A0A087XCA3_POEFO Loading...

Glycine receptor, alpha 2

AlphaFold DB , UniProt , Accession A0A087XCA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	49.6	Very low	254 Å²	254	147.2 Å²	147.2	100%	1.251	82%	0.817	S	S	*	*				0	104.9	0	-74.2	165.5	157.1	0	0	106.7
2	G	49.7	Very low	50.7	Low	76 Å²	76	148.4 Å²	148.4	78%	0.784	81%	0.808	S	S	*	*			cis	140.1	86.8	24.4	0	0	0	0	0	104.8
3	K	36.5	Very low	51.7	Low	204 Å²	204	149.3 Å²	149.3	89%	0.887	80%	0.799	S	S	*	*			trans	-178.9	157.3	171.5	-117.1	177.6	-173.1	179.1	0	111.1
4	P	49.7	Very low	52.7	Low	111 Å²	111	144.7 Å²	144.7	72%	0.721	78%	0.779	S	S	*	*				-123.1	174.8	-86	38.6	-24.6	0	0	0	111.3
5	P	47.9	Very low	53.5	Low	135 Å²	135	141.7 Å²	141.7	88%	0.877	76%	0.761	S	S	*	*			trans	-143.5	139.1	139.6	32.9	-16	0	0	0	113.8
6	G	51.7	Low	54.2	Low	72 Å²	72	136.4 Å²	136.4	74%	0.742	74%	0.743	S	S	*	*			trans	178.4	15.5	172.2	0	0	0	0	0	116.8
7	M	52.1	Low	54.9	Low	177 Å²	177	131.6 Å²	131.6	87%	0.872	73%	0.726	S	S	*	*	S	Bend	trans	-111	17.8	-176.3	-157.7	170.6	69.4	0	0	113.7
8	K	51.9	Low	55.4	Low	187 Å²	187	129.6 Å²	129.6	81%	0.813	71%	0.713	S	S	*	*	S	Bend	trans	-106.3	-21.2	175.6	-75.6	-170.7	176.3	-176	0	114.2
9	Q	55.5	Low	55.7	Low	161 Å²	161	130.5 Å²	130.5	75%	0.752	71%	0.709	S	S	*	*	H	α-helix	trans	-83.6	-24.8	-179.2	-101.9	173.2	-9.4	0	0	114.2
10	S	55.3	Low	55.9	Low	85 Å²	85	128.2 Å²	128.2	59%	0.594	70%	0.7	S	S	*	*	H	α-helix	trans	-77.6	-31.5	179.8	-160.2	0	0	0	0	112.9	V14	S10-V14 WeakPolarHBondContact O-CG2 3.45Å; S10-V14 PolarHBondContact O-N 3.38Å
11	F	61.3	Low	56	Low	157 Å²	157	130.2 Å²	130.2	69%	0.689	70%	0.699	S	S	*	*	H	α-helix	trans	-73.4	-37.4	-177.8	-146.1	-94.4	0	0	0	112.2	V14 L15	F11-V14 PolarHBondContact O-N 3.09Å; F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CE1-CD1 3.86Å; F11-L15 PolarHBondContact O-N 2.98Å; F11-L15 VanDerWaalsContact O-N 3.11Å
12	F	62	Low	56.7	Low	162 Å²	162	125.5 Å²	125.5	71%	0.711	67%	0.671	S	S	*	*	H	α-helix	trans	-68.7	-33.7	176.3	-99.8	-85.5	0	0	0	113.2	A16	F12-A16 WeakPolarHBondContact O-CB 3.35Å; F12-A16 PolarHBondContact O-N 3.11Å
13	K	63.8	Low	56.8	Low	160 Å²	160	125.7 Å²	125.7	70%	0.696	65%	0.654	S	S	*	*	H	α-helix	trans	-70.2	-35.8	177	-73.7	-175.1	177.2	-174.9	0	112.4	A17	K13-A17 WeakPolarHBondContact O-CB 3.3Å; K13-A17 PolarHBondContact O-N 2.96Å; K13-A17 VanDerWaalsContact O-N 3.09Å
14	V	66.4	Low	57.4	Low	85 Å²	85	123.2 Å²	123.2	52%	0.515	65%	0.646	S	S	.	*	H	α-helix	trans	-71.4	-40.8	176.3	175.3	0	0	0	0	111.2	S10 F11 A17 I18	S10-V14 WeakPolarHBondContact O-CG2 3.45Å; S10-V14 PolarHBondContact O-N 3.38Å; F11-V14 PolarHBondContact O-N 3.09Å; V14-A17 PolarHBondContact O-N 3.3Å; V14-I18 HydrophobicContact CG1-CD1 3.87Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.44Å; V14-I18 PolarHBondContact O-N 3.07Å; V14-I18 VanDerWaalsContact O-N 3.07Å
15	L	63.9	Low	57.4	Low	99 Å²	99	124.8 Å²	124.8	52%	0.518	65%	0.645	S	S	.	*	H	α-helix	trans	-64.9	-39.6	174.2	-93.2	156.3	0	0	0	112.7	F11 I18 F19	F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CE1-CD1 3.86Å; F11-L15 PolarHBondContact O-N 2.98Å; F11-L15 VanDerWaalsContact O-N 3.11Å; L15-I18 PolarHBondContact O-N 3.05Å; L15-F19 WeakPolarHBondContact O-CB 3.5Å; L15-F19 PolarHBondContact O-N 3.06Å
16	A	65.4	Low	57.3	Low	57 Å²	57	121.9 Å²	121.9	47%	0.471	63%	0.628	S	S	.	*	H	α-helix	trans	-64.1	-41.8	175.7	0	0	0	0	0	112	F12 F19 T20	F12-A16 WeakPolarHBondContact O-CB 3.35Å; F12-A16 PolarHBondContact O-N 3.11Å; A16-F19 PolarHBondContact O-N 3.46Å; A16-T20 PolarHBondContact O-N 3.35Å; A16-T20 PolarHBondContact O-OG1 2.99Å
17	A	66.1	Low	56.8	Low	55 Å²	55	124.7 Å²	124.7	46%	0.455	63%	0.626	S	S	.	*	H	α-helix	trans	-65.3	-40.1	178.3	0	0	0	0	0	112.8	K13 V14 F19 T20 Y21	K13-A17 WeakPolarHBondContact O-CB 3.3Å; K13-A17 PolarHBondContact O-N 2.96Å; K13-A17 VanDerWaalsContact O-N 3.09Å; V14-A17 PolarHBondContact O-N 3.3Å; A17-F19 VanDerWaalsContact C-N 3.35Å; A17-T20 WeakPolarHBondContact CA-OG1 3.38Å; A17-T20 PolarHBondContact O-N 2.93Å; A17-T20 PolarHBondContact O-OG1 3.28Å; A17-Y21 WeakPolarHBondContact O-CB 3.34Å; A17-Y21 PolarHBondContact O-N 2.92Å
18	I	64.1	Low	56.3	Low	95 Å²	95	125.7 Å²	125.7	49%	0.487	63%	0.626	S	S	.	*	H	α-helix	trans	-68.3	-36.3	176.1	-65.3	167.2	0	0	0	110.7	V14 L15 Y21 F22	V14-I18 HydrophobicContact CG1-CD1 3.87Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.44Å; V14-I18 PolarHBondContact O-N 3.07Å; V14-I18 VanDerWaalsContact O-N 3.07Å; L15-I18 PolarHBondContact O-N 3.05Å; I18-Y21 PolarHBondContact O-N 3.43Å; I18-F22 HydrophobicContact CG2-CD2 4.38Å; I18-F22 PolarHBondContact O-N 3.48Å
19	F	60.6	Low	55.6	Low	147 Å²	147	127.5 Å²	127.5	65%	0.645	63%	0.627	S	S	*	*	H	α-helix	trans	-70.9	-36.7	177.5	-155.3	-102.5	0	0	0	112.5	L15 A16 A17 F22 L23	L15-F19 WeakPolarHBondContact O-CB 3.5Å; L15-F19 PolarHBondContact O-N 3.06Å; A16-F19 PolarHBondContact O-N 3.46Å; A17-F19 VanDerWaalsContact C-N 3.35Å; F19-F22 PolarHBondContact O-N 3.5Å; F19-L23 HydrophobicContact CD1-CD1 3.57Å; F19-L23 HydrophobicContact CE1-CD1 3.51Å; F19-L23 HydrophobicContact CZ-CD1 4.49Å; F19-L23 WeakPolarHBondContact O-CB 3.44Å; F19-L23 PolarHBondContact O-N 3.02Å
20	T	60.5	Low	54.7	Low	85 Å²	85	123.6 Å²	123.6	52%	0.521	62%	0.623	S	S	.	*	H	α-helix	trans	-67.3	-37.2	171.7	36.5	0	0	0	0	112.7	A16 A17 F22 L23 E24	A16-T20 PolarHBondContact O-N 3.35Å; A16-T20 PolarHBondContact O-OG1 2.99Å; A17-T20 WeakPolarHBondContact CA-OG1 3.38Å; A17-T20 PolarHBondContact O-N 2.93Å; A17-T20 PolarHBondContact O-OG1 3.28Å; T20-F22 PolarHBondContact O-N 3.47Å; T20-L23 PolarHBondContact O-N 3.01Å; T20-E24 PolarHBondContact O-N 2.74Å
21	Y	56.4	Low	53.7	Low	171 Å²	171	125.8 Å²	125.8	67%	0.671	63%	0.633	S	S	*	*	H	α-helix	trans	-68.8	-33.8	177.1	-151.6	-93.6	0	0	0	112.2	A17 I18 M25	A17-Y21 WeakPolarHBondContact O-CB 3.34Å; A17-Y21 PolarHBondContact O-N 2.92Å; I18-Y21 PolarHBondContact O-N 3.43Å; Y21-M25 PolarHBondContact O-N 3.5Å
22	F	50.6	Low	52.5	Low	154 Å²	154	124.3 Å²	124.3	68%	0.675	64%	0.636	S	S	*	*	H	α-helix	trans	-74.2	-28.9	172.7	-104.6	-88.5	0	0	0	113.5	I18 F19 T20 S26	I18-F22 HydrophobicContact CG2-CD2 4.38Å; I18-F22 PolarHBondContact O-N 3.48Å; F19-F22 PolarHBondContact O-N 3.5Å; T20-F22 PolarHBondContact O-N 3.47Å; F22-S26 PolarHBondContact O-N 3.39Å; F22-S26 PolarHBondContact O-OG 3.38Å
23	L	51.7	Low	51.1	Low	81 Å²	81	120 Å²	120	42%	0.424	63%	0.631	S	S	.	*	H	α-helix	trans	-76.3	-30.1	174.2	-94.7	154.6	0	0	0	113.2	F19 T20 S26 N27	F19-L23 HydrophobicContact CD1-CD1 3.57Å; F19-L23 HydrophobicContact CE1-CD1 3.51Å; F19-L23 HydrophobicContact CZ-CD1 4.49Å; F19-L23 WeakPolarHBondContact O-CB 3.44Å; F19-L23 PolarHBondContact O-N 3.02Å; T20-L23 PolarHBondContact O-N 3.01Å; L23-S26 WeakPolarHBondContact CA-OG 3.44Å; L23-S26 PolarHBondContact O-OG 3.34Å; L23-N27 PolarHBondContact O-ND2 3.08Å
24	E	49.1	Very low	49.7	Very low	152 Å²	152	121.5 Å²	121.5	71%	0.71	64%	0.637	S	S	*	*	H	α-helix	trans	-73.6	-34.4	172.3	-80.5	-171.6	155.2	0	0	112.6	T20 S26	T20-E24 PolarHBondContact O-N 2.74Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-S26 PolarHBondContact O-N 3.31Å
25	M	48.3	Very low	48	Very low	144 Å²	144	125.7 Å²	125.7	71%	0.709	65%	0.651	S	S	*	*	H	α-helix	trans	-76.2	-15.6	176.2	-79.6	-69.8	-63.2	0	0	114.5	Y21	Y21-M25 PolarHBondContact O-N 3.5Å
26	S	46.1	Very low	46.5	Very low	74 Å²	74	130.6 Å²	130.6	52%	0.517	66%	0.664	S	S	.	*	H	α-helix	trans	-98.9	-6.6	178.8	46.6	0	0	0	0	114.1	F22 L23 E24	F22-S26 PolarHBondContact O-N 3.39Å; F22-S26 PolarHBondContact O-OG 3.38Å; L23-S26 WeakPolarHBondContact CA-OG 3.44Å; L23-S26 PolarHBondContact O-OG 3.34Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-S26 PolarHBondContact O-N 3.31Å
27	N	42.1	Very low	44.8	Very low	130 Å²	130	135.1 Å²	135.1	70%	0.695	68%	0.675	S	S	*	*			trans	-95.4	7.2	176	-85.3	-30	0	0	0	114.8	L23 R29	L23-N27 PolarHBondContact O-ND2 3.08Å; N27-R29 PolarHBondContact O-N 3.48Å; N27-R29 VanDerWaalsContact O-N 3.08Å
28	F	40.5	Very low	43.1	Very low	199 Å²	199	137.2 Å²	137.2	87%	0.873	68%	0.684	S	S	*	*			trans	-84.3	51.9	164.3	-133.4	-91.7	0	0	0	111.2	A30	F28-A30 PolarHBondContact O-N 2.89Å
29	R	38	Very low	41.8	Very low	224 Å²	224	144 Å²	144	85%	0.845	70%	0.704	S	S	*	*			trans	-81.4	107.9	156.3	-104.2	-174.9	175	-171.5	-0.6	106.1	N27 V31	N27-R29 PolarHBondContact O-N 3.48Å; N27-R29 VanDerWaalsContact O-N 3.08Å; R29-V31 PolarHBondContact O-N 3.45Å
30	A	37	Very low	41.1	Very low	80 Å²	80	141.7 Å²	141.7	66%	0.661	71%	0.706	S	S	*	*			trans	-43	106.6	164.8	0	0	0	0	0	109.2	F28 V32	F28-A30 PolarHBondContact O-N 2.89Å; A30-V32 HydrophobicContact CB-CG2 4.49Å; A30-V32 PolarHBondContact O-N 2.83Å
31	V	34.7	Very low	40.3	Very low	131 Å²	131	141.6 Å²	141.6	79%	0.794	71%	0.708	S	S	*	*			trans	-66.6	91.3	155.3	175.2	0	0	0	0	103.9	R29 A33	R29-V31 PolarHBondContact O-N 3.45Å; V31-A33 HydrophobicContact CG1-CB 4.23Å; V31-A33 PolarHBondContact O-N 2.91Å
32	V	35.3	Very low	40.1	Very low	126 Å²	126	137.7 Å²	137.7	76%	0.764	71%	0.706	S	S	*	*			trans	-66	80.5	154.4	178.3	0	0	0	0	104.4	A30 K34	A30-V32 HydrophobicContact CB-CG2 4.49Å; A30-V32 PolarHBondContact O-N 2.83Å; V32-K34 VanDerWaalsContact C-N 3.28Å; V32-K34 PolarHBondContact O-N 3.01Å
33	A	32.1	Very low	40.5	Very low	72 Å²	72	137.5 Å²	137.5	60%	0.595	71%	0.712	S	S	*	*			trans	-58.2	108.3	153.2	0	0	0	0	0	103.6	V31 E35	V31-A33 HydrophobicContact CG1-CB 4.23Å; V31-A33 PolarHBondContact O-N 2.91Å; A33-E35 PolarHBondContact O-N 2.99Å
34	K	34	Very low	41.4	Very low	191 Å²	191	136.7 Å²	136.7	83%	0.83	71%	0.707	S	S	*	*			trans	-66.9	73.6	163.4	-161.2	-179.6	-171	-179.5	0	105.2	V32 Y36	V32-K34 VanDerWaalsContact C-N 3.28Å; V32-K34 PolarHBondContact O-N 3.01Å; K34-Y36 VanDerWaalsContact C-N 3.29Å; K34-Y36 PolarHBondContact O-N 2.75Å
35	E	31	Very low	43	Very low	173 Å²	173	131.5 Å²	131.5	81%	0.808	69%	0.688	S	S	*	*			trans	-60.2	107.7	161.5	-154	159.7	-151.9	0	0	103.1	A33 E37	A33-E35 PolarHBondContact O-N 2.99Å; E35-E37 PolarHBondContact O-N 2.76Å
36	Y	32.8	Very low	44.7	Very low	201 Å²	201	128.2 Å²	128.2	79%	0.788	68%	0.677	S	S	*	*			trans	-66.3	80.3	171.2	-170.1	-92.7	0	0	0	104.8	K34	K34-Y36 VanDerWaalsContact C-N 3.29Å; K34-Y36 PolarHBondContact O-N 2.75Å
37	E	29.6	Very low	46.5	Very low	153 Å²	153	128.4 Å²	128.4	72%	0.715	68%	0.679	S	S	*	*			trans	-48.5	125.6	151.9	-81.9	-171.5	157.5	0	0	104.6	E35 R39	E35-E37 PolarHBondContact O-N 2.76Å; E37-R39 VanDerWaalsContact C-N 3.26Å; E37-R39 PolarHBondContact O-N 2.75Å
38	P	31.5	Very low	48.5	Very low	98 Å²	98	126.8 Å²	126.8	64%	0.636	67%	0.67	S	S	*	*			trans	-57.5	106.2	165.5	25.3	-29.1	0	0	0	105	S40	P38-S40 PolarHBondContact O-N 2.7Å
39	R	36.7	Very low	50.8	Low	238 Å²	238	117.9 Å²	117.9	90%	0.898	63%	0.631	S	S	*	*			trans	-61.9	81	162	-88.8	-176.5	171	177.2	-3.6	106.3	E37	E37-R39 VanDerWaalsContact C-N 3.26Å; E37-R39 PolarHBondContact O-N 2.75Å
40	S	44.2	Very low	53.1	Low	99 Å²	99	108.9 Å²	108.9	69%	0.692	60%	0.599	S	S	*	*			trans	-120.5	26	162.6	78.8	0	0	0	0	110.5	P38 S42	P38-S40 PolarHBondContact O-N 2.7Å; S40-S42 PolarHBondContact O-N 3.2Å
41	S	45.2	Very low	55.4	Low	82 Å²	82	109.8 Å²	109.8	57%	0.573	59%	0.593	S	S	*	*			trans	-77.7	85.4	144.9	64.8	0	0	0	0	105.8	N43	S41-N43 PolarHBondContact O-N 2.81Å
42	S	52.4	Low	57.8	Low	90 Å²	90	106.5 Å²	106.5	63%	0.629	58%	0.576	S	S	*	*			trans	-53.3	101.8	152.1	53.7	0	0	0	0	104.9	S40 M44	S40-S42 PolarHBondContact O-N 3.2Å; S42-M44 PolarHBondContact O-N 3.26Å
43	N	59.5	Low	60.3	Low	150 Å²	150	101.4 Å²	101.4	80%	0.802	54%	0.544	S	S	*	.			trans	-67.2	76.3	166.5	-78.5	-3.5	0	0	0	105.1	S41 S45	S41-N43 PolarHBondContact O-N 2.81Å; N43-S45 PolarHBondContact O-N 2.75Å
44	M	69.3	Low	62.8	Low	63 Å²	63	98.9 Å²	98.9	31%	0.31	52%	0.52	S	S	.	.			trans	-59.6	129.1	174.4	-174.8	174.1	-73.7	0	0	105.4	S42 D48 F49	S42-M44 PolarHBondContact O-N 3.26Å; M44-D48 HydrophobicContact CG-CB 3.74Å; M44-F49 HydrophobicContact CG-CB 4.04Å; M44-F49 VanDerWaalsContact SD-CA 3.56Å; M44-F49 HydrophobicContact SD-CB 3.82Å; M44-F49 HydrophobicContact SD-CD2 4.04Å; M44-F49 HydrophobicContact SD-CG 4.45Å
45	S	83.8	Confident	65.1	Low	43 Å²	43	90.6 Å²	90.6	30%	0.301	49%	0.489	S	S	.	.			trans	-60.5	148.3	177.3	78.4	0	0	0	0	108.7	N43 S47 D48 F49	N43-S45 PolarHBondContact O-N 2.75Å; S45-S47 PolarHBondContact O-N 3.34Å; S45-D48 WeakPolarHBondContact CB-OD2 3.31Å; S45-D48 PolarHBondContact O-N 3.35Å; S45-D48 VanDerWaalsContact O-N 3.11Å; S45-D48 WeakPolarHBondContact OG-CB 2.78Å; S45-D48 PolarHBondContact OG-N 3.49Å; S45-D48 VanDerWaalsContact OG-N 3.1Å; S45-D48 PolarHBondContact OG-OD2 2.7Å; S45-F49 PolarHBondContact O-N 3.38Å
46	P	83.3	Confident	67.4	Low	75 Å²	75	94.3 Å²	94.3	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-53.6	-37.2	178	-28	35.5	0	0	0	112.4	F49 L50	P46-F49 PolarHBondContact O-N 2.69Å; P46-L50 VanDerWaalsContact O-CG 3.27Å; P46-L50 WeakPolarHBondContact O-CG 3.47Å; P46-L50 PolarHBondContact O-N 3.31Å
47	S	83.3	Confident	69.6	Low	79 Å²	79	91.3 Å²	91.3	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-49.6	175.6	-56.1	0	0	0	0	112.4	S45 F49 L50 D51	S45-S47 PolarHBondContact O-N 3.34Å; S47-F49 PolarHBondContact O-N 3.36Å; S47-L50 PolarHBondContact O-N 2.99Å; S47-L50 VanDerWaalsContact O-N 3.15Å; S47-D51 PolarHBondContact O-N 3.12Å
48	D	85.5	Confident	72	Confident	95 Å²	95	86.2 Å²	86.2	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-33.2	178.4	-62	-39.3	0	0	0	111.7	M44 S45 S52	M44-D48 HydrophobicContact CG-CB 3.74Å; S45-D48 WeakPolarHBondContact CB-OD2 3.31Å; S45-D48 PolarHBondContact O-N 3.35Å; S45-D48 VanDerWaalsContact O-N 3.11Å; S45-D48 WeakPolarHBondContact OG-CB 2.78Å; S45-D48 PolarHBondContact OG-N 3.49Å; S45-D48 VanDerWaalsContact OG-N 3.1Å; S45-D48 PolarHBondContact OG-OD2 2.7Å; D48-S52 VanDerWaalsContact O-CB 3.31Å; D48-S52 WeakPolarHBondContact O-CB 3.28Å; D48-S52 PolarHBondContact O-N 3.13Å
49	F	87.4	Confident	74.6	Confident	12 Å²	12	84.9 Å²	84.9	5%	0.053	48%	0.483	C	S	.	.	H	α-helix	trans	-68.2	-45.4	175.8	176.5	-94.3	0	0	0	111.9	M44 S45 P46 S47 S52 L53 Y111 Y114 L119	M44-F49 HydrophobicContact CG-CB 4.04Å; M44-F49 VanDerWaalsContact SD-CA 3.56Å; M44-F49 HydrophobicContact SD-CB 3.82Å; M44-F49 HydrophobicContact SD-CD2 4.04Å; M44-F49 HydrophobicContact SD-CG 4.45Å; S45-F49 PolarHBondContact O-N 3.38Å; P46-F49 PolarHBondContact O-N 2.69Å; S47-F49 PolarHBondContact O-N 3.36Å; F49-S52 WeakPolarHBondContact O-CB 3.28Å; F49-S52 PolarHBondContact O-N 3.02Å; F49-L53 HydrophobicContact CE1-CD2 4.41Å; F49-L53 PolarHBondContact O-N 2.85Å; F49-Y111 HydrophobicContact CE1-CG 4.42Å; F49-Y111 HydrophobicContact CZ-CD1 4.28Å; F49-Y111 AromaticContact CZ-CD2 3.82Å; F49-Y111 HydrophobicContact CZ-CD2 3.82Å; F49-Y111 AromaticContact CZ-CG 3.63Å; F49-Y111 HydrophobicContact CZ-CG 3.63Å; F49-Y114 HydrophobicContact CB-CD2 4.44Å; F49-Y114 HydrophobicContact CD1-CD2 4.18Å; F49-Y114 HydrophobicContact CD2-CD2 4.28Å; F49-Y114 AromaticContact CG-CD2 4Å; F49-Y114 HydrophobicContact CG-CD2 4Å; F49-L119 HydrophobicContact CD1-CD1 4.1Å; F49-L119 HydrophobicContact CE1-CD1 3.36Å; F49-L119 HydrophobicContact CZ-CD1 4.21Å
50	L	86.3	Confident	77.2	Confident	36 Å²	36	74.7 Å²	74.7	19%	0.188	45%	0.445	C	S	.	.	H	α-helix	trans	-65	-40.1	177.2	-66.8	175.9	0	0	0	111.9	P46 S47 S52 L53 M54 L121	P46-L50 VanDerWaalsContact O-CG 3.27Å; P46-L50 WeakPolarHBondContact O-CG 3.47Å; P46-L50 PolarHBondContact O-N 3.31Å; S47-L50 PolarHBondContact O-N 2.99Å; S47-L50 VanDerWaalsContact O-N 3.15Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.2Å; L50-L53 PolarHBondContact O-N 3.18Å; L50-L53 VanDerWaalsContact O-N 3.11Å; L50-M54 HydrophobicContact CB-CE 4.15Å; L50-M54 HydrophobicContact CD2-CE 3.9Å; L50-M54 PolarHBondContact O-N 2.97Å; L50-L121 HydrophobicContact CD1-CD2 3.99Å; L50-L121 HydrophobicContact CD2-CD2 3.42Å; L50-L121 VanDerWaalsContact CD2-CD2 3.42Å; L50-L121 HydrophobicContact CG-CD2 4.37Å
51	D	85	Confident	79.5	Confident	98 Å²	98	72 Å²	72	52%	0.524	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-34.1	173.9	-74.7	-18.9	0	0	0	111.7	S47 L53 G55	S47-D51 PolarHBondContact O-N 3.12Å; D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.47Å; D51-G55 WeakPolarHBondContact O-CA 3.33Å; D51-G55 PolarHBondContact O-N 3.09Å
52	S	86.1	Confident	81.8	Confident	62 Å²	62	69.4 Å²	69.4	43%	0.434	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-27.3	172.1	-178	0	0	0	0	113	D48 F49 L50 S58	D48-S52 VanDerWaalsContact O-CB 3.31Å; D48-S52 WeakPolarHBondContact O-CB 3.28Å; D48-S52 PolarHBondContact O-N 3.13Å; F49-S52 WeakPolarHBondContact O-CB 3.28Å; F49-S52 PolarHBondContact O-N 3.02Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.2Å; S52-S58 VanDerWaalsContact O-CB 3.23Å; S52-S58 WeakPolarHBondContact O-CB 3.17Å
53	L	86.6	Confident	83.7	Confident	20 Å²	20	74.6 Å²	74.6	11%	0.105	41%	0.412	C	S	.	.	H	α-helix	trans	-89.2	-40.2	-176.7	-166.9	67.9	0	0	0	112.5	F49 L50 D51 S58 L109	F49-L53 HydrophobicContact CE1-CD2 4.41Å; F49-L53 PolarHBondContact O-N 2.85Å; L50-L53 PolarHBondContact O-N 3.18Å; L50-L53 VanDerWaalsContact O-N 3.11Å; D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.47Å; L53-S58 PolarHBondContact O-OG 3.43Å; L53-L109 HydrophobicContact CD2-CD2 4.18Å; L53-L109 HydrophobicContact CG-CD2 4.04Å
54	M	86.5	Confident	85.4	Confident	18 Å²	18	70.6 Å²	70.6	9%	0.089	39%	0.39	C	S	.	.	H	α-helix	trans	-123.1	-5.2	-171.7	-62.6	176.5	-72.3	0	0	113.6	L50 L109 L121 M125 I129	L50-M54 HydrophobicContact CB-CE 4.15Å; L50-M54 HydrophobicContact CD2-CE 3.9Å; L50-M54 PolarHBondContact O-N 2.97Å; M54-L109 HydrophobicContact CG-CD2 4Å; M54-L121 HydrophobicContact CE-CD1 4.22Å; M54-M125 HydrophobicContact CE-CE 3.41Å; M54-M125 VanDerWaalsContact CE-CE 3.41Å; M54-M125 HydrophobicContact SD-CE 4.37Å; M54-I129 HydrophobicContact CG-CG2 4.37Å; M54-I129 HydrophobicContact SD-CG2 3.45Å; M54-I129 WeakPolarHBondContact SD-CG2 3.4Å
55	G	82.3	Confident	86.7	Confident	17 Å²	17	68.1 Å²	68.1	18%	0.175	38%	0.377	C	S	.	.	S	Bend	trans	-73.8	168	-179.4	0	0	0	0	0	112.9	D51 T57 S58	D51-G55 WeakPolarHBondContact O-CA 3.33Å; D51-G55 PolarHBondContact O-N 3.09Å; G55-T57 PolarHBondContact O-N 3.26Å; G55-S58 WeakPolarHBondContact O-CB 3.38Å; G55-S58 PolarHBondContact O-N 3.41Å; G55-S58 PolarHBondContact O-OG 3.17Å
56	R	78.4	Confident	87.3	Confident	252 Å²	252	66 Å²	66	95%	0.951	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.5	-175.5	-66.5	-177.3	179.5	178.9	0.4	114.3
57	T	78.6	Confident	87.8	Confident	137 Å²	137	65.7 Å²	65.7	84%	0.84	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.1	179.9	48.9	0	0	0	0	113.2	G55 G59	G55-T57 PolarHBondContact O-N 3.26Å; T57-G59 VanDerWaalsContact C-N 3.34Å
58	S	80.4	Confident	88.4	Confident	47 Å²	47	67.9 Å²	67.9	33%	0.329	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.2	-179.3	70.6	0	0	0	0	113.6	S52 L53 G55 Y60	S52-S58 VanDerWaalsContact O-CB 3.23Å; S52-S58 WeakPolarHBondContact O-CB 3.17Å; L53-S58 PolarHBondContact O-OG 3.43Å; G55-S58 WeakPolarHBondContact O-CB 3.38Å; G55-S58 PolarHBondContact O-N 3.41Å; G55-S58 PolarHBondContact O-OG 3.17Å; S58-Y60 PolarHBondContact O-N 3.11Å; S58-Y60 WeakPolarHBondContact OG-CB 3.32Å; S58-Y60 PolarHBondContact OG-N 2.6Å; S58-Y60 VanDerWaalsContact OG-N 3.12Å
59	G	85.7	Confident	88.8	Confident	69 Å²	69	72.1 Å²	72.1	71%	0.711	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	6.7	-171.1	0	0	0	0	0	114.1	T57	T57-G59 VanDerWaalsContact C-N 3.34Å
60	Y	92.7	Very high	89.2	Confident	25 Å²	25	73.3 Å²	73.3	10%	0.098	39%	0.386	C	S	.	.			trans	-70.3	127.1	173.1	-169.5	-90.2	0	0	0	111	S58 A62 D106 R108 L109 S128 W130	S58-Y60 PolarHBondContact O-N 3.11Å; S58-Y60 WeakPolarHBondContact OG-CB 3.32Å; S58-Y60 PolarHBondContact OG-N 2.6Å; S58-Y60 VanDerWaalsContact OG-N 3.12Å; Y60-A62 HydrophobicContact CE1-CB 4.08Å; Y60-D106 WeakPolarHBondContact CE2-OD2 3.33Å; Y60-D106 PolarHBondContact OH-OD2 2.99Å; Y60-R108 HydrophobicContact CD2-CB 3.85Å; Y60-R108 HydrophobicContact CE2-CB 4.01Å; Y60-L109 HydrophobicContact CD2-CD2 3.96Å; Y60-L109 HydrophobicContact CD2-CG 4.47Å; Y60-L109 HydrophobicContact CE2-CD1 4.28Å; Y60-L109 HydrophobicContact CE2-CD2 3.62Å; Y60-L109 HydrophobicContact CE2-CG 3.77Å; Y60-S128 VanDerWaalsContact CE1-O 3.23Å; Y60-S128 WeakPolarHBondContact CE1-O 3.32Å; Y60-W130 PolarHBondContact OH-N 3.29Å
61	D	92.6	Very high	89.7	Confident	43 Å²	43	75.7 Å²	75.7	23%	0.23	40%	0.404	C	S	.	.			trans	-122.7	110.3	172.9	-169.1	-19.5	0	0	0	109.7	R63 I64 R108	D61-R63 PolarHBondContact O-N 3.16Å; D61-R63 VanDerWaalsContact OD1-CB 3.31Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 WeakPolarHBondContact OD1-CG 3.44Å; D61-R63 IonicContact OD1-CZ 3.61Å; D61-R63 PolarHBondContact OD1-N 3.03Å; D61-R63 IonicContact OD1-NE 3.03Å; D61-R63 PolarHBondContact OD1-NE 2.82Å; D61-R63 IonicContact OD1-NH2 3.27Å; D61-R63 IonicContact OD2-CZ 3.61Å; D61-R63 IonicContact OD2-NE 2.75Å; D61-R63 PolarHBondContact OD2-NE 2.84Å; D61-R63 IonicContact OD2-NH2 3.58Å; D61-R63 PolarHBondContact OD2-NH2 3.35Å; D61-I64 HydrophobicContact CB-CD1 4.2Å; D61-I64 HydrophobicContact CB-CG1 4.33Å; D61-I64 PolarHBondContact O-N 3.44Å; D61-R108 PolarHBondContact O-NH1 3Å
62	A	92.5	Very high	90.3	Very high	26 Å²	26	73 Å²	73	22%	0.215	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.7	-179.5	0	0	0	0	0	113.7	Y60 I64 W130	Y60-A62 HydrophobicContact CE1-CB 4.08Å; A62-I64 VanDerWaalsContact C-N 3.31Å; A62-W130 WeakPolarHBondContact O-CA 3.44Å; A62-W130 WeakPolarHBondContact O-CB 3.31Å
63	R	92.8	Very high	90.8	Very high	200 Å²	200	70.3 Å²	70.3	76%	0.755	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.4	179.3	-58.6	170.4	-65.6	179.2	3.7	112.5	D61	D61-R63 PolarHBondContact O-N 3.16Å; D61-R63 VanDerWaalsContact OD1-CB 3.31Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 WeakPolarHBondContact OD1-CG 3.44Å; D61-R63 IonicContact OD1-CZ 3.61Å; D61-R63 PolarHBondContact OD1-N 3.03Å; D61-R63 IonicContact OD1-NE 3.03Å; D61-R63 PolarHBondContact OD1-NE 2.82Å; D61-R63 IonicContact OD1-NH2 3.27Å; D61-R63 IonicContact OD2-CZ 3.61Å; D61-R63 IonicContact OD2-NE 2.75Å; D61-R63 PolarHBondContact OD2-NE 2.84Å; D61-R63 IonicContact OD2-NH2 3.58Å; D61-R63 PolarHBondContact OD2-NH2 3.35Å
64	I	94.8	Very high	91.4	Very high	66 Å²	66	73.1 Å²	73.1	34%	0.338	39%	0.388	S	S	.	.	S	Bend	trans	-103.5	126.7	-175.8	-57.8	178	0	0	0	109	D61 A62 F68 R108	D61-I64 HydrophobicContact CB-CD1 4.2Å; D61-I64 HydrophobicContact CB-CG1 4.33Å; D61-I64 PolarHBondContact O-N 3.44Å; A62-I64 VanDerWaalsContact C-N 3.31Å; I64-F68 HydrophobicContact CG2-CB 3.68Å; I64-F68 HydrophobicContact CG2-CD1 4.36Å; I64-F68 HydrophobicContact CG2-CD2 3.85Å; I64-F68 HydrophobicContact CG2-CG 3.71Å; I64-R108 PolarHBondContact O-NH1 3.12Å; I64-R108 PolarHBondContact O-NH2 3.19Å; I64-R108 VanDerWaalsContact O-NH2 3.13Å
65	R	95.8	Very high	91.9	Very high	10 Å²	10	72.3 Å²	72.3	4%	0.038	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60	150.8	177	71.8	169.1	-174.6	89.5	-12.7	112.2	N67 F68 G70 P71 W130 Y197 D201	R65-N67 PolarHBondContact NH1-O 3Å; R65-F68 HydrophobicContact CG-CD2 4.3Å; R65-G70 PolarHBondContact NH2-O 2.84Å; R65-P71 PolarHBondContact NH1-O 3.39Å; R65-W130 HydrophobicContact CB-CD2 4.5Å; R65-W130 HydrophobicContact CB-CZ2 3.88Å; R65-Y197 HydrophobicContact CB-CE1 4.22Å; R65-Y197 HydrophobicContact CG-CE1 4.43Å; R65-D201 IonicContact CZ-OD1 3.29Å; R65-D201 VanDerWaalsContact CZ-OD1 3.23Å; R65-D201 IonicContact NE-OD1 3.95Å; R65-D201 PolarHBondContact NE-OD1 2.96Å; R65-D201 IonicContact NH2-OD1 3.79Å; R65-D201 PolarHBondContact NH2-OD1 3.08Å
66	P	96.4	Very high	92.7	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	149.2	167.6	-22.2	30.7	0	0	0	111.6	F68 V73 D106 W130	P66-F68 PolarHBondContact O-N 3.17Å; P66-V73 HydrophobicContact CB-CG2 4.09Å; P66-V73 HydrophobicContact CG-CG2 4.36Å; P66-V73 WeakPolarHBondContact O-CG2 3.46Å; P66-D106 HydrophobicContact CB-CB 4.33Å; P66-D106 HydrophobicContact CG-CB 3.91Å; P66-W130 VanDerWaalsContact CD-CD2 3.45Å; P66-W130 HydrophobicContact CG-CD2 4.34Å; P66-W130 HydrophobicContact CG-CE3 3.84Å; P66-W130 HydrophobicContact CG-CZ3 4.15Å
67	N	94.7	Very high	93.6	Very high	67 Å²	67	61.4 Å²	61.4	36%	0.358	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	39.5	178.8	-55.1	-39.9	0	0	0	113.4	R65 K69 G70	R65-N67 PolarHBondContact NH1-O 3Å; N67-K69 PolarHBondContact O-N 3.04Å; N67-G70 VanDerWaalsContact O-CA 3.28Å; N67-G70 WeakPolarHBondContact O-CA 3.48Å; N67-G70 PolarHBondContact O-N 3.5Å
68	F	95.1	Very high	94.5	Very high	125 Å²	125	55.4 Å²	55.4	55%	0.548	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	134.2	178.9	-172.9	-109.9	0	0	0	111.4	I64 R65 P66 G70	I64-F68 HydrophobicContact CG2-CB 3.68Å; I64-F68 HydrophobicContact CG2-CD1 4.36Å; I64-F68 HydrophobicContact CG2-CD2 3.85Å; I64-F68 HydrophobicContact CG2-CG 3.71Å; R65-F68 HydrophobicContact CG-CD2 4.3Å; P66-F68 PolarHBondContact O-N 3.17Å; F68-G70 PolarHBondContact O-N 2.82Å
69	K	94.1	Very high	95.3	Very high	185 Å²	185	53.2 Å²	53.2	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	6.3	-170.4	-59.4	-72	-176.7	178.3	0	115.6	N67	N67-K69 PolarHBondContact O-N 3.04Å
70	G	95.1	Very high	95.8	Very high	36 Å²	36	51.9 Å²	51.9	37%	0.371	26%	0.264	S	S	.	.	S	Bend	trans	-109.4	-155.3	174.6	0	0	0	0	0	112.4	R65 N67 F68	R65-G70 PolarHBondContact NH2-O 2.84Å; N67-G70 VanDerWaalsContact O-CA 3.28Å; N67-G70 WeakPolarHBondContact O-CA 3.48Å; N67-G70 PolarHBondContact O-N 3.5Å; F68-G70 PolarHBondContact O-N 2.82Å
71	P	97.1	Very high	96	Very high	87 Å²	87	50.7 Å²	50.7	57%	0.565	26%	0.259	S	S	*	.	S	Bend	trans	-61.4	161.8	-178.5	27.4	-35.3	0	0	0	112.5	R65	R65-P71 PolarHBondContact NH1-O 3.39Å
72	P	97.4	Very high	96.2	Very high	41 Å²	41	51.3 Å²	51.3	27%	0.266	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-61.1	150.6	172.5	25.6	-33.4	0	0	0	110.9	N74 D201 I203	P72-N74 PolarHBondContact O-N 3.11Å; P72-D201 CarbonylContact C-O 3.5Å; P72-D201 WeakPolarHBondContact CA-O 3.34Å; P72-I203 HydrophobicContact CB-CD1 3.93Å; P72-I203 HydrophobicContact CB-CG1 3.97Å; P72-I203 HydrophobicContact CG-CD1 3.6Å; P72-I203 HydrophobicContact CG-CG1 4.22Å
73	V	98.1	Very high	96.3	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117	172	-176.4	0	0	0	0	108.1	P66 V75 W104 W130 D201 I203	P66-V73 HydrophobicContact CB-CG2 4.09Å; P66-V73 HydrophobicContact CG-CG2 4.36Å; P66-V73 WeakPolarHBondContact O-CG2 3.46Å; V73-V75 HydrophobicContact CG1-CG2 4.1Å; V73-W104 HydrophobicContact CG1-CB 4.07Å; V73-W130 HydrophobicContact CB-CH2 4.46Å; V73-W130 HydrophobicContact CG1-CH2 4.21Å; V73-W130 HydrophobicContact CG1-CZ3 4.23Å; V73-D201 PolarHBondContact N-O 3.04Å; V73-I203 PolarHBondContact O-N 3.12Å
74	N	97.9	Very high	96.4	Very high	80 Å²	80	43.4 Å²	43.4	43%	0.428	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.3	172.9	-66.6	-2.6	0	0	0	108.9	P72	P72-N74 PolarHBondContact O-N 3.11Å
75	V	98.3	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.1	178.4	-178.4	0	0	0	0	108	V73 Q102 K103 W104 P132 L202 I203 F204 E205	V73-V75 HydrophobicContact CG1-CG2 4.1Å; V75-Q102 HydrophobicContact CG1-CB 4.1Å; V75-Q102 HydrophobicContact CG1-CG 4.48Å; V75-K103 CarbonylContact C-O 3.4Å; V75-K103 WeakPolarHBondContact CA-O 3.44Å; V75-W104 HydrophobicContact CG2-CB 4.05Å; V75-P132 HydrophobicContact CG1-CG 4.16Å; V75-P132 HydrophobicContact CG2-CB 4.12Å; V75-P132 HydrophobicContact CG2-CG 4.38Å; V75-L202 HydrophobicContact CG2-CD2 4.39Å; V75-L202 HydrophobicContact CG2-CG 4.3Å; V75-I203 PolarHBondContact N-O 3.43Å; V75-F204 HydrophobicContact CB-CD1 3.73Å; V75-F204 HydrophobicContact CB-CE1 3.86Å; V75-F204 HydrophobicContact CG1-CD1 4Å; V75-F204 HydrophobicContact CG1-CE1 3.9Å; V75-F204 HydrophobicContact CG2-CE1 4.29Å; V75-F204 WeakPolarHBondContact O-CA 3.37Å; V75-E205 PolarHBondContact O-N 2.99Å
76	T	98	Very high	95.9	Very high	41 Å²	41	44.9 Å²	44.9	25%	0.252	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.8	176.8	-48	0	0	0	0	110.1	Q102 K103 E205 L207	T76-Q102 CarbonylContact O-C 3.51Å; T76-Q102 WeakPolarHBondContact O-CA 3.35Å; T76-K103 PolarHBondContact N-O 3.18Å; T76-K103 PolarHBondContact O-N 2.85Å; T76-E205 CarbonylContact C-O 3.59Å; T76-E205 WeakPolarHBondContact CA-O 3.24Å; T76-L207 HydrophobicContact CG2-CB 3.91Å; T76-L207 HydrophobicContact CG2-CD1 3.86Å
77	C	97.9	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.1	-176.5	-68.1	0	0	0	0	111.7	R101 E205 W206 L207 I246	C77-R101 WeakPolarHBondContact CA-O 3.42Å; C77-E205 PolarHBondContact N-O 2.9Å; C77-W206 HydrophobicContact CB-CE3 4.39Å; C77-W206 HydrophobicContact CB-CZ3 4.43Å; C77-L207 PolarHBondContact O-N 3.36Å; C77-I246 HydrophobicContact CB-CD1 3.64Å
78	N	96.5	Very high	95.8	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.4	171.7	164.2	-100.9	0	0	0	109.2	R101 L207 G210 A211 Q213	N78-R101 HydrophobicContact CB-CB 4.16Å; N78-R101 PolarHBondContact N-O 2.65Å; N78-R101 PolarHBondContact O-N 2.95Å; N78-R101 WeakPolarHBondContact OD1-CD 3.36Å; N78-R101 PolarHBondContact OD1-NH1 2.92Å; N78-L207 HydrophobicContact CB-CB 4.31Å; N78-L207 HydrophobicContact CB-CD2 4.19Å; N78-G210 PolarHBondContact ND2-O 3.19Å; N78-A211 CarbonylContact C-O 3.6Å; N78-A211 WeakPolarHBondContact CA-O 3.23Å; N78-A211 PolarHBondContact ND2-O 3.22Å; N78-A211 VanDerWaalsContact ND2-O 3.16Å; N78-Q213 PolarHBondContact ND2-NE2 3.06Å
79	I	97.5	Very high	95.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.4	-179.6	-62	174.7	0	0	0	109	I81 I98 F99 L100 M190 L192 W206 A211 V212 Q213	I79-I81 HydrophobicContact CG2-CG1 4.27Å; I79-I98 HydrophobicContact CG2-CB 3.94Å; I79-I98 HydrophobicContact CG2-CD1 4.26Å; I79-I98 HydrophobicContact CG2-CG2 3.84Å; I79-F99 WeakPolarHBondContact CA-O 3.47Å; I79-L100 HydrophobicContact CG1-CD1 4.05Å; I79-M190 HydrophobicContact CD1-SD 3.72Å; I79-L192 HydrophobicContact CD1-CD1 4.12Å; I79-L192 HydrophobicContact CD1-CD2 4.07Å; I79-W206 HydrophobicContact CD1-CH2 3.58Å; I79-W206 HydrophobicContact CD1-CZ3 3.72Å; I79-W206 HydrophobicContact CG1-CH2 4.38Å; I79-W206 HydrophobicContact CG1-CZ3 4.01Å; I79-A211 PolarHBondContact N-O 2.97Å; I79-V212 WeakPolarHBondContact O-CA 3.24Å; I79-Q213 PolarHBondContact O-N 3.18Å
80	F	97.3	Very high	95.7	Very high	41 Å²	41	33.8 Å²	33.8	18%	0.18	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.9	167.6	-179.2	-87.7	0	0	0	109.6	N82 I98 F99 Q213	F80-N82 HydrophobicContact CD1-CB 4.48Å; F80-N82 HydrophobicContact CE1-CB 4.35Å; F80-N82 PolarHBondContact O-N 3.01Å; F80-I98 CarbonylContact O-C 3.54Å; F80-I98 WeakPolarHBondContact O-CA 3.4Å; F80-F99 HydrophobicContact CB-CB 4.16Å; F80-F99 HydrophobicContact CB-CD2 4.15Å; F80-F99 AromaticContact CD1-CD2 3.49Å; F80-F99 HydrophobicContact CD1-CD2 3.49Å; F80-F99 VanDerWaalsContact CD1-CD2 3.49Å; F80-F99 AromaticContact CD1-CE2 3.87Å; F80-F99 HydrophobicContact CD1-CE2 3.87Å; F80-F99 HydrophobicContact CD1-CG 4.41Å; F80-F99 HydrophobicContact CE1-CD2 4.26Å; F80-F99 HydrophobicContact CE1-CE2 4.18Å; F80-F99 HydrophobicContact CG-CD2 4.1Å; F80-F99 PolarHBondContact N-O 3.48Å; F80-F99 PolarHBondContact O-N 3.15Å; F80-Q213 CarbonylContact C-O 3.6Å; F80-Q213 WeakPolarHBondContact CA-O 3.43Å; F80-Q213 HydrophobicContact CB-CB 4.46Å; F80-Q213 HydrophobicContact CD2-CB 3.55Å; F80-Q213 HydrophobicContact CE2-CB 4.24Å; F80-Q213 HydrophobicContact CG-CB 4.41Å
81	I	97.2	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.7	179.4	-57.3	178.8	0	0	0	108.6	I79 F84 V96 I98 V212 Q213 V214 S215 L218 F250	I79-I81 HydrophobicContact CG2-CG1 4.27Å; I81-F84 HydrophobicContact CG2-CB 4.19Å; I81-F84 HydrophobicContact CG2-CD2 4.42Å; I81-V96 HydrophobicContact CG2-CG2 3.97Å; I81-I98 HydrophobicContact CG1-CG2 4.31Å; I81-V212 HydrophobicContact CD1-CG1 4.07Å; I81-Q213 PolarHBondContact N-O 3.1Å; I81-V214 HydrophobicContact CD1-CG2 4.3Å; I81-S215 PolarHBondContact O-N 3.01Å; I81-L218 HydrophobicContact CG2-CD2 4.03Å; I81-F250 HydrophobicContact CD1-CD1 4.42Å; I81-F250 HydrophobicContact CD1-CE1 3.47Å; I81-F250 VanDerWaalsContact CD1-CE1 3.47Å; I81-F250 HydrophobicContact CD1-CZ 3.69Å
82	N	95.2	Very high	95.6	Very high	56 Å²	56	34 Å²	34	30%	0.299	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-41.3	176.7	-175.2	67.9	0	0	0	111.6	F80 N97	F80-N82 HydrophobicContact CD1-CB 4.48Å; F80-N82 HydrophobicContact CE1-CB 4.35Å; F80-N82 PolarHBondContact O-N 3.01Å; N82-N97 PolarHBondContact N-O 3.21Å
83	S	94.9	Very high	95.5	Very high	51 Å²	51	33 Å²	33	36%	0.357	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150	171	71.1	0	0	0	0	111.5	V96 N97	S83-V96 WeakPolarHBondContact O-CA 3.23Å; S83-V96 WeakPolarHBondContact O-CG2 3.36Å; S83-N97 PolarHBondContact N-O 3.21Å; S83-N97 PolarHBondContact O-N 2.86Å; S83-N97 WeakPolarHBondContact OG-CB 3.46Å
84	F	95.4	Very high	95.5	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.044	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.2	175.9	-163.4	-74.8	0	0	0	106.2	I81 I87 Y94 V96 L218 L220 M225 F250 L252	I81-F84 HydrophobicContact CG2-CB 4.19Å; I81-F84 HydrophobicContact CG2-CD2 4.42Å; F84-I87 HydrophobicContact CD1-CD1 4.48Å; F84-I87 HydrophobicContact CE1-CD1 4Å; F84-I87 HydrophobicContact CE1-CG1 4.13Å; F84-Y94 HydrophobicContact CE1-CD2 4.01Å; F84-Y94 AromaticContact CE2-CD2 3.79Å; F84-Y94 HydrophobicContact CE2-CD2 3.79Å; F84-Y94 AromaticContact CE2-CE2 3.7Å; F84-Y94 HydrophobicContact CE2-CE2 3.7Å; F84-Y94 AromaticContact CZ-CD2 3.45Å; F84-Y94 HydrophobicContact CZ-CD2 3.45Å; F84-Y94 VanDerWaalsContact CZ-CD2 3.45Å; F84-Y94 AromaticContact CZ-CE2 3.71Å; F84-Y94 HydrophobicContact CZ-CE2 3.71Å; F84-Y94 HydrophobicContact CZ-CG 4.19Å; F84-V96 HydrophobicContact CD2-CB 4.34Å; F84-V96 HydrophobicContact CD2-CG2 3.84Å; F84-V96 HydrophobicContact CE2-CG2 4.47Å; F84-L218 HydrophobicContact CB-CD1 4.41Å; F84-L218 HydrophobicContact CB-CD2 3.9Å; F84-L220 HydrophobicContact CB-CD2 4.17Å; F84-L220 HydrophobicContact CD1-CD1 3.91Å; F84-L220 HydrophobicContact CD1-CD2 3.76Å; F84-L220 HydrophobicContact CD1-CG 4.46Å; F84-L220 HydrophobicContact CE1-CD1 4.37Å; F84-L220 HydrophobicContact CG-CD2 4.43Å; F84-L220 WeakPolarHBondContact O-CD2 3.33Å; F84-M225 HydrophobicContact CB-CE 4.06Å; F84-M225 HydrophobicContact CD1-CE 4.04Å; F84-M225 HydrophobicContact CD2-CE 3.45Å; F84-M225 VanDerWaalsContact CD2-CE 3.45Å; F84-M225 HydrophobicContact CE1-CE 4.33Å; F84-M225 HydrophobicContact CE2-CE 3.78Å; F84-M225 HydrophobicContact CG-CE 3.58Å; F84-M225 HydrophobicContact CZ-CE 4.21Å; F84-F250 HydrophobicContact CE2-CD2 4.04Å; F84-F250 HydrophobicContact CE2-CE2 4.39Å; F84-F250 HydrophobicContact CE2-CG 4.15Å; F84-L252 HydrophobicContact CE1-CD1 3.84Å; F84-L252 HydrophobicContact CE1-CD2 3.99Å; F84-L252 HydrophobicContact CZ-CD1 3.97Å; F84-L252 HydrophobicContact CZ-CD2 4.19Å
85	G	90.9	Very high	95.5	Very high	18 Å²	18	34.2 Å²	34.2	19%	0.186	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-168.1	-178.2	0	0	0	0	0	114.2	I87 R95	G85-I87 PolarHBondContact O-N 2.92Å; G85-R95 PolarHBondContact N-O 3.02Å; G85-R95 CarbonylContact O-C 3.59Å; G85-R95 WeakPolarHBondContact O-CA 3.36Å; G85-R95 WeakPolarHBondContact O-CB 3.28Å; G85-R95 PolarHBondContact O-N 2.82Å
86	S	89.7	Confident	95.4	Very high	88 Å²	88	34.2 Å²	34.2	62%	0.615	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49.1	43	-176.7	-54.2	0	0	0	0	112.4	A88	S86-A88 PolarHBondContact O-N 2.82Å
87	I	95.1	Very high	95.4	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.082	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	115.5	172.2	-57.9	158	0	0	0	106.3	F84 G85 M176 F223 L252	F84-I87 HydrophobicContact CD1-CD1 4.48Å; F84-I87 HydrophobicContact CE1-CD1 4Å; F84-I87 HydrophobicContact CE1-CG1 4.13Å; G85-I87 PolarHBondContact O-N 2.92Å; I87-M176 HydrophobicContact CG2-CE 4.34Å; I87-M176 HydrophobicContact CG2-SD 4.35Å; I87-F223 HydrophobicContact CB-CD2 4.49Å; I87-F223 HydrophobicContact CB-CE2 4.1Å; I87-F223 HydrophobicContact CD1-CB 4.32Å; I87-F223 HydrophobicContact CD1-CD2 3.38Å; I87-F223 HydrophobicContact CD1-CE2 3.78Å; I87-F223 HydrophobicContact CD1-CG 3.94Å; I87-F223 HydrophobicContact CG2-CE2 3.9Å; I87-F223 HydrophobicContact CG2-CZ 4.2Å; I87-L252 HydrophobicContact CD1-CD1 3.89Å
88	A	94.1	Very high	95.4	Very high	28 Å²	28	32.8 Å²	32.8	23%	0.231	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.2	-177.3	0	0	0	0	0	109.4	S86 T90 T91 M92 D93	S86-A88 PolarHBondContact O-N 2.82Å; A88-T90 VanDerWaalsContact C-N 3.3Å; A88-T90 PolarHBondContact O-N 2.94Å; A88-T91 WeakPolarHBondContact CB-OG1 3.27Å; A88-M92 WeakPolarHBondContact O-CA 3.28Å; A88-M92 PolarHBondContact O-N 3.24Å; A88-D93 PolarHBondContact N-O 3.48Å; A88-D93 PolarHBondContact O-N 2.81Å
89	E	93.1	Very high	95.4	Very high	19 Å²	19	35 Å²	35	9%	0.089	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.3	-179.8	-59.7	89.2	162.7	0	0	111.9	M92 M176 R254 L310 P311	E89-M92 PolarHBondContact O-N 3.1Å; E89-M176 HydrophobicContact CB-CE 4.5Å; E89-M176 HydrophobicContact CG-CE 4.44Å; E89-M176 HydrophobicContact CG-SD 4.22Å; E89-R254 IonicContact OE1-CZ 2.93Å; E89-R254 IonicContact OE1-NH1 3.07Å; E89-R254 PolarHBondContact OE1-NH1 2.97Å; E89-R254 IonicContact OE1-NH2 3.67Å; E89-L310 HydrophobicContact CB-CD2 4.42Å; E89-P311 WeakPolarHBondContact O-CB 3.43Å; E89-P311 VanDerWaalsContact O-CD 3.29Å; E89-P311 WeakPolarHBondContact O-CD 3.07Å; E89-P311 WeakPolarHBondContact O-CG 3.31Å
90	T	92.7	Very high	95.5	Very high	82 Å²	82	35.1 Å²	35.1	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-39.8	-178.5	51.8	0	0	0	0	112.5	A88	A88-T90 VanDerWaalsContact C-N 3.3Å; A88-T90 PolarHBondContact O-N 2.94Å
91	T	94.7	Very high	95.5	Very high	72 Å²	72	36.8 Å²	36.8	44%	0.442	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-12	178.5	45.7	0	0	0	0	112.9	A88 D93 K140	A88-T91 WeakPolarHBondContact CB-OG1 3.27Å; T91-D93 WeakPolarHBondContact CB-OD2 3.44Å; T91-D93 VanDerWaalsContact OG1-CG 3.28Å; T91-D93 PolarHBondContact OG1-OD1 3.01Å; T91-D93 PolarHBondContact OG1-OD2 3.25Å; T91-K140 PolarHBondContact O-NZ 3.3Å
92	M	95.2	Very high	95.5	Very high	54 Å²	54	37 Å²	37	27%	0.266	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	49.2	-175.5	-64.6	-178.1	170.2	0	0	112.5	A88 E89 C174 M176 P311 V313	A88-M92 WeakPolarHBondContact O-CA 3.28Å; A88-M92 PolarHBondContact O-N 3.24Å; E89-M92 PolarHBondContact O-N 3.1Å; M92-C174 CarbonylContact C-O 3.28Å; M92-C174 PolarHBondContact O-N 3.13Å; M92-M176 HydrophobicContact CB-CE 4.41Å; M92-M176 HydrophobicContact CG-CE 4.5Å; M92-P311 HydrophobicContact CE-CB 4.35Å; M92-P311 HydrophobicContact CE-CG 4.1Å; M92-V313 HydrophobicContact CE-CG1 4.49Å
93	D	96.9	Very high	95.6	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166.2	175.1	47.1	40	0	0	0	112.6	A88 T91 K140 I171 L172	A88-D93 PolarHBondContact N-O 3.48Å; A88-D93 PolarHBondContact O-N 2.81Å; T91-D93 WeakPolarHBondContact CB-OD2 3.44Å; T91-D93 VanDerWaalsContact OG1-CG 3.28Å; T91-D93 PolarHBondContact OG1-OD1 3.01Å; T91-D93 PolarHBondContact OG1-OD2 3.25Å; D93-K140 HydrophobicContact CB-CD 4.14Å; D93-K140 WeakPolarHBondContact OD2-CD 3.32Å; D93-K140 IonicContact OD2-NZ 3.46Å; D93-K140 PolarHBondContact OD2-NZ 2.91Å; D93-I171 HydrophobicContact CB-CG2 4Å; D93-L172 WeakPolarHBondContact CA-O 3.33Å; D93-L172 WeakPolarHBondContact CB-O 3.4Å
94	Y	97.1	Very high	95.8	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.2	174.4	67.2	-79.2	0	0	0	110	F84 V96 I171 L172 C174 C188 T189	F84-Y94 HydrophobicContact CE1-CD2 4.01Å; F84-Y94 AromaticContact CE2-CD2 3.79Å; F84-Y94 HydrophobicContact CE2-CD2 3.79Å; F84-Y94 AromaticContact CE2-CE2 3.7Å; F84-Y94 HydrophobicContact CE2-CE2 3.7Å; F84-Y94 AromaticContact CZ-CD2 3.45Å; F84-Y94 HydrophobicContact CZ-CD2 3.45Å; F84-Y94 VanDerWaalsContact CZ-CD2 3.45Å; F84-Y94 AromaticContact CZ-CE2 3.71Å; F84-Y94 HydrophobicContact CZ-CE2 3.71Å; F84-Y94 HydrophobicContact CZ-CG 4.19Å; Y94-V96 HydrophobicContact CD2-CB 4.43Å; Y94-V96 HydrophobicContact CE2-CB 4.33Å; Y94-V96 HydrophobicContact CE2-CG1 4.26Å; Y94-I171 WeakPolarHBondContact O-CA 3.45Å; Y94-L172 HydrophobicContact CD1-CB 4.16Å; Y94-L172 WeakPolarHBondContact CD1-O 3.38Å; Y94-L172 HydrophobicContact CE1-CB 3.55Å; Y94-L172 HydrophobicContact CE2-CB 4.16Å; Y94-L172 HydrophobicContact CE2-CD1 3.98Å; Y94-L172 PolarHBondContact N-O 3.4Å; Y94-L172 PolarHBondContact O-N 3.31Å; Y94-L172 VanDerWaalsContact OH-CD1 3.25Å; Y94-L172 WeakPolarHBondContact OH-CD1 3.29Å; Y94-C174 HydrophobicContact CD1-CB 3.59Å; Y94-C174 HydrophobicContact CE1-CB 3.8Å; Y94-C188 HydrophobicContact CD1-CB 4.06Å; Y94-C188 HydrophobicContact CE1-CB 3.71Å; Y94-T189 PolarHBondContact OH-O 2.93Å
95	R	97.3	Very high	95.9	Very high	108 Å²	108	38.9 Å²	38.9	41%	0.408	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.1	177.7	-167.9	176.5	-124.9	155.2	-0.2	110.3	G85 T169 L170 I171	G85-R95 PolarHBondContact N-O 3.02Å; G85-R95 CarbonylContact O-C 3.59Å; G85-R95 WeakPolarHBondContact O-CA 3.36Å; G85-R95 WeakPolarHBondContact O-CB 3.28Å; G85-R95 PolarHBondContact O-N 2.82Å; R95-T169 HydrophobicContact CG-CG2 3.9Å; R95-L170 VanDerWaalsContact CA-O 3.32Å; R95-L170 WeakPolarHBondContact CA-O 3.27Å; R95-I171 HydrophobicContact CG-CG1 4.36Å
96	V	97.2	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140	178.7	66.4	0	0	0	0	110.2	I81 S83 F84 Y94 I98 T169 L170 L172 M190	I81-V96 HydrophobicContact CG2-CG2 3.97Å; S83-V96 WeakPolarHBondContact O-CA 3.23Å; S83-V96 WeakPolarHBondContact O-CG2 3.36Å; F84-V96 HydrophobicContact CD2-CB 4.34Å; F84-V96 HydrophobicContact CD2-CG2 3.84Å; F84-V96 HydrophobicContact CE2-CG2 4.47Å; Y94-V96 HydrophobicContact CD2-CB 4.43Å; Y94-V96 HydrophobicContact CE2-CB 4.33Å; Y94-V96 HydrophobicContact CE2-CG1 4.26Å; V96-I98 HydrophobicContact CG1-CG2 4.28Å; V96-I98 HydrophobicContact CG2-CG2 3.62Å; V96-T169 CarbonylContact O-C 3.34Å; V96-T169 WeakPolarHBondContact O-CA 3.4Å; V96-L170 HydrophobicContact CG1-CB 3.92Å; V96-L170 HydrophobicContact CG1-CD1 4.37Å; V96-L170 PolarHBondContact N-O 3.48Å; V96-L170 PolarHBondContact O-N 2.77Å; V96-L172 HydrophobicContact CG1-CD1 3.96Å; V96-M190 HydrophobicContact CG1-CE 3.67Å; V96-M190 HydrophobicContact CG2-CE 4.44Å
97	N	97.2	Very high	96.5	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.7	171.3	-167.1	-56.2	0	0	0	108.1	N82 S83 H145 R167 L168 T169	N82-N97 PolarHBondContact N-O 3.21Å; S83-N97 PolarHBondContact N-O 3.21Å; S83-N97 PolarHBondContact O-N 2.86Å; S83-N97 WeakPolarHBondContact OG-CB 3.46Å; N97-H145 PolarHBondContact ND2-CE1 3.16Å; N97-H145 PolarHBondContact ND2-NE2 2.85Å; N97-R167 PolarHBondContact OD1-NE 3.2Å; N97-L168 CarbonylContact C-O 3.45Å; N97-L168 WeakPolarHBondContact CA-O 3.29Å; N97-T169 PolarHBondContact ND2-OG1 3.5Å
98	I	97.6	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.8	-175.1	65	172	0	0	0	111.9	I79 F80 I81 V96 L100 F136 R167 L168 L170 M190	I79-I98 HydrophobicContact CG2-CB 3.94Å; I79-I98 HydrophobicContact CG2-CD1 4.26Å; I79-I98 HydrophobicContact CG2-CG2 3.84Å; F80-I98 CarbonylContact O-C 3.54Å; F80-I98 WeakPolarHBondContact O-CA 3.4Å; I81-I98 HydrophobicContact CG1-CG2 4.31Å; V96-I98 HydrophobicContact CG1-CG2 4.28Å; V96-I98 HydrophobicContact CG2-CG2 3.62Å; I98-L100 HydrophobicContact CD1-CB 4.29Å; I98-F136 HydrophobicContact CD1-CE1 4.2Å; I98-F136 HydrophobicContact CD1-CZ 3.82Å; I98-R167 WeakPolarHBondContact O-CA 3.43Å; I98-L168 HydrophobicContact CG1-CB 4.12Å; I98-L168 PolarHBondContact N-O 3.01Å; I98-L168 PolarHBondContact O-N 2.56Å; I98-L170 HydrophobicContact CD1-CD1 3.65Å; I98-L170 HydrophobicContact CG1-CD1 4.21Å; I98-M190 HydrophobicContact CD1-CE 4.49Å; I98-M190 HydrophobicContact CD1-SD 4.36Å; I98-M190 HydrophobicContact CG2-CE 4.18Å
99	F	97.8	Very high	96.4	Very high	58 Å²	58	38.8 Å²	38.8	25%	0.254	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.8	152.1	-51.7	-43.3	0	0	0	108.4	I79 F80 I166 R167	I79-F99 WeakPolarHBondContact CA-O 3.47Å; F80-F99 HydrophobicContact CB-CB 4.16Å; F80-F99 HydrophobicContact CB-CD2 4.15Å; F80-F99 AromaticContact CD1-CD2 3.49Å; F80-F99 HydrophobicContact CD1-CD2 3.49Å; F80-F99 VanDerWaalsContact CD1-CD2 3.49Å; F80-F99 AromaticContact CD1-CE2 3.87Å; F80-F99 HydrophobicContact CD1-CE2 3.87Å; F80-F99 HydrophobicContact CD1-CG 4.41Å; F80-F99 HydrophobicContact CE1-CD2 4.26Å; F80-F99 HydrophobicContact CE1-CE2 4.18Å; F80-F99 HydrophobicContact CG-CD2 4.1Å; F80-F99 PolarHBondContact N-O 3.48Å; F80-F99 PolarHBondContact O-N 3.15Å; F99-I166 CarbonylContact C-O 3.57Å; F99-I166 WeakPolarHBondContact CA-O 3.34Å; F99-R167 HydrophobicContact CD1-CB 3.75Å; F99-R167 HydrophobicContact CD1-CG 3.77Å; F99-R167 HydrophobicContact CE1-CB 3.83Å; F99-R167 HydrophobicContact CE1-CG 3.55Å
100	L	98	Very high	96.5	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.2	172.2	174.3	65.2	0	0	0	108.3	I79 I98 Q102 L134 F136 S165 I166 L168 L192	I79-L100 HydrophobicContact CG1-CD1 4.05Å; I98-L100 HydrophobicContact CD1-CB 4.29Å; L100-Q102 HydrophobicContact CD1-CG 4.48Å; L100-Q102 HydrophobicContact CG-CG 4.24Å; L100-L134 HydrophobicContact CD2-CD1 4.26Å; L100-L134 HydrophobicContact CD2-CD2 3.83Å; L100-F136 HydrophobicContact CD2-CZ 4.25Å; L100-S165 CarbonylContact O-C 3.59Å; L100-S165 VanDerWaalsContact O-CA 3.31Å; L100-S165 WeakPolarHBondContact O-CA 3.36Å; L100-I166 HydrophobicContact CB-CG1 4.05Å; L100-I166 HydrophobicContact CD2-CD1 4.32Å; L100-I166 HydrophobicContact CD2-CG1 4.46Å; L100-I166 PolarHBondContact N-O 2.97Å; L100-I166 PolarHBondContact O-N 2.87Å; L100-L168 HydrophobicContact CB-CD1 4.43Å; L100-L168 HydrophobicContact CD2-CD1 4.31Å; L100-L192 HydrophobicContact CD1-CD2 3.73Å
101	R	97.9	Very high	96.4	Very high	77 Å²	77	36.9 Å²	36.9	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	175.8	-54.5	-172.6	-174.8	128.6	-8.6	109.4	C77 N78 L163 Y164	C77-R101 WeakPolarHBondContact CA-O 3.42Å; N78-R101 HydrophobicContact CB-CB 4.16Å; N78-R101 PolarHBondContact N-O 2.65Å; N78-R101 PolarHBondContact O-N 2.95Å; N78-R101 WeakPolarHBondContact OD1-CD 3.36Å; N78-R101 PolarHBondContact OD1-NH1 2.92Å; R101-L163 HydrophobicContact CB-CD1 4.44Å; R101-Y164 CarbonylContact C-O 3.59Å; R101-Y164 WeakPolarHBondContact CA-O 3.38Å
102	Q	98	Very high	96.2	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.6	178.1	-64.2	177.5	79.6	0	0	108	V75 T76 L100 W104 L134 Y164	V75-Q102 HydrophobicContact CG1-CB 4.1Å; V75-Q102 HydrophobicContact CG1-CG 4.48Å; T76-Q102 CarbonylContact O-C 3.51Å; T76-Q102 WeakPolarHBondContact O-CA 3.35Å; L100-Q102 HydrophobicContact CD1-CG 4.48Å; L100-Q102 HydrophobicContact CG-CG 4.24Å; Q102-W104 HydrophobicContact CB-CE3 4.34Å; Q102-W104 HydrophobicContact CB-CZ3 4.13Å; Q102-L134 HydrophobicContact CG-CD1 4.47Å; Q102-Y164 PolarHBondContact N-O 3.2Å; Q102-Y164 PolarHBondContact O-N 2.83Å
103	K	97.8	Very high	95.7	Very high	91 Å²	91	43.8 Å²	43.8	40%	0.396	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.8	176.3	-171.8	-179.4	178.1	-175.1	0	109.6	V75 T76 V162	V75-K103 CarbonylContact C-O 3.4Å; V75-K103 WeakPolarHBondContact CA-O 3.44Å; T76-K103 PolarHBondContact N-O 3.18Å; T76-K103 PolarHBondContact O-N 2.85Å; K103-V162 VanDerWaalsContact CA-O 3.29Å; K103-V162 WeakPolarHBondContact CA-O 3.4Å
104	W	97.8	Very high	95.2	Very high	5 Å²	5	45 Å²	45	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	168.5	173.7	68.8	95	0	0	0	110.2	V73 V75 Q102 I129 W130 P132 N161 V162 Y164	V73-W104 HydrophobicContact CG1-CB 4.07Å; V75-W104 HydrophobicContact CG2-CB 4.05Å; Q102-W104 HydrophobicContact CB-CE3 4.34Å; Q102-W104 HydrophobicContact CB-CZ3 4.13Å; W104-I129 HydrophobicContact CZ2-CD1 4.45Å; W104-W130 AromaticContact CD1-CZ3 3.94Å; W104-W130 HydrophobicContact CD2-CZ3 4.49Å; W104-W130 HydrophobicContact CG-CZ3 4.31Å; W104-W130 WeakPolarHBondContact CZ2-O 3.38Å; W104-W130 AromaticContact NE1-CE3 3.82Å; W104-W130 AromaticContact NE1-CZ3 3.9Å; W104-P132 HydrophobicContact CE3-CG 4.18Å; W104-P132 HydrophobicContact CZ3-CG 4.13Å; W104-N161 CarbonylContact O-C 3.6Å; W104-N161 WeakPolarHBondContact O-CA 3.32Å; W104-V162 HydrophobicContact CD2-CB 4.16Å; W104-V162 HydrophobicContact CH2-CB 4.29Å; W104-V162 HydrophobicContact CH2-CG1 3.74Å; W104-V162 HydrophobicContact CZ2-CB 3.8Å; W104-V162 HydrophobicContact CZ2-CG1 3.52Å; W104-V162 HydrophobicContact CZ2-CG2 4.4Å; W104-V162 HydrophobicContact CZ3-CG1 4.38Å; W104-V162 PolarHBondContact N-O 2.81Å; W104-V162 PolarHBondContact O-N 3.13Å; W104-Y164 HydrophobicContact CH2-CG 4.33Å; W104-Y164 HydrophobicContact CZ3-CD1 4.44Å; W104-Y164 HydrophobicContact CZ3-CG 4.4Å
105	N	97.8	Very high	94.6	Very high	59 Å²	59	49.7 Å²	49.7	32%	0.316	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.1	175.1	-171.9	-98.5	0	0	0	110.4	P107 D159 N161	N105-P107 WeakPolarHBondContact OD1-CD 3.44Å; N105-P107 WeakPolarHBondContact OD1-CG 3.23Å; N105-D159 PolarHBondContact ND2-O 2.87Å; N105-N161 WeakPolarHBondContact CB-OD1 3.45Å; N105-N161 PolarHBondContact ND2-OD1 3.2Å
106	D	97.2	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.			trans	-119.8	99.4	168.5	-169.3	-14.7	0	0	0	109.2	Y60 P66 R108 L109 G160 V162	Y60-D106 WeakPolarHBondContact CE2-OD2 3.33Å; Y60-D106 PolarHBondContact OH-OD2 2.99Å; P66-D106 HydrophobicContact CB-CB 4.33Å; P66-D106 HydrophobicContact CG-CB 3.91Å; D106-R108 PolarHBondContact O-N 3.36Å; D106-R108 WeakPolarHBondContact OD1-CB 3.33Å; D106-R108 IonicContact OD1-CZ 3.64Å; D106-R108 PolarHBondContact OD1-N 3.5Å; D106-R108 IonicContact OD1-NE 2.87Å; D106-R108 PolarHBondContact OD1-NE 2.87Å; D106-R108 IonicContact OD1-NH2 3.53Å; D106-R108 IonicContact OD2-CZ 3.56Å; D106-R108 IonicContact OD2-NE 3.5Å; D106-R108 PolarHBondContact OD2-NE 3.01Å; D106-R108 IonicContact OD2-NH2 2.81Å; D106-R108 PolarHBondContact OD2-NH2 3.37Å; D106-L109 HydrophobicContact CB-CB 4.44Å; D106-L109 HydrophobicContact CB-CD1 4.01Å; D106-L109 HydrophobicContact CB-CG 4.23Å; D106-L109 PolarHBondContact O-N 2.86Å; D106-G160 PolarHBondContact N-O 2.79Å; D106-V162 HydrophobicContact CB-CG2 4.45Å
107	P	95.3	Very high	93.8	Very high	62 Å²	62	52.4 Å²	52.4	40%	0.403	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.9	-23	-178.4	-26.8	34.9	0	0	0	114.3	N105 L109 A110	N105-P107 WeakPolarHBondContact OD1-CD 3.44Å; N105-P107 WeakPolarHBondContact OD1-CG 3.23Å; P107-L109 VanDerWaalsContact C-N 3.25Å; P107-L109 PolarHBondContact O-N 2.75Å; P107-A110 WeakPolarHBondContact O-CB 3.33Å; P107-A110 PolarHBondContact O-N 2.89Å
108	R	94.6	Very high	93.6	Very high	85 Å²	85	53.4 Å²	53.4	32%	0.321	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-72.3	-22	179.5	-55.6	170.1	-66.2	178.1	3.7	112.4	Y60 D61 I64 D106	Y60-R108 HydrophobicContact CD2-CB 3.85Å; Y60-R108 HydrophobicContact CE2-CB 4.01Å; D61-R108 PolarHBondContact O-NH1 3Å; I64-R108 PolarHBondContact O-NH1 3.12Å; I64-R108 PolarHBondContact O-NH2 3.19Å; I64-R108 VanDerWaalsContact O-NH2 3.13Å; D106-R108 PolarHBondContact O-N 3.36Å; D106-R108 WeakPolarHBondContact OD1-CB 3.33Å; D106-R108 IonicContact OD1-CZ 3.64Å; D106-R108 PolarHBondContact OD1-N 3.5Å; D106-R108 IonicContact OD1-NE 2.87Å; D106-R108 PolarHBondContact OD1-NE 2.87Å; D106-R108 IonicContact OD1-NH2 3.53Å; D106-R108 IonicContact OD2-CZ 3.56Å; D106-R108 IonicContact OD2-NE 3.5Å; D106-R108 PolarHBondContact OD2-NE 3.01Å; D106-R108 IonicContact OD2-NH2 2.81Å; D106-R108 PolarHBondContact OD2-NH2 3.37Å
109	L	93.9	Very high	93.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-94.8	2.1	178.1	-62.7	175.9	0	0	0	112.5	L53 M54 Y60 D106 P107 I129 I156 V162	L53-L109 HydrophobicContact CD2-CD2 4.18Å; L53-L109 HydrophobicContact CG-CD2 4.04Å; M54-L109 HydrophobicContact CG-CD2 4Å; Y60-L109 HydrophobicContact CD2-CD2 3.96Å; Y60-L109 HydrophobicContact CD2-CG 4.47Å; Y60-L109 HydrophobicContact CE2-CD1 4.28Å; Y60-L109 HydrophobicContact CE2-CD2 3.62Å; Y60-L109 HydrophobicContact CE2-CG 3.77Å; D106-L109 HydrophobicContact CB-CB 4.44Å; D106-L109 HydrophobicContact CB-CD1 4.01Å; D106-L109 HydrophobicContact CB-CG 4.23Å; D106-L109 PolarHBondContact O-N 2.86Å; P107-L109 VanDerWaalsContact C-N 3.25Å; P107-L109 PolarHBondContact O-N 2.75Å; L109-I129 HydrophobicContact CD1-CG2 4.26Å; L109-I156 HydrophobicContact CB-CG2 4.13Å; L109-I156 HydrophobicContact CD1-CD1 4.12Å; L109-V162 HydrophobicContact CD1-CG2 3.86Å
110	A	93.7	Very high	92.9	Very high	45 Å²	45	56.4 Å²	56.4	37%	0.372	31%	0.305	S	S	.	.			trans	-67.9	138.7	176.1	0	0	0	0	0	110.9	P107	P107-A110 WeakPolarHBondContact O-CB 3.33Å; P107-A110 PolarHBondContact O-N 2.89Å
111	Y	92.1	Very high	92.6	Very high	17 Å²	17	57.1 Å²	57.1	7%	0.067	31%	0.309	C	S	.	.			trans	-141	145.5	-177.1	64.1	-88.8	0	0	0	112.8	F49 D116 S118 L119 I156 K158	F49-Y111 HydrophobicContact CE1-CG 4.42Å; F49-Y111 HydrophobicContact CZ-CD1 4.28Å; F49-Y111 AromaticContact CZ-CD2 3.82Å; F49-Y111 HydrophobicContact CZ-CD2 3.82Å; F49-Y111 AromaticContact CZ-CG 3.63Å; F49-Y111 HydrophobicContact CZ-CG 3.63Å; Y111-D116 WeakPolarHBondContact CE2-O 3.3Å; Y111-D116 PolarHBondContact OH-O 2.88Å; Y111-S118 VanDerWaalsContact OH-CA 3.32Å; Y111-S118 WeakPolarHBondContact OH-CA 3.12Å; Y111-S118 PolarHBondContact OH-N 2.63Å; Y111-L119 HydrophobicContact CD1-CD1 4.28Å; Y111-L119 HydrophobicContact CE1-CD1 3.73Å; Y111-L119 HydrophobicContact CE1-CG 4.29Å; Y111-L119 HydrophobicContact CE2-CD1 4.03Å; Y111-L119 HydrophobicContact CE2-CG 4.36Å; Y111-L119 PolarHBondContact OH-N 2.99Å; Y111-I156 HydrophobicContact CE1-CG2 4.1Å; Y111-I156 PolarHBondContact OH-O 3.19Å; Y111-K158 HydrophobicContact CD2-CG 4.04Å; Y111-K158 HydrophobicContact CE1-CG 4.48Å; Y111-K158 HydrophobicContact CE2-CB 4.42Å; Y111-K158 HydrophobicContact CE2-CD 4.45Å; Y111-K158 HydrophobicContact CE2-CG 3.46Å; Y111-K158 VanDerWaalsContact CE2-CG 3.46Å; Y111-K158 PolarHBondContact N-O 2.91Å; Y111-K158 VanDerWaalsContact N-O 3.09Å
112	S	89.5	Confident	92.1	Very high	108 Å²	108	58.2 Å²	58.2	76%	0.755	32%	0.32	S	S	*	.	S	Bend	trans	-122.3	-20	179	57.2	0	0	0	0	113.7
113	K	84.7	Confident	91.7	Very high	163 Å²	163	59.6 Å²	59.6	71%	0.709	33%	0.329	S	S	*	.	S	Bend	trans	-76.8	-24.2	-173.6	-64.6	-176.3	-179.4	176.8	0	113.9
114	Y	85.7	Confident	91.2	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.184	34%	0.338	C	S	.	.	S	Bend	trans	-92.9	135.7	-178.8	-155.4	-94.6	0	0	0	110.5	F49 D116 L119 K158	F49-Y114 HydrophobicContact CB-CD2 4.44Å; F49-Y114 HydrophobicContact CD1-CD2 4.18Å; F49-Y114 HydrophobicContact CD2-CD2 4.28Å; F49-Y114 AromaticContact CG-CD2 4Å; F49-Y114 HydrophobicContact CG-CD2 4Å; Y114-D116 HydrophobicContact CD1-CB 3.92Å; Y114-D116 HydrophobicContact CE1-CB 3.9Å; Y114-D116 WeakPolarHBondContact CE1-OD2 3.47Å; Y114-D116 PolarHBondContact O-N 2.79Å; Y114-L119 HydrophobicContact CD1-CD2 3.63Å; Y114-L119 HydrophobicContact CD1-CG 4.48Å; Y114-L119 HydrophobicContact CE1-CD2 3.52Å; Y114-L119 HydrophobicContact CG-CD2 4.37Å; Y114-K158 VanDerWaalsContact O-CE 3.28Å; Y114-K158 WeakPolarHBondContact O-CE 3.33Å; Y114-K158 PolarHBondContact O-NZ 2.93Å
115	P	86.3	Confident	90.7	Very high	99 Å²	99	61.1 Å²	61.1	64%	0.643	35%	0.348	S	S	*	.	S	Bend	trans	-69.9	-32.4	-171.8	26.1	-34.3	0	0	0	113.5	K158	P115-K158 VanDerWaalsContact O-CE 3.31Å; P115-K158 WeakPolarHBondContact O-CE 3.45Å; P115-K158 PolarHBondContact O-NZ 2.79Å
116	D	88.1	Confident	90.2	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	34%	0.335	S	S	.	.	S	Bend	trans	-73.4	140.2	-174.7	-62.7	-19.2	0	0	0	112.7	Y111 Y114 S118 K158	Y111-D116 WeakPolarHBondContact CE2-O 3.3Å; Y111-D116 PolarHBondContact OH-O 2.88Å; Y114-D116 HydrophobicContact CD1-CB 3.92Å; Y114-D116 HydrophobicContact CE1-CB 3.9Å; Y114-D116 WeakPolarHBondContact CE1-OD2 3.47Å; Y114-D116 PolarHBondContact O-N 2.79Å; D116-S118 PolarHBondContact O-N 2.9Å; D116-K158 WeakPolarHBondContact O-CE 3.17Å
117	S	89.3	Confident	89.8	Confident	83 Å²	83	64.8 Å²	64.8	58%	0.58	37%	0.367	S	S	*	.	S	Bend	trans	-67.2	-22.7	-179.5	53.2	0	0	0	0	114.1	K158	S117-K158 PolarHBondContact O-N 2.8Å; S117-K158 VanDerWaalsContact O-N 3.13Å
118	S	92.1	Very high	89.6	Confident	32 Å²	32	64.2 Å²	64.2	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.1	-179.2	56.8	0	0	0	0	110.4	Y111 D116 I156	Y111-S118 VanDerWaalsContact OH-CA 3.32Å; Y111-S118 WeakPolarHBondContact OH-CA 3.12Å; Y111-S118 PolarHBondContact OH-N 2.63Å; D116-S118 PolarHBondContact O-N 2.9Å; S118-I156 CarbonylContact C-O 3.56Å; S118-I156 VanDerWaalsContact CA-O 3.32Å; S118-I156 WeakPolarHBondContact CA-O 3.43Å
119	L	91.1	Very high	89.6	Confident	20 Å²	20	60.4 Å²	60.4	11%	0.105	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.7	175.4	-67.9	166.7	0	0	0	108.8	F49 Y111 Y114 L121 R155 I156	F49-L119 HydrophobicContact CD1-CD1 4.1Å; F49-L119 HydrophobicContact CE1-CD1 3.36Å; F49-L119 HydrophobicContact CZ-CD1 4.21Å; Y111-L119 HydrophobicContact CD1-CD1 4.28Å; Y111-L119 HydrophobicContact CE1-CD1 3.73Å; Y111-L119 HydrophobicContact CE1-CG 4.29Å; Y111-L119 HydrophobicContact CE2-CD1 4.03Å; Y111-L119 HydrophobicContact CE2-CG 4.36Å; Y111-L119 PolarHBondContact OH-N 2.99Å; Y114-L119 HydrophobicContact CD1-CD2 3.63Å; Y114-L119 HydrophobicContact CD1-CG 4.48Å; Y114-L119 HydrophobicContact CE1-CD2 3.52Å; Y114-L119 HydrophobicContact CG-CD2 4.37Å; L119-L121 HydrophobicContact CB-CD2 4.34Å; L119-R155 CarbonylContact O-C 3.59Å; L119-R155 VanDerWaalsContact O-CA 3.28Å; L119-R155 WeakPolarHBondContact O-CA 3.24Å; L119-I156 PolarHBondContact N-O 2.92Å; L119-I156 PolarHBondContact O-N 2.98Å
120	D	91	Very high	89.7	Confident	100 Å²	100	60.7 Å²	60.7	54%	0.535	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.1	168.3	-74.5	-38.1	0	0	0	108.7	R155	D120-R155 VanDerWaalsContact CG-NH2 3.29Å; D120-R155 IonicContact OD1-CZ 3.22Å; D120-R155 IonicContact OD1-NE 2.65Å; D120-R155 PolarHBondContact OD1-NE 3.33Å; D120-R155 IonicContact OD1-NH2 2.94Å; D120-R155 PolarHBondContact OD1-NH2 2.72Å; D120-R155 IonicContact OD2-CZ 3.68Å; D120-R155 IonicContact OD2-NE 3.75Å; D120-R155 IonicContact OD2-NH2 2.82Å; D120-R155 PolarHBondContact OD2-NH2 2.93Å
121	L	90.1	Very high	89.7	Confident	18 Å²	18	62.4 Å²	62.4	9%	0.094	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.3	-175.4	-60.6	-177.9	0	0	0	111.2	L50 M54 L119 L154 I156	L50-L121 HydrophobicContact CD1-CD2 3.99Å; L50-L121 HydrophobicContact CD2-CD2 3.42Å; L50-L121 VanDerWaalsContact CD2-CD2 3.42Å; L50-L121 HydrophobicContact CG-CD2 4.37Å; M54-L121 HydrophobicContact CE-CD1 4.22Å; L119-L121 HydrophobicContact CB-CD2 4.34Å; L121-L154 HydrophobicContact CB-CB 4.29Å; L121-L154 HydrophobicContact CB-CD2 3.97Å; L121-L154 HydrophobicContact CB-CG 4.17Å; L121-L154 HydrophobicContact CD1-CD2 3.75Å; L121-L154 HydrophobicContact CD1-CG 4.2Å; L121-L154 HydrophobicContact CG-CD2 4.44Å; L121-L154 PolarHBondContact N-O 2.69Å; L121-I156 HydrophobicContact CD1-CD1 3.47Å; L121-I156 VanDerWaalsContact CD1-CD1 3.47Å; L121-I156 HydrophobicContact CD1-CG1 3.93Å
122	D	88.7	Confident	90	Very high	100 Å²	100	62 Å²	62	54%	0.535	35%	0.351	S	S	.	.			trans	-64	140.3	172.2	-172.7	-91.5	0	0	0	110.8	S124 M125	D122-S124 PolarHBondContact O-N 3.05Å; D122-S124 VanDerWaalsContact O-N 3.09Å; D122-S124 WeakPolarHBondContact OD1-CB 3.25Å; D122-S124 PolarHBondContact OD1-N 2.89Å; D122-S124 PolarHBondContact OD1-OG 2.93Å; D122-M125 WeakPolarHBondContact O-CB 3.4Å; D122-M125 PolarHBondContact O-N 3.49Å
123	P	88.1	Confident	90.3	Very high	33 Å²	33	59.2 Å²	59.2	21%	0.214	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-53.6	-27.8	177.7	-30.4	38.1	0	0	0	115.1	M125 L126 D150 K152	P123-M125 PolarHBondContact O-N 2.88Å; P123-L126 HydrophobicContact CB-CD1 4.32Å; P123-L126 VanDerWaalsContact O-CB 3.24Å; P123-L126 WeakPolarHBondContact O-CB 3.37Å; P123-L126 WeakPolarHBondContact O-CD1 3.47Å; P123-L126 WeakPolarHBondContact O-CG 3.39Å; P123-L126 PolarHBondContact O-N 3.44Å; P123-L126 VanDerWaalsContact O-N 3.09Å; P123-D150 HydrophobicContact CB-CB 4.22Å; P123-K152 HydrophobicContact CB-CB 4.21Å; P123-K152 HydrophobicContact CG-CB 4.4Å; P123-K152 WeakPolarHBondContact CG-O 3.39Å
124	S	87.3	Confident	90.9	Very high	82 Å²	82	52.8 Å²	52.8	57%	0.573	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-60.8	-24.4	176.8	60.2	0	0	0	0	113.5	D122 L126	D122-S124 PolarHBondContact O-N 3.05Å; D122-S124 VanDerWaalsContact O-N 3.09Å; D122-S124 WeakPolarHBondContact OD1-CB 3.25Å; D122-S124 PolarHBondContact OD1-N 2.89Å; D122-S124 PolarHBondContact OD1-OG 2.93Å; S124-L126 VanDerWaalsContact C-N 3.25Å; S124-L126 PolarHBondContact O-N 3.09Å
125	M	87.5	Confident	91.4	Very high	47 Å²	47	53 Å²	53	23%	0.232	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-77.5	-8.2	178.4	-62.1	-62.1	-68.1	0	0	113.3	M54 D122 P123 D127 S128	M54-M125 HydrophobicContact CE-CE 3.41Å; M54-M125 VanDerWaalsContact CE-CE 3.41Å; M54-M125 HydrophobicContact SD-CE 4.37Å; D122-M125 WeakPolarHBondContact O-CB 3.4Å; D122-M125 PolarHBondContact O-N 3.49Å; P123-M125 PolarHBondContact O-N 2.88Å; M125-D127 PolarHBondContact O-N 3.01Å; M125-S128 WeakPolarHBondContact O-CB 3.31Å; M125-S128 PolarHBondContact O-N 3Å
126	L	88.5	Confident	92	Very high	6 Å²	6	49 Å²	49	3%	0.031	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.2	-22.4	-178.6	-79.9	165.1	0	0	0	114.4	P123 S124 S128 I129 K152 L154 Y164	P123-L126 HydrophobicContact CB-CD1 4.32Å; P123-L126 VanDerWaalsContact O-CB 3.24Å; P123-L126 WeakPolarHBondContact O-CB 3.37Å; P123-L126 WeakPolarHBondContact O-CD1 3.47Å; P123-L126 WeakPolarHBondContact O-CG 3.39Å; P123-L126 PolarHBondContact O-N 3.44Å; P123-L126 VanDerWaalsContact O-N 3.09Å; S124-L126 VanDerWaalsContact C-N 3.25Å; S124-L126 PolarHBondContact O-N 3.09Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-I129 HydrophobicContact CD2-CD1 4.24Å; L126-K152 HydrophobicContact CD1-CB 3.69Å; L126-K152 HydrophobicContact CD1-CD 3.44Å; L126-K152 VanDerWaalsContact CD1-CD 3.44Å; L126-K152 HydrophobicContact CD1-CG 4.19Å; L126-L154 HydrophobicContact CD2-CB 4.06Å; L126-L154 HydrophobicContact CD2-CD1 4.07Å; L126-L154 HydrophobicContact CD2-CD2 3.87Å; L126-L154 HydrophobicContact CD2-CG 4.22Å; L126-L154 HydrophobicContact CG-CB 4.43Å; L126-L154 HydrophobicContact CG-CD2 4.22Å; L126-Y164 HydrophobicContact CD1-CD2 4.46Å; L126-Y164 HydrophobicContact CD1-CE2 3.7Å; L126-Y164 HydrophobicContact CD2-CD2 3.61Å; L126-Y164 HydrophobicContact CD2-CE2 3.44Å; L126-Y164 VanDerWaalsContact CD2-CE2 3.44Å; L126-Y164 HydrophobicContact CG-CE2 4.25Å
127	D	88.7	Confident	92.4	Very high	129 Å²	129	46.6 Å²	46.6	69%	0.69	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-82.1	-12.8	176.4	-69	-27.7	0	0	0	112.7	M125 K131	M125-D127 PolarHBondContact O-N 3.01Å; D127-K131 IonicContact OD1-NZ 2.94Å; D127-K131 PolarHBondContact OD1-NZ 3.05Å
128	S	90.9	Very high	92.7	Very high	51 Å²	51	43.7 Å²	43.7	36%	0.357	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-90.6	-4.6	176.9	-58.1	0	0	0	0	113.3	Y60 M125 L126	Y60-S128 VanDerWaalsContact CE1-O 3.23Å; Y60-S128 WeakPolarHBondContact CE1-O 3.32Å; M125-S128 WeakPolarHBondContact O-CB 3.31Å; M125-S128 PolarHBondContact O-N 3Å; L126-S128 VanDerWaalsContact C-N 3.29Å
129	I	93.7	Very high	92.9	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-117.7	152	177.9	64.4	160	0	0	0	112.1	M54 W104 L109 L126 L154 V162	M54-I129 HydrophobicContact CG-CG2 4.37Å; M54-I129 HydrophobicContact SD-CG2 3.45Å; M54-I129 WeakPolarHBondContact SD-CG2 3.4Å; W104-I129 HydrophobicContact CZ2-CD1 4.45Å; L109-I129 HydrophobicContact CD1-CG2 4.26Å; L126-I129 HydrophobicContact CD2-CD1 4.24Å; I129-L154 HydrophobicContact CD1-CD1 3.48Å; I129-L154 VanDerWaalsContact CD1-CD1 3.48Å; I129-L154 HydrophobicContact CD1-CD2 3.65Å; I129-L154 HydrophobicContact CD1-CG 4.22Å; I129-L154 HydrophobicContact CG1-CD2 4.34Å; I129-V162 HydrophobicContact CD1-CG1 4.4Å
130	W	96.1	Very high	93.2	Very high	7 Å²	7	50 Å²	50	3%	0.027	27%	0.269	C	S	.	.			trans	-67.4	134.9	167.3	-179.2	89	0	0	0	109.7	Y60 A62 R65 P66 V73 W104 P132 Y197 L202	Y60-W130 PolarHBondContact OH-N 3.29Å; A62-W130 WeakPolarHBondContact O-CA 3.44Å; A62-W130 WeakPolarHBondContact O-CB 3.31Å; R65-W130 HydrophobicContact CB-CD2 4.5Å; R65-W130 HydrophobicContact CB-CZ2 3.88Å; P66-W130 VanDerWaalsContact CD-CD2 3.45Å; P66-W130 HydrophobicContact CG-CD2 4.34Å; P66-W130 HydrophobicContact CG-CE3 3.84Å; P66-W130 HydrophobicContact CG-CZ3 4.15Å; V73-W130 HydrophobicContact CB-CH2 4.46Å; V73-W130 HydrophobicContact CG1-CH2 4.21Å; V73-W130 HydrophobicContact CG1-CZ3 4.23Å; W104-W130 AromaticContact CD1-CZ3 3.94Å; W104-W130 HydrophobicContact CD2-CZ3 4.49Å; W104-W130 HydrophobicContact CG-CZ3 4.31Å; W104-W130 WeakPolarHBondContact CZ2-O 3.38Å; W104-W130 AromaticContact NE1-CE3 3.82Å; W104-W130 AromaticContact NE1-CZ3 3.9Å; W130-P132 HydrophobicContact CH2-CB 4.03Å; W130-P132 HydrophobicContact CZ3-CB 4.39Å; W130-Y197 HydrophobicContact CZ2-CE2 4.02Å; W130-Y197 AromaticContact NE1-CZ 3.78Å; W130-Y197 PolarHBondContact NE1-OH 3.27Å; W130-Y197 VanDerWaalsContact NE1-OH 3.11Å; W130-L202 HydrophobicContact CH2-CD1 3.9Å; W130-L202 HydrophobicContact CZ2-CD1 4.06Å
131	K	95.4	Very high	93.4	Very high	81 Å²	81	46.6 Å²	46.6	35%	0.352	26%	0.257	S	S	.	.			trans	-130.1	141.4	174.9	56.2	-179.6	173	-79.3	0	109.9	D127	D127-K131 IonicContact OD1-NZ 2.94Å; D127-K131 PolarHBondContact OD1-NZ 3.05Å
132	P	97.1	Very high	93.7	Very high	10 Å²	10	48 Å²	48	7%	0.065	27%	0.272	C	S	.	.			trans	-62.6	143.2	174.5	27.4	-35.7	0	0	0	111.1	V75 W104 W130 L134 L202 F204	V75-P132 HydrophobicContact CG1-CG 4.16Å; V75-P132 HydrophobicContact CG2-CB 4.12Å; V75-P132 HydrophobicContact CG2-CG 4.38Å; W104-P132 HydrophobicContact CE3-CG 4.18Å; W104-P132 HydrophobicContact CZ3-CG 4.13Å; W130-P132 HydrophobicContact CH2-CB 4.03Å; W130-P132 HydrophobicContact CZ3-CB 4.39Å; P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 2.88Å; P132-L202 HydrophobicContact CB-CD1 3.98Å; P132-F204 HydrophobicContact CB-CE1 4.36Å
133	D	95.8	Very high	93.9	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	27%	0.271	S	S	.	.			trans	-90.2	54.4	-176.3	61.6	-19.4	0	0	0	111.9	F135 S194 F195 G196 Y197	D133-F135 PolarHBondContact O-N 2.75Å; D133-S194 PolarHBondContact OD1-OG 3.46Å; D133-F195 PolarHBondContact O-N 2.83Å; D133-G196 VanDerWaalsContact OD2-CA 3.28Å; D133-G196 WeakPolarHBondContact OD2-CA 3.48Å; D133-G196 PolarHBondContact OD2-N 2.91Å; D133-Y197 VanDerWaalsContact OD1-CD2 3.29Å; D133-Y197 WeakPolarHBondContact OD1-CD2 3.4Å; D133-Y197 WeakPolarHBondContact OD2-CD2 3.36Å; D133-Y197 PolarHBondContact OD2-N 2.92Å
134	L	97.6	Very high	94.3	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.6	177.3	-169	153.1	0	0	0	110.5	L100 Q102 P132 F136 L192 F204	L100-L134 HydrophobicContact CD2-CD1 4.26Å; L100-L134 HydrophobicContact CD2-CD2 3.83Å; Q102-L134 HydrophobicContact CG-CD1 4.47Å; P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 2.88Å; L134-F136 HydrophobicContact CD2-CE2 4.16Å; L134-F136 HydrophobicContact CD2-CZ 4.27Å; L134-L192 HydrophobicContact CD1-CB 4.16Å; L134-L192 HydrophobicContact CD1-CD2 3.84Å; L134-L192 HydrophobicContact CD2-CB 4.14Å; L134-L192 HydrophobicContact CD2-CD2 4.01Å; L134-L192 HydrophobicContact CD2-CG 4.16Å; L134-L192 HydrophobicContact CG-CB 4.23Å; L134-L192 HydrophobicContact CG-CD2 4.44Å; L134-F204 HydrophobicContact CB-CE1 4.48Å; L134-F204 HydrophobicContact CB-CE2 4.36Å; L134-F204 HydrophobicContact CB-CZ 3.79Å; L134-F204 HydrophobicContact CD1-CE1 4.05Å; L134-F204 HydrophobicContact CD1-CE2 4.22Å; L134-F204 HydrophobicContact CD1-CZ 3.89Å; L134-F204 HydrophobicContact CG-CE2 4.15Å; L134-F204 HydrophobicContact CG-CZ 3.97Å
135	F	97.1	Very high	94.6	Very high	52 Å²	52	51.2 Å²	51.2	23%	0.228	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.2	165.9	79.8	-72.6	0	0	0	110.2	D133 A137 E193 F195	D133-F135 PolarHBondContact O-N 2.75Å; F135-A137 HydrophobicContact CE2-CB 4.33Å; F135-E193 HydrophobicContact CD1-CB 4.24Å; F135-E193 WeakPolarHBondContact CD1-O 3.43Å; F135-E193 HydrophobicContact CE1-CB 3.61Å; F135-E193 HydrophobicContact CE1-CG 3.67Å; F135-E193 HydrophobicContact CZ-CB 3.84Å; F135-E193 HydrophobicContact CZ-CG 3.91Å; F135-E193 PolarHBondContact N-O 2.84Å; F135-E193 PolarHBondContact O-N 2.96Å; F135-F195 HydrophobicContact CD1-CB 3.68Å; F135-F195 HydrophobicContact CD1-CD2 4.06Å; F135-F195 HydrophobicContact CD1-CG 4.39Å; F135-F195 HydrophobicContact CE1-CB 3.91Å; F135-F195 AromaticContact CE1-CD2 3.96Å; F135-F195 HydrophobicContact CE1-CD2 3.96Å; F135-F195 HydrophobicContact CE1-CG 4.44Å; F135-F195 HydrophobicContact CG-CD2 4.4Å; F135-F195 HydrophobicContact CZ-CD2 4.23Å
136	F	97.9	Very high	94.8	Very high	13 Å²	13	54 Å²	54	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.1	173.5	-67.3	-88.4	0	0	0	107.2	I98 L100 L134 E139 L168 L170 L172 M190 Q191 L192	I98-F136 HydrophobicContact CD1-CE1 4.2Å; I98-F136 HydrophobicContact CD1-CZ 3.82Å; L100-F136 HydrophobicContact CD2-CZ 4.25Å; L134-F136 HydrophobicContact CD2-CE2 4.16Å; L134-F136 HydrophobicContact CD2-CZ 4.27Å; F136-E139 HydrophobicContact CB-CB 3.96Å; F136-L168 HydrophobicContact CE2-CD1 3.75Å; F136-L168 HydrophobicContact CZ-CD1 4.19Å; F136-L170 HydrophobicContact CD1-CD1 3.8Å; F136-L170 HydrophobicContact CD2-CD1 3.96Å; F136-L170 HydrophobicContact CD2-CD2 3.78Å; F136-L170 HydrophobicContact CE1-CD1 3.48Å; F136-L170 VanDerWaalsContact CE1-CD1 3.48Å; F136-L170 HydrophobicContact CE2-CD1 3.68Å; F136-L170 HydrophobicContact CE2-CD2 3.84Å; F136-L170 HydrophobicContact CE2-CG 4.4Å; F136-L170 HydrophobicContact CG-CD1 4.04Å; F136-L170 HydrophobicContact CG-CD2 4.39Å; F136-L170 HydrophobicContact CZ-CD1 3.44Å; F136-L170 VanDerWaalsContact CZ-CD1 3.44Å; F136-L170 HydrophobicContact CZ-CD2 4.46Å; F136-L172 HydrophobicContact CB-CD2 4.24Å; F136-M190 HydrophobicContact CD1-CG 3.92Å; F136-M190 HydrophobicContact CD1-SD 4.45Å; F136-M190 HydrophobicContact CE1-CG 3.94Å; F136-M190 HydrophobicContact CE1-SD 3.89Å; F136-Q191 CarbonylContact C-O 3.58Å; F136-Q191 WeakPolarHBondContact CA-O 3.41Å; F136-L192 HydrophobicContact CD1-CD1 4.28Å; F136-L192 HydrophobicContact CD1-CG 3.98Å; F136-L192 HydrophobicContact CE1-CD1 3.98Å; F136-L192 HydrophobicContact CE1-CD2 4.04Å; F136-L192 HydrophobicContact CE1-CG 3.63Å; F136-L192 HydrophobicContact CZ-CD2 4.37Å; F136-L192 HydrophobicContact CZ-CG 4.33Å
137	A	96.3	Very high	94.8	Very high	34 Å²	34	59.1 Å²	59.1	28%	0.281	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-21.6	-174.3	0	0	0	0	0	113.8	F135 Q191 E193	F135-A137 HydrophobicContact CE2-CB 4.33Å; A137-Q191 HydrophobicContact CB-CB 4.01Å; A137-Q191 PolarHBondContact N-O 2.61Å; A137-E193 HydrophobicContact CB-CB 4.39Å
138	N	96.4	Very high	94.9	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.112	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	27.3	-177.4	67.1	-42	0	0	0	112.7	S173 T189 Q191	N138-S173 PolarHBondContact ND2-O 3.49Å; N138-S173 WeakPolarHBondContact O-CB 3.22Å; N138-S173 PolarHBondContact O-N 2.94Å; N138-T189 PolarHBondContact ND2-O 3.06Å; N138-Q191 PolarHBondContact OD1-N 3.17Å
139	E	96.6	Very high	94.9	Very high	82 Å²	82	61.6 Å²	61.6	38%	0.383	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.4	176.5	88.1	-64.9	-161.1	0	0	112.5	F136 L172	F136-E139 HydrophobicContact CB-CB 3.96Å; E139-L172 HydrophobicContact CB-CD2 4.1Å
140	K	96.1	Very high	94.7	Very high	104 Å²	104	65 Å²	65	45%	0.452	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-24.7	165.9	-63.9	-173.2	-174.1	174.8	0	111.9	T91 D93 I171	T91-K140 PolarHBondContact O-NZ 3.3Å; D93-K140 HydrophobicContact CB-CD 4.14Å; D93-K140 WeakPolarHBondContact OD2-CD 3.32Å; D93-K140 IonicContact OD2-NZ 3.46Å; D93-K140 PolarHBondContact OD2-NZ 2.91Å; K140-I171 HydrophobicContact CB-CG2 4.27Å; K140-I171 PolarHBondContact N-O 2.78Å
141	G	95.3	Very high	94.6	Very high	27 Å²	27	67.1 Å²	67.1	28%	0.278	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	146.7	177.6	0	0	0	0	0	110.8	I171	G141-I171 PolarHBondContact N-O 3.25Å; G141-I171 PolarHBondContact O-N 2.93Å
142	A	95.9	Very high	94.5	Very high	49 Å²	49	66.3 Å²	66.3	41%	0.405	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.2	-179.3	0	0	0	0	0	109.5	T169 L170	A142-T169 WeakPolarHBondContact CA-O 3.25Å; A142-L170 HydrophobicContact CB-CD2 3.53Å
143	N	94.7	Very high	94.4	Very high	97 Å²	97	69.3 Å²	69.3	52%	0.519	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.3	177.8	-64.8	-16.8	0	0	0	110	T169	N143-T169 PolarHBondContact N-O 2.75Å; N143-T169 PolarHBondContact O-N 3.49Å
144	F	94.8	Very high	94.4	Very high	137 Å²	137	67 Å²	67	60%	0.601	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	156.6	164.9	-61.2	-81.3	0	0	0	110	I166 L168	F144-I166 HydrophobicContact CE1-CD1 4.48Å; F144-L168 HydrophobicContact CD1-CD2 3.33Å; F144-L168 HydrophobicContact CE1-CD2 3.41Å; F144-L168 VanDerWaalsContact CE1-CD2 3.41Å; F144-L168 HydrophobicContact CG-CD2 4.19Å; F144-L168 HydrophobicContact CZ-CD2 4.3Å
145	H	94	Very high	94.3	Very high	47 Å²	47	69.2 Å²	69.2	22%	0.218	37%	0.373	C	S	.	.			trans	-110.4	117.3	175.7	-65.2	-103.8	0	0	0	110	N97 N151 R167 T169	N97-H145 PolarHBondContact ND2-CE1 3.16Å; N97-H145 PolarHBondContact ND2-NE2 2.85Å; H145-N151 HydrophobicContact CB-CB 4.22Å; H145-N151 WeakPolarHBondContact CB-ND2 3.35Å; H145-N151 WeakPolarHBondContact O-CB 3.42Å; H145-N151 PolarHBondContact O-N 3.45Å; H145-N151 PolarHBondContact O-ND2 3.49Å; H145-N151 VanDerWaalsContact O-ND2 3.14Å; H145-R167 HydrophobicContact CB-CG 4.45Å; H145-T169 PolarHBondContact CE1-OG1 3.07Å; H145-T169 PolarHBondContact NE2-N 2.84Å; H145-T169 PolarHBondContact NE2-OG1 2.84Å
146	D	91.2	Very high	94.2	Very high	106 Å²	106	66.8 Å²	66.8	57%	0.567	36%	0.362	S	S	*	.			trans	-113.2	-5.2	-173.3	58.7	-18	0	0	0	113.8	T148 T149	D146-T148 CarbonylContact O-C 3.56Å; D146-T148 VanDerWaalsContact O-C 3.28Å; D146-T149 CarbonylContact C-O 3.48Å; D146-T149 CarbonylContact O-C 3.51Å; D146-T149 WeakPolarHBondContact O-CA 3.23Å; D146-T149 PolarHBondContact O-N 2.89Å; D146-T149 VanDerWaalsContact O-N 3.12Å
147	V	90.3	Very high	94.1	Very high	113 Å²	113	69 Å²	69	69%	0.685	37%	0.372	S	S	*	.	S	Bend	trans	-94.9	132	179.7	-178.8	0	0	0	0	111.4	T149 N151	V147-T149 VanDerWaalsContact C-N 3.33Å; V147-N151 PolarHBondContact O-ND2 3.46Å
148	T	90.5	Very high	94	Very high	136 Å²	136	71 Å²	71	83%	0.834	38%	0.375	S	S	*	.	S	Bend	cis	-79	-14.2	-11.5	49.6	0	0	0	0	113.4	D146	D146-T148 CarbonylContact O-C 3.56Å; D146-T148 VanDerWaalsContact O-C 3.28Å
149	T	89.8	Confident	94	Very high	96 Å²	96	74.4 Å²	74.4	59%	0.589	39%	0.393	S	S	*	.	S	Bend	trans	-136.8	162.5	174.2	51.6	0	0	0	0	108.2	D146 V147 N151	D146-T149 CarbonylContact C-O 3.48Å; D146-T149 CarbonylContact O-C 3.51Å; D146-T149 WeakPolarHBondContact O-CA 3.23Å; D146-T149 PolarHBondContact O-N 2.89Å; D146-T149 VanDerWaalsContact O-N 3.12Å; V147-T149 VanDerWaalsContact C-N 3.33Å; T149-N151 PolarHBondContact O-N 3.29Å; T149-N151 VanDerWaalsContact O-N 3.08Å
150	D	90.6	Very high	93.9	Very high	76 Å²	76	70.5 Å²	70.5	41%	0.406	38%	0.375	S	S	.	.			trans	-51.3	117.5	172.8	-86	10.9	0	0	0	111.5	P123 K152	P123-D150 HydrophobicContact CB-CB 4.22Å; D150-K152 HydrophobicContact CB-CD 4.49Å; D150-K152 HydrophobicContact CB-CG 4.3Å; D150-K152 PolarHBondContact O-N 3.01Å; D150-K152 IonicContact OD2-NZ 3.33Å
151	N	92.7	Very high	93.9	Very high	52 Å²	52	67.1 Å²	67.1	28%	0.278	36%	0.361	S	S	.	.			trans	-80.2	66.9	-179.5	-68.4	-52.5	0	0	0	110.7	H145 V147 T149 R167	H145-N151 HydrophobicContact CB-CB 4.22Å; H145-N151 WeakPolarHBondContact CB-ND2 3.35Å; H145-N151 WeakPolarHBondContact O-CB 3.42Å; H145-N151 PolarHBondContact O-N 3.45Å; H145-N151 PolarHBondContact O-ND2 3.49Å; H145-N151 VanDerWaalsContact O-ND2 3.14Å; V147-N151 PolarHBondContact O-ND2 3.46Å; T149-N151 PolarHBondContact O-N 3.29Å; T149-N151 VanDerWaalsContact O-N 3.08Å; N151-R167 HydrophobicContact CB-CB 3.86Å; N151-R167 PolarHBondContact O-N 2.88Å; N151-R167 VanDerWaalsContact O-N 3.11Å
152	K	94.8	Very high	94	Very high	64 Å²	64	65.8 Å²	65.8	28%	0.278	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.3	177.2	-48	-176.6	-173.1	178.5	0	108.4	P123 L126 D150 Y164 S165 I166	P123-K152 HydrophobicContact CB-CB 4.21Å; P123-K152 HydrophobicContact CG-CB 4.4Å; P123-K152 WeakPolarHBondContact CG-O 3.39Å; L126-K152 HydrophobicContact CD1-CB 3.69Å; L126-K152 HydrophobicContact CD1-CD 3.44Å; L126-K152 VanDerWaalsContact CD1-CD 3.44Å; L126-K152 HydrophobicContact CD1-CG 4.19Å; D150-K152 HydrophobicContact CB-CD 4.49Å; D150-K152 HydrophobicContact CB-CG 4.3Å; D150-K152 PolarHBondContact O-N 3.01Å; D150-K152 IonicContact OD2-NZ 3.33Å; K152-Y164 HydrophobicContact CB-CE2 4.47Å; K152-S165 CarbonylContact C-O 3.57Å; K152-S165 WeakPolarHBondContact CA-O 3.27Å; K152-I166 HydrophobicContact CB-CG2 4.02Å; K152-I166 HydrophobicContact CD-CG2 4.33Å; K152-I166 HydrophobicContact CG-CG2 3.82Å
153	L	94.4	Very high	94.1	Very high	72 Å²	72	65.3 Å²	65.3	38%	0.377	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.5	175	173.8	154.6	0	0	0	107.5	R155 L163 Y164 S165	L153-R155 HydrophobicContact CD2-CB 4.29Å; L153-L163 HydrophobicContact CD2-CD2 4.27Å; L153-L163 HydrophobicContact CD2-CG 4.44Å; L153-Y164 WeakPolarHBondContact O-CA 3.48Å; L153-S165 PolarHBondContact N-O 2.82Å; L153-S165 PolarHBondContact O-N 3.11Å
154	L	95.4	Very high	94.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.7	175.3	178.2	61.8	0	0	0	108.6	L121 L126 I129 V162	L121-L154 HydrophobicContact CB-CB 4.29Å; L121-L154 HydrophobicContact CB-CD2 3.97Å; L121-L154 HydrophobicContact CB-CG 4.17Å; L121-L154 HydrophobicContact CD1-CD2 3.75Å; L121-L154 HydrophobicContact CD1-CG 4.2Å; L121-L154 HydrophobicContact CG-CD2 4.44Å; L121-L154 PolarHBondContact N-O 2.69Å; L126-L154 HydrophobicContact CD2-CB 4.06Å; L126-L154 HydrophobicContact CD2-CD1 4.07Å; L126-L154 HydrophobicContact CD2-CD2 3.87Å; L126-L154 HydrophobicContact CD2-CG 4.22Å; L126-L154 HydrophobicContact CG-CB 4.43Å; L126-L154 HydrophobicContact CG-CD2 4.22Å; I129-L154 HydrophobicContact CD1-CD1 3.48Å; I129-L154 VanDerWaalsContact CD1-CD1 3.48Å; I129-L154 HydrophobicContact CD1-CD2 3.65Å; I129-L154 HydrophobicContact CD1-CG 4.22Å; I129-L154 HydrophobicContact CG1-CD2 4.34Å; L154-V162 HydrophobicContact CD1-CG1 3.51Å
155	R	95.6	Very high	94.3	Very high	74 Å²	74	55.9 Å²	55.9	28%	0.279	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.5	176.2	177.8	176.8	-67.7	177	-4.1	110.5	L119 D120 L153 F157 V162 L163	L119-R155 CarbonylContact O-C 3.59Å; L119-R155 VanDerWaalsContact O-CA 3.28Å; L119-R155 WeakPolarHBondContact O-CA 3.24Å; D120-R155 VanDerWaalsContact CG-NH2 3.29Å; D120-R155 IonicContact OD1-CZ 3.22Å; D120-R155 IonicContact OD1-NE 2.65Å; D120-R155 PolarHBondContact OD1-NE 3.33Å; D120-R155 IonicContact OD1-NH2 2.94Å; D120-R155 PolarHBondContact OD1-NH2 2.72Å; D120-R155 IonicContact OD2-CZ 3.68Å; D120-R155 IonicContact OD2-NE 3.75Å; D120-R155 IonicContact OD2-NH2 2.82Å; D120-R155 PolarHBondContact OD2-NH2 2.93Å; L153-R155 HydrophobicContact CD2-CB 4.29Å; R155-F157 HydrophobicContact CG-CE2 4.1Å; R155-F157 HydrophobicContact CG-CZ 4.14Å; R155-V162 WeakPolarHBondContact O-CA 3.28Å; R155-L163 HydrophobicContact CB-CB 4.29Å; R155-L163 PolarHBondContact N-O 3.42Å; R155-L163 PolarHBondContact O-N 3.18Å
156	I	95.4	Very high	94.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.1	176.2	-53.8	-179	0	0	0	109.3	L109 Y111 S118 L119 L121 V162	L109-I156 HydrophobicContact CB-CG2 4.13Å; L109-I156 HydrophobicContact CD1-CD1 4.12Å; Y111-I156 HydrophobicContact CE1-CG2 4.1Å; Y111-I156 PolarHBondContact OH-O 3.19Å; S118-I156 CarbonylContact C-O 3.56Å; S118-I156 VanDerWaalsContact CA-O 3.32Å; S118-I156 WeakPolarHBondContact CA-O 3.43Å; L119-I156 PolarHBondContact N-O 2.92Å; L119-I156 PolarHBondContact O-N 2.98Å; L121-I156 HydrophobicContact CD1-CD1 3.47Å; L121-I156 VanDerWaalsContact CD1-CD1 3.47Å; L121-I156 HydrophobicContact CD1-CG1 3.93Å; I156-V162 HydrophobicContact CG1-CG2 4.44Å
157	F	96.1	Very high	94.7	Very high	59 Å²	59	52.7 Å²	52.7	26%	0.259	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	155.9	175.7	-65.3	-87.1	0	0	0	111.1	R155 D159 G160 N161 L163	R155-F157 HydrophobicContact CG-CE2 4.1Å; R155-F157 HydrophobicContact CG-CZ 4.14Å; F157-D159 WeakPolarHBondContact CB-OD1 3.43Å; F157-D159 PolarHBondContact O-N 3.45Å; F157-D159 VanDerWaalsContact O-N 3.12Å; F157-G160 PolarHBondContact O-N 2.87Å; F157-N161 HydrophobicContact CB-CB 4.17Å; F157-N161 HydrophobicContact CD2-CB 4.06Å; F157-N161 WeakPolarHBondContact CD2-O 3.39Å; F157-N161 HydrophobicContact CG-CB 4.48Å; F157-N161 PolarHBondContact N-O 3.09Å; F157-L163 HydrophobicContact CE2-CB 4.02Å
158	K	94.4	Very high	95	Very high	78 Å²	78	47.7 Å²	47.7	34%	0.339	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.2	-179.2	-79.2	-170.6	-177.2	-167.1	0	114.6	Y111 Y114 P115 D116 S117 G160	Y111-K158 HydrophobicContact CD2-CG 4.04Å; Y111-K158 HydrophobicContact CE1-CG 4.48Å; Y111-K158 HydrophobicContact CE2-CB 4.42Å; Y111-K158 HydrophobicContact CE2-CD 4.45Å; Y111-K158 HydrophobicContact CE2-CG 3.46Å; Y111-K158 VanDerWaalsContact CE2-CG 3.46Å; Y111-K158 PolarHBondContact N-O 2.91Å; Y111-K158 VanDerWaalsContact N-O 3.09Å; Y114-K158 VanDerWaalsContact O-CE 3.28Å; Y114-K158 WeakPolarHBondContact O-CE 3.33Å; Y114-K158 PolarHBondContact O-NZ 2.93Å; P115-K158 VanDerWaalsContact O-CE 3.31Å; P115-K158 WeakPolarHBondContact O-CE 3.45Å; P115-K158 PolarHBondContact O-NZ 2.79Å; D116-K158 WeakPolarHBondContact O-CE 3.17Å; S117-K158 PolarHBondContact O-N 2.8Å; S117-K158 VanDerWaalsContact O-N 3.13Å; K158-G160 PolarHBondContact O-N 3.11Å
159	D	94.8	Very high	95.3	Very high	92 Å²	92	42.1 Å²	42.1	49%	0.492	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	3.6	-179	61.7	-4	0	0	0	113.9	N105 F157 N161	N105-D159 PolarHBondContact ND2-O 2.87Å; F157-D159 WeakPolarHBondContact CB-OD1 3.43Å; F157-D159 PolarHBondContact O-N 3.45Å; F157-D159 VanDerWaalsContact O-N 3.12Å; D159-N161 VanDerWaalsContact C-N 3.31Å; D159-N161 VanDerWaalsContact CG-ND2 3.26Å; D159-N161 VanDerWaalsContact OD1-CB 3.28Å; D159-N161 WeakPolarHBondContact OD1-CB 3.38Å; D159-N161 PolarHBondContact OD1-N 2.81Å; D159-N161 PolarHBondContact OD1-ND2 3.38Å; D159-N161 PolarHBondContact OD2-ND2 3Å
160	G	94.8	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	82.7	5	-176.9	0	0	0	0	0	113.5	D106 F157 K158	D106-G160 PolarHBondContact N-O 2.79Å; F157-G160 PolarHBondContact O-N 2.87Å; K158-G160 PolarHBondContact O-N 3.11Å
161	N	97.1	Very high	96.1	Very high	32 Å²	32	36.2 Å²	36.2	17%	0.171	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.8	169.7	-74.8	-40.7	0	0	0	110.3	W104 N105 F157 D159	W104-N161 CarbonylContact O-C 3.6Å; W104-N161 WeakPolarHBondContact O-CA 3.32Å; N105-N161 WeakPolarHBondContact CB-OD1 3.45Å; N105-N161 PolarHBondContact ND2-OD1 3.2Å; F157-N161 HydrophobicContact CB-CB 4.17Å; F157-N161 HydrophobicContact CD2-CB 4.06Å; F157-N161 WeakPolarHBondContact CD2-O 3.39Å; F157-N161 HydrophobicContact CG-CB 4.48Å; F157-N161 PolarHBondContact N-O 3.09Å; D159-N161 VanDerWaalsContact C-N 3.31Å; D159-N161 VanDerWaalsContact CG-ND2 3.26Å; D159-N161 VanDerWaalsContact OD1-CB 3.28Å; D159-N161 WeakPolarHBondContact OD1-CB 3.38Å; D159-N161 PolarHBondContact OD1-N 2.81Å; D159-N161 PolarHBondContact OD1-ND2 3.38Å; D159-N161 PolarHBondContact OD2-ND2 3Å
162	V	97.1	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.5	177.5	-174.8	0	0	0	0	108.2	K103 W104 D106 L109 I129 L154 R155 I156	K103-V162 VanDerWaalsContact CA-O 3.29Å; K103-V162 WeakPolarHBondContact CA-O 3.4Å; W104-V162 HydrophobicContact CD2-CB 4.16Å; W104-V162 HydrophobicContact CH2-CB 4.29Å; W104-V162 HydrophobicContact CH2-CG1 3.74Å; W104-V162 HydrophobicContact CZ2-CB 3.8Å; W104-V162 HydrophobicContact CZ2-CG1 3.52Å; W104-V162 HydrophobicContact CZ2-CG2 4.4Å; W104-V162 HydrophobicContact CZ3-CG1 4.38Å; W104-V162 PolarHBondContact N-O 2.81Å; W104-V162 PolarHBondContact O-N 3.13Å; D106-V162 HydrophobicContact CB-CG2 4.45Å; L109-V162 HydrophobicContact CD1-CG2 3.86Å; I129-V162 HydrophobicContact CD1-CG1 4.4Å; L154-V162 HydrophobicContact CD1-CG1 3.51Å; R155-V162 WeakPolarHBondContact O-CA 3.28Å; I156-V162 HydrophobicContact CG1-CG2 4.44Å
163	L	97	Very high	96.4	Very high	39 Å²	39	32.6 Å²	32.6	20%	0.204	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.5	169.2	173.7	69.5	0	0	0	108.4	R101 L153 R155 F157	R101-L163 HydrophobicContact CB-CD1 4.44Å; L153-L163 HydrophobicContact CD2-CD2 4.27Å; L153-L163 HydrophobicContact CD2-CG 4.44Å; R155-L163 HydrophobicContact CB-CB 4.29Å; R155-L163 PolarHBondContact N-O 3.42Å; R155-L163 PolarHBondContact O-N 3.18Å; F157-L163 HydrophobicContact CE2-CB 4.02Å
164	Y	96.9	Very high	96.6	Very high	17 Å²	17	29.2 Å²	29.2	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.7	175	176.6	-131	0	0	0	109.2	R101 Q102 W104 L126 K152 L153 I166	R101-Y164 CarbonylContact C-O 3.59Å; R101-Y164 WeakPolarHBondContact CA-O 3.38Å; Q102-Y164 PolarHBondContact N-O 3.2Å; Q102-Y164 PolarHBondContact O-N 2.83Å; W104-Y164 HydrophobicContact CH2-CG 4.33Å; W104-Y164 HydrophobicContact CZ3-CD1 4.44Å; W104-Y164 HydrophobicContact CZ3-CG 4.4Å; L126-Y164 HydrophobicContact CD1-CD2 4.46Å; L126-Y164 HydrophobicContact CD1-CE2 3.7Å; L126-Y164 HydrophobicContact CD2-CD2 3.61Å; L126-Y164 HydrophobicContact CD2-CE2 3.44Å; L126-Y164 VanDerWaalsContact CD2-CE2 3.44Å; L126-Y164 HydrophobicContact CG-CE2 4.25Å; K152-Y164 HydrophobicContact CB-CE2 4.47Å; L153-Y164 WeakPolarHBondContact O-CA 3.48Å; Y164-I166 HydrophobicContact CD2-CG2 4.13Å; Y164-I166 HydrophobicContact CE1-CD1 4.14Å; Y164-I166 HydrophobicContact CE1-CG2 3.87Å; Y164-I166 HydrophobicContact CE2-CG2 3.32Å; Y164-I166 VanDerWaalsContact OH-CG2 3.23Å; Y164-I166 WeakPolarHBondContact OH-CG2 3.38Å
165	S	97	Very high	96.5	Very high	19 Å²	19	33.9 Å²	33.9	13%	0.133	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.1	178.6	176.6	0	0	0	0	110	L100 K152 L153	L100-S165 CarbonylContact O-C 3.59Å; L100-S165 VanDerWaalsContact O-CA 3.31Å; L100-S165 WeakPolarHBondContact O-CA 3.36Å; K152-S165 CarbonylContact C-O 3.57Å; K152-S165 WeakPolarHBondContact CA-O 3.27Å; L153-S165 PolarHBondContact N-O 2.82Å; L153-S165 PolarHBondContact O-N 3.11Å
166	I	96.6	Very high	96.5	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.056	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145	179.3	56.7	178.4	0	0	0	112.1	F99 L100 F144 K152 Y164 L168	F99-I166 CarbonylContact C-O 3.57Å; F99-I166 WeakPolarHBondContact CA-O 3.34Å; L100-I166 HydrophobicContact CB-CG1 4.05Å; L100-I166 HydrophobicContact CD2-CD1 4.32Å; L100-I166 HydrophobicContact CD2-CG1 4.46Å; L100-I166 PolarHBondContact N-O 2.97Å; L100-I166 PolarHBondContact O-N 2.87Å; F144-I166 HydrophobicContact CE1-CD1 4.48Å; K152-I166 HydrophobicContact CB-CG2 4.02Å; K152-I166 HydrophobicContact CD-CG2 4.33Å; K152-I166 HydrophobicContact CG-CG2 3.82Å; Y164-I166 HydrophobicContact CD2-CG2 4.13Å; Y164-I166 HydrophobicContact CE1-CD1 4.14Å; Y164-I166 HydrophobicContact CE1-CG2 3.87Å; Y164-I166 HydrophobicContact CE2-CG2 3.32Å; Y164-I166 VanDerWaalsContact OH-CG2 3.23Å; Y164-I166 WeakPolarHBondContact OH-CG2 3.38Å; I166-L168 HydrophobicContact CD1-CD1 3.93Å; I166-L168 HydrophobicContact CD1-CD2 4.2Å; I166-L168 HydrophobicContact CD1-CG 4.16Å; I166-L168 HydrophobicContact CG1-CD1 4.25Å; I166-L168 HydrophobicContact CG1-CG 4.22Å
167	R	97	Very high	96.4	Very high	75 Å²	75	34.4 Å²	34.4	28%	0.283	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.9	171.8	-172.2	-175.6	-170.4	-175.5	-3.1	111.1	N97 I98 F99 H145 N151	N97-R167 PolarHBondContact OD1-NE 3.2Å; I98-R167 WeakPolarHBondContact O-CA 3.43Å; F99-R167 HydrophobicContact CD1-CB 3.75Å; F99-R167 HydrophobicContact CD1-CG 3.77Å; F99-R167 HydrophobicContact CE1-CB 3.83Å; F99-R167 HydrophobicContact CE1-CG 3.55Å; H145-R167 HydrophobicContact CB-CG 4.45Å; N151-R167 HydrophobicContact CB-CB 3.86Å; N151-R167 PolarHBondContact O-N 2.88Å; N151-R167 VanDerWaalsContact O-N 3.11Å
168	L	96.9	Very high	96.4	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.4	180	-61	174	0	0	0	110.9	N97 I98 L100 F136 F144 I166 L170	N97-L168 CarbonylContact C-O 3.45Å; N97-L168 WeakPolarHBondContact CA-O 3.29Å; I98-L168 HydrophobicContact CG1-CB 4.12Å; I98-L168 PolarHBondContact N-O 3.01Å; I98-L168 PolarHBondContact O-N 2.56Å; L100-L168 HydrophobicContact CB-CD1 4.43Å; L100-L168 HydrophobicContact CD2-CD1 4.31Å; F136-L168 HydrophobicContact CE2-CD1 3.75Å; F136-L168 HydrophobicContact CZ-CD1 4.19Å; F144-L168 HydrophobicContact CD1-CD2 3.33Å; F144-L168 HydrophobicContact CE1-CD2 3.41Å; F144-L168 VanDerWaalsContact CE1-CD2 3.41Å; F144-L168 HydrophobicContact CG-CD2 4.19Å; F144-L168 HydrophobicContact CZ-CD2 4.3Å; I166-L168 HydrophobicContact CD1-CD1 3.93Å; I166-L168 HydrophobicContact CD1-CD2 4.2Å; I166-L168 HydrophobicContact CD1-CG 4.16Å; I166-L168 HydrophobicContact CG1-CD1 4.25Å; I166-L168 HydrophobicContact CG1-CG 4.22Å; L168-L170 HydrophobicContact CB-CD2 4.22Å; L168-L170 HydrophobicContact CB-CG 4.27Å; L168-L170 HydrophobicContact CD1-CD2 4.49Å
169	T	97.7	Very high	96.3	Very high	19 Å²	19	33 Å²	33	12%	0.117	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.9	158.8	-67.2	0	0	0	0	108.3	R95 V96 N97 A142 N143 H145	R95-T169 HydrophobicContact CG-CG2 3.9Å; V96-T169 CarbonylContact O-C 3.34Å; V96-T169 WeakPolarHBondContact O-CA 3.4Å; N97-T169 PolarHBondContact ND2-OG1 3.5Å; A142-T169 WeakPolarHBondContact CA-O 3.25Å; N143-T169 PolarHBondContact N-O 2.75Å; N143-T169 PolarHBondContact O-N 3.49Å; H145-T169 PolarHBondContact CE1-OG1 3.07Å; H145-T169 PolarHBondContact NE2-N 2.84Å; H145-T169 PolarHBondContact NE2-OG1 2.84Å
170	L	97.8	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.8	-179.4	-54.9	170.6	0	0	0	110	R95 V96 I98 F136 A142 L168 L172 M190	R95-L170 VanDerWaalsContact CA-O 3.32Å; R95-L170 WeakPolarHBondContact CA-O 3.27Å; V96-L170 HydrophobicContact CG1-CB 3.92Å; V96-L170 HydrophobicContact CG1-CD1 4.37Å; V96-L170 PolarHBondContact N-O 3.48Å; V96-L170 PolarHBondContact O-N 2.77Å; I98-L170 HydrophobicContact CD1-CD1 3.65Å; I98-L170 HydrophobicContact CG1-CD1 4.21Å; F136-L170 HydrophobicContact CD1-CD1 3.8Å; F136-L170 HydrophobicContact CD2-CD1 3.96Å; F136-L170 HydrophobicContact CD2-CD2 3.78Å; F136-L170 HydrophobicContact CE1-CD1 3.48Å; F136-L170 VanDerWaalsContact CE1-CD1 3.48Å; F136-L170 HydrophobicContact CE2-CD1 3.68Å; F136-L170 HydrophobicContact CE2-CD2 3.84Å; F136-L170 HydrophobicContact CE2-CG 4.4Å; F136-L170 HydrophobicContact CG-CD1 4.04Å; F136-L170 HydrophobicContact CG-CD2 4.39Å; F136-L170 HydrophobicContact CZ-CD1 3.44Å; F136-L170 VanDerWaalsContact CZ-CD1 3.44Å; F136-L170 HydrophobicContact CZ-CD2 4.46Å; A142-L170 HydrophobicContact CB-CD2 3.53Å; L168-L170 HydrophobicContact CB-CD2 4.22Å; L168-L170 HydrophobicContact CB-CG 4.27Å; L168-L170 HydrophobicContact CD1-CD2 4.49Å; L170-L172 HydrophobicContact CB-CD1 4.37Å; L170-L172 HydrophobicContact CB-CD2 4.16Å; L170-L172 HydrophobicContact CB-CG 3.95Å; L170-L172 HydrophobicContact CD1-CD1 4.34Å; L170-L172 HydrophobicContact CD1-CD2 4.47Å; L170-M190 HydrophobicContact CD1-CE 4.44Å
171	I	98	Very high	96.3	Very high	48 Å²	48	30 Å²	30	25%	0.246	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.3	163.7	-57.6	173.9	0	0	0	105.8	D93 Y94 R95 K140 G141	D93-I171 HydrophobicContact CB-CG2 4Å; Y94-I171 WeakPolarHBondContact O-CA 3.45Å; R95-I171 HydrophobicContact CG-CG1 4.36Å; K140-I171 HydrophobicContact CB-CG2 4.27Å; K140-I171 PolarHBondContact N-O 2.78Å; G141-I171 PolarHBondContact N-O 3.25Å; G141-I171 PolarHBondContact O-N 2.93Å
172	L	98	Very high	96.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138	-173.2	-64	175.3	0	0	0	110.1	D93 Y94 V96 F136 E139 L170 M190	D93-L172 WeakPolarHBondContact CA-O 3.33Å; D93-L172 WeakPolarHBondContact CB-O 3.4Å; Y94-L172 HydrophobicContact CD1-CB 4.16Å; Y94-L172 WeakPolarHBondContact CD1-O 3.38Å; Y94-L172 HydrophobicContact CE1-CB 3.55Å; Y94-L172 HydrophobicContact CE2-CB 4.16Å; Y94-L172 HydrophobicContact CE2-CD1 3.98Å; Y94-L172 PolarHBondContact N-O 3.4Å; Y94-L172 PolarHBondContact O-N 3.31Å; Y94-L172 VanDerWaalsContact OH-CD1 3.25Å; Y94-L172 WeakPolarHBondContact OH-CD1 3.29Å; V96-L172 HydrophobicContact CG1-CD1 3.96Å; F136-L172 HydrophobicContact CB-CD2 4.24Å; E139-L172 HydrophobicContact CB-CD2 4.1Å; L170-L172 HydrophobicContact CB-CD1 4.37Å; L170-L172 HydrophobicContact CB-CD2 4.16Å; L170-L172 HydrophobicContact CB-CG 3.95Å; L170-L172 HydrophobicContact CD1-CD1 4.34Å; L170-L172 HydrophobicContact CD1-CD2 4.47Å; L172-M190 HydrophobicContact CD1-CB 3.88Å; L172-M190 HydrophobicContact CD1-CE 3.55Å; L172-M190 HydrophobicContact CD1-CG 3.66Å; L172-M190 HydrophobicContact CD1-SD 4.37Å
173	S	97.5	Very high	96	Very high	40 Å²	40	28.9 Å²	28.9	28%	0.28	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.4	174.8	-168.7	0	0	0	0	110	N138	N138-S173 PolarHBondContact ND2-O 3.49Å; N138-S173 WeakPolarHBondContact O-CB 3.22Å; N138-S173 PolarHBondContact O-N 2.94Å
174	C	96.8	Very high	95.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	14%	0.143	C	C	.	.			trans	-130.8	98.7	174.5	176.8	0	0	0	0	108.9	M92 Y94 M176 C188	M92-C174 CarbonylContact C-O 3.28Å; M92-C174 PolarHBondContact O-N 3.13Å; Y94-C174 HydrophobicContact CD1-CB 3.59Å; Y94-C174 HydrophobicContact CE1-CB 3.8Å; C174-M176 PolarHBondContact O-N 3.21Å; C174-M176 VanDerWaalsContact O-N 3.08Å; C174-C188 HydrophobicContact CB-CB 3.76Å; C174-C188 WeakPolarHBondContact CB-SG 3.49Å; C174-C188 WeakPolarHBondContact SG-CA 3.33Å; C174-C188 WeakPolarHBondContact SG-CB 3.31Å; C174-C188 CovalentContact SG-SG 2.04Å; C174-C188 PolarHBondContact SG-SG 3.4Å
175	P	95.2	Very high	95.7	Very high	99 Å²	99	27.3 Å²	27.3	64%	0.643	15%	0.146	S	C	*	.			trans	-68	108.2	175.2	27.9	-32	0	0	0	109.5
176	M	94.8	Very high	95.6	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.054	14%	0.141	C	C	.	.			trans	-90.7	141.7	-176.7	-71.8	177	-99.1	0	0	112.2	I87 E89 M92 C174 L178 Q186	I87-M176 HydrophobicContact CG2-CE 4.34Å; I87-M176 HydrophobicContact CG2-SD 4.35Å; E89-M176 HydrophobicContact CB-CE 4.5Å; E89-M176 HydrophobicContact CG-CE 4.44Å; E89-M176 HydrophobicContact CG-SD 4.22Å; M92-M176 HydrophobicContact CB-CE 4.41Å; M92-M176 HydrophobicContact CG-CE 4.5Å; C174-M176 PolarHBondContact O-N 3.21Å; C174-M176 VanDerWaalsContact O-N 3.08Å; M176-L178 HydrophobicContact CB-CD2 4.27Å; M176-L178 HydrophobicContact CB-CG 4.49Å; M176-Q186 VanDerWaalsContact CA-OE1 3.26Å; M176-Q186 HydrophobicContact CB-CG 4.49Å; M176-Q186 VanDerWaalsContact CB-OE1 3.28Å; M176-Q186 HydrophobicContact CG-CB 4.43Å; M176-Q186 HydrophobicContact CG-CG 4.06Å; M176-Q186 HydrophobicContact SD-CG 4.26Å
177	D	94	Very high	95.5	Very high	74 Å²	74	28.1 Å²	28.1	40%	0.396	15%	0.15	S	C	.	.			trans	-98.3	110.6	169.7	-170.2	-3.4	0	0	0	109.8	K179 Q186	D177-K179 WeakPolarHBondContact OD1-CD 3.46Å; D177-K179 VanDerWaalsContact OD1-CG 3.23Å; D177-K179 WeakPolarHBondContact OD1-CG 3.35Å; D177-K179 PolarHBondContact OD1-N 3.12Å; D177-K179 IonicContact OD1-NZ 3.33Å; D177-K179 WeakPolarHBondContact OD2-CE 3.39Å; D177-K179 IonicContact OD2-NZ 2.61Å; D177-K179 PolarHBondContact OD2-NZ 3.17Å; D177-Q186 VanDerWaalsContact N-OE1 3.08Å; D177-Q186 PolarHBondContact O-NE2 3.11Å
178	L	94.9	Very high	95.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.137	C	C	.	.			trans	-100.1	11.1	-173.1	-60.4	177.3	0	0	0	113.4	M176 N180 F181 P311 Y315 K317	M176-L178 HydrophobicContact CB-CD2 4.27Å; M176-L178 HydrophobicContact CB-CG 4.49Å; L178-N180 PolarHBondContact O-N 2.91Å; L178-F181 HydrophobicContact CB-CB 4.25Å; L178-F181 HydrophobicContact CD2-CD2 4.38Å; L178-F181 WeakPolarHBondContact O-CB 3.44Å; L178-F181 PolarHBondContact O-N 2.85Å; L178-P311 HydrophobicContact CD1-CG 3.51Å; L178-Y315 HydrophobicContact CB-CE2 4.31Å; L178-Y315 PolarHBondContact N-OH 3.32Å; L178-Y315 VanDerWaalsContact N-OH 3.07Å; L178-K317 HydrophobicContact CB-CD 4.15Å; L178-K317 WeakPolarHBondContact O-CG 3.33Å
179	K	93.7	Very high	95.5	Very high	106 Å²	106	25.6 Å²	25.6	46%	0.461	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-43.8	-179.8	-75.6	167.9	-163.5	141.8	0	112.6	D177 Y315 K317 A318	D177-K179 WeakPolarHBondContact OD1-CD 3.46Å; D177-K179 VanDerWaalsContact OD1-CG 3.23Å; D177-K179 WeakPolarHBondContact OD1-CG 3.35Å; D177-K179 PolarHBondContact OD1-N 3.12Å; D177-K179 IonicContact OD1-NZ 3.33Å; D177-K179 WeakPolarHBondContact OD2-CE 3.39Å; D177-K179 IonicContact OD2-NZ 2.61Å; D177-K179 PolarHBondContact OD2-NZ 3.17Å; K179-Y315 HydrophobicContact CG-CD2 3.88Å; K179-Y315 HydrophobicContact CG-CE2 3.94Å; K179-K317 CarbonylContact O-C 3.11Å; K179-K317 WeakPolarHBondContact O-CA 3.33Å; K179-A318 PolarHBondContact O-N 3.18Å
180	N	94.3	Very high	95.5	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.16	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	8.7	-176.3	-63.9	-26.2	0	0	0	113.4	L178 M183 D184 I444 D448	L178-N180 PolarHBondContact O-N 2.91Å; N180-M183 CarbonylContact O-C 3.57Å; N180-M183 WeakPolarHBondContact O-CA 3.17Å; N180-M183 PolarHBondContact O-N 2.87Å; N180-D184 HydrophobicContact CB-CB 4.5Å; N180-I444 WeakPolarHBondContact ND2-CG2 3.5Å; N180-D448 PolarHBondContact ND2-OD2 2.93Å
181	F	94.6	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	127.8	-176.5	175.9	-89.1	0	0	0	112.3	L178 Y259 L310 A318 I319	L178-F181 HydrophobicContact CB-CB 4.25Å; L178-F181 HydrophobicContact CD2-CD2 4.38Å; L178-F181 WeakPolarHBondContact O-CB 3.44Å; L178-F181 PolarHBondContact O-N 2.85Å; F181-Y259 HydrophobicContact CE1-CD1 4.5Å; F181-Y259 HydrophobicContact CE1-CE1 4.18Å; F181-Y259 AromaticContact CE2-CE1 3.98Å; F181-Y259 HydrophobicContact CE2-CE1 3.98Å; F181-Y259 AromaticContact CE2-CZ 3.9Å; F181-Y259 HydrophobicContact CZ-CD1 4.06Å; F181-Y259 AromaticContact CZ-CE1 3.35Å; F181-Y259 HydrophobicContact CZ-CE1 3.35Å; F181-Y259 AromaticContact CZ-CZ 3.78Å; F181-L310 HydrophobicContact CD1-CD1 3.9Å; F181-L310 HydrophobicContact CD2-CD2 4.23Å; F181-L310 HydrophobicContact CE1-CD1 3.6Å; F181-L310 HydrophobicContact CE1-CD2 4.22Å; F181-L310 HydrophobicContact CE1-CG 4.42Å; F181-L310 HydrophobicContact CE2-CD2 3.74Å; F181-L310 HydrophobicContact CZ-CD1 3.94Å; F181-L310 HydrophobicContact CZ-CD2 3.71Å; F181-L310 HydrophobicContact CZ-CG 4.28Å; F181-A318 WeakPolarHBondContact O-CB 3.31Å; F181-I319 HydrophobicContact CD1-CB 4.1Å; F181-I319 HydrophobicContact CD1-CG2 3.65Å; F181-I319 HydrophobicContact CE1-CB 4.43Å; F181-I319 HydrophobicContact CE1-CG2 4.08Å; F181-I319 PolarHBondContact O-N 2.95Å; F181-I319 VanDerWaalsContact O-N 3.13Å
182	P	94	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.2	10.8	9.2	35.6	-31.6	0	0	0	115.8	D184 R254 M256 Y259 Y264	P182-D184 VanDerWaalsContact C-N 3.27Å; P182-D184 PolarHBondContact O-N 3.48Å; P182-D184 VanDerWaalsContact O-OD1 3.11Å; P182-R254 WeakPolarHBondContact O-CD 3.49Å; P182-M256 VanDerWaalsContact C-SD 3.54Å; P182-M256 HydrophobicContact CB-SD 3.98Å; P182-M256 HydrophobicContact CG-CE 3.95Å; P182-M256 HydrophobicContact CG-SD 3.77Å; P182-Y259 HydrophobicContact CB-CD1 4Å; P182-Y259 HydrophobicContact CB-CD2 3.59Å; P182-Y259 HydrophobicContact CB-CE1 4.32Å; P182-Y259 HydrophobicContact CB-CE2 3.92Å; P182-Y259 HydrophobicContact CB-CG 3.63Å; P182-Y259 HydrophobicContact CG-CD1 4.3Å; P182-Y259 HydrophobicContact CG-CD2 4.19Å; P182-Y259 HydrophobicContact CG-CG 3.83Å; P182-Y264 WeakPolarHBondContact CD-OH 3.47Å; P182-Y264 HydrophobicContact CG-CE2 4.03Å
183	M	93.5	Very high	95.4	Very high	8 Å²	8	24 Å²	24	4%	0.039	13%	0.133	C	C	.	.	S	Bend	trans	-92.9	48.8	178.9	-66.8	172.2	-79.8	0	0	111.4	N180 M256 Y437 W438 Y441	N180-M183 CarbonylContact O-C 3.57Å; N180-M183 WeakPolarHBondContact O-CA 3.17Å; N180-M183 PolarHBondContact O-N 2.87Å; M183-M256 HydrophobicContact CB-SD 4.32Å; M183-M256 HydrophobicContact CG-CE 3.27Å; M183-M256 HydrophobicContact CG-CG 4.32Å; M183-M256 HydrophobicContact CG-SD 3.39Å; M183-M256 WeakPolarHBondContact CG-SD 3.19Å; M183-M256 HydrophobicContact SD-CE 3.89Å; M183-Y437 HydrophobicContact CE-CE1 3.94Å; M183-W438 HydrophobicContact CE-CZ3 4.3Å; M183-W438 HydrophobicContact SD-CE3 4.14Å; M183-W438 HydrophobicContact SD-CZ3 3.84Å; M183-Y441 HydrophobicContact CE-CD1 4.23Å; M183-Y441 HydrophobicContact CE-CD2 3.91Å; M183-Y441 HydrophobicContact CE-CG 3.54Å; M183-Y441 VanDerWaalsContact SD-CB 3.57Å; M183-Y441 HydrophobicContact SD-CG 4.47Å
184	D	93.8	Very high	95.4	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	12%	0.12	C	C	.	.			trans	-108.4	151.3	-173.3	55.4	-38	0	0	0	112.7	N180 P182 Q186 R254	N180-D184 HydrophobicContact CB-CB 4.5Å; P182-D184 VanDerWaalsContact C-N 3.27Å; P182-D184 PolarHBondContact O-N 3.48Å; P182-D184 VanDerWaalsContact O-OD1 3.11Å; D184-Q186 PolarHBondContact OD2-NE2 2.79Å; D184-R254 PolarHBondContact O-N 3.23Å; D184-R254 WeakPolarHBondContact OD1-CB 3.24Å; D184-R254 VanDerWaalsContact OD1-CD 3.28Å; D184-R254 WeakPolarHBondContact OD1-CD 3.35Å; D184-R254 IonicContact OD1-CZ 2.8Å; D184-R254 IonicContact OD1-NE 3.39Å; D184-R254 PolarHBondContact OD1-NE 3.28Å; D184-R254 IonicContact OD1-NH2 2.67Å; D184-R254 IonicContact OD2-CZ 2.72Å; D184-R254 IonicContact OD2-NE 2.75Å; D184-R254 PolarHBondContact OD2-NE 3.29Å; D184-R254 IonicContact OD2-NH2 3.74Å; D184-R254 PolarHBondContact OD2-NH2 3.07Å
185	V	93.7	Very high	95.3	Very high	19 Å²	19	29.4 Å²	29.4	12%	0.115	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119	165.9	-179	0	0	0	0	107.3	E253 V449	V185-E253 HydrophobicContact CG2-CB 4.48Å; V185-E253 HydrophobicContact CG2-CG 4.35Å; V185-V449 HydrophobicContact CG2-CG2 3.88Å
186	Q	94.8	Very high	95.3	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.028	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.6	179.9	-60.8	-57.4	-27.3	0	0	110.3	M176 D177 D184 F223 H251 L252	M176-Q186 VanDerWaalsContact CA-OE1 3.26Å; M176-Q186 HydrophobicContact CB-CG 4.49Å; M176-Q186 VanDerWaalsContact CB-OE1 3.28Å; M176-Q186 HydrophobicContact CG-CB 4.43Å; M176-Q186 HydrophobicContact CG-CG 4.06Å; M176-Q186 HydrophobicContact SD-CG 4.26Å; D177-Q186 VanDerWaalsContact N-OE1 3.08Å; D177-Q186 PolarHBondContact O-NE2 3.11Å; D184-Q186 PolarHBondContact OD2-NE2 2.79Å; Q186-F223 HydrophobicContact CG-CE1 4.32Å; Q186-H251 CarbonylContact O-C 3.59Å; Q186-H251 WeakPolarHBondContact O-CA 3.28Å; Q186-L252 HydrophobicContact CB-CB 4.4Å; Q186-L252 PolarHBondContact N-O 3.33Å; Q186-L252 PolarHBondContact O-N 2.94Å
187	T	94.9	Very high	95.4	Very high	42 Å²	42	29.2 Å²	29.2	26%	0.258	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.5	174.1	-57.8	0	0	0	0	108.4	K249 F250 H251	T187-K249 HydrophobicContact CG2-CB 3.81Å; T187-K249 HydrophobicContact CG2-CD 4.04Å; T187-K249 HydrophobicContact CG2-CG 4.47Å; T187-F250 WeakPolarHBondContact CA-O 3.39Å; T187-H251 PolarHBondContact OG1-ND1 3.14Å
188	C	96.4	Very high	95.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.2	179.5	-67.9	0	0	0	0	110.5	Y94 C174 F250 L252	Y94-C188 HydrophobicContact CD1-CB 4.06Å; Y94-C188 HydrophobicContact CE1-CB 3.71Å; C174-C188 HydrophobicContact CB-CB 3.76Å; C174-C188 WeakPolarHBondContact CB-SG 3.49Å; C174-C188 WeakPolarHBondContact SG-CA 3.33Å; C174-C188 WeakPolarHBondContact SG-CB 3.31Å; C174-C188 CovalentContact SG-SG 2.04Å; C174-C188 PolarHBondContact SG-SG 3.4Å; C188-F250 PolarHBondContact N-O 3.5Å; C188-F250 WeakPolarHBondContact O-CD2 3.46Å; C188-F250 PolarHBondContact O-N 3.49Å; C188-L252 HydrophobicContact CB-CD1 4.28Å
189	T	96.6	Very high	95.6	Very high	29 Å²	29	29.9 Å²	29.9	18%	0.178	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	152.3	-176.9	60.9	0	0	0	0	111.7	Y94 N138 V248 K249	Y94-T189 PolarHBondContact OH-O 2.93Å; N138-T189 PolarHBondContact ND2-O 3.06Å; T189-V248 CarbonylContact C-O 3.55Å; T189-V248 WeakPolarHBondContact CA-O 3.08Å; T189-K249 HydrophobicContact CG2-CB 4.37Å; T189-K249 HydrophobicContact CG2-CD 4.19Å; T189-K249 HydrophobicContact CG2-CG 3.88Å
190	M	97.5	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.1	166.3	176.6	-170.9	-66.8	0	0	107.4	I79 V96 I98 F136 L170 L172 L192 E247 V248 F250	I79-M190 HydrophobicContact CD1-SD 3.72Å; V96-M190 HydrophobicContact CG1-CE 3.67Å; V96-M190 HydrophobicContact CG2-CE 4.44Å; I98-M190 HydrophobicContact CD1-CE 4.49Å; I98-M190 HydrophobicContact CD1-SD 4.36Å; I98-M190 HydrophobicContact CG2-CE 4.18Å; F136-M190 HydrophobicContact CD1-CG 3.92Å; F136-M190 HydrophobicContact CD1-SD 4.45Å; F136-M190 HydrophobicContact CE1-CG 3.94Å; F136-M190 HydrophobicContact CE1-SD 3.89Å; L170-M190 HydrophobicContact CD1-CE 4.44Å; L172-M190 HydrophobicContact CD1-CB 3.88Å; L172-M190 HydrophobicContact CD1-CE 3.55Å; L172-M190 HydrophobicContact CD1-CG 3.66Å; L172-M190 HydrophobicContact CD1-SD 4.37Å; M190-L192 HydrophobicContact CG-CD1 3.86Å; M190-L192 HydrophobicContact SD-CD1 4.19Å; M190-E247 VanDerWaalsContact O-CA 3.25Å; M190-E247 WeakPolarHBondContact O-CA 3.39Å; M190-V248 HydrophobicContact CB-CG1 3.84Å; M190-V248 PolarHBondContact N-O 3.16Å; M190-V248 PolarHBondContact O-N 2.76Å; M190-V248 HydrophobicContact SD-CG1 4.44Å; M190-F250 HydrophobicContact CB-CE2 4.03Å; M190-F250 HydrophobicContact CE-CE2 4.19Å; M190-F250 HydrophobicContact CE-CZ 4.46Å
191	Q	97.6	Very high	95.9	Very high	31 Å²	31	32.1 Å²	32.1	15%	0.145	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	-174.8	-64.3	-176.7	-24.3	0	0	109.4	F136 A137 N138 E247	F136-Q191 CarbonylContact C-O 3.58Å; F136-Q191 WeakPolarHBondContact CA-O 3.41Å; A137-Q191 HydrophobicContact CB-CB 4.01Å; A137-Q191 PolarHBondContact N-O 2.61Å; N138-Q191 PolarHBondContact OD1-N 3.17Å; Q191-E247 HydrophobicContact CG-CB 3.91Å; Q191-E247 PolarHBondContact NE2-OE2 3.49Å
192	L	97.9	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.7	178.8	-63.6	76	0	0	0	107.8	I79 L100 L134 F136 M190 W206 C245 I246	I79-L192 HydrophobicContact CD1-CD1 4.12Å; I79-L192 HydrophobicContact CD1-CD2 4.07Å; L100-L192 HydrophobicContact CD1-CD2 3.73Å; L134-L192 HydrophobicContact CD1-CB 4.16Å; L134-L192 HydrophobicContact CD1-CD2 3.84Å; L134-L192 HydrophobicContact CD2-CB 4.14Å; L134-L192 HydrophobicContact CD2-CD2 4.01Å; L134-L192 HydrophobicContact CD2-CG 4.16Å; L134-L192 HydrophobicContact CG-CB 4.23Å; L134-L192 HydrophobicContact CG-CD2 4.44Å; F136-L192 HydrophobicContact CD1-CD1 4.28Å; F136-L192 HydrophobicContact CD1-CG 3.98Å; F136-L192 HydrophobicContact CE1-CD1 3.98Å; F136-L192 HydrophobicContact CE1-CD2 4.04Å; F136-L192 HydrophobicContact CE1-CG 3.63Å; F136-L192 HydrophobicContact CZ-CD2 4.37Å; F136-L192 HydrophobicContact CZ-CG 4.33Å; M190-L192 HydrophobicContact CG-CD1 3.86Å; M190-L192 HydrophobicContact SD-CD1 4.19Å; L192-W206 HydrophobicContact CD1-CH2 4.11Å; L192-C245 VanDerWaalsContact O-CA 3.27Å; L192-C245 WeakPolarHBondContact O-CA 3.23Å; L192-I246 HydrophobicContact CB-CG1 3.94Å; L192-I246 PolarHBondContact N-O 2.98Å; L192-I246 PolarHBondContact O-N 2.87Å
193	E	97.3	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.5	-171.2	-174.2	173.4	-172	0	0	111.2	F135 A137 K236 Y238 F243 T244 C245	F135-E193 HydrophobicContact CD1-CB 4.24Å; F135-E193 WeakPolarHBondContact CD1-O 3.43Å; F135-E193 HydrophobicContact CE1-CB 3.61Å; F135-E193 HydrophobicContact CE1-CG 3.67Å; F135-E193 HydrophobicContact CZ-CB 3.84Å; F135-E193 HydrophobicContact CZ-CG 3.91Å; F135-E193 PolarHBondContact N-O 2.84Å; F135-E193 PolarHBondContact O-N 2.96Å; A137-E193 HydrophobicContact CB-CB 4.39Å; E193-K236 VanDerWaalsContact OE1-CB 3.23Å; E193-K236 WeakPolarHBondContact OE1-CB 3.25Å; E193-K236 VanDerWaalsContact OE1-CG 3.24Å; E193-K236 WeakPolarHBondContact OE1-CG 3.42Å; E193-Y238 VanDerWaalsContact OE1-CE2 3.24Å; E193-Y238 WeakPolarHBondContact OE1-CE2 3.35Å; E193-Y238 PolarHBondContact OE2-OH 2.95Å; E193-F243 HydrophobicContact CG-CB 4.38Å; E193-T244 WeakPolarHBondContact CA-O 3.35Å; E193-T244 WeakPolarHBondContact CG-O 3.32Å; E193-C245 HydrophobicContact CB-CB 4.33Å; E193-C245 HydrophobicContact CG-CB 4.26Å
194	S	97.3	Very high	96.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.2	173.3	168.1	0	0	0	0	109.6	D133 Y197 F243 T244	D133-S194 PolarHBondContact OD1-OG 3.46Å; S194-Y197 PolarHBondContact OG-N 3.22Å; S194-Y197 PolarHBondContact OG-O 3.22Å; S194-F243 WeakPolarHBondContact O-CD1 3.49Å; S194-T244 PolarHBondContact N-O 2.91Å
195	F	95.4	Very high	96.6	Very high	154 Å²	154	36.8 Å²	36.8	68%	0.675	20%	0.198	S	C	*	.	S	Bend	trans	-84.2	-48.8	-175.7	-169.3	-93	0	0	0	113.2	D133 F135 F243	D133-F195 PolarHBondContact O-N 2.83Å; F135-F195 HydrophobicContact CD1-CB 3.68Å; F135-F195 HydrophobicContact CD1-CD2 4.06Å; F135-F195 HydrophobicContact CD1-CG 4.39Å; F135-F195 HydrophobicContact CE1-CB 3.91Å; F135-F195 AromaticContact CE1-CD2 3.96Å; F135-F195 HydrophobicContact CE1-CD2 3.96Å; F135-F195 HydrophobicContact CE1-CG 4.44Å; F135-F195 HydrophobicContact CG-CD2 4.4Å; F135-F195 HydrophobicContact CZ-CD2 4.23Å; F195-F243 WeakPolarHBondContact O-CE1 3.45Å
196	G	94.5	Very high	96.8	Very high	52 Å²	52	36.9 Å²	36.9	54%	0.536	20%	0.196	S	C	.	.	S	Bend	trans	-106.8	-28.7	-170.7	0	0	0	0	0	114.2	D133	D133-G196 VanDerWaalsContact OD2-CA 3.28Å; D133-G196 WeakPolarHBondContact OD2-CA 3.48Å; D133-G196 PolarHBondContact OD2-N 2.91Å
197	Y	96.7	Very high	96.8	Very high	55 Å²	55	39.9 Å²	39.9	22%	0.216	21%	0.212	C	C	.	.			trans	-94	130	-180	-62.7	-77.5	0	0	0	112.4	R65 W130 D133 S194 D201 L202 F243	R65-Y197 HydrophobicContact CB-CE1 4.22Å; R65-Y197 HydrophobicContact CG-CE1 4.43Å; W130-Y197 HydrophobicContact CZ2-CE2 4.02Å; W130-Y197 AromaticContact NE1-CZ 3.78Å; W130-Y197 PolarHBondContact NE1-OH 3.27Å; W130-Y197 VanDerWaalsContact NE1-OH 3.11Å; D133-Y197 VanDerWaalsContact OD1-CD2 3.29Å; D133-Y197 WeakPolarHBondContact OD1-CD2 3.4Å; D133-Y197 WeakPolarHBondContact OD2-CD2 3.36Å; D133-Y197 PolarHBondContact OD2-N 2.92Å; S194-Y197 PolarHBondContact OG-N 3.22Å; S194-Y197 PolarHBondContact OG-O 3.22Å; Y197-D201 HydrophobicContact CD1-CB 3.93Å; Y197-D201 HydrophobicContact CG-CB 4.47Å; Y197-L202 HydrophobicContact CD2-CD1 3.88Å; Y197-L202 HydrophobicContact CG-CB 4.27Å; Y197-L202 HydrophobicContact CG-CD1 4.27Å; Y197-F243 VanDerWaalsContact O-CD1 3.28Å; Y197-F243 WeakPolarHBondContact O-CD1 3.43Å
198	T	97.3	Very high	96.6	Very high	33 Å²	33	46.9 Å²	46.9	20%	0.202	24%	0.242	C	C	.	.			trans	-75.6	168.1	172.8	71	0	0	0	0	111.6	N200 D201 L202 K242 F243	T198-N200 PolarHBondContact O-N 3.44Å; T198-N200 PolarHBondContact OG1-N 3.46Å; T198-D201 PolarHBondContact O-N 3.14Å; T198-L202 PolarHBondContact O-N 3.41Å; T198-K242 CarbonylContact C-O 3.51Å; T198-K242 WeakPolarHBondContact CA-O 3.2Å; T198-K242 WeakPolarHBondContact CB-O 3.25Å; T198-F243 HydrophobicContact CG2-CE1 4.35Å; T198-F243 HydrophobicContact CG2-CZ 4.31Å
199	M	96.4	Very high	96.3	Very high	55 Å²	55	53.1 Å²	53.1	27%	0.271	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-22.6	174.8	-74.1	-72.8	-63	0	0	114.6	D201 I203 T235 K242 T244	M199-D201 VanDerWaalsContact C-N 3.29Å; M199-I203 HydrophobicContact CE-CG1 4.42Å; M199-T235 HydrophobicContact CG-CG2 4.34Å; M199-T235 HydrophobicContact SD-CG2 4.36Å; M199-K242 HydrophobicContact CG-CB 4.15Å; M199-K242 PolarHBondContact N-O 2.86Å; M199-T244 WeakPolarHBondContact SD-CA 3.42Å; M199-T244 WeakPolarHBondContact SD-CB 3.4Å
200	N	96.3	Very high	95.9	Very high	129 Å²	129	53.7 Å²	53.7	69%	0.69	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.5	178	-63.6	-25.9	0	0	0	112.7	T198	T198-N200 PolarHBondContact O-N 3.44Å; T198-N200 PolarHBondContact OG1-N 3.46Å
201	D	97.1	Very high	95.7	Very high	54 Å²	54	53.9 Å²	53.9	29%	0.289	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-31	-174.4	-71.9	-54.1	0	0	0	113	R65 P72 V73 Y197 T198 M199	R65-D201 IonicContact CZ-OD1 3.29Å; R65-D201 VanDerWaalsContact CZ-OD1 3.23Å; R65-D201 IonicContact NE-OD1 3.95Å; R65-D201 PolarHBondContact NE-OD1 2.96Å; R65-D201 IonicContact NH2-OD1 3.79Å; R65-D201 PolarHBondContact NH2-OD1 3.08Å; P72-D201 CarbonylContact C-O 3.5Å; P72-D201 WeakPolarHBondContact CA-O 3.34Å; V73-D201 PolarHBondContact N-O 3.04Å; Y197-D201 HydrophobicContact CD1-CB 3.93Å; Y197-D201 HydrophobicContact CG-CB 4.47Å; T198-D201 PolarHBondContact O-N 3.14Å; M199-D201 VanDerWaalsContact C-N 3.29Å
202	L	97.8	Very high	95.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.6	-175.7	-165.6	153.6	0	0	0	110.9	V75 W130 P132 Y197 T198 F204 T244	V75-L202 HydrophobicContact CG2-CD2 4.39Å; V75-L202 HydrophobicContact CG2-CG 4.3Å; W130-L202 HydrophobicContact CH2-CD1 3.9Å; W130-L202 HydrophobicContact CZ2-CD1 4.06Å; P132-L202 HydrophobicContact CB-CD1 3.98Å; Y197-L202 HydrophobicContact CD2-CD1 3.88Å; Y197-L202 HydrophobicContact CG-CB 4.27Å; Y197-L202 HydrophobicContact CG-CD1 4.27Å; T198-L202 PolarHBondContact O-N 3.41Å; L202-F204 HydrophobicContact CD2-CD1 3.84Å; L202-F204 HydrophobicContact CD2-CD2 4.36Å; L202-F204 HydrophobicContact CD2-CE1 3.5Å; L202-F204 VanDerWaalsContact CD2-CE1 3.5Å; L202-F204 HydrophobicContact CD2-CE2 4.07Å; L202-F204 HydrophobicContact CD2-CG 4.22Å; L202-F204 HydrophobicContact CD2-CZ 3.6Å; L202-T244 HydrophobicContact CD2-CG2 3.7Å; L202-T244 WeakPolarHBondContact O-CG2 3.44Å
203	I	98.1	Very high	95.5	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.195	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130	178.2	-60.9	174.8	0	0	0	108.8	P72 V73 V75 M199 E205	P72-I203 HydrophobicContact CB-CD1 3.93Å; P72-I203 HydrophobicContact CB-CG1 3.97Å; P72-I203 HydrophobicContact CG-CD1 3.6Å; P72-I203 HydrophobicContact CG-CG1 4.22Å; V73-I203 PolarHBondContact O-N 3.12Å; V75-I203 PolarHBondContact N-O 3.43Å; M199-I203 HydrophobicContact CE-CG1 4.42Å; I203-E205 HydrophobicContact CG2-CG 4.11Å
204	F	98.3	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.8	172.8	-71	-43.9	0	0	0	110.6	V75 P132 L134 L202 T244 I246	V75-F204 HydrophobicContact CB-CD1 3.73Å; V75-F204 HydrophobicContact CB-CE1 3.86Å; V75-F204 HydrophobicContact CG1-CD1 4Å; V75-F204 HydrophobicContact CG1-CE1 3.9Å; V75-F204 HydrophobicContact CG2-CE1 4.29Å; V75-F204 WeakPolarHBondContact O-CA 3.37Å; P132-F204 HydrophobicContact CB-CE1 4.36Å; L134-F204 HydrophobicContact CB-CE1 4.48Å; L134-F204 HydrophobicContact CB-CE2 4.36Å; L134-F204 HydrophobicContact CB-CZ 3.79Å; L134-F204 HydrophobicContact CD1-CE1 4.05Å; L134-F204 HydrophobicContact CD1-CE2 4.22Å; L134-F204 HydrophobicContact CD1-CZ 3.89Å; L134-F204 HydrophobicContact CG-CE2 4.15Å; L134-F204 HydrophobicContact CG-CZ 3.97Å; L202-F204 HydrophobicContact CD2-CD1 3.84Å; L202-F204 HydrophobicContact CD2-CD2 4.36Å; L202-F204 HydrophobicContact CD2-CE1 3.5Å; L202-F204 VanDerWaalsContact CD2-CE1 3.5Å; L202-F204 HydrophobicContact CD2-CE2 4.07Å; L202-F204 HydrophobicContact CD2-CG 4.22Å; L202-F204 HydrophobicContact CD2-CZ 3.6Å; F204-T244 HydrophobicContact CB-CG2 4.28Å; F204-T244 HydrophobicContact CD2-CG2 3.51Å; F204-T244 HydrophobicContact CE2-CG2 3.98Å; F204-T244 HydrophobicContact CG-CG2 3.93Å; F204-T244 PolarHBondContact N-OG1 2.89Å; F204-I246 HydrophobicContact CB-CD1 4.03Å; F204-I246 HydrophobicContact CB-CG1 4.07Å; F204-I246 HydrophobicContact CB-CG2 3.9Å; F204-I246 VanDerWaalsContact O-CG2 3.3Å; F204-I246 WeakPolarHBondContact O-CG2 3.21Å
205	E	97.4	Very high	95.2	Very high	72 Å²	72	60.7 Å²	60.7	34%	0.336	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.8	177.8	-64.9	-179.3	158.7	0	0	110.1	V75 T76 C77 I203	V75-E205 PolarHBondContact O-N 2.99Å; T76-E205 CarbonylContact C-O 3.59Å; T76-E205 WeakPolarHBondContact CA-O 3.24Å; C77-E205 PolarHBondContact N-O 2.9Å; I203-E205 HydrophobicContact CG2-CG 4.11Å
206	W	97.3	Very high	95	Very high	20 Å²	20	62.3 Å²	62.3	8%	0.076	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	145.3	170.6	-71.1	115	0	0	0	110.5	C77 I79 L192 E208 A211 V212 L231 G232 I246 E247 V248	C77-W206 HydrophobicContact CB-CE3 4.39Å; C77-W206 HydrophobicContact CB-CZ3 4.43Å; I79-W206 HydrophobicContact CD1-CH2 3.58Å; I79-W206 HydrophobicContact CD1-CZ3 3.72Å; I79-W206 HydrophobicContact CG1-CH2 4.38Å; I79-W206 HydrophobicContact CG1-CZ3 4.01Å; L192-W206 HydrophobicContact CD1-CH2 4.11Å; W206-E208 PolarHBondContact O-N 3.18Å; W206-A211 HydrophobicContact CB-CB 4.01Å; W206-A211 HydrophobicContact CD2-CB 4.32Å; W206-A211 HydrophobicContact CE3-CB 3.96Å; W206-A211 HydrophobicContact CG-CB 4.38Å; W206-V212 HydrophobicContact CZ3-CG2 4.47Å; W206-L231 HydrophobicContact CD2-CD2 4.21Å; W206-L231 HydrophobicContact CG-CD1 4.44Å; W206-L231 HydrophobicContact CG-CD2 4.46Å; W206-G232 PolarHBondContact NE1-O 2.95Å; W206-I246 HydrophobicContact CD2-CD1 3.94Å; W206-I246 HydrophobicContact CE3-CD1 4.11Å; W206-I246 HydrophobicContact CH2-CD1 4.07Å; W206-I246 HydrophobicContact CH2-CG1 4.48Å; W206-I246 HydrophobicContact CZ2-CB 4.07Å; W206-I246 HydrophobicContact CZ2-CD1 3.89Å; W206-I246 HydrophobicContact CZ2-CG1 3.98Å; W206-I246 HydrophobicContact CZ3-CD1 4.18Å; W206-E247 PolarHBondContact NE1-O 2.72Å; W206-V248 HydrophobicContact CH2-CB 4.45Å; W206-V248 HydrophobicContact CH2-CG1 4.34Å; W206-V248 HydrophobicContact CZ2-CB 4.2Å; W206-V248 HydrophobicContact CZ2-CG1 4.45Å
207	L	95.6	Very high	94.7	Very high	70 Å²	70	63.2 Å²	63.2	37%	0.366	35%	0.347	S	S	.	.			trans	-61.5	123.7	167.1	-174.7	69.3	0	0	0	109.7	T76 C77 N78 N209 A211	T76-L207 HydrophobicContact CG2-CB 3.91Å; T76-L207 HydrophobicContact CG2-CD1 3.86Å; C77-L207 PolarHBondContact O-N 3.36Å; N78-L207 HydrophobicContact CB-CB 4.31Å; N78-L207 HydrophobicContact CB-CD2 4.19Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 WeakPolarHBondContact CD2-O 3.23Å; L207-N209 PolarHBondContact O-N 3.21Å; L207-N209 VanDerWaalsContact O-N 3.16Å; L207-A211 WeakPolarHBondContact O-CB 3.18Å; L207-A211 PolarHBondContact O-N 3.3Å
208	E	90.4	Very high	94.5	Very high	188 Å²	188	62.9 Å²	62.9	88%	0.879	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-45.2	-173.9	-65.8	-178.7	170.7	0	0	113.3	W206	W206-E208 PolarHBondContact O-N 3.18Å
209	N	89.7	Confident	94.2	Very high	133 Å²	133	67 Å²	67	71%	0.711	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	122.4	179.8	-68.7	-48	0	0	0	110.6	L207	L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 WeakPolarHBondContact CD2-O 3.23Å; L207-N209 PolarHBondContact O-N 3.21Å; L207-N209 VanDerWaalsContact O-N 3.16Å
210	G	89.1	Confident	94.1	Very high	41 Å²	41	65.3 Å²	65.3	42%	0.423	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	37.7	175.4	0	0	0	0	0	113.7	N78 V212 Q213	N78-G210 PolarHBondContact ND2-O 3.19Å; G210-V212 PolarHBondContact O-N 2.91Å; G210-Q213 PolarHBondContact O-NE2 3.33Å
211	A	93.6	Very high	93.9	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.033	37%	0.369	C	S	.	.	S	Bend	trans	-48.5	-41.3	175.2	0	0	0	0	0	113.1	N78 I79 W206 L207 L231	N78-A211 CarbonylContact C-O 3.6Å; N78-A211 WeakPolarHBondContact CA-O 3.23Å; N78-A211 PolarHBondContact ND2-O 3.22Å; N78-A211 VanDerWaalsContact ND2-O 3.16Å; I79-A211 PolarHBondContact N-O 2.97Å; W206-A211 HydrophobicContact CB-CB 4.01Å; W206-A211 HydrophobicContact CD2-CB 4.32Å; W206-A211 HydrophobicContact CE3-CB 3.96Å; W206-A211 HydrophobicContact CG-CB 4.38Å; L207-A211 WeakPolarHBondContact O-CB 3.18Å; L207-A211 PolarHBondContact O-N 3.3Å; A211-L231 HydrophobicContact CB-CD1 3.55Å; A211-L231 HydrophobicContact CB-CD2 4.29Å
212	V	95.3	Very high	93.7	Very high	21 Å²	21	65.9 Å²	65.9	13%	0.127	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114	-179.5	-178.5	0	0	0	0	109.3	I79 I81 W206 G210 L231 V248 F250	I79-V212 WeakPolarHBondContact O-CA 3.24Å; I81-V212 HydrophobicContact CD1-CG1 4.07Å; W206-V212 HydrophobicContact CZ3-CG2 4.47Å; G210-V212 PolarHBondContact O-N 2.91Å; V212-L231 HydrophobicContact CG2-CD2 3.8Å; V212-V248 HydrophobicContact CG2-CB 4.39Å; V212-V248 HydrophobicContact CG2-CG2 4.06Å; V212-F250 HydrophobicContact CG1-CE1 4.26Å
213	Q	95	Very high	93.5	Very high	72 Å²	72	66 Å²	66	34%	0.336	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.8	177.1	-66.9	163.9	23.7	0	0	109	N78 I79 F80 I81 G210	N78-Q213 PolarHBondContact ND2-NE2 3.06Å; I79-Q213 PolarHBondContact O-N 3.18Å; F80-Q213 CarbonylContact C-O 3.6Å; F80-Q213 WeakPolarHBondContact CA-O 3.43Å; F80-Q213 HydrophobicContact CB-CB 4.46Å; F80-Q213 HydrophobicContact CD2-CB 3.55Å; F80-Q213 HydrophobicContact CE2-CB 4.24Å; F80-Q213 HydrophobicContact CG-CB 4.41Å; I81-Q213 PolarHBondContact N-O 3.1Å; G210-Q213 PolarHBondContact O-NE2 3.33Å
214	V	95.1	Very high	93.3	Very high	45 Å²	45	68.2 Å²	68.2	27%	0.273	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.7	-179.2	-176.1	0	0	0	0	108.1	I81 E216 L218	I81-V214 HydrophobicContact CD1-CG2 4.3Å; V214-E216 PolarHBondContact O-N 3.41Å; V214-L218 HydrophobicContact CG1-CB 3.88Å; V214-L218 HydrophobicContact CG1-CD2 3.37Å; V214-L218 HydrophobicContact CG1-CG 4.24Å
215	S	93.9	Very high	93.1	Very high	37 Å²	37	70 Å²	70	26%	0.259	39%	0.394	S	S	.	.			trans	-56.8	137.4	175	-175.5	0	0	0	0	111.4	I81 G217 L218	I81-S215 PolarHBondContact O-N 3.01Å; S215-G217 PolarHBondContact O-N 3.05Å; S215-L218 WeakPolarHBondContact O-CB 3.39Å; S215-L218 PolarHBondContact O-N 2.88Å
216	E	90.3	Very high	92.8	Very high	189 Å²	189	68.9 Å²	68.9	88%	0.883	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	135.2	170.4	-65.3	-177.3	-176.5	0	0	109.7	V214 L218	V214-E216 PolarHBondContact O-N 3.41Å; E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 2.8Å
217	G	88.1	Confident	92.3	Very high	70 Å²	70	76.2 Å²	76.2	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	7.7	-178.9	0	0	0	0	0	115.7	S215 T219	S215-G217 PolarHBondContact O-N 3.05Å; G217-T219 PolarHBondContact O-N 3.42Å; G217-T219 VanDerWaalsContact O-N 3.11Å
218	L	92.3	Very high	91.9	Very high	48 Å²	48	81 Å²	81	25%	0.251	44%	0.443	S	S	.	.			trans	-61.7	116.8	172	-177.9	68.7	0	0	0	109.9	I81 F84 V214 S215 E216 M225	I81-L218 HydrophobicContact CG2-CD2 4.03Å; F84-L218 HydrophobicContact CB-CD1 4.41Å; F84-L218 HydrophobicContact CB-CD2 3.9Å; V214-L218 HydrophobicContact CG1-CB 3.88Å; V214-L218 HydrophobicContact CG1-CD2 3.37Å; V214-L218 HydrophobicContact CG1-CG 4.24Å; S215-L218 WeakPolarHBondContact O-CB 3.39Å; S215-L218 PolarHBondContact O-N 2.88Å; E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 2.8Å; L218-M225 HydrophobicContact CD2-CE 4.44Å
219	T	92.1	Very high	91.8	Very high	121 Å²	121	75.1 Å²	75.1	74%	0.742	42%	0.415	S	S	*	.			trans	-128.4	146.6	176.9	52.1	0	0	0	0	110.1	G217	G217-T219 PolarHBondContact O-N 3.42Å; G217-T219 VanDerWaalsContact O-N 3.11Å
220	L	93.9	Very high	91.9	Very high	19 Å²	19	73 Å²	73	10%	0.099	40%	0.401	C	S	.	.			trans	-112.2	136.3	177.8	-67.9	170.2	0	0	0	108.6	F84 Q222 F223 M225 L252	F84-L220 HydrophobicContact CB-CD2 4.17Å; F84-L220 HydrophobicContact CD1-CD1 3.91Å; F84-L220 HydrophobicContact CD1-CD2 3.76Å; F84-L220 HydrophobicContact CD1-CG 4.46Å; F84-L220 HydrophobicContact CE1-CD1 4.37Å; F84-L220 HydrophobicContact CG-CD2 4.43Å; F84-L220 WeakPolarHBondContact O-CD2 3.33Å; L220-Q222 PolarHBondContact O-N 2.05Å; L220-F223 HydrophobicContact CB-CB 4.31Å; L220-F223 WeakPolarHBondContact CB-O 3.32Å; L220-F223 HydrophobicContact CD1-CB 4.15Å; L220-F223 VanDerWaalsContact O-O 3.12Å; L220-M225 HydrophobicContact CD1-CB 4.33Å; L220-M225 HydrophobicContact CD1-CE 4.46Å; L220-L252 HydrophobicContact CD1-CD2 3.99Å
221	P	91.4	Very high	92.2	Very high	115 Å²	115	74.8 Å²	74.8	75%	0.747	40%	0.4	S	S	*	.	S	Bend	trans	-74.2	-26.2	-174.5	27.1	-34.8	0	0	0	113.9	Q255	P221-Q255 PolarHBondContact O-OE1 3.48Å
222	Q	92.6	Very high	92.2	Very high	80 Å²	80	75.4 Å²	75.4	37%	0.374	41%	0.407	S	S	.	.	S	Bend	trans	-115.7	-16.1	-175.6	-71.4	177.1	-33.2	0	0	113.4	L220 Q255	L220-Q222 PolarHBondContact O-N 2.05Å; Q222-Q255 PolarHBondContact O-N 3.04Å
223	F	95	Very high	92.2	Very high	4 Å²	4	81.4 Å²	81.4	2%	0.018	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.6	-172.9	-68.6	-90.9	0	0	0	110.4	I87 Q186 L220 L252 E253 R254	I87-F223 HydrophobicContact CB-CD2 4.49Å; I87-F223 HydrophobicContact CB-CE2 4.1Å; I87-F223 HydrophobicContact CD1-CB 4.32Å; I87-F223 HydrophobicContact CD1-CD2 3.38Å; I87-F223 HydrophobicContact CD1-CE2 3.78Å; I87-F223 HydrophobicContact CD1-CG 3.94Å; I87-F223 HydrophobicContact CG2-CE2 3.9Å; I87-F223 HydrophobicContact CG2-CZ 4.2Å; Q186-F223 HydrophobicContact CG-CE1 4.32Å; L220-F223 HydrophobicContact CB-CB 4.31Å; L220-F223 WeakPolarHBondContact CB-O 3.32Å; L220-F223 HydrophobicContact CD1-CB 4.15Å; L220-F223 VanDerWaalsContact O-O 3.12Å; F223-L252 HydrophobicContact CB-CB 4.38Å; F223-L252 HydrophobicContact CD1-CB 3.87Å; F223-L252 HydrophobicContact CG-CB 4.35Å; F223-E253 CarbonylContact C-O 3.58Å; F223-E253 WeakPolarHBondContact CA-O 3.36Å; F223-R254 HydrophobicContact CD1-CB 4.15Å; F223-R254 HydrophobicContact CE1-CB 3.97Å; F223-R254 HydrophobicContact CE1-CG 4.26Å; F223-R254 VanDerWaalsContact CZ-CZ 3.43Å; F223-R254 VanDerWaalsContact CZ-NH1 3.34Å
224	I	93.8	Very high	92.2	Very high	84 Å²	84	78.7 Å²	78.7	43%	0.431	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.9	167.7	-61	170.2	0	0	0	105.8	E253 Q255	I224-E253 PolarHBondContact N-O 3.02Å; I224-E253 PolarHBondContact O-N 2.86Å; I224-Q255 HydrophobicContact CD1-CG 3.96Å; I224-Q255 HydrophobicContact CG1-CG 3.8Å
225	M	93.1	Very high	92.3	Very high	36 Å²	36	79.2 Å²	79.2	18%	0.177	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.1	173.7	-173.9	-175.3	-64.6	0	0	108.4	F84 L218 L220 F250 L252	F84-M225 HydrophobicContact CB-CE 4.06Å; F84-M225 HydrophobicContact CD1-CE 4.04Å; F84-M225 HydrophobicContact CD2-CE 3.45Å; F84-M225 VanDerWaalsContact CD2-CE 3.45Å; F84-M225 HydrophobicContact CE1-CE 4.33Å; F84-M225 HydrophobicContact CE2-CE 3.78Å; F84-M225 HydrophobicContact CG-CE 3.58Å; F84-M225 HydrophobicContact CZ-CE 4.21Å; L218-M225 HydrophobicContact CD2-CE 4.44Å; L220-M225 HydrophobicContact CD1-CB 4.33Å; L220-M225 HydrophobicContact CD1-CE 4.46Å; M225-F250 HydrophobicContact SD-CD1 4.32Å; M225-L252 HydrophobicContact CB-CD2 4.05Å; M225-L252 HydrophobicContact CE-CD2 4.33Å; M225-L252 HydrophobicContact CG-CD2 4.16Å
226	K	91.6	Very high	92.2	Very high	49 Å²	49	80.3 Å²	80.3	21%	0.213	42%	0.42	C	S	.	.			trans	-64.6	150.5	173.7	-68.4	-168.6	178.4	175.6	0	110.9	H251	K226-H251 HydrophobicContact CB-CB 4.15Å; K226-H251 HydrophobicContact CD-CB 3.84Å; K226-H251 HydrophobicContact CG-CB 4.05Å; K226-H251 PolarHBondContact N-O 2.71Å
227	E	87.4	Confident	92.5	Very high	175 Å²	175	77.3 Å²	77.3	82%	0.818	41%	0.406	S	S	*	.	S	Bend	trans	-71	-32.2	-179.2	-70	-174.6	-179.7	0	0	112.9	K229	E227-K229 VanDerWaalsContact O-CD 3.25Å; E227-K229 WeakPolarHBondContact O-CD 3.41Å; E227-K229 WeakPolarHBondContact O-CE 3.46Å; E227-K229 PolarHBondContact O-NZ 3.32Å
228	E	85.7	Confident	92.8	Very high	169 Å²	169	79.8 Å²	79.8	79%	0.79	39%	0.394	S	S	*	.			trans	-80.3	129.5	177	-65.5	176.9	-177.5	0	0	110
229	K	88.9	Confident	93	Very high	66 Å²	66	86.1 Å²	86.1	29%	0.287	43%	0.429	S	S	.	.			trans	-116.1	123.6	175.1	-63.2	93.5	-165.2	174.9	0	108	E227 L231 V248 F250	E227-K229 VanDerWaalsContact O-CD 3.25Å; E227-K229 WeakPolarHBondContact O-CD 3.41Å; E227-K229 WeakPolarHBondContact O-CE 3.46Å; E227-K229 PolarHBondContact O-NZ 3.32Å; K229-L231 PolarHBondContact O-N 2.83Å; K229-V248 HydrophobicContact CB-CG2 4.09Å; K229-F250 HydrophobicContact CG-CD1 4.39Å
230	E	91.9	Very high	93.1	Very high	88 Å²	88	85.9 Å²	85.9	41%	0.411	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.1	177.1	-163.2	-167.7	149.8	0	0	108.7	V248 K249	E230-V248 WeakPolarHBondContact O-CA 3.24Å; E230-K249 HydrophobicContact CB-CB 4.14Å; E230-K249 HydrophobicContact CB-CG 4.35Å; E230-K249 PolarHBondContact N-O 3.48Å; E230-K249 PolarHBondContact O-N 3.29Å; E230-K249 IonicContact OE1-NZ 3.23Å; E230-K249 PolarHBondContact OE1-NZ 3.08Å; E230-K249 WeakPolarHBondContact OE2-CD 3.47Å; E230-K249 IonicContact OE2-NZ 2.75Å; E230-K249 PolarHBondContact OE2-NZ 3.19Å
231	L	95.1	Very high	93.2	Very high	79 Å²	79	86 Å²	86	41%	0.414	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.3	174.5	-58.1	174.9	0	0	0	108.7	W206 A211 V212 K229 V248	W206-L231 HydrophobicContact CD2-CD2 4.21Å; W206-L231 HydrophobicContact CG-CD1 4.44Å; W206-L231 HydrophobicContact CG-CD2 4.46Å; A211-L231 HydrophobicContact CB-CD1 3.55Å; A211-L231 HydrophobicContact CB-CD2 4.29Å; V212-L231 HydrophobicContact CG2-CD2 3.8Å; K229-L231 PolarHBondContact O-N 2.83Å; L231-V248 HydrophobicContact CD2-CB 4.04Å; L231-V248 HydrophobicContact CD2-CG2 4Å
232	G	93.3	Very high	93.5	Very high	16 Å²	16	86.4 Å²	86.4	17%	0.165	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	170.2	-177.9	0	0	0	0	0	113.1	W206 E247	W206-G232 PolarHBondContact NE1-O 2.95Å; G232-E247 PolarHBondContact N-O 2.77Å; G232-E247 PolarHBondContact O-N 3.33Å
233	Y	95.6	Very high	93.7	Very high	147 Å²	147	83.2 Å²	83.2	58%	0.576	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.7	170	-63.3	-90	0	0	0	108.9	I246	Y233-I246 HydrophobicContact CD1-CG2 3.67Å; Y233-I246 HydrophobicContact CE1-CG2 3.78Å
234	C	95.8	Very high	93.9	Very high	16 Å²	16	83.1 Å²	83.1	11%	0.108	41%	0.408	C	S	.	.			trans	-127.9	33.3	-171.4	48.4	0	0	0	0	112.8	K236 C245 I246 E247	C234-K236 WeakPolarHBondContact O-CD 3.41Å; C234-K236 WeakPolarHBondContact O-CE 3.05Å; C234-K236 PolarHBondContact O-N 3.23Å; C234-C245 VanDerWaalsContact C-CB 3.44Å; C234-C245 HydrophobicContact CB-CB 4.03Å; C234-C245 WeakPolarHBondContact CB-SG 3.15Å; C234-C245 PolarHBondContact N-O 3.19Å; C234-C245 VanDerWaalsContact O-CB 3.23Å; C234-C245 WeakPolarHBondContact O-CB 3.28Å; C234-C245 PolarHBondContact O-SG 2.89Å; C234-C245 WeakPolarHBondContact SG-CB 3.44Å; C234-C245 PolarHBondContact SG-O 2.94Å; C234-C245 CovalentContact SG-SG 2.05Å; C234-C245 PolarHBondContact SG-SG 2.84Å; C234-I246 PolarHBondContact SG-N 3.42Å; C234-E247 HydrophobicContact CB-CB 4.33Å; C234-E247 HydrophobicContact CB-CG 4.04Å
235	T	96	Very high	94.1	Very high	55 Å²	55	79.1 Å²	79.1	34%	0.337	39%	0.388	S	S	.	.			trans	-40.2	121.8	-174.7	-54.7	0	0	0	0	112.3	M199 F243	M199-T235 HydrophobicContact CG-CG2 4.34Å; M199-T235 HydrophobicContact SD-CG2 4.36Å; T235-F243 WeakPolarHBondContact CG2-O 3.15Å
236	K	93.1	Very high	94.3	Very high	60 Å²	60	77.4 Å²	77.4	26%	0.261	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144.7	-177.6	-57.9	-63.3	-177	172.6	0	110.9	E193 C234 Y238 K242 F243 C245	E193-K236 VanDerWaalsContact OE1-CB 3.23Å; E193-K236 WeakPolarHBondContact OE1-CB 3.25Å; E193-K236 VanDerWaalsContact OE1-CG 3.24Å; E193-K236 WeakPolarHBondContact OE1-CG 3.42Å; C234-K236 WeakPolarHBondContact O-CD 3.41Å; C234-K236 WeakPolarHBondContact O-CE 3.05Å; C234-K236 PolarHBondContact O-N 3.23Å; K236-Y238 HydrophobicContact CB-CD2 4.38Å; K236-Y238 HydrophobicContact CB-CE2 3.69Å; K236-Y238 HydrophobicContact CG-CE2 4.45Å; K236-K242 WeakPolarHBondContact O-CA 3.13Å; K236-F243 PolarHBondContact N-O 2.85Å; K236-F243 PolarHBondContact O-N 2.74Å; K236-C245 HydrophobicContact CG-CB 4.37Å
237	H	96.3	Very high	94.5	Very high	127 Å²	127	76.4 Å²	76.4	59%	0.588	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.5	178.6	-68.9	-107.9	0	0	0	108.7	K242	H237-K242 VanDerWaalsContact CE1-CD 3.46Å; H237-K242 WeakPolarHBondContact CE1-CD 3.2Å; H237-K242 WeakPolarHBondContact CE1-CE 3.02Å
238	Y	95	Very high	95	Very high	121 Å²	121	68 Å²	68	48%	0.475	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	168	172.3	-57.4	-65.8	0	0	0	110.1	E193 K236 T240 G241 F243	E193-Y238 VanDerWaalsContact OE1-CE2 3.24Å; E193-Y238 WeakPolarHBondContact OE1-CE2 3.35Å; E193-Y238 PolarHBondContact OE2-OH 2.95Å; K236-Y238 HydrophobicContact CB-CD2 4.38Å; K236-Y238 HydrophobicContact CB-CE2 3.69Å; K236-Y238 HydrophobicContact CG-CE2 4.45Å; Y238-T240 PolarHBondContact O-N 2.91Å; Y238-G241 PolarHBondContact N-O 2.77Å; Y238-G241 PolarHBondContact O-N 3.42Å; Y238-G241 VanDerWaalsContact O-N 3.08Å; Y238-G241 VanDerWaalsContact O-O 3.08Å; Y238-F243 AromaticContact CD2-CD2 3.58Å; Y238-F243 HydrophobicContact CD2-CD2 3.58Å; Y238-F243 AromaticContact CD2-CE2 3.9Å; Y238-F243 HydrophobicContact CD2-CE2 3.9Å; Y238-F243 HydrophobicContact CD2-CG 4.46Å; Y238-F243 HydrophobicContact CE2-CD2 4.23Å
239	N	95.5	Very high	95.5	Very high	182 Å²	182	62.2 Å²	62.2	97%	0.973	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.6	176	-64.9	-3.6	0	0	0	112.4
240	T	94.9	Very high	95.8	Very high	115 Å²	115	59.1 Å²	59.1	71%	0.706	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.8	177.6	48.7	0	0	0	0	113.5	Y238 F243	Y238-T240 PolarHBondContact O-N 2.91Å; T240-F243 WeakPolarHBondContact OG1-CE2 3.32Å
241	G	95.8	Very high	95.9	Very high	23 Å²	23	55.9 Å²	55.9	24%	0.237	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-174.9	-178.5	0	0	0	0	0	114.5	Y238 F243	Y238-G241 PolarHBondContact N-O 2.77Å; Y238-G241 PolarHBondContact O-N 3.42Å; Y238-G241 VanDerWaalsContact O-N 3.08Å; Y238-G241 VanDerWaalsContact O-O 3.08Å; G241-F243 WeakPolarHBondContact O-CD2 3.3Å; G241-F243 WeakPolarHBondContact O-CE2 3.19Å
242	K	97.3	Very high	95.9	Very high	122 Å²	122	52.1 Å²	52.1	53%	0.53	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.8	171.9	-59.3	-173.5	-173.6	-177.2	0	109.4	T198 M199 K236 H237	T198-K242 CarbonylContact C-O 3.51Å; T198-K242 WeakPolarHBondContact CA-O 3.2Å; T198-K242 WeakPolarHBondContact CB-O 3.25Å; M199-K242 HydrophobicContact CG-CB 4.15Å; M199-K242 PolarHBondContact N-O 2.86Å; K236-K242 WeakPolarHBondContact O-CA 3.13Å; H237-K242 VanDerWaalsContact CE1-CD 3.46Å; H237-K242 WeakPolarHBondContact CE1-CD 3.2Å; H237-K242 WeakPolarHBondContact CE1-CE 3.02Å
243	F	97.7	Very high	95.9	Very high	13 Å²	13	53.5 Å²	53.5	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.1	-176	-65.3	-95.8	0	0	0	110.7	E193 S194 F195 Y197 T198 T235 K236 Y238 T240 G241	E193-F243 HydrophobicContact CG-CB 4.38Å; S194-F243 WeakPolarHBondContact O-CD1 3.49Å; F195-F243 WeakPolarHBondContact O-CE1 3.45Å; Y197-F243 VanDerWaalsContact O-CD1 3.28Å; Y197-F243 WeakPolarHBondContact O-CD1 3.43Å; T198-F243 HydrophobicContact CG2-CE1 4.35Å; T198-F243 HydrophobicContact CG2-CZ 4.31Å; T235-F243 WeakPolarHBondContact CG2-O 3.15Å; K236-F243 PolarHBondContact N-O 2.85Å; K236-F243 PolarHBondContact O-N 2.74Å; Y238-F243 AromaticContact CD2-CD2 3.58Å; Y238-F243 HydrophobicContact CD2-CD2 3.58Å; Y238-F243 AromaticContact CD2-CE2 3.9Å; Y238-F243 HydrophobicContact CD2-CE2 3.9Å; Y238-F243 HydrophobicContact CD2-CG 4.46Å; Y238-F243 HydrophobicContact CE2-CD2 4.23Å; T240-F243 WeakPolarHBondContact OG1-CE2 3.32Å; G241-F243 WeakPolarHBondContact O-CD2 3.3Å; G241-F243 WeakPolarHBondContact O-CE2 3.19Å
244	T	97.7	Very high	95.9	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	24%	0.235	C	C	.	.			trans	-69	135.5	177.6	-177.7	0	0	0	0	110.1	E193 S194 M199 L202 F204	E193-T244 WeakPolarHBondContact CA-O 3.35Å; E193-T244 WeakPolarHBondContact CG-O 3.32Å; S194-T244 PolarHBondContact N-O 2.91Å; M199-T244 WeakPolarHBondContact SD-CA 3.42Å; M199-T244 WeakPolarHBondContact SD-CB 3.4Å; L202-T244 HydrophobicContact CD2-CG2 3.7Å; L202-T244 WeakPolarHBondContact O-CG2 3.44Å; F204-T244 HydrophobicContact CB-CG2 4.28Å; F204-T244 HydrophobicContact CD2-CG2 3.51Å; F204-T244 HydrophobicContact CE2-CG2 3.98Å; F204-T244 HydrophobicContact CG-CG2 3.93Å; F204-T244 PolarHBondContact N-OG1 2.89Å
245	C	97.8	Very high	95.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	128.7	178.8	178.8	0	0	0	0	108.7	L192 E193 C234 K236	L192-C245 VanDerWaalsContact O-CA 3.27Å; L192-C245 WeakPolarHBondContact O-CA 3.23Å; E193-C245 HydrophobicContact CB-CB 4.33Å; E193-C245 HydrophobicContact CG-CB 4.26Å; C234-C245 VanDerWaalsContact C-CB 3.44Å; C234-C245 HydrophobicContact CB-CB 4.03Å; C234-C245 WeakPolarHBondContact CB-SG 3.15Å; C234-C245 PolarHBondContact N-O 3.19Å; C234-C245 VanDerWaalsContact O-CB 3.23Å; C234-C245 WeakPolarHBondContact O-CB 3.28Å; C234-C245 PolarHBondContact O-SG 2.89Å; C234-C245 WeakPolarHBondContact SG-CB 3.44Å; C234-C245 PolarHBondContact SG-O 2.94Å; C234-C245 CovalentContact SG-SG 2.05Å; C234-C245 PolarHBondContact SG-SG 2.84Å; K236-C245 HydrophobicContact CG-CB 4.37Å
246	I	97.8	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144	171.4	57.5	172.4	0	0	0	108.9	C77 L192 F204 W206 Y233 C234	C77-I246 HydrophobicContact CB-CD1 3.64Å; L192-I246 HydrophobicContact CB-CG1 3.94Å; L192-I246 PolarHBondContact N-O 2.98Å; L192-I246 PolarHBondContact O-N 2.87Å; F204-I246 HydrophobicContact CB-CD1 4.03Å; F204-I246 HydrophobicContact CB-CG1 4.07Å; F204-I246 HydrophobicContact CB-CG2 3.9Å; F204-I246 VanDerWaalsContact O-CG2 3.3Å; F204-I246 WeakPolarHBondContact O-CG2 3.21Å; W206-I246 HydrophobicContact CD2-CD1 3.94Å; W206-I246 HydrophobicContact CE3-CD1 4.11Å; W206-I246 HydrophobicContact CH2-CD1 4.07Å; W206-I246 HydrophobicContact CH2-CG1 4.48Å; W206-I246 HydrophobicContact CZ2-CB 4.07Å; W206-I246 HydrophobicContact CZ2-CD1 3.89Å; W206-I246 HydrophobicContact CZ2-CG1 3.98Å; W206-I246 HydrophobicContact CZ3-CD1 4.18Å; Y233-I246 HydrophobicContact CD1-CG2 3.67Å; Y233-I246 HydrophobicContact CE1-CG2 3.78Å; C234-I246 PolarHBondContact SG-N 3.42Å
247	E	97.1	Very high	95.7	Very high	27 Å²	27	47.6 Å²	47.6	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.1	179.2	66.7	174.1	-159.5	0	0	112.8	M190 Q191 W206 G232 C234 K249	M190-E247 VanDerWaalsContact O-CA 3.25Å; M190-E247 WeakPolarHBondContact O-CA 3.39Å; Q191-E247 HydrophobicContact CG-CB 3.91Å; Q191-E247 PolarHBondContact NE2-OE2 3.49Å; W206-E247 PolarHBondContact NE1-O 2.72Å; G232-E247 PolarHBondContact N-O 2.77Å; G232-E247 PolarHBondContact O-N 3.33Å; C234-E247 HydrophobicContact CB-CB 4.33Å; C234-E247 HydrophobicContact CB-CG 4.04Å; E247-K249 VanDerWaalsContact OE1-CE 3.27Å; E247-K249 WeakPolarHBondContact OE1-CE 3.48Å
248	V	96.9	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.5	167.1	54.8	0	0	0	0	108.9	T189 M190 W206 V212 K229 E230 L231 F250	T189-V248 CarbonylContact C-O 3.55Å; T189-V248 WeakPolarHBondContact CA-O 3.08Å; M190-V248 HydrophobicContact CB-CG1 3.84Å; M190-V248 PolarHBondContact N-O 3.16Å; M190-V248 PolarHBondContact O-N 2.76Å; M190-V248 HydrophobicContact SD-CG1 4.44Å; W206-V248 HydrophobicContact CH2-CB 4.45Å; W206-V248 HydrophobicContact CH2-CG1 4.34Å; W206-V248 HydrophobicContact CZ2-CB 4.2Å; W206-V248 HydrophobicContact CZ2-CG1 4.45Å; V212-V248 HydrophobicContact CG2-CB 4.39Å; V212-V248 HydrophobicContact CG2-CG2 4.06Å; K229-V248 HydrophobicContact CB-CG2 4.09Å; E230-V248 WeakPolarHBondContact O-CA 3.24Å; L231-V248 HydrophobicContact CD2-CB 4.04Å; L231-V248 HydrophobicContact CD2-CG2 4Å; V248-F250 HydrophobicContact CB-CZ 4.46Å; V248-F250 HydrophobicContact CG1-CE1 4.41Å; V248-F250 HydrophobicContact CG1-CE2 3.83Å; V248-F250 HydrophobicContact CG1-CZ 3.61Å; V248-F250 HydrophobicContact CG2-CD1 4.42Å; V248-F250 HydrophobicContact CG2-CE1 3.91Å; V248-F250 HydrophobicContact CG2-CE2 4.49Å; V248-F250 HydrophobicContact CG2-CZ 3.96Å
249	K	95.9	Very high	95.6	Very high	47 Å²	47	42.1 Å²	42.1	20%	0.204	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.8	173.6	-44.2	-165.7	-167	138.5	0	110.8	T187 T189 E230 E247	T187-K249 HydrophobicContact CG2-CB 3.81Å; T187-K249 HydrophobicContact CG2-CD 4.04Å; T187-K249 HydrophobicContact CG2-CG 4.47Å; T189-K249 HydrophobicContact CG2-CB 4.37Å; T189-K249 HydrophobicContact CG2-CD 4.19Å; T189-K249 HydrophobicContact CG2-CG 3.88Å; E230-K249 HydrophobicContact CB-CB 4.14Å; E230-K249 HydrophobicContact CB-CG 4.35Å; E230-K249 PolarHBondContact N-O 3.48Å; E230-K249 PolarHBondContact O-N 3.29Å; E230-K249 IonicContact OE1-NZ 3.23Å; E230-K249 PolarHBondContact OE1-NZ 3.08Å; E230-K249 WeakPolarHBondContact OE2-CD 3.47Å; E230-K249 IonicContact OE2-NZ 2.75Å; E230-K249 PolarHBondContact OE2-NZ 3.19Å; E247-K249 VanDerWaalsContact OE1-CE 3.27Å; E247-K249 WeakPolarHBondContact OE1-CE 3.48Å
250	F	95.5	Very high	95.6	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.2	175	-56.1	-70.4	0	0	0	109.5	I81 F84 T187 C188 M190 V212 M225 K229 V248	I81-F250 HydrophobicContact CD1-CD1 4.42Å; I81-F250 HydrophobicContact CD1-CE1 3.47Å; I81-F250 VanDerWaalsContact CD1-CE1 3.47Å; I81-F250 HydrophobicContact CD1-CZ 3.69Å; F84-F250 HydrophobicContact CE2-CD2 4.04Å; F84-F250 HydrophobicContact CE2-CE2 4.39Å; F84-F250 HydrophobicContact CE2-CG 4.15Å; T187-F250 WeakPolarHBondContact CA-O 3.39Å; C188-F250 PolarHBondContact N-O 3.5Å; C188-F250 WeakPolarHBondContact O-CD2 3.46Å; C188-F250 PolarHBondContact O-N 3.49Å; M190-F250 HydrophobicContact CB-CE2 4.03Å; M190-F250 HydrophobicContact CE-CE2 4.19Å; M190-F250 HydrophobicContact CE-CZ 4.46Å; V212-F250 HydrophobicContact CG1-CE1 4.26Å; M225-F250 HydrophobicContact SD-CD1 4.32Å; K229-F250 HydrophobicContact CG-CD1 4.39Å; V248-F250 HydrophobicContact CB-CZ 4.46Å; V248-F250 HydrophobicContact CG1-CE1 4.41Å; V248-F250 HydrophobicContact CG1-CE2 3.83Å; V248-F250 HydrophobicContact CG1-CZ 3.61Å; V248-F250 HydrophobicContact CG2-CD1 4.42Å; V248-F250 HydrophobicContact CG2-CE1 3.91Å; V248-F250 HydrophobicContact CG2-CE2 4.49Å; V248-F250 HydrophobicContact CG2-CZ 3.96Å
251	H	94.7	Very high	95.6	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.088	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.3	173	-56.2	-76	0	0	0	109.7	Q186 T187 K226 Q452	Q186-H251 CarbonylContact O-C 3.59Å; Q186-H251 WeakPolarHBondContact O-CA 3.28Å; T187-H251 PolarHBondContact OG1-ND1 3.14Å; K226-H251 HydrophobicContact CB-CB 4.15Å; K226-H251 HydrophobicContact CD-CB 3.84Å; K226-H251 HydrophobicContact CG-CB 4.05Å; K226-H251 PolarHBondContact N-O 2.71Å; H251-Q452 PolarHBondContact ND1-OE1 3.39Å
252	L	94.9	Very high	95.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111	-175.4	-58.6	174.4	0	0	0	109.2	F84 I87 Q186 C188 L220 F223 M225	F84-L252 HydrophobicContact CE1-CD1 3.84Å; F84-L252 HydrophobicContact CE1-CD2 3.99Å; F84-L252 HydrophobicContact CZ-CD1 3.97Å; F84-L252 HydrophobicContact CZ-CD2 4.19Å; I87-L252 HydrophobicContact CD1-CD1 3.89Å; Q186-L252 HydrophobicContact CB-CB 4.4Å; Q186-L252 PolarHBondContact N-O 3.33Å; Q186-L252 PolarHBondContact O-N 2.94Å; C188-L252 HydrophobicContact CB-CD1 4.28Å; L220-L252 HydrophobicContact CD1-CD2 3.99Å; F223-L252 HydrophobicContact CB-CB 4.38Å; F223-L252 HydrophobicContact CD1-CB 3.87Å; F223-L252 HydrophobicContact CG-CB 4.35Å; M225-L252 HydrophobicContact CB-CD2 4.05Å; M225-L252 HydrophobicContact CE-CD2 4.33Å; M225-L252 HydrophobicContact CG-CD2 4.16Å
253	E	93.7	Very high	95.3	Very high	44 Å²	44	35.4 Å²	35.4	21%	0.206	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.4	178.9	-179.2	170.3	-170.6	0	0	110.5	V185 F223 I224 R445	V185-E253 HydrophobicContact CG2-CB 4.48Å; V185-E253 HydrophobicContact CG2-CG 4.35Å; F223-E253 CarbonylContact C-O 3.58Å; F223-E253 WeakPolarHBondContact CA-O 3.36Å; I224-E253 PolarHBondContact N-O 3.02Å; I224-E253 PolarHBondContact O-N 2.86Å; E253-R445 IonicContact OE1-CZ 2.79Å; E253-R445 IonicContact OE1-NE 3.44Å; E253-R445 PolarHBondContact OE1-NE 2.93Å; E253-R445 IonicContact OE1-NH2 2.7Å; E253-R445 PolarHBondContact OE1-NH2 3.41Å
254	R	94.9	Very high	95.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136	-178.2	-168.7	179.3	-58.6	-87.4	-1	112	E89 P182 D184 F223 Y259	E89-R254 IonicContact OE1-CZ 2.93Å; E89-R254 IonicContact OE1-NH1 3.07Å; E89-R254 PolarHBondContact OE1-NH1 2.97Å; E89-R254 IonicContact OE1-NH2 3.67Å; P182-R254 WeakPolarHBondContact O-CD 3.49Å; D184-R254 PolarHBondContact O-N 3.23Å; D184-R254 WeakPolarHBondContact OD1-CB 3.24Å; D184-R254 VanDerWaalsContact OD1-CD 3.28Å; D184-R254 WeakPolarHBondContact OD1-CD 3.35Å; D184-R254 IonicContact OD1-CZ 2.8Å; D184-R254 IonicContact OD1-NE 3.39Å; D184-R254 PolarHBondContact OD1-NE 3.28Å; D184-R254 IonicContact OD1-NH2 2.67Å; D184-R254 IonicContact OD2-CZ 2.72Å; D184-R254 IonicContact OD2-NE 2.75Å; D184-R254 PolarHBondContact OD2-NE 3.29Å; D184-R254 IonicContact OD2-NH2 3.74Å; D184-R254 PolarHBondContact OD2-NH2 3.07Å; F223-R254 HydrophobicContact CD1-CB 4.15Å; F223-R254 HydrophobicContact CE1-CB 3.97Å; F223-R254 HydrophobicContact CE1-CG 4.26Å; F223-R254 VanDerWaalsContact CZ-CZ 3.43Å; F223-R254 VanDerWaalsContact CZ-NH1 3.34Å; R254-Y259 VanDerWaalsContact CD-CE2 3.49Å; R254-Y259 HydrophobicContact CG-CE2 3.97Å; R254-Y259 PolarHBondContact NH1-OH 3.49Å
255	Q	94.1	Very high	95.2	Very high	84 Å²	84	38.9 Å²	38.9	39%	0.393	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-80.1	125.1	173.5	-67	-170.2	-27.1	0	0	111.6	P221 Q222 I224	P221-Q255 PolarHBondContact O-OE1 3.48Å; Q222-Q255 PolarHBondContact O-N 3.04Å; I224-Q255 HydrophobicContact CD1-CG 3.96Å; I224-Q255 HydrophobicContact CG1-CG 3.8Å
256	M	93.1	Very high	95.1	Very high	25 Å²	25	41 Å²	41	12%	0.123	21%	0.208	C	C	.	.			trans	-81.3	-20.5	-173.5	-75	-66.5	-70.8	0	0	115.1	P182 M183 Y258 Y259 L260 Y264 W438	P182-M256 VanDerWaalsContact C-SD 3.54Å; P182-M256 HydrophobicContact CB-SD 3.98Å; P182-M256 HydrophobicContact CG-CE 3.95Å; P182-M256 HydrophobicContact CG-SD 3.77Å; M183-M256 HydrophobicContact CB-SD 4.32Å; M183-M256 HydrophobicContact CG-CE 3.27Å; M183-M256 HydrophobicContact CG-CG 4.32Å; M183-M256 HydrophobicContact CG-SD 3.39Å; M183-M256 WeakPolarHBondContact CG-SD 3.19Å; M183-M256 HydrophobicContact SD-CE 3.89Å; M256-Y258 PolarHBondContact O-N 3.02Å; M256-Y259 PolarHBondContact O-N 3.31Å; M256-Y259 VanDerWaalsContact O-N 3.13Å; M256-L260 HydrophobicContact CB-CD1 4.48Å; M256-L260 PolarHBondContact O-N 2.7Å; M256-Y264 HydrophobicContact CE-CE2 4.42Å; M256-W438 HydrophobicContact CE-CH2 4.27Å; M256-W438 HydrophobicContact CE-CZ3 4.02Å
257	G	94.1	Very high	95.1	Very high	43 Å²	43	41 Å²	41	44%	0.443	21%	0.208	S	C	.	.	H	α-helix	trans	-57.2	-43.2	-167.9	0	0	0	0	0	114.1	L260 I261	G257-L260 PolarHBondContact O-N 3.23Å; G257-I261 PolarHBondContact O-N 2.94Å
258	Y	94.3	Very high	95.1	Very high	120 Å²	120	42 Å²	42	47%	0.471	21%	0.214	S	C	.	.	H	α-helix	trans	-59.5	-48.7	176.7	173.2	-93.5	0	0	0	112.3	M256 L260 I261 Q262	M256-Y258 PolarHBondContact O-N 3.02Å; Y258-L260 VanDerWaalsContact C-N 3.34Å; Y258-L260 PolarHBondContact O-N 2.04Å; Y258-I261 PolarHBondContact O-N 3.02Å; Y258-Q262 HydrophobicContact CD2-CG 4.28Å; Y258-Q262 HydrophobicContact CE2-CG 4.04Å; Y258-Q262 WeakPolarHBondContact O-CB 3.5Å; Y258-Q262 PolarHBondContact O-N 2.81Å; Y258-Q262 PolarHBondContact OH-OE1 2.75Å
259	Y	94.5	Very high	95.1	Very high	13 Å²	13	47 Å²	47	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-35.3	-177.1	-60.3	-77.7	0	0	0	111.9	F181 P182 R254 M256 M263 Y264	F181-Y259 HydrophobicContact CE1-CD1 4.5Å; F181-Y259 HydrophobicContact CE1-CE1 4.18Å; F181-Y259 AromaticContact CE2-CE1 3.98Å; F181-Y259 HydrophobicContact CE2-CE1 3.98Å; F181-Y259 AromaticContact CE2-CZ 3.9Å; F181-Y259 HydrophobicContact CZ-CD1 4.06Å; F181-Y259 AromaticContact CZ-CE1 3.35Å; F181-Y259 HydrophobicContact CZ-CE1 3.35Å; F181-Y259 AromaticContact CZ-CZ 3.78Å; P182-Y259 HydrophobicContact CB-CD1 4Å; P182-Y259 HydrophobicContact CB-CD2 3.59Å; P182-Y259 HydrophobicContact CB-CE1 4.32Å; P182-Y259 HydrophobicContact CB-CE2 3.92Å; P182-Y259 HydrophobicContact CB-CG 3.63Å; P182-Y259 HydrophobicContact CG-CD1 4.3Å; P182-Y259 HydrophobicContact CG-CD2 4.19Å; P182-Y259 HydrophobicContact CG-CG 3.83Å; R254-Y259 VanDerWaalsContact CD-CE2 3.49Å; R254-Y259 HydrophobicContact CG-CE2 3.97Å; R254-Y259 PolarHBondContact NH1-OH 3.49Å; M256-Y259 PolarHBondContact O-N 3.31Å; M256-Y259 VanDerWaalsContact O-N 3.13Å; Y259-M263 HydrophobicContact CD1-CE 3.74Å; Y259-M263 HydrophobicContact CD1-SD 3.75Å; Y259-M263 HydrophobicContact CE1-CE 3.95Å; Y259-M263 HydrophobicContact CE1-SD 4.46Å; Y259-M263 WeakPolarHBondContact O-CA 3.17Å; Y259-M263 VanDerWaalsContact O-CB 3.3Å; Y259-M263 WeakPolarHBondContact O-CB 3.45Å; Y259-M263 PolarHBondContact O-N 2.8Å; Y259-Y264 WeakPolarHBondContact O-CD2 3.46Å; Y259-Y264 PolarHBondContact O-N 3Å; Y259-Y264 VanDerWaalsContact O-N 3.1Å
260	L	95.2	Very high	95.1	Very high	64 Å²	64	45.7 Å²	45.7	34%	0.335	24%	0.235	S	C	.	.	I	π-helix	trans	-58.5	-49.5	173.6	-73.5	173.7	0	0	0	111.5	M256 G257 Y258 Y264 I265 W438	M256-L260 HydrophobicContact CB-CD1 4.48Å; M256-L260 PolarHBondContact O-N 2.7Å; G257-L260 PolarHBondContact O-N 3.23Å; Y258-L260 VanDerWaalsContact C-N 3.34Å; Y258-L260 PolarHBondContact O-N 2.04Å; L260-Y264 HydrophobicContact CD2-CD2 4.12Å; L260-Y264 HydrophobicContact CD2-CG 4.31Å; L260-Y264 PolarHBondContact O-N 2.92Å; L260-I265 WeakPolarHBondContact O-CB 3.23Å; L260-I265 WeakPolarHBondContact O-CG1 3.31Å; L260-I265 PolarHBondContact O-N 3.45Å; L260-W438 HydrophobicContact CD2-CH2 3.49Å; L260-W438 VanDerWaalsContact CD2-CH2 3.49Å; L260-W438 HydrophobicContact CD2-CZ2 3.99Å; L260-W438 HydrophobicContact CD2-CZ3 4.37Å
261	I	95.4	Very high	95.2	Very high	118 Å²	118	45.7 Å²	45.7	61%	0.605	24%	0.235	S	C	*	.	I	π-helix	trans	-73.2	-41.4	-175.6	-65.5	168.1	0	0	0	112	G257 Y258 P266	G257-I261 PolarHBondContact O-N 2.94Å; Y258-I261 PolarHBondContact O-N 3.02Å; I261-P266 VanDerWaalsContact O-CD 3.22Å; I261-P266 WeakPolarHBondContact O-CD 3.25Å; I261-P266 WeakPolarHBondContact O-CG 3.27Å
262	Q	92.3	Very high	95.3	Very high	104 Å²	104	48.6 Å²	48.6	49%	0.486	25%	0.25	S	S	.	.	I	π-helix	trans	-90.9	-27.6	-173.2	-65.9	-152.4	7.2	0	0	114.7	Y258	Y258-Q262 HydrophobicContact CD2-CG 4.28Å; Y258-Q262 HydrophobicContact CE2-CG 4.04Å; Y258-Q262 WeakPolarHBondContact O-CB 3.5Å; Y258-Q262 PolarHBondContact O-N 2.81Å; Y258-Q262 PolarHBondContact OH-OE1 2.75Å
263	M	93.4	Very high	95.3	Very high	15 Å²	15	52.8 Å²	52.8	7%	0.074	27%	0.272	C	S	.	.	I	π-helix	trans	-113.3	-57.9	-174	-55.2	-170.9	-177.3	0	0	111.7	Y259 S267 Q302 I319	Y259-M263 HydrophobicContact CD1-CE 3.74Å; Y259-M263 HydrophobicContact CD1-SD 3.75Å; Y259-M263 HydrophobicContact CE1-CE 3.95Å; Y259-M263 HydrophobicContact CE1-SD 4.46Å; Y259-M263 WeakPolarHBondContact O-CA 3.17Å; Y259-M263 VanDerWaalsContact O-CB 3.3Å; Y259-M263 WeakPolarHBondContact O-CB 3.45Å; Y259-M263 PolarHBondContact O-N 2.8Å; M263-S267 WeakPolarHBondContact O-CB 3.25Å; M263-S267 PolarHBondContact O-N 3.03Å; M263-S267 PolarHBondContact O-OG 2.88Å; M263-Q302 PolarHBondContact O-NE2 3.27Å; M263-Q302 VanDerWaalsContact O-NE2 3.1Å; M263-I319 HydrophobicContact CB-CD1 4.46Å; M263-I319 HydrophobicContact SD-CD1 4.31Å; M263-I319 HydrophobicContact SD-CG1 4.44Å
264	Y	96.3	Very high	95.4	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.012	26%	0.263	C	S	.	.	I	π-helix	trans	-70.1	-50.9	-173.2	-70.3	-87.5	0	0	0	112.9	P182 M256 Y259 L260 S267 L268 I319 W322 Y437 W438	P182-Y264 WeakPolarHBondContact CD-OH 3.47Å; P182-Y264 HydrophobicContact CG-CE2 4.03Å; M256-Y264 HydrophobicContact CE-CE2 4.42Å; Y259-Y264 WeakPolarHBondContact O-CD2 3.46Å; Y259-Y264 PolarHBondContact O-N 3Å; Y259-Y264 VanDerWaalsContact O-N 3.1Å; L260-Y264 HydrophobicContact CD2-CD2 4.12Å; L260-Y264 HydrophobicContact CD2-CG 4.31Å; L260-Y264 PolarHBondContact O-N 2.92Å; Y264-S267 WeakPolarHBondContact CA-OG 3.46Å; Y264-S267 PolarHBondContact O-N 3.49Å; Y264-S267 PolarHBondContact O-OG 2.85Å; Y264-L268 WeakPolarHBondContact O-CB 3.4Å; Y264-L268 VanDerWaalsContact O-CG 3.29Å; Y264-L268 WeakPolarHBondContact O-CG 3.34Å; Y264-L268 PolarHBondContact O-N 3.03Å; Y264-I319 HydrophobicContact CE2-CD1 4.37Å; Y264-W322 AromaticContact CD1-CD2 3.57Å; Y264-W322 HydrophobicContact CD1-CD2 3.57Å; Y264-W322 AromaticContact CD1-CE2 3.41Å; Y264-W322 VanDerWaalsContact CD1-CE2 3.41Å; Y264-W322 AromaticContact CD1-CE3 3.98Å; Y264-W322 HydrophobicContact CD1-CE3 3.98Å; Y264-W322 HydrophobicContact CD1-CG 4.01Å; Y264-W322 HydrophobicContact CD1-CH2 4.09Å; Y264-W322 AromaticContact CD1-CZ2 3.72Å; Y264-W322 HydrophobicContact CD1-CZ2 3.72Å; Y264-W322 HydrophobicContact CD1-CZ3 4.22Å; Y264-W322 AromaticContact CD1-NE1 3.73Å; Y264-W322 HydrophobicContact CE1-CB 4.26Å; Y264-W322 AromaticContact CE1-CD2 3.53Å; Y264-W322 HydrophobicContact CE1-CD2 3.53Å; Y264-W322 AromaticContact CE1-CE2 3.9Å; Y264-W322 AromaticContact CE1-CE3 3.84Å; Y264-W322 HydrophobicContact CE1-CE3 3.84Å; Y264-W322 AromaticContact CE1-CG 3.68Å; Y264-W322 HydrophobicContact CE1-CG 3.68Å; Y264-W322 HydrophobicContact CE1-CZ3 4.42Å; Y264-Y437 AromaticContact CE1-CE1 3.75Å; Y264-Y437 HydrophobicContact CE1-CE1 3.75Å; Y264-Y437 PolarHBondContact OH-OH 2.76Å; Y264-W438 AromaticContact CD1-CH2 3.97Å; Y264-W438 HydrophobicContact CD1-CH2 3.97Å; Y264-W438 AromaticContact CD1-CZ2 3.65Å; Y264-W438 HydrophobicContact CD1-CZ2 3.65Å; Y264-W438 HydrophobicContact CD2-CH2 4.29Å; Y264-W438 AromaticContact CE1-CH2 3.91Å; Y264-W438 HydrophobicContact CE1-CH2 3.91Å; Y264-W438 AromaticContact CE1-CZ2 3.88Å; Y264-W438 HydrophobicContact CE1-CZ2 3.88Å; Y264-W438 HydrophobicContact CE2-CH2 4.23Å; Y264-W438 HydrophobicContact CG-CH2 4.18Å; Y264-W438 HydrophobicContact CG-CZ2 4.08Å
265	I	96.8	Very high	95.4	Very high	86 Å²	86	52.5 Å²	52.5	44%	0.441	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-48.2	-178.1	-69.8	171.6	0	0	0	111.9	L260 S267 L268 L269	L260-I265 WeakPolarHBondContact O-CB 3.23Å; L260-I265 WeakPolarHBondContact O-CG1 3.31Å; L260-I265 PolarHBondContact O-N 3.45Å; I265-S267 PolarHBondContact O-N 3.13Å; I265-L268 WeakPolarHBondContact O-CB 3.42Å; I265-L268 PolarHBondContact O-N 3.23Å; I265-L269 HydrophobicContact CG2-CD1 4.12Å; I265-L269 HydrophobicContact CG2-CG 4.49Å; I265-L269 WeakPolarHBondContact O-CG 3.36Å; I265-L269 PolarHBondContact O-N 2.79Å
266	P	97	Very high	95.3	Very high	44 Å²	44	51.6 Å²	51.6	29%	0.286	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-34.8	-179.9	-21.6	34.5	0	0	0	112.9	I261 L269 I270	I261-P266 VanDerWaalsContact O-CD 3.22Å; I261-P266 WeakPolarHBondContact O-CD 3.25Å; I261-P266 WeakPolarHBondContact O-CG 3.27Å; P266-L269 PolarHBondContact O-N 2.68Å; P266-I270 VanDerWaalsContact O-CG1 3.3Å; P266-I270 WeakPolarHBondContact O-CG1 3.46Å; P266-I270 PolarHBondContact O-N 3.44Å
267	S	97	Very high	95.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-39.2	175.6	53.2	0	0	0	0	112.1	M263 Y264 I265 L269 I270 V271 W322	M263-S267 WeakPolarHBondContact O-CB 3.25Å; M263-S267 PolarHBondContact O-N 3.03Å; M263-S267 PolarHBondContact O-OG 2.88Å; Y264-S267 WeakPolarHBondContact CA-OG 3.46Å; Y264-S267 PolarHBondContact O-N 3.49Å; Y264-S267 PolarHBondContact O-OG 2.85Å; I265-S267 PolarHBondContact O-N 3.13Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.27Å; S267-I270 PolarHBondContact O-N 3.18Å; S267-V271 WeakPolarHBondContact O-CG2 3.3Å; S267-V271 PolarHBondContact O-N 2.7Å; S267-W322 PolarHBondContact OG-NE1 2.88Å
268	L	96.8	Very high	95.2	Very high	48 Å²	48	48.6 Å²	48.6	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-47.7	169.6	-74.8	172.2	0	0	0	111.4	Y264 I265 I270 V271 I272 W322 F430	Y264-L268 WeakPolarHBondContact O-CB 3.4Å; Y264-L268 VanDerWaalsContact O-CG 3.29Å; Y264-L268 WeakPolarHBondContact O-CG 3.34Å; Y264-L268 PolarHBondContact O-N 3.03Å; I265-L268 WeakPolarHBondContact O-CB 3.42Å; I265-L268 PolarHBondContact O-N 3.23Å; L268-I270 VanDerWaalsContact C-N 3.33Å; L268-I270 PolarHBondContact O-N 2.81Å; L268-V271 PolarHBondContact O-N 3.24Å; L268-I272 VanDerWaalsContact O-CG1 3.31Å; L268-I272 WeakPolarHBondContact O-CG1 3.35Å; L268-I272 PolarHBondContact O-N 3.3Å; L268-W322 HydrophobicContact CD2-CH2 3.65Å; L268-W322 HydrophobicContact CD2-CZ2 3.75Å; L268-W322 HydrophobicContact CG-CH2 4.11Å; L268-W322 HydrophobicContact CG-CZ2 3.82Å; L268-F430 HydrophobicContact CD2-CE1 3.41Å; L268-F430 VanDerWaalsContact CD2-CE1 3.41Å; L268-F430 HydrophobicContact CD2-CZ 3.7Å
269	L	96.7	Very high	95	Very high	105 Å²	105	51.2 Å²	51.2	55%	0.55	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-37.5	-179.8	-69	174.2	0	0	0	112.3	I265 P266 S267 I272 L273	I265-L269 HydrophobicContact CG2-CD1 4.12Å; I265-L269 HydrophobicContact CG2-CG 4.49Å; I265-L269 WeakPolarHBondContact O-CG 3.36Å; I265-L269 PolarHBondContact O-N 2.79Å; P266-L269 PolarHBondContact O-N 2.68Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.27Å; L269-I272 PolarHBondContact O-N 3.27Å; L269-L273 VanDerWaalsContact O-CB 3.29Å; L269-L273 WeakPolarHBondContact O-CB 3.24Å; L269-L273 PolarHBondContact O-N 3.4Å
270	I	97.3	Very high	94.8	Very high	21 Å²	21	52.8 Å²	52.8	11%	0.108	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-42.6	175	-67.7	161.4	0	0	0	111	P266 S267 L268 L273 S274 T295 T298 M299 V330	P266-I270 VanDerWaalsContact O-CG1 3.3Å; P266-I270 WeakPolarHBondContact O-CG1 3.46Å; P266-I270 PolarHBondContact O-N 3.44Å; S267-I270 PolarHBondContact O-N 3.18Å; L268-I270 VanDerWaalsContact C-N 3.33Å; L268-I270 PolarHBondContact O-N 2.81Å; I270-L273 PolarHBondContact O-N 3.42Å; I270-S274 PolarHBondContact O-N 2.98Å; I270-T295 HydrophobicContact CG2-CG2 4.36Å; I270-T298 HydrophobicContact CD1-CG2 3.57Å; I270-T298 HydrophobicContact CG1-CG2 4.16Å; I270-M299 HydrophobicContact CG2-CB 4.26Å; I270-V330 HydrophobicContact CG2-CG2 4.17Å
271	V	97.7	Very high	94.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-46.4	175.8	175.3	0	0	0	0	110.3	S267 L268 L273 S274 W275 C326 F329 V330 F430	S267-V271 WeakPolarHBondContact O-CG2 3.3Å; S267-V271 PolarHBondContact O-N 2.7Å; L268-V271 PolarHBondContact O-N 3.24Å; V271-L273 VanDerWaalsContact C-N 3.31Å; V271-L273 PolarHBondContact O-N 3.22Å; V271-S274 WeakPolarHBondContact O-CB 3.2Å; V271-S274 PolarHBondContact O-N 3.04Å; V271-S274 VanDerWaalsContact O-N 3.16Å; V271-S274 PolarHBondContact O-OG 3.37Å; V271-W275 HydrophobicContact CG1-CZ2 3.65Å; V271-W275 VanDerWaalsContact O-CD1 3.28Å; V271-W275 PolarHBondContact O-N 2.84Å; V271-W275 PolarHBondContact O-NE1 3.03Å; V271-C326 HydrophobicContact CG2-CB 3.75Å; V271-F329 HydrophobicContact CG1-CB 4.17Å; V271-V330 HydrophobicContact CG2-CG2 4Å; V271-F430 HydrophobicContact CB-CE1 4.25Å; V271-F430 HydrophobicContact CB-CZ 4.13Å; V271-F430 HydrophobicContact CG1-CD1 4.05Å; V271-F430 HydrophobicContact CG1-CD2 4.2Å; V271-F430 HydrophobicContact CG1-CE1 3.9Å; V271-F430 HydrophobicContact CG1-CE2 4.09Å; V271-F430 HydrophobicContact CG1-CG 4.18Å; V271-F430 HydrophobicContact CG1-CZ 3.93Å; V271-F430 HydrophobicContact CG2-CE2 4.29Å; V271-F430 HydrophobicContact CG2-CZ 4.03Å
272	I	96.1	Very high	93.8	Very high	80 Å²	80	51.6 Å²	51.6	41%	0.41	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.5	-66.6	165.2	0	0	0	110.9	L268 L269 S274 W275	L268-I272 VanDerWaalsContact O-CG1 3.31Å; L268-I272 WeakPolarHBondContact O-CG1 3.35Å; L268-I272 PolarHBondContact O-N 3.3Å; L269-I272 PolarHBondContact O-N 3.27Å; I272-S274 VanDerWaalsContact C-N 3.26Å; I272-S274 PolarHBondContact O-N 3.45Å; I272-W275 HydrophobicContact CB-CE3 4.3Å; I272-W275 HydrophobicContact CB-CZ3 4.42Å; I272-W275 HydrophobicContact CG1-CE3 4.12Å; I272-W275 HydrophobicContact CG1-CH2 4.09Å; I272-W275 HydrophobicContact CG1-CZ3 3.74Å; I272-W275 HydrophobicContact CG2-CE3 4.32Å; I272-W275 WeakPolarHBondContact O-CB 3.43Å; I272-W275 PolarHBondContact O-N 3.49Å
273	L	95.4	Very high	93.3	Very high	89 Å²	89	52 Å²	52	47%	0.466	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-38.2	177.6	-173.5	63.8	0	0	0	111.3	L269 I270 V271 W275 V276 L291 T295	L269-L273 VanDerWaalsContact O-CB 3.29Å; L269-L273 WeakPolarHBondContact O-CB 3.24Å; L269-L273 PolarHBondContact O-N 3.4Å; I270-L273 PolarHBondContact O-N 3.42Å; V271-L273 VanDerWaalsContact C-N 3.31Å; V271-L273 PolarHBondContact O-N 3.22Å; L273-W275 PolarHBondContact O-N 3.33Å; L273-V276 HydrophobicContact CD1-CG2 4.32Å; L273-V276 VanDerWaalsContact O-CB 3.29Å; L273-V276 WeakPolarHBondContact O-CB 3.49Å; L273-V276 WeakPolarHBondContact O-CG2 3.43Å; L273-V276 PolarHBondContact O-N 2.75Å; L273-V276 VanDerWaalsContact O-N 3.1Å; L273-L291 WeakPolarHBondContact O-CD2 3.32Å; L273-T295 HydrophobicContact CB-CG2 4.33Å; L273-T295 HydrophobicContact CD2-CG2 4.01Å; L273-T295 HydrophobicContact CG-CG2 4.13Å
274	S	95.8	Very high	93.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-31.5	175.7	81.7	0	0	0	0	112.7	I270 V271 I272 V276 S277	I270-S274 PolarHBondContact O-N 2.98Å; V271-S274 WeakPolarHBondContact O-CB 3.2Å; V271-S274 PolarHBondContact O-N 3.04Å; V271-S274 VanDerWaalsContact O-N 3.16Å; V271-S274 PolarHBondContact O-OG 3.37Å; I272-S274 VanDerWaalsContact C-N 3.26Å; I272-S274 PolarHBondContact O-N 3.45Å; S274-V276 VanDerWaalsContact C-N 3.3Å; S274-V276 PolarHBondContact O-N 3.01Å; S274-S277 WeakPolarHBondContact O-CB 3.44Å; S274-S277 PolarHBondContact O-N 3.18Å; S274-S277 PolarHBondContact O-OG 2.92Å
275	W	94.5	Very high	92.6	Very high	40 Å²	40	54.3 Å²	54.3	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-73.4	-21.1	179.2	-51.5	-19.5	0	0	0	113.3	V271 I272 L273 S277 F278 P427 F430	V271-W275 HydrophobicContact CG1-CZ2 3.65Å; V271-W275 VanDerWaalsContact O-CD1 3.28Å; V271-W275 PolarHBondContact O-N 2.84Å; V271-W275 PolarHBondContact O-NE1 3.03Å; I272-W275 HydrophobicContact CB-CE3 4.3Å; I272-W275 HydrophobicContact CB-CZ3 4.42Å; I272-W275 HydrophobicContact CG1-CE3 4.12Å; I272-W275 HydrophobicContact CG1-CH2 4.09Å; I272-W275 HydrophobicContact CG1-CZ3 3.74Å; I272-W275 HydrophobicContact CG2-CE3 4.32Å; I272-W275 WeakPolarHBondContact O-CB 3.43Å; I272-W275 PolarHBondContact O-N 3.49Å; L273-W275 PolarHBondContact O-N 3.33Å; W275-S277 PolarHBondContact O-N 3.44Å; W275-F278 HydrophobicContact CB-CD2 3.99Å; W275-F278 HydrophobicContact CB-CE2 4Å; W275-F278 AromaticContact CD1-CE2 3.88Å; W275-F278 HydrophobicContact CG-CE2 4.18Å; W275-F278 WeakPolarHBondContact O-CB 3.29Å; W275-F278 WeakPolarHBondContact O-CD2 3.16Å; W275-F278 PolarHBondContact O-N 2.94Å; W275-P427 HydrophobicContact CD2-CG 3.98Å; W275-P427 HydrophobicContact CE3-CB 4.16Å; W275-P427 HydrophobicContact CE3-CG 3.73Å; W275-P427 HydrophobicContact CH2-CB 3.89Å; W275-P427 HydrophobicContact CH2-CG 4.26Å; W275-P427 HydrophobicContact CZ2-CB 4.39Å; W275-P427 HydrophobicContact CZ2-CG 4.49Å; W275-P427 HydrophobicContact CZ3-CB 3.76Å; W275-P427 HydrophobicContact CZ3-CG 3.87Å; W275-F430 HydrophobicContact CH2-CB 4.35Å; W275-F430 AromaticContact CH2-CD1 3.88Å; W275-F430 HydrophobicContact CH2-CD1 3.88Å; W275-F430 HydrophobicContact CH2-CG 4.49Å; W275-F430 HydrophobicContact CZ2-CB 3.85Å; W275-F430 AromaticContact CZ2-CD1 3.74Å; W275-F430 HydrophobicContact CZ2-CD1 3.74Å; W275-F430 HydrophobicContact CZ2-CG 4.01Å
276	V	92.5	Very high	92.3	Very high	65 Å²	65	55.2 Å²	55.2	39%	0.394	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-28.7	173.9	-179.4	0	0	0	0	110.4	L273 S274 F278 W279 I280 L291	L273-V276 HydrophobicContact CD1-CG2 4.32Å; L273-V276 VanDerWaalsContact O-CB 3.29Å; L273-V276 WeakPolarHBondContact O-CB 3.49Å; L273-V276 WeakPolarHBondContact O-CG2 3.43Å; L273-V276 PolarHBondContact O-N 2.75Å; L273-V276 VanDerWaalsContact O-N 3.1Å; S274-V276 VanDerWaalsContact C-N 3.3Å; S274-V276 PolarHBondContact O-N 3.01Å; V276-F278 PolarHBondContact O-N 3.07Å; V276-W279 PolarHBondContact O-N 3.08Å; V276-I280 PolarHBondContact O-N 2.89Å; V276-L291 HydrophobicContact CB-CD1 4.39Å
277	S	91.4	Very high	92.1	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.028	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32.6	175.3	70.2	0	0	0	0	113.6	S274 W275 W279 I280 R288	S274-S277 WeakPolarHBondContact O-CB 3.44Å; S274-S277 PolarHBondContact O-N 3.18Å; S274-S277 PolarHBondContact O-OG 2.92Å; W275-S277 PolarHBondContact O-N 3.44Å; S277-W279 PolarHBondContact O-N 2.83Å; S277-I280 PolarHBondContact O-N 3.13Å; S277-R288 VanDerWaalsContact O-CZ 3.28Å; S277-R288 PolarHBondContact O-NE 3.19Å
278	F	92.2	Very high	91.9	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-70.6	-17.6	-179.8	-51.3	-39.5	0	0	0	113.4	W275 V276 A333 E336 R423 F426	W275-F278 HydrophobicContact CB-CD2 3.99Å; W275-F278 HydrophobicContact CB-CE2 4Å; W275-F278 AromaticContact CD1-CE2 3.88Å; W275-F278 HydrophobicContact CG-CE2 4.18Å; W275-F278 WeakPolarHBondContact O-CB 3.29Å; W275-F278 WeakPolarHBondContact O-CD2 3.16Å; W275-F278 PolarHBondContact O-N 2.94Å; V276-F278 PolarHBondContact O-N 3.07Å; F278-A333 HydrophobicContact CE1-CB 4.08Å; F278-A333 HydrophobicContact CZ-CB 3.84Å; F278-E336 HydrophobicContact CD1-CG 4.44Å; F278-E336 WeakPolarHBondContact CD1-OE2 3.39Å; F278-E336 HydrophobicContact CE1-CB 4.17Å; F278-E336 HydrophobicContact CE1-CG 3.92Å; F278-R423 HydrophobicContact CB-CG 3.81Å; F278-R423 PolarHBondContact O-NE 2.87Å; F278-R423 PolarHBondContact O-NH2 3.25Å; F278-F426 HydrophobicContact CE2-CB 3.95Å; F278-F426 HydrophobicContact CE2-CD1 4.24Å; F278-F426 HydrophobicContact CE2-CD2 4.16Å; F278-F426 AromaticContact CE2-CG 3.88Å; F278-F426 HydrophobicContact CE2-CG 3.88Å; F278-F426 HydrophobicContact CZ-CB 4.42Å; F278-F426 AromaticContact CZ-CD1 3.9Å; F278-F426 HydrophobicContact CZ-CD1 3.9Å; F278-F426 AromaticContact CZ-CD2 3.96Å; F278-F426 HydrophobicContact CZ-CD2 3.96Å; F278-F426 HydrophobicContact CZ-CE1 4.06Å; F278-F426 HydrophobicContact CZ-CE2 4.12Å; F278-F426 AromaticContact CZ-CG 3.85Å; F278-F426 HydrophobicContact CZ-CG 3.85Å; F278-F426 HydrophobicContact CZ-CZ 4.17Å
279	W	90.8	Very high	91.7	Very high	174 Å²	174	55.7 Å²	55.7	66%	0.659	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-92.5	-16.9	177.4	-65.2	89.6	0	0	0	112.3	V276 S277 R423	V276-W279 PolarHBondContact O-N 3.08Å; S277-W279 PolarHBondContact O-N 2.83Å; W279-R423 HydrophobicContact CZ2-CG 4.38Å
280	I	90.8	Very high	91.6	Very high	46 Å²	46	53.1 Å²	53.1	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-78.7	133.5	177.4	-60.5	173.8	0	0	0	109.6	V276 S277 M282 A284 A287 R288 L291	V276-I280 PolarHBondContact O-N 2.89Å; S277-I280 PolarHBondContact O-N 3.13Å; I280-M282 PolarHBondContact O-N 2.92Å; I280-A284 HydrophobicContact CG2-CB 3.93Å; I280-A287 HydrophobicContact CG2-CB 4.42Å; I280-R288 HydrophobicContact CB-CG 3.84Å; I280-R288 HydrophobicContact CG2-CG 3.78Å; I280-R288 PolarHBondContact O-NH1 2.93Å; I280-L291 HydrophobicContact CD1-CD1 4.39Å
281	N	86.8	Confident	91.4	Very high	127 Å²	127	53.7 Å²	53.7	68%	0.679	30%	0.302	S	S	*	.			trans	-53.3	135.1	177.4	-68.9	-38.9	0	0	0	111.5	D283 A284	N281-D283 PolarHBondContact O-N 3.47Å; N281-A284 PolarHBondContact O-N 3.32Å
282	M	81.4	Confident	91.3	Very high	30 Å²	30	54 Å²	54	15%	0.148	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.5	-179.6	63.6	177.8	63.8	0	0	114.4	I280 A284 V340 A415 K416	I280-M282 PolarHBondContact O-N 2.92Å; M282-A284 VanDerWaalsContact C-N 3.33Å; M282-V340 HydrophobicContact CB-CG1 4.04Å; M282-V340 HydrophobicContact CE-CG1 4.22Å; M282-A415 HydrophobicContact CE-CB 3.75Å; M282-A415 HydrophobicContact SD-CB 4.39Å; M282-K416 HydrophobicContact CE-CG 4.08Å
283	D	81.8	Confident	91.2	Very high	114 Å²	114	54.6 Å²	54.6	61%	0.61	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.4	178	-68.3	-54	0	0	0	112.9	N281 A285 K348	N281-D283 PolarHBondContact O-N 3.47Å; D283-A285 PolarHBondContact O-N 2.8Å; D283-K348 IonicContact OD1-NZ 3.19Å; D283-K348 PolarHBondContact OD1-NZ 2.64Å
284	A	89.3	Confident	91.3	Very high	40 Å²	40	54.2 Å²	54.2	33%	0.331	31%	0.309	S	S	.	.			trans	-84.4	55.8	175.7	0	0	0	0	0	111.5	I280 N281 M282 P286 A287 R288	I280-A284 HydrophobicContact CG2-CB 3.93Å; N281-A284 PolarHBondContact O-N 3.32Å; M282-A284 VanDerWaalsContact C-N 3.33Å; A284-P286 VanDerWaalsContact C-CD 3.46Å; A284-A287 HydrophobicContact CB-CB 4.4Å; A284-A287 PolarHBondContact O-N 3.46Å; A284-A287 VanDerWaalsContact O-N 3.13Å; A284-R288 PolarHBondContact O-N 2.89Å
285	A	86.3	Confident	91.3	Very high	26 Å²	26	54.3 Å²	54.3	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-51.2	-44.5	-177.2	0	0	0	0	0	114.5	D283 A287 R288 V289 Y337	D283-A285 PolarHBondContact O-N 2.8Å; A285-A287 VanDerWaalsContact C-N 3.31Å; A285-A287 PolarHBondContact O-N 3.38Å; A285-R288 PolarHBondContact O-N 3.36Å; A285-V289 VanDerWaalsContact O-CG2 3.29Å; A285-V289 WeakPolarHBondContact O-CG2 3.29Å; A285-V289 PolarHBondContact O-N 3.1Å; A285-Y337 WeakPolarHBondContact CA-OH 3.22Å; A285-Y337 WeakPolarHBondContact CB-OH 3.32Å; A285-Y337 PolarHBondContact O-OH 2.95Å
286	P	91.1	Very high	91.5	Very high	104 Å²	104	53.8 Å²	53.8	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-60.7	-38.3	179.5	-24.1	35.2	0	0	0	113.2	A284 A290	A284-P286 VanDerWaalsContact C-CD 3.46Å; P286-A290 WeakPolarHBondContact O-CB 3.48Å; P286-A290 PolarHBondContact O-N 3.45Å
287	A	92.5	Very high	91.7	Very high	48 Å²	48	55.8 Å²	55.8	40%	0.397	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-44.9	-178.9	0	0	0	0	0	112.1	I280 A284 A285 L291	I280-A287 HydrophobicContact CG2-CB 4.42Å; A284-A287 HydrophobicContact CB-CB 4.4Å; A284-A287 PolarHBondContact O-N 3.46Å; A284-A287 VanDerWaalsContact O-N 3.13Å; A285-A287 VanDerWaalsContact C-N 3.31Å; A285-A287 PolarHBondContact O-N 3.38Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 PolarHBondContact O-N 2.66Å
288	R	92.8	Very high	91.9	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-42.2	178.6	-71.8	-176.2	75.8	163	-4.3	112.1	S277 I280 A284 A285 G292 E336 Y337 D419	S277-R288 VanDerWaalsContact O-CZ 3.28Å; S277-R288 PolarHBondContact O-NE 3.19Å; I280-R288 HydrophobicContact CB-CG 3.84Å; I280-R288 HydrophobicContact CG2-CG 3.78Å; I280-R288 PolarHBondContact O-NH1 2.93Å; A284-R288 PolarHBondContact O-N 2.89Å; A285-R288 PolarHBondContact O-N 3.36Å; R288-G292 PolarHBondContact O-N 2.95Å; R288-E336 IonicContact NH2-OE1 3.9Å; R288-E336 IonicContact NH2-OE2 2.82Å; R288-E336 PolarHBondContact NH2-OE2 2.98Å; R288-Y337 HydrophobicContact CB-CD1 4.47Å; R288-Y337 HydrophobicContact CB-CD2 3.62Å; R288-Y337 HydrophobicContact CB-CE2 3.69Å; R288-Y337 HydrophobicContact CB-CG 4Å; R288-Y337 HydrophobicContact CG-CD2 4.17Å; R288-Y337 HydrophobicContact CG-CE2 4.33Å; R288-Y337 VanDerWaalsContact NE-CD2 3.32Å; R288-D419 IonicContact CZ-OD1 3.39Å; R288-D419 IonicContact NH1-OD1 3.01Å; R288-D419 PolarHBondContact NH1-OD1 3.46Å; R288-D419 IonicContact NH1-OD2 3.54Å; R288-D419 IonicContact NH2-OD1 2.8Å; R288-D419 PolarHBondContact NH2-OD1 2.88Å
289	V	92.8	Very high	92.1	Very high	52 Å²	52	58.5 Å²	58.5	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-48.2	176.9	174.7	0	0	0	0	111	A285 L291 G292 I293 Y337	A285-V289 VanDerWaalsContact O-CG2 3.29Å; A285-V289 WeakPolarHBondContact O-CG2 3.29Å; A285-V289 PolarHBondContact O-N 3.1Å; V289-L291 PolarHBondContact O-N 2.88Å; V289-G292 PolarHBondContact O-N 2.89Å; V289-I293 HydrophobicContact CG1-CD1 3.56Å; V289-I293 HydrophobicContact CG1-CG1 4.25Å; V289-I293 WeakPolarHBondContact O-CG1 3.33Å; V289-I293 PolarHBondContact O-N 3.45Å; V289-Y337 HydrophobicContact CB-CE1 4.47Å; V289-Y337 HydrophobicContact CG2-CD1 4.11Å; V289-Y337 HydrophobicContact CG2-CE1 3.22Å
290	A	94.4	Very high	92.3	Very high	51 Å²	51	53.3 Å²	53.3	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-49.8	180	0	0	0	0	0	110.9	P286 G292 I293 T294	P286-A290 WeakPolarHBondContact O-CB 3.48Å; P286-A290 PolarHBondContact O-N 3.45Å; A290-G292 PolarHBondContact O-N 2.94Å; A290-I293 PolarHBondContact O-N 3.01Å; A290-T294 VanDerWaalsContact O-CB 3.31Å; A290-T294 WeakPolarHBondContact O-CB 3.48Å; A290-T294 PolarHBondContact O-N 3.36Å; A290-T294 PolarHBondContact O-OG1 2.91Å
291	L	94.1	Very high	92.6	Very high	34 Å²	34	55 Å²	55	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-44.7	178.2	-169.6	153.3	0	0	0	112	L273 V276 I280 A287 V289 T295	L273-L291 WeakPolarHBondContact O-CD2 3.32Å; V276-L291 HydrophobicContact CB-CD1 4.39Å; I280-L291 HydrophobicContact CD1-CD1 4.39Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 PolarHBondContact O-N 2.66Å; V289-L291 PolarHBondContact O-N 2.88Å; L291-T295 HydrophobicContact CD2-CG2 4.1Å; L291-T295 WeakPolarHBondContact O-CB 3.3Å; L291-T295 VanDerWaalsContact O-CG2 3.32Å; L291-T295 WeakPolarHBondContact O-CG2 3.41Å; L291-T295 PolarHBondContact O-N 2.99Å; L291-T295 PolarHBondContact O-OG1 3.28Å
292	G	94	Very high	92.9	Very high	5 Å²	5	50.6 Å²	50.6	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-44.9	179.7	0	0	0	0	0	113.2	R288 V289 A290 T295 V296	R288-G292 PolarHBondContact O-N 2.95Å; V289-G292 PolarHBondContact O-N 2.89Å; A290-G292 PolarHBondContact O-N 2.94Å; G292-T295 PolarHBondContact O-OG1 3.17Å; G292-V296 WeakPolarHBondContact O-CG2 3.33Å; G292-V296 PolarHBondContact O-N 3.34Å; G292-V296 VanDerWaalsContact O-N 3.13Å
293	I	95.6	Very high	93.5	Very high	93 Å²	93	50.2 Å²	50.2	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-45.2	177.5	-67.3	175	0	0	0	110.7	V289 A290 T295 V296 L297	V289-I293 HydrophobicContact CG1-CD1 3.56Å; V289-I293 HydrophobicContact CG1-CG1 4.25Å; V289-I293 WeakPolarHBondContact O-CG1 3.33Å; V289-I293 PolarHBondContact O-N 3.45Å; A290-I293 PolarHBondContact O-N 3.01Å; I293-T295 PolarHBondContact O-N 3.42Å; I293-V296 PolarHBondContact O-N 3.45Å; I293-L297 WeakPolarHBondContact O-CB 3.49Å; I293-L297 PolarHBondContact O-N 3.01Å
294	T	96.4	Very high	94	Very high	81 Å²	81	47.7 Å²	47.7	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-45.2	179.5	-61.8	0	0	0	0	111	A290 V296 L297 T298	A290-T294 VanDerWaalsContact O-CB 3.31Å; A290-T294 WeakPolarHBondContact O-CB 3.48Å; A290-T294 PolarHBondContact O-N 3.36Å; A290-T294 PolarHBondContact O-OG1 2.91Å; T294-V296 PolarHBondContact O-N 3.21Å; T294-L297 PolarHBondContact O-N 3.42Å; T294-T298 WeakPolarHBondContact O-CB 3.49Å; T294-T298 PolarHBondContact O-N 2.67Å; T294-T298 PolarHBondContact O-OG1 3.39Å
295	T	96.7	Very high	94.1	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-41.4	178.5	48.1	0	0	0	0	112.6	I270 L273 L291 G292 I293 M299 V330	I270-T295 HydrophobicContact CG2-CG2 4.36Å; L273-T295 HydrophobicContact CB-CG2 4.33Å; L273-T295 HydrophobicContact CD2-CG2 4.01Å; L273-T295 HydrophobicContact CG-CG2 4.13Å; L291-T295 HydrophobicContact CD2-CG2 4.1Å; L291-T295 WeakPolarHBondContact O-CB 3.3Å; L291-T295 VanDerWaalsContact O-CG2 3.32Å; L291-T295 WeakPolarHBondContact O-CG2 3.41Å; L291-T295 PolarHBondContact O-N 2.99Å; L291-T295 PolarHBondContact O-OG1 3.28Å; G292-T295 PolarHBondContact O-OG1 3.17Å; I293-T295 PolarHBondContact O-N 3.42Å; T295-M299 WeakPolarHBondContact O-CB 3.22Å; T295-M299 PolarHBondContact O-N 3.18Å; T295-V330 VanDerWaalsContact C-CG1 3.5Å; T295-V330 VanDerWaalsContact CB-CG1 3.49Å; T295-V330 VanDerWaalsContact OG1-CG1 3.32Å; T295-V330 WeakPolarHBondContact OG1-CG1 3.49Å
296	V	97	Very high	94.2	Very high	29 Å²	29	47 Å²	47	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-45.9	174.4	172.1	0	0	0	0	111	G292 I293 T294 M299 T300 L327 V330 L334	G292-V296 WeakPolarHBondContact O-CG2 3.33Å; G292-V296 PolarHBondContact O-N 3.34Å; G292-V296 VanDerWaalsContact O-N 3.13Å; I293-V296 PolarHBondContact O-N 3.45Å; T294-V296 PolarHBondContact O-N 3.21Å; V296-M299 PolarHBondContact O-N 2.96Å; V296-T300 WeakPolarHBondContact O-CB 3.18Å; V296-T300 PolarHBondContact O-N 2.94Å; V296-T300 PolarHBondContact O-OG1 3.27Å; V296-L327 HydrophobicContact CG1-CD1 4.25Å; V296-V330 HydrophobicContact CB-CG1 4.4Å; V296-V330 HydrophobicContact CG2-CG1 3.72Å; V296-L334 HydrophobicContact CG2-CD2 4.39Å
297	L	96.8	Very high	94.1	Very high	108 Å²	108	48 Å²	48	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-62.3	-49.8	178.9	179	61.8	0	0	0	110.8	I293 T294 M299 T300 T301	I293-L297 WeakPolarHBondContact O-CB 3.49Å; I293-L297 PolarHBondContact O-N 3.01Å; T294-L297 PolarHBondContact O-N 3.42Å; L297-M299 VanDerWaalsContact C-N 3.32Å; L297-M299 PolarHBondContact O-N 3.42Å; L297-T300 WeakPolarHBondContact O-CB 3.44Å; L297-T300 PolarHBondContact O-N 3.24Å; L297-T300 VanDerWaalsContact O-N 3.14Å; L297-T301 PolarHBondContact O-N 2.94Å; L297-T301 PolarHBondContact O-OG1 3.43Å; L297-T301 VanDerWaalsContact O-OG1 3.05Å
298	T	96.9	Very high	93.9	Very high	62 Å²	62	49.6 Å²	49.6	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-43.1	178.5	-55.1	0	0	0	0	111.5	I270 T294 T300 T301 Q302	I270-T298 HydrophobicContact CD1-CG2 3.57Å; I270-T298 HydrophobicContact CG1-CG2 4.16Å; T294-T298 WeakPolarHBondContact O-CB 3.49Å; T294-T298 PolarHBondContact O-N 2.67Å; T294-T298 PolarHBondContact O-OG1 3.39Å; T298-T300 VanDerWaalsContact C-N 3.35Å; T298-T300 PolarHBondContact O-N 2.86Å; T298-T301 PolarHBondContact O-N 3.23Å; T298-Q302 WeakPolarHBondContact O-CB 3.23Å; T298-Q302 PolarHBondContact O-N 2.92Å
299	M	96	Very high	93.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-39.9	177.1	-169.6	65.5	-156.6	0	0	112	I270 T295 V296 L297 Q302 S303 M323 C326 L327	I270-M299 HydrophobicContact CG2-CB 4.26Å; T295-M299 WeakPolarHBondContact O-CB 3.22Å; T295-M299 PolarHBondContact O-N 3.18Å; V296-M299 PolarHBondContact O-N 2.96Å; L297-M299 VanDerWaalsContact C-N 3.32Å; L297-M299 PolarHBondContact O-N 3.42Å; M299-Q302 PolarHBondContact O-N 2.88Å; M299-S303 WeakPolarHBondContact O-CB 3.39Å; M299-S303 PolarHBondContact O-N 2.69Å; M299-M323 HydrophobicContact CE-CB 4.07Å; M299-M323 HydrophobicContact CE-CE 3.74Å; M299-M323 HydrophobicContact CE-CG 4.4Å; M299-M323 WeakPolarHBondContact CE-O 3.49Å; M299-M323 HydrophobicContact CE-SD 3.49Å; M299-M323 WeakPolarHBondContact CE-SD 3.3Å; M299-C326 HydrophobicContact CE-CB 3.25Å; M299-C326 HydrophobicContact SD-CB 3.94Å; M299-L327 HydrophobicContact CB-CD1 4.14Å; M299-L327 HydrophobicContact CG-CB 4.08Å; M299-L327 HydrophobicContact CG-CD1 4.07Å
300	T	95.7	Very high	93.3	Very high	65 Å²	65	50.8 Å²	50.8	40%	0.399	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-45.6	176.2	-56	0	0	0	0	111.1	V296 L297 T298 Q302 S303 S304	V296-T300 WeakPolarHBondContact O-CB 3.18Å; V296-T300 PolarHBondContact O-N 2.94Å; V296-T300 PolarHBondContact O-OG1 3.27Å; L297-T300 WeakPolarHBondContact O-CB 3.44Å; L297-T300 PolarHBondContact O-N 3.24Å; L297-T300 VanDerWaalsContact O-N 3.14Å; T298-T300 VanDerWaalsContact C-N 3.35Å; T298-T300 PolarHBondContact O-N 2.86Å; T300-Q302 PolarHBondContact O-N 2.98Å; T300-S303 PolarHBondContact O-N 3.23Å; T300-S304 PolarHBondContact O-N 3.32Å; T300-S304 PolarHBondContact O-OG 3.49Å
301	T	95.9	Very high	93.2	Very high	80 Å²	80	49.2 Å²	49.2	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.6	-57.9	0	0	0	0	111.1	L297 T298 S303 S304 G305	L297-T301 PolarHBondContact O-N 2.94Å; L297-T301 PolarHBondContact O-OG1 3.43Å; L297-T301 VanDerWaalsContact O-OG1 3.05Å; T298-T301 PolarHBondContact O-N 3.23Å; T301-S303 VanDerWaalsContact C-N 3.34Å; T301-S303 PolarHBondContact O-N 3.1Å; T301-S304 WeakPolarHBondContact CA-OG 3.42Å; T301-S304 PolarHBondContact O-N 3.42Å; T301-S304 PolarHBondContact O-OG 3.01Å; T301-G305 PolarHBondContact O-N 3.42Å
302	Q	94.3	Very high	93.1	Very high	35 Å²	35	58 Å²	58	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-41.4	177.6	-162.7	-174.5	8.5	0	0	111.6	M263 T298 M299 T300 S304 G305 S306 M323	M263-Q302 PolarHBondContact O-NE2 3.27Å; M263-Q302 VanDerWaalsContact O-NE2 3.1Å; T298-Q302 WeakPolarHBondContact O-CB 3.23Å; T298-Q302 PolarHBondContact O-N 2.92Å; M299-Q302 PolarHBondContact O-N 2.88Å; T300-Q302 PolarHBondContact O-N 2.98Å; Q302-S304 PolarHBondContact O-N 3.33Å; Q302-G305 PolarHBondContact O-N 3.07Å; Q302-S306 PolarHBondContact O-N 3.3Å; Q302-S306 PolarHBondContact O-OG 3.46Å; Q302-M323 VanDerWaalsContact C-CE 3.46Å; Q302-M323 HydrophobicContact CB-CE 3.82Å; Q302-M323 HydrophobicContact CG-CE 3.68Å
303	S	93.2	Very high	93	Very high	23 Å²	23	59.5 Å²	59.5	16%	0.161	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-37	176.1	174.9	0	0	0	0	113	M299 T300 T301 S306 R307 M323	M299-S303 WeakPolarHBondContact O-CB 3.39Å; M299-S303 PolarHBondContact O-N 2.69Å; T300-S303 PolarHBondContact O-N 3.23Å; T301-S303 VanDerWaalsContact C-N 3.34Å; T301-S303 PolarHBondContact O-N 3.1Å; S303-S306 PolarHBondContact O-OG 2.96Å; S303-S306 VanDerWaalsContact O-OG 3.09Å; S303-R307 WeakPolarHBondContact O-CG 3.37Å; S303-R307 PolarHBondContact O-NE 3.49Å; S303-M323 VanDerWaalsContact CA-CE 3.45Å; S303-M323 VanDerWaalsContact N-CE 3.3Å
304	S	92.2	Very high	93	Very high	60 Å²	60	61.2 Å²	61.2	42%	0.42	37%	0.365	S	S	.	.	H	α-helix	trans	-68.6	-40	171	53.2	0	0	0	0	112.5	T300 T301 Q302 R307 A308	T300-S304 PolarHBondContact O-N 3.32Å; T300-S304 PolarHBondContact O-OG 3.49Å; T301-S304 WeakPolarHBondContact CA-OG 3.42Å; T301-S304 PolarHBondContact O-N 3.42Å; T301-S304 PolarHBondContact O-OG 3.01Å; Q302-S304 PolarHBondContact O-N 3.33Å; S304-R307 PolarHBondContact O-N 3.44Å; S304-A308 PolarHBondContact O-N 3.3Å
305	G	91.6	Very high	92.9	Very high	45 Å²	45	60.9 Å²	60.9	46%	0.464	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-42.2	179.5	0	0	0	0	0	112.8	T301 Q302 R307 A308	T301-G305 PolarHBondContact O-N 3.42Å; Q302-G305 PolarHBondContact O-N 3.07Å; G305-R307 PolarHBondContact O-N 3.39Å; G305-A308 WeakPolarHBondContact O-CB 3.35Å; G305-A308 PolarHBondContact O-N 3Å
306	S	88.7	Confident	92.7	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-65.5	-22.7	178.3	65.4	0	0	0	0	113.6	Q302 S303	Q302-S306 PolarHBondContact O-N 3.3Å; Q302-S306 PolarHBondContact O-OG 3.46Å; S303-S306 PolarHBondContact O-OG 2.96Å; S303-S306 VanDerWaalsContact O-OG 3.09Å
307	R	88.7	Confident	92.6	Very high	125 Å²	125	64.6 Å²	64.6	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-92.1	-14	178.6	-69.7	178.8	-70	162.2	-1.4	113.5	S303 S304 G305 S309 L310	S303-R307 WeakPolarHBondContact O-CG 3.37Å; S303-R307 PolarHBondContact O-NE 3.49Å; S304-R307 PolarHBondContact O-N 3.44Å; G305-R307 PolarHBondContact O-N 3.39Å; R307-S309 VanDerWaalsContact C-N 3.31Å; R307-S309 PolarHBondContact O-N 2.86Å; R307-L310 PolarHBondContact O-N 3.46Å
308	A	88.4	Confident	92.6	Very high	83 Å²	83	59.5 Å²	59.5	69%	0.686	35%	0.349	S	S	*	.	H	α-helix	trans	-68.1	-31.1	-175.6	0	0	0	0	0	112.9	S304 G305 L310	S304-A308 PolarHBondContact O-N 3.3Å; G305-A308 WeakPolarHBondContact O-CB 3.35Å; G305-A308 PolarHBondContact O-N 3Å; A308-L310 VanDerWaalsContact C-N 3.33Å
309	S	83.3	Confident	92.5	Very high	66 Å²	66	56.5 Å²	56.5	46%	0.462	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	8.3	179.7	63.9	0	0	0	0	113.8	R307	R307-S309 VanDerWaalsContact C-N 3.31Å; R307-S309 PolarHBondContact O-N 2.86Å
310	L	89.6	Confident	92.4	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.063	34%	0.34	C	S	.	.	S	Bend	trans	-118.5	151.5	-175.7	-67.9	176.7	0	0	0	111.1	E89 F181 R307 A308 K317	E89-L310 HydrophobicContact CB-CD2 4.42Å; F181-L310 HydrophobicContact CD1-CD1 3.9Å; F181-L310 HydrophobicContact CD2-CD2 4.23Å; F181-L310 HydrophobicContact CE1-CD1 3.6Å; F181-L310 HydrophobicContact CE1-CD2 4.22Å; F181-L310 HydrophobicContact CE1-CG 4.42Å; F181-L310 HydrophobicContact CE2-CD2 3.74Å; F181-L310 HydrophobicContact CZ-CD1 3.94Å; F181-L310 HydrophobicContact CZ-CD2 3.71Å; F181-L310 HydrophobicContact CZ-CG 4.28Å; R307-L310 PolarHBondContact O-N 3.46Å; A308-L310 VanDerWaalsContact C-N 3.33Å; L310-K317 HydrophobicContact CD1-CD 4.48Å
311	P	92.8	Very high	92.4	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.123	34%	0.337	C	S	.	.			trans	-64.8	152	172.5	30.2	-35.8	0	0	0	110.4	E89 M92 L178 V313	E89-P311 WeakPolarHBondContact O-CB 3.43Å; E89-P311 VanDerWaalsContact O-CD 3.29Å; E89-P311 WeakPolarHBondContact O-CD 3.07Å; E89-P311 WeakPolarHBondContact O-CG 3.31Å; M92-P311 HydrophobicContact CE-CB 4.35Å; M92-P311 HydrophobicContact CE-CG 4.1Å; L178-P311 HydrophobicContact CD1-CG 3.51Å; P311-V313 HydrophobicContact CG-CG1 4.2Å; P311-V313 PolarHBondContact O-N 2.96Å
312	K	91.1	Very high	92.5	Very high	219 Å²	219	54.3 Å²	54.3	95%	0.952	31%	0.313	S	S	*	.			trans	-75.5	88.3	176	-64.3	-179.5	-176.3	176	0	109.8
313	V	93	Very high	92.6	Very high	35 Å²	35	52.8 Å²	52.8	21%	0.212	31%	0.306	C	S	.	.			trans	-92.5	148.8	173.2	-62.4	0	0	0	0	111.2	M92 P311 Y315 K317	M92-V313 HydrophobicContact CE-CG1 4.49Å; P311-V313 HydrophobicContact CG-CG1 4.2Å; P311-V313 PolarHBondContact O-N 2.96Å; V313-Y315 HydrophobicContact CB-CD1 4.31Å; V313-Y315 HydrophobicContact CB-CE1 3.93Å; V313-Y315 HydrophobicContact CB-CE2 4.17Å; V313-Y315 HydrophobicContact CG1-CE1 4.19Å; V313-Y315 HydrophobicContact CG2-CD2 4.27Å; V313-Y315 HydrophobicContact CG2-CE2 3.94Å; V313-K317 HydrophobicContact CG2-CD 3.85Å; V313-K317 HydrophobicContact CG2-CG 4.2Å
314	S	93.8	Very high	92.7	Very high	130 Å²	130	54.4 Å²	54.4	91%	0.909	32%	0.321	S	S	*	.	S	Bend	trans	-86	-19	-177.6	55.2	0	0	0	0	114.2
315	Y	94.5	Very high	93	Very high	73 Å²	73	53 Å²	53	29%	0.286	31%	0.31	S	S	.	.	S	Bend	trans	-90.1	158.9	179.9	53.7	-101.4	0	0	0	112.4	L178 K179 V313 K317	L178-Y315 HydrophobicContact CB-CE2 4.31Å; L178-Y315 PolarHBondContact N-OH 3.32Å; L178-Y315 VanDerWaalsContact N-OH 3.07Å; K179-Y315 HydrophobicContact CG-CD2 3.88Å; K179-Y315 HydrophobicContact CG-CE2 3.94Å; V313-Y315 HydrophobicContact CB-CD1 4.31Å; V313-Y315 HydrophobicContact CB-CE1 3.93Å; V313-Y315 HydrophobicContact CB-CE2 4.17Å; V313-Y315 HydrophobicContact CG1-CE1 4.19Å; V313-Y315 HydrophobicContact CG2-CD2 4.27Å; V313-Y315 HydrophobicContact CG2-CE2 3.94Å; Y315-K317 HydrophobicContact CD2-CG 4.39Å; Y315-K317 HydrophobicContact CE2-CG 4.26Å
316	V	94.3	Very high	93.3	Very high	98 Å²	98	50.9 Å²	50.9	59%	0.594	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-76.3	132.2	178.2	-178.8	0	0	0	0	110	D320 I321	V316-D320 HydrophobicContact CG1-CB 4.22Å; V316-I321 HydrophobicContact CG1-CD1 4.15Å; V316-I321 HydrophobicContact CG1-CG1 3.64Å
317	K	94.9	Very high	93.7	Very high	13 Å²	13	53.3 Å²	53.3	6%	0.057	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-101.8	159.9	176.4	-58.1	176	-66.5	-53.2	0	111.6	L178 K179 L310 V313 Y315 I319 D320 I321	L178-K317 HydrophobicContact CB-CD 4.15Å; L178-K317 WeakPolarHBondContact O-CG 3.33Å; K179-K317 CarbonylContact O-C 3.11Å; K179-K317 WeakPolarHBondContact O-CA 3.33Å; L310-K317 HydrophobicContact CD1-CD 4.48Å; V313-K317 HydrophobicContact CG2-CD 3.85Å; V313-K317 HydrophobicContact CG2-CG 4.2Å; Y315-K317 HydrophobicContact CD2-CG 4.39Å; Y315-K317 HydrophobicContact CE2-CG 4.26Å; K317-I319 VanDerWaalsContact C-N 3.27Å; K317-I319 HydrophobicContact CB-CG2 4.14Å; K317-I319 PolarHBondContact O-N 3.24Å; K317-D320 WeakPolarHBondContact CB-OD2 3.41Å; K317-D320 WeakPolarHBondContact CE-OD2 3.4Å; K317-D320 PolarHBondContact N-OD2 3.08Å; K317-D320 IonicContact NZ-OD1 2.72Å; K317-D320 PolarHBondContact NZ-OD1 3.07Å; K317-D320 IonicContact NZ-OD2 3.78Å; K317-D320 PolarHBondContact NZ-OD2 2.89Å; K317-D320 WeakPolarHBondContact O-CB 3.26Å; K317-D320 PolarHBondContact O-N 3.26Å; K317-I321 PolarHBondContact O-N 3.3Å
318	A	95.1	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-38.6	176.6	0	0	0	0	0	113.4	K179 F181 D320 I321 W322 Y437 Y441	K179-A318 PolarHBondContact O-N 3.18Å; F181-A318 WeakPolarHBondContact O-CB 3.31Å; A318-D320 VanDerWaalsContact C-N 3.33Å; A318-I321 PolarHBondContact O-N 3.47Å; A318-W322 PolarHBondContact O-N 3.39Å; A318-W322 VanDerWaalsContact O-N 3.17Å; A318-Y437 PolarHBondContact O-OH 3.14Å; A318-Y441 WeakPolarHBondContact CA-OH 3.29Å; A318-Y441 HydrophobicContact CB-CD1 3.92Å; A318-Y441 HydrophobicContact CB-CD2 4.38Å; A318-Y441 HydrophobicContact CB-CE1 3.32Å; A318-Y441 HydrophobicContact CB-CE2 3.85Å; A318-Y441 HydrophobicContact CB-CG 4.42Å; A318-Y441 WeakPolarHBondContact CB-OH 3.35Å
319	I	94.9	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-33.6	173.9	-167.1	59.8	0	0	0	112.7	F181 M263 Y264 K317 I321 W322 M323	F181-I319 HydrophobicContact CD1-CB 4.1Å; F181-I319 HydrophobicContact CD1-CG2 3.65Å; F181-I319 HydrophobicContact CE1-CB 4.43Å; F181-I319 HydrophobicContact CE1-CG2 4.08Å; F181-I319 PolarHBondContact O-N 2.95Å; F181-I319 VanDerWaalsContact O-N 3.13Å; M263-I319 HydrophobicContact CB-CD1 4.46Å; M263-I319 HydrophobicContact SD-CD1 4.31Å; M263-I319 HydrophobicContact SD-CG1 4.44Å; Y264-I319 HydrophobicContact CE2-CD1 4.37Å; K317-I319 VanDerWaalsContact C-N 3.27Å; K317-I319 HydrophobicContact CB-CG2 4.14Å; K317-I319 PolarHBondContact O-N 3.24Å; I319-I321 VanDerWaalsContact C-N 3.34Å; I319-W322 PolarHBondContact O-N 3.39Å; I319-M323 HydrophobicContact CD1-CG 4.29Å; I319-M323 HydrophobicContact CG1-CG 4.23Å; I319-M323 VanDerWaalsContact O-CG 3.26Å; I319-M323 WeakPolarHBondContact O-CG 3.42Å; I319-M323 PolarHBondContact O-N 3.07Å
320	D	94.8	Very high	95.2	Very high	33 Å²	33	46.9 Å²	46.9	18%	0.176	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-39.9	179.6	-61	-37.1	0	0	0	110.1	V316 K317 A318 M323 A324	V316-D320 HydrophobicContact CG1-CB 4.22Å; K317-D320 WeakPolarHBondContact CB-OD2 3.41Å; K317-D320 WeakPolarHBondContact CE-OD2 3.4Å; K317-D320 PolarHBondContact N-OD2 3.08Å; K317-D320 IonicContact NZ-OD1 2.72Å; K317-D320 PolarHBondContact NZ-OD1 3.07Å; K317-D320 IonicContact NZ-OD2 3.78Å; K317-D320 PolarHBondContact NZ-OD2 2.89Å; K317-D320 WeakPolarHBondContact O-CB 3.26Å; K317-D320 PolarHBondContact O-N 3.26Å; A318-D320 VanDerWaalsContact C-N 3.33Å; D320-M323 PolarHBondContact O-N 3.49Å; D320-A324 WeakPolarHBondContact O-CB 3.23Å; D320-A324 PolarHBondContact O-N 3.09Å
321	I	96.3	Very high	95.5	Very high	66 Å²	66	50.8 Å²	50.8	34%	0.338	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-47	174.7	-60.8	-177.8	0	0	0	110.3	V316 K317 A318 I319 M323 A324 V325 Y441	V316-I321 HydrophobicContact CG1-CD1 4.15Å; V316-I321 HydrophobicContact CG1-CG1 3.64Å; K317-I321 PolarHBondContact O-N 3.3Å; A318-I321 PolarHBondContact O-N 3.47Å; I319-I321 VanDerWaalsContact C-N 3.34Å; I321-M323 PolarHBondContact O-N 2.98Å; I321-A324 PolarHBondContact O-N 3.12Å; I321-V325 HydrophobicContact CG2-CG2 4.41Å; I321-V325 WeakPolarHBondContact O-CB 3.35Å; I321-V325 WeakPolarHBondContact O-CG2 3.32Å; I321-V325 PolarHBondContact O-N 3.31Å; I321-Y441 WeakPolarHBondContact CD1-OH 3.06Å
322	W	97	Very high	95.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-51.9	176.9	175.9	-93.5	0	0	0	112.2	Y264 S267 L268 A318 I319 A324 V325 C326 F433 N434 Y437	Y264-W322 AromaticContact CD1-CD2 3.57Å; Y264-W322 HydrophobicContact CD1-CD2 3.57Å; Y264-W322 AromaticContact CD1-CE2 3.41Å; Y264-W322 VanDerWaalsContact CD1-CE2 3.41Å; Y264-W322 AromaticContact CD1-CE3 3.98Å; Y264-W322 HydrophobicContact CD1-CE3 3.98Å; Y264-W322 HydrophobicContact CD1-CG 4.01Å; Y264-W322 HydrophobicContact CD1-CH2 4.09Å; Y264-W322 AromaticContact CD1-CZ2 3.72Å; Y264-W322 HydrophobicContact CD1-CZ2 3.72Å; Y264-W322 HydrophobicContact CD1-CZ3 4.22Å; Y264-W322 AromaticContact CD1-NE1 3.73Å; Y264-W322 HydrophobicContact CE1-CB 4.26Å; Y264-W322 AromaticContact CE1-CD2 3.53Å; Y264-W322 HydrophobicContact CE1-CD2 3.53Å; Y264-W322 AromaticContact CE1-CE2 3.9Å; Y264-W322 AromaticContact CE1-CE3 3.84Å; Y264-W322 HydrophobicContact CE1-CE3 3.84Å; Y264-W322 AromaticContact CE1-CG 3.68Å; Y264-W322 HydrophobicContact CE1-CG 3.68Å; Y264-W322 HydrophobicContact CE1-CZ3 4.42Å; S267-W322 PolarHBondContact OG-NE1 2.88Å; L268-W322 HydrophobicContact CD2-CH2 3.65Å; L268-W322 HydrophobicContact CD2-CZ2 3.75Å; L268-W322 HydrophobicContact CG-CH2 4.11Å; L268-W322 HydrophobicContact CG-CZ2 3.82Å; A318-W322 PolarHBondContact O-N 3.39Å; A318-W322 VanDerWaalsContact O-N 3.17Å; I319-W322 PolarHBondContact O-N 3.39Å; W322-A324 PolarHBondContact O-N 2.92Å; W322-V325 PolarHBondContact O-N 3.48Å; W322-C326 WeakPolarHBondContact O-CB 3.36Å; W322-C326 PolarHBondContact O-N 2.91Å; W322-C326 PolarHBondContact O-SG 2.94Å; W322-F433 AromaticContact CE3-CE1 3.71Å; W322-F433 HydrophobicContact CE3-CE1 3.71Å; W322-F433 HydrophobicContact CE3-CZ 4.05Å; W322-F433 AromaticContact CZ3-CE1 3.8Å; W322-F433 HydrophobicContact CZ3-CE1 3.8Å; W322-N434 VanDerWaalsContact CH2-OD1 3.24Å; W322-N434 WeakPolarHBondContact CH2-OD1 3.04Å; W322-Y437 HydrophobicContact CB-CE2 4Å; W322-Y437 AromaticContact CE3-CD1 3.8Å; W322-Y437 HydrophobicContact CE3-CD1 3.8Å; W322-Y437 HydrophobicContact CE3-CD2 4.26Å; W322-Y437 AromaticContact CE3-CE1 3.84Å; W322-Y437 HydrophobicContact CE3-CE1 3.84Å; W322-Y437 HydrophobicContact CE3-CE2 4.28Å; W322-Y437 HydrophobicContact CE3-CG 4.03Å; W322-Y437 HydrophobicContact CZ3-CD1 4.08Å; W322-Y437 HydrophobicContact CZ3-CE1 4.44Å; W322-Y437 HydrophobicContact CZ3-CG 4.4Å
323	M	96.1	Very high	95.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-37	-178.2	-62.7	-59.1	-91.3	0	0	111.9	M299 Q302 S303 I319 D320 I321 L327	M299-M323 HydrophobicContact CE-CB 4.07Å; M299-M323 HydrophobicContact CE-CE 3.74Å; M299-M323 HydrophobicContact CE-CG 4.4Å; M299-M323 WeakPolarHBondContact CE-O 3.49Å; M299-M323 HydrophobicContact CE-SD 3.49Å; M299-M323 WeakPolarHBondContact CE-SD 3.3Å; Q302-M323 VanDerWaalsContact C-CE 3.46Å; Q302-M323 HydrophobicContact CB-CE 3.82Å; Q302-M323 HydrophobicContact CG-CE 3.68Å; S303-M323 VanDerWaalsContact CA-CE 3.45Å; S303-M323 VanDerWaalsContact N-CE 3.3Å; I319-M323 HydrophobicContact CD1-CG 4.29Å; I319-M323 HydrophobicContact CG1-CG 4.23Å; I319-M323 VanDerWaalsContact O-CG 3.26Å; I319-M323 WeakPolarHBondContact O-CG 3.42Å; I319-M323 PolarHBondContact O-N 3.07Å; D320-M323 PolarHBondContact O-N 3.49Å; I321-M323 PolarHBondContact O-N 2.98Å; M323-L327 VanDerWaalsContact O-CB 3.27Å; M323-L327 WeakPolarHBondContact O-CB 3.34Å; M323-L327 PolarHBondContact O-N 3.27Å
324	A	96.7	Very high	95.9	Very high	57 Å²	57	41.2 Å²	41.2	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-65.9	-44.1	177.1	0	0	0	0	0	112.1	D320 I321 W322 L327 L328	D320-A324 WeakPolarHBondContact O-CB 3.23Å; D320-A324 PolarHBondContact O-N 3.09Å; I321-A324 PolarHBondContact O-N 3.12Å; W322-A324 PolarHBondContact O-N 2.92Å; A324-L327 PolarHBondContact O-N 3.44Å; A324-L328 WeakPolarHBondContact O-CB 3.44Å; A324-L328 PolarHBondContact O-N 3.19Å
325	V	97.4	Very high	95.9	Very high	31 Å²	31	39.6 Å²	39.6	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-44.9	177.4	174.1	0	0	0	0	110.7	I321 W322 L327 L328 F329 F433	I321-V325 HydrophobicContact CG2-CG2 4.41Å; I321-V325 WeakPolarHBondContact O-CB 3.35Å; I321-V325 WeakPolarHBondContact O-CG2 3.32Å; I321-V325 PolarHBondContact O-N 3.31Å; W322-V325 PolarHBondContact O-N 3.48Å; V325-L327 VanDerWaalsContact C-N 3.32Å; V325-L327 PolarHBondContact O-N 3.24Å; V325-L328 WeakPolarHBondContact O-CB 3.34Å; V325-L328 PolarHBondContact O-N 3.04Å; V325-L328 VanDerWaalsContact O-N 3.12Å; V325-F329 HydrophobicContact CG1-CD2 3.77Å; V325-F329 HydrophobicContact CG1-CE2 3.69Å; V325-F329 WeakPolarHBondContact O-CD2 3.5Å; V325-F329 PolarHBondContact O-N 2.6Å; V325-F433 HydrophobicContact CB-CD2 4.46Å; V325-F433 HydrophobicContact CB-CE1 4.04Å; V325-F433 HydrophobicContact CB-CE2 3.9Å; V325-F433 HydrophobicContact CB-CZ 3.67Å; V325-F433 HydrophobicContact CG1-CD1 3.76Å; V325-F433 HydrophobicContact CG1-CD2 3.82Å; V325-F433 HydrophobicContact CG1-CE1 3.69Å; V325-F433 HydrophobicContact CG1-CE2 3.76Å; V325-F433 HydrophobicContact CG1-CG 3.81Å; V325-F433 HydrophobicContact CG1-CZ 3.7Å; V325-F433 HydrophobicContact CG2-CD2 4.34Å; V325-F433 HydrophobicContact CG2-CE2 3.71Å; V325-F433 HydrophobicContact CG2-CZ 3.93Å
326	C	97.8	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-42.3	175.2	-70.3	0	0	0	0	112	V271 M299 W322 L328 F329 V330	V271-C326 HydrophobicContact CG2-CB 3.75Å; M299-C326 HydrophobicContact CE-CB 3.25Å; M299-C326 HydrophobicContact SD-CB 3.94Å; W322-C326 WeakPolarHBondContact O-CB 3.36Å; W322-C326 PolarHBondContact O-N 2.91Å; W322-C326 PolarHBondContact O-SG 2.94Å; C326-L328 VanDerWaalsContact C-N 3.34Å; C326-L328 PolarHBondContact O-N 3.4Å; C326-F329 PolarHBondContact O-N 3.16Å; C326-V330 WeakPolarHBondContact O-CG2 3.5Å; C326-V330 PolarHBondContact O-N 3.41Å; C326-V330 VanDerWaalsContact O-N 3.09Å
327	L	96.9	Very high	95.7	Very high	57 Å²	57	32.9 Å²	32.9	30%	0.298	18%	0.179	S	C	.	.	H	α-helix	trans	-61.5	-41.4	174	-177.9	65.1	0	0	0	112	V296 M299 M323 A324 V325 F329 V330 F331	V296-L327 HydrophobicContact CG1-CD1 4.25Å; M299-L327 HydrophobicContact CB-CD1 4.14Å; M299-L327 HydrophobicContact CG-CB 4.08Å; M299-L327 HydrophobicContact CG-CD1 4.07Å; M323-L327 VanDerWaalsContact O-CB 3.27Å; M323-L327 WeakPolarHBondContact O-CB 3.34Å; M323-L327 PolarHBondContact O-N 3.27Å; A324-L327 PolarHBondContact O-N 3.44Å; V325-L327 VanDerWaalsContact C-N 3.32Å; V325-L327 PolarHBondContact O-N 3.24Å; L327-F329 PolarHBondContact O-N 3.5Å; L327-V330 PolarHBondContact O-N 2.94Å; L327-F331 VanDerWaalsContact O-CB 3.24Å; L327-F331 WeakPolarHBondContact O-CB 3.15Å; L327-F331 PolarHBondContact O-N 3.49Å
328	L	97.5	Very high	95.5	Very high	109 Å²	109	34.5 Å²	34.5	57%	0.571	20%	0.196	S	C	*	.	H	α-helix	trans	-60.3	-44.1	176.1	-178.5	68.6	0	0	0	111.7	A324 V325 C326 F331 A332	A324-L328 WeakPolarHBondContact O-CB 3.44Å; A324-L328 PolarHBondContact O-N 3.19Å; V325-L328 WeakPolarHBondContact O-CB 3.34Å; V325-L328 PolarHBondContact O-N 3.04Å; V325-L328 VanDerWaalsContact O-N 3.12Å; C326-L328 VanDerWaalsContact C-N 3.34Å; C326-L328 PolarHBondContact O-N 3.4Å; L328-F331 PolarHBondContact O-N 3.43Å; L328-A332 WeakPolarHBondContact O-CB 3.33Å; L328-A332 PolarHBondContact O-N 3.25Å
329	F	97.4	Very high	95.2	Very high	31 Å²	31	36.1 Å²	36.1	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-45	177.8	-89.5	-85.7	0	0	0	112.4	V271 V325 C326 L327 A332 A333 F426 A429 F430	V271-F329 HydrophobicContact CG1-CB 4.17Å; V325-F329 HydrophobicContact CG1-CD2 3.77Å; V325-F329 HydrophobicContact CG1-CE2 3.69Å; V325-F329 WeakPolarHBondContact O-CD2 3.5Å; V325-F329 PolarHBondContact O-N 2.6Å; C326-F329 PolarHBondContact O-N 3.16Å; L327-F329 PolarHBondContact O-N 3.5Å; F329-A332 PolarHBondContact O-N 3.09Å; F329-A333 PolarHBondContact O-N 3.22Å; F329-F426 HydrophobicContact CD1-CD1 4Å; F329-A429 HydrophobicContact CE1-CB 4.06Å; F329-A429 HydrophobicContact CZ-CB 4Å; F329-F430 HydrophobicContact CD1-CB 4.27Å; F329-F430 HydrophobicContact CD1-CD2 4.36Å; F329-F430 AromaticContact CD2-CD2 3.66Å; F329-F430 HydrophobicContact CD2-CD2 3.66Å; F329-F430 HydrophobicContact CD2-CE2 4.24Å; F329-F430 HydrophobicContact CE1-CB 3.84Å; F329-F430 HydrophobicContact CE1-CD2 4.39Å; F329-F430 HydrophobicContact CE2-CB 4.43Å; F329-F430 AromaticContact CE2-CD2 3.71Å; F329-F430 HydrophobicContact CE2-CD2 3.71Å; F329-F430 HydrophobicContact CG-CD2 4.01Å; F329-F430 HydrophobicContact CZ-CB 3.94Å; F329-F430 HydrophobicContact CZ-CD2 4.08Å
330	V	97.3	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-41.9	178.5	177.3	0	0	0	0	110.9	I270 V271 T295 V296 C326 L327 A333 L334	I270-V330 HydrophobicContact CG2-CG2 4.17Å; V271-V330 HydrophobicContact CG2-CG2 4Å; T295-V330 VanDerWaalsContact C-CG1 3.5Å; T295-V330 VanDerWaalsContact CB-CG1 3.49Å; T295-V330 VanDerWaalsContact OG1-CG1 3.32Å; T295-V330 WeakPolarHBondContact OG1-CG1 3.49Å; V296-V330 HydrophobicContact CB-CG1 4.4Å; V296-V330 HydrophobicContact CG2-CG1 3.72Å; C326-V330 WeakPolarHBondContact O-CG2 3.5Å; C326-V330 PolarHBondContact O-N 3.41Å; C326-V330 VanDerWaalsContact O-N 3.09Å; L327-V330 PolarHBondContact O-N 2.94Å; V330-A333 WeakPolarHBondContact O-CB 3.27Å; V330-A333 PolarHBondContact O-N 2.91Å; V330-L334 PolarHBondContact O-N 3.2Å
331	F	96.8	Very high	94.6	Very high	94 Å²	94	36.3 Å²	36.3	41%	0.412	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-40.1	175.3	-176.7	-109.2	0	0	0	112.2	L327 L328 A333 L334 L335	L327-F331 VanDerWaalsContact O-CB 3.24Å; L327-F331 WeakPolarHBondContact O-CB 3.15Å; L327-F331 PolarHBondContact O-N 3.49Å; L328-F331 PolarHBondContact O-N 3.43Å; F331-A333 VanDerWaalsContact C-N 3.29Å; F331-A333 PolarHBondContact O-N 3.26Å; F331-L334 WeakPolarHBondContact O-CB 3.33Å; F331-L334 PolarHBondContact O-N 3.24Å; F331-L334 VanDerWaalsContact O-N 3.13Å; F331-L335 HydrophobicContact CD1-CD1 3.89Å; F331-L335 HydrophobicContact CD1-CG 4.23Å; F331-L335 HydrophobicContact CE1-CD1 3.48Å; F331-L335 VanDerWaalsContact CE1-CD1 3.48Å; F331-L335 HydrophobicContact CE1-CD2 4.32Å; F331-L335 HydrophobicContact CE1-CG 3.88Å; F331-L335 HydrophobicContact CZ-CD1 4.15Å; F331-L335 HydrophobicContact CZ-CD2 4.15Å; F331-L335 HydrophobicContact CZ-CG 4.13Å; F331-L335 PolarHBondContact O-N 2.97Å
332	A	96.4	Very high	94.2	Very high	31 Å²	31	39 Å²	39	26%	0.256	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-34.3	175.4	0	0	0	0	0	112.1	L328 F329 L334 L335 E336 F426	L328-A332 WeakPolarHBondContact O-CB 3.33Å; L328-A332 PolarHBondContact O-N 3.25Å; F329-A332 PolarHBondContact O-N 3.09Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L335 PolarHBondContact O-N 3.1Å; A332-E336 WeakPolarHBondContact O-CB 3.4Å; A332-E336 PolarHBondContact O-N 3.3Å; A332-F426 HydrophobicContact CB-CE1 3.71Å; A332-F426 HydrophobicContact CB-CZ 3.96Å
333	A	94.6	Very high	93.6	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-36.9	172.8	0	0	0	0	0	112.3	F278 F329 V330 F331 E336 Y337 F426	F278-A333 HydrophobicContact CE1-CB 4.08Å; F278-A333 HydrophobicContact CZ-CB 3.84Å; F329-A333 PolarHBondContact O-N 3.22Å; V330-A333 WeakPolarHBondContact O-CB 3.27Å; V330-A333 PolarHBondContact O-N 2.91Å; F331-A333 VanDerWaalsContact C-N 3.29Å; F331-A333 PolarHBondContact O-N 3.26Å; A333-E336 WeakPolarHBondContact O-CB 3.5Å; A333-Y337 PolarHBondContact O-N 3.41Å; A333-F426 HydrophobicContact CB-CE1 4.37Å
334	L	93.8	Very high	92.9	Very high	37 Å²	37	41.4 Å²	41.4	19%	0.194	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-41.6	173.2	-179.7	64.6	0	0	0	111.9	V296 V330 F331 A332 E336 Y337 A338	V296-L334 HydrophobicContact CG2-CD2 4.39Å; V330-L334 PolarHBondContact O-N 3.2Å; F331-L334 WeakPolarHBondContact O-CB 3.33Å; F331-L334 PolarHBondContact O-N 3.24Å; F331-L334 VanDerWaalsContact O-N 3.13Å; A332-L334 VanDerWaalsContact C-N 3.34Å; L334-E336 VanDerWaalsContact C-N 3.35Å; L334-Y337 PolarHBondContact O-N 3.47Å; L334-A338 PolarHBondContact O-N 3.26Å
335	L	94.2	Very high	92.2	Very high	96 Å²	96	46.2 Å²	46.2	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-37.7	175.7	-72.8	-177.9	0	0	0	112.5	F331 A332 Y337 A338 G339	F331-L335 HydrophobicContact CD1-CD1 3.89Å; F331-L335 HydrophobicContact CD1-CG 4.23Å; F331-L335 HydrophobicContact CE1-CD1 3.48Å; F331-L335 VanDerWaalsContact CE1-CD1 3.48Å; F331-L335 HydrophobicContact CE1-CD2 4.32Å; F331-L335 HydrophobicContact CE1-CG 3.88Å; F331-L335 HydrophobicContact CZ-CD1 4.15Å; F331-L335 HydrophobicContact CZ-CD2 4.15Å; F331-L335 HydrophobicContact CZ-CG 4.13Å; F331-L335 PolarHBondContact O-N 2.97Å; A332-L335 PolarHBondContact O-N 3.1Å; L335-Y337 VanDerWaalsContact C-N 3.33Å; L335-Y337 PolarHBondContact O-N 3.35Å; L335-A338 WeakPolarHBondContact O-CB 3.43Å; L335-A338 PolarHBondContact O-N 3.02Å; L335-G339 PolarHBondContact O-N 3.44Å
336	E	94.4	Very high	91.4	Very high	18 Å²	18	50.3 Å²	50.3	8%	0.084	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-50.4	173.6	-174.3	-78.5	162.1	0	0	110.2	F278 R288 A332 A333 L334 A338 G339 V340 I418 S422 F426	F278-E336 HydrophobicContact CD1-CG 4.44Å; F278-E336 WeakPolarHBondContact CD1-OE2 3.39Å; F278-E336 HydrophobicContact CE1-CB 4.17Å; F278-E336 HydrophobicContact CE1-CG 3.92Å; R288-E336 IonicContact NH2-OE1 3.9Å; R288-E336 IonicContact NH2-OE2 2.82Å; R288-E336 PolarHBondContact NH2-OE2 2.98Å; A332-E336 WeakPolarHBondContact O-CB 3.4Å; A332-E336 PolarHBondContact O-N 3.3Å; A333-E336 WeakPolarHBondContact O-CB 3.5Å; L334-E336 VanDerWaalsContact C-N 3.35Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 2.83Å; E336-G339 PolarHBondContact O-N 2.88Å; E336-G339 VanDerWaalsContact O-N 3.15Å; E336-V340 WeakPolarHBondContact O-CG2 3.39Å; E336-V340 PolarHBondContact O-N 2.71Å; E336-V340 WeakPolarHBondContact OE1-CG2 3.5Å; E336-I418 HydrophobicContact CG-CG2 4.42Å; E336-S422 WeakPolarHBondContact CG-OG 3.37Å; E336-S422 PolarHBondContact OE1-OG 3.39Å; E336-F426 HydrophobicContact CB-CZ 4.49Å
337	Y	90.5	Very high	90.2	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-41.8	176.4	165.7	-101.7	0	0	0	112.1	A285 R288 V289 A333 L334 L335 G339 V340 N341	A285-Y337 WeakPolarHBondContact CA-OH 3.22Å; A285-Y337 WeakPolarHBondContact CB-OH 3.32Å; A285-Y337 PolarHBondContact O-OH 2.95Å; R288-Y337 HydrophobicContact CB-CD1 4.47Å; R288-Y337 HydrophobicContact CB-CD2 3.62Å; R288-Y337 HydrophobicContact CB-CE2 3.69Å; R288-Y337 HydrophobicContact CB-CG 4Å; R288-Y337 HydrophobicContact CG-CD2 4.17Å; R288-Y337 HydrophobicContact CG-CE2 4.33Å; R288-Y337 VanDerWaalsContact NE-CD2 3.32Å; V289-Y337 HydrophobicContact CB-CE1 4.47Å; V289-Y337 HydrophobicContact CG2-CD1 4.11Å; V289-Y337 HydrophobicContact CG2-CE1 3.22Å; A333-Y337 PolarHBondContact O-N 3.41Å; L334-Y337 PolarHBondContact O-N 3.47Å; L335-Y337 VanDerWaalsContact C-N 3.33Å; L335-Y337 PolarHBondContact O-N 3.35Å; Y337-G339 VanDerWaalsContact C-N 3.27Å; Y337-G339 PolarHBondContact O-N 3.13Å; Y337-V340 PolarHBondContact O-N 3.41Å; Y337-N341 HydrophobicContact CE1-CB 4.39Å; Y337-N341 HydrophobicContact CE2-CB 4.11Å; Y337-N341 VanDerWaalsContact O-CB 3.28Å; Y337-N341 WeakPolarHBondContact O-CB 3.5Å; Y337-N341 PolarHBondContact O-N 3.31Å
338	A	90.5	Very high	89.2	Confident	48 Å²	48	53.5 Å²	53.5	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-41.7	176.1	0	0	0	0	0	111.3	L334 L335 E336 F342	L334-A338 PolarHBondContact O-N 3.26Å; L335-A338 WeakPolarHBondContact O-CB 3.43Å; L335-A338 PolarHBondContact O-N 3.02Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 2.83Å; A338-F342 VanDerWaalsContact O-CB 3.27Å; A338-F342 WeakPolarHBondContact O-CB 3.35Å; A338-F342 PolarHBondContact O-N 2.9Å
339	G	89	Confident	88.4	Confident	34 Å²	34	52.5 Å²	52.5	35%	0.351	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-49.4	173.3	0	0	0	0	0	112.8	L335 E336 Y337 N341 F342 V343	L335-G339 PolarHBondContact O-N 3.44Å; E336-G339 PolarHBondContact O-N 2.88Å; E336-G339 VanDerWaalsContact O-N 3.15Å; Y337-G339 VanDerWaalsContact C-N 3.27Å; Y337-G339 PolarHBondContact O-N 3.13Å; G339-N341 PolarHBondContact O-N 3.21Å; G339-F342 PolarHBondContact O-N 2.99Å; G339-V343 VanDerWaalsContact O-CG2 3.31Å; G339-V343 WeakPolarHBondContact O-CG2 3.29Å; G339-V343 PolarHBondContact O-N 3.45Å
340	V	88.1	Confident	87.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-45.1	177.6	172.6	0	0	0	0	111.3	M282 E336 Y337 V343 S344 I418	M282-V340 HydrophobicContact CB-CG1 4.04Å; M282-V340 HydrophobicContact CE-CG1 4.22Å; E336-V340 WeakPolarHBondContact O-CG2 3.39Å; E336-V340 PolarHBondContact O-N 2.71Å; E336-V340 WeakPolarHBondContact OE1-CG2 3.5Å; Y337-V340 PolarHBondContact O-N 3.41Å; V340-V343 PolarHBondContact O-N 2.81Å; V340-S344 VanDerWaalsContact O-CB 3.28Å; V340-S344 WeakPolarHBondContact O-CB 3.39Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-I418 HydrophobicContact CG2-CB 4.21Å; V340-I418 HydrophobicContact CG2-CG2 3.83Å
341	N	87.9	Confident	86.4	Confident	35 Å²	35	57.7 Å²	57.7	19%	0.187	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-39.1	178.5	-176.2	31.2	0	0	0	111.8	Y337 G339 S344 R345	Y337-N341 HydrophobicContact CE1-CB 4.39Å; Y337-N341 HydrophobicContact CE2-CB 4.11Å; Y337-N341 VanDerWaalsContact O-CB 3.28Å; Y337-N341 WeakPolarHBondContact O-CB 3.5Å; Y337-N341 PolarHBondContact O-N 3.31Å; G339-N341 PolarHBondContact O-N 3.21Å; N341-S344 PolarHBondContact O-N 3.4Å; N341-R345 VanDerWaalsContact O-CB 3.31Å; N341-R345 WeakPolarHBondContact O-CB 3.26Å; N341-R345 VanDerWaalsContact O-CG 3.29Å; N341-R345 WeakPolarHBondContact O-CG 3.37Å; N341-R345 PolarHBondContact O-N 3.03Å; N341-R345 PolarHBondContact OD1-NE 3.2Å
342	F	87.8	Confident	85.5	Confident	122 Å²	122	60.1 Å²	60.1	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-48.1	175	178.6	-99.3	0	0	0	111.5	A338 G339 S344 R345 Q346	A338-F342 VanDerWaalsContact O-CB 3.27Å; A338-F342 WeakPolarHBondContact O-CB 3.35Å; A338-F342 PolarHBondContact O-N 2.9Å; G339-F342 PolarHBondContact O-N 2.99Å; F342-S344 VanDerWaalsContact C-N 3.34Å; F342-S344 PolarHBondContact O-N 3.49Å; F342-R345 PolarHBondContact O-N 3.01Å; F342-Q346 HydrophobicContact CD1-CG 4.28Å; F342-Q346 HydrophobicContact CE1-CG 3.86Å; F342-Q346 HydrophobicContact CE2-CG 4.14Å; F342-Q346 HydrophobicContact CZ-CG 3.79Å; F342-Q346 VanDerWaalsContact CZ-NE2 3.31Å; F342-Q346 WeakPolarHBondContact O-CB 3.29Å; F342-Q346 WeakPolarHBondContact O-CG 3.44Å; F342-Q346 PolarHBondContact O-N 3.35Å
343	V	84.4	Confident	84.7	Confident	46 Å²	46	63.1 Å²	63.1	28%	0.279	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-43.3	176.7	174.1	0	0	0	0	110.8	G339 V340 Q347 A415	G339-V343 VanDerWaalsContact O-CG2 3.31Å; G339-V343 WeakPolarHBondContact O-CG2 3.29Å; G339-V343 PolarHBondContact O-N 3.45Å; V340-V343 PolarHBondContact O-N 2.81Å; V343-Q347 WeakPolarHBondContact O-CB 3.45Å; V343-Q347 PolarHBondContact O-N 3.45Å; V343-A415 HydrophobicContact CG1-CB 4.46Å
344	S	81.3	Confident	83.6	Confident	8 Å²	8	65.4 Å²	65.4	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-38.2	176.3	-177.7	0	0	0	0	112.9	V340 N341 F342 Q347 K348	V340-S344 VanDerWaalsContact O-CB 3.28Å; V340-S344 WeakPolarHBondContact O-CB 3.39Å; V340-S344 PolarHBondContact O-N 2.88Å; N341-S344 PolarHBondContact O-N 3.4Å; F342-S344 VanDerWaalsContact C-N 3.34Å; F342-S344 PolarHBondContact O-N 3.49Å; S344-Q347 WeakPolarHBondContact O-CB 3.41Å; S344-Q347 PolarHBondContact O-N 3.28Å; S344-K348 WeakPolarHBondContact O-CG 3.42Å; S344-K348 PolarHBondContact O-N 2.88Å
345	R	82	Confident	82.8	Confident	157 Å²	157	71.1 Å²	71.1	59%	0.592	33%	0.334	S	S	*	.	H	α-helix	trans	-71.5	-46.1	177	-78.6	-179.9	176.2	-130.7	0.6	112.5	N341 F342 Q347 K348 E349	N341-R345 VanDerWaalsContact O-CB 3.31Å; N341-R345 WeakPolarHBondContact O-CB 3.26Å; N341-R345 VanDerWaalsContact O-CG 3.29Å; N341-R345 WeakPolarHBondContact O-CG 3.37Å; N341-R345 PolarHBondContact O-N 3.03Å; N341-R345 PolarHBondContact OD1-NE 3.2Å; F342-R345 PolarHBondContact O-N 3.01Å; R345-Q347 PolarHBondContact O-N 3.42Å; R345-K348 PolarHBondContact O-N 3.26Å; R345-E349 PolarHBondContact O-N 2.78Å
346	Q	80.2	Confident	82	Confident	118 Å²	118	74.6 Å²	74.6	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-55.4	-39.2	172.8	-76.5	-133.2	-29.5	0	0	110.9	F342 E349 F350	F342-Q346 HydrophobicContact CD1-CG 4.28Å; F342-Q346 HydrophobicContact CE1-CG 3.86Å; F342-Q346 HydrophobicContact CE2-CG 4.14Å; F342-Q346 HydrophobicContact CZ-CG 3.79Å; F342-Q346 VanDerWaalsContact CZ-NE2 3.31Å; F342-Q346 WeakPolarHBondContact O-CB 3.29Å; F342-Q346 WeakPolarHBondContact O-CG 3.44Å; F342-Q346 PolarHBondContact O-N 3.35Å; Q346-E349 PolarHBondContact O-N 2.67Å; Q346-F350 WeakPolarHBondContact O-CB 3.19Å; Q346-F350 PolarHBondContact O-N 3.49Å
347	Q	73.6	Confident	81.1	Confident	23 Å²	23	80.2 Å²	80.2	11%	0.107	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-48.7	173.5	-179.5	-179.9	7.8	0	0	112.4	V343 S344 R345 E349 F350 L351 R408 F411	V343-Q347 WeakPolarHBondContact O-CB 3.45Å; V343-Q347 PolarHBondContact O-N 3.45Å; S344-Q347 WeakPolarHBondContact O-CB 3.41Å; S344-Q347 PolarHBondContact O-N 3.28Å; R345-Q347 PolarHBondContact O-N 3.42Å; Q347-E349 VanDerWaalsContact C-N 3.31Å; Q347-E349 PolarHBondContact O-N 2.95Å; Q347-F350 PolarHBondContact O-N 3.13Å; Q347-L351 HydrophobicContact CG-CD1 3.78Å; Q347-L351 WeakPolarHBondContact O-CD1 3.24Å; Q347-L351 PolarHBondContact O-N 3.49Å; Q347-R408 PolarHBondContact NE2-O 3.18Å; Q347-R408 VanDerWaalsContact NE2-O 3.17Å; Q347-F411 HydrophobicContact CG-CB 4.46Å
348	K	76.3	Confident	80.1	Confident	101 Å²	101	83.8 Å²	83.8	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-59.2	-41.5	178	-74.9	174.4	-176	174	0	111.5	D283 S344 R345 R352	D283-K348 IonicContact OD1-NZ 3.19Å; D283-K348 PolarHBondContact OD1-NZ 2.64Å; S344-K348 WeakPolarHBondContact O-CG 3.42Å; S344-K348 PolarHBondContact O-N 2.88Å; R345-K348 PolarHBondContact O-N 3.26Å; K348-R352 WeakPolarHBondContact O-CB 3.47Å; K348-R352 WeakPolarHBondContact O-CG 3.38Å; K348-R352 PolarHBondContact O-N 3.43Å
349	E	80.6	Confident	79.1	Confident	88 Å²	88	90.4 Å²	90.4	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-70.4	-45.3	178.3	-74.1	-57.3	129.3	0	0	113.2	R345 Q346 Q347 L351 R352 L353	R345-E349 PolarHBondContact O-N 2.78Å; Q346-E349 PolarHBondContact O-N 2.67Å; Q347-E349 VanDerWaalsContact C-N 3.31Å; Q347-E349 PolarHBondContact O-N 2.95Å; E349-L351 VanDerWaalsContact C-N 3.3Å; E349-L351 PolarHBondContact O-N 3.35Å; E349-R352 WeakPolarHBondContact O-CB 3.5Å; E349-R352 PolarHBondContact O-N 3.48Å; E349-R352 WeakPolarHBondContact OE1-CD 3.49Å; E349-R352 IonicContact OE1-CZ 3.73Å; E349-R352 IonicContact OE1-NE 3.99Å; E349-R352 IonicContact OE1-NH1 2.76Å; E349-R352 PolarHBondContact OE1-NH1 3.34Å; E349-L353 WeakPolarHBondContact O-CG 3.32Å; E349-L353 PolarHBondContact O-N 2.72Å
350	F	77.4	Confident	78.2	Confident	112 Å²	112	93.2 Å²	93.2	49%	0.491	40%	0.402	S	S	.	.	H	α-helix	trans	-58.8	-42	175.7	-177.9	-100.1	0	0	0	111.9	Q346 Q347 R354	Q346-F350 WeakPolarHBondContact O-CB 3.19Å; Q346-F350 PolarHBondContact O-N 3.49Å; Q347-F350 PolarHBondContact O-N 3.13Å; F350-R354 WeakPolarHBondContact O-CB 3.32Å; F350-R354 PolarHBondContact O-N 3.06Å; F350-R354 VanDerWaalsContact O-N 3.16Å
351	L	73.8	Confident	77.2	Confident	28 Å²	28	98.5 Å²	98.5	15%	0.147	43%	0.426	C	S	.	.	H	α-helix	trans	-66.2	-36.6	174.5	-88.9	88.2	0	0	0	112.6	Q347 E349 R355 R408	Q347-L351 HydrophobicContact CG-CD1 3.78Å; Q347-L351 WeakPolarHBondContact O-CD1 3.24Å; Q347-L351 PolarHBondContact O-N 3.49Å; E349-L351 VanDerWaalsContact C-N 3.3Å; E349-L351 PolarHBondContact O-N 3.35Å; L351-R355 WeakPolarHBondContact O-CB 3.42Å; L351-R355 VanDerWaalsContact O-CG 3.24Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-N 2.97Å; L351-R408 HydrophobicContact CD2-CB 4.31Å; L351-R408 HydrophobicContact CD2-CG 3.95Å
352	R	79.6	Confident	76.1	Confident	144 Å²	144	104.4 Å²	104.4	54%	0.543	45%	0.45	S	S	.	.	H	α-helix	trans	-65.5	-47.7	177	-78.6	168.3	175.3	-174	-4.8	111.8	K348 E349 R354 R355 R356	K348-R352 WeakPolarHBondContact O-CB 3.47Å; K348-R352 WeakPolarHBondContact O-CG 3.38Å; K348-R352 PolarHBondContact O-N 3.43Å; E349-R352 WeakPolarHBondContact O-CB 3.5Å; E349-R352 PolarHBondContact O-N 3.48Å; E349-R352 WeakPolarHBondContact OE1-CD 3.49Å; E349-R352 IonicContact OE1-CZ 3.73Å; E349-R352 IonicContact OE1-NE 3.99Å; E349-R352 IonicContact OE1-NH1 2.76Å; E349-R352 PolarHBondContact OE1-NH1 3.34Å; R352-R354 PolarHBondContact O-N 3.06Å; R352-R355 PolarHBondContact O-N 3.46Å; R352-R356 PolarHBondContact O-N 3.14Å
353	L	79.4	Confident	74.8	Confident	95 Å²	95	104.9 Å²	104.9	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-43.8	179	-70.4	171.2	0	0	0	111.7	E349 R355 R356 Q357	E349-L353 WeakPolarHBondContact O-CG 3.32Å; E349-L353 PolarHBondContact O-N 2.72Å; L353-R355 PolarHBondContact O-N 3.21Å; L353-R356 WeakPolarHBondContact O-CB 3.33Å; L353-R356 PolarHBondContact O-N 3.49Å; L353-Q357 PolarHBondContact O-N 3.29Å
354	R	71.3	Confident	73.6	Confident	51 Å²	51	107.9 Å²	107.9	19%	0.192	47%	0.468	C	S	.	.	H	α-helix	trans	-70.8	-31.1	178.7	-159.8	171.2	172.9	-170.5	-3	113.1	F350 R352 R358 S399 I404	F350-R354 WeakPolarHBondContact O-CB 3.32Å; F350-R354 PolarHBondContact O-N 3.06Å; F350-R354 VanDerWaalsContact O-N 3.16Å; R352-R354 PolarHBondContact O-N 3.06Å; R354-R358 PolarHBondContact O-N 2.78Å; R354-S399 PolarHBondContact NH2-OG 3Å; R354-I404 HydrophobicContact CG-CD1 4.33Å
355	R	76.1	Confident	72.3	Confident	157 Å²	157	112.9 Å²	112.9	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-65.7	-38.3	169.7	-78.1	174.9	-178.2	-169.1	-0	112	L351 R352 L353 R358 R359	L351-R355 WeakPolarHBondContact O-CB 3.42Å; L351-R355 VanDerWaalsContact O-CG 3.24Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-N 2.97Å; R352-R355 PolarHBondContact O-N 3.46Å; L353-R355 PolarHBondContact O-N 3.21Å; R355-R358 PolarHBondContact O-N 3.3Å; R355-R359 PolarHBondContact O-N 2.86Å
356	R	78.1	Confident	71	Confident	169 Å²	169	107.4 Å²	107.4	64%	0.638	48%	0.484	S	S	*	.	H	α-helix	trans	-63.7	-47.6	173.3	-73	178.4	176.3	176.8	-1.3	111.3	R352 L353 R358 R359 N360	R352-R356 PolarHBondContact O-N 3.14Å; L353-R356 WeakPolarHBondContact O-CB 3.33Å; L353-R356 PolarHBondContact O-N 3.49Å; R356-R358 VanDerWaalsContact C-N 3.31Å; R356-R358 PolarHBondContact O-N 3.05Å; R356-R359 PolarHBondContact O-N 3.36Å; R356-N360 PolarHBondContact O-N 2.95Å; R356-N360 PolarHBondContact O-OD1 3.38Å
357	Q	75.6	Confident	69.7	Low	135 Å²	135	111.1 Å²	111.1	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-56.9	-41.9	175.1	-73.4	175.7	-18.3	0	0	112.7	L353 N360 H361	L353-Q357 PolarHBondContact O-N 3.29Å; Q357-N360 PolarHBondContact O-N 2.87Å; Q357-H361 WeakPolarHBondContact O-CB 3.44Å; Q357-H361 PolarHBondContact O-N 2.82Å
358	R	68.6	Low	68.6	Low	87 Å²	87	117.9 Å²	117.9	33%	0.328	52%	0.522	S	S	.	.	H	α-helix	trans	-66.7	-33	175	-81	-173.8	171.9	-177.6	-0.8	113.7	R354 R355 R356 K362 S399 T400	R354-R358 PolarHBondContact O-N 2.78Å; R355-R358 PolarHBondContact O-N 3.3Å; R356-R358 VanDerWaalsContact C-N 3.31Å; R356-R358 PolarHBondContact O-N 3.05Å; R358-K362 PolarHBondContact O-N 3.36Å; R358-S399 PolarHBondContact NH2-O 3.32Å; R358-T400 PolarHBondContact NH2-O 3.5Å
359	R	71	Confident	67.2	Low	187 Å²	187	119 Å²	119	71%	0.706	53%	0.532	S	S	*	.	H	α-helix	trans	-67.7	-47.7	174.1	-90	-174.6	174.2	-179.4	-3.7	110.7	R355 R356 H361 K362 E363	R355-R359 PolarHBondContact O-N 2.86Å; R356-R359 PolarHBondContact O-N 3.36Å; R359-H361 VanDerWaalsContact C-N 3.31Å; R359-H361 PolarHBondContact O-N 3.38Å; R359-K362 PolarHBondContact O-N 3.25Å; R359-K362 VanDerWaalsContact O-N 3.09Å; R359-E363 PolarHBondContact O-N 2.89Å
360	N	69.1	Low	65.6	Low	94 Å²	94	121.8 Å²	121.8	50%	0.503	55%	0.55	S	S	.	.	H	α-helix	trans	-60.1	-41.8	178.3	-65.7	17.4	0	0	0	111.5	R356 Q357 K362 E363 D364	R356-N360 PolarHBondContact O-N 2.95Å; R356-N360 PolarHBondContact O-OD1 3.38Å; Q357-N360 PolarHBondContact O-N 2.87Å; N360-K362 VanDerWaalsContact C-N 3.33Å; N360-K362 PolarHBondContact O-N 3.36Å; N360-E363 PolarHBondContact O-N 3.15Å; N360-D364 PolarHBondContact O-N 2.86Å
361	H	66.6	Low	64	Low	111 Å²	111	121.9 Å²	121.9	51%	0.514	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-32.8	176.5	-164.9	-63.9	0	0	0	113.3	Q357 R359 E365	Q357-H361 WeakPolarHBondContact O-CB 3.44Å; Q357-H361 PolarHBondContact O-N 2.82Å; R359-H361 VanDerWaalsContact C-N 3.31Å; R359-H361 PolarHBondContact O-N 3.38Å; H361-E365 IonicContact CE1-OE1 3.69Å; H361-E365 PolarHBondContact O-N 2.92Å; H361-E365 VanDerWaalsContact O-N 3.12Å
362	K	65.6	Low	62.5	Low	159 Å²	159	123.5 Å²	123.5	69%	0.691	58%	0.583	S	S	*	*	H	α-helix	trans	-73.9	-33.6	174.2	-81	-173.3	173.1	-165.9	0	112.6	R358 R359 N360 G366	R358-K362 PolarHBondContact O-N 3.36Å; R359-K362 PolarHBondContact O-N 3.25Å; R359-K362 VanDerWaalsContact O-N 3.09Å; N360-K362 VanDerWaalsContact C-N 3.33Å; N360-K362 PolarHBondContact O-N 3.36Å; K362-G366 PolarHBondContact O-N 3.18Å
363	E	60.3	Low	60.7	Low	132 Å²	132	126.6 Å²	126.6	62%	0.617	60%	0.596	S	S	*	*	H	α-helix	trans	-69.7	-38.8	174.7	-75.8	176.4	178.9	0	0	111.4	R359 N360 G366 R367	R359-E363 PolarHBondContact O-N 2.89Å; N360-E363 PolarHBondContact O-N 3.15Å; E363-G366 PolarHBondContact O-N 2.96Å; E363-R367 WeakPolarHBondContact O-CB 3.38Å; E363-R367 PolarHBondContact O-N 3.01Å
364	D	58.1	Low	58.8	Low	110 Å²	110	129.7 Å²	129.7	59%	0.588	61%	0.613	S	S	*	*	H	α-helix	trans	-67.4	-41.9	174.3	-78.8	-26.5	0	0	0	112.7	N360 G366 R367 F368	N360-D364 PolarHBondContact O-N 2.86Å; D364-G366 VanDerWaalsContact C-N 3.34Å; D364-G366 PolarHBondContact O-N 3.13Å; D364-R367 PolarHBondContact O-N 2.8Å; D364-F368 PolarHBondContact O-N 3.41Å
365	E	55.1	Low	57.1	Low	112 Å²	112	135.8 Å²	135.8	52%	0.523	65%	0.646	S	S	.	*	H	α-helix	trans	-64.1	-37.2	171.9	-81.6	-175.8	156.3	0	0	112.3	H361 F368 N369	H361-E365 IonicContact CE1-OE1 3.69Å; H361-E365 PolarHBondContact O-N 2.92Å; H361-E365 VanDerWaalsContact O-N 3.12Å; E365-F368 PolarHBondContact O-N 2.85Å; E365-N369 PolarHBondContact O-N 3.34Å; E365-N369 PolarHBondContact O-ND2 3.28Å
366	G	54.4	Low	55	Low	43 Å²	43	133.3 Å²	133.3	44%	0.443	65%	0.653	S	S	.	*	H	α-helix	trans	-66.5	-34.8	175.1	0	0	0	0	0	113.1	K362 E363 D364 L370	K362-G366 PolarHBondContact O-N 3.18Å; E363-G366 PolarHBondContact O-N 2.96Å; D364-G366 VanDerWaalsContact C-N 3.34Å; D364-G366 PolarHBondContact O-N 3.13Å; G366-L370 PolarHBondContact O-N 3.36Å
367	R	53.6	Low	52.6	Low	196 Å²	196	133.4 Å²	133.4	74%	0.74	66%	0.66	S	S	*	*	H	α-helix	trans	-72	-37.9	175.8	-124	176.2	172.8	-179.2	-3.1	112.3	E363 D364 N369 L370 T371	E363-R367 WeakPolarHBondContact O-CB 3.38Å; E363-R367 PolarHBondContact O-N 3.01Å; D364-R367 PolarHBondContact O-N 2.8Å; R367-N369 VanDerWaalsContact C-N 3.33Å; R367-L370 PolarHBondContact O-N 3.23Å; R367-T371 PolarHBondContact O-OG1 2.82Å
368	F	49	Very low	50.3	Low	164 Å²	164	132.5 Å²	132.5	72%	0.719	67%	0.668	S	S	*	*	H	α-helix	trans	-67.7	-33	177.2	-154.3	-95.7	0	0	0	112.5	D364 E365 T371	D364-F368 PolarHBondContact O-N 3.41Å; E365-F368 PolarHBondContact O-N 2.85Å; F368-T371 PolarHBondContact O-OG1 3Å
369	N	47.9	Very low	48.3	Very low	124 Å²	124	136.7 Å²	136.7	66%	0.663	69%	0.693	S	S	*	*	H	α-helix	trans	-75.6	-19.1	175.8	-72.6	-18.4	0	0	0	114	E365 R367	E365-N369 PolarHBondContact O-N 3.34Å; E365-N369 PolarHBondContact O-ND2 3.28Å; R367-N369 VanDerWaalsContact C-N 3.33Å
370	L	45.8	Very low	47.1	Very low	148 Å²	148	132.6 Å²	132.6	78%	0.775	69%	0.691	S	S	*	*	H	α-helix	trans	-85.7	-17.4	178.4	-164.3	67.2	0	0	0	113	G366 R367 G372	G366-L370 PolarHBondContact O-N 3.36Å; R367-L370 PolarHBondContact O-N 3.23Å; L370-G372 VanDerWaalsContact C-N 3.32Å
371	T	45	Very low	45	Very low	113 Å²	113	134.7 Å²	134.7	69%	0.693	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	0	173.4	38.7	0	0	0	0	113.9	R367 F368	R367-T371 PolarHBondContact O-OG1 2.82Å; F368-T371 PolarHBondContact O-OG1 3Å
372	G	41.3	Very low	43.2	Very low	62 Å²	62	137.4 Å²	137.4	64%	0.639	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-4.7	-177.3	0	0	0	0	0	116.4	L370	L370-G372 VanDerWaalsContact C-N 3.32Å
373	Y	43	Very low	41.3	Very low	210 Å²	210	136.5 Å²	136.5	82%	0.824	72%	0.72	S	S	*	*	S	Bend	trans	-115.4	62.8	179	-83.5	-85.9	0	0	0	111.4
374	N	40	Very low	39.7	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	72%	0.723	S	S	*	*	S	Bend	trans	178.8	88.3	150.2	-95	-13.9	0	0	0	109.7
375	M	35.2	Very low	38.2	Very low	180 Å²	180	133.8 Å²	133.8	89%	0.887	74%	0.735	S	S	*	*			trans	-178.3	94	131.7	-158	76.2	77.9	0	0	107.7
376	S	32.1	Very low	37	Very low	105 Å²	105	132.6 Å²	132.6	73%	0.734	74%	0.744	S	S	*	*			trans	-62.2	130.8	152.7	43.6	0	0	0	0	108.3
377	Q	27.9	Very low	36	Very low	170 Å²	170	136.2 Å²	136.2	79%	0.794	76%	0.758	S	S	*	*				146	114.6	117.2	-154.3	155.1	15.5	0	0	113.6
378	C	26.8	Very low	34.8	Very low	117 Å²	117	135.9 Å²	135.9	79%	0.791	76%	0.761	S	S	*	*			trans	72.6	118.4	150.3	-61.7	0	0	0	0	122
379	M	25.8	Very low	34.3	Very low	175 Å²	175	136 Å²	136	86%	0.862	77%	0.77	S	S	*	*			trans	-105.5	172.5	144.5	-85.4	-74.4	-97.9	0	0	107.8
380	P	46	Very low	33.5	Very low	101 Å²	101	134.9 Å²	134.9	66%	0.656	78%	0.777	S	S	*	*			cis	-138.5	169.7	0.7	29	-7.1	0	0	0	115
381	T	26	Very low	33.1	Very low	137 Å²	137	134 Å²	134	84%	0.84	78%	0.778	S	S	*	*			trans	165.6	145.8	135.8	44.8	0	0	0	0	107.9
382	K	28.3	Very low	32.7	Very low	168 Å²	168	134.4 Å²	134.4	73%	0.73	78%	0.782	S	S	*	*			cis	-174.7	156.7	-12.3	-172.7	-168.3	167.1	-173.8	0	103.1
383	D	25.5	Very low	32.4	Very low	140 Å²	140	135.5 Å²	135.5	75%	0.749	79%	0.786	S	S	*	*			trans	82.8	135.7	163.8	-59.5	-38.9	0	0	0	119.2
384	G	27.9	Very low	32	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	79%	0.787	S	S	*	*			trans	129.1	77.6	151.4	0	0	0	0	0	118.3
385	S	26.1	Very low	31.7	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	78%	0.783	S	S	*	*			trans	58.5	126.6	134.1	54.3	0	0	0	0	122.6
386	A	29.3	Very low	32	Very low	87 Å²	87	128.8 Å²	128.8	72%	0.719	78%	0.779	S	S	*	*				93.9	107.5	128.3	0	0	0	0	0	121.1
387	V	32.8	Very low	32.1	Very low	120 Å²	120	132.3 Å²	132.3	73%	0.727	78%	0.784	S	S	*	*				96.5	130.5	119.3	175	0	0	0	0	119.6
388	K	30.1	Very low	32.9	Very low	189 Å²	189	129.8 Å²	129.8	82%	0.822	78%	0.782	S	S	*	*			trans	91.9	100.4	154.1	-86.2	161.3	-167.2	-179.7	0	119.8
389	N	37.4	Very low	33.7	Very low	167 Å²	167	126.5 Å²	126.5	89%	0.893	76%	0.761	S	S	*	*			trans	10.1	114.5	134.7	-63.2	-10.3	0	0	0	117.2
390	A	32.1	Very low	34.8	Very low	99 Å²	99	121.7 Å²	121.7	82%	0.818	74%	0.741	S	S	*	*			trans	-141.7	124.7	150.4	0	0	0	0	0	109.3
391	V	37	Very low	35.2	Very low	131 Å²	131	121.2 Å²	121.2	79%	0.794	74%	0.738	S	S	*	*			trans	-47.9	143.2	172.7	179.7	0	0	0	0	110.5	A393	V391-A393 PolarHBondContact O-N 3.41Å
392	P	36	Very low	36.5	Very low	120 Å²	120	123 Å²	123	78%	0.779	73%	0.734	S	S	*	*			trans	-66.7	107.2	170	-1.6	16	0	0	0	108	T394	P392-T394 PolarHBondContact O-N 2.99Å; P392-T394 VanDerWaalsContact O-N 3.13Å
393	A	34.2	Very low	38	Very low	86 Å²	86	119 Å²	119	71%	0.711	72%	0.721	S	S	*	*			trans	-61.2	113.8	166.3	0	0	0	0	0	107.7	V391 N395	V391-A393 PolarHBondContact O-N 3.41Å; A393-N395 PolarHBondContact O-N 3.07Å
394	T	34.6	Very low	39.5	Very low	139 Å²	139	113.6 Å²	113.6	85%	0.853	69%	0.692	S	S	*	*			trans	-56.3	102.6	169.6	-10.8	0	0	0	0	108.2	P392	P392-T394 PolarHBondContact O-N 2.99Å; P392-T394 VanDerWaalsContact O-N 3.13Å
395	N	34.7	Very low	41.2	Very low	145 Å²	145	115.1 Å²	115.1	78%	0.775	68%	0.684	S	S	*	*			trans	-54.2	126.6	168.4	-85	-19.6	0	0	0	108.7	A393 Q397	A393-N395 PolarHBondContact O-N 3.07Å; N395-Q397 PolarHBondContact O-N 2.98Å
396	P	40.8	Very low	43.1	Very low	124 Å²	124	111.6 Å²	111.6	81%	0.805	66%	0.662	S	S	*	*			trans	-66.5	108.2	165.8	-5.9	20.3	0	0	0	107
397	Q	35.5	Very low	44.7	Very low	179 Å²	179	110.7 Å²	110.7	84%	0.836	64%	0.644	S	S	*	*			trans	-50.8	141.3	173.5	-85	-173.1	-46.7	0	0	110.6	N395 S399	N395-Q397 PolarHBondContact O-N 2.98Å; Q397-S399 PolarHBondContact O-N 3.41Å
398	P	43.9	Very low	46.3	Very low	116 Å²	116	110.3 Å²	110.3	75%	0.753	63%	0.63	S	S	*	*			trans	-62.8	110.2	175.4	23.8	-30.7	0	0	0	109.7	T400	P398-T400 PolarHBondContact O-N 3.04Å
399	S	43.9	Very low	48.1	Very low	49 Å²	49	108.2 Å²	108.2	34%	0.343	62%	0.621	S	S	.	*			trans	-47.9	125	174.7	53.3	0	0	0	0	111.3	R354 R358 Q397	R354-S399 PolarHBondContact NH2-OG 3Å; R358-S399 PolarHBondContact NH2-O 3.32Å; Q397-S399 PolarHBondContact O-N 3.41Å
400	T	48.1	Very low	49.6	Very low	73 Å²	73	107.7 Å²	107.7	45%	0.448	61%	0.61	S	S	.	*			trans	-62.9	160.6	-175.7	63.1	0	0	0	0	112.1	R358 P398 K402 D403	R358-T400 PolarHBondContact NH2-O 3.5Å; P398-T400 PolarHBondContact O-N 3.04Å; T400-K402 PolarHBondContact O-N 2.99Å; T400-D403 PolarHBondContact O-N 3.32Å; T400-D403 PolarHBondContact OG1-OD2 3.42Å
401	P	54.1	Low	51.2	Low	91 Å²	91	107 Å²	107	59%	0.591	59%	0.589	S	S	*	*	H	α-helix	trans	-54.3	-33.2	174.7	-15.2	17.9	0	0	0	113.4	D403 I404 D405	P401-D403 VanDerWaalsContact C-N 3.33Å; P401-D403 PolarHBondContact O-N 2.9Å; P401-I404 PolarHBondContact O-N 2.91Å; P401-D405 PolarHBondContact O-N 2.92Å
402	K	53.1	Low	52.8	Low	175 Å²	175	102.6 Å²	102.6	76%	0.761	56%	0.562	S	S	*	*	H	α-helix	trans	-62.6	-33	-179.3	-72	179.1	176.7	177.1	0	113.4	T400 A406	T400-K402 PolarHBondContact O-N 2.99Å; K402-A406 WeakPolarHBondContact O-CB 3.32Å; K402-A406 PolarHBondContact O-N 3.43Å
403	D	59.7	Low	54.6	Low	83 Å²	83	100.8 Å²	100.8	44%	0.444	55%	0.546	S	S	.	.	H	α-helix	trans	-71.7	-29.5	179.4	-74	-45.9	0	0	0	113.5	T400 P401 M407	T400-D403 PolarHBondContact O-N 3.32Å; T400-D403 PolarHBondContact OG1-OD2 3.42Å; P401-D403 VanDerWaalsContact C-N 3.33Å; P401-D403 PolarHBondContact O-N 2.9Å; D403-M407 PolarHBondContact O-N 3.48Å
404	I	58.3	Low	56.6	Low	28 Å²	28	104.5 Å²	104.5	14%	0.144	54%	0.542	C	S	.	.	H	α-helix	trans	-75.2	-41.1	178.2	-64.6	-156.5	0	0	0	110.8	R354 P401 A406 M407 R408	R354-I404 HydrophobicContact CG-CD1 4.33Å; P401-I404 PolarHBondContact O-N 2.91Å; I404-A406 VanDerWaalsContact C-N 3.34Å; I404-M407 PolarHBondContact O-N 3.23Å; I404-R408 VanDerWaalsContact O-CB 3.29Å; I404-R408 WeakPolarHBondContact O-CB 3.43Å; I404-R408 PolarHBondContact O-N 2.96Å
405	D	63.4	Low	58.5	Low	98 Å²	98	97.9 Å²	97.9	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-36.1	176.1	-68.8	-35.7	0	0	0	111.3	P401 R408 K409	P401-D405 PolarHBondContact O-N 2.92Å; D405-R408 PolarHBondContact O-N 3.03Å; D405-K409 VanDerWaalsContact O-CB 3.32Å; D405-K409 WeakPolarHBondContact O-CB 3.34Å; D405-K409 PolarHBondContact O-N 3.45Å
406	A	66.4	Low	60.6	Low	45 Å²	45	96.5 Å²	96.5	37%	0.372	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-44.4	173.3	0	0	0	0	0	112.7	K402 I404 K409 K410	K402-A406 WeakPolarHBondContact O-CB 3.32Å; K402-A406 PolarHBondContact O-N 3.43Å; I404-A406 VanDerWaalsContact C-N 3.34Å; A406-K409 PolarHBondContact O-N 2.86Å; A406-K410 WeakPolarHBondContact O-CG 3.16Å; A406-K410 PolarHBondContact O-N 3.15Å
407	M	63.4	Low	62.7	Low	67 Å²	67	99 Å²	99	33%	0.33	48%	0.481	S	S	.	.	H	α-helix	trans	-66.5	-43.8	173.8	-91.3	-149.2	-77.3	0	0	112	D403 I404 K409 K410 F411	D403-M407 PolarHBondContact O-N 3.48Å; I404-M407 PolarHBondContact O-N 3.23Å; M407-K409 PolarHBondContact O-N 3.1Å; M407-K410 PolarHBondContact O-N 3.22Å; M407-F411 HydrophobicContact CB-CD2 4.45Å; M407-F411 HydrophobicContact CB-CE2 4.28Å; M407-F411 HydrophobicContact CG-CE2 4.32Å; M407-F411 WeakPolarHBondContact O-CD2 3.48Å; M407-F411 PolarHBondContact O-N 3.09Å; M407-F411 VanDerWaalsContact O-N 3.1Å; M407-F411 HydrophobicContact SD-CE2 3.99Å
408	R	65.1	Low	65.1	Low	113 Å²	113	93.3 Å²	93.3	43%	0.426	46%	0.456	S	S	.	.	H	α-helix	trans	-54.7	-44.7	175.9	-174.4	-177.1	-177.2	179.1	-3.3	110.9	Q347 L351 I404 D405 F411 V412	Q347-R408 PolarHBondContact NE2-O 3.18Å; Q347-R408 VanDerWaalsContact NE2-O 3.17Å; L351-R408 HydrophobicContact CD2-CB 4.31Å; L351-R408 HydrophobicContact CD2-CG 3.95Å; I404-R408 VanDerWaalsContact O-CB 3.29Å; I404-R408 WeakPolarHBondContact O-CB 3.43Å; I404-R408 PolarHBondContact O-N 2.96Å; D405-R408 PolarHBondContact O-N 3.03Å; R408-F411 PolarHBondContact O-N 3.27Å; R408-V412 WeakPolarHBondContact O-CG2 3.4Å; R408-V412 PolarHBondContact O-N 3.38Å
409	K	68.6	Low	67.1	Low	145 Å²	145	88.2 Å²	88.2	63%	0.63	42%	0.423	S	S	*	.	H	α-helix	trans	-62.1	-50.8	177.6	-162.2	175.1	-179.8	-177.5	0	111.5	D405 A406 M407 F411 V412 D413	D405-K409 VanDerWaalsContact O-CB 3.32Å; D405-K409 WeakPolarHBondContact O-CB 3.34Å; D405-K409 PolarHBondContact O-N 3.45Å; A406-K409 PolarHBondContact O-N 2.86Å; M407-K409 PolarHBondContact O-N 3.1Å; K409-F411 VanDerWaalsContact C-N 3.27Å; K409-F411 PolarHBondContact O-N 3.17Å; K409-V412 PolarHBondContact O-N 3.26Å; K409-D413 WeakPolarHBondContact O-CB 3.47Å; K409-D413 PolarHBondContact O-N 3.31Å; K409-D413 VanDerWaalsContact O-OD2 3.12Å
410	K	68.9	Low	69.3	Low	155 Å²	155	89.9 Å²	89.9	67%	0.674	43%	0.431	S	S	*	.	H	α-helix	trans	-54.4	-37.8	177.2	-75.1	-179.8	-179.9	-177.5	0	113.9	A406 M407 R414	A406-K410 WeakPolarHBondContact O-CG 3.16Å; A406-K410 PolarHBondContact O-N 3.15Å; M407-K410 PolarHBondContact O-N 3.22Å; K410-R414 PolarHBondContact O-N 3.05Å; K410-R414 VanDerWaalsContact O-N 3.15Å
411	F	66.3	Low	71.4	Confident	84 Å²	84	91 Å²	91	37%	0.368	43%	0.433	S	S	.	.	H	α-helix	trans	-82.7	-36	-179.8	-68.9	-69.9	0	0	0	113.6	Q347 M407 R408 K409 D413 R414 A415	Q347-F411 HydrophobicContact CG-CB 4.46Å; M407-F411 HydrophobicContact CB-CD2 4.45Å; M407-F411 HydrophobicContact CB-CE2 4.28Å; M407-F411 HydrophobicContact CG-CE2 4.32Å; M407-F411 WeakPolarHBondContact O-CD2 3.48Å; M407-F411 PolarHBondContact O-N 3.09Å; M407-F411 VanDerWaalsContact O-N 3.1Å; M407-F411 HydrophobicContact SD-CE2 3.99Å; R408-F411 PolarHBondContact O-N 3.27Å; K409-F411 VanDerWaalsContact C-N 3.27Å; K409-F411 PolarHBondContact O-N 3.17Å; F411-D413 VanDerWaalsContact C-N 3.27Å; F411-D413 PolarHBondContact O-N 3.46Å; F411-R414 WeakPolarHBondContact O-CB 3.32Å; F411-R414 PolarHBondContact O-N 2.98Å; F411-R414 VanDerWaalsContact O-N 3.17Å; F411-A415 PolarHBondContact O-N 2.87Å; F411-A415 VanDerWaalsContact O-N 3.09Å
412	V	69.9	Low	73.3	Confident	40 Å²	40	87.2 Å²	87.2	24%	0.242	41%	0.409	C	S	.	.	H	α-helix	trans	-61.3	-41.4	169.3	172.4	0	0	0	0	110.1	R408 K409 R414 A415 K416	R408-V412 WeakPolarHBondContact O-CG2 3.4Å; R408-V412 PolarHBondContact O-N 3.38Å; K409-V412 PolarHBondContact O-N 3.26Å; V412-R414 PolarHBondContact O-N 3.39Å; V412-A415 PolarHBondContact O-N 3.21Å; V412-K416 HydrophobicContact CG1-CD 3.98Å; V412-K416 HydrophobicContact CG1-CG 4.3Å; V412-K416 WeakPolarHBondContact O-CB 3.5Å; V412-K416 WeakPolarHBondContact O-CG 3.35Å; V412-K416 PolarHBondContact O-N 3.49Å
413	D	74.6	Confident	75.2	Confident	81 Å²	81	83 Å²	83	43%	0.433	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-34	176.9	-64.7	-20.4	0	0	0	111	K409 F411 R417	K409-D413 WeakPolarHBondContact O-CB 3.47Å; K409-D413 PolarHBondContact O-N 3.31Å; K409-D413 VanDerWaalsContact O-OD2 3.12Å; F411-D413 VanDerWaalsContact C-N 3.27Å; F411-D413 PolarHBondContact O-N 3.46Å; D413-R417 WeakPolarHBondContact O-CB 3.44Å; D413-R417 PolarHBondContact O-N 3.43Å
414	R	76.1	Confident	76.8	Confident	165 Å²	165	82.1 Å²	82.1	62%	0.623	39%	0.393	S	S	*	.	H	α-helix	trans	-66.6	-44.4	174.4	-165.9	176.4	-176.9	176.6	0.8	112.6	K410 F411 V412 R417 I418	K410-R414 PolarHBondContact O-N 3.05Å; K410-R414 VanDerWaalsContact O-N 3.15Å; F411-R414 WeakPolarHBondContact O-CB 3.32Å; F411-R414 PolarHBondContact O-N 2.98Å; F411-R414 VanDerWaalsContact O-N 3.17Å; V412-R414 PolarHBondContact O-N 3.39Å; R414-R417 PolarHBondContact O-N 3Å; R414-I418 WeakPolarHBondContact O-CG1 3.44Å; R414-I418 PolarHBondContact O-N 2.88Å
415	A	73.9	Confident	78.6	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-43.7	176.3	0	0	0	0	0	111.8	M282 V343 F411 V412 R417 I418 D419	M282-A415 HydrophobicContact CE-CB 3.75Å; M282-A415 HydrophobicContact SD-CB 4.39Å; V343-A415 HydrophobicContact CG1-CB 4.46Å; F411-A415 PolarHBondContact O-N 2.87Å; F411-A415 VanDerWaalsContact O-N 3.09Å; V412-A415 PolarHBondContact O-N 3.21Å; A415-R417 VanDerWaalsContact C-N 3.28Å; A415-R417 PolarHBondContact O-N 3.06Å; A415-I418 WeakPolarHBondContact O-CB 3.39Å; A415-I418 PolarHBondContact O-N 3.03Å; A415-D419 PolarHBondContact O-N 3.04Å
416	K	78.3	Confident	80.2	Confident	115 Å²	115	80 Å²	80	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-33.6	174.3	-72.8	-179	176.9	-176.7	0	112.8	M282 V412 I418 D419 T420	M282-K416 HydrophobicContact CE-CG 4.08Å; V412-K416 HydrophobicContact CG1-CD 3.98Å; V412-K416 HydrophobicContact CG1-CG 4.3Å; V412-K416 WeakPolarHBondContact O-CB 3.5Å; V412-K416 WeakPolarHBondContact O-CG 3.35Å; V412-K416 PolarHBondContact O-N 3.49Å; K416-I418 VanDerWaalsContact C-N 3.31Å; K416-D419 PolarHBondContact O-N 2.83Å; K416-T420 WeakPolarHBondContact O-CB 3.33Å; K416-T420 PolarHBondContact O-N 3.19Å; K416-T420 PolarHBondContact O-OG1 2.91Å
417	R	85.4	Confident	81.6	Confident	176 Å²	176	79.8 Å²	79.8	66%	0.664	38%	0.382	S	S	*	.	H	α-helix	trans	-65.3	-35.1	176	-173.4	176.1	-177.3	-169	0.5	111.7	D413 R414 A415 T420 I421	D413-R417 WeakPolarHBondContact O-CB 3.44Å; D413-R417 PolarHBondContact O-N 3.43Å; R414-R417 PolarHBondContact O-N 3Å; A415-R417 VanDerWaalsContact C-N 3.28Å; A415-R417 PolarHBondContact O-N 3.06Å; R417-T420 PolarHBondContact O-N 3.35Å; R417-I421 HydrophobicContact CG-CD1 3.89Å; R417-I421 HydrophobicContact CG-CG1 4.45Å; R417-I421 VanDerWaalsContact O-CG1 3.26Å; R417-I421 WeakPolarHBondContact O-CG1 3.31Å; R417-I421 PolarHBondContact O-N 3.13Å
418	I	85.6	Confident	83.1	Confident	61 Å²	61	81.5 Å²	81.5	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-55.3	174.5	-63.4	167.6	0	0	0	109.6	E336 V340 R414 A415 K416 T420 I421 S422	E336-I418 HydrophobicContact CG-CG2 4.42Å; V340-I418 HydrophobicContact CG2-CB 4.21Å; V340-I418 HydrophobicContact CG2-CG2 3.83Å; R414-I418 WeakPolarHBondContact O-CG1 3.44Å; R414-I418 PolarHBondContact O-N 2.88Å; A415-I418 WeakPolarHBondContact O-CB 3.39Å; A415-I418 PolarHBondContact O-N 3.03Å; K416-I418 VanDerWaalsContact C-N 3.31Å; I418-T420 PolarHBondContact O-N 3.3Å; I418-I421 PolarHBondContact O-N 3.17Å; I418-I421 VanDerWaalsContact O-N 3.13Å; I418-S422 WeakPolarHBondContact O-CB 3.47Å; I418-S422 PolarHBondContact O-N 3.45Å; I418-S422 PolarHBondContact O-OG 3.46Å
419	D	86.6	Confident	84.7	Confident	9 Å²	9	78.2 Å²	78.2	5%	0.048	39%	0.389	C	S	.	.	H	α-helix	trans	-55.7	-40.1	177.3	-74.9	-51.1	0	0	0	111.2	R288 A415 K416 S422 R423	R288-D419 IonicContact CZ-OD1 3.39Å; R288-D419 IonicContact NH1-OD1 3.01Å; R288-D419 PolarHBondContact NH1-OD1 3.46Å; R288-D419 IonicContact NH1-OD2 3.54Å; R288-D419 IonicContact NH2-OD1 2.8Å; R288-D419 PolarHBondContact NH2-OD1 2.88Å; A415-D419 PolarHBondContact O-N 3.04Å; K416-D419 PolarHBondContact O-N 2.83Å; D419-S422 PolarHBondContact O-N 2.91Å; D419-R423 VanDerWaalsContact O-CG 3.22Å; D419-R423 WeakPolarHBondContact O-CG 3.42Å; D419-R423 PolarHBondContact O-N 3.04Å; D419-R423 VanDerWaalsContact O-N 3.07Å
420	T	89.3	Confident	86	Confident	83 Å²	83	71.7 Å²	71.7	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-65.3	-40.9	-179.9	-54.7	0	0	0	0	112.5	K416 R417 I418	K416-T420 WeakPolarHBondContact O-CB 3.33Å; K416-T420 PolarHBondContact O-N 3.19Å; K416-T420 PolarHBondContact O-OG1 2.91Å; R417-T420 PolarHBondContact O-N 3.35Å; I418-T420 PolarHBondContact O-N 3.3Å
421	I	92.6	Very high	87.4	Confident	96 Å²	96	69.4 Å²	69.4	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-70.4	-45.3	176.7	-68.3	166.7	0	0	0	109.9	R417 I418 R423 A424 A425	R417-I421 HydrophobicContact CG-CD1 3.89Å; R417-I421 HydrophobicContact CG-CG1 4.45Å; R417-I421 VanDerWaalsContact O-CG1 3.26Å; R417-I421 WeakPolarHBondContact O-CG1 3.31Å; R417-I421 PolarHBondContact O-N 3.13Å; I418-I421 PolarHBondContact O-N 3.17Å; I418-I421 VanDerWaalsContact O-N 3.13Å; I421-R423 PolarHBondContact O-N 3.46Å; I421-A424 PolarHBondContact O-N 3.43Å; I421-A424 VanDerWaalsContact O-N 3.08Å; I421-A425 HydrophobicContact CG2-CB 4.36Å; I421-A425 WeakPolarHBondContact O-CB 3.42Å; I421-A425 PolarHBondContact O-N 3.42Å
422	S	93.1	Very high	88.8	Confident	12 Å²	12	69.4 Å²	69.4	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-57.5	-37.1	-179.6	-60	0	0	0	0	112.3	E336 I418 D419 A424 A425 F426	E336-S422 WeakPolarHBondContact CG-OG 3.37Å; E336-S422 PolarHBondContact OE1-OG 3.39Å; I418-S422 WeakPolarHBondContact O-CB 3.47Å; I418-S422 PolarHBondContact O-N 3.45Å; I418-S422 PolarHBondContact O-OG 3.46Å; D419-S422 PolarHBondContact O-N 2.91Å; S422-A424 PolarHBondContact O-N 2.81Å; S422-A425 PolarHBondContact O-N 2.98Å; S422-F426 WeakPolarHBondContact O-CB 3.31Å; S422-F426 WeakPolarHBondContact O-CD2 3.38Å; S422-F426 PolarHBondContact O-N 3.31Å; S422-F426 VanDerWaalsContact O-N 3.14Å
423	R	93.6	Very high	90.2	Very high	86 Å²	86	69.3 Å²	69.3	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-31.1	176.2	-76	169.3	-164.6	-175.5	2.7	114.4	F278 W279 D419 I421 P427	F278-R423 HydrophobicContact CB-CG 3.81Å; F278-R423 PolarHBondContact O-NE 2.87Å; F278-R423 PolarHBondContact O-NH2 3.25Å; W279-R423 HydrophobicContact CZ2-CG 4.38Å; D419-R423 VanDerWaalsContact O-CG 3.22Å; D419-R423 WeakPolarHBondContact O-CG 3.42Å; D419-R423 PolarHBondContact O-N 3.04Å; D419-R423 VanDerWaalsContact O-N 3.07Å; I421-R423 PolarHBondContact O-N 3.46Å; R423-P427 WeakPolarHBondContact O-CD 3.18Å; R423-P427 WeakPolarHBondContact O-CG 3.27Å
424	A	94	Very high	91.2	Very high	66 Å²	66	66.5 Å²	66.5	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-98.9	-40.6	178.3	0	0	0	0	0	111.9	I421 S422 L428	I421-A424 PolarHBondContact O-N 3.43Å; I421-A424 VanDerWaalsContact O-N 3.08Å; S422-A424 PolarHBondContact O-N 2.81Å; A424-L428 VanDerWaalsContact O-CB 3.23Å; A424-L428 WeakPolarHBondContact O-CB 3.48Å; A424-L428 PolarHBondContact O-N 3.29Å
425	A	95.3	Very high	92.2	Very high	48 Å²	48	62.2 Å²	62.2	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-44	-173.9	0	0	0	0	0	112.9	I421 S422 A429	I421-A425 HydrophobicContact CG2-CB 4.36Å; I421-A425 WeakPolarHBondContact O-CB 3.42Å; I421-A425 PolarHBondContact O-N 3.42Å; S422-A425 PolarHBondContact O-N 2.98Å; A425-A429 VanDerWaalsContact O-CB 3.23Å; A425-A429 WeakPolarHBondContact O-CB 3.32Å; A425-A429 PolarHBondContact O-N 3.2Å
426	F	96.1	Very high	93.3	Very high	34 Å²	34	68.7 Å²	68.7	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-51.8	-177.7	-84.5	-111.9	0	0	0	112.4	F278 F329 A332 A333 E336 S422 L428 A429 F430	F278-F426 HydrophobicContact CE2-CB 3.95Å; F278-F426 HydrophobicContact CE2-CD1 4.24Å; F278-F426 HydrophobicContact CE2-CD2 4.16Å; F278-F426 AromaticContact CE2-CG 3.88Å; F278-F426 HydrophobicContact CE2-CG 3.88Å; F278-F426 HydrophobicContact CZ-CB 4.42Å; F278-F426 AromaticContact CZ-CD1 3.9Å; F278-F426 HydrophobicContact CZ-CD1 3.9Å; F278-F426 AromaticContact CZ-CD2 3.96Å; F278-F426 HydrophobicContact CZ-CD2 3.96Å; F278-F426 HydrophobicContact CZ-CE1 4.06Å; F278-F426 HydrophobicContact CZ-CE2 4.12Å; F278-F426 AromaticContact CZ-CG 3.85Å; F278-F426 HydrophobicContact CZ-CG 3.85Å; F278-F426 HydrophobicContact CZ-CZ 4.17Å; F329-F426 HydrophobicContact CD1-CD1 4Å; A332-F426 HydrophobicContact CB-CE1 3.71Å; A332-F426 HydrophobicContact CB-CZ 3.96Å; A333-F426 HydrophobicContact CB-CE1 4.37Å; E336-F426 HydrophobicContact CB-CZ 4.49Å; S422-F426 WeakPolarHBondContact O-CB 3.31Å; S422-F426 WeakPolarHBondContact O-CD2 3.38Å; S422-F426 PolarHBondContact O-N 3.31Å; S422-F426 VanDerWaalsContact O-N 3.14Å; F426-L428 VanDerWaalsContact C-N 3.34Å; F426-L428 PolarHBondContact O-N 3.26Å; F426-A429 PolarHBondContact O-N 3.3Å; F426-F430 WeakPolarHBondContact O-CB 3.28Å; F426-F430 PolarHBondContact O-N 3.29Å
427	P	96.1	Very high	94.2	Very high	40 Å²	40	63.6 Å²	63.6	26%	0.26	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.9	-24.9	35.3	0	0	0	113.2	W275 R423 F430 L431	W275-P427 HydrophobicContact CD2-CG 3.98Å; W275-P427 HydrophobicContact CE3-CB 4.16Å; W275-P427 HydrophobicContact CE3-CG 3.73Å; W275-P427 HydrophobicContact CH2-CB 3.89Å; W275-P427 HydrophobicContact CH2-CG 4.26Å; W275-P427 HydrophobicContact CZ2-CB 4.39Å; W275-P427 HydrophobicContact CZ2-CG 4.49Å; W275-P427 HydrophobicContact CZ3-CB 3.76Å; W275-P427 HydrophobicContact CZ3-CG 3.87Å; R423-P427 WeakPolarHBondContact O-CD 3.18Å; R423-P427 WeakPolarHBondContact O-CG 3.27Å; P427-F430 PolarHBondContact O-N 3.34Å; P427-L431 WeakPolarHBondContact O-CB 3.28Å; P427-L431 PolarHBondContact O-N 2.91Å
428	L	96.3	Very high	94.7	Very high	103 Å²	103	59 Å²	59	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-46.8	179.6	-178.3	64.1	0	0	0	111.8	A424 F426 F430 L431 I432	A424-L428 VanDerWaalsContact O-CB 3.23Å; A424-L428 WeakPolarHBondContact O-CB 3.48Å; A424-L428 PolarHBondContact O-N 3.29Å; F426-L428 VanDerWaalsContact C-N 3.34Å; F426-L428 PolarHBondContact O-N 3.26Å; L428-F430 VanDerWaalsContact C-N 3.3Å; L428-F430 PolarHBondContact O-N 3.06Å; L428-L431 PolarHBondContact O-N 3.37Å; L428-I432 HydrophobicContact CG-CD1 4.22Å; L428-I432 VanDerWaalsContact O-CG1 3.31Å; L428-I432 WeakPolarHBondContact O-CG1 3.2Å; L428-I432 PolarHBondContact O-N 3.46Å
429	A	97.1	Very high	95.2	Very high	44 Å²	44	60.5 Å²	60.5	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-39.2	177.2	0	0	0	0	0	111.7	F329 A425 F426 I432 F433	F329-A429 HydrophobicContact CE1-CB 4.06Å; F329-A429 HydrophobicContact CZ-CB 4Å; A425-A429 VanDerWaalsContact O-CB 3.23Å; A425-A429 WeakPolarHBondContact O-CB 3.32Å; A425-A429 PolarHBondContact O-N 3.2Å; F426-A429 PolarHBondContact O-N 3.3Å; A429-I432 PolarHBondContact O-N 3.4Å; A429-F433 PolarHBondContact O-N 2.99Å
430	F	97.4	Very high	95.6	Very high	7 Å²	7	63.1 Å²	63.1	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-36.1	177.3	-168.7	-116	0	0	0	112.6	L268 V271 W275 F329 F426 P427 L428 F433 N434	L268-F430 HydrophobicContact CD2-CE1 3.41Å; L268-F430 VanDerWaalsContact CD2-CE1 3.41Å; L268-F430 HydrophobicContact CD2-CZ 3.7Å; V271-F430 HydrophobicContact CB-CE1 4.25Å; V271-F430 HydrophobicContact CB-CZ 4.13Å; V271-F430 HydrophobicContact CG1-CD1 4.05Å; V271-F430 HydrophobicContact CG1-CD2 4.2Å; V271-F430 HydrophobicContact CG1-CE1 3.9Å; V271-F430 HydrophobicContact CG1-CE2 4.09Å; V271-F430 HydrophobicContact CG1-CG 4.18Å; V271-F430 HydrophobicContact CG1-CZ 3.93Å; V271-F430 HydrophobicContact CG2-CE2 4.29Å; V271-F430 HydrophobicContact CG2-CZ 4.03Å; W275-F430 HydrophobicContact CH2-CB 4.35Å; W275-F430 AromaticContact CH2-CD1 3.88Å; W275-F430 HydrophobicContact CH2-CD1 3.88Å; W275-F430 HydrophobicContact CH2-CG 4.49Å; W275-F430 HydrophobicContact CZ2-CB 3.85Å; W275-F430 AromaticContact CZ2-CD1 3.74Å; W275-F430 HydrophobicContact CZ2-CD1 3.74Å; W275-F430 HydrophobicContact CZ2-CG 4.01Å; F329-F430 HydrophobicContact CD1-CB 4.27Å; F329-F430 HydrophobicContact CD1-CD2 4.36Å; F329-F430 AromaticContact CD2-CD2 3.66Å; F329-F430 HydrophobicContact CD2-CD2 3.66Å; F329-F430 HydrophobicContact CD2-CE2 4.24Å; F329-F430 HydrophobicContact CE1-CB 3.84Å; F329-F430 HydrophobicContact CE1-CD2 4.39Å; F329-F430 HydrophobicContact CE2-CB 4.43Å; F329-F430 AromaticContact CE2-CD2 3.71Å; F329-F430 HydrophobicContact CE2-CD2 3.71Å; F329-F430 HydrophobicContact CG-CD2 4.01Å; F329-F430 HydrophobicContact CZ-CB 3.94Å; F329-F430 HydrophobicContact CZ-CD2 4.08Å; F426-F430 WeakPolarHBondContact O-CB 3.28Å; F426-F430 PolarHBondContact O-N 3.29Å; P427-F430 PolarHBondContact O-N 3.34Å; L428-F430 VanDerWaalsContact C-N 3.3Å; L428-F430 PolarHBondContact O-N 3.06Å; F430-F433 HydrophobicContact CD2-CD1 4.09Å; F430-F433 AromaticContact CE2-CD1 3.95Å; F430-F433 HydrophobicContact CE2-CD1 3.95Å; F430-F433 HydrophobicContact CE2-CE1 4.32Å; F430-F433 PolarHBondContact O-N 2.89Å; F430-N434 WeakPolarHBondContact CD1-ND2 3.33Å; F430-N434 VanDerWaalsContact CE1-ND2 3.32Å; F430-N434 WeakPolarHBondContact CE1-ND2 3.29Å; F430-N434 PolarHBondContact O-N 3.21Å; F430-N434 PolarHBondContact O-ND2 2.79Å
431	L	97	Very high	95.8	Very high	107 Å²	107	60.5 Å²	60.5	56%	0.56	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-45.3	172.7	-178.4	69.7	0	0	0	111.2	P427 L428 F433 N434 V435	P427-L431 WeakPolarHBondContact O-CB 3.28Å; P427-L431 PolarHBondContact O-N 2.91Å; L428-L431 PolarHBondContact O-N 3.37Å; L431-F433 VanDerWaalsContact C-N 3.32Å; L431-F433 PolarHBondContact O-N 3.46Å; L431-N434 WeakPolarHBondContact O-CB 3.06Å; L431-N434 PolarHBondContact O-N 3.48Å; L431-V435 WeakPolarHBondContact O-CG2 3.36Å; L431-V435 PolarHBondContact O-N 3.27Å
432	I	97.6	Very high	95.8	Very high	85 Å²	85	63.5 Å²	63.5	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-48.5	175.3	-69.6	166.3	0	0	0	110	L428 A429 N434 V435 F436	L428-I432 HydrophobicContact CG-CD1 4.22Å; L428-I432 VanDerWaalsContact O-CG1 3.31Å; L428-I432 WeakPolarHBondContact O-CG1 3.2Å; L428-I432 PolarHBondContact O-N 3.46Å; A429-I432 PolarHBondContact O-N 3.4Å; I432-N434 VanDerWaalsContact C-N 3.34Å; I432-N434 PolarHBondContact O-N 2.93Å; I432-V435 PolarHBondContact O-N 3.06Å; I432-F436 HydrophobicContact CG2-CD2 3.62Å; I432-F436 HydrophobicContact CG2-CE2 3.62Å; I432-F436 VanDerWaalsContact O-CD2 3.27Å; I432-F436 WeakPolarHBondContact O-CD2 3.4Å; I432-F436 PolarHBondContact O-N 3.06Å
433	F	97.5	Very high	95.7	Very high	37 Å²	37	67.3 Å²	67.3	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-56.1	-46.2	175.5	166.4	-105.6	0	0	0	112.4	W322 V325 A429 F430 L431 V435 F436 Y437	W322-F433 AromaticContact CE3-CE1 3.71Å; W322-F433 HydrophobicContact CE3-CE1 3.71Å; W322-F433 HydrophobicContact CE3-CZ 4.05Å; W322-F433 AromaticContact CZ3-CE1 3.8Å; W322-F433 HydrophobicContact CZ3-CE1 3.8Å; V325-F433 HydrophobicContact CB-CD2 4.46Å; V325-F433 HydrophobicContact CB-CE1 4.04Å; V325-F433 HydrophobicContact CB-CE2 3.9Å; V325-F433 HydrophobicContact CB-CZ 3.67Å; V325-F433 HydrophobicContact CG1-CD1 3.76Å; V325-F433 HydrophobicContact CG1-CD2 3.82Å; V325-F433 HydrophobicContact CG1-CE1 3.69Å; V325-F433 HydrophobicContact CG1-CE2 3.76Å; V325-F433 HydrophobicContact CG1-CG 3.81Å; V325-F433 HydrophobicContact CG1-CZ 3.7Å; V325-F433 HydrophobicContact CG2-CD2 4.34Å; V325-F433 HydrophobicContact CG2-CE2 3.71Å; V325-F433 HydrophobicContact CG2-CZ 3.93Å; A429-F433 PolarHBondContact O-N 2.99Å; F430-F433 HydrophobicContact CD2-CD1 4.09Å; F430-F433 AromaticContact CE2-CD1 3.95Å; F430-F433 HydrophobicContact CE2-CD1 3.95Å; F430-F433 HydrophobicContact CE2-CE1 4.32Å; F430-F433 PolarHBondContact O-N 2.89Å; L431-F433 VanDerWaalsContact C-N 3.32Å; L431-F433 PolarHBondContact O-N 3.46Å; F433-V435 PolarHBondContact O-N 3.46Å; F433-F436 PolarHBondContact O-N 3.27Å; F433-Y437 HydrophobicContact CE2-CD2 4.22Å; F433-Y437 AromaticContact CZ-CD2 3.92Å; F433-Y437 HydrophobicContact CZ-CD2 3.92Å; F433-Y437 HydrophobicContact CZ-CG 4.27Å; F433-Y437 VanDerWaalsContact O-CB 3.25Å; F433-Y437 WeakPolarHBondContact O-CB 3.29Å; F433-Y437 PolarHBondContact O-N 2.99Å
434	N	97.1	Very high	95.6	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-47.4	178.4	-88.6	-91.5	0	0	0	111.8	W322 F430 L431 I432 F436 Y437 W438	W322-N434 VanDerWaalsContact CH2-OD1 3.24Å; W322-N434 WeakPolarHBondContact CH2-OD1 3.04Å; F430-N434 WeakPolarHBondContact CD1-ND2 3.33Å; F430-N434 VanDerWaalsContact CE1-ND2 3.32Å; F430-N434 WeakPolarHBondContact CE1-ND2 3.29Å; F430-N434 PolarHBondContact O-N 3.21Å; F430-N434 PolarHBondContact O-ND2 2.79Å; L431-N434 WeakPolarHBondContact O-CB 3.06Å; L431-N434 PolarHBondContact O-N 3.48Å; I432-N434 VanDerWaalsContact C-N 3.34Å; I432-N434 PolarHBondContact O-N 2.93Å; N434-F436 PolarHBondContact O-N 2.93Å; N434-Y437 PolarHBondContact O-N 3.06Å; N434-W438 PolarHBondContact O-N 3.01Å
435	V	97.1	Very high	95.3	Very high	75 Å²	75	65.9 Å²	65.9	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-49.5	179	172.3	0	0	0	0	110.6	L431 I432 F433 Y437 I439	L431-V435 WeakPolarHBondContact O-CG2 3.36Å; L431-V435 PolarHBondContact O-N 3.27Å; I432-V435 PolarHBondContact O-N 3.06Å; F433-V435 PolarHBondContact O-N 3.46Å; V435-Y437 PolarHBondContact O-N 3.16Å; V435-I439 HydrophobicContact CG1-CD1 3.56Å; V435-I439 HydrophobicContact CG1-CG1 4.48Å; V435-I439 WeakPolarHBondContact O-CB 3.46Å; V435-I439 WeakPolarHBondContact O-CG1 3.5Å; V435-I439 PolarHBondContact O-N 3.04Å; V435-I439 VanDerWaalsContact O-N 3.07Å
436	F	97.3	Very high	94.9	Very high	135 Å²	135	69 Å²	69	59%	0.592	34%	0.343	S	S	*	.	H	α-helix	trans	-62.9	-43.5	178.5	-83.4	-70.3	0	0	0	112.8	I432 F433 N434 T440	I432-F436 HydrophobicContact CG2-CD2 3.62Å; I432-F436 HydrophobicContact CG2-CE2 3.62Å; I432-F436 VanDerWaalsContact O-CD2 3.27Å; I432-F436 WeakPolarHBondContact O-CD2 3.4Å; I432-F436 PolarHBondContact O-N 3.06Å; F433-F436 PolarHBondContact O-N 3.27Å; N434-F436 PolarHBondContact O-N 2.93Å; F436-T440 VanDerWaalsContact O-CB 3.25Å; F436-T440 WeakPolarHBondContact O-CB 3.31Å; F436-T440 PolarHBondContact O-N 3.05Å; F436-T440 PolarHBondContact O-OG1 3.05Å
437	Y	96.7	Very high	94.4	Very high	9 Å²	9	71.6 Å²	71.6	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-55.9	179.7	-178.4	-92.1	0	0	0	111.1	M183 Y264 A318 W322 F433 N434 V435 I439 T440 Y441	M183-Y437 HydrophobicContact CE-CE1 3.94Å; Y264-Y437 AromaticContact CE1-CE1 3.75Å; Y264-Y437 HydrophobicContact CE1-CE1 3.75Å; Y264-Y437 PolarHBondContact OH-OH 2.76Å; A318-Y437 PolarHBondContact O-OH 3.14Å; W322-Y437 HydrophobicContact CB-CE2 4Å; W322-Y437 AromaticContact CE3-CD1 3.8Å; W322-Y437 HydrophobicContact CE3-CD1 3.8Å; W322-Y437 HydrophobicContact CE3-CD2 4.26Å; W322-Y437 AromaticContact CE3-CE1 3.84Å; W322-Y437 HydrophobicContact CE3-CE1 3.84Å; W322-Y437 HydrophobicContact CE3-CE2 4.28Å; W322-Y437 HydrophobicContact CE3-CG 4.03Å; W322-Y437 HydrophobicContact CZ3-CD1 4.08Å; W322-Y437 HydrophobicContact CZ3-CE1 4.44Å; W322-Y437 HydrophobicContact CZ3-CG 4.4Å; F433-Y437 HydrophobicContact CE2-CD2 4.22Å; F433-Y437 AromaticContact CZ-CD2 3.92Å; F433-Y437 HydrophobicContact CZ-CD2 3.92Å; F433-Y437 HydrophobicContact CZ-CG 4.27Å; F433-Y437 VanDerWaalsContact O-CB 3.25Å; F433-Y437 WeakPolarHBondContact O-CB 3.29Å; F433-Y437 PolarHBondContact O-N 2.99Å; N434-Y437 PolarHBondContact O-N 3.06Å; V435-Y437 PolarHBondContact O-N 3.16Å; Y437-I439 PolarHBondContact O-N 3Å; Y437-T440 PolarHBondContact O-N 2.97Å; Y437-Y441 HydrophobicContact CD1-CD2 4.31Å; Y437-Y441 AromaticContact CD2-CD2 3.91Å; Y437-Y441 HydrophobicContact CD2-CD2 3.91Å; Y437-Y441 AromaticContact CD2-CE2 3.69Å; Y437-Y441 HydrophobicContact CD2-CE2 3.69Å; Y437-Y441 HydrophobicContact CE1-CD2 4.09Å; Y437-Y441 AromaticContact CE2-CD2 3.7Å; Y437-Y441 HydrophobicContact CE2-CD2 3.7Å; Y437-Y441 AromaticContact CE2-CE2 3.34Å; Y437-Y441 HydrophobicContact CE2-CE2 3.34Å; Y437-Y441 HydrophobicContact CG-CD2 4.2Å; Y437-Y441 HydrophobicContact CG-CE2 4.43Å; Y437-Y441 AromaticContact CZ-CD2 3.77Å; Y437-Y441 AromaticContact CZ-CE2 3.82Å; Y437-Y441 VanDerWaalsContact O-CD2 3.3Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.35Å; Y437-Y441 PolarHBondContact O-N 3.05Å; Y437-Y441 VanDerWaalsContact O-N 3.14Å
438	W	95.9	Very high	93.6	Very high	80 Å²	80	72.1 Å²	72.1	30%	0.303	36%	0.356	S	S	.	.	H	α-helix	trans	-67.6	-38.4	-175.6	-72.3	112.8	0	0	0	112.9	M183 M256 L260 Y264 N434 K442	M183-W438 HydrophobicContact CE-CZ3 4.3Å; M183-W438 HydrophobicContact SD-CE3 4.14Å; M183-W438 HydrophobicContact SD-CZ3 3.84Å; M256-W438 HydrophobicContact CE-CH2 4.27Å; M256-W438 HydrophobicContact CE-CZ3 4.02Å; L260-W438 HydrophobicContact CD2-CH2 3.49Å; L260-W438 VanDerWaalsContact CD2-CH2 3.49Å; L260-W438 HydrophobicContact CD2-CZ2 3.99Å; L260-W438 HydrophobicContact CD2-CZ3 4.37Å; Y264-W438 AromaticContact CD1-CH2 3.97Å; Y264-W438 HydrophobicContact CD1-CH2 3.97Å; Y264-W438 AromaticContact CD1-CZ2 3.65Å; Y264-W438 HydrophobicContact CD1-CZ2 3.65Å; Y264-W438 HydrophobicContact CD2-CH2 4.29Å; Y264-W438 AromaticContact CE1-CH2 3.91Å; Y264-W438 HydrophobicContact CE1-CH2 3.91Å; Y264-W438 AromaticContact CE1-CZ2 3.88Å; Y264-W438 HydrophobicContact CE1-CZ2 3.88Å; Y264-W438 HydrophobicContact CE2-CH2 4.23Å; Y264-W438 HydrophobicContact CG-CH2 4.18Å; Y264-W438 HydrophobicContact CG-CZ2 4.08Å; N434-W438 PolarHBondContact O-N 3.01Å; W438-K442 WeakPolarHBondContact O-CB 3.21Å; W438-K442 PolarHBondContact O-N 3.32Å
439	I	95.6	Very high	92.7	Very high	91 Å²	91	69 Å²	69	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-47.5	177.1	-69.4	173.3	0	0	0	110.4	V435 Y437 Y441 K442 I443	V435-I439 HydrophobicContact CG1-CD1 3.56Å; V435-I439 HydrophobicContact CG1-CG1 4.48Å; V435-I439 WeakPolarHBondContact O-CB 3.46Å; V435-I439 WeakPolarHBondContact O-CG1 3.5Å; V435-I439 PolarHBondContact O-N 3.04Å; V435-I439 VanDerWaalsContact O-N 3.07Å; Y437-I439 PolarHBondContact O-N 3Å; I439-Y441 PolarHBondContact O-N 3.2Å; I439-K442 PolarHBondContact O-N 3.45Å; I439-I443 HydrophobicContact CG2-CD1 3.67Å; I439-I443 HydrophobicContact CG2-CG1 4.41Å; I439-I443 VanDerWaalsContact O-CG1 3.32Å; I439-I443 WeakPolarHBondContact O-CG1 3.5Å; I439-I443 PolarHBondContact O-N 3.46Å
440	T	94.8	Very high	91.6	Very high	64 Å²	64	73 Å²	73	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-52.1	-177.1	-57.4	0	0	0	0	111	F436 Y437 K442 I443 I444	F436-T440 VanDerWaalsContact O-CB 3.25Å; F436-T440 WeakPolarHBondContact O-CB 3.31Å; F436-T440 PolarHBondContact O-N 3.05Å; F436-T440 PolarHBondContact O-OG1 3.05Å; Y437-T440 PolarHBondContact O-N 2.97Å; T440-K442 VanDerWaalsContact C-N 3.31Å; T440-K442 PolarHBondContact O-N 3.21Å; T440-I443 PolarHBondContact O-N 3.19Å; T440-I444 HydrophobicContact CG2-CD1 3.78Å; T440-I444 HydrophobicContact CG2-CG1 4.5Å; T440-I444 VanDerWaalsContact O-CG1 3.32Å; T440-I444 WeakPolarHBondContact O-CG1 3.46Å; T440-I444 PolarHBondContact O-N 3.49Å
441	Y	93.4	Very high	90.1	Very high	28 Å²	28	80 Å²	80	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-71.7	-24.5	-178.7	-75	-68.9	0	0	0	113.8	M183 A318 I321 Y437 I439 I444 R445	M183-Y441 HydrophobicContact CE-CD1 4.23Å; M183-Y441 HydrophobicContact CE-CD2 3.91Å; M183-Y441 HydrophobicContact CE-CG 3.54Å; M183-Y441 VanDerWaalsContact SD-CB 3.57Å; M183-Y441 HydrophobicContact SD-CG 4.47Å; A318-Y441 WeakPolarHBondContact CA-OH 3.29Å; A318-Y441 HydrophobicContact CB-CD1 3.92Å; A318-Y441 HydrophobicContact CB-CD2 4.38Å; A318-Y441 HydrophobicContact CB-CE1 3.32Å; A318-Y441 HydrophobicContact CB-CE2 3.85Å; A318-Y441 HydrophobicContact CB-CG 4.42Å; A318-Y441 WeakPolarHBondContact CB-OH 3.35Å; I321-Y441 WeakPolarHBondContact CD1-OH 3.06Å; Y437-Y441 HydrophobicContact CD1-CD2 4.31Å; Y437-Y441 AromaticContact CD2-CD2 3.91Å; Y437-Y441 HydrophobicContact CD2-CD2 3.91Å; Y437-Y441 AromaticContact CD2-CE2 3.69Å; Y437-Y441 HydrophobicContact CD2-CE2 3.69Å; Y437-Y441 HydrophobicContact CE1-CD2 4.09Å; Y437-Y441 AromaticContact CE2-CD2 3.7Å; Y437-Y441 HydrophobicContact CE2-CD2 3.7Å; Y437-Y441 AromaticContact CE2-CE2 3.34Å; Y437-Y441 HydrophobicContact CE2-CE2 3.34Å; Y437-Y441 HydrophobicContact CG-CD2 4.2Å; Y437-Y441 HydrophobicContact CG-CE2 4.43Å; Y437-Y441 AromaticContact CZ-CD2 3.77Å; Y437-Y441 AromaticContact CZ-CE2 3.82Å; Y437-Y441 VanDerWaalsContact O-CD2 3.3Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.35Å; Y437-Y441 PolarHBondContact O-N 3.05Å; Y437-Y441 VanDerWaalsContact O-N 3.14Å; I439-Y441 PolarHBondContact O-N 3.2Å; Y441-I444 HydrophobicContact CD1-CD1 4.3Å; Y441-I444 HydrophobicContact CE1-CD1 4.44Å; Y441-R445 VanDerWaalsContact O-CB 3.25Å; Y441-R445 WeakPolarHBondContact O-CB 3.5Å; Y441-R445 PolarHBondContact O-N 2.98Å
442	K	92.4	Very high	88	Confident	160 Å²	160	80.8 Å²	80.8	70%	0.696	38%	0.383	S	S	*	.	H	α-helix	trans	-67.7	-42.9	170	-175.2	-179.4	177.6	-175.7	0	111.7	W438 I439 T440 H446	W438-K442 WeakPolarHBondContact O-CB 3.21Å; W438-K442 PolarHBondContact O-N 3.32Å; I439-K442 PolarHBondContact O-N 3.45Å; T440-K442 VanDerWaalsContact C-N 3.31Å; T440-K442 PolarHBondContact O-N 3.21Å; K442-H446 WeakPolarHBondContact O-CB 3.4Å; K442-H446 PolarHBondContact O-N 3Å
443	I	92.6	Very high	87.6	Confident	92 Å²	92	80.6 Å²	80.6	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-47.4	177.3	-66.8	167.6	0	0	0	110.2	I439 T440 R445 H446 E447	I439-I443 HydrophobicContact CG2-CD1 3.67Å; I439-I443 HydrophobicContact CG2-CG1 4.41Å; I439-I443 VanDerWaalsContact O-CG1 3.32Å; I439-I443 WeakPolarHBondContact O-CG1 3.5Å; I439-I443 PolarHBondContact O-N 3.46Å; T440-I443 PolarHBondContact O-N 3.19Å; I443-R445 VanDerWaalsContact C-N 3.34Å; I443-R445 PolarHBondContact O-N 3.13Å; I443-H446 WeakPolarHBondContact O-CB 3.48Å; I443-H446 PolarHBondContact O-N 3.12Å; I443-H446 VanDerWaalsContact O-N 3.1Å; I443-E447 PolarHBondContact O-N 3.39Å
444	I	90.4	Very high	87	Confident	52 Å²	52	82.9 Å²	82.9	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-47.5	178.1	-67.8	169	0	0	0	110.6	N180 T440 Y441 H446 E447 D448	N180-I444 WeakPolarHBondContact ND2-CG2 3.5Å; T440-I444 HydrophobicContact CG2-CD1 3.78Å; T440-I444 HydrophobicContact CG2-CG1 4.5Å; T440-I444 VanDerWaalsContact O-CG1 3.32Å; T440-I444 WeakPolarHBondContact O-CG1 3.46Å; T440-I444 PolarHBondContact O-N 3.49Å; Y441-I444 HydrophobicContact CD1-CD1 4.3Å; Y441-I444 HydrophobicContact CE1-CD1 4.44Å; I444-H446 VanDerWaalsContact C-N 3.28Å; I444-H446 PolarHBondContact O-N 3.23Å; I444-E447 PolarHBondContact O-N 3.09Å; I444-D448 VanDerWaalsContact O-CG 3.31Å; I444-D448 PolarHBondContact O-N 3.43Å
445	R	87.1	Confident	86.5	Confident	69 Å²	69	86.2 Å²	86.2	26%	0.26	41%	0.407	S	S	.	.	H	α-helix	trans	-57.9	-41.9	176.2	-179.8	-176.6	178.6	171.3	2.4	112.1	E253 Y441 I443 D448 V449	E253-R445 IonicContact OE1-CZ 2.79Å; E253-R445 IonicContact OE1-NE 3.44Å; E253-R445 PolarHBondContact OE1-NE 2.93Å; E253-R445 IonicContact OE1-NH2 2.7Å; E253-R445 PolarHBondContact OE1-NH2 3.41Å; Y441-R445 VanDerWaalsContact O-CB 3.25Å; Y441-R445 WeakPolarHBondContact O-CB 3.5Å; Y441-R445 PolarHBondContact O-N 2.98Å; I443-R445 VanDerWaalsContact C-N 3.34Å; I443-R445 PolarHBondContact O-N 3.13Å; R445-D448 PolarHBondContact O-N 3.31Å; R445-V449 WeakPolarHBondContact O-CB 3.46Å; R445-V449 VanDerWaalsContact O-CG2 3.24Å; R445-V449 WeakPolarHBondContact O-CG2 3.24Å; R445-V449 PolarHBondContact O-N 3.49Å
446	H	86.8	Confident	85.9	Confident	114 Å²	114	86.9 Å²	86.9	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-44	177.8	-175.1	-86.1	0	0	0	111.4	K442 I443 I444 V449 H450	K442-H446 WeakPolarHBondContact O-CB 3.4Å; K442-H446 PolarHBondContact O-N 3Å; I443-H446 WeakPolarHBondContact O-CB 3.48Å; I443-H446 PolarHBondContact O-N 3.12Å; I443-H446 VanDerWaalsContact O-N 3.1Å; I444-H446 VanDerWaalsContact C-N 3.28Å; I444-H446 PolarHBondContact O-N 3.23Å; H446-V449 PolarHBondContact O-N 2.95Å; H446-H450 AromaticContact CD2-CD2 3.88Å; H446-H450 AromaticContact CD2-NE2 3.89Å; H446-H450 AromaticContact CE1-CD2 3.13Å; H446-H450 PolarHBondContact CE1-CD2 3.03Å; H446-H450 AromaticContact CE1-NE2 3.31Å; H446-H450 PolarHBondContact CE1-NE2 3.47Å; H446-H450 VanDerWaalsContact CE1-NE2 3.31Å; H446-H450 AromaticContact CG-CD2 3.86Å; H446-H450 AromaticContact ND1-CD2 3.4Å; H446-H450 PolarHBondContact ND1-CD2 3.17Å; H446-H450 AromaticContact NE2-CD2 3.49Å; H446-H450 PolarHBondContact NE2-CD2 2.98Å; H446-H450 AromaticContact NE2-NE2 3.25Å; H446-H450 PolarHBondContact NE2-NE2 3.42Å; H446-H450 PolarHBondContact O-CD2 3.47Å; H446-H450 PolarHBondContact O-N 3.36Å; H446-H450 VanDerWaalsContact O-N 3.12Å
447	E	86.4	Confident	85.2	Confident	88 Å²	88	83.9 Å²	83.9	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-42.6	174.5	-72.9	-170.8	-165.8	0	0	112.7	I443 I444 V449 H450 K451	I443-E447 PolarHBondContact O-N 3.39Å; I444-E447 PolarHBondContact O-N 3.09Å; E447-V449 PolarHBondContact O-N 3.37Å; E447-H450 PolarHBondContact O-N 2.94Å; E447-K451 WeakPolarHBondContact O-CB 3.46Å; E447-K451 WeakPolarHBondContact O-CG 3.44Å; E447-K451 PolarHBondContact O-N 3.31Å; E447-K451 IonicContact OE2-NZ 3.78Å; E447-K451 PolarHBondContact OE2-NZ 2.95Å
448	D	79.6	Confident	84.4	Confident	51 Å²	51	88.9 Å²	88.9	27%	0.273	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-33.5	178.7	-70.6	-17.3	0	0	0	111.6	N180 I444 R445 Q452	N180-D448 PolarHBondContact ND2-OD2 2.93Å; I444-D448 VanDerWaalsContact O-CG 3.31Å; I444-D448 PolarHBondContact O-N 3.43Å; R445-D448 PolarHBondContact O-N 3.31Å; D448-Q452 WeakPolarHBondContact O-CG 3.49Å
449	V	76.9	Confident	83.6	Confident	37 Å²	37	89.5 Å²	89.5	22%	0.224	43%	0.425	C	S	.	.	H	α-helix	trans	-72.8	-32	176	166.6	0	0	0	0	112.6	V185 R445 H446 E447	V185-V449 HydrophobicContact CG2-CG2 3.88Å; R445-V449 WeakPolarHBondContact O-CB 3.46Å; R445-V449 VanDerWaalsContact O-CG2 3.24Å; R445-V449 WeakPolarHBondContact O-CG2 3.24Å; R445-V449 PolarHBondContact O-N 3.49Å; H446-V449 PolarHBondContact O-N 2.95Å; E447-V449 PolarHBondContact O-N 3.37Å
450	H	73.7	Confident	82.6	Confident	128 Å²	128	89.4 Å²	89.4	59%	0.593	42%	0.421	S	S	*	.	H	α-helix	trans	-98.3	-16.9	-175.5	-80.7	-70.2	0	0	0	115.2	H446 E447 Q452	H446-H450 AromaticContact CD2-CD2 3.88Å; H446-H450 AromaticContact CD2-NE2 3.89Å; H446-H450 AromaticContact CE1-CD2 3.13Å; H446-H450 PolarHBondContact CE1-CD2 3.03Å; H446-H450 AromaticContact CE1-NE2 3.31Å; H446-H450 PolarHBondContact CE1-NE2 3.47Å; H446-H450 VanDerWaalsContact CE1-NE2 3.31Å; H446-H450 AromaticContact CG-CD2 3.86Å; H446-H450 AromaticContact ND1-CD2 3.4Å; H446-H450 PolarHBondContact ND1-CD2 3.17Å; H446-H450 AromaticContact NE2-CD2 3.49Å; H446-H450 PolarHBondContact NE2-CD2 2.98Å; H446-H450 AromaticContact NE2-NE2 3.25Å; H446-H450 PolarHBondContact NE2-NE2 3.42Å; H446-H450 PolarHBondContact O-CD2 3.47Å; H446-H450 PolarHBondContact O-N 3.36Å; H446-H450 VanDerWaalsContact O-N 3.12Å; E447-H450 PolarHBondContact O-N 2.94Å; H450-Q452 VanDerWaalsContact C-N 3.29Å
451	K	65.4	Low	81.6	Confident	154 Å²	154	91.5 Å²	91.5	67%	0.67	42%	0.424	S	S	*	.			trans	-80.2	-12.9	173	-78.2	175.3	-175.9	157.3	0	112.9	E447	E447-K451 WeakPolarHBondContact O-CB 3.46Å; E447-K451 WeakPolarHBondContact O-CG 3.44Å; E447-K451 PolarHBondContact O-N 3.31Å; E447-K451 IonicContact OE2-NZ 3.78Å; E447-K451 PolarHBondContact OE2-NZ 2.95Å
452	Q	54.9	Low	80.6	Confident	125 Å²	125	97.3 Å²	97.3	58%	0.584	45%	0.452	S	S	*	.			trans	-92.2	0	170.8	-66.6	174.6	-1.2	0	0	108.2	H251 D448 H450	H251-Q452 PolarHBondContact ND1-OE1 3.39Å; D448-Q452 WeakPolarHBondContact O-CG 3.49Å; H450-Q452 VanDerWaalsContact C-N 3.29Å

Retrieved 452 of 452 residues in 972.6 ms (Link to these results)

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