A0A087Y542_POEFO Loading...

Regulator of G protein signaling 19

AlphaFold DB , UniProt , Accession A0A087Y542, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	33.3	Very low	34.4	Very low	221 Å²	221	131.1 Å²	131.1	100%	1.157	81%	0.809	S	S	*	*				0	127.3	0	-76.2	161	0	0	0	108.3
2	V	32.6	Very low	34.2	Very low	128 Å²	128	134.2 Å²	134.2	78%	0.776	82%	0.817	S	S	*	*			trans	16.9	126.3	142.2	-153.5	0	0	0	0	116.7
3	T	33.2	Very low	34.1	Very low	120 Å²	120	131.4 Å²	131.4	74%	0.736	82%	0.816	S	S	*	*			cis	-167.2	166.7	-9	29.6	0	0	0	0	106.1
4	T	36.3	Very low	34	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	82%	0.815	S	S	*	*			cis	-157.4	169.2	3.6	0.5	0	0	0	0	108
5	A	36.1	Very low	33.9	Very low	85 Å²	85	131 Å²	131	70%	0.702	82%	0.815	S	S	*	*			trans	-128.3	134.8	169.2	0	0	0	0	0	111.7
6	V	36.6	Very low	33.5	Very low	149 Å²	149	134 Å²	134	90%	0.903	81%	0.813	S	S	*	*			trans	-102.2	87	170.4	-178.8	0	0	0	0	108.2
7	S	35.9	Very low	33.6	Very low	96 Å²	96	140.5 Å²	140.5	67%	0.671	82%	0.819	S	S	*	*			trans	-96.8	130.2	170.5	-63.7	0	0	0	0	109.4	T9	S7-T9 PolarHBondContact O-N 3.43Å; S7-T9 VanDerWaalsContact O-N 3.13Å
8	I	33.3	Very low	33.4	Very low	160 Å²	160	141.1 Å²	141.1	82%	0.821	82%	0.819	S	S	*	*			trans	-70.3	105.7	-179.8	-63.4	165.3	0	0	0	108.8	V10	I8-V10 PolarHBondContact O-N 3.22Å
9	T	33.2	Very low	33.7	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	82%	0.818	S	S	*	*			trans	-86.6	105.7	169.3	49.7	0	0	0	0	110	S7 A11	S7-T9 PolarHBondContact O-N 3.43Å; S7-T9 VanDerWaalsContact O-N 3.13Å; T9-A11 PolarHBondContact O-N 3.39Å
10	V	35	Very low	33.7	Very low	137 Å²	137	142.1 Å²	142.1	83%	0.83	82%	0.818	S	S	*	*			trans	-70.5	122.5	157.6	178.6	0	0	0	0	106.7	I8	I8-V10 PolarHBondContact O-N 3.22Å
11	A	32.5	Very low	34.2	Very low	85 Å²	85	142 Å²	142	70%	0.702	82%	0.815	S	S	*	*			trans	-126.2	114.3	178.9	0	0	0	0	0	109.9	T9	T9-A11 PolarHBondContact O-N 3.39Å
12	D	33	Very low	34.3	Very low	168 Å²	168	137.9 Å²	137.9	90%	0.898	80%	0.799	S	S	*	*			trans	-61.9	139.9	166.4	-82.9	-58.9	0	0	0	111
13	A	32.5	Very low	35	Very low	98 Å²	98	138.1 Å²	138.1	81%	0.81	80%	0.8	S	S	*	*			trans	-146.5	88.4	167.4	0	0	0	0	0	110.5
14	A	32.8	Very low	35.1	Very low	97 Å²	97	137.4 Å²	137.4	80%	0.802	80%	0.799	S	S	*	*			trans	-83	125.2	165.9	0	0	0	0	0	110.2
15	I	31.6	Very low	35.5	Very low	160 Å²	160	136.8 Å²	136.8	82%	0.821	79%	0.791	S	S	*	*			trans	-155	103.2	158.6	-93.3	135.1	0	0	0	105.3
16	K	28.8	Very low	35.6	Very low	179 Å²	179	137 Å²	137	78%	0.778	79%	0.786	S	S	*	*				85	120	90.6	-144.7	-179.3	-170.3	-173.1	0	111.6	D18	K16-D18 PolarHBondContact O-N 2.95Å
17	R	34.1	Very low	36	Very low	244 Å²	244	135.3 Å²	135.3	92%	0.921	78%	0.776	S	S	*	*			trans	-67.1	124.9	170.1	-74.4	178.1	176.5	162.5	-1.8	108.6
18	D	29.6	Very low	36.2	Very low	152 Å²	152	134 Å²	134	81%	0.813	77%	0.766	S	S	*	*			trans	-137.7	142.5	150.8	-94.8	-50.4	0	0	0	109.3	K16	K16-D18 PolarHBondContact O-N 2.95Å
19	N	39.6	Very low	36.7	Very low	150 Å²	150	131 Å²	131	80%	0.802	76%	0.755	S	S	*	*			trans	-100.1	105	-169.5	176.7	47.9	0	0	0	109.9
20	N	33.3	Very low	37.1	Very low	151 Å²	151	134.2 Å²	134.2	81%	0.807	76%	0.755	S	S	*	*			trans	-164.7	154.8	144.5	-104.8	-26.3	0	0	0	113.9	T22	N20-T22 PolarHBondContact O-N 3.5Å
21	N	45	Very low	37.4	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	73%	0.734	S	S	*	*			trans	-74.4	109.8	-167.8	-177.7	31.6	0	0	0	113.8
22	T	35.3	Very low	37.9	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	72%	0.722	S	S	*	*			trans	-147.8	104.8	158	-6.6	0	0	0	0	110.5	N20 C24	N20-T22 PolarHBondContact O-N 3.5Å; T22-C24 PolarHBondContact O-N 3.5Å
23	V	46.5	Very low	38.6	Very low	133 Å²	133	125.2 Å²	125.2	81%	0.806	70%	0.702	S	S	*	*			trans	-67.3	113.1	173.1	174.5	0	0	0	0	109
24	C	35.1	Very low	39.4	Very low	105 Å²	105	123.4 Å²	123.4	71%	0.709	68%	0.684	S	S	*	*			trans	-105	110.6	173.3	-168.2	0	0	0	0	110.2	T22 C26	T22-C24 PolarHBondContact O-N 3.5Å; C24-C26 VanDerWaalsContact C-N 3.3Å; C24-C26 PolarHBondContact O-N 3.13Å
25	D	44.7	Very low	40.3	Very low	125 Å²	125	126.1 Å²	126.1	67%	0.668	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	65.2	-170.3	-171.5	17.9	0	0	0	113.2
26	C	39.7	Very low	41.5	Very low	90 Å²	90	123.3 Å²	123.3	61%	0.608	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-13.3	-178.1	-79	0	0	0	0	115	C24	C24-C26 VanDerWaalsContact C-N 3.3Å; C24-C26 PolarHBondContact O-N 3.13Å
27	T	45.2	Very low	42.9	Very low	113 Å²	113	120.2 Å²	120.2	69%	0.693	65%	0.653	S	S	*	*	H	α-helix	trans	-78.4	-21.8	176.8	49.5	0	0	0	0	113.1	S31	T27-S31 VanDerWaalsContact O-CB 3.31Å; T27-S31 WeakPolarHBondContact O-CB 3.31Å; T27-S31 PolarHBondContact O-N 2.72Å; T27-S31 PolarHBondContact O-OG 3.32Å
28	C	39.6	Very low	44.4	Very low	69 Å²	69	113.3 Å²	113.3	47%	0.466	63%	0.631	S	S	.	*	H	α-helix	trans	-67.9	-41.2	179.7	-170	0	0	0	0	112.6	S32	C28-S32 VanDerWaalsContact O-CB 3.3Å; C28-S32 WeakPolarHBondContact O-CB 3.43Å; C28-S32 PolarHBondContact O-N 2.97Å; C28-S32 PolarHBondContact O-OG 3.13Å
29	V	44.6	Very low	46.1	Very low	97 Å²	97	109 Å²	109	59%	0.588	61%	0.606	S	S	*	*	H	α-helix	trans	-67.7	-49.4	-175.1	-177.1	0	0	0	0	111.6	S31 S32 T33	V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.44Å; V29-S32 PolarHBondContact O-N 2.75Å; V29-S32 VanDerWaalsContact O-N 3.13Å; V29-T33 PolarHBondContact O-N 2.97Å; V29-T33 PolarHBondContact O-OG1 3.36Å
30	Y	40.6	Very low	47.2	Very low	191 Å²	191	109.3 Å²	109.3	75%	0.749	60%	0.596	S	S	*	*	H	α-helix	trans	-66.1	-35.3	179.3	-159.9	-93.2	0	0	0	112.5	S32 T33 S34	Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-T33 PolarHBondContact O-OG1 3.42Å; Y30-T33 VanDerWaalsContact O-OG1 3.08Å; Y30-S34 VanDerWaalsContact O-CB 3.27Å; Y30-S34 WeakPolarHBondContact O-CB 3.25Å; Y30-S34 PolarHBondContact O-N 3.14Å; Y30-S34 VanDerWaalsContact O-N 3.13Å
31	S	40.8	Very low	48.7	Very low	58 Å²	58	110 Å²	110	41%	0.406	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-34.9	173.2	-60.4	0	0	0	0	112.3	T27 V29 K35	T27-S31 VanDerWaalsContact O-CB 3.31Å; T27-S31 WeakPolarHBondContact O-CB 3.31Å; T27-S31 PolarHBondContact O-N 2.72Å; T27-S31 PolarHBondContact O-OG 3.32Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.44Å; S31-K35 WeakPolarHBondContact O-CB 3.27Å; S31-K35 VanDerWaalsContact O-CG 3.25Å; S31-K35 WeakPolarHBondContact O-CG 3.3Å; S31-K35 PolarHBondContact O-N 3.13Å; S31-K35 VanDerWaalsContact O-N 3.14Å
32	S	43.6	Very low	49.8	Very low	64 Å²	64	107.7 Å²	107.7	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-76.8	-40.9	-179	-62.1	0	0	0	0	112.1	C28 V29 Y30 N36	C28-S32 VanDerWaalsContact O-CB 3.3Å; C28-S32 WeakPolarHBondContact O-CB 3.43Å; C28-S32 PolarHBondContact O-N 2.97Å; C28-S32 PolarHBondContact O-OG 3.13Å; V29-S32 PolarHBondContact O-N 2.75Å; V29-S32 VanDerWaalsContact O-N 3.13Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; S32-N36 WeakPolarHBondContact O-CB 3.5Å; S32-N36 PolarHBondContact O-N 3.08Å
33	T	48	Very low	51.4	Low	78 Å²	78	108.5 Å²	108.5	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-64.1	-46.5	173.9	52	0	0	0	0	111.4	V29 Y30 K35 N36 E37	V29-T33 PolarHBondContact O-N 2.97Å; V29-T33 PolarHBondContact O-OG1 3.36Å; Y30-T33 PolarHBondContact O-OG1 3.42Å; Y30-T33 VanDerWaalsContact O-OG1 3.08Å; T33-K35 PolarHBondContact O-N 3Å; T33-N36 PolarHBondContact O-N 3.33Å; T33-E37 WeakPolarHBondContact O-CB 3.33Å; T33-E37 PolarHBondContact O-N 2.88Å
34	S	49.2	Very low	52.4	Low	60 Å²	60	106.4 Å²	106.4	42%	0.42	54%	0.536	S	S	.	.	H	α-helix	trans	-54.7	-51.3	175.2	169.9	0	0	0	0	112.5	Y30 N36 E37 E38	Y30-S34 VanDerWaalsContact O-CB 3.27Å; Y30-S34 WeakPolarHBondContact O-CB 3.25Å; Y30-S34 PolarHBondContact O-N 3.14Å; Y30-S34 VanDerWaalsContact O-N 3.13Å; S34-N36 PolarHBondContact O-N 3.47Å; S34-E37 PolarHBondContact O-N 2.83Å; S34-E38 WeakPolarHBondContact O-CB 3.21Å; S34-E38 PolarHBondContact O-N 3.24Å
35	K	50.8	Low	53.9	Low	154 Å²	154	110.2 Å²	110.2	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-38.4	178.2	-73.9	172.7	-177.7	177.5	0	112.9	S31 T33 E38 E39	S31-K35 WeakPolarHBondContact O-CB 3.27Å; S31-K35 VanDerWaalsContact O-CG 3.25Å; S31-K35 WeakPolarHBondContact O-CG 3.3Å; S31-K35 PolarHBondContact O-N 3.13Å; S31-K35 VanDerWaalsContact O-N 3.14Å; T33-K35 PolarHBondContact O-N 3Å; K35-E38 PolarHBondContact O-N 2.8Å; K35-E39 WeakPolarHBondContact O-CB 3.49Å; K35-E39 PolarHBondContact O-N 2.9Å
36	N	57.1	Low	55	Low	101 Å²	101	112.5 Å²	112.5	54%	0.54	53%	0.534	S	S	.	.	H	α-helix	trans	-73	-35.3	-179.7	-156.4	5.1	0	0	0	111.5	S32 T33 S34 E39 R40	S32-N36 WeakPolarHBondContact O-CB 3.5Å; S32-N36 PolarHBondContact O-N 3.08Å; T33-N36 PolarHBondContact O-N 3.33Å; S34-N36 PolarHBondContact O-N 3.47Å; N36-E39 PolarHBondContact O-N 2.61Å; N36-R40 VanDerWaalsContact O-CG 3.32Å; N36-R40 WeakPolarHBondContact O-CG 3.01Å; N36-R40 PolarHBondContact O-N 2.76Å
37	E	59.5	Low	56.3	Low	115 Å²	115	112.4 Å²	112.4	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-70.6	-36.8	172.7	-171.7	166.3	-151.4	0	0	112.1	T33 S34 R40 R41	T33-E37 WeakPolarHBondContact O-CB 3.33Å; T33-E37 PolarHBondContact O-N 2.88Å; S34-E37 PolarHBondContact O-N 2.83Å; E37-R40 CarbonylContact O-C 3.6Å; E37-R40 PolarHBondContact O-N 3.22Å; E37-R41 PolarHBondContact O-N 3.49Å
38	E	65.4	Low	57.3	Low	98 Å²	98	110.7 Å²	110.7	46%	0.458	51%	0.505	S	S	.	.	H	α-helix	trans	-68.4	-38.5	171.7	-165.8	177.4	133.8	0	0	112.2	S34 K35 R41 K42	S34-E38 WeakPolarHBondContact O-CB 3.21Å; S34-E38 PolarHBondContact O-N 3.24Å; K35-E38 PolarHBondContact O-N 2.8Å; E38-R41 CarbonylContact O-C 3.55Å; E38-R41 WeakPolarHBondContact O-CB 3.49Å; E38-R41 PolarHBondContact O-N 3.32Å; E38-K42 HydrophobicContact CG-CD 4.39Å; E38-K42 WeakPolarHBondContact O-CB 3.45Å; E38-K42 WeakPolarHBondContact O-CG 3.36Å; E38-K42 PolarHBondContact O-N 2.9Å; E38-K42 WeakPolarHBondContact OE1-CE 3.32Å; E38-K42 IonicContact OE1-NZ 3.81Å; E38-K42 PolarHBondContact OE1-NZ 3.49Å
39	E	64.1	Low	58.3	Low	62 Å²	62	112.1 Å²	112.1	29%	0.29	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-41.2	169.9	-103.5	-66	114.8	0	0	111.6	K35 N36 R41 K42 R43	K35-E39 WeakPolarHBondContact O-CB 3.49Å; K35-E39 PolarHBondContact O-N 2.9Å; N36-E39 PolarHBondContact O-N 2.61Å; E39-R41 PolarHBondContact O-N 3.42Å; E39-K42 PolarHBondContact O-N 2.85Å; E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 VanDerWaalsContact O-CG 3.27Å; E39-R43 WeakPolarHBondContact O-CG 3.5Å; E39-R43 PolarHBondContact O-N 2.81Å; E39-R43 IonicContact OE2-CZ 3.73Å; E39-R43 IonicContact OE2-NE 3.92Å; E39-R43 PolarHBondContact OE2-NE 3.3Å; E39-R43 IonicContact OE2-NH2 2.67Å; E39-R43 PolarHBondContact OE2-NH2 2.99Å
40	R	63.8	Low	59	Low	156 Å²	156	111 Å²	111	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-39	172.4	-72.5	178.4	83.1	159.5	5.3	111.7	N36 E37 R44	N36-R40 VanDerWaalsContact O-CG 3.32Å; N36-R40 WeakPolarHBondContact O-CG 3.01Å; N36-R40 PolarHBondContact O-N 2.76Å; E37-R40 CarbonylContact O-C 3.6Å; E37-R40 PolarHBondContact O-N 3.22Å; R40-R44 VanDerWaalsContact O-CB 3.28Å; R40-R44 WeakPolarHBondContact O-CB 3.4Å; R40-R44 VanDerWaalsContact O-CG 3.25Å; R40-R44 WeakPolarHBondContact O-CG 3.3Å; R40-R44 PolarHBondContact O-N 2.77Å
41	R	64	Low	60	Low	166 Å²	166	105.3 Å²	105.3	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-42.1	171	-83.8	-176.8	167.2	126.9	-2.9	112.1	E37 E38 E39 R44 R45	E37-R41 PolarHBondContact O-N 3.49Å; E38-R41 CarbonylContact O-C 3.55Å; E38-R41 WeakPolarHBondContact O-CB 3.49Å; E38-R41 PolarHBondContact O-N 3.32Å; E39-R41 PolarHBondContact O-N 3.42Å; R41-R44 PolarHBondContact O-N 3.25Å; R41-R45 VanDerWaalsContact O-CB 3.3Å; R41-R45 WeakPolarHBondContact O-CB 3.27Å; R41-R45 PolarHBondContact O-N 3.49Å
42	K	68.7	Low	60.8	Low	94 Å²	94	105.3 Å²	105.3	41%	0.409	48%	0.479	S	S	.	.	H	α-helix	trans	-66.4	-42	177.1	-76.2	169.6	-177.7	163.4	0	111.8	E38 E39 R45 R46	E38-K42 HydrophobicContact CG-CD 4.39Å; E38-K42 WeakPolarHBondContact O-CB 3.45Å; E38-K42 WeakPolarHBondContact O-CG 3.36Å; E38-K42 PolarHBondContact O-N 2.9Å; E38-K42 WeakPolarHBondContact OE1-CE 3.32Å; E38-K42 IonicContact OE1-NZ 3.81Å; E38-K42 PolarHBondContact OE1-NZ 3.49Å; E39-K42 PolarHBondContact O-N 2.85Å; K42-R45 PolarHBondContact O-N 2.65Å; K42-R46 WeakPolarHBondContact O-CB 3.25Å; K42-R46 WeakPolarHBondContact O-CG 3.28Å; K42-R46 PolarHBondContact O-N 2.83Å
43	R	68.1	Low	61.3	Low	149 Å²	149	105.6 Å²	105.6	56%	0.562	48%	0.478	S	S	*	.	H	α-helix	trans	-64.8	-44.6	172.9	-69.5	172.1	-161.5	-171.2	4.1	111.6	E39 R45 R46 K47	E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 VanDerWaalsContact O-CG 3.27Å; E39-R43 WeakPolarHBondContact O-CG 3.5Å; E39-R43 PolarHBondContact O-N 2.81Å; E39-R43 IonicContact OE2-CZ 3.73Å; E39-R43 IonicContact OE2-NE 3.92Å; E39-R43 PolarHBondContact OE2-NE 3.3Å; E39-R43 IonicContact OE2-NH2 2.67Å; E39-R43 PolarHBondContact OE2-NH2 2.99Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 3.12Å; R43-R46 PolarHBondContact O-N 3.38Å; R43-K47 VanDerWaalsContact O-CB 3.32Å; R43-K47 WeakPolarHBondContact O-CB 3.49Å; R43-K47 PolarHBondContact O-N 3.24Å
44	R	68	Low	61.6	Low	90 Å²	90	108.6 Å²	108.6	34%	0.34	48%	0.484	S	S	.	.	H	α-helix	trans	-58.9	-42.7	170.9	-77.9	174.5	176.3	179.2	2.1	111.5	R40 R41 K47 R48 E130	R40-R44 VanDerWaalsContact O-CB 3.28Å; R40-R44 WeakPolarHBondContact O-CB 3.4Å; R40-R44 VanDerWaalsContact O-CG 3.25Å; R40-R44 WeakPolarHBondContact O-CG 3.3Å; R40-R44 PolarHBondContact O-N 2.77Å; R41-R44 PolarHBondContact O-N 3.25Å; R44-K47 CarbonylContact O-C 3.58Å; R44-K47 PolarHBondContact O-N 2.78Å; R44-R48 WeakPolarHBondContact O-CB 3.47Å; R44-R48 WeakPolarHBondContact O-CG 3.35Å; R44-R48 PolarHBondContact O-N 2.78Å; R44-E130 IonicContact NH1-OE1 2.71Å
45	R	67.4	Low	61.8	Low	184 Å²	184	107.9 Å²	107.9	69%	0.694	48%	0.475	S	S	*	.	H	α-helix	trans	-67.1	-40.6	177.7	-168.5	174.3	-177.2	173.6	1.2	112.2	R41 K42 R43 R48 I49	R41-R45 VanDerWaalsContact O-CB 3.3Å; R41-R45 WeakPolarHBondContact O-CB 3.27Å; R41-R45 PolarHBondContact O-N 3.49Å; K42-R45 PolarHBondContact O-N 2.65Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 3.12Å; R45-R48 PolarHBondContact O-N 2.92Å; R45-I49 HydrophobicContact CG-CD1 4.21Å; R45-I49 WeakPolarHBondContact O-CB 3.4Å; R45-I49 WeakPolarHBondContact O-CD1 3.27Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.42Å; R45-I49 PolarHBondContact O-N 3.47Å
46	R	68.1	Low	61.8	Low	173 Å²	173	105.5 Å²	105.5	65%	0.653	47%	0.466	S	S	*	.	H	α-helix	trans	-64.1	-41	171.6	-73.4	177.1	-178.5	169.2	2.2	111.8	K42 R43 I49 S50	K42-R46 WeakPolarHBondContact O-CB 3.25Å; K42-R46 WeakPolarHBondContact O-CG 3.28Å; K42-R46 PolarHBondContact O-N 2.83Å; R43-R46 PolarHBondContact O-N 3.38Å; R46-I49 PolarHBondContact O-N 2.7Å; R46-S50 WeakPolarHBondContact O-CB 3.33Å; R46-S50 PolarHBondContact O-N 3.49Å
47	K	66.3	Low	61	Low	89 Å²	89	105.8 Å²	105.8	39%	0.387	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-39	175.5	-168.2	171.5	179.1	177.3	0	111.9	R43 R44 S50 Q51 E123	R43-K47 VanDerWaalsContact O-CB 3.32Å; R43-K47 WeakPolarHBondContact O-CB 3.49Å; R43-K47 PolarHBondContact O-N 3.24Å; R44-K47 CarbonylContact O-C 3.58Å; R44-K47 PolarHBondContact O-N 2.78Å; K47-S50 CarbonylContact O-C 3.5Å; K47-S50 PolarHBondContact O-N 3.38Å; K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.4Å; K47-Q51 VanDerWaalsContact O-CG 3.3Å; K47-Q51 WeakPolarHBondContact O-CG 3.2Å; K47-Q51 PolarHBondContact O-N 3.43Å; K47-E123 WeakPolarHBondContact CE-OE1 3.48Å; K47-E123 IonicContact NZ-OE1 2.94Å; K47-E123 PolarHBondContact NZ-OE1 2.71Å; K47-E123 IonicContact NZ-OE2 3.84Å; K47-E123 PolarHBondContact NZ-OE2 2.85Å
48	R	65.3	Low	60.3	Low	77 Å²	77	105.7 Å²	105.7	29%	0.291	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-47.1	171	-77.4	-156.7	-154.3	168.7	7.9	111.6	R44 R45 S50 Q51 D52 E130 D131	R44-R48 WeakPolarHBondContact O-CB 3.47Å; R44-R48 WeakPolarHBondContact O-CG 3.35Å; R44-R48 PolarHBondContact O-N 2.78Å; R45-R48 PolarHBondContact O-N 2.92Å; R48-S50 VanDerWaalsContact C-N 3.32Å; R48-S50 PolarHBondContact O-N 2.68Å; R48-Q51 CarbonylContact O-C 3.49Å; R48-Q51 WeakPolarHBondContact O-CA 3.38Å; R48-Q51 PolarHBondContact O-N 3.23Å; R48-D52 WeakPolarHBondContact O-CB 3.37Å; R48-D52 PolarHBondContact O-N 2.92Å; R48-E130 IonicContact CZ-OE2 3.14Å; R48-E130 IonicContact NE-OE2 3.4Å; R48-E130 VanDerWaalsContact NH2-CB 3.29Å; R48-E130 IonicContact NH2-OE2 3.51Å; R48-E130 PolarHBondContact NH2-OE2 3.47Å; R48-D131 IonicContact CZ-OD1 3.89Å; R48-D131 VanDerWaalsContact CZ-OD1 3.24Å; R48-D131 IonicContact NE-OD1 2.68Å; R48-D131 IonicContact NE-OD2 2.78Å; R48-D131 IonicContact NH1-OD1 3.68Å; R48-D131 PolarHBondContact NH1-OD1 2.99Å
49	I	61.2	Low	59.5	Low	99 Å²	99	105.1 Å²	105.1	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-58.5	-47.3	174	-69.5	161.7	0	0	0	109.6	R45 R46 Q51 D52 T53	R45-I49 HydrophobicContact CG-CD1 4.21Å; R45-I49 WeakPolarHBondContact O-CB 3.4Å; R45-I49 WeakPolarHBondContact O-CD1 3.27Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.42Å; R45-I49 PolarHBondContact O-N 3.47Å; R46-I49 PolarHBondContact O-N 2.7Å; I49-Q51 PolarHBondContact O-N 3.02Å; I49-D52 PolarHBondContact O-N 3.14Å; I49-T53 WeakPolarHBondContact O-CB 3.34Å; I49-T53 PolarHBondContact O-N 2.99Å; I49-T53 PolarHBondContact O-OG1 3.19Å
50	S	60.3	Low	58.9	Low	74 Å²	74	106.5 Å²	106.5	52%	0.517	48%	0.475	S	S	.	.	H	α-helix	trans	-62.7	-27.3	174.5	-179.2	0	0	0	0	113.5	R46 K47 R48 K54	R46-S50 WeakPolarHBondContact O-CB 3.33Å; R46-S50 PolarHBondContact O-N 3.49Å; K47-S50 CarbonylContact O-C 3.5Å; K47-S50 PolarHBondContact O-N 3.38Å; R48-S50 VanDerWaalsContact C-N 3.32Å; R48-S50 PolarHBondContact O-N 2.68Å; S50-K54 WeakPolarHBondContact O-CB 3.25Å; S50-K54 PolarHBondContact O-N 2.93Å
51	Q	60.3	Low	58.2	Low	71 Å²	71	106 Å²	106	33%	0.332	49%	0.49	S	S	.	.	H	α-helix	trans	-83.8	-39.7	176.7	-81.9	179	-56.6	0	0	112.5	K47 R48 I49 K54 M55	K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.4Å; K47-Q51 VanDerWaalsContact O-CG 3.3Å; K47-Q51 WeakPolarHBondContact O-CG 3.2Å; K47-Q51 PolarHBondContact O-N 3.43Å; R48-Q51 CarbonylContact O-C 3.49Å; R48-Q51 WeakPolarHBondContact O-CA 3.38Å; R48-Q51 PolarHBondContact O-N 3.23Å; I49-Q51 PolarHBondContact O-N 3.02Å; Q51-K54 CarbonylContact O-C 3.27Å; Q51-K54 PolarHBondContact O-N 3.24Å; Q51-M55 WeakPolarHBondContact O-CB 3.38Å; Q51-M55 PolarHBondContact O-N 2.94Å
52	D	57.3	Low	57.9	Low	57 Å²	57	100.2 Å²	100.2	31%	0.305	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-51.1	171.2	-93.8	-9.3	0	0	0	108.4	R48 I49 K54 M55 E56 K139	R48-D52 WeakPolarHBondContact O-CB 3.37Å; R48-D52 PolarHBondContact O-N 2.92Å; I49-D52 PolarHBondContact O-N 3.14Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 PolarHBondContact O-N 2.89Å; D52-M55 CarbonylContact O-C 3.45Å; D52-M55 PolarHBondContact O-N 3.07Å; D52-E56 WeakPolarHBondContact O-CB 3.39Å; D52-E56 WeakPolarHBondContact O-CG 3.48Å; D52-E56 PolarHBondContact O-N 3.34Å; D52-K139 VanDerWaalsContact CG-NZ 3.29Å; D52-K139 IonicContact OD1-NZ 2.78Å; D52-K139 PolarHBondContact OD1-NZ 2.86Å; D52-K139 IonicContact OD2-NZ 3.64Å; D52-K139 PolarHBondContact OD2-NZ 3.31Å
53	T	55	Low	57.9	Low	70 Å²	70	101.1 Å²	101.1	43%	0.429	49%	0.49	S	S	.	.	H	α-helix	trans	-59.9	-39.3	172.5	-54.5	0	0	0	0	111.8	I49 M55 T57	I49-T53 WeakPolarHBondContact O-CB 3.34Å; I49-T53 PolarHBondContact O-N 2.99Å; I49-T53 PolarHBondContact O-OG1 3.19Å; T53-M55 VanDerWaalsContact C-N 3.32Å; T53-M55 PolarHBondContact O-N 3.41Å; T53-T57 WeakPolarHBondContact O-CB 3.47Å; T53-T57 PolarHBondContact O-N 3.17Å; T53-T57 PolarHBondContact O-OG1 3.11Å
54	K	54.1	Low	58.3	Low	141 Å²	141	103.8 Å²	103.8	61%	0.613	51%	0.506	S	S	*	.	H	α-helix	trans	-71.4	-23.1	175.4	-175.1	175.8	-177.9	-177.5	0	112.9	S50 Q51 D52 T57 K58	S50-K54 WeakPolarHBondContact O-CB 3.25Å; S50-K54 PolarHBondContact O-N 2.93Å; Q51-K54 CarbonylContact O-C 3.27Å; Q51-K54 PolarHBondContact O-N 3.24Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 PolarHBondContact O-N 2.89Å; K54-T57 CarbonylContact O-C 3.37Å; K54-K58 WeakPolarHBondContact O-CB 3.47Å; K54-K58 PolarHBondContact O-N 3.09Å
55	M	53	Low	59	Low	45 Å²	45	101 Å²	101	22%	0.222	50%	0.499	C	S	.	.	H	α-helix	trans	-84.3	-38.2	176.1	-168.8	120	85	0	0	111.3	Q51 D52 T53 T57 K58 L59 A108	Q51-M55 WeakPolarHBondContact O-CB 3.38Å; Q51-M55 PolarHBondContact O-N 2.94Å; D52-M55 CarbonylContact O-C 3.45Å; D52-M55 PolarHBondContact O-N 3.07Å; T53-M55 VanDerWaalsContact C-N 3.32Å; T53-M55 PolarHBondContact O-N 3.41Å; M55-T57 VanDerWaalsContact C-N 3.33Å; M55-K58 CarbonylContact O-C 3.53Å; M55-K58 VanDerWaalsContact O-C 3.27Å; M55-K58 WeakPolarHBondContact O-CA 3.24Å; M55-K58 PolarHBondContact O-N 2.56Å; M55-L59 PolarHBondContact O-N 3.23Å; M55-A108 HydrophobicContact CE-CB 4.45Å
56	E	50.3	Low	59.8	Low	105 Å²	105	94.8 Å²	94.8	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-42.9	165	-71	178.4	138.1	0	0	110.5	D52 K58 L59	D52-E56 WeakPolarHBondContact O-CB 3.39Å; D52-E56 WeakPolarHBondContact O-CG 3.48Å; D52-E56 PolarHBondContact O-N 3.34Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-L59 WeakPolarHBondContact O-CB 3.33Å; E56-L59 WeakPolarHBondContact O-CD1 3.36Å; E56-L59 WeakPolarHBondContact O-CG 3.47Å; E56-L59 PolarHBondContact O-N 3.3Å
57	T	41.1	Very low	60.6	Low	106 Å²	106	88.5 Å²	88.5	65%	0.65	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	174.7	-43.2	0	0	0	0	112.9	T53 K54 M55 L59	T53-T57 WeakPolarHBondContact O-CB 3.47Å; T53-T57 PolarHBondContact O-N 3.17Å; T53-T57 PolarHBondContact O-OG1 3.11Å; K54-T57 CarbonylContact O-C 3.37Å; M55-T57 VanDerWaalsContact C-N 3.33Å; T57-L59 PolarHBondContact O-N 2.98Å
58	K	44.1	Very low	61.6	Low	114 Å²	114	91.4 Å²	91.4	50%	0.496	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	19.7	159.2	-111.4	-170.8	176.1	-163.6	0	110.9	K54 M55 E56 E60 D111	K54-K58 WeakPolarHBondContact O-CB 3.47Å; K54-K58 PolarHBondContact O-N 3.09Å; M55-K58 CarbonylContact O-C 3.53Å; M55-K58 VanDerWaalsContact O-C 3.27Å; M55-K58 WeakPolarHBondContact O-CA 3.24Å; M55-K58 PolarHBondContact O-N 2.56Å; E56-K58 VanDerWaalsContact C-N 3.32Å; K58-E60 PolarHBondContact O-N 2.88Å; K58-D111 IonicContact NZ-OD1 2.79Å; K58-D111 PolarHBondContact NZ-OD1 3.07Å
59	L	49.3	Very low	62.6	Low	85 Å²	85	91 Å²	91	45%	0.445	48%	0.481	S	S	.	.	S	Bend	trans	-47.4	92	132.6	-85.2	165.2	0	0	0	106.5	M55 E56 T57 T61 N88	M55-L59 PolarHBondContact O-N 3.23Å; E56-L59 WeakPolarHBondContact O-CB 3.33Å; E56-L59 WeakPolarHBondContact O-CD1 3.36Å; E56-L59 WeakPolarHBondContact O-CG 3.47Å; E56-L59 PolarHBondContact O-N 3.3Å; T57-L59 PolarHBondContact O-N 2.98Å; L59-T61 PolarHBondContact O-N 2.63Å; L59-T61 VanDerWaalsContact O-N 3.13Å; L59-N88 HydrophobicContact CD2-CB 4.47Å
60	E	52.5	Low	64.1	Low	91 Å²	91	86.6 Å²	86.6	43%	0.425	46%	0.458	S	S	.	.			trans	-47.3	126.1	167.7	-69.6	-179.4	-131.1	0	0	106	K58 C62 P84 R87	K58-E60 PolarHBondContact O-N 2.88Å; E60-C62 PolarHBondContact O-N 2.71Å; E60-P84 HydrophobicContact CB-CB 4.48Å; E60-P84 VanDerWaalsContact CD-CB 3.5Å; E60-P84 WeakPolarHBondContact OE2-CB 3.42Å; E60-P84 VanDerWaalsContact OE2-CG 3.28Å; E60-P84 WeakPolarHBondContact OE2-CG 3.32Å; E60-R87 IonicContact OE1-CZ 3.6Å; E60-R87 IonicContact OE1-NH2 2.67Å; E60-R87 PolarHBondContact OE1-NH2 3.38Å
61	T	48.8	Very low	65.5	Low	147 Å²	147	89.7 Å²	89.7	90%	0.902	46%	0.459	S	S	*	.			trans	-69.9	66.1	-177.8	-40	0	0	0	0	108.9	L59	L59-T61 PolarHBondContact O-N 2.63Å; L59-T61 VanDerWaalsContact O-N 3.13Å
62	C	57.4	Low	67.1	Low	44 Å²	44	90 Å²	90	30%	0.297	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-71.5	131.2	-169.9	-87.2	0	0	0	0	108.6	E60 A85	E60-C62 PolarHBondContact O-N 2.71Å; C62-A85 HydrophobicContact CB-CB 4.06Å
63	P	68.6	Low	68.9	Low	113 Å²	113	87.4 Å²	87.4	73%	0.734	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-54.6	149.3	160.8	26.4	-33	0	0	0	108.7	P65	P63-P65 VanDerWaalsContact O-N 3.16Å
64	K	75.9	Confident	70.8	Confident	204 Å²	204	86.5 Å²	86.5	89%	0.887	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-53.3	125.3	176.2	-76.5	-178.8	175.8	177.9	0	108.5	S66	K64-S66 PolarHBondContact O-N 2.67Å
65	P	81.9	Confident	72.8	Confident	31 Å²	31	85.5 Å²	85.5	20%	0.201	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-62.9	139.6	-176	24.5	-32.4	0	0	0	109.9	P63 I70 W73 A85	P63-P65 VanDerWaalsContact O-N 3.16Å; P65-I70 HydrophobicContact CB-CD1 4.48Å; P65-I70 HydrophobicContact CB-CG1 4.1Å; P65-I70 HydrophobicContact CG-CD1 4.25Å; P65-I70 HydrophobicContact CG-CG1 4.12Å; P65-W73 HydrophobicContact CB-CH2 4.01Å; P65-W73 HydrophobicContact CB-CZ2 3.68Å; P65-W73 HydrophobicContact CG-CH2 3.68Å; P65-W73 HydrophobicContact CG-CZ2 3.89Å; P65-A85 HydrophobicContact CB-CB 3.84Å; P65-A85 HydrophobicContact CG-CB 3.94Å
66	S	85.5	Confident	74.8	Confident	54 Å²	54	85 Å²	85	38%	0.378	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-66.5	157.4	175.9	64.9	0	0	0	0	111.3	K64 E68 E69 I70	K64-S66 PolarHBondContact O-N 2.67Å; S66-E68 PolarHBondContact O-N 3.4Å; S66-E69 WeakPolarHBondContact CB-OE2 3.37Å; S66-E69 PolarHBondContact N-OE2 2.67Å; S66-E69 PolarHBondContact O-N 2.83Å; S66-E69 VanDerWaalsContact OG-CG 3.26Å; S66-E69 WeakPolarHBondContact OG-CG 3.2Å; S66-E69 PolarHBondContact OG-N 3.43Å; S66-E69 PolarHBondContact OG-OE2 3.3Å; S66-I70 WeakPolarHBondContact O-CD1 3.43Å; S66-I70 VanDerWaalsContact O-CG1 3.32Å; S66-I70 WeakPolarHBondContact O-CG1 3.35Å; S66-I70 PolarHBondContact O-N 3.47Å
67	V	85.2	Confident	77.1	Confident	42 Å²	42	80 Å²	80	26%	0.255	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-33.1	177.5	-165.8	0	0	0	0	111.5	R71 G195	V67-R71 VanDerWaalsContact O-CG 3.25Å; V67-R71 WeakPolarHBondContact O-CG 3.42Å; V67-R71 PolarHBondContact O-N 3.32Å; V67-G195 VanDerWaalsContact CG2-CA 3.49Å
68	E	86.1	Confident	79.8	Confident	150 Å²	150	78.1 Å²	78.1	70%	0.701	41%	0.405	S	S	*	.	H	α-helix	trans	-69.2	-45.8	177	-172.8	160.8	-158.2	0	0	111.7	S66 I70 R71 M72	S66-E68 PolarHBondContact O-N 3.4Å; E68-I70 PolarHBondContact O-N 2.72Å; E68-R71 CarbonylContact O-C 3.59Å; E68-R71 WeakPolarHBondContact O-CB 3.25Å; E68-R71 PolarHBondContact O-N 2.82Å; E68-R71 VanDerWaalsContact O-N 3.16Å; E68-M72 WeakPolarHBondContact O-CG 3.43Å; E68-M72 PolarHBondContact O-N 3.36Å
69	E	87.7	Confident	82.3	Confident	67 Å²	67	76.2 Å²	76.2	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-58.4	-45.8	172.6	-72.8	167.4	98.1	0	0	112	S66 R71 M72 W73 N83	S66-E69 WeakPolarHBondContact CB-OE2 3.37Å; S66-E69 PolarHBondContact N-OE2 2.67Å; S66-E69 PolarHBondContact O-N 2.83Å; S66-E69 VanDerWaalsContact OG-CG 3.26Å; S66-E69 WeakPolarHBondContact OG-CG 3.2Å; S66-E69 PolarHBondContact OG-N 3.43Å; S66-E69 PolarHBondContact OG-OE2 3.3Å; E69-R71 VanDerWaalsContact C-N 3.27Å; E69-R71 PolarHBondContact O-N 2.87Å; E69-M72 WeakPolarHBondContact O-CA 3.42Å; E69-M72 WeakPolarHBondContact O-CB 3.17Å; E69-M72 PolarHBondContact O-N 2.78Å; E69-W73 PolarHBondContact O-N 2.91Å; E69-W73 VanDerWaalsContact O-N 3.14Å; E69-W73 PolarHBondContact O-NE1 3.27Å; E69-N83 PolarHBondContact OE1-ND2 2.82Å
70	I	90.9	Very high	84.5	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-58.4	-41.9	177.4	-62.5	157.5	0	0	0	110	P65 S66 E68 M72 W73 Y188 L191 V192	P65-I70 HydrophobicContact CB-CD1 4.48Å; P65-I70 HydrophobicContact CB-CG1 4.1Å; P65-I70 HydrophobicContact CG-CD1 4.25Å; P65-I70 HydrophobicContact CG-CG1 4.12Å; S66-I70 WeakPolarHBondContact O-CD1 3.43Å; S66-I70 VanDerWaalsContact O-CG1 3.32Å; S66-I70 WeakPolarHBondContact O-CG1 3.35Å; S66-I70 PolarHBondContact O-N 3.47Å; E68-I70 PolarHBondContact O-N 2.72Å; I70-M72 VanDerWaalsContact C-N 3.33Å; I70-M72 PolarHBondContact O-N 3.05Å; I70-W73 HydrophobicContact CB-CE3 4.45Å; I70-W73 HydrophobicContact CG1-CE3 4.44Å; I70-W73 HydrophobicContact CG1-CH2 3.96Å; I70-W73 HydrophobicContact CG1-CZ2 4.22Å; I70-W73 HydrophobicContact CG1-CZ3 4.06Å; I70-W73 HydrophobicContact CG2-CE3 4.22Å; I70-W73 HydrophobicContact CG2-CZ3 4.34Å; I70-W73 WeakPolarHBondContact O-CB 3.35Å; I70-W73 PolarHBondContact O-N 3.03Å; I70-Y188 HydrophobicContact CG2-CD2 4.31Å; I70-Y188 HydrophobicContact CG2-CE2 3.67Å; I70-Y188 PolarHBondContact O-OH 3.21Å; I70-L191 HydrophobicContact CD1-CB 4.05Å; I70-L191 HydrophobicContact CG2-CB 4.15Å; I70-V192 HydrophobicContact CG2-CG2 3.63Å
71	R	91.1	Very high	86.6	Confident	139 Å²	139	68 Å²	68	53%	0.525	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-28.8	174.5	-72.6	171.3	-178.3	-171.2	3.1	113.5	V67 E68 E69 W73 S74	V67-R71 VanDerWaalsContact O-CG 3.25Å; V67-R71 WeakPolarHBondContact O-CG 3.42Å; V67-R71 PolarHBondContact O-N 3.32Å; E68-R71 CarbonylContact O-C 3.59Å; E68-R71 WeakPolarHBondContact O-CB 3.25Å; E68-R71 PolarHBondContact O-N 2.82Å; E68-R71 VanDerWaalsContact O-N 3.16Å; E69-R71 VanDerWaalsContact C-N 3.27Å; E69-R71 PolarHBondContact O-N 2.87Å; R71-W73 VanDerWaalsContact C-N 3.3Å; R71-S74 PolarHBondContact O-OG 3.01Å; R71-S74 VanDerWaalsContact O-OG 3.12Å
72	M	93.6	Very high	88.7	Confident	79 Å²	79	70.2 Å²	70.2	39%	0.389	35%	0.348	S	S	.	.	H	α-helix	trans	-68.2	-31.3	173.1	-68.7	-175.1	81.5	0	0	111.9	E68 E69 I70 S74 Q75 K79	E68-M72 WeakPolarHBondContact O-CG 3.43Å; E68-M72 PolarHBondContact O-N 3.36Å; E69-M72 WeakPolarHBondContact O-CA 3.42Å; E69-M72 WeakPolarHBondContact O-CB 3.17Å; E69-M72 PolarHBondContact O-N 2.78Å; I70-M72 VanDerWaalsContact C-N 3.33Å; I70-M72 PolarHBondContact O-N 3.05Å; M72-S74 VanDerWaalsContact C-N 3.28Å; M72-S74 PolarHBondContact O-N 3.1Å; M72-Q75 WeakPolarHBondContact O-CB 3.35Å; M72-Q75 PolarHBondContact O-N 3.19Å; M72-K79 HydrophobicContact CB-CD 4.35Å; M72-K79 HydrophobicContact CE-CD 4.29Å; M72-K79 WeakPolarHBondContact O-CB 3.23Å; M72-K79 WeakPolarHBondContact O-CD 3.41Å
73	W	95	Very high	90.4	Very high	1 Å²	1	69.3 Å²	69.3	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-29.8	-179.5	-58	-11.4	0	0	0	113.8	P65 E69 I70 R71 Q75 L80 A85 G86 V89 Y179 F182 Y188 L191	P65-W73 HydrophobicContact CB-CH2 4.01Å; P65-W73 HydrophobicContact CB-CZ2 3.68Å; P65-W73 HydrophobicContact CG-CH2 3.68Å; P65-W73 HydrophobicContact CG-CZ2 3.89Å; E69-W73 PolarHBondContact O-N 2.91Å; E69-W73 VanDerWaalsContact O-N 3.14Å; E69-W73 PolarHBondContact O-NE1 3.27Å; I70-W73 HydrophobicContact CB-CE3 4.45Å; I70-W73 HydrophobicContact CG1-CE3 4.44Å; I70-W73 HydrophobicContact CG1-CH2 3.96Å; I70-W73 HydrophobicContact CG1-CZ2 4.22Å; I70-W73 HydrophobicContact CG1-CZ3 4.06Å; I70-W73 HydrophobicContact CG2-CE3 4.22Å; I70-W73 HydrophobicContact CG2-CZ3 4.34Å; I70-W73 WeakPolarHBondContact O-CB 3.35Å; I70-W73 PolarHBondContact O-N 3.03Å; R71-W73 VanDerWaalsContact C-N 3.3Å; W73-Q75 VanDerWaalsContact C-N 3.34Å; W73-L80 HydrophobicContact CB-CB 4.12Å; W73-L80 HydrophobicContact CB-CD1 3.8Å; W73-L80 HydrophobicContact CD2-CD1 3.75Å; W73-L80 HydrophobicContact CE3-CD1 3.95Å; W73-L80 HydrophobicContact CG-CB 4.42Å; W73-L80 HydrophobicContact CG-CD1 3.67Å; W73-A85 HydrophobicContact CZ2-CB 4.21Å; W73-G86 VanDerWaalsContact CE2-CA 3.46Å; W73-G86 VanDerWaalsContact CZ2-N 3.27Å; W73-V89 HydrophobicContact CH2-CB 4.26Å; W73-V89 HydrophobicContact CH2-CG2 4Å; W73-V89 HydrophobicContact CZ3-CB 4.08Å; W73-V89 HydrophobicContact CZ3-CG1 4.13Å; W73-V89 HydrophobicContact CZ3-CG2 4.21Å; W73-Y179 WeakPolarHBondContact O-CE2 3.39Å; W73-Y179 PolarHBondContact O-OH 3.46Å; W73-F182 HydrophobicContact CE3-CZ 4.35Å; W73-Y188 HydrophobicContact CB-CE2 4.39Å; W73-Y188 HydrophobicContact CE3-CD2 4.29Å; W73-Y188 HydrophobicContact CE3-CE2 4.12Å; W73-L191 HydrophobicContact CZ3-CD1 4.14Å
74	S	94.8	Very high	91.6	Very high	52 Å²	52	65.6 Å²	65.6	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.2	175	52.4	0	0	0	0	114.5	R71 M72 Y179 Y188	R71-S74 PolarHBondContact O-OG 3.01Å; R71-S74 VanDerWaalsContact O-OG 3.12Å; M72-S74 VanDerWaalsContact C-N 3.28Å; M72-S74 PolarHBondContact O-N 3.1Å; S74-Y179 PolarHBondContact O-OH 3.3Å; S74-Y188 VanDerWaalsContact CB-OH 3.28Å; S74-Y188 WeakPolarHBondContact CB-OH 3.16Å; S74-Y188 PolarHBondContact OG-OH 3.47Å
75	Q	95.3	Very high	92.3	Very high	119 Å²	119	56.2 Å²	56.2	56%	0.556	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-31.8	-177.5	-63.2	174.2	18.6	0	0	112.6	M72 W73 K79	M72-Q75 WeakPolarHBondContact O-CB 3.35Å; M72-Q75 PolarHBondContact O-N 3.19Å; W73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-K79 HydrophobicContact CB-CD 3.92Å
76	S	96.5	Very high	92.9	Very high	35 Å²	35	54.7 Å²	54.7	25%	0.245	27%	0.267	C	S	.	.			trans	-162.6	153	167.4	71.8	0	0	0	0	111.5	D78 K79 L80 Y179	S76-D78 PolarHBondContact O-N 2.92Å; S76-K79 WeakPolarHBondContact O-CB 3Å; S76-K79 PolarHBondContact O-N 2.88Å; S76-K79 WeakPolarHBondContact OG-CG 3.44Å; S76-K79 PolarHBondContact OG-N 3.25Å; S76-L80 PolarHBondContact O-N 3.36Å; S76-Y179 VanDerWaalsContact C-OH 3.29Å
77	F	97.8	Very high	93.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-32.6	175.3	-171.6	-124.4	0	0	0	112.2	K79 L80 M81 F90 Y171 M174 H175 Y179	F77-K79 VanDerWaalsContact C-N 3.3Å; F77-K79 PolarHBondContact O-N 3.35Å; F77-L80 HydrophobicContact CD2-CD2 3.95Å; F77-L80 HydrophobicContact CE2-CD2 4.02Å; F77-L80 PolarHBondContact O-N 2.83Å; F77-M81 HydrophobicContact CD1-CG 4.04Å; F77-M81 HydrophobicContact CD2-CG 4.02Å; F77-M81 HydrophobicContact CE1-CG 3.73Å; F77-M81 HydrophobicContact CE1-SD 4.28Å; F77-M81 HydrophobicContact CE2-CG 3.71Å; F77-M81 HydrophobicContact CE2-SD 3.86Å; F77-M81 HydrophobicContact CG-CG 4.18Å; F77-M81 HydrophobicContact CZ-CE 4.45Å; F77-M81 HydrophobicContact CZ-CG 3.55Å; F77-M81 HydrophobicContact CZ-SD 3.6Å; F77-M81 WeakPolarHBondContact O-CB 3.2Å; F77-M81 VanDerWaalsContact O-CG 3.28Å; F77-M81 WeakPolarHBondContact O-CG 3.41Å; F77-M81 PolarHBondContact O-N 3.1Å; F77-F90 HydrophobicContact CE2-CD1 4.06Å; F77-F90 AromaticContact CE2-CE1 3.47Å; F77-F90 HydrophobicContact CE2-CE1 3.47Å; F77-F90 VanDerWaalsContact CE2-CE1 3.47Å; F77-F90 AromaticContact CE2-CZ 3.88Å; F77-F90 HydrophobicContact CE2-CZ 3.88Å; F77-F90 AromaticContact CZ-CE1 3.78Å; F77-F90 HydrophobicContact CZ-CE1 3.78Å; F77-F90 HydrophobicContact CZ-CZ 4.36Å; F77-Y171 HydrophobicContact CD1-CD1 4.29Å; F77-Y171 HydrophobicContact CD1-CD2 4.2Å; F77-Y171 AromaticContact CD1-CE1 3.7Å; F77-Y171 HydrophobicContact CD1-CE1 3.7Å; F77-Y171 AromaticContact CD1-CE2 3.63Å; F77-Y171 HydrophobicContact CD1-CE2 3.63Å; F77-Y171 AromaticContact CD1-CZ 3.33Å; F77-Y171 WeakPolarHBondContact CD1-OH 3.43Å; F77-Y171 HydrophobicContact CE1-CD1 4.22Å; F77-Y171 AromaticContact CE1-CD2 3.65Å; F77-Y171 HydrophobicContact CE1-CD2 3.65Å; F77-Y171 HydrophobicContact CE1-CE1 4.05Å; F77-Y171 AromaticContact CE1-CE2 3.49Å; F77-Y171 HydrophobicContact CE1-CE2 3.49Å; F77-Y171 VanDerWaalsContact CE1-CE2 3.49Å; F77-Y171 HydrophobicContact CE1-CG 4.02Å; F77-Y171 AromaticContact CE1-CZ 3.69Å; F77-Y171 WeakPolarHBondContact CE1-O 3.46Å; F77-M174 HydrophobicContact CE1-CB 4.26Å; F77-M174 HydrophobicContact CZ-CB 3.69Å; F77-M174 HydrophobicContact CZ-CE 4.4Å; F77-H175 HydrophobicContact CB-CB 4.45Å; F77-H175 WeakPolarHBondContact CB-CD2 3.29Å; F77-H175 HydrophobicContact CD1-CB 3.46Å; F77-H175 VanDerWaalsContact CD1-CB 3.46Å; F77-H175 AromaticContact CD1-CG 3.76Å; F77-H175 HydrophobicContact CE1-CB 3.82Å; F77-H175 HydrophobicContact CG-CB 4.03Å; F77-H175 AromaticContact CG-CD2 3.84Å; F77-Y179 HydrophobicContact CB-CD1 4.11Å; F77-Y179 HydrophobicContact CB-CE1 4.04Å; F77-Y179 HydrophobicContact CB-CE2 4.45Å; F77-Y179 HydrophobicContact CB-CG 4.33Å; F77-Y179 HydrophobicContact CD2-CD1 4.19Å; F77-Y179 AromaticContact CD2-CD2 3.51Å; F77-Y179 HydrophobicContact CD2-CD2 3.51Å; F77-Y179 HydrophobicContact CD2-CE2 4.05Å; F77-Y179 AromaticContact CD2-CG 3.56Å; F77-Y179 HydrophobicContact CD2-CG 3.56Å; F77-Y179 HydrophobicContact CE2-CD2 4.2Å; F77-Y179 HydrophobicContact CE2-CG 4.24Å; F77-Y179 HydrophobicContact CG-CD1 4.45Å; F77-Y179 HydrophobicContact CG-CD2 4.45Å; F77-Y179 HydrophobicContact CG-CG 4.25Å; F77-Y179 PolarHBondContact N-OH 3.38Å
78	D	97.1	Very high	93.9	Very high	67 Å²	67	53.2 Å²	53.2	36%	0.358	25%	0.251	S	S	.	.	H	α-helix	trans	-57.3	-39.2	171	-58.7	-90.4	0	0	0	113.4	S76 M81 R82 Y171	S76-D78 PolarHBondContact O-N 2.92Å; D78-M81 PolarHBondContact O-N 3.06Å; D78-R82 WeakPolarHBondContact O-CB 3.48Å; D78-R82 WeakPolarHBondContact O-CD 3.47Å; D78-R82 WeakPolarHBondContact O-CG 3.3Å; D78-R82 PolarHBondContact O-N 2.63Å; D78-Y171 PolarHBondContact N-OH 3.33Å; D78-Y171 PolarHBondContact OD1-OH 3.49Å
79	K	96.4	Very high	94.3	Very high	74 Å²	74	47 Å²	47	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-69.3	-41	179.2	-76.1	170.1	172.8	176.3	0	111.2	M72 Q75 S76 F77 N83	M72-K79 HydrophobicContact CB-CD 4.35Å; M72-K79 HydrophobicContact CE-CD 4.29Å; M72-K79 WeakPolarHBondContact O-CB 3.23Å; M72-K79 WeakPolarHBondContact O-CD 3.41Å; Q75-K79 HydrophobicContact CB-CD 3.92Å; S76-K79 WeakPolarHBondContact O-CB 3Å; S76-K79 PolarHBondContact O-N 2.88Å; S76-K79 WeakPolarHBondContact OG-CG 3.44Å; S76-K79 PolarHBondContact OG-N 3.25Å; F77-K79 VanDerWaalsContact C-N 3.3Å; F77-K79 PolarHBondContact O-N 3.35Å; K79-N83 PolarHBondContact O-N 2.87Å
80	L	96.6	Very high	94.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-49.3	171.7	177.2	68.3	0	0	0	111.4	W73 S76 F77 N83 G86 F90 Y179 F182	W73-L80 HydrophobicContact CB-CB 4.12Å; W73-L80 HydrophobicContact CB-CD1 3.8Å; W73-L80 HydrophobicContact CD2-CD1 3.75Å; W73-L80 HydrophobicContact CE3-CD1 3.95Å; W73-L80 HydrophobicContact CG-CB 4.42Å; W73-L80 HydrophobicContact CG-CD1 3.67Å; S76-L80 PolarHBondContact O-N 3.36Å; F77-L80 HydrophobicContact CD2-CD2 3.95Å; F77-L80 HydrophobicContact CE2-CD2 4.02Å; F77-L80 PolarHBondContact O-N 2.83Å; L80-N83 PolarHBondContact O-N 3.47Å; L80-N83 VanDerWaalsContact O-O 3.05Å; L80-G86 WeakPolarHBondContact CD1-O 3.46Å; L80-F90 HydrophobicContact CD1-CB 4.31Å; L80-F90 HydrophobicContact CD2-CB 3.98Å; L80-F90 HydrophobicContact CD2-CD1 4.05Å; L80-F90 HydrophobicContact CD2-CD2 4.2Å; L80-F90 HydrophobicContact CD2-CG 3.82Å; L80-F90 HydrophobicContact CG-CB 4.4Å; L80-Y179 HydrophobicContact CB-CE2 4.42Å; L80-Y179 HydrophobicContact CD2-CD2 3.6Å; L80-Y179 HydrophobicContact CD2-CE2 3.79Å; L80-F182 HydrophobicContact CD1-CE1 3.91Å; L80-F182 HydrophobicContact CD1-CZ 4.44Å; L80-F182 HydrophobicContact CD2-CD1 4.02Å; L80-F182 HydrophobicContact CD2-CE1 3.94Å
81	M	96.4	Very high	95	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-73	-28.8	-173.3	-69.8	-64.7	-68	0	0	113.7	F77 D78 R87 F90 M103 W106 Y171 M174	F77-M81 HydrophobicContact CD1-CG 4.04Å; F77-M81 HydrophobicContact CD2-CG 4.02Å; F77-M81 HydrophobicContact CE1-CG 3.73Å; F77-M81 HydrophobicContact CE1-SD 4.28Å; F77-M81 HydrophobicContact CE2-CG 3.71Å; F77-M81 HydrophobicContact CE2-SD 3.86Å; F77-M81 HydrophobicContact CG-CG 4.18Å; F77-M81 HydrophobicContact CZ-CE 4.45Å; F77-M81 HydrophobicContact CZ-CG 3.55Å; F77-M81 HydrophobicContact CZ-SD 3.6Å; F77-M81 WeakPolarHBondContact O-CB 3.2Å; F77-M81 VanDerWaalsContact O-CG 3.28Å; F77-M81 WeakPolarHBondContact O-CG 3.41Å; F77-M81 PolarHBondContact O-N 3.1Å; D78-M81 PolarHBondContact O-N 3.06Å; M81-R87 VanDerWaalsContact O-CD 3.24Å; M81-R87 WeakPolarHBondContact O-CD 3.42Å; M81-R87 VanDerWaalsContact O-CG 3.28Å; M81-R87 WeakPolarHBondContact O-CG 3.34Å; M81-R87 PolarHBondContact O-NH1 2.84Å; M81-R87 HydrophobicContact SD-CG 4.49Å; M81-F90 HydrophobicContact SD-CD1 4.27Å; M81-M103 HydrophobicContact CE-CE 3.7Å; M81-M103 HydrophobicContact CE-SD 4.07Å; M81-M103 HydrophobicContact SD-CE 3.47Å; M81-M103 WeakPolarHBondContact SD-CE 3.5Å; M81-M103 HydrophobicContact SD-SD 4.49Å; M81-W106 HydrophobicContact CE-CD2 3.41Å; M81-W106 VanDerWaalsContact CE-CD2 3.41Å; M81-W106 HydrophobicContact CE-CE3 3.48Å; M81-W106 VanDerWaalsContact CE-CE3 3.48Å; M81-W106 HydrophobicContact CE-CG 4Å; M81-W106 HydrophobicContact CE-CH2 3.98Å; M81-W106 HydrophobicContact CE-CZ2 3.91Å; M81-W106 HydrophobicContact CE-CZ3 3.77Å; M81-Y171 HydrophobicContact CB-CE2 4.16Å; M81-Y171 HydrophobicContact CE-CD2 4.41Å; M81-Y171 HydrophobicContact CG-CE2 3.84Å; M81-M174 HydrophobicContact CE-CE 4.21Å
82	R	93.9	Very high	95.3	Very high	192 Å²	192	44.1 Å²	44.1	73%	0.725	21%	0.214	S	C	*	.	H	α-helix	trans	-72.3	-34.8	172.7	-72.2	170.6	-167.9	177.4	7.3	112.3	D78 P84 R87	D78-R82 WeakPolarHBondContact O-CB 3.48Å; D78-R82 WeakPolarHBondContact O-CD 3.47Å; D78-R82 WeakPolarHBondContact O-CG 3.3Å; D78-R82 PolarHBondContact O-N 2.63Å; R82-P84 WeakPolarHBondContact O-CD 3.3Å; R82-R87 PolarHBondContact O-NH1 3.02Å
83	N	93.2	Very high	95.5	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.139	20%	0.197	C	C	.	.	S	Bend	trans	-77.8	121.7	179.5	-171.8	-63.5	0	0	0	111.1	E69 K79 L80 A85 G86 R87	E69-N83 PolarHBondContact OE1-ND2 2.82Å; K79-N83 PolarHBondContact O-N 2.87Å; L80-N83 PolarHBondContact O-N 3.47Å; L80-N83 VanDerWaalsContact O-O 3.05Å; N83-A85 PolarHBondContact O-N 3.41Å; N83-A85 WeakPolarHBondContact OD1-CA 3.35Å; N83-A85 WeakPolarHBondContact OD1-CB 3.47Å; N83-A85 PolarHBondContact OD1-N 3.42Å; N83-G86 WeakPolarHBondContact O-CA 3.41Å; N83-G86 PolarHBondContact O-N 3.05Å; N83-G86 VanDerWaalsContact O-N 3.14Å; N83-G86 PolarHBondContact OD1-N 3.26Å; N83-R87 PolarHBondContact O-N 2.86Å
84	P	92.1	Very high	95.6	Very high	35 Å²	35	40.7 Å²	40.7	23%	0.227	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-35.9	-177.8	-18.7	30.4	0	0	0	114.7	E60 R82 G86 R87 N88	E60-P84 HydrophobicContact CB-CB 4.48Å; E60-P84 VanDerWaalsContact CD-CB 3.5Å; E60-P84 WeakPolarHBondContact OE2-CB 3.42Å; E60-P84 VanDerWaalsContact OE2-CG 3.28Å; E60-P84 WeakPolarHBondContact OE2-CG 3.32Å; R82-P84 WeakPolarHBondContact O-CD 3.3Å; P84-G86 VanDerWaalsContact C-N 3.28Å; P84-G86 PolarHBondContact O-N 2.93Å; P84-R87 PolarHBondContact O-N 3.17Å; P84-N88 PolarHBondContact O-N 2.68Å; P84-N88 PolarHBondContact O-ND2 3.42Å
85	A	92.1	Very high	95.7	Very high	6 Å²	6	45 Å²	45	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-35.9	172.6	0	0	0	0	0	111	C62 P65 W73 N83 N88 V89	C62-A85 HydrophobicContact CB-CB 4.06Å; P65-A85 HydrophobicContact CB-CB 3.84Å; P65-A85 HydrophobicContact CG-CB 3.94Å; W73-A85 HydrophobicContact CZ2-CB 4.21Å; N83-A85 PolarHBondContact O-N 3.41Å; N83-A85 WeakPolarHBondContact OD1-CA 3.35Å; N83-A85 WeakPolarHBondContact OD1-CB 3.47Å; N83-A85 PolarHBondContact OD1-N 3.42Å; A85-N88 PolarHBondContact O-N 3Å; A85-V89 WeakPolarHBondContact O-CG2 3.4Å; A85-V89 PolarHBondContact O-N 3.21Å
86	G	94.6	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-51.4	170.4	0	0	0	0	0	112.4	W73 L80 N83 P84 N88 V89 F90	W73-G86 VanDerWaalsContact CE2-CA 3.46Å; W73-G86 VanDerWaalsContact CZ2-N 3.27Å; L80-G86 WeakPolarHBondContact CD1-O 3.46Å; N83-G86 WeakPolarHBondContact O-CA 3.41Å; N83-G86 PolarHBondContact O-N 3.05Å; N83-G86 VanDerWaalsContact O-N 3.14Å; N83-G86 PolarHBondContact OD1-N 3.26Å; P84-G86 VanDerWaalsContact C-N 3.28Å; P84-G86 PolarHBondContact O-N 2.93Å; G86-N88 VanDerWaalsContact C-N 3.32Å; G86-N88 PolarHBondContact O-N 3.4Å; G86-V89 PolarHBondContact O-N 2.97Å; G86-F90 VanDerWaalsContact O-CB 3.31Å; G86-F90 WeakPolarHBondContact O-CB 3.25Å; G86-F90 PolarHBondContact O-N 3.4Å
87	R	96.5	Very high	95.7	Very high	33 Å²	33	44.2 Å²	44.2	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-56.2	-43.8	173.9	-66.6	-167.5	-63	-87.1	5.1	112.5	E60 M81 R82 N83 P84 F90 R91 M103	E60-R87 IonicContact OE1-CZ 3.6Å; E60-R87 IonicContact OE1-NH2 2.67Å; E60-R87 PolarHBondContact OE1-NH2 3.38Å; M81-R87 VanDerWaalsContact O-CD 3.24Å; M81-R87 WeakPolarHBondContact O-CD 3.42Å; M81-R87 VanDerWaalsContact O-CG 3.28Å; M81-R87 WeakPolarHBondContact O-CG 3.34Å; M81-R87 PolarHBondContact O-NH1 2.84Å; M81-R87 HydrophobicContact SD-CG 4.49Å; R82-R87 PolarHBondContact O-NH1 3.02Å; N83-R87 PolarHBondContact O-N 2.86Å; P84-R87 PolarHBondContact O-N 3.17Å; R87-F90 PolarHBondContact O-N 2.71Å; R87-R91 WeakPolarHBondContact O-CB 3.4Å; R87-R91 PolarHBondContact O-N 2.77Å; R87-M103 HydrophobicContact CB-SD 4.41Å
88	N	93.6	Very high	95.6	Very high	32 Å²	32	54.3 Å²	54.3	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-48.8	-179.5	-74.7	-22.8	0	0	0	112.2	L59 P84 A85 G86 R91 E92	L59-N88 HydrophobicContact CD2-CB 4.47Å; P84-N88 PolarHBondContact O-N 2.68Å; P84-N88 PolarHBondContact O-ND2 3.42Å; A85-N88 PolarHBondContact O-N 3Å; G86-N88 VanDerWaalsContact C-N 3.32Å; G86-N88 PolarHBondContact O-N 3.4Å; N88-R91 WeakPolarHBondContact O-CB 3.48Å; N88-R91 PolarHBondContact O-N 3.28Å; N88-E92 PolarHBondContact O-N 3.48Å
89	V	95.1	Very high	95.7	Very high	20 Å²	20	51.9 Å²	51.9	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-39.4	178.2	173	0	0	0	0	111.4	W73 A85 G86 R91 E92 F93 F182 I187 L191	W73-V89 HydrophobicContact CH2-CB 4.26Å; W73-V89 HydrophobicContact CH2-CG2 4Å; W73-V89 HydrophobicContact CZ3-CB 4.08Å; W73-V89 HydrophobicContact CZ3-CG1 4.13Å; W73-V89 HydrophobicContact CZ3-CG2 4.21Å; A85-V89 WeakPolarHBondContact O-CG2 3.4Å; A85-V89 PolarHBondContact O-N 3.21Å; G86-V89 PolarHBondContact O-N 2.97Å; V89-R91 VanDerWaalsContact C-N 3.35Å; V89-E92 WeakPolarHBondContact O-CB 3.49Å; V89-E92 PolarHBondContact O-N 3.43Å; V89-F93 PolarHBondContact O-N 3.38Å; V89-F93 VanDerWaalsContact O-N 3.07Å; V89-F182 HydrophobicContact CG1-CE2 3.77Å; V89-F182 HydrophobicContact CG1-CZ 3.85Å; V89-I187 HydrophobicContact CG1-CG2 3.82Å; V89-L191 HydrophobicContact CB-CD1 4.39Å; V89-L191 HydrophobicContact CG1-CD1 3.53Å; V89-L191 HydrophobicContact CG2-CD1 3.97Å
90	F	97.5	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-34.6	176.3	-176.1	-129.7	0	0	0	112	F77 L80 M81 G86 R87 F93 L94 M103 M174 F182	F77-F90 HydrophobicContact CE2-CD1 4.06Å; F77-F90 AromaticContact CE2-CE1 3.47Å; F77-F90 HydrophobicContact CE2-CE1 3.47Å; F77-F90 VanDerWaalsContact CE2-CE1 3.47Å; F77-F90 AromaticContact CE2-CZ 3.88Å; F77-F90 HydrophobicContact CE2-CZ 3.88Å; F77-F90 AromaticContact CZ-CE1 3.78Å; F77-F90 HydrophobicContact CZ-CE1 3.78Å; F77-F90 HydrophobicContact CZ-CZ 4.36Å; L80-F90 HydrophobicContact CD1-CB 4.31Å; L80-F90 HydrophobicContact CD2-CB 3.98Å; L80-F90 HydrophobicContact CD2-CD1 4.05Å; L80-F90 HydrophobicContact CD2-CD2 4.2Å; L80-F90 HydrophobicContact CD2-CG 3.82Å; L80-F90 HydrophobicContact CG-CB 4.4Å; M81-F90 HydrophobicContact SD-CD1 4.27Å; G86-F90 VanDerWaalsContact O-CB 3.31Å; G86-F90 WeakPolarHBondContact O-CB 3.25Å; G86-F90 PolarHBondContact O-N 3.4Å; R87-F90 PolarHBondContact O-N 2.71Å; F90-F93 AromaticContact CD2-CD1 3.97Å; F90-F93 HydrophobicContact CD2-CD1 3.97Å; F90-F93 AromaticContact CE2-CD1 3.9Å; F90-F93 HydrophobicContact CE2-CD1 3.9Å; F90-F93 HydrophobicContact CE2-CE1 4.28Å; F90-F93 WeakPolarHBondContact O-CB 3.45Å; F90-F93 PolarHBondContact O-N 3.01Å; F90-L94 HydrophobicContact CD1-CD1 4.03Å; F90-L94 HydrophobicContact CD2-CG 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.8Å; F90-L94 HydrophobicContact CE1-CG 4.33Å; F90-L94 HydrophobicContact CE2-CD2 4.24Å; F90-L94 HydrophobicContact CE2-CG 4.2Å; F90-L94 HydrophobicContact CG-CD1 4.47Å; F90-L94 HydrophobicContact CZ-CD1 4.08Å; F90-L94 HydrophobicContact CZ-CD2 4.02Å; F90-L94 HydrophobicContact CZ-CG 4.14Å; F90-L94 VanDerWaalsContact O-CG 3.3Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 2.74Å; F90-M103 HydrophobicContact CD1-CE 3.46Å; F90-M103 VanDerWaalsContact CD1-CE 3.46Å; F90-M103 HydrophobicContact CE1-CE 3.99Å; F90-M174 HydrophobicContact CE1-CB 4.15Å; F90-M174 HydrophobicContact CE1-CG 4.46Å; F90-M174 HydrophobicContact CE1-SD 3.99Å; F90-M174 HydrophobicContact CZ-CB 4.17Å; F90-F182 HydrophobicContact CD2-CB 3.75Å; F90-F182 AromaticContact CD2-CD1 3.91Å; F90-F182 HydrophobicContact CD2-CD1 3.91Å; F90-F182 HydrophobicContact CD2-CD2 4.01Å; F90-F182 AromaticContact CD2-CG 3.6Å; F90-F182 HydrophobicContact CD2-CG 3.6Å; F90-F182 HydrophobicContact CE2-CB 3.75Å; F90-F182 HydrophobicContact CE2-CG 4.12Å
91	R	96.9	Very high	95.8	Very high	35 Å²	35	52.5 Å²	52.5	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-41.4	171.1	-165.5	-176	72.7	-172.8	4.2	112.1	R87 N88 V89 F93 L94 R95 M103	R87-R91 WeakPolarHBondContact O-CB 3.4Å; R87-R91 PolarHBondContact O-N 2.77Å; N88-R91 WeakPolarHBondContact O-CB 3.48Å; N88-R91 PolarHBondContact O-N 3.28Å; V89-R91 VanDerWaalsContact C-N 3.35Å; R91-F93 VanDerWaalsContact C-N 3.33Å; R91-L94 PolarHBondContact O-N 3Å; R91-R95 PolarHBondContact O-N 2.71Å; R91-M103 HydrophobicContact CB-CG 4Å; R91-M103 HydrophobicContact CG-CB 4.31Å; R91-M103 HydrophobicContact CG-CG 3.96Å
92	E	95.6	Very high	95.9	Very high	117 Å²	117	52.7 Å²	52.7	55%	0.547	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-44.8	174.5	-176.4	178.3	-171.4	0	0	111.1	N88 V89 R95 T96	N88-E92 PolarHBondContact O-N 3.48Å; V89-E92 WeakPolarHBondContact O-CB 3.49Å; V89-E92 PolarHBondContact O-N 3.43Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 2.68Å; E92-T96 PolarHBondContact O-N 3.16Å
93	F	97.7	Very high	96.1	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-50	172.4	168.9	-94.4	0	0	0	112.6	V89 F90 R91 R95 T96 E97 S178 R181 F182 I187	V89-F93 PolarHBondContact O-N 3.38Å; V89-F93 VanDerWaalsContact O-N 3.07Å; F90-F93 AromaticContact CD2-CD1 3.97Å; F90-F93 HydrophobicContact CD2-CD1 3.97Å; F90-F93 AromaticContact CE2-CD1 3.9Å; F90-F93 HydrophobicContact CE2-CD1 3.9Å; F90-F93 HydrophobicContact CE2-CE1 4.28Å; F90-F93 WeakPolarHBondContact O-CB 3.45Å; F90-F93 PolarHBondContact O-N 3.01Å; R91-F93 VanDerWaalsContact C-N 3.33Å; F93-R95 PolarHBondContact O-N 2.88Å; F93-T96 WeakPolarHBondContact O-CA 3.41Å; F93-T96 WeakPolarHBondContact O-CB 3.5Å; F93-T96 PolarHBondContact O-N 2.61Å; F93-T96 PolarHBondContact O-OG1 2.89Å; F93-E97 HydrophobicContact CE1-CG 4.27Å; F93-E97 VanDerWaalsContact CE1-OE2 3.28Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.42Å; F93-E97 HydrophobicContact CE2-CG 4.23Å; F93-E97 HydrophobicContact CZ-CG 3.95Å; F93-E97 WeakPolarHBondContact CZ-OE1 3.29Å; F93-E97 VanDerWaalsContact CZ-OE2 3.22Å; F93-E97 WeakPolarHBondContact CZ-OE2 3.31Å; F93-E97 PolarHBondContact O-N 3.14Å; F93-S178 VanDerWaalsContact CE1-O 3.25Å; F93-S178 WeakPolarHBondContact CE1-O 3.44Å; F93-R181 HydrophobicContact CZ-CB 3.73Å; F93-F182 HydrophobicContact CB-CD2 3.65Å; F93-F182 HydrophobicContact CB-CE2 4.23Å; F93-F182 HydrophobicContact CD1-CB 3.67Å; F93-F182 HydrophobicContact CD1-CD2 4.09Å; F93-F182 HydrophobicContact CD1-CG 4.29Å; F93-F182 HydrophobicContact CD2-CB 4.36Å; F93-F182 HydrophobicContact CD2-CD2 4.13Å; F93-F182 HydrophobicContact CE1-CB 3.72Å; F93-F182 HydrophobicContact CE2-CB 4.4Å; F93-F182 HydrophobicContact CG-CB 4Å; F93-F182 AromaticContact CG-CD2 3.67Å; F93-F182 HydrophobicContact CG-CD2 3.67Å; F93-F182 HydrophobicContact CG-CG 4.3Å; F93-F182 HydrophobicContact CZ-CB 4.09Å; F93-F182 VanDerWaalsContact CZ-N 3.3Å; F93-I187 HydrophobicContact CB-CD1 4.03Å; F93-I187 HydrophobicContact CD2-CD1 4.31Å
94	L	97.8	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-33.2	177.9	-69.7	168.5	0	0	0	112.5	F90 R91 T96 E97 Y98 S99 E100 M103 M174 S178	F90-L94 HydrophobicContact CD1-CD1 4.03Å; F90-L94 HydrophobicContact CD2-CG 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.8Å; F90-L94 HydrophobicContact CE1-CG 4.33Å; F90-L94 HydrophobicContact CE2-CD2 4.24Å; F90-L94 HydrophobicContact CE2-CG 4.2Å; F90-L94 HydrophobicContact CG-CD1 4.47Å; F90-L94 HydrophobicContact CZ-CD1 4.08Å; F90-L94 HydrophobicContact CZ-CD2 4.02Å; F90-L94 HydrophobicContact CZ-CG 4.14Å; F90-L94 VanDerWaalsContact O-CG 3.3Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 2.74Å; R91-L94 PolarHBondContact O-N 3Å; L94-T96 VanDerWaalsContact C-N 3.34Å; L94-T96 PolarHBondContact O-N 3.09Å; L94-E97 CarbonylContact O-C 3.57Å; L94-E97 PolarHBondContact O-N 3.42Å; L94-E97 VanDerWaalsContact O-N 3.12Å; L94-Y98 PolarHBondContact O-N 3.05Å; L94-Y98 VanDerWaalsContact O-N 3.07Å; L94-S99 WeakPolarHBondContact CD2-OG 3.21Å; L94-S99 PolarHBondContact O-N 3.26Å; L94-S99 PolarHBondContact O-OG 3.33Å; L94-E100 HydrophobicContact CB-CB 4.37Å; L94-M103 HydrophobicContact CD1-CB 3.71Å; L94-M103 HydrophobicContact CD1-CE 4.41Å; L94-M174 HydrophobicContact CD1-SD 3.9Å; L94-S178 VanDerWaalsContact CD2-CB 3.5Å
95	R	96.4	Very high	96.6	Very high	143 Å²	143	41.6 Å²	41.6	54%	0.54	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-35.1	173.8	-169.3	178.6	-172.7	101.3	-8.8	112.5	R91 E92 F93 E97 Y98 E100	R91-R95 PolarHBondContact O-N 2.71Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 2.68Å; F93-R95 PolarHBondContact O-N 2.88Å; R95-E97 PolarHBondContact O-N 2.81Å; R95-Y98 PolarHBondContact O-N 3.44Å; R95-E100 HydrophobicContact CB-CB 4.28Å; R95-E100 WeakPolarHBondContact CB-OE2 3.41Å; R95-E100 VanDerWaalsContact CD-OE2 3.31Å; R95-E100 WeakPolarHBondContact CD-OE2 3.08Å; R95-E100 WeakPolarHBondContact CG-OE2 3.31Å; R95-E100 IonicContact CZ-OE1 2.66Å; R95-E100 IonicContact CZ-OE2 3.35Å; R95-E100 IonicContact NE-OE2 3.86Å; R95-E100 IonicContact NH1-OE1 2.73Å; R95-E100 PolarHBondContact NH1-OE1 3.4Å; R95-E100 IonicContact NH1-OE2 3.73Å; R95-E100 PolarHBondContact NH1-OE2 2.91Å
96	T	96.6	Very high	96.9	Very high	86 Å²	86	42.7 Å²	42.7	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-69.8	-21.9	172.8	69.6	0	0	0	0	113.2	E92 F93 L94 I187	E92-T96 PolarHBondContact O-N 3.16Å; F93-T96 WeakPolarHBondContact O-CA 3.41Å; F93-T96 WeakPolarHBondContact O-CB 3.5Å; F93-T96 PolarHBondContact O-N 2.61Å; F93-T96 PolarHBondContact O-OG1 2.89Å; L94-T96 VanDerWaalsContact C-N 3.34Å; L94-T96 PolarHBondContact O-N 3.09Å; T96-I187 HydrophobicContact CG2-CD1 4.27Å
97	E	96.6	Very high	97	Very high	52 Å²	52	44.6 Å²	44.6	24%	0.243	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.5	177.8	-57.3	-161.1	140.8	0	0	113.3	F93 L94 R95 S99 R181	F93-E97 HydrophobicContact CE1-CG 4.27Å; F93-E97 VanDerWaalsContact CE1-OE2 3.28Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.42Å; F93-E97 HydrophobicContact CE2-CG 4.23Å; F93-E97 HydrophobicContact CZ-CG 3.95Å; F93-E97 WeakPolarHBondContact CZ-OE1 3.29Å; F93-E97 VanDerWaalsContact CZ-OE2 3.22Å; F93-E97 WeakPolarHBondContact CZ-OE2 3.31Å; F93-E97 PolarHBondContact O-N 3.14Å; L94-E97 CarbonylContact O-C 3.57Å; L94-E97 PolarHBondContact O-N 3.42Å; L94-E97 VanDerWaalsContact O-N 3.12Å; R95-E97 PolarHBondContact O-N 2.81Å; E97-S99 VanDerWaalsContact C-N 3.26Å; E97-S99 PolarHBondContact O-N 3.36Å; E97-R181 IonicContact OE1-CZ 3.58Å; E97-R181 IonicContact OE1-NE 3.99Å; E97-R181 IonicContact OE1-NH1 2.7Å; E97-R181 PolarHBondContact OE1-NH1 2.98Å; E97-R181 IonicContact OE2-CZ 2.65Å; E97-R181 IonicContact OE2-NE 2.71Å; E97-R181 IonicContact OE2-NH1 2.68Å; E97-R181 PolarHBondContact OE2-NH1 2.98Å; E97-R181 IonicContact OE2-NH2 3.08Å; E97-R181 PolarHBondContact OE2-NH2 3.49Å
98	Y	95.6	Very high	97.1	Very high	212 Å²	212	43.6 Å²	43.6	83%	0.831	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.7	-179.3	-54.4	-87.4	0	0	0	114.2	L94 R95	L94-Y98 PolarHBondContact O-N 3.05Å; L94-Y98 VanDerWaalsContact O-N 3.07Å; R95-Y98 PolarHBondContact O-N 3.44Å
99	S	97.9	Very high	97.3	Very high	16 Å²	16	42.2 Å²	42.2	11%	0.112	19%	0.194	C	C	.	.			trans	-133.1	22.7	-175.6	57.1	0	0	0	0	113.7	L94 E97 E101 N102	L94-S99 WeakPolarHBondContact CD2-OG 3.21Å; L94-S99 PolarHBondContact O-N 3.26Å; L94-S99 PolarHBondContact O-OG 3.33Å; E97-S99 VanDerWaalsContact C-N 3.26Å; E97-S99 PolarHBondContact O-N 3.36Å; S99-E101 VanDerWaalsContact C-N 3.26Å; S99-E101 WeakPolarHBondContact CA-OE1 3.3Å; S99-E101 VanDerWaalsContact CA-OE2 3.23Å; S99-E101 WeakPolarHBondContact CA-OE2 3.46Å; S99-E101 PolarHBondContact O-N 3.28Å; S99-N102 PolarHBondContact O-N 3.14Å; S99-N102 PolarHBondContact O-ND2 3.12Å
100	E	97.3	Very high	97.5	Very high	47 Å²	47	44.1 Å²	44.1	22%	0.22	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.9	-176.9	67.6	171.5	-168.5	0	0	113.8	L94 R95 N102 M103 L104	L94-E100 HydrophobicContact CB-CB 4.37Å; R95-E100 HydrophobicContact CB-CB 4.28Å; R95-E100 WeakPolarHBondContact CB-OE2 3.41Å; R95-E100 VanDerWaalsContact CD-OE2 3.31Å; R95-E100 WeakPolarHBondContact CD-OE2 3.08Å; R95-E100 WeakPolarHBondContact CG-OE2 3.31Å; R95-E100 IonicContact CZ-OE1 2.66Å; R95-E100 IonicContact CZ-OE2 3.35Å; R95-E100 IonicContact NE-OE2 3.86Å; R95-E100 IonicContact NH1-OE1 2.73Å; R95-E100 PolarHBondContact NH1-OE1 3.4Å; R95-E100 IonicContact NH1-OE2 3.73Å; R95-E100 PolarHBondContact NH1-OE2 2.91Å; E100-N102 PolarHBondContact O-N 3.32Å; E100-M103 PolarHBondContact O-N 3.22Å; E100-M103 VanDerWaalsContact O-N 3.1Å; E100-L104 HydrophobicContact CG-CD1 4.45Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.67Å
101	E	97.9	Very high	97.4	Very high	39 Å²	39	46.9 Å²	46.9	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-30.9	176.8	71	-60.5	144.5	0	0	112.6	S99 M103 L104 F105 Y132 K139 V141	S99-E101 VanDerWaalsContact C-N 3.26Å; S99-E101 WeakPolarHBondContact CA-OE1 3.3Å; S99-E101 VanDerWaalsContact CA-OE2 3.23Å; S99-E101 WeakPolarHBondContact CA-OE2 3.46Å; S99-E101 PolarHBondContact O-N 3.28Å; E101-M103 PolarHBondContact O-N 3.08Å; E101-L104 PolarHBondContact O-N 2.86Å; E101-F105 VanDerWaalsContact O-CB 3.25Å; E101-F105 WeakPolarHBondContact O-CB 3.21Å; E101-F105 PolarHBondContact O-N 2.69Å; E101-Y132 HydrophobicContact CB-CE1 4.5Å; E101-K139 HydrophobicContact CB-CB 4.04Å; E101-V141 HydrophobicContact CG-CG1 4.1Å
102	N	98.3	Very high	97.5	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-42.1	175.4	-62.8	-66.8	0	0	0	112.4	S99 E100 W106 I170 M174	S99-N102 PolarHBondContact O-N 3.14Å; S99-N102 PolarHBondContact O-ND2 3.12Å; E100-N102 PolarHBondContact O-N 3.32Å; N102-W106 WeakPolarHBondContact O-CB 3.47Å; N102-W106 PolarHBondContact O-N 2.94Å; N102-W106 VanDerWaalsContact O-N 3.12Å; N102-I170 HydrophobicContact CB-CG2 3.55Å; N102-I170 WeakPolarHBondContact O-CG2 3.37Å; N102-M174 HydrophobicContact CB-CG 3.79Å; N102-M174 HydrophobicContact CB-SD 3.71Å
103	M	98	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.6	-42.1	176.1	176.2	59.1	63.8	0	0	111.4	M81 R87 F90 R91 L94 E100 E101 W106 L107 M174	M81-M103 HydrophobicContact CE-CE 3.7Å; M81-M103 HydrophobicContact CE-SD 4.07Å; M81-M103 HydrophobicContact SD-CE 3.47Å; M81-M103 WeakPolarHBondContact SD-CE 3.5Å; M81-M103 HydrophobicContact SD-SD 4.49Å; R87-M103 HydrophobicContact CB-SD 4.41Å; F90-M103 HydrophobicContact CD1-CE 3.46Å; F90-M103 VanDerWaalsContact CD1-CE 3.46Å; F90-M103 HydrophobicContact CE1-CE 3.99Å; R91-M103 HydrophobicContact CB-CG 4Å; R91-M103 HydrophobicContact CG-CB 4.31Å; R91-M103 HydrophobicContact CG-CG 3.96Å; L94-M103 HydrophobicContact CD1-CB 3.71Å; L94-M103 HydrophobicContact CD1-CE 4.41Å; E100-M103 PolarHBondContact O-N 3.22Å; E100-M103 VanDerWaalsContact O-N 3.1Å; E101-M103 PolarHBondContact O-N 3.08Å; M103-W106 PolarHBondContact O-N 3.28Å; M103-W106 HydrophobicContact SD-CE3 4.44Å; M103-L107 HydrophobicContact CG-CD1 3.96Å; M103-L107 HydrophobicContact CG-CG 4.44Å; M103-L107 WeakPolarHBondContact O-CB 3.22Å; M103-L107 WeakPolarHBondContact O-CG 3Å; M103-L107 PolarHBondContact O-N 3.44Å; M103-L107 HydrophobicContact SD-CD1 4.06Å; M103-L107 HydrophobicContact SD-CG 4.02Å; M103-M174 HydrophobicContact CB-SD 4.34Å; M103-M174 HydrophobicContact CE-SD 4.29Å
104	L	97.7	Very high	97.6	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-40.9	179.6	-64.8	175.9	0	0	0	111.9	E100 E101 A108 Y132	E100-L104 HydrophobicContact CG-CD1 4.45Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.67Å; E101-L104 PolarHBondContact O-N 2.86Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 3.05Å; L104-Y132 HydrophobicContact CB-CE1 3.92Å; L104-Y132 WeakPolarHBondContact CB-OH 3.4Å
105	F	98.6	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-46.9	171.8	172.2	-113.2	0	0	0	111.9	E101 L107 A108 C109 I128 Y132 I133 V141 F163 A166 I170	E101-F105 VanDerWaalsContact O-CB 3.25Å; E101-F105 WeakPolarHBondContact O-CB 3.21Å; E101-F105 PolarHBondContact O-N 2.69Å; F105-L107 PolarHBondContact O-N 3.41Å; F105-A108 PolarHBondContact O-N 3.07Å; F105-C109 VanDerWaalsContact CE2-SG 3.5Å; F105-C109 VanDerWaalsContact CZ-SG 3.58Å; F105-C109 PolarHBondContact O-N 3.26Å; F105-C109 PolarHBondContact O-SG 2.94Å; F105-I128 HydrophobicContact CD2-CG2 4.04Å; F105-I128 HydrophobicContact CE2-CG2 3.79Å; F105-Y132 HydrophobicContact CB-CD1 3.75Å; F105-Y132 HydrophobicContact CB-CD2 4.3Å; F105-Y132 HydrophobicContact CB-CE1 4.26Å; F105-Y132 HydrophobicContact CB-CG 3.79Å; F105-Y132 VanDerWaalsContact CD2-CB 3.5Å; F105-Y132 AromaticContact CD2-CD2 3.99Å; F105-Y132 HydrophobicContact CD2-CD2 3.99Å; F105-Y132 AromaticContact CD2-CG 3.78Å; F105-Y132 HydrophobicContact CD2-CG 3.78Å; F105-Y132 HydrophobicContact CG-CG 4.21Å; F105-I133 HydrophobicContact CE2-CD1 3.72Å; F105-I133 HydrophobicContact CZ-CD1 3.97Å; F105-V141 HydrophobicContact CB-CG1 3.74Å; F105-V141 HydrophobicContact CD1-CG1 4.26Å; F105-V141 HydrophobicContact CD1-CG2 4.09Å; F105-V141 HydrophobicContact CE1-CG2 4.27Å; F105-V141 HydrophobicContact CG-CG1 4.04Å; F105-V141 HydrophobicContact CG-CG2 4.21Å; F105-F163 HydrophobicContact CE2-CB 4.44Å; F105-F163 HydrophobicContact CE2-CD1 4.47Å; F105-F163 HydrophobicContact CZ-CB 4.2Å; F105-A166 HydrophobicContact CE1-CB 4.14Å; F105-A166 HydrophobicContact CZ-CB 3.82Å; F105-I170 HydrophobicContact CD1-CB 4.01Å; F105-I170 HydrophobicContact CD1-CG1 3.71Å; F105-I170 HydrophobicContact CD1-CG2 4.15Å; F105-I170 HydrophobicContact CE1-CB 4.21Å; F105-I170 HydrophobicContact CE1-CG1 3.73Å
106	W	98.5	Very high	97.5	Very high	30 Å²	30	52.2 Å²	52.2	11%	0.114	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-44.2	178.8	-174.9	92.9	0	0	0	111.9	M81 N102 M103 C109 E110 Q167 Y171 M174	M81-W106 HydrophobicContact CE-CD2 3.41Å; M81-W106 VanDerWaalsContact CE-CD2 3.41Å; M81-W106 HydrophobicContact CE-CE3 3.48Å; M81-W106 VanDerWaalsContact CE-CE3 3.48Å; M81-W106 HydrophobicContact CE-CG 4Å; M81-W106 HydrophobicContact CE-CH2 3.98Å; M81-W106 HydrophobicContact CE-CZ2 3.91Å; M81-W106 HydrophobicContact CE-CZ3 3.77Å; N102-W106 WeakPolarHBondContact O-CB 3.47Å; N102-W106 PolarHBondContact O-N 2.94Å; N102-W106 VanDerWaalsContact O-N 3.12Å; M103-W106 PolarHBondContact O-N 3.28Å; M103-W106 HydrophobicContact SD-CE3 4.44Å; W106-C109 WeakPolarHBondContact O-CB 3.38Å; W106-C109 PolarHBondContact O-N 3.34Å; W106-E110 HydrophobicContact CD2-CG 4.32Å; W106-E110 HydrophobicContact CE3-CG 4.09Å; W106-E110 HydrophobicContact CH2-CG 3.68Å; W106-E110 HydrophobicContact CZ2-CG 3.93Å; W106-E110 HydrophobicContact CZ3-CG 3.76Å; W106-E110 PolarHBondContact O-N 3.22Å; W106-E110 VanDerWaalsContact O-N 3.13Å; W106-Q167 VanDerWaalsContact CD1-CG 3.44Å; W106-Q167 HydrophobicContact CG-CG 4.17Å; W106-Q167 PolarHBondContact O-NE2 2.96Å; W106-Y171 AromaticContact NE1-CD2 3.54Å; W106-M174 HydrophobicContact CB-CE 4.14Å; W106-M174 HydrophobicContact CG-CE 4.35Å
107	L	97.6	Very high	97.5	Very high	40 Å²	40	52.3 Å²	52.3	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-40.1	175.4	-74.2	169.3	0	0	0	112.5	M103 F105 C109 E110 D111	M103-L107 HydrophobicContact CG-CD1 3.96Å; M103-L107 HydrophobicContact CG-CG 4.44Å; M103-L107 WeakPolarHBondContact O-CB 3.22Å; M103-L107 WeakPolarHBondContact O-CG 3Å; M103-L107 PolarHBondContact O-N 3.44Å; M103-L107 HydrophobicContact SD-CD1 4.06Å; M103-L107 HydrophobicContact SD-CG 4.02Å; F105-L107 PolarHBondContact O-N 3.41Å; L107-C109 VanDerWaalsContact C-N 3.31Å; L107-C109 PolarHBondContact O-N 2.89Å; L107-E110 PolarHBondContact O-N 3.3Å; L107-D111 PolarHBondContact O-N 3.5Å
108	A	98.1	Very high	97.5	Very high	11 Å²	11	55.1 Å²	55.1	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-34.1	177.7	0	0	0	0	0	112.1	M55 L104 F105 D111 L112 I128 Y132	M55-A108 HydrophobicContact CE-CB 4.45Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 3.05Å; F105-A108 PolarHBondContact O-N 3.07Å; A108-D111 PolarHBondContact O-N 3.12Å; A108-L112 WeakPolarHBondContact O-CB 3.35Å; A108-L112 PolarHBondContact O-N 3.39Å; A108-I128 HydrophobicContact CB-CD1 4.14Å; A108-I128 HydrophobicContact CB-CG1 3.86Å; A108-I128 WeakPolarHBondContact O-CD1 3.33Å; A108-Y132 HydrophobicContact CB-CE2 4.25Å
109	C	98.4	Very high	97.6	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-41.1	171.9	-65.5	0	0	0	0	112.1	F105 W106 L107 L112 K113 Q167	F105-C109 VanDerWaalsContact CE2-SG 3.5Å; F105-C109 VanDerWaalsContact CZ-SG 3.58Å; F105-C109 PolarHBondContact O-N 3.26Å; F105-C109 PolarHBondContact O-SG 2.94Å; W106-C109 WeakPolarHBondContact O-CB 3.38Å; W106-C109 PolarHBondContact O-N 3.34Å; L107-C109 VanDerWaalsContact C-N 3.31Å; L107-C109 PolarHBondContact O-N 2.89Å; C109-L112 PolarHBondContact O-N 3.46Å; C109-K113 WeakPolarHBondContact O-CG 3.35Å; C109-K113 PolarHBondContact O-N 2.83Å; C109-Q167 HydrophobicContact CB-CB 4.15Å; C109-Q167 HydrophobicContact CB-CG 3.78Å
110	E	97.8	Very high	97.5	Very high	60 Å²	60	49 Å²	49	28%	0.28	25%	0.25	S	C	.	.	H	α-helix	trans	-64	-41	173.9	-67.6	-59.1	100.2	0	0	112.2	W106 L107 L112 K113 Q114 Q167	W106-E110 HydrophobicContact CD2-CG 4.32Å; W106-E110 HydrophobicContact CE3-CG 4.09Å; W106-E110 HydrophobicContact CH2-CG 3.68Å; W106-E110 HydrophobicContact CZ2-CG 3.93Å; W106-E110 HydrophobicContact CZ3-CG 3.76Å; W106-E110 PolarHBondContact O-N 3.22Å; W106-E110 VanDerWaalsContact O-N 3.13Å; L107-E110 PolarHBondContact O-N 3.3Å; E110-L112 VanDerWaalsContact C-N 3.29Å; E110-L112 PolarHBondContact O-N 3.1Å; E110-K113 PolarHBondContact O-N 3.28Å; E110-K113 WeakPolarHBondContact OE1-CD 3.47Å; E110-K113 WeakPolarHBondContact OE1-CE 3.29Å; E110-K113 IonicContact OE1-NZ 3.24Å; E110-K113 PolarHBondContact OE1-NZ 3.45Å; E110-Q114 PolarHBondContact O-N 3.24Å; E110-Q167 PolarHBondContact OE1-NE2 3.32Å
111	D	96.9	Very high	97.5	Very high	58 Å²	58	47.4 Å²	47.4	31%	0.31	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-28.2	176	-165.9	99.6	0	0	0	112.7	K58 L107 A108 K124	K58-D111 IonicContact NZ-OD1 2.79Å; K58-D111 PolarHBondContact NZ-OD1 3.07Å; L107-D111 PolarHBondContact O-N 3.5Å; A108-D111 PolarHBondContact O-N 3.12Å; D111-K124 PolarHBondContact O-NZ 3.34Å; D111-K124 VanDerWaalsContact OD2-CE 3.31Å; D111-K124 WeakPolarHBondContact OD2-CE 3.47Å; D111-K124 IonicContact OD2-NZ 2.63Å; D111-K124 PolarHBondContact OD2-NZ 3.27Å
112	L	98.1	Very high	97.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-42.6	171.8	-177.9	71.3	0	0	0	112.1	A108 C109 E110 Q114 E115 I121 K124 A125 I128 F163	A108-L112 WeakPolarHBondContact O-CB 3.35Å; A108-L112 PolarHBondContact O-N 3.39Å; C109-L112 PolarHBondContact O-N 3.46Å; E110-L112 VanDerWaalsContact C-N 3.29Å; E110-L112 PolarHBondContact O-N 3.1Å; L112-Q114 PolarHBondContact O-N 2.98Å; L112-E115 VanDerWaalsContact O-CB 3.3Å; L112-E115 WeakPolarHBondContact O-CB 3.47Å; L112-E115 PolarHBondContact O-N 3.24Å; L112-I121 HydrophobicContact CD1-CG2 4.22Å; L112-K124 HydrophobicContact CD1-CB 3.6Å; L112-K124 HydrophobicContact CD1-CD 4.21Å; L112-A125 HydrophobicContact CD1-CB 4.4Å; L112-A125 HydrophobicContact CD2-CB 4.45Å; L112-I128 HydrophobicContact CB-CD1 3.92Å; L112-I128 HydrophobicContact CD2-CD1 4.08Å; L112-I128 HydrophobicContact CG-CD1 4.42Å; L112-F163 HydrophobicContact CD2-CD2 3.54Å; L112-F163 HydrophobicContact CD2-CE2 3.64Å
113	K	98	Very high	97.4	Very high	60 Å²	60	52.5 Å²	52.5	26%	0.261	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-28.4	-180	-74.6	176.4	-170.2	169.4	0	113.8	C109 E110 E115	C109-K113 WeakPolarHBondContact O-CG 3.35Å; C109-K113 PolarHBondContact O-N 2.83Å; E110-K113 PolarHBondContact O-N 3.28Å; E110-K113 WeakPolarHBondContact OE1-CD 3.47Å; E110-K113 WeakPolarHBondContact OE1-CE 3.29Å; E110-K113 IonicContact OE1-NZ 3.24Å; E110-K113 PolarHBondContact OE1-NZ 3.45Å; K113-E115 VanDerWaalsContact C-N 3.3Å
114	Q	96.6	Very high	97.4	Very high	149 Å²	149	54.4 Å²	54.4	70%	0.696	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.1	177.2	-55.1	-56.2	-35.6	0	0	113.4	E110 L112	E110-Q114 PolarHBondContact O-N 3.24Å; L112-Q114 PolarHBondContact O-N 2.98Å
115	E	97.3	Very high	97.5	Very high	47 Å²	47	53.4 Å²	53.4	22%	0.22	27%	0.269	C	S	.	.			trans	-87.4	132.5	-177.8	-166.6	57.3	-107.7	0	0	111.8	L112 K113 N117 A120 I121 K124	L112-E115 VanDerWaalsContact O-CB 3.3Å; L112-E115 WeakPolarHBondContact O-CB 3.47Å; L112-E115 PolarHBondContact O-N 3.24Å; K113-E115 VanDerWaalsContact C-N 3.3Å; E115-N117 PolarHBondContact OE1-N 2.96Å; E115-A120 VanDerWaalsContact CD-CB 3.48Å; E115-A120 HydrophobicContact CG-CB 3.61Å; E115-I121 HydrophobicContact CB-CG1 3.94Å; E115-I121 HydrophobicContact CG-CG1 3.76Å; E115-K124 HydrophobicContact CB-CD 4.28Å; E115-K124 HydrophobicContact CG-CD 4.33Å; E115-K124 WeakPolarHBondContact OE2-CE 3.45Å; E115-K124 IonicContact OE2-NZ 3.59Å; E115-K124 PolarHBondContact OE2-NZ 2.96Å
116	I	95.6	Very high	97.4	Very high	157 Å²	157	55.5 Å²	55.5	81%	0.805	28%	0.277	S	S	*	.			trans	-112.5	-25.4	-177.8	-54	175	0	0	0	110.7	K118	I116-K118 PolarHBondContact O-N 3.48Å
117	N	97.3	Very high	97.4	Very high	88 Å²	88	54.9 Å²	54.9	47%	0.471	28%	0.277	S	S	.	.			trans	-76.8	118.2	-179.4	-176.6	-59.9	0	0	0	110.9	E115 S119 A120 I121	E115-N117 PolarHBondContact OE1-N 2.96Å; N117-S119 VanDerWaalsContact C-N 3.32Å; N117-S119 PolarHBondContact O-N 3.02Å; N117-S119 PolarHBondContact OD1-N 2.89Å; N117-S119 PolarHBondContact OD1-OG 3.36Å; N117-A120 HydrophobicContact CB-CB 3.98Å; N117-A120 WeakPolarHBondContact O-CA 3.45Å; N117-A120 WeakPolarHBondContact O-CB 3.48Å; N117-A120 PolarHBondContact O-N 3.28Å; N117-A120 PolarHBondContact OD1-N 2.74Å; N117-I121 WeakPolarHBondContact O-CG1 3.19Å; N117-I121 PolarHBondContact O-N 2.94Å
118	K	96.3	Very high	97.4	Very high	111 Å²	111	53.3 Å²	53.3	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-52.1	-44	-177.9	-178.7	162.4	-178.1	159.2	0	113.8	I116 A120 I121 E122 D157	I116-K118 PolarHBondContact O-N 3.48Å; K118-A120 VanDerWaalsContact C-N 3.31Å; K118-A120 PolarHBondContact O-N 3.34Å; K118-I121 WeakPolarHBondContact O-CB 3.26Å; K118-I121 PolarHBondContact O-N 3.46Å; K118-E122 WeakPolarHBondContact CE-OE1 3.22Å; K118-E122 WeakPolarHBondContact CG-OE1 3.43Å; K118-E122 WeakPolarHBondContact O-CG 3.25Å; K118-E122 PolarHBondContact O-N 2.77Å; K118-D157 WeakPolarHBondContact CE-OD1 3.47Å; K118-D157 IonicContact NZ-OD1 3.66Å; K118-D157 PolarHBondContact NZ-OD1 3.23Å; K118-D157 IonicContact NZ-OD2 2.74Å
119	S	96.7	Very high	97.4	Very high	78 Å²	78	55.9 Å²	55.9	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-67.5	-30.9	178.9	71.4	0	0	0	0	113.3	N117 E123	N117-S119 VanDerWaalsContact C-N 3.32Å; N117-S119 PolarHBondContact O-N 3.02Å; N117-S119 PolarHBondContact OD1-N 2.89Å; N117-S119 PolarHBondContact OD1-OG 3.36Å; S119-E123 WeakPolarHBondContact O-CB 3.28Å; S119-E123 PolarHBondContact O-N 3.01Å
120	A	96.1	Very high	97.4	Very high	23 Å²	23	58.2 Å²	58.2	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-75.5	-36.8	174.3	0	0	0	0	0	111.5	E115 N117 K118 E123 K124	E115-A120 VanDerWaalsContact CD-CB 3.48Å; E115-A120 HydrophobicContact CG-CB 3.61Å; N117-A120 HydrophobicContact CB-CB 3.98Å; N117-A120 WeakPolarHBondContact O-CA 3.45Å; N117-A120 WeakPolarHBondContact O-CB 3.48Å; N117-A120 PolarHBondContact O-N 3.28Å; N117-A120 PolarHBondContact OD1-N 2.74Å; K118-A120 VanDerWaalsContact C-N 3.31Å; K118-A120 PolarHBondContact O-N 3.34Å; A120-E123 PolarHBondContact O-N 3.47Å; A120-K124 VanDerWaalsContact O-CB 3.29Å; A120-K124 WeakPolarHBondContact O-CB 3.19Å; A120-K124 VanDerWaalsContact O-CG 3.3Å; A120-K124 WeakPolarHBondContact O-CG 3.43Å; A120-K124 PolarHBondContact O-N 3.33Å
121	I	98	Very high	97.4	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-51.9	171.3	-65.5	162.1	0	0	0	109.7	L112 E115 N117 K118 E123 K124 A125 P158 P160	L112-I121 HydrophobicContact CD1-CG2 4.22Å; E115-I121 HydrophobicContact CB-CG1 3.94Å; E115-I121 HydrophobicContact CG-CG1 3.76Å; N117-I121 WeakPolarHBondContact O-CG1 3.19Å; N117-I121 PolarHBondContact O-N 2.94Å; K118-I121 WeakPolarHBondContact O-CB 3.26Å; K118-I121 PolarHBondContact O-N 3.46Å; I121-E123 PolarHBondContact O-N 3.29Å; I121-K124 PolarHBondContact O-N 2.96Å; I121-A125 WeakPolarHBondContact O-CB 3.47Å; I121-A125 PolarHBondContact O-N 2.64Å; I121-P158 VanDerWaalsContact CG2-O 3.25Å; I121-P158 WeakPolarHBondContact CG2-O 3.46Å; I121-P160 HydrophobicContact CD1-CG 3.72Å; I121-P160 HydrophobicContact CG1-CG 4.21Å
122	E	97.7	Very high	97.4	Very high	86 Å²	86	53.6 Å²	53.6	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-45	176.4	-73.2	170.9	-159.9	0	0	112.3	K118 R126 P158	K118-E122 WeakPolarHBondContact CE-OE1 3.22Å; K118-E122 WeakPolarHBondContact CG-OE1 3.43Å; K118-E122 WeakPolarHBondContact O-CG 3.25Å; K118-E122 PolarHBondContact O-N 2.77Å; E122-R126 VanDerWaalsContact O-CB 3.25Å; E122-R126 WeakPolarHBondContact O-CB 3.3Å; E122-R126 PolarHBondContact O-N 2.8Å; E122-P158 HydrophobicContact CB-CG 4.38Å; E122-P158 HydrophobicContact CG-CG 3.94Å
123	E	97.2	Very high	97.4	Very high	67 Å²	67	53.6 Å²	53.6	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-67.2	-46.4	179.7	-172	177.2	-153.5	0	0	112.6	K47 S119 A120 I121 R126 T127	K47-E123 WeakPolarHBondContact CE-OE1 3.48Å; K47-E123 IonicContact NZ-OE1 2.94Å; K47-E123 PolarHBondContact NZ-OE1 2.71Å; K47-E123 IonicContact NZ-OE2 3.84Å; K47-E123 PolarHBondContact NZ-OE2 2.85Å; S119-E123 WeakPolarHBondContact O-CB 3.28Å; S119-E123 PolarHBondContact O-N 3.01Å; A120-E123 PolarHBondContact O-N 3.47Å; I121-E123 PolarHBondContact O-N 3.29Å; E123-R126 PolarHBondContact O-NH2 3.34Å; E123-T127 PolarHBondContact O-N 3.49Å; E123-T127 PolarHBondContact O-OG1 3.06Å
124	K	97.9	Very high	97.3	Very high	40 Å²	40	52 Å²	52	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-48.5	177.6	-75.4	-174.8	-169.5	-173.5	0	110.9	D111 L112 E115 A120 I121 R126 T127 I128	D111-K124 PolarHBondContact O-NZ 3.34Å; D111-K124 VanDerWaalsContact OD2-CE 3.31Å; D111-K124 WeakPolarHBondContact OD2-CE 3.47Å; D111-K124 IonicContact OD2-NZ 2.63Å; D111-K124 PolarHBondContact OD2-NZ 3.27Å; L112-K124 HydrophobicContact CD1-CB 3.6Å; L112-K124 HydrophobicContact CD1-CD 4.21Å; E115-K124 HydrophobicContact CB-CD 4.28Å; E115-K124 HydrophobicContact CG-CD 4.33Å; E115-K124 WeakPolarHBondContact OE2-CE 3.45Å; E115-K124 IonicContact OE2-NZ 3.59Å; E115-K124 PolarHBondContact OE2-NZ 2.96Å; A120-K124 VanDerWaalsContact O-CB 3.29Å; A120-K124 WeakPolarHBondContact O-CB 3.19Å; A120-K124 VanDerWaalsContact O-CG 3.3Å; A120-K124 WeakPolarHBondContact O-CG 3.43Å; A120-K124 PolarHBondContact O-N 3.33Å; I121-K124 PolarHBondContact O-N 2.96Å; K124-R126 VanDerWaalsContact C-N 3.34Å; K124-R126 PolarHBondContact O-N 2.76Å; K124-T127 PolarHBondContact O-N 3.35Å; K124-T127 VanDerWaalsContact O-N 3.1Å; K124-I128 WeakPolarHBondContact O-CG1 3.5Å; K124-I128 PolarHBondContact O-N 3.24Å
125	A	98.3	Very high	97.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-42.2	-179.5	0	0	0	0	0	111.8	L112 I121 T127 I128 Y129 M155 P158 F163	L112-A125 HydrophobicContact CD1-CB 4.4Å; L112-A125 HydrophobicContact CD2-CB 4.45Å; I121-A125 WeakPolarHBondContact O-CB 3.47Å; I121-A125 PolarHBondContact O-N 2.64Å; A125-T127 PolarHBondContact O-N 3.28Å; A125-I128 PolarHBondContact O-N 3Å; A125-Y129 WeakPolarHBondContact O-CB 3.45Å; A125-Y129 PolarHBondContact O-N 2.85Å; A125-M155 HydrophobicContact CB-CE 4.42Å; A125-M155 HydrophobicContact CB-SD 4.33Å; A125-P158 HydrophobicContact CB-CB 3.63Å; A125-P158 HydrophobicContact CB-CG 4.17Å; A125-F163 HydrophobicContact CB-CE2 3.82Å; A125-F163 HydrophobicContact CB-CZ 4.11Å; A125-F163 WeakPolarHBondContact O-CZ 3.28Å
126	R	97.8	Very high	97.1	Very high	43 Å²	43	55.5 Å²	55.5	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-39.7	173.7	-175.2	-163.5	56.1	62.9	31.2	112.1	E122 E123 K124 E130 M155	E122-R126 VanDerWaalsContact O-CB 3.25Å; E122-R126 WeakPolarHBondContact O-CB 3.3Å; E122-R126 PolarHBondContact O-N 2.8Å; E123-R126 PolarHBondContact O-NH2 3.34Å; K124-R126 VanDerWaalsContact C-N 3.34Å; K124-R126 PolarHBondContact O-N 2.76Å; R126-E130 HydrophobicContact CG-CG 4.5Å; R126-E130 WeakPolarHBondContact CG-OE1 3.33Å; R126-E130 IonicContact CZ-OE1 2.61Å; R126-E130 IonicContact CZ-OE2 2.91Å; R126-E130 IonicContact NH1-OE1 2.74Å; R126-E130 PolarHBondContact NH1-OE1 3.35Å; R126-E130 IonicContact NH1-OE2 2.69Å; R126-E130 PolarHBondContact NH1-OE2 2.94Å; R126-E130 WeakPolarHBondContact O-CB 3.3Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 2.93Å; R126-M155 HydrophobicContact CB-CE 4.43Å
127	T	97.6	Very high	97.1	Very high	18 Å²	18	48.8 Å²	48.8	11%	0.11	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-47.4	174.5	-65.1	0	0	0	0	111.3	E123 K124 A125 Y129 E130 D131	E123-T127 PolarHBondContact O-N 3.49Å; E123-T127 PolarHBondContact O-OG1 3.06Å; K124-T127 PolarHBondContact O-N 3.35Å; K124-T127 VanDerWaalsContact O-N 3.1Å; A125-T127 PolarHBondContact O-N 3.28Å; T127-Y129 VanDerWaalsContact C-N 3.3Å; T127-Y129 PolarHBondContact O-N 3.33Å; T127-E130 PolarHBondContact O-N 2.99Å; T127-D131 WeakPolarHBondContact CG2-OD2 3.16Å; T127-D131 WeakPolarHBondContact O-CB 3.48Å; T127-D131 PolarHBondContact O-N 2.87Å
128	I	98.4	Very high	96.9	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-43.5	175.9	-68.6	163.8	0	0	0	111.2	F105 A108 L112 K124 A125 Y132 F163	F105-I128 HydrophobicContact CD2-CG2 4.04Å; F105-I128 HydrophobicContact CE2-CG2 3.79Å; A108-I128 HydrophobicContact CB-CD1 4.14Å; A108-I128 HydrophobicContact CB-CG1 3.86Å; A108-I128 WeakPolarHBondContact O-CD1 3.33Å; L112-I128 HydrophobicContact CB-CD1 3.92Å; L112-I128 HydrophobicContact CD2-CD1 4.08Å; L112-I128 HydrophobicContact CG-CD1 4.42Å; K124-I128 WeakPolarHBondContact O-CG1 3.5Å; K124-I128 PolarHBondContact O-N 3.24Å; A125-I128 PolarHBondContact O-N 3Å; I128-Y132 HydrophobicContact CG2-CD2 4.33Å; I128-Y132 PolarHBondContact O-N 2.81Å; I128-F163 HydrophobicContact CB-CE2 4Å; I128-F163 HydrophobicContact CB-CZ 4.03Å; I128-F163 HydrophobicContact CD1-CD2 4.39Å; I128-F163 HydrophobicContact CD1-CE2 4.18Å; I128-F163 HydrophobicContact CG2-CD1 4.11Å; I128-F163 HydrophobicContact CG2-CD2 3.93Å; I128-F163 HydrophobicContact CG2-CE1 3.94Å; I128-F163 HydrophobicContact CG2-CE2 3.77Å; I128-F163 HydrophobicContact CG2-CG 4.12Å; I128-F163 HydrophobicContact CG2-CZ 3.77Å
129	Y	98.3	Very high	96.9	Very high	65 Å²	65	48.1 Å²	48.1	26%	0.255	26%	0.256	S	S	.	.	I	π-helix	trans	-62.4	-50.5	176.8	-176.4	-85.2	0	0	0	112.1	A125 T127 D131 I133 S134 I151 N152 M155	A125-Y129 WeakPolarHBondContact O-CB 3.45Å; A125-Y129 PolarHBondContact O-N 2.85Å; T127-Y129 VanDerWaalsContact C-N 3.3Å; T127-Y129 PolarHBondContact O-N 3.33Å; Y129-D131 VanDerWaalsContact C-N 3.3Å; Y129-D131 PolarHBondContact O-N 3.49Å; Y129-I133 HydrophobicContact CD2-CB 3.8Å; Y129-I133 HydrophobicContact CD2-CG1 4.33Å; Y129-I133 HydrophobicContact CD2-CG2 3.82Å; Y129-I133 HydrophobicContact CE2-CB 4.09Å; Y129-I133 HydrophobicContact CE2-CG2 3.67Å; Y129-I133 HydrophobicContact CG-CB 4.28Å; Y129-I133 PolarHBondContact O-N 2.75Å; Y129-S134 PolarHBondContact O-N 3.17Å; Y129-I151 HydrophobicContact CD2-CG2 3.83Å; Y129-I151 HydrophobicContact CE2-CG2 4.08Å; Y129-N152 VanDerWaalsContact CE2-OD1 3.27Å; Y129-N152 WeakPolarHBondContact CE2-OD1 3.47Å; Y129-N152 PolarHBondContact OH-OD1 2.87Å; Y129-M155 HydrophobicContact CD2-CG 3.7Å; Y129-M155 HydrophobicContact CD2-SD 4.17Å; Y129-M155 HydrophobicContact CE2-CG 4.19Å; Y129-M155 HydrophobicContact CG-CE 4.3Å; Y129-M155 HydrophobicContact CG-CG 4.31Å; Y129-M155 HydrophobicContact CG-SD 4.39Å
130	E	97.4	Very high	96.9	Very high	52 Å²	52	47.7 Å²	47.7	24%	0.243	25%	0.246	C	C	.	.	I	π-helix	trans	-65.3	-31.4	-179.1	-71.8	168.4	177.5	0	0	113	R44 R48 R126 T127	R44-E130 IonicContact NH1-OE1 2.71Å; R48-E130 IonicContact CZ-OE2 3.14Å; R48-E130 IonicContact NE-OE2 3.4Å; R48-E130 VanDerWaalsContact NH2-CB 3.29Å; R48-E130 IonicContact NH2-OE2 3.51Å; R48-E130 PolarHBondContact NH2-OE2 3.47Å; R126-E130 HydrophobicContact CG-CG 4.5Å; R126-E130 WeakPolarHBondContact CG-OE1 3.33Å; R126-E130 IonicContact CZ-OE1 2.61Å; R126-E130 IonicContact CZ-OE2 2.91Å; R126-E130 IonicContact NH1-OE1 2.74Å; R126-E130 PolarHBondContact NH1-OE1 3.35Å; R126-E130 IonicContact NH1-OE2 2.69Å; R126-E130 PolarHBondContact NH1-OE2 2.94Å; R126-E130 WeakPolarHBondContact O-CB 3.3Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 2.93Å; T127-E130 PolarHBondContact O-N 2.99Å
131	D	97.3	Very high	97	Very high	16 Å²	16	46.6 Å²	46.6	9%	0.086	24%	0.237	C	C	.	.	I	π-helix	trans	-92.4	-30	-177.3	-70.2	-34.1	0	0	0	113.7	R48 T127 Y129 S137 K139	R48-D131 IonicContact CZ-OD1 3.89Å; R48-D131 VanDerWaalsContact CZ-OD1 3.24Å; R48-D131 IonicContact NE-OD1 2.68Å; R48-D131 IonicContact NE-OD2 2.78Å; R48-D131 IonicContact NH1-OD1 3.68Å; R48-D131 PolarHBondContact NH1-OD1 2.99Å; T127-D131 WeakPolarHBondContact CG2-OD2 3.16Å; T127-D131 WeakPolarHBondContact O-CB 3.48Å; T127-D131 PolarHBondContact O-N 2.87Å; Y129-D131 VanDerWaalsContact C-N 3.3Å; Y129-D131 PolarHBondContact O-N 3.49Å; D131-S137 VanDerWaalsContact C-OG 3.3Å; D131-S137 WeakPolarHBondContact O-CB 3.43Å; D131-S137 PolarHBondContact O-OG 2.89Å; D131-K139 CarbonylContact O-C 3.53Å; D131-K139 WeakPolarHBondContact O-CB 3.33Å
132	Y	98.2	Very high	96.9	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.02	26%	0.263	C	S	.	.	I	π-helix	trans	-126.7	-21.7	-173.4	-55.4	-75.8	0	0	0	115.7	E101 L104 F105 A108 I128 K139 E140 V141	E101-Y132 HydrophobicContact CB-CE1 4.5Å; L104-Y132 HydrophobicContact CB-CE1 3.92Å; L104-Y132 WeakPolarHBondContact CB-OH 3.4Å; F105-Y132 HydrophobicContact CB-CD1 3.75Å; F105-Y132 HydrophobicContact CB-CD2 4.3Å; F105-Y132 HydrophobicContact CB-CE1 4.26Å; F105-Y132 HydrophobicContact CB-CG 3.79Å; F105-Y132 VanDerWaalsContact CD2-CB 3.5Å; F105-Y132 AromaticContact CD2-CD2 3.99Å; F105-Y132 HydrophobicContact CD2-CD2 3.99Å; F105-Y132 AromaticContact CD2-CG 3.78Å; F105-Y132 HydrophobicContact CD2-CG 3.78Å; F105-Y132 HydrophobicContact CG-CG 4.21Å; A108-Y132 HydrophobicContact CB-CE2 4.25Å; I128-Y132 HydrophobicContact CG2-CD2 4.33Å; I128-Y132 PolarHBondContact O-N 2.81Å; Y132-K139 HydrophobicContact CD1-CB 4.16Å; Y132-K139 WeakPolarHBondContact CD1-O 3.39Å; Y132-K139 HydrophobicContact CE1-CB 4.13Å; Y132-K139 HydrophobicContact CE1-CD 4.23Å; Y132-E140 WeakPolarHBondContact O-CA 3.49Å; Y132-V141 HydrophobicContact CD1-CG1 4.34Å; Y132-V141 WeakPolarHBondContact O-CG2 3.44Å; Y132-V141 PolarHBondContact O-N 3.13Å
133	I	97.9	Very high	96.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.249	C	C	.	.	I	π-helix	trans	-103.7	-30.2	-174.4	-51.2	-58.8	0	0	0	112.7	F105 Y129 V141 L143 R148 I151 F163	F105-I133 HydrophobicContact CE2-CD1 3.72Å; F105-I133 HydrophobicContact CZ-CD1 3.97Å; Y129-I133 HydrophobicContact CD2-CB 3.8Å; Y129-I133 HydrophobicContact CD2-CG1 4.33Å; Y129-I133 HydrophobicContact CD2-CG2 3.82Å; Y129-I133 HydrophobicContact CE2-CB 4.09Å; Y129-I133 HydrophobicContact CE2-CG2 3.67Å; Y129-I133 HydrophobicContact CG-CB 4.28Å; Y129-I133 PolarHBondContact O-N 2.75Å; I133-V141 HydrophobicContact CD1-CG2 4.27Å; I133-L143 HydrophobicContact CD1-CD1 3.56Å; I133-R148 HydrophobicContact CG2-CG 4.17Å; I133-I151 HydrophobicContact CD1-CD1 3.9Å; I133-I151 HydrophobicContact CG1-CD1 4.38Å; I133-I151 HydrophobicContact CG2-CD1 4.32Å; I133-I151 HydrophobicContact CG2-CG2 4.12Å; I133-F163 HydrophobicContact CD1-CD1 4.34Å; I133-F163 HydrophobicContact CG1-CD1 4.18Å; I133-F163 HydrophobicContact CG1-CE1 3.97Å
134	S	96	Very high	96.5	Very high	25 Å²	25	47.8 Å²	47.8	18%	0.175	26%	0.255	C	S	.	.			trans	-63.6	129.5	179.7	179.3	0	0	0	0	112.3	Y129 L136 S137	Y129-S134 PolarHBondContact O-N 3.17Å; S134-L136 PolarHBondContact O-N 2.66Å; S134-L136 PolarHBondContact OG-N 2.95Å; S134-S137 WeakPolarHBondContact O-CB 3.18Å; S134-S137 PolarHBondContact O-N 2.73Å
135	I	94.3	Very high	96.3	Very high	119 Å²	119	49.8 Å²	49.8	61%	0.61	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-6.5	171.5	57.7	168	0	0	0	114.8	E140	I135-E140 WeakPolarHBondContact CA-OE2 3.22Å
136	L	94.7	Very high	96.2	Very high	152 Å²	152	58 Å²	58	80%	0.796	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	5	177	-53.4	-178.7	0	0	0	111.9	S134	S134-L136 PolarHBondContact O-N 2.66Å; S134-L136 PolarHBondContact OG-N 2.95Å
137	S	95.3	Very high	96.1	Very high	15 Å²	15	56.5 Å²	56.5	11%	0.105	31%	0.306	C	S	.	.			trans	-86.1	135.2	179.6	-173.6	0	0	0	0	111.6	D131 S134 K139 E140	D131-S137 VanDerWaalsContact C-OG 3.3Å; D131-S137 WeakPolarHBondContact O-CB 3.43Å; D131-S137 PolarHBondContact O-OG 2.89Å; S134-S137 WeakPolarHBondContact O-CB 3.18Å; S134-S137 PolarHBondContact O-N 2.73Å; S137-K139 PolarHBondContact O-N 3.3Å; S137-K139 PolarHBondContact OG-N 3.31Å; S137-K139 VanDerWaalsContact OG-N 3.09Å; S137-E140 WeakPolarHBondContact O-CB 3.38Å; S137-E140 PolarHBondContact O-N 2.91Å
138	P	93.8	Very high	96	Very high	132 Å²	132	57.8 Å²	57.8	86%	0.857	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.9	168.6	32.4	-36.7	0	0	0	113.6
139	K	96.1	Very high	95.9	Very high	54 Å²	54	62.2 Å²	62.2	24%	0.235	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	25.5	174.4	-50.4	177.4	-171.8	173.3	0	111.5	D52 E101 D131 Y132 S137 V141	D52-K139 VanDerWaalsContact CG-NZ 3.29Å; D52-K139 IonicContact OD1-NZ 2.78Å; D52-K139 PolarHBondContact OD1-NZ 2.86Å; D52-K139 IonicContact OD2-NZ 3.64Å; D52-K139 PolarHBondContact OD2-NZ 3.31Å; E101-K139 HydrophobicContact CB-CB 4.04Å; D131-K139 CarbonylContact O-C 3.53Å; D131-K139 WeakPolarHBondContact O-CB 3.33Å; Y132-K139 HydrophobicContact CD1-CB 4.16Å; Y132-K139 WeakPolarHBondContact CD1-O 3.39Å; Y132-K139 HydrophobicContact CE1-CB 4.13Å; Y132-K139 HydrophobicContact CE1-CD 4.23Å; S137-K139 PolarHBondContact O-N 3.3Å; S137-K139 PolarHBondContact OG-N 3.31Å; S137-K139 VanDerWaalsContact OG-N 3.09Å; K139-V141 PolarHBondContact O-N 3.22Å
140	E	96.8	Very high	95.9	Very high	68 Å²	68	60.8 Å²	60.8	32%	0.318	33%	0.327	S	S	.	.			trans	-58.4	126.7	179.8	-177.4	-175.6	175.7	0	0	111.6	Y132 I135 S137 R148	Y132-E140 WeakPolarHBondContact O-CA 3.49Å; I135-E140 WeakPolarHBondContact CA-OE2 3.22Å; S137-E140 WeakPolarHBondContact O-CB 3.38Å; S137-E140 PolarHBondContact O-N 2.91Å; E140-R148 IonicContact OE1-CZ 2.63Å; E140-R148 IonicContact OE1-NH1 2.86Å; E140-R148 PolarHBondContact OE1-NH1 2.99Å; E140-R148 IonicContact OE1-NH2 2.97Å; E140-R148 PolarHBondContact OE1-NH2 3.26Å
141	V	97.6	Very high	95.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	32%	0.316	C	S	.	.			trans	-87.4	142.2	175.1	-64.2	0	0	0	0	111.9	E101 F105 Y132 I133 K139 L143 R148 I170	E101-V141 HydrophobicContact CG-CG1 4.1Å; F105-V141 HydrophobicContact CB-CG1 3.74Å; F105-V141 HydrophobicContact CD1-CG1 4.26Å; F105-V141 HydrophobicContact CD1-CG2 4.09Å; F105-V141 HydrophobicContact CE1-CG2 4.27Å; F105-V141 HydrophobicContact CG-CG1 4.04Å; F105-V141 HydrophobicContact CG-CG2 4.21Å; Y132-V141 HydrophobicContact CD1-CG1 4.34Å; Y132-V141 WeakPolarHBondContact O-CG2 3.44Å; Y132-V141 PolarHBondContact O-N 3.13Å; I133-V141 HydrophobicContact CD1-CG2 4.27Å; K139-V141 PolarHBondContact O-N 3.22Å; V141-L143 HydrophobicContact CG2-CD1 3.77Å; V141-L143 HydrophobicContact CG2-CD2 4.36Å; V141-L143 HydrophobicContact CG2-CG 3.82Å; V141-L143 PolarHBondContact O-N 3.46Å; V141-R148 PolarHBondContact O-NH2 2.83Å; V141-I170 HydrophobicContact CB-CD1 3.78Å; V141-I170 HydrophobicContact CB-CG1 4.1Å; V141-I170 HydrophobicContact CG2-CD1 4.07Å; V141-I170 HydrophobicContact CG2-CG1 4.06Å
142	S	95.4	Very high	95.8	Very high	89 Å²	89	61.1 Å²	61.1	62%	0.622	33%	0.331	S	S	*	.			trans	-71	108.1	179.6	-173.1	0	0	0	0	111.3	I170	S142-I170 WeakPolarHBondContact O-CD1 3.22Å
143	L	94.6	Very high	95.8	Very high	19 Å²	19	66.9 Å²	66.9	10%	0.099	35%	0.352	C	S	.	.			trans	-129.7	151.7	-176.2	-68	174.8	0	0	0	111.8	I133 V141 V147 I151 A166 Q169 I170	I133-L143 HydrophobicContact CD1-CD1 3.56Å; V141-L143 HydrophobicContact CG2-CD1 3.77Å; V141-L143 HydrophobicContact CG2-CD2 4.36Å; V141-L143 HydrophobicContact CG2-CG 3.82Å; V141-L143 PolarHBondContact O-N 3.46Å; L143-V147 HydrophobicContact CD2-CG1 4.44Å; L143-I151 HydrophobicContact CD1-CD1 4.38Å; L143-A166 HydrophobicContact CD1-CB 3.83Å; L143-A166 HydrophobicContact CD2-CB 3.7Å; L143-A166 HydrophobicContact CG-CB 4.46Å; L143-Q169 HydrophobicContact CD2-CB 4.1Å; L143-Q169 HydrophobicContact CD2-CG 4.13Å; L143-I170 HydrophobicContact CD2-CD1 3.71Å; L143-I170 HydrophobicContact CD2-CG1 3.81Å; L143-I170 HydrophobicContact CG-CD1 4.34Å
144	D	93.9	Very high	95.7	Very high	82 Å²	82	70.2 Å²	70.2	44%	0.439	37%	0.367	S	S	.	.			trans	-61.8	138.2	170	-75.2	5.5	0	0	0	110.2	R146 V147 R148 Q169	D144-R146 PolarHBondContact O-N 2.86Å; D144-R146 VanDerWaalsContact O-N 3.12Å; D144-V147 HydrophobicContact CB-CB 4.28Å; D144-V147 HydrophobicContact CB-CG2 3.99Å; D144-V147 WeakPolarHBondContact O-CB 3.44Å; D144-V147 PolarHBondContact O-N 3.28Å; D144-R148 PolarHBondContact O-N 3.06Å; D144-Q169 VanDerWaalsContact CG-NE2 3.28Å; D144-Q169 PolarHBondContact OD1-NE2 2.99Å
145	A	93.4	Very high	95.8	Very high	83 Å²	83	71.1 Å²	71.1	69%	0.686	37%	0.369	S	S	*	.	H	α-helix	trans	-52.5	-38.7	177	0	0	0	0	0	112.6	V147 R148 E149	A145-V147 PolarHBondContact O-N 3.41Å; A145-R148 PolarHBondContact O-N 3.3Å; A145-E149 WeakPolarHBondContact O-CB 3.25Å; A145-E149 PolarHBondContact O-N 3.34Å
146	R	95.2	Very high	95.9	Very high	171 Å²	171	73.8 Å²	73.8	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-62.4	-39.4	175.5	-176.9	179.1	63.2	91	4.7	113	D144 V150	D144-R146 PolarHBondContact O-N 2.86Å; D144-R146 VanDerWaalsContact O-N 3.12Å; R146-V150 WeakPolarHBondContact O-CG2 3.46Å; R146-V150 PolarHBondContact O-N 3.07Å; R146-V150 VanDerWaalsContact O-N 3.1Å
147	V	95.9	Very high	96	Very high	12 Å²	12	71 Å²	71	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-69.6	-42.7	178.6	172.4	0	0	0	0	109.9	L143 D144 A145 E149 V150 I151 D165 A166	L143-V147 HydrophobicContact CD2-CG1 4.44Å; D144-V147 HydrophobicContact CB-CB 4.28Å; D144-V147 HydrophobicContact CB-CG2 3.99Å; D144-V147 WeakPolarHBondContact O-CB 3.44Å; D144-V147 PolarHBondContact O-N 3.28Å; A145-V147 PolarHBondContact O-N 3.41Å; V147-E149 PolarHBondContact O-N 2.97Å; V147-V150 PolarHBondContact O-N 3.31Å; V147-I151 HydrophobicContact CG1-CD1 4.34Å; V147-I151 PolarHBondContact O-N 3.04Å; V147-D165 HydrophobicContact CG1-CB 4.31Å; V147-A166 HydrophobicContact CG1-CB 3.66Å
148	R	96.4	Very high	96.1	Very high	45 Å²	45	71 Å²	71	17%	0.17	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-43	173.7	-172.8	170.3	-64.1	-179.5	-4.4	112.5	I133 E140 V141 D144 A145 V150 I151 N152	I133-R148 HydrophobicContact CG2-CG 4.17Å; E140-R148 IonicContact OE1-CZ 2.63Å; E140-R148 IonicContact OE1-NH1 2.86Å; E140-R148 PolarHBondContact OE1-NH1 2.99Å; E140-R148 IonicContact OE1-NH2 2.97Å; E140-R148 PolarHBondContact OE1-NH2 3.26Å; V141-R148 PolarHBondContact O-NH2 2.83Å; D144-R148 PolarHBondContact O-N 3.06Å; A145-R148 PolarHBondContact O-N 3.3Å; R148-V150 PolarHBondContact O-N 2.8Å; R148-I151 PolarHBondContact O-N 2.66Å; R148-N152 PolarHBondContact O-N 2.74Å; R148-N152 PolarHBondContact O-OD1 3.23Å
149	E	96	Very high	96.3	Very high	100 Å²	100	67.8 Å²	67.8	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-39.4	176.4	-163.6	-159.4	146.1	0	0	112.6	A145 V147 N152 R153	A145-E149 WeakPolarHBondContact O-CB 3.25Å; A145-E149 PolarHBondContact O-N 3.34Å; V147-E149 PolarHBondContact O-N 2.97Å; E149-N152 PolarHBondContact O-N 3.35Å; E149-R153 PolarHBondContact O-N 3.47Å; E149-R153 IonicContact OE1-CZ 3.73Å; E149-R153 IonicContact OE1-NH1 3.21Å; E149-R153 PolarHBondContact OE1-NH1 2.95Å; E149-R153 IonicContact OE1-NH2 2.61Å
150	V	97.2	Very high	96.4	Very high	36 Å²	36	66.7 Å²	66.7	22%	0.218	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-44.1	173.2	168.5	0	0	0	0	111.2	R146 V147 R148 R153 K154	R146-V150 WeakPolarHBondContact O-CG2 3.46Å; R146-V150 PolarHBondContact O-N 3.07Å; R146-V150 VanDerWaalsContact O-N 3.1Å; V147-V150 PolarHBondContact O-N 3.31Å; R148-V150 PolarHBondContact O-N 2.8Å; V150-R153 PolarHBondContact O-N 3.2Å; V150-K154 HydrophobicContact CG1-CD 3.95Å; V150-K154 HydrophobicContact CG1-CG 4.39Å; V150-K154 WeakPolarHBondContact O-CG 3.23Å; V150-K154 PolarHBondContact O-N 2.78Å
151	I	97.7	Very high	96.4	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-47	174.9	-69.1	164.1	0	0	0	110.7	Y129 I133 L143 V147 R148 R153 K154 M155 F163 A166	Y129-I151 HydrophobicContact CD2-CG2 3.83Å; Y129-I151 HydrophobicContact CE2-CG2 4.08Å; I133-I151 HydrophobicContact CD1-CD1 3.9Å; I133-I151 HydrophobicContact CG1-CD1 4.38Å; I133-I151 HydrophobicContact CG2-CD1 4.32Å; I133-I151 HydrophobicContact CG2-CG2 4.12Å; L143-I151 HydrophobicContact CD1-CD1 4.38Å; V147-I151 HydrophobicContact CG1-CD1 4.34Å; V147-I151 PolarHBondContact O-N 3.04Å; R148-I151 PolarHBondContact O-N 2.66Å; I151-R153 PolarHBondContact O-N 3.16Å; I151-R153 VanDerWaalsContact O-N 3.14Å; I151-K154 PolarHBondContact O-N 3.37Å; I151-M155 HydrophobicContact CG2-CG 3.99Å; I151-M155 WeakPolarHBondContact O-CG 3.38Å; I151-M155 PolarHBondContact O-N 3.32Å; I151-F163 HydrophobicContact CD1-CD1 3.97Å; I151-F163 HydrophobicContact CG1-CD1 4.17Å; I151-F163 HydrophobicContact CG2-CD1 4.01Å; I151-F163 HydrophobicContact CG2-CE1 3.65Å; I151-A166 HydrophobicContact CD1-CB 3.63Å
152	N	96.1	Very high	96.4	Very high	73 Å²	73	67.9 Å²	67.9	39%	0.39	35%	0.346	S	S	.	.	H	α-helix	trans	-55.1	-34.8	179.9	-68.2	-8.2	0	0	0	112.6	Y129 R148 E149	Y129-N152 VanDerWaalsContact CE2-OD1 3.27Å; Y129-N152 WeakPolarHBondContact CE2-OD1 3.47Å; Y129-N152 PolarHBondContact OH-OD1 2.87Å; R148-N152 PolarHBondContact O-N 2.74Å; R148-N152 PolarHBondContact O-OD1 3.23Å; E149-N152 PolarHBondContact O-N 3.35Å
153	R	97.1	Very high	96.6	Very high	127 Å²	127	63.8 Å²	63.8	48%	0.479	32%	0.317	S	S	.	.	H	α-helix	trans	-72.4	-49.7	171.1	-72.8	-172.6	-75.1	-94.1	-2	112.6	E149 V150 I151 M155 Q156	E149-R153 PolarHBondContact O-N 3.47Å; E149-R153 IonicContact OE1-CZ 3.73Å; E149-R153 IonicContact OE1-NH1 3.21Å; E149-R153 PolarHBondContact OE1-NH1 2.95Å; E149-R153 IonicContact OE1-NH2 2.61Å; V150-R153 PolarHBondContact O-N 3.2Å; I151-R153 PolarHBondContact O-N 3.16Å; I151-R153 VanDerWaalsContact O-N 3.14Å; R153-M155 PolarHBondContact O-N 3.38Å; R153-Q156 WeakPolarHBondContact O-CG 3.38Å; R153-Q156 PolarHBondContact O-N 2.73Å; R153-Q156 VanDerWaalsContact O-N 3.17Å
154	K	96.7	Very high	96.7	Very high	70 Å²	70	67.5 Å²	67.5	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-28.1	-179.5	-70.7	176	173.1	180	0	112.6	V150 I151 Q156 D157 T162 D165	V150-K154 HydrophobicContact CG1-CD 3.95Å; V150-K154 HydrophobicContact CG1-CG 4.39Å; V150-K154 WeakPolarHBondContact O-CG 3.23Å; V150-K154 PolarHBondContact O-N 2.78Å; I151-K154 PolarHBondContact O-N 3.37Å; K154-Q156 PolarHBondContact O-N 3.09Å; K154-Q156 VanDerWaalsContact O-N 3.11Å; K154-D157 CarbonylContact O-C 3.31Å; K154-D157 VanDerWaalsContact O-C 3.31Å; K154-D157 PolarHBondContact O-N 2.99Å; K154-T162 HydrophobicContact CB-CG2 3.96Å; K154-T162 WeakPolarHBondContact CD-O 3.28Å; K154-D165 IonicContact NZ-OD2 3.88Å; K154-D165 PolarHBondContact NZ-OD2 3.4Å
155	M	97.5	Very high	96.9	Very high	44 Å²	44	67.3 Å²	67.3	22%	0.217	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.1	176.9	-73.8	-57.5	-58.5	0	0	115.4	A125 R126 Y129 I151 R153 T162 F163	A125-M155 HydrophobicContact CB-CE 4.42Å; A125-M155 HydrophobicContact CB-SD 4.33Å; R126-M155 HydrophobicContact CB-CE 4.43Å; Y129-M155 HydrophobicContact CD2-CG 3.7Å; Y129-M155 HydrophobicContact CD2-SD 4.17Å; Y129-M155 HydrophobicContact CE2-CG 4.19Å; Y129-M155 HydrophobicContact CG-CE 4.3Å; Y129-M155 HydrophobicContact CG-CG 4.31Å; Y129-M155 HydrophobicContact CG-SD 4.39Å; I151-M155 HydrophobicContact CG2-CG 3.99Å; I151-M155 WeakPolarHBondContact O-CG 3.38Å; I151-M155 PolarHBondContact O-N 3.32Å; R153-M155 PolarHBondContact O-N 3.38Å; M155-T162 HydrophobicContact SD-CG2 4.03Å; M155-F163 HydrophobicContact SD-CE1 4.28Å; M155-F163 HydrophobicContact SD-CZ 3.8Å
156	Q	96.4	Very high	97.1	Very high	175 Å²	175	63.3 Å²	63.3	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.9	172.2	-65.9	-176.5	0.5	0	0	113	R153 K154	R153-Q156 WeakPolarHBondContact O-CG 3.38Å; R153-Q156 PolarHBondContact O-N 2.73Å; R153-Q156 VanDerWaalsContact O-N 3.17Å; K154-Q156 PolarHBondContact O-N 3.09Å; K154-Q156 VanDerWaalsContact O-N 3.11Å
157	D	96.3	Very high	97.3	Very high	94 Å²	94	55.5 Å²	55.5	50%	0.503	27%	0.271	S	S	.	.	S	Bend	trans	-144	79.5	172.6	-170.1	39.2	0	0	0	108.5	K118 K154	K118-D157 WeakPolarHBondContact CE-OD1 3.47Å; K118-D157 IonicContact NZ-OD1 3.66Å; K118-D157 PolarHBondContact NZ-OD1 3.23Å; K118-D157 IonicContact NZ-OD2 2.74Å; K154-D157 CarbonylContact O-C 3.31Å; K154-D157 VanDerWaalsContact O-C 3.31Å; K154-D157 PolarHBondContact O-N 2.99Å
158	P	97.4	Very high	97.4	Very high	15 Å²	15	60.3 Å²	60.3	10%	0.097	30%	0.296	C	S	.	.			trans	-69.5	136.6	-170.8	27.8	-34.8	0	0	0	111.8	I121 E122 A125 T162	I121-P158 VanDerWaalsContact CG2-O 3.25Å; I121-P158 WeakPolarHBondContact CG2-O 3.46Å; E122-P158 HydrophobicContact CB-CG 4.38Å; E122-P158 HydrophobicContact CG-CG 3.94Å; A125-P158 HydrophobicContact CB-CB 3.63Å; A125-P158 HydrophobicContact CB-CG 4.17Å; P158-T162 WeakPolarHBondContact CA-OG1 3.31Å
159	T	98.1	Very high	97.4	Very high	64 Å²	64	60.4 Å²	60.4	39%	0.393	30%	0.298	S	S	.	.			trans	-111.5	170.1	175.7	72.5	0	0	0	0	111	H161 T162	T159-H161 PolarHBondContact O-N 3.04Å; T159-H161 PolarHBondContact OG1-N 2.64Å; T159-T162 PolarHBondContact N-OG1 3.39Å; T159-T162 WeakPolarHBondContact O-CB 3.31Å; T159-T162 PolarHBondContact O-N 3.21Å; T159-T162 VanDerWaalsContact O-N 3.08Å; T159-T162 PolarHBondContact O-OG1 3.4Å
160	P	98.1	Very high	97.6	Very high	32 Å²	32	55.7 Å²	55.7	21%	0.208	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.7	173.6	-25.3	36.4	0	0	0	114.1	I121	I121-P160 HydrophobicContact CD1-CG 3.72Å; I121-P160 HydrophobicContact CG1-CG 4.21Å
161	H	97.9	Very high	97.6	Very high	93 Å²	93	55.7 Å²	55.7	43%	0.431	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	13.8	-178.8	-52.4	-79.6	0	0	0	113.4	T159 F163 E164	T159-H161 PolarHBondContact O-N 3.04Å; T159-H161 PolarHBondContact OG1-N 2.64Å; H161-F163 PolarHBondContact O-N 3.25Å; H161-F163 VanDerWaalsContact O-N 3.14Å; H161-E164 IonicContact ND1-OE1 3.97Å; H161-E164 PolarHBondContact O-N 3.11Å
162	T	98.1	Very high	97.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-41.6	-177.8	-64.9	0	0	0	0	113.1	K154 M155 P158 T159	K154-T162 HydrophobicContact CB-CG2 3.96Å; K154-T162 WeakPolarHBondContact CD-O 3.28Å; M155-T162 HydrophobicContact SD-CG2 4.03Å; P158-T162 WeakPolarHBondContact CA-OG1 3.31Å; T159-T162 PolarHBondContact N-OG1 3.39Å; T159-T162 WeakPolarHBondContact O-CB 3.31Å; T159-T162 PolarHBondContact O-N 3.21Å; T159-T162 VanDerWaalsContact O-N 3.08Å; T159-T162 PolarHBondContact O-OG1 3.4Å
163	F	98.5	Very high	97.7	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.013	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	9.5	-171.5	-53.2	-78.9	0	0	0	114.4	F105 L112 A125 I128 I133 I151 M155 H161 D165 A166 Q167	F105-F163 HydrophobicContact CE2-CB 4.44Å; F105-F163 HydrophobicContact CE2-CD1 4.47Å; F105-F163 HydrophobicContact CZ-CB 4.2Å; L112-F163 HydrophobicContact CD2-CD2 3.54Å; L112-F163 HydrophobicContact CD2-CE2 3.64Å; A125-F163 HydrophobicContact CB-CE2 3.82Å; A125-F163 HydrophobicContact CB-CZ 4.11Å; A125-F163 WeakPolarHBondContact O-CZ 3.28Å; I128-F163 HydrophobicContact CB-CE2 4Å; I128-F163 HydrophobicContact CB-CZ 4.03Å; I128-F163 HydrophobicContact CD1-CD2 4.39Å; I128-F163 HydrophobicContact CD1-CE2 4.18Å; I128-F163 HydrophobicContact CG2-CD1 4.11Å; I128-F163 HydrophobicContact CG2-CD2 3.93Å; I128-F163 HydrophobicContact CG2-CE1 3.94Å; I128-F163 HydrophobicContact CG2-CE2 3.77Å; I128-F163 HydrophobicContact CG2-CG 4.12Å; I128-F163 HydrophobicContact CG2-CZ 3.77Å; I133-F163 HydrophobicContact CD1-CD1 4.34Å; I133-F163 HydrophobicContact CG1-CD1 4.18Å; I133-F163 HydrophobicContact CG1-CE1 3.97Å; I151-F163 HydrophobicContact CD1-CD1 3.97Å; I151-F163 HydrophobicContact CG1-CD1 4.17Å; I151-F163 HydrophobicContact CG2-CD1 4.01Å; I151-F163 HydrophobicContact CG2-CE1 3.65Å; M155-F163 HydrophobicContact SD-CE1 4.28Å; M155-F163 HydrophobicContact SD-CZ 3.8Å; H161-F163 PolarHBondContact O-N 3.25Å; H161-F163 VanDerWaalsContact O-N 3.14Å; F163-D165 VanDerWaalsContact C-N 3.34Å; F163-D165 PolarHBondContact O-N 2.91Å; F163-A166 PolarHBondContact O-N 3.38Å; F163-Q167 WeakPolarHBondContact O-CB 3.44Å; F163-Q167 PolarHBondContact O-N 2.95Å
164	E	97.5	Very high	97.8	Very high	97 Å²	97	51.4 Å²	51.4	45%	0.453	26%	0.26	S	S	.	.	H	α-helix	trans	-55	-44.6	-171.5	-174.3	161.1	-119.7	0	0	113.5	H161 A166 Q167 L168	H161-E164 IonicContact ND1-OE1 3.97Å; H161-E164 PolarHBondContact O-N 3.11Å; E164-A166 PolarHBondContact O-N 2.93Å; E164-Q167 PolarHBondContact O-N 3Å; E164-L168 PolarHBondContact O-N 3.48Å
165	D	97.3	Very high	97.8	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.6	-54.1	-68.8	0	0	0	112.4	V147 K154 F163 Q169	V147-D165 HydrophobicContact CG1-CB 4.31Å; K154-D165 IonicContact NZ-OD2 3.88Å; K154-D165 PolarHBondContact NZ-OD2 3.4Å; F163-D165 VanDerWaalsContact C-N 3.34Å; F163-D165 PolarHBondContact O-N 2.91Å; D165-Q169 PolarHBondContact O-N 3.47Å; D165-Q169 VanDerWaalsContact O-N 3.09Å
166	A	98.3	Very high	97.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-73.4	-38.9	179.2	0	0	0	0	0	112.1	F105 L143 V147 I151 F163 E164 L168 Q169 I170	F105-A166 HydrophobicContact CE1-CB 4.14Å; F105-A166 HydrophobicContact CZ-CB 3.82Å; L143-A166 HydrophobicContact CD1-CB 3.83Å; L143-A166 HydrophobicContact CD2-CB 3.7Å; L143-A166 HydrophobicContact CG-CB 4.46Å; V147-A166 HydrophobicContact CG1-CB 3.66Å; I151-A166 HydrophobicContact CD1-CB 3.63Å; F163-A166 PolarHBondContact O-N 3.38Å; E164-A166 PolarHBondContact O-N 2.93Å; A166-L168 VanDerWaalsContact C-N 3.28Å; A166-L168 PolarHBondContact O-N 3.32Å; A166-Q169 WeakPolarHBondContact O-CB 3.24Å; A166-Q169 PolarHBondContact O-N 2.66Å; A166-Q169 VanDerWaalsContact O-N 3.14Å; A166-I170 WeakPolarHBondContact O-CG1 3.39Å; A166-I170 PolarHBondContact O-N 2.65Å
167	Q	98.5	Very high	97.9	Very high	7 Å²	7	54.4 Å²	54.4	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-39.9	175.8	-168.6	-169.3	16.3	0	0	110.8	W106 C109 E110 F163 E164 Y171	W106-Q167 VanDerWaalsContact CD1-CG 3.44Å; W106-Q167 HydrophobicContact CG-CG 4.17Å; W106-Q167 PolarHBondContact O-NE2 2.96Å; C109-Q167 HydrophobicContact CB-CB 4.15Å; C109-Q167 HydrophobicContact CB-CG 3.78Å; E110-Q167 PolarHBondContact OE1-NE2 3.32Å; F163-Q167 WeakPolarHBondContact O-CB 3.44Å; F163-Q167 PolarHBondContact O-N 2.95Å; E164-Q167 PolarHBondContact O-N 3Å; Q167-Y171 WeakPolarHBondContact O-CB 3.44Å; Q167-Y171 PolarHBondContact O-N 3.13Å
168	L	97.8	Very high	98	Very high	113 Å²	113	50.1 Å²	50.1	59%	0.592	25%	0.245	S	C	*	.	H	α-helix	trans	-65.3	-39.2	172.9	-179.8	60.7	0	0	0	112.1	E164 A166 T172	E164-L168 PolarHBondContact O-N 3.48Å; A166-L168 VanDerWaalsContact C-N 3.28Å; A166-L168 PolarHBondContact O-N 3.32Å; L168-T172 WeakPolarHBondContact O-CB 3.19Å; L168-T172 PolarHBondContact O-N 2.85Å; L168-T172 PolarHBondContact O-OG1 3.48Å
169	Q	98.1	Very high	98.1	Very high	47 Å²	47	50.2 Å²	50.2	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-50	174.6	-179.2	164.7	23.6	0	0	111.5	L143 D144 D165 A166 T172 L173	L143-Q169 HydrophobicContact CD2-CB 4.1Å; L143-Q169 HydrophobicContact CD2-CG 4.13Å; D144-Q169 VanDerWaalsContact CG-NE2 3.28Å; D144-Q169 PolarHBondContact OD1-NE2 2.99Å; D165-Q169 PolarHBondContact O-N 3.47Å; D165-Q169 VanDerWaalsContact O-N 3.09Å; A166-Q169 WeakPolarHBondContact O-CB 3.24Å; A166-Q169 PolarHBondContact O-N 2.66Å; A166-Q169 VanDerWaalsContact O-N 3.14Å; Q169-T172 WeakPolarHBondContact O-CB 3.35Å; Q169-T172 PolarHBondContact O-N 3.45Å; Q169-T172 VanDerWaalsContact O-N 3.16Å; Q169-L173 PolarHBondContact O-N 2.79Å
170	I	98.4	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-35.9	-179.9	-61.3	-51.9	0	0	0	112.2	N102 F105 V141 S142 L143 A166 T172 L173 M174	N102-I170 HydrophobicContact CB-CG2 3.55Å; N102-I170 WeakPolarHBondContact O-CG2 3.37Å; F105-I170 HydrophobicContact CD1-CB 4.01Å; F105-I170 HydrophobicContact CD1-CG1 3.71Å; F105-I170 HydrophobicContact CD1-CG2 4.15Å; F105-I170 HydrophobicContact CE1-CB 4.21Å; F105-I170 HydrophobicContact CE1-CG1 3.73Å; V141-I170 HydrophobicContact CB-CD1 3.78Å; V141-I170 HydrophobicContact CB-CG1 4.1Å; V141-I170 HydrophobicContact CG2-CD1 4.07Å; V141-I170 HydrophobicContact CG2-CG1 4.06Å; S142-I170 WeakPolarHBondContact O-CD1 3.22Å; L143-I170 HydrophobicContact CD2-CD1 3.71Å; L143-I170 HydrophobicContact CD2-CG1 3.81Å; L143-I170 HydrophobicContact CG-CD1 4.34Å; A166-I170 WeakPolarHBondContact O-CG1 3.39Å; A166-I170 PolarHBondContact O-N 2.65Å; I170-T172 VanDerWaalsContact C-N 3.32Å; I170-T172 PolarHBondContact O-N 2.87Å; I170-L173 HydrophobicContact CD1-CD2 4.17Å; I170-L173 PolarHBondContact O-N 3.28Å; I170-M174 HydrophobicContact CG2-CE 4.27Å; I170-M174 WeakPolarHBondContact O-CG 3.22Å; I170-M174 PolarHBondContact O-N 3.35Å
171	Y	98.4	Very high	98.1	Very high	37 Å²	37	53.5 Å²	53.5	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-44.5	169.6	-177.4	-89.4	0	0	0	111.4	F77 D78 M81 W106 Q167 H175	F77-Y171 HydrophobicContact CD1-CD1 4.29Å; F77-Y171 HydrophobicContact CD1-CD2 4.2Å; F77-Y171 AromaticContact CD1-CE1 3.7Å; F77-Y171 HydrophobicContact CD1-CE1 3.7Å; F77-Y171 AromaticContact CD1-CE2 3.63Å; F77-Y171 HydrophobicContact CD1-CE2 3.63Å; F77-Y171 AromaticContact CD1-CZ 3.33Å; F77-Y171 WeakPolarHBondContact CD1-OH 3.43Å; F77-Y171 HydrophobicContact CE1-CD1 4.22Å; F77-Y171 AromaticContact CE1-CD2 3.65Å; F77-Y171 HydrophobicContact CE1-CD2 3.65Å; F77-Y171 HydrophobicContact CE1-CE1 4.05Å; F77-Y171 AromaticContact CE1-CE2 3.49Å; F77-Y171 HydrophobicContact CE1-CE2 3.49Å; F77-Y171 VanDerWaalsContact CE1-CE2 3.49Å; F77-Y171 HydrophobicContact CE1-CG 4.02Å; F77-Y171 AromaticContact CE1-CZ 3.69Å; F77-Y171 WeakPolarHBondContact CE1-O 3.46Å; D78-Y171 PolarHBondContact N-OH 3.33Å; D78-Y171 PolarHBondContact OD1-OH 3.49Å; M81-Y171 HydrophobicContact CB-CE2 4.16Å; M81-Y171 HydrophobicContact CE-CD2 4.41Å; M81-Y171 HydrophobicContact CG-CE2 3.84Å; W106-Y171 AromaticContact NE1-CD2 3.54Å; Q167-Y171 WeakPolarHBondContact O-CB 3.44Å; Q167-Y171 PolarHBondContact O-N 3.13Å; Y171-H175 VanDerWaalsContact O-CB 3.26Å; Y171-H175 WeakPolarHBondContact O-CB 3.5Å; Y171-H175 PolarHBondContact O-N 2.96Å
172	T	98	Very high	98.1	Very high	47 Å²	47	49.1 Å²	49.1	29%	0.288	23%	0.233	S	C	.	.	H	α-helix	trans	-67.9	-36.8	178.7	-57.5	0	0	0	0	112.1	L168 Q169 I170 H175 R176	L168-T172 WeakPolarHBondContact O-CB 3.19Å; L168-T172 PolarHBondContact O-N 2.85Å; L168-T172 PolarHBondContact O-OG1 3.48Å; Q169-T172 WeakPolarHBondContact O-CB 3.35Å; Q169-T172 PolarHBondContact O-N 3.45Å; Q169-T172 VanDerWaalsContact O-N 3.16Å; I170-T172 VanDerWaalsContact C-N 3.32Å; I170-T172 PolarHBondContact O-N 2.87Å; T172-H175 PolarHBondContact O-N 3.01Å; T172-R176 HydrophobicContact CG2-CG 4.34Å; T172-R176 WeakPolarHBondContact O-CB 3.34Å; T172-R176 WeakPolarHBondContact O-CG 3.42Å; T172-R176 PolarHBondContact O-N 3.45Å
173	L	97.6	Very high	98	Very high	64 Å²	64	51 Å²	51	34%	0.335	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-56.4	173.4	178.5	63.6	0	0	0	110.7	Q169 I170 H175 R176 D177	Q169-L173 PolarHBondContact O-N 2.79Å; I170-L173 HydrophobicContact CD1-CD2 4.17Å; I170-L173 PolarHBondContact O-N 3.28Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.3Å; L173-R176 PolarHBondContact O-N 3.4Å; L173-D177 PolarHBondContact O-N 3.18Å
174	M	98.3	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-58.6	-40.1	177.5	-70.6	-171.9	-65.2	0	0	112.3	F77 M81 F90 L94 N102 M103 W106 I170 S178 Y179	F77-M174 HydrophobicContact CE1-CB 4.26Å; F77-M174 HydrophobicContact CZ-CB 3.69Å; F77-M174 HydrophobicContact CZ-CE 4.4Å; M81-M174 HydrophobicContact CE-CE 4.21Å; F90-M174 HydrophobicContact CE1-CB 4.15Å; F90-M174 HydrophobicContact CE1-CG 4.46Å; F90-M174 HydrophobicContact CE1-SD 3.99Å; F90-M174 HydrophobicContact CZ-CB 4.17Å; L94-M174 HydrophobicContact CD1-SD 3.9Å; N102-M174 HydrophobicContact CB-CG 3.79Å; N102-M174 HydrophobicContact CB-SD 3.71Å; M103-M174 HydrophobicContact CB-SD 4.34Å; M103-M174 HydrophobicContact CE-SD 4.29Å; W106-M174 HydrophobicContact CB-CE 4.14Å; W106-M174 HydrophobicContact CG-CE 4.35Å; I170-M174 HydrophobicContact CG2-CE 4.27Å; I170-M174 WeakPolarHBondContact O-CG 3.22Å; I170-M174 PolarHBondContact O-N 3.35Å; M174-S178 PolarHBondContact O-N 3.24Å; M174-Y179 VanDerWaalsContact O-CB 3.29Å; M174-Y179 WeakPolarHBondContact O-CB 3.42Å; M174-Y179 PolarHBondContact O-N 3.05Å
175	H	98.4	Very high	97.9	Very high	76 Å²	76	50.7 Å²	50.7	35%	0.352	25%	0.252	S	S	.	.	I	π-helix	trans	-64.7	-41.5	178.9	-175.4	-165.4	0	0	0	112.7	F77 Y171 T172 L173 Y179 P180	F77-H175 HydrophobicContact CB-CB 4.45Å; F77-H175 WeakPolarHBondContact CB-CD2 3.29Å; F77-H175 HydrophobicContact CD1-CB 3.46Å; F77-H175 VanDerWaalsContact CD1-CB 3.46Å; F77-H175 AromaticContact CD1-CG 3.76Å; F77-H175 HydrophobicContact CE1-CB 3.82Å; F77-H175 HydrophobicContact CG-CB 4.03Å; F77-H175 AromaticContact CG-CD2 3.84Å; Y171-H175 VanDerWaalsContact O-CB 3.26Å; Y171-H175 WeakPolarHBondContact O-CB 3.5Å; Y171-H175 PolarHBondContact O-N 2.96Å; T172-H175 PolarHBondContact O-N 3.01Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.3Å; H175-Y179 AromaticContact CD2-CD1 3.79Å; H175-P180 WeakPolarHBondContact O-CD 3.28Å
176	R	97.9	Very high	97.7	Very high	203 Å²	203	53 Å²	53	77%	0.766	26%	0.264	S	S	*	.	I	π-helix	trans	-84.9	-29.2	-173	-72.2	-177	176.7	-164.6	-0.7	113.9	T172 L173	T172-R176 HydrophobicContact CG2-CG 4.34Å; T172-R176 WeakPolarHBondContact O-CB 3.34Å; T172-R176 WeakPolarHBondContact O-CG 3.42Å; T172-R176 PolarHBondContact O-N 3.45Å; L173-R176 PolarHBondContact O-N 3.4Å
177	D	97.7	Very high	97.5	Very high	73 Å²	73	55.1 Å²	55.1	39%	0.39	28%	0.275	S	S	.	.	I	π-helix	trans	-112.6	-63.6	-174.3	173	55.5	0	0	0	112.9	L173 P180 R181	L173-D177 PolarHBondContact O-N 3.18Å; D177-P180 WeakPolarHBondContact O-CD 3.47Å; D177-R181 PolarHBondContact O-NE 3.43Å; D177-R181 IonicContact OD1-CZ 2.74Å; D177-R181 IonicContact OD1-NE 3.74Å; D177-R181 PolarHBondContact OD1-NE 2.8Å; D177-R181 IonicContact OD1-NH2 2.83Å; D177-R181 PolarHBondContact OD1-NH2 3.14Å; D177-R181 IonicContact OD2-CZ 3.83Å; D177-R181 IonicContact OD2-NE 3.34Å; D177-R181 IonicContact OD2-NH2 3.98Å; D177-R181 PolarHBondContact OD2-NH2 3.32Å
178	S	98.1	Very high	97.2	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.021	28%	0.276	C	S	.	.	I	π-helix	trans	-71.8	-36.3	-172.4	-38.8	0	0	0	0	113	F93 L94 M174 R181 F182	F93-S178 VanDerWaalsContact CE1-O 3.25Å; F93-S178 WeakPolarHBondContact CE1-O 3.44Å; L94-S178 VanDerWaalsContact CD2-CB 3.5Å; M174-S178 PolarHBondContact O-N 3.24Å; S178-R181 PolarHBondContact O-N 3.04Å; S178-F182 WeakPolarHBondContact O-CB 3.47Å; S178-F182 PolarHBondContact O-N 3.14Å
179	Y	98.4	Very high	97	Very high	18 Å²	18	55 Å²	55	7%	0.071	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-43.9	-175.2	168.6	-109.1	0	0	0	114.4	W73 S74 S76 F77 L80 M174 H175 R181 F182 L183	W73-Y179 WeakPolarHBondContact O-CE2 3.39Å; W73-Y179 PolarHBondContact O-OH 3.46Å; S74-Y179 PolarHBondContact O-OH 3.3Å; S76-Y179 VanDerWaalsContact C-OH 3.29Å; F77-Y179 HydrophobicContact CB-CD1 4.11Å; F77-Y179 HydrophobicContact CB-CE1 4.04Å; F77-Y179 HydrophobicContact CB-CE2 4.45Å; F77-Y179 HydrophobicContact CB-CG 4.33Å; F77-Y179 HydrophobicContact CD2-CD1 4.19Å; F77-Y179 AromaticContact CD2-CD2 3.51Å; F77-Y179 HydrophobicContact CD2-CD2 3.51Å; F77-Y179 HydrophobicContact CD2-CE2 4.05Å; F77-Y179 AromaticContact CD2-CG 3.56Å; F77-Y179 HydrophobicContact CD2-CG 3.56Å; F77-Y179 HydrophobicContact CE2-CD2 4.2Å; F77-Y179 HydrophobicContact CE2-CG 4.24Å; F77-Y179 HydrophobicContact CG-CD1 4.45Å; F77-Y179 HydrophobicContact CG-CD2 4.45Å; F77-Y179 HydrophobicContact CG-CG 4.25Å; F77-Y179 PolarHBondContact N-OH 3.38Å; L80-Y179 HydrophobicContact CB-CE2 4.42Å; L80-Y179 HydrophobicContact CD2-CD2 3.6Å; L80-Y179 HydrophobicContact CD2-CE2 3.79Å; M174-Y179 VanDerWaalsContact O-CB 3.29Å; M174-Y179 WeakPolarHBondContact O-CB 3.42Å; M174-Y179 PolarHBondContact O-N 3.05Å; H175-Y179 AromaticContact CD2-CD1 3.79Å; Y179-R181 VanDerWaalsContact C-N 3.28Å; Y179-R181 PolarHBondContact O-N 2.85Å; Y179-F182 HydrophobicContact CD2-CD1 4.27Å; Y179-F182 WeakPolarHBondContact O-CB 3.15Å; Y179-F182 PolarHBondContact O-N 3.32Å; Y179-L183 HydrophobicContact CD2-CG 4.31Å; Y179-L183 HydrophobicContact CE1-CD1 4.06Å; Y179-L183 HydrophobicContact CE2-CD1 3.96Å; Y179-L183 HydrophobicContact CE2-CD2 3.99Å; Y179-L183 HydrophobicContact CE2-CG 3.96Å; Y179-L183 PolarHBondContact O-N 3.12Å
180	P	98.1	Very high	96.6	Very high	62 Å²	62	57.2 Å²	57.2	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-37.2	171.3	-26.2	35.3	0	0	0	113.2	H175 D177 S184	H175-P180 WeakPolarHBondContact O-CD 3.28Å; D177-P180 WeakPolarHBondContact O-CD 3.47Å; P180-S184 WeakPolarHBondContact O-CB 3.48Å; P180-S184 PolarHBondContact O-N 3.34Å; P180-S184 PolarHBondContact O-OG 3.36Å
181	R	98.3	Very high	96.2	Very high	103 Å²	103	59.9 Å²	59.9	39%	0.389	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-40.7	174.7	-65.1	-167.5	-77.1	144.1	-9.2	111.6	F93 E97 D177 S178 Y179 S184 S185	F93-R181 HydrophobicContact CZ-CB 3.73Å; E97-R181 IonicContact OE1-CZ 3.58Å; E97-R181 IonicContact OE1-NE 3.99Å; E97-R181 IonicContact OE1-NH1 2.7Å; E97-R181 PolarHBondContact OE1-NH1 2.98Å; E97-R181 IonicContact OE2-CZ 2.65Å; E97-R181 IonicContact OE2-NE 2.71Å; E97-R181 IonicContact OE2-NH1 2.68Å; E97-R181 PolarHBondContact OE2-NH1 2.98Å; E97-R181 IonicContact OE2-NH2 3.08Å; E97-R181 PolarHBondContact OE2-NH2 3.49Å; D177-R181 PolarHBondContact O-NE 3.43Å; D177-R181 IonicContact OD1-CZ 2.74Å; D177-R181 IonicContact OD1-NE 3.74Å; D177-R181 PolarHBondContact OD1-NE 2.8Å; D177-R181 IonicContact OD1-NH2 2.83Å; D177-R181 PolarHBondContact OD1-NH2 3.14Å; D177-R181 IonicContact OD2-CZ 3.83Å; D177-R181 IonicContact OD2-NE 3.34Å; D177-R181 IonicContact OD2-NH2 3.98Å; D177-R181 PolarHBondContact OD2-NH2 3.32Å; S178-R181 PolarHBondContact O-N 3.04Å; Y179-R181 VanDerWaalsContact C-N 3.28Å; Y179-R181 PolarHBondContact O-N 2.85Å; R181-S184 CarbonylContact O-C 3.46Å; R181-S184 WeakPolarHBondContact O-CA 3.43Å; R181-S184 WeakPolarHBondContact O-CB 3.34Å; R181-S184 PolarHBondContact O-N 3.07Å; R181-S184 VanDerWaalsContact O-N 3.09Å; R181-S185 PolarHBondContact O-N 3.14Å
182	F	98	Very high	95.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-56.7	-50.6	173.6	168.7	-114.5	0	0	0	112.4	W73 L80 V89 F90 F93 S178 Y179 S184 S185 I187 Y188	W73-F182 HydrophobicContact CE3-CZ 4.35Å; L80-F182 HydrophobicContact CD1-CE1 3.91Å; L80-F182 HydrophobicContact CD1-CZ 4.44Å; L80-F182 HydrophobicContact CD2-CD1 4.02Å; L80-F182 HydrophobicContact CD2-CE1 3.94Å; V89-F182 HydrophobicContact CG1-CE2 3.77Å; V89-F182 HydrophobicContact CG1-CZ 3.85Å; F90-F182 HydrophobicContact CD2-CB 3.75Å; F90-F182 AromaticContact CD2-CD1 3.91Å; F90-F182 HydrophobicContact CD2-CD1 3.91Å; F90-F182 HydrophobicContact CD2-CD2 4.01Å; F90-F182 AromaticContact CD2-CG 3.6Å; F90-F182 HydrophobicContact CD2-CG 3.6Å; F90-F182 HydrophobicContact CE2-CB 3.75Å; F90-F182 HydrophobicContact CE2-CG 4.12Å; F93-F182 HydrophobicContact CB-CD2 3.65Å; F93-F182 HydrophobicContact CB-CE2 4.23Å; F93-F182 HydrophobicContact CD1-CB 3.67Å; F93-F182 HydrophobicContact CD1-CD2 4.09Å; F93-F182 HydrophobicContact CD1-CG 4.29Å; F93-F182 HydrophobicContact CD2-CB 4.36Å; F93-F182 HydrophobicContact CD2-CD2 4.13Å; F93-F182 HydrophobicContact CE1-CB 3.72Å; F93-F182 HydrophobicContact CE2-CB 4.4Å; F93-F182 HydrophobicContact CG-CB 4Å; F93-F182 AromaticContact CG-CD2 3.67Å; F93-F182 HydrophobicContact CG-CD2 3.67Å; F93-F182 HydrophobicContact CG-CG 4.3Å; F93-F182 HydrophobicContact CZ-CB 4.09Å; F93-F182 VanDerWaalsContact CZ-N 3.3Å; S178-F182 WeakPolarHBondContact O-CB 3.47Å; S178-F182 PolarHBondContact O-N 3.14Å; Y179-F182 HydrophobicContact CD2-CD1 4.27Å; Y179-F182 WeakPolarHBondContact O-CB 3.15Å; Y179-F182 PolarHBondContact O-N 3.32Å; F182-S184 PolarHBondContact O-N 3.31Å; F182-S185 VanDerWaalsContact O-CB 3.23Å; F182-S185 WeakPolarHBondContact O-CB 3.44Å; F182-S185 PolarHBondContact O-N 2.98Å; F182-S185 PolarHBondContact O-OG 3.03Å; F182-I187 HydrophobicContact CE2-CG2 4.48Å; F182-Y188 AromaticContact CE1-CD2 3.88Å; F182-Y188 HydrophobicContact CE1-CD2 3.88Å; F182-Y188 HydrophobicContact CE1-CG 4.41Å; F182-Y188 AromaticContact CZ-CD2 3.79Å; F182-Y188 HydrophobicContact CZ-CD2 3.79Å; F182-Y188 HydrophobicContact CZ-CG 4.32Å; F182-Y188 VanDerWaalsContact O-CB 3.25Å; F182-Y188 WeakPolarHBondContact O-CB 3.49Å
183	L	96.9	Very high	94.8	Very high	41 Å²	41	63.3 Å²	63.3	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-26.4	177.5	-63.2	-175.4	0	0	0	112.7	Y179 Y188	Y179-L183 HydrophobicContact CD2-CG 4.31Å; Y179-L183 HydrophobicContact CE1-CD1 4.06Å; Y179-L183 HydrophobicContact CE2-CD1 3.96Å; Y179-L183 HydrophobicContact CE2-CD2 3.99Å; Y179-L183 HydrophobicContact CE2-CG 3.96Å; Y179-L183 PolarHBondContact O-N 3.12Å; L183-Y188 HydrophobicContact CB-CD1 4.46Å; L183-Y188 HydrophobicContact CD2-CD1 4.09Å; L183-Y188 HydrophobicContact CD2-CD2 4.21Å; L183-Y188 HydrophobicContact CD2-CE1 3.94Å; L183-Y188 HydrophobicContact CD2-CE2 4.08Å; L183-Y188 HydrophobicContact CD2-CG 4.22Å; L183-Y188 WeakPolarHBondContact O-CD1 3.28Å
184	S	96.5	Very high	93.4	Very high	75 Å²	75	62.3 Å²	62.3	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-83.9	-13	175.6	-56.8	0	0	0	0	113.3	P180 R181 F182 K189	P180-S184 WeakPolarHBondContact O-CB 3.48Å; P180-S184 PolarHBondContact O-N 3.34Å; P180-S184 PolarHBondContact O-OG 3.36Å; R181-S184 CarbonylContact O-C 3.46Å; R181-S184 WeakPolarHBondContact O-CA 3.43Å; R181-S184 WeakPolarHBondContact O-CB 3.34Å; R181-S184 PolarHBondContact O-N 3.07Å; R181-S184 VanDerWaalsContact O-N 3.09Å; F182-S184 PolarHBondContact O-N 3.31Å; S184-K189 WeakPolarHBondContact O-CE 3.47Å; S184-K189 PolarHBondContact O-NZ 3.21Å
185	S	96.5	Very high	91.4	Very high	19 Å²	19	63.3 Å²	63.3	13%	0.133	34%	0.335	C	S	.	.	S	Bend	trans	-74.7	158.2	-172.7	77.8	0	0	0	0	113.7	R181 F182 I187 Y188 K189	R181-S185 PolarHBondContact O-N 3.14Å; F182-S185 VanDerWaalsContact O-CB 3.23Å; F182-S185 WeakPolarHBondContact O-CB 3.44Å; F182-S185 PolarHBondContact O-N 2.98Å; F182-S185 PolarHBondContact O-OG 3.03Å; S185-I187 PolarHBondContact O-N 3.16Å; S185-I187 PolarHBondContact OG-N 3.02Å; S185-Y188 PolarHBondContact OG-N 2.99Å; S185-K189 WeakPolarHBondContact O-CB 3.36Å; S185-K189 WeakPolarHBondContact O-CD 3.47Å; S185-K189 VanDerWaalsContact O-CG 3.31Å; S185-K189 WeakPolarHBondContact O-CG 3.32Å; S185-K189 PolarHBondContact O-N 3.46Å; S185-K189 VanDerWaalsContact O-N 3.11Å
186	N	94.1	Very high	89.1	Confident	126 Å²	126	63.1 Å²	63.1	67%	0.674	34%	0.343	S	S	*	.	H	α-helix	trans	-66.2	-26.2	172	-72.1	-11.4	0	0	0	112.5	T190	N186-T190 WeakPolarHBondContact O-CB 3.32Å; N186-T190 PolarHBondContact O-N 2.91Å; N186-T190 PolarHBondContact O-OG1 3.34Å
187	I	93.1	Very high	86.7	Confident	43 Å²	43	64.1 Å²	64.1	22%	0.221	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-55.1	176.6	-61.5	174.9	0	0	0	109.2	V89 F93 T96 F182 S185 L191	V89-I187 HydrophobicContact CG1-CG2 3.82Å; F93-I187 HydrophobicContact CB-CD1 4.03Å; F93-I187 HydrophobicContact CD2-CD1 4.31Å; T96-I187 HydrophobicContact CG2-CD1 4.27Å; F182-I187 HydrophobicContact CE2-CG2 4.48Å; S185-I187 PolarHBondContact O-N 3.16Å; S185-I187 PolarHBondContact OG-N 3.02Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 3.49Å
188	Y	93.5	Very high	84.1	Confident	17 Å²	17	66.3 Å²	66.3	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-65	-47.2	178.5	-178	-106.7	0	0	0	112.5	I70 W73 S74 F182 L183 S185 T190 L191 V192	I70-Y188 HydrophobicContact CG2-CD2 4.31Å; I70-Y188 HydrophobicContact CG2-CE2 3.67Å; I70-Y188 PolarHBondContact O-OH 3.21Å; W73-Y188 HydrophobicContact CB-CE2 4.39Å; W73-Y188 HydrophobicContact CE3-CD2 4.29Å; W73-Y188 HydrophobicContact CE3-CE2 4.12Å; S74-Y188 VanDerWaalsContact CB-OH 3.28Å; S74-Y188 WeakPolarHBondContact CB-OH 3.16Å; S74-Y188 PolarHBondContact OG-OH 3.47Å; F182-Y188 AromaticContact CE1-CD2 3.88Å; F182-Y188 HydrophobicContact CE1-CD2 3.88Å; F182-Y188 HydrophobicContact CE1-CG 4.41Å; F182-Y188 AromaticContact CZ-CD2 3.79Å; F182-Y188 HydrophobicContact CZ-CD2 3.79Å; F182-Y188 HydrophobicContact CZ-CG 4.32Å; F182-Y188 VanDerWaalsContact O-CB 3.25Å; F182-Y188 WeakPolarHBondContact O-CB 3.49Å; L183-Y188 HydrophobicContact CB-CD1 4.46Å; L183-Y188 HydrophobicContact CD2-CD1 4.09Å; L183-Y188 HydrophobicContact CD2-CD2 4.21Å; L183-Y188 HydrophobicContact CD2-CE1 3.94Å; L183-Y188 HydrophobicContact CD2-CE2 4.08Å; L183-Y188 HydrophobicContact CD2-CG 4.22Å; L183-Y188 WeakPolarHBondContact O-CD1 3.28Å; S185-Y188 PolarHBondContact OG-N 2.99Å; Y188-T190 VanDerWaalsContact C-N 3.31Å; Y188-T190 PolarHBondContact O-N 3.44Å; Y188-L191 PolarHBondContact O-N 2.99Å; Y188-L191 VanDerWaalsContact O-N 3.14Å; Y188-V192 HydrophobicContact CD1-CG2 4.24Å; Y188-V192 HydrophobicContact CE1-CG2 3.73Å; Y188-V192 HydrophobicContact CE2-CG2 4.1Å; Y188-V192 PolarHBondContact O-N 3.37Å
189	K	92.4	Very high	81.6	Confident	100 Å²	100	71.3 Å²	71.3	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-58.8	-40.3	-179.3	-73.2	167.5	175.8	164.8	0	112.8	S184 S185 L191 V192 L193	S184-K189 WeakPolarHBondContact O-CE 3.47Å; S184-K189 PolarHBondContact O-NZ 3.21Å; S185-K189 WeakPolarHBondContact O-CB 3.36Å; S185-K189 WeakPolarHBondContact O-CD 3.47Å; S185-K189 VanDerWaalsContact O-CG 3.31Å; S185-K189 WeakPolarHBondContact O-CG 3.32Å; S185-K189 PolarHBondContact O-N 3.46Å; S185-K189 VanDerWaalsContact O-N 3.11Å; K189-L191 VanDerWaalsContact C-N 3.32Å; K189-L191 PolarHBondContact O-N 2.95Å; K189-V192 PolarHBondContact O-N 3.49Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 VanDerWaalsContact O-CG 3.29Å; K189-L193 WeakPolarHBondContact O-CG 3.26Å; K189-L193 PolarHBondContact O-N 3.19Å
190	T	90.8	Very high	79	Confident	94 Å²	94	75.7 Å²	75.7	58%	0.577	43%	0.431	S	S	*	.	H	α-helix	trans	-65.9	-34.5	179.2	-56.9	0	0	0	0	111.8	N186 Y188 G194	N186-T190 WeakPolarHBondContact O-CB 3.32Å; N186-T190 PolarHBondContact O-N 2.91Å; N186-T190 PolarHBondContact O-OG1 3.34Å; Y188-T190 VanDerWaalsContact C-N 3.31Å; Y188-T190 PolarHBondContact O-N 3.44Å; T190-G194 WeakPolarHBondContact O-CA 3.25Å; T190-G194 PolarHBondContact O-N 3.23Å
191	L	88.9	Confident	76	Confident	57 Å²	57	81.8 Å²	81.8	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-68.8	-44.4	176.3	-67.2	170.4	0	0	0	112	I70 W73 V89 I187 Y188 K189 L193 G195	I70-L191 HydrophobicContact CD1-CB 4.05Å; I70-L191 HydrophobicContact CG2-CB 4.15Å; W73-L191 HydrophobicContact CZ3-CD1 4.14Å; V89-L191 HydrophobicContact CB-CD1 4.39Å; V89-L191 HydrophobicContact CG1-CD1 3.53Å; V89-L191 HydrophobicContact CG2-CD1 3.97Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 3.49Å; Y188-L191 PolarHBondContact O-N 2.99Å; Y188-L191 VanDerWaalsContact O-N 3.14Å; K189-L191 VanDerWaalsContact C-N 3.32Å; K189-L191 PolarHBondContact O-N 2.95Å; L191-L193 PolarHBondContact O-N 2.81Å; L191-G195 PolarHBondContact O-N 3.25Å
192	V	86.8	Confident	72.9	Confident	36 Å²	36	86.2 Å²	86.2	22%	0.218	50%	0.5	C	S	.	.	H	α-helix	trans	-62.1	-43.2	176.5	178.3	0	0	0	0	111.5	I70 Y188 K189 S196	I70-V192 HydrophobicContact CG2-CG2 3.63Å; Y188-V192 HydrophobicContact CD1-CG2 4.24Å; Y188-V192 HydrophobicContact CE1-CG2 3.73Å; Y188-V192 HydrophobicContact CE2-CG2 4.1Å; Y188-V192 PolarHBondContact O-N 3.37Å; K189-V192 PolarHBondContact O-N 3.49Å; V192-S196 PolarHBondContact O-OG 2.83Å
193	L	81.3	Confident	71.7	Confident	119 Å²	119	90.5 Å²	90.5	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-76.8	-39	-179.1	-67.1	171.7	0	0	0	112.8	K189 L191 G195 S196	K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 VanDerWaalsContact O-CG 3.29Å; K189-L193 WeakPolarHBondContact O-CG 3.26Å; K189-L193 PolarHBondContact O-N 3.19Å; L191-L193 PolarHBondContact O-N 2.81Å; L193-G195 VanDerWaalsContact C-N 3.27Å; L193-G195 PolarHBondContact O-N 3.18Å; L193-S196 VanDerWaalsContact O-CB 3.32Å; L193-S196 WeakPolarHBondContact O-CB 3.4Å; L193-S196 PolarHBondContact O-N 2.67Å
194	G	67.9	Low	70.3	Confident	43 Å²	43	93.1 Å²	93.1	44%	0.443	54%	0.542	S	S	.	.	H	α-helix	trans	-62.4	-34.3	178	0	0	0	0	0	112.7	T190 S196 R197	T190-G194 WeakPolarHBondContact O-CA 3.25Å; T190-G194 PolarHBondContact O-N 3.23Å; G194-S196 PolarHBondContact O-N 3.28Å; G194-R197 PolarHBondContact O-N 3.47Å
195	G	56.8	Low	68.9	Low	21 Å²	21	94.1 Å²	94.1	22%	0.216	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.7	170.8	0	0	0	0	0	115.3	V67 L191 L193	V67-G195 VanDerWaalsContact CG2-CA 3.49Å; L191-G195 PolarHBondContact O-N 3.25Å; L193-G195 VanDerWaalsContact C-N 3.27Å; L193-G195 PolarHBondContact O-N 3.18Å
196	S	49.4	Very low	67.3	Low	73 Å²	73	98.5 Å²	98.5	51%	0.51	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-0.4	-178.6	-53.8	0	0	0	0	113.5	V192 L193 G194	V192-S196 PolarHBondContact O-OG 2.83Å; L193-S196 VanDerWaalsContact O-CB 3.32Å; L193-S196 WeakPolarHBondContact O-CB 3.4Å; L193-S196 PolarHBondContact O-N 2.67Å; G194-S196 PolarHBondContact O-N 3.28Å
197	R	46.4	Very low	65.6	Low	224 Å²	224	96.8 Å²	96.8	85%	0.845	56%	0.56	S	S	*	*	S	Bend	trans	-98.6	1.9	-175.3	-80.4	-172.4	162.6	-167.5	-6.4	115.6	G194	G194-R197 PolarHBondContact O-N 3.47Å
198	T	44.5	Very low	63.8	Low	119 Å²	119	100.4 Å²	100.4	73%	0.73	58%	0.583	S	S	*	*	S	Bend	trans	-116.2	32.6	-173.2	61	0	0	0	0	114
199	S	44.3	Very low	61.6	Low	108 Å²	108	106.4 Å²	106.4	76%	0.755	62%	0.62	S	S	*	*	S	Bend	trans	-130.5	21	176	-56.7	0	0	0	0	113.2
200	S	43.7	Very low	59.3	Low	110 Å²	110	106.8 Å²	106.8	77%	0.769	63%	0.634	S	S	*	*	S	Bend	trans	-155.1	63.6	-179.6	-58.4	0	0	0	0	112.5
201	E	35.8	Very low	56.7	Low	189 Å²	189	107.9 Å²	107.9	88%	0.883	64%	0.639	S	S	*	*			trans	-158.2	122.3	152.7	-119.8	169.8	125.8	0	0	112.2
202	S	34.2	Very low	53.7	Low	196 Å²	196	112.5 Å²	112.5	100%	1.371	67%	0.67	S	S	*	*			trans	62.6	0	168.6	-51.8	0	0	0	0	118.5

Retrieved 202 of 202 residues in 332 ms (Link to these results)

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