A0A077Z3N6_TRITR Loading...

High mobility group protein 1.2

AlphaFold DB , UniProt , Accession A0A077Z3N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	52.3	Low	245 Å²	245	144.8 Å²	144.8	100%	1.207	85%	0.846	S	S	*	*				0	136.3	0	-63.5	-160.6	168.5	0	0	107.8
2	P	54.4	Low	51.8	Low	128 Å²	128	142.8 Å²	142.8	83%	0.831	84%	0.843	S	S	*	*			cis	-114.2	151.3	-3	31.6	-14.4	0	0	0	113.5
3	C	42.7	Very low	51.2	Low	131 Å²	131	137.8 Å²	137.8	89%	0.885	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.5	130.5	173.2	-69.9	0	0	0	0	111.4
4	S	61	Low	51.4	Low	103 Å²	103	139.6 Å²	139.6	72%	0.72	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.9	139.2	171.5	-58.7	0	0	0	0	111.4
5	P	63.4	Low	51	Low	127 Å²	127	138.5 Å²	138.5	83%	0.825	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72	132.3	176.2	-9.7	25.6	0	0	0	110.9
6	W	51.9	Low	50.6	Low	236 Å²	236	142.1 Å²	142.1	89%	0.894	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.2	143.8	172.7	-71.9	52.8	0	0	0	110
7	P	59	Low	50.5	Low	108 Å²	108	138.6 Å²	138.6	70%	0.701	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68	154.4	177.4	29.1	-33.7	0	0	0	111.2	L9	P7-L9 PolarHBondContact O-N 3.49Å
8	P	52.2	Low	50.5	Low	125 Å²	125	137.8 Å²	137.8	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.7	121	-177.7	25	-32.5	0	0	0	111.2	S10	P8-S10 PolarHBondContact O-N 2.9Å
9	L	44.7	Very low	50	Low	171 Å²	171	138.6 Å²	138.6	90%	0.895	80%	0.803	S	S	*	*			trans	-65.1	75.8	163.4	-77.5	152.1	0	0	0	109.5	P7 S11	P7-L9 PolarHBondContact O-N 3.49Å; L9-S11 PolarHBondContact O-N 3.23Å
10	S	51.8	Low	49.8	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	80%	0.796	S	S	*	*			trans	-93.4	83.5	158.1	-161.9	0	0	0	0	107.8	P8	P8-S10 PolarHBondContact O-N 2.9Å
11	S	52.2	Low	49.8	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	80%	0.797	S	S	*	*			trans	-8.1	115.8	165.2	-70.1	0	0	0	0	118	L9	L9-S11 PolarHBondContact O-N 3.23Å
12	C	47	Very low	50.1	Low	121 Å²	121	131.5 Å²	131.5	82%	0.818	77%	0.774	S	S	*	*			trans	-47.5	139.1	140.9	-64.2	0	0	0	0	109.9
13	P	44	Very low	49.9	Very low	77 Å²	77	131.6 Å²	131.6	50%	0.5	77%	0.772	S	S	.	*				-147.3	140.4	97.6	20	4.1	0	0	0	111.6	L15	P13-L15 HydrophobicContact CB-CD1 4.43Å; P13-L15 HydrophobicContact CB-CG 3.98Å; P13-L15 HydrophobicContact CG-CD1 3.61Å; P13-L15 HydrophobicContact CG-CG 3.72Å; P13-L15 PolarHBondContact O-N 3Å
14	I	53.3	Low	50.2	Low	164 Å²	164	129 Å²	129	84%	0.841	76%	0.76	S	S	*	*				44.1	12	89.4	-51.1	175	0	0	0	115.1
15	L	45.5	Very low	49.3	Very low	123 Å²	123	129.7 Å²	129.7	64%	0.644	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	15.9	-174.9	-79	176.1	0	0	0	115.3	P13	P13-L15 HydrophobicContact CB-CD1 4.43Å; P13-L15 HydrophobicContact CB-CG 3.98Å; P13-L15 HydrophobicContact CG-CD1 3.61Å; P13-L15 HydrophobicContact CG-CG 3.72Å; P13-L15 PolarHBondContact O-N 3Å
16	H	45	Very low	48.3	Very low	196 Å²	196	128.8 Å²	128.8	91%	0.907	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	11.7	170	-93.4	-100.6	0	0	0	114.1
17	A	48.2	Very low	47.9	Very low	82 Å²	82	127.2 Å²	127.2	68%	0.678	76%	0.758	S	S	*	*			trans	-99.3	32.2	172.8	0	0	0	0	0	113.2	L19	A17-L19 PolarHBondContact O-N 3.44Å
18	V	50.7	Low	47	Very low	125 Å²	125	131 Å²	131	76%	0.758	76%	0.764	S	S	*	*			trans	-96.8	52.3	161.2	-160.3	0	0	0	0	108.5	S20	V18-S20 PolarHBondContact O-N 3.29Å
19	L	41.4	Very low	46.4	Very low	153 Å²	153	133.4 Å²	133.4	80%	0.801	76%	0.764	S	S	*	*			trans	-75.7	107.6	171.7	-170.4	73	0	0	0	107.5	A17	A17-L19 PolarHBondContact O-N 3.44Å
20	S	45.2	Very low	46.4	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	76%	0.757	S	S	*	*			trans	56.4	67	153.1	-58.3	0	0	0	0	117	V18 V22	V18-S20 PolarHBondContact O-N 3.29Å; S20-V22 PolarHBondContact O-N 3.04Å
21	L	50	Low	46.1	Very low	158 Å²	158	133.6 Å²	133.6	83%	0.827	76%	0.758	S	S	*	*			trans	-71.2	88	150.6	-112.6	140.2	0	0	0	107.9	V23	L21-V23 PolarHBondContact O-N 2.9Å
22	V	48.9	Very low	46.3	Very low	118 Å²	118	135 Å²	135	72%	0.715	76%	0.762	S	S	*	*			trans	-54.6	105.2	165.1	175.3	0	0	0	0	107.1	S20 A24	S20-V22 PolarHBondContact O-N 3.04Å; V22-A24 VanDerWaalsContact C-N 3.29Å; V22-A24 PolarHBondContact O-N 3.45Å
23	V	49.9	Very low	47	Very low	131 Å²	131	137.8 Å²	137.8	79%	0.794	76%	0.755	S	S	*	*			trans	-61.9	97.6	165.3	173.7	0	0	0	0	106.2	L21	L21-V23 PolarHBondContact O-N 2.9Å
24	A	48.1	Very low	48	Very low	75 Å²	75	139 Å²	139	62%	0.62	75%	0.754	S	S	*	*			trans	-54.7	126.8	171.3	0	0	0	0	0	108.1	V22 S26	V22-A24 VanDerWaalsContact C-N 3.29Å; V22-A24 PolarHBondContact O-N 3.45Å; A24-S26 PolarHBondContact O-N 3.22Å
25	P	43.9	Very low	48.9	Very low	118 Å²	118	136.2 Å²	136.2	77%	0.766	76%	0.756	S	S	*	*			trans	-64.6	111.1	175.1	25.5	-30.1	0	0	0	106.8	K27	P25-K27 PolarHBondContact O-N 3.15Å
26	S	40.7	Very low	50.4	Low	108 Å²	108	133.5 Å²	133.5	76%	0.755	76%	0.757	S	S	*	*			trans	-53.3	107.6	170.1	179.8	0	0	0	0	107.2	A24 K28	A24-S26 PolarHBondContact O-N 3.22Å; S26-K28 PolarHBondContact O-N 3.31Å
27	K	44.8	Very low	52.2	Low	204 Å²	204	128.2 Å²	128.2	89%	0.887	73%	0.732	S	S	*	*			trans	-61.4	87.5	168.8	-74.5	179.8	179.6	178.1	0	106.1	P25 Q29	P25-K27 PolarHBondContact O-N 3.15Å; K27-Q29 PolarHBondContact O-N 3.47Å
28	K	39.9	Very low	54	Low	188 Å²	188	125 Å²	125	82%	0.817	70%	0.703	S	S	*	*			trans	-59.8	95.8	161.5	-115.6	178	-177.5	173.4	0	104.2	S26 T30	S26-K28 PolarHBondContact O-N 3.31Å; K28-T30 VanDerWaalsContact C-N 3.28Å; K28-T30 PolarHBondContact O-N 3.08Å
29	Q	39.5	Very low	55.6	Low	175 Å²	175	125.7 Å²	125.7	82%	0.818	69%	0.693	S	S	*	*			trans	-54.5	99.2	174.3	-169.7	171.9	8.1	0	0	105.9	K27 M31	K27-Q29 PolarHBondContact O-N 3.47Å; Q29-M31 VanDerWaalsContact C-N 3.3Å; Q29-M31 PolarHBondContact O-N 3.21Å
30	T	44.3	Very low	57.9	Low	122 Å²	122	120.8 Å²	120.8	75%	0.748	68%	0.679	S	S	*	*			trans	-64.1	101.9	172.4	37.8	0	0	0	0	104.3	K28 V32	K28-T30 VanDerWaalsContact C-N 3.28Å; K28-T30 PolarHBondContact O-N 3.08Å; T30-V32 VanDerWaalsContact C-N 3.29Å; T30-V32 PolarHBondContact O-N 3.14Å
31	M	45.2	Very low	60.1	Low	169 Å²	169	122.8 Å²	122.8	83%	0.833	68%	0.675	S	S	*	*			trans	-61.7	99.2	178.4	-69	-152.3	-74.2	0	0	107.1	Q29 R33	Q29-M31 VanDerWaalsContact C-N 3.3Å; Q29-M31 PolarHBondContact O-N 3.21Å; M31-R33 PolarHBondContact O-N 3.45Å
32	V	57.8	Low	62.1	Low	133 Å²	133	116.8 Å²	116.8	81%	0.806	65%	0.645	S	S	*	*			trans	-57	112.7	170.1	179.5	0	0	0	0	105.2	T30 E34	T30-V32 VanDerWaalsContact C-N 3.29Å; T30-V32 PolarHBondContact O-N 3.14Å; V32-E34 PolarHBondContact O-N 3.02Å
33	R	61.5	Low	64.2	Low	179 Å²	179	114.2 Å²	114.2	68%	0.675	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-62.7	120.5	176.9	-77.8	176.7	162.8	163	-6.8	107	M31 A35	M31-R33 PolarHBondContact O-N 3.45Å; R33-A35 PolarHBondContact O-N 3.09Å
34	E	64.8	Low	66.4	Low	102 Å²	102	109.1 Å²	109.1	48%	0.477	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-52.6	126.1	171.1	-75.6	-175.7	125.7	0	0	108.8	V32 G36 K37 R116	V32-E34 PolarHBondContact O-N 3.02Å; E34-G36 PolarHBondContact O-N 3.46Å; E34-K37 HydrophobicContact CB-CB 4.35Å; E34-K37 WeakPolarHBondContact O-CB 3.23Å; E34-K37 PolarHBondContact O-N 3.39Å; E34-K37 VanDerWaalsContact O-N 3.12Å; E34-R116 VanDerWaalsContact CD-NH1 3.26Å; E34-R116 IonicContact OE1-NH1 3.25Å; E34-R116 PolarHBondContact OE1-NH1 3.5Å; E34-R116 IonicContact OE2-NH1 3.06Å; E34-R116 PolarHBondContact OE2-NH1 3.46Å
35	A	71.9	Confident	68.5	Low	106 Å²	106	109.1 Å²	109.1	88%	0.876	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	132.3	176.5	0	0	0	0	0	109.7	R33	R33-A35 PolarHBondContact O-N 3.09Å
36	G	76.1	Confident	70.9	Confident	65 Å²	65	104.4 Å²	104.4	67%	0.67	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.5	-9.1	-178.2	0	0	0	0	0	115.8	E34 P38 Y107	E34-G36 PolarHBondContact O-N 3.46Å; G36-P38 WeakPolarHBondContact O-CD 3.35Å; G36-Y107 WeakPolarHBondContact O-CD2 3.27Å; G36-Y107 WeakPolarHBondContact O-CE2 3.36Å
37	K	83.2	Confident	73.4	Confident	86 Å²	86	100.8 Å²	100.8	37%	0.374	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-74	125.6	175.1	-172.2	172.2	-176.2	173	0	111	E34 R39 Y107 L113	E34-K37 HydrophobicContact CB-CB 4.35Å; E34-K37 WeakPolarHBondContact O-CB 3.23Å; E34-K37 PolarHBondContact O-N 3.39Å; E34-K37 VanDerWaalsContact O-N 3.12Å; K37-R39 PolarHBondContact O-N 3Å; K37-Y107 HydrophobicContact CB-CE2 4.49Å; K37-L113 HydrophobicContact CG-CD1 4.09Å
38	P	86.2	Confident	75.8	Confident	13 Å²	13	91.2 Å²	91.2	8%	0.084	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-54.1	134.7	178.5	-28.7	35.2	0	0	0	112.2	G36 Y100 E103 V104 Y107	G36-P38 WeakPolarHBondContact O-CD 3.35Å; P38-Y100 HydrophobicContact CB-CD2 4.39Å; P38-Y100 HydrophobicContact CB-CE2 4.31Å; P38-E103 WeakPolarHBondContact CA-OE2 3.35Å; P38-E103 HydrophobicContact CB-CB 3.72Å; P38-E103 HydrophobicContact CG-CB 3.98Å; P38-E103 WeakPolarHBondContact CG-O 3.47Å; P38-V104 HydrophobicContact CB-CG2 3.88Å; P38-V104 HydrophobicContact CG-CG2 4.01Å; P38-Y107 VanDerWaalsContact CD-CG 3.44Å; P38-Y107 HydrophobicContact CG-CD1 4.32Å; P38-Y107 HydrophobicContact CG-CD2 4.42Å; P38-Y107 HydrophobicContact CG-CG 3.88Å
39	R	85.3	Confident	78.2	Confident	141 Å²	141	83.7 Å²	83.7	53%	0.532	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-78.7	127.6	174.9	-65.7	-161.6	-63.2	-160.8	3.6	109.2	K37 R99 Y100 E103	K37-R39 PolarHBondContact O-N 3Å; R39-R99 PolarHBondContact O-NH1 3.02Å; R39-R99 PolarHBondContact O-NH2 3.03Å; R39-R99 VanDerWaalsContact O-NH2 3.15Å; R39-Y100 VanDerWaalsContact O-CD2 3.23Å; R39-Y100 WeakPolarHBondContact O-CD2 3.4Å; R39-E103 PolarHBondContact N-OE2 3.39Å; R39-E103 VanDerWaalsContact N-OE2 3.1Å
40	G	88	Confident	80.7	Confident	49 Å²	49	80.1 Å²	80.1	51%	0.505	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-51.4	149.4	178.7	0	0	0	0	0	113.1
41	K	91.2	Very high	82.8	Confident	138 Å²	138	77.9 Å²	77.9	60%	0.6	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-61.7	136.3	178.6	61.1	-173.7	179.1	-178.7	0	112.4	D96 Y100	K41-D96 VanDerWaalsContact CA-OD2 3.26Å; K41-D96 WeakPolarHBondContact CA-OD2 3.49Å; K41-Y100 HydrophobicContact CB-CD1 4.44Å; K41-Y100 HydrophobicContact CB-CG 4.25Å
42	T	92.5	Very high	84.9	Confident	32 Å²	32	70.4 Å²	70.4	20%	0.196	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-92.8	131.7	176.9	-53	0	0	0	0	109.3	F47 D96	T42-F47 HydrophobicContact CG2-CD1 4.47Å; T42-F47 HydrophobicContact CG2-CD2 3.84Å; T42-F47 HydrophobicContact CG2-CE2 3.89Å; T42-F47 HydrophobicContact CG2-CG 4.13Å; T42-F47 HydrophobicContact CG2-CZ 4.23Å; T42-D96 PolarHBondContact N-OD2 2.81Å
43	S	94.4	Very high	86.2	Confident	64 Å²	64	67.4 Å²	67.4	45%	0.448	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-72.8	163.6	176.5	68.6	0	0	0	0	111.7	Y45 G46 F47	S43-Y45 VanDerWaalsContact C-N 3.26Å; S43-Y45 PolarHBondContact O-N 3.22Å; S43-G46 WeakPolarHBondContact O-CA 3.23Å; S43-G46 PolarHBondContact O-N 3.39Å; S43-G46 PolarHBondContact OG-N 2.78Å; S43-G46 VanDerWaalsContact OG-N 3.07Å; S43-F47 WeakPolarHBondContact O-CD2 3.42Å; S43-F47 PolarHBondContact O-N 3.11Å
44	P	94.6	Very high	87.5	Confident	25 Å²	25	64.6 Å²	64.6	16%	0.162	36%	0.356	C	S	.	.	H	α-helix	trans	-52.5	-45.6	173.9	-25.5	32.7	0	0	0	112.2	G46 F47 F48 W78 F89 Y90 A93	P44-G46 VanDerWaalsContact C-N 3.31Å; P44-G46 PolarHBondContact O-N 3.02Å; P44-F47 PolarHBondContact O-N 3.3Å; P44-F48 PolarHBondContact O-N 3Å; P44-W78 HydrophobicContact CB-CH2 4.04Å; P44-F89 WeakPolarHBondContact CA-O 3.39Å; P44-F89 HydrophobicContact CB-CB 4.01Å; P44-Y90 HydrophobicContact CB-CD1 4.15Å; P44-Y90 HydrophobicContact CB-CE1 4.31Å; P44-Y90 HydrophobicContact CB-CG 4.28Å; P44-Y90 HydrophobicContact CG-CD1 3.51Å; P44-Y90 HydrophobicContact CG-CE1 3.74Å; P44-Y90 HydrophobicContact CG-CG 4.05Å; P44-A93 HydrophobicContact CB-CB 4.33Å; P44-A93 HydrophobicContact CG-CB 3.61Å
45	Y	93.1	Very high	88.5	Confident	74 Å²	74	63.2 Å²	63.2	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-36.2	174.3	-176.5	-113	0	0	0	112.4	S43 F47 F48 V49 W78	S43-Y45 VanDerWaalsContact C-N 3.26Å; S43-Y45 PolarHBondContact O-N 3.22Å; Y45-F47 VanDerWaalsContact C-N 3.33Å; Y45-F47 PolarHBondContact O-N 2.87Å; Y45-F48 AromaticContact CD2-CD1 3.86Å; Y45-F48 HydrophobicContact CD2-CD1 3.86Å; Y45-F48 AromaticContact CE2-CD1 3.81Å; Y45-F48 HydrophobicContact CE2-CD1 3.81Å; Y45-F48 HydrophobicContact CE2-CE1 4.13Å; Y45-F48 WeakPolarHBondContact O-CB 3.49Å; Y45-F48 PolarHBondContact O-N 3.44Å; Y45-V49 HydrophobicContact CD1-CG2 3.91Å; Y45-V49 HydrophobicContact CD2-CG2 4.22Å; Y45-V49 HydrophobicContact CE1-CG2 3.47Å; Y45-V49 VanDerWaalsContact CE1-CG2 3.47Å; Y45-V49 HydrophobicContact CE2-CG2 3.81Å; Y45-V49 HydrophobicContact CG-CG2 4.27Å; Y45-V49 VanDerWaalsContact CZ-CG2 3.41Å; Y45-V49 VanDerWaalsContact O-CG2 3.32Å; Y45-V49 WeakPolarHBondContact O-CG2 3.27Å; Y45-V49 PolarHBondContact O-N 2.96Å; Y45-W78 HydrophobicContact CD2-CB 3.95Å; Y45-W78 AromaticContact CD2-CD1 3.89Å; Y45-W78 AromaticContact CD2-CD2 3.58Å; Y45-W78 HydrophobicContact CD2-CD2 3.58Å; Y45-W78 AromaticContact CD2-CE3 3.99Å; Y45-W78 HydrophobicContact CD2-CE3 3.99Å; Y45-W78 AromaticContact CD2-CG 3.53Å; Y45-W78 HydrophobicContact CD2-CG 3.53Å; Y45-W78 HydrophobicContact CE2-CB 3.68Å; Y45-W78 HydrophobicContact CE2-CD2 4.26Å; Y45-W78 AromaticContact CE2-CG 3.77Å; Y45-W78 HydrophobicContact CE2-CG 3.77Å
46	G	93.7	Very high	89	Confident	19 Å²	19	59.2 Å²	59.2	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-36.1	175.7	0	0	0	0	0	113.5	S43 P44 K50	S43-G46 WeakPolarHBondContact O-CA 3.23Å; S43-G46 PolarHBondContact O-N 3.39Å; S43-G46 PolarHBondContact OG-N 2.78Å; S43-G46 VanDerWaalsContact OG-N 3.07Å; P44-G46 VanDerWaalsContact C-N 3.31Å; P44-G46 PolarHBondContact O-N 3.02Å; G46-K50 WeakPolarHBondContact O-CG 3.46Å; G46-K50 PolarHBondContact O-N 2.97Å
47	F	94.3	Very high	89.3	Confident	32 Å²	32	64.1 Å²	64.1	14%	0.14	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-43.3	171.1	-79.4	-70.6	0	0	0	111.9	T42 S43 P44 Y45 V49 K50 M51 F89 L92 A93 D96	T42-F47 HydrophobicContact CG2-CD1 4.47Å; T42-F47 HydrophobicContact CG2-CD2 3.84Å; T42-F47 HydrophobicContact CG2-CE2 3.89Å; T42-F47 HydrophobicContact CG2-CG 4.13Å; T42-F47 HydrophobicContact CG2-CZ 4.23Å; S43-F47 WeakPolarHBondContact O-CD2 3.42Å; S43-F47 PolarHBondContact O-N 3.11Å; P44-F47 PolarHBondContact O-N 3.3Å; Y45-F47 VanDerWaalsContact C-N 3.33Å; Y45-F47 PolarHBondContact O-N 2.87Å; F47-V49 PolarHBondContact O-N 2.91Å; F47-K50 WeakPolarHBondContact O-CB 3.43Å; F47-K50 PolarHBondContact O-N 3.13Å; F47-M51 PolarHBondContact O-N 2.77Å; F47-F89 HydrophobicContact CB-CD1 3.92Å; F47-L92 HydrophobicContact CB-CD2 4.44Å; F47-L92 HydrophobicContact CD1-CB 4.45Å; F47-L92 HydrophobicContact CD1-CD2 3.89Å; F47-L92 HydrophobicContact CD2-CB 4.02Å; F47-L92 HydrophobicContact CE1-CD2 4.36Å; F47-L92 HydrophobicContact CE2-CB 4.27Å; F47-L92 HydrophobicContact CG-CB 4.12Å; F47-L92 HydrophobicContact CG-CD2 4.16Å; F47-A93 HydrophobicContact CD2-CB 4.36Å; F47-A93 HydrophobicContact CE2-CB 4.42Å; F47-D96 HydrophobicContact CE2-CB 3.68Å; F47-D96 HydrophobicContact CZ-CB 3.6Å
48	F	93.8	Very high	89.5	Confident	3 Å²	3	68.7 Å²	68.7	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-44.2	177	168.2	-97.8	0	0	0	112.8	P44 Y45 K50 M51 C52 C74 K77 W78 M81 F89	P44-F48 PolarHBondContact O-N 3Å; Y45-F48 AromaticContact CD2-CD1 3.86Å; Y45-F48 HydrophobicContact CD2-CD1 3.86Å; Y45-F48 AromaticContact CE2-CD1 3.81Å; Y45-F48 HydrophobicContact CE2-CD1 3.81Å; Y45-F48 HydrophobicContact CE2-CE1 4.13Å; Y45-F48 WeakPolarHBondContact O-CB 3.49Å; Y45-F48 PolarHBondContact O-N 3.44Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 2.87Å; F48-M51 WeakPolarHBondContact O-CB 3.48Å; F48-M51 PolarHBondContact O-N 2.65Å; F48-C52 VanDerWaalsContact CE2-SG 3.51Å; F48-C52 WeakPolarHBondContact CZ-SG 3.4Å; F48-C52 PolarHBondContact O-N 3.08Å; F48-C74 HydrophobicContact CE1-CB 4.04Å; F48-C74 WeakPolarHBondContact CE1-O 3.49Å; F48-K77 HydrophobicContact CE2-CD 4.17Å; F48-K77 HydrophobicContact CE2-CG 4.11Å; F48-K77 HydrophobicContact CZ-CB 3.89Å; F48-K77 HydrophobicContact CZ-CD 4.02Å; F48-K77 HydrophobicContact CZ-CG 3.79Å; F48-W78 HydrophobicContact CB-CE3 3.65Å; F48-W78 HydrophobicContact CB-CZ3 3.56Å; F48-W78 HydrophobicContact CD1-CB 4.12Å; F48-W78 HydrophobicContact CD1-CD2 4.31Å; F48-W78 AromaticContact CD1-CE3 3.61Å; F48-W78 HydrophobicContact CD1-CE3 3.61Å; F48-W78 HydrophobicContact CD1-CZ3 4.41Å; F48-W78 AromaticContact CD2-CE3 3.9Å; F48-W78 HydrophobicContact CD2-CE3 3.9Å; F48-W78 HydrophobicContact CD2-CZ3 4.29Å; F48-W78 HydrophobicContact CE1-CB 3.75Å; F48-W78 HydrophobicContact CE1-CE3 4.22Å; F48-W78 HydrophobicContact CE2-CE3 4.46Å; F48-W78 HydrophobicContact CG-CD2 4.5Å; F48-W78 AromaticContact CG-CE3 3.41Å; F48-W78 HydrophobicContact CG-CE3 3.41Å; F48-W78 VanDerWaalsContact CG-CE3 3.41Å; F48-W78 AromaticContact CG-CZ3 3.83Å; F48-W78 HydrophobicContact CG-CZ3 3.83Å; F48-W78 HydrophobicContact CZ-CB 4.23Å; F48-M81 HydrophobicContact CD2-CE 3.33Å; F48-M81 HydrophobicContact CD2-SD 4.12Å; F48-M81 HydrophobicContact CE2-CE 3.22Å; F48-M81 HydrophobicContact CE2-SD 3.68Å; F48-M81 HydrophobicContact CG-CE 4.07Å; F48-M81 HydrophobicContact CZ-CE 3.91Å; F48-F89 HydrophobicContact CB-CD1 3.97Å; F48-F89 HydrophobicContact CB-CD2 4.2Å; F48-F89 HydrophobicContact CB-CE1 3.87Å; F48-F89 HydrophobicContact CB-CE2 4.1Å; F48-F89 HydrophobicContact CB-CG 4.13Å; F48-F89 HydrophobicContact CB-CZ 3.94Å; F48-F89 HydrophobicContact CD2-CD2 4.42Å; F48-F89 HydrophobicContact CD2-CE1 4.37Å; F48-F89 AromaticContact CD2-CE2 3.65Å; F48-F89 HydrophobicContact CD2-CE2 3.65Å; F48-F89 AromaticContact CD2-CZ 3.62Å; F48-F89 HydrophobicContact CD2-CZ 3.62Å; F48-F89 HydrophobicContact CG-CE2 4.33Å; F48-F89 HydrophobicContact CG-CZ 4.28Å
49	V	91.1	Very high	89.3	Confident	30 Å²	30	75.2 Å²	75.2	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-41.9	177.2	169.9	0	0	0	0	110.9	Y45 F47 M51 C52 Y53 C74	Y45-V49 HydrophobicContact CD1-CG2 3.91Å; Y45-V49 HydrophobicContact CD2-CG2 4.22Å; Y45-V49 HydrophobicContact CE1-CG2 3.47Å; Y45-V49 VanDerWaalsContact CE1-CG2 3.47Å; Y45-V49 HydrophobicContact CE2-CG2 3.81Å; Y45-V49 HydrophobicContact CG-CG2 4.27Å; Y45-V49 VanDerWaalsContact CZ-CG2 3.41Å; Y45-V49 VanDerWaalsContact O-CG2 3.32Å; Y45-V49 WeakPolarHBondContact O-CG2 3.27Å; Y45-V49 PolarHBondContact O-N 2.96Å; F47-V49 PolarHBondContact O-N 2.91Å; V49-M51 PolarHBondContact O-N 2.88Å; V49-C52 PolarHBondContact O-N 3.03Å; V49-Y53 HydrophobicContact CG1-CD2 3.66Å; V49-Y53 HydrophobicContact CG1-CE2 3.41Å; V49-Y53 VanDerWaalsContact CG1-CE2 3.41Å; V49-Y53 WeakPolarHBondContact O-CD2 3.44Å; V49-Y53 PolarHBondContact O-N 2.94Å; V49-C74 HydrophobicContact CG2-CB 4.44Å
50	K	91.1	Very high	89	Confident	100 Å²	100	73.5 Å²	73.5	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-58.2	-48.6	174.2	-72.3	173.3	-174.8	172.1	0	111.5	G46 F47 F48 C52 Y53 E54	G46-K50 WeakPolarHBondContact O-CG 3.46Å; G46-K50 PolarHBondContact O-N 2.97Å; F47-K50 WeakPolarHBondContact O-CB 3.43Å; F47-K50 PolarHBondContact O-N 3.13Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 2.87Å; K50-C52 VanDerWaalsContact C-N 3.3Å; K50-C52 PolarHBondContact O-N 3.07Å; K50-Y53 PolarHBondContact O-N 3.01Å; K50-E54 WeakPolarHBondContact O-CG 3.32Å; K50-E54 PolarHBondContact O-N 2.73Å
51	M	89.9	Confident	88.4	Confident	76 Å²	76	76.6 Å²	76.6	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-58.3	-42	177.1	-72.3	-59.5	-56.1	0	0	112	F47 F48 V49 E54 E55 F89	F47-M51 PolarHBondContact O-N 2.77Å; F48-M51 WeakPolarHBondContact O-CB 3.48Å; F48-M51 PolarHBondContact O-N 2.65Å; V49-M51 PolarHBondContact O-N 2.88Å; M51-E54 PolarHBondContact O-N 3.27Å; M51-E55 WeakPolarHBondContact O-CB 3.41Å; M51-E55 WeakPolarHBondContact O-CG 3.35Å; M51-E55 PolarHBondContact O-N 3.37Å; M51-F89 HydrophobicContact CB-CE1 4.46Å; M51-F89 HydrophobicContact CG-CE1 3.94Å
52	C	88.3	Confident	87.3	Confident	12 Å²	12	75.8 Å²	75.8	8%	0.081	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-38.2	177.8	-75.5	0	0	0	0	113.2	F48 V49 K50 H56 C74	F48-C52 VanDerWaalsContact CE2-SG 3.51Å; F48-C52 WeakPolarHBondContact CZ-SG 3.4Å; F48-C52 PolarHBondContact O-N 3.08Å; V49-C52 PolarHBondContact O-N 3.03Å; K50-C52 VanDerWaalsContact C-N 3.3Å; K50-C52 PolarHBondContact O-N 3.07Å; C52-H56 WeakPolarHBondContact O-CB 3.45Å; C52-H56 PolarHBondContact O-N 3.44Å; C52-C74 HydrophobicContact CB-CB 4.41Å; C52-C74 WeakPolarHBondContact CB-SG 3.48Å
53	Y	85.6	Confident	86.2	Confident	70 Å²	70	80 Å²	80	28%	0.275	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-39.9	173.2	-81.8	-72.1	0	0	0	111.9	V49 K50 H56 K57 V67 I70	V49-Y53 HydrophobicContact CG1-CD2 3.66Å; V49-Y53 HydrophobicContact CG1-CE2 3.41Å; V49-Y53 VanDerWaalsContact CG1-CE2 3.41Å; V49-Y53 WeakPolarHBondContact O-CD2 3.44Å; V49-Y53 PolarHBondContact O-N 2.94Å; K50-Y53 PolarHBondContact O-N 3.01Å; Y53-H56 PolarHBondContact O-N 3.25Å; Y53-K57 WeakPolarHBondContact O-CB 3.43Å; Y53-K57 PolarHBondContact O-N 2.85Å; Y53-V67 HydrophobicContact CE1-CG1 3.96Å; Y53-V67 WeakPolarHBondContact OH-CG1 3.21Å; Y53-V67 PolarHBondContact OH-O 3.29Å; Y53-I70 HydrophobicContact CD1-CB 4.17Å; Y53-I70 HydrophobicContact CD1-CD1 3.81Å; Y53-I70 HydrophobicContact CD1-CG2 3.59Å; Y53-I70 HydrophobicContact CE1-CB 3.65Å; Y53-I70 HydrophobicContact CE1-CD1 3.79Å; Y53-I70 HydrophobicContact CE1-CG1 4.3Å; Y53-I70 HydrophobicContact CE1-CG2 3.49Å; Y53-I70 VanDerWaalsContact CE1-CG2 3.49Å; Y53-I70 HydrophobicContact CE2-CG2 4.49Å; Y53-I70 HydrophobicContact CG-CG2 4.13Å
54	E	88	Confident	84.9	Confident	119 Å²	119	84.7 Å²	84.7	56%	0.556	42%	0.417	S	S	*	.	H	α-helix	trans	-65.7	-45.1	176.7	-72.5	173.8	-166	0	0	112.1	K50 M51 H56 K57 K58	K50-E54 WeakPolarHBondContact O-CG 3.32Å; K50-E54 PolarHBondContact O-N 2.73Å; M51-E54 PolarHBondContact O-N 3.27Å; E54-H56 VanDerWaalsContact C-N 3.29Å; E54-H56 PolarHBondContact O-N 3.22Å; E54-K57 PolarHBondContact O-N 3.02Å; E54-K58 WeakPolarHBondContact O-CB 3.3Å; E54-K58 PolarHBondContact O-N 3.15Å
55	E	85.9	Confident	83.6	Confident	73 Å²	73	84.5 Å²	84.5	34%	0.341	42%	0.415	S	S	.	.	H	α-helix	trans	-57.4	-44.1	172.9	-78.7	179.7	-175.5	0	0	111.1	M51 K58 K59 K77	M51-E55 WeakPolarHBondContact O-CB 3.41Å; M51-E55 WeakPolarHBondContact O-CG 3.35Å; M51-E55 PolarHBondContact O-N 3.37Å; E55-K58 PolarHBondContact O-N 3.43Å; E55-K59 WeakPolarHBondContact O-CB 2.94Å; E55-K59 WeakPolarHBondContact O-CG 3.49Å; E55-K59 PolarHBondContact O-N 3.39Å; E55-K77 IonicContact OE2-NZ 3.05Å; E55-K77 PolarHBondContact OE2-NZ 3.38Å
56	H	83.1	Confident	82.8	Confident	22 Å²	22	86.9 Å²	86.9	10%	0.102	43%	0.429	C	S	.	.	H	α-helix	trans	-66	-43.4	179.6	-159.2	-62.3	0	0	0	111.8	C52 Y53 E54 K58 K59 Y60 V65 I70	C52-H56 WeakPolarHBondContact O-CB 3.45Å; C52-H56 PolarHBondContact O-N 3.44Å; Y53-H56 PolarHBondContact O-N 3.25Å; E54-H56 VanDerWaalsContact C-N 3.29Å; E54-H56 PolarHBondContact O-N 3.22Å; H56-K58 VanDerWaalsContact C-N 3.29Å; H56-K58 PolarHBondContact O-N 3.09Å; H56-K59 PolarHBondContact O-N 3.11Å; H56-Y60 AromaticContact CE1-CD2 3.2Å; H56-Y60 WeakPolarHBondContact CE1-CD2 3.44Å; H56-Y60 AromaticContact CE1-CE2 3.82Å; H56-Y60 AromaticContact CE1-CG 3.77Å; H56-Y60 AromaticContact ND1-CD2 3.56Å; H56-Y60 AromaticContact NE2-CD2 3.66Å; H56-Y60 AromaticContact NE2-CE2 3.81Å; H56-Y60 PolarHBondContact O-N 3.28Å; H56-V65 VanDerWaalsContact CE1-CB 3.44Å; H56-V65 WeakPolarHBondContact CE1-CB 3.32Å; H56-V65 WeakPolarHBondContact CE1-CG2 3.14Å; H56-I70 HydrophobicContact CB-CD1 4.15Å; H56-I70 HydrophobicContact CB-CG2 4.44Å
57	K	82.8	Confident	82.1	Confident	168 Å²	168	90.6 Å²	90.6	73%	0.73	45%	0.448	S	S	*	.	H	α-helix	trans	-63.9	-34.7	177.3	-172.9	177.9	179.3	-176.2	0	112	Y53 E54 P61	Y53-K57 WeakPolarHBondContact O-CB 3.43Å; Y53-K57 PolarHBondContact O-N 2.85Å; E54-K57 PolarHBondContact O-N 3.02Å; K57-P61 WeakPolarHBondContact O-CA 3.26Å
58	K	87.3	Confident	81.7	Confident	183 Å²	183	93.1 Å²	93.1	80%	0.796	47%	0.466	S	S	*	.	H	α-helix	trans	-73	-39.5	177.2	-171.7	175.3	-178.3	178.4	0	112.5	E54 E55 H56	E54-K58 WeakPolarHBondContact O-CB 3.3Å; E54-K58 PolarHBondContact O-N 3.15Å; E55-K58 PolarHBondContact O-N 3.43Å; H56-K58 VanDerWaalsContact C-N 3.29Å; H56-K58 PolarHBondContact O-N 3.09Å
59	K	82	Confident	81.3	Confident	150 Å²	150	97.3 Å²	97.3	65%	0.652	49%	0.485	S	S	*	.	H	α-helix	trans	-76.8	-33.3	-179	-73	-178.7	-179.5	-174.8	0	113.1	E55 H56 P61	E55-K59 WeakPolarHBondContact O-CB 2.94Å; E55-K59 WeakPolarHBondContact O-CG 3.49Å; E55-K59 PolarHBondContact O-N 3.39Å; H56-K59 PolarHBondContact O-N 3.11Å; K59-P61 WeakPolarHBondContact O-CD 3.39Å
60	Y	77.6	Confident	80.9	Confident	105 Å²	105	96.6 Å²	96.6	41%	0.412	48%	0.48	S	S	.	.			trans	-125	66.3	-178.1	-53.6	-85.7	0	0	0	109.6	H56 S62 E63	H56-Y60 AromaticContact CE1-CD2 3.2Å; H56-Y60 WeakPolarHBondContact CE1-CD2 3.44Å; H56-Y60 AromaticContact CE1-CE2 3.82Å; H56-Y60 AromaticContact CE1-CG 3.77Å; H56-Y60 AromaticContact ND1-CD2 3.56Å; H56-Y60 AromaticContact NE2-CD2 3.66Å; H56-Y60 AromaticContact NE2-CE2 3.81Å; H56-Y60 PolarHBondContact O-N 3.28Å; Y60-S62 PolarHBondContact O-N 3.1Å; Y60-E63 WeakPolarHBondContact CD1-OE2 3.46Å; Y60-E63 PolarHBondContact O-N 3.45Å
61	P	75.8	Confident	80.7	Confident	113 Å²	113	94.5 Å²	94.5	73%	0.734	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.6	-177.2	26.8	-34.3	0	0	0	112.7	K57 K59	K57-P61 WeakPolarHBondContact O-CA 3.26Å; K59-P61 WeakPolarHBondContact O-CD 3.39Å
62	S	69.2	Low	80.7	Confident	122 Å²	122	97.8 Å²	97.8	85%	0.853	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-6.3	-178.2	-167.5	0	0	0	0	114.4	Y60	Y60-S62 PolarHBondContact O-N 3.1Å
63	E	68.4	Low	80.6	Confident	121 Å²	121	102.5 Å²	102.5	57%	0.565	51%	0.51	S	S	*	.			trans	-100.5	115.8	-178.5	-152.3	178.9	175.3	0	0	109.2	Y60 V65	Y60-E63 WeakPolarHBondContact CD1-OE2 3.46Å; Y60-E63 PolarHBondContact O-N 3.45Å; E63-V65 HydrophobicContact CB-CG2 3.73Å; E63-V65 HydrophobicContact CG-CG2 3.78Å; E63-V65 WeakPolarHBondContact O-CG2 3.29Å; E63-V65 PolarHBondContact O-N 3.47Å
64	N	68.1	Low	80.8	Confident	162 Å²	162	99.3 Å²	99.3	87%	0.866	50%	0.497	S	S	*	.			trans	-76.9	78.8	173.9	-171.3	-24.3	0	0	0	108.8
65	V	67.5	Low	80.9	Confident	20 Å²	20	95.8 Å²	95.8	12%	0.121	49%	0.486	C	S	.	.			trans	-78.2	131.2	-175.7	-167.1	0	0	0	0	109.1	H56 E63 V67 E69 I70	H56-V65 VanDerWaalsContact CE1-CB 3.44Å; H56-V65 WeakPolarHBondContact CE1-CB 3.32Å; H56-V65 WeakPolarHBondContact CE1-CG2 3.14Å; E63-V65 HydrophobicContact CB-CG2 3.73Å; E63-V65 HydrophobicContact CG-CG2 3.78Å; E63-V65 WeakPolarHBondContact O-CG2 3.29Å; E63-V65 PolarHBondContact O-N 3.47Å; V65-V67 PolarHBondContact O-N 3Å; V65-E69 HydrophobicContact CG1-CB 4.45Å; V65-I70 HydrophobicContact CB-CD1 4.39Å; V65-I70 HydrophobicContact CG1-CG1 4.29Å
66	Q	74.8	Confident	81.3	Confident	125 Å²	125	98.2 Å²	98.2	58%	0.584	50%	0.497	S	S	*	.			trans	-60	128.1	-176.4	-62.3	-149.2	-35.1	0	0	110	T68 E69 I70	Q66-T68 WeakPolarHBondContact CB-OG1 3.21Å; Q66-T68 PolarHBondContact O-N 3.3Å; Q66-E69 HydrophobicContact CB-CG 4.41Å; Q66-E69 WeakPolarHBondContact O-CB 3.48Å; Q66-E69 PolarHBondContact O-N 3.31Å; Q66-I70 PolarHBondContact O-N 2.82Å
67	V	80.1	Confident	81.6	Confident	97 Å²	97	101 Å²	101	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-51.8	-29.8	179.4	-179.9	0	0	0	0	111.7	Y53 V65 S71	Y53-V67 HydrophobicContact CE1-CG1 3.96Å; Y53-V67 WeakPolarHBondContact OH-CG1 3.21Å; Y53-V67 PolarHBondContact OH-O 3.29Å; V65-V67 PolarHBondContact O-N 3Å; V67-S71 WeakPolarHBondContact O-CB 3.45Å; V67-S71 PolarHBondContact O-N 3.39Å
68	T	84.7	Confident	82	Confident	84 Å²	84	95.1 Å²	95.1	52%	0.515	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-38.9	175.1	48.9	0	0	0	0	113.2	Q66 K72	Q66-T68 WeakPolarHBondContact CB-OG1 3.21Å; Q66-T68 PolarHBondContact O-N 3.3Å; T68-K72 WeakPolarHBondContact O-CG 3.45Å; T68-K72 PolarHBondContact O-N 3.4Å
69	E	85.8	Confident	82.3	Confident	92 Å²	92	93.9 Å²	93.9	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-75.4	-41.7	179.2	-65.5	-178.4	175.9	0	0	111.7	V65 Q66 S71 K72 K73	V65-E69 HydrophobicContact CG1-CB 4.45Å; Q66-E69 HydrophobicContact CB-CG 4.41Å; Q66-E69 WeakPolarHBondContact O-CB 3.48Å; Q66-E69 PolarHBondContact O-N 3.31Å; E69-S71 VanDerWaalsContact C-N 3.28Å; E69-S71 PolarHBondContact O-N 2.97Å; E69-K72 PolarHBondContact O-N 3.3Å; E69-K73 PolarHBondContact O-N 3.07Å; E69-K73 VanDerWaalsContact O-N 3.07Å
70	I	83.8	Confident	82.8	Confident	14 Å²	14	92.3 Å²	92.3	7%	0.072	48%	0.48	C	S	.	.	H	α-helix	trans	-59.9	-45.1	175.6	-55.8	176.1	0	0	0	109.3	Y53 H56 V65 Q66 K72 K73 C74	Y53-I70 HydrophobicContact CD1-CB 4.17Å; Y53-I70 HydrophobicContact CD1-CD1 3.81Å; Y53-I70 HydrophobicContact CD1-CG2 3.59Å; Y53-I70 HydrophobicContact CE1-CB 3.65Å; Y53-I70 HydrophobicContact CE1-CD1 3.79Å; Y53-I70 HydrophobicContact CE1-CG1 4.3Å; Y53-I70 HydrophobicContact CE1-CG2 3.49Å; Y53-I70 VanDerWaalsContact CE1-CG2 3.49Å; Y53-I70 HydrophobicContact CE2-CG2 4.49Å; Y53-I70 HydrophobicContact CG-CG2 4.13Å; H56-I70 HydrophobicContact CB-CD1 4.15Å; H56-I70 HydrophobicContact CB-CG2 4.44Å; V65-I70 HydrophobicContact CB-CD1 4.39Å; V65-I70 HydrophobicContact CG1-CG1 4.29Å; Q66-I70 PolarHBondContact O-N 2.82Å; I70-K72 VanDerWaalsContact C-N 3.31Å; I70-K72 PolarHBondContact O-N 3.25Å; I70-K73 PolarHBondContact O-N 3.11Å; I70-C74 PolarHBondContact O-N 3Å; I70-C74 PolarHBondContact O-SG 3.07Å
71	S	86.1	Confident	83.4	Confident	56 Å²	56	88 Å²	88	39%	0.392	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-37.3	177.7	-171.5	0	0	0	0	113.3	V67 E69 S75	V67-S71 WeakPolarHBondContact O-CB 3.45Å; V67-S71 PolarHBondContact O-N 3.39Å; E69-S71 VanDerWaalsContact C-N 3.28Å; E69-S71 PolarHBondContact O-N 2.97Å; S71-S75 PolarHBondContact O-N 3.14Å; S71-S75 VanDerWaalsContact O-N 3.12Å
72	K	90.2	Very high	84.2	Confident	145 Å²	145	86.1 Å²	86.1	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-65.4	-50.7	176.3	-74.3	174.2	179.9	-179.4	0	111	T68 E69 I70 C74 S75 E76	T68-K72 WeakPolarHBondContact O-CG 3.45Å; T68-K72 PolarHBondContact O-N 3.4Å; E69-K72 PolarHBondContact O-N 3.3Å; I70-K72 VanDerWaalsContact C-N 3.31Å; I70-K72 PolarHBondContact O-N 3.25Å; K72-C74 VanDerWaalsContact C-N 3.29Å; K72-C74 PolarHBondContact O-N 2.91Å; K72-S75 WeakPolarHBondContact O-CB 3.34Å; K72-S75 PolarHBondContact O-N 3Å; K72-S75 VanDerWaalsContact O-N 3.08Å; K72-E76 PolarHBondContact O-N 3Å
73	K	86.5	Confident	85.2	Confident	112 Å²	112	87.5 Å²	87.5	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-59.2	-38.5	177.2	-67.6	-179.3	-177.8	173.5	0	112.2	E69 I70 K77	E69-K73 PolarHBondContact O-N 3.07Å; E69-K73 VanDerWaalsContact O-N 3.07Å; I70-K73 PolarHBondContact O-N 3.11Å; K73-K77 VanDerWaalsContact O-CB 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.25Å; K73-K77 PolarHBondContact O-N 2.92Å
74	C	90.1	Very high	86.3	Confident	2 Å²	2	89.8 Å²	89.8	1%	0.014	45%	0.454	C	S	.	.	H	α-helix	trans	-59.8	-49.8	173.4	-65.8	0	0	0	0	111.3	F48 V49 C52 I70 K72 E76 K77 W78	F48-C74 HydrophobicContact CE1-CB 4.04Å; F48-C74 WeakPolarHBondContact CE1-O 3.49Å; V49-C74 HydrophobicContact CG2-CB 4.44Å; C52-C74 HydrophobicContact CB-CB 4.41Å; C52-C74 WeakPolarHBondContact CB-SG 3.48Å; I70-C74 PolarHBondContact O-N 3Å; I70-C74 PolarHBondContact O-SG 3.07Å; K72-C74 VanDerWaalsContact C-N 3.29Å; K72-C74 PolarHBondContact O-N 2.91Å; C74-E76 VanDerWaalsContact C-N 3.33Å; C74-E76 PolarHBondContact O-N 3.11Å; C74-K77 PolarHBondContact O-N 3.26Å; C74-W78 PolarHBondContact O-N 3.06Å
75	S	90.3	Very high	87.3	Confident	45 Å²	45	86.5 Å²	86.5	32%	0.315	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-42.8	-177.4	-171.5	0	0	0	0	111.9	S71 K72 W78 K79	S71-S75 PolarHBondContact O-N 3.14Å; S71-S75 VanDerWaalsContact O-N 3.12Å; K72-S75 WeakPolarHBondContact O-CB 3.34Å; K72-S75 PolarHBondContact O-N 3Å; K72-S75 VanDerWaalsContact O-N 3.08Å; S75-W78 PolarHBondContact O-N 3.01Å; S75-K79 WeakPolarHBondContact O-CG 3.33Å; S75-K79 PolarHBondContact O-N 3.25Å
76	E	92.2	Very high	88.5	Confident	124 Å²	124	87.2 Å²	87.2	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-63.1	-49.9	175.9	-71.1	168.5	-172.5	0	0	111.6	K72 C74 W78 K79 T80	K72-E76 PolarHBondContact O-N 3Å; C74-E76 VanDerWaalsContact C-N 3.33Å; C74-E76 PolarHBondContact O-N 3.11Å; E76-W78 VanDerWaalsContact C-N 3.31Å; E76-W78 PolarHBondContact O-N 3.11Å; E76-K79 WeakPolarHBondContact O-CB 3.07Å; E76-K79 PolarHBondContact O-N 3.48Å; E76-T80 PolarHBondContact O-N 3.07Å; E76-T80 VanDerWaalsContact O-N 3.07Å; E76-T80 PolarHBondContact O-OG1 3.27Å
77	K	89.9	Confident	89.5	Confident	81 Å²	81	85.1 Å²	85.1	35%	0.352	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-36.9	178.4	-177.4	176.1	-177.6	176.8	0	112	F48 E55 K73 C74 K79 T80 M81	F48-K77 HydrophobicContact CE2-CD 4.17Å; F48-K77 HydrophobicContact CE2-CG 4.11Å; F48-K77 HydrophobicContact CZ-CB 3.89Å; F48-K77 HydrophobicContact CZ-CD 4.02Å; F48-K77 HydrophobicContact CZ-CG 3.79Å; E55-K77 IonicContact OE2-NZ 3.05Å; E55-K77 PolarHBondContact OE2-NZ 3.38Å; K73-K77 VanDerWaalsContact O-CB 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.25Å; K73-K77 PolarHBondContact O-N 2.92Å; C74-K77 PolarHBondContact O-N 3.26Å; K77-K79 VanDerWaalsContact C-N 3.31Å; K77-K79 PolarHBondContact O-N 3.19Å; K77-T80 PolarHBondContact O-N 3.42Å; K77-T80 PolarHBondContact O-OG1 3.23Å; K77-M81 HydrophobicContact CG-CG 4.39Å; K77-M81 WeakPolarHBondContact O-CB 3.43Å; K77-M81 VanDerWaalsContact O-CG 3.23Å; K77-M81 WeakPolarHBondContact O-CG 3.4Å; K77-M81 PolarHBondContact O-N 3.5Å
78	W	92.6	Very high	90.1	Very high	44 Å²	44	86.4 Å²	86.4	17%	0.167	42%	0.419	C	S	.	.	H	α-helix	trans	-65.5	-33.1	173.8	-175.5	-99.3	0	0	0	112.7	P44 Y45 F48 C74 S75 E76 M81 K86 F89	P44-W78 HydrophobicContact CB-CH2 4.04Å; Y45-W78 HydrophobicContact CD2-CB 3.95Å; Y45-W78 AromaticContact CD2-CD1 3.89Å; Y45-W78 AromaticContact CD2-CD2 3.58Å; Y45-W78 HydrophobicContact CD2-CD2 3.58Å; Y45-W78 AromaticContact CD2-CE3 3.99Å; Y45-W78 HydrophobicContact CD2-CE3 3.99Å; Y45-W78 AromaticContact CD2-CG 3.53Å; Y45-W78 HydrophobicContact CD2-CG 3.53Å; Y45-W78 HydrophobicContact CE2-CB 3.68Å; Y45-W78 HydrophobicContact CE2-CD2 4.26Å; Y45-W78 AromaticContact CE2-CG 3.77Å; Y45-W78 HydrophobicContact CE2-CG 3.77Å; F48-W78 HydrophobicContact CB-CE3 3.65Å; F48-W78 HydrophobicContact CB-CZ3 3.56Å; F48-W78 HydrophobicContact CD1-CB 4.12Å; F48-W78 HydrophobicContact CD1-CD2 4.31Å; F48-W78 AromaticContact CD1-CE3 3.61Å; F48-W78 HydrophobicContact CD1-CE3 3.61Å; F48-W78 HydrophobicContact CD1-CZ3 4.41Å; F48-W78 AromaticContact CD2-CE3 3.9Å; F48-W78 HydrophobicContact CD2-CE3 3.9Å; F48-W78 HydrophobicContact CD2-CZ3 4.29Å; F48-W78 HydrophobicContact CE1-CB 3.75Å; F48-W78 HydrophobicContact CE1-CE3 4.22Å; F48-W78 HydrophobicContact CE2-CE3 4.46Å; F48-W78 HydrophobicContact CG-CD2 4.5Å; F48-W78 AromaticContact CG-CE3 3.41Å; F48-W78 HydrophobicContact CG-CE3 3.41Å; F48-W78 VanDerWaalsContact CG-CE3 3.41Å; F48-W78 AromaticContact CG-CZ3 3.83Å; F48-W78 HydrophobicContact CG-CZ3 3.83Å; F48-W78 HydrophobicContact CZ-CB 4.23Å; C74-W78 PolarHBondContact O-N 3.06Å; S75-W78 PolarHBondContact O-N 3.01Å; E76-W78 VanDerWaalsContact C-N 3.31Å; E76-W78 PolarHBondContact O-N 3.11Å; W78-M81 HydrophobicContact CD2-CE 4.16Å; W78-M81 HydrophobicContact CE3-CE 3.27Å; W78-M81 HydrophobicContact CZ3-CE 3.73Å; W78-K86 HydrophobicContact CE3-CG 4.34Å; W78-K86 HydrophobicContact CH2-CB 4.13Å; W78-K86 HydrophobicContact CH2-CD 4.33Å; W78-K86 HydrophobicContact CH2-CG 3.83Å; W78-K86 HydrophobicContact CZ2-CD 4.06Å; W78-K86 HydrophobicContact CZ2-CG 4.08Å; W78-K86 HydrophobicContact CZ3-CG 3.97Å; W78-K86 WeakPolarHBondContact O-CE 3.47Å; W78-K86 PolarHBondContact O-NZ 3.38Å; W78-F89 HydrophobicContact CH2-CB 4.19Å; W78-F89 HydrophobicContact CH2-CD2 4.38Å; W78-F89 HydrophobicContact CZ3-CB 4.2Å; W78-F89 AromaticContact CZ3-CD2 3.69Å; W78-F89 HydrophobicContact CZ3-CD2 3.69Å; W78-F89 HydrophobicContact CZ3-CE2 4.35Å; W78-F89 HydrophobicContact CZ3-CG 4.1Å
79	K	92.9	Very high	90.6	Very high	158 Å²	158	82.6 Å²	82.6	69%	0.687	40%	0.396	S	S	*	.	H	α-helix	trans	-71.4	-40.6	177	-70	173.8	-175.7	-177.7	0	111.8	S75 E76 K77	S75-K79 WeakPolarHBondContact O-CG 3.33Å; S75-K79 PolarHBondContact O-N 3.25Å; E76-K79 WeakPolarHBondContact O-CB 3.07Å; E76-K79 PolarHBondContact O-N 3.48Å; K77-K79 VanDerWaalsContact C-N 3.31Å; K77-K79 PolarHBondContact O-N 3.19Å
80	T	92.4	Very high	91	Very high	116 Å²	116	83.2 Å²	83.2	71%	0.712	40%	0.395	S	S	*	.	H	α-helix	trans	-81	-19.3	-177.9	56.1	0	0	0	0	114.2	E76 K77	E76-T80 PolarHBondContact O-N 3.07Å; E76-T80 VanDerWaalsContact O-N 3.07Å; E76-T80 PolarHBondContact O-OG1 3.27Å; K77-T80 PolarHBondContact O-N 3.42Å; K77-T80 PolarHBondContact O-OG1 3.23Å
81	M	89.1	Confident	91.6	Very high	14 Å²	14	86.9 Å²	86.9	7%	0.069	41%	0.412	C	S	.	.	S	Bend	trans	-64.8	139.5	175.3	-83.9	-167.5	-43.8	0	0	112.7	F48 K77 W78 E85 K86 F89	F48-M81 HydrophobicContact CD2-CE 3.33Å; F48-M81 HydrophobicContact CD2-SD 4.12Å; F48-M81 HydrophobicContact CE2-CE 3.22Å; F48-M81 HydrophobicContact CE2-SD 3.68Å; F48-M81 HydrophobicContact CG-CE 4.07Å; F48-M81 HydrophobicContact CZ-CE 3.91Å; K77-M81 HydrophobicContact CG-CG 4.39Å; K77-M81 WeakPolarHBondContact O-CB 3.43Å; K77-M81 VanDerWaalsContact O-CG 3.23Å; K77-M81 WeakPolarHBondContact O-CG 3.4Å; K77-M81 PolarHBondContact O-N 3.5Å; W78-M81 HydrophobicContact CD2-CE 4.16Å; W78-M81 HydrophobicContact CE3-CE 3.27Å; W78-M81 HydrophobicContact CZ3-CE 3.73Å; M81-E85 HydrophobicContact CB-CB 4.49Å; M81-E85 HydrophobicContact SD-CB 4.38Å; M81-K86 HydrophobicContact CB-CG 4.26Å; M81-K86 HydrophobicContact CE-CG 4.21Å; M81-K86 VanDerWaalsContact O-CE 3.24Å; M81-K86 WeakPolarHBondContact O-CE 3.31Å; M81-K86 PolarHBondContact O-NZ 3.29Å; M81-F89 HydrophobicContact CE-CD2 4.39Å; M81-F89 HydrophobicContact CE-CE2 3.96Å; M81-F89 HydrophobicContact SD-CE2 4.28Å
82	T	92.7	Very high	91.9	Very high	74 Å²	74	87.9 Å²	87.9	45%	0.454	41%	0.412	S	S	.	.			trans	-70	160.7	176.6	64.3	0	0	0	0	111.7	Q84 E85 K86	T82-Q84 PolarHBondContact O-N 3.04Å; T82-E85 PolarHBondContact N-OE2 3.42Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-E85 WeakPolarHBondContact OG1-CG 3.49Å; T82-E85 PolarHBondContact OG1-N 3.49Å; T82-E85 PolarHBondContact OG1-OE2 2.94Å; T82-K86 WeakPolarHBondContact O-CG 3.41Å; T82-K86 PolarHBondContact O-N 3.18Å
83	Q	91	Very high	92.2	Very high	152 Å²	152	81.7 Å²	81.7	71%	0.71	39%	0.388	S	S	*	.	H	α-helix	trans	-63.2	-31.9	178.2	-171.4	166.8	5.1	0	0	112.2	K86 Q87	Q83-K86 CarbonylContact O-C 3.55Å; Q83-K86 PolarHBondContact O-N 3.29Å; Q83-Q87 PolarHBondContact O-N 3.23Å
84	Q	91	Very high	92.6	Very high	169 Å²	169	81.7 Å²	81.7	79%	0.79	39%	0.39	S	S	*	.	H	α-helix	trans	-65	-44.8	175.8	-68.6	-178	-5.4	0	0	111.8	T82 K86 Q87	T82-Q84 PolarHBondContact O-N 3.04Å; Q84-K86 PolarHBondContact O-N 3.35Å; Q84-Q87 WeakPolarHBondContact O-CB 3.31Å; Q84-Q87 PolarHBondContact O-N 3.21Å; Q84-Q87 VanDerWaalsContact O-N 3.09Å
85	E	89	Confident	92.9	Very high	92 Å²	92	88.5 Å²	88.5	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-68.4	-27.8	175.5	-66.1	169.3	126.9	0	0	112.5	M81 T82 Q87 R88	M81-E85 HydrophobicContact CB-CB 4.49Å; M81-E85 HydrophobicContact SD-CB 4.38Å; T82-E85 PolarHBondContact N-OE2 3.42Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-E85 WeakPolarHBondContact OG1-CG 3.49Å; T82-E85 PolarHBondContact OG1-N 3.49Å; T82-E85 PolarHBondContact OG1-OE2 2.94Å; E85-Q87 VanDerWaalsContact C-N 3.35Å; E85-R88 WeakPolarHBondContact O-CG 3.28Å; E85-R88 PolarHBondContact O-NE 3.15Å
86	K	93.6	Very high	93.1	Very high	35 Å²	35	87.3 Å²	87.3	15%	0.152	41%	0.409	C	S	.	.	H	α-helix	trans	-73.6	-28.5	171.8	-70.4	170.6	176.9	153	0	112.2	W78 M81 T82 Q83 Q84 R88 F89 Y90	W78-K86 HydrophobicContact CE3-CG 4.34Å; W78-K86 HydrophobicContact CH2-CB 4.13Å; W78-K86 HydrophobicContact CH2-CD 4.33Å; W78-K86 HydrophobicContact CH2-CG 3.83Å; W78-K86 HydrophobicContact CZ2-CD 4.06Å; W78-K86 HydrophobicContact CZ2-CG 4.08Å; W78-K86 HydrophobicContact CZ3-CG 3.97Å; W78-K86 WeakPolarHBondContact O-CE 3.47Å; W78-K86 PolarHBondContact O-NZ 3.38Å; M81-K86 HydrophobicContact CB-CG 4.26Å; M81-K86 HydrophobicContact CE-CG 4.21Å; M81-K86 VanDerWaalsContact O-CE 3.24Å; M81-K86 WeakPolarHBondContact O-CE 3.31Å; M81-K86 PolarHBondContact O-NZ 3.29Å; T82-K86 WeakPolarHBondContact O-CG 3.41Å; T82-K86 PolarHBondContact O-N 3.18Å; Q83-K86 CarbonylContact O-C 3.55Å; Q83-K86 PolarHBondContact O-N 3.29Å; Q84-K86 PolarHBondContact O-N 3.35Å; K86-R88 VanDerWaalsContact C-N 3.28Å; K86-R88 PolarHBondContact O-N 2.96Å; K86-F89 WeakPolarHBondContact O-CA 3.19Å; K86-F89 WeakPolarHBondContact O-CB 3.46Å; K86-F89 PolarHBondContact O-N 2.9Å; K86-Y90 HydrophobicContact CB-CD2 4.21Å; K86-Y90 HydrophobicContact CB-CE2 3.91Å; K86-Y90 VanDerWaalsContact O-CD2 3.23Å; K86-Y90 WeakPolarHBondContact O-CD2 3.47Å; K86-Y90 PolarHBondContact O-N 3.09Å; K86-Y90 VanDerWaalsContact O-N 3.11Å
87	Q	94.8	Very high	93.2	Very high	82 Å²	82	88.1 Å²	88.1	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-55.6	-42.8	-175.5	-170.7	58.8	26.3	0	0	111.8	Q83 Q84 E85 F89 Y90 E91	Q83-Q87 PolarHBondContact O-N 3.23Å; Q84-Q87 WeakPolarHBondContact O-CB 3.31Å; Q84-Q87 PolarHBondContact O-N 3.21Å; Q84-Q87 VanDerWaalsContact O-N 3.09Å; E85-Q87 VanDerWaalsContact C-N 3.35Å; Q87-F89 PolarHBondContact O-N 2.98Å; Q87-Y90 WeakPolarHBondContact O-CA 3.39Å; Q87-Y90 WeakPolarHBondContact O-CB 3.5Å; Q87-Y90 PolarHBondContact O-N 2.95Å; Q87-E91 PolarHBondContact O-N 2.63Å
88	R	92.5	Very high	93.5	Very high	123 Å²	123	90.1 Å²	90.1	46%	0.464	42%	0.418	S	S	.	.	H	α-helix	trans	-55.2	-39.4	174.3	75.4	-168.2	172.8	162.4	-1.8	112.3	E85 K86 E91 L92	E85-R88 WeakPolarHBondContact O-CG 3.28Å; E85-R88 PolarHBondContact O-NE 3.15Å; K86-R88 VanDerWaalsContact C-N 3.28Å; K86-R88 PolarHBondContact O-N 2.96Å; R88-E91 PolarHBondContact O-N 3.15Å; R88-L92 WeakPolarHBondContact O-CD1 3.5Å; R88-L92 PolarHBondContact O-N 3.24Å
89	F	95.2	Very high	93.6	Very high	5 Å²	5	91 Å²	91	2%	0.022	42%	0.421	C	S	.	.	H	α-helix	trans	-72.8	-30.4	178.4	-62.9	-67.8	0	0	0	112.4	P44 F47 F48 M51 W78 M81 K86 Q87 A93	P44-F89 WeakPolarHBondContact CA-O 3.39Å; P44-F89 HydrophobicContact CB-CB 4.01Å; F47-F89 HydrophobicContact CB-CD1 3.92Å; F48-F89 HydrophobicContact CB-CD1 3.97Å; F48-F89 HydrophobicContact CB-CD2 4.2Å; F48-F89 HydrophobicContact CB-CE1 3.87Å; F48-F89 HydrophobicContact CB-CE2 4.1Å; F48-F89 HydrophobicContact CB-CG 4.13Å; F48-F89 HydrophobicContact CB-CZ 3.94Å; F48-F89 HydrophobicContact CD2-CD2 4.42Å; F48-F89 HydrophobicContact CD2-CE1 4.37Å; F48-F89 AromaticContact CD2-CE2 3.65Å; F48-F89 HydrophobicContact CD2-CE2 3.65Å; F48-F89 AromaticContact CD2-CZ 3.62Å; F48-F89 HydrophobicContact CD2-CZ 3.62Å; F48-F89 HydrophobicContact CG-CE2 4.33Å; F48-F89 HydrophobicContact CG-CZ 4.28Å; M51-F89 HydrophobicContact CB-CE1 4.46Å; M51-F89 HydrophobicContact CG-CE1 3.94Å; W78-F89 HydrophobicContact CH2-CB 4.19Å; W78-F89 HydrophobicContact CH2-CD2 4.38Å; W78-F89 HydrophobicContact CZ3-CB 4.2Å; W78-F89 AromaticContact CZ3-CD2 3.69Å; W78-F89 HydrophobicContact CZ3-CD2 3.69Å; W78-F89 HydrophobicContact CZ3-CE2 4.35Å; W78-F89 HydrophobicContact CZ3-CG 4.1Å; M81-F89 HydrophobicContact CE-CD2 4.39Å; M81-F89 HydrophobicContact CE-CE2 3.96Å; M81-F89 HydrophobicContact SD-CE2 4.28Å; K86-F89 WeakPolarHBondContact O-CA 3.19Å; K86-F89 WeakPolarHBondContact O-CB 3.46Å; K86-F89 PolarHBondContact O-N 2.9Å; Q87-F89 PolarHBondContact O-N 2.98Å; F89-A93 WeakPolarHBondContact O-CB 3.07Å; F89-A93 PolarHBondContact O-N 3.43Å
90	Y	95.3	Very high	93.7	Very high	105 Å²	105	85.2 Å²	85.2	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-44.2	170.7	-75.5	-81.2	0	0	0	111.5	P44 K86 Q87 A93 Q94	P44-Y90 HydrophobicContact CB-CD1 4.15Å; P44-Y90 HydrophobicContact CB-CE1 4.31Å; P44-Y90 HydrophobicContact CB-CG 4.28Å; P44-Y90 HydrophobicContact CG-CD1 3.51Å; P44-Y90 HydrophobicContact CG-CE1 3.74Å; P44-Y90 HydrophobicContact CG-CG 4.05Å; K86-Y90 HydrophobicContact CB-CD2 4.21Å; K86-Y90 HydrophobicContact CB-CE2 3.91Å; K86-Y90 VanDerWaalsContact O-CD2 3.23Å; K86-Y90 WeakPolarHBondContact O-CD2 3.47Å; K86-Y90 PolarHBondContact O-N 3.09Å; K86-Y90 VanDerWaalsContact O-N 3.11Å; Q87-Y90 WeakPolarHBondContact O-CA 3.39Å; Q87-Y90 WeakPolarHBondContact O-CB 3.5Å; Q87-Y90 PolarHBondContact O-N 2.95Å; Y90-A93 CarbonylContact O-C 3.6Å; Y90-A93 PolarHBondContact O-N 2.88Å; Y90-A93 VanDerWaalsContact O-N 3.17Å; Y90-Q94 WeakPolarHBondContact O-CG 3.4Å; Y90-Q94 PolarHBondContact O-N 2.93Å
91	E	95.6	Very high	93.7	Very high	91 Å²	91	84.4 Å²	84.4	43%	0.425	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.6	-69.3	173.3	-167.7	0	0	112	Q87 R88 A93 Q94 K95	Q87-E91 PolarHBondContact O-N 2.63Å; R88-E91 PolarHBondContact O-N 3.15Å; E91-A93 VanDerWaalsContact C-N 3.3Å; E91-A93 PolarHBondContact O-N 3.01Å; E91-Q94 WeakPolarHBondContact O-CB 3.44Å; E91-Q94 PolarHBondContact O-N 2.72Å; E91-K95 PolarHBondContact O-N 3.05Å
92	L	94	Very high	93.9	Very high	76 Å²	76	86.7 Å²	86.7	40%	0.398	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-42.4	172.9	-91.9	81.8	0	0	0	111.6	F47 R88 Q94 K95 D96	F47-L92 HydrophobicContact CB-CD2 4.44Å; F47-L92 HydrophobicContact CD1-CB 4.45Å; F47-L92 HydrophobicContact CD1-CD2 3.89Å; F47-L92 HydrophobicContact CD2-CB 4.02Å; F47-L92 HydrophobicContact CE1-CD2 4.36Å; F47-L92 HydrophobicContact CE2-CB 4.27Å; F47-L92 HydrophobicContact CG-CB 4.12Å; F47-L92 HydrophobicContact CG-CD2 4.16Å; R88-L92 WeakPolarHBondContact O-CD1 3.5Å; R88-L92 PolarHBondContact O-N 3.24Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.38Å; L92-K95 PolarHBondContact O-N 3.29Å; L92-D96 WeakPolarHBondContact O-CB 3.33Å; L92-D96 PolarHBondContact O-N 3.31Å
93	A	95.8	Very high	93.9	Very high	15 Å²	15	86.2 Å²	86.2	12%	0.124	40%	0.397	C	S	.	.	H	α-helix	trans	-67.7	-31.9	177.2	0	0	0	0	0	113.1	P44 F47 F89 Y90 E91 R97	P44-A93 HydrophobicContact CB-CB 4.33Å; P44-A93 HydrophobicContact CG-CB 3.61Å; F47-A93 HydrophobicContact CD2-CB 4.36Å; F47-A93 HydrophobicContact CE2-CB 4.42Å; F89-A93 WeakPolarHBondContact O-CB 3.07Å; F89-A93 PolarHBondContact O-N 3.43Å; Y90-A93 CarbonylContact O-C 3.6Å; Y90-A93 PolarHBondContact O-N 2.88Å; Y90-A93 VanDerWaalsContact O-N 3.17Å; E91-A93 VanDerWaalsContact C-N 3.3Å; E91-A93 PolarHBondContact O-N 3.01Å; A93-R97 WeakPolarHBondContact O-CB 3.39Å; A93-R97 PolarHBondContact O-N 3.39Å
94	Q	95.6	Very high	94	Very high	113 Å²	113	79.5 Å²	79.5	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-49.6	172.8	-75.3	174.7	-39.5	0	0	111	Y90 E91 L92 D96 R97 E98	Y90-Q94 WeakPolarHBondContact O-CG 3.4Å; Y90-Q94 PolarHBondContact O-N 2.93Å; E91-Q94 WeakPolarHBondContact O-CB 3.44Å; E91-Q94 PolarHBondContact O-N 2.72Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.38Å; Q94-D96 VanDerWaalsContact C-N 3.28Å; Q94-D96 PolarHBondContact O-N 3.03Å; Q94-R97 WeakPolarHBondContact O-CA 3.46Å; Q94-R97 VanDerWaalsContact O-CB 3.28Å; Q94-R97 WeakPolarHBondContact O-CB 3.41Å; Q94-R97 PolarHBondContact O-N 2.86Å; Q94-E98 PolarHBondContact O-N 3.41Å; Q94-E98 VanDerWaalsContact O-N 3.09Å
95	K	95.8	Very high	94	Very high	144 Å²	144	74.9 Å²	74.9	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-59.6	-39	175.1	-69.6	178.7	179.2	174.6	0	112.1	E91 L92 R97 E98 R99	E91-K95 PolarHBondContact O-N 3.05Å; L92-K95 PolarHBondContact O-N 3.29Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 3.31Å; K95-E98 PolarHBondContact O-N 2.91Å; K95-R99 PolarHBondContact O-N 3.24Å
96	D	94.4	Very high	94	Very high	20 Å²	20	75 Å²	75	11%	0.107	37%	0.373	C	S	.	.	H	α-helix	trans	-68.5	-30.4	176.6	-165.9	67.9	0	0	0	113.1	K41 T42 F47 L92 Q94 R99 Y100	K41-D96 VanDerWaalsContact CA-OD2 3.26Å; K41-D96 WeakPolarHBondContact CA-OD2 3.49Å; T42-D96 PolarHBondContact N-OD2 2.81Å; F47-D96 HydrophobicContact CE2-CB 3.68Å; F47-D96 HydrophobicContact CZ-CB 3.6Å; L92-D96 WeakPolarHBondContact O-CB 3.33Å; L92-D96 PolarHBondContact O-N 3.31Å; Q94-D96 VanDerWaalsContact C-N 3.28Å; Q94-D96 PolarHBondContact O-N 3.03Å; D96-R99 VanDerWaalsContact CG-NH2 3.29Å; D96-R99 IonicContact OD1-CZ 3.87Å; D96-R99 IonicContact OD1-NE 3.48Å; D96-R99 PolarHBondContact OD1-NE 3.43Å; D96-R99 IonicContact OD1-NH2 3.93Å; D96-R99 PolarHBondContact OD1-NH2 3.22Å; D96-R99 IonicContact OD2-NH2 3.95Å; D96-R99 PolarHBondContact OD2-NH2 2.89Å; D96-R99 VanDerWaalsContact OD2-NH2 3.14Å; D96-Y100 WeakPolarHBondContact O-CB 3.25Å; D96-Y100 PolarHBondContact O-N 3.35Å
97	R	94.8	Very high	93.7	Very high	141 Å²	141	75.8 Å²	75.8	53%	0.532	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-43.3	171.9	-179.8	-174.1	178.5	174.5	0.4	110.9	A93 Q94 K95 Y100 Q101	A93-R97 WeakPolarHBondContact O-CB 3.39Å; A93-R97 PolarHBondContact O-N 3.39Å; Q94-R97 WeakPolarHBondContact O-CA 3.46Å; Q94-R97 VanDerWaalsContact O-CB 3.28Å; Q94-R97 WeakPolarHBondContact O-CB 3.41Å; Q94-R97 PolarHBondContact O-N 2.86Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 3.31Å; R97-Y100 PolarHBondContact O-N 3.47Å; R97-Q101 WeakPolarHBondContact O-CB 3.47Å; R97-Q101 VanDerWaalsContact O-CG 3.31Å; R97-Q101 WeakPolarHBondContact O-CG 3.16Å; R97-Q101 PolarHBondContact O-N 2.88Å
98	E	95.3	Very high	93.4	Very high	124 Å²	124	74.6 Å²	74.6	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-63.7	-47.6	176.9	-68.6	168.8	-174.4	0	0	111.1	Q94 K95 Y100 Q101 A102	Q94-E98 PolarHBondContact O-N 3.41Å; Q94-E98 VanDerWaalsContact O-N 3.09Å; K95-E98 PolarHBondContact O-N 2.91Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 3.45Å; E98-Q101 PolarHBondContact O-N 2.96Å; E98-Q101 VanDerWaalsContact O-N 3.16Å; E98-A102 PolarHBondContact O-N 3.12Å
99	R	95	Very high	93.3	Very high	63 Å²	63	69.9 Å²	69.9	24%	0.238	38%	0.375	C	S	.	.	H	α-helix	trans	-52.1	-51.1	171.3	178.5	-161.1	61.3	75.1	8.3	111.3	R39 K95 D96 Q101 A102 E103	R39-R99 PolarHBondContact O-NH1 3.02Å; R39-R99 PolarHBondContact O-NH2 3.03Å; R39-R99 VanDerWaalsContact O-NH2 3.15Å; K95-R99 PolarHBondContact O-N 3.24Å; D96-R99 VanDerWaalsContact CG-NH2 3.29Å; D96-R99 IonicContact OD1-CZ 3.87Å; D96-R99 IonicContact OD1-NE 3.48Å; D96-R99 PolarHBondContact OD1-NE 3.43Å; D96-R99 IonicContact OD1-NH2 3.93Å; D96-R99 PolarHBondContact OD1-NH2 3.22Å; D96-R99 IonicContact OD2-NH2 3.95Å; D96-R99 PolarHBondContact OD2-NH2 2.89Å; D96-R99 VanDerWaalsContact OD2-NH2 3.14Å; R99-Q101 VanDerWaalsContact C-N 3.33Å; R99-Q101 PolarHBondContact O-N 3.04Å; R99-A102 PolarHBondContact O-N 3.44Å; R99-E103 WeakPolarHBondContact CD-OE1 3.26Å; R99-E103 HydrophobicContact CG-CG 4.45Å; R99-E103 WeakPolarHBondContact CG-OE1 3.37Å; R99-E103 IonicContact CZ-OE1 3.14Å; R99-E103 IonicContact NE-OE1 3.21Å; R99-E103 IonicContact NH1-OE1 2.83Å; R99-E103 PolarHBondContact NH1-OE1 3.44Å; R99-E103 IonicContact NH1-OE2 2.73Å; R99-E103 PolarHBondContact NH1-OE2 3.27Å; R99-E103 WeakPolarHBondContact O-CB 3.49Å; R99-E103 WeakPolarHBondContact O-CG 3.42Å; R99-E103 PolarHBondContact O-N 3.37Å
100	Y	93.9	Very high	92.9	Very high	36 Å²	36	73.2 Å²	73.2	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-42.6	179.8	174.1	-104.6	0	0	0	111.9	P38 R39 K41 D96 R97 E98 E103 V104 E110 L113	P38-Y100 HydrophobicContact CB-CD2 4.39Å; P38-Y100 HydrophobicContact CB-CE2 4.31Å; R39-Y100 VanDerWaalsContact O-CD2 3.23Å; R39-Y100 WeakPolarHBondContact O-CD2 3.4Å; K41-Y100 HydrophobicContact CB-CD1 4.44Å; K41-Y100 HydrophobicContact CB-CG 4.25Å; D96-Y100 WeakPolarHBondContact O-CB 3.25Å; D96-Y100 PolarHBondContact O-N 3.35Å; R97-Y100 PolarHBondContact O-N 3.47Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 3.45Å; Y100-E103 PolarHBondContact O-N 3.19Å; Y100-V104 HydrophobicContact CD1-CG2 4.24Å; Y100-V104 HydrophobicContact CD2-CG2 3.93Å; Y100-V104 HydrophobicContact CE1-CG2 3.8Å; Y100-V104 HydrophobicContact CE2-CG2 3.49Å; Y100-V104 VanDerWaalsContact CE2-CG2 3.49Å; Y100-V104 HydrophobicContact CG-CG2 4.31Å; Y100-V104 VanDerWaalsContact CZ-CG2 3.41Å; Y100-V104 WeakPolarHBondContact O-CB 3.38Å; Y100-V104 WeakPolarHBondContact O-CG2 3.43Å; Y100-V104 PolarHBondContact O-N 2.84Å; Y100-E110 PolarHBondContact OH-OE2 2.87Å; Y100-L113 VanDerWaalsContact OH-CD2 3.29Å; Y100-L113 WeakPolarHBondContact OH-CD2 3.29Å
101	Q	93	Very high	92.4	Very high	99 Å²	99	74 Å²	74	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-43.4	177.8	-75.1	174.1	-15.8	0	0	111.9	R97 E98 R99 V104 A105	R97-Q101 WeakPolarHBondContact O-CB 3.47Å; R97-Q101 VanDerWaalsContact O-CG 3.31Å; R97-Q101 WeakPolarHBondContact O-CG 3.16Å; R97-Q101 PolarHBondContact O-N 2.88Å; E98-Q101 PolarHBondContact O-N 2.96Å; E98-Q101 VanDerWaalsContact O-N 3.16Å; R99-Q101 VanDerWaalsContact C-N 3.33Å; R99-Q101 PolarHBondContact O-N 3.04Å; Q101-V104 PolarHBondContact O-N 3.38Å; Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 2.82Å
102	A	93.8	Very high	91.8	Very high	62 Å²	62	71.1 Å²	71.1	51%	0.512	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-45.5	176	0	0	0	0	0	112.1	E98 R99 V104 A105 A106	E98-A102 PolarHBondContact O-N 3.12Å; R99-A102 PolarHBondContact O-N 3.44Å; A102-V104 PolarHBondContact O-N 3.5Å; A102-A105 PolarHBondContact O-N 2.89Å; A102-A106 WeakPolarHBondContact O-CB 3.45Å; A102-A106 PolarHBondContact O-N 3.1Å
103	E	93.4	Very high	91.3	Very high	63 Å²	63	68.6 Å²	68.6	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.4	-74.1	178.7	-160.3	0	0	111.7	P38 R39 R99 Y100 A106 Y107	P38-E103 WeakPolarHBondContact CA-OE2 3.35Å; P38-E103 HydrophobicContact CB-CB 3.72Å; P38-E103 HydrophobicContact CG-CB 3.98Å; P38-E103 WeakPolarHBondContact CG-O 3.47Å; R39-E103 PolarHBondContact N-OE2 3.39Å; R39-E103 VanDerWaalsContact N-OE2 3.1Å; R99-E103 WeakPolarHBondContact CD-OE1 3.26Å; R99-E103 HydrophobicContact CG-CG 4.45Å; R99-E103 WeakPolarHBondContact CG-OE1 3.37Å; R99-E103 IonicContact CZ-OE1 3.14Å; R99-E103 IonicContact NE-OE1 3.21Å; R99-E103 IonicContact NH1-OE1 2.83Å; R99-E103 PolarHBondContact NH1-OE1 3.44Å; R99-E103 IonicContact NH1-OE2 2.73Å; R99-E103 PolarHBondContact NH1-OE2 3.27Å; R99-E103 WeakPolarHBondContact O-CB 3.49Å; R99-E103 WeakPolarHBondContact O-CG 3.42Å; R99-E103 PolarHBondContact O-N 3.37Å; Y100-E103 PolarHBondContact O-N 3.19Å; E103-A106 PolarHBondContact O-N 2.98Å; E103-Y107 VanDerWaalsContact O-CB 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.48Å; E103-Y107 PolarHBondContact O-N 3.5Å
104	V	91.5	Very high	90.7	Very high	11 Å²	11	75.1 Å²	75.1	7%	0.067	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-41.2	177.1	168.8	0	0	0	0	111.4	P38 Y100 Q101 A102 Y107 G108 G109 E110 L113	P38-V104 HydrophobicContact CB-CG2 3.88Å; P38-V104 HydrophobicContact CG-CG2 4.01Å; Y100-V104 HydrophobicContact CD1-CG2 4.24Å; Y100-V104 HydrophobicContact CD2-CG2 3.93Å; Y100-V104 HydrophobicContact CE1-CG2 3.8Å; Y100-V104 HydrophobicContact CE2-CG2 3.49Å; Y100-V104 VanDerWaalsContact CE2-CG2 3.49Å; Y100-V104 HydrophobicContact CG-CG2 4.31Å; Y100-V104 VanDerWaalsContact CZ-CG2 3.41Å; Y100-V104 WeakPolarHBondContact O-CB 3.38Å; Y100-V104 WeakPolarHBondContact O-CG2 3.43Å; Y100-V104 PolarHBondContact O-N 2.84Å; Q101-V104 PolarHBondContact O-N 3.38Å; A102-V104 PolarHBondContact O-N 3.5Å; V104-Y107 PolarHBondContact O-N 3.09Å; V104-G108 PolarHBondContact O-N 3.47Å; V104-G109 VanDerWaalsContact CG1-C 3.48Å; V104-G109 VanDerWaalsContact O-CA 3.32Å; V104-G109 WeakPolarHBondContact O-CA 3.47Å; V104-G109 PolarHBondContact O-N 3.4Å; V104-E110 HydrophobicContact CG1-CB 4.39Å; V104-L113 HydrophobicContact CG2-CD2 4.49Å
105	A	91.3	Very high	89.8	Confident	73 Å²	73	78.1 Å²	78.1	60%	0.603	41%	0.413	S	S	*	.	H	α-helix	trans	-60.4	-46.9	175	0	0	0	0	0	111	Q101 A102 Y107 G108	Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 2.82Å; A102-A105 PolarHBondContact O-N 2.89Å; A105-Y107 VanDerWaalsContact C-N 3.25Å; A105-Y107 PolarHBondContact O-N 2.84Å; A105-G108 PolarHBondContact O-N 3.45Å
106	A	89.8	Confident	88.6	Confident	93 Å²	93	77.8 Å²	77.8	77%	0.769	41%	0.408	S	S	*	.	H	α-helix	trans	-63.2	-29	175.8	0	0	0	0	0	113.3	A102 E103 G108	A102-A106 WeakPolarHBondContact O-CB 3.45Å; A102-A106 PolarHBondContact O-N 3.1Å; E103-A106 PolarHBondContact O-N 2.98Å; A106-G108 VanDerWaalsContact C-N 3.29Å; A106-G108 PolarHBondContact O-N 2.81Å
107	Y	87.3	Confident	87.4	Confident	53 Å²	53	84.8 Å²	84.8	21%	0.208	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.1	178.6	-166.7	-106.1	0	0	0	114.4	G36 K37 P38 E103 V104 A105 L113 R116	G36-Y107 WeakPolarHBondContact O-CD2 3.27Å; G36-Y107 WeakPolarHBondContact O-CE2 3.36Å; K37-Y107 HydrophobicContact CB-CE2 4.49Å; P38-Y107 VanDerWaalsContact CD-CG 3.44Å; P38-Y107 HydrophobicContact CG-CD1 4.32Å; P38-Y107 HydrophobicContact CG-CD2 4.42Å; P38-Y107 HydrophobicContact CG-CG 3.88Å; E103-Y107 VanDerWaalsContact O-CB 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.48Å; E103-Y107 PolarHBondContact O-N 3.5Å; V104-Y107 PolarHBondContact O-N 3.09Å; A105-Y107 VanDerWaalsContact C-N 3.25Å; A105-Y107 PolarHBondContact O-N 2.84Å; Y107-L113 HydrophobicContact CD1-CD1 3.98Å; Y107-L113 HydrophobicContact CE1-CD1 3.88Å; Y107-R116 WeakPolarHBondContact OH-CD 3.05Å; Y107-R116 PolarHBondContact OH-NE 2.92Å; Y107-R116 PolarHBondContact OH-NH1 3.4Å
108	G	88.3	Confident	86.1	Confident	57 Å²	57	87.2 Å²	87.2	59%	0.588	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	19.4	-178.2	0	0	0	0	0	114.6	V104 A105 A106 A112	V104-G108 PolarHBondContact O-N 3.47Å; A105-G108 PolarHBondContact O-N 3.45Å; A106-G108 VanDerWaalsContact C-N 3.29Å; A106-G108 PolarHBondContact O-N 2.81Å; G108-A112 VanDerWaalsContact O-CB 3.27Å; G108-A112 WeakPolarHBondContact O-CB 3.47Å
109	G	89.9	Confident	84.5	Confident	23 Å²	23	87.7 Å²	87.7	24%	0.237	45%	0.453	C	S	.	.	H	α-helix	trans	85.1	174.9	172.9	0	0	0	0	0	115.1	V104 D111 A112 L113	V104-G109 VanDerWaalsContact CG1-C 3.48Å; V104-G109 VanDerWaalsContact O-CA 3.32Å; V104-G109 WeakPolarHBondContact O-CA 3.47Å; V104-G109 PolarHBondContact O-N 3.4Å; G109-D111 VanDerWaalsContact C-N 3.26Å; G109-D111 PolarHBondContact O-N 3.37Å; G109-A112 PolarHBondContact O-N 3.15Å; G109-L113 PolarHBondContact O-N 3.49Å
110	E	86.4	Confident	83.1	Confident	75 Å²	75	94.2 Å²	94.2	35%	0.35	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-31.8	-177.3	-178.5	62.4	-150.1	0	0	111.8	Y100 V104 L113 R114	Y100-E110 PolarHBondContact OH-OE2 2.87Å; V104-E110 HydrophobicContact CG1-CB 4.39Å; E110-L113 WeakPolarHBondContact O-CB 3.24Å; E110-L113 PolarHBondContact O-N 3.28Å; E110-R114 HydrophobicContact CG-CG 4.46Å; E110-R114 WeakPolarHBondContact O-CB 3.34Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.4Å; E110-R114 PolarHBondContact O-N 3.02Å; E110-R114 IonicContact OE1-NE 2.77Å; E110-R114 PolarHBondContact OE1-NE 3.34Å
111	D	85	Confident	81.9	Confident	121 Å²	121	100 Å²	100	65%	0.647	51%	0.509	S	S	*	.	H	α-helix	trans	-67.9	-37.3	177.4	-70	-35.1	0	0	0	112.7	G109 L113 R114 K115	G109-D111 VanDerWaalsContact C-N 3.26Å; G109-D111 PolarHBondContact O-N 3.37Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.38Å; D111-R114 PolarHBondContact O-N 2.98Å; D111-K115 VanDerWaalsContact O-CB 3.26Å; D111-K115 WeakPolarHBondContact O-CB 3.46Å; D111-K115 PolarHBondContact O-N 3.09Å
112	A	84.2	Confident	80.8	Confident	31 Å²	31	100 Å²	100	26%	0.256	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-41.5	172.9	0	0	0	0	0	110.9	G108 G109 R116	G108-A112 VanDerWaalsContact O-CB 3.27Å; G108-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 3.15Å; A112-R116 WeakPolarHBondContact O-CB 3.26Å; A112-R116 PolarHBondContact O-N 2.89Å
113	L	83.9	Confident	79.9	Confident	23 Å²	23	102.7 Å²	102.7	12%	0.12	53%	0.525	C	S	.	.	H	α-helix	trans	-64.6	-43.1	176.8	-157.8	74.3	0	0	0	111.8	K37 Y100 V104 Y107 G109 E110 D111 K117	K37-L113 HydrophobicContact CG-CD1 4.09Å; Y100-L113 VanDerWaalsContact OH-CD2 3.29Å; Y100-L113 WeakPolarHBondContact OH-CD2 3.29Å; V104-L113 HydrophobicContact CG2-CD2 4.49Å; Y107-L113 HydrophobicContact CD1-CD1 3.98Å; Y107-L113 HydrophobicContact CE1-CD1 3.88Å; G109-L113 PolarHBondContact O-N 3.49Å; E110-L113 WeakPolarHBondContact O-CB 3.24Å; E110-L113 PolarHBondContact O-N 3.28Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.38Å; L113-K117 WeakPolarHBondContact O-CB 3.43Å; L113-K117 PolarHBondContact O-N 2.86Å
114	R	82.2	Confident	79	Confident	153 Å²	153	102 Å²	102	58%	0.577	52%	0.523	S	S	*	.	H	α-helix	trans	-66.1	-44.7	176.6	-73.3	172.7	179.8	-169.5	-0.6	112.5	E110 D111 R116 K117 R118	E110-R114 HydrophobicContact CG-CG 4.46Å; E110-R114 WeakPolarHBondContact O-CB 3.34Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.4Å; E110-R114 PolarHBondContact O-N 3.02Å; E110-R114 IonicContact OE1-NE 2.77Å; E110-R114 PolarHBondContact OE1-NE 3.34Å; D111-R114 PolarHBondContact O-N 2.98Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 3.37Å; R114-K117 WeakPolarHBondContact O-CB 3.36Å; R114-K117 PolarHBondContact O-N 2.99Å; R114-K117 VanDerWaalsContact O-N 3.13Å; R114-R118 PolarHBondContact O-N 3.44Å; R114-R118 VanDerWaalsContact O-N 3.1Å
115	K	76.2	Confident	78.4	Confident	176 Å²	176	103.1 Å²	103.1	77%	0.765	53%	0.534	S	S	*	.	H	α-helix	trans	-62.1	-40.3	178.8	-170.5	175.1	-177.7	178.6	0	111.2	D111 R118	D111-K115 VanDerWaalsContact O-CB 3.26Å; D111-K115 WeakPolarHBondContact O-CB 3.46Å; D111-K115 PolarHBondContact O-N 3.09Å; K115-R118 PolarHBondContact O-N 3.45Å
116	R	70.6	Confident	78	Confident	136 Å²	136	100.6 Å²	100.6	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-69.5	-32.9	173.1	-80.9	-176.2	150.5	-107.1	0.5	113.3	E34 Y107 A112 R114 R118	E34-R116 VanDerWaalsContact CD-NH1 3.26Å; E34-R116 IonicContact OE1-NH1 3.25Å; E34-R116 PolarHBondContact OE1-NH1 3.5Å; E34-R116 IonicContact OE2-NH1 3.06Å; E34-R116 PolarHBondContact OE2-NH1 3.46Å; Y107-R116 WeakPolarHBondContact OH-CD 3.05Å; Y107-R116 PolarHBondContact OH-NE 2.92Å; Y107-R116 PolarHBondContact OH-NH1 3.4Å; A112-R116 WeakPolarHBondContact O-CB 3.26Å; A112-R116 PolarHBondContact O-N 2.89Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 3.37Å; R116-R118 VanDerWaalsContact C-N 3.28Å; R116-R118 PolarHBondContact O-N 3.22Å
117	K	70.2	Confident	77.6	Confident	168 Å²	168	102.6 Å²	102.6	73%	0.73	50%	0.502	S	S	*	.	H	α-helix	trans	-67.7	-26.4	175.3	-172.7	178.2	178.6	-176	0	112.6	L113 R114 N119	L113-K117 WeakPolarHBondContact O-CB 3.43Å; L113-K117 PolarHBondContact O-N 2.86Å; R114-K117 WeakPolarHBondContact O-CB 3.36Å; R114-K117 PolarHBondContact O-N 2.99Å; R114-K117 VanDerWaalsContact O-N 3.13Å; K117-N119 VanDerWaalsContact C-N 3.26Å; K117-N119 PolarHBondContact O-N 3.46Å
118	R	67.5	Low	77.6	Confident	192 Å²	192	106.6 Å²	106.6	73%	0.725	52%	0.517	S	S	*	.	S	Bend	trans	-69.6	88.8	171.2	-166.2	179.3	-169.9	-168.9	5.2	108.3	R114 K115 R116 K120	R114-R118 PolarHBondContact O-N 3.44Å; R114-R118 VanDerWaalsContact O-N 3.1Å; K115-R118 PolarHBondContact O-N 3.45Å; R116-R118 VanDerWaalsContact C-N 3.28Å; R116-R118 PolarHBondContact O-N 3.22Å; R118-K120 PolarHBondContact O-N 2.84Å
119	N	61.9	Low	77.7	Confident	134 Å²	134	105.1 Å²	105.1	72%	0.717	50%	0.499	S	S	*	.			trans	-45.3	132.9	176.4	-75.3	-9.3	0	0	0	109.7	K117 K121	K117-N119 VanDerWaalsContact C-N 3.26Å; K117-N119 PolarHBondContact O-N 3.46Å; N119-K121 PolarHBondContact O-N 3.1Å
120	K	65.3	Low	77.7	Confident	199 Å²	199	105.8 Å²	105.8	87%	0.865	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-54.4	117.4	169.2	-72	127.8	179.1	-177.2	0	105.9	R118 D122	R118-K120 PolarHBondContact O-N 2.84Å; K120-D122 PolarHBondContact O-N 3.23Å
121	K	67.8	Low	78	Confident	158 Å²	158	105.4 Å²	105.4	69%	0.687	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-59	127.5	179.4	-67.8	177.1	177.5	-174.6	0	106.8	N119	N119-K121 PolarHBondContact O-N 3.1Å
122	D	70.5	Confident	78.3	Confident	98 Å²	98	99.9 Å²	99.9	52%	0.524	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-52.9	127.1	177	-65.4	-57.4	0	0	0	108.1	K120 N124 A125 Y193	K120-D122 PolarHBondContact O-N 3.23Å; D122-N124 PolarHBondContact O-N 2.98Å; D122-N124 VanDerWaalsContact O-N 3.09Å; D122-A125 HydrophobicContact CB-CB 4.08Å; D122-A125 WeakPolarHBondContact O-CB 3.28Å; D122-A125 PolarHBondContact O-N 3.13Å; D122-Y193 WeakPolarHBondContact CB-OH 3.43Å; D122-Y193 PolarHBondContact OD2-OH 2.9Å; D122-Y193 VanDerWaalsContact OD2-OH 3.09Å
123	P	75.4	Confident	78.7	Confident	120 Å²	120	101 Å²	101	78%	0.779	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.9	-178.3	24.2	-33.4	0	0	0	112.1
124	N	74.7	Confident	79.1	Confident	49 Å²	49	103.6 Å²	103.6	26%	0.262	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.4	178.5	-61.4	-24.1	0	0	0	113.3	D122 Y193	D122-N124 PolarHBondContact O-N 2.98Å; D122-N124 VanDerWaalsContact O-N 3.09Å; N124-Y193 HydrophobicContact CB-CE2 4.35Å; N124-Y193 WeakPolarHBondContact O-CD2 3.49Å; N124-Y193 WeakPolarHBondContact O-CE2 3.4Å
125	A	79.2	Confident	79.5	Confident	34 Å²	34	96.3 Å²	96.3	28%	0.281	46%	0.456	S	S	.	.	S	Bend	trans	-69.4	134.4	176.2	0	0	0	0	0	110.2	D122 K127 Y193	D122-A125 HydrophobicContact CB-CB 4.08Å; D122-A125 WeakPolarHBondContact O-CB 3.28Å; D122-A125 PolarHBondContact O-N 3.13Å; A125-K127 PolarHBondContact O-N 3.06Å; A125-Y193 HydrophobicContact CB-CE1 4.18Å; A125-Y193 HydrophobicContact CB-CE2 4.33Å
126	P	81.1	Confident	80.2	Confident	19 Å²	19	87.9 Å²	87.9	12%	0.123	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-51.3	135.1	173.9	-28.3	34.6	0	0	0	111.4	R128 Y186 E189 M190 Y193	P126-R128 PolarHBondContact O-N 3.44Å; P126-Y186 HydrophobicContact CB-CD2 4.13Å; P126-Y186 HydrophobicContact CB-CE2 4.09Å; P126-E189 HydrophobicContact CB-CB 3.75Å; P126-E189 HydrophobicContact CG-CB 3.81Å; P126-E189 WeakPolarHBondContact CG-O 3.16Å; P126-M190 HydrophobicContact CB-CG 4.22Å; P126-M190 HydrophobicContact CB-SD 3.83Å; P126-M190 HydrophobicContact CG-CG 4.33Å; P126-M190 HydrophobicContact CG-SD 3.72Å; P126-Y193 VanDerWaalsContact CD-CG 3.41Å; P126-Y193 HydrophobicContact CG-CG 4.14Å
127	K	82.6	Confident	81.1	Confident	135 Å²	135	82.3 Å²	82.3	59%	0.587	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-68.8	132.4	176	-75.4	-175.4	175.2	-178.7	0	109.3	A125 Y186	A125-K127 PolarHBondContact O-N 3.06Å; K127-Y186 WeakPolarHBondContact O-CD2 3.33Å
128	R	87.4	Confident	81.9	Confident	138 Å²	138	78.2 Å²	78.2	52%	0.521	38%	0.384	S	S	.	.			trans	-44.7	144.9	175.5	67	177	-173.4	85.7	-4.3	111.8	P126	P126-R128 PolarHBondContact O-N 3.44Å
129	A	89.6	Confident	82.9	Confident	25 Å²	25	70.4 Å²	70.4	21%	0.207	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-57.3	145	170.9	0	0	0	0	0	111.4	D182 K183 Y186	A129-D182 WeakPolarHBondContact CA-OD2 3.17Å; A129-K183 HydrophobicContact CB-CB 4.34Å; A129-Y186 HydrophobicContact CB-CD1 4.31Å; A129-Y186 HydrophobicContact CB-CG 4.2Å
130	L	89.9	Confident	84.1	Confident	37 Å²	37	67.5 Å²	67.5	19%	0.194	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-87.9	146.4	173.3	-65.4	178.8	0	0	0	110.3	F134 F135 D182	L130-F134 HydrophobicContact CB-CB 4.26Å; L130-F134 HydrophobicContact CD2-CB 4.17Å; L130-F134 HydrophobicContact CD2-CG 4.43Å; L130-F135 HydrophobicContact CB-CD2 4.25Å; L130-F135 HydrophobicContact CB-CE2 3.59Å; L130-F135 HydrophobicContact CB-CZ 3.78Å; L130-F135 HydrophobicContact CD1-CE1 4.37Å; L130-F135 HydrophobicContact CD1-CZ 4.23Å; L130-D182 PolarHBondContact N-OD2 3.02Å
131	S	92.6	Very high	85.3	Confident	67 Å²	67	62.2 Å²	62.2	47%	0.469	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-87.5	160.6	172.3	171	0	0	0	0	109.9	F133 F134 F135	S131-F133 VanDerWaalsContact C-N 3.26Å; S131-F133 PolarHBondContact O-N 3.1Å; S131-F134 WeakPolarHBondContact O-CB 3.35Å; S131-F134 PolarHBondContact O-N 3.19Å; S131-F135 WeakPolarHBondContact O-CD2 3.1Å; S131-F135 PolarHBondContact O-N 2.96Å
132	A	92.2	Very high	86.3	Confident	5 Å²	5	57.7 Å²	57.7	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-48.7	-45.6	178.9	0	0	0	0	0	112.7	F134 F135 F136 W164 Y175 E176 A179	A132-F134 VanDerWaalsContact C-N 3.26Å; A132-F134 PolarHBondContact O-N 3.31Å; A132-F135 WeakPolarHBondContact O-CA 3.1Å; A132-F135 WeakPolarHBondContact O-CB 3.44Å; A132-F135 PolarHBondContact O-N 2.81Å; A132-F136 PolarHBondContact O-N 3.34Å; A132-W164 HydrophobicContact CB-CH2 3.67Å; A132-W164 HydrophobicContact CB-CZ2 3.96Å; A132-Y175 WeakPolarHBondContact CA-O 3.26Å; A132-Y175 WeakPolarHBondContact CB-O 3.42Å; A132-E176 HydrophobicContact CB-CB 4.36Å; A132-E176 HydrophobicContact CB-CG 3.68Å; A132-A179 HydrophobicContact CB-CB 4.2Å
133	F	92.6	Very high	87.1	Confident	56 Å²	56	56.8 Å²	56.8	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-35.8	176.5	174.1	-107.7	0	0	0	113.5	S131 F136 S137 W164	S131-F133 VanDerWaalsContact C-N 3.26Å; S131-F133 PolarHBondContact O-N 3.1Å; F133-F136 HydrophobicContact CD2-CD1 4.41Å; F133-F136 HydrophobicContact CE2-CD1 4.48Å; F133-F136 PolarHBondContact O-N 2.94Å; F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 2.88Å; F133-W164 HydrophobicContact CB-CD2 4.35Å; F133-W164 HydrophobicContact CB-CZ2 4.33Å; F133-W164 HydrophobicContact CD2-CB 3.73Å; F133-W164 AromaticContact CD2-CD1 3.81Å; F133-W164 AromaticContact CD2-CD2 3.83Å; F133-W164 HydrophobicContact CD2-CD2 3.83Å; F133-W164 HydrophobicContact CD2-CE3 4.43Å; F133-W164 AromaticContact CD2-CG 3.48Å; F133-W164 HydrophobicContact CD2-CG 3.48Å; F133-W164 VanDerWaalsContact CD2-CG 3.48Å; F133-W164 HydrophobicContact CE2-CB 3.84Å; F133-W164 HydrophobicContact CE2-CG 4.1Å
134	F	92	Very high	87.8	Confident	76 Å²	76	51.7 Å²	51.7	33%	0.333	26%	0.262	S	S	.	.	H	α-helix	trans	-73.5	-30.3	177.5	-75.2	-73.8	0	0	0	112.1	L130 S131 A132 H138	L130-F134 HydrophobicContact CB-CB 4.26Å; L130-F134 HydrophobicContact CD2-CB 4.17Å; L130-F134 HydrophobicContact CD2-CG 4.43Å; S131-F134 WeakPolarHBondContact O-CB 3.35Å; S131-F134 PolarHBondContact O-N 3.19Å; A132-F134 VanDerWaalsContact C-N 3.26Å; A132-F134 PolarHBondContact O-N 3.31Å; F134-H138 VanDerWaalsContact O-CG 3.26Å; F134-H138 PolarHBondContact O-N 3.41Å; F134-H138 VanDerWaalsContact O-N 3.07Å; F134-H138 PolarHBondContact O-ND1 3.33Å
135	F	90.1	Very high	88.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-51.2	171	-74.4	-75.4	0	0	0	110.7	L130 S131 A132 S137 H138 V139 Y175 M178 A179 D182 P209 C210	L130-F135 HydrophobicContact CB-CD2 4.25Å; L130-F135 HydrophobicContact CB-CE2 3.59Å; L130-F135 HydrophobicContact CB-CZ 3.78Å; L130-F135 HydrophobicContact CD1-CE1 4.37Å; L130-F135 HydrophobicContact CD1-CZ 4.23Å; S131-F135 WeakPolarHBondContact O-CD2 3.1Å; S131-F135 PolarHBondContact O-N 2.96Å; A132-F135 WeakPolarHBondContact O-CA 3.1Å; A132-F135 WeakPolarHBondContact O-CB 3.44Å; A132-F135 PolarHBondContact O-N 2.81Å; F135-S137 PolarHBondContact O-N 3.29Å; F135-H138 PolarHBondContact O-N 3.26Å; F135-V139 PolarHBondContact O-N 3.27Å; F135-Y175 HydrophobicContact CB-CD1 3.85Å; F135-M178 HydrophobicContact CB-SD 4.03Å; F135-M178 HydrophobicContact CD1-CB 4.31Å; F135-M178 HydrophobicContact CD1-SD 4.16Å; F135-M178 HydrophobicContact CD2-CB 4.15Å; F135-M178 HydrophobicContact CE2-CB 4.37Å; F135-M178 HydrophobicContact CG-CB 4.15Å; F135-M178 HydrophobicContact CG-SD 4.13Å; F135-A179 HydrophobicContact CD2-CB 4.26Å; F135-A179 HydrophobicContact CE2-CB 4.19Å; F135-D182 HydrophobicContact CE2-CB 3.98Å; F135-D182 HydrophobicContact CZ-CB 3.62Å; F135-P209 HydrophobicContact CE1-CB 3.72Å; F135-P209 HydrophobicContact CE1-CG 3.9Å; F135-P209 HydrophobicContact CZ-CB 4.42Å; F135-P209 HydrophobicContact CZ-CG 4.25Å; F135-C210 WeakPolarHBondContact CD1-SG 3.16Å
136	F	90.2	Very high	89	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.1	-50.1	174.9	171.7	-100.5	0	0	0	112.4	A132 F133 H138 V139 K140 L160 M163 W164 L167 Y175	A132-F136 PolarHBondContact O-N 3.34Å; F133-F136 HydrophobicContact CD2-CD1 4.41Å; F133-F136 HydrophobicContact CE2-CD1 4.48Å; F133-F136 PolarHBondContact O-N 2.94Å; F136-H138 VanDerWaalsContact C-N 3.31Å; F136-H138 PolarHBondContact O-N 2.87Å; F136-V139 PolarHBondContact O-N 3.28Å; F136-V139 VanDerWaalsContact O-N 3.1Å; F136-K140 HydrophobicContact CD2-CG 3.98Å; F136-K140 HydrophobicContact CE1-CG 4.47Å; F136-K140 HydrophobicContact CE2-CB 4.37Å; F136-K140 HydrophobicContact CE2-CD 4.47Å; F136-K140 HydrophobicContact CE2-CG 3.5Å; F136-K140 VanDerWaalsContact CE2-CG 3.5Å; F136-K140 HydrophobicContact CZ-CB 4.22Å; F136-K140 HydrophobicContact CZ-CG 3.77Å; F136-K140 PolarHBondContact O-N 3.43Å; F136-L160 HydrophobicContact CE1-CD2 4.22Å; F136-L160 WeakPolarHBondContact CE1-O 3.21Å; F136-M163 HydrophobicContact CE1-CB 4.19Å; F136-M163 HydrophobicContact CZ-CB 3.8Å; F136-W164 HydrophobicContact CB-CE3 3.61Å; F136-W164 HydrophobicContact CB-CZ3 3.55Å; F136-W164 HydrophobicContact CD1-CB 4.15Å; F136-W164 HydrophobicContact CD1-CD2 4.43Å; F136-W164 AromaticContact CD1-CE3 3.71Å; F136-W164 HydrophobicContact CD1-CE3 3.71Å; F136-W164 HydrophobicContact CD2-CE3 4.06Å; F136-W164 HydrophobicContact CD2-CZ3 4.34Å; F136-W164 HydrophobicContact CE1-CB 4.03Å; F136-W164 HydrophobicContact CE1-CE3 4.4Å; F136-W164 AromaticContact CG-CE3 3.51Å; F136-W164 HydrophobicContact CG-CE3 3.51Å; F136-W164 AromaticContact CG-CZ3 3.91Å; F136-W164 HydrophobicContact CG-CZ3 3.91Å; F136-L167 HydrophobicContact CD2-CD1 4.39Å; F136-L167 HydrophobicContact CD2-CD2 3.71Å; F136-L167 HydrophobicContact CE2-CD1 3.45Å; F136-L167 VanDerWaalsContact CE2-CD1 3.45Å; F136-L167 HydrophobicContact CE2-CD2 3.58Å; F136-L167 HydrophobicContact CE2-CG 4.18Å; F136-L167 HydrophobicContact CZ-CD1 3.67Å; F136-L167 HydrophobicContact CZ-CD2 4.45Å; F136-Y175 HydrophobicContact CB-CD1 4.14Å; F136-Y175 HydrophobicContact CB-CD2 4.25Å; F136-Y175 HydrophobicContact CB-CE1 4.16Å; F136-Y175 HydrophobicContact CB-CE2 4.3Å; F136-Y175 HydrophobicContact CB-CG 4.19Å; F136-Y175 HydrophobicContact CD2-CD2 4.41Å; F136-Y175 AromaticContact CD2-CE2 3.79Å; F136-Y175 HydrophobicContact CD2-CE2 3.79Å; F136-Y175 AromaticContact CD2-CZ 3.88Å
137	S	90.5	Very high	89.5	Confident	18 Å²	18	59.3 Å²	59.3	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-40.6	-179.5	178.7	0	0	0	0	111.9	F133 F135 V139 R141 L160	F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 2.88Å; F135-S137 PolarHBondContact O-N 3.29Å; S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 3.07Å; S137-R141 WeakPolarHBondContact O-CA 3.3Å; S137-R141 WeakPolarHBondContact O-CB 3.32Å; S137-R141 PolarHBondContact O-N 2.97Å; S137-L160 WeakPolarHBondContact OG-CD1 3.44Å
138	H	87.8	Confident	89.8	Confident	83 Å²	83	56 Å²	56	38%	0.384	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-33.3	177.6	-71.8	161.5	0	0	0	113.6	F134 F135 F136 P142 C210	F134-H138 VanDerWaalsContact O-CG 3.26Å; F134-H138 PolarHBondContact O-N 3.41Å; F134-H138 VanDerWaalsContact O-N 3.07Å; F134-H138 PolarHBondContact O-ND1 3.33Å; F135-H138 PolarHBondContact O-N 3.26Å; F136-H138 VanDerWaalsContact C-N 3.31Å; F136-H138 PolarHBondContact O-N 2.87Å; H138-P142 WeakPolarHBondContact O-CD 3.48Å; H138-C210 HydrophobicContact CB-CB 3.81Å; H138-C210 VanDerWaalsContact CB-SG 3.51Å; H138-C210 PolarHBondContact ND1-SG 3.3Å
139	V	87.6	Confident	89.9	Confident	27 Å²	27	54.1 Å²	54.1	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-75.3	-47.1	179.2	175.6	0	0	0	0	110.7	F135 F136 S137 P142	F135-V139 PolarHBondContact O-N 3.27Å; F136-V139 PolarHBondContact O-N 3.28Å; F136-V139 VanDerWaalsContact O-N 3.1Å; S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 3.07Å; V139-P142 VanDerWaalsContact O-CD 3.3Å; V139-P142 WeakPolarHBondContact O-CD 3.48Å; V139-P142 VanDerWaalsContact O-CG 3.26Å; V139-P142 WeakPolarHBondContact O-CG 3.4Å
140	K	87.7	Confident	90	Very high	73 Å²	73	58.9 Å²	58.9	32%	0.317	31%	0.313	S	S	.	.	H	α-helix	trans	-87.5	-22.7	-173.1	-69.6	-66.8	-171.1	170.3	0	115.1	F136 D143 V144 L160	F136-K140 HydrophobicContact CD2-CG 3.98Å; F136-K140 HydrophobicContact CE1-CG 4.47Å; F136-K140 HydrophobicContact CE2-CB 4.37Å; F136-K140 HydrophobicContact CE2-CD 4.47Å; F136-K140 HydrophobicContact CE2-CG 3.5Å; F136-K140 VanDerWaalsContact CE2-CG 3.5Å; F136-K140 HydrophobicContact CZ-CB 4.22Å; F136-K140 HydrophobicContact CZ-CG 3.77Å; F136-K140 PolarHBondContact O-N 3.43Å; K140-D143 PolarHBondContact O-N 3.19Å; K140-D143 VanDerWaalsContact O-N 3.15Å; K140-V144 WeakPolarHBondContact O-CG2 3.48Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-L160 HydrophobicContact CB-CD2 3.57Å
141	R	89.1	Confident	90	Very high	89 Å²	89	60 Å²	60	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-53.2	-45.9	177.9	-177.5	178.5	-175.1	-68.7	-14.3	114.2	S137 D143 Q145 V156 L160	S137-R141 WeakPolarHBondContact O-CA 3.3Å; S137-R141 WeakPolarHBondContact O-CB 3.32Å; S137-R141 PolarHBondContact O-N 2.97Å; R141-D143 VanDerWaalsContact C-N 3.32Å; R141-Q145 VanDerWaalsContact O-CB 3.27Å; R141-Q145 WeakPolarHBondContact O-CB 3.29Å; R141-Q145 PolarHBondContact O-N 3Å; R141-V156 HydrophobicContact CG-CG1 3.96Å; R141-L160 HydrophobicContact CB-CD1 3.8Å; R141-L160 HydrophobicContact CG-CD1 4.25Å
142	P	89	Confident	90	Very high	63 Å²	63	64.6 Å²	64.6	41%	0.409	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-42	176.6	22.6	-33.5	0	0	0	112.1	H138 V139 Q145 Q146	H138-P142 WeakPolarHBondContact O-CD 3.48Å; V139-P142 VanDerWaalsContact O-CD 3.3Å; V139-P142 WeakPolarHBondContact O-CD 3.48Å; V139-P142 VanDerWaalsContact O-CG 3.26Å; V139-P142 WeakPolarHBondContact O-CG 3.4Å; P142-Q145 PolarHBondContact O-N 3.22Å; P142-Q146 WeakPolarHBondContact O-CB 3.49Å; P142-Q146 PolarHBondContact O-N 3.36Å
143	D	88.8	Confident	89.9	Confident	78 Å²	78	68.8 Å²	68.8	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-47.4	-179.7	-50.7	-21.4	0	0	0	111.1	K140 R141 Q145 Q146 G147	K140-D143 PolarHBondContact O-N 3.19Å; K140-D143 VanDerWaalsContact O-N 3.15Å; R141-D143 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 3.12Å; D143-Q146 PolarHBondContact O-N 3.42Å; D143-G147 PolarHBondContact O-N 3.46Å; D143-G147 VanDerWaalsContact O-N 3.09Å
144	V	89.9	Confident	90	Very high	14 Å²	14	68.4 Å²	68.4	9%	0.085	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-40.1	177.8	178.5	0	0	0	0	111.4	K140 Q146 G147 H148 W151 V156 E159 L160 M163	K140-V144 WeakPolarHBondContact O-CG2 3.48Å; K140-V144 PolarHBondContact O-N 3.33Å; V144-Q146 VanDerWaalsContact C-N 3.28Å; V144-Q146 PolarHBondContact O-N 2.89Å; V144-G147 PolarHBondContact O-N 3.32Å; V144-H148 PolarHBondContact O-N 3.44Å; V144-W151 HydrophobicContact CG1-CE3 4.4Å; V144-W151 HydrophobicContact CG1-CZ3 4.28Å; V144-V156 HydrophobicContact CB-CG1 4.22Å; V144-V156 HydrophobicContact CG1-CG1 3.94Å; V144-E159 HydrophobicContact CG1-CB 4.18Å; V144-E159 HydrophobicContact CG1-CG 3.95Å; V144-L160 HydrophobicContact CG2-CD2 3.92Å; V144-M163 HydrophobicContact CG2-SD 3.87Å
145	Q	88.8	Confident	90	Very high	45 Å²	45	69 Å²	69	21%	0.21	37%	0.367	C	S	.	.	H	α-helix	trans	-68.7	-29.3	177.8	-170	75.7	71.4	0	0	112	R141 P142 D143 H148 P149 W151	R141-Q145 VanDerWaalsContact O-CB 3.27Å; R141-Q145 WeakPolarHBondContact O-CB 3.29Å; R141-Q145 PolarHBondContact O-N 3Å; P142-Q145 PolarHBondContact O-N 3.22Å; D143-Q145 PolarHBondContact O-N 3.12Å; Q145-H148 PolarHBondContact NE2-O 2.86Å; Q145-H148 CarbonylContact O-C 3.57Å; Q145-P149 VanDerWaalsContact O-CA 3.23Å; Q145-P149 WeakPolarHBondContact O-CA 3.24Å; Q145-P149 VanDerWaalsContact O-N 3.09Å; Q145-W151 PolarHBondContact NE2-O 2.9Å; Q145-W151 VanDerWaalsContact NE2-O 3.08Å
146	Q	90.6	Very high	90.2	Very high	162 Å²	162	69 Å²	69	76%	0.757	37%	0.367	S	S	*	.	H	α-helix	trans	-75.8	-35.3	178.4	-160.5	171.9	14.7	0	0	111.7	P142 D143 V144	P142-Q146 WeakPolarHBondContact O-CB 3.49Å; P142-Q146 PolarHBondContact O-N 3.36Å; D143-Q146 PolarHBondContact O-N 3.42Å; V144-Q146 VanDerWaalsContact C-N 3.28Å; V144-Q146 PolarHBondContact O-N 2.89Å
147	G	90.9	Very high	90.4	Very high	54 Å²	54	71.7 Å²	71.7	56%	0.557	39%	0.389	S	S	*	.	H	α-helix	trans	-71	-29	170.7	0	0	0	0	0	113.6	D143 V144	D143-G147 PolarHBondContact O-N 3.46Å; D143-G147 VanDerWaalsContact O-N 3.09Å; V144-G147 PolarHBondContact O-N 3.32Å
148	H	88.5	Confident	90.6	Very high	66 Å²	66	77.9 Å²	77.9	31%	0.306	42%	0.416	S	S	.	.			trans	-132.8	72.3	-179.9	-59.9	-73.7	0	0	0	111.8	V144 Q145 E150 W151	V144-H148 PolarHBondContact O-N 3.44Å; Q145-H148 PolarHBondContact NE2-O 2.86Å; Q145-H148 CarbonylContact O-C 3.57Å; H148-E150 IonicContact ND1-OE1 2.95Å; H148-E150 PolarHBondContact O-N 3.39Å; H148-W151 HydrophobicContact CB-CB 3.99Å; H148-W151 HydrophobicContact CB-CD2 3.34Å; H148-W151 HydrophobicContact CB-CE3 3.64Å; H148-W151 HydrophobicContact CB-CG 3.52Å; H148-W151 HydrophobicContact CB-CZ2 4.28Å; H148-W151 HydrophobicContact CB-CZ3 4.22Å; H148-W151 AromaticContact CD2-CE3 3.84Å; H148-W151 AromaticContact CD2-CH2 3.46Å; H148-W151 VanDerWaalsContact CD2-CH2 3.46Å; H148-W151 WeakPolarHBondContact CD2-CH2 3.34Å; H148-W151 AromaticContact CD2-CZ2 3.78Å; H148-W151 AromaticContact CD2-CZ3 3.48Å; H148-W151 VanDerWaalsContact CD2-CZ3 3.48Å; H148-W151 WeakPolarHBondContact CD2-CZ3 3.37Å; H148-W151 AromaticContact CE1-CH2 3.82Å; H148-W151 AromaticContact CE1-CZ2 3.57Å; H148-W151 AromaticContact CG-CD2 3.59Å; H148-W151 AromaticContact CG-CE2 3.47Å; H148-W151 VanDerWaalsContact CG-CE2 3.47Å; H148-W151 AromaticContact CG-CE3 3.73Å; H148-W151 AromaticContact CG-CH2 3.73Å; H148-W151 AromaticContact CG-CZ2 3.57Å; H148-W151 AromaticContact CG-CZ3 3.8Å; H148-W151 AromaticContact CG-NE1 3.99Å; H148-W151 AromaticContact ND1-CE2 3.52Å; H148-W151 AromaticContact ND1-CH2 3.94Å; H148-W151 AromaticContact ND1-CZ2 3.43Å; H148-W151 WeakPolarHBondContact ND1-CZ2 3.33Å; H148-W151 AromaticContact ND1-NE1 3.8Å; H148-W151 AromaticContact NE2-CH2 3.53Å; H148-W151 AromaticContact NE2-CZ2 3.79Å; H148-W151 PolarHBondContact O-N 3.47Å; H148-W151 VanDerWaalsContact O-N 3.14Å
149	P	89.5	Confident	90.9	Very high	98 Å²	98	75.7 Å²	75.7	64%	0.636	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.4	-178	26.1	-34.3	0	0	0	113.1	Q145	Q145-P149 VanDerWaalsContact O-CA 3.23Å; Q145-P149 WeakPolarHBondContact O-CA 3.24Å; Q145-P149 VanDerWaalsContact O-N 3.09Å
150	E	91.4	Very high	91.2	Very high	126 Å²	126	74.5 Å²	74.5	59%	0.589	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.1	177.5	78.2	-68.8	170.1	0	0	113.7	H148 K152	H148-E150 IonicContact ND1-OE1 2.95Å; H148-E150 PolarHBondContact O-N 3.39Å; E150-K152 PolarHBondContact O-N 3.42Å
151	W	91	Very high	91.5	Very high	59 Å²	59	72.2 Å²	72.2	22%	0.223	40%	0.395	C	S	.	.			trans	-70.9	131.8	-177.6	-76.1	9.7	0	0	0	112	V144 Q145 H148 Q155 V156 E159	V144-W151 HydrophobicContact CG1-CE3 4.4Å; V144-W151 HydrophobicContact CG1-CZ3 4.28Å; Q145-W151 PolarHBondContact NE2-O 2.9Å; Q145-W151 VanDerWaalsContact NE2-O 3.08Å; H148-W151 HydrophobicContact CB-CB 3.99Å; H148-W151 HydrophobicContact CB-CD2 3.34Å; H148-W151 HydrophobicContact CB-CE3 3.64Å; H148-W151 HydrophobicContact CB-CG 3.52Å; H148-W151 HydrophobicContact CB-CZ2 4.28Å; H148-W151 HydrophobicContact CB-CZ3 4.22Å; H148-W151 AromaticContact CD2-CE3 3.84Å; H148-W151 AromaticContact CD2-CH2 3.46Å; H148-W151 VanDerWaalsContact CD2-CH2 3.46Å; H148-W151 WeakPolarHBondContact CD2-CH2 3.34Å; H148-W151 AromaticContact CD2-CZ2 3.78Å; H148-W151 AromaticContact CD2-CZ3 3.48Å; H148-W151 VanDerWaalsContact CD2-CZ3 3.48Å; H148-W151 WeakPolarHBondContact CD2-CZ3 3.37Å; H148-W151 AromaticContact CE1-CH2 3.82Å; H148-W151 AromaticContact CE1-CZ2 3.57Å; H148-W151 AromaticContact CG-CD2 3.59Å; H148-W151 AromaticContact CG-CE2 3.47Å; H148-W151 VanDerWaalsContact CG-CE2 3.47Å; H148-W151 AromaticContact CG-CE3 3.73Å; H148-W151 AromaticContact CG-CH2 3.73Å; H148-W151 AromaticContact CG-CZ2 3.57Å; H148-W151 AromaticContact CG-CZ3 3.8Å; H148-W151 AromaticContact CG-NE1 3.99Å; H148-W151 AromaticContact ND1-CE2 3.52Å; H148-W151 AromaticContact ND1-CH2 3.94Å; H148-W151 AromaticContact ND1-CZ2 3.43Å; H148-W151 WeakPolarHBondContact ND1-CZ2 3.33Å; H148-W151 AromaticContact ND1-NE1 3.8Å; H148-W151 AromaticContact NE2-CH2 3.53Å; H148-W151 AromaticContact NE2-CZ2 3.79Å; H148-W151 PolarHBondContact O-N 3.47Å; H148-W151 VanDerWaalsContact O-N 3.14Å; W151-Q155 HydrophobicContact CB-CB 4.06Å; W151-Q155 HydrophobicContact CD2-CB 4.3Å; W151-Q155 HydrophobicContact CE3-CB 4.46Å; W151-Q155 HydrophobicContact CG-CB 4.13Å; W151-V156 HydrophobicContact CB-CG2 3.84Å; W151-V156 HydrophobicContact CE3-CG2 4.43Å; W151-E159 HydrophobicContact CZ3-CB 3.97Å; W151-E159 HydrophobicContact CZ3-CG 3.98Å
152	K	92.3	Very high	91.8	Very high	164 Å²	164	73.5 Å²	73.5	71%	0.713	40%	0.4	S	S	*	.			trans	-68.5	155.9	172.3	-66.6	-178.1	-177.9	174.3	0	109.7	E150 G154 Q155 V156	E150-K152 PolarHBondContact O-N 3.42Å; K152-G154 PolarHBondContact O-N 2.9Å; K152-Q155 PolarHBondContact O-N 3.35Å; K152-V156 PolarHBondContact O-N 2.78Å; K152-V156 VanDerWaalsContact O-N 3.13Å
153	V	90.4	Very high	92	Very high	94 Å²	94	72.9 Å²	72.9	57%	0.57	39%	0.392	S	S	*	.	H	α-helix	trans	-50.1	-33.5	178	-174.3	0	0	0	0	112.7	A157	V153-A157 WeakPolarHBondContact O-CB 3.43Å; V153-A157 PolarHBondContact O-N 3.01Å
154	G	93.5	Very high	92.2	Very high	47 Å²	47	71 Å²	71	49%	0.485	38%	0.379	S	S	.	.	H	α-helix	trans	-65.4	-41.9	175.7	0	0	0	0	0	114	K152 A157 Q158	K152-G154 PolarHBondContact O-N 2.9Å; G154-A157 PolarHBondContact O-N 2.88Å; G154-Q158 WeakPolarHBondContact O-CG 3.34Å; G154-Q158 PolarHBondContact O-N 2.73Å; G154-Q158 VanDerWaalsContact O-N 3.14Å
155	Q	93.3	Very high	92.4	Very high	90 Å²	90	79.1 Å²	79.1	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-69.6	-44	178.1	-68.8	168.7	-66.5	0	0	110.6	W151 K152 A157 Q158 E159	W151-Q155 HydrophobicContact CB-CB 4.06Å; W151-Q155 HydrophobicContact CD2-CB 4.3Å; W151-Q155 HydrophobicContact CE3-CB 4.46Å; W151-Q155 HydrophobicContact CG-CB 4.13Å; K152-Q155 PolarHBondContact O-N 3.35Å; Q155-A157 VanDerWaalsContact C-N 3.26Å; Q155-A157 PolarHBondContact O-N 3.1Å; Q155-Q158 WeakPolarHBondContact O-CB 3.4Å; Q155-Q158 PolarHBondContact O-N 2.9Å; Q155-Q158 VanDerWaalsContact O-N 3.07Å; Q155-E159 PolarHBondContact O-N 3.16Å
156	V	93.4	Very high	92.6	Very high	0 Å²	0	82.8 Å²	82.8	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-59.1	-39.1	174.4	178.5	0	0	0	0	111.4	R141 V144 W151 K152 E159 L160	R141-V156 HydrophobicContact CG-CG1 3.96Å; V144-V156 HydrophobicContact CB-CG1 4.22Å; V144-V156 HydrophobicContact CG1-CG1 3.94Å; W151-V156 HydrophobicContact CB-CG2 3.84Å; W151-V156 HydrophobicContact CE3-CG2 4.43Å; K152-V156 PolarHBondContact O-N 2.78Å; K152-V156 VanDerWaalsContact O-N 3.13Å; V156-E159 PolarHBondContact O-N 2.78Å; V156-L160 HydrophobicContact CG1-CD1 4.04Å; V156-L160 HydrophobicContact CG1-CG 4.45Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 3.31Å; V156-L160 PolarHBondContact O-N 2.83Å
157	A	93.7	Very high	92.6	Very high	55 Å²	55	76.6 Å²	76.6	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-34.7	176.7	0	0	0	0	0	113.1	V153 G154 Q155 G161	V153-A157 WeakPolarHBondContact O-CB 3.43Å; V153-A157 PolarHBondContact O-N 3.01Å; G154-A157 PolarHBondContact O-N 2.88Å; Q155-A157 VanDerWaalsContact C-N 3.26Å; Q155-A157 PolarHBondContact O-N 3.1Å; A157-G161 PolarHBondContact O-N 2.98Å; A157-G161 VanDerWaalsContact O-N 3.07Å
158	Q	94.9	Very high	92.7	Very high	149 Å²	149	79.6 Å²	79.6	70%	0.696	41%	0.406	S	S	*	.	H	α-helix	trans	-65.8	-44.9	174	-71.4	174.8	10.4	0	0	110.9	G154 Q155 G161 R162	G154-Q158 WeakPolarHBondContact O-CG 3.34Å; G154-Q158 PolarHBondContact O-N 2.73Å; G154-Q158 VanDerWaalsContact O-N 3.14Å; Q155-Q158 WeakPolarHBondContact O-CB 3.4Å; Q155-Q158 PolarHBondContact O-N 2.9Å; Q155-Q158 VanDerWaalsContact O-N 3.07Å; Q158-G161 WeakPolarHBondContact O-CA 3.24Å; Q158-G161 PolarHBondContact O-N 3.37Å; Q158-G161 VanDerWaalsContact O-N 3.11Å; Q158-R162 PolarHBondContact O-N 2.92Å
159	E	93.7	Very high	92.8	Very high	37 Å²	37	84.2 Å²	84.2	17%	0.173	43%	0.428	C	S	.	.	H	α-helix	trans	-60.4	-48.1	177.8	-172.1	63.3	-167.4	0	0	111.8	V144 W151 Q155 V156 G161 R162 M163	V144-E159 HydrophobicContact CG1-CB 4.18Å; V144-E159 HydrophobicContact CG1-CG 3.95Å; W151-E159 HydrophobicContact CZ3-CB 3.97Å; W151-E159 HydrophobicContact CZ3-CG 3.98Å; Q155-E159 PolarHBondContact O-N 3.16Å; V156-E159 PolarHBondContact O-N 2.78Å; E159-G161 PolarHBondContact O-N 3.34Å; E159-R162 WeakPolarHBondContact O-CA 3.41Å; E159-R162 WeakPolarHBondContact O-CB 3.48Å; E159-R162 PolarHBondContact O-N 3.09Å; E159-R162 IonicContact OE1-CZ 3.24Å; E159-R162 IonicContact OE1-NH1 3.01Å; E159-R162 PolarHBondContact OE1-NH1 3.15Å; E159-R162 IonicContact OE1-NH2 3.72Å; E159-R162 PolarHBondContact OE1-NH2 2.88Å; E159-R162 IonicContact OE2-CZ 2.63Å; E159-R162 IonicContact OE2-NH1 2.88Å; E159-R162 PolarHBondContact OE2-NH1 3.14Å; E159-R162 IonicContact OE2-NH2 4Å; E159-M163 HydrophobicContact CG-SD 4.41Å; E159-M163 WeakPolarHBondContact O-CG 3.33Å; E159-M163 PolarHBondContact O-N 2.77Å
160	L	94.1	Very high	92.8	Very high	2 Å²	2	87.3 Å²	87.3	1%	0.01	43%	0.433	C	S	.	.	H	α-helix	trans	-60	-34.2	175.6	-68.3	170	0	0	0	112.2	F136 S137 K140 R141 V144 V156 W164	F136-L160 HydrophobicContact CE1-CD2 4.22Å; F136-L160 WeakPolarHBondContact CE1-O 3.21Å; S137-L160 WeakPolarHBondContact OG-CD1 3.44Å; K140-L160 HydrophobicContact CB-CD2 3.57Å; R141-L160 HydrophobicContact CB-CD1 3.8Å; R141-L160 HydrophobicContact CG-CD1 4.25Å; V144-L160 HydrophobicContact CG2-CD2 3.92Å; V156-L160 HydrophobicContact CG1-CD1 4.04Å; V156-L160 HydrophobicContact CG1-CG 4.45Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 3.31Å; V156-L160 PolarHBondContact O-N 2.83Å; L160-W164 WeakPolarHBondContact O-CB 3.29Å; L160-W164 PolarHBondContact O-N 3.29Å
161	G	94.9	Very high	92.6	Very high	24 Å²	24	86.5 Å²	86.5	25%	0.247	43%	0.43	C	S	.	.	H	α-helix	trans	-66.6	-35.4	174.1	0	0	0	0	0	113.1	A157 Q158 E159 K165	A157-G161 PolarHBondContact O-N 2.98Å; A157-G161 VanDerWaalsContact O-N 3.07Å; Q158-G161 WeakPolarHBondContact O-CA 3.24Å; Q158-G161 PolarHBondContact O-N 3.37Å; Q158-G161 VanDerWaalsContact O-N 3.11Å; E159-G161 PolarHBondContact O-N 3.34Å; G161-K165 WeakPolarHBondContact O-CG 3.45Å
162	R	95.1	Very high	92.5	Very high	116 Å²	116	87 Å²	87	44%	0.438	43%	0.434	S	S	.	.	H	α-helix	trans	-68.2	-53.1	173.1	-165.5	-169.7	79.6	-127.9	-7.2	110.4	Q158 E159 W164 K165 E166	Q158-R162 PolarHBondContact O-N 2.92Å; E159-R162 WeakPolarHBondContact O-CA 3.41Å; E159-R162 WeakPolarHBondContact O-CB 3.48Å; E159-R162 PolarHBondContact O-N 3.09Å; E159-R162 IonicContact OE1-CZ 3.24Å; E159-R162 IonicContact OE1-NH1 3.01Å; E159-R162 PolarHBondContact OE1-NH1 3.15Å; E159-R162 IonicContact OE1-NH2 3.72Å; E159-R162 PolarHBondContact OE1-NH2 2.88Å; E159-R162 IonicContact OE2-CZ 2.63Å; E159-R162 IonicContact OE2-NH1 2.88Å; E159-R162 PolarHBondContact OE2-NH1 3.14Å; E159-R162 IonicContact OE2-NH2 4Å; R162-W164 VanDerWaalsContact C-N 3.26Å; R162-W164 PolarHBondContact O-N 2.94Å; R162-K165 WeakPolarHBondContact O-CB 3.49Å; R162-K165 PolarHBondContact O-N 3.33Å; R162-E166 VanDerWaalsContact CD-OE1 3.31Å; R162-E166 WeakPolarHBondContact CD-OE1 3.23Å; R162-E166 VanDerWaalsContact CG-OE1 3.31Å; R162-E166 WeakPolarHBondContact CG-OE1 3.36Å; R162-E166 IonicContact NE-OE1 2.86Å; R162-E166 PolarHBondContact NE-OE1 3.45Å; R162-E166 IonicContact NE-OE2 2.72Å; R162-E166 PolarHBondContact O-N 3.27Å; R162-E166 VanDerWaalsContact O-N 3.15Å
163	M	92.8	Very high	92.5	Very high	51 Å²	51	87.2 Å²	87.2	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-56.3	-41	179.6	-62.4	178.2	90.8	0	0	111.8	F136 V144 E159 K165 E166 L167	F136-M163 HydrophobicContact CE1-CB 4.19Å; F136-M163 HydrophobicContact CZ-CB 3.8Å; V144-M163 HydrophobicContact CG2-SD 3.87Å; E159-M163 HydrophobicContact CG-SD 4.41Å; E159-M163 WeakPolarHBondContact O-CG 3.33Å; E159-M163 PolarHBondContact O-N 2.77Å; M163-K165 PolarHBondContact O-N 2.72Å; M163-E166 CarbonylContact O-C 3.58Å; M163-E166 PolarHBondContact O-N 2.79Å; M163-E166 VanDerWaalsContact O-N 3.11Å; M163-L167 WeakPolarHBondContact O-CD1 3.36Å; M163-L167 PolarHBondContact O-N 2.71Å
164	W	93.7	Very high	92.5	Very high	38 Å²	38	87.8 Å²	87.8	14%	0.144	43%	0.426	C	S	.	.	H	α-helix	trans	-61.9	-29.3	177.6	178.6	-105.7	0	0	0	114.1	A132 F133 F136 L160 R162 L167 K172 Y175	A132-W164 HydrophobicContact CB-CH2 3.67Å; A132-W164 HydrophobicContact CB-CZ2 3.96Å; F133-W164 HydrophobicContact CB-CD2 4.35Å; F133-W164 HydrophobicContact CB-CZ2 4.33Å; F133-W164 HydrophobicContact CD2-CB 3.73Å; F133-W164 AromaticContact CD2-CD1 3.81Å; F133-W164 AromaticContact CD2-CD2 3.83Å; F133-W164 HydrophobicContact CD2-CD2 3.83Å; F133-W164 HydrophobicContact CD2-CE3 4.43Å; F133-W164 AromaticContact CD2-CG 3.48Å; F133-W164 HydrophobicContact CD2-CG 3.48Å; F133-W164 VanDerWaalsContact CD2-CG 3.48Å; F133-W164 HydrophobicContact CE2-CB 3.84Å; F133-W164 HydrophobicContact CE2-CG 4.1Å; F136-W164 HydrophobicContact CB-CE3 3.61Å; F136-W164 HydrophobicContact CB-CZ3 3.55Å; F136-W164 HydrophobicContact CD1-CB 4.15Å; F136-W164 HydrophobicContact CD1-CD2 4.43Å; F136-W164 AromaticContact CD1-CE3 3.71Å; F136-W164 HydrophobicContact CD1-CE3 3.71Å; F136-W164 HydrophobicContact CD2-CE3 4.06Å; F136-W164 HydrophobicContact CD2-CZ3 4.34Å; F136-W164 HydrophobicContact CE1-CB 4.03Å; F136-W164 HydrophobicContact CE1-CE3 4.4Å; F136-W164 AromaticContact CG-CE3 3.51Å; F136-W164 HydrophobicContact CG-CE3 3.51Å; F136-W164 AromaticContact CG-CZ3 3.91Å; F136-W164 HydrophobicContact CG-CZ3 3.91Å; L160-W164 WeakPolarHBondContact O-CB 3.29Å; L160-W164 PolarHBondContact O-N 3.29Å; R162-W164 VanDerWaalsContact C-N 3.26Å; R162-W164 PolarHBondContact O-N 2.94Å; W164-L167 HydrophobicContact CE3-CD2 4.27Å; W164-L167 HydrophobicContact CZ3-CD2 4.38Å; W164-K172 HydrophobicContact CH2-CB 4.43Å; W164-K172 HydrophobicContact CH2-CD 4.44Å; W164-K172 HydrophobicContact CH2-CG 3.48Å; W164-K172 VanDerWaalsContact CH2-CG 3.48Å; W164-K172 HydrophobicContact CZ2-CD 4.07Å; W164-K172 HydrophobicContact CZ2-CG 3.57Å; W164-K172 HydrophobicContact CZ3-CG 4.14Å; W164-Y175 HydrophobicContact CH2-CD2 4.44Å; W164-Y175 AromaticContact CZ3-CD2 3.81Å; W164-Y175 HydrophobicContact CZ3-CD2 3.81Å; W164-Y175 HydrophobicContact CZ3-CG 4.16Å
165	K	93.8	Very high	92.4	Very high	184 Å²	184	87 Å²	87	80%	0.8	41%	0.409	S	S	*	.	H	α-helix	trans	-80.7	-28.1	175.7	-68.6	177.5	180	-177.8	0	112.4	G161 R162 M163	G161-K165 WeakPolarHBondContact O-CG 3.45Å; R162-K165 WeakPolarHBondContact O-CB 3.49Å; R162-K165 PolarHBondContact O-N 3.33Å; M163-K165 PolarHBondContact O-N 2.72Å
166	E	93.5	Very high	92.3	Very high	123 Å²	123	86.8 Å²	86.8	58%	0.575	41%	0.408	S	S	*	.	H	α-helix	trans	-83.2	-15.4	177	-67.7	167.6	179.3	0	0	112.2	R162 M163	R162-E166 VanDerWaalsContact CD-OE1 3.31Å; R162-E166 WeakPolarHBondContact CD-OE1 3.23Å; R162-E166 VanDerWaalsContact CG-OE1 3.31Å; R162-E166 WeakPolarHBondContact CG-OE1 3.36Å; R162-E166 IonicContact NE-OE1 2.86Å; R162-E166 PolarHBondContact NE-OE1 3.45Å; R162-E166 IonicContact NE-OE2 2.72Å; R162-E166 PolarHBondContact O-N 3.27Å; R162-E166 VanDerWaalsContact O-N 3.15Å; M163-E166 CarbonylContact O-C 3.58Å; M163-E166 PolarHBondContact O-N 2.79Å; M163-E166 VanDerWaalsContact O-N 3.11Å
167	L	90	Very high	92.2	Very high	32 Å²	32	90.4 Å²	90.4	17%	0.168	43%	0.427	C	S	.	.	S	Bend	trans	-63.7	137.3	177.3	-111.1	77.9	0	0	0	111.4	F136 M163 W164 Q171 Y175	F136-L167 HydrophobicContact CD2-CD1 4.39Å; F136-L167 HydrophobicContact CD2-CD2 3.71Å; F136-L167 HydrophobicContact CE2-CD1 3.45Å; F136-L167 VanDerWaalsContact CE2-CD1 3.45Å; F136-L167 HydrophobicContact CE2-CD2 3.58Å; F136-L167 HydrophobicContact CE2-CG 4.18Å; F136-L167 HydrophobicContact CZ-CD1 3.67Å; F136-L167 HydrophobicContact CZ-CD2 4.45Å; M163-L167 WeakPolarHBondContact O-CD1 3.36Å; M163-L167 PolarHBondContact O-N 2.71Å; W164-L167 HydrophobicContact CE3-CD2 4.27Å; W164-L167 HydrophobicContact CZ3-CD2 4.38Å; L167-Q171 HydrophobicContact CD2-CB 4.03Å; L167-Q171 HydrophobicContact CG-CB 4.38Å; L167-Y175 HydrophobicContact CD2-CD2 4.33Å; L167-Y175 HydrophobicContact CD2-CE2 3.92Å
168	D	92.2	Very high	91.8	Very high	116 Å²	116	88.7 Å²	88.7	62%	0.62	41%	0.41	S	S	*	.			trans	-67.3	151.9	176.3	-127.5	2.6	0	0	0	111.5	E170 Q171 K172	D168-E170 PolarHBondContact O-N 3.44Å; D168-Q171 PolarHBondContact O-N 2.98Å; D168-K172 WeakPolarHBondContact O-CB 3.45Å; D168-K172 PolarHBondContact O-N 3.2Å
169	E	91.1	Very high	91.6	Very high	164 Å²	164	82.3 Å²	82.3	77%	0.766	38%	0.383	S	S	*	.	H	α-helix	trans	-60.4	-32.8	-176	-67.6	-169.7	171.2	0	0	112.4	K172 R173	E169-K172 PolarHBondContact O-N 2.88Å; E169-R173 VanDerWaalsContact O-CB 3.24Å; E169-R173 WeakPolarHBondContact O-CB 3.49Å; E169-R173 PolarHBondContact O-N 3.43Å
170	E	89.7	Confident	91.5	Very high	162 Å²	162	84.9 Å²	84.9	76%	0.757	40%	0.401	S	S	*	.	H	α-helix	trans	-64.9	-47	177.2	-63.8	-169.7	166.3	0	0	112.3	D168 K172 R173 E174	D168-E170 PolarHBondContact O-N 3.44Å; E170-K172 VanDerWaalsContact C-N 3.32Å; E170-K172 PolarHBondContact O-N 2.93Å; E170-R173 WeakPolarHBondContact O-CB 3.28Å; E170-R173 PolarHBondContact O-N 2.99Å; E170-E174 PolarHBondContact O-N 3.5Å
171	Q	86.5	Confident	91.4	Very high	110 Å²	110	92 Å²	92	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-40.4	176.8	-65.9	-175.2	-25.6	0	0	110.6	L167 D168 R173 E174 Y175	L167-Q171 HydrophobicContact CD2-CB 4.03Å; L167-Q171 HydrophobicContact CG-CB 4.38Å; D168-Q171 PolarHBondContact O-N 2.98Å; Q171-R173 VanDerWaalsContact C-N 3.31Å; Q171-R173 PolarHBondContact O-N 3.05Å; Q171-E174 PolarHBondContact O-N 2.87Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.41Å
172	K	90.5	Very high	91.1	Very high	70 Å²	70	91.1 Å²	91.1	30%	0.304	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-41.2	176.1	-168.3	-179.8	175.2	-172.7	0	111.7	W164 D168 E169 E170 E174 Y175 E176	W164-K172 HydrophobicContact CH2-CB 4.43Å; W164-K172 HydrophobicContact CH2-CD 4.44Å; W164-K172 HydrophobicContact CH2-CG 3.48Å; W164-K172 VanDerWaalsContact CH2-CG 3.48Å; W164-K172 HydrophobicContact CZ2-CD 4.07Å; W164-K172 HydrophobicContact CZ2-CG 3.57Å; W164-K172 HydrophobicContact CZ3-CG 4.14Å; D168-K172 WeakPolarHBondContact O-CB 3.45Å; D168-K172 PolarHBondContact O-N 3.2Å; E169-K172 PolarHBondContact O-N 2.88Å; E170-K172 VanDerWaalsContact C-N 3.32Å; E170-K172 PolarHBondContact O-N 2.93Å; K172-E174 VanDerWaalsContact C-N 3.3Å; K172-E174 PolarHBondContact O-N 3.24Å; K172-Y175 PolarHBondContact O-N 2.89Å; K172-Y175 VanDerWaalsContact O-N 3.11Å; K172-E176 WeakPolarHBondContact CE-OE1 3.48Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 3.29Å
173	R	92.6	Very high	90.8	Very high	168 Å²	168	91.2 Å²	91.2	63%	0.634	43%	0.425	S	S	*	.	H	α-helix	trans	-60.8	-38	179.3	-173.2	173.6	-176.7	-125.6	-0.9	112.2	E169 E170 Q171 Y175 E176 D177	E169-R173 VanDerWaalsContact O-CB 3.24Å; E169-R173 WeakPolarHBondContact O-CB 3.49Å; E169-R173 PolarHBondContact O-N 3.43Å; E170-R173 WeakPolarHBondContact O-CB 3.28Å; E170-R173 PolarHBondContact O-N 2.99Å; Q171-R173 VanDerWaalsContact C-N 3.31Å; Q171-R173 PolarHBondContact O-N 3.05Å; R173-Y175 VanDerWaalsContact C-N 3.3Å; R173-Y175 PolarHBondContact O-N 3.4Å; R173-E176 PolarHBondContact O-N 2.96Å; R173-E176 VanDerWaalsContact O-N 3.12Å; R173-D177 PolarHBondContact O-N 3.17Å
174	E	89.9	Confident	90.8	Very high	106 Å²	106	93.1 Å²	93.1	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-57.5	-45.3	174.3	-161.3	-169	161.2	0	0	111.3	E170 Q171 K172 D177 M178	E170-E174 PolarHBondContact O-N 3.5Å; Q171-E174 PolarHBondContact O-N 2.87Å; K172-E174 VanDerWaalsContact C-N 3.3Å; K172-E174 PolarHBondContact O-N 3.24Å; E174-D177 PolarHBondContact O-N 3.04Å; E174-M178 HydrophobicContact CB-CE 4.39Å; E174-M178 HydrophobicContact CG-CE 3.86Å; E174-M178 WeakPolarHBondContact O-CE 3.37Å; E174-M178 WeakPolarHBondContact O-CG 2.97Å; E174-M178 PolarHBondContact O-N 3.07Å
175	Y	90.2	Very high	90.5	Very high	29 Å²	29	93.9 Å²	93.9	11%	0.114	44%	0.442	C	S	.	.	H	α-helix	trans	-69.5	-31.5	176.4	-62.5	-70.9	0	0	0	113.1	A132 F135 F136 W164 L167 Q171 K172 R173 M178 A179	A132-Y175 WeakPolarHBondContact CA-O 3.26Å; A132-Y175 WeakPolarHBondContact CB-O 3.42Å; F135-Y175 HydrophobicContact CB-CD1 3.85Å; F136-Y175 HydrophobicContact CB-CD1 4.14Å; F136-Y175 HydrophobicContact CB-CD2 4.25Å; F136-Y175 HydrophobicContact CB-CE1 4.16Å; F136-Y175 HydrophobicContact CB-CE2 4.3Å; F136-Y175 HydrophobicContact CB-CG 4.19Å; F136-Y175 HydrophobicContact CD2-CD2 4.41Å; F136-Y175 AromaticContact CD2-CE2 3.79Å; F136-Y175 HydrophobicContact CD2-CE2 3.79Å; F136-Y175 AromaticContact CD2-CZ 3.88Å; W164-Y175 HydrophobicContact CH2-CD2 4.44Å; W164-Y175 AromaticContact CZ3-CD2 3.81Å; W164-Y175 HydrophobicContact CZ3-CD2 3.81Å; W164-Y175 HydrophobicContact CZ3-CG 4.16Å; L167-Y175 HydrophobicContact CD2-CD2 4.33Å; L167-Y175 HydrophobicContact CD2-CE2 3.92Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.41Å; K172-Y175 PolarHBondContact O-N 2.89Å; K172-Y175 VanDerWaalsContact O-N 3.11Å; R173-Y175 VanDerWaalsContact C-N 3.3Å; R173-Y175 PolarHBondContact O-N 3.4Å; Y175-M178 HydrophobicContact CD1-CE 3.44Å; Y175-M178 VanDerWaalsContact CD1-CE 3.44Å; Y175-M178 HydrophobicContact CD1-SD 3.84Å; Y175-M178 HydrophobicContact CE1-CE 3.84Å; Y175-M178 HydrophobicContact CG-CE 4.1Å; Y175-M178 WeakPolarHBondContact O-CB 3.35Å; Y175-M178 PolarHBondContact O-N 2.93Å; Y175-A179 PolarHBondContact O-N 3.27Å
176	E	92.2	Very high	90.3	Very high	87 Å²	87	88.3 Å²	88.3	41%	0.407	42%	0.417	S	S	.	.	H	α-helix	trans	-66.8	-42.9	173.7	-71	-178.6	178.4	0	0	111.7	A132 K172 R173 M178 A179 V180	A132-E176 HydrophobicContact CB-CB 4.36Å; A132-E176 HydrophobicContact CB-CG 3.68Å; K172-E176 WeakPolarHBondContact CE-OE1 3.48Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 3.29Å; R173-E176 PolarHBondContact O-N 2.96Å; R173-E176 VanDerWaalsContact O-N 3.12Å; E176-M178 VanDerWaalsContact C-N 3.28Å; E176-M178 PolarHBondContact O-N 2.97Å; E176-A179 WeakPolarHBondContact O-CA 3.47Å; E176-A179 WeakPolarHBondContact O-CB 3.38Å; E176-A179 PolarHBondContact O-N 3.49Å; E176-V180 WeakPolarHBondContact O-CG2 3.48Å; E176-V180 PolarHBondContact O-N 3Å
177	D	91.9	Very high	90.2	Very high	76 Å²	76	86.6 Å²	86.6	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-38	175	-77	-14.1	0	0	0	111.7	R173 E174 V180 K181	R173-D177 PolarHBondContact O-N 3.17Å; E174-D177 PolarHBondContact O-N 3.04Å; D177-V180 PolarHBondContact O-N 3.41Å; D177-K181 WeakPolarHBondContact O-CG 3.15Å; D177-K181 PolarHBondContact O-N 3.05Å
178	M	85.4	Confident	90.1	Very high	19 Å²	19	91.5 Å²	91.5	9%	0.094	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-42.7	171.8	-61.6	170.4	-143.5	0	0	112	F135 E174 Y175 E176 V180 K181 D182 L213	F135-M178 HydrophobicContact CB-SD 4.03Å; F135-M178 HydrophobicContact CD1-CB 4.31Å; F135-M178 HydrophobicContact CD1-SD 4.16Å; F135-M178 HydrophobicContact CD2-CB 4.15Å; F135-M178 HydrophobicContact CE2-CB 4.37Å; F135-M178 HydrophobicContact CG-CB 4.15Å; F135-M178 HydrophobicContact CG-SD 4.13Å; E174-M178 HydrophobicContact CB-CE 4.39Å; E174-M178 HydrophobicContact CG-CE 3.86Å; E174-M178 WeakPolarHBondContact O-CE 3.37Å; E174-M178 WeakPolarHBondContact O-CG 2.97Å; E174-M178 PolarHBondContact O-N 3.07Å; Y175-M178 HydrophobicContact CD1-CE 3.44Å; Y175-M178 VanDerWaalsContact CD1-CE 3.44Å; Y175-M178 HydrophobicContact CD1-SD 3.84Å; Y175-M178 HydrophobicContact CE1-CE 3.84Å; Y175-M178 HydrophobicContact CG-CE 4.1Å; Y175-M178 WeakPolarHBondContact O-CB 3.35Å; Y175-M178 PolarHBondContact O-N 2.93Å; E176-M178 VanDerWaalsContact C-N 3.28Å; E176-M178 PolarHBondContact O-N 2.97Å; M178-V180 VanDerWaalsContact C-N 3.3Å; M178-V180 PolarHBondContact O-N 3.33Å; M178-K181 PolarHBondContact O-N 2.96Å; M178-D182 WeakPolarHBondContact O-CB 3.45Å; M178-D182 PolarHBondContact O-N 3.39Å; M178-L213 HydrophobicContact CE-CD1 3.71Å; M178-L213 HydrophobicContact CE-CD2 3.93Å; M178-L213 HydrophobicContact CE-CG 4.45Å; M178-L213 HydrophobicContact CG-CD1 3.8Å; M178-L213 HydrophobicContact SD-CD1 3.19Å; M178-L213 WeakPolarHBondContact SD-CD1 3.48Å; M178-L213 HydrophobicContact SD-CG 4.41Å
179	A	90	Very high	89.9	Confident	15 Å²	15	87.5 Å²	87.5	12%	0.124	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-37.7	178.7	0	0	0	0	0	111.8	A132 F135 Y175 E176 D182 K183	A132-A179 HydrophobicContact CB-CB 4.2Å; F135-A179 HydrophobicContact CD2-CB 4.26Å; F135-A179 HydrophobicContact CE2-CB 4.19Å; Y175-A179 PolarHBondContact O-N 3.27Å; E176-A179 WeakPolarHBondContact O-CA 3.47Å; E176-A179 WeakPolarHBondContact O-CB 3.38Å; E176-A179 PolarHBondContact O-N 3.49Å; A179-D182 PolarHBondContact O-N 3.25Å; A179-K183 WeakPolarHBondContact O-CB 3.45Å; A179-K183 PolarHBondContact O-N 3.18Å
180	V	92.3	Very high	89.7	Confident	90 Å²	90	81.4 Å²	81.4	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-47.7	172.9	173.5	0	0	0	0	110.5	E176 D177 M178 D182 K183 V184	E176-V180 WeakPolarHBondContact O-CG2 3.48Å; E176-V180 PolarHBondContact O-N 3Å; D177-V180 PolarHBondContact O-N 3.41Å; M178-V180 VanDerWaalsContact C-N 3.3Å; M178-V180 PolarHBondContact O-N 3.33Å; V180-D182 VanDerWaalsContact C-N 3.33Å; V180-D182 PolarHBondContact O-N 3.31Å; V180-K183 WeakPolarHBondContact O-CB 3.46Å; V180-K183 PolarHBondContact O-N 3.26Å; V180-V184 WeakPolarHBondContact O-CG2 3.32Å; V180-V184 PolarHBondContact O-N 3.46Å; V180-V184 VanDerWaalsContact O-N 3.1Å
181	K	90	Very high	89.6	Confident	153 Å²	153	81 Å²	81	67%	0.665	37%	0.374	S	S	*	.	H	α-helix	trans	-60.7	-41	176.3	-70.7	170.6	-173.9	168.6	0	112.1	D177 M178 K183 V184 R185	D177-K181 WeakPolarHBondContact O-CG 3.15Å; D177-K181 PolarHBondContact O-N 3.05Å; M178-K181 PolarHBondContact O-N 2.96Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K181-V184 PolarHBondContact O-N 3.19Å; K181-R185 PolarHBondContact O-N 3.37Å
182	D	88.9	Confident	89.6	Confident	5 Å²	5	80 Å²	80	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-68.6	-33.1	178.2	-166.6	67.1	0	0	0	112.7	A129 L130 F135 M178 A179 V180 R185 Y186	A129-D182 WeakPolarHBondContact CA-OD2 3.17Å; L130-D182 PolarHBondContact N-OD2 3.02Å; F135-D182 HydrophobicContact CE2-CB 3.98Å; F135-D182 HydrophobicContact CZ-CB 3.62Å; M178-D182 WeakPolarHBondContact O-CB 3.45Å; M178-D182 PolarHBondContact O-N 3.39Å; A179-D182 PolarHBondContact O-N 3.25Å; V180-D182 VanDerWaalsContact C-N 3.33Å; V180-D182 PolarHBondContact O-N 3.31Å; D182-R185 VanDerWaalsContact CG-NH2 3.29Å; D182-R185 WeakPolarHBondContact O-CB 3.44Å; D182-R185 PolarHBondContact O-N 2.83Å; D182-R185 IonicContact OD1-CZ 2.88Å; D182-R185 VanDerWaalsContact OD1-CZ 3.24Å; D182-R185 IonicContact OD1-NE 3.52Å; D182-R185 PolarHBondContact OD1-NE 3.21Å; D182-R185 IonicContact OD1-NH2 3.87Å; D182-R185 PolarHBondContact OD1-NH2 3.39Å; D182-R185 IonicContact OD2-CZ 3.05Å; D182-R185 IonicContact OD2-NH2 3.84Å; D182-R185 PolarHBondContact OD2-NH2 3.2Å; D182-Y186 PolarHBondContact O-N 2.87Å
183	K	90.1	Very high	89.3	Confident	117 Å²	117	79.3 Å²	79.3	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-45.3	171.4	-172.1	-175.6	175.4	-166.5	0	111.4	A129 A179 V180 K181 R185 Y186 E187	A129-K183 HydrophobicContact CB-CB 4.34Å; A179-K183 WeakPolarHBondContact O-CB 3.45Å; A179-K183 PolarHBondContact O-N 3.18Å; V180-K183 WeakPolarHBondContact O-CB 3.46Å; V180-K183 PolarHBondContact O-N 3.26Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K183-R185 VanDerWaalsContact C-N 3.35Å; K183-R185 PolarHBondContact O-N 3.06Å; K183-Y186 PolarHBondContact O-N 3.26Å; K183-E187 VanDerWaalsContact CE-OE1 3.24Å; K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 WeakPolarHBondContact O-CG 3.36Å; K183-E187 PolarHBondContact O-N 3.11Å
184	V	91.4	Very high	88.9	Confident	92 Å²	92	79.2 Å²	79.2	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-60.6	-44.4	176.2	175.2	0	0	0	0	111.1	V180 K181 Y186 E187 K188	V180-V184 WeakPolarHBondContact O-CG2 3.32Å; V180-V184 PolarHBondContact O-N 3.46Å; V180-V184 VanDerWaalsContact O-N 3.1Å; K181-V184 PolarHBondContact O-N 3.19Å; V184-Y186 PolarHBondContact O-N 2.98Å; V184-E187 PolarHBondContact O-N 2.85Å; V184-K188 PolarHBondContact O-N 3.44Å
185	R	89.2	Confident	88.6	Confident	54 Å²	54	78.9 Å²	78.9	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-56	-51.5	173.1	176.5	-158.8	61.9	73.8	4.5	111.3	K181 D182 K183 E187 K188 E189	K181-R185 PolarHBondContact O-N 3.37Å; D182-R185 VanDerWaalsContact CG-NH2 3.29Å; D182-R185 WeakPolarHBondContact O-CB 3.44Å; D182-R185 PolarHBondContact O-N 2.83Å; D182-R185 IonicContact OD1-CZ 2.88Å; D182-R185 VanDerWaalsContact OD1-CZ 3.24Å; D182-R185 IonicContact OD1-NE 3.52Å; D182-R185 PolarHBondContact OD1-NE 3.21Å; D182-R185 IonicContact OD1-NH2 3.87Å; D182-R185 PolarHBondContact OD1-NH2 3.39Å; D182-R185 IonicContact OD2-CZ 3.05Å; D182-R185 IonicContact OD2-NH2 3.84Å; D182-R185 PolarHBondContact OD2-NH2 3.2Å; K183-R185 VanDerWaalsContact C-N 3.35Å; K183-R185 PolarHBondContact O-N 3.06Å; R185-E187 VanDerWaalsContact C-N 3.35Å; R185-E187 PolarHBondContact O-N 3.09Å; R185-K188 PolarHBondContact O-N 3.24Å; R185-E189 WeakPolarHBondContact CD-OE1 3.39Å; R185-E189 VanDerWaalsContact CG-OE1 3.25Å; R185-E189 WeakPolarHBondContact CG-OE1 3.48Å; R185-E189 IonicContact CZ-OE1 2.99Å; R185-E189 IonicContact NH1-OE1 2.9Å; R185-E189 PolarHBondContact NH1-OE1 3.31Å; R185-E189 IonicContact NH1-OE2 3.73Å; R185-E189 PolarHBondContact NH1-OE2 3.41Å; R185-E189 WeakPolarHBondContact O-CG 3.39Å; R185-E189 PolarHBondContact O-N 2.95Å
186	Y	88.9	Confident	87.7	Confident	67 Å²	67	80.3 Å²	80.3	26%	0.263	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-41.9	-179.8	173.8	-109.8	0	0	0	112.3	P126 K127 A129 D182 K183 V184 K188 E189 M190	P126-Y186 HydrophobicContact CB-CD2 4.13Å; P126-Y186 HydrophobicContact CB-CE2 4.09Å; K127-Y186 WeakPolarHBondContact O-CD2 3.33Å; A129-Y186 HydrophobicContact CB-CD1 4.31Å; A129-Y186 HydrophobicContact CB-CG 4.2Å; D182-Y186 PolarHBondContact O-N 2.87Å; K183-Y186 PolarHBondContact O-N 3.26Å; V184-Y186 PolarHBondContact O-N 2.98Å; Y186-K188 PolarHBondContact O-N 3.36Å; Y186-E189 PolarHBondContact O-N 3.41Å; Y186-M190 HydrophobicContact CD1-CG 4.16Å; Y186-M190 HydrophobicContact CD2-CG 3.82Å; Y186-M190 HydrophobicContact CE1-CG 3.73Å; Y186-M190 HydrophobicContact CE2-CG 3.36Å; Y186-M190 HydrophobicContact CE2-SD 3.69Å; Y186-M190 HydrophobicContact CG-CG 4.22Å; Y186-M190 VanDerWaalsContact O-CB 3.28Å; Y186-M190 WeakPolarHBondContact O-CB 3.5Å; Y186-M190 VanDerWaalsContact O-CG 3.26Å; Y186-M190 WeakPolarHBondContact O-CG 3.46Å; Y186-M190 PolarHBondContact O-N 2.98Å
187	E	90.4	Very high	86.3	Confident	87 Å²	87	77.9 Å²	77.9	41%	0.407	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-41.6	177.2	-74.7	178.1	-171	0	0	112.1	K183 V184 R185 M190 K191	K183-E187 VanDerWaalsContact CE-OE1 3.24Å; K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 WeakPolarHBondContact O-CG 3.36Å; K183-E187 PolarHBondContact O-N 3.11Å; V184-E187 PolarHBondContact O-N 2.85Å; R185-E187 VanDerWaalsContact C-N 3.35Å; R185-E187 PolarHBondContact O-N 3.09Å; E187-M190 PolarHBondContact O-N 3.37Å; E187-K191 WeakPolarHBondContact O-CG 3.38Å; E187-K191 PolarHBondContact O-N 2.98Å
188	K	89.1	Confident	84.6	Confident	135 Å²	135	82.1 Å²	82.1	59%	0.587	42%	0.415	S	S	*	.	H	α-helix	trans	-61.1	-51.3	174.2	-177	-179	175.6	-177.6	0	111.3	V184 R185 Y186 M190 K191 E192	V184-K188 PolarHBondContact O-N 3.44Å; R185-K188 PolarHBondContact O-N 3.24Å; Y186-K188 PolarHBondContact O-N 3.36Å; K188-M190 VanDerWaalsContact C-N 3.3Å; K188-M190 PolarHBondContact O-N 3.31Å; K188-K191 WeakPolarHBondContact O-CB 3.23Å; K188-K191 PolarHBondContact O-N 2.86Å; K188-K191 VanDerWaalsContact O-N 3.15Å; K188-E192 VanDerWaalsContact CE-OE1 3.29Å; K188-E192 WeakPolarHBondContact CE-OE1 3.34Å; K188-E192 PolarHBondContact O-N 2.98Å; K188-E192 VanDerWaalsContact O-N 3.09Å
189	E	87.4	Confident	83.2	Confident	31 Å²	31	89.5 Å²	89.5	15%	0.145	45%	0.446	C	S	.	.	H	α-helix	trans	-62.1	-37.6	178.8	-70.5	174.5	-161.6	0	0	112.2	P126 R185 Y186 K191 E192 Y193 R201	P126-E189 HydrophobicContact CB-CB 3.75Å; P126-E189 HydrophobicContact CG-CB 3.81Å; P126-E189 WeakPolarHBondContact CG-O 3.16Å; R185-E189 WeakPolarHBondContact CD-OE1 3.39Å; R185-E189 VanDerWaalsContact CG-OE1 3.25Å; R185-E189 WeakPolarHBondContact CG-OE1 3.48Å; R185-E189 IonicContact CZ-OE1 2.99Å; R185-E189 IonicContact NH1-OE1 2.9Å; R185-E189 PolarHBondContact NH1-OE1 3.31Å; R185-E189 IonicContact NH1-OE2 3.73Å; R185-E189 PolarHBondContact NH1-OE2 3.41Å; R185-E189 WeakPolarHBondContact O-CG 3.39Å; R185-E189 PolarHBondContact O-N 2.95Å; Y186-E189 PolarHBondContact O-N 3.41Å; E189-K191 VanDerWaalsContact C-N 3.35Å; E189-E192 PolarHBondContact O-N 3.37Å; E189-Y193 WeakPolarHBondContact O-CB 3.41Å; E189-Y193 PolarHBondContact O-N 3.27Å; E189-R201 IonicContact OE1-CZ 3.35Å; E189-R201 VanDerWaalsContact OE1-CZ 3.23Å; E189-R201 IonicContact OE1-NE 3.58Å; E189-R201 PolarHBondContact OE1-NE 3.03Å; E189-R201 IonicContact OE1-NH2 3.97Å; E189-R201 PolarHBondContact OE1-NH2 2.9Å; E189-R201 IonicContact OE2-CZ 3.96Å; E189-R201 IonicContact OE2-NE 2.77Å; E189-R201 PolarHBondContact OE2-NE 3.29Å; E189-R201 IonicContact OE2-NH2 2.65Å
190	M	86.6	Confident	81.5	Confident	37 Å²	37	96 Å²	96	18%	0.182	48%	0.475	C	S	.	.	H	α-helix	trans	-67.8	-33.9	176.3	-79.2	-59.3	-56.1	0	0	112.8	P126 Y186 E187 K188 Y193 K194	P126-M190 HydrophobicContact CB-CG 4.22Å; P126-M190 HydrophobicContact CB-SD 3.83Å; P126-M190 HydrophobicContact CG-CG 4.33Å; P126-M190 HydrophobicContact CG-SD 3.72Å; Y186-M190 HydrophobicContact CD1-CG 4.16Å; Y186-M190 HydrophobicContact CD2-CG 3.82Å; Y186-M190 HydrophobicContact CE1-CG 3.73Å; Y186-M190 HydrophobicContact CE2-CG 3.36Å; Y186-M190 HydrophobicContact CE2-SD 3.69Å; Y186-M190 HydrophobicContact CG-CG 4.22Å; Y186-M190 VanDerWaalsContact O-CB 3.28Å; Y186-M190 WeakPolarHBondContact O-CB 3.5Å; Y186-M190 VanDerWaalsContact O-CG 3.26Å; Y186-M190 WeakPolarHBondContact O-CG 3.46Å; Y186-M190 PolarHBondContact O-N 2.98Å; E187-M190 PolarHBondContact O-N 3.37Å; K188-M190 VanDerWaalsContact C-N 3.3Å; K188-M190 PolarHBondContact O-N 3.31Å; M190-Y193 HydrophobicContact CE-CD1 4.36Å; M190-K194 WeakPolarHBondContact O-CB 3.42Å; M190-K194 VanDerWaalsContact O-CG 3.24Å; M190-K194 WeakPolarHBondContact O-CG 3.46Å; M190-K194 PolarHBondContact O-N 3.03Å
191	K	89.1	Confident	79.7	Confident	152 Å²	152	97.9 Å²	97.9	66%	0.661	47%	0.472	S	S	*	.	H	α-helix	trans	-64.2	-46.6	172.2	-74.1	173.4	-176.2	178.5	0	110.5	E187 K188 E189 Y193 K194 S195	E187-K191 WeakPolarHBondContact O-CG 3.38Å; E187-K191 PolarHBondContact O-N 2.98Å; K188-K191 WeakPolarHBondContact O-CB 3.23Å; K188-K191 PolarHBondContact O-N 2.86Å; K188-K191 VanDerWaalsContact O-N 3.15Å; E189-K191 VanDerWaalsContact C-N 3.35Å; K191-Y193 PolarHBondContact O-N 2.87Å; K191-K194 PolarHBondContact O-N 2.89Å; K191-S195 PolarHBondContact O-N 3.31Å; K191-S195 PolarHBondContact O-OG 3.12Å
192	E	85.9	Confident	77.7	Confident	89 Å²	89	97.5 Å²	97.5	42%	0.416	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-38.1	176.8	-67.3	174.9	-161.2	0	0	112.6	K188 E189 S195 G197	K188-E192 VanDerWaalsContact CE-OE1 3.29Å; K188-E192 WeakPolarHBondContact CE-OE1 3.34Å; K188-E192 PolarHBondContact O-N 2.98Å; K188-E192 VanDerWaalsContact O-N 3.09Å; E189-E192 PolarHBondContact O-N 3.37Å; E192-S195 PolarHBondContact O-N 3.02Å; E192-S195 PolarHBondContact O-OG 3.41Å; E192-G197 WeakPolarHBondContact O-CA 3.28Å; E192-G197 PolarHBondContact O-N 3.41Å; E192-G197 VanDerWaalsContact O-N 3.1Å
193	Y	84.2	Confident	75.7	Confident	56 Å²	56	106.8 Å²	106.8	22%	0.22	51%	0.511	C	S	.	.	H	α-helix	trans	-66.6	-43.6	175.7	-178.7	-106.8	0	0	0	112	D122 N124 A125 P126 E189 M190 K191 S195 G196	D122-Y193 WeakPolarHBondContact CB-OH 3.43Å; D122-Y193 PolarHBondContact OD2-OH 2.9Å; D122-Y193 VanDerWaalsContact OD2-OH 3.09Å; N124-Y193 HydrophobicContact CB-CE2 4.35Å; N124-Y193 WeakPolarHBondContact O-CD2 3.49Å; N124-Y193 WeakPolarHBondContact O-CE2 3.4Å; A125-Y193 HydrophobicContact CB-CE1 4.18Å; A125-Y193 HydrophobicContact CB-CE2 4.33Å; P126-Y193 VanDerWaalsContact CD-CG 3.41Å; P126-Y193 HydrophobicContact CG-CG 4.14Å; E189-Y193 WeakPolarHBondContact O-CB 3.41Å; E189-Y193 PolarHBondContact O-N 3.27Å; M190-Y193 HydrophobicContact CE-CD1 4.36Å; K191-Y193 PolarHBondContact O-N 2.87Å; Y193-S195 VanDerWaalsContact C-N 3.3Å; Y193-S195 PolarHBondContact O-N 3.34Å; Y193-G196 PolarHBondContact O-N 2.86Å
194	K	84.7	Confident	73.6	Confident	166 Å²	166	104.4 Å²	104.4	72%	0.722	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-29.1	178.8	-76.9	177.6	178.8	-175.9	0	112.9	M190 K191 G196	M190-K194 WeakPolarHBondContact O-CB 3.42Å; M190-K194 VanDerWaalsContact O-CG 3.24Å; M190-K194 WeakPolarHBondContact O-CG 3.46Å; M190-K194 PolarHBondContact O-N 3.03Å; K191-K194 PolarHBondContact O-N 2.89Å; K194-G196 PolarHBondContact O-N 3.32Å
195	S	83.6	Confident	71.5	Confident	100 Å²	100	105.1 Å²	105.1	70%	0.699	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	9.3	176.8	61.5	0	0	0	0	114.1	K191 E192 Y193	K191-S195 PolarHBondContact O-N 3.31Å; K191-S195 PolarHBondContact O-OG 3.12Å; E192-S195 PolarHBondContact O-N 3.02Å; E192-S195 PolarHBondContact O-OG 3.41Å; Y193-S195 VanDerWaalsContact C-N 3.3Å; Y193-S195 PolarHBondContact O-N 3.34Å
196	G	71.3	Confident	69.4	Low	58 Å²	58	109.3 Å²	109.3	60%	0.598	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	3.4	176.7	0	0	0	0	0	114.4	Y193 K194 K198	Y193-G196 PolarHBondContact O-N 2.86Å; K194-G196 PolarHBondContact O-N 3.32Å; G196-K198 VanDerWaalsContact C-N 3.31Å; G196-K198 PolarHBondContact O-N 3.28Å
197	G	60.9	Low	67.5	Low	36 Å²	36	110.5 Å²	110.5	37%	0.371	54%	0.538	S	S	.	.			trans	-71	81.2	172.8	0	0	0	0	0	111.6	E192 K199	E192-G197 WeakPolarHBondContact O-CA 3.28Å; E192-G197 PolarHBondContact O-N 3.41Å; E192-G197 VanDerWaalsContact O-N 3.1Å; G197-K199 PolarHBondContact O-N 2.74Å
198	K	56.2	Low	65.8	Low	165 Å²	165	108.6 Å²	108.6	72%	0.717	53%	0.53	S	S	*	.			trans	-75.9	65.1	171	-67.3	-179.1	-177.5	177.5	0	110.5	G196	G196-K198 VanDerWaalsContact C-N 3.31Å; G196-K198 PolarHBondContact O-N 3.28Å
199	K	57.7	Low	64.4	Low	174 Å²	174	104.1 Å²	104.1	76%	0.757	52%	0.515	S	S	*	.			trans	-82.5	115.5	167.5	-74.1	-175.5	179.7	177.4	0	108.6	G197 R201	G197-K199 PolarHBondContact O-N 2.74Å; K199-R201 PolarHBondContact O-N 3.37Å; K199-R201 VanDerWaalsContact O-N 3.15Å
200	Q	54.1	Low	62.8	Low	153 Å²	153	103 Å²	103	72%	0.715	51%	0.51	S	S	*	.			trans	-66.3	111.5	173.3	-165	172.3	18.5	0	0	107.9	L202	Q200-L202 PolarHBondContact O-N 3.27Å
201	R	54.1	Low	61.3	Low	128 Å²	128	103.3 Å²	103.3	48%	0.483	51%	0.514	S	S	.	.			trans	-73.2	100.6	178.5	-154.2	-177.7	-160.7	-110.2	4.5	108.1	E189 K199 R203	E189-R201 IonicContact OE1-CZ 3.35Å; E189-R201 VanDerWaalsContact OE1-CZ 3.23Å; E189-R201 IonicContact OE1-NE 3.58Å; E189-R201 PolarHBondContact OE1-NE 3.03Å; E189-R201 IonicContact OE1-NH2 3.97Å; E189-R201 PolarHBondContact OE1-NH2 2.9Å; E189-R201 IonicContact OE2-CZ 3.96Å; E189-R201 IonicContact OE2-NE 2.77Å; E189-R201 PolarHBondContact OE2-NE 3.29Å; E189-R201 IonicContact OE2-NH2 2.65Å; K199-R201 PolarHBondContact O-N 3.37Å; K199-R201 VanDerWaalsContact O-N 3.15Å; R201-R203 PolarHBondContact O-N 3.38Å
202	L	47	Very low	60.1	Low	146 Å²	146	102.9 Å²	102.9	76%	0.764	51%	0.513	S	S	*	.			trans	-63.9	121.3	171.4	-150.9	75.6	0	0	0	107.7	Q200 T204	Q200-L202 PolarHBondContact O-N 3.27Å; L202-T204 PolarHBondContact O-N 3.33Å; L202-T204 VanDerWaalsContact O-N 3.08Å
203	R	47.4	Very low	58.9	Low	199 Å²	199	100.6 Å²	100.6	75%	0.751	50%	0.503	S	S	*	.			trans	-63.5	110.6	177.6	-93.3	-179.8	79.2	-162.4	4.3	108.6	R201	R201-R203 PolarHBondContact O-N 3.38Å
204	T	46	Very low	57.6	Low	67 Å²	67	99.4 Å²	99.4	41%	0.411	51%	0.505	S	S	.	.			trans	-103	139.4	152.6	82.6	0	0	0	0	107.9	L202 F206 D207	L202-T204 PolarHBondContact O-N 3.33Å; L202-T204 VanDerWaalsContact O-N 3.08Å; T204-F206 PolarHBondContact O-N 3.41Å; T204-F206 PolarHBondContact OG1-N 2.83Å; T204-D207 PolarHBondContact OG1-N 2.73Å; T204-D207 PolarHBondContact OG1-OD2 3.2Å
205	N	47.2	Very low	56.5	Low	107 Å²	107	95.8 Å²	95.8	57%	0.572	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-63.9	-16.6	169.1	-77.9	-31.6	0	0	0	110.9	N208 V211	N205-N208 WeakPolarHBondContact O-CB 3.13Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-V211 HydrophobicContact CB-CG2 4.46Å; N205-V211 WeakPolarHBondContact O-CB 3.15Å; N205-V211 WeakPolarHBondContact O-CG1 3.44Å; N205-V211 WeakPolarHBondContact O-CG2 2.8Å
206	F	44.7	Very low	55.4	Low	143 Å²	143	98.4 Å²	98.4	63%	0.627	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-73.3	-31.5	-175.2	-144.1	-99.9	0	0	0	113.5	T204 N208	T204-F206 PolarHBondContact O-N 3.41Å; T204-F206 PolarHBondContact OG1-N 2.83Å; F206-N208 VanDerWaalsContact C-N 3.26Å; F206-N208 PolarHBondContact O-N 2.9Å
207	D	50.1	Low	54.8	Low	91 Å²	91	97.7 Å²	97.7	49%	0.487	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-81.9	-3.4	176.7	-61.1	-55.3	0	0	0	113.5	T204 P209	T204-D207 PolarHBondContact OG1-N 2.73Å; T204-D207 PolarHBondContact OG1-OD2 3.2Å; D207-P209 VanDerWaalsContact O-CD 3.28Å; D207-P209 WeakPolarHBondContact O-CD 3.24Å
208	N	55.2	Low	54.6	Low	47 Å²	47	103.1 Å²	103.1	25%	0.251	49%	0.489	S	S	.	.			trans	-75.4	113.2	173.6	-173.5	-12.6	0	0	0	107.6	N205 F206 C210 V211 K212	N205-N208 WeakPolarHBondContact O-CB 3.13Å; N205-N208 PolarHBondContact O-N 2.93Å; F206-N208 VanDerWaalsContact C-N 3.26Å; F206-N208 PolarHBondContact O-N 2.9Å; N208-C210 PolarHBondContact O-N 3.37Å; N208-C210 VanDerWaalsContact OD1-CB 3.29Å; N208-C210 WeakPolarHBondContact OD1-CB 3.36Å; N208-C210 PolarHBondContact OD1-N 3.18Å; N208-C210 VanDerWaalsContact OD1-N 3.15Å; N208-V211 HydrophobicContact CB-CB 4.17Å; N208-V211 HydrophobicContact CB-CG2 3.79Å; N208-V211 PolarHBondContact O-N 3Å; N208-K212 PolarHBondContact O-N 3.07Å
209	P	58.7	Low	54.8	Low	42 Å²	42	101.6 Å²	101.6	27%	0.273	49%	0.488	S	S	.	.	H	α-helix	trans	-57.5	-27.5	-177.7	-12	22.5	0	0	0	111.5	F135 D207 L213	F135-P209 HydrophobicContact CE1-CB 3.72Å; F135-P209 HydrophobicContact CE1-CG 3.9Å; F135-P209 HydrophobicContact CZ-CB 4.42Å; F135-P209 HydrophobicContact CZ-CG 4.25Å; D207-P209 VanDerWaalsContact O-CD 3.28Å; D207-P209 WeakPolarHBondContact O-CD 3.24Å; P209-L213 WeakPolarHBondContact O-CB 3.37Å; P209-L213 WeakPolarHBondContact O-CD1 3.37Å; P209-L213 PolarHBondContact O-N 3.05Å; P209-L213 VanDerWaalsContact O-N 3.09Å
210	C	54	Low	54.5	Low	6 Å²	6	99.1 Å²	99.1	4%	0.041	48%	0.479	C	S	.	.	H	α-helix	trans	-62.8	-41.1	171.4	-69.5	0	0	0	0	114.5	F135 H138 N208 L213 A214	F135-C210 WeakPolarHBondContact CD1-SG 3.16Å; H138-C210 HydrophobicContact CB-CB 3.81Å; H138-C210 VanDerWaalsContact CB-SG 3.51Å; H138-C210 PolarHBondContact ND1-SG 3.3Å; N208-C210 PolarHBondContact O-N 3.37Å; N208-C210 VanDerWaalsContact OD1-CB 3.29Å; N208-C210 WeakPolarHBondContact OD1-CB 3.36Å; N208-C210 PolarHBondContact OD1-N 3.18Å; N208-C210 VanDerWaalsContact OD1-N 3.15Å; C210-L213 PolarHBondContact O-N 3.33Å; C210-A214 WeakPolarHBondContact O-CB 3.2Å; C210-A214 PolarHBondContact O-N 3.35Å
211	V	56.2	Low	54	Low	44 Å²	44	100 Å²	100	27%	0.267	48%	0.48	S	S	.	.	H	α-helix	trans	-72.5	-39.8	-177	174.4	0	0	0	0	109.4	N205 N208 L213 A214 L215	N205-V211 HydrophobicContact CB-CG2 4.46Å; N205-V211 WeakPolarHBondContact O-CB 3.15Å; N205-V211 WeakPolarHBondContact O-CG1 3.44Å; N205-V211 WeakPolarHBondContact O-CG2 2.8Å; N208-V211 HydrophobicContact CB-CB 4.17Å; N208-V211 HydrophobicContact CB-CG2 3.79Å; N208-V211 PolarHBondContact O-N 3Å; V211-L213 VanDerWaalsContact C-N 3.27Å; V211-L213 PolarHBondContact O-N 3Å; V211-A214 PolarHBondContact O-N 3.07Å; V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 WeakPolarHBondContact O-CB 3.47Å; V211-L215 WeakPolarHBondContact O-CD1 3.47Å; V211-L215 PolarHBondContact O-N 3.08Å
212	K	62.6	Low	53.5	Low	144 Å²	144	98.3 Å²	98.3	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-62.6	-35.1	175.1	-163.3	169.3	-176.8	172.2	0	112.1	N208 R216	N208-K212 PolarHBondContact O-N 3.07Å; K212-R216 PolarHBondContact O-N 3.28Å; K212-R216 VanDerWaalsContact O-N 3.11Å
213	L	60.3	Low	53.5	Low	41 Å²	41	99.8 Å²	99.8	22%	0.215	50%	0.495	C	S	.	.	H	α-helix	trans	-76.4	-42	174.5	-99.2	142.8	0	0	0	113.9	M178 P209 C210 V211 L215 R216 A217	M178-L213 HydrophobicContact CE-CD1 3.71Å; M178-L213 HydrophobicContact CE-CD2 3.93Å; M178-L213 HydrophobicContact CE-CG 4.45Å; M178-L213 HydrophobicContact CG-CD1 3.8Å; M178-L213 HydrophobicContact SD-CD1 3.19Å; M178-L213 WeakPolarHBondContact SD-CD1 3.48Å; M178-L213 HydrophobicContact SD-CG 4.41Å; P209-L213 WeakPolarHBondContact O-CB 3.37Å; P209-L213 WeakPolarHBondContact O-CD1 3.37Å; P209-L213 PolarHBondContact O-N 3.05Å; P209-L213 VanDerWaalsContact O-N 3.09Å; C210-L213 PolarHBondContact O-N 3.33Å; V211-L213 VanDerWaalsContact C-N 3.27Å; V211-L213 PolarHBondContact O-N 3Å; L213-L215 PolarHBondContact O-N 3.46Å; L213-R216 CarbonylContact O-C 3.16Å; L213-R216 PolarHBondContact O-N 3.07Å; L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.01Å
214	A	58.3	Low	53	Low	31 Å²	31	102.9 Å²	102.9	26%	0.256	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-33.2	174.8	0	0	0	0	0	111.7	C210 V211 K218	C210-A214 WeakPolarHBondContact O-CB 3.2Å; C210-A214 PolarHBondContact O-N 3.35Å; V211-A214 PolarHBondContact O-N 3.07Å; A214-K218 WeakPolarHBondContact O-CB 3.4Å; A214-K218 WeakPolarHBondContact O-CG 3.32Å; A214-K218 PolarHBondContact O-N 3.18Å
215	L	60.4	Low	53.3	Low	90 Å²	90	104.7 Å²	104.7	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-43.4	169.6	-88.5	150.3	0	0	0	111.9	V211 L213 I219	V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 WeakPolarHBondContact O-CB 3.47Å; V211-L215 WeakPolarHBondContact O-CD1 3.47Å; V211-L215 PolarHBondContact O-N 3.08Å; L213-L215 PolarHBondContact O-N 3.46Å; L215-I219 WeakPolarHBondContact O-CD1 3.17Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.34Å; L215-I219 PolarHBondContact O-N 3.29Å
216	R	61.2	Low	53.7	Low	154 Å²	154	104.5 Å²	104.5	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-45.7	178	-172.8	177.9	-179.2	151	4.4	113	K212 L213 K218 I219 E220	K212-R216 PolarHBondContact O-N 3.28Å; K212-R216 VanDerWaalsContact O-N 3.11Å; L213-R216 CarbonylContact O-C 3.16Å; L213-R216 PolarHBondContact O-N 3.07Å; R216-K218 VanDerWaalsContact C-N 3.3Å; R216-K218 PolarHBondContact O-N 2.98Å; R216-I219 WeakPolarHBondContact O-CA 3.23Å; R216-I219 WeakPolarHBondContact O-CB 3.44Å; R216-I219 PolarHBondContact O-N 3.43Å; R216-E220 IonicContact NE-OE1 3.95Å; R216-E220 IonicContact NE-OE2 3.23Å; R216-E220 IonicContact NH2-OE1 2.93Å; R216-E220 PolarHBondContact O-N 3.02Å
217	A	59	Low	54.1	Low	43 Å²	43	102.4 Å²	102.4	36%	0.355	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-33.2	179.1	0	0	0	0	0	112.4	L213 I219 E220 F221	L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.01Å; A217-I219 VanDerWaalsContact C-N 3.26Å; A217-I219 PolarHBondContact O-N 3.43Å; A217-E220 PolarHBondContact O-N 2.95Å; A217-F221 PolarHBondContact O-N 3.46Å
218	K	57.2	Low	54.4	Low	151 Å²	151	103.1 Å²	103.1	66%	0.657	52%	0.516	S	S	*	.	H	α-helix	trans	-71	-18.3	171.6	-81.7	173.1	177.1	174.1	0	114	A214 R216	A214-K218 WeakPolarHBondContact O-CB 3.4Å; A214-K218 WeakPolarHBondContact O-CG 3.32Å; A214-K218 PolarHBondContact O-N 3.18Å; R216-K218 VanDerWaalsContact C-N 3.3Å; R216-K218 PolarHBondContact O-N 2.98Å
219	I	58.8	Low	54.3	Low	133 Å²	133	106.6 Å²	106.6	68%	0.682	53%	0.533	S	S	*	.	H	α-helix	trans	-86.9	-36.3	173.8	-66.8	162.3	0	0	0	110.3	L215 R216 A217	L215-I219 WeakPolarHBondContact O-CD1 3.17Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.34Å; L215-I219 PolarHBondContact O-N 3.29Å; R216-I219 WeakPolarHBondContact O-CA 3.23Å; R216-I219 WeakPolarHBondContact O-CB 3.44Å; R216-I219 PolarHBondContact O-N 3.43Å; A217-I219 VanDerWaalsContact C-N 3.26Å; A217-I219 PolarHBondContact O-N 3.43Å
220	E	51.2	Low	54	Low	121 Å²	121	110.9 Å²	110.9	57%	0.565	55%	0.55	S	S	*	.	H	α-helix	trans	-79	-21.2	178.9	-93.5	163.7	175.4	0	0	113.8	R216 A217	R216-E220 IonicContact NE-OE1 3.95Å; R216-E220 IonicContact NE-OE2 3.23Å; R216-E220 IonicContact NH2-OE1 2.93Å; R216-E220 PolarHBondContact O-N 3.02Å; A217-E220 PolarHBondContact O-N 2.95Å
221	F	43.7	Very low	54	Low	172 Å²	172	118.4 Å²	118.4	75%	0.754	59%	0.586	S	S	*	*			trans	-130.8	81	171.9	-68.4	-86.4	0	0	0	110.5	A217 N223	A217-F221 PolarHBondContact O-N 3.46Å; F221-N223 PolarHBondContact O-N 3.21Å
222	P	45	Very low	53.9	Low	92 Å²	92	124.1 Å²	124.1	60%	0.597	61%	0.611	S	S	*	*			trans	-64.9	133.4	161.5	30.5	-29.6	0	0	0	106.9	E224	P222-E224 PolarHBondContact O-N 2.86Å
223	N	45.9	Very low	53.2	Low	177 Å²	177	122.4 Å²	122.4	95%	0.947	61%	0.61	S	S	*	*			trans	-47.3	110.4	176.5	-76.9	-62.3	0	0	0	110	F221	F221-N223 PolarHBondContact O-N 3.21Å
224	E	36.8	Very low	52.5	Low	264 Å²	264	129.8 Å²	129.8	100%	1.234	65%	0.645	S	S	*	*			trans	-133.3	0	163.6	-129.2	-174	144.7	0	0	107.5	P222	P222-E224 PolarHBondContact O-N 2.86Å

Retrieved 224 of 224 residues in 214 ms (Link to these results)

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