46-I88 HydrophobicContact CG-CG2 4.35Å; L46-I88 WeakPolarHBondContact O-CG2 3.39Å; L46-R91 HydrophobicContact CD1-CG 3.89Å; L46-V92 HydrophobicContact CB-CG2 3.56Å; L46-V92 HydrophobicContact CD1-CG2 4.14Å; L46-V92 HydrophobicContact CG-CG2 4.5Å; L46-K95 HydrophobicContact CD1-CD 4.22Å
47	I	96.9	Very high	96.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-43.9	177.2	-67	167.7	0	0	0	111	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 3.5Å; I43-I47 PolarHBondContact O-N 3.06Å; R44-I47 PolarHBondContact O-N 3.43Å; R44-I47 VanDerWaalsContact O-N 3.09Å; I47-R49 VanDerWaalsContact C-N 3.29Å; I47-R49 PolarHBondContact O-N 3.03Å; I47-V50 WeakPolarHBondContact O-CB 3.35Å; I47-V50 PolarHBondContact O-N 2.78Å; I47-V50 VanDerWaalsContact O-N 3.13Å; I47-Q51 PolarHBondContact O-N 3.26Å; I47-V92 HydrophobicContact CD1-CG1 4.36Å; I47-V92 HydrophobicContact CG1-CG1 4.11Å; I47-V92 HydrophobicContact CG1-CG2 4.2Å; I47-I126 HydrophobicContact CD1-CG2 3.58Å; I47-F130 HydrophobicContact CD1-CB 3.82Å; I47-F130 HydrophobicContact CG1-CB 4.19Å; I47-F130 HydrophobicContact CG1-CD2 4.11Å; I47-V133 HydrophobicContact CG2-CB 4.48Å; I47-V133 HydrophobicContact CG2-CG2 3.72Å
48	E	97.9	Very high	96.5	Very high	125 Å²	125	50 Å²	50	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-60.4	-39.4	175.2	-72.7	177.5	-170.2	0	0	111.8	R44 Q51 S52	R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.16Å; E48-Q51 PolarHBondContact O-N 3.34Å; E48-S52 PolarHBondContact O-N 3.4Å
49	R	97.9	Very high	96.6	Very high	109 Å²	109	51.3 Å²	51.3	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-43	173.6	-179.8	59.3	177.7	170.1	3.4	111.7	N45 L46 I47 S52 L53 E84 I88	N45-R49 WeakPolarHBondContact O-CB 3.41Å; N45-R49 PolarHBondContact O-N 2.99Å; L46-R49 WeakPolarHBondContact O-CB 3.44Å; L46-R49 PolarHBondContact O-N 3.19Å; I47-R49 VanDerWaalsContact C-N 3.29Å; I47-R49 PolarHBondContact O-N 3.03Å; R49-S52 PolarHBondContact O-N 3.48Å; R49-L53 HydrophobicContact CG-CD1 4.14Å; R49-L53 VanDerWaalsContact O-CG 3.31Å; R49-L53 WeakPolarHBondContact O-CG 3.42Å; R49-L53 PolarHBondContact O-N 3.44Å; R49-E84 IonicContact CZ-OE1 2.69Å; R49-E84 VanDerWaalsContact CZ-OE1 3.23Å; R49-E84 IonicContact CZ-OE2 3.13Å; R49-E84 IonicContact NE-OE1 3.56Å; R49-E84 PolarHBondContact NE-OE1 2.92Å; R49-E84 VanDerWaalsContact NH2-CD 3.29Å; R49-E84 IonicContact NH2-OE1 2.78Å; R49-E84 PolarHBondContact NH2-OE1 2.94Å; R49-E84 IonicContact NH2-OE2 3.67Å; R49-E84 PolarHBondContact NH2-OE2 3.23Å; R49-I88 HydrophobicContact CB-CD1 4.13Å; R49-I88 HydrophobicContact CG-CD1 3.4Å
50	V	96.8	Very high	96.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-46.9	174.3	177.7	0	0	0	0	110.4	L46 I47 S52 L53 V54 I85 I88 V133 M134	L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 2.99Å; I47-V50 WeakPolarHBondContact O-CB 3.35Å; I47-V50 PolarHBondContact O-N 2.78Å; I47-V50 VanDerWaalsContact O-N 3.13Å; V50-S52 VanDerWaalsContact C-N 3.31Å; V50-S52 PolarHBondContact O-N 2.89Å; V50-L53 CarbonylContact O-C 3.56Å; V50-L53 WeakPolarHBondContact O-CB 3.35Å; V50-L53 PolarHBondContact O-N 3.34Å; V50-V54 HydrophobicContact CG1-CG2 4.08Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.5Å; V50-V54 PolarHBondContact O-N 3.23Å; V50-I85 HydrophobicContact CG1-CG1 4.47Å; V50-I85 HydrophobicContact CG1-CG2 4.15Å; V50-I88 HydrophobicContact CG2-CB 3.77Å; V50-I88 HydrophobicContact CG2-CG2 3.36Å; V50-V133 HydrophobicContact CB-CG1 4.09Å; V50-V133 HydrophobicContact CG1-CG1 3.6Å; V50-M134 HydrophobicContact CG1-SD 3.99Å
51	Q	97.5	Very high	96.5	Very high	57 Å²	57	51.6 Å²	51.6	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-56.5	-46.1	178.7	-175.4	61.7	54.7	0	0	111.6	I47 E48 L53 V54 D55 V133 D136	I47-Q51 PolarHBondContact O-N 3.26Å; E48-Q51 PolarHBondContact O-N 3.34Å; Q51-L53 VanDerWaalsContact C-N 3.31Å; Q51-L53 PolarHBondContact O-N 2.95Å; Q51-V54 WeakPolarHBondContact O-CB 3.14Å; Q51-V54 PolarHBondContact O-N 3.3Å; Q51-D55 PolarHBondContact O-N 3.49Å; Q51-V133 HydrophobicContact CB-CG1 4.18Å; Q51-V133 HydrophobicContact CB-CG2 4.4Å; Q51-D136 PolarHBondContact NE2-OD2 3.29Å
52	S	98	Very high	96.3	Very high	65 Å²	65	49.3 Å²	49.3	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-38.2	176.4	178.7	0	0	0	0	112.9	E48 R49 V50 N56	E48-S52 PolarHBondContact O-N 3.4Å; R49-S52 PolarHBondContact O-N 3.48Å; V50-S52 VanDerWaalsContact C-N 3.31Å; V50-S52 PolarHBondContact O-N 2.89Å; S52-N56 PolarHBondContact O-N 2.77Å; S52-N56 VanDerWaalsContact O-N 3.07Å
53	L	97.4	Very high	96.1	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-69.7	-37.3	175.6	-68.8	165.1	0	0	0	112	R49 V50 Q51 D55 N56 V57 A81 E84 I85 I88	R49-L53 HydrophobicContact CG-CD1 4.14Å; R49-L53 VanDerWaalsContact O-CG 3.31Å; R49-L53 WeakPolarHBondContact O-CG 3.42Å; R49-L53 PolarHBondContact O-N 3.44Å; V50-L53 CarbonylContact O-C 3.56Å; V50-L53 WeakPolarHBondContact O-CB 3.35Å; V50-L53 PolarHBondContact O-N 3.34Å; Q51-L53 VanDerWaalsContact C-N 3.31Å; Q51-L53 PolarHBondContact O-N 2.95Å; L53-D55 VanDerWaalsContact C-N 3.31Å; L53-D55 PolarHBondContact O-N 3.34Å; L53-N56 WeakPolarHBondContact O-CA 3.34Å; L53-N56 WeakPolarHBondContact O-CB 3.22Å; L53-N56 PolarHBondContact O-N 2.83Å; L53-N56 VanDerWaalsContact O-N 3.14Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.15Å; L53-A81 HydrophobicContact CD2-CB 4.31Å; L53-E84 HydrophobicContact CD1-CB 3.91Å; L53-E84 HydrophobicContact CD1-CG 3.62Å; L53-E84 WeakPolarHBondContact CD2-OE2 3.34Å; L53-I85 HydrophobicContact CB-CD1 3.79Å; L53-I85 HydrophobicContact CB-CG1 3.48Å; L53-I85 VanDerWaalsContact CB-CG1 3.48Å; L53-I85 HydrophobicContact CD1-CG1 3.94Å; L53-I85 HydrophobicContact CG-CG1 4.35Å; L53-I88 HydrophobicContact CD1-CD1 3.95Å
54	V	97	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-42.4	175	171.2	0	0	0	0	110.6	V50 Q51 N56 V57 K58 I85 V133 Y137	V50-V54 HydrophobicContact CG1-CG2 4.08Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.5Å; V50-V54 PolarHBondContact O-N 3.23Å; Q51-V54 WeakPolarHBondContact O-CB 3.14Å; Q51-V54 PolarHBondContact O-N 3.3Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 2.89Å; V54-V57 PolarHBondContact O-N 3.23Å; V54-K58 HydrophobicContact CG1-CD 4.46Å; V54-K58 WeakPolarHBondContact O-CG 3.22Å; V54-K58 PolarHBondContact O-N 3.13Å; V54-I85 HydrophobicContact CG2-CD1 4.09Å; V54-V133 HydrophobicContact CG2-CG1 4.46Å; V54-Y137 HydrophobicContact CG2-CD2 3.86Å; V54-Y137 HydrophobicContact CG2-CG 3.98Å
55	D	97.1	Very high	95.3	Very high	70 Å²	70	47.4 Å²	47.4	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-37.1	174.5	-66.4	-30.6	0	0	0	111.9	Q51 L53 K58 N59	Q51-D55 PolarHBondContact O-N 3.49Å; L53-D55 VanDerWaalsContact C-N 3.31Å; L53-D55 PolarHBondContact O-N 3.34Å; D55-K58 PolarHBondContact O-N 3.48Å; D55-K58 IonicContact OD1-NZ 2.94Å; D55-N59 VanDerWaalsContact O-CG 3.31Å; D55-N59 PolarHBondContact O-N 2.9Å; D55-N59 VanDerWaalsContact O-N 3.09Å; D55-N59 PolarHBondContact O-ND2 3.11Å; D55-N59 VanDerWaalsContact O-ND2 3.13Å
56	N	95.7	Very high	94.8	Very high	65 Å²	65	47.7 Å²	47.7	35%	0.348	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-47.2	172.5	-166.9	-51.5	0	0	0	111.6	S52 L53 V54 K58 N59 K60	S52-N56 PolarHBondContact O-N 2.77Å; S52-N56 VanDerWaalsContact O-N 3.07Å; L53-N56 WeakPolarHBondContact O-CA 3.34Å; L53-N56 WeakPolarHBondContact O-CB 3.22Å; L53-N56 PolarHBondContact O-N 2.83Å; L53-N56 VanDerWaalsContact O-N 3.14Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 2.89Å; N56-K58 PolarHBondContact O-N 2.9Å; N56-N59 WeakPolarHBondContact O-CB 3.48Å; N56-N59 PolarHBondContact O-N 3.31Å; N56-N59 VanDerWaalsContact O-N 3.16Å; N56-K60 WeakPolarHBondContact O-CG 3.48Å; N56-K60 PolarHBondContact O-N 3.08Å; N56-K60 WeakPolarHBondContact OD1-CG 3.48Å
57	V	96.1	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-46.7	176.5	166.4	0	0	0	0	111	L53 V54 N59 K60 H61 L78 A81 M82 I85 Y137	L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.15Å; V54-V57 PolarHBondContact O-N 3.23Å; V57-N59 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.47Å; V57-K60 PolarHBondContact O-N 3Å; V57-H61 VanDerWaalsContact CG1-NE2 3.27Å; V57-H61 WeakPolarHBondContact CG1-NE2 3.36Å; V57-H61 WeakPolarHBondContact O-CB 3.48Å; V57-H61 PolarHBondContact O-CD2 2.99Å; V57-H61 VanDerWaalsContact O-CG 3.26Å; V57-H61 PolarHBondContact O-N 3.47Å; V57-L78 HydrophobicContact CB-CD1 4.22Å; V57-L78 HydrophobicContact CG1-CD1 3.85Å; V57-L78 HydrophobicContact CG2-CD1 4.02Å; V57-A81 HydrophobicContact CG2-CB 3.92Å; V57-M82 HydrophobicContact CG2-CG 4.36Å; V57-I85 HydrophobicContact CG2-CD1 3.78Å; V57-Y137 HydrophobicContact CG1-CE2 4.3Å; V57-Y137 HydrophobicContact CG2-CE2 4.48Å
58	K	96.1	Very high	92.8	Very high	67 Å²	67	53.7 Å²	53.7	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-57.5	-44.6	175.8	-73.3	170	178.3	172.5	0	112.2	V54 D55 N56 H61 S62 D136 A140	V54-K58 HydrophobicContact CG1-CD 4.46Å; V54-K58 WeakPolarHBondContact O-CG 3.22Å; V54-K58 PolarHBondContact O-N 3.13Å; D55-K58 PolarHBondContact O-N 3.48Å; D55-K58 IonicContact OD1-NZ 2.94Å; N56-K58 PolarHBondContact O-N 2.9Å; K58-H61 PolarHBondContact O-N 3.49Å; K58-S62 PolarHBondContact O-N 3.15Å; K58-S62 VanDerWaalsContact O-N 3.08Å; K58-D136 IonicContact NZ-OD1 2.86Å; K58-D136 PolarHBondContact NZ-OD1 3.29Å; K58-D136 IonicContact NZ-OD2 2.67Å; K58-D136 PolarHBondContact NZ-OD2 2.95Å; K58-A140 HydrophobicContact CD-CB 4.46Å; K58-A140 HydrophobicContact CG-CB 3.73Å
59	N	94.6	Very high	91.6	Very high	99 Å²	99	53.6 Å²	53.6	53%	0.529	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-45.9	177.1	-69.3	-32.9	0	0	0	111.3	D55 N56 V57 H61 S62 D63	D55-N59 VanDerWaalsContact O-CG 3.31Å; D55-N59 PolarHBondContact O-N 2.9Å; D55-N59 VanDerWaalsContact O-N 3.09Å; D55-N59 PolarHBondContact O-ND2 3.11Å; D55-N59 VanDerWaalsContact O-ND2 3.13Å; N56-N59 WeakPolarHBondContact O-CB 3.48Å; N56-N59 PolarHBondContact O-N 3.31Å; N56-N59 VanDerWaalsContact O-N 3.16Å; V57-N59 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.47Å; N59-H61 PolarHBondContact O-N 2.82Å; N59-S62 WeakPolarHBondContact O-CA 3.39Å; N59-S62 VanDerWaalsContact O-CB 3.32Å; N59-S62 WeakPolarHBondContact O-CB 3.29Å; N59-S62 PolarHBondContact O-N 3.43Å; N59-S62 VanDerWaalsContact O-N 3.11Å; N59-D63 VanDerWaalsContact O-CG 3.27Å; N59-D63 PolarHBondContact O-N 3.11Å
60	K	93.4	Very high	90.2	Very high	32 Å²	32	51.4 Å²	51.4	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-37.9	178.6	-66.4	-71.2	165.8	-75.2	0	112.8	N56 V57 S62 D63 I64 T74 Q77 L78	N56-K60 WeakPolarHBondContact O-CG 3.48Å; N56-K60 PolarHBondContact O-N 3.08Å; N56-K60 WeakPolarHBondContact OD1-CG 3.48Å; V57-K60 PolarHBondContact O-N 3Å; K60-S62 VanDerWaalsContact C-N 3.31Å; K60-S62 PolarHBondContact O-N 3.33Å; K60-D63 IonicContact NZ-OD2 2.6Å; K60-D63 PolarHBondContact O-N 3.07Å; K60-I64 WeakPolarHBondContact O-CB 3.42Å; K60-I64 VanDerWaalsContact O-CG1 3.22Å; K60-I64 WeakPolarHBondContact O-CG1 3.46Å; K60-I64 PolarHBondContact O-N 3.46Å; K60-T74 HydrophobicContact CB-CG2 4.41Å; K60-T74 HydrophobicContact CD-CG2 3.6Å; K60-Q77 HydrophobicContact CD-CB 4.44Å; K60-L78 HydrophobicContact CB-CB 4.24Å; K60-L78 HydrophobicContact CB-CD1 4.28Å
61	H	93.3	Very high	89.4	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-57.4	-45.5	170	-74.9	-22.9	0	0	0	111.5	V57 K58 N59 I64 L65 Q141 F144	V57-H61 VanDerWaalsContact CG1-NE2 3.27Å; V57-H61 WeakPolarHBondContact CG1-NE2 3.36Å; V57-H61 WeakPolarHBondContact O-CB 3.48Å; V57-H61 PolarHBondContact O-CD2 2.99Å; V57-H61 VanDerWaalsContact O-CG 3.26Å; V57-H61 PolarHBondContact O-N 3.47Å; K58-H61 PolarHBondContact O-N 3.49Å; N59-H61 PolarHBondContact O-N 2.82Å; H61-I64 PolarHBondContact O-N 3.14Å; H61-L65 VanDerWaalsContact O-CG 3.25Å; H61-L65 WeakPolarHBondContact O-CG 3.49Å; H61-L65 PolarHBondContact O-N 3.23Å; H61-Q141 PolarHBondContact NE2-OE1 2.92Å; H61-F144 HydrophobicContact CB-CB 4.22Å; H61-F144 HydrophobicContact CB-CD2 3.43Å; H61-F144 VanDerWaalsContact CB-CD2 3.43Å; H61-F144 HydrophobicContact CB-CE2 3.91Å; H61-F144 HydrophobicContact CB-CG 3.89Å; H61-F144 AromaticContact CD2-CG 3.73Å; H61-F144 AromaticContact CE1-CD1 3.26Å; H61-F144 WeakPolarHBondContact CE1-CD1 3.45Å; H61-F144 AromaticContact CE1-CE1 3.71Å; H61-F144 AromaticContact CE1-CG 3.59Å; H61-F144 AromaticContact CG-CD1 3.88Å; H61-F144 AromaticContact CG-CD2 3.47Å; H61-F144 VanDerWaalsContact CG-CD2 3.47Å; H61-F144 AromaticContact CG-CG 3.41Å; H61-F144 VanDerWaalsContact CG-CG 3.41Å; H61-F144 AromaticContact ND1-CD1 3.29Å; H61-F144 VanDerWaalsContact ND1-CD1 3.29Å; H61-F144 WeakPolarHBondContact ND1-CD1 3.32Å; H61-F144 AromaticContact ND1-CD2 3.52Å; H61-F144 AromaticContact ND1-CE1 3.52Å; H61-F144 AromaticContact ND1-CE2 3.69Å; H61-F144 AromaticContact ND1-CG 3.32Å; H61-F144 VanDerWaalsContact ND1-CG 3.32Å; H61-F144 WeakPolarHBondContact ND1-CG 3.25Å; H61-F144 AromaticContact ND1-CZ 3.71Å; H61-F144 AromaticContact NE2-CD1 3.83Å; H61-F144 AromaticContact NE2-CG 3.85Å
62	S	92.1	Very high	88.9	Confident	71 Å²	71	58.7 Å²	58.7	50%	0.497	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-43.7	175.4	-171	0	0	0	0	112.4	K58 N59 K60 L65 S66	K58-S62 PolarHBondContact O-N 3.15Å; K58-S62 VanDerWaalsContact O-N 3.08Å; N59-S62 WeakPolarHBondContact O-CA 3.39Å; N59-S62 VanDerWaalsContact O-CB 3.32Å; N59-S62 WeakPolarHBondContact O-CB 3.29Å; N59-S62 PolarHBondContact O-N 3.43Å; N59-S62 VanDerWaalsContact O-N 3.11Å; K60-S62 VanDerWaalsContact C-N 3.31Å; K60-S62 PolarHBondContact O-N 3.33Å; S62-L65 PolarHBondContact O-N 3.11Å; S62-S66 WeakPolarHBondContact O-CB 3.42Å; S62-S66 PolarHBondContact O-N 3.49Å; S62-S66 PolarHBondContact O-OG 2.96Å
63	D	91.7	Very high	88.5	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.353	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-48.3	177.7	-63.8	-25.5	0	0	0	111.1	N59 K60 L65 S66 S67 T74	N59-D63 VanDerWaalsContact O-CG 3.27Å; N59-D63 PolarHBondContact O-N 3.11Å; K60-D63 IonicContact NZ-OD2 2.6Å; K60-D63 PolarHBondContact O-N 3.07Å; D63-L65 VanDerWaalsContact C-N 3.29Å; D63-L65 PolarHBondContact O-N 2.98Å; D63-S66 PolarHBondContact O-N 3.26Å; D63-S66 PolarHBondContact O-OG 3.11Å; D63-S67 PolarHBondContact O-N 2.91Å; D63-T74 HydrophobicContact CB-CG2 4.02Å
64	I	89.6	Confident	88.2	Confident	10 Å²	10	58.5 Å²	58.5	5%	0.051	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-34.1	178.8	-71.5	170.1	0	0	0	112.2	K60 H61 T74 K75 L78 F144 R201	K60-I64 WeakPolarHBondContact O-CB 3.42Å; K60-I64 VanDerWaalsContact O-CG1 3.22Å; K60-I64 WeakPolarHBondContact O-CG1 3.46Å; K60-I64 PolarHBondContact O-N 3.46Å; H61-I64 PolarHBondContact O-N 3.14Å; I64-T74 HydrophobicContact CD1-CG2 4.07Å; I64-T74 HydrophobicContact CG1-CG2 3.56Å; I64-K75 HydrophobicContact CD1-CG 4.18Å; I64-L78 HydrophobicContact CD1-CB 4.38Å; I64-L78 HydrophobicContact CD1-CD2 3.53Å; I64-F144 HydrophobicContact CB-CE2 4.41Å; I64-F144 HydrophobicContact CB-CZ 4.48Å; I64-F144 HydrophobicContact CG2-CE2 4.15Å; I64-F144 HydrophobicContact CG2-CZ 3.92Å; I64-R201 PolarHBondContact O-NH2 2.83Å
65	L	87.7	Confident	87.8	Confident	35 Å²	35	59.1 Å²	59.1	18%	0.183	33%	0.334	C	S	.	.	H	α-helix	trans	-71.7	-54.9	171.3	-66.2	169.5	0	0	0	108.9	H61 S62 D63 S67 F144 A147 R151	H61-L65 VanDerWaalsContact O-CG 3.25Å; H61-L65 WeakPolarHBondContact O-CG 3.49Å; H61-L65 PolarHBondContact O-N 3.23Å; S62-L65 PolarHBondContact O-N 3.11Å; D63-L65 VanDerWaalsContact C-N 3.29Å; D63-L65 PolarHBondContact O-N 2.98Å; L65-S67 PolarHBondContact O-N 3.13Å; L65-F144 HydrophobicContact CD1-CD2 3.96Å; L65-F144 HydrophobicContact CD1-CE2 4.28Å; L65-F144 HydrophobicContact CD2-CD2 4.34Å; L65-F144 HydrophobicContact CD2-CE2 4.06Å; L65-F144 HydrophobicContact CG-CD2 4.06Å; L65-F144 HydrophobicContact CG-CE2 3.85Å; L65-A147 HydrophobicContact CD1-CB 3.61Å; L65-A147 HydrophobicContact CD2-CB 3.88Å; L65-A147 HydrophobicContact CG-CB 4.42Å; L65-R151 VanDerWaalsContact C-NH2 3.28Å; L65-R151 PolarHBondContact O-NH1 3.34Å; L65-R151 PolarHBondContact O-NH2 2.95Å
66	S	86.8	Confident	87.6	Confident	89 Å²	89	57.9 Å²	57.9	62%	0.622	33%	0.333	S	S	*	.	H	α-helix	trans	-59.5	-28.4	-174.2	66.8	0	0	0	0	115.3	S62 D63	S62-S66 WeakPolarHBondContact O-CB 3.42Å; S62-S66 PolarHBondContact O-N 3.49Å; S62-S66 PolarHBondContact O-OG 2.96Å; D63-S66 PolarHBondContact O-N 3.26Å; D63-S66 PolarHBondContact O-OG 3.11Å
67	S	80	Confident	87.4	Confident	40 Å²	40	59.6 Å²	59.6	28%	0.28	34%	0.339	S	S	.	.			trans	-84.5	128.9	179.1	-173.2	0	0	0	0	113.1	D63 L65 N69	D63-S67 PolarHBondContact O-N 2.91Å; L65-S67 PolarHBondContact O-N 3.13Å; S67-N69 VanDerWaalsContact C-N 3.27Å; S67-N69 VanDerWaalsContact CB-O 3.31Å; S67-N69 WeakPolarHBondContact CB-O 3.34Å; S67-N69 PolarHBondContact OG-N 3.1Å; S67-N69 PolarHBondContact OG-O 2.86Å
68	P	71.7	Confident	87.3	Confident	110 Å²	110	60.2 Å²	60.2	71%	0.714	34%	0.343	S	S	*	.	S	Bend	trans	-66.4	-31.1	170.4	-16.3	29.2	0	0	0	112.5
69	N	72.2	Confident	87.1	Confident	123 Å²	123	60.9 Å²	60.9	66%	0.658	35%	0.347	S	S	*	.	S	Bend	trans	-97.2	136.3	177.6	-66.4	-21.9	0	0	0	109.3	S67 D71	S67-N69 VanDerWaalsContact C-N 3.27Å; S67-N69 VanDerWaalsContact CB-O 3.31Å; S67-N69 WeakPolarHBondContact CB-O 3.34Å; S67-N69 PolarHBondContact OG-N 3.1Å; S67-N69 PolarHBondContact OG-O 2.86Å; N69-D71 PolarHBondContact O-N 2.9Å; N69-D71 VanDerWaalsContact O-N 3.08Å
70	Q	69.3	Low	87.1	Confident	64 Å²	64	61.6 Å²	61.6	30%	0.299	35%	0.35	S	S	.	.			trans	-71.1	105.9	174.1	-58.8	-161.3	-23	0	0	108.8	E72 K75 A200	Q70-E72 PolarHBondContact O-N 2.9Å; Q70-E72 VanDerWaalsContact O-N 3.16Å; Q70-K75 HydrophobicContact CB-CD 4.37Å; Q70-K75 VanDerWaalsContact CD-CE 3.5Å; Q70-K75 VanDerWaalsContact NE2-NZ 3.17Å; Q70-A200 VanDerWaalsContact CD-CB 3.43Å
71	D	80.6	Confident	87.2	Confident	80 Å²	80	60.3 Å²	60.3	43%	0.428	35%	0.346	S	S	.	.			trans	-73.9	103.3	170	176.9	30.9	0	0	0	108.5	N69 A73 T74 K75	N69-D71 PolarHBondContact O-N 2.9Å; N69-D71 VanDerWaalsContact O-N 3.08Å; D71-A73 PolarHBondContact O-N 3.31Å; D71-A73 PolarHBondContact OD1-N 3.49Å; D71-T74 WeakPolarHBondContact O-CB 3.44Å; D71-T74 PolarHBondContact O-N 3.37Å; D71-T74 WeakPolarHBondContact OD2-CB 3.1Å; D71-T74 PolarHBondContact OD2-N 3.2Å; D71-T74 VanDerWaalsContact OD2-N 3.15Å; D71-T74 PolarHBondContact OD2-OG1 2.95Å; D71-K75 PolarHBondContact O-N 3.33Å
72	E	85.6	Confident	87.2	Confident	129 Å²	129	61.1 Å²	61.1	60%	0.603	35%	0.35	S	S	*	.	H	α-helix	trans	-58	-30.5	-178.9	-161.4	61.2	-150.2	0	0	111.5	Q70 K75 A76	Q70-E72 PolarHBondContact O-N 2.9Å; Q70-E72 VanDerWaalsContact O-N 3.16Å; E72-K75 PolarHBondContact O-N 3.32Å; E72-A76 WeakPolarHBondContact O-CB 3.43Å; E72-A76 PolarHBondContact O-N 2.92Å
73	A	90	Very high	87.3	Confident	53 Å²	53	60.3 Å²	60.3	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-66.9	-45.1	175.6	0	0	0	0	0	111.8	D71 K75 A76 Q77	D71-A73 PolarHBondContact O-N 3.31Å; D71-A73 PolarHBondContact OD1-N 3.49Å; A73-K75 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 2.89Å; A73-A76 PolarHBondContact O-N 3.05Å; A73-Q77 VanDerWaalsContact O-CG 3.28Å; A73-Q77 WeakPolarHBondContact O-CG 3.32Å; A73-Q77 PolarHBondContact O-N 3.13Å
74	T	91.3	Very high	87.5	Confident	17 Å²	17	60.3 Å²	60.3	10%	0.104	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-39.2	174.3	-66.6	0	0	0	0	111.5	K60 D63 I64 D71 Q77 L78	K60-T74 HydrophobicContact CB-CG2 4.41Å; K60-T74 HydrophobicContact CD-CG2 3.6Å; D63-T74 HydrophobicContact CB-CG2 4.02Å; I64-T74 HydrophobicContact CD1-CG2 4.07Å; I64-T74 HydrophobicContact CG1-CG2 3.56Å; D71-T74 WeakPolarHBondContact O-CB 3.44Å; D71-T74 PolarHBondContact O-N 3.37Å; D71-T74 WeakPolarHBondContact OD2-CB 3.1Å; D71-T74 PolarHBondContact OD2-N 3.2Å; D71-T74 VanDerWaalsContact OD2-N 3.15Å; D71-T74 PolarHBondContact OD2-OG1 2.95Å; T74-Q77 PolarHBondContact O-N 3.19Å; T74-L78 WeakPolarHBondContact O-CB 3.28Å; T74-L78 PolarHBondContact O-N 2.81Å
75	K	89.2	Confident	87.8	Confident	12 Å²	12	59.8 Å²	59.8	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-46.6	175.6	-74.8	-170.4	160.3	-154.1	0	112.6	I64 Q70 D71 E72 A73 Q77 L78 E79 D204	I64-K75 HydrophobicContact CD1-CG 4.18Å; Q70-K75 HydrophobicContact CB-CD 4.37Å; Q70-K75 VanDerWaalsContact CD-CE 3.5Å; Q70-K75 VanDerWaalsContact NE2-NZ 3.17Å; D71-K75 PolarHBondContact O-N 3.33Å; E72-K75 PolarHBondContact O-N 3.32Å; A73-K75 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 2.89Å; K75-Q77 VanDerWaalsContact C-N 3.33Å; K75-Q77 PolarHBondContact O-N 2.95Å; K75-L78 WeakPolarHBondContact O-CB 3.46Å; K75-L78 PolarHBondContact O-N 2.78Å; K75-E79 PolarHBondContact O-N 3.43Å; K75-D204 WeakPolarHBondContact CE-OD1 3.3Å; K75-D204 IonicContact NZ-OD1 3.73Å; K75-D204 PolarHBondContact NZ-OD1 2.98Å; K75-D204 IonicContact NZ-OD2 3.39Å
76	A	91.7	Very high	88	Confident	45 Å²	45	62 Å²	62	37%	0.372	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-44.6	176.2	0	0	0	0	0	111.5	E72 A73 L78 E79 D80	E72-A76 WeakPolarHBondContact O-CB 3.43Å; E72-A76 PolarHBondContact O-N 2.92Å; A73-A76 PolarHBondContact O-N 3.05Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 3.14Å; A76-E79 PolarHBondContact O-N 3.21Å; A76-D80 PolarHBondContact O-N 3.44Å
77	Q	93.1	Very high	88.4	Confident	100 Å²	100	62.3 Å²	62.3	47%	0.467	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-37.2	176.2	-72.4	174.5	2	0	0	113.1	K60 A73 T74 K75 A81	K60-Q77 HydrophobicContact CD-CB 4.44Å; A73-Q77 VanDerWaalsContact O-CG 3.28Å; A73-Q77 WeakPolarHBondContact O-CG 3.32Å; A73-Q77 PolarHBondContact O-N 3.13Å; T74-Q77 PolarHBondContact O-N 3.19Å; K75-Q77 VanDerWaalsContact C-N 3.33Å; K75-Q77 PolarHBondContact O-N 2.95Å; Q77-A81 WeakPolarHBondContact O-CB 3.28Å; Q77-A81 PolarHBondContact O-N 2.73Å
78	L	93.2	Very high	89.2	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-46.5	174.5	172.6	63.2	0	0	0	110.9	V57 K60 I64 T74 K75 A76 A81 M82	V57-L78 HydrophobicContact CB-CD1 4.22Å; V57-L78 HydrophobicContact CG1-CD1 3.85Å; V57-L78 HydrophobicContact CG2-CD1 4.02Å; K60-L78 HydrophobicContact CB-CB 4.24Å; K60-L78 HydrophobicContact CB-CD1 4.28Å; I64-L78 HydrophobicContact CD1-CB 4.38Å; I64-L78 HydrophobicContact CD1-CD2 3.53Å; T74-L78 WeakPolarHBondContact O-CB 3.28Å; T74-L78 PolarHBondContact O-N 2.81Å; K75-L78 WeakPolarHBondContact O-CB 3.46Å; K75-L78 PolarHBondContact O-N 2.78Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 3.14Å; L78-A81 PolarHBondContact O-N 3.49Å; L78-M82 HydrophobicContact CD1-CG 4.15Å; L78-M82 HydrophobicContact CD1-SD 4.02Å; L78-M82 HydrophobicContact CG-SD 3.99Å; L78-M82 VanDerWaalsContact O-CG 3.28Å; L78-M82 WeakPolarHBondContact O-CG 3.45Å; L78-M82 PolarHBondContact O-N 3.05Å
79	E	91.9	Very high	90.2	Very high	81 Å²	81	55.9 Å²	55.9	38%	0.379	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-42.3	178.6	-71.7	-178.7	-167.7	0	0	112.2	K75 A76 M82 A83 K207	K75-E79 PolarHBondContact O-N 3.43Å; A76-E79 PolarHBondContact O-N 3.21Å; E79-M82 PolarHBondContact O-N 3.16Å; E79-A83 WeakPolarHBondContact O-CB 3.49Å; E79-A83 PolarHBondContact O-N 3.46Å; E79-K207 IonicContact OE1-NZ 3.46Å; E79-K207 PolarHBondContact OE1-NZ 2.83Å
80	D	94.6	Very high	91.2	Very high	113 Å²	113	54 Å²	54	60%	0.604	29%	0.293	S	S	*	.	H	α-helix	trans	-60.2	-46	174.8	-74	-20	0	0	0	111.3	A76 M82 A83 E84	A76-D80 PolarHBondContact O-N 3.44Å; D80-M82 PolarHBondContact O-N 3.42Å; D80-A83 PolarHBondContact O-N 3.27Å; D80-E84 WeakPolarHBondContact O-CB 3.34Å; D80-E84 PolarHBondContact O-N 3.07Å
81	A	95.4	Very high	92.5	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-42.1	177.5	0	0	0	0	0	111.9	L53 V57 Q77 L78 E84 I85	L53-A81 HydrophobicContact CD2-CB 4.31Å; V57-A81 HydrophobicContact CG2-CB 3.92Å; Q77-A81 WeakPolarHBondContact O-CB 3.28Å; Q77-A81 PolarHBondContact O-N 2.73Å; L78-A81 PolarHBondContact O-N 3.49Å; A81-E84 PolarHBondContact O-N 3.44Å; A81-I85 VanDerWaalsContact O-CG1 3.27Å; A81-I85 WeakPolarHBondContact O-CG1 3.11Å; A81-I85 PolarHBondContact O-N 3.31Å
82	M	94	Very high	93.1	Very high	26 Å²	26	53.4 Å²	53.4	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-41.6	176.3	-71.6	176.7	63.2	0	0	111.9	V57 L78 E79 D80 I85 K86 S211	V57-M82 HydrophobicContact CG2-CG 4.36Å; L78-M82 HydrophobicContact CD1-CG 4.15Å; L78-M82 HydrophobicContact CD1-SD 4.02Å; L78-M82 HydrophobicContact CG-SD 3.99Å; L78-M82 VanDerWaalsContact O-CG 3.28Å; L78-M82 WeakPolarHBondContact O-CG 3.45Å; L78-M82 PolarHBondContact O-N 3.05Å; E79-M82 PolarHBondContact O-N 3.16Å; D80-M82 PolarHBondContact O-N 3.42Å; M82-I85 PolarHBondContact O-N 3.03Å; M82-K86 WeakPolarHBondContact O-CB 3.34Å; M82-K86 PolarHBondContact O-N 3.09Å; M82-S211 VanDerWaalsContact CE-CB 3.49Å
83	A	93.5	Very high	93.4	Very high	53 Å²	53	50 Å²	50	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-38.3	176.3	0	0	0	0	0	112.2	E79 D80 K86 T87	E79-A83 WeakPolarHBondContact O-CB 3.49Å; E79-A83 PolarHBondContact O-N 3.46Å; D80-A83 PolarHBondContact O-N 3.27Å; A83-K86 PolarHBondContact O-N 3.4Å; A83-T87 PolarHBondContact O-N 3.43Å; A83-T87 PolarHBondContact O-OG1 3.1Å
84	E	95.8	Very high	93.6	Very high	66 Å²	66	50.4 Å²	50.4	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-46.4	175.4	-167.3	-178.6	166.1	0	0	111.3	R49 L53 D80 A81 K86 T87 I88	R49-E84 IonicContact CZ-OE1 2.69Å; R49-E84 VanDerWaalsContact CZ-OE1 3.23Å; R49-E84 IonicContact CZ-OE2 3.13Å; R49-E84 IonicContact NE-OE1 3.56Å; R49-E84 PolarHBondContact NE-OE1 2.92Å; R49-E84 VanDerWaalsContact NH2-CD 3.29Å; R49-E84 IonicContact NH2-OE1 2.78Å; R49-E84 PolarHBondContact NH2-OE1 2.94Å; R49-E84 IonicContact NH2-OE2 3.67Å; R49-E84 PolarHBondContact NH2-OE2 3.23Å; L53-E84 HydrophobicContact CD1-CB 3.91Å; L53-E84 HydrophobicContact CD1-CG 3.62Å; L53-E84 WeakPolarHBondContact CD2-OE2 3.34Å; D80-E84 WeakPolarHBondContact O-CB 3.34Å; D80-E84 PolarHBondContact O-N 3.07Å; A81-E84 PolarHBondContact O-N 3.44Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 2.96Å; E84-T87 PolarHBondContact O-N 3.3Å; E84-T87 VanDerWaalsContact O-N 3.15Å; E84-I88 HydrophobicContact CG-CD1 3.84Å; E84-I88 HydrophobicContact CG-CG1 4.38Å; E84-I88 WeakPolarHBondContact O-CG1 3.22Å; E84-I88 PolarHBondContact O-N 3.49Å
85	I	95.6	Very high	93.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54	-49.6	174.5	-72.6	167.2	0	0	0	110.2	V50 L53 V54 V57 A81 M82 T87 I88 A89 M134 Y137	V50-I85 HydrophobicContact CG1-CG1 4.47Å; V50-I85 HydrophobicContact CG1-CG2 4.15Å; L53-I85 HydrophobicContact CB-CD1 3.79Å; L53-I85 HydrophobicContact CB-CG1 3.48Å; L53-I85 VanDerWaalsContact CB-CG1 3.48Å; L53-I85 HydrophobicContact CD1-CG1 3.94Å; L53-I85 HydrophobicContact CG-CG1 4.35Å; V54-I85 HydrophobicContact CG2-CD1 4.09Å; V57-I85 HydrophobicContact CG2-CD1 3.78Å; A81-I85 VanDerWaalsContact O-CG1 3.27Å; A81-I85 WeakPolarHBondContact O-CG1 3.11Å; A81-I85 PolarHBondContact O-N 3.31Å; M82-I85 PolarHBondContact O-N 3.03Å; I85-T87 VanDerWaalsContact C-N 3.34Å; I85-T87 PolarHBondContact O-N 3.46Å; I85-I88 PolarHBondContact O-N 2.98Å; I85-A89 WeakPolarHBondContact O-CB 3.41Å; I85-A89 PolarHBondContact O-N 3.05Å; I85-M134 HydrophobicContact CG2-CE 4.48Å; I85-Y137 HydrophobicContact CD1-CD2 3.96Å; I85-Y137 HydrophobicContact CD1-CE2 3.61Å; I85-Y137 HydrophobicContact CG2-CD1 3.94Å; I85-Y137 HydrophobicContact CG2-CE1 3.68Å; I85-Y137 HydrophobicContact CG2-CE2 4.41Å; I85-Y137 HydrophobicContact CG2-CG 4.41Å
86	K	93.3	Very high	93.8	Very high	80 Å²	80	50.8 Å²	50.8	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-56.2	-48.7	178.2	178.2	-179.6	-177.9	170.5	0	111.8	M82 A83 E84 A89 H90 E214	M82-K86 WeakPolarHBondContact O-CB 3.34Å; M82-K86 PolarHBondContact O-N 3.09Å; A83-K86 PolarHBondContact O-N 3.4Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 2.96Å; K86-A89 PolarHBondContact O-N 3.5Å; K86-H90 PolarHBondContact O-CD2 2.99Å; K86-H90 PolarHBondContact O-N 3.41Å; K86-E214 VanDerWaalsContact CD-OE2 3.25Å; K86-E214 WeakPolarHBondContact CD-OE2 3.27Å; K86-E214 WeakPolarHBondContact CE-OE2 3.26Å; K86-E214 IonicContact NZ-OE1 3.75Å; K86-E214 PolarHBondContact NZ-OE1 2.91Å; K86-E214 IonicContact NZ-OE2 2.86Å; K86-E214 PolarHBondContact NZ-OE2 3.23Å
87	T	94.9	Very high	93.7	Very high	97 Å²	97	54.1 Å²	54.1	60%	0.595	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-46.2	-177.8	-58.8	0	0	0	0	111.5	A83 E84 I85 R91	A83-T87 PolarHBondContact O-N 3.43Å; A83-T87 PolarHBondContact O-OG1 3.1Å; E84-T87 PolarHBondContact O-N 3.3Å; E84-T87 VanDerWaalsContact O-N 3.15Å; I85-T87 VanDerWaalsContact C-N 3.34Å; I85-T87 PolarHBondContact O-N 3.46Å; T87-R91 PolarHBondContact O-N 3.46Å; T87-R91 VanDerWaalsContact O-N 3.15Å
88	I	96	Very high	93.7	Very high	15 Å²	15	54 Å²	54	8%	0.077	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-42.8	179.4	-64	173.3	0	0	0	110.7	L46 R49 V50 L53 E84 I85 H90 R91 V92	L46-I88 HydrophobicContact CB-CG2 3.74Å; L46-I88 HydrophobicContact CD2-CG2 3.92Å; L46-I88 HydrophobicContact CG-CG2 4.35Å; L46-I88 WeakPolarHBondContact O-CG2 3.39Å; R49-I88 HydrophobicContact CB-CD1 4.13Å; R49-I88 HydrophobicContact CG-CD1 3.4Å; V50-I88 HydrophobicContact CG2-CB 3.77Å; V50-I88 HydrophobicContact CG2-CG2 3.36Å; L53-I88 HydrophobicContact CD1-CD1 3.95Å; E84-I88 HydrophobicContact CG-CD1 3.84Å; E84-I88 HydrophobicContact CG-CG1 4.38Å; E84-I88 WeakPolarHBondContact O-CG1 3.22Å; E84-I88 PolarHBondContact O-N 3.49Å; I85-I88 PolarHBondContact O-N 2.98Å; I88-H90 VanDerWaalsContact C-N 3.35Å; I88-H90 PolarHBondContact O-N 3.4Å; I88-R91 CarbonylContact O-C 3.54Å; I88-R91 WeakPolarHBondContact O-CA 3.32Å; I88-R91 WeakPolarHBondContact O-CB 3.29Å; I88-R91 PolarHBondContact O-N 2.79Å; I88-V92 HydrophobicContact CG2-CG2 4.14Å; I88-V92 WeakPolarHBondContact O-CG2 3.44Å; I88-V92 PolarHBondContact O-N 2.87Å
89	A	93.9	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-41.4	179.5	0	0	0	0	0	112.1	I85 K86 R91 V92 R93 F130 M134 M218	I85-A89 WeakPolarHBondContact O-CB 3.41Å; I85-A89 PolarHBondContact O-N 3.05Å; K86-A89 PolarHBondContact O-N 3.5Å; A89-R91 VanDerWaalsContact C-N 3.35Å; A89-R91 PolarHBondContact O-N 3.13Å; A89-V92 PolarHBondContact O-N 3.48Å; A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 PolarHBondContact O-N 2.91Å; A89-F130 HydrophobicContact CB-CE2 4.11Å; A89-F130 HydrophobicContact CB-CZ 3.9Å; A89-F130 WeakPolarHBondContact O-CZ 3.48Å; A89-M134 HydrophobicContact CB-CE 3.84Å; A89-M134 HydrophobicContact CB-SD 3.97Å; A89-M218 HydrophobicContact CB-CE 3.58Å; A89-M218 HydrophobicContact CB-SD 3.68Å
90	H	93.1	Very high	93.3	Very high	84 Å²	84	50.8 Å²	50.8	39%	0.389	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-39.3	171.1	-74.9	-59.9	0	0	0	112.8	K86 I88 R93 A94	K86-H90 PolarHBondContact O-CD2 2.99Å; K86-H90 PolarHBondContact O-N 3.41Å; I88-H90 VanDerWaalsContact C-N 3.35Å; I88-H90 PolarHBondContact O-N 3.4Å; H90-R93 PolarHBondContact O-N 2.91Å; H90-A94 WeakPolarHBondContact O-CB 3.38Å; H90-A94 PolarHBondContact O-N 3.3Å
91	R	95	Very high	93	Very high	131 Å²	131	50.8 Å²	50.8	49%	0.494	26%	0.255	S	S	.	.	H	α-helix	trans	-66.2	-44.6	177.3	-174.6	177.9	178.2	168.1	-0.5	112.1	E42 L46 T87 I88 A89 A94 K95	E42-R91 IonicContact OE1-CZ 2.9Å; E42-R91 IonicContact OE1-NE 2.73Å; E42-R91 IonicContact OE1-NH2 3.84Å; E42-R91 PolarHBondContact OE1-NH2 2.76Å; L46-R91 HydrophobicContact CD1-CG 3.89Å; T87-R91 PolarHBondContact O-N 3.46Å; T87-R91 VanDerWaalsContact O-N 3.15Å; I88-R91 CarbonylContact O-C 3.54Å; I88-R91 WeakPolarHBondContact O-CA 3.32Å; I88-R91 WeakPolarHBondContact O-CB 3.29Å; I88-R91 PolarHBondContact O-N 2.79Å; A89-R91 VanDerWaalsContact C-N 3.35Å; A89-R91 PolarHBondContact O-N 3.13Å; R91-A94 PolarHBondContact O-N 3.2Å; R91-K95 WeakPolarHBondContact O-CG 3.27Å; R91-K95 PolarHBondContact O-N 2.69Å; R91-K95 VanDerWaalsContact O-N 3.07Å
92	V	94.6	Very high	92.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-48.9	175.4	170.5	0	0	0	0	109.8	I43 L46 I47 I88 A89 A94 K95 L96 F130	I43-V92 HydrophobicContact CG2-CG1 3.89Å; I43-V92 HydrophobicContact CG2-CG2 4.44Å; L46-V92 HydrophobicContact CB-CG2 3.56Å; L46-V92 HydrophobicContact CD1-CG2 4.14Å; L46-V92 HydrophobicContact CG-CG2 4.5Å; I47-V92 HydrophobicContact CD1-CG1 4.36Å; I47-V92 HydrophobicContact CG1-CG1 4.11Å; I47-V92 HydrophobicContact CG1-CG2 4.2Å; I88-V92 HydrophobicContact CG2-CG2 4.14Å; I88-V92 WeakPolarHBondContact O-CG2 3.44Å; I88-V92 PolarHBondContact O-N 2.87Å; A89-V92 PolarHBondContact O-N 3.48Å; V92-A94 PolarHBondContact O-N 3.03Å; V92-K95 PolarHBondContact O-N 2.78Å; V92-L96 HydrophobicContact CG1-CD1 3.89Å; V92-L96 HydrophobicContact CG1-CG 4.3Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.31Å; V92-F130 HydrophobicContact CB-CD2 4.23Å; V92-F130 HydrophobicContact CB-CE1 4.36Å; V92-F130 HydrophobicContact CB-CE2 3.94Å; V92-F130 HydrophobicContact CB-CZ 4.03Å; V92-F130 HydrophobicContact CG1-CB 4.21Å; V92-F130 HydrophobicContact CG1-CD1 3.69Å; V92-F130 HydrophobicContact CG1-CD2 3.6Å; V92-F130 HydrophobicContact CG1-CE1 3.87Å; V92-F130 HydrophobicContact CG1-CE2 3.79Å; V92-F130 HydrophobicContact CG1-CG 3.56Å; V92-F130 HydrophobicContact CG1-CZ 3.93Å; V92-F130 HydrophobicContact CG2-CE2 4.44Å
93	R	92.1	Very high	92.2	Very high	57 Å²	57	52.2 Å²	52.2	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-46.7	176.6	177.3	179.5	160.5	179.2	-5.2	112.7	A89 H90 K95 L96 K97 F130 D221	A89-R93 WeakPolarHBondContact O-CB 3.43Å; A89-R93 PolarHBondContact O-N 2.91Å; H90-R93 PolarHBondContact O-N 2.91Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.02Å; R93-L96 PolarHBondContact O-N 3.21Å; R93-K97 PolarHBondContact O-N 3.15Å; R93-F130 HydrophobicContact CB-CE1 4.5Å; R93-D221 IonicContact CZ-OD2 3.84Å; R93-D221 IonicContact NH1-OD2 2.58Å; R93-D221 PolarHBondContact NH1-OD2 2.91Å; R93-D221 VanDerWaalsContact NH2-CB 3.33Å; R93-D221 IonicContact NH2-OD1 3.47Å; R93-D221 PolarHBondContact NH2-OD1 3.37Å; R93-D221 IonicContact NH2-OD2 3.95Å; R93-D221 PolarHBondContact NH2-OD2 3.36Å
94	A	92.8	Very high	91.8	Very high	61 Å²	61	54.1 Å²	54.1	50%	0.504	26%	0.262	S	S	.	.	H	α-helix	trans	-61.7	-41.6	179.2	0	0	0	0	0	112	H90 R91 V92 K97 Q98	H90-A94 WeakPolarHBondContact O-CB 3.38Å; H90-A94 PolarHBondContact O-N 3.3Å; R91-A94 PolarHBondContact O-N 3.2Å; V92-A94 PolarHBondContact O-N 3.03Å; A94-K97 PolarHBondContact O-N 3.2Å; A94-Q98 PolarHBondContact O-N 2.87Å
95	K	93.9	Very high	91.3	Very high	35 Å²	35	58.6 Å²	58.6	15%	0.152	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-40.2	177	-72.7	179.6	177.5	-76.6	0	112.8	E42 I43 L46 R91 V92 R93 Q98 M99	E42-K95 WeakPolarHBondContact OE1-CE 3.42Å; E42-K95 IonicContact OE1-NZ 2.78Å; E42-K95 PolarHBondContact OE1-NZ 3.13Å; E42-K95 WeakPolarHBondContact OE2-CE 3.33Å; E42-K95 IonicContact OE2-NZ 2.81Å; E42-K95 PolarHBondContact OE2-NZ 3.5Å; I43-K95 HydrophobicContact CD1-CB 3.77Å; I43-K95 HydrophobicContact CD1-CD 4.48Å; I43-K95 HydrophobicContact CG1-CB 3.75Å; I43-K95 HydrophobicContact CG1-CD 3.67Å; I43-K95 HydrophobicContact CG1-CG 4.35Å; L46-K95 HydrophobicContact CD1-CD 4.22Å; R91-K95 WeakPolarHBondContact O-CG 3.27Å; R91-K95 PolarHBondContact O-N 2.69Å; R91-K95 VanDerWaalsContact O-N 3.07Å; V92-K95 PolarHBondContact O-N 2.78Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.02Å; K95-Q98 PolarHBondContact O-N 3.38Å; K95-M99 WeakPolarHBondContact O-CB 3.49Å; K95-M99 PolarHBondContact O-N 3.1Å
96	L	91.9	Very high	90.5	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-45.4	174.7	-75.4	176.4	0	0	0	111.2	V92 R93 Q98 M99 E100 Y123 I126 F130	V92-L96 HydrophobicContact CG1-CD1 3.89Å; V92-L96 HydrophobicContact CG1-CG 4.3Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.31Å; R93-L96 PolarHBondContact O-N 3.21Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.35Å; L96-M99 WeakPolarHBondContact O-CB 3.46Å; L96-M99 PolarHBondContact O-N 3.06Å; L96-M99 VanDerWaalsContact O-N 3.12Å; L96-E100 PolarHBondContact O-N 3Å; L96-Y123 HydrophobicContact CB-CE2 4.24Å; L96-Y123 HydrophobicContact CD2-CD2 4.04Å; L96-Y123 HydrophobicContact CD2-CE2 4.18Å; L96-Y123 WeakPolarHBondContact O-CE2 3.12Å; L96-I126 HydrophobicContact CD2-CB 4.26Å; L96-I126 HydrophobicContact CD2-CG2 3.82Å; L96-F130 HydrophobicContact CD1-CB 4.42Å; L96-F130 HydrophobicContact CD1-CD1 3.89Å; L96-F130 HydrophobicContact CD1-CG 4.46Å
97	K	89.9	Confident	89.7	Confident	114 Å²	114	58.8 Å²	58.8	50%	0.496	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-39.5	175.4	-172	169.9	-174.6	170	0	112.5	R93 A94 M99 E100 M101	R93-K97 PolarHBondContact O-N 3.15Å; A94-K97 PolarHBondContact O-N 3.2Å; K97-M99 VanDerWaalsContact C-N 3.35Å; K97-E100 PolarHBondContact O-N 2.98Å; K97-M101 WeakPolarHBondContact O-CG 3.47Å; K97-M101 PolarHBondContact O-N 2.8Å
98	Q	91.6	Very high	88.8	Confident	99 Å²	99	60.8 Å²	60.8	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-40.6	174.1	-174.3	-178.8	1.9	0	0	111.8	A94 K95 L96 M101 N102	A94-Q98 PolarHBondContact O-N 2.87Å; K95-Q98 PolarHBondContact O-N 3.38Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.35Å; Q98-M101 PolarHBondContact O-N 3.05Å; Q98-N102 VanDerWaalsContact O-CG 3.23Å; Q98-N102 PolarHBondContact O-N 2.97Å; Q98-N102 VanDerWaalsContact O-N 3.12Å; Q98-N102 PolarHBondContact O-ND2 3.28Å
99	M	90	Very high	87.6	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.02	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-42	176.9	-172	173.7	-65.7	0	0	111.8	F36 V40 I43 K95 L96 K97 N102 I103 Y123	F36-M99 HydrophobicContact CD2-CE 4.4Å; F36-M99 HydrophobicContact CE2-CE 3.65Å; F36-M99 HydrophobicContact CE2-CG 4.1Å; F36-M99 HydrophobicContact CE2-SD 3.79Å; F36-M99 HydrophobicContact CZ-CE 4.26Å; F36-M99 HydrophobicContact CZ-SD 4.17Å; V40-M99 HydrophobicContact CG2-CE 3.78Å; I43-M99 HydrophobicContact CD1-CE 3.71Å; K95-M99 WeakPolarHBondContact O-CB 3.49Å; K95-M99 PolarHBondContact O-N 3.1Å; L96-M99 WeakPolarHBondContact O-CB 3.46Å; L96-M99 PolarHBondContact O-N 3.06Å; L96-M99 VanDerWaalsContact O-N 3.12Å; K97-M99 VanDerWaalsContact C-N 3.35Å; M99-N102 PolarHBondContact O-N 3.22Å; M99-I103 HydrophobicContact CG-CD1 4.1Å; M99-I103 WeakPolarHBondContact O-CD1 3.38Å; M99-I103 VanDerWaalsContact O-CG1 3.3Å; M99-I103 WeakPolarHBondContact O-CG1 3.44Å; M99-I103 PolarHBondContact O-N 3.47Å; M99-Y123 HydrophobicContact CB-CD2 4.18Å; M99-Y123 HydrophobicContact CG-CD2 4.12Å; M99-Y123 HydrophobicContact SD-CD2 4.13Å; M99-Y123 HydrophobicContact SD-CG 4.46Å
100	E	87.9	Confident	86	Confident	23 Å²	23	69.8 Å²	69.8	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-51.4	174	-179.4	178.4	-121.9	0	0	111.8	L96 K97 N102 I103 E104 Y123 L225	L96-E100 PolarHBondContact O-N 3Å; K97-E100 PolarHBondContact O-N 2.98Å; E100-N102 PolarHBondContact O-N 3.37Å; E100-I103 WeakPolarHBondContact O-CA 3.43Å; E100-I103 WeakPolarHBondContact O-CB 3.49Å; E100-I103 PolarHBondContact O-N 3.4Å; E100-E104 HydrophobicContact CG-CG 4.49Å; E100-E104 PolarHBondContact O-N 2.99Å; E100-Y123 HydrophobicContact CB-CE2 3.96Å; E100-Y123 PolarHBondContact OE1-OH 2.78Å; E100-L225 WeakPolarHBondContact OE1-CD2 3.43Å; E100-L225 WeakPolarHBondContact OE2-CD2 3.26Å
101	M	88.1	Confident	84.3	Confident	112 Å²	112	73.6 Å²	73.6	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-56.9	-38.5	177.9	-71.5	176.5	63.1	0	0	112.6	K97 Q98 Y105	K97-M101 WeakPolarHBondContact O-CG 3.47Å; K97-M101 PolarHBondContact O-N 2.8Å; Q98-M101 PolarHBondContact O-N 3.05Å; M101-Y105 WeakPolarHBondContact O-CB 3.31Å; M101-Y105 PolarHBondContact O-N 3.13Å
102	N	87.3	Confident	82.8	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-67.5	-38.8	176.2	-68	-25	0	0	0	111.8	Q98 M99 E100 D106	Q98-N102 VanDerWaalsContact O-CG 3.23Å; Q98-N102 PolarHBondContact O-N 2.97Å; Q98-N102 VanDerWaalsContact O-N 3.12Å; Q98-N102 PolarHBondContact O-ND2 3.28Å; M99-N102 PolarHBondContact O-N 3.22Å; E100-N102 PolarHBondContact O-N 3.37Å; N102-D106 PolarHBondContact O-N 3.03Å; N102-D106 VanDerWaalsContact O-N 3.14Å
103	I	85.6	Confident	81.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-64.6	-47.1	176.1	-72.4	163.1	0	0	0	110.6	M99 E100 Y105 D106 E107 L116 R119 K120 Y123 M232	M99-I103 HydrophobicContact CG-CD1 4.1Å; M99-I103 WeakPolarHBondContact O-CD1 3.38Å; M99-I103 VanDerWaalsContact O-CG1 3.3Å; M99-I103 WeakPolarHBondContact O-CG1 3.44Å; M99-I103 PolarHBondContact O-N 3.47Å; E100-I103 WeakPolarHBondContact O-CA 3.43Å; E100-I103 WeakPolarHBondContact O-CB 3.49Å; E100-I103 PolarHBondContact O-N 3.4Å; I103-Y105 VanDerWaalsContact C-N 3.31Å; I103-Y105 PolarHBondContact O-N 3.34Å; I103-D106 PolarHBondContact O-N 3.13Å; I103-E107 WeakPolarHBondContact O-CG 3.42Å; I103-E107 PolarHBondContact O-N 2.96Å; I103-L116 HydrophobicContact CG2-CD1 4.1Å; I103-R119 HydrophobicContact CD1-CB 4.21Å; I103-R119 HydrophobicContact CG1-CB 3.86Å; I103-K120 HydrophobicContact CD1-CG 4.4Å; I103-K120 HydrophobicContact CG1-CG 4.46Å; I103-K120 HydrophobicContact CG2-CD 4.37Å; I103-K120 HydrophobicContact CG2-CG 3.62Å; I103-Y123 HydrophobicContact CD1-CD1 4.26Å; I103-Y123 HydrophobicContact CD1-CG 3.91Å; I103-M232 HydrophobicContact CG2-CE 3.72Å; I103-M232 HydrophobicContact CG2-SD 4.2Å
104	E	84.4	Confident	81.1	Confident	94 Å²	94	72.7 Å²	72.7	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-38.7	178.4	-70	-179.5	170.9	0	0	112	E100 E107 N108	E100-E104 HydrophobicContact CG-CG 4.49Å; E100-E104 PolarHBondContact O-N 2.99Å; E104-E107 PolarHBondContact O-N 3.07Å; E104-N108 PolarHBondContact O-N 3.39Å; E104-N108 VanDerWaalsContact O-N 3.13Å; E104-N108 PolarHBondContact O-ND2 2.83Å
105	Y	84.6	Confident	80.6	Confident	160 Å²	160	72.5 Å²	72.5	63%	0.627	36%	0.363	S	S	*	.	H	α-helix	trans	-63	-43.4	175.1	-179.9	-95.2	0	0	0	112.3	M101 I103 N108 S109	M101-Y105 WeakPolarHBondContact O-CB 3.31Å; M101-Y105 PolarHBondContact O-N 3.13Å; I103-Y105 VanDerWaalsContact C-N 3.31Å; I103-Y105 PolarHBondContact O-N 3.34Å; Y105-N108 PolarHBondContact O-N 2.86Å; Y105-S109 PolarHBondContact O-N 3.46Å; Y105-S109 PolarHBondContact O-OG 2.68Å; Y105-S109 VanDerWaalsContact O-OG 3.06Å
106	D	80.1	Confident	80.1	Confident	31 Å²	31	71.2 Å²	71.2	17%	0.166	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-34.5	178.4	-76.9	-18.6	0	0	0	112.2	N102 I103 S109 L116 R119	N102-D106 PolarHBondContact O-N 3.03Å; N102-D106 VanDerWaalsContact O-N 3.14Å; I103-D106 PolarHBondContact O-N 3.13Å; D106-S109 PolarHBondContact O-N 2.93Å; D106-L116 HydrophobicContact CB-CD1 3.81Å; D106-R119 IonicContact OD2-NE 3.23Å
107	E	76.7	Confident	79.5	Confident	53 Å²	53	74 Å²	74	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-46.1	173.6	-78.2	-170.7	136.6	0	0	112.3	I103 E104 S109 D110 L116 K120	I103-E107 WeakPolarHBondContact O-CG 3.42Å; I103-E107 PolarHBondContact O-N 2.96Å; E104-E107 PolarHBondContact O-N 3.07Å; E107-S109 PolarHBondContact O-N 3.33Å; E107-S109 VanDerWaalsContact O-N 3.14Å; E107-D110 PolarHBondContact O-N 3.13Å; E107-L116 HydrophobicContact CG-CD1 4.37Å; E107-L116 HydrophobicContact CG-CD2 4.04Å; E107-K120 WeakPolarHBondContact OE1-CE 3.48Å; E107-K120 IonicContact OE1-NZ 2.85Å; E107-K120 PolarHBondContact OE1-NZ 3.48Å
108	N	75.4	Confident	79.3	Confident	139 Å²	139	70.9 Å²	70.9	74%	0.743	36%	0.356	S	S	*	.	H	α-helix	trans	-66.4	-14.3	179.5	-72.8	-46.3	0	0	0	113.5	E104 Y105 D110	E104-N108 PolarHBondContact O-N 3.39Å; E104-N108 VanDerWaalsContact O-N 3.13Å; E104-N108 PolarHBondContact O-ND2 2.83Å; Y105-N108 PolarHBondContact O-N 2.86Å; N108-D110 VanDerWaalsContact C-N 3.33Å
109	S	71.6	Confident	79.1	Confident	53 Å²	53	68.4 Å²	68.4	37%	0.371	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.7	178.2	-58.7	0	0	0	0	113.3	Y105 D106 E107 R111	Y105-S109 PolarHBondContact O-N 3.46Å; Y105-S109 PolarHBondContact O-OG 2.68Å; Y105-S109 VanDerWaalsContact O-OG 3.06Å; D106-S109 PolarHBondContact O-N 2.93Å; E107-S109 PolarHBondContact O-N 3.33Å; E107-S109 VanDerWaalsContact O-N 3.14Å; S109-R111 PolarHBondContact O-N 3.19Å
110	D	58.9	Low	78.8	Confident	150 Å²	150	68.7 Å²	68.7	80%	0.802	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	24.5	-175.2	-82.9	-29.4	0	0	0	113.9	E107 N108 T112	E107-D110 PolarHBondContact O-N 3.13Å; N108-D110 VanDerWaalsContact C-N 3.33Å; D110-T112 VanDerWaalsContact C-N 3.31Å; D110-T112 PolarHBondContact O-N 3.13Å
111	R	56.9	Low	78.7	Confident	165 Å²	165	70.7 Å²	70.7	62%	0.623	36%	0.358	S	S	*	.			trans	-85.9	73.1	178.1	-71.2	-176.6	174.7	-179.7	-1.3	109.9	S109 S113 L116	S109-R111 PolarHBondContact O-N 3.19Å; R111-S113 PolarHBondContact O-N 3.02Å; R111-S113 PolarHBondContact O-OG 3.32Å; R111-L116 VanDerWaalsContact O-CD2 3.26Å; R111-L116 WeakPolarHBondContact O-CD2 3.39Å
112	T	63.6	Low	78.8	Confident	87 Å²	87	67.3 Å²	67.3	53%	0.534	34%	0.341	S	S	.	.			trans	-69.1	75.2	165.3	-52.7	0	0	0	0	109.4	D110 N239	D110-T112 VanDerWaalsContact C-N 3.31Å; D110-T112 PolarHBondContact O-N 3.13Å; T112-N239 HydrophobicContact CG2-CB 4.14Å
113	S	74.2	Confident	78.9	Confident	37 Å²	37	64.3 Å²	64.3	26%	0.259	33%	0.325	S	S	.	.			trans	-104.8	157.4	-177	62.1	0	0	0	0	111	R111 D115 L116 R117	R111-S113 PolarHBondContact O-N 3.02Å; R111-S113 PolarHBondContact O-OG 3.32Å; S113-D115 PolarHBondContact O-N 2.92Å; S113-L116 PolarHBondContact O-N 3.02Å; S113-L116 PolarHBondContact OG-N 3.19Å; S113-L116 VanDerWaalsContact OG-N 3.11Å; S113-R117 PolarHBondContact O-N 3.46Å
114	A	77.5	Confident	78.9	Confident	45 Å²	45	64.7 Å²	64.7	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-55.4	-37.3	169.8	0	0	0	0	0	111.1	R117 I118	A114-R117 PolarHBondContact O-N 3.45Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 3Å
115	D	82	Confident	79.1	Confident	57 Å²	57	63.8 Å²	63.8	31%	0.305	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-48.6	177.5	-55.6	12.4	0	0	0	111.2	Y32 M33 S113 R117 I118 R119	Y32-D115 WeakPolarHBondContact CE2-OD1 3.28Å; Y32-D115 VanDerWaalsContact CZ-OD1 3.25Å; Y32-D115 PolarHBondContact OH-OD1 3.25Å; M33-D115 HydrophobicContact CE-CB 4.24Å; M33-D115 HydrophobicContact SD-CB 4.03Å; S113-D115 PolarHBondContact O-N 2.92Å; D115-R117 VanDerWaalsContact C-N 3.33Å; D115-R117 PolarHBondContact O-N 3.13Å; D115-I118 PolarHBondContact O-N 3.21Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-N 2.98Å
116	L	82.8	Confident	79.4	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-42.9	177.8	-178.8	58.4	0	0	0	111.4	I103 D106 E107 R111 S113 I118 R119 K120	I103-L116 HydrophobicContact CG2-CD1 4.1Å; D106-L116 HydrophobicContact CB-CD1 3.81Å; E107-L116 HydrophobicContact CG-CD1 4.37Å; E107-L116 HydrophobicContact CG-CD2 4.04Å; R111-L116 VanDerWaalsContact O-CD2 3.26Å; R111-L116 WeakPolarHBondContact O-CD2 3.39Å; S113-L116 PolarHBondContact O-N 3.02Å; S113-L116 PolarHBondContact OG-N 3.19Å; S113-L116 VanDerWaalsContact OG-N 3.11Å; L116-I118 PolarHBondContact O-N 2.94Å; L116-R119 PolarHBondContact O-N 2.64Å; L116-K120 HydrophobicContact CD1-CD 4.32Å; L116-K120 HydrophobicContact CD1-CG 4.23Å; L116-K120 HydrophobicContact CG-CD 4.17Å; L116-K120 HydrophobicContact CG-CG 4.5Å; L116-K120 VanDerWaalsContact O-CG 3.26Å; L116-K120 WeakPolarHBondContact O-CG 3.3Å; L116-K120 PolarHBondContact O-N 3.04Å
117	R	80	Confident	79.9	Confident	60 Å²	60	54.9 Å²	54.9	23%	0.226	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-45.5	176.2	-66.7	-171	-62.6	-133.4	-0.9	111.6	S113 A114 D115 R119 K120 T121 I236	S113-R117 PolarHBondContact O-N 3.46Å; A114-R117 PolarHBondContact O-N 3.45Å; D115-R117 VanDerWaalsContact C-N 3.33Å; D115-R117 PolarHBondContact O-N 3.13Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 2.79Å; R117-K120 PolarHBondContact O-N 3.24Å; R117-T121 WeakPolarHBondContact O-CB 3.47Å; R117-T121 PolarHBondContact O-N 2.76Å; R117-T121 PolarHBondContact O-OG1 3Å; R117-T121 VanDerWaalsContact O-OG1 3.07Å; R117-I236 HydrophobicContact CB-CG2 4.22Å; R117-I236 HydrophobicContact CG-CG2 4.19Å
118	I	85	Confident	80.4	Confident	50 Å²	50	60.1 Å²	60.1	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-47.2	176.1	-69.1	165.2	0	0	0	110.2	Y32 F36 F37 A114 D115 L116 K120 T121 Q122	Y32-I118 HydrophobicContact CE1-CD1 4.14Å; Y32-I118 WeakPolarHBondContact OH-CD1 3.25Å; F36-I118 HydrophobicContact CE1-CG2 4.07Å; F37-I118 HydrophobicContact CE1-CG2 3.92Å; F37-I118 HydrophobicContact CZ-CG2 3.94Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 3Å; D115-I118 PolarHBondContact O-N 3.21Å; L116-I118 PolarHBondContact O-N 2.94Å; I118-K120 PolarHBondContact O-N 3.36Å; I118-T121 PolarHBondContact O-N 3.32Å; I118-Q122 HydrophobicContact CG2-CG 4.25Å; I118-Q122 WeakPolarHBondContact O-CB 3.47Å; I118-Q122 WeakPolarHBondContact O-CG 3.46Å; I118-Q122 PolarHBondContact O-N 2.96Å
119	R	88.1	Confident	81.1	Confident	47 Å²	47	56.8 Å²	56.8	18%	0.177	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-49.6	179.1	-69.6	176.9	-175.8	-81.7	-5.2	112	M33 F36 I103 D106 D115 L116 R117 Q122 Y123	M33-R119 HydrophobicContact CE-CG 3.66Å; M33-R119 PolarHBondContact SD-NH2 3.39Å; F36-R119 HydrophobicContact CD1-CG 4.39Å; F36-R119 HydrophobicContact CD2-CG 3.99Å; F36-R119 HydrophobicContact CE1-CG 4.18Å; F36-R119 HydrophobicContact CE2-CB 4.13Å; F36-R119 HydrophobicContact CE2-CG 3.75Å; F36-R119 HydrophobicContact CG-CG 4.29Å; F36-R119 HydrophobicContact CZ-CB 4.06Å; F36-R119 HydrophobicContact CZ-CG 3.88Å; I103-R119 HydrophobicContact CD1-CB 4.21Å; I103-R119 HydrophobicContact CG1-CB 3.86Å; D106-R119 IonicContact OD2-NE 3.23Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-N 2.98Å; L116-R119 PolarHBondContact O-N 2.64Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 2.79Å; R119-Q122 PolarHBondContact O-N 2.82Å; R119-Y123 VanDerWaalsContact O-CB 3.32Å; R119-Y123 WeakPolarHBondContact O-CB 3.19Å; R119-Y123 PolarHBondContact O-N 3.15Å
120	K	84.8	Confident	82.1	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-46.2	179.9	-67.9	176.8	161.1	-176.4	0	113.1	I103 E107 L116 R117 I118 Q122 Y123 S124 M232 I236	I103-K120 HydrophobicContact CD1-CG 4.4Å; I103-K120 HydrophobicContact CG1-CG 4.46Å; I103-K120 HydrophobicContact CG2-CD 4.37Å; I103-K120 HydrophobicContact CG2-CG 3.62Å; E107-K120 WeakPolarHBondContact OE1-CE 3.48Å; E107-K120 IonicContact OE1-NZ 2.85Å; E107-K120 PolarHBondContact OE1-NZ 3.48Å; L116-K120 HydrophobicContact CD1-CD 4.32Å; L116-K120 HydrophobicContact CD1-CG 4.23Å; L116-K120 HydrophobicContact CG-CD 4.17Å; L116-K120 HydrophobicContact CG-CG 4.5Å; L116-K120 VanDerWaalsContact O-CG 3.26Å; L116-K120 WeakPolarHBondContact O-CG 3.3Å; L116-K120 PolarHBondContact O-N 3.04Å; R117-K120 PolarHBondContact O-N 3.24Å; I118-K120 PolarHBondContact O-N 3.36Å; K120-Q122 PolarHBondContact O-N 3.43Å; K120-Y123 PolarHBondContact O-N 2.72Å; K120-S124 PolarHBondContact O-N 3.37Å; K120-M232 HydrophobicContact CB-CG 3.97Å; K120-M232 HydrophobicContact CB-SD 3.65Å; K120-M232 HydrophobicContact CD-CG 3.56Å; K120-M232 HydrophobicContact CD-SD 3.9Å; K120-M232 HydrophobicContact CG-CE 4.46Å; K120-M232 HydrophobicContact CG-CG 3.82Å; K120-M232 HydrophobicContact CG-SD 3.46Å; K120-M232 WeakPolarHBondContact CG-SD 3.48Å; K120-I236 HydrophobicContact CB-CD1 3.47Å; K120-I236 VanDerWaalsContact CB-CD1 3.47Å; K120-I236 HydrophobicContact CB-CG1 4.26Å; K120-I236 HydrophobicContact CD-CD1 4.16Å; K120-I236 HydrophobicContact CD-CG1 4.07Å; K120-I236 HydrophobicContact CG-CD1 4.48Å
121	T	84.9	Confident	83.6	Confident	65 Å²	65	48.9 Å²	48.9	40%	0.399	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-43.8	178.2	-59.9	0	0	0	0	111.6	R117 I118 T125	R117-T121 WeakPolarHBondContact O-CB 3.47Å; R117-T121 PolarHBondContact O-N 2.76Å; R117-T121 PolarHBondContact O-OG1 3Å; R117-T121 VanDerWaalsContact O-OG1 3.07Å; I118-T121 PolarHBondContact O-N 3.32Å; T121-T125 WeakPolarHBondContact O-CB 3.33Å; T121-T125 PolarHBondContact O-N 3.03Å; T121-T125 PolarHBondContact O-OG1 2.83Å
122	Q	89.6	Confident	85.2	Confident	40 Å²	40	47.6 Å²	47.6	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-46.7	177.2	-68.5	-66.2	-22.4	0	0	111.6	F36 V40 I118 R119 K120 S124 T125 I126	F36-Q122 HydrophobicContact CE1-CB 4.04Å; F36-Q122 HydrophobicContact CE1-CG 3.92Å; F36-Q122 HydrophobicContact CZ-CB 3.74Å; F36-Q122 HydrophobicContact CZ-CG 4.16Å; V40-Q122 HydrophobicContact CG2-CB 4.12Å; I118-Q122 HydrophobicContact CG2-CG 4.25Å; I118-Q122 WeakPolarHBondContact O-CB 3.47Å; I118-Q122 WeakPolarHBondContact O-CG 3.46Å; I118-Q122 PolarHBondContact O-N 2.96Å; R119-Q122 PolarHBondContact O-N 2.82Å; K120-Q122 PolarHBondContact O-N 3.43Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; Q122-S124 PolarHBondContact O-N 2.64Å; Q122-T125 PolarHBondContact O-N 2.81Å; Q122-I126 WeakPolarHBondContact O-CB 3.42Å; Q122-I126 WeakPolarHBondContact O-CD1 3.25Å; Q122-I126 WeakPolarHBondContact O-CG1 3.21Å; Q122-I126 PolarHBondContact O-N 2.69Å
123	Y	89.3	Confident	86.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-51.6	-52.4	174.2	171.8	-110.5	0	0	0	111	L96 M99 E100 I103 R119 K120 T125 I126 S127 Q229 M232	L96-Y123 HydrophobicContact CB-CE2 4.24Å; L96-Y123 HydrophobicContact CD2-CD2 4.04Å; L96-Y123 HydrophobicContact CD2-CE2 4.18Å; L96-Y123 WeakPolarHBondContact O-CE2 3.12Å; M99-Y123 HydrophobicContact CB-CD2 4.18Å; M99-Y123 HydrophobicContact CG-CD2 4.12Å; M99-Y123 HydrophobicContact SD-CD2 4.13Å; M99-Y123 HydrophobicContact SD-CG 4.46Å; E100-Y123 HydrophobicContact CB-CE2 3.96Å; E100-Y123 PolarHBondContact OE1-OH 2.78Å; I103-Y123 HydrophobicContact CD1-CD1 4.26Å; I103-Y123 HydrophobicContact CD1-CG 3.91Å; R119-Y123 VanDerWaalsContact O-CB 3.32Å; R119-Y123 WeakPolarHBondContact O-CB 3.19Å; R119-Y123 PolarHBondContact O-N 3.15Å; K120-Y123 PolarHBondContact O-N 2.72Å; Y123-T125 PolarHBondContact O-N 3.41Å; Y123-I126 PolarHBondContact O-N 3.37Å; Y123-S127 WeakPolarHBondContact O-CB 3.37Å; Y123-S127 PolarHBondContact O-N 3.36Å; Y123-S127 PolarHBondContact O-OG 2.92Å; Y123-S127 VanDerWaalsContact O-OG 3.04Å; Y123-Q229 HydrophobicContact CD1-CG 4.39Å; Y123-Q229 HydrophobicContact CE1-CG 4.02Å; Y123-M232 HydrophobicContact CD1-SD 4.43Å
124	S	86.2	Confident	87.6	Confident	7 Å²	7	41.9 Å²	41.9	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-41.7	-178.1	-179.3	0	0	0	0	113.3	K120 Q122 I126 S127 R128 Q229 I233	K120-S124 PolarHBondContact O-N 3.37Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; Q122-S124 PolarHBondContact O-N 2.64Å; S124-I126 PolarHBondContact O-N 3.4Å; S124-S127 PolarHBondContact O-N 3.41Å; S124-R128 WeakPolarHBondContact O-CB 3.48Å; S124-R128 PolarHBondContact O-N 3.42Å; S124-Q229 VanDerWaalsContact CB-OE1 3.28Å; S124-Q229 PolarHBondContact O-OE1 2.84Å; S124-Q229 PolarHBondContact OG-OE1 3.49Å; S124-I233 WeakPolarHBondContact OG-CD1 3.42Å
125	T	88	Confident	88.3	Confident	75 Å²	75	42 Å²	42	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-62.4	-44.1	179.1	-56.7	0	0	0	0	111.4	T121 Q122 Y123 N129	T121-T125 WeakPolarHBondContact O-CB 3.33Å; T121-T125 PolarHBondContact O-N 3.03Å; T121-T125 PolarHBondContact O-OG1 2.83Å; Q122-T125 PolarHBondContact O-N 2.81Å; Y123-T125 PolarHBondContact O-N 3.41Å; T125-N129 PolarHBondContact O-N 3.37Å; T125-N129 VanDerWaalsContact O-N 3.1Å
126	I	91.9	Very high	88.9	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-70.9	-44.2	-178.7	-63.4	164.8	0	0	0	110.5	V40 I43 I47 L96 Q122 Y123 S124 R128 N129 F130	V40-I126 HydrophobicContact CB-CD1 4.09Å; V40-I126 HydrophobicContact CG1-CD1 3.67Å; V40-I126 HydrophobicContact CG2-CD1 3.85Å; I43-I126 HydrophobicContact CB-CG2 4.17Å; I43-I126 HydrophobicContact CG2-CG2 3.35Å; I47-I126 HydrophobicContact CD1-CG2 3.58Å; L96-I126 HydrophobicContact CD2-CB 4.26Å; L96-I126 HydrophobicContact CD2-CG2 3.82Å; Q122-I126 WeakPolarHBondContact O-CB 3.42Å; Q122-I126 WeakPolarHBondContact O-CD1 3.25Å; Q122-I126 WeakPolarHBondContact O-CG1 3.21Å; Q122-I126 PolarHBondContact O-N 2.69Å; Y123-I126 PolarHBondContact O-N 3.37Å; S124-I126 PolarHBondContact O-N 3.4Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.03Å; I126-N129 PolarHBondContact O-N 3Å; I126-F130 WeakPolarHBondContact O-CB 3.09Å; I126-F130 PolarHBondContact O-N 3.49Å
127	S	90.1	Very high	89.5	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-45.3	176	-68.3	0	0	0	0	111.5	Y123 S124 F130 I131	Y123-S127 WeakPolarHBondContact O-CB 3.37Å; Y123-S127 PolarHBondContact O-N 3.36Å; Y123-S127 PolarHBondContact O-OG 2.92Å; Y123-S127 VanDerWaalsContact O-OG 3.04Å; S124-S127 PolarHBondContact O-N 3.41Å; S127-F130 PolarHBondContact O-N 3.14Å; S127-I131 WeakPolarHBondContact O-CD1 3.27Å; S127-I131 WeakPolarHBondContact O-CG1 3.31Å; S127-I131 PolarHBondContact O-N 3.24Å
128	R	87.3	Confident	90.1	Very high	164 Å²	164	40.4 Å²	40.4	62%	0.619	20%	0.201	S	C	*	.	H	α-helix	trans	-60.9	-46.9	176.7	-174.5	178.5	-65.7	-163.2	-0.1	112.2	S124 I126 I131 E132	S124-R128 WeakPolarHBondContact O-CB 3.48Å; S124-R128 PolarHBondContact O-N 3.42Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.03Å; R128-I131 PolarHBondContact O-N 3.06Å; R128-E132 PolarHBondContact O-N 3.25Å
129	N	91.1	Very high	90.6	Very high	68 Å²	68	44.4 Å²	44.4	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-47.1	177.1	-174.8	-3.5	0	0	0	110.8	T125 I126 I131 E132 V133	T125-N129 PolarHBondContact O-N 3.37Å; T125-N129 VanDerWaalsContact O-N 3.1Å; I126-N129 PolarHBondContact O-N 3Å; N129-I131 VanDerWaalsContact C-N 3.31Å; N129-I131 PolarHBondContact O-N 3.33Å; N129-E132 WeakPolarHBondContact O-CB 3.3Å; N129-E132 PolarHBondContact O-N 3.42Å; N129-E132 VanDerWaalsContact O-N 3.12Å; N129-V133 WeakPolarHBondContact O-CG2 3.43Å; N129-V133 PolarHBondContact O-N 3.27Å
130	F	92.8	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-43.7	178.2	-178.1	-131.2	0	0	0	112.4	I47 A89 V92 R93 L96 I126 S127 E132 V133 M134 M218 M222	I47-F130 HydrophobicContact CD1-CB 3.82Å; I47-F130 HydrophobicContact CG1-CB 4.19Å; I47-F130 HydrophobicContact CG1-CD2 4.11Å; A89-F130 HydrophobicContact CB-CE2 4.11Å; A89-F130 HydrophobicContact CB-CZ 3.9Å; A89-F130 WeakPolarHBondContact O-CZ 3.48Å; V92-F130 HydrophobicContact CB-CD2 4.23Å; V92-F130 HydrophobicContact CB-CE1 4.36Å; V92-F130 HydrophobicContact CB-CE2 3.94Å; V92-F130 HydrophobicContact CB-CZ 4.03Å; V92-F130 HydrophobicContact CG1-CB 4.21Å; V92-F130 HydrophobicContact CG1-CD1 3.69Å; V92-F130 HydrophobicContact CG1-CD2 3.6Å; V92-F130 HydrophobicContact CG1-CE1 3.87Å; V92-F130 HydrophobicContact CG1-CE2 3.79Å; V92-F130 HydrophobicContact CG1-CG 3.56Å; V92-F130 HydrophobicContact CG1-CZ 3.93Å; V92-F130 HydrophobicContact CG2-CE2 4.44Å; R93-F130 HydrophobicContact CB-CE1 4.5Å; L96-F130 HydrophobicContact CD1-CB 4.42Å; L96-F130 HydrophobicContact CD1-CD1 3.89Å; L96-F130 HydrophobicContact CD1-CG 4.46Å; I126-F130 WeakPolarHBondContact O-CB 3.09Å; I126-F130 PolarHBondContact O-N 3.49Å; S127-F130 PolarHBondContact O-N 3.14Å; F130-E132 VanDerWaalsContact C-N 3.34Å; F130-E132 PolarHBondContact O-N 2.93Å; F130-V133 PolarHBondContact O-N 3.43Å; F130-M134 HydrophobicContact CD2-CG 3.84Å; F130-M134 HydrophobicContact CD2-SD 4.41Å; F130-M134 HydrophobicContact CE1-CG 4.37Å; F130-M134 HydrophobicContact CE2-CG 3.46Å; F130-M134 VanDerWaalsContact CE2-CG 3.46Å; F130-M134 HydrophobicContact CE2-SD 3.67Å; F130-M134 HydrophobicContact CG-CG 4.43Å; F130-M134 HydrophobicContact CZ-CG 3.76Å; F130-M134 HydrophobicContact CZ-SD 4.15Å; F130-M134 WeakPolarHBondContact O-CB 3.12Å; F130-M134 VanDerWaalsContact O-CG 3.26Å; F130-M134 WeakPolarHBondContact O-CG 3.4Å; F130-M134 PolarHBondContact O-N 3.09Å; F130-M218 HydrophobicContact CE1-SD 4.33Å; F130-M218 HydrophobicContact CZ-SD 3.89Å; F130-M222 HydrophobicContact CD1-CE 4.24Å; F130-M222 HydrophobicContact CD1-SD 3.24Å; F130-M222 WeakPolarHBondContact CD1-SD 3.25Å; F130-M222 HydrophobicContact CE1-CE 3.99Å; F130-M222 HydrophobicContact CE1-SD 3.21Å; F130-M222 WeakPolarHBondContact CE1-SD 3.39Å; F130-M222 HydrophobicContact CG-SD 4.4Å; F130-M222 HydrophobicContact CZ-SD 4.36Å
131	I	90.1	Very high	91.4	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.195	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-39.5	177.1	-71.8	156.7	0	0	0	111.9	S127 R128 N129 M134 T135 M222 V226	S127-I131 WeakPolarHBondContact O-CD1 3.27Å; S127-I131 WeakPolarHBondContact O-CG1 3.31Å; S127-I131 PolarHBondContact O-N 3.24Å; R128-I131 PolarHBondContact O-N 3.06Å; N129-I131 VanDerWaalsContact C-N 3.31Å; N129-I131 PolarHBondContact O-N 3.33Å; I131-M134 PolarHBondContact O-N 2.89Å; I131-T135 VanDerWaalsContact O-CB 3.23Å; I131-T135 WeakPolarHBondContact O-CB 3.47Å; I131-T135 PolarHBondContact O-N 3.26Å; I131-T135 PolarHBondContact O-OG1 2.96Å; I131-M222 HydrophobicContact CD1-CB 4.46Å; I131-M222 HydrophobicContact CG1-CB 4.39Å; I131-M222 HydrophobicContact CG1-CE 3.96Å; I131-M222 HydrophobicContact CG1-SD 3.81Å; I131-V226 HydrophobicContact CD1-CG2 3.03Å; I131-V226 HydrophobicContact CG1-CG2 4.45Å
132	E	90.6	Very high	91.8	Very high	137 Å²	137	41.8 Å²	41.8	64%	0.64	21%	0.207	S	C	*	.	H	α-helix	trans	-60	-49.7	176.1	-174.4	173.6	-177.6	0	0	111.3	R128 N129 F130 M134 T135 D136	R128-E132 PolarHBondContact O-N 3.25Å; N129-E132 WeakPolarHBondContact O-CB 3.3Å; N129-E132 PolarHBondContact O-N 3.42Å; N129-E132 VanDerWaalsContact O-N 3.12Å; F130-E132 VanDerWaalsContact C-N 3.34Å; F130-E132 PolarHBondContact O-N 2.93Å; E132-M134 PolarHBondContact O-N 3.46Å; E132-T135 WeakPolarHBondContact O-CB 3.43Å; E132-T135 PolarHBondContact O-N 2.96Å; E132-D136 PolarHBondContact O-N 3.46Å
133	V	94.5	Very high	92.1	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-46	177.4	178	0	0	0	0	111.5	I47 V50 Q51 V54 N129 F130 T135 D136 Y137	I47-V133 HydrophobicContact CG2-CB 4.48Å; I47-V133 HydrophobicContact CG2-CG2 3.72Å; V50-V133 HydrophobicContact CB-CG1 4.09Å; V50-V133 HydrophobicContact CG1-CG1 3.6Å; Q51-V133 HydrophobicContact CB-CG1 4.18Å; Q51-V133 HydrophobicContact CB-CG2 4.4Å; V54-V133 HydrophobicContact CG2-CG1 4.46Å; N129-V133 WeakPolarHBondContact O-CG2 3.43Å; N129-V133 PolarHBondContact O-N 3.27Å; F130-V133 PolarHBondContact O-N 3.43Å; V133-T135 VanDerWaalsContact C-N 3.29Å; V133-T135 PolarHBondContact O-N 2.96Å; V133-D136 PolarHBondContact O-N 3.49Å; V133-Y137 PolarHBondContact O-N 3.41Å
134	M	93.4	Very high	92.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-30.6	179.4	-64.8	-53.1	-64.2	0	0	112.2	V50 I85 A89 F130 I131 E132 Y137 N138 L215 M218 F219 M222	V50-M134 HydrophobicContact CG1-SD 3.99Å; I85-M134 HydrophobicContact CG2-CE 4.48Å; A89-M134 HydrophobicContact CB-CE 3.84Å; A89-M134 HydrophobicContact CB-SD 3.97Å; F130-M134 HydrophobicContact CD2-CG 3.84Å; F130-M134 HydrophobicContact CD2-SD 4.41Å; F130-M134 HydrophobicContact CE1-CG 4.37Å; F130-M134 HydrophobicContact CE2-CG 3.46Å; F130-M134 VanDerWaalsContact CE2-CG 3.46Å; F130-M134 HydrophobicContact CE2-SD 3.67Å; F130-M134 HydrophobicContact CG-CG 4.43Å; F130-M134 HydrophobicContact CZ-CG 3.76Å; F130-M134 HydrophobicContact CZ-SD 4.15Å; F130-M134 WeakPolarHBondContact O-CB 3.12Å; F130-M134 VanDerWaalsContact O-CG 3.26Å; F130-M134 WeakPolarHBondContact O-CG 3.4Å; F130-M134 PolarHBondContact O-N 3.09Å; I131-M134 PolarHBondContact O-N 2.89Å; E132-M134 PolarHBondContact O-N 3.46Å; M134-Y137 HydrophobicContact CE-CD1 4.02Å; M134-Y137 WeakPolarHBondContact O-CB 3.38Å; M134-Y137 PolarHBondContact O-N 3.39Å; M134-N138 PolarHBondContact O-N 2.94Å; M134-L215 HydrophobicContact CE-CD2 3.14Å; M134-M218 HydrophobicContact CE-CE 4.49Å; M134-M218 HydrophobicContact CE-SD 4.06Å; M134-F219 HydrophobicContact CB-CE1 4.11Å; M134-F219 HydrophobicContact CB-CZ 3.9Å; M134-M222 HydrophobicContact CB-CE 4.48Å; M134-M222 HydrophobicContact CG-CE 4.48Å
135	T	91.9	Very high	92.7	Very high	47 Å²	47	44.4 Å²	44.4	29%	0.288	23%	0.228	S	C	.	.	H	α-helix	trans	-68.5	-41.2	173.9	-61.2	0	0	0	0	110.9	I131 E132 V133 N138 K139	I131-T135 VanDerWaalsContact O-CB 3.23Å; I131-T135 WeakPolarHBondContact O-CB 3.47Å; I131-T135 PolarHBondContact O-N 3.26Å; I131-T135 PolarHBondContact O-OG1 2.96Å; E132-T135 WeakPolarHBondContact O-CB 3.43Å; E132-T135 PolarHBondContact O-N 2.96Å; V133-T135 VanDerWaalsContact C-N 3.29Å; V133-T135 PolarHBondContact O-N 2.96Å; T135-N138 PolarHBondContact O-N 2.96Å; T135-K139 HydrophobicContact CG2-CD 4.46Å; T135-K139 WeakPolarHBondContact O-CG 3.34Å; T135-K139 PolarHBondContact O-N 3.35Å
136	D	94.7	Very high	93	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-41.6	173.6	-175.2	42.5	0	0	0	111.7	Q51 K58 E132 V133 K139 A140	Q51-D136 PolarHBondContact NE2-OD2 3.29Å; K58-D136 IonicContact NZ-OD1 2.86Å; K58-D136 PolarHBondContact NZ-OD1 3.29Å; K58-D136 IonicContact NZ-OD2 2.67Å; K58-D136 PolarHBondContact NZ-OD2 2.95Å; E132-D136 PolarHBondContact O-N 3.46Å; V133-D136 PolarHBondContact O-N 3.49Å; D136-K139 PolarHBondContact O-N 3.08Å; D136-A140 PolarHBondContact O-N 3.45Å
137	Y	95.4	Very high	93.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-49.5	171.7	-178.6	-131.4	0	0	0	112.2	V54 V57 I85 V133 M134 K139 A140 Q141 S211 L215	V54-Y137 HydrophobicContact CG2-CD2 3.86Å; V54-Y137 HydrophobicContact CG2-CG 3.98Å; V57-Y137 HydrophobicContact CG1-CE2 4.3Å; V57-Y137 HydrophobicContact CG2-CE2 4.48Å; I85-Y137 HydrophobicContact CD1-CD2 3.96Å; I85-Y137 HydrophobicContact CD1-CE2 3.61Å; I85-Y137 HydrophobicContact CG2-CD1 3.94Å; I85-Y137 HydrophobicContact CG2-CE1 3.68Å; I85-Y137 HydrophobicContact CG2-CE2 4.41Å; I85-Y137 HydrophobicContact CG2-CG 4.41Å; V133-Y137 PolarHBondContact O-N 3.41Å; M134-Y137 HydrophobicContact CE-CD1 4.02Å; M134-Y137 WeakPolarHBondContact O-CB 3.38Å; M134-Y137 PolarHBondContact O-N 3.39Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.64Å; Y137-A140 WeakPolarHBondContact O-CB 3.49Å; Y137-A140 PolarHBondContact O-N 3.07Å; Y137-A140 VanDerWaalsContact O-N 3.13Å; Y137-Q141 HydrophobicContact CD2-CG 4.25Å; Y137-Q141 HydrophobicContact CE1-CG 4.49Å; Y137-Q141 HydrophobicContact CE2-CG 3.94Å; Y137-Q141 WeakPolarHBondContact O-CG 3.44Å; Y137-Q141 PolarHBondContact O-N 3.47Å; Y137-Q141 PolarHBondContact OH-NE2 3.32Å; Y137-S211 PolarHBondContact OH-OG 3.09Å; Y137-L215 HydrophobicContact CD1-CD1 3.44Å; Y137-L215 VanDerWaalsContact CD1-CD1 3.44Å; Y137-L215 HydrophobicContact CD1-CD2 3.68Å; Y137-L215 HydrophobicContact CD1-CG 4.1Å; Y137-L215 HydrophobicContact CE1-CD1 3.48Å; Y137-L215 VanDerWaalsContact CE1-CD1 3.48Å; Y137-L215 HydrophobicContact CE1-CD2 3.74Å; Y137-L215 HydrophobicContact CE1-CG 3.95Å; Y137-L215 HydrophobicContact CG-CD1 4.46Å
138	N	93.5	Very high	93.2	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-40.9	178.2	-175.8	66.4	0	0	0	112.2	M134 T135 A140 Q141 V142 L215 F219	M134-N138 PolarHBondContact O-N 2.94Å; T135-N138 PolarHBondContact O-N 2.96Å; N138-A140 VanDerWaalsContact C-N 3.33Å; N138-A140 PolarHBondContact O-N 3.36Å; N138-Q141 PolarHBondContact O-N 2.95Å; N138-V142 WeakPolarHBondContact O-CG2 3.4Å; N138-V142 PolarHBondContact O-N 3.11Å; N138-L215 HydrophobicContact CB-CD1 4.27Å; N138-F219 HydrophobicContact CB-CE2 4.1Å; N138-F219 HydrophobicContact CB-CZ 4.43Å
139	K	94.7	Very high	93.5	Very high	134 Å²	134	38.7 Å²	38.7	58%	0.583	21%	0.209	S	C	*	.	H	α-helix	trans	-60.1	-42.2	174.5	-74.4	171.5	-179.4	172.3	0	111.8	T135 D136 Y137 Q141 A143	T135-K139 HydrophobicContact CG2-CD 4.46Å; T135-K139 WeakPolarHBondContact O-CG 3.34Å; T135-K139 PolarHBondContact O-N 3.35Å; D136-K139 PolarHBondContact O-N 3.08Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.64Å; K139-Q141 VanDerWaalsContact C-N 3.35Å; K139-A143 WeakPolarHBondContact O-CB 3.49Å; K139-A143 PolarHBondContact O-N 2.92Å
140	A	95	Very high	93.6	Very high	11 Å²	11	40.2 Å²	40.2	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-42.3	176.3	0	0	0	0	0	111.9	K58 D136 Y137 N138 A143 F144	K58-A140 HydrophobicContact CD-CB 4.46Å; K58-A140 HydrophobicContact CG-CB 3.73Å; D136-A140 PolarHBondContact O-N 3.45Å; Y137-A140 WeakPolarHBondContact O-CB 3.49Å; Y137-A140 PolarHBondContact O-N 3.07Å; Y137-A140 VanDerWaalsContact O-N 3.13Å; N138-A140 VanDerWaalsContact C-N 3.33Å; N138-A140 PolarHBondContact O-N 3.36Å; A140-A143 PolarHBondContact O-N 3.49Å; A140-F144 PolarHBondContact O-N 2.95Å
141	Q	94.3	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-46.9	178.2	-65.7	-65.4	7	0	0	112.4	H61 Y137 N138 K139 F144 R145 I212	H61-Q141 PolarHBondContact NE2-OE1 2.92Å; Y137-Q141 HydrophobicContact CD2-CG 4.25Å; Y137-Q141 HydrophobicContact CE1-CG 4.49Å; Y137-Q141 HydrophobicContact CE2-CG 3.94Å; Y137-Q141 WeakPolarHBondContact O-CG 3.44Å; Y137-Q141 PolarHBondContact O-N 3.47Å; Y137-Q141 PolarHBondContact OH-NE2 3.32Å; N138-Q141 PolarHBondContact O-N 2.95Å; K139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-F144 PolarHBondContact O-N 2.86Å; Q141-R145 WeakPolarHBondContact O-CB 3.49Å; Q141-R145 PolarHBondContact O-N 2.82Å; Q141-I212 HydrophobicContact CB-CD1 4.01Å; Q141-I212 HydrophobicContact CB-CG1 3.86Å
142	V	94	Very high	93.5	Very high	56 Å²	56	42 Å²	42	34%	0.339	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-45	177	173.9	0	0	0	0	111.1	N138 F144 R145 D146 I212	N138-V142 WeakPolarHBondContact O-CG2 3.4Å; N138-V142 PolarHBondContact O-N 3.11Å; V142-F144 VanDerWaalsContact C-N 3.31Å; V142-F144 PolarHBondContact O-N 3.47Å; V142-R145 WeakPolarHBondContact O-CB 3.47Å; V142-R145 PolarHBondContact O-N 3.47Å; V142-D146 PolarHBondContact O-N 3.47Å; V142-I212 HydrophobicContact CG2-CD1 4.38Å
143	A	95.1	Very high	93.5	Very high	60 Å²	60	37.8 Å²	37.8	50%	0.496	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-39.9	178.2	0	0	0	0	0	112.5	K139 A140 A147	K139-A143 WeakPolarHBondContact O-CB 3.49Å; K139-A143 PolarHBondContact O-N 2.92Å; A140-A143 PolarHBondContact O-N 3.49Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 3.19Å
144	F	94.4	Very high	93.3	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-71	-37.3	176.7	-178.2	-112.6	0	0	0	112.5	H61 I64 L65 A140 Q141 V142 A147 C148 D204 L208	H61-F144 HydrophobicContact CB-CB 4.22Å; H61-F144 HydrophobicContact CB-CD2 3.43Å; H61-F144 VanDerWaalsContact CB-CD2 3.43Å; H61-F144 HydrophobicContact CB-CE2 3.91Å; H61-F144 HydrophobicContact CB-CG 3.89Å; H61-F144 AromaticContact CD2-CG 3.73Å; H61-F144 AromaticContact CE1-CD1 3.26Å; H61-F144 WeakPolarHBondContact CE1-CD1 3.45Å; H61-F144 AromaticContact CE1-CE1 3.71Å; H61-F144 AromaticContact CE1-CG 3.59Å; H61-F144 AromaticContact CG-CD1 3.88Å; H61-F144 AromaticContact CG-CD2 3.47Å; H61-F144 VanDerWaalsContact CG-CD2 3.47Å; H61-F144 AromaticContact CG-CG 3.41Å; H61-F144 VanDerWaalsContact CG-CG 3.41Å; H61-F144 AromaticContact ND1-CD1 3.29Å; H61-F144 VanDerWaalsContact ND1-CD1 3.29Å; H61-F144 WeakPolarHBondContact ND1-CD1 3.32Å; H61-F144 AromaticContact ND1-CD2 3.52Å; H61-F144 AromaticContact ND1-CE1 3.52Å; H61-F144 AromaticContact ND1-CE2 3.69Å; H61-F144 AromaticContact ND1-CG 3.32Å; H61-F144 VanDerWaalsContact ND1-CG 3.32Å; H61-F144 WeakPolarHBondContact ND1-CG 3.25Å; H61-F144 AromaticContact ND1-CZ 3.71Å; H61-F144 AromaticContact NE2-CD1 3.83Å; H61-F144 AromaticContact NE2-CG 3.85Å; I64-F144 HydrophobicContact CB-CE2 4.41Å; I64-F144 HydrophobicContact CB-CZ 4.48Å; I64-F144 HydrophobicContact CG2-CE2 4.15Å; I64-F144 HydrophobicContact CG2-CZ 3.92Å; L65-F144 HydrophobicContact CD1-CD2 3.96Å; L65-F144 HydrophobicContact CD1-CE2 4.28Å; L65-F144 HydrophobicContact CD2-CD2 4.34Å; L65-F144 HydrophobicContact CD2-CE2 4.06Å; L65-F144 HydrophobicContact CG-CD2 4.06Å; L65-F144 HydrophobicContact CG-CE2 3.85Å; A140-F144 PolarHBondContact O-N 2.95Å; Q141-F144 PolarHBondContact O-N 2.86Å; V142-F144 VanDerWaalsContact C-N 3.31Å; V142-F144 PolarHBondContact O-N 3.47Å; F144-A147 PolarHBondContact O-N 3.26Å; F144-C148 PolarHBondContact O-N 3.23Å; F144-C148 PolarHBondContact O-SG 3.29Å; F144-D204 HydrophobicContact CE1-CB 4.42Å; F144-L208 HydrophobicContact CD1-CD1 3.28Å; F144-L208 HydrophobicContact CD1-CD2 3.54Å; F144-L208 HydrophobicContact CD1-CG 3.97Å; F144-L208 HydrophobicContact CE1-CD1 3.73Å; F144-L208 HydrophobicContact CE1-CD2 3.97Å; F144-L208 HydrophobicContact CE1-CG 4.27Å; F144-L208 HydrophobicContact CG-CD1 4.32Å
145	R	94.3	Very high	93	Very high	36 Å²	36	47.9 Å²	47.9	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-47.3	172.6	-174.5	-115.8	-174.4	-133.4	-4.6	111.5	Q141 V142 A147 C148 K149 E169 I205 L208 E209	Q141-R145 WeakPolarHBondContact O-CB 3.49Å; Q141-R145 PolarHBondContact O-N 2.82Å; V142-R145 WeakPolarHBondContact O-CB 3.47Å; V142-R145 PolarHBondContact O-N 3.47Å; R145-A147 VanDerWaalsContact C-N 3.35Å; R145-A147 PolarHBondContact O-N 3.47Å; R145-C148 PolarHBondContact O-N 3.25Å; R145-K149 PolarHBondContact O-N 2.96Å; R145-E169 IonicContact CZ-OE1 3.59Å; R145-E169 IonicContact CZ-OE2 2.77Å; R145-E169 IonicContact NH1-OE1 2.61Å; R145-E169 PolarHBondContact NH1-OE1 3.13Å; R145-E169 IonicContact NH1-OE2 2.92Å; R145-E169 PolarHBondContact NH1-OE2 2.68Å; R145-E169 VanDerWaalsContact NH1-OE2 3.13Å; R145-E169 IonicContact NH2-OE1 3.71Å; R145-E169 IonicContact NH2-OE2 2.64Å; R145-E169 PolarHBondContact NH2-OE2 3.48Å; R145-I205 HydrophobicContact CG-CG1 4.45Å; R145-I205 HydrophobicContact CG-CG2 4.18Å; R145-L208 HydrophobicContact CB-CD1 3.97Å; R145-E209 IonicContact NE-OE1 2.72Å; R145-E209 IonicContact NH2-OE1 2.78Å; R145-E209 PolarHBondContact NH2-OE1 3.22Å
146	D	94.5	Very high	92.8	Very high	72 Å²	72	45.6 Å²	45.6	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-38.9	177	-71.6	-17.8	0	0	0	112.2	V142 K149 N150	V142-D146 PolarHBondContact O-N 3.47Å; D146-K149 PolarHBondContact O-N 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.42Å; D146-N150 VanDerWaalsContact O-CG 3.31Å; D146-N150 PolarHBondContact O-N 2.97Å; D146-N150 PolarHBondContact O-ND2 3.37Å; D146-N150 VanDerWaalsContact O-ND2 3.1Å
147	A	93.4	Very high	92.5	Very high	27 Å²	27	48.4 Å²	48.4	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-40.6	174.3	0	0	0	0	0	112.3	L65 A143 F144 R145 N150 R151	L65-A147 HydrophobicContact CD1-CB 3.61Å; L65-A147 HydrophobicContact CD2-CB 3.88Å; L65-A147 HydrophobicContact CG-CB 4.42Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 3.19Å; F144-A147 PolarHBondContact O-N 3.26Å; R145-A147 VanDerWaalsContact C-N 3.35Å; R145-A147 PolarHBondContact O-N 3.47Å; A147-N150 PolarHBondContact O-N 2.86Å; A147-R151 WeakPolarHBondContact O-CG 3.38Å; A147-R151 PolarHBondContact O-N 3.01Å; A147-R151 VanDerWaalsContact O-N 3.11Å
148	C	92.2	Very high	92	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-44.9	174.7	-69.2	0	0	0	0	111.6	F144 R145 N150 R151 I152 I205	F144-C148 PolarHBondContact O-N 3.23Å; F144-C148 PolarHBondContact O-SG 3.29Å; R145-C148 PolarHBondContact O-N 3.25Å; C148-N150 VanDerWaalsContact C-N 3.33Å; C148-N150 PolarHBondContact O-N 2.81Å; C148-R151 WeakPolarHBondContact O-CB 3.48Å; C148-R151 PolarHBondContact O-N 3.47Å; C148-R151 VanDerWaalsContact O-N 3.11Å; C148-I152 WeakPolarHBondContact O-CG1 3.34Å; C148-I152 PolarHBondContact O-N 3.33Å; C148-I205 HydrophobicContact CB-CD1 3.8Å; C148-I205 HydrophobicContact CB-CG1 3.64Å
149	K	93.3	Very high	91.5	Very high	24 Å²	24	50.6 Å²	50.6	10%	0.104	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-47.4	174.7	179.6	-175.3	178.4	-170.8	0	111.5	R145 D146 R151 I152 K153 N165 L168 E169 L172	R145-K149 PolarHBondContact O-N 2.96Å; D146-K149 PolarHBondContact O-N 3.3Å; K149-R151 VanDerWaalsContact C-N 3.27Å; K149-R151 PolarHBondContact O-N 3.12Å; K149-I152 PolarHBondContact O-N 3.35Å; K149-K153 PolarHBondContact O-N 2.88Å; K149-N165 PolarHBondContact NZ-O 3.01Å; K149-L168 HydrophobicContact CG-CD2 3.69Å; K149-L168 HydrophobicContact CG-CG 4.23Å; K149-E169 VanDerWaalsContact CD-OE1 3.25Å; K149-E169 WeakPolarHBondContact CD-OE1 3.43Å; K149-E169 WeakPolarHBondContact CE-OE1 3.36Å; K149-E169 IonicContact NZ-OE1 3.22Å; K149-E169 PolarHBondContact NZ-OE1 2.95Å; K149-L172 HydrophobicContact CB-CD1 4.27Å; K149-L172 HydrophobicContact CD-CD1 4.39Å; K149-L172 HydrophobicContact CG-CD1 3.98Å
150	N	92.6	Very high	90.9	Very high	99 Å²	99	53 Å²	53	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-33.7	178.5	-74.4	-36.6	0	0	0	112.7	D146 A147 C148 R154	D146-N150 WeakPolarHBondContact O-CB 3.42Å; D146-N150 VanDerWaalsContact O-CG 3.31Å; D146-N150 PolarHBondContact O-N 2.97Å; D146-N150 PolarHBondContact O-ND2 3.37Å; D146-N150 VanDerWaalsContact O-ND2 3.1Å; A147-N150 PolarHBondContact O-N 2.86Å; C148-N150 VanDerWaalsContact C-N 3.33Å; C148-N150 PolarHBondContact O-N 2.81Å; N150-R154 PolarHBondContact O-N 3.39Å; N150-R154 VanDerWaalsContact O-N 3.07Å
151	R	90.5	Very high	90.2	Very high	76 Å²	76	55.1 Å²	55.1	29%	0.287	27%	0.271	S	S	.	.	H	α-helix	trans	-67.4	-46.3	173.2	-76.3	-179.2	167.7	-132.6	-22.3	112.8	L65 A147 C148 K149 K153 R154 Q155	L65-R151 VanDerWaalsContact C-NH2 3.28Å; L65-R151 PolarHBondContact O-NH1 3.34Å; L65-R151 PolarHBondContact O-NH2 2.95Å; A147-R151 WeakPolarHBondContact O-CG 3.38Å; A147-R151 PolarHBondContact O-N 3.01Å; A147-R151 VanDerWaalsContact O-N 3.11Å; C148-R151 WeakPolarHBondContact O-CB 3.48Å; C148-R151 PolarHBondContact O-N 3.47Å; C148-R151 VanDerWaalsContact O-N 3.11Å; K149-R151 VanDerWaalsContact C-N 3.27Å; K149-R151 PolarHBondContact O-N 3.12Å; R151-K153 VanDerWaalsContact C-N 3.29Å; R151-K153 PolarHBondContact O-N 3.01Å; R151-R154 PolarHBondContact O-N 3.32Å; R151-R154 VanDerWaalsContact O-N 3.15Å; R151-Q155 WeakPolarHBondContact O-CG 3.47Å; R151-Q155 PolarHBondContact O-N 3.01Å
152	I	90.5	Very high	89.7	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-47.6	176.4	-67.8	169.7	0	0	0	109.5	C148 K149 R154 Q155 M156 L168 L172 F180 I198 R201 H202 I205	C148-I152 WeakPolarHBondContact O-CG1 3.34Å; C148-I152 PolarHBondContact O-N 3.33Å; K149-I152 PolarHBondContact O-N 3.35Å; I152-R154 VanDerWaalsContact C-N 3.32Å; I152-R154 PolarHBondContact O-N 2.85Å; I152-Q155 PolarHBondContact O-N 3.22Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; I152-M156 HydrophobicContact CG2-CG 4.34Å; I152-M156 VanDerWaalsContact O-CG 3.29Å; I152-M156 WeakPolarHBondContact O-CG 2.99Å; I152-M156 PolarHBondContact O-N 2.97Å; I152-L168 HydrophobicContact CG2-CD1 3.63Å; I152-L172 HydrophobicContact CD1-CD2 3.83Å; I152-F180 HydrophobicContact CG2-CD1 4.5Å; I152-F180 HydrophobicContact CG2-CE1 3.86Å; I152-F180 HydrophobicContact CG2-CZ 4.41Å; I152-I198 HydrophobicContact CG1-CG2 4.46Å; I152-I198 HydrophobicContact CG2-CG1 4.19Å; I152-I198 HydrophobicContact CG2-CG2 3.91Å; I152-R201 HydrophobicContact CD1-CB 3.84Å; I152-R201 HydrophobicContact CG1-CB 3.66Å; I152-R201 HydrophobicContact CG1-CG 4.49Å; I152-H202 HydrophobicContact CD1-CB 4.42Å; I152-I205 HydrophobicContact CD1-CD1 3.74Å
153	K	91.8	Very high	89.4	Confident	48 Å²	48	62.3 Å²	62.3	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-54.3	-48	175.7	-170.1	177.2	179.1	178.5	0	112.1	K149 R151 Q155 M156 E157 I163 N165 L168	K149-K153 PolarHBondContact O-N 2.88Å; R151-K153 VanDerWaalsContact C-N 3.29Å; R151-K153 PolarHBondContact O-N 3.01Å; K153-Q155 PolarHBondContact O-N 2.61Å; K153-M156 WeakPolarHBondContact O-CB 3.43Å; K153-M156 PolarHBondContact O-N 3.39Å; K153-E157 WeakPolarHBondContact CE-OE1 3.42Å; K153-E157 WeakPolarHBondContact O-CG 3.33Å; K153-E157 PolarHBondContact O-N 2.88Å; K153-I163 HydrophobicContact CG-CG2 4.29Å; K153-N165 PolarHBondContact NZ-OD1 2.68Å; K153-L168 HydrophobicContact CB-CD2 3.67Å; K153-L168 HydrophobicContact CG-CD2 4.3Å
154	R	90	Very high	89.2	Confident	178 Å²	178	61.9 Å²	61.9	67%	0.672	29%	0.292	S	S	*	.	H	α-helix	trans	-63.6	-38.6	178.9	-176.1	167.7	176.9	162.5	-1.6	112.5	N150 R151 I152 E157 I158	N150-R154 PolarHBondContact O-N 3.39Å; N150-R154 VanDerWaalsContact O-N 3.07Å; R151-R154 PolarHBondContact O-N 3.32Å; R151-R154 VanDerWaalsContact O-N 3.15Å; I152-R154 VanDerWaalsContact C-N 3.32Å; I152-R154 PolarHBondContact O-N 2.85Å; R154-E157 PolarHBondContact O-N 3.23Å; R154-I158 HydrophobicContact CG-CD1 4.22Å; R154-I158 WeakPolarHBondContact O-CD1 3.49Å; R154-I158 VanDerWaalsContact O-CG1 3.25Å; R154-I158 WeakPolarHBondContact O-CG1 3.32Å; R154-I158 PolarHBondContact O-N 3.37Å
155	Q	87.6	Confident	89	Confident	38 Å²	38	65.7 Å²	65.7	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-35.6	175.9	-69.9	-64.5	-4.4	0	0	112.4	R151 I152 K153 I158 A159 S194 D197 I198	R151-Q155 WeakPolarHBondContact O-CG 3.47Å; R151-Q155 PolarHBondContact O-N 3.01Å; I152-Q155 PolarHBondContact O-N 3.22Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; K153-Q155 PolarHBondContact O-N 2.61Å; Q155-I158 PolarHBondContact O-N 2.8Å; Q155-A159 PolarHBondContact O-N 3.29Å; Q155-S194 PolarHBondContact OE1-OG 2.99Å; Q155-D197 HydrophobicContact CG-CB 4.31Å; Q155-D197 WeakPolarHBondContact CG-OD2 3.17Å; Q155-D197 PolarHBondContact NE2-OD2 2.99Å; Q155-I198 HydrophobicContact CB-CD1 3.7Å; Q155-I198 HydrophobicContact CB-CG1 3.56Å; Q155-I198 HydrophobicContact CG-CG1 4.33Å
156	M	87.1	Confident	88.8	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64	-43.5	172.8	-67.2	-70.4	-79.4	0	0	111.3	I152 K153 I158 A159 E160 R161 I163 M171 F180 E183 I184 I198	I152-M156 HydrophobicContact CG2-CG 4.34Å; I152-M156 VanDerWaalsContact O-CG 3.29Å; I152-M156 WeakPolarHBondContact O-CG 2.99Å; I152-M156 PolarHBondContact O-N 2.97Å; K153-M156 WeakPolarHBondContact O-CB 3.43Å; K153-M156 PolarHBondContact O-N 3.39Å; M156-I158 VanDerWaalsContact C-N 3.33Å; M156-I158 PolarHBondContact O-N 3.32Å; M156-A159 CarbonylContact O-C 3.59Å; M156-A159 PolarHBondContact O-N 2.93Å; M156-A159 VanDerWaalsContact O-N 3.14Å; M156-E160 PolarHBondContact O-N 3.45Å; M156-R161 CarbonylContact C-O 3.47Å; M156-R161 VanDerWaalsContact C-O 3.27Å; M156-R161 HydrophobicContact CE-CB 4.46Å; M156-R161 HydrophobicContact CE-CG 4.14Å; M156-R161 PolarHBondContact O-N 3.39Å; M156-R161 VanDerWaalsContact O-O 3.13Å; M156-I163 HydrophobicContact CB-CG2 4.15Å; M156-I163 HydrophobicContact CE-CD1 4.38Å; M156-M171 HydrophobicContact CE-CE 4.11Å; M156-F180 HydrophobicContact SD-CD1 4.22Å; M156-E183 HydrophobicContact CE-CB 4.22Å; M156-I184 HydrophobicContact SD-CD1 3.5Å; M156-I184 WeakPolarHBondContact SD-CD1 3.5Å; M156-I184 HydrophobicContact SD-CG1 3.82Å; M156-I198 HydrophobicContact CG-CD1 3.91Å; M156-I198 HydrophobicContact SD-CD1 3.63Å
157	E	88.1	Confident	88.6	Confident	102 Å²	102	72.2 Å²	72.2	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-37.1	175.5	-71.7	173.4	179.4	0	0	112.4	K153 R154 A159 E160	K153-E157 WeakPolarHBondContact CE-OE1 3.42Å; K153-E157 WeakPolarHBondContact O-CG 3.33Å; K153-E157 PolarHBondContact O-N 2.88Å; R154-E157 PolarHBondContact O-N 3.23Å; E157-A159 VanDerWaalsContact C-N 3.32Å; E157-E160 PolarHBondContact O-N 3.02Å; E157-E160 VanDerWaalsContact O-N 3.16Å
158	I	85.8	Confident	88.5	Confident	68 Å²	68	71 Å²	71	35%	0.349	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-35	173.9	-70.3	164.5	0	0	0	111.5	R154 Q155 M156 E160 Q190	R154-I158 HydrophobicContact CG-CD1 4.22Å; R154-I158 WeakPolarHBondContact O-CD1 3.49Å; R154-I158 VanDerWaalsContact O-CG1 3.25Å; R154-I158 WeakPolarHBondContact O-CG1 3.32Å; R154-I158 PolarHBondContact O-N 3.37Å; Q155-I158 PolarHBondContact O-N 2.8Å; M156-I158 VanDerWaalsContact C-N 3.33Å; M156-I158 PolarHBondContact O-N 3.32Å; I158-E160 PolarHBondContact O-N 3.48Å; I158-Q190 HydrophobicContact CG2-CG 4.37Å; I158-Q190 VanDerWaalsContact CG2-NE2 3.26Å
159	A	82.9	Confident	88.4	Confident	25 Å²	25	72.8 Å²	72.8	21%	0.207	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	16.7	173.8	0	0	0	0	0	113.2	Q155 M156 E157 R161 I184	Q155-A159 PolarHBondContact O-N 3.29Å; M156-A159 CarbonylContact O-C 3.59Å; M156-A159 PolarHBondContact O-N 2.93Å; M156-A159 VanDerWaalsContact O-N 3.14Å; E157-A159 VanDerWaalsContact C-N 3.32Å; A159-R161 PolarHBondContact O-N 3.21Å; A159-I184 HydrophobicContact CB-CD1 4.42Å; A159-I184 HydrophobicContact CB-CG1 4.1Å; A159-I184 HydrophobicContact CB-CG2 3.98Å
160	E	80.5	Confident	88.2	Confident	186 Å²	186	76 Å²	76	87%	0.869	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	19.3	179.5	-56.3	-174.4	168.4	0	0	114.8	M156 E157 I158	M156-E160 PolarHBondContact O-N 3.45Å; E157-E160 PolarHBondContact O-N 3.02Å; E157-E160 VanDerWaalsContact O-N 3.16Å; I158-E160 PolarHBondContact O-N 3.48Å
161	R	81.2	Confident	88	Confident	54 Å²	54	71.9 Å²	71.9	20%	0.204	34%	0.336	C	S	.	.			trans	-105.1	110	175.1	-172.4	158.7	-172	-90.3	-7.6	111.5	M156 A159 I163 E183	M156-R161 CarbonylContact C-O 3.47Å; M156-R161 VanDerWaalsContact C-O 3.27Å; M156-R161 HydrophobicContact CE-CB 4.46Å; M156-R161 HydrophobicContact CE-CG 4.14Å; M156-R161 PolarHBondContact O-N 3.39Å; M156-R161 VanDerWaalsContact O-O 3.13Å; A159-R161 PolarHBondContact O-N 3.21Å; R161-I163 PolarHBondContact O-N 2.98Å; R161-E183 WeakPolarHBondContact CD-O 3.48Å; R161-E183 VanDerWaalsContact CZ-CG 3.47Å; R161-E183 IonicContact CZ-OE1 2.81Å; R161-E183 IonicContact CZ-OE2 2.64Å; R161-E183 IonicContact NE-OE2 3.93Å; R161-E183 PolarHBondContact NE-OE2 2.78Å; R161-E183 IonicContact NH1-OE1 3.48Å; R161-E183 IonicContact NH1-OE2 2.79Å; R161-E183 IonicContact NH2-OE1 2.64Å; R161-E183 PolarHBondContact NH2-OE1 3.1Å; R161-E183 IonicContact NH2-OE2 3.8Å; R161-E183 PolarHBondContact NH2-OE2 2.91Å
162	K	84.3	Confident	88	Confident	198 Å²	198	68.2 Å²	68.2	86%	0.861	32%	0.323	S	S	*	.			trans	-76.9	123.4	169.8	-66.8	-174.6	-179	179.9	0	109
163	I	86.6	Confident	87.8	Confident	10 Å²	10	75 Å²	75	5%	0.051	35%	0.354	C	S	.	.			trans	-127.2	136	176.8	-168	171.5	0	0	0	109.6	K153 M156 R161 E167 L168 M171	K153-I163 HydrophobicContact CG-CG2 4.29Å; M156-I163 HydrophobicContact CB-CG2 4.15Å; M156-I163 HydrophobicContact CE-CD1 4.38Å; R161-I163 PolarHBondContact O-N 2.98Å; I163-E167 HydrophobicContact CD1-CB 4.09Å; I163-E167 HydrophobicContact CG1-CB 3.64Å; I163-L168 HydrophobicContact CD1-CB 3.86Å; I163-L168 HydrophobicContact CD1-CD1 4.25Å; I163-L168 HydrophobicContact CG1-CB 4.22Å; I163-L168 HydrophobicContact CG2-CB 4.49Å; I163-M171 HydrophobicContact CD1-CG 4.44Å; I163-M171 HydrophobicContact CD1-SD 3.22Å; I163-M171 WeakPolarHBondContact CD1-SD 3.24Å
164	S	90.9	Very high	87.4	Confident	51 Å²	51	75.5 Å²	75.5	36%	0.357	36%	0.364	S	S	.	.			trans	-71.4	163.5	172.6	69.4	0	0	0	0	111.1	E166 E167 L168	S164-E166 PolarHBondContact O-N 2.67Å; S164-E167 VanDerWaalsContact CB-OE2 3.3Å; S164-E167 WeakPolarHBondContact CB-OE2 3.41Å; S164-E167 PolarHBondContact N-OE2 3.42Å; S164-E167 WeakPolarHBondContact OG-CB 3.47Å; S164-E167 WeakPolarHBondContact OG-CG 3.41Å; S164-E167 PolarHBondContact OG-N 3.46Å; S164-E167 VanDerWaalsContact OG-N 3.13Å; S164-E167 PolarHBondContact OG-OE2 3.33Å; S164-L168 WeakPolarHBondContact O-CB 3.5Å; S164-L168 PolarHBondContact O-N 3.35Å; S164-L168 VanDerWaalsContact O-N 3.13Å
165	N	90.5	Very high	86.9	Confident	86 Å²	86	68.7 Å²	68.7	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-66.2	-26.9	176.6	-77	-8.5	0	0	0	112.7	K149 K153 E169	K149-N165 PolarHBondContact NZ-O 3.01Å; K153-N165 PolarHBondContact NZ-OD1 2.68Å; N165-E169 VanDerWaalsContact O-CG 3.31Å; N165-E169 WeakPolarHBondContact O-CG 3.37Å; N165-E169 PolarHBondContact O-N 3.47Å
166	E	91.1	Very high	86.6	Confident	149 Å²	149	70.8 Å²	70.8	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-78.3	-51	-179.4	-173	172.9	-170.9	0	0	110.2	S164 L168 E169 D170	S164-E166 PolarHBondContact O-N 2.67Å; E166-L168 PolarHBondContact O-N 3.11Å; E166-E169 WeakPolarHBondContact O-CA 3.26Å; E166-E169 WeakPolarHBondContact O-CB 3.34Å; E166-E169 PolarHBondContact O-N 2.94Å; E166-D170 PolarHBondContact O-N 2.66Å
167	E	89.3	Confident	86.2	Confident	97 Å²	97	73.6 Å²	73.6	45%	0.453	38%	0.38	S	S	.	.	H	α-helix	trans	-57.1	-36.5	174.2	-69.7	161.7	148.2	0	0	112.2	I163 S164 D170 M171	I163-E167 HydrophobicContact CD1-CB 4.09Å; I163-E167 HydrophobicContact CG1-CB 3.64Å; S164-E167 VanDerWaalsContact CB-OE2 3.3Å; S164-E167 WeakPolarHBondContact CB-OE2 3.41Å; S164-E167 PolarHBondContact N-OE2 3.42Å; S164-E167 WeakPolarHBondContact OG-CB 3.47Å; S164-E167 WeakPolarHBondContact OG-CG 3.41Å; S164-E167 PolarHBondContact OG-N 3.46Å; S164-E167 VanDerWaalsContact OG-N 3.13Å; S164-E167 PolarHBondContact OG-OE2 3.33Å; E167-D170 PolarHBondContact O-N 3.47Å; E167-M171 VanDerWaalsContact O-CG 3.26Å; E167-M171 WeakPolarHBondContact O-CG 3.21Å; E167-M171 PolarHBondContact O-N 3.42Å
168	L	90.8	Very high	85.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-67.7	-36.2	175.8	-179.7	58.5	0	0	0	112.2	K149 I152 K153 I163 S164 E166 M171 L172 F180	K149-L168 HydrophobicContact CG-CD2 3.69Å; K149-L168 HydrophobicContact CG-CG 4.23Å; I152-L168 HydrophobicContact CG2-CD1 3.63Å; K153-L168 HydrophobicContact CB-CD2 3.67Å; K153-L168 HydrophobicContact CG-CD2 4.3Å; I163-L168 HydrophobicContact CD1-CB 3.86Å; I163-L168 HydrophobicContact CD1-CD1 4.25Å; I163-L168 HydrophobicContact CG1-CB 4.22Å; I163-L168 HydrophobicContact CG2-CB 4.49Å; S164-L168 WeakPolarHBondContact O-CB 3.5Å; S164-L168 PolarHBondContact O-N 3.35Å; S164-L168 VanDerWaalsContact O-N 3.13Å; E166-L168 PolarHBondContact O-N 3.11Å; L168-M171 PolarHBondContact O-N 3.07Å; L168-L172 HydrophobicContact CD1-CG 4.44Å; L168-L172 HydrophobicContact CG-CD1 4.36Å; L168-L172 VanDerWaalsContact O-CG 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.14Å; L168-L172 PolarHBondContact O-N 3.05Å; L168-F180 HydrophobicContact CD1-CE1 4.19Å
169	E	91.4	Very high	85.7	Confident	38 Å²	38	69.1 Å²	69.1	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-66.4	-46.1	174.1	-69.6	-70	-172.6	0	0	110.8	R145 K149 N165 E166 M171 L172 E173	R145-E169 IonicContact CZ-OE1 3.59Å; R145-E169 IonicContact CZ-OE2 2.77Å; R145-E169 IonicContact NH1-OE1 2.61Å; R145-E169 PolarHBondContact NH1-OE1 3.13Å; R145-E169 IonicContact NH1-OE2 2.92Å; R145-E169 PolarHBondContact NH1-OE2 2.68Å; R145-E169 VanDerWaalsContact NH1-OE2 3.13Å; R145-E169 IonicContact NH2-OE1 3.71Å; R145-E169 IonicContact NH2-OE2 2.64Å; R145-E169 PolarHBondContact NH2-OE2 3.48Å; K149-E169 VanDerWaalsContact CD-OE1 3.25Å; K149-E169 WeakPolarHBondContact CD-OE1 3.43Å; K149-E169 WeakPolarHBondContact CE-OE1 3.36Å; K149-E169 IonicContact NZ-OE1 3.22Å; K149-E169 PolarHBondContact NZ-OE1 2.95Å; N165-E169 VanDerWaalsContact O-CG 3.31Å; N165-E169 WeakPolarHBondContact O-CG 3.37Å; N165-E169 PolarHBondContact O-N 3.47Å; E166-E169 WeakPolarHBondContact O-CA 3.26Å; E166-E169 WeakPolarHBondContact O-CB 3.34Å; E166-E169 PolarHBondContact O-N 2.94Å; E169-M171 PolarHBondContact O-N 3.3Å; E169-L172 CarbonylContact O-C 3.59Å; E169-L172 WeakPolarHBondContact O-CA 3.26Å; E169-L172 WeakPolarHBondContact O-CB 3.49Å; E169-L172 PolarHBondContact O-N 3.44Å; E169-E173 WeakPolarHBondContact O-CB 3.46Å; E169-E173 WeakPolarHBondContact O-CG 3.42Å; E169-E173 PolarHBondContact O-N 2.92Å
170	D	89	Confident	85.7	Confident	93 Å²	93	67.9 Å²	67.9	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-56.7	-39.6	176.7	-64.1	-19.2	0	0	0	111.4	E166 E167 S174	E166-D170 PolarHBondContact O-N 2.66Å; E167-D170 PolarHBondContact O-N 3.47Å; D170-S174 PolarHBondContact O-N 3.04Å
171	M	89	Confident	85.7	Confident	11 Å²	11	61.9 Å²	61.9	5%	0.054	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-40.9	175.1	-73.8	179.1	72.3	0	0	112.4	M156 I163 E167 L168 E169 S174 I179 F180 E183	M156-M171 HydrophobicContact CE-CE 4.11Å; I163-M171 HydrophobicContact CD1-CG 4.44Å; I163-M171 HydrophobicContact CD1-SD 3.22Å; I163-M171 WeakPolarHBondContact CD1-SD 3.24Å; E167-M171 VanDerWaalsContact O-CG 3.26Å; E167-M171 WeakPolarHBondContact O-CG 3.21Å; E167-M171 PolarHBondContact O-N 3.42Å; L168-M171 PolarHBondContact O-N 3.07Å; E169-M171 PolarHBondContact O-N 3.3Å; M171-S174 PolarHBondContact O-OG 3.05Å; M171-I179 HydrophobicContact CB-CD1 4.32Å; M171-I179 HydrophobicContact CB-CG2 4.15Å; M171-I179 HydrophobicContact CE-CB 4.39Å; M171-I179 HydrophobicContact CE-CG1 4.06Å; M171-I179 HydrophobicContact CE-CG2 3.81Å; M171-I179 HydrophobicContact CG-CD1 3.8Å; M171-I179 HydrophobicContact CG-CG1 4.16Å; M171-I179 HydrophobicContact CG-CG2 4.34Å; M171-F180 HydrophobicContact CB-CE1 4.22Å; M171-F180 HydrophobicContact CB-CZ 4.19Å; M171-F180 HydrophobicContact CE-CD1 3.36Å; M171-F180 HydrophobicContact CE-CE1 3.54Å; M171-F180 HydrophobicContact CE-CG 4.09Å; M171-F180 HydrophobicContact CE-CZ 4.37Å; M171-F180 HydrophobicContact SD-CE1 4.46Å; M171-E183 HydrophobicContact CE-CB 4.41Å; M171-E183 HydrophobicContact CE-CG 4.05Å
172	L	90.4	Very high	85.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-43	176.9	-68.4	171.5	0	0	0	111.6	K149 I152 L168 E169 S174 G175 F180 I205 M206	K149-L172 HydrophobicContact CB-CD1 4.27Å; K149-L172 HydrophobicContact CD-CD1 4.39Å; K149-L172 HydrophobicContact CG-CD1 3.98Å; I152-L172 HydrophobicContact CD1-CD2 3.83Å; L168-L172 HydrophobicContact CD1-CG 4.44Å; L168-L172 HydrophobicContact CG-CD1 4.36Å; L168-L172 VanDerWaalsContact O-CG 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.14Å; L168-L172 PolarHBondContact O-N 3.05Å; E169-L172 CarbonylContact O-C 3.59Å; E169-L172 WeakPolarHBondContact O-CA 3.26Å; E169-L172 WeakPolarHBondContact O-CB 3.49Å; E169-L172 PolarHBondContact O-N 3.44Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.91Å; L172-G175 PolarHBondContact O-N 3.19Å; L172-F180 HydrophobicContact CD2-CZ 4.08Å; L172-I205 HydrophobicContact CD1-CD1 4.03Å; L172-I205 HydrophobicContact CD2-CD1 3.73Å; L172-M206 WeakPolarHBondContact O-CE 3.01Å
173	E	85.9	Confident	85	Confident	143 Å²	143	60.7 Å²	60.7	67%	0.668	33%	0.331	S	S	*	.	H	α-helix	trans	-65.8	-27.6	179.1	-72.1	-175.4	-174.9	0	0	112.8	E169 G175	E169-E173 WeakPolarHBondContact O-CB 3.46Å; E169-E173 WeakPolarHBondContact O-CG 3.42Å; E169-E173 PolarHBondContact O-N 2.92Å; E173-G175 PolarHBondContact O-N 2.76Å; E173-G175 VanDerWaalsContact O-N 3.13Å
174	S	84.1	Confident	84.5	Confident	58 Å²	58	60.5 Å²	60.5	41%	0.406	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	175.6	81	0	0	0	0	113.2	D170 M171 L172 N176	D170-S174 PolarHBondContact O-N 3.04Å; M171-S174 PolarHBondContact O-OG 3.05Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.91Å; S174-N176 PolarHBondContact O-N 3.39Å; S174-N176 PolarHBondContact OG-N 2.96Å
175	G	79.6	Confident	83.6	Confident	36 Å²	36	65.1 Å²	65.1	37%	0.371	35%	0.347	S	S	.	.			trans	62.5	2.7	-176.1	0	0	0	0	0	114.7	L172 E173 P177	L172-G175 PolarHBondContact O-N 3.19Å; E173-G175 PolarHBondContact O-N 2.76Å; E173-G175 VanDerWaalsContact O-N 3.13Å; G175-P177 WeakPolarHBondContact O-CD 3.48Å
176	N	81.2	Confident	82.8	Confident	82 Å²	82	63.5 Å²	63.5	44%	0.439	34%	0.34	S	S	.	.			trans	-97.9	105.1	-176.4	-177.5	5.7	0	0	0	110.5	S174 A178 I179	S174-N176 PolarHBondContact O-N 3.39Å; S174-N176 PolarHBondContact OG-N 2.96Å; N176-A178 PolarHBondContact O-N 2.9Å; N176-A178 VanDerWaalsContact O-N 3.1Å; N176-A178 WeakPolarHBondContact OD1-CB 3.44Å; N176-A178 PolarHBondContact OD1-N 3.29Å; N176-A178 VanDerWaalsContact OD1-N 3.13Å; N176-I179 WeakPolarHBondContact O-CB 3.5Å; N176-I179 WeakPolarHBondContact O-CG2 3.23Å; N176-I179 PolarHBondContact O-N 3.46Å; N176-I179 VanDerWaalsContact O-N 3.11Å
177	P	77.5	Confident	82.1	Confident	58 Å²	58	62.9 Å²	62.9	38%	0.377	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26	-179	25.1	-33.9	0	0	0	113.2	G175 I179 F180	G175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-I179 PolarHBondContact O-N 3.27Å; P177-I179 VanDerWaalsContact O-N 3.14Å; P177-F180 PolarHBondContact O-N 3.49Å
178	A	81.3	Confident	81.8	Confident	38 Å²	38	62 Å²	62	31%	0.314	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-17.5	-179.9	0	0	0	0	0	113.4	N176 F180 T181 Q182	N176-A178 PolarHBondContact O-N 2.9Å; N176-A178 VanDerWaalsContact O-N 3.1Å; N176-A178 WeakPolarHBondContact OD1-CB 3.44Å; N176-A178 PolarHBondContact OD1-N 3.29Å; N176-A178 VanDerWaalsContact OD1-N 3.13Å; A178-F180 PolarHBondContact O-N 3.44Å; A178-T181 WeakPolarHBondContact O-CB 3.44Å; A178-T181 PolarHBondContact O-N 3.36Å; A178-T181 VanDerWaalsContact O-N 3.15Å; A178-Q182 WeakPolarHBondContact O-CG 3.33Å; A178-Q182 PolarHBondContact O-N 3.03Å
179	I	82.1	Confident	81.5	Confident	38 Å²	38	70.2 Å²	70.2	20%	0.195	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-32.8	176.3	-158.1	165.4	0	0	0	111.3	M171 N176 P177 E183	M171-I179 HydrophobicContact CB-CD1 4.32Å; M171-I179 HydrophobicContact CB-CG2 4.15Å; M171-I179 HydrophobicContact CE-CB 4.39Å; M171-I179 HydrophobicContact CE-CG1 4.06Å; M171-I179 HydrophobicContact CE-CG2 3.81Å; M171-I179 HydrophobicContact CG-CD1 3.8Å; M171-I179 HydrophobicContact CG-CG1 4.16Å; M171-I179 HydrophobicContact CG-CG2 4.34Å; N176-I179 WeakPolarHBondContact O-CB 3.5Å; N176-I179 WeakPolarHBondContact O-CG2 3.23Å; N176-I179 PolarHBondContact O-N 3.46Å; N176-I179 VanDerWaalsContact O-N 3.11Å; P177-I179 PolarHBondContact O-N 3.27Å; P177-I179 VanDerWaalsContact O-N 3.14Å; I179-E183 WeakPolarHBondContact O-CG 3.44Å; I179-E183 PolarHBondContact O-N 3.29Å
180	F	82.3	Confident	81.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-73.9	-35	176.1	-60.4	-73.5	0	0	0	111.9	I152 M156 L168 M171 L172 P177 A178 E183 I184 I198 H202	I152-F180 HydrophobicContact CG2-CD1 4.5Å; I152-F180 HydrophobicContact CG2-CE1 3.86Å; I152-F180 HydrophobicContact CG2-CZ 4.41Å; M156-F180 HydrophobicContact SD-CD1 4.22Å; L168-F180 HydrophobicContact CD1-CE1 4.19Å; M171-F180 HydrophobicContact CB-CE1 4.22Å; M171-F180 HydrophobicContact CB-CZ 4.19Å; M171-F180 HydrophobicContact CE-CD1 3.36Å; M171-F180 HydrophobicContact CE-CE1 3.54Å; M171-F180 HydrophobicContact CE-CG 4.09Å; M171-F180 HydrophobicContact CE-CZ 4.37Å; M171-F180 HydrophobicContact SD-CE1 4.46Å; L172-F180 HydrophobicContact CD2-CZ 4.08Å; P177-F180 PolarHBondContact O-N 3.49Å; A178-F180 PolarHBondContact O-N 3.44Å; F180-E183 PolarHBondContact O-N 2.96Å; F180-I184 PolarHBondContact O-N 3.28Å; F180-I184 VanDerWaalsContact O-N 3.15Å; F180-I198 HydrophobicContact CB-CG2 3.77Å; F180-I198 HydrophobicContact CD1-CG2 3.4Å; F180-I198 HydrophobicContact CD2-CG2 3.81Å; F180-I198 HydrophobicContact CE1-CG2 3.88Å; F180-I198 HydrophobicContact CE2-CG2 4.27Å; F180-I198 HydrophobicContact CG-CG2 3.36Å; F180-I198 HydrophobicContact CZ-CG2 4.3Å; F180-H202 HydrophobicContact CE2-CB 4.06Å; F180-H202 AromaticContact CE2-CG 3.82Å
181	T	80.5	Confident	80.8	Confident	60 Å²	60	70.1 Å²	70.1	37%	0.368	38%	0.379	S	S	.	.	H	α-helix	trans	-66.7	-35.7	176.4	-38.3	0	0	0	0	112.9	A178 E183 L195	A178-T181 WeakPolarHBondContact O-CB 3.44Å; A178-T181 PolarHBondContact O-N 3.36Å; A178-T181 VanDerWaalsContact O-N 3.15Å; T181-E183 PolarHBondContact O-N 3.43Å; T181-L195 HydrophobicContact CG2-CD1 3.91Å
182	Q	77.3	Confident	80.6	Confident	150 Å²	150	75.6 Å²	75.6	70%	0.701	40%	0.403	S	S	*	.	H	α-helix	trans	-67.8	-29	177.2	-70.9	174.8	10.9	0	0	112.3	A178	A178-Q182 WeakPolarHBondContact O-CG 3.33Å; A178-Q182 PolarHBondContact O-N 3.03Å
183	E	74.7	Confident	80.4	Confident	77 Å²	77	81.7 Å²	81.7	36%	0.36	43%	0.431	S	S	.	.	H	α-helix	trans	-95.7	-17.7	-170.4	-68.7	-68.1	-161.7	0	0	113.5	M156 R161 M171 I179 F180 T181	M156-E183 HydrophobicContact CE-CB 4.22Å; R161-E183 WeakPolarHBondContact CD-O 3.48Å; R161-E183 VanDerWaalsContact CZ-CG 3.47Å; R161-E183 IonicContact CZ-OE1 2.81Å; R161-E183 IonicContact CZ-OE2 2.64Å; R161-E183 IonicContact NE-OE2 3.93Å; R161-E183 PolarHBondContact NE-OE2 2.78Å; R161-E183 IonicContact NH1-OE1 3.48Å; R161-E183 IonicContact NH1-OE2 2.79Å; R161-E183 IonicContact NH2-OE1 2.64Å; R161-E183 PolarHBondContact NH2-OE1 3.1Å; R161-E183 IonicContact NH2-OE2 3.8Å; R161-E183 PolarHBondContact NH2-OE2 2.91Å; M171-E183 HydrophobicContact CE-CB 4.41Å; M171-E183 HydrophobicContact CE-CG 4.05Å; I179-E183 WeakPolarHBondContact O-CG 3.44Å; I179-E183 PolarHBondContact O-N 3.29Å; F180-E183 PolarHBondContact O-N 2.96Å; T181-E183 PolarHBondContact O-N 3.43Å
184	I	76	Confident	80.3	Confident	5 Å²	5	75 Å²	75	3%	0.026	40%	0.401	C	S	.	.	S	Bend	trans	-106	122.3	178.6	-67.3	166.8	0	0	0	109.7	M156 A159 F180 T186 A191 L195 I198	M156-I184 HydrophobicContact SD-CD1 3.5Å; M156-I184 WeakPolarHBondContact SD-CD1 3.5Å; M156-I184 HydrophobicContact SD-CG1 3.82Å; A159-I184 HydrophobicContact CB-CD1 4.42Å; A159-I184 HydrophobicContact CB-CG1 4.1Å; A159-I184 HydrophobicContact CB-CG2 3.98Å; F180-I184 PolarHBondContact O-N 3.28Å; F180-I184 VanDerWaalsContact O-N 3.15Å; I184-T186 PolarHBondContact O-N 3.1Å; I184-A191 HydrophobicContact CG2-CB 3.82Å; I184-L195 HydrophobicContact CB-CD1 4.48Å; I184-L195 HydrophobicContact CD1-CB 4.32Å; I184-I198 HydrophobicContact CD1-CD1 3.36Å
185	M	71.7	Confident	80.5	Confident	148 Å²	148	73.1 Å²	73.1	73%	0.729	39%	0.386	S	S	*	.			trans	-68.6	104.1	170.8	-62.8	-171	80.8	0	0	109.6	D187 A191	M185-D187 PolarHBondContact O-N 3.23Å; M185-A191 WeakPolarHBondContact O-CB 3.23Å
186	T	74.1	Confident	80.8	Confident	52 Å²	52	73.6 Å²	73.6	32%	0.319	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	17.4	-174.2	55.7	0	0	0	0	114.6	I184 T188 K192 L195	I184-T186 PolarHBondContact O-N 3.1Å; T186-T188 VanDerWaalsContact C-N 3.27Å; T186-T188 PolarHBondContact O-N 3.03Å; T186-K192 WeakPolarHBondContact O-CE 3.39Å; T186-L195 HydrophobicContact CG2-CD1 3.71Å
187	D	75.6	Confident	81	Confident	136 Å²	136	70.9 Å²	70.9	73%	0.727	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.5	-175	-66.1	-23.1	0	0	0	112.8	M185	M185-D187 PolarHBondContact O-N 3.23Å
188	T	82.4	Confident	81.5	Confident	78 Å²	78	68.1 Å²	68.1	48%	0.479	35%	0.354	S	S	.	.	S	Bend	trans	-102.7	148.8	178.7	72.1	0	0	0	0	111.7	T186 Q190 A191 K192	T186-T188 VanDerWaalsContact C-N 3.27Å; T186-T188 PolarHBondContact O-N 3.03Å; T188-Q190 PolarHBondContact O-N 3.37Å; T188-A191 PolarHBondContact O-N 3.12Å; T188-A191 VanDerWaalsContact OG1-CB 3.24Å; T188-A191 WeakPolarHBondContact OG1-CB 3.41Å; T188-A191 PolarHBondContact OG1-N 3.44Å; T188-K192 PolarHBondContact O-N 3.4Å; T188-K192 VanDerWaalsContact O-N 3.14Å
189	Q	84.7	Confident	81.8	Confident	174 Å²	174	69.4 Å²	69.4	81%	0.813	35%	0.353	S	S	*	.	H	α-helix	trans	-59.3	-33.6	172.4	-175	175.8	-2	0	0	111.6	K192 Q193	Q189-K192 PolarHBondContact O-N 3.03Å; Q189-Q193 PolarHBondContact O-N 3.05Å; Q189-Q193 VanDerWaalsContact O-N 3.08Å
190	Q	83.3	Confident	82	Confident	122 Å²	122	68.3 Å²	68.3	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-64.3	-46.4	175.9	-175.8	173.2	-5.8	0	0	111.8	I158 T188 K192 Q193 S194	I158-Q190 HydrophobicContact CG2-CG 4.37Å; I158-Q190 VanDerWaalsContact CG2-NE2 3.26Å; T188-Q190 PolarHBondContact O-N 3.37Å; Q190-K192 VanDerWaalsContact C-N 3.32Å; Q190-K192 PolarHBondContact O-N 2.9Å; Q190-Q193 PolarHBondContact O-N 3.3Å; Q190-S194 PolarHBondContact O-N 3.12Å; Q190-S194 PolarHBondContact O-OG 3.47Å
191	A	82.9	Confident	82.4	Confident	6 Å²	6	68.4 Å²	68.4	5%	0.05	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-40	177	0	0	0	0	0	112.2	I184 M185 T188 Q193 S194 L195	I184-A191 HydrophobicContact CG2-CB 3.82Å; M185-A191 WeakPolarHBondContact O-CB 3.23Å; T188-A191 PolarHBondContact O-N 3.12Å; T188-A191 VanDerWaalsContact OG1-CB 3.24Å; T188-A191 WeakPolarHBondContact OG1-CB 3.41Å; T188-A191 PolarHBondContact OG1-N 3.44Å; A191-Q193 PolarHBondContact O-N 3.15Å; A191-S194 PolarHBondContact O-N 2.91Å; A191-L195 VanDerWaalsContact O-CB 3.3Å; A191-L195 WeakPolarHBondContact O-CB 3.17Å; A191-L195 PolarHBondContact O-N 3.4Å
192	K	84.4	Confident	82.8	Confident	127 Å²	127	65.8 Å²	65.8	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-61.9	-41.2	174.3	-68.5	-177.6	-177.3	-177.9	0	112.5	T186 T188 Q189 Q190 A196	T186-K192 WeakPolarHBondContact O-CE 3.39Å; T188-K192 PolarHBondContact O-N 3.4Å; T188-K192 VanDerWaalsContact O-N 3.14Å; Q189-K192 PolarHBondContact O-N 3.03Å; Q190-K192 VanDerWaalsContact C-N 3.32Å; Q190-K192 PolarHBondContact O-N 2.9Å; K192-A196 PolarHBondContact O-N 3.07Å
193	Q	85.7	Confident	83.4	Confident	127 Å²	127	63.9 Å²	63.9	59%	0.593	33%	0.325	S	S	*	.	H	α-helix	trans	-67.9	-42.4	177.4	-172.4	62.8	47.3	0	0	111.9	Q189 Q190 A191 L195 A196 D197	Q189-Q193 PolarHBondContact O-N 3.05Å; Q189-Q193 VanDerWaalsContact O-N 3.08Å; Q190-Q193 PolarHBondContact O-N 3.3Å; A191-Q193 PolarHBondContact O-N 3.15Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-A196 PolarHBondContact O-N 3.03Å; Q193-D197 PolarHBondContact O-N 3.28Å; Q193-D197 VanDerWaalsContact O-N 3.09Å
194	S	85.7	Confident	84	Confident	4 Å²	4	60.9 Å²	60.9	3%	0.028	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-42.5	175.4	-71.4	0	0	0	0	111.6	Q155 Q190 A191 D197 I198	Q155-S194 PolarHBondContact OE1-OG 2.99Å; Q190-S194 PolarHBondContact O-N 3.12Å; Q190-S194 PolarHBondContact O-OG 3.47Å; A191-S194 PolarHBondContact O-N 2.91Å; S194-D197 PolarHBondContact O-N 2.9Å; S194-I198 WeakPolarHBondContact O-CB 3.38Å; S194-I198 WeakPolarHBondContact O-CD1 3.29Å; S194-I198 WeakPolarHBondContact O-CG1 3.32Å; S194-I198 PolarHBondContact O-N 3.35Å
195	L	86.8	Confident	84.8	Confident	18 Å²	18	60.6 Å²	60.6	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-43.6	175.5	-178.2	150.4	0	0	0	112	T181 I184 T186 A191 Q193 D197 I198 E199	T181-L195 HydrophobicContact CG2-CD1 3.91Å; I184-L195 HydrophobicContact CB-CD1 4.48Å; I184-L195 HydrophobicContact CD1-CB 4.32Å; T186-L195 HydrophobicContact CG2-CD1 3.71Å; A191-L195 VanDerWaalsContact O-CB 3.3Å; A191-L195 WeakPolarHBondContact O-CB 3.17Å; A191-L195 PolarHBondContact O-N 3.4Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; L195-D197 VanDerWaalsContact C-N 3.35Å; L195-D197 PolarHBondContact O-N 3.45Å; L195-I198 PolarHBondContact O-N 3.18Å; L195-E199 VanDerWaalsContact CD2-CD 3.47Å; L195-E199 HydrophobicContact CD2-CG 4.05Å; L195-E199 VanDerWaalsContact CD2-OE1 3.31Å; L195-E199 WeakPolarHBondContact CD2-OE1 3.19Å; L195-E199 WeakPolarHBondContact O-CG 3.37Å; L195-E199 PolarHBondContact O-N 3.19Å
196	A	85.9	Confident	85.7	Confident	46 Å²	46	56.3 Å²	56.3	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-40.3	176.7	0	0	0	0	0	112.6	K192 Q193 A200	K192-A196 PolarHBondContact O-N 3.07Å; Q193-A196 PolarHBondContact O-N 3.03Å; A196-A200 VanDerWaalsContact O-CB 3.23Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 2.8Å; A196-A200 VanDerWaalsContact O-N 3.14Å
197	D	85.7	Confident	86.3	Confident	25 Å²	25	58.5 Å²	58.5	13%	0.134	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-43.4	173.5	-171.3	24.3	0	0	0	110.8	Q155 Q193 S194 L195 A200 R201	Q155-D197 HydrophobicContact CG-CB 4.31Å; Q155-D197 WeakPolarHBondContact CG-OD2 3.17Å; Q155-D197 PolarHBondContact NE2-OD2 2.99Å; Q193-D197 PolarHBondContact O-N 3.28Å; Q193-D197 VanDerWaalsContact O-N 3.09Å; S194-D197 PolarHBondContact O-N 2.9Å; L195-D197 VanDerWaalsContact C-N 3.35Å; L195-D197 PolarHBondContact O-N 3.45Å; D197-A200 PolarHBondContact O-N 3.49Å; D197-R201 WeakPolarHBondContact O-CG 3.33Å; D197-R201 PolarHBondContact O-N 2.96Å; D197-R201 IonicContact OD1-NE 3.64Å; D197-R201 PolarHBondContact OD1-NE 3.46Å
198	I	88.3	Confident	87.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-51.2	177.6	-71.4	162.6	0	0	0	111.8	I152 Q155 M156 F180 I184 S194 L195 A200 R201 H202	I152-I198 HydrophobicContact CG1-CG2 4.46Å; I152-I198 HydrophobicContact CG2-CG1 4.19Å; 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 4.33Å; M156-I198 HydrophobicContact CG-CD1 3.91Å; M156-I198 HydrophobicContact SD-CD1 3.63Å; F180-I198 HydrophobicContact CB-CG2 3.77Å; F180-I198 HydrophobicContact CD1-CG2 3.4Å; F180-I198 HydrophobicContact CD2-CG2 3.81Å; F180-I198 HydrophobicContact CE1-CG2 3.88Å; F180-I198 HydrophobicContact CE2-CG2 4.27Å; F180-I198 HydrophobicContact CG-CG2 3.36Å; F180-I198 HydrophobicContact CZ-CG2 4.3Å; I184-I198 HydrophobicContact CD1-CD1 3.36Å; S194-I198 WeakPolarHBondContact O-CB 3.38Å; S194-I198 WeakPolarHBondContact O-CD1 3.29Å; S194-I198 WeakPolarHBondContact O-CG1 3.32Å; S194-I198 PolarHBondContact O-N 3.35Å; L195-I198 PolarHBondContact O-N 3.18Å; I198-A200 VanDerWaalsContact C-N 3.25Å; I198-A200 PolarHBondContact O-N 3.42Å; I198-R201 PolarHBondContact O-N 2.71Å; I198-H202 WeakPolarHBondContact O-CB 3.44Å; I198-H202 PolarHBondContact O-N 3.44Å
199	E	87.6	Confident	87.4	Confident	65 Å²	65	51.3 Å²	51.3	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-43	179.1	-75.3	-178.2	167.8	0	0	111	L195 H202 Q203	L195-E199 VanDerWaalsContact CD2-CD 3.47Å; L195-E199 HydrophobicContact CD2-CG 4.05Å; L195-E199 VanDerWaalsContact CD2-OE1 3.31Å; L195-E199 WeakPolarHBondContact CD2-OE1 3.19Å; L195-E199 WeakPolarHBondContact O-CG 3.37Å; L195-E199 PolarHBondContact O-N 3.19Å; E199-H202 PolarHBondContact O-N 3.42Å; E199-Q203 WeakPolarHBondContact O-CG 3.38Å; E199-Q203 PolarHBondContact O-N 2.87Å
200	A	87.3	Confident	87.7	Confident	15 Å²	15	49.8 Å²	49.8	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	-73.6	-28.9	-176.9	0	0	0	0	0	112.7	Q70 A196 D197 I198 D204	Q70-A200 VanDerWaalsContact CD-CB 3.43Å; A196-A200 VanDerWaalsContact O-CB 3.23Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 2.8Å; A196-A200 VanDerWaalsContact O-N 3.14Å; D197-A200 PolarHBondContact O-N 3.49Å; I198-A200 VanDerWaalsContact C-N 3.25Å; I198-A200 PolarHBondContact O-N 3.42Å; A200-D204 VanDerWaalsContact O-CG 3.24Å; A200-D204 PolarHBondContact O-N 2.96Å
201	R	88.9	Confident	87.9	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-75.7	-35.8	169.8	-64.6	-63.5	152.2	-162.3	10.9	112.8	I64 I152 D197 I198 Q203 D204 I205	I64-R201 PolarHBondContact O-NH2 2.83Å; I152-R201 HydrophobicContact CD1-CB 3.84Å; I152-R201 HydrophobicContact CG1-CB 3.66Å; I152-R201 HydrophobicContact CG1-CG 4.49Å; D197-R201 WeakPolarHBondContact O-CG 3.33Å; D197-R201 PolarHBondContact O-N 2.96Å; D197-R201 IonicContact OD1-NE 3.64Å; D197-R201 PolarHBondContact OD1-NE 3.46Å; I198-R201 PolarHBondContact O-N 2.71Å; R201-Q203 VanDerWaalsContact C-N 3.31Å; R201-D204 IonicContact CZ-OD2 2.68Å; R201-D204 IonicContact NH1-OD2 3.32Å; R201-D204 PolarHBondContact NH1-OD2 3.14Å; R201-D204 WeakPolarHBondContact O-CB 3.43Å; R201-D204 PolarHBondContact O-N 3.39Å; R201-I205 WeakPolarHBondContact O-CG1 3.42Å; R201-I205 PolarHBondContact O-N 3.23Å
202	H	90.5	Very high	88.3	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.023	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-42.3	173	174.2	-119.7	0	0	0	110.7	I152 F180 I198 E199 D204 I205 M206	I152-H202 HydrophobicContact CD1-CB 4.42Å; F180-H202 HydrophobicContact CE2-CB 4.06Å; F180-H202 AromaticContact CE2-CG 3.82Å; I198-H202 WeakPolarHBondContact O-CB 3.44Å; I198-H202 PolarHBondContact O-N 3.44Å; E199-H202 PolarHBondContact O-N 3.42Å; H202-D204 VanDerWaalsContact C-N 3.33Å; H202-D204 PolarHBondContact O-N 3.13Å; H202-I205 PolarHBondContact O-N 3.07Å; H202-M206 WeakPolarHBondContact O-CG 3.36Å; H202-M206 PolarHBondContact O-N 3.05Å
203	Q	88.5	Confident	88.5	Confident	111 Å²	111	47.3 Å²	47.3	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-40.9	172.3	-74.5	-178.1	0.7	0	0	112.9	E199 R201 M206 K207	E199-Q203 WeakPolarHBondContact O-CG 3.38Å; E199-Q203 PolarHBondContact O-N 2.87Å; R201-Q203 VanDerWaalsContact C-N 3.31Å; Q203-M206 PolarHBondContact O-N 3.37Å; Q203-K207 WeakPolarHBondContact O-CG 3.36Å; Q203-K207 PolarHBondContact O-N 3.18Å
204	D	88.8	Confident	88.4	Confident	13 Å²	13	44 Å²	44	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-49.8	174.2	-62.6	-22.1	0	0	0	109.6	K75 F144 A200 R201 H202 M206 K207 L208	K75-D204 WeakPolarHBondContact CE-OD1 3.3Å; K75-D204 IonicContact NZ-OD1 3.73Å; K75-D204 PolarHBondContact NZ-OD1 2.98Å; K75-D204 IonicContact NZ-OD2 3.39Å; F144-D204 HydrophobicContact CE1-CB 4.42Å; A200-D204 VanDerWaalsContact O-CG 3.24Å; A200-D204 PolarHBondContact O-N 2.96Å; R201-D204 IonicContact CZ-OD2 2.68Å; R201-D204 IonicContact NH1-OD2 3.32Å; R201-D204 PolarHBondContact NH1-OD2 3.14Å; R201-D204 WeakPolarHBondContact O-CB 3.43Å; R201-D204 PolarHBondContact O-N 3.39Å; H202-D204 VanDerWaalsContact C-N 3.33Å; H202-D204 PolarHBondContact O-N 3.13Å; D204-M206 PolarHBondContact O-N 2.96Å; D204-K207 PolarHBondContact O-N 2.88Å; D204-K207 VanDerWaalsContact O-N 3.13Å; D204-L208 VanDerWaalsContact O-CG 3.28Å; D204-L208 WeakPolarHBondContact O-CG 3.49Å; D204-L208 PolarHBondContact O-N 2.89Å
205	I	92.1	Very high	88.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-47	178	-68.6	171.6	0	0	0	112.1	R145 C148 I152 L172 R201 H202 K207 L208 E209	R145-I205 HydrophobicContact CG-CG1 4.45Å; R145-I205 HydrophobicContact CG-CG2 4.18Å; C148-I205 HydrophobicContact CB-CD1 3.8Å; C148-I205 HydrophobicContact CB-CG1 3.64Å; I152-I205 HydrophobicContact CD1-CD1 3.74Å; L172-I205 HydrophobicContact CD1-CD1 4.03Å; L172-I205 HydrophobicContact CD2-CD1 3.73Å; R201-I205 WeakPolarHBondContact O-CG1 3.42Å; R201-I205 PolarHBondContact O-N 3.23Å; H202-I205 PolarHBondContact O-N 3.07Å; I205-K207 VanDerWaalsContact C-N 3.28Å; I205-K207 PolarHBondContact O-N 2.7Å; I205-L208 WeakPolarHBondContact O-CB 3.39Å; I205-L208 PolarHBondContact O-N 3.49Å; I205-L208 VanDerWaalsContact O-N 3.1Å; I205-E209 HydrophobicContact CG2-CG 4.2Å; I205-E209 WeakPolarHBondContact CG2-OE1 3.44Å; I205-E209 WeakPolarHBondContact O-CG 3.34Å; I205-E209 PolarHBondContact O-N 3.26Å
206	M	90.2	Very high	88.3	Confident	58 Å²	58	48 Å²	48	29%	0.286	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-38	179.1	-68.7	-66.8	102.5	0	0	112.6	L172 H202 Q203 D204 E209 K210	L172-M206 WeakPolarHBondContact O-CE 3.01Å; H202-M206 WeakPolarHBondContact O-CG 3.36Å; H202-M206 PolarHBondContact O-N 3.05Å; Q203-M206 PolarHBondContact O-N 3.37Å; D204-M206 PolarHBondContact O-N 2.96Å; M206-E209 WeakPolarHBondContact CE-OE2 3.4Å; M206-K210 PolarHBondContact O-N 3.07Å
207	K	87.8	Confident	88.1	Confident	97 Å²	97	49.8 Å²	49.8	42%	0.422	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-41	175.3	-69.9	176.6	-176	178.8	0	111.5	E79 Q203 D204 I205 K210 S211	E79-K207 IonicContact OE1-NZ 3.46Å; E79-K207 PolarHBondContact OE1-NZ 2.83Å; Q203-K207 WeakPolarHBondContact O-CG 3.36Å; Q203-K207 PolarHBondContact O-N 3.18Å; D204-K207 PolarHBondContact O-N 2.88Å; D204-K207 VanDerWaalsContact O-N 3.13Å; I205-K207 VanDerWaalsContact C-N 3.28Å; I205-K207 PolarHBondContact O-N 2.7Å; K207-K210 PolarHBondContact O-N 2.52Å; K207-S211 PolarHBondContact O-N 3.3Å; K207-S211 VanDerWaalsContact O-N 3.13Å
208	L	90.9	Very high	88	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-45.9	176.5	-58.2	167.5	0	0	0	111.3	F144 R145 D204 I205 K210 S211 I212	F144-L208 HydrophobicContact CD1-CD1 3.28Å; F144-L208 HydrophobicContact CD1-CD2 3.54Å; F144-L208 HydrophobicContact CD1-CG 3.97Å; F144-L208 HydrophobicContact CE1-CD1 3.73Å; F144-L208 HydrophobicContact CE1-CD2 3.97Å; F144-L208 HydrophobicContact CE1-CG 4.27Å; F144-L208 HydrophobicContact CG-CD1 4.32Å; R145-L208 HydrophobicContact CB-CD1 3.97Å; D204-L208 VanDerWaalsContact O-CG 3.28Å; D204-L208 WeakPolarHBondContact O-CG 3.49Å; D204-L208 PolarHBondContact O-N 2.89Å; I205-L208 WeakPolarHBondContact O-CB 3.39Å; I205-L208 PolarHBondContact O-N 3.49Å; I205-L208 VanDerWaalsContact O-N 3.1Å; L208-K210 VanDerWaalsContact C-N 3.31Å; L208-K210 PolarHBondContact O-N 3.23Å; L208-S211 CarbonylContact O-C 3.27Å; L208-S211 WeakPolarHBondContact O-CA 3.32Å; L208-S211 WeakPolarHBondContact O-CB 3.41Å; L208-S211 PolarHBondContact O-N 2.96Å; L208-I212 WeakPolarHBondContact O-CG1 3.11Å; L208-I212 PolarHBondContact O-N 3.42Å
209	E	90.2	Very high	87.6	Confident	60 Å²	60	51.1 Å²	51.1	28%	0.28	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-39.6	-178.7	-74.8	-179.5	175.3	0	0	111.7	R145 I205 M206 S211 I212 K213	R145-E209 IonicContact NE-OE1 2.72Å; R145-E209 IonicContact NH2-OE1 2.78Å; R145-E209 PolarHBondContact NH2-OE1 3.22Å; I205-E209 HydrophobicContact CG2-CG 4.2Å; I205-E209 WeakPolarHBondContact CG2-OE1 3.44Å; I205-E209 WeakPolarHBondContact O-CG 3.34Å; I205-E209 PolarHBondContact O-N 3.26Å; M206-E209 WeakPolarHBondContact CE-OE2 3.4Å; E209-S211 PolarHBondContact O-N 3.24Å; E209-I212 PolarHBondContact O-N 3.37Å; E209-K213 WeakPolarHBondContact O-CB 3.46Å; E209-K213 PolarHBondContact O-N 3.39Å
210	K	89.2	Confident	87.3	Confident	142 Å²	142	53 Å²	53	62%	0.617	25%	0.251	S	S	*	.	H	α-helix	trans	-59.4	-46.4	170.6	-174.6	-178.2	176.8	-175.7	0	111.5	M206 K207 L208 K213 E214	M206-K210 PolarHBondContact O-N 3.07Å; K207-K210 PolarHBondContact O-N 2.52Å; L208-K210 VanDerWaalsContact C-N 3.31Å; L208-K210 PolarHBondContact O-N 3.23Å; K210-K213 PolarHBondContact O-N 3.38Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 2.99Å; K210-E214 VanDerWaalsContact O-N 3.14Å
211	S	89.2	Confident	86.6	Confident	16 Å²	16	55 Å²	55	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-41.5	177.9	-174.2	0	0	0	0	112.3	M82 Y137 K207 L208 E209 K213 E214 L215	M82-S211 VanDerWaalsContact CE-CB 3.49Å; Y137-S211 PolarHBondContact OH-OG 3.09Å; K207-S211 PolarHBondContact O-N 3.3Å; K207-S211 VanDerWaalsContact O-N 3.13Å; L208-S211 CarbonylContact O-C 3.27Å; L208-S211 WeakPolarHBondContact O-CA 3.32Å; L208-S211 WeakPolarHBondContact O-CB 3.41Å; L208-S211 PolarHBondContact O-N 2.96Å; E209-S211 PolarHBondContact O-N 3.24Å; S211-K213 VanDerWaalsContact C-N 3.34Å; S211-E214 PolarHBondContact O-N 3.37Å; S211-L215 WeakPolarHBondContact O-CG 3.34Å; S211-L215 PolarHBondContact O-N 3.07Å
212	I	89.7	Confident	86	Confident	39 Å²	39	55.2 Å²	55.2	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-39.1	179.1	-69	167.5	0	0	0	110.3	Q141 V142 L208 E209 L215 H216	Q141-I212 HydrophobicContact CB-CD1 4.01Å; Q141-I212 HydrophobicContact CB-CG1 3.86Å; V142-I212 HydrophobicContact CG2-CD1 4.38Å; L208-I212 WeakPolarHBondContact O-CG1 3.11Å; L208-I212 PolarHBondContact O-N 3.42Å; E209-I212 PolarHBondContact O-N 3.37Å; I212-L215 WeakPolarHBondContact O-CB 3.38Å; I212-L215 PolarHBondContact O-N 2.87Å; I212-H216 WeakPolarHBondContact O-CB 3.34Å; I212-H216 PolarHBondContact O-N 3Å
213	K	89.3	Confident	85.1	Confident	148 Å²	148	57.7 Å²	57.7	64%	0.643	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-43.4	175.4	-170.3	176.3	-176.8	174	0	112	E209 K210 S211 L215 H216 D217	E209-K213 WeakPolarHBondContact O-CB 3.46Å; E209-K213 PolarHBondContact O-N 3.39Å; K210-K213 PolarHBondContact O-N 3.38Å; S211-K213 VanDerWaalsContact C-N 3.34Å; K213-L215 VanDerWaalsContact C-N 3.32Å; K213-L215 PolarHBondContact O-N 3.04Å; K213-H216 WeakPolarHBondContact O-CB 3.3Å; K213-H216 PolarHBondContact O-N 3.24Å; K213-D217 PolarHBondContact O-N 3.26Å; K213-D217 VanDerWaalsContact O-N 3.11Å
214	E	83.8	Confident	84	Confident	57 Å²	57	58.1 Å²	58.1	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-35.5	175.9	-68.2	175.8	171.2	0	0	112.3	K86 K210 S211 M218	K86-E214 VanDerWaalsContact CD-OE2 3.25Å; K86-E214 WeakPolarHBondContact CD-OE2 3.27Å; K86-E214 WeakPolarHBondContact CE-OE2 3.26Å; K86-E214 IonicContact NZ-OE1 3.75Å; K86-E214 PolarHBondContact NZ-OE1 2.91Å; K86-E214 IonicContact NZ-OE2 2.86Å; K86-E214 PolarHBondContact NZ-OE2 3.23Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 2.99Å; K210-E214 VanDerWaalsContact O-N 3.14Å; S211-E214 PolarHBondContact O-N 3.37Å; E214-M218 PolarHBondContact O-N 3.27Å
215	L	86.5	Confident	82.8	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-41.2	171	-71.3	176.6	0	0	0	112.2	M134 Y137 N138 S211 I212 K213 D217 M218 F219	M134-L215 HydrophobicContact CE-CD2 3.14Å; Y137-L215 HydrophobicContact CD1-CD1 3.44Å; Y137-L215 VanDerWaalsContact CD1-CD1 3.44Å; Y137-L215 HydrophobicContact CD1-CD2 3.68Å; Y137-L215 HydrophobicContact CD1-CG 4.1Å; Y137-L215 HydrophobicContact CE1-CD1 3.48Å; Y137-L215 VanDerWaalsContact CE1-CD1 3.48Å; Y137-L215 HydrophobicContact CE1-CD2 3.74Å; Y137-L215 HydrophobicContact CE1-CG 3.95Å; Y137-L215 HydrophobicContact CG-CD1 4.46Å; N138-L215 HydrophobicContact CB-CD1 4.27Å; S211-L215 WeakPolarHBondContact O-CG 3.34Å; S211-L215 PolarHBondContact O-N 3.07Å; I212-L215 WeakPolarHBondContact O-CB 3.38Å; I212-L215 PolarHBondContact O-N 2.87Å; K213-L215 VanDerWaalsContact C-N 3.32Å; K213-L215 PolarHBondContact O-N 3.04Å; L215-D217 VanDerWaalsContact C-N 3.34Å; L215-D217 PolarHBondContact O-N 3.47Å; L215-M218 CarbonylContact O-C 3.59Å; L215-M218 WeakPolarHBondContact O-CA 3.43Å; L215-M218 WeakPolarHBondContact O-CB 3.4Å; L215-M218 PolarHBondContact O-N 3.44Å; L215-M218 VanDerWaalsContact O-N 3.11Å; L215-F219 HydrophobicContact CB-CD2 4.32Å; L215-F219 HydrophobicContact CB-CE2 4.23Å; L215-F219 WeakPolarHBondContact O-CD2 3.27Å; L215-F219 PolarHBondContact O-N 3.41Å
216	H	83.7	Confident	81.5	Confident	98 Å²	98	61.7 Å²	61.7	45%	0.454	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-46.1	178.2	-176.6	84.5	0	0	0	111.4	I212 K213 M218 F219 M220	I212-H216 WeakPolarHBondContact O-CB 3.34Å; I212-H216 PolarHBondContact O-N 3Å; K213-H216 WeakPolarHBondContact O-CB 3.3Å; K213-H216 PolarHBondContact O-N 3.24Å; H216-M218 VanDerWaalsContact C-N 3.26Å; H216-M218 PolarHBondContact O-N 3.49Å; H216-F219 PolarHBondContact O-N 3.43Å; H216-F219 VanDerWaalsContact O-N 3.13Å; H216-M220 WeakPolarHBondContact CE1-CE 3.26Å; H216-M220 VanDerWaalsContact NE2-CE 3.29Å; H216-M220 WeakPolarHBondContact NE2-CE 3.46Å; H216-M220 WeakPolarHBondContact O-CG 3.2Å; H216-M220 PolarHBondContact O-N 3.38Å
217	D	82.1	Confident	80.2	Confident	85 Å²	85	66.8 Å²	66.8	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-41.4	174.9	-65.6	-18.9	0	0	0	110.9	K213 L215 M220 D221	K213-D217 PolarHBondContact O-N 3.26Å; K213-D217 VanDerWaalsContact O-N 3.11Å; L215-D217 VanDerWaalsContact C-N 3.34Å; L215-D217 PolarHBondContact O-N 3.47Å; D217-M220 PolarHBondContact O-N 3.23Å; D217-D221 PolarHBondContact O-N 3.42Å; D217-D221 VanDerWaalsContact O-OD2 3.07Å
218	M	82.6	Confident	78.9	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-38.9	175.7	-164.3	-176.5	-52.3	0	0	113.3	A89 F130 M134 E214 L215 H216 D221 M222	A89-M218 HydrophobicContact CB-CE 3.58Å; A89-M218 HydrophobicContact CB-SD 3.68Å; F130-M218 HydrophobicContact CE1-SD 4.33Å; F130-M218 HydrophobicContact CZ-SD 3.89Å; M134-M218 HydrophobicContact CE-CE 4.49Å; M134-M218 HydrophobicContact CE-SD 4.06Å; E214-M218 PolarHBondContact O-N 3.27Å; L215-M218 CarbonylContact O-C 3.59Å; L215-M218 WeakPolarHBondContact O-CA 3.43Å; L215-M218 WeakPolarHBondContact O-CB 3.4Å; L215-M218 PolarHBondContact O-N 3.44Å; L215-M218 VanDerWaalsContact O-N 3.11Å; H216-M218 VanDerWaalsContact C-N 3.26Å; H216-M218 PolarHBondContact O-N 3.49Å; M218-D221 PolarHBondContact O-N 3.13Å; M218-M222 HydrophobicContact CG-CE 4.3Å; M218-M222 WeakPolarHBondContact O-CG 3.45Å; M218-M222 PolarHBondContact O-N 3.11Å
219	F	81	Confident	77.4	Confident	48 Å²	48	64.5 Å²	64.5	21%	0.211	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-38.8	176.8	-81.5	-60.8	0	0	0	112.3	M134 N138 L215 H216 D221 M222 A223	M134-F219 HydrophobicContact CB-CE1 4.11Å; M134-F219 HydrophobicContact CB-CZ 3.9Å; N138-F219 HydrophobicContact CB-CE2 4.1Å; N138-F219 HydrophobicContact CB-CZ 4.43Å; L215-F219 HydrophobicContact CB-CD2 4.32Å; L215-F219 HydrophobicContact CB-CE2 4.23Å; L215-F219 WeakPolarHBondContact O-CD2 3.27Å; L215-F219 PolarHBondContact O-N 3.41Å; H216-F219 PolarHBondContact O-N 3.43Å; H216-F219 VanDerWaalsContact O-N 3.13Å; F219-D221 VanDerWaalsContact C-N 3.28Å; F219-D221 PolarHBondContact O-N 3.44Å; F219-M222 HydrophobicContact CD1-CE 3.85Å; F219-M222 HydrophobicContact CE1-CE 4.09Å; F219-M222 CarbonylContact O-C 3.59Å; F219-M222 PolarHBondContact O-N 3.44Å; F219-A223 WeakPolarHBondContact O-CB 3.46Å; F219-A223 PolarHBondContact O-N 3.06Å
220	M	80.2	Confident	76.1	Confident	104 Å²	104	63.6 Å²	63.6	51%	0.512	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-41.8	176.8	-73.1	-61.9	165	0	0	111.4	H216 D217	H216-M220 WeakPolarHBondContact CE1-CE 3.26Å; H216-M220 VanDerWaalsContact NE2-CE 3.29Å; H216-M220 WeakPolarHBondContact NE2-CE 3.46Å; H216-M220 WeakPolarHBondContact O-CG 3.2Å; H216-M220 PolarHBondContact O-N 3.38Å; D217-M220 PolarHBondContact O-N 3.23Å
221	D	74.5	Confident	74.8	Confident	57 Å²	57	63.2 Å²	63.2	31%	0.305	33%	0.332	S	S	.	.	H	α-helix	trans	-68.2	-37	175.6	-73.1	-66	0	0	0	112.9	R93 D217 M218 F219 L225	R93-D221 IonicContact CZ-OD2 3.84Å; R93-D221 IonicContact NH1-OD2 2.58Å; R93-D221 PolarHBondContact NH1-OD2 2.91Å; R93-D221 VanDerWaalsContact NH2-CB 3.33Å; R93-D221 IonicContact NH2-OD1 3.47Å; R93-D221 PolarHBondContact NH2-OD1 3.37Å; R93-D221 IonicContact NH2-OD2 3.95Å; R93-D221 PolarHBondContact NH2-OD2 3.36Å; D217-D221 PolarHBondContact O-N 3.42Å; D217-D221 VanDerWaalsContact O-OD2 3.07Å; M218-D221 PolarHBondContact O-N 3.13Å; F219-D221 VanDerWaalsContact C-N 3.28Å; F219-D221 PolarHBondContact O-N 3.44Å; D221-L225 WeakPolarHBondContact O-CG 3.39Å
222	M	74.9	Confident	73.4	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-77.1	-28.1	177.4	-71.4	-164.1	-64.6	0	0	113.9	F130 I131 M134 M218 F219 M224 L225 V226	F130-M222 HydrophobicContact CD1-CE 4.24Å; F130-M222 HydrophobicContact CD1-SD 3.24Å; F130-M222 WeakPolarHBondContact CD1-SD 3.25Å; F130-M222 HydrophobicContact CE1-CE 3.99Å; F130-M222 HydrophobicContact CE1-SD 3.21Å; F130-M222 WeakPolarHBondContact CE1-SD 3.39Å; F130-M222 HydrophobicContact CG-SD 4.4Å; F130-M222 HydrophobicContact CZ-SD 4.36Å; I131-M222 HydrophobicContact CD1-CB 4.46Å; I131-M222 HydrophobicContact CG1-CB 4.39Å; I131-M222 HydrophobicContact CG1-CE 3.96Å; I131-M222 HydrophobicContact CG1-SD 3.81Å; M134-M222 HydrophobicContact CB-CE 4.48Å; M134-M222 HydrophobicContact CG-CE 4.48Å; M218-M222 HydrophobicContact CG-CE 4.3Å; M218-M222 WeakPolarHBondContact O-CG 3.45Å; M218-M222 PolarHBondContact O-N 3.11Å; F219-M222 HydrophobicContact CD1-CE 3.85Å; F219-M222 HydrophobicContact CE1-CE 4.09Å; F219-M222 CarbonylContact O-C 3.59Å; F219-M222 PolarHBondContact O-N 3.44Å; M222-M224 VanDerWaalsContact C-N 3.26Å; M222-M224 PolarHBondContact O-N 2.66Å; M222-L225 HydrophobicContact CG-CD1 4.47Å; M222-L225 CarbonylContact O-C 3.6Å; M222-L225 WeakPolarHBondContact O-CA 3.36Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 2.93Å; M222-V226 WeakPolarHBondContact O-CG2 3.5Å; M222-V226 PolarHBondContact O-N 2.74Å
223	A	71.6	Confident	72.1	Confident	56 Å²	56	64.3 Å²	64.3	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-41.3	177.8	0	0	0	0	0	110.6	F219 L225 V226 E227	F219-A223 WeakPolarHBondContact O-CB 3.46Å; F219-A223 PolarHBondContact O-N 3.06Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.03Å; A223-V226 PolarHBondContact O-N 2.93Å; A223-E227 PolarHBondContact O-N 2.58Å
224	M	65.3	Low	70.8	Confident	121 Å²	121	62.3 Å²	62.3	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-60.3	-35.2	172.5	-67.2	-174.1	-74.1	0	0	112.4	M222	M222-M224 VanDerWaalsContact C-N 3.26Å; M222-M224 PolarHBondContact O-N 2.66Å
225	L	64.2	Low	69.9	Low	22 Å²	22	66 Å²	66	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-74.3	-25.5	178	-55.8	178.4	0	0	0	113.3	E100 D221 M222 A223 S228 Q229	E100-L225 WeakPolarHBondContact OE1-CD2 3.43Å; E100-L225 WeakPolarHBondContact OE2-CD2 3.26Å; D221-L225 WeakPolarHBondContact O-CG 3.39Å; M222-L225 HydrophobicContact CG-CD1 4.47Å; M222-L225 CarbonylContact O-C 3.6Å; M222-L225 WeakPolarHBondContact O-CA 3.36Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 2.93Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.03Å; L225-S228 PolarHBondContact O-OG 3.34Å; L225-S228 VanDerWaalsContact O-OG 3.07Å; L225-Q229 VanDerWaalsContact O-CG 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.49Å; L225-Q229 PolarHBondContact O-NE2 3.38Å
226	V	64.7	Low	68.8	Low	65 Å²	65	66.5 Å²	66.5	39%	0.394	35%	0.347	S	S	.	.	H	α-helix	trans	-83	-38.1	-179.8	177.7	0	0	0	0	111.3	I131 M222 A223 S228 Q229	I131-V226 HydrophobicContact CD1-CG2 3.03Å; I131-V226 HydrophobicContact CG1-CG2 4.45Å; M222-V226 WeakPolarHBondContact O-CG2 3.5Å; M222-V226 PolarHBondContact O-N 2.74Å; A223-V226 PolarHBondContact O-N 2.93Å; V226-S228 VanDerWaalsContact C-N 3.26Å; V226-S228 PolarHBondContact O-N 2.88Å; V226-Q229 WeakPolarHBondContact O-CB 3.48Å; V226-Q229 PolarHBondContact O-N 3.25Å; V226-Q229 VanDerWaalsContact O-N 3.09Å
227	E	64	Low	68	Low	165 Å²	165	68.4 Å²	68.4	77%	0.771	36%	0.356	S	S	*	.	H	α-helix	trans	-60.9	-38.4	178.7	-167.2	166.5	-160.2	0	0	111.1	A223 Q229	A223-E227 PolarHBondContact O-N 2.58Å; E227-Q229 VanDerWaalsContact C-N 3.3Å; E227-Q229 PolarHBondContact O-N 2.95Å
228	S	59.5	Low	67.4	Low	44 Å²	44	70.6 Å²	70.6	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-70	-20.5	175.8	66.5	0	0	0	0	114.4	L225 V226 M232	L225-S228 PolarHBondContact O-OG 3.34Å; L225-S228 VanDerWaalsContact O-OG 3.07Å; V226-S228 VanDerWaalsContact C-N 3.26Å; V226-S228 PolarHBondContact O-N 2.88Å; S228-M232 PolarHBondContact O-N 3.32Å
229	Q	59.6	Low	66.6	Low	9 Å²	9	72.4 Å²	72.4	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-74	-27.8	-177.4	-76.6	169.4	59.2	0	0	113.4	Y123 S124 L225 V226 E227 M232 I233	Y123-Q229 HydrophobicContact CD1-CG 4.39Å; Y123-Q229 HydrophobicContact CE1-CG 4.02Å; S124-Q229 VanDerWaalsContact CB-OE1 3.28Å; S124-Q229 PolarHBondContact O-OE1 2.84Å; S124-Q229 PolarHBondContact OG-OE1 3.49Å; L225-Q229 VanDerWaalsContact O-CG 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.49Å; L225-Q229 PolarHBondContact O-NE2 3.38Å; V226-Q229 WeakPolarHBondContact O-CB 3.48Å; V226-Q229 PolarHBondContact O-N 3.25Å; V226-Q229 VanDerWaalsContact O-N 3.09Å; E227-Q229 VanDerWaalsContact C-N 3.3Å; E227-Q229 PolarHBondContact O-N 2.95Å; Q229-M232 PolarHBondContact O-N 3.43Å; Q229-I233 WeakPolarHBondContact O-CG1 3.43Å; Q229-I233 PolarHBondContact O-N 2.81Å
230	G	62.2	Low	66.1	Low	40 Å²	40	73.2 Å²	73.2	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-52.5	177.9	0	0	0	0	0	111.5	M232 I233 D234	G230-M232 VanDerWaalsContact C-N 3.26Å; G230-M232 PolarHBondContact O-N 3.23Å; G230-I233 PolarHBondContact O-N 3.49Å; G230-D234 PolarHBondContact O-N 2.86Å
231	E	62.4	Low	65.8	Low	134 Å²	134	73.9 Å²	73.9	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-62.7	-34.8	177.2	-61.6	-169.7	172.7	0	0	112.4	R235	E231-R235 VanDerWaalsContact O-CG 3.29Å; E231-R235 WeakPolarHBondContact O-CG 3.22Å; E231-R235 PolarHBondContact O-N 3.22Å
232	M	59.2	Low	65.4	Low	17 Å²	17	73.8 Å²	73.8	8%	0.084	38%	0.377	C	S	.	.	H	α-helix	trans	-70.1	-41.8	-178.4	-172	-179.8	-74.3	0	0	112.5	I103 K120 Y123 S228 Q229 G230 R235 I236	I103-M232 HydrophobicContact CG2-CE 3.72Å; I103-M232 HydrophobicContact CG2-SD 4.2Å; K120-M232 HydrophobicContact CB-CG 3.97Å; K120-M232 HydrophobicContact CB-SD 3.65Å; K120-M232 HydrophobicContact CD-CG 3.56Å; K120-M232 HydrophobicContact CD-SD 3.9Å; K120-M232 HydrophobicContact CG-CE 4.46Å; K120-M232 HydrophobicContact CG-CG 3.82Å; K120-M232 HydrophobicContact CG-SD 3.46Å; K120-M232 WeakPolarHBondContact CG-SD 3.48Å; Y123-M232 HydrophobicContact CD1-SD 4.43Å; S228-M232 PolarHBondContact O-N 3.32Å; Q229-M232 PolarHBondContact O-N 3.43Å; G230-M232 VanDerWaalsContact C-N 3.26Å; G230-M232 PolarHBondContact O-N 3.23Å; M232-R235 PolarHBondContact O-N 2.95Å; M232-I236 WeakPolarHBondContact O-CG1 3.28Å; M232-I236 PolarHBondContact O-N 3.05Å
233	I	62.8	Low	65.2	Low	61 Å²	61	74.8 Å²	74.8	31%	0.313	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-45.9	177.6	-70.1	171.1	0	0	0	110.5	S124 Q229 G230 R235 I236 E237	S124-I233 WeakPolarHBondContact OG-CD1 3.42Å; Q229-I233 WeakPolarHBondContact O-CG1 3.43Å; Q229-I233 PolarHBondContact O-N 2.81Å; G230-I233 PolarHBondContact O-N 3.49Å; I233-R235 PolarHBondContact O-N 3.21Å; I233-I236 WeakPolarHBondContact O-CA 3.26Å; I233-I236 WeakPolarHBondContact O-CB 3.28Å; I233-I236 PolarHBondContact O-N 2.95Å; I233-E237 PolarHBondContact O-N 3.44Å
234	D	63	Low	65.1	Low	107 Å²	107	76.1 Å²	76.1	57%	0.572	39%	0.388	S	S	*	.	H	α-helix	trans	-59.4	-38.1	-179.9	-70.4	-7.6	0	0	0	111	G230 I236 E237 Y238	G230-D234 PolarHBondContact O-N 2.86Å; D234-I236 VanDerWaalsContact C-N 3.32Å; D234-I236 PolarHBondContact O-N 3.14Å; D234-E237 PolarHBondContact O-N 3.43Å; D234-Y238 VanDerWaalsContact O-CB 3.28Å; D234-Y238 WeakPolarHBondContact O-CB 3.02Å; D234-Y238 PolarHBondContact O-N 2.9Å
235	R	63.4	Low	65.2	Low	133 Å²	133	74 Å²	74	50%	0.502	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-31.6	172.5	-73.2	178.5	-174.4	-162.8	5	113.2	E231 M232 I233 N239	E231-R235 VanDerWaalsContact O-CG 3.29Å; E231-R235 WeakPolarHBondContact O-CG 3.22Å; E231-R235 PolarHBondContact O-N 3.22Å; M232-R235 PolarHBondContact O-N 2.95Å; I233-R235 PolarHBondContact O-N 3.21Å; R235-N239 WeakPolarHBondContact O-CB 3.36Å; R235-N239 PolarHBondContact O-N 3.18Å; R235-N239 PolarHBondContact O-ND2 3.17Å
236	I	63.3	Low	65.6	Low	19 Å²	19	80.4 Å²	80.4	10%	0.097	40%	0.403	C	S	.	.	H	α-helix	trans	-70	-48.3	177	-65	163.9	0	0	0	109.6	R117 K120 M232 I233 D234 Y238 N239 V240	R117-I236 HydrophobicContact CB-CG2 4.22Å; R117-I236 HydrophobicContact CG-CG2 4.19Å; K120-I236 HydrophobicContact CB-CD1 3.47Å; K120-I236 VanDerWaalsContact CB-CD1 3.47Å; K120-I236 HydrophobicContact CB-CG1 4.26Å; K120-I236 HydrophobicContact CD-CD1 4.16Å; K120-I236 HydrophobicContact CD-CG1 4.07Å; K120-I236 HydrophobicContact CG-CD1 4.48Å; M232-I236 WeakPolarHBondContact O-CG1 3.28Å; M232-I236 PolarHBondContact O-N 3.05Å; I233-I236 WeakPolarHBondContact O-CA 3.26Å; I233-I236 WeakPolarHBondContact O-CB 3.28Å; I233-I236 PolarHBondContact O-N 2.95Å; D234-I236 VanDerWaalsContact C-N 3.32Å; D234-I236 PolarHBondContact O-N 3.14Å; I236-Y238 VanDerWaalsContact C-N 3.34Å; I236-Y238 PolarHBondContact O-N 3.33Å; I236-N239 PolarHBondContact O-N 2.95Å; I236-V240 HydrophobicContact CG2-CG2 4.29Å; I236-V240 WeakPolarHBondContact O-CB 3.48Å; I236-V240 VanDerWaalsContact O-CG2 3.28Å; I236-V240 WeakPolarHBondContact O-CG2 3.29Å; I236-V240 PolarHBondContact O-N 3.05Å
237	E	67.3	Low	66.1	Low	138 Å²	138	82.9 Å²	82.9	65%	0.645	41%	0.413	S	S	*	.	H	α-helix	trans	-58.2	-49.2	177.6	-172.5	166.7	-164.3	0	0	110.3	I233 D234 N239 V240 E241	I233-E237 PolarHBondContact O-N 3.44Å; D234-E237 PolarHBondContact O-N 3.43Å; E237-N239 PolarHBondContact O-N 3.5Å; E237-V240 PolarHBondContact O-N 3.02Å; E237-E241 WeakPolarHBondContact O-CB 3.45Å; E237-E241 PolarHBondContact O-N 3.35Å
238	Y	70.4	Confident	66.6	Low	132 Å²	132	81.3 Å²	81.3	52%	0.518	41%	0.406	S	S	.	.	H	α-helix	trans	-57.3	-44.9	175.2	-179.1	-103.3	0	0	0	113.2	D234 I236 E241 Q242	D234-Y238 VanDerWaalsContact O-CB 3.28Å; D234-Y238 WeakPolarHBondContact O-CB 3.02Å; D234-Y238 PolarHBondContact O-N 2.9Å; I236-Y238 VanDerWaalsContact C-N 3.34Å; I236-Y238 PolarHBondContact O-N 3.33Å; Y238-E241 PolarHBondContact O-N 3.07Å; Y238-Q242 HydrophobicContact CD1-CG 4.29Å; Y238-Q242 HydrophobicContact CE1-CG 3.92Å; Y238-Q242 HydrophobicContact CE2-CG 4.2Å; Y238-Q242 WeakPolarHBondContact O-CB 3.2Å; Y238-Q242 WeakPolarHBondContact O-CG 3.49Å; Y238-Q242 PolarHBondContact O-N 2.96Å; Y238-Q242 PolarHBondContact OH-NE2 3.25Å; Y238-Q242 VanDerWaalsContact OH-NE2 3.08Å
239	N	66.1	Low	67.3	Low	43 Å²	43	82.3 Å²	82.3	23%	0.23	41%	0.413	C	S	.	.	H	α-helix	trans	-72.9	-27.1	179.4	-77.6	-46.5	0	0	0	113.3	T112 R235 I236 E237 A243	T112-N239 HydrophobicContact CG2-CB 4.14Å; R235-N239 WeakPolarHBondContact O-CB 3.36Å; R235-N239 PolarHBondContact O-N 3.18Å; R235-N239 PolarHBondContact O-ND2 3.17Å; I236-N239 PolarHBondContact O-N 2.95Å; E237-N239 PolarHBondContact O-N 3.5Å; N239-A243 VanDerWaalsContact O-CB 3.25Å; N239-A243 WeakPolarHBondContact O-CB 3.47Å; N239-A243 PolarHBondContact O-N 3.25Å
240	V	69.7	Low	68.1	Low	64 Å²	64	84.5 Å²	84.5	39%	0.388	43%	0.432	S	S	.	.	H	α-helix	trans	-71.7	-44.6	172.5	170.3	0	0	0	0	109.7	I236 E237 A243 V244	I236-V240 HydrophobicContact CG2-CG2 4.29Å; I236-V240 WeakPolarHBondContact O-CB 3.48Å; I236-V240 VanDerWaalsContact O-CG2 3.28Å; I236-V240 WeakPolarHBondContact O-CG2 3.29Å; I236-V240 PolarHBondContact O-N 3.05Å; E237-V240 PolarHBondContact O-N 3.02Å; V240-A243 PolarHBondContact O-N 3Å; V240-V244 WeakPolarHBondContact O-CG2 3.25Å; V240-V244 PolarHBondContact O-N 3.35Å
241	E	73.1	Confident	69.1	Low	118 Å²	118	89.9 Å²	89.9	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-57.5	-50.6	174.4	-170.7	175.3	-160.8	0	0	110.9	E237 Y238 A243 V244 D245	E237-E241 WeakPolarHBondContact O-CB 3.45Å; E237-E241 PolarHBondContact O-N 3.35Å; Y238-E241 PolarHBondContact O-N 3.07Å; E241-A243 VanDerWaalsContact C-N 3.34Å; E241-A243 PolarHBondContact O-N 3.5Å; E241-V244 WeakPolarHBondContact O-CB 3.4Å; E241-V244 PolarHBondContact O-N 3.47Å; E241-V244 VanDerWaalsContact O-N 3.1Å; E241-D245 PolarHBondContact O-N 3.24Å
242	Q	66.2	Low	70	Confident	56 Å²	56	85.6 Å²	85.6	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-60.7	-39.2	175.6	-71.9	-101.9	71.9	0	0	112.6	Y238 V244 D245 Y246	Y238-Q242 HydrophobicContact CD1-CG 4.29Å; Y238-Q242 HydrophobicContact CE1-CG 3.92Å; Y238-Q242 HydrophobicContact CE2-CG 4.2Å; Y238-Q242 WeakPolarHBondContact O-CB 3.2Å; Y238-Q242 WeakPolarHBondContact O-CG 3.49Å; Y238-Q242 PolarHBondContact O-N 2.96Å; Y238-Q242 PolarHBondContact OH-NE2 3.25Å; Y238-Q242 VanDerWaalsContact OH-NE2 3.08Å; Q242-V244 VanDerWaalsContact C-N 3.32Å; Q242-V244 PolarHBondContact O-N 2.82Å; Q242-D245 WeakPolarHBondContact O-CB 3.42Å; Q242-D245 PolarHBondContact O-N 2.93Å; Q242-Y246 HydrophobicContact CB-CD2 4.45Å; Q242-Y246 HydrophobicContact CB-CE2 4.33Å; Q242-Y246 WeakPolarHBondContact O-CB 3.5Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.4Å; Q242-Y246 PolarHBondContact O-N 3.48Å
243	A	70.9	Confident	71.2	Confident	27 Å²	27	88.9 Å²	88.9	22%	0.223	45%	0.449	C	S	.	.	H	α-helix	trans	-65.2	-37.3	176.6	0	0	0	0	0	112	N239 V240 E241 Y246 I247	N239-A243 VanDerWaalsContact O-CB 3.25Å; N239-A243 WeakPolarHBondContact O-CB 3.47Å; N239-A243 PolarHBondContact O-N 3.25Å; V240-A243 PolarHBondContact O-N 3Å; E241-A243 VanDerWaalsContact C-N 3.34Å; E241-A243 PolarHBondContact O-N 3.5Å; A243-Y246 PolarHBondContact O-N 3.1Å; A243-I247 WeakPolarHBondContact O-CB 3.4Å; A243-I247 WeakPolarHBondContact O-CD1 3.2Å; A243-I247 WeakPolarHBondContact O-CG1 3.22Å; A243-I247 PolarHBondContact O-N 2.84Å
244	V	70	Confident	72.1	Confident	84 Å²	84	90.1 Å²	90.1	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-45.4	172.2	172.6	0	0	0	0	109.9	V240 E241 Q242 Y246 I247 E248	V240-V244 WeakPolarHBondContact O-CG2 3.25Å; V240-V244 PolarHBondContact O-N 3.35Å; E241-V244 WeakPolarHBondContact O-CB 3.4Å; E241-V244 PolarHBondContact O-N 3.47Å; E241-V244 VanDerWaalsContact O-N 3.1Å; Q242-V244 VanDerWaalsContact C-N 3.32Å; Q242-V244 PolarHBondContact O-N 2.82Å; V244-Y246 PolarHBondContact O-N 3.34Å; V244-I247 PolarHBondContact O-N 2.86Å; V244-E248 WeakPolarHBondContact O-CB 3.44Å; V244-E248 PolarHBondContact O-N 3.08Å
245	D	67.9	Low	73	Confident	75 Å²	75	91.9 Å²	91.9	40%	0.401	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-41	177.4	-71	-13.9	0	0	0	112.8	E241 Q242 E248 S249	E241-D245 PolarHBondContact O-N 3.24Å; Q242-D245 WeakPolarHBondContact O-CB 3.42Å; Q242-D245 PolarHBondContact O-N 2.93Å; D245-E248 PolarHBondContact O-N 2.83Å; D245-S249 VanDerWaalsContact O-CB 3.29Å; D245-S249 WeakPolarHBondContact O-CB 3.03Å; D245-S249 PolarHBondContact O-N 2.84Å; D245-S249 PolarHBondContact O-OG 3.48Å
246	Y	72.5	Confident	74	Confident	157 Å²	157	90.7 Å²	90.7	62%	0.616	46%	0.461	S	S	*	.	H	α-helix	trans	-66.5	-41.1	175.2	-79.5	-60.3	0	0	0	111.9	Q242 A243 V244 S249 A250	Q242-Y246 HydrophobicContact CB-CD2 4.45Å; Q242-Y246 HydrophobicContact CB-CE2 4.33Å; Q242-Y246 WeakPolarHBondContact O-CB 3.5Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.4Å; Q242-Y246 PolarHBondContact O-N 3.48Å; A243-Y246 PolarHBondContact O-N 3.1Å; V244-Y246 PolarHBondContact O-N 3.34Å; Y246-S249 PolarHBondContact O-N 2.91Å; Y246-A250 WeakPolarHBondContact O-CB 3.24Å; Y246-A250 PolarHBondContact O-N 2.79Å
247	I	75.5	Confident	74.9	Confident	117 Å²	117	92.3 Å²	92.3	60%	0.6	48%	0.477	S	S	*	.	H	α-helix	trans	-66.5	-40.5	176.8	-71.1	166.6	0	0	0	110.2	A243 V244 A250 K251	A243-I247 WeakPolarHBondContact O-CB 3.4Å; A243-I247 WeakPolarHBondContact O-CD1 3.2Å; A243-I247 WeakPolarHBondContact O-CG1 3.22Å; A243-I247 PolarHBondContact O-N 2.84Å; V244-I247 PolarHBondContact O-N 2.86Å; I247-A250 PolarHBondContact O-N 3.46Å; I247-K251 WeakPolarHBondContact O-CB 3.38Å; I247-K251 PolarHBondContact O-N 3.44Å
248	E	73.1	Confident	75.6	Confident	133 Å²	133	89.9 Å²	89.9	62%	0.621	47%	0.472	S	S	*	.	H	α-helix	trans	-65.1	-43.8	176.7	-174.1	161.4	-162	0	0	111.6	V244 D245 K251 A252	V244-E248 WeakPolarHBondContact O-CB 3.44Å; V244-E248 PolarHBondContact O-N 3.08Å; D245-E248 PolarHBondContact O-N 2.83Å; E248-K251 PolarHBondContact O-N 3.43Å; E248-A252 PolarHBondContact O-N 2.97Å
249	S	74	Confident	76.2	Confident	65 Å²	65	90 Å²	90	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-46.8	174.3	-62	0	0	0	0	112	D245 Y246 K251 A252 D253	D245-S249 VanDerWaalsContact O-CB 3.29Å; D245-S249 WeakPolarHBondContact O-CB 3.03Å; D245-S249 PolarHBondContact O-N 2.84Å; D245-S249 PolarHBondContact O-OG 3.48Å; Y246-S249 PolarHBondContact O-N 2.91Å; S249-K251 VanDerWaalsContact C-N 3.31Å; S249-K251 PolarHBondContact O-N 3.36Å; S249-A252 WeakPolarHBondContact O-CB 3.16Å; S249-A252 PolarHBondContact O-N 3.12Å; S249-A252 VanDerWaalsContact O-N 3.12Å; S249-D253 PolarHBondContact O-N 3.42Å
250	A	77.6	Confident	77.1	Confident	54 Å²	54	96.1 Å²	96.1	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-37.3	176.4	0	0	0	0	0	111.9	Y246 I247 D253 T254	Y246-A250 WeakPolarHBondContact O-CB 3.24Å; Y246-A250 PolarHBondContact O-N 2.79Å; I247-A250 PolarHBondContact O-N 3.46Å; A250-D253 PolarHBondContact O-N 2.94Å; A250-T254 WeakPolarHBondContact O-CB 3.29Å; A250-T254 VanDerWaalsContact O-CG2 3.24Å; A250-T254 WeakPolarHBondContact O-CG2 3.33Å; A250-T254 PolarHBondContact O-N 3.28Å; A250-T254 PolarHBondContact O-OG1 3.14Å
251	K	82	Confident	77.5	Confident	154 Å²	154	98.4 Å²	98.4	67%	0.67	50%	0.502	S	S	*	.	H	α-helix	trans	-65.6	-39.4	173.1	-175	-179.8	-179.2	-179	0	111.6	I247 E248 S249 T254 K255	I247-K251 WeakPolarHBondContact O-CB 3.38Å; I247-K251 PolarHBondContact O-N 3.44Å; E248-K251 PolarHBondContact O-N 3.43Å; S249-K251 VanDerWaalsContact C-N 3.31Å; S249-K251 PolarHBondContact O-N 3.36Å; K251-T254 WeakPolarHBondContact CA-OG1 3.35Å; K251-T254 PolarHBondContact O-OG1 3.34Å; K251-K255 WeakPolarHBondContact O-CB 3.47Å; K251-K255 PolarHBondContact O-N 2.85Å; K251-K255 VanDerWaalsContact O-N 3.14Å
252	A	83.1	Confident	78	Confident	43 Å²	43	94.8 Å²	94.8	36%	0.355	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-42.7	174.9	0	0	0	0	0	111.7	E248 S249 K255 K256	E248-A252 PolarHBondContact O-N 2.97Å; S249-A252 WeakPolarHBondContact O-CB 3.16Å; S249-A252 PolarHBondContact O-N 3.12Å; S249-A252 VanDerWaalsContact O-N 3.12Å; A252-K255 WeakPolarHBondContact O-CB 3.35Å; A252-K255 PolarHBondContact O-N 2.85Å; A252-K256 WeakPolarHBondContact O-CG 3.4Å; A252-K256 PolarHBondContact O-N 2.92Å
253	D	82.6	Confident	78.7	Confident	87 Å²	87	95 Å²	95	47%	0.465	50%	0.498	S	S	.	.	H	α-helix	trans	-73.3	-38.2	-178.9	-74.1	-15.5	0	0	0	112.9	S249 A250 K255 K256 A257	S249-D253 PolarHBondContact O-N 3.42Å; A250-D253 PolarHBondContact O-N 2.94Å; D253-K255 VanDerWaalsContact C-N 3.3Å; D253-K255 PolarHBondContact O-N 2.88Å; D253-K256 PolarHBondContact O-N 3.46Å; D253-K256 IonicContact OD1-NZ 2.76Å; D253-K256 PolarHBondContact OD1-NZ 3.44Å; D253-A257 WeakPolarHBondContact O-CB 3.49Å; D253-A257 PolarHBondContact O-N 3.4Å
254	T	82.2	Confident	79.3	Confident	86 Å²	86	96 Å²	96	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-40.3	170.1	50.1	0	0	0	0	111.1	A250 K251 A257 V258	A250-T254 WeakPolarHBondContact O-CB 3.29Å; A250-T254 VanDerWaalsContact O-CG2 3.24Å; A250-T254 WeakPolarHBondContact O-CG2 3.33Å; A250-T254 PolarHBondContact O-N 3.28Å; A250-T254 PolarHBondContact O-OG1 3.14Å; K251-T254 WeakPolarHBondContact CA-OG1 3.35Å; K251-T254 PolarHBondContact O-OG1 3.34Å; T254-A257 PolarHBondContact O-N 2.91Å; T254-V258 WeakPolarHBondContact O-CG2 3.49Å; T254-V258 PolarHBondContact O-N 3.4Å
255	K	82.8	Confident	79.9	Confident	145 Å²	145	98.8 Å²	98.8	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-63.7	-40.5	173.8	-172	176.8	-175.7	177.5	0	112.5	K251 A252 D253 K259	K251-K255 WeakPolarHBondContact O-CB 3.47Å; K251-K255 PolarHBondContact O-N 2.85Å; K251-K255 VanDerWaalsContact O-N 3.14Å; A252-K255 WeakPolarHBondContact O-CB 3.35Å; A252-K255 PolarHBondContact O-N 2.85Å; D253-K255 VanDerWaalsContact C-N 3.3Å; D253-K255 PolarHBondContact O-N 2.88Å; K255-K259 WeakPolarHBondContact O-CG 3.44Å; K255-K259 PolarHBondContact O-N 2.83Å
256	K	84.9	Confident	80.7	Confident	107 Å²	107	102.1 Å²	102.1	47%	0.465	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-44.7	172.6	-70.1	172.4	-163.4	153.7	0	111	A252 D253 V258 K259 Y260	A252-K256 WeakPolarHBondContact O-CG 3.4Å; A252-K256 PolarHBondContact O-N 2.92Å; D253-K256 PolarHBondContact O-N 3.46Å; D253-K256 IonicContact OD1-NZ 2.76Å; D253-K256 PolarHBondContact OD1-NZ 3.44Å; K256-V258 PolarHBondContact O-N 3.18Å; K256-K259 WeakPolarHBondContact O-CA 3.35Å; K256-K259 WeakPolarHBondContact O-CB 3.38Å; K256-K259 PolarHBondContact O-N 2.84Å; K256-K259 VanDerWaalsContact O-N 3.09Å; K256-Y260 HydrophobicContact CB-CD2 4.3Å; K256-Y260 HydrophobicContact CB-CE2 4.12Å; K256-Y260 WeakPolarHBondContact O-CD2 3.42Å; K256-Y260 PolarHBondContact O-N 3.42Å
257	A	81.4	Confident	81.4	Confident	53 Å²	53	101.3 Å²	101.3	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-59	-44.6	179.4	0	0	0	0	0	111.6	D253 T254 K259 Y260 Q261	D253-A257 WeakPolarHBondContact O-CB 3.49Å; D253-A257 PolarHBondContact O-N 3.4Å; T254-A257 PolarHBondContact O-N 2.91Å; A257-K259 PolarHBondContact O-N 2.78Å; A257-Y260 PolarHBondContact O-N 3.44Å; A257-Q261 WeakPolarHBondContact O-CB 3.42Å; A257-Q261 PolarHBondContact O-N 3.09Å
258	V	82.3	Confident	81.8	Confident	88 Å²	88	102.1 Å²	102.1	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-42.3	173.8	172.4	0	0	0	0	111.5	T254 K256 Q261 S262	T254-V258 WeakPolarHBondContact O-CG2 3.49Å; T254-V258 PolarHBondContact O-N 3.4Å; K256-V258 PolarHBondContact O-N 3.18Å; V258-Q261 PolarHBondContact O-N 3.42Å; V258-S262 WeakPolarHBondContact O-CB 3.14Å; V258-S262 PolarHBondContact O-N 2.85Å; V258-S262 PolarHBondContact O-OG 3.26Å
259	K	83.2	Confident	82.5	Confident	134 Å²	134	101 Å²	101	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-62.4	-44.9	175	-76.3	-175	176.9	-173.5	0	112.1	K255 K256 A257 S262 S263	K255-K259 WeakPolarHBondContact O-CG 3.44Å; K255-K259 PolarHBondContact O-N 2.83Å; K256-K259 WeakPolarHBondContact O-CA 3.35Å; K256-K259 WeakPolarHBondContact O-CB 3.38Å; K256-K259 PolarHBondContact O-N 2.84Å; K256-K259 VanDerWaalsContact O-N 3.09Å; A257-K259 PolarHBondContact O-N 2.78Å; K259-S262 PolarHBondContact O-N 2.8Å; K259-S262 PolarHBondContact O-OG 3.39Å; K259-S263 PolarHBondContact O-N 3.31Å; K259-S263 PolarHBondContact O-OG 3.29Å
260	Y	84.1	Confident	83.2	Confident	172 Å²	172	102.9 Å²	102.9	68%	0.675	52%	0.522	S	S	*	.	H	α-helix	trans	-63.1	-45.2	176.7	-74.9	-58.9	0	0	0	111.6	K256 A257 S262 S263 A264	K256-Y260 HydrophobicContact CB-CD2 4.3Å; K256-Y260 HydrophobicContact CB-CE2 4.12Å; K256-Y260 WeakPolarHBondContact O-CD2 3.42Å; K256-Y260 PolarHBondContact O-N 3.42Å; A257-Y260 PolarHBondContact O-N 3.44Å; Y260-S262 PolarHBondContact O-N 3.37Å; Y260-S263 PolarHBondContact O-N 3.2Å; Y260-A264 WeakPolarHBondContact O-CB 3.39Å; Y260-A264 PolarHBondContact O-N 3.45Å
261	Q	79.3	Confident	83.7	Confident	111 Å²	111	104.9 Å²	104.9	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-60	-45.6	176.4	-168.5	-170.4	30.3	0	0	111.4	A257 V258 S263 A264 R265	A257-Q261 WeakPolarHBondContact O-CB 3.42Å; A257-Q261 PolarHBondContact O-N 3.09Å; V258-Q261 PolarHBondContact O-N 3.42Å; Q261-S263 VanDerWaalsContact C-N 3.34Å; Q261-S263 PolarHBondContact O-N 2.95Å; Q261-A264 PolarHBondContact O-N 3.03Å; Q261-R265 WeakPolarHBondContact O-CG 3.34Å; Q261-R265 PolarHBondContact O-N 2.96Å
262	S	81.8	Confident	84.1	Confident	42 Å²	42	99.5 Å²	99.5	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.6	74.1	0	0	0	0	113.1	V258 K259 Y260 K266	V258-S262 WeakPolarHBondContact O-CB 3.14Å; V258-S262 PolarHBondContact O-N 2.85Å; V258-S262 PolarHBondContact O-OG 3.26Å; K259-S262 PolarHBondContact O-N 2.8Å; K259-S262 PolarHBondContact O-OG 3.39Å; Y260-S262 PolarHBondContact O-N 3.37Å; S262-K266 PolarHBondContact O-N 3.25Å
263	S	82.7	Confident	84.5	Confident	61 Å²	61	102 Å²	102	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-73.9	-37.8	178.3	-57.6	0	0	0	0	112	K259 Y260 Q261 K266 K267	K259-S263 PolarHBondContact O-N 3.31Å; K259-S263 PolarHBondContact O-OG 3.29Å; Y260-S263 PolarHBondContact O-N 3.2Å; Q261-S263 VanDerWaalsContact C-N 3.34Å; Q261-S263 PolarHBondContact O-N 2.95Å; S263-K266 PolarHBondContact O-N 2.97Å; S263-K267 WeakPolarHBondContact O-CG 3.37Å; S263-K267 PolarHBondContact O-N 3.27Å; S263-K267 VanDerWaalsContact O-N 3.11Å
264	A	82.1	Confident	84.9	Confident	49 Å²	49	101 Å²	101	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-43.7	174.2	0	0	0	0	0	111.3	Y260 Q261 K266 K267 M268	Y260-A264 WeakPolarHBondContact O-CB 3.39Å; Y260-A264 PolarHBondContact O-N 3.45Å; Q261-A264 PolarHBondContact O-N 3.03Å; A264-K266 VanDerWaalsContact C-N 3.34Å; A264-K266 PolarHBondContact O-N 3.03Å; A264-K267 PolarHBondContact O-N 2.95Å; A264-K267 VanDerWaalsContact O-N 3.12Å; A264-M268 WeakPolarHBondContact O-CG 3.27Å; A264-M268 PolarHBondContact O-N 2.86Å
265	R	82.8	Confident	85.4	Confident	141 Å²	141	100.5 Å²	100.5	53%	0.532	51%	0.514	S	S	.	.	H	α-helix	trans	-55.7	-45.9	174.4	-75.3	-171.5	-68.1	-147.6	0.4	112.3	Q261 K267 M268 I269	Q261-R265 WeakPolarHBondContact O-CG 3.34Å; Q261-R265 PolarHBondContact O-N 2.96Å; R265-K267 PolarHBondContact O-N 3.38Å; R265-M268 PolarHBondContact O-N 2.84Å; R265-I269 WeakPolarHBondContact O-CG1 3.49Å; R265-I269 PolarHBondContact O-N 3.42Å
266	K	85.7	Confident	85.7	Confident	145 Å²	145	96 Å²	96	63%	0.63	50%	0.504	S	S	*	.	H	α-helix	trans	-60.3	-43.3	176	-69.4	-179.4	-177.5	-175.4	0	112.2	S262 S263 A264 I269 I270	S262-K266 PolarHBondContact O-N 3.25Å; S263-K266 PolarHBondContact O-N 2.97Å; A264-K266 VanDerWaalsContact C-N 3.34Å; A264-K266 PolarHBondContact O-N 3.03Å; K266-I269 PolarHBondContact O-N 2.88Å; K266-I270 WeakPolarHBondContact O-CG1 3.33Å; K266-I270 PolarHBondContact O-N 3.1Å; K266-I270 VanDerWaalsContact O-N 3.1Å
267	K	85.7	Confident	86.1	Confident	141 Å²	141	95.4 Å²	95.4	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-64.9	-40.6	176.8	-70.6	-179.1	-179.8	-174.7	0	112.2	S263 A264 R265 I269 I270 I271	S263-K267 WeakPolarHBondContact O-CG 3.37Å; S263-K267 PolarHBondContact O-N 3.27Å; S263-K267 VanDerWaalsContact O-N 3.11Å; A264-K267 PolarHBondContact O-N 2.95Å; A264-K267 VanDerWaalsContact O-N 3.12Å; R265-K267 PolarHBondContact O-N 3.38Å; K267-I269 VanDerWaalsContact C-N 3.34Å; K267-I269 PolarHBondContact O-N 3.26Å; K267-I270 PolarHBondContact O-N 3.42Å; K267-I271 WeakPolarHBondContact O-CB 3.32Å; K267-I271 VanDerWaalsContact O-CG1 3.27Å; K267-I271 WeakPolarHBondContact O-CG1 3.34Å; K267-I271 PolarHBondContact O-N 3.49Å
268	M	84.5	Confident	86.6	Confident	134 Å²	134	97.8 Å²	97.8	66%	0.66	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-39.2	177.3	-69.1	-65.2	-84.8	0	0	111.9	A264 R265 I271 G272	A264-M268 WeakPolarHBondContact O-CG 3.27Å; A264-M268 PolarHBondContact O-N 2.86Å; R265-M268 PolarHBondContact O-N 2.84Å; M268-I271 PolarHBondContact O-N 3.45Å; M268-G272 PolarHBondContact O-N 2.86Å
269	I	87.6	Confident	87	Confident	109 Å²	109	98.1 Å²	98.1	56%	0.559	51%	0.508	S	S	*	.	H	α-helix	trans	-62.8	-45.8	173.9	-67.4	167	0	0	0	110.6	R265 K266 K267 G272 I273	R265-I269 WeakPolarHBondContact O-CG1 3.49Å; R265-I269 PolarHBondContact O-N 3.42Å; K266-I269 PolarHBondContact O-N 2.88Å; K267-I269 VanDerWaalsContact C-N 3.34Å; K267-I269 PolarHBondContact O-N 3.26Å; I269-G272 PolarHBondContact O-N 3.12Å; I269-I273 HydrophobicContact CG2-CD1 3.94Å; I269-I273 WeakPolarHBondContact O-CG1 3.5Å; I269-I273 PolarHBondContact O-N 3.11Å
270	I	88	Confident	87.3	Confident	104 Å²	104	96 Å²	96	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-46.2	178	-66.8	165.9	0	0	0	110.9	K266 K267 G272 I273 C274	K266-I270 WeakPolarHBondContact O-CG1 3.33Å; K266-I270 PolarHBondContact O-N 3.1Å; K266-I270 VanDerWaalsContact O-N 3.1Å; K267-I270 PolarHBondContact O-N 3.42Å; I270-G272 VanDerWaalsContact C-N 3.33Å; I270-G272 PolarHBondContact O-N 3.26Å; I270-I273 PolarHBondContact O-N 2.96Å; I270-C274 PolarHBondContact O-N 2.97Å; I270-C274 PolarHBondContact O-SG 3.43Å
271	I	89.5	Confident	87.5	Confident	97 Å²	97	92.6 Å²	92.6	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-43.8	176.6	-68.6	166	0	0	0	110.5	K267 M268 I273 C274 V275	K267-I271 WeakPolarHBondContact O-CB 3.32Å; K267-I271 VanDerWaalsContact O-CG1 3.27Å; K267-I271 WeakPolarHBondContact O-CG1 3.34Å; K267-I271 PolarHBondContact O-N 3.49Å; M268-I271 PolarHBondContact O-N 3.45Å; I271-I273 PolarHBondContact O-N 3.36Å; I271-C274 PolarHBondContact O-N 3.45Å; I271-V275 HydrophobicContact CG2-CG2 4.34Å; I271-V275 VanDerWaalsContact O-CG2 3.31Å; I271-V275 WeakPolarHBondContact O-CG2 3.44Å; I271-V275 PolarHBondContact O-N 3.28Å
272	G	89.6	Confident	87.9	Confident	40 Å²	40	91.6 Å²	91.6	41%	0.412	50%	0.499	S	S	.	.	H	α-helix	trans	-58.8	-43.3	176	0	0	0	0	0	113	M268 I269 I270 V275 A276	M268-G272 PolarHBondContact O-N 2.86Å; I269-G272 PolarHBondContact O-N 3.12Å; I270-G272 VanDerWaalsContact C-N 3.33Å; I270-G272 PolarHBondContact O-N 3.26Å; G272-V275 PolarHBondContact O-N 2.96Å; G272-A276 WeakPolarHBondContact O-CB 3.31Å; G272-A276 PolarHBondContact O-N 3.44Å
273	I	91.3	Very high	88.2	Confident	95 Å²	95	93.4 Å²	93.4	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-45.2	175	-66.8	166.2	0	0	0	110.9	I269 I270 I271 V275 A276 I277	I269-I273 HydrophobicContact CG2-CD1 3.94Å; I269-I273 WeakPolarHBondContact O-CG1 3.5Å; I269-I273 PolarHBondContact O-N 3.11Å; I270-I273 PolarHBondContact O-N 2.96Å; I271-I273 PolarHBondContact O-N 3.36Å; I273-V275 VanDerWaalsContact C-N 3.35Å; I273-V275 PolarHBondContact O-N 3.44Å; I273-A276 PolarHBondContact O-N 2.91Å; I273-I277 HydrophobicContact CG2-CD1 3.85Å; I273-I277 HydrophobicContact CG2-CG1 4.49Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.31Å; I273-I277 PolarHBondContact O-N 3.27Å
274	C	90.9	Very high	88.3	Confident	68 Å²	68	92.6 Å²	92.6	46%	0.459	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-41.8	177.7	-69.5	0	0	0	0	112.4	I270 I271 I277 L278	I270-C274 PolarHBondContact O-N 2.97Å; I270-C274 PolarHBondContact O-SG 3.43Å; I271-C274 PolarHBondContact O-N 3.45Å; C274-I277 PolarHBondContact O-N 3.45Å; C274-L278 PolarHBondContact O-N 3.31Å
275	V	92.6	Very high	88.3	Confident	74 Å²	74	94.2 Å²	94.2	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-43	176.3	171.7	0	0	0	0	110.9	I271 G272 I273 I277 L278 I279	I271-V275 HydrophobicContact CG2-CG2 4.34Å; I271-V275 VanDerWaalsContact O-CG2 3.31Å; I271-V275 WeakPolarHBondContact O-CG2 3.44Å; I271-V275 PolarHBondContact O-N 3.28Å; G272-V275 PolarHBondContact O-N 2.96Å; I273-V275 VanDerWaalsContact C-N 3.35Å; I273-V275 PolarHBondContact O-N 3.44Å; V275-I277 PolarHBondContact O-N 3.45Å; V275-L278 PolarHBondContact O-N 2.9Å; V275-I279 HydrophobicContact CG1-CD1 3.86Å; V275-I279 HydrophobicContact CG1-CG1 4.45Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.29Å
276	A	91	Very high	88.2	Confident	50 Å²	50	92.4 Å²	92.4	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-43.6	176.1	0	0	0	0	0	112	G272 I273 I279 C280	G272-A276 WeakPolarHBondContact O-CB 3.31Å; G272-A276 PolarHBondContact O-N 3.44Å; I273-A276 PolarHBondContact O-N 2.91Å; A276-I279 PolarHBondContact O-N 2.94Å; A276-C280 PolarHBondContact O-N 3.24Å; A276-C280 PolarHBondContact O-SG 2.95Å
277	I	91.7	Very high	87.8	Confident	96 Å²	96	90.5 Å²	90.5	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-45.1	176.2	-67.2	165.8	0	0	0	111.1	I273 C274 V275 I279 C280 I281	I273-I277 HydrophobicContact CG2-CD1 3.85Å; I273-I277 HydrophobicContact CG2-CG1 4.49Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.31Å; I273-I277 PolarHBondContact O-N 3.27Å; C274-I277 PolarHBondContact O-N 3.45Å; V275-I277 PolarHBondContact O-N 3.45Å; I277-I279 PolarHBondContact O-N 2.96Å; I277-C280 PolarHBondContact O-N 3.24Å; I277-I281 HydrophobicContact CG2-CD1 3.9Å; I277-I281 HydrophobicContact CG2-CG1 4.49Å; I277-I281 WeakPolarHBondContact O-CG1 3.31Å; I277-I281 PolarHBondContact O-N 2.98Å
278	L	91.7	Very high	87.1	Confident	103 Å²	103	87 Å²	87	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-59	-44.9	176.6	-95.6	160.9	0	0	0	112.1	C274 V275 I281 I282	C274-L278 PolarHBondContact O-N 3.31Å; V275-L278 PolarHBondContact O-N 2.9Å; L278-I281 PolarHBondContact O-N 3.28Å; L278-I282 VanDerWaalsContact O-CG1 3.29Å; L278-I282 WeakPolarHBondContact O-CG1 3.33Å; L278-I282 PolarHBondContact O-N 3.37Å
279	I	91.2	Very high	86.2	Confident	95 Å²	95	88.3 Å²	88.3	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-45.7	176.1	-68	168.3	0	0	0	110.4	V275 A276 I277 I281 I282 V283	V275-I279 HydrophobicContact CG1-CD1 3.86Å; V275-I279 HydrophobicContact CG1-CG1 4.45Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.29Å; A276-I279 PolarHBondContact O-N 2.94Å; I277-I279 PolarHBondContact O-N 2.96Å; I279-I281 VanDerWaalsContact C-N 3.31Å; I279-I281 PolarHBondContact O-N 3.02Å; I279-I282 PolarHBondContact O-N 3.24Å; I279-V283 HydrophobicContact CG2-CG2 4.21Å; I279-V283 WeakPolarHBondContact O-CB 3.22Å; I279-V283 VanDerWaalsContact O-CG2 3.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.45Å; I279-V283 PolarHBondContact O-N 3.46Å
280	C	88.9	Confident	84.9	Confident	90 Å²	90	88 Å²	88	61%	0.608	53%	0.527	S	S	*	.	H	α-helix	trans	-59.4	-40	177.1	-70.8	0	0	0	0	112.5	A276 I277 G284	A276-C280 PolarHBondContact O-N 3.24Å; A276-C280 PolarHBondContact O-SG 2.95Å; I277-C280 PolarHBondContact O-N 3.24Å; C280-G284 PolarHBondContact O-N 3.46Å
281	I	89.6	Confident	83.5	Confident	100 Å²	100	88.4 Å²	88.4	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-47.1	176.3	-67.5	166.3	0	0	0	110.5	I277 L278 I279 G284 T285	I277-I281 HydrophobicContact CG2-CD1 3.9Å; I277-I281 HydrophobicContact CG2-CG1 4.49Å; I277-I281 WeakPolarHBondContact O-CG1 3.31Å; I277-I281 PolarHBondContact O-N 2.98Å; L278-I281 PolarHBondContact O-N 3.28Å; I279-I281 VanDerWaalsContact C-N 3.31Å; I279-I281 PolarHBondContact O-N 3.02Å; I281-G284 PolarHBondContact O-N 2.89Å; I281-T285 HydrophobicContact CG2-CG2 4.49Å; I281-T285 WeakPolarHBondContact O-CG2 3.33Å; I281-T285 PolarHBondContact O-N 3.26Å; I281-T285 PolarHBondContact O-OG1 2.94Å
282	I	88.2	Confident	81.8	Confident	90 Å²	90	86.8 Å²	86.8	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-44.3	179.7	-67.8	165.5	0	0	0	111	L278 I279 T285 I286	L278-I282 VanDerWaalsContact O-CG1 3.29Å; L278-I282 WeakPolarHBondContact O-CG1 3.33Å; L278-I282 PolarHBondContact O-N 3.37Å; I279-I282 PolarHBondContact O-N 3.24Å; I282-T285 PolarHBondContact O-N 2.87Å; I282-T285 PolarHBondContact O-OG1 3.05Å; I282-I286 HydrophobicContact CG2-CD1 3.8Å; I282-I286 WeakPolarHBondContact O-CD1 3.29Å; I282-I286 VanDerWaalsContact O-CG1 3.22Å; I282-I286 WeakPolarHBondContact O-CG1 3.22Å; I282-I286 PolarHBondContact O-N 2.96Å
283	V	86.8	Confident	79.5	Confident	80 Å²	80	96.8 Å²	96.8	49%	0.485	59%	0.585	S	S	.	*	H	α-helix	trans	-64.8	-42.4	176.5	173.7	0	0	0	0	110.5	I279 T285 I286 V287	I279-V283 HydrophobicContact CG2-CG2 4.21Å; I279-V283 WeakPolarHBondContact O-CB 3.22Å; I279-V283 VanDerWaalsContact O-CG2 3.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.45Å; I279-V283 PolarHBondContact O-N 3.46Å; V283-T285 PolarHBondContact O-N 3.36Å; V283-I286 PolarHBondContact O-N 3.48Å; V283-V287 HydrophobicContact CG1-CG2 4.24Å; V283-V287 WeakPolarHBondContact O-CB 3.48Å; V283-V287 VanDerWaalsContact O-CG2 3.22Å; V283-V287 WeakPolarHBondContact O-CG2 3.42Å; V283-V287 PolarHBondContact O-N 3.25Å
284	G	84.2	Confident	78.9	Confident	44 Å²	44	96.9 Å²	96.9	45%	0.454	59%	0.59	S	S	.	*	H	α-helix	trans	-62.1	-40.7	177.6	0	0	0	0	0	113.4	C280 I281 G288	C280-G284 PolarHBondContact O-N 3.46Å; I281-G284 PolarHBondContact O-N 2.89Å; G284-G288 PolarHBondContact O-N 2.99Å
285	T	82.8	Confident	78.3	Confident	83 Å²	83	98.4 Å²	98.4	51%	0.509	60%	0.597	S	S	.	*	H	α-helix	trans	-70.3	-39.2	176.7	54.6	0	0	0	0	112	I281 I282 V283 G288 M289	I281-T285 HydrophobicContact CG2-CG2 4.49Å; I281-T285 WeakPolarHBondContact O-CG2 3.33Å; I281-T285 PolarHBondContact O-N 3.26Å; I281-T285 PolarHBondContact O-OG1 2.94Å; I282-T285 PolarHBondContact O-N 2.87Å; I282-T285 PolarHBondContact O-OG1 3.05Å; V283-T285 PolarHBondContact O-N 3.36Å; T285-G288 PolarHBondContact O-N 3.25Å; T285-M289 VanDerWaalsContact O-CB 3.25Å; T285-M289 WeakPolarHBondContact O-CB 3.4Å; T285-M289 PolarHBondContact O-N 3.44Å
286	I	80.6	Confident	77.5	Confident	103 Å²	103	99.8 Å²	99.8	53%	0.528	61%	0.605	S	S	.	*	H	α-helix	trans	-63.5	-47.4	176.1	-67.1	166.1	0	0	0	110.4	I282 V283 G288 M289 V290	I282-I286 HydrophobicContact CG2-CD1 3.8Å; I282-I286 WeakPolarHBondContact O-CD1 3.29Å; I282-I286 VanDerWaalsContact O-CG1 3.22Å; I282-I286 WeakPolarHBondContact O-CG1 3.22Å; I282-I286 PolarHBondContact O-N 2.96Å; V283-I286 PolarHBondContact O-N 3.48Å; I286-G288 VanDerWaalsContact C-N 3.34Å; I286-G288 PolarHBondContact O-N 3.24Å; I286-M289 PolarHBondContact O-N 3.4Å; I286-V290 WeakPolarHBondContact O-CG2 3.25Å; I286-V290 PolarHBondContact O-N 3.01Å
287	V	77.4	Confident	76.7	Confident	104 Å²	104	102.7 Å²	102.7	63%	0.63	62%	0.617	S	S	*	*	H	α-helix	trans	-64.1	-38.8	179.3	174.9	0	0	0	0	111.5	V283 M289	V283-V287 HydrophobicContact CG1-CG2 4.24Å; V283-V287 WeakPolarHBondContact O-CB 3.48Å; V283-V287 VanDerWaalsContact O-CG2 3.22Å; V283-V287 WeakPolarHBondContact O-CG2 3.42Å; V283-V287 PolarHBondContact O-N 3.25Å; V287-M289 VanDerWaalsContact C-N 3.33Å; V287-M289 PolarHBondContact O-N 3.5Å
288	G	70.4	Confident	75.7	Confident	67 Å²	67	103.1 Å²	103.1	69%	0.691	63%	0.625	S	S	*	*	H	α-helix	trans	-72.7	-21.9	177.5	0	0	0	0	0	114.7	G284 T285 I286	G284-G288 PolarHBondContact O-N 2.99Å; T285-G288 PolarHBondContact O-N 3.25Å; I286-G288 VanDerWaalsContact C-N 3.34Å; I286-G288 PolarHBondContact O-N 3.24Å
289	M	66	Low	74.7	Confident	163 Å²	163	103.1 Å²	103.1	80%	0.803	63%	0.63	S	S	*	*	H	α-helix	trans	-95.9	-1.6	-179.7	-146.4	171.6	-170.8	0	0	112.9	T285 I286 V287 P291	T285-M289 VanDerWaalsContact O-CB 3.25Å; T285-M289 WeakPolarHBondContact O-CB 3.4Å; T285-M289 PolarHBondContact O-N 3.44Å; I286-M289 PolarHBondContact O-N 3.4Å; V287-M289 VanDerWaalsContact C-N 3.33Å; V287-M289 PolarHBondContact O-N 3.5Å; M289-P291 WeakPolarHBondContact O-CD 3.03Å
290	V	61.4	Low	73.5	Confident	101 Å²	101	103.7 Å²	103.7	61%	0.612	64%	0.64	S	S	*	*	S	Bend	trans	-91.4	95.1	165.7	179.3	0	0	0	0	107.7	I286 G292	I286-V290 WeakPolarHBondContact O-CG2 3.25Å; I286-V290 PolarHBondContact O-N 3.01Å; V290-G292 PolarHBondContact O-N 3.44Å
291	P	58	Low	72.3	Confident	114 Å²	114	104.8 Å²	104.8	74%	0.74	64%	0.643	S	S	*	*			trans	-62.7	132.3	168.9	28.4	-33.3	0	0	0	108.5	M289	M289-P291 WeakPolarHBondContact O-CD 3.03Å
292	G	52.6	Low	70.9	Confident	63 Å²	63	105.2 Å²	105.2	65%	0.649	65%	0.654	S	S	*	*			trans	-46.2	150.5	-178.2	0	0	0	0	0	114.5	V290	V290-G292 PolarHBondContact O-N 3.44Å
293	I	42.1	Very low	69.3	Low	250 Å²	250	106.5 Å²	106.5	100%	1.282	67%	0.671	S	S	*	*				16.8	0	70.5	-38.8	-176.8	0	0	0	114

Retrieved 293 of 293 residues in 363.8 ms (Link to these results)

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