A0A077ZI27_TRITR Loading...

Rhotekin

AlphaFold DB , UniProt , Accession A0A077ZI27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 429 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	26.3	Very low	25.3	Very low	115 Å²	115	118.1 Å²	118.1	57%	0.567	59%	0.587	S	S	*	*				0	78.6	0	-164.9	-166.3	-41	0	0	104.7	L3 L35 R38	M1-L3 PolarHBondContact O-N 2.72Å; M1-L35 HydrophobicContact SD-CD2 4.27Å; M1-R38 HydrophobicContact CE-CB 3.27Å; M1-R38 HydrophobicContact CE-CG 3.82Å
2	W	20.7	Very low	25.4	Very low	226 Å²	226	119.3 Å²	119.3	86%	0.856	59%	0.587	S	S	*	*				38.9	59.2	84	-66.8	90.2	0	0	0	110.5	H4	W2-H4 AromaticContact CE3-NE2 3.93Å
3	L	24	Very low	25.3	Very low	87 Å²	87	121.3 Å²	121.3	46%	0.455	60%	0.602	S	S	.	*			trans	-95.6	111	144.5	-109.8	93.9	0	0	0	105.9	M1 F5 F39	M1-L3 PolarHBondContact O-N 2.72Å; L3-F5 HydrophobicContact CB-CD2 4.35Å; L3-F5 HydrophobicContact CB-CE2 4.1Å; L3-F5 HydrophobicContact CD2-CE2 4.31Å; L3-F5 HydrophobicContact CD2-CZ 4.47Å; L3-F5 PolarHBondContact O-N 3.27Å; L3-F39 HydrophobicContact CB-CZ 4.2Å; L3-F39 HydrophobicContact CD1-CE2 3.38Å; L3-F39 HydrophobicContact CD1-CZ 3.52Å; L3-F39 HydrophobicContact CD2-CE2 4.41Å; L3-F39 HydrophobicContact CD2-CZ 3.95Å; L3-F39 HydrophobicContact CG-CE2 4.37Å; L3-F39 HydrophobicContact CG-CZ 4.06Å
4	H	22.5	Very low	25.5	Very low	145 Å²	145	122.5 Å²	122.5	67%	0.671	61%	0.611	S	S	*	*			trans	-56.3	104	163.1	-87.4	-102	0	0	0	108	W2	W2-H4 AromaticContact CE3-NE2 3.93Å
5	F	26.2	Very low	25.5	Very low	147 Å²	147	124.9 Å²	124.9	65%	0.645	62%	0.617	S	S	*	*			trans	-87.5	116.4	156	-80.1	-85.7	0	0	0	106	L3 T7	L3-F5 HydrophobicContact CB-CD2 4.35Å; L3-F5 HydrophobicContact CB-CE2 4.1Å; L3-F5 HydrophobicContact CD2-CE2 4.31Å; L3-F5 HydrophobicContact CD2-CZ 4.47Å; L3-F5 PolarHBondContact O-N 3.27Å; F5-T7 PolarHBondContact O-N 3.43Å
6	F	26.3	Very low	25.4	Very low	153 Å²	153	128.9 Å²	128.9	67%	0.671	63%	0.625	S	S	*	*			trans	-59.1	105.5	171.6	-86.7	-94.7	0	0	0	108.5	I8 L18	F6-I8 HydrophobicContact CB-CG1 4.26Å; F6-I8 PolarHBondContact O-N 3.27Å; F6-L18 HydrophobicContact CE1-CD1 4.43Å
7	T	25.3	Very low	25.2	Very low	93 Å²	93	128.8 Å²	128.8	57%	0.571	63%	0.634	S	S	*	*			trans	-58.9	111	147.2	-10.4	0	0	0	0	105.5	F5 D9	F5-T7 PolarHBondContact O-N 3.43Å; T7-D9 PolarHBondContact O-N 3.39Å; T7-D9 VanDerWaalsContact O-N 3.08Å
8	I	28.8	Very low	25.2	Very low	84 Å²	84	130.1 Å²	130.1	43%	0.431	64%	0.643	S	S	.	*			trans	-86.7	65.4	166.8	-56	-178.7	0	0	0	105.7	F6 C10 L74	F6-I8 HydrophobicContact CB-CG1 4.26Å; F6-I8 PolarHBondContact O-N 3.27Å; I8-C10 PolarHBondContact O-N 2.74Å; I8-L74 HydrophobicContact CD1-CD2 3.16Å; I8-L74 HydrophobicContact CG1-CD2 4.46Å; I8-L74 HydrophobicContact CG2-CD2 4.35Å
9	D	26.2	Very low	25.1	Very low	62 Å²	62	132.7 Å²	132.7	33%	0.332	65%	0.653	S	S	.	*			trans	-80.9	93.3	155.5	-89	-12.8	0	0	0	104.4	T7 C11 R50	T7-D9 PolarHBondContact O-N 3.39Å; T7-D9 VanDerWaalsContact O-N 3.08Å; D9-C11 PolarHBondContact O-N 3.08Å; D9-R50 VanDerWaalsContact OD2-CD 3.27Å; D9-R50 WeakPolarHBondContact OD2-CD 3.43Å; D9-R50 IonicContact OD2-CZ 3.55Å; D9-R50 IonicContact OD2-NH1 2.74Å; D9-R50 PolarHBondContact OD2-NH1 3.38Å
10	C	25.9	Very low	25.1	Very low	85 Å²	85	134.5 Å²	134.5	57%	0.574	65%	0.654	S	S	*	*			trans	-75.1	61.6	156.6	-70.8	0	0	0	0	108.1	I8 F12	I8-C10 PolarHBondContact O-N 2.74Å; C10-F12 VanDerWaalsContact C-N 3.3Å; C10-F12 HydrophobicContact CB-CD2 4.41Å; C10-F12 HydrophobicContact CB-CE2 4.36Å; C10-F12 PolarHBondContact O-N 3.04Å
11	C	26.3	Very low	25.1	Very low	102 Å²	102	134.1 Å²	134.1	69%	0.689	66%	0.659	S	S	*	*			trans	-76.3	97.2	154.8	-73.7	0	0	0	0	105.5	D9 D13	D9-C11 PolarHBondContact O-N 3.08Å; C11-D13 VanDerWaalsContact C-N 3.29Å; C11-D13 PolarHBondContact O-N 3.43Å
12	F	26.3	Very low	25	Very low	132 Å²	132	136.6 Å²	136.6	58%	0.579	67%	0.669	S	S	*	*			trans	-64.3	94.5	164.7	-87.1	-92.1	0	0	0	107.5	C10 N59 V62	C10-F12 VanDerWaalsContact C-N 3.3Å; C10-F12 HydrophobicContact CB-CD2 4.41Å; C10-F12 HydrophobicContact CB-CE2 4.36Å; C10-F12 PolarHBondContact O-N 3.04Å; F12-N59 WeakPolarHBondContact CE1-ND2 3.23Å; F12-N59 VanDerWaalsContact CE2-ND2 3.34Å; F12-N59 WeakPolarHBondContact CE2-ND2 3.4Å; F12-N59 WeakPolarHBondContact CZ-ND2 3.26Å; F12-V62 HydrophobicContact CZ-CG2 4.47Å
13	D	24.7	Very low	25.2	Very low	146 Å²	146	132 Å²	132	78%	0.781	67%	0.666	S	S	*	*			trans	-151.9	123.9	145.4	-83	-39.7	0	0	0	106	C11	C11-D13 VanDerWaalsContact C-N 3.29Å; C11-D13 PolarHBondContact O-N 3.43Å
14	D	27.1	Very low	25.2	Very low	138 Å²	138	133 Å²	133	74%	0.738	68%	0.675	S	S	*	*	S	Bend	trans	74.9	99	170.4	-56.6	-30.7	0	0	0	120.1
15	F	25.4	Very low	25.3	Very low	159 Å²	159	135.5 Å²	135.5	70%	0.697	68%	0.684	S	S	*	*				62.5	121.4	123.8	-80.2	-70.7	0	0	0	121.9
16	Y	24.7	Very low	25.2	Very low	189 Å²	189	133.8 Å²	133.8	74%	0.741	69%	0.689	S	S	*	*			trans	84.6	115.7	146.2	-67	-65.1	0	0	0	121.5
17	T	22.4	Very low	25.3	Very low	127 Å²	127	135.4 Å²	135.4	78%	0.779	70%	0.697	S	S	*	*			trans	51.7	106.8	139.3	51.9	0	0	0	0	119.2
18	L	24.6	Very low	25.4	Very low	151 Å²	151	135.4 Å²	135.4	79%	0.791	70%	0.698	S	S	*	*			trans	-115.4	109.9	157.9	-103.3	155.6	0	0	0	110	F6	F6-L18 HydrophobicContact CE1-CD1 4.43Å
19	E	24.2	Very low	25.7	Very low	181 Å²	181	142.7 Å²	142.7	85%	0.846	72%	0.72	S	S	*	*			trans	-58.7	143.9	169.2	-79	-177.9	137	0	0	112.1
20	Y	24.3	Very low	26.2	Very low	168 Å²	168	144.2 Å²	144.2	66%	0.659	74%	0.736	S	S	*	*			trans	-66.7	125.7	174.2	-108.7	-111.2	0	0	0	111.2	K69	Y20-K69 PolarHBondContact OH-NZ 3.43Å
21	V	25.1	Very low	26.7	Very low	127 Å²	127	143.5 Å²	143.5	77%	0.77	73%	0.726	S	S	*	*			trans	-123.3	109.4	155.9	-177.6	0	0	0	0	109.3	V23	V21-V23 HydrophobicContact CG1-CG2 4.17Å; V21-V23 PolarHBondContact O-N 2.96Å
22	E	23.1	Very low	27.2	Very low	166 Å²	166	144.1 Å²	144.1	78%	0.776	72%	0.722	S	S	*	*			trans	-66.2	104.7	172.7	-124.8	-177.6	165.2	0	0	109.7
23	V	25.8	Very low	27.7	Very low	129 Å²	129	143.4 Å²	143.4	78%	0.782	72%	0.724	S	S	*	*			trans	-103.9	63.7	171.6	-168.3	0	0	0	0	109.5	V21	V21-V23 HydrophobicContact CG1-CG2 4.17Å; V21-V23 PolarHBondContact O-N 2.96Å
24	T	23.1	Very low	28.2	Very low	108 Å²	108	143.9 Å²	143.9	66%	0.663	72%	0.719	S	S	*	*			trans	-141.3	76.7	165.7	37.9	0	0	0	0	109
25	K	24.8	Very low	28.5	Very low	198 Å²	198	141.4 Å²	141.4	86%	0.861	71%	0.706	S	S	*	*	S	Bend	trans	170.7	143.4	149.5	-93.1	153.2	-172.5	179.7	0	108.3
26	C	24.7	Very low	28.9	Very low	111 Å²	111	139.7 Å²	139.7	75%	0.75	69%	0.694	S	S	*	*			trans	78.7	76.5	167.3	-52.5	0	0	0	0	118.4
27	F	27.9	Very low	29.2	Very low	188 Å²	188	133.3 Å²	133.3	83%	0.825	69%	0.686	S	S	*	*			trans	-143.7	119.8	140.4	-85.7	-69.8	0	0	0	112.3
28	P	28.4	Very low	29.7	Very low	93 Å²	93	136 Å²	136	60%	0.604	68%	0.682	S	S	*	*			trans	-67.8	149.9	176.5	-13.5	27.6	0	0	0	112.3	S30	P28-S30 PolarHBondContact O-N 2.91Å
29	R	34.3	Very low	30	Very low	237 Å²	237	134.3 Å²	134.3	89%	0.894	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-53.2	-14.5	-176.3	-78.5	178.6	167	171.9	-4.2	116.1
30	S	36.3	Very low	30.5	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-84.7	-2.4	-171.7	52.8	0	0	0	0	116.1	P28	P28-S30 PolarHBondContact O-N 2.91Å
31	N	38.3	Very low	30.6	Very low	71 Å²	71	136.1 Å²	136.1	38%	0.38	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-105.1	-2.6	177	-88.2	-31.9	0	0	0	114.9	D33 K34 L35	N31-D33 PolarHBondContact O-N 2.86Å; N31-K34 PolarHBondContact O-N 3.35Å; N31-L35 PolarHBondContact O-N 2.67Å
32	L	36.3	Very low	30.7	Very low	114 Å²	114	133.1 Å²	133.1	60%	0.597	67%	0.671	S	S	*	*	H	α-helix	trans	-65.5	-34.5	179.1	-102.5	148	0	0	0	113	L35 R36	L32-L35 PolarHBondContact O-N 2.71Å; L32-R36 PolarHBondContact O-N 2.91Å; L32-R36 VanDerWaalsContact O-N 3.09Å
33	D	35.3	Very low	31	Very low	117 Å²	117	134 Å²	134	63%	0.626	67%	0.672	S	S	*	*	H	α-helix	trans	-76.6	-27.2	178.1	-70.2	-39.1	0	0	0	113	N31 R36 G37	N31-D33 PolarHBondContact O-N 2.86Å; D33-R36 PolarHBondContact O-N 3.23Å; D33-G37 PolarHBondContact O-N 2.8Å
34	K	36.1	Very low	31.1	Very low	156 Å²	156	135 Å²	135	68%	0.678	68%	0.678	S	S	*	*	H	α-helix	trans	-72.5	-28.5	172	-73.1	-177.7	-179.1	174.1	0	112.4	N31	N31-K34 PolarHBondContact O-N 3.35Å
35	L	34.5	Very low	31.3	Very low	86 Å²	86	137.9 Å²	137.9	45%	0.45	68%	0.684	S	S	.	*	H	α-helix	trans	-75.7	-34.4	172.1	-77.7	164.2	0	0	0	112.2	M1 N31 L32 G37 R38 F39	M1-L35 HydrophobicContact SD-CD2 4.27Å; N31-L35 PolarHBondContact O-N 2.67Å; L32-L35 PolarHBondContact O-N 2.71Å; L35-G37 VanDerWaalsContact C-N 3.35Å; L35-G37 PolarHBondContact O-N 3.33Å; L35-R38 PolarHBondContact O-N 2.77Å; L35-F39 PolarHBondContact O-N 2.76Å
36	R	33.5	Very low	31.4	Very low	123 Å²	123	134.2 Å²	134.2	46%	0.464	68%	0.684	S	S	.	*	H	α-helix	trans	-59.3	-40.2	174	-91.4	-179.8	156.7	-172.4	-7.6	113.6	L32 D33 R38 I40 R249	L32-R36 PolarHBondContact O-N 2.91Å; L32-R36 VanDerWaalsContact O-N 3.09Å; D33-R36 PolarHBondContact O-N 3.23Å; R36-R38 VanDerWaalsContact C-N 3.35Å; R36-R38 PolarHBondContact O-N 2.79Å; R36-I40 WeakPolarHBondContact O-CD1 3.11Å; R36-I40 WeakPolarHBondContact O-CG1 3.01Å; R36-R249 VanDerWaalsContact NH2-NH2 3.1Å
37	G	31.2	Very low	31.4	Very low	55 Å²	55	133.6 Å²	133.6	57%	0.567	69%	0.687	S	S	*	*	H	α-helix	trans	-70.3	-26.4	-178.8	0	0	0	0	0	114.7	D33 L35	D33-G37 PolarHBondContact O-N 2.8Å; L35-G37 VanDerWaalsContact C-N 3.35Å; L35-G37 PolarHBondContact O-N 3.33Å
38	R	32.6	Very low	31.3	Very low	183 Å²	183	128.8 Å²	128.8	69%	0.691	68%	0.676	S	S	*	*	H	α-helix	trans	-93.4	-14.3	-179.5	-66.2	-177.2	-178.2	178.6	2.5	113.8	M1 L35 R36	M1-R38 HydrophobicContact CE-CB 3.27Å; M1-R38 HydrophobicContact CE-CG 3.82Å; L35-R38 PolarHBondContact O-N 2.77Å; R36-R38 VanDerWaalsContact C-N 3.35Å; R36-R38 PolarHBondContact O-N 2.79Å
39	F	31.1	Very low	31.4	Very low	116 Å²	116	128.3 Å²	128.3	51%	0.509	67%	0.674	S	S	.	*	H	α-helix	trans	-76.6	-19.6	175.4	-112.8	-88.3	0	0	0	114.1	L3 L35	L3-F39 HydrophobicContact CB-CZ 4.2Å; L3-F39 HydrophobicContact CD1-CE2 3.38Å; L3-F39 HydrophobicContact CD1-CZ 3.52Å; L3-F39 HydrophobicContact CD2-CE2 4.41Å; L3-F39 HydrophobicContact CD2-CZ 3.95Å; L3-F39 HydrophobicContact CG-CE2 4.37Å; L3-F39 HydrophobicContact CG-CZ 4.06Å; L35-F39 PolarHBondContact O-N 2.76Å
40	I	33.4	Very low	31.2	Very low	146 Å²	146	124.5 Å²	124.5	75%	0.749	66%	0.66	S	S	*	*	S	Bend	trans	-96	-3.4	-168.3	-61.5	173.5	0	0	0	112.9	R36	R36-I40 WeakPolarHBondContact O-CD1 3.11Å; R36-I40 WeakPolarHBondContact O-CG1 3.01Å
41	R	27.9	Very low	31.5	Very low	241 Å²	241	122.3 Å²	122.3	91%	0.909	64%	0.643	S	S	*	*	S	Bend	trans	-132.1	27.3	-168.9	-120.2	-178.3	-163.8	-151.4	4	116.5
42	G	27	Very low	32.3	Very low	64 Å²	64	120.5 Å²	120.5	66%	0.66	64%	0.636	S	S	*	*	S	Bend	trans	-125.6	89.7	-175.9	0	0	0	0	0	114.5
43	K	28.5	Very low	33.3	Very low	186 Å²	186	117.6 Å²	117.6	81%	0.809	62%	0.623	S	S	*	*			trans	53.4	110.9	149.4	-67.5	-174.8	172.8	-172.8	0	119.5	E45	K43-E45 PolarHBondContact O-N 2.84Å
44	T	27.2	Very low	34.9	Very low	148 Å²	148	113.4 Å²	113.4	91%	0.908	60%	0.598	S	S	*	*			trans	-57.1	83.8	157.1	44.9	0	0	0	0	112.2
45	E	28.4	Very low	36.2	Very low	170 Å²	170	109.7 Å²	109.7	79%	0.794	59%	0.592	S	S	*	*			trans	-133.3	132.1	156	-76.4	176.9	-176.9	0	0	107.4	K43 A47	K43-E45 PolarHBondContact O-N 2.84Å; E45-A47 PolarHBondContact O-N 3.44Å
46	S	26.5	Very low	37.3	Very low	121 Å²	121	106.7 Å²	106.7	85%	0.846	58%	0.579	S	S	*	*			trans	-48.4	97.1	-166.5	47.8	0	0	0	0	115.4	S48	S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 PolarHBondContact O-N 3.16Å
47	A	26	Very low	38.5	Very low	98 Å²	98	101.2 Å²	101.2	81%	0.81	56%	0.559	S	S	*	*			trans	-77	82	159.2	0	0	0	0	0	108.8	E45 C49	E45-A47 PolarHBondContact O-N 3.44Å; A47-C49 PolarHBondContact O-N 2.83Å
48	S	25.1	Very low	39.5	Very low	87 Å²	87	103 Å²	103	61%	0.608	55%	0.548	S	S	*	.			trans	-64.7	111.2	162.5	170.6	0	0	0	0	107.6	S46 R50	S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 PolarHBondContact O-N 3.16Å; S48-R50 PolarHBondContact O-N 2.76Å
49	C	29.6	Very low	40.5	Very low	83 Å²	83	96.5 Å²	96.5	56%	0.561	53%	0.527	S	S	*	.			trans	-62.3	95.3	157.5	-68.8	0	0	0	0	105.6	A47 P51	A47-C49 PolarHBondContact O-N 2.83Å; C49-P51 WeakPolarHBondContact O-CD 3.38Å
50	R	30.2	Very low	41.6	Very low	157 Å²	157	97 Å²	97	59%	0.592	54%	0.535	S	S	*	.			trans	-57.4	129.2	174.6	-92.9	-172.3	172	-173	-3.1	108.2	D9 S48 S52	D9-R50 VanDerWaalsContact OD2-CD 3.27Å; D9-R50 WeakPolarHBondContact OD2-CD 3.43Å; D9-R50 IonicContact OD2-CZ 3.55Å; D9-R50 IonicContact OD2-NH1 2.74Å; D9-R50 PolarHBondContact OD2-NH1 3.38Å; S48-R50 PolarHBondContact O-N 2.76Å; R50-S52 PolarHBondContact O-N 2.79Å; R50-S52 VanDerWaalsContact O-N 3.15Å
51	P	42.6	Very low	42.7	Very low	47 Å²	47	94.3 Å²	94.3	31%	0.305	53%	0.53	S	S	.	.			trans	-59.7	117.6	176	-24.1	34.9	0	0	0	110	C49 V53 Q190	C49-P51 WeakPolarHBondContact O-CD 3.38Å; P51-V53 PolarHBondContact O-N 2.92Å; P51-Q190 HydrophobicContact CB-CB 3.74Å; P51-Q190 HydrophobicContact CB-CG 3.41Å; P51-Q190 VanDerWaalsContact CB-CG 3.41Å; P51-Q190 VanDerWaalsContact CB-OE1 3.3Å; P51-Q190 HydrophobicContact CG-CG 4.36Å; P51-Q190 VanDerWaalsContact CG-OE1 3.32Å
52	S	56.6	Low	44.6	Very low	32 Å²	32	84.8 Å²	84.8	22%	0.224	50%	0.498	C	S	.	.			trans	-80.4	92.6	-180	122.9	0	0	0	0	108.2	R50 R54 K98	R50-S52 PolarHBondContact O-N 2.79Å; R50-S52 VanDerWaalsContact O-N 3.15Å; S52-R54 WeakPolarHBondContact OG-CG 3.38Å; S52-K98 PolarHBondContact O-NZ 3.15Å
53	V	57	Low	47	Very low	53 Å²	53	84.4 Å²	84.4	32%	0.321	49%	0.485	S	S	.	.			trans	-71.8	120.2	156.8	177.9	0	0	0	0	106.1	P51 D188 Q190 E206 L208	P51-V53 PolarHBondContact O-N 2.92Å; V53-D188 WeakPolarHBondContact CG1-O 3.47Å; V53-Q190 HydrophobicContact CG2-CB 4.46Å; V53-Q190 HydrophobicContact CG2-CG 3.25Å; V53-E206 HydrophobicContact CG2-CB 4.34Å; V53-E206 HydrophobicContact CG2-CG 3.79Å; V53-L208 HydrophobicContact CG1-CD2 4.08Å
54	R	67.7	Low	49.5	Very low	29 Å²	29	79 Å²	79	11%	0.109	47%	0.467	C	S	.	.			trans	-99.8	108.6	175.5	-49	-175.4	63.4	-151.4	-14.5	107.7	S52 E71 L74 S103 R106 D188	S52-R54 WeakPolarHBondContact OG-CG 3.38Å; R54-E71 IonicContact CZ-OE1 2.84Å; R54-E71 IonicContact CZ-OE2 3.06Å; R54-E71 VanDerWaalsContact CZ-OE2 3.23Å; R54-E71 IonicContact NH1-OE1 3.9Å; R54-E71 IonicContact NH1-OE2 3.58Å; R54-E71 PolarHBondContact NH1-OE2 2.96Å; R54-E71 IonicContact NH2-OE1 2.76Å; R54-E71 PolarHBondContact NH2-OE1 3.02Å; R54-E71 IonicContact NH2-OE2 2.65Å; R54-E71 PolarHBondContact NH2-OE2 2.83Å; R54-L74 VanDerWaalsContact CZ-CD1 3.45Å; R54-S103 PolarHBondContact NH1-OG 3.31Å; R54-S103 VanDerWaalsContact NH1-OG 3.08Å; R54-R106 VanDerWaalsContact CB-NH2 3.34Å; R54-R106 PolarHBondContact O-NH2 2.9Å; R54-D188 WeakPolarHBondContact CA-OD1 3.36Å; R54-D188 WeakPolarHBondContact CB-OD1 3.22Å; R54-D188 PolarHBondContact N-OD1 3.13Å; R54-D188 VanDerWaalsContact N-OD1 3.12Å
55	S	62.8	Low	52.2	Low	78 Å²	78	82 Å²	82	55%	0.545	46%	0.462	S	S	.	.			trans	-61.7	164.5	175	60.9	0	0	0	0	111.7	R106	S55-R106 PolarHBondContact O-NH2 2.83Å
56	S	59.4	Low	54.9	Low	24 Å²	24	78.8 Å²	78.8	17%	0.168	45%	0.447	C	S	.	.			trans	-27.7	133.4	175	171	0	0	0	0	114.2	R58 D185 C187	S56-R58 PolarHBondContact O-N 3.08Å; S56-R58 PolarHBondContact OG-N 2.74Å; S56-D185 WeakPolarHBondContact CA-OD1 3.3Å; S56-D185 WeakPolarHBondContact CB-OD1 3.46Å; S56-D185 WeakPolarHBondContact CB-OD2 3.11Å; S56-D185 PolarHBondContact OG-OD1 2.86Å; S56-D185 PolarHBondContact OG-OD2 3.45Å; S56-C187 VanDerWaalsContact CA-SG 3.59Å; S56-C187 PolarHBondContact N-SG 2.85Å
57	C	58.1	Low	57.5	Low	7 Å²	7	74.1 Å²	74.1	5%	0.047	41%	0.413	C	S	.	.	S	Bend	trans	-74.5	-8.1	176.7	43.3	0	0	0	0	113.6	N59 N67 R106 Y110 Q184 D185 V186	C57-N59 PolarHBondContact O-N 2.84Å; C57-N67 PolarHBondContact O-ND2 3.16Å; C57-R106 HydrophobicContact CB-CG 4.49Å; C57-Y110 HydrophobicContact CB-CE1 3.92Å; C57-Y110 WeakPolarHBondContact CB-OH 3.27Å; C57-Q184 PolarHBondContact SG-O 3.41Å; C57-D185 PolarHBondContact N-OD1 2.82Å; C57-D185 VanDerWaalsContact SG-CA 3.55Å; C57-D185 PolarHBondContact SG-OD1 2.87Å; C57-V186 PolarHBondContact SG-N 3.46Å; C57-V186 VanDerWaalsContact SG-N 3.4Å
58	R	52.4	Low	60.5	Low	92 Å²	92	71.5 Å²	71.5	35%	0.347	39%	0.385	S	S	.	.			trans	-87.6	79.9	173.9	-74.3	-176.2	169.4	177.6	-4.7	110	S56	S56-R58 PolarHBondContact O-N 3.08Å; S56-R58 PolarHBondContact OG-N 2.74Å
59	N	53.6	Low	63.5	Low	47 Å²	47	71.9 Å²	71.9	25%	0.251	38%	0.376	S	S	.	.			trans	-86.5	105	154.2	-166	-17.4	0	0	0	108.2	F12 C57 S61 V62	F12-N59 WeakPolarHBondContact CE1-ND2 3.23Å; F12-N59 VanDerWaalsContact CE2-ND2 3.34Å; F12-N59 WeakPolarHBondContact CE2-ND2 3.4Å; F12-N59 WeakPolarHBondContact CZ-ND2 3.26Å; C57-N59 PolarHBondContact O-N 2.84Å; N59-S61 PolarHBondContact ND2-OG 2.9Å; N59-S61 PolarHBondContact O-N 2.82Å; N59-S61 PolarHBondContact OD1-N 2.88Å; N59-S61 PolarHBondContact OD1-OG 2.82Å; N59-V62 HydrophobicContact CB-CG2 4.38Å; N59-V62 PolarHBondContact O-N 2.87Å
60	N	53.6	Low	66.2	Low	127 Å²	127	71.3 Å²	71.3	68%	0.679	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.7	-179.7	-71.9	-15.6	0	0	0	113.2
61	S	57.5	Low	69	Low	90 Å²	90	64.1 Å²	64.1	63%	0.629	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-11.5	177.1	66.5	0	0	0	0	114.8	N59	N59-S61 PolarHBondContact ND2-OG 2.9Å; N59-S61 PolarHBondContact O-N 2.82Å; N59-S61 PolarHBondContact OD1-N 2.88Å; N59-S61 PolarHBondContact OD1-OG 2.82Å
62	V	67.6	Low	71.2	Confident	41 Å²	41	64.9 Å²	64.9	25%	0.248	35%	0.349	C	S	.	.	S	Bend	trans	-119.6	133.8	-173.4	-176.1	0	0	0	0	110.6	F12 N59 E66 N67	F12-V62 HydrophobicContact CZ-CG2 4.47Å; N59-V62 HydrophobicContact CB-CG2 4.38Å; N59-V62 PolarHBondContact O-N 2.87Å; V62-E66 HydrophobicContact CG1-CB 3.52Å; V62-E66 HydrophobicContact CG1-CG 4.5Å; V62-N67 VanDerWaalsContact CG1-OD1 3.26Å; V62-N67 WeakPolarHBondContact CG1-OD1 3.45Å
63	S	76.9	Confident	72.8	Confident	55 Å²	55	70 Å²	70	39%	0.385	36%	0.363	S	S	.	.			trans	-65.8	147.2	-179.6	68.7	0	0	0	0	111.4	R65 E66 N67	S63-R65 PolarHBondContact O-N 2.85Å; S63-R65 VanDerWaalsContact O-N 3.08Å; S63-E66 WeakPolarHBondContact CB-OE2 3.01Å; S63-E66 PolarHBondContact N-OE2 3.48Å; S63-E66 WeakPolarHBondContact O-CB 3.34Å; S63-E66 PolarHBondContact O-N 3.15Å; S63-E66 VanDerWaalsContact OG-CD 3.23Å; S63-E66 VanDerWaalsContact OG-CG 3.24Å; S63-E66 WeakPolarHBondContact OG-CG 3.31Å; S63-E66 PolarHBondContact OG-N 2.48Å; S63-E66 PolarHBondContact OG-OE2 2.88Å; S63-N67 PolarHBondContact O-N 2.76Å
64	V	80.4	Confident	74.3	Confident	72 Å²	72	68.4 Å²	68.4	44%	0.436	35%	0.353	S	S	.	.	H	α-helix	trans	-52.8	-35.4	175.2	177.1	0	0	0	0	111.4	N67 I68 Y110	V64-N67 PolarHBondContact O-N 2.98Å; V64-I68 HydrophobicContact CG1-CD1 4Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 VanDerWaalsContact O-CG1 3.27Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.06Å; V64-Y110 HydrophobicContact CG1-CD1 4.26Å; V64-Y110 HydrophobicContact CG1-CG 4.31Å
65	R	83.8	Confident	75.3	Confident	212 Å²	212	69.7 Å²	69.7	80%	0.8	36%	0.359	S	S	*	.	H	α-helix	trans	-64.9	-40.8	177.8	-172.4	177.1	-175	172.9	2.2	112.8	S63 K69	S63-R65 PolarHBondContact O-N 2.85Å; S63-R65 VanDerWaalsContact O-N 3.08Å; R65-K69 PolarHBondContact O-N 2.96Å; R65-K69 VanDerWaalsContact O-N 3.09Å
66	E	84.5	Confident	76.4	Confident	102 Å²	102	68.2 Å²	68.2	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-68	-42.5	175.4	-74.7	163.1	144.2	0	0	110.9	V62 S63 I68 K69 V70	V62-E66 HydrophobicContact CG1-CB 3.52Å; V62-E66 HydrophobicContact CG1-CG 4.5Å; S63-E66 WeakPolarHBondContact CB-OE2 3.01Å; S63-E66 PolarHBondContact N-OE2 3.48Å; S63-E66 WeakPolarHBondContact O-CB 3.34Å; S63-E66 PolarHBondContact O-N 3.15Å; S63-E66 VanDerWaalsContact OG-CD 3.23Å; S63-E66 VanDerWaalsContact OG-CG 3.24Å; S63-E66 WeakPolarHBondContact OG-CG 3.31Å; S63-E66 PolarHBondContact OG-N 2.48Å; S63-E66 PolarHBondContact OG-OE2 2.88Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 2.97Å; E66-K69 WeakPolarHBondContact O-CB 3.47Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K69 VanDerWaalsContact O-N 3.09Å; E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 3.11Å
67	N	83	Confident	77.8	Confident	24 Å²	24	69.5 Å²	69.5	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-58.7	-44.7	174.6	-74.3	-18.2	0	0	0	111.9	C57 V62 S63 V64 K69 V70 E71 Y110	C57-N67 PolarHBondContact O-ND2 3.16Å; V62-N67 VanDerWaalsContact CG1-OD1 3.26Å; V62-N67 WeakPolarHBondContact CG1-OD1 3.45Å; S63-N67 PolarHBondContact O-N 2.76Å; V64-N67 PolarHBondContact O-N 2.98Å; N67-K69 VanDerWaalsContact C-N 3.33Å; N67-K69 PolarHBondContact O-N 3.31Å; N67-V70 PolarHBondContact O-N 3.13Å; N67-E71 WeakPolarHBondContact O-CG 3.43Å; N67-E71 PolarHBondContact O-N 2.85Å; N67-Y110 HydrophobicContact CB-CE1 4.18Å; N67-Y110 HydrophobicContact CB-CE2 3.75Å; N67-Y110 WeakPolarHBondContact CB-OH 3.42Å
68	I	87.7	Confident	79.2	Confident	42 Å²	42	69.4 Å²	69.4	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-57.6	-45.2	173.3	-70.8	165.5	0	0	0	111	V64 E66 V70 E71 S72 L107 Y110	V64-I68 HydrophobicContact CG1-CD1 4Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 VanDerWaalsContact O-CG1 3.27Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.06Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 2.97Å; I68-V70 VanDerWaalsContact C-N 3.34Å; I68-V70 PolarHBondContact O-N 3.06Å; I68-E71 PolarHBondContact O-N 3.45Å; I68-S72 WeakPolarHBondContact O-CB 3.37Å; I68-S72 PolarHBondContact O-N 3.34Å; I68-L107 HydrophobicContact CB-CD2 4.37Å; I68-L107 HydrophobicContact CG2-CD2 3.93Å; I68-Y110 HydrophobicContact CB-CD2 4.43Å; I68-Y110 HydrophobicContact CG1-CD2 3.54Å; I68-Y110 HydrophobicContact CG1-CE2 4.47Å; I68-Y110 HydrophobicContact CG1-CG 3.88Å
69	K	88	Confident	80.8	Confident	96 Å²	96	68.3 Å²	68.3	42%	0.417	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-41.2	179.4	-176.3	-179.5	177.3	-176	0	111.6	Y20 R65 E66 N67 R73	Y20-K69 PolarHBondContact OH-NZ 3.43Å; R65-K69 PolarHBondContact O-N 2.96Å; R65-K69 VanDerWaalsContact O-N 3.09Å; E66-K69 WeakPolarHBondContact O-CB 3.47Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K69 VanDerWaalsContact O-N 3.09Å; N67-K69 VanDerWaalsContact C-N 3.33Å; N67-K69 PolarHBondContact O-N 3.31Å; K69-R73 VanDerWaalsContact CE-CZ 3.48Å; K69-R73 VanDerWaalsContact O-CG 3.28Å; K69-R73 WeakPolarHBondContact O-CG 3.46Å; K69-R73 PolarHBondContact O-N 2.95Å
70	V	86.7	Confident	82.3	Confident	71 Å²	71	72 Å²	72	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-65.9	-53	177.2	172.9	0	0	0	0	110.4	E66 N67 I68 S72 R73 L74	E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 3.11Å; N67-V70 PolarHBondContact O-N 3.13Å; I68-V70 VanDerWaalsContact C-N 3.34Å; I68-V70 PolarHBondContact O-N 3.06Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 2.92Å; V70-R73 PolarHBondContact O-N 3.43Å; V70-R73 VanDerWaalsContact O-N 3.15Å; V70-L74 HydrophobicContact CG1-CD1 3.87Å; V70-L74 HydrophobicContact CG1-CG 4.39Å; V70-L74 WeakPolarHBondContact O-CG 3.48Å; V70-L74 PolarHBondContact O-N 2.94Å
71	E	88.9	Confident	83.8	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.028	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-38.2	-179.6	-65.4	-57.4	163.8	0	0	112.6	R54 N67 I68 R73 L74 K75 S103 R106 L107 Y110	R54-E71 IonicContact CZ-OE1 2.84Å; R54-E71 IonicContact CZ-OE2 3.06Å; R54-E71 VanDerWaalsContact CZ-OE2 3.23Å; R54-E71 IonicContact NH1-OE1 3.9Å; R54-E71 IonicContact NH1-OE2 3.58Å; R54-E71 PolarHBondContact NH1-OE2 2.96Å; R54-E71 IonicContact NH2-OE1 2.76Å; R54-E71 PolarHBondContact NH2-OE1 3.02Å; R54-E71 IonicContact NH2-OE2 2.65Å; R54-E71 PolarHBondContact NH2-OE2 2.83Å; N67-E71 WeakPolarHBondContact O-CG 3.43Å; N67-E71 PolarHBondContact O-N 2.85Å; I68-E71 PolarHBondContact O-N 3.45Å; E71-R73 VanDerWaalsContact C-N 3.34Å; E71-R73 PolarHBondContact O-N 2.79Å; E71-L74 PolarHBondContact O-N 3.24Å; E71-K75 WeakPolarHBondContact O-CB 3.25Å; E71-K75 PolarHBondContact O-N 3.25Å; E71-S103 PolarHBondContact OE2-OG 2.86Å; E71-R106 VanDerWaalsContact CD-CD 3.48Å; E71-R106 HydrophobicContact CG-CB 3.96Å; E71-R106 WeakPolarHBondContact OE1-CD 3.26Å; E71-R106 IonicContact OE1-CZ 2.64Å; E71-R106 IonicContact OE1-NE 3.23Å; E71-R106 IonicContact OE1-NH1 2.96Å; E71-R106 PolarHBondContact OE1-NH1 2.96Å; E71-R106 VanDerWaalsContact OE1-NH1 3.11Å; E71-L107 HydrophobicContact CB-CD1 4.38Å; E71-L107 HydrophobicContact CB-CD2 3.84Å; E71-L107 HydrophobicContact CB-CG 3.82Å; E71-Y110 HydrophobicContact CB-CE2 4.43Å; E71-Y110 HydrophobicContact CG-CE2 3.62Å
72	S	89.7	Confident	85	Confident	63 Å²	63	65.6 Å²	65.6	44%	0.441	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-42	175.5	-179.7	0	0	0	0	112.1	I68 V70 S76	I68-S72 WeakPolarHBondContact O-CB 3.37Å; I68-S72 PolarHBondContact O-N 3.34Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 2.92Å; S72-S76 WeakPolarHBondContact O-CB 3.24Å; S72-S76 PolarHBondContact O-N 2.87Å
73	R	90.2	Very high	85.7	Confident	140 Å²	140	69.6 Å²	69.6	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-42.8	176.4	-74.5	172.6	172.5	-167.5	-6	111.8	K69 V70 E71 S76 A77	K69-R73 VanDerWaalsContact CE-CZ 3.48Å; K69-R73 VanDerWaalsContact O-CG 3.28Å; K69-R73 WeakPolarHBondContact O-CG 3.46Å; K69-R73 PolarHBondContact O-N 2.95Å; V70-R73 PolarHBondContact O-N 3.43Å; V70-R73 VanDerWaalsContact O-N 3.15Å; E71-R73 VanDerWaalsContact C-N 3.34Å; E71-R73 PolarHBondContact O-N 2.79Å; R73-S76 PolarHBondContact O-N 3.4Å; R73-A77 WeakPolarHBondContact O-CB 3.47Å; R73-A77 PolarHBondContact O-N 2.9Å
74	L	88	Confident	86	Confident	19 Å²	19	71 Å²	71	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-47.6	177.2	-72.6	173.6	0	0	0	111.7	I8 R54 V70 E71 A77 A78	I8-L74 HydrophobicContact CD1-CD2 3.16Å; I8-L74 HydrophobicContact CG1-CD2 4.46Å; I8-L74 HydrophobicContact CG2-CD2 4.35Å; R54-L74 VanDerWaalsContact CZ-CD1 3.45Å; V70-L74 HydrophobicContact CG1-CD1 3.87Å; V70-L74 HydrophobicContact CG1-CG 4.39Å; V70-L74 WeakPolarHBondContact O-CG 3.48Å; V70-L74 PolarHBondContact O-N 2.94Å; E71-L74 PolarHBondContact O-N 3.24Å; L74-A77 PolarHBondContact O-N 3.15Å; L74-A78 WeakPolarHBondContact O-CB 3.38Å; L74-A78 PolarHBondContact O-N 3.49Å
75	K	88.4	Confident	85.9	Confident	56 Å²	56	68.3 Å²	68.3	24%	0.243	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-51.1	174.4	-174.3	179.9	167.4	-169.6	0	111.3	E71 A77 A78 E79 K104 L107	E71-K75 WeakPolarHBondContact O-CB 3.25Å; E71-K75 PolarHBondContact O-N 3.25Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 2.91Å; K75-A78 PolarHBondContact O-N 2.92Å; K75-E79 WeakPolarHBondContact CE-OE1 3.42Å; K75-E79 WeakPolarHBondContact O-CG 3.33Å; K75-E79 PolarHBondContact O-N 3.02Å; K75-K104 HydrophobicContact CD-CB 4.34Å; K75-L107 HydrophobicContact CD-CD1 3.96Å
76	S	86.8	Confident	85.6	Confident	47 Å²	47	60.4 Å²	60.4	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-37.9	179.9	-175	0	0	0	0	112.8	S72 R73 K80	S72-S76 WeakPolarHBondContact O-CB 3.24Å; S72-S76 PolarHBondContact O-N 2.87Å; R73-S76 PolarHBondContact O-N 3.4Å; S76-K80 VanDerWaalsContact O-CG 3.31Å; S76-K80 WeakPolarHBondContact O-CG 3.41Å; S76-K80 PolarHBondContact O-N 3.32Å; S76-K80 VanDerWaalsContact O-N 3.07Å
77	A	87	Confident	85.3	Confident	51 Å²	51	59.9 Å²	59.9	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-46	175.9	0	0	0	0	0	111.6	R73 L74 K75 K80 I81	R73-A77 WeakPolarHBondContact O-CB 3.47Å; R73-A77 PolarHBondContact O-N 2.9Å; L74-A77 PolarHBondContact O-N 3.15Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 2.91Å; A77-K80 PolarHBondContact O-N 3.47Å; A77-I81 PolarHBondContact O-N 2.97Å
78	A	87.8	Confident	85.1	Confident	4 Å²	4	61.9 Å²	61.9	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-46.6	175.2	0	0	0	0	0	112	L74 K75 K80 I81 L82 A96	L74-A78 WeakPolarHBondContact O-CB 3.38Å; L74-A78 PolarHBondContact O-N 3.49Å; K75-A78 PolarHBondContact O-N 2.92Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 3.28Å; A78-I81 WeakPolarHBondContact O-CB 3.45Å; A78-I81 PolarHBondContact O-N 3.36Å; A78-I81 VanDerWaalsContact O-N 3.11Å; A78-L82 WeakPolarHBondContact O-CG 3.36Å; A78-L82 PolarHBondContact O-N 3.46Å; A78-A96 HydrophobicContact CB-CB 4.49Å; A78-A96 WeakPolarHBondContact CB-O 3.3Å
79	E	86.2	Confident	84.8	Confident	70 Å²	70	63.7 Å²	63.7	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-37.2	177.2	-73.1	171.8	168.4	0	0	112.4	K75 L82 Q83	K75-E79 WeakPolarHBondContact CE-OE1 3.42Å; K75-E79 WeakPolarHBondContact O-CG 3.33Å; K75-E79 PolarHBondContact O-N 3.02Å; E79-L82 PolarHBondContact O-N 3.03Å; E79-Q83 WeakPolarHBondContact O-CB 3.33Å; E79-Q83 VanDerWaalsContact O-CG 3.23Å; E79-Q83 WeakPolarHBondContact O-CG 3.27Å; E79-Q83 PolarHBondContact O-N 3.09Å
80	K	85.9	Confident	84.3	Confident	125 Å²	125	60.6 Å²	60.6	54%	0.543	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-39.2	174.6	-74.5	171.7	-173.4	176.9	0	112.5	S76 A77 A78 Q83 Q84	S76-K80 VanDerWaalsContact O-CG 3.31Å; S76-K80 WeakPolarHBondContact O-CG 3.41Å; S76-K80 PolarHBondContact O-N 3.32Å; S76-K80 VanDerWaalsContact O-N 3.07Å; A77-K80 PolarHBondContact O-N 3.47Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 3.28Å; K80-Q83 PolarHBondContact O-N 3.04Å; K80-Q84 WeakPolarHBondContact O-CG 3.12Å; K80-Q84 PolarHBondContact O-N 3.4Å
81	I	84.3	Confident	84.2	Confident	50 Å²	50	61.5 Å²	61.5	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-47	174.8	-66.8	169.7	0	0	0	109.6	A77 A78 Q83 Q84 W85 Y88 L93 A96	A77-I81 PolarHBondContact O-N 2.97Å; A78-I81 WeakPolarHBondContact O-CB 3.45Å; A78-I81 PolarHBondContact O-N 3.36Å; A78-I81 VanDerWaalsContact O-N 3.11Å; I81-Q83 PolarHBondContact O-N 2.92Å; I81-Q84 CarbonylContact O-C 3.55Å; I81-Q84 WeakPolarHBondContact O-CA 3.49Å; I81-Q84 PolarHBondContact O-N 2.91Å; I81-W85 PolarHBondContact O-N 3.12Å; I81-W85 VanDerWaalsContact O-N 3.17Å; I81-Y88 HydrophobicContact CB-CE2 4.36Å; I81-Y88 HydrophobicContact CG1-CE2 4.42Å; I81-Y88 HydrophobicContact CG2-CD1 4.25Å; I81-Y88 HydrophobicContact CG2-CD2 3.74Å; I81-Y88 HydrophobicContact CG2-CE1 4.47Å; I81-Y88 HydrophobicContact CG2-CE2 3.99Å; I81-Y88 HydrophobicContact CG2-CG 3.89Å; I81-L93 HydrophobicContact CG2-CD2 4.29Å; I81-A96 HydrophobicContact CB-CB 3.97Å; I81-A96 HydrophobicContact CD1-CB 4.38Å; I81-A96 HydrophobicContact CG2-CB 3.69Å
82	L	84.1	Confident	84	Confident	31 Å²	31	62.2 Å²	62.2	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-37.3	178.9	-63.7	171.3	0	0	0	112.5	A78 E79 Q84 W85 A96	A78-L82 WeakPolarHBondContact O-CG 3.36Å; A78-L82 PolarHBondContact O-N 3.46Å; E79-L82 PolarHBondContact O-N 3.03Å; L82-Q84 PolarHBondContact O-N 3.1Å; L82-W85 VanDerWaalsContact O-CB 3.31Å; L82-W85 WeakPolarHBondContact O-CB 3.43Å; L82-W85 PolarHBondContact O-N 2.7Å; L82-A96 HydrophobicContact CD2-CB 4.06Å; L82-A96 HydrophobicContact CG-CB 4.12Å
83	Q	81.6	Confident	83.7	Confident	126 Å²	126	59.2 Å²	59.2	59%	0.589	30%	0.297	S	S	*	.	H	α-helix	trans	-63.9	-22.8	173.5	-76.6	173.9	8.4	0	0	113.1	E79 K80 I81 W86 R248	E79-Q83 WeakPolarHBondContact O-CB 3.33Å; E79-Q83 VanDerWaalsContact O-CG 3.23Å; E79-Q83 WeakPolarHBondContact O-CG 3.27Å; E79-Q83 PolarHBondContact O-N 3.09Å; K80-Q83 PolarHBondContact O-N 3.04Å; I81-Q83 PolarHBondContact O-N 2.92Å; Q83-W86 WeakPolarHBondContact O-CH2 3.3Å; Q83-W86 WeakPolarHBondContact O-CZ3 3.08Å; Q83-R248 PolarHBondContact O-NH1 3.21Å; Q83-R248 VanDerWaalsContact O-NH1 3.09Å
84	Q	82.4	Confident	83.6	Confident	84 Å²	84	52.6 Å²	52.6	39%	0.393	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	28	179.4	-65.6	-175.9	-6.7	0	0	112.3	K80 I81 L82 W86 L87 Y88	K80-Q84 WeakPolarHBondContact O-CG 3.12Å; K80-Q84 PolarHBondContact O-N 3.4Å; I81-Q84 CarbonylContact O-C 3.55Å; I81-Q84 WeakPolarHBondContact O-CA 3.49Å; I81-Q84 PolarHBondContact O-N 2.91Å; L82-Q84 PolarHBondContact O-N 3.1Å; Q84-W86 HydrophobicContact CB-CH2 4.42Å; Q84-W86 HydrophobicContact CG-CH2 4.38Å; Q84-W86 PolarHBondContact O-N 2.91Å; Q84-L87 HydrophobicContact CB-CD1 4.16Å; Q84-L87 WeakPolarHBondContact O-CB 3.42Å; Q84-L87 PolarHBondContact O-N 3.01Å; Q84-Y88 HydrophobicContact CB-CE2 3.99Å; Q84-Y88 WeakPolarHBondContact O-CD2 3.47Å
85	W	79.1	Confident	83.7	Confident	16 Å²	16	53.7 Å²	53.7	6%	0.061	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-52	-30.5	-166.1	63.1	-91.1	0	0	0	115.3	I81 L82 L87 Y88 L93 R241 M244 I263	I81-W85 PolarHBondContact O-N 3.12Å; I81-W85 VanDerWaalsContact O-N 3.17Å; L82-W85 VanDerWaalsContact O-CB 3.31Å; L82-W85 WeakPolarHBondContact O-CB 3.43Å; L82-W85 PolarHBondContact O-N 2.7Å; W85-L87 PolarHBondContact O-N 3.1Å; W85-Y88 PolarHBondContact O-N 3.1Å; W85-L93 HydrophobicContact CB-CD1 3.98Å; W85-L93 HydrophobicContact CB-CD2 3.67Å; W85-R241 HydrophobicContact CE3-CG 4.42Å; W85-R241 HydrophobicContact CH2-CG 4.08Å; W85-R241 HydrophobicContact CZ3-CG 3.5Å; W85-R241 PolarHBondContact O-NH1 3.23Å; W85-M244 HydrophobicContact CH2-CE 3.41Å; W85-M244 VanDerWaalsContact CH2-CE 3.41Å; W85-M244 HydrophobicContact CH2-SD 3.7Å; W85-M244 HydrophobicContact CZ2-CB 4.43Å; W85-M244 HydrophobicContact CZ2-CE 3.93Å; W85-M244 HydrophobicContact CZ2-SD 3.53Å; W85-M244 VanDerWaalsContact CZ2-SD 3.53Å; W85-I263 HydrophobicContact CH2-CG2 3.72Å; W85-I263 HydrophobicContact CZ2-CG2 3.85Å; W85-I263 HydrophobicContact CZ3-CG2 4.3Å
86	W	77.1	Confident	83.6	Confident	46 Å²	46	51.3 Å²	51.3	17%	0.174	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.7	-20	179.3	64.6	88.3	0	0	0	113.6	Q83 Q84 E245 R248	Q83-W86 WeakPolarHBondContact O-CH2 3.3Å; Q83-W86 WeakPolarHBondContact O-CZ3 3.08Å; Q84-W86 HydrophobicContact CB-CH2 4.42Å; Q84-W86 HydrophobicContact CG-CH2 4.38Å; Q84-W86 PolarHBondContact O-N 2.91Å; W86-E245 HydrophobicContact CG-CB 4.23Å; W86-R248 VanDerWaalsContact CH2-NH1 3.35Å; W86-R248 VanDerWaalsContact CZ3-CD 3.48Å
87	L	79.1	Confident	83.8	Confident	91 Å²	91	49.2 Å²	49.2	48%	0.476	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-83.1	-16.7	178.7	-63.2	-178.5	0	0	0	113.6	Q84 W85	Q84-L87 HydrophobicContact CB-CD1 4.16Å; Q84-L87 WeakPolarHBondContact O-CB 3.42Å; Q84-L87 PolarHBondContact O-N 3.01Å; W85-L87 PolarHBondContact O-N 3.1Å
88	Y	78.1	Confident	84	Confident	65 Å²	65	46.9 Å²	46.9	26%	0.255	23%	0.233	S	C	.	.	S	Bend	trans	-117.2	144.1	-169.9	-61.7	-86.6	0	0	0	111.8	I81 Q84 W85 R241	I81-Y88 HydrophobicContact CB-CE2 4.36Å; I81-Y88 HydrophobicContact CG1-CE2 4.42Å; I81-Y88 HydrophobicContact CG2-CD1 4.25Å; I81-Y88 HydrophobicContact CG2-CD2 3.74Å; I81-Y88 HydrophobicContact CG2-CE1 4.47Å; I81-Y88 HydrophobicContact CG2-CE2 3.99Å; I81-Y88 HydrophobicContact CG2-CG 3.89Å; Q84-Y88 HydrophobicContact CB-CE2 3.99Å; Q84-Y88 WeakPolarHBondContact O-CD2 3.47Å; W85-Y88 PolarHBondContact O-N 3.1Å; Y88-R241 PolarHBondContact O-NH1 3.1Å
89	P	80.9	Confident	84.1	Confident	80 Å²	80	47.8 Å²	47.8	52%	0.519	24%	0.239	S	C	.	.			trans	-65.5	158.8	174.6	29.4	-35.6	0	0	0	111.8	N91 A92 L93	P89-N91 VanDerWaalsContact C-N 3.28Å; P89-N91 VanDerWaalsContact CB-OD1 3.25Å; P89-N91 WeakPolarHBondContact CB-OD1 3.42Å; P89-N91 WeakPolarHBondContact CG-OD1 3.33Å; P89-N91 PolarHBondContact O-N 3.31Å; P89-A92 HydrophobicContact CG-CB 3.96Å; P89-A92 PolarHBondContact O-N 3.45Å; P89-L93 PolarHBondContact O-N 2.92Å; P89-L93 VanDerWaalsContact O-N 3.1Å
90	D	78.6	Confident	84.3	Confident	31 Å²	31	45.3 Å²	45.3	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-38	-173.6	-71.3	-36.9	0	0	0	113.2	A92 L93 S94 R241	D90-A92 PolarHBondContact O-N 2.84Å; D90-L93 WeakPolarHBondContact O-CB 3.13Å; D90-L93 PolarHBondContact O-N 3.35Å; D90-S94 PolarHBondContact O-N 3.47Å; D90-S94 PolarHBondContact O-OG 3.49Å; D90-R241 IonicContact OD1-CZ 3.83Å; D90-R241 IonicContact OD1-NH2 3.11Å; D90-R241 PolarHBondContact OD1-NH2 3.32Å
91	N	83.1	Confident	84.5	Confident	90 Å²	90	40.9 Å²	40.9	48%	0.481	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-43.9	175.7	62.1	-22.2	0	0	0	112.4	P89 L93 S94 E95	P89-N91 VanDerWaalsContact C-N 3.28Å; P89-N91 VanDerWaalsContact CB-OD1 3.25Å; P89-N91 WeakPolarHBondContact CB-OD1 3.42Å; P89-N91 WeakPolarHBondContact CG-OD1 3.33Å; P89-N91 PolarHBondContact O-N 3.31Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 3.43Å; N91-S94 PolarHBondContact O-N 2.65Å; N91-E95 WeakPolarHBondContact O-CG 3.33Å; N91-E95 PolarHBondContact O-N 3.01Å
92	A	84.7	Confident	84.8	Confident	22 Å²	22	38.6 Å²	38.6	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-33.7	176.2	0	0	0	0	0	111.9	P89 D90 A96	P89-A92 HydrophobicContact CG-CB 3.96Å; P89-A92 PolarHBondContact O-N 3.45Å; D90-A92 PolarHBondContact O-N 2.84Å; A92-A96 VanDerWaalsContact O-CB 3.29Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.04Å
93	L	84.9	Confident	85.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-40.8	172.7	-61.6	179.7	0	0	0	112.1	I81 W85 P89 D90 N91 A96 S97	I81-L93 HydrophobicContact CG2-CD2 4.29Å; W85-L93 HydrophobicContact CB-CD1 3.98Å; W85-L93 HydrophobicContact CB-CD2 3.67Å; P89-L93 PolarHBondContact O-N 2.92Å; P89-L93 VanDerWaalsContact O-N 3.1Å; D90-L93 WeakPolarHBondContact O-CB 3.13Å; D90-L93 PolarHBondContact O-N 3.35Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 3.43Å; L93-A96 PolarHBondContact O-N 3.17Å; L93-S97 WeakPolarHBondContact O-CB 3.01Å; L93-S97 PolarHBondContact O-N 3.27Å
94	S	87.4	Confident	85.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-45.1	176.9	-62	0	0	0	0	111.1	D90 N91 A96 S97 K98 R226 F269	D90-S94 PolarHBondContact O-N 3.47Å; D90-S94 PolarHBondContact O-OG 3.49Å; N91-S94 PolarHBondContact O-N 2.65Å; S94-A96 PolarHBondContact O-N 2.8Å; S94-S97 PolarHBondContact O-N 3.5Å; S94-K98 VanDerWaalsContact O-CB 3.3Å; S94-K98 WeakPolarHBondContact O-CB 3.33Å; S94-K98 PolarHBondContact O-N 3.49Å; S94-R226 VanDerWaalsContact CA-NH1 3.3Å; S94-R226 VanDerWaalsContact N-NH1 3.19Å; S94-R226 PolarHBondContact OG-NH1 2.9Å; S94-F269 WeakPolarHBondContact O-CE2 3.41Å
95	E	89.3	Confident	86	Confident	42 Å²	42	33.9 Å²	33.9	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-41.1	174.8	-72.1	-62	159.4	0	0	112.3	N91 K98 S99 L191	N91-E95 WeakPolarHBondContact O-CG 3.33Å; N91-E95 PolarHBondContact O-N 3.01Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-S99 VanDerWaalsContact O-CB 3.27Å; E95-S99 WeakPolarHBondContact O-CB 3.34Å; E95-S99 PolarHBondContact O-N 3.12Å; E95-L191 VanDerWaalsContact OE1-CB 3.25Å; E95-L191 WeakPolarHBondContact OE1-CB 3.13Å
96	A	87.9	Confident	86.5	Confident	6 Å²	6	33.6 Å²	33.6	5%	0.05	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-44.4	175.6	0	0	0	0	0	112	A78 I81 L82 A92 L93 S94 S99 S100	A78-A96 HydrophobicContact CB-CB 4.49Å; A78-A96 WeakPolarHBondContact CB-O 3.3Å; I81-A96 HydrophobicContact CB-CB 3.97Å; I81-A96 HydrophobicContact CD1-CB 4.38Å; I81-A96 HydrophobicContact CG2-CB 3.69Å; L82-A96 HydrophobicContact CD2-CB 4.06Å; L82-A96 HydrophobicContact CG-CB 4.12Å; A92-A96 VanDerWaalsContact O-CB 3.29Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.04Å; L93-A96 PolarHBondContact O-N 3.17Å; S94-A96 PolarHBondContact O-N 2.8Å; A96-S99 PolarHBondContact O-N 2.94Å; A96-S100 WeakPolarHBondContact O-CB 3.4Å; A96-S100 PolarHBondContact O-N 2.95Å
97	S	90	Very high	87.1	Confident	4 Å²	4	32.3 Å²	32.3	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-47.2	177.7	-169.4	0	0	0	0	111.2	L93 S94 S99 S100 I101	L93-S97 WeakPolarHBondContact O-CB 3.01Å; L93-S97 PolarHBondContact O-N 3.27Å; S94-S97 PolarHBondContact O-N 3.5Å; S97-S99 PolarHBondContact O-N 3.25Å; S97-S100 WeakPolarHBondContact O-CB 3.43Å; S97-S100 PolarHBondContact O-N 3.38Å; S97-I101 WeakPolarHBondContact O-CG1 3.48Å; S97-I101 PolarHBondContact O-N 3.41Å; S97-I101 VanDerWaalsContact O-N 3.08Å
98	K	91.6	Very high	87.6	Confident	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-54.8	-51.6	172.4	178	-174	170.8	-157.8	0	111.6	S52 S94 E95 S100 I101 I102 F177 D188 T189 L191 F269	S52-K98 PolarHBondContact O-NZ 3.15Å; S94-K98 VanDerWaalsContact O-CB 3.3Å; S94-K98 WeakPolarHBondContact O-CB 3.33Å; S94-K98 PolarHBondContact O-N 3.49Å; E95-K98 PolarHBondContact O-N 3.29Å; K98-S100 VanDerWaalsContact C-N 3.33Å; K98-S100 PolarHBondContact O-N 3.16Å; K98-I101 PolarHBondContact O-N 2.95Å; K98-I102 HydrophobicContact CD-CD1 4.27Å; K98-I102 HydrophobicContact CG-CD1 3.62Å; K98-I102 WeakPolarHBondContact O-CD1 3.37Å; K98-I102 WeakPolarHBondContact O-CG1 3.37Å; K98-I102 PolarHBondContact O-N 3.33Å; K98-F177 HydrophobicContact CB-CD1 4.35Å; K98-F177 HydrophobicContact CB-CE1 4.1Å; K98-F177 HydrophobicContact CB-CZ 4.46Å; K98-F177 HydrophobicContact CD-CB 4.38Å; K98-F177 HydrophobicContact CD-CD1 4.26Å; K98-F177 HydrophobicContact CD-CD2 4.42Å; K98-F177 HydrophobicContact CD-CG 4.11Å; K98-F177 HydrophobicContact CG-CD1 4Å; K98-F177 HydrophobicContact CG-CD2 4.19Å; K98-F177 HydrophobicContact CG-CE1 3.95Å; K98-F177 HydrophobicContact CG-CE2 4.16Å; K98-F177 HydrophobicContact CG-CG 4.11Å; K98-F177 HydrophobicContact CG-CZ 4.05Å; K98-D188 WeakPolarHBondContact CE-OD2 3.24Å; K98-D188 IonicContact NZ-OD2 3.77Å; K98-D188 PolarHBondContact NZ-OD2 3.37Å; K98-T189 VanDerWaalsContact CE-O 3.26Å; K98-T189 WeakPolarHBondContact CE-O 3.39Å; K98-T189 PolarHBondContact NZ-O 3.45Å; K98-L191 HydrophobicContact CD-CB 4.24Å; K98-L191 HydrophobicContact CD-CD1 4.28Å; K98-F269 HydrophobicContact CB-CE2 4.35Å
99	S	89.9	Confident	88	Confident	23 Å²	23	29 Å²	29	16%	0.161	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-39.8	-179.9	-179.4	0	0	0	0	112.6	E95 A96 S97 S103	E95-S99 VanDerWaalsContact O-CB 3.27Å; E95-S99 WeakPolarHBondContact O-CB 3.34Å; E95-S99 PolarHBondContact O-N 3.12Å; A96-S99 PolarHBondContact O-N 2.94Å; S97-S99 PolarHBondContact O-N 3.25Å; S99-S103 VanDerWaalsContact O-CB 3.26Å; S99-S103 WeakPolarHBondContact O-CB 3.34Å; S99-S103 PolarHBondContact O-N 2.7Å; S99-S103 PolarHBondContact O-OG 3.27Å
100	S	89.6	Confident	88.1	Confident	19 Å²	19	25.8 Å²	25.8	13%	0.133	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-46.7	175.7	-175.9	0	0	0	0	111.5	A96 S97 K98 K104	A96-S100 WeakPolarHBondContact O-CB 3.4Å; A96-S100 PolarHBondContact O-N 2.95Å; S97-S100 WeakPolarHBondContact O-CB 3.43Å; S97-S100 PolarHBondContact O-N 3.38Å; K98-S100 VanDerWaalsContact C-N 3.33Å; K98-S100 PolarHBondContact O-N 3.16Å; S100-K104 VanDerWaalsContact O-CB 3.3Å; S100-K104 WeakPolarHBondContact O-CB 3.47Å; S100-K104 PolarHBondContact O-N 3.03Å
101	I	91.5	Very high	88.2	Confident	32 Å²	32	30.3 Å²	30.3	16%	0.164	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-50.8	178.7	-69	166.5	0	0	0	111	S97 K98 S103 K104 R105 F177 Y224 F269	S97-I101 WeakPolarHBondContact O-CG1 3.48Å; S97-I101 PolarHBondContact O-N 3.41Å; S97-I101 VanDerWaalsContact O-N 3.08Å; K98-I101 PolarHBondContact O-N 2.95Å; I101-S103 PolarHBondContact O-N 2.99Å; I101-K104 WeakPolarHBondContact O-CB 3.26Å; I101-K104 PolarHBondContact O-N 2.98Å; I101-R105 WeakPolarHBondContact O-CG 3.41Å; I101-R105 PolarHBondContact O-N 2.69Å; I101-F177 HydrophobicContact CD1-CZ 4.36Å; I101-F177 HydrophobicContact CG2-CZ 4.3Å; I101-Y224 HydrophobicContact CD1-CD1 4.3Å; I101-Y224 HydrophobicContact CD1-CE1 4.28Å; I101-Y224 HydrophobicContact CG2-CE1 4.03Å; I101-Y224 HydrophobicContact CG2-CE2 4.17Å; I101-F269 HydrophobicContact CD1-CB 3.64Å; I101-F269 HydrophobicContact CD1-CD2 4.39Å; I101-F269 HydrophobicContact CD1-CG 4.37Å
102	I	90.6	Very high	88	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-46.6	-178.2	-65.4	157.3	0	0	0	110.8	K98 K104 R105 R106 L179 D188	K98-I102 HydrophobicContact CD-CD1 4.27Å; K98-I102 HydrophobicContact CG-CD1 3.62Å; K98-I102 WeakPolarHBondContact O-CD1 3.37Å; K98-I102 WeakPolarHBondContact O-CG1 3.37Å; K98-I102 PolarHBondContact O-N 3.33Å; I102-K104 VanDerWaalsContact C-N 3.29Å; I102-K104 PolarHBondContact O-N 3.19Å; I102-R105 PolarHBondContact O-N 2.99Å; I102-R105 VanDerWaalsContact O-N 3.13Å; I102-R106 HydrophobicContact CG2-CG 4.42Å; I102-R106 WeakPolarHBondContact O-CG 3.24Å; I102-R106 PolarHBondContact O-N 3.4Å; I102-L179 HydrophobicContact CG1-CD1 4.18Å; I102-D188 HydrophobicContact CD1-CB 3.71Å; I102-D188 VanDerWaalsContact CD1-OD2 3.24Å; I102-D188 WeakPolarHBondContact CD1-OD2 3.41Å; I102-D188 HydrophobicContact CG1-CB 4.1Å
103	S	89.9	Confident	87	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-40.4	179.9	-53.5	0	0	0	0	111	R54 E71 S99 I101 R106 L107	R54-S103 PolarHBondContact NH1-OG 3.31Å; R54-S103 VanDerWaalsContact NH1-OG 3.08Å; E71-S103 PolarHBondContact OE2-OG 2.86Å; S99-S103 VanDerWaalsContact O-CB 3.26Å; S99-S103 WeakPolarHBondContact O-CB 3.34Å; S99-S103 PolarHBondContact O-N 2.7Å; S99-S103 PolarHBondContact O-OG 3.27Å; I101-S103 PolarHBondContact O-N 2.99Å; S103-R106 PolarHBondContact O-N 3.32Å; S103-L107 WeakPolarHBondContact O-CB 2.97Å; S103-L107 WeakPolarHBondContact O-CD1 3.06Å; S103-L107 VanDerWaalsContact O-CG 3.22Å; S103-L107 WeakPolarHBondContact O-CG 3.34Å; S103-L107 PolarHBondContact O-N 3.38Å
104	K	91.6	Very high	85.6	Confident	105 Å²	105	35.1 Å²	35.1	46%	0.457	18%	0.181	S	C	.	.	H	α-helix	trans	-59.5	-46.7	173.4	-179.7	-179.6	175.1	-179.4	0	111.4	K75 S100 I101 I102 L107 E108	K75-K104 HydrophobicContact CD-CB 4.34Å; S100-K104 VanDerWaalsContact O-CB 3.3Å; S100-K104 WeakPolarHBondContact O-CB 3.47Å; S100-K104 PolarHBondContact O-N 3.03Å; I101-K104 WeakPolarHBondContact O-CB 3.26Å; I101-K104 PolarHBondContact O-N 2.98Å; I102-K104 VanDerWaalsContact C-N 3.29Å; I102-K104 PolarHBondContact O-N 3.19Å; K104-L107 PolarHBondContact O-N 3.41Å; K104-E108 WeakPolarHBondContact CE-OE1 3.27Å; K104-E108 WeakPolarHBondContact O-CG 3.48Å; K104-E108 PolarHBondContact O-N 3.17Å
105	R	90.8	Very high	83.5	Confident	37 Å²	37	41.4 Å²	41.4	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-43.3	178.9	-71.6	-53.7	-132	176.3	11.1	113.2	I101 I102 L107 E108 C109 L179 E181 V186	I101-R105 WeakPolarHBondContact O-CG 3.41Å; I101-R105 PolarHBondContact O-N 2.69Å; I102-R105 PolarHBondContact O-N 2.99Å; I102-R105 VanDerWaalsContact O-N 3.13Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 3.03Å; R105-E108 VanDerWaalsContact CD-OE2 3.26Å; R105-E108 WeakPolarHBondContact CD-OE2 3.41Å; R105-E108 IonicContact CZ-OE2 3.82Å; R105-E108 IonicContact NE-OE2 3.82Å; R105-E108 IonicContact NH1-OE2 3Å; R105-E108 PolarHBondContact NH1-OE2 3.07Å; R105-E108 WeakPolarHBondContact O-CB 3.36Å; R105-E108 PolarHBondContact O-N 3.45Å; R105-C109 PolarHBondContact O-N 2.86Å; R105-C109 PolarHBondContact O-SG 2.93Å; R105-C109 VanDerWaalsContact O-SG 3.41Å; R105-L179 HydrophobicContact CB-CD1 4.45Å; R105-L179 HydrophobicContact CG-CD1 4.13Å; R105-E181 IonicContact CZ-OE1 2.77Å; R105-E181 VanDerWaalsContact CZ-OE1 3.31Å; R105-E181 IonicContact NE-OE1 3.58Å; R105-E181 PolarHBondContact NE-OE1 3.21Å; R105-E181 IonicContact NH2-OE1 2.72Å; R105-E181 PolarHBondContact NH2-OE1 3.45Å; R105-E181 VanDerWaalsContact NH2-OE1 3.11Å; R105-E181 IonicContact NH2-OE2 3.11Å; R105-V186 HydrophobicContact CB-CG1 4.41Å
106	R	89.5	Confident	80.9	Confident	11 Å²	11	44.4 Å²	44.4	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-40	176.7	-72.6	178	175.3	-157.2	-6.1	112.5	R54 S55 C57 E71 I102 S103 C109 Y110 V186	R54-R106 VanDerWaalsContact CB-NH2 3.34Å; R54-R106 PolarHBondContact O-NH2 2.9Å; S55-R106 PolarHBondContact O-NH2 2.83Å; C57-R106 HydrophobicContact CB-CG 4.49Å; E71-R106 VanDerWaalsContact CD-CD 3.48Å; E71-R106 HydrophobicContact CG-CB 3.96Å; E71-R106 WeakPolarHBondContact OE1-CD 3.26Å; E71-R106 IonicContact OE1-CZ 2.64Å; E71-R106 IonicContact OE1-NE 3.23Å; E71-R106 IonicContact OE1-NH1 2.96Å; E71-R106 PolarHBondContact OE1-NH1 2.96Å; E71-R106 VanDerWaalsContact OE1-NH1 3.11Å; I102-R106 HydrophobicContact CG2-CG 4.42Å; I102-R106 WeakPolarHBondContact O-CG 3.24Å; I102-R106 PolarHBondContact O-N 3.4Å; S103-R106 PolarHBondContact O-N 3.32Å; R106-C109 WeakPolarHBondContact O-CB 3.42Å; R106-C109 PolarHBondContact O-N 3.45Å; R106-Y110 HydrophobicContact CB-CE2 4.29Å; R106-Y110 VanDerWaalsContact O-CD2 3.24Å; R106-Y110 WeakPolarHBondContact O-CD2 3.41Å; R106-Y110 VanDerWaalsContact O-CG 3.28Å; R106-Y110 PolarHBondContact O-N 3.33Å; R106-V186 HydrophobicContact CG-CB 3.88Å; R106-V186 HydrophobicContact CG-CG1 4.29Å; R106-V186 HydrophobicContact CG-CG2 4.34Å; R106-V186 PolarHBondContact NE-O 3.42Å; R106-V186 PolarHBondContact NH2-O 3.34Å
107	L	89.8	Confident	78	Confident	18 Å²	18	47.9 Å²	47.9	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-45.7	173.9	-71.7	165.6	0	0	0	111.6	I68 E71 K75 S103 K104 R105 C109 Y110 E111	I68-L107 HydrophobicContact CB-CD2 4.37Å; I68-L107 HydrophobicContact CG2-CD2 3.93Å; E71-L107 HydrophobicContact CB-CD1 4.38Å; E71-L107 HydrophobicContact CB-CD2 3.84Å; E71-L107 HydrophobicContact CB-CG 3.82Å; K75-L107 HydrophobicContact CD-CD1 3.96Å; S103-L107 WeakPolarHBondContact O-CB 2.97Å; S103-L107 WeakPolarHBondContact O-CD1 3.06Å; S103-L107 VanDerWaalsContact O-CG 3.22Å; S103-L107 WeakPolarHBondContact O-CG 3.34Å; S103-L107 PolarHBondContact O-N 3.38Å; K104-L107 PolarHBondContact O-N 3.41Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 3.03Å; L107-C109 VanDerWaalsContact C-N 3.29Å; L107-C109 PolarHBondContact O-N 3.21Å; L107-Y110 PolarHBondContact O-N 3.5Å; L107-Y110 VanDerWaalsContact O-N 3.16Å; L107-E111 WeakPolarHBondContact O-CG 3.36Å; L107-E111 PolarHBondContact O-N 2.94Å
108	E	89.7	Confident	75.2	Confident	71 Å²	71	54.5 Å²	54.5	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-57.4	-41.3	174.4	-69.2	167.3	-174.2	0	0	111.4	K104 R105 S112	K104-E108 WeakPolarHBondContact CE-OE1 3.27Å; K104-E108 WeakPolarHBondContact O-CG 3.48Å; K104-E108 PolarHBondContact O-N 3.17Å; R105-E108 VanDerWaalsContact CD-OE2 3.26Å; R105-E108 WeakPolarHBondContact CD-OE2 3.41Å; R105-E108 IonicContact CZ-OE2 3.82Å; R105-E108 IonicContact NE-OE2 3.82Å; R105-E108 IonicContact NH1-OE2 3Å; R105-E108 PolarHBondContact NH1-OE2 3.07Å; R105-E108 WeakPolarHBondContact O-CB 3.36Å; R105-E108 PolarHBondContact O-N 3.45Å; E108-S112 PolarHBondContact O-N 3.42Å; E108-S112 PolarHBondContact O-OG 3.45Å
109	C	85.6	Confident	72	Confident	15 Å²	15	60.1 Å²	60.1	10%	0.101	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-44.5	174.5	-70.2	0	0	0	0	112.3	R105 R106 L107 S112 S113 V186	R105-C109 PolarHBondContact O-N 2.86Å; R105-C109 PolarHBondContact O-SG 2.93Å; R105-C109 VanDerWaalsContact O-SG 3.41Å; R106-C109 WeakPolarHBondContact O-CB 3.42Å; R106-C109 PolarHBondContact O-N 3.45Å; L107-C109 VanDerWaalsContact C-N 3.29Å; L107-C109 PolarHBondContact O-N 3.21Å; C109-S112 PolarHBondContact O-N 3.04Å; C109-S112 PolarHBondContact O-OG 2.92Å; C109-S113 WeakPolarHBondContact O-CB 3.16Å; C109-S113 PolarHBondContact O-N 3.25Å; C109-S113 PolarHBondContact O-OG 3.17Å; C109-V186 HydrophobicContact CB-CG2 4.43Å; C109-V186 WeakPolarHBondContact SG-CG2 3.19Å
110	Y	83.3	Confident	69	Low	13 Å²	13	69.8 Å²	69.8	5%	0.051	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-38.7	178.1	-60.2	-38.7	0	0	0	112.8	C57 V64 N67 I68 E71 R106 L107 S113 Q114	C57-Y110 HydrophobicContact CB-CE1 3.92Å; C57-Y110 WeakPolarHBondContact CB-OH 3.27Å; V64-Y110 HydrophobicContact CG1-CD1 4.26Å; V64-Y110 HydrophobicContact CG1-CG 4.31Å; N67-Y110 HydrophobicContact CB-CE1 4.18Å; N67-Y110 HydrophobicContact CB-CE2 3.75Å; N67-Y110 WeakPolarHBondContact CB-OH 3.42Å; I68-Y110 HydrophobicContact CB-CD2 4.43Å; I68-Y110 HydrophobicContact CG1-CD2 3.54Å; I68-Y110 HydrophobicContact CG1-CE2 4.47Å; I68-Y110 HydrophobicContact CG1-CG 3.88Å; E71-Y110 HydrophobicContact CB-CE2 4.43Å; E71-Y110 HydrophobicContact CG-CE2 3.62Å; R106-Y110 HydrophobicContact CB-CE2 4.29Å; R106-Y110 VanDerWaalsContact O-CD2 3.24Å; R106-Y110 WeakPolarHBondContact O-CD2 3.41Å; R106-Y110 VanDerWaalsContact O-CG 3.28Å; R106-Y110 PolarHBondContact O-N 3.33Å; L107-Y110 PolarHBondContact O-N 3.5Å; L107-Y110 VanDerWaalsContact O-N 3.16Å; Y110-S113 PolarHBondContact O-N 2.95Å; Y110-Q114 PolarHBondContact O-N 3.35Å
111	E	81.9	Confident	66.1	Low	127 Å²	127	75.2 Å²	75.2	59%	0.593	41%	0.409	S	S	*	.	H	α-helix	trans	-64.4	-43.6	177.4	-73.2	173.2	-178.5	0	0	111.4	L107 S113 Q114	L107-E111 WeakPolarHBondContact O-CG 3.36Å; L107-E111 PolarHBondContact O-N 2.94Å; E111-S113 PolarHBondContact O-N 3.2Å; E111-Q114 PolarHBondContact O-N 3.09Å
112	S	77.5	Confident	63.1	Low	74 Å²	74	78.6 Å²	78.6	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-67.8	-17.2	175.7	64.6	0	0	0	0	114.4	E108 C109	E108-S112 PolarHBondContact O-N 3.42Å; E108-S112 PolarHBondContact O-OG 3.45Å; C109-S112 PolarHBondContact O-N 3.04Å; C109-S112 PolarHBondContact O-OG 2.92Å
113	S	64.6	Low	60.3	Low	36 Å²	36	86.3 Å²	86.3	25%	0.252	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.6	179.7	-53.9	0	0	0	0	113.6	C109 Y110 E111 Q184	C109-S113 WeakPolarHBondContact O-CB 3.16Å; C109-S113 PolarHBondContact O-N 3.25Å; C109-S113 PolarHBondContact O-OG 3.17Å; Y110-S113 PolarHBondContact O-N 2.95Å; E111-S113 PolarHBondContact O-N 3.2Å; S113-Q184 WeakPolarHBondContact OG-CG 3.42Å; S113-Q184 PolarHBondContact OG-NE2 3.32Å; S113-Q184 VanDerWaalsContact OG-NE2 3.1Å; S113-Q184 PolarHBondContact OG-OE1 3.23Å
114	Q	56.2	Low	57.4	Low	103 Å²	103	93.6 Å²	93.6	48%	0.481	50%	0.504	S	S	.	.	S	Bend	trans	-74.2	135.3	173.6	-67.2	-170.9	16	0	0	109.5	Y110 E111 V116	Y110-Q114 PolarHBondContact O-N 3.35Å; E111-Q114 PolarHBondContact O-N 3.09Å; Q114-V116 PolarHBondContact O-N 2.9Å
115	P	42.1	Very low	54.5	Low	131 Å²	131	96.3 Å²	96.3	85%	0.851	52%	0.524	S	S	*	.			trans	-71.9	81.6	174.9	30.2	-31.7	0	0	0	108.5	G117	P115-G117 PolarHBondContact O-N 3.43Å
116	V	35.5	Very low	51.5	Low	105 Å²	105	101.6 Å²	101.6	64%	0.636	56%	0.555	S	S	*	*			trans	-74.8	101.2	160.2	-177.2	0	0	0	0	104.8	Q114 L118	Q114-V116 PolarHBondContact O-N 2.9Å; V116-L118 HydrophobicContact CG1-CB 4.42Å; V116-L118 PolarHBondContact O-N 2.97Å
117	G	27.4	Very low	48.6	Very low	80 Å²	80	109 Å²	109	83%	0.825	59%	0.594	S	S	*	*			trans	-63.7	84.5	172.6	0	0	0	0	0	109.7	P115	P115-G117 PolarHBondContact O-N 3.43Å
118	L	30	Very low	45.6	Very low	142 Å²	142	114.1 Å²	114.1	74%	0.743	63%	0.628	S	S	*	*	S	Bend	trans	-162	115.8	168.7	-92.2	164.5	0	0	0	107.7	V116 R120	V116-L118 HydrophobicContact CG1-CB 4.42Å; V116-L118 PolarHBondContact O-N 2.97Å; L118-R120 PolarHBondContact O-N 3.09Å
119	T	24.3	Very low	42.6	Very low	119 Å²	119	116.1 Å²	116.1	73%	0.73	65%	0.65	S	S	*	*			trans	-19.8	107.7	167.2	46	0	0	0	0	115.3	N121	T119-N121 PolarHBondContact O-N 2.9Å
120	R	28.1	Very low	39.7	Very low	226 Å²	226	124 Å²	124	85%	0.853	69%	0.688	S	S	*	*			trans	-84.3	93.5	164	-151	173.4	-169.5	152.2	1.3	108	L118 V122	L118-R120 PolarHBondContact O-N 3.09Å; R120-V122 PolarHBondContact O-N 3.36Å
121	N	27.7	Very low	37	Very low	134 Å²	134	131.6 Å²	131.6	72%	0.717	72%	0.724	S	S	*	*			trans	-59.4	123.8	169.4	-71.2	-28.5	0	0	0	109.7	T119	T119-N121 PolarHBondContact O-N 2.9Å
122	V	29	Very low	34.6	Very low	102 Å²	102	131.8 Å²	131.8	62%	0.618	73%	0.728	S	S	*	*			trans	-3.3	120	143.3	-173.7	0	0	0	0	114.9	R120 E124	R120-V122 PolarHBondContact O-N 3.36Å; V122-E124 HydrophobicContact CG1-CB 4.16Å; V122-E124 HydrophobicContact CG1-CG 3.63Å
123	I	32	Very low	32.5	Very low	163 Å²	163	137.3 Å²	137.3	84%	0.836	74%	0.742	S	S	*	*			trans	-124.3	97.7	137.2	-60.5	-179.6	0	0	0	104.6
124	E	29.2	Very low	30.8	Very low	153 Å²	153	145 Å²	145	72%	0.715	77%	0.766	S	S	*	*			trans	-60.5	133.4	162.9	-83.7	155.8	164.2	0	0	108.8	V122	V122-E124 HydrophobicContact CG1-CB 4.16Å; V122-E124 HydrophobicContact CG1-CG 3.63Å
125	D	31.1	Very low	29.5	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	78%	0.778	S	S	*	*			trans	-120.1	119.5	151.3	-96.2	-29	0	0	0	106.6
126	D	26.6	Very low	29.1	Very low	148 Å²	148	143.4 Å²	143.4	79%	0.791	76%	0.755	S	S	*	*			trans	-59.7	127.3	-176.9	-74.5	-50.2	0	0	0	113
127	L	30.2	Very low	29	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	76%	0.755	S	S	*	*			trans	-154.7	142.2	144	-124	89.8	0	0	0	109.2	S129	L127-S129 PolarHBondContact O-N 3.02Å
128	P	26.2	Very low	29.3	Very low	124 Å²	124	145.5 Å²	145.5	81%	0.805	75%	0.749	S	S	*	*			trans	-71.5	122.3	-165.1	28.1	-30.1	0	0	0	111.2	M130	P128-M130 PolarHBondContact O-N 3.08Å; P128-M130 VanDerWaalsContact O-N 3.14Å
129	S	25.8	Very low	29.4	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	73%	0.732	S	S	*	*			trans	-62.3	108.2	173.5	56.8	0	0	0	0	110.8	L127	L127-S129 PolarHBondContact O-N 3.02Å
130	M	24.9	Very low	29.9	Very low	180 Å²	180	138.8 Å²	138.8	89%	0.887	71%	0.713	S	S	*	*			trans	-85.9	135.3	169.7	-159.9	170	157.9	0	0	109.7	P128 I132	P128-M130 PolarHBondContact O-N 3.08Å; P128-M130 VanDerWaalsContact O-N 3.14Å; M130-I132 PolarHBondContact O-N 3.41Å
131	E	27.3	Very low	30.2	Very low	173 Å²	173	131.4 Å²	131.4	81%	0.808	69%	0.694	S	S	*	*	S	Bend	trans	-65.9	88.2	-166.7	-61.9	177.3	125.3	0	0	114.3
132	I	31.1	Very low	30.7	Very low	132 Å²	132	130.9 Å²	130.9	68%	0.677	70%	0.701	S	S	*	*			trans	-126	30	164.3	-46.7	178.7	0	0	0	110.1	M130	M130-I132 PolarHBondContact O-N 3.41Å
133	K	32.3	Very low	31.1	Very low	189 Å²	189	134.5 Å²	134.5	82%	0.822	71%	0.709	S	S	*	*			trans	-90	1.4	-174.2	-118.3	175.6	-176.2	174.7	0	115.3
134	R	29.1	Very low	31.2	Very low	198 Å²	198	129.4 Å²	129.4	75%	0.747	69%	0.687	S	S	*	*	S	Bend	trans	-107.2	-11.4	-167.4	-81.2	-174.3	176.7	136.8	0.2	117.2	I138	R134-I138 WeakPolarHBondContact O-CD1 3.49Å
135	C	29.6	Very low	31.9	Very low	110 Å²	110	128.3 Å²	128.3	74%	0.743	68%	0.681	S	S	*	*	S	Bend	trans	-95.3	-23.5	-179.6	-69.9	0	0	0	0	114.5
136	Y	33.6	Very low	32.7	Very low	91 Å²	91	121.5 Å²	121.5	36%	0.357	65%	0.646	S	S	.	*	S	Bend	trans	-87.4	-20.2	-176.8	-77	-82.1	0	0	0	114.7
137	S	33.5	Very low	33.8	Very low	92 Å²	92	115.4 Å²	115.4	64%	0.643	61%	0.613	S	S	*	*	S	Bend	trans	-86.4	-8.7	-177	66.9	0	0	0	0	114.9
138	I	33.1	Very low	34.7	Very low	136 Å²	136	110.3 Å²	110.3	70%	0.697	58%	0.583	S	S	*	*	S	Bend	trans	-95.9	-17.5	-172	-63.9	175.3	0	0	0	112.6	R134	R134-I138 WeakPolarHBondContact O-CD1 3.49Å
139	C	32	Very low	35.8	Very low	58 Å²	58	104.5 Å²	104.5	39%	0.392	55%	0.546	S	S	.	.	S	Bend	trans	-125.6	4.8	-167.3	-62.5	0	0	0	0	116.6
140	L	36.5	Very low	36.9	Very low	62 Å²	62	101 Å²	101	33%	0.325	52%	0.518	S	S	.	.			trans	-125.5	111	178.9	-74.5	161.9	0	0	0	110.3	S142 C144 A215 L409	L140-S142 PolarHBondContact O-N 3.34Å; L140-C144 HydrophobicContact CD2-CB 4.43Å; L140-A215 HydrophobicContact CD1-CB 4.48Å; L140-L409 HydrophobicContact CD2-CD1 4.28Å
141	P	34.4	Very low	38.5	Very low	72 Å²	72	92.5 Å²	92.5	47%	0.468	48%	0.476	S	S	.	.			trans	-55.3	137.3	165.3	-16.3	28.8	0	0	0	108.2	K143 C144 L409	P141-K143 PolarHBondContact O-N 3.01Å; P141-C144 PolarHBondContact O-N 3.18Å; P141-L409 HydrophobicContact CG-CD1 3.9Å
142	S	37	Very low	40	Very low	123 Å²	123	87 Å²	87	86%	0.86	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	19.2	-177.2	48.9	0	0	0	0	116.3	L140	L140-S142 PolarHBondContact O-N 3.34Å
143	K	37.8	Very low	41.6	Very low	178 Å²	178	80.8 Å²	80.8	77%	0.774	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	19.6	-174.6	-64.5	-172.7	178.1	-179.4	0	113.9	P141 H145	P141-K143 PolarHBondContact O-N 3.01Å; K143-H145 PolarHBondContact O-N 3.26Å
144	C	34.5	Very low	43.4	Very low	56 Å²	56	77.3 Å²	77.3	38%	0.378	40%	0.404	S	S	.	.			trans	-84.3	109.4	171.3	-72.9	0	0	0	0	110.2	L140 P141	L140-C144 HydrophobicContact CD2-CB 4.43Å; P141-C144 PolarHBondContact O-N 3.18Å
145	H	43.9	Very low	45.2	Very low	129 Å²	129	67.9 Å²	67.9	60%	0.597	37%	0.369	S	S	*	.			trans	-129.8	148.3	174.8	-73.4	-34.8	0	0	0	107.3	K143 N212	K143-H145 PolarHBondContact O-N 3.26Å; H145-N212 VanDerWaalsContact CB-OD1 3.27Å; H145-N212 WeakPolarHBondContact CB-OD1 3.27Å
146	P	46.5	Very low	46.6	Very low	20 Å²	20	64.6 Å²	64.6	13%	0.13	35%	0.346	C	S	.	.			cis	-121.4	170	-11.2	15.2	9.9	0	0	0	114	Q211 N212 D317	P146-Q211 HydrophobicContact CB-CB 4.38Å; P146-N212 HydrophobicContact CB-CB 4.27Å; P146-N212 WeakPolarHBondContact CB-OD1 3.29Å; P146-D317 WeakPolarHBondContact CD-OD2 3.29Å; P146-D317 HydrophobicContact CG-CB 4.26Å; P146-D317 WeakPolarHBondContact O-CB 3.07Å; P146-D317 PolarHBondContact O-N 3.21Å
147	F	51.5	Low	47.7	Very low	20 Å²	20	61.6 Å²	61.6	9%	0.088	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	157.7	172.4	-59.6	-110.1	0	0	0	109.8	V213 L314 C315 F316	F147-V213 HydrophobicContact CB-CB 3.74Å; F147-V213 HydrophobicContact CB-CG2 3.83Å; F147-V213 HydrophobicContact CD2-CB 3.77Å; F147-V213 WeakPolarHBondContact CD2-O 3.36Å; F147-V213 WeakPolarHBondContact CE2-O 3.33Å; F147-V213 HydrophobicContact CG-CB 3.88Å; F147-L314 HydrophobicContact CD1-CB 4.43Å; F147-L314 HydrophobicContact CD1-CD2 4.12Å; F147-C315 CarbonylContact C-O 3.54Å; F147-C315 WeakPolarHBondContact CA-O 3.49Å; F147-F316 HydrophobicContact CD1-CD1 4.42Å; F147-F316 HydrophobicContact CD1-CE1 4.15Å; F147-F316 HydrophobicContact CE1-CD1 4.09Å; F147-F316 AromaticContact CE1-CE1 3.46Å; F147-F316 HydrophobicContact CE1-CE1 3.46Å; F147-F316 VanDerWaalsContact CE1-CE1 3.46Å; F147-F316 HydrophobicContact CE1-CZ 4.01Å; F147-F316 HydrophobicContact CZ-CD1 4.44Å; F147-F316 AromaticContact CZ-CE1 3.89Å; F147-F316 HydrophobicContact CZ-CE1 3.89Å
148	F	48.1	Very low	48.6	Very low	60 Å²	60	61.7 Å²	61.7	26%	0.263	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	153.8	159.6	-56.3	-93.8	0	0	0	108.3	R313 L314 C315 D317	F148-R313 CarbonylContact C-O 3.59Å; F148-R313 VanDerWaalsContact C-O 3.3Å; F148-R313 CarbonylContact O-C 3.46Å; F148-L314 WeakPolarHBondContact O-CA 3.42Å; F148-C315 HydrophobicContact CB-CB 3.92Å; F148-C315 HydrophobicContact CD2-CB 3.53Å; F148-C315 WeakPolarHBondContact CD2-O 3.43Å; F148-C315 HydrophobicContact CE2-CB 4.47Å; F148-C315 HydrophobicContact CG-CB 4.08Å; F148-C315 PolarHBondContact N-O 3.33Å; F148-C315 PolarHBondContact O-N 3.47Å; F148-D317 HydrophobicContact CE2-CB 3.86Å; F148-D317 HydrophobicContact CZ-CB 4.39Å
149	C	49.8	Very low	49.4	Very low	2 Å²	2	57.6 Å²	57.6	1%	0.014	32%	0.315	C	S	.	.			trans	-125.2	144	163.3	-68	0	0	0	0	106.6	L208 F210 L312 R313	C149-L208 CarbonylContact C-O 3.59Å; C149-F210 HydrophobicContact CB-CD2 4.2Å; C149-L312 HydrophobicContact CB-CD1 3.68Å; C149-L312 VanDerWaalsContact SG-CD1 3.56Å; C149-R313 VanDerWaalsContact CA-O 3.28Å; C149-R313 WeakPolarHBondContact CA-O 3.22Å
150	L	48.5	Very low	50	Low	41 Å²	41	65.2 Å²	65.2	22%	0.215	34%	0.336	C	S	.	.			trans	-127.8	105.7	173.2	-178.3	136.8	0	0	0	107.5	V152 V207 H311 R313	L150-V152 HydrophobicContact CD2-CG2 4.2Å; L150-V207 HydrophobicContact CB-CG1 4.15Å; L150-V207 HydrophobicContact CD1-CB 4.22Å; L150-V207 HydrophobicContact CD1-CG1 3.49Å; L150-V207 VanDerWaalsContact CD1-CG1 3.49Å; L150-V207 HydrophobicContact CD1-CG2 3.66Å; L150-V207 HydrophobicContact CD2-CG2 4.48Å; L150-V207 HydrophobicContact CG-CB 4.29Å; L150-V207 HydrophobicContact CG-CG1 3.62Å; L150-V207 HydrophobicContact CG-CG2 3.82Å; L150-H311 CarbonylContact C-O 3.57Å; L150-H311 CarbonylContact O-C 3.59Å; L150-H311 VanDerWaalsContact O-C 3.24Å; L150-R313 HydrophobicContact CB-CB 4.15Å; L150-R313 HydrophobicContact CB-CG 4.26Å
151	L	58.5	Low	50.5	Low	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.357	C	S	.	.			trans	-103.9	101.1	-173.6	-70.2	153.3	0	0	0	110.6	I153 F180 L208 F210 M219 F310 H311 L312	L151-I153 HydrophobicContact CB-CD1 4.32Å; L151-I153 HydrophobicContact CB-CG1 4.27Å; L151-F180 HydrophobicContact CD1-CD1 3.8Å; L151-F180 HydrophobicContact CD1-CE1 3.75Å; L151-F180 HydrophobicContact CD1-CG 4.25Å; L151-F180 HydrophobicContact CD1-CZ 4.17Å; L151-F180 HydrophobicContact CD2-CE1 3.83Å; L151-F180 HydrophobicContact CD2-CZ 4.25Å; L151-F180 HydrophobicContact CG-CE1 4.35Å; L151-L208 HydrophobicContact CB-CB 4.46Å; L151-L208 HydrophobicContact CD1-CB 4.04Å; L151-L208 HydrophobicContact CD1-CD1 4.41Å; L151-F210 HydrophobicContact CD1-CE2 3.97Å; L151-M219 HydrophobicContact CD1-SD 4.38Å; L151-F310 HydrophobicContact CD2-CB 4.12Å; L151-F310 HydrophobicContact CD2-CD1 4.47Å; L151-F310 HydrophobicContact CD2-CD2 3.09Å; L151-F310 HydrophobicContact CD2-CE2 3.45Å; L151-F310 VanDerWaalsContact CD2-CE2 3.45Å; L151-F310 HydrophobicContact CD2-CG 3.66Å; L151-F310 HydrophobicContact CD2-CZ 4.32Å; L151-H311 VanDerWaalsContact CA-O 3.29Å; L151-H311 WeakPolarHBondContact CA-O 3.42Å; L151-L312 HydrophobicContact CD2-CD1 3.95Å; L151-L312 HydrophobicContact CG-CD1 4.32Å
152	V	58.9	Low	51	Low	59 Å²	59	65.7 Å²	65.7	36%	0.358	37%	0.368	S	S	.	.			trans	-92.5	110.3	162.6	177	0	0	0	0	107.2	L150 F310	L150-V152 HydrophobicContact CD2-CG2 4.2Å; V152-F310 WeakPolarHBondContact O-CA 3.4Å; V152-F310 VanDerWaalsContact O-CB 3.24Å; V152-F310 WeakPolarHBondContact O-CB 3.49Å
153	I	64.9	Low	51.5	Low	0 Å²	0	66 Å²	66	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.8	-172.7	-56.6	140.6	0	0	0	109.4	L151 I155 F180 T189 F204 V308 T309 F310	L151-I153 HydrophobicContact CB-CD1 4.32Å; L151-I153 HydrophobicContact CB-CG1 4.27Å; I153-I155 HydrophobicContact CG2-CG1 4.19Å; I153-F180 HydrophobicContact CD1-CD2 4.44Å; I153-F180 HydrophobicContact CD1-CE2 3.2Å; I153-F180 HydrophobicContact CD1-CZ 3.27Å; I153-F180 HydrophobicContact CG1-CE2 4.17Å; I153-F180 HydrophobicContact CG1-CZ 3.73Å; I153-T189 HydrophobicContact CD1-CG2 3.58Å; I153-F204 HydrophobicContact CB-CB 4.35Å; I153-F204 HydrophobicContact CB-CD2 3.97Å; I153-F204 HydrophobicContact CG2-CD2 3.97Å; I153-F204 PolarHBondContact O-N 3.4Å; I153-V308 HydrophobicContact CG2-CG1 3.89Å; I153-T309 WeakPolarHBondContact CA-O 3.26Å; I153-F310 HydrophobicContact CB-CB 4.43Å; I153-F310 HydrophobicContact CG1-CB 3.87Å; I153-F310 HydrophobicContact CG1-CG 4.46Å
154	R	69.2	Low	51.9	Low	117 Å²	117	60.1 Å²	60.1	44%	0.442	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.7	175.4	-168	174.5	-178.2	168.3	1.9	109.6	D201 V202 T309	R154-D201 HydrophobicContact CG-CB 4.35Å; R154-D201 IonicContact CZ-OD2 2.82Å; R154-D201 IonicContact NE-OD2 2.84Å; R154-D201 PolarHBondContact NE-OD2 3.08Å; R154-D201 IonicContact NH2-OD2 3.97Å; R154-D201 PolarHBondContact NH2-OD2 3.11Å; R154-V202 WeakPolarHBondContact CA-O 3.36Å; R154-T309 PolarHBondContact N-O 3.31Å; R154-T309 PolarHBondContact O-N 2.86Å; R154-T309 PolarHBondContact O-OG1 2.99Å
155	I	67	Low	52.6	Low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	99.9	179.6	-49.3	171.6	0	0	0	107.3	I153 L157 D201 V202 F204 I223 L292 P303 V308	I153-I155 HydrophobicContact CG2-CG1 4.19Å; I155-L157 PolarHBondContact O-N 2.68Å; I155-D201 CarbonylContact O-C 3.49Å; I155-D201 VanDerWaalsContact O-CA 3.29Å; I155-D201 WeakPolarHBondContact O-CA 3.22Å; I155-D201 WeakPolarHBondContact O-CB 3.49Å; I155-V202 HydrophobicContact CB-CB 4.17Å; I155-V202 PolarHBondContact N-O 3.18Å; I155-V202 PolarHBondContact O-N 3.3Å; I155-F204 HydrophobicContact CD1-CE2 4.03Å; I155-I223 HydrophobicContact CD1-CD1 3.8Å; I155-I223 HydrophobicContact CD1-CG1 4.42Å; I155-I223 HydrophobicContact CD1-CG2 4.47Å; I155-L292 HydrophobicContact CG2-CD1 3.59Å; I155-P303 HydrophobicContact CD1-CG 4.2Å; I155-P303 HydrophobicContact CG2-CB 3.59Å; I155-P303 HydrophobicContact CG2-CG 3.71Å; I155-V308 HydrophobicContact CD1-CG2 4.31Å; I155-V308 HydrophobicContact CG1-CB 4.46Å; I155-V308 HydrophobicContact CG1-CG1 4.12Å; I155-V308 HydrophobicContact CG1-CG2 3.99Å; I155-V308 HydrophobicContact CG2-CG2 4.21Å
156	P	59.8	Low	52.7	Low	40 Å²	40	57.5 Å²	57.5	26%	0.26	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	125.5	176.6	-23.8	36.3	0	0	0	111.4	V158 H307	P156-V158 VanDerWaalsContact C-N 3.28Å; P156-V158 HydrophobicContact CB-CG2 4.18Å; P156-V158 PolarHBondContact O-N 2.87Å; P156-H307 WeakPolarHBondContact CD-O 3.32Å
157	L	57	Low	52.5	Low	28 Å²	28	59.8 Å²	59.8	15%	0.147	35%	0.347	C	S	.	.			trans	-91	71.8	170	-61.9	165.5	0	0	0	106.7	I155 V194 D199 T200 D201 V202 P303	I155-L157 PolarHBondContact O-N 2.68Å; L157-V194 HydrophobicContact CD1-CG1 3.24Å; L157-D199 HydrophobicContact CD1-CB 4.06Å; L157-T200 CarbonylContact C-O 3.48Å; L157-T200 WeakPolarHBondContact CA-O 3.27Å; L157-T200 PolarHBondContact N-O 2.54Å; L157-D201 VanDerWaalsContact CD1-C 3.49Å; L157-V202 HydrophobicContact CD1-CG2 3.83Å; L157-V202 HydrophobicContact CD2-CG2 3.75Å; L157-V202 HydrophobicContact CG-CG2 3.83Å; L157-P303 HydrophobicContact CD2-CB 3.93Å
158	V	51.2	Low	52.3	Low	94 Å²	94	66.3 Å²	66.3	57%	0.57	38%	0.375	S	S	*	.			trans	-72.1	-176.2	164.5	-173.3	0	0	0	0	107.6	P156 F305	P156-V158 VanDerWaalsContact C-N 3.28Å; P156-V158 HydrophobicContact CB-CG2 4.18Å; P156-V158 PolarHBondContact O-N 2.87Å; V158-F305 VanDerWaalsContact CA-CE2 3.41Å; V158-F305 HydrophobicContact CB-CD2 4.16Å; V158-F305 HydrophobicContact CB-CE2 3.52Å; V158-F305 HydrophobicContact CB-CZ 4.38Å; V158-F305 VanDerWaalsContact O-CE1 3.23Å; V158-F305 WeakPolarHBondContact O-CE1 3.47Å; V158-F305 WeakPolarHBondContact O-CE2 3.36Å; V158-F305 WeakPolarHBondContact O-CZ 3.42Å
159	C	49.7	Very low	52.5	Low	51 Å²	51	68 Å²	68	35%	0.345	38%	0.384	S	S	.	.			trans	-134.6	131.9	169	-71.5	0	0	0	0	106.3	G161 Y196	C159-G161 PolarHBondContact O-N 3.3Å; C159-Y196 PolarHBondContact SG-OH 2.84Å
160	R	45.1	Very low	52.8	Low	218 Å²	218	69.8 Å²	69.8	82%	0.823	40%	0.402	S	S	*	.	S	Bend	trans	-72	104	168.8	-141.1	179.3	-177.3	172.7	1.6	107.4
161	G	47.4	Very low	53.5	Low	74 Å²	74	69.8 Å²	69.8	76%	0.763	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	16.8	162.8	0	0	0	0	0	118.5	C159 E163	C159-G161 PolarHBondContact O-N 3.3Å; G161-E163 PolarHBondContact O-N 3.35Å
162	G	43.7	Very low	54	Low	69 Å²	69	70.7 Å²	70.7	71%	0.711	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	0	171.5	0	0	0	0	0	116.1	S164	G162-S164 PolarHBondContact O-N 3.05Å; G162-S164 VanDerWaalsContact O-N 3.12Å
163	E	47.7	Very low	55	Low	130 Å²	130	68.9 Å²	68.9	61%	0.607	39%	0.393	S	S	*	.			trans	-70.8	106.6	168.1	-69.6	-166	179.5	0	0	108.5	G161 F165 K168 Y196	G161-E163 PolarHBondContact O-N 3.35Å; E163-F165 PolarHBondContact O-N 3.03Å; E163-K168 IonicContact OE2-NZ 3.94Å; E163-K168 PolarHBondContact OE2-NZ 3.15Å; E163-Y196 PolarHBondContact O-OH 2.77Å
164	S	47.1	Very low	55.8	Low	55 Å²	55	69.1 Å²	69.1	39%	0.385	39%	0.394	S	S	.	.			trans	-64.2	132.3	175.2	50.9	0	0	0	0	110.5	G162 H166	G162-S164 PolarHBondContact O-N 3.05Å; G162-S164 VanDerWaalsContact O-N 3.12Å; S164-H166 CarbonylContact O-C 3.31Å; S164-H166 VanDerWaalsContact O-C 3.31Å; S164-H166 PolarHBondContact O-N 2.89Å; S164-H166 VanDerWaalsContact O-N 3.09Å; S164-H166 PolarHBondContact OG-O 3.06Å
165	F	50	Low	56.7	Low	43 Å²	43	63.6 Å²	63.6	19%	0.189	37%	0.374	C	S	.	.	S	Bend	trans	-54	-23.1	159.8	-95.6	-82.1	0	0	0	111	E163 G167 K168 F174 Y196 N300	E163-F165 PolarHBondContact O-N 3.03Å; F165-G167 PolarHBondContact O-N 3.06Å; F165-K168 PolarHBondContact O-N 3.02Å; F165-F174 HydrophobicContact CB-CZ 4.14Å; F165-F174 HydrophobicContact CD1-CZ 4.45Å; F165-F174 HydrophobicContact CG-CZ 4.28Å; F165-Y196 HydrophobicContact CB-CD2 4.24Å; F165-Y196 HydrophobicContact CB-CE2 4.1Å; F165-Y196 AromaticContact CD2-CE2 3.94Å; F165-Y196 HydrophobicContact CD2-CE2 3.94Å; F165-N300 WeakPolarHBondContact CE1-O 3.39Å; F165-N300 WeakPolarHBondContact CZ-O 3.45Å
166	H	45.1	Very low	57.9	Low	87 Å²	87	63.7 Å²	63.7	40%	0.403	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	81.7	157.1	-62	-93.1	0	0	0	110.2	S164 D172 Y196	S164-H166 CarbonylContact O-C 3.31Å; S164-H166 VanDerWaalsContact O-C 3.31Å; S164-H166 PolarHBondContact O-N 2.89Å; S164-H166 VanDerWaalsContact O-N 3.09Å; S164-H166 PolarHBondContact OG-O 3.06Å; H166-D172 WeakPolarHBondContact CE1-CB 2.79Å; H166-D172 WeakPolarHBondContact ND1-CB 3.11Å; H166-Y196 AromaticContact CD2-CD1 3.38Å; H166-Y196 WeakPolarHBondContact CD2-CD1 3.19Å; H166-Y196 AromaticContact NE2-CD1 3.8Å; H166-Y196 PolarHBondContact NE2-O 3.41Å
167	G	42	Very low	59.4	Low	68 Å²	68	61.8 Å²	61.8	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	161	-41.6	173.6	0	0	0	0	0	113.6	F165	F165-G167 PolarHBondContact O-N 3.06Å
168	K	48.2	Very low	61	Low	157 Å²	157	60.4 Å²	60.4	68%	0.683	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-30.6	-174.5	-73	-179.3	-175.2	164.6	0	113.9	E163 F165	E163-K168 IonicContact OE2-NZ 3.94Å; E163-K168 PolarHBondContact OE2-NZ 3.15Å; F165-K168 PolarHBondContact O-N 3.02Å
169	Q	52.1	Low	62.9	Low	95 Å²	95	56 Å²	56	44%	0.444	33%	0.328	S	S	.	.	S	Bend	trans	-138.9	-1.2	-171.1	-59.6	-171.1	16.2	0	0	116.6	F171	Q169-F171 VanDerWaalsContact C-N 3.33Å; Q169-F171 HydrophobicContact CB-CD2 3.59Å; Q169-F171 HydrophobicContact CB-CE2 3.64Å; Q169-F171 VanDerWaalsContact O-CE2 3.27Å; Q169-F171 WeakPolarHBondContact O-CE2 3.46Å; Q169-F171 VanDerWaalsContact O-CZ 3.29Å; Q169-F171 WeakPolarHBondContact O-CZ 3.34Å
170	G	55.3	Low	64.8	Low	39 Å²	39	53.5 Å²	53.5	40%	0.402	31%	0.311	S	S	.	.	S	Bend	trans	74.4	21.5	178.4	0	0	0	0	0	114.8
171	F	62.9	Low	66.8	Low	41 Å²	41	44.4 Å²	44.4	18%	0.18	28%	0.278	C	S	.	.			trans	-115.2	125.6	175.2	-48.5	-49.4	0	0	0	109.5	Q169 F174 A227 L228 Y266	Q169-F171 VanDerWaalsContact C-N 3.33Å; Q169-F171 HydrophobicContact CB-CD2 3.59Å; Q169-F171 HydrophobicContact CB-CE2 3.64Å; Q169-F171 VanDerWaalsContact O-CE2 3.27Å; Q169-F171 WeakPolarHBondContact O-CE2 3.46Å; Q169-F171 VanDerWaalsContact O-CZ 3.29Å; Q169-F171 WeakPolarHBondContact O-CZ 3.34Å; F171-F174 HydrophobicContact CB-CE1 4.27Å; F171-F174 HydrophobicContact CB-CZ 4.34Å; F171-A227 HydrophobicContact CB-CB 4.12Å; F171-A227 HydrophobicContact CD2-CB 3.71Å; F171-A227 HydrophobicContact CE2-CB 4.35Å; F171-A227 HydrophobicContact CG-CB 3.83Å; F171-L228 WeakPolarHBondContact CD1-O 3.22Å; F171-Y266 AromaticContact CD1-CE2 3.71Å; F171-Y266 HydrophobicContact CD1-CE2 3.71Å; F171-Y266 AromaticContact CD1-CZ 3.75Å; F171-Y266 WeakPolarHBondContact CD1-OH 3.41Å; F171-Y266 HydrophobicContact CD2-CE2 4.3Å; F171-Y266 HydrophobicContact CE1-CD2 4.12Å; F171-Y266 AromaticContact CE1-CE2 3.04Å; F171-Y266 HydrophobicContact CE1-CE2 3.04Å; F171-Y266 AromaticContact CE1-CZ 3.31Å; F171-Y266 WeakPolarHBondContact CE1-OH 3.33Å; F171-Y266 HydrophobicContact CE2-CD2 4.41Å; F171-Y266 AromaticContact CE2-CE2 3.69Å; F171-Y266 HydrophobicContact CE2-CE2 3.69Å; F171-Y266 HydrophobicContact CG-CE2 4.32Å; F171-Y266 AromaticContact CZ-CD2 3.79Å; F171-Y266 HydrophobicContact CZ-CD2 3.79Å; F171-Y266 AromaticContact CZ-CE2 3.05Å; F171-Y266 HydrophobicContact CZ-CE2 3.05Å; F171-Y266 AromaticContact CZ-CZ 3.85Å
172	D	70.2	Confident	68.5	Low	20 Å²	20	41.1 Å²	41.1	11%	0.107	24%	0.243	C	C	.	.			trans	-114.5	-2.9	173.9	60.6	-0.4	0	0	0	112	H166 V195 Y196 S230	H166-D172 WeakPolarHBondContact CE1-CB 2.79Å; H166-D172 WeakPolarHBondContact ND1-CB 3.11Å; D172-V195 CarbonylContact O-C 3.59Å; D172-V195 WeakPolarHBondContact O-CA 2.83Å; D172-Y196 WeakPolarHBondContact O-CB 3.44Å; D172-Y196 PolarHBondContact O-N 3.49Å; D172-S230 WeakPolarHBondContact OD1-CA 3.48Å; D172-S230 WeakPolarHBondContact OD1-CB 3.44Å; D172-S230 PolarHBondContact OD1-OG 3.45Å; D172-S230 WeakPolarHBondContact OD2-CB 3.48Å; D172-S230 PolarHBondContact OD2-OG 2.96Å
173	M	79.2	Confident	70.2	Confident	21 Å²	21	42.6 Å²	42.6	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142	-175.5	-71.5	-178.2	65.1	0	0	109.5	T193 V194 V195 L228 R231	M173-T193 HydrophobicContact CE-CG2 3.42Å; M173-T193 VanDerWaalsContact CE-CG2 3.42Å; M173-V194 CarbonylContact C-O 3.24Å; M173-V194 VanDerWaalsContact CA-O 3.26Å; M173-V194 WeakPolarHBondContact CA-O 3.34Å; M173-V195 HydrophobicContact CE-CG2 4.19Å; M173-V195 HydrophobicContact CG-CB 4.35Å; M173-V195 HydrophobicContact CG-CG1 4.06Å; M173-V195 HydrophobicContact CG-CG2 3.99Å; M173-V195 HydrophobicContact SD-CG2 4.37Å; M173-L228 HydrophobicContact CB-CB 3.91Å; M173-L228 HydrophobicContact CB-CD1 4.44Å; M173-L228 PolarHBondContact O-N 3.43Å; M173-R231 HydrophobicContact SD-CG 3.92Å
174	F	82.7	Confident	71.6	Confident	4 Å²	4	40 Å²	40	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.7	178.5	-50.2	-90.9	0	0	0	109.3	F165 F171 T193 V194 Y196 R226 A227 L301 P302	F165-F174 HydrophobicContact CB-CZ 4.14Å; F165-F174 HydrophobicContact CD1-CZ 4.45Å; F165-F174 HydrophobicContact CG-CZ 4.28Å; F171-F174 HydrophobicContact CB-CE1 4.27Å; F171-F174 HydrophobicContact CB-CZ 4.34Å; F174-T193 CarbonylContact O-C 3.51Å; F174-T193 WeakPolarHBondContact O-CA 3.09Å; F174-V194 PolarHBondContact N-O 3.36Å; F174-V194 PolarHBondContact O-N 3.3Å; F174-Y196 HydrophobicContact CE2-CD2 4.24Å; F174-R226 CarbonylContact C-O 3.48Å; F174-R226 WeakPolarHBondContact CA-O 3.33Å; F174-A227 HydrophobicContact CD1-CB 3.99Å; F174-A227 HydrophobicContact CE1-CB 4.05Å; F174-L301 HydrophobicContact CD1-CD2 4.09Å; F174-L301 HydrophobicContact CE1-CD2 4.13Å; F174-P302 HydrophobicContact CB-CG 4.33Å; F174-P302 HydrophobicContact CD1-CG 3.75Å; F174-P302 HydrophobicContact CD2-CG 3.55Å; F174-P302 HydrophobicContact CE1-CG 3.91Å; F174-P302 HydrophobicContact CE2-CG 3.71Å; F174-P302 HydrophobicContact CG-CG 3.59Å; F174-P302 HydrophobicContact CZ-CG 3.89Å
175	S	88.4	Confident	73.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.9	167.1	-69.9	0	0	0	0	109.1	K192 S225 R226 L228 F269	S175-K192 CarbonylContact C-O 3.56Å; S175-K192 WeakPolarHBondContact CA-O 3.49Å; S175-S225 CarbonylContact O-C 3.57Å; S175-S225 VanDerWaalsContact O-CA 3.25Å; S175-S225 WeakPolarHBondContact O-CA 3.28Å; S175-R226 PolarHBondContact N-O 2.86Å; S175-R226 PolarHBondContact O-N 2.68Å; S175-L228 WeakPolarHBondContact OG-CD1 3.48Å; S175-F269 WeakPolarHBondContact O-CE1 3.23Å
176	V	90.3	Very high	74.9	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.5	-179.3	-172.1	0	0	0	0	109.6	K192 V194 V202 F204 I223 Y224	V176-K192 PolarHBondContact N-O 3.1Å; V176-K192 PolarHBondContact O-N 3.26Å; V176-V194 HydrophobicContact CG2-CG2 4.16Å; V176-V202 HydrophobicContact CB-CG1 4.21Å; V176-V202 HydrophobicContact CG1-CG1 4.28Å; V176-V202 HydrophobicContact CG2-CG2 4.49Å; V176-F204 HydrophobicContact CG1-CZ 4.13Å; V176-I223 HydrophobicContact CG1-CG2 4.01Å; V176-Y224 VanDerWaalsContact CA-O 3.32Å; V176-Y224 WeakPolarHBondContact CA-O 3.31Å; V176-Y224 WeakPolarHBondContact CG1-O 3.43Å
177	F	92.2	Very high	76.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.9	163.8	72.7	-83.7	0	0	0	110.4	K98 I101 L179 L191 Y224 F269	K98-F177 HydrophobicContact CB-CD1 4.35Å; K98-F177 HydrophobicContact CB-CE1 4.1Å; K98-F177 HydrophobicContact CB-CZ 4.46Å; K98-F177 HydrophobicContact CD-CB 4.38Å; K98-F177 HydrophobicContact CD-CD1 4.26Å; K98-F177 HydrophobicContact CD-CD2 4.42Å; K98-F177 HydrophobicContact CD-CG 4.11Å; K98-F177 HydrophobicContact CG-CD1 4Å; K98-F177 HydrophobicContact CG-CD2 4.19Å; K98-F177 HydrophobicContact CG-CE1 3.95Å; K98-F177 HydrophobicContact CG-CE2 4.16Å; K98-F177 HydrophobicContact CG-CG 4.11Å; K98-F177 HydrophobicContact CG-CZ 4.05Å; I101-F177 HydrophobicContact CD1-CZ 4.36Å; I101-F177 HydrophobicContact CG2-CZ 4.3Å; F177-L179 HydrophobicContact CE2-CB 4.35Å; F177-L191 HydrophobicContact CB-CD1 4.2Å; F177-L191 HydrophobicContact CD1-CD1 3.92Å; F177-L191 HydrophobicContact CG-CD1 4.48Å; F177-Y224 HydrophobicContact CD2-CD2 4.31Å; F177-Y224 HydrophobicContact CE1-CD2 4.16Å; F177-Y224 AromaticContact CE1-CG 3.83Å; F177-Y224 HydrophobicContact CE1-CG 3.83Å; F177-Y224 AromaticContact CE2-CD2 3.53Å; F177-Y224 HydrophobicContact CE2-CD2 3.53Å; F177-Y224 HydrophobicContact CE2-CE2 4.15Å; F177-Y224 HydrophobicContact CE2-CG 4.07Å; F177-Y224 HydrophobicContact CZ-CD1 4.26Å; F177-Y224 AromaticContact CZ-CD2 3.43Å; F177-Y224 HydrophobicContact CZ-CD2 3.43Å; F177-Y224 VanDerWaalsContact CZ-CD2 3.43Å; F177-Y224 HydrophobicContact CZ-CE2 4.13Å; F177-Y224 AromaticContact CZ-CG 3.5Å; F177-Y224 HydrophobicContact CZ-CG 3.5Å; F177-Y224 PolarHBondContact N-O 2.93Å; F177-Y224 VanDerWaalsContact N-O 3.1Å; F177-Y224 PolarHBondContact O-N 2.73Å; F177-F269 AromaticContact CD1-CD1 3.84Å; F177-F269 HydrophobicContact CD1-CD1 3.84Å; F177-F269 AromaticContact CD1-CE1 3.72Å; F177-F269 HydrophobicContact CD1-CE1 3.72Å; F177-F269 HydrophobicContact CD1-CG 4.36Å; F177-F269 HydrophobicContact CD1-CZ 4.17Å; F177-F269 HydrophobicContact CE1-CB 4.25Å; F177-F269 AromaticContact CE1-CD1 3.6Å; F177-F269 HydrophobicContact CE1-CD1 3.6Å; F177-F269 HydrophobicContact CE1-CD2 4.03Å; F177-F269 AromaticContact CE1-CE1 3.9Å; F177-F269 HydrophobicContact CE1-CE1 3.9Å; F177-F269 HydrophobicContact CE1-CE2 4.32Å; F177-F269 AromaticContact CE1-CG 3.69Å; F177-F269 HydrophobicContact CE1-CG 3.69Å; F177-F269 HydrophobicContact CE1-CZ 4.28Å
178	A	90.9	Very high	79	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.1	176	0	0	0	0	0	110.3	F180 D188 T189 F204 L221 I222	A178-F180 HydrophobicContact CB-CE2 4.07Å; A178-D188 CarbonylContact O-C 3.21Å; A178-D188 VanDerWaalsContact O-CA 3.27Å; A178-D188 WeakPolarHBondContact O-CA 3.36Å; A178-T189 HydrophobicContact CB-CG2 3.87Å; A178-T189 PolarHBondContact N-OG1 3.35Å; A178-T189 PolarHBondContact O-N 3.15Å; A178-T189 PolarHBondContact O-OG1 3.46Å; A178-F204 HydrophobicContact CB-CE2 4.32Å; A178-L221 HydrophobicContact CB-CD1 3.78Å; A178-I222 CarbonylContact C-O 3.54Å; A178-I222 WeakPolarHBondContact CA-O 3.45Å
179	L	91.1	Very high	80.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.7	178	-178.1	158.1	0	0	0	108.9	I102 R105 F177 E181 V186 C187 L221 I222 Y224	I102-L179 HydrophobicContact CG1-CD1 4.18Å; R105-L179 HydrophobicContact CB-CD1 4.45Å; R105-L179 HydrophobicContact CG-CD1 4.13Å; F177-L179 HydrophobicContact CE2-CB 4.35Å; L179-E181 HydrophobicContact CD2-CG 3.28Å; L179-V186 HydrophobicContact CD1-CG1 4.03Å; L179-V186 HydrophobicContact CD2-CG1 3.83Å; L179-V186 HydrophobicContact CG-CG1 3.89Å; L179-C187 CarbonylContact C-O 3.49Å; L179-C187 WeakPolarHBondContact CA-O 3.36Å; L179-L221 CarbonylContact O-C 3.5Å; L179-I222 HydrophobicContact CB-CB 4.5Å; L179-I222 HydrophobicContact CD2-CD1 4.24Å; L179-I222 PolarHBondContact N-O 3.17Å; L179-I222 PolarHBondContact O-N 3.2Å; L179-Y224 HydrophobicContact CB-CE2 4.24Å; L179-Y224 HydrophobicContact CD1-CE2 4.41Å
180	F	88.7	Confident	82.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.5	178.7	-70.5	-99.9	0	0	0	109.4	L151 I153 A178 V186 C187 T189 L208 F210 M219 R220 L221 F277	L151-F180 HydrophobicContact CD1-CD1 3.8Å; L151-F180 HydrophobicContact CD1-CE1 3.75Å; L151-F180 HydrophobicContact CD1-CG 4.25Å; L151-F180 HydrophobicContact CD1-CZ 4.17Å; L151-F180 HydrophobicContact CD2-CE1 3.83Å; L151-F180 HydrophobicContact CD2-CZ 4.25Å; L151-F180 HydrophobicContact CG-CE1 4.35Å; I153-F180 HydrophobicContact CD1-CD2 4.44Å; I153-F180 HydrophobicContact CD1-CE2 3.2Å; I153-F180 HydrophobicContact CD1-CZ 3.27Å; I153-F180 HydrophobicContact CG1-CE2 4.17Å; I153-F180 HydrophobicContact CG1-CZ 3.73Å; A178-F180 HydrophobicContact CB-CE2 4.07Å; F180-V186 WeakPolarHBondContact O-CA 3.28Å; F180-C187 PolarHBondContact N-O 2.89Å; F180-C187 PolarHBondContact O-N 2.96Å; F180-T189 HydrophobicContact CE2-CG2 4.41Å; F180-L208 HydrophobicContact CD2-CD1 3.3Å; F180-L208 HydrophobicContact CE2-CD1 3.63Å; F180-L208 HydrophobicContact CG-CD1 4.07Å; F180-F210 HydrophobicContact CB-CE2 4.13Å; F180-F210 HydrophobicContact CB-CZ 3.59Å; F180-M219 HydrophobicContact CD1-CG 4.29Å; F180-M219 HydrophobicContact CD1-SD 3.66Å; F180-M219 HydrophobicContact CE1-SD 4.41Å; F180-R220 CarbonylContact C-O 3.45Å; F180-R220 WeakPolarHBondContact CA-O 3.38Å; F180-L221 HydrophobicContact CD1-CB 4.3Å; F180-L221 HydrophobicContact CD1-CD1 4.39Å; F180-L221 HydrophobicContact CD2-CD1 4.16Å; F180-L221 HydrophobicContact CE1-CB 4.09Å; F180-L221 HydrophobicContact CE1-CD1 3.95Å; F180-L221 HydrophobicContact CE1-CD2 4.39Å; F180-L221 HydrophobicContact CE1-CG 4.35Å; F180-L221 HydrophobicContact CE2-CD1 3.64Å; F180-L221 HydrophobicContact CZ-CD1 3.55Å; F180-L221 HydrophobicContact CZ-CD2 4.27Å; F180-L221 HydrophobicContact CZ-CG 4.31Å; F180-F277 HydrophobicContact CD1-CZ 4.43Å; F180-F277 HydrophobicContact CE1-CE1 4.39Å; F180-F277 HydrophobicContact CE1-CZ 4.28Å
181	E	88.2	Confident	84.1	Confident	27 Å²	27	17.9 Å²	17.9	13%	0.126	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.5	173.4	-47.8	175.7	166.6	0	0	107.9	R105 L179 D185 V186 R220 I222	R105-E181 IonicContact CZ-OE1 2.77Å; R105-E181 VanDerWaalsContact CZ-OE1 3.31Å; R105-E181 IonicContact NE-OE1 3.58Å; R105-E181 PolarHBondContact NE-OE1 3.21Å; R105-E181 IonicContact NH2-OE1 2.72Å; R105-E181 PolarHBondContact NH2-OE1 3.45Å; R105-E181 VanDerWaalsContact NH2-OE1 3.11Å; R105-E181 IonicContact NH2-OE2 3.11Å; L179-E181 HydrophobicContact CD2-CG 3.28Å; E181-D185 CarbonylContact C-O 3.39Å; E181-D185 WeakPolarHBondContact CA-O 3.2Å; E181-V186 HydrophobicContact CG-CG2 4.47Å; E181-R220 HydrophobicContact CB-CB 4.16Å; E181-R220 PolarHBondContact N-O 2.89Å; E181-R220 PolarHBondContact O-N 3.47Å; E181-R220 WeakPolarHBondContact OE2-CD 3.3Å; E181-R220 IonicContact OE2-CZ 3.48Å; E181-R220 IonicContact OE2-NE 2.61Å; E181-R220 IonicContact OE2-NH1 3.64Å; E181-R220 PolarHBondContact OE2-NH1 3.41Å; E181-I222 HydrophobicContact CG-CD1 4.49Å; E181-I222 WeakPolarHBondContact OE1-CD1 3.46Å
182	L	83	Confident	85.3	Confident	5 Å²	5	18.3 Å²	18.3	3%	0.026	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	106.6	172.6	174.6	69.3	0	0	0	108.4	Q184 D185 F210 V213 F217 M219	L182-Q184 PolarHBondContact O-N 3.23Å; L182-D185 PolarHBondContact N-O 3.34Å; L182-D185 WeakPolarHBondContact O-CA 3.29Å; L182-D185 WeakPolarHBondContact O-CB 3.33Å; L182-D185 PolarHBondContact O-N 3.4Å; L182-F210 HydrophobicContact CB-CD1 3.87Å; L182-F210 HydrophobicContact CB-CE1 3.87Å; L182-F210 HydrophobicContact CD2-CB 3.81Å; L182-F210 HydrophobicContact CD2-CD1 3.8Å; L182-F210 HydrophobicContact CD2-CG 3.84Å; L182-F210 HydrophobicContact CG-CD1 4.46Å; L182-V213 HydrophobicContact CD1-CG1 4.39Å; L182-V213 HydrophobicContact CD2-CB 4.13Å; L182-V213 HydrophobicContact CD2-CG1 3.83Å; L182-V213 HydrophobicContact CD2-CG2 3.59Å; L182-F217 HydrophobicContact CD1-CB 3.84Å; L182-F217 HydrophobicContact CD1-CD2 4.37Å; L182-M219 HydrophobicContact CB-CE 4.1Å; L182-M219 HydrophobicContact CB-CG 4.48Å; L182-M219 HydrophobicContact CD1-CB 4.36Å; L182-M219 HydrophobicContact CD1-CE 4.27Å; L182-M219 HydrophobicContact CD2-CE 3.99Å; L182-M219 HydrophobicContact CG-CE 4.33Å
183	N	78.5	Confident	86.1	Confident	100 Å²	100	20.7 Å²	20.7	54%	0.535	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-108.9	-172.8	-61.4	-43.2	0	0	0	111.9
184	Q	76.7	Confident	86.2	Confident	74 Å²	74	20 Å²	20	35%	0.346	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	2.7	179.7	-59.3	172.4	-11.2	0	0	112.1	C57 S113 L182	C57-Q184 PolarHBondContact SG-O 3.41Å; S113-Q184 WeakPolarHBondContact OG-CG 3.42Å; S113-Q184 PolarHBondContact OG-NE2 3.32Å; S113-Q184 VanDerWaalsContact OG-NE2 3.1Å; S113-Q184 PolarHBondContact OG-OE1 3.23Å; L182-Q184 PolarHBondContact O-N 3.23Å
185	D	79.5	Confident	85.9	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.6	-175.8	-157.1	3.2	0	0	0	111.9	S56 C57 E181 L182 F210	S56-D185 WeakPolarHBondContact CA-OD1 3.3Å; S56-D185 WeakPolarHBondContact CB-OD1 3.46Å; S56-D185 WeakPolarHBondContact CB-OD2 3.11Å; S56-D185 PolarHBondContact OG-OD1 2.86Å; S56-D185 PolarHBondContact OG-OD2 3.45Å; C57-D185 PolarHBondContact N-OD1 2.82Å; C57-D185 VanDerWaalsContact SG-CA 3.55Å; C57-D185 PolarHBondContact SG-OD1 2.87Å; E181-D185 CarbonylContact C-O 3.39Å; E181-D185 WeakPolarHBondContact CA-O 3.2Å; L182-D185 PolarHBondContact N-O 3.34Å; L182-D185 WeakPolarHBondContact O-CA 3.29Å; L182-D185 WeakPolarHBondContact O-CB 3.33Å; L182-D185 PolarHBondContact O-N 3.4Å; D185-F210 HydrophobicContact CB-CD1 4.1Å; D185-F210 HydrophobicContact CB-CE1 4.26Å; D185-F210 WeakPolarHBondContact OD2-CD1 3.47Å
186	V	86.6	Confident	84.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	114.4	-176.8	-176	0	0	0	0	110.1	C57 R105 R106 C109 L179 F180 E181	C57-V186 PolarHBondContact SG-N 3.46Å; C57-V186 VanDerWaalsContact SG-N 3.4Å; R105-V186 HydrophobicContact CB-CG1 4.41Å; R106-V186 HydrophobicContact CG-CB 3.88Å; R106-V186 HydrophobicContact CG-CG1 4.29Å; R106-V186 HydrophobicContact CG-CG2 4.34Å; R106-V186 PolarHBondContact NE-O 3.42Å; R106-V186 PolarHBondContact NH2-O 3.34Å; C109-V186 HydrophobicContact CB-CG2 4.43Å; C109-V186 WeakPolarHBondContact SG-CG2 3.19Å; L179-V186 HydrophobicContact CD1-CG1 4.03Å; L179-V186 HydrophobicContact CD2-CG1 3.83Å; L179-V186 HydrophobicContact CG-CG1 3.89Å; F180-V186 WeakPolarHBondContact O-CA 3.28Å; E181-V186 HydrophobicContact CG-CG2 4.47Å
187	C	85.2	Confident	83.7	Confident	1 Å²	1	26 Å²	26	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.9	173.7	-63.6	0	0	0	0	110.7	S56 L179 F180 L208 F210	S56-C187 VanDerWaalsContact CA-SG 3.59Å; S56-C187 PolarHBondContact N-SG 2.85Å; L179-C187 CarbonylContact C-O 3.49Å; L179-C187 WeakPolarHBondContact CA-O 3.36Å; F180-C187 PolarHBondContact N-O 2.89Å; F180-C187 PolarHBondContact O-N 2.96Å; C187-L208 HydrophobicContact CB-CB 4.48Å; C187-L208 HydrophobicContact CB-CD1 4.28Å; C187-L208 HydrophobicContact CB-CD2 4.37Å; C187-F210 HydrophobicContact CB-CE1 4.16Å; C187-F210 HydrophobicContact CB-CE2 4.48Å; C187-F210 HydrophobicContact CB-CZ 3.74Å
188	D	88.4	Confident	82.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.9	177.6	65.8	-77.3	0	0	0	112.2	V53 R54 K98 I102 A178 L208	V53-D188 WeakPolarHBondContact CG1-O 3.47Å; R54-D188 WeakPolarHBondContact CA-OD1 3.36Å; R54-D188 WeakPolarHBondContact CB-OD1 3.22Å; R54-D188 PolarHBondContact N-OD1 3.13Å; R54-D188 VanDerWaalsContact N-OD1 3.12Å; K98-D188 WeakPolarHBondContact CE-OD2 3.24Å; K98-D188 IonicContact NZ-OD2 3.77Å; K98-D188 PolarHBondContact NZ-OD2 3.37Å; I102-D188 HydrophobicContact CD1-CB 3.71Å; I102-D188 VanDerWaalsContact CD1-OD2 3.24Å; I102-D188 WeakPolarHBondContact CD1-OD2 3.41Å; I102-D188 HydrophobicContact CG1-CB 4.1Å; A178-D188 CarbonylContact O-C 3.21Å; A178-D188 VanDerWaalsContact O-CA 3.27Å; A178-D188 WeakPolarHBondContact O-CA 3.36Å; D188-L208 WeakPolarHBondContact O-CD2 3.38Å
189	T	87.6	Confident	81.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-86.8	167.2	174.7	65.1	0	0	0	0	111.7	K98 I153 A178 F180 F204 E206 L208	K98-T189 VanDerWaalsContact CE-O 3.26Å; K98-T189 WeakPolarHBondContact CE-O 3.39Å; K98-T189 PolarHBondContact NZ-O 3.45Å; I153-T189 HydrophobicContact CD1-CG2 3.58Å; A178-T189 HydrophobicContact CB-CG2 3.87Å; A178-T189 PolarHBondContact N-OG1 3.35Å; A178-T189 PolarHBondContact O-N 3.15Å; A178-T189 PolarHBondContact O-OG1 3.46Å; F180-T189 HydrophobicContact CE2-CG2 4.41Å; T189-F204 VanDerWaalsContact CB-CD1 3.42Å; T189-F204 HydrophobicContact CG2-CB 3.96Å; T189-F204 HydrophobicContact CG2-CD1 4.09Å; T189-F204 HydrophobicContact CG2-CD2 4.28Å; T189-F204 HydrophobicContact CG2-CG 3.84Å; T189-F204 WeakPolarHBondContact OG1-CD1 3.4Å; T189-F204 WeakPolarHBondContact OG1-CE1 3.47Å; T189-E206 WeakPolarHBondContact CB-OE2 2.89Å; T189-L208 HydrophobicContact CG2-CD1 4.07Å
190	Q	86.8	Confident	81	Confident	55 Å²	55	40.1 Å²	40.1	26%	0.257	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-61.4	155.3	171.4	-66.1	-177.1	12.6	0	0	111.6	P51 V53 K192 F204 E206	P51-Q190 HydrophobicContact CB-CB 3.74Å; P51-Q190 HydrophobicContact CB-CG 3.41Å; P51-Q190 VanDerWaalsContact CB-CG 3.41Å; P51-Q190 VanDerWaalsContact CB-OE1 3.3Å; P51-Q190 HydrophobicContact CG-CG 4.36Å; P51-Q190 VanDerWaalsContact CG-OE1 3.32Å; V53-Q190 HydrophobicContact CG2-CB 4.46Å; V53-Q190 HydrophobicContact CG2-CG 3.25Å; Q190-K192 PolarHBondContact O-N 3.39Å; Q190-F204 WeakPolarHBondContact O-CE1 3.34Å; Q190-E206 VanDerWaalsContact CB-OE1 3.25Å; Q190-E206 WeakPolarHBondContact CB-OE1 3.38Å; Q190-E206 VanDerWaalsContact CG-CD 3.41Å; Q190-E206 HydrophobicContact CG-CG 3.78Å; Q190-E206 WeakPolarHBondContact CG-OE1 3.48Å; Q190-E206 PolarHBondContact N-OE2 3.02Å; Q190-E206 PolarHBondContact OE1-OE1 2.91Å
191	L	89.3	Confident	80.4	Confident	20 Å²	20	41.5 Å²	41.5	11%	0.105	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-72.1	119.9	169	-166.3	78.1	0	0	0	109.6	E95 K98 F177 F269	E95-L191 VanDerWaalsContact OE1-CB 3.25Å; E95-L191 WeakPolarHBondContact OE1-CB 3.13Å; K98-L191 HydrophobicContact CD-CB 4.24Å; K98-L191 HydrophobicContact CD-CD1 4.28Å; F177-L191 HydrophobicContact CB-CD1 4.2Å; F177-L191 HydrophobicContact CD1-CD1 3.92Å; F177-L191 HydrophobicContact CG-CD1 4.48Å; L191-F269 HydrophobicContact CD1-CE1 3.7Å; L191-F269 HydrophobicContact CD1-CE2 4.26Å; L191-F269 HydrophobicContact CD1-CZ 3.28Å; L191-F269 HydrophobicContact CD2-CZ 4.43Å; L191-F269 HydrophobicContact CG-CZ 4.44Å
192	K	88.2	Confident	80.1	Confident	51 Å²	51	40.3 Å²	40.3	22%	0.222	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.1	172.7	-67.1	-74.4	-177.4	157	0	108.9	S175 V176 Q190 V202 Q203 F204 D205	S175-K192 CarbonylContact C-O 3.56Å; S175-K192 WeakPolarHBondContact CA-O 3.49Å; V176-K192 PolarHBondContact N-O 3.1Å; V176-K192 PolarHBondContact O-N 3.26Å; Q190-K192 PolarHBondContact O-N 3.39Å; K192-V202 HydrophobicContact CB-CG1 4.14Å; K192-Q203 WeakPolarHBondContact CE-O 3.09Å; K192-Q203 PolarHBondContact NZ-O 2.67Å; K192-F204 HydrophobicContact CB-CE1 3.99Å; K192-F204 HydrophobicContact CG-CD1 3.63Å; K192-F204 HydrophobicContact CG-CE1 3.52Å; K192-F204 HydrophobicContact CG-CZ 4.47Å; K192-D205 IonicContact NZ-OD2 3.77Å; K192-D205 PolarHBondContact NZ-OD2 2.83Å
193	T	85.7	Confident	80.1	Confident	70 Å²	70	43.6 Å²	43.6	43%	0.429	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.8	169.8	-61.4	0	0	0	0	108.2	M173 F174 L228	M173-T193 HydrophobicContact CE-CG2 3.42Å; M173-T193 VanDerWaalsContact CE-CG2 3.42Å; F174-T193 CarbonylContact O-C 3.51Å; F174-T193 WeakPolarHBondContact O-CA 3.09Å; T193-L228 HydrophobicContact CG2-CD1 3.8Å
194	V	81.2	Confident	80.3	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.6	-174.9	176.7	0	0	0	0	108	L157 M173 F174 V176 D199 V202	L157-V194 HydrophobicContact CD1-CG1 3.24Å; M173-V194 CarbonylContact C-O 3.24Å; M173-V194 VanDerWaalsContact CA-O 3.26Å; M173-V194 WeakPolarHBondContact CA-O 3.34Å; F174-V194 PolarHBondContact N-O 3.36Å; F174-V194 PolarHBondContact O-N 3.3Å; V176-V194 HydrophobicContact CG2-CG2 4.16Å; V194-D199 WeakPolarHBondContact CA-OD2 3.46Å; V194-D199 HydrophobicContact CG1-CB 4.01Å; V194-V202 HydrophobicContact CG2-CB 4.45Å; V194-V202 HydrophobicContact CG2-CG1 4.19Å; V194-V202 HydrophobicContact CG2-CG2 3.69Å
195	V	76.5	Confident	80.2	Confident	22 Å²	22	39.7 Å²	39.7	13%	0.133	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117	174	-168.4	0	0	0	0	108.9	D172 M173 G197 L198 D199	D172-V195 CarbonylContact O-C 3.59Å; D172-V195 WeakPolarHBondContact O-CA 2.83Å; M173-V195 HydrophobicContact CE-CG2 4.19Å; M173-V195 HydrophobicContact CG-CB 4.35Å; M173-V195 HydrophobicContact CG-CG1 4.06Å; M173-V195 HydrophobicContact CG-CG2 3.99Å; M173-V195 HydrophobicContact SD-CG2 4.37Å; V195-G197 PolarHBondContact O-N 3.41Å; V195-L198 HydrophobicContact CB-CB 4.18Å; V195-L198 HydrophobicContact CB-CD1 4.04Å; V195-L198 HydrophobicContact CB-CG 4.38Å; V195-L198 HydrophobicContact CG1-CB 4.46Å; V195-L198 HydrophobicContact CG1-CD1 3.78Å; V195-L198 HydrophobicContact CG1-CG 4.14Å; V195-L198 PolarHBondContact O-N 3.45Å; V195-L198 VanDerWaalsContact O-N 3.1Å; V195-D199 PolarHBondContact N-OD2 3.08Å; V195-D199 PolarHBondContact O-N 2.66Å
196	Y	69.1	Low	79.6	Confident	41 Å²	41	40.4 Å²	40.4	16%	0.161	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-61.1	126.4	-179.2	-164.6	-80.5	0	0	0	111.3	C159 E163 F165 H166 D172 F174 L198	C159-Y196 PolarHBondContact SG-OH 2.84Å; E163-Y196 PolarHBondContact O-OH 2.77Å; F165-Y196 HydrophobicContact CB-CD2 4.24Å; F165-Y196 HydrophobicContact CB-CE2 4.1Å; F165-Y196 AromaticContact CD2-CE2 3.94Å; F165-Y196 HydrophobicContact CD2-CE2 3.94Å; H166-Y196 AromaticContact CD2-CD1 3.38Å; H166-Y196 WeakPolarHBondContact CD2-CD1 3.19Å; H166-Y196 AromaticContact NE2-CD1 3.8Å; H166-Y196 PolarHBondContact NE2-O 3.41Å; D172-Y196 WeakPolarHBondContact O-CB 3.44Å; D172-Y196 PolarHBondContact O-N 3.49Å; F174-Y196 HydrophobicContact CE2-CD2 4.24Å; Y196-L198 VanDerWaalsContact C-N 3.3Å
197	G	64.4	Low	78.9	Confident	69 Å²	69	43.3 Å²	43.3	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-9.5	-179.3	0	0	0	0	0	114.7	V195	V195-G197 PolarHBondContact O-N 3.41Å
198	L	72.9	Confident	78.4	Confident	128 Å²	128	43.5 Å²	43.5	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-43.7	168.1	-63.6	-179	0	0	0	111.1	V195 Y196	V195-L198 HydrophobicContact CB-CB 4.18Å; V195-L198 HydrophobicContact CB-CD1 4.04Å; V195-L198 HydrophobicContact CB-CG 4.38Å; V195-L198 HydrophobicContact CG1-CB 4.46Å; V195-L198 HydrophobicContact CG1-CD1 3.78Å; V195-L198 HydrophobicContact CG1-CG 4.14Å; V195-L198 PolarHBondContact O-N 3.45Å; V195-L198 VanDerWaalsContact O-N 3.1Å; Y196-L198 VanDerWaalsContact C-N 3.3Å
199	D	72.6	Confident	77.6	Confident	65 Å²	65	51.4 Å²	51.4	35%	0.348	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-89.9	133	-179.9	-61.1	-50.4	0	0	0	111.1	L157 V194 V195	L157-D199 HydrophobicContact CD1-CB 4.06Å; V194-D199 WeakPolarHBondContact CA-OD2 3.46Å; V194-D199 HydrophobicContact CG1-CB 4.01Å; V195-D199 PolarHBondContact N-OD2 3.08Å; V195-D199 PolarHBondContact O-N 2.66Å
200	T	72	Confident	76.8	Confident	104 Å²	104	51.4 Å²	51.4	64%	0.638	28%	0.277	S	S	*	.	S	Bend	trans	-91.7	-16.4	177	53.8	0	0	0	0	113.1	L157	L157-T200 CarbonylContact C-O 3.48Å; L157-T200 WeakPolarHBondContact CA-O 3.27Å; L157-T200 PolarHBondContact N-O 2.54Å
201	D	75.2	Confident	75.9	Confident	29 Å²	29	53.2 Å²	53.2	16%	0.155	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	165.3	180	52.1	28.3	0	0	0	111.8	R154 I155 L157	R154-D201 HydrophobicContact CG-CB 4.35Å; R154-D201 IonicContact CZ-OD2 2.82Å; R154-D201 IonicContact NE-OD2 2.84Å; R154-D201 PolarHBondContact NE-OD2 3.08Å; R154-D201 IonicContact NH2-OD2 3.97Å; R154-D201 PolarHBondContact NH2-OD2 3.11Å; I155-D201 CarbonylContact O-C 3.49Å; I155-D201 VanDerWaalsContact O-CA 3.29Å; I155-D201 WeakPolarHBondContact O-CA 3.22Å; I155-D201 WeakPolarHBondContact O-CB 3.49Å; L157-D201 VanDerWaalsContact CD1-C 3.49Å
202	V	82.4	Confident	74.8	Confident	2 Å²	2	54 Å²	54	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113	163.7	-167	0	0	0	0	107.1	R154 I155 L157 V176 K192 V194 F204	R154-V202 WeakPolarHBondContact CA-O 3.36Å; I155-V202 HydrophobicContact CB-CB 4.17Å; I155-V202 PolarHBondContact N-O 3.18Å; I155-V202 PolarHBondContact O-N 3.3Å; L157-V202 HydrophobicContact CD1-CG2 3.83Å; L157-V202 HydrophobicContact CD2-CG2 3.75Å; L157-V202 HydrophobicContact CG-CG2 3.83Å; V176-V202 HydrophobicContact CB-CG1 4.21Å; V176-V202 HydrophobicContact CG1-CG1 4.28Å; V176-V202 HydrophobicContact CG2-CG2 4.49Å; K192-V202 HydrophobicContact CB-CG1 4.14Å; V194-V202 HydrophobicContact CG2-CB 4.45Å; V194-V202 HydrophobicContact CG2-CG1 4.19Å; V194-V202 HydrophobicContact CG2-CG2 3.69Å; V202-F204 HydrophobicContact CG1-CD2 4.5Å; V202-F204 HydrophobicContact CG1-CE1 4.24Å; V202-F204 HydrophobicContact CG1-CE2 3.75Å; V202-F204 HydrophobicContact CG1-CZ 3.6Å
203	Q	83	Confident	73.9	Confident	73 Å²	73	51.7 Å²	51.7	34%	0.341	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.1	175.3	-173.8	174.5	-44.2	0	0	110.5	K192 D205	K192-Q203 WeakPolarHBondContact CE-O 3.09Å; K192-Q203 PolarHBondContact NZ-O 2.67Å; Q203-D205 PolarHBondContact NE2-OD1 3.3Å
204	F	82.3	Confident	73	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.9	169.9	-58.2	-76.2	0	0	0	108.3	I153 I155 V176 A178 T189 Q190 K192 V202 E206	I153-F204 HydrophobicContact CB-CB 4.35Å; I153-F204 HydrophobicContact CB-CD2 3.97Å; I153-F204 HydrophobicContact CG2-CD2 3.97Å; I153-F204 PolarHBondContact O-N 3.4Å; I155-F204 HydrophobicContact CD1-CE2 4.03Å; V176-F204 HydrophobicContact CG1-CZ 4.13Å; A178-F204 HydrophobicContact CB-CE2 4.32Å; T189-F204 VanDerWaalsContact CB-CD1 3.42Å; T189-F204 HydrophobicContact CG2-CB 3.96Å; T189-F204 HydrophobicContact CG2-CD1 4.09Å; T189-F204 HydrophobicContact CG2-CD2 4.28Å; T189-F204 HydrophobicContact CG2-CG 3.84Å; T189-F204 WeakPolarHBondContact OG1-CD1 3.4Å; T189-F204 WeakPolarHBondContact OG1-CE1 3.47Å; Q190-F204 WeakPolarHBondContact O-CE1 3.34Å; K192-F204 HydrophobicContact CB-CE1 3.99Å; K192-F204 HydrophobicContact CG-CD1 3.63Å; K192-F204 HydrophobicContact CG-CE1 3.52Å; K192-F204 HydrophobicContact CG-CZ 4.47Å; V202-F204 HydrophobicContact CG1-CD2 4.5Å; V202-F204 HydrophobicContact CG1-CE1 4.24Å; V202-F204 HydrophobicContact CG1-CE2 3.75Å; V202-F204 HydrophobicContact CG1-CZ 3.6Å; F204-E206 VanDerWaalsContact C-N 3.26Å
205	D	74.3	Confident	72.2	Confident	93 Å²	93	52 Å²	52	50%	0.497	29%	0.287	S	S	.	.			trans	-88.8	-0.8	-173.8	-53.7	-59.9	0	0	0	112	K192 Q203	K192-D205 IonicContact NZ-OD2 3.77Å; K192-D205 PolarHBondContact NZ-OD2 2.83Å; Q203-D205 PolarHBondContact NE2-OD1 3.3Å
206	E	69	Low	71.8	Confident	19 Å²	19	57.4 Å²	57.4	9%	0.089	32%	0.316	C	S	.	.			trans	-85.5	140.4	-170.4	-51.4	94.3	-151.6	0	0	112	V53 T189 Q190 F204	V53-E206 HydrophobicContact CG2-CB 4.34Å; V53-E206 HydrophobicContact CG2-CG 3.79Å; T189-E206 WeakPolarHBondContact CB-OE2 2.89Å; Q190-E206 VanDerWaalsContact CB-OE1 3.25Å; Q190-E206 WeakPolarHBondContact CB-OE1 3.38Å; Q190-E206 VanDerWaalsContact CG-CD 3.41Å; Q190-E206 HydrophobicContact CG-CG 3.78Å; Q190-E206 WeakPolarHBondContact CG-OE1 3.48Å; Q190-E206 PolarHBondContact N-OE2 3.02Å; Q190-E206 PolarHBondContact OE1-OE1 2.91Å; F204-E206 VanDerWaalsContact C-N 3.26Å
207	V	70.8	Confident	72.2	Confident	60 Å²	60	55.7 Å²	55.7	36%	0.364	31%	0.309	S	S	.	.			trans	-92.8	107.1	174.5	171.8	0	0	0	0	109.1	L150 R209	L150-V207 HydrophobicContact CB-CG1 4.15Å; L150-V207 HydrophobicContact CD1-CB 4.22Å; L150-V207 HydrophobicContact CD1-CG1 3.49Å; L150-V207 VanDerWaalsContact CD1-CG1 3.49Å; L150-V207 HydrophobicContact CD1-CG2 3.66Å; L150-V207 HydrophobicContact CD2-CG2 4.48Å; L150-V207 HydrophobicContact CG-CB 4.29Å; L150-V207 HydrophobicContact CG-CG1 3.62Å; L150-V207 HydrophobicContact CG-CG2 3.82Å; V207-R209 HydrophobicContact CG1-CG 4.1Å
208	L	75	Confident	73	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	30%	0.296	C	S	.	.			trans	-85.4	124.6	174.1	-55.7	-176.8	0	0	0	110.5	V53 C149 L151 F180 C187 D188 T189	V53-L208 HydrophobicContact CG1-CD2 4.08Å; C149-L208 CarbonylContact C-O 3.59Å; L151-L208 HydrophobicContact CB-CB 4.46Å; L151-L208 HydrophobicContact CD1-CB 4.04Å; L151-L208 HydrophobicContact CD1-CD1 4.41Å; F180-L208 HydrophobicContact CD2-CD1 3.3Å; F180-L208 HydrophobicContact CE2-CD1 3.63Å; F180-L208 HydrophobicContact CG-CD1 4.07Å; C187-L208 HydrophobicContact CB-CB 4.48Å; C187-L208 HydrophobicContact CB-CD1 4.28Å; C187-L208 HydrophobicContact CB-CD2 4.37Å; D188-L208 WeakPolarHBondContact O-CD2 3.38Å; T189-L208 HydrophobicContact CG2-CD1 4.07Å
209	R	71	Confident	73.6	Confident	166 Å²	166	49.3 Å²	49.3	63%	0.626	26%	0.264	S	S	*	.			trans	-110.8	130.2	-179.1	-60.4	-178.2	-173.9	132.1	-0.5	110.7	V207	V207-R209 HydrophobicContact CG1-CG 4.1Å
210	F	72.3	Confident	74.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.			trans	-110.6	145.3	168.7	-66.5	-84.4	0	0	0	108.8	C149 L151 F180 L182 D185 C187 V213 M219	C149-F210 HydrophobicContact CB-CD2 4.2Å; L151-F210 HydrophobicContact CD1-CE2 3.97Å; F180-F210 HydrophobicContact CB-CE2 4.13Å; F180-F210 HydrophobicContact CB-CZ 3.59Å; L182-F210 HydrophobicContact CB-CD1 3.87Å; L182-F210 HydrophobicContact CB-CE1 3.87Å; L182-F210 HydrophobicContact CD2-CB 3.81Å; L182-F210 HydrophobicContact CD2-CD1 3.8Å; L182-F210 HydrophobicContact CD2-CG 3.84Å; L182-F210 HydrophobicContact CG-CD1 4.46Å; D185-F210 HydrophobicContact CB-CD1 4.1Å; D185-F210 HydrophobicContact CB-CE1 4.26Å; D185-F210 WeakPolarHBondContact OD2-CD1 3.47Å; C187-F210 HydrophobicContact CB-CE1 4.16Å; C187-F210 HydrophobicContact CB-CE2 4.48Å; C187-F210 HydrophobicContact CB-CZ 3.74Å; F210-V213 HydrophobicContact CB-CG2 3.76Å; F210-M219 HydrophobicContact CD2-CE 3.65Å; F210-M219 HydrophobicContact CE2-CE 3.7Å; F210-M219 HydrophobicContact CE2-SD 4.15Å; F210-M219 HydrophobicContact CG-CE 4.17Å; F210-M219 HydrophobicContact CZ-CE 4.27Å
211	Q	67.6	Low	75.2	Confident	93 Å²	93	44.3 Å²	44.3	44%	0.435	23%	0.229	S	C	.	.			trans	-118.8	151.5	174.8	-65.8	-178.1	1.3	0	0	109.9	P146 V213	P146-Q211 HydrophobicContact CB-CB 4.38Å; Q211-V213 PolarHBondContact O-N 3.12Å
212	N	66.4	Low	76	Confident	38 Å²	38	43 Å²	43	20%	0.203	22%	0.221	C	C	.	.	S	Bend	trans	58.8	37.7	176	-52.2	-67.8	0	0	0	112.2	H145 P146	H145-N212 VanDerWaalsContact CB-OD1 3.27Å; H145-N212 WeakPolarHBondContact CB-OD1 3.27Å; P146-N212 HydrophobicContact CB-CB 4.27Å; P146-N212 WeakPolarHBondContact CB-OD1 3.29Å
213	V	69.4	Low	76.4	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.221	C	C	.	.			trans	-62.3	136.9	173.8	-172.3	0	0	0	0	108.2	F147 L182 F210 Q211 F217	F147-V213 HydrophobicContact CB-CB 3.74Å; F147-V213 HydrophobicContact CB-CG2 3.83Å; F147-V213 HydrophobicContact CD2-CB 3.77Å; F147-V213 WeakPolarHBondContact CD2-O 3.36Å; F147-V213 WeakPolarHBondContact CE2-O 3.33Å; F147-V213 HydrophobicContact CG-CB 3.88Å; L182-V213 HydrophobicContact CD1-CG1 4.39Å; L182-V213 HydrophobicContact CD2-CB 4.13Å; L182-V213 HydrophobicContact CD2-CG1 3.83Å; L182-V213 HydrophobicContact CD2-CG2 3.59Å; F210-V213 HydrophobicContact CB-CG2 3.76Å; Q211-V213 PolarHBondContact O-N 3.12Å; V213-F217 HydrophobicContact CG1-CB 3.48Å; V213-F217 VanDerWaalsContact CG1-CB 3.48Å; V213-F217 HydrophobicContact CG1-CD1 3.79Å; V213-F217 HydrophobicContact CG1-CG 3.68Å
214	P	66.4	Low	76.8	Confident	41 Å²	41	39.9 Å²	39.9	27%	0.266	21%	0.207	S	C	.	.			trans	-81.5	160.5	172.6	34	-35.7	0	0	0	110.7	D216 F217	P214-D216 VanDerWaalsContact C-N 3.26Å; P214-D216 WeakPolarHBondContact CB-OD1 3.18Å; P214-D216 PolarHBondContact O-N 2.84Å; P214-F217 HydrophobicContact CG-CB 4.2Å; P214-F217 WeakPolarHBondContact O-CB 3.25Å; P214-F217 PolarHBondContact O-N 2.97Å
215	A	63	Low	77.1	Confident	41 Å²	41	39.9 Å²	39.9	34%	0.339	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.9	-179	0	0	0	0	0	112.8	L140 F217	L140-A215 HydrophobicContact CD1-CB 4.48Å; A215-F217 VanDerWaalsContact C-N 3.28Å; A215-F217 PolarHBondContact O-N 2.94Å
216	D	68.3	Low	77.7	Confident	137 Å²	137	35.5 Å²	35.5	73%	0.733	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	34.8	175.3	62.6	-27	0	0	0	112	P214	P214-D216 VanDerWaalsContact C-N 3.26Å; P214-D216 WeakPolarHBondContact CB-OD1 3.18Å; P214-D216 PolarHBondContact O-N 2.84Å
217	F	77.2	Confident	78.2	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.018	18%	0.183	C	C	.	.			trans	-61.3	144	-176.6	72.1	-90.4	0	0	0	112.5	L182 V213 P214 A215 M219 D278 V279 L312 L314	L182-F217 HydrophobicContact CD1-CB 3.84Å; L182-F217 HydrophobicContact CD1-CD2 4.37Å; V213-F217 HydrophobicContact CG1-CB 3.48Å; V213-F217 VanDerWaalsContact CG1-CB 3.48Å; V213-F217 HydrophobicContact CG1-CD1 3.79Å; V213-F217 HydrophobicContact CG1-CG 3.68Å; P214-F217 HydrophobicContact CG-CB 4.2Å; P214-F217 WeakPolarHBondContact O-CB 3.25Å; P214-F217 PolarHBondContact O-N 2.97Å; A215-F217 VanDerWaalsContact C-N 3.28Å; A215-F217 PolarHBondContact O-N 2.94Å; F217-M219 HydrophobicContact CD2-CB 4.27Å; F217-M219 HydrophobicContact CE2-CB 4.49Å; F217-D278 WeakPolarHBondContact O-CB 3.38Å; F217-V279 HydrophobicContact CE1-CB 3.88Å; F217-V279 HydrophobicContact CE1-CG2 4.38Å; F217-V279 HydrophobicContact CZ-CB 4.14Å; F217-L312 HydrophobicContact CE2-CD2 4.43Å; F217-L312 HydrophobicContact CZ-CD2 3.91Å; F217-L314 HydrophobicContact CE1-CD2 4.31Å
218	S	82.4	Confident	78.5	Confident	64 Å²	64	32.9 Å²	32.9	45%	0.448	17%	0.169	S	C	.	.			trans	-121.6	115.2	164.1	-173.9	0	0	0	0	108.1
219	M	85	Confident	78.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	140.8	178.5	-169	171.3	-70.3	0	0	109.6	L151 F180 L182 F210 F217 R276 F277	L151-M219 HydrophobicContact CD1-SD 4.38Å; F180-M219 HydrophobicContact CD1-CG 4.29Å; F180-M219 HydrophobicContact CD1-SD 3.66Å; F180-M219 HydrophobicContact CE1-SD 4.41Å; L182-M219 HydrophobicContact CB-CE 4.1Å; L182-M219 HydrophobicContact CB-CG 4.48Å; L182-M219 HydrophobicContact CD1-CB 4.36Å; L182-M219 HydrophobicContact CD1-CE 4.27Å; L182-M219 HydrophobicContact CD2-CE 3.99Å; L182-M219 HydrophobicContact CG-CE 4.33Å; F210-M219 HydrophobicContact CD2-CE 3.65Å; F210-M219 HydrophobicContact CE2-CE 3.7Å; F210-M219 HydrophobicContact CE2-SD 4.15Å; F210-M219 HydrophobicContact CG-CE 4.17Å; F210-M219 HydrophobicContact CZ-CE 4.27Å; F217-M219 HydrophobicContact CD2-CB 4.27Å; F217-M219 HydrophobicContact CE2-CB 4.49Å; M219-R276 WeakPolarHBondContact O-CA 3.29Å; M219-F277 HydrophobicContact CB-CD1 4.31Å; M219-F277 HydrophobicContact CB-CD2 4.25Å; M219-F277 HydrophobicContact CB-CE1 3.87Å; M219-F277 HydrophobicContact CB-CE2 3.81Å; M219-F277 HydrophobicContact CB-CG 4.49Å; M219-F277 HydrophobicContact CB-CZ 3.63Å; M219-F277 HydrophobicContact CG-CE1 3.81Å; M219-F277 HydrophobicContact CG-CE2 4.19Å; M219-F277 HydrophobicContact CG-CZ 3.55Å; M219-F277 PolarHBondContact N-O 2.78Å; M219-F277 PolarHBondContact O-N 2.84Å; M219-F277 HydrophobicContact SD-CE1 4.09Å; M219-F277 HydrophobicContact SD-CE2 3.9Å; M219-F277 HydrophobicContact SD-CZ 3.29Å; M219-F277 WeakPolarHBondContact SD-CZ 3.12Å
220	R	89.6	Confident	78	Confident	64 Å²	64	25.4 Å²	25.4	24%	0.242	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.8	175.2	-167.6	-163.2	-169.9	167.6	8.3	109.6	F180 E181 I222 V274 F275 R276	F180-R220 CarbonylContact C-O 3.45Å; F180-R220 WeakPolarHBondContact CA-O 3.38Å; E181-R220 HydrophobicContact CB-CB 4.16Å; E181-R220 PolarHBondContact N-O 2.89Å; E181-R220 PolarHBondContact O-N 3.47Å; E181-R220 WeakPolarHBondContact OE2-CD 3.3Å; E181-R220 IonicContact OE2-CZ 3.48Å; E181-R220 IonicContact OE2-NE 2.61Å; E181-R220 IonicContact OE2-NH1 3.64Å; E181-R220 PolarHBondContact OE2-NH1 3.41Å; R220-I222 HydrophobicContact CG-CG1 4.32Å; R220-V274 HydrophobicContact CG-CG1 3.93Å; R220-F275 CarbonylContact C-O 3.53Å; R220-F275 VanDerWaalsContact CA-O 3.24Å; R220-F275 WeakPolarHBondContact CA-O 3.42Å; R220-F275 VanDerWaalsContact CG-O 3.25Å; R220-F275 WeakPolarHBondContact CG-O 3.49Å; R220-R276 HydrophobicContact CG-CG 4.27Å
221	L	89.6	Confident	77.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.1	171.2	162.8	63.2	0	0	0	109.3	A178 L179 F180 I223 V274 F275 F277 L290 V308 F310	A178-L221 HydrophobicContact CB-CD1 3.78Å; L179-L221 CarbonylContact O-C 3.5Å; F180-L221 HydrophobicContact CD1-CB 4.3Å; F180-L221 HydrophobicContact CD1-CD1 4.39Å; F180-L221 HydrophobicContact CD2-CD1 4.16Å; F180-L221 HydrophobicContact CE1-CB 4.09Å; F180-L221 HydrophobicContact CE1-CD1 3.95Å; F180-L221 HydrophobicContact CE1-CD2 4.39Å; F180-L221 HydrophobicContact CE1-CG 4.35Å; F180-L221 HydrophobicContact CE2-CD1 3.64Å; F180-L221 HydrophobicContact CZ-CD1 3.55Å; F180-L221 HydrophobicContact CZ-CD2 4.27Å; F180-L221 HydrophobicContact CZ-CG 4.31Å; L221-I223 HydrophobicContact CD1-CG1 4.28Å; L221-I223 HydrophobicContact CG-CG1 4.44Å; L221-V274 CarbonylContact O-C 3.3Å; L221-V274 WeakPolarHBondContact O-CA 3.24Å; L221-F275 HydrophobicContact CB-CB 4.31Å; L221-F275 HydrophobicContact CB-CD2 4.38Å; L221-F275 HydrophobicContact CD2-CD2 3.96Å; L221-F275 HydrophobicContact CD2-CE2 4.46Å; L221-F275 HydrophobicContact CG-CD2 4.01Å; L221-F275 PolarHBondContact N-O 2.64Å; L221-F275 PolarHBondContact O-N 3.26Å; L221-F277 HydrophobicContact CB-CE1 4.08Å; L221-L290 HydrophobicContact CD2-CD1 4.18Å; L221-V308 HydrophobicContact CD2-CG1 3.77Å; L221-F310 HydrophobicContact CD2-CE1 4.04Å
222	I	91.3	Very high	77	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.5	175.6	-52.3	177.5	0	0	0	108.6	A178 L179 E181 R220 Y224 K271 A273 V274	A178-I222 CarbonylContact C-O 3.54Å; A178-I222 WeakPolarHBondContact CA-O 3.45Å; L179-I222 HydrophobicContact CB-CB 4.5Å; L179-I222 HydrophobicContact CD2-CD1 4.24Å; L179-I222 PolarHBondContact N-O 3.17Å; L179-I222 PolarHBondContact O-N 3.2Å; E181-I222 HydrophobicContact CG-CD1 4.49Å; E181-I222 WeakPolarHBondContact OE1-CD1 3.46Å; R220-I222 HydrophobicContact CG-CG1 4.32Å; I222-Y224 HydrophobicContact CB-CE2 4.01Å; I222-Y224 HydrophobicContact CG2-CD2 3.88Å; I222-Y224 HydrophobicContact CG2-CE2 3.34Å; I222-K271 HydrophobicContact CG2-CD 4.33Å; I222-K271 HydrophobicContact CG2-CG 4.07Å; I222-A273 WeakPolarHBondContact CA-O 3.09Å; I222-V274 HydrophobicContact CG1-CG1 4.22Å; I222-V274 HydrophobicContact CG1-CG2 4.28Å; I222-V274 HydrophobicContact CG2-CG2 4.17Å
223	I	90.3	Very high	76.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.4	176.4	-60.8	169.7	0	0	0	108.7	I155 V176 L221 I272 A273 F275 L292 P303 V308	I155-I223 HydrophobicContact CD1-CD1 3.8Å; I155-I223 HydrophobicContact CD1-CG1 4.42Å; I155-I223 HydrophobicContact CD1-CG2 4.47Å; V176-I223 HydrophobicContact CG1-CG2 4.01Å; L221-I223 HydrophobicContact CD1-CG1 4.28Å; L221-I223 HydrophobicContact CG-CG1 4.44Å; I223-I272 HydrophobicContact CG2-CB 4.48Å; I223-I272 PolarHBondContact O-N 3.06Å; I223-A273 HydrophobicContact CD1-CB 4.46Å; I223-A273 PolarHBondContact N-O 3.15Å; I223-F275 HydrophobicContact CD1-CE2 3.85Å; I223-L292 HydrophobicContact CD1-CD2 4Å; I223-P303 HydrophobicContact CG2-CG 4.2Å; I223-V308 HydrophobicContact CD1-CG2 3.37Å
224	Y	91.9	Very high	75.9	Confident	10 Å²	10	39 Å²	39	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.6	176.5	-73	-90.3	0	0	0	110.2	I101 V176 F177 L179 I222 F269 E270 K271	I101-Y224 HydrophobicContact CD1-CD1 4.3Å; I101-Y224 HydrophobicContact CD1-CE1 4.28Å; I101-Y224 HydrophobicContact CG2-CE1 4.03Å; I101-Y224 HydrophobicContact CG2-CE2 4.17Å; V176-Y224 VanDerWaalsContact CA-O 3.32Å; V176-Y224 WeakPolarHBondContact CA-O 3.31Å; V176-Y224 WeakPolarHBondContact CG1-O 3.43Å; F177-Y224 HydrophobicContact CD2-CD2 4.31Å; F177-Y224 HydrophobicContact CE1-CD2 4.16Å; F177-Y224 AromaticContact CE1-CG 3.83Å; F177-Y224 HydrophobicContact CE1-CG 3.83Å; F177-Y224 AromaticContact CE2-CD2 3.53Å; F177-Y224 HydrophobicContact CE2-CD2 3.53Å; F177-Y224 HydrophobicContact CE2-CE2 4.15Å; F177-Y224 HydrophobicContact CE2-CG 4.07Å; F177-Y224 HydrophobicContact CZ-CD1 4.26Å; F177-Y224 AromaticContact CZ-CD2 3.43Å; F177-Y224 HydrophobicContact CZ-CD2 3.43Å; F177-Y224 VanDerWaalsContact CZ-CD2 3.43Å; F177-Y224 HydrophobicContact CZ-CE2 4.13Å; F177-Y224 AromaticContact CZ-CG 3.5Å; F177-Y224 HydrophobicContact CZ-CG 3.5Å; F177-Y224 PolarHBondContact N-O 2.93Å; F177-Y224 VanDerWaalsContact N-O 3.1Å; F177-Y224 PolarHBondContact O-N 2.73Å; L179-Y224 HydrophobicContact CB-CE2 4.24Å; L179-Y224 HydrophobicContact CD1-CE2 4.41Å; I222-Y224 HydrophobicContact CB-CE2 4.01Å; I222-Y224 HydrophobicContact CG2-CD2 3.88Å; I222-Y224 HydrophobicContact CG2-CE2 3.34Å; Y224-F269 HydrophobicContact CD1-CB 4.06Å; Y224-E270 CarbonylContact C-O 3.11Å; Y224-E270 VanDerWaalsContact CA-O 3.28Å; Y224-E270 WeakPolarHBondContact CA-O 3.36Å; Y224-K271 HydrophobicContact CD1-CG 3.87Å; Y224-K271 HydrophobicContact CE1-CB 4.4Å; Y224-K271 HydrophobicContact CE1-CD 4.24Å; Y224-K271 HydrophobicContact CE1-CG 3.26Å; Y224-K271 WeakPolarHBondContact OH-CE 3.33Å
225	S	89	Confident	75.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.2	174	-171.1	0	0	0	0	111.4	S175 F269 E270 P302	S175-S225 CarbonylContact O-C 3.57Å; S175-S225 VanDerWaalsContact O-CA 3.25Å; S175-S225 WeakPolarHBondContact O-CA 3.28Å; S225-F269 WeakPolarHBondContact O-CA 3.5Å; S225-E270 PolarHBondContact N-O 2.81Å; S225-E270 PolarHBondContact O-N 2.81Å; S225-P302 WeakPolarHBondContact CB-O 3.25Å; S225-P302 PolarHBondContact OG-O 3.24Å
226	R	85.4	Confident	74.8	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	130.3	176.4	173.8	178	169.1	-158.3	-4.4	109.1	S94 F174 S175 Y266 N267 F269	S94-R226 VanDerWaalsContact CA-NH1 3.3Å; S94-R226 VanDerWaalsContact N-NH1 3.19Å; S94-R226 PolarHBondContact OG-NH1 2.9Å; F174-R226 CarbonylContact C-O 3.48Å; F174-R226 WeakPolarHBondContact CA-O 3.33Å; S175-R226 PolarHBondContact N-O 2.86Å; S175-R226 PolarHBondContact O-N 2.68Å; R226-Y266 PolarHBondContact NE-O 3.34Å; R226-N267 WeakPolarHBondContact CD-O 3.37Å; R226-N267 VanDerWaalsContact CZ-O 3.24Å; R226-N267 VanDerWaalsContact NE-C 3.35Å; R226-N267 PolarHBondContact NE-O 3.47Å; R226-N267 PolarHBondContact NH1-O 3.38Å; R226-N267 PolarHBondContact NH2-OD1 3Å; R226-F269 HydrophobicContact CB-CD1 3.65Å; R226-F269 HydrophobicContact CB-CD2 4.36Å; R226-F269 HydrophobicContact CB-CE1 3.68Å; R226-F269 HydrophobicContact CB-CE2 4.36Å; R226-F269 HydrophobicContact CB-CG 3.98Å; R226-F269 HydrophobicContact CB-CZ 4.02Å
227	A	80.3	Confident	74.3	Confident	11 Å²	11	46.1 Å²	46.1	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.9	170.2	0	0	0	0	0	111.4	F171 F174 Y266 L301	F171-A227 HydrophobicContact CB-CB 4.12Å; F171-A227 HydrophobicContact CD2-CB 3.71Å; F171-A227 HydrophobicContact CE2-CB 4.35Å; F171-A227 HydrophobicContact CG-CB 3.83Å; F174-A227 HydrophobicContact CD1-CB 3.99Å; F174-A227 HydrophobicContact CE1-CB 4.05Å; A227-Y266 HydrophobicContact CB-CE2 4.34Å; A227-L301 HydrophobicContact CB-CD2 3.82Å
228	L	78	Confident	73.5	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.5	174.9	-62.7	-178.2	0	0	0	110.8	F171 M173 S175 T193 S230 Y266	F171-L228 WeakPolarHBondContact CD1-O 3.22Å; M173-L228 HydrophobicContact CB-CB 3.91Å; M173-L228 HydrophobicContact CB-CD1 4.44Å; M173-L228 PolarHBondContact O-N 3.43Å; S175-L228 WeakPolarHBondContact OG-CD1 3.48Å; T193-L228 HydrophobicContact CG2-CD1 3.8Å; L228-S230 PolarHBondContact O-N 3.25Å; L228-Y266 WeakPolarHBondContact CA-OH 3.46Å; L228-Y266 PolarHBondContact O-OH 3.38Å; L228-Y266 VanDerWaalsContact O-OH 3.13Å
229	P	68.2	Low	72.4	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.013	25%	0.25	C	C	.	.			trans	-67.9	138.4	-177.2	-16.7	26.8	0	0	0	108.8	C233 V237 Y266	P229-C233 HydrophobicContact CB-CB 4.37Å; P229-V237 HydrophobicContact CB-CG2 3.8Å; P229-V237 HydrophobicContact CG-CB 4.49Å; P229-V237 HydrophobicContact CG-CG1 4.33Å; P229-V237 HydrophobicContact CG-CG2 3.92Å; P229-Y266 WeakPolarHBondContact CA-OH 3.4Å; P229-Y266 VanDerWaalsContact CD-OH 3.26Å; P229-Y266 WeakPolarHBondContact CD-OH 3.45Å; P229-Y266 HydrophobicContact CG-CE1 3.58Å
230	S	65.5	Low	71.2	Confident	11 Å²	11	53.7 Å²	53.7	8%	0.077	26%	0.261	C	S	.	.			trans	-55.8	148	170.3	172	0	0	0	0	112	D172 L228 D232 C233 Q234	D172-S230 WeakPolarHBondContact OD1-CA 3.48Å; D172-S230 WeakPolarHBondContact OD1-CB 3.44Å; D172-S230 PolarHBondContact OD1-OG 3.45Å; D172-S230 WeakPolarHBondContact OD2-CB 3.48Å; D172-S230 PolarHBondContact OD2-OG 2.96Å; L228-S230 PolarHBondContact O-N 3.25Å; S230-D232 PolarHBondContact O-N 2.9Å; S230-D232 VanDerWaalsContact O-N 3.11Å; S230-C233 CarbonylContact O-C 3.42Å; S230-C233 VanDerWaalsContact O-CA 3.29Å; S230-C233 WeakPolarHBondContact O-CA 3.44Å; S230-C233 WeakPolarHBondContact O-CB 3.41Å; S230-C233 PolarHBondContact O-N 3.47Å; S230-Q234 PolarHBondContact O-N 3.41Å
231	R	63.3	Low	70	Confident	156 Å²	156	52 Å²	52	59%	0.589	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-36.6	178	-65.1	-174.2	-178.6	-171.1	1.7	111.1	M173 C233 Q234	M173-R231 HydrophobicContact SD-CG 3.92Å; R231-C233 VanDerWaalsContact C-N 3.34Å; R231-Q234 WeakPolarHBondContact O-CB 3.26Å; R231-Q234 PolarHBondContact O-N 2.67Å
232	D	56.2	Low	68.7	Low	137 Å²	137	60.8 Å²	60.8	73%	0.733	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-30.4	176.7	-65.8	-25.4	0	0	0	112.8	S230	S230-D232 PolarHBondContact O-N 2.9Å; S230-D232 VanDerWaalsContact O-N 3.11Å
233	C	55	Low	67.2	Low	41 Å²	41	70.6 Å²	70.6	28%	0.277	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-17.8	176.7	-69.5	0	0	0	0	113.4	P229 S230 R231 N235 R236 V237	P229-C233 HydrophobicContact CB-CB 4.37Å; S230-C233 CarbonylContact O-C 3.42Å; S230-C233 VanDerWaalsContact O-CA 3.29Å; S230-C233 WeakPolarHBondContact O-CA 3.44Å; S230-C233 WeakPolarHBondContact O-CB 3.41Å; S230-C233 PolarHBondContact O-N 3.47Å; R231-C233 VanDerWaalsContact C-N 3.34Å; C233-N235 PolarHBondContact O-N 2.84Å; C233-N235 VanDerWaalsContact O-N 3.13Å; C233-R236 WeakPolarHBondContact O-CA 3.46Å; C233-R236 WeakPolarHBondContact O-CB 3.29Å; C233-R236 PolarHBondContact O-N 3.44Å; C233-V237 WeakPolarHBondContact O-CG2 3.34Å; C233-V237 PolarHBondContact O-N 2.77Å
234	Q	57	Low	65.7	Low	86 Å²	86	73.1 Å²	73.1	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-55.8	-34.3	179.8	-74.7	-175.4	1	0	0	112.2	S230 R231 S238	S230-Q234 PolarHBondContact O-N 3.41Å; R231-Q234 WeakPolarHBondContact O-CB 3.26Å; R231-Q234 PolarHBondContact O-N 2.67Å; Q234-S238 WeakPolarHBondContact O-CB 3.27Å; Q234-S238 PolarHBondContact O-N 2.77Å; Q234-S238 PolarHBondContact O-OG 2.9Å
235	N	51.3	Low	64.2	Low	119 Å²	119	74.6 Å²	74.6	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-66.9	-37.1	175.1	-76.4	-35.2	0	0	0	112.8	C233 K239	C233-N235 PolarHBondContact O-N 2.84Å; C233-N235 VanDerWaalsContact O-N 3.13Å; N235-K239 WeakPolarHBondContact O-CG 3.24Å; N235-K239 PolarHBondContact O-N 2.78Å
236	R	55.2	Low	62.8	Low	203 Å²	203	81.1 Å²	81.1	77%	0.766	37%	0.37	S	S	*	.	H	α-helix	trans	-72.6	-43.8	176.1	-66.7	-174.8	178.8	-166.9	0.9	111	C233 S238 K239 G240	C233-R236 WeakPolarHBondContact O-CA 3.46Å; C233-R236 WeakPolarHBondContact O-CB 3.29Å; C233-R236 PolarHBondContact O-N 3.44Å; R236-S238 VanDerWaalsContact C-N 3.31Å; R236-S238 PolarHBondContact O-N 2.88Å; R236-K239 WeakPolarHBondContact O-CB 3.48Å; R236-K239 PolarHBondContact O-N 2.76Å; R236-K239 VanDerWaalsContact O-N 3.17Å; R236-G240 PolarHBondContact O-N 3.39Å
237	V	57.5	Low	61.5	Low	46 Å²	46	83.3 Å²	83.3	28%	0.279	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-41	175.3	175.3	0	0	0	0	110.8	P229 C233 K239 G240 R241	P229-V237 HydrophobicContact CB-CG2 3.8Å; P229-V237 HydrophobicContact CG-CB 4.49Å; P229-V237 HydrophobicContact CG-CG1 4.33Å; P229-V237 HydrophobicContact CG-CG2 3.92Å; C233-V237 WeakPolarHBondContact O-CG2 3.34Å; C233-V237 PolarHBondContact O-N 2.77Å; V237-K239 VanDerWaalsContact C-N 3.35Å; V237-K239 PolarHBondContact O-N 3.26Å; V237-G240 PolarHBondContact O-N 3.43Å; V237-R241 HydrophobicContact CG1-CG 4.38Å; V237-R241 WeakPolarHBondContact O-CB 3.4Å; V237-R241 WeakPolarHBondContact O-CG 3.3Å; V237-R241 PolarHBondContact O-N 3.09Å
238	S	61.2	Low	60.4	Low	54 Å²	54	88 Å²	88	38%	0.378	40%	0.404	S	S	.	.	H	α-helix	trans	-61	-41	174.4	-64.3	0	0	0	0	112.4	Q234 R236 R242	Q234-S238 WeakPolarHBondContact O-CB 3.27Å; Q234-S238 PolarHBondContact O-N 2.77Å; Q234-S238 PolarHBondContact O-OG 2.9Å; R236-S238 VanDerWaalsContact C-N 3.31Å; R236-S238 PolarHBondContact O-N 2.88Å; S238-R242 WeakPolarHBondContact O-CG 3.17Å; S238-R242 PolarHBondContact O-N 3Å
239	K	59.4	Low	59.4	Low	148 Å²	148	94.1 Å²	94.1	64%	0.643	43%	0.426	S	S	*	.	H	α-helix	trans	-66.3	-40.8	173.8	-73.6	177.8	-177.6	179.8	0	111.8	N235 R236 V237 R242 R243	N235-K239 WeakPolarHBondContact O-CG 3.24Å; N235-K239 PolarHBondContact O-N 2.78Å; R236-K239 WeakPolarHBondContact O-CB 3.48Å; R236-K239 PolarHBondContact O-N 2.76Å; R236-K239 VanDerWaalsContact O-N 3.17Å; V237-K239 VanDerWaalsContact C-N 3.35Å; V237-K239 PolarHBondContact O-N 3.26Å; K239-R242 PolarHBondContact O-N 2.9Å; K239-R243 WeakPolarHBondContact O-CG 3.49Å; K239-R243 PolarHBondContact O-N 2.89Å; K239-R243 VanDerWaalsContact O-N 3.09Å
240	G	59.6	Low	58.8	Low	24 Å²	24	100.5 Å²	100.5	25%	0.247	45%	0.454	C	S	.	.	H	α-helix	trans	-62	-47.4	174.5	0	0	0	0	0	112.5	R236 V237 R242 R243 M244	R236-G240 PolarHBondContact O-N 3.39Å; V237-G240 PolarHBondContact O-N 3.43Å; G240-R242 PolarHBondContact O-N 3.26Å; G240-R243 WeakPolarHBondContact O-CB 3.25Å; G240-R243 PolarHBondContact O-N 3.34Å; G240-R243 VanDerWaalsContact O-N 3.13Å; G240-M244 WeakPolarHBondContact O-CE 3.26Å; G240-M244 PolarHBondContact O-N 3.01Å
241	R	65.2	Low	57.7	Low	29 Å²	29	106.2 Å²	106.2	11%	0.109	48%	0.483	C	S	.	.	H	α-helix	trans	-54	-48.2	173.9	-82.3	169.3	174.9	-103.2	4.5	111.6	W85 Y88 D90 V237 R243 M244 E245	W85-R241 HydrophobicContact CE3-CG 4.42Å; W85-R241 HydrophobicContact CH2-CG 4.08Å; W85-R241 HydrophobicContact CZ3-CG 3.5Å; W85-R241 PolarHBondContact O-NH1 3.23Å; Y88-R241 PolarHBondContact O-NH1 3.1Å; D90-R241 IonicContact OD1-CZ 3.83Å; D90-R241 IonicContact OD1-NH2 3.11Å; D90-R241 PolarHBondContact OD1-NH2 3.32Å; V237-R241 HydrophobicContact CG1-CG 4.38Å; V237-R241 WeakPolarHBondContact O-CB 3.4Å; V237-R241 WeakPolarHBondContact O-CG 3.3Å; V237-R241 PolarHBondContact O-N 3.09Å; R241-R243 PolarHBondContact O-N 3.07Å; R241-M244 PolarHBondContact O-N 3.38Å; R241-E245 VanDerWaalsContact O-CB 3.27Å; R241-E245 WeakPolarHBondContact O-CB 3.44Å; R241-E245 PolarHBondContact O-N 3.46Å
242	R	61.1	Low	56.5	Low	185 Å²	185	104 Å²	104	70%	0.698	49%	0.491	S	S	*	.	H	α-helix	trans	-62.2	-39.5	176.9	-72.9	178.7	-174.1	-175.1	3.7	112.8	S238 K239 G240 Y246	S238-R242 WeakPolarHBondContact O-CG 3.17Å; S238-R242 PolarHBondContact O-N 3Å; K239-R242 PolarHBondContact O-N 2.9Å; G240-R242 PolarHBondContact O-N 3.26Å; R242-Y246 PolarHBondContact O-N 2.92Å; R242-Y246 VanDerWaalsContact O-N 3.09Å
243	R	59.5	Low	55.6	Low	205 Å²	205	104.2 Å²	104.2	77%	0.774	49%	0.486	S	S	*	.	H	α-helix	trans	-65.8	-43.8	176.5	-75.6	-178.4	176.8	-175.8	-1.1	111.9	K239 G240 R241 Y246 A247	K239-R243 WeakPolarHBondContact O-CG 3.49Å; K239-R243 PolarHBondContact O-N 2.89Å; K239-R243 VanDerWaalsContact O-N 3.09Å; G240-R243 WeakPolarHBondContact O-CB 3.25Å; G240-R243 PolarHBondContact O-N 3.34Å; G240-R243 VanDerWaalsContact O-N 3.13Å; R241-R243 PolarHBondContact O-N 3.07Å; R243-Y246 WeakPolarHBondContact O-CB 3.33Å; R243-Y246 PolarHBondContact O-N 3.16Å; R243-A247 PolarHBondContact O-N 3.37Å
244	M	59.1	Low	54.8	Low	54 Å²	54	108.2 Å²	108.2	27%	0.266	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-37.5	177.7	-80.9	178.7	-82.8	0	0	113	W85 G240 R241 Y246 A247 R248 I263	W85-M244 HydrophobicContact CH2-CE 3.41Å; W85-M244 VanDerWaalsContact CH2-CE 3.41Å; W85-M244 HydrophobicContact CH2-SD 3.7Å; W85-M244 HydrophobicContact CZ2-CB 4.43Å; W85-M244 HydrophobicContact CZ2-CE 3.93Å; W85-M244 HydrophobicContact CZ2-SD 3.53Å; W85-M244 VanDerWaalsContact CZ2-SD 3.53Å; G240-M244 WeakPolarHBondContact O-CE 3.26Å; G240-M244 PolarHBondContact O-N 3.01Å; R241-M244 PolarHBondContact O-N 3.38Å; M244-Y246 PolarHBondContact O-N 2.92Å; M244-A247 PolarHBondContact O-N 3.25Å; M244-A247 VanDerWaalsContact O-N 3.17Å; M244-R248 PolarHBondContact O-N 2.99Å; M244-I263 HydrophobicContact CE-CD1 3.49Å; M244-I263 VanDerWaalsContact CE-CD1 3.49Å; M244-I263 HydrophobicContact CE-CG2 4.11Å; M244-I263 HydrophobicContact SD-CD1 3.36Å; M244-I263 WeakPolarHBondContact SD-CD1 3.25Å; M244-I263 HydrophobicContact SD-CG2 4.18Å
245	E	61.8	Low	53.7	Low	41 Å²	41	112.4 Å²	112.4	19%	0.192	53%	0.529	C	S	.	.	H	α-helix	trans	-56.1	-42.9	171.2	-179	178.1	-160.3	0	0	110.4	W86 R241 R249	W86-E245 HydrophobicContact CG-CB 4.23Å; R241-E245 VanDerWaalsContact O-CB 3.27Å; R241-E245 WeakPolarHBondContact O-CB 3.44Å; R241-E245 PolarHBondContact O-N 3.46Å; E245-R249 WeakPolarHBondContact O-CB 3.4Å; E245-R249 VanDerWaalsContact O-CG 3.31Å; E245-R249 WeakPolarHBondContact O-CG 3.37Å; E245-R249 PolarHBondContact O-N 3.06Å; E245-R249 VanDerWaalsContact O-N 3.17Å; E245-R249 IonicContact OE1-CZ 3.31Å; E245-R249 IonicContact OE1-NE 3.88Å; E245-R249 IonicContact OE1-NH2 3Å; E245-R249 PolarHBondContact OE1-NH2 3.06Å; E245-R249 IonicContact OE2-NH2 2.66Å; E245-R249 PolarHBondContact OE2-NH2 2.9Å
246	Y	59.1	Low	52.7	Low	137 Å²	137	113.8 Å²	113.8	54%	0.537	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-42.6	174.9	-176.6	-100.4	0	0	0	113	R242 R243 M244 R249 K250	R242-Y246 PolarHBondContact O-N 2.92Å; R242-Y246 VanDerWaalsContact O-N 3.09Å; R243-Y246 WeakPolarHBondContact O-CB 3.33Å; R243-Y246 PolarHBondContact O-N 3.16Å; M244-Y246 PolarHBondContact O-N 2.92Å; Y246-R249 PolarHBondContact O-N 3.25Å; Y246-K250 HydrophobicContact CE1-CD 3.85Å; Y246-K250 HydrophobicContact CE2-CD 4.22Å; Y246-K250 PolarHBondContact O-N 3.46Å; Y246-K250 VanDerWaalsContact OH-CE 3.29Å; Y246-K250 WeakPolarHBondContact OH-CE 3.21Å; Y246-K250 PolarHBondContact OH-NZ 2.69Å
247	A	57.7	Low	51.8	Low	47 Å²	47	107.1 Å²	107.1	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-47	178.6	0	0	0	0	0	112.4	R243 M244 R249 K250 L251	R243-A247 PolarHBondContact O-N 3.37Å; M244-A247 PolarHBondContact O-N 3.25Å; M244-A247 VanDerWaalsContact O-N 3.17Å; A247-R249 PolarHBondContact O-N 3.2Å; A247-K250 PolarHBondContact O-N 3.2Å; A247-K250 VanDerWaalsContact O-N 3.14Å; A247-L251 PolarHBondContact O-N 2.97Å
248	R	57.3	Low	50.8	Low	109 Å²	109	110.1 Å²	110.1	41%	0.411	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-30.5	178.3	-85.8	-165.2	170	-157.1	-0.2	113.5	Q83 W86 M244 K250	Q83-R248 PolarHBondContact O-NH1 3.21Å; Q83-R248 VanDerWaalsContact O-NH1 3.09Å; W86-R248 VanDerWaalsContact CH2-NH1 3.35Å; W86-R248 VanDerWaalsContact CZ3-CD 3.48Å; M244-R248 PolarHBondContact O-N 2.99Å; R248-K250 PolarHBondContact O-N 2.95Å
249	R	57.2	Low	50	Low	142 Å²	142	111 Å²	111	54%	0.536	55%	0.548	S	S	.	.	H	α-helix	trans	-68.7	-18.5	173.2	-75.7	-167.6	-134.7	153.3	-2	113.2	R36 E245 Y246 A247	R36-R249 VanDerWaalsContact NH2-NH2 3.1Å; E245-R249 WeakPolarHBondContact O-CB 3.4Å; E245-R249 VanDerWaalsContact O-CG 3.31Å; E245-R249 WeakPolarHBondContact O-CG 3.37Å; E245-R249 PolarHBondContact O-N 3.06Å; E245-R249 VanDerWaalsContact O-N 3.17Å; E245-R249 IonicContact OE1-CZ 3.31Å; E245-R249 IonicContact OE1-NE 3.88Å; E245-R249 IonicContact OE1-NH2 3Å; E245-R249 PolarHBondContact OE1-NH2 3.06Å; E245-R249 IonicContact OE2-NH2 2.66Å; E245-R249 PolarHBondContact OE2-NH2 2.9Å; Y246-R249 PolarHBondContact O-N 3.25Å; A247-R249 PolarHBondContact O-N 3.2Å
250	K	54.9	Low	48.9	Very low	137 Å²	137	105.8 Å²	105.8	60%	0.596	53%	0.528	S	S	*	.	H	α-helix	trans	-104.6	-12.6	-173.4	-83.6	-163.6	163.3	-168.1	0	116.2	Y246 A247 R248	Y246-K250 HydrophobicContact CE1-CD 3.85Å; Y246-K250 HydrophobicContact CE2-CD 4.22Å; Y246-K250 PolarHBondContact O-N 3.46Å; Y246-K250 VanDerWaalsContact OH-CE 3.29Å; Y246-K250 WeakPolarHBondContact OH-CE 3.21Å; Y246-K250 PolarHBondContact OH-NZ 2.69Å; A247-K250 PolarHBondContact O-N 3.2Å; A247-K250 VanDerWaalsContact O-N 3.14Å; R248-K250 PolarHBondContact O-N 2.95Å
251	L	42.2	Very low	47.7	Very low	131 Å²	131	113.4 Å²	113.4	69%	0.686	55%	0.55	S	S	*	*			trans	-131.9	125.1	-170.8	-75.6	156.8	0	0	0	112.7	A247 F253	A247-L251 PolarHBondContact O-N 2.97Å; L251-F253 PolarHBondContact O-N 3.38Å
252	S	38.3	Very low	46.4	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	58%	0.578	S	S	*	*			trans	-64.5	115.9	157.7	45.8	0	0	0	0	108.3	T254	S252-T254 PolarHBondContact O-N 3.5Å
253	F	38.5	Very low	45.6	Very low	141 Å²	141	112.2 Å²	112.2	62%	0.618	56%	0.56	S	S	*	*			trans	-63.4	101.3	-169.6	-161.5	-97.7	0	0	0	112.1	L251	L251-F253 PolarHBondContact O-N 3.38Å
254	T	37.7	Very low	44.9	Very low	126 Å²	126	105.6 Å²	105.6	77%	0.773	54%	0.539	S	S	*	.			trans	-94.9	99.2	158.9	48	0	0	0	0	107.9	S252 D256	S252-T254 PolarHBondContact O-N 3.5Å; T254-D256 PolarHBondContact O-N 3.28Å; T254-D256 VanDerWaalsContact O-N 3.14Å
255	Q	34.9	Very low	44.5	Very low	173 Å²	173	105.3 Å²	105.3	81%	0.808	55%	0.55	S	S	*	*	S	Bend	trans	20	80.1	139.6	-150	170.7	13.6	0	0	116
256	D	30	Very low	44.1	Very low	149 Å²	149	105.6 Å²	105.6	80%	0.797	55%	0.55	S	S	*	.			trans	167.3	97.3	150.9	-96.1	-17.6	0	0	0	109.9	T254	T254-D256 PolarHBondContact O-N 3.28Å; T254-D256 VanDerWaalsContact O-N 3.14Å
257	T	36	Very low	44.1	Very low	63 Å²	63	99.5 Å²	99.5	39%	0.387	53%	0.527	S	S	.	.			trans	-149.6	89.3	165.1	45	0	0	0	0	110.3	S259 T260	T257-S259 PolarHBondContact O-N 2.9Å; T257-T260 WeakPolarHBondContact CB-OG1 3.16Å; T257-T260 PolarHBondContact O-N 2.91Å; T257-T260 PolarHBondContact O-OG1 3.39Å; T257-T260 PolarHBondContact OG1-OG1 3.46Å
258	S	36.9	Very low	45.1	Very low	108 Å²	108	101.2 Å²	101.2	76%	0.755	53%	0.529	S	S	*	.	H	α-helix	trans	-52.2	-18.4	164	-62.9	0	0	0	0	113
259	S	43	Very low	46.6	Very low	74 Å²	74	96.8 Å²	96.8	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-79.2	-10.7	174.7	63.2	0	0	0	0	115.6	T257	T257-S259 PolarHBondContact O-N 2.9Å
260	T	36.2	Very low	48	Very low	37 Å²	37	93.9 Å²	93.9	23%	0.227	51%	0.505	C	S	.	.	H	α-helix	trans	-75.3	-29.1	169.9	6.7	0	0	0	0	111.5	T257 I263 L264	T257-T260 WeakPolarHBondContact CB-OG1 3.16Å; T257-T260 PolarHBondContact O-N 2.91Å; T257-T260 PolarHBondContact O-OG1 3.39Å; T257-T260 PolarHBondContact OG1-OG1 3.46Å; T260-I263 PolarHBondContact O-N 3.13Å; T260-L264 HydrophobicContact CG2-CD1 4.22Å; T260-L264 WeakPolarHBondContact O-CB 3.43Å; T260-L264 WeakPolarHBondContact O-CD1 3.48Å; T260-L264 WeakPolarHBondContact O-CG 3.43Å; T260-L264 PolarHBondContact O-N 2.98Å
261	Y	35.9	Very low	49.7	Very low	184 Å²	184	91.4 Å²	91.4	72%	0.722	50%	0.495	S	S	*	.	H	α-helix	trans	-65	-38.9	177.8	-81	-82.3	0	0	0	112.1	I263 L264 G265	Y261-I263 VanDerWaalsContact C-N 3.28Å; Y261-I263 PolarHBondContact O-N 3.31Å; Y261-L264 PolarHBondContact O-N 2.95Å; Y261-G265 PolarHBondContact O-N 3.41Å
262	D	37.9	Very low	51.8	Low	128 Å²	128	85.2 Å²	85.2	68%	0.684	46%	0.462	S	S	*	.	H	α-helix	trans	-67	-27.8	-178	-67	-22	0	0	0	113.6
263	I	42.7	Very low	54.2	Low	61 Å²	61	80 Å²	80	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-99.3	-26.5	-178	-55.9	175.5	0	0	0	111.1	W85 M244 T260 Y261 Y266 N267	W85-I263 HydrophobicContact CH2-CG2 3.72Å; W85-I263 HydrophobicContact CZ2-CG2 3.85Å; W85-I263 HydrophobicContact CZ3-CG2 4.3Å; M244-I263 HydrophobicContact CE-CD1 3.49Å; M244-I263 VanDerWaalsContact CE-CD1 3.49Å; M244-I263 HydrophobicContact CE-CG2 4.11Å; M244-I263 HydrophobicContact SD-CD1 3.36Å; M244-I263 WeakPolarHBondContact SD-CD1 3.25Å; M244-I263 HydrophobicContact SD-CG2 4.18Å; T260-I263 PolarHBondContact O-N 3.13Å; Y261-I263 VanDerWaalsContact C-N 3.28Å; Y261-I263 PolarHBondContact O-N 3.31Å; I263-Y266 WeakPolarHBondContact O-CB 3.18Å; I263-N267 PolarHBondContact O-ND2 3.49Å; I263-N267 VanDerWaalsContact O-ND2 3.07Å
264	L	45.3	Very low	56.7	Low	67 Å²	67	74 Å²	74	35%	0.351	40%	0.4	S	S	.	.	H	α-helix	trans	-73.3	-40.8	170.6	-72.4	167.6	0	0	0	111.3	T260 Y261 Y266 N267	T260-L264 HydrophobicContact CG2-CD1 4.22Å; T260-L264 WeakPolarHBondContact O-CB 3.43Å; T260-L264 WeakPolarHBondContact O-CD1 3.48Å; T260-L264 WeakPolarHBondContact O-CG 3.43Å; T260-L264 PolarHBondContact O-N 2.98Å; Y261-L264 PolarHBondContact O-N 2.95Å; L264-Y266 PolarHBondContact O-N 2.95Å; L264-Y266 VanDerWaalsContact O-N 3.16Å; L264-N267 PolarHBondContact O-N 2.85Å
265	G	50.2	Low	59.1	Low	48 Å²	48	68.1 Å²	68.1	50%	0.495	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.1	175.8	0	0	0	0	0	112.7	Y261 N267	Y261-G265 PolarHBondContact O-N 3.41Å; G265-N267 PolarHBondContact O-N 3.46Å
266	Y	54	Low	61.7	Low	47 Å²	47	68.4 Å²	68.4	18%	0.184	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-69.2	-18.8	174.8	-163.1	-102.4	0	0	0	114.6	F171 R226 A227 L228 P229 I263 L264	F171-Y266 AromaticContact CD1-CE2 3.71Å; F171-Y266 HydrophobicContact CD1-CE2 3.71Å; F171-Y266 AromaticContact CD1-CZ 3.75Å; F171-Y266 WeakPolarHBondContact CD1-OH 3.41Å; F171-Y266 HydrophobicContact CD2-CE2 4.3Å; F171-Y266 HydrophobicContact CE1-CD2 4.12Å; F171-Y266 AromaticContact CE1-CE2 3.04Å; F171-Y266 HydrophobicContact CE1-CE2 3.04Å; F171-Y266 AromaticContact CE1-CZ 3.31Å; F171-Y266 WeakPolarHBondContact CE1-OH 3.33Å; F171-Y266 HydrophobicContact CE2-CD2 4.41Å; F171-Y266 AromaticContact CE2-CE2 3.69Å; F171-Y266 HydrophobicContact CE2-CE2 3.69Å; F171-Y266 HydrophobicContact CG-CE2 4.32Å; F171-Y266 AromaticContact CZ-CD2 3.79Å; F171-Y266 HydrophobicContact CZ-CD2 3.79Å; F171-Y266 AromaticContact CZ-CE2 3.05Å; F171-Y266 HydrophobicContact CZ-CE2 3.05Å; F171-Y266 AromaticContact CZ-CZ 3.85Å; R226-Y266 PolarHBondContact NE-O 3.34Å; A227-Y266 HydrophobicContact CB-CE2 4.34Å; L228-Y266 WeakPolarHBondContact CA-OH 3.46Å; L228-Y266 PolarHBondContact O-OH 3.38Å; L228-Y266 VanDerWaalsContact O-OH 3.13Å; P229-Y266 WeakPolarHBondContact CA-OH 3.4Å; P229-Y266 VanDerWaalsContact CD-OH 3.26Å; P229-Y266 WeakPolarHBondContact CD-OH 3.45Å; P229-Y266 HydrophobicContact CG-CE1 3.58Å; I263-Y266 WeakPolarHBondContact O-CB 3.18Å; L264-Y266 PolarHBondContact O-N 2.95Å; L264-Y266 VanDerWaalsContact O-N 3.16Å
267	N	59.7	Low	64.3	Low	9 Å²	9	61.4 Å²	61.4	5%	0.048	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-105.1	-4.5	-170.8	-69	-38.1	0	0	0	114.8	R226 I263 L264 G265	R226-N267 WeakPolarHBondContact CD-O 3.37Å; R226-N267 VanDerWaalsContact CZ-O 3.24Å; R226-N267 VanDerWaalsContact NE-C 3.35Å; R226-N267 PolarHBondContact NE-O 3.47Å; R226-N267 PolarHBondContact NH1-O 3.38Å; R226-N267 PolarHBondContact NH2-OD1 3Å; I263-N267 PolarHBondContact O-ND2 3.49Å; I263-N267 VanDerWaalsContact O-ND2 3.07Å; L264-N267 PolarHBondContact O-N 2.85Å; G265-N267 PolarHBondContact O-N 3.46Å
268	D	78.4	Confident	66.4	Low	82 Å²	82	61.1 Å²	61.1	44%	0.439	32%	0.316	S	S	.	.	S	Bend	trans	-102.8	146	-174.6	-72.2	-19.6	0	0	0	111.7
269	F	89.2	Confident	68.1	Low	16 Å²	16	58 Å²	58	7%	0.07	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-76.9	135.3	170.1	-78.6	-89.9	0	0	0	110.3	S94 K98 I101 S175 F177 L191 Y224 S225 R226	S94-F269 WeakPolarHBondContact O-CE2 3.41Å; K98-F269 HydrophobicContact CB-CE2 4.35Å; I101-F269 HydrophobicContact CD1-CB 3.64Å; I101-F269 HydrophobicContact CD1-CD2 4.39Å; I101-F269 HydrophobicContact CD1-CG 4.37Å; S175-F269 WeakPolarHBondContact O-CE1 3.23Å; F177-F269 AromaticContact CD1-CD1 3.84Å; F177-F269 HydrophobicContact CD1-CD1 3.84Å; F177-F269 AromaticContact CD1-CE1 3.72Å; F177-F269 HydrophobicContact CD1-CE1 3.72Å; F177-F269 HydrophobicContact CD1-CG 4.36Å; F177-F269 HydrophobicContact CD1-CZ 4.17Å; F177-F269 HydrophobicContact CE1-CB 4.25Å; F177-F269 AromaticContact CE1-CD1 3.6Å; F177-F269 HydrophobicContact CE1-CD1 3.6Å; F177-F269 HydrophobicContact CE1-CD2 4.03Å; F177-F269 AromaticContact CE1-CE1 3.9Å; F177-F269 HydrophobicContact CE1-CE1 3.9Å; F177-F269 HydrophobicContact CE1-CE2 4.32Å; F177-F269 AromaticContact CE1-CG 3.69Å; F177-F269 HydrophobicContact CE1-CG 3.69Å; F177-F269 HydrophobicContact CE1-CZ 4.28Å; L191-F269 HydrophobicContact CD1-CE1 3.7Å; L191-F269 HydrophobicContact CD1-CE2 4.26Å; L191-F269 HydrophobicContact CD1-CZ 3.28Å; L191-F269 HydrophobicContact CD2-CZ 4.43Å; L191-F269 HydrophobicContact CG-CZ 4.44Å; Y224-F269 HydrophobicContact CD1-CB 4.06Å; S225-F269 WeakPolarHBondContact O-CA 3.5Å; R226-F269 HydrophobicContact CB-CD1 3.65Å; R226-F269 HydrophobicContact CB-CD2 4.36Å; R226-F269 HydrophobicContact CB-CE1 3.68Å; R226-F269 HydrophobicContact CB-CE2 4.36Å; R226-F269 HydrophobicContact CB-CG 3.98Å; R226-F269 HydrophobicContact CB-CZ 4.02Å
270	E	87.2	Confident	69.7	Low	82 Å²	82	60.2 Å²	60.2	38%	0.383	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.6	172.8	-60.1	-173	158.8	0	0	109.9	Y224 S225 I272 N298 L301	Y224-E270 CarbonylContact C-O 3.11Å; Y224-E270 VanDerWaalsContact CA-O 3.28Å; Y224-E270 WeakPolarHBondContact CA-O 3.36Å; S225-E270 PolarHBondContact N-O 2.81Å; S225-E270 PolarHBondContact O-N 2.81Å; E270-I272 HydrophobicContact CB-CD1 4.41Å; E270-I272 PolarHBondContact O-N 3.49Å; E270-N298 PolarHBondContact OE2-ND2 3.35Å; E270-L301 HydrophobicContact CB-CD1 3.9Å; E270-L301 HydrophobicContact CG-CD1 4.08Å; E270-L301 WeakPolarHBondContact OE2-CD1 3.02Å
271	K	89.4	Confident	71.7	Confident	85 Å²	85	62.8 Å²	62.8	37%	0.37	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.8	171.3	-69.1	177.4	-178	174.2	0	108.5	I222 Y224	I222-K271 HydrophobicContact CG2-CD 4.33Å; I222-K271 HydrophobicContact CG2-CG 4.07Å; Y224-K271 HydrophobicContact CD1-CG 3.87Å; Y224-K271 HydrophobicContact CE1-CB 4.4Å; Y224-K271 HydrophobicContact CE1-CD 4.24Å; Y224-K271 HydrophobicContact CE1-CG 3.26Å; Y224-K271 WeakPolarHBondContact OH-CE 3.33Å
272	I	87.5	Confident	73.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-47.5	179.6	-53.5	-49.1	0	0	0	110.4	I223 E270 A296 Y297 N298 L301 P303	I223-I272 HydrophobicContact CG2-CB 4.48Å; I223-I272 PolarHBondContact O-N 3.06Å; E270-I272 HydrophobicContact CB-CD1 4.41Å; E270-I272 PolarHBondContact O-N 3.49Å; I272-A296 CarbonylContact O-C 3.47Å; I272-A296 VanDerWaalsContact O-CA 3.24Å; I272-A296 WeakPolarHBondContact O-CA 3.32Å; I272-Y297 PolarHBondContact O-N 2.71Å; I272-N298 HydrophobicContact CD1-CB 4.33Å; I272-L301 HydrophobicContact CD1-CB 3.49Å; I272-L301 VanDerWaalsContact CD1-CB 3.49Å; I272-L301 HydrophobicContact CD1-CD1 4.03Å; I272-L301 HydrophobicContact CD1-CG 4.4Å; I272-P303 WeakPolarHBondContact CG2-O 3.18Å
273	A	87.9	Confident	75.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.6	-180	0	0	0	0	0	111.7	I222 I223 F275 L292 N295	I222-A273 WeakPolarHBondContact CA-O 3.09Å; I223-A273 HydrophobicContact CD1-CB 4.46Å; I223-A273 PolarHBondContact N-O 3.15Å; A273-F275 HydrophobicContact CB-CD2 4.41Å; A273-F275 HydrophobicContact CB-CE2 3.58Å; A273-F275 HydrophobicContact CB-CZ 3.93Å; A273-L292 HydrophobicContact CB-CD2 3.55Å; A273-N295 VanDerWaalsContact CA-O 3.29Å; A273-N295 WeakPolarHBondContact CA-O 3.45Å
274	V	89.9	Confident	76.1	Confident	14 Å²	14	59.3 Å²	59.3	9%	0.085	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.7	172.8	-178.4	0	0	0	0	108.5	R220 L221 I222 N295 Y297	R220-V274 HydrophobicContact CG-CG1 3.93Å; L221-V274 CarbonylContact O-C 3.3Å; L221-V274 WeakPolarHBondContact O-CA 3.24Å; I222-V274 HydrophobicContact CG1-CG1 4.22Å; I222-V274 HydrophobicContact CG1-CG2 4.28Å; I222-V274 HydrophobicContact CG2-CG2 4.17Å; V274-N295 PolarHBondContact N-O 3.25Å; V274-N295 PolarHBondContact O-OD1 2.94Å; V274-Y297 HydrophobicContact CB-CD2 4.48Å; V274-Y297 HydrophobicContact CB-CE2 3.58Å; V274-Y297 HydrophobicContact CG2-CD2 4.11Å; V274-Y297 HydrophobicContact CG2-CE2 3.56Å
275	F	89.4	Confident	77	Confident	4 Å²	4	65 Å²	65	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.8	177.4	-54.9	-89.8	0	0	0	110.3	R220 L221 I223 A273 L290 D291 L292 N295 V308	R220-F275 CarbonylContact C-O 3.53Å; R220-F275 VanDerWaalsContact CA-O 3.24Å; R220-F275 WeakPolarHBondContact CA-O 3.42Å; R220-F275 VanDerWaalsContact CG-O 3.25Å; R220-F275 WeakPolarHBondContact CG-O 3.49Å; L221-F275 HydrophobicContact CB-CB 4.31Å; L221-F275 HydrophobicContact CB-CD2 4.38Å; L221-F275 HydrophobicContact CD2-CD2 3.96Å; L221-F275 HydrophobicContact CD2-CE2 4.46Å; L221-F275 HydrophobicContact CG-CD2 4.01Å; L221-F275 PolarHBondContact N-O 2.64Å; L221-F275 PolarHBondContact O-N 3.26Å; I223-F275 HydrophobicContact CD1-CE2 3.85Å; A273-F275 HydrophobicContact CB-CD2 4.41Å; A273-F275 HydrophobicContact CB-CE2 3.58Å; A273-F275 HydrophobicContact CB-CZ 3.93Å; F275-L290 HydrophobicContact CB-CD1 3.69Å; F275-L290 HydrophobicContact CD1-CB 3.55Å; F275-L290 HydrophobicContact CD1-CD1 3.92Å; F275-L290 HydrophobicContact CD1-CG 4.23Å; F275-L290 HydrophobicContact CD2-CD1 4.28Å; F275-L290 HydrophobicContact CE1-CB 3.56Å; F275-L290 HydrophobicContact CG-CB 4.17Å; F275-L290 HydrophobicContact CG-CD1 3.71Å; F275-L290 HydrophobicContact CZ-CB 4.23Å; F275-D291 WeakPolarHBondContact CE1-O 3.46Å; F275-L292 HydrophobicContact CE2-CD2 4.01Å; F275-L292 HydrophobicContact CZ-CD2 3.62Å; F275-L292 HydrophobicContact CZ-CG 3.98Å; F275-N295 HydrophobicContact CD1-CB 3.8Å; F275-N295 HydrophobicContact CE1-CB 3.54Å; F275-N295 WeakPolarHBondContact CE1-ND2 3.03Å; F275-N295 HydrophobicContact CZ-CB 4.05Å; F275-V308 HydrophobicContact CE2-CG2 3.96Å; F275-V308 HydrophobicContact CZ-CG2 3.98Å
276	R	89.2	Confident	77.8	Confident	179 Å²	179	63 Å²	63	68%	0.675	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	130	165.1	-72.9	178.1	169.7	155.9	-5.7	107.6	M219 R220 Q281	M219-R276 WeakPolarHBondContact O-CA 3.29Å; R220-R276 HydrophobicContact CG-CG 4.27Å; R276-Q281 PolarHBondContact O-OE1 2.9Å
277	F	84.7	Confident	78.8	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.1	178.6	66.8	-87.1	0	0	0	110.6	F180 M219 L221 Q281 L290 F310	F180-F277 HydrophobicContact CD1-CZ 4.43Å; F180-F277 HydrophobicContact CE1-CE1 4.39Å; F180-F277 HydrophobicContact CE1-CZ 4.28Å; M219-F277 HydrophobicContact CB-CD1 4.31Å; M219-F277 HydrophobicContact CB-CD2 4.25Å; M219-F277 HydrophobicContact CB-CE1 3.87Å; M219-F277 HydrophobicContact CB-CE2 3.81Å; M219-F277 HydrophobicContact CB-CG 4.49Å; M219-F277 HydrophobicContact CB-CZ 3.63Å; M219-F277 HydrophobicContact CG-CE1 3.81Å; M219-F277 HydrophobicContact CG-CE2 4.19Å; M219-F277 HydrophobicContact CG-CZ 3.55Å; M219-F277 PolarHBondContact N-O 2.78Å; M219-F277 PolarHBondContact O-N 2.84Å; M219-F277 HydrophobicContact SD-CE1 4.09Å; M219-F277 HydrophobicContact SD-CE2 3.9Å; M219-F277 HydrophobicContact SD-CZ 3.29Å; M219-F277 WeakPolarHBondContact SD-CZ 3.12Å; L221-F277 HydrophobicContact CB-CE1 4.08Å; F277-Q281 HydrophobicContact CB-CB 4.34Å; F277-L290 HydrophobicContact CB-CD2 4.34Å; F277-L290 HydrophobicContact CD1-CD1 4.19Å; F277-F310 HydrophobicContact CD1-CZ 4.02Å; F277-F310 HydrophobicContact CD2-CE2 4.4Å; F277-F310 HydrophobicContact CD2-CZ 4.11Å; F277-F310 HydrophobicContact CE1-CE1 4.26Å; F277-F310 HydrophobicContact CE1-CE2 4.32Å; F277-F310 AromaticContact CE1-CZ 3.52Å; F277-F310 HydrophobicContact CE1-CZ 3.52Å; F277-F310 AromaticContact CE2-CE2 3.68Å; F277-F310 HydrophobicContact CE2-CE2 3.68Å; F277-F310 AromaticContact CE2-CZ 3.62Å; F277-F310 HydrophobicContact CE2-CZ 3.62Å; F277-F310 HydrophobicContact CG-CZ 4.28Å; F277-F310 HydrophobicContact CZ-CE1 4.32Å; F277-F310 AromaticContact CZ-CE2 3.61Å; F277-F310 HydrophobicContact CZ-CE2 3.61Å; F277-F310 AromaticContact CZ-CZ 3.27Å; F277-F310 HydrophobicContact CZ-CZ 3.27Å
278	D	80.7	Confident	79.7	Confident	57 Å²	57	65.3 Å²	65.3	31%	0.305	30%	0.297	S	S	.	.			trans	-131.4	-169.5	179.1	53	34.2	0	0	0	109	F217 D280 Q281	F217-D278 WeakPolarHBondContact O-CB 3.38Å; D278-D280 PolarHBondContact O-N 2.8Å; D278-D280 WeakPolarHBondContact OD1-CB 3.45Å; D278-D280 PolarHBondContact OD1-N 2.91Å; D278-Q281 PolarHBondContact O-N 3.49Å
279	V	72.3	Confident	80	Confident	42 Å²	42	66.9 Å²	66.9	26%	0.255	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-62.3	-28.6	179.4	69.2	0	0	0	0	113.1	F217 Q281 V282	F217-V279 HydrophobicContact CE1-CB 3.88Å; F217-V279 HydrophobicContact CE1-CG2 4.38Å; F217-V279 HydrophobicContact CZ-CB 4.14Å; V279-Q281 VanDerWaalsContact C-N 3.26Å; V279-Q281 PolarHBondContact O-N 2.82Å; V279-V282 WeakPolarHBondContact O-CB 3.49Å; V279-V282 PolarHBondContact O-N 2.78Å
280	D	75.7	Confident	79.7	Confident	122 Å²	122	66.7 Å²	66.7	65%	0.652	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-74.1	-20.9	-174.4	-65.4	-27.7	0	0	0	112.1	D278 V282	D278-D280 PolarHBondContact O-N 2.8Å; D278-D280 WeakPolarHBondContact OD1-CB 3.45Å; D278-D280 PolarHBondContact OD1-N 2.91Å; D280-V282 VanDerWaalsContact C-N 3.3Å
281	Q	77.8	Confident	79.6	Confident	91 Å²	91	64.9 Å²	64.9	43%	0.425	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-85.9	0.2	175.9	-62.9	-174.3	-10.1	0	0	113.8	R276 F277 D278 V279	R276-Q281 PolarHBondContact O-OE1 2.9Å; F277-Q281 HydrophobicContact CB-CB 4.34Å; D278-Q281 PolarHBondContact O-N 3.49Å; V279-Q281 VanDerWaalsContact C-N 3.26Å; V279-Q281 PolarHBondContact O-N 2.82Å
282	V	74.7	Confident	79.2	Confident	28 Å²	28	60.9 Å²	60.9	17%	0.17	28%	0.279	C	S	.	.	S	Bend	trans	-93.4	116.6	179.9	-172.1	0	0	0	0	109	V279 D280 V288 L312	V279-V282 WeakPolarHBondContact O-CB 3.49Å; V279-V282 PolarHBondContact O-N 2.78Å; D280-V282 VanDerWaalsContact C-N 3.3Å; V282-V288 HydrophobicContact CB-CG2 4.32Å; V282-V288 HydrophobicContact CG1-CG2 4.35Å; V282-V288 HydrophobicContact CG2-CG2 3.85Å; V282-L312 HydrophobicContact CG1-CB 4.35Å; V282-L312 HydrophobicContact CG1-CD2 4.36Å; V282-L312 HydrophobicContact CG2-CD2 3.51Å
283	D	70.9	Confident	78.5	Confident	90 Å²	90	64.1 Å²	64.1	48%	0.481	30%	0.297	S	S	.	.			trans	-62.7	161.6	174	-179.6	32.7	0	0	0	111.1	R285 G286 F287	D283-R285 PolarHBondContact O-N 3.33Å; D283-G286 WeakPolarHBondContact O-CA 3.3Å; D283-G286 PolarHBondContact O-N 3.43Å; D283-F287 WeakPolarHBondContact CB-O 3.26Å; D283-F287 PolarHBondContact N-O 3.35Å
284	R	63.7	Low	77.7	Confident	182 Å²	182	71.8 Å²	71.8	69%	0.687	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-11.5	177.9	-60.9	-175.1	-175.2	178.2	-0.5	114.8	Y420	R284-Y420 CarbonylContact O-C 3.57Å
285	R	63.5	Low	76.9	Confident	187 Å²	187	73.5 Å²	73.5	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	1.8	174.8	-70.8	-177.5	177.1	-169.9	0.2	112.7	D283 F287 H311	D283-R285 PolarHBondContact O-N 3.33Å; R285-F287 HydrophobicContact CB-CD2 3.69Å; R285-F287 HydrophobicContact CB-CE2 4.07Å; R285-H311 PolarHBondContact O-CD2 2.89Å; R285-H311 PolarHBondContact O-NE2 2.9Å
286	G	67.8	Low	76	Confident	5 Å²	5	74 Å²	74	5%	0.052	35%	0.346	C	S	.	.	S	Bend	trans	82.9	6.6	-172.3	0	0	0	0	0	114	D283 H311 L312	D283-G286 WeakPolarHBondContact O-CA 3.3Å; D283-G286 PolarHBondContact O-N 3.43Å; G286-H311 CarbonylContact O-C 3.54Å; G286-H311 WeakPolarHBondContact O-CA 3.35Å; G286-H311 PolarHBondContact O-CD2 3.34Å; G286-L312 WeakPolarHBondContact CA-O 3.39Å; G286-L312 PolarHBondContact O-N 3.05Å
287	F	74.5	Confident	75	Confident	104 Å²	104	73 Å²	73	46%	0.456	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.1	179.5	-73.3	-77.8	0	0	0	111.2	D283 R285 H311	D283-F287 WeakPolarHBondContact CB-O 3.26Å; D283-F287 PolarHBondContact N-O 3.35Å; R285-F287 HydrophobicContact CB-CD2 3.69Å; R285-F287 HydrophobicContact CB-CE2 4.07Å; F287-H311 AromaticContact CD1-CD2 3.97Å; F287-H311 HydrophobicContact CE1-CB 4.47Å; F287-H311 AromaticContact CE1-CD2 3.9Å; F287-H311 AromaticContact CZ-CD2 3.94Å
288	V	78.6	Confident	74.1	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.2	171.7	-174.4	0	0	0	0	107.9	V282 L290 T309 F310 L312	V282-V288 HydrophobicContact CB-CG2 4.32Å; V282-V288 HydrophobicContact CG1-CG2 4.35Å; V282-V288 HydrophobicContact CG2-CG2 3.85Å; V288-L290 HydrophobicContact CG1-CD1 4.4Å; V288-L290 HydrophobicContact CG1-CD2 3.77Å; V288-L290 HydrophobicContact CG1-CG 3.9Å; V288-T309 WeakPolarHBondContact O-CA 3.25Å; V288-F310 HydrophobicContact CB-CD2 3.8Å; V288-F310 HydrophobicContact CB-CE1 4.2Å; V288-F310 HydrophobicContact CB-CE2 3.4Å; V288-F310 VanDerWaalsContact CB-CE2 3.4Å; V288-F310 HydrophobicContact CB-CG 4.4Å; V288-F310 HydrophobicContact CB-CZ 3.6Å; V288-F310 HydrophobicContact CG1-CE1 4.1Å; V288-F310 HydrophobicContact CG1-CE2 3.85Å; V288-F310 HydrophobicContact CG1-CZ 3.52Å; V288-F310 HydrophobicContact CG2-CD2 4Å; V288-F310 HydrophobicContact CG2-CE2 3.47Å; V288-F310 VanDerWaalsContact CG2-CE2 3.47Å; V288-F310 HydrophobicContact CG2-CZ 4.05Å; V288-F310 PolarHBondContact N-O 2.92Å; V288-F310 PolarHBondContact O-N 2.64Å; V288-L312 HydrophobicContact CG2-CB 4.25Å
289	I	84.6	Confident	73.4	Confident	114 Å²	114	77.3 Å²	77.3	59%	0.585	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.7	178.6	-56.4	178.9	0	0	0	107.2	H307 T309	I289-H307 HydrophobicContact CG2-CB 4.04Å; I289-T309 HydrophobicContact CB-CG2 4.46Å; I289-T309 HydrophobicContact CG1-CG2 4.05Å; I289-T309 HydrophobicContact CG2-CG2 4.17Å
290	L	84.6	Confident	73.3	Confident	13 Å²	13	80 Å²	80	7%	0.068	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.5	-177.5	-54.3	173.6	0	0	0	109.9	L221 F275 F277 V288 L292 H307 V308 F310	L221-L290 HydrophobicContact CD2-CD1 4.18Å; F275-L290 HydrophobicContact CB-CD1 3.69Å; F275-L290 HydrophobicContact CD1-CB 3.55Å; F275-L290 HydrophobicContact CD1-CD1 3.92Å; F275-L290 HydrophobicContact CD1-CG 4.23Å; F275-L290 HydrophobicContact CD2-CD1 4.28Å; F275-L290 HydrophobicContact CE1-CB 3.56Å; F275-L290 HydrophobicContact CG-CB 4.17Å; F275-L290 HydrophobicContact CG-CD1 3.71Å; F275-L290 HydrophobicContact CZ-CB 4.23Å; F277-L290 HydrophobicContact CB-CD2 4.34Å; F277-L290 HydrophobicContact CD1-CD1 4.19Å; V288-L290 HydrophobicContact CG1-CD1 4.4Å; V288-L290 HydrophobicContact CG1-CD2 3.77Å; V288-L290 HydrophobicContact CG1-CG 3.9Å; L290-L292 PolarHBondContact O-N 3Å; L290-H307 CarbonylContact O-C 3.6Å; L290-H307 WeakPolarHBondContact O-CA 3.45Å; L290-V308 HydrophobicContact CB-CB 4.48Å; L290-V308 PolarHBondContact N-O 2.82Å; L290-V308 PolarHBondContact O-N 3.28Å; L290-F310 HydrophobicContact CD1-CE1 3.64Å; L290-F310 HydrophobicContact CD1-CZ 4.08Å; L290-F310 HydrophobicContact CG-CE1 4.35Å
291	D	83.7	Confident	73.2	Confident	44 Å²	44	74.8 Å²	74.8	24%	0.235	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.6	-178.1	-166.5	-23.8	0	0	0	111.5	F275 N293 E294 N295	F275-D291 WeakPolarHBondContact CE1-O 3.46Å; D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact O-N 3.2Å; D291-N293 WeakPolarHBondContact OD1-CA 3.49Å; D291-N293 WeakPolarHBondContact OD1-CB 3.34Å; D291-N293 PolarHBondContact OD1-N 2.93Å; D291-N293 PolarHBondContact OD1-ND2 2.82Å; D291-E294 HydrophobicContact CB-CG 4.37Å; D291-N295 PolarHBondContact O-ND2 3Å
292	L	81	Confident	72.9	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-30.9	176.5	-84.1	164.5	0	0	0	112.4	I155 I223 A273 F275 L290 E294 N295 A296 P303 F305 G306 V308	I155-L292 HydrophobicContact CG2-CD1 3.59Å; I223-L292 HydrophobicContact CD1-CD2 4Å; A273-L292 HydrophobicContact CB-CD2 3.55Å; F275-L292 HydrophobicContact CE2-CD2 4.01Å; F275-L292 HydrophobicContact CZ-CD2 3.62Å; F275-L292 HydrophobicContact CZ-CG 3.98Å; L290-L292 PolarHBondContact O-N 3Å; L292-E294 PolarHBondContact O-N 2.9Å; L292-N295 PolarHBondContact O-N 3.29Å; L292-A296 VanDerWaalsContact O-CB 3.24Å; L292-A296 WeakPolarHBondContact O-CB 3.09Å; L292-A296 PolarHBondContact O-N 2.93Å; L292-P303 HydrophobicContact CD1-CB 4.31Å; L292-F305 WeakPolarHBondContact CD1-O 3.38Å; L292-G306 WeakPolarHBondContact CB-O 3.45Å; L292-G306 PolarHBondContact N-O 2.84Å; L292-V308 HydrophobicContact CD1-CG2 3.81Å; L292-V308 HydrophobicContact CD2-CG2 3.81Å; L292-V308 HydrophobicContact CG-CG2 3.66Å
293	N	73.7	Confident	72.8	Confident	69 Å²	69	69.4 Å²	69.4	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-34.3	-175.3	-53	-52.2	0	0	0	111.3	D291 F305 G306	D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact O-N 3.2Å; D291-N293 WeakPolarHBondContact OD1-CA 3.49Å; D291-N293 WeakPolarHBondContact OD1-CB 3.34Å; D291-N293 PolarHBondContact OD1-N 2.93Å; D291-N293 PolarHBondContact OD1-ND2 2.82Å; N293-F305 WeakPolarHBondContact OD1-CA 3.24Å; N293-F305 VanDerWaalsContact OD1-CB 3.3Å; N293-F305 WeakPolarHBondContact OD1-CB 3.37Å; N293-G306 PolarHBondContact OD1-N 3.34Å; N293-G306 VanDerWaalsContact OD1-N 3.12Å
294	E	71.4	Confident	72.8	Confident	160 Å²	160	66.3 Å²	66.3	75%	0.748	31%	0.305	S	S	*	.	H	α-helix	trans	-84.3	-21.8	-178.7	-60.5	-173.7	162.9	0	0	113.1	D291 L292	D291-E294 HydrophobicContact CB-CG 4.37Å; L292-E294 PolarHBondContact O-N 2.9Å
295	N	71.7	Confident	73.2	Confident	51 Å²	51	58.9 Å²	58.9	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-116.1	3.1	-170.2	-67.6	-77.5	0	0	0	113.9	A273 V274 F275 D291 L292 Y297	A273-N295 VanDerWaalsContact CA-O 3.29Å; A273-N295 WeakPolarHBondContact CA-O 3.45Å; V274-N295 PolarHBondContact N-O 3.25Å; V274-N295 PolarHBondContact O-OD1 2.94Å; F275-N295 HydrophobicContact CD1-CB 3.8Å; F275-N295 HydrophobicContact CE1-CB 3.54Å; F275-N295 WeakPolarHBondContact CE1-ND2 3.03Å; F275-N295 HydrophobicContact CZ-CB 4.05Å; D291-N295 PolarHBondContact O-ND2 3Å; L292-N295 PolarHBondContact O-N 3.29Å; N295-Y297 WeakPolarHBondContact O-CD2 3.34Å; N295-Y297 WeakPolarHBondContact O-CE2 3.37Å; N295-Y297 PolarHBondContact O-N 2.65Å
296	A	70.4	Confident	73.7	Confident	14 Å²	14	50.5 Å²	50.5	12%	0.116	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-75.9	117.5	178.7	0	0	0	0	0	111.3	I272 L292	I272-A296 CarbonylContact O-C 3.47Å; I272-A296 VanDerWaalsContact O-CA 3.24Å; I272-A296 WeakPolarHBondContact O-CA 3.32Å; L292-A296 VanDerWaalsContact O-CB 3.24Å; L292-A296 WeakPolarHBondContact O-CB 3.09Å; L292-A296 PolarHBondContact O-N 2.93Å
297	Y	68.9	Low	74.4	Confident	159 Å²	159	54.1 Å²	54.1	62%	0.624	27%	0.265	S	S	*	.	S	Bend	trans	-83.9	-26.1	174.6	-68.9	-88.3	0	0	0	112.6	I272 V274 N295	I272-Y297 PolarHBondContact O-N 2.71Å; V274-Y297 HydrophobicContact CB-CD2 4.48Å; V274-Y297 HydrophobicContact CB-CE2 3.58Å; V274-Y297 HydrophobicContact CG2-CD2 4.11Å; V274-Y297 HydrophobicContact CG2-CE2 3.56Å; N295-Y297 WeakPolarHBondContact O-CD2 3.34Å; N295-Y297 WeakPolarHBondContact O-CE2 3.37Å; N295-Y297 PolarHBondContact O-N 2.65Å
298	N	66.8	Low	74.8	Confident	31 Å²	31	49.2 Å²	49.2	17%	0.166	24%	0.243	C	C	.	.			trans	-136.5	105.2	-173.4	-167	-18.3	0	0	0	110.8	E270 I272 N300	E270-N298 PolarHBondContact OE2-ND2 3.35Å; I272-N298 HydrophobicContact CD1-CB 4.33Å; N298-N300 PolarHBondContact O-N 3.25Å; N298-N300 VanDerWaalsContact OD1-CB 3.29Å; N298-N300 WeakPolarHBondContact OD1-CB 3.28Å; N298-N300 PolarHBondContact OD1-N 3.23Å
299	H	66.3	Low	75	Confident	117 Å²	117	51.1 Å²	51.1	54%	0.542	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.9	-179.5	-52.9	-63.1	0	0	0	113.2	N304	H299-N304 PolarHBondContact O-ND2 3.48Å
300	N	68.7	Low	74.8	Confident	97 Å²	97	45.8 Å²	45.8	52%	0.519	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.1	-177.4	-61	-35.1	0	0	0	113.8	F165 N298	F165-N300 WeakPolarHBondContact CE1-O 3.39Å; F165-N300 WeakPolarHBondContact CZ-O 3.45Å; N298-N300 PolarHBondContact O-N 3.25Å; N298-N300 VanDerWaalsContact OD1-CB 3.29Å; N298-N300 WeakPolarHBondContact OD1-CB 3.28Å; N298-N300 PolarHBondContact OD1-N 3.23Å
301	L	73.5	Confident	74.3	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	23%	0.23	C	C	.	.	S	Bend	trans	-134.8	135.3	-179.2	-73.1	174.4	0	0	0	110.7	F174 A227 E270 I272 N304	F174-L301 HydrophobicContact CD1-CD2 4.09Å; F174-L301 HydrophobicContact CE1-CD2 4.13Å; A227-L301 HydrophobicContact CB-CD2 3.82Å; E270-L301 HydrophobicContact CB-CD1 3.9Å; E270-L301 HydrophobicContact CG-CD1 4.08Å; E270-L301 WeakPolarHBondContact OE2-CD1 3.02Å; I272-L301 HydrophobicContact CD1-CB 3.49Å; I272-L301 VanDerWaalsContact CD1-CB 3.49Å; I272-L301 HydrophobicContact CD1-CD1 4.03Å; I272-L301 HydrophobicContact CD1-CG 4.4Å; L301-N304 WeakPolarHBondContact O-CB 3.34Å
302	P	72	Confident	73.8	Confident	7 Å²	7	44.5 Å²	44.5	5%	0.045	22%	0.22	C	C	.	.	S	Bend	trans	-73.4	158	173.7	31.6	-34.6	0	0	0	111.5	F174 S225	F174-P302 HydrophobicContact CB-CG 4.33Å; F174-P302 HydrophobicContact CD1-CG 3.75Å; F174-P302 HydrophobicContact CD2-CG 3.55Å; F174-P302 HydrophobicContact CE1-CG 3.91Å; F174-P302 HydrophobicContact CE2-CG 3.71Å; F174-P302 HydrophobicContact CG-CG 3.59Å; F174-P302 HydrophobicContact CZ-CG 3.89Å; S225-P302 WeakPolarHBondContact CB-O 3.25Å; S225-P302 PolarHBondContact OG-O 3.24Å
303	P	73.5	Confident	73.1	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	S	Bend	cis	-81.8	118.6	-6.7	31.2	-31.3	0	0	0	111.4	I155 L157 I223 I272 L292	I155-P303 HydrophobicContact CD1-CG 4.2Å; I155-P303 HydrophobicContact CG2-CB 3.59Å; I155-P303 HydrophobicContact CG2-CG 3.71Å; L157-P303 HydrophobicContact CD2-CB 3.93Å; I223-P303 HydrophobicContact CG2-CG 4.2Å; I272-P303 WeakPolarHBondContact CG2-O 3.18Å; L292-P303 HydrophobicContact CD1-CB 4.31Å
304	N	70.1	Confident	72.6	Confident	25 Å²	25	46 Å²	46	13%	0.134	22%	0.222	C	C	.	.			trans	-117.2	5.5	-172.3	58.7	-13.8	0	0	0	114.4	H299 L301	H299-N304 PolarHBondContact O-ND2 3.48Å; L301-N304 WeakPolarHBondContact O-CB 3.34Å
305	F	71.8	Confident	71.8	Confident	25 Å²	25	40 Å²	40	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-147.5	167.3	175.6	64.4	-88.7	0	0	0	109.5	V158 L292 N293	V158-F305 VanDerWaalsContact CA-CE2 3.41Å; V158-F305 HydrophobicContact CB-CD2 4.16Å; V158-F305 HydrophobicContact CB-CE2 3.52Å; V158-F305 HydrophobicContact CB-CZ 4.38Å; V158-F305 VanDerWaalsContact O-CE1 3.23Å; V158-F305 WeakPolarHBondContact O-CE1 3.47Å; V158-F305 WeakPolarHBondContact O-CE2 3.36Å; V158-F305 WeakPolarHBondContact O-CZ 3.42Å; L292-F305 WeakPolarHBondContact CD1-O 3.38Å; N293-F305 WeakPolarHBondContact OD1-CA 3.24Å; N293-F305 VanDerWaalsContact OD1-CB 3.3Å; N293-F305 WeakPolarHBondContact OD1-CB 3.37Å
306	G	75	Confident	70.9	Confident	12 Å²	12	39.3 Å²	39.3	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	92.1	-139.5	175.4	0	0	0	0	0	111.8	L292 N293	L292-G306 WeakPolarHBondContact CB-O 3.45Å; L292-G306 PolarHBondContact N-O 2.84Å; N293-G306 PolarHBondContact OD1-N 3.34Å; N293-G306 VanDerWaalsContact OD1-N 3.12Å
307	H	80.7	Confident	69.9	Low	81 Å²	81	41.5 Å²	41.5	38%	0.375	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152	-174.3	-54.4	82.8	0	0	0	110.6	P156 I289 L290 T309	P156-H307 WeakPolarHBondContact CD-O 3.32Å; I289-H307 HydrophobicContact CG2-CB 4.04Å; L290-H307 CarbonylContact O-C 3.6Å; L290-H307 WeakPolarHBondContact O-CA 3.45Å; H307-T309 HydrophobicContact CB-CG2 4.38Å
308	V	83.1	Confident	68.8	Low	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.2	163.8	178.2	0	0	0	0	106.6	I153 I155 L221 I223 F275 L290 L292 F310	I153-V308 HydrophobicContact CG2-CG1 3.89Å; I155-V308 HydrophobicContact CD1-CG2 4.31Å; I155-V308 HydrophobicContact CG1-CB 4.46Å; I155-V308 HydrophobicContact CG1-CG1 4.12Å; I155-V308 HydrophobicContact CG1-CG2 3.99Å; I155-V308 HydrophobicContact CG2-CG2 4.21Å; L221-V308 HydrophobicContact CD2-CG1 3.77Å; I223-V308 HydrophobicContact CD1-CG2 3.37Å; F275-V308 HydrophobicContact CE2-CG2 3.96Å; F275-V308 HydrophobicContact CZ-CG2 3.98Å; L290-V308 HydrophobicContact CB-CB 4.48Å; L290-V308 PolarHBondContact N-O 2.82Å; L290-V308 PolarHBondContact O-N 3.28Å; L292-V308 HydrophobicContact CD1-CG2 3.81Å; L292-V308 HydrophobicContact CD2-CG2 3.81Å; L292-V308 HydrophobicContact CG-CG2 3.66Å; V308-F310 HydrophobicContact CG1-CD1 4.22Å
309	T	83.9	Confident	68	Low	41 Å²	41	40 Å²	40	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.5	178	64.2	0	0	0	0	109.9	I153 R154 V288 I289 H307	I153-T309 WeakPolarHBondContact CA-O 3.26Å; R154-T309 PolarHBondContact N-O 3.31Å; R154-T309 PolarHBondContact O-N 2.86Å; R154-T309 PolarHBondContact O-OG1 2.99Å; V288-T309 WeakPolarHBondContact O-CA 3.25Å; I289-T309 HydrophobicContact CB-CG2 4.46Å; I289-T309 HydrophobicContact CG1-CG2 4.05Å; I289-T309 HydrophobicContact CG2-CG2 4.17Å; H307-T309 HydrophobicContact CB-CG2 4.38Å
310	F	79.6	Confident	67.4	Low	3 Å²	3	40.3 Å²	40.3	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.1	168.2	53.9	-96.2	0	0	0	112.7	L151 V152 I153 L221 F277 V288 L290 V308	L151-F310 HydrophobicContact CD2-CB 4.12Å; L151-F310 HydrophobicContact CD2-CD1 4.47Å; L151-F310 HydrophobicContact CD2-CD2 3.09Å; L151-F310 HydrophobicContact CD2-CE2 3.45Å; L151-F310 VanDerWaalsContact CD2-CE2 3.45Å; L151-F310 HydrophobicContact CD2-CG 3.66Å; L151-F310 HydrophobicContact CD2-CZ 4.32Å; V152-F310 WeakPolarHBondContact O-CA 3.4Å; V152-F310 VanDerWaalsContact O-CB 3.24Å; V152-F310 WeakPolarHBondContact O-CB 3.49Å; I153-F310 HydrophobicContact CB-CB 4.43Å; I153-F310 HydrophobicContact CG1-CB 3.87Å; I153-F310 HydrophobicContact CG1-CG 4.46Å; L221-F310 HydrophobicContact CD2-CE1 4.04Å; F277-F310 HydrophobicContact CD1-CZ 4.02Å; F277-F310 HydrophobicContact CD2-CE2 4.4Å; F277-F310 HydrophobicContact CD2-CZ 4.11Å; F277-F310 HydrophobicContact CE1-CE1 4.26Å; F277-F310 HydrophobicContact CE1-CE2 4.32Å; F277-F310 AromaticContact CE1-CZ 3.52Å; F277-F310 HydrophobicContact CE1-CZ 3.52Å; F277-F310 AromaticContact CE2-CE2 3.68Å; F277-F310 HydrophobicContact CE2-CE2 3.68Å; F277-F310 AromaticContact CE2-CZ 3.62Å; F277-F310 HydrophobicContact CE2-CZ 3.62Å; F277-F310 HydrophobicContact CG-CZ 4.28Å; F277-F310 HydrophobicContact CZ-CE1 4.32Å; F277-F310 AromaticContact CZ-CE2 3.61Å; F277-F310 HydrophobicContact CZ-CE2 3.61Å; F277-F310 AromaticContact CZ-CZ 3.27Å; F277-F310 HydrophobicContact CZ-CZ 3.27Å; V288-F310 HydrophobicContact CB-CD2 3.8Å; V288-F310 HydrophobicContact CB-CE1 4.2Å; V288-F310 HydrophobicContact CB-CE2 3.4Å; V288-F310 VanDerWaalsContact CB-CE2 3.4Å; V288-F310 HydrophobicContact CB-CG 4.4Å; V288-F310 HydrophobicContact CB-CZ 3.6Å; V288-F310 HydrophobicContact CG1-CE1 4.1Å; V288-F310 HydrophobicContact CG1-CE2 3.85Å; V288-F310 HydrophobicContact CG1-CZ 3.52Å; V288-F310 HydrophobicContact CG2-CD2 4Å; V288-F310 HydrophobicContact CG2-CE2 3.47Å; V288-F310 VanDerWaalsContact CG2-CE2 3.47Å; V288-F310 HydrophobicContact CG2-CZ 4.05Å; V288-F310 PolarHBondContact N-O 2.92Å; V288-F310 PolarHBondContact O-N 2.64Å; L290-F310 HydrophobicContact CD1-CE1 3.64Å; L290-F310 HydrophobicContact CD1-CZ 4.08Å; L290-F310 HydrophobicContact CG-CE1 4.35Å; V308-F310 HydrophobicContact CG1-CD1 4.22Å
311	H	75.1	Confident	67.1	Low	28 Å²	28	42.2 Å²	42.2	13%	0.13	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144.6	167.9	-157.5	-130.6	0	0	0	109.1	L150 L151 R285 G286 F287 R313	L150-H311 CarbonylContact C-O 3.57Å; L150-H311 CarbonylContact O-C 3.59Å; L150-H311 VanDerWaalsContact O-C 3.24Å; L151-H311 VanDerWaalsContact CA-O 3.29Å; L151-H311 WeakPolarHBondContact CA-O 3.42Å; R285-H311 PolarHBondContact O-CD2 2.89Å; R285-H311 PolarHBondContact O-NE2 2.9Å; G286-H311 CarbonylContact O-C 3.54Å; G286-H311 WeakPolarHBondContact O-CA 3.35Å; G286-H311 PolarHBondContact O-CD2 3.34Å; F287-H311 AromaticContact CD1-CD2 3.97Å; F287-H311 HydrophobicContact CE1-CB 4.47Å; F287-H311 AromaticContact CE1-CD2 3.9Å; F287-H311 AromaticContact CZ-CD2 3.94Å; H311-R313 WeakPolarHBondContact CE1-CG 3.38Å; H311-R313 PolarHBondContact CE1-NE 3.17Å; H311-R313 VanDerWaalsContact ND1-CG 3.3Å; H311-R313 WeakPolarHBondContact ND1-CG 3.29Å; H311-R313 PolarHBondContact ND1-NE 3.22Å
312	L	72.8	Confident	66.7	Low	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.223	C	C	.	.			trans	-131.6	106.7	173.3	-170.1	80	0	0	0	106.4	C149 L151 F217 V282 G286 V288 L314	C149-L312 HydrophobicContact CB-CD1 3.68Å; C149-L312 VanDerWaalsContact SG-CD1 3.56Å; L151-L312 HydrophobicContact CD2-CD1 3.95Å; L151-L312 HydrophobicContact CG-CD1 4.32Å; F217-L312 HydrophobicContact CE2-CD2 4.43Å; F217-L312 HydrophobicContact CZ-CD2 3.91Å; V282-L312 HydrophobicContact CG1-CB 4.35Å; V282-L312 HydrophobicContact CG1-CD2 4.36Å; V282-L312 HydrophobicContact CG2-CD2 3.51Å; G286-L312 WeakPolarHBondContact CA-O 3.39Å; G286-L312 PolarHBondContact O-N 3.05Å; V288-L312 HydrophobicContact CG2-CB 4.25Å; L312-L314 HydrophobicContact CD2-CD2 4.26Å
313	R	66.5	Low	66.5	Low	75 Å²	75	45.2 Å²	45.2	28%	0.283	23%	0.225	S	C	.	.			trans	-99.1	112.1	173.5	-63.8	-174	-166.6	176.9	-2	109.7	F148 C149 L150 H311 C315	F148-R313 CarbonylContact C-O 3.59Å; F148-R313 VanDerWaalsContact C-O 3.3Å; F148-R313 CarbonylContact O-C 3.46Å; C149-R313 VanDerWaalsContact CA-O 3.28Å; C149-R313 WeakPolarHBondContact CA-O 3.22Å; L150-R313 HydrophobicContact CB-CB 4.15Å; L150-R313 HydrophobicContact CB-CG 4.26Å; H311-R313 WeakPolarHBondContact CE1-CG 3.38Å; H311-R313 PolarHBondContact CE1-NE 3.17Å; H311-R313 VanDerWaalsContact ND1-CG 3.3Å; H311-R313 WeakPolarHBondContact ND1-CG 3.29Å; H311-R313 PolarHBondContact ND1-NE 3.22Å; R313-C315 PolarHBondContact O-N 3Å
314	L	63	Low	66	Low	25 Å²	25	45.5 Å²	45.5	13%	0.131	23%	0.227	C	C	.	.			trans	-81.9	103.5	168.1	-60	175.8	0	0	0	107.9	F147 F148 F217 L312 L422	F147-L314 HydrophobicContact CD1-CB 4.43Å; F147-L314 HydrophobicContact CD1-CD2 4.12Å; F148-L314 WeakPolarHBondContact O-CA 3.42Å; F217-L314 HydrophobicContact CE1-CD2 4.31Å; L312-L314 HydrophobicContact CD2-CD2 4.26Å; L314-L422 HydrophobicContact CB-CD1 4.46Å; L314-L422 HydrophobicContact CB-CD2 4.47Å
315	C	55.3	Low	65.5	Low	34 Å²	34	48.7 Å²	48.7	23%	0.23	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.9	166.6	-60	0	0	0	0	107.8	F147 F148 R313 F424	F147-C315 CarbonylContact C-O 3.54Å; F147-C315 WeakPolarHBondContact CA-O 3.49Å; F148-C315 HydrophobicContact CB-CB 3.92Å; F148-C315 HydrophobicContact CD2-CB 3.53Å; F148-C315 WeakPolarHBondContact CD2-O 3.43Å; F148-C315 HydrophobicContact CE2-CB 4.47Å; F148-C315 HydrophobicContact CG-CB 4.08Å; F148-C315 PolarHBondContact N-O 3.33Å; F148-C315 PolarHBondContact O-N 3.47Å; R313-C315 PolarHBondContact O-N 3Å; C315-F424 HydrophobicContact CB-CE1 4.05Å
316	F	51.7	Low	64.9	Low	37 Å²	37	54.8 Å²	54.8	16%	0.162	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.5	167.6	-60.8	-90	0	0	0	107.3	F147 H318 T413 M416	F147-F316 HydrophobicContact CD1-CD1 4.42Å; F147-F316 HydrophobicContact CD1-CE1 4.15Å; F147-F316 HydrophobicContact CE1-CD1 4.09Å; F147-F316 AromaticContact CE1-CE1 3.46Å; F147-F316 HydrophobicContact CE1-CE1 3.46Å; F147-F316 VanDerWaalsContact CE1-CE1 3.46Å; F147-F316 HydrophobicContact CE1-CZ 4.01Å; F147-F316 HydrophobicContact CZ-CD1 4.44Å; F147-F316 AromaticContact CZ-CE1 3.89Å; F147-F316 HydrophobicContact CZ-CE1 3.89Å; F316-H318 VanDerWaalsContact C-N 3.27Å; F316-H318 WeakPolarHBondContact CB-CE1 3.31Å; F316-H318 WeakPolarHBondContact CB-NE2 3.03Å; F316-H318 PolarHBondContact O-CD2 3.11Å; F316-H318 VanDerWaalsContact O-CD2 3.27Å; F316-H318 PolarHBondContact O-N 3.08Å; F316-T413 HydrophobicContact CB-CG2 4.33Å; F316-T413 HydrophobicContact CD2-CG2 3.38Å; F316-T413 HydrophobicContact CE2-CG2 3.75Å; F316-T413 HydrophobicContact CG-CG2 3.88Å; F316-M416 HydrophobicContact CZ-SD 4.42Å
317	D	49.1	Very low	64.6	Low	60 Å²	60	56.8 Å²	56.8	32%	0.321	29%	0.285	S	S	.	.			trans	-71.6	91.7	175.7	-158.2	0.5	0	0	0	109.3	P146 F148 L319	P146-D317 WeakPolarHBondContact CD-OD2 3.29Å; P146-D317 HydrophobicContact CG-CB 4.26Å; P146-D317 WeakPolarHBondContact O-CB 3.07Å; P146-D317 PolarHBondContact O-N 3.21Å; F148-D317 HydrophobicContact CE2-CB 3.86Å; F148-D317 HydrophobicContact CZ-CB 4.39Å; D317-L319 VanDerWaalsContact C-N 3.26Å; D317-L319 WeakPolarHBondContact OD1-CB 3.27Å; D317-L319 WeakPolarHBondContact OD1-CD1 3.35Å; D317-L319 WeakPolarHBondContact OD1-CG 3.31Å; D317-L319 PolarHBondContact OD1-N 2.82Å
318	H	46.4	Very low	64.7	Low	20 Å²	20	53 Å²	53	9%	0.093	27%	0.267	C	S	.	.			trans	-94.5	21.7	173.2	-51.7	-56.6	0	0	0	111.1	F316 K320 V346 Q410 T413	F316-H318 VanDerWaalsContact C-N 3.27Å; F316-H318 WeakPolarHBondContact CB-CE1 3.31Å; F316-H318 WeakPolarHBondContact CB-NE2 3.03Å; F316-H318 PolarHBondContact O-CD2 3.11Å; F316-H318 VanDerWaalsContact O-CD2 3.27Å; F316-H318 PolarHBondContact O-N 3.08Å; H318-K320 PolarHBondContact O-N 3.23Å; H318-V346 HydrophobicContact CB-CG2 3.83Å; H318-Q410 PolarHBondContact CE1-OE1 2.89Å; H318-Q410 PolarHBondContact ND1-NE2 2.89Å; H318-Q410 VanDerWaalsContact ND1-NE2 3.12Å; H318-T413 WeakPolarHBondContact CE1-CG2 3.5Å; H318-T413 WeakPolarHBondContact NE2-CG2 3.34Å
319	L	49.4	Very low	64.9	Low	139 Å²	139	53 Å²	53	73%	0.728	27%	0.267	S	S	*	.	S	Bend	trans	-52.5	112.6	173.7	-78.2	173.2	0	0	0	108	D317 K321	D317-L319 VanDerWaalsContact C-N 3.26Å; D317-L319 WeakPolarHBondContact OD1-CB 3.27Å; D317-L319 WeakPolarHBondContact OD1-CD1 3.35Å; D317-L319 WeakPolarHBondContact OD1-CG 3.31Å; D317-L319 PolarHBondContact OD1-N 2.82Å; L319-K321 PolarHBondContact O-N 3Å
320	K	54.8	Low	65.1	Low	123 Å²	123	51.6 Å²	51.6	54%	0.535	26%	0.258	S	S	.	.			trans	-3.7	90.5	178.9	-78.1	-170.3	174.6	-144.8	0	112.4	H318 V322 I343 L344 E350	H318-K320 PolarHBondContact O-N 3.23Å; K320-V322 PolarHBondContact O-N 2.73Å; K320-I343 HydrophobicContact CB-CG2 3.5Å; K320-I343 VanDerWaalsContact CB-CG2 3.5Å; K320-I343 HydrophobicContact CD-CG2 4Å; K320-I343 HydrophobicContact CG-CG2 3.75Å; K320-L344 WeakPolarHBondContact CA-O 3.4Å; K320-E350 IonicContact NZ-OE1 2.71Å; K320-E350 PolarHBondContact NZ-OE1 2.8Å; K320-E350 IonicContact NZ-OE2 2.9Å; K320-E350 PolarHBondContact NZ-OE2 2.88Å
321	K	62.6	Low	65.5	Low	137 Å²	137	54.3 Å²	54.3	60%	0.596	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.5	177.8	-171.9	173.3	-179.9	179.2	0	108.1	L319 V323 L344	L319-K321 PolarHBondContact O-N 3Å; K321-V323 WeakPolarHBondContact O-CG2 3.38Å; K321-V323 PolarHBondContact O-N 3.24Å; K321-V323 VanDerWaalsContact O-N 3.16Å; K321-L344 PolarHBondContact N-O 2.79Å; K321-L344 PolarHBondContact O-N 2.82Å
322	V	65.1	Low	66	Low	68 Å²	68	57.6 Å²	57.6	41%	0.412	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	114.2	165.2	-177.9	0	0	0	0	106.9	K320 D325 R341 I343	K320-V322 PolarHBondContact O-N 2.73Å; V322-D325 HydrophobicContact CG1-CB 4.5Å; V322-R341 HydrophobicContact CG1-CG 3.72Å; V322-I343 HydrophobicContact CG2-CG1 4.39Å
323	V	66.5	Low	66.3	Low	16 Å²	16	61.6 Å²	61.6	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-26.8	-174.9	-177.9	0	0	0	0	111.6	K321 C342 L344 L403 A406	K321-V323 WeakPolarHBondContact O-CG2 3.38Å; K321-V323 PolarHBondContact O-N 3.24Å; K321-V323 VanDerWaalsContact O-N 3.16Å; V323-C342 PolarHBondContact N-O 3.05Å; V323-L344 HydrophobicContact CG2-CB 3.43Å; V323-L344 VanDerWaalsContact CG2-CB 3.43Å; V323-L344 HydrophobicContact CG2-CD2 4.06Å; V323-L344 HydrophobicContact CG2-CG 4.35Å; V323-L403 HydrophobicContact CB-CD1 4.31Å; V323-L403 HydrophobicContact CG1-CB 4.33Å; V323-L403 HydrophobicContact CG1-CD1 3.96Å; V323-A406 HydrophobicContact CB-CB 4.35Å; V323-A406 HydrophobicContact CG1-CB 3.45Å; V323-A406 VanDerWaalsContact CG1-CB 3.45Å; V323-A406 HydrophobicContact CG2-CB 3.86Å
324	S	64.1	Low	67	Low	5 Å²	5	61.3 Å²	61.3	4%	0.035	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	131.4	177.3	62.1	0	0	0	0	110.5	L328 C342	S324-L328 WeakPolarHBondContact OG-CD1 3.41Å; S324-C342 PolarHBondContact O-N 2.86Å
325	D	58.3	Low	68.1	Low	92 Å²	92	66.5 Å²	66.5	49%	0.492	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.7	168.8	48.5	0.4	0	0	0	108.5	V322 S327	V322-D325 HydrophobicContact CG1-CB 4.5Å; D325-S327 PolarHBondContact O-N 3.2Å; D325-S327 VanDerWaalsContact O-N 3.15Å
326	E	59.6	Low	69.6	Low	153 Å²	153	68.7 Å²	68.7	72%	0.715	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	77.9	-16.8	161.2	-51.8	-174.3	180	0	0	120.9
327	S	69	Low	71.2	Confident	55 Å²	55	68.7 Å²	68.7	39%	0.385	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	6	-176.6	58.3	0	0	0	0	116.7	D325 G395 A399	D325-S327 PolarHBondContact O-N 3.2Å; D325-S327 VanDerWaalsContact O-N 3.15Å; S327-G395 WeakPolarHBondContact O-CA 3.21Å; S327-A399 WeakPolarHBondContact OG-CB 3.47Å
328	L	82.5	Confident	72.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	154	172.4	-69.7	-171.1	0	0	0	111.4	S324 I340 F393 T394 A399 L400 L403	S324-L328 WeakPolarHBondContact OG-CD1 3.41Å; L328-I340 HydrophobicContact CB-CD1 3.8Å; L328-I340 HydrophobicContact CB-CG1 3.68Å; L328-I340 WeakPolarHBondContact O-CG1 3.09Å; L328-I340 PolarHBondContact O-N 2.79Å; L328-F393 HydrophobicContact CD1-CD1 4.48Å; L328-T394 CarbonylContact C-O 3.43Å; L328-T394 WeakPolarHBondContact CA-O 3.48Å; L328-A399 HydrophobicContact CD2-CB 3.56Å; L328-A399 HydrophobicContact CG-CB 4.02Å; L328-L400 HydrophobicContact CD2-CD2 3.62Å; L328-L400 HydrophobicContact CD2-CG 4.14Å; L328-L403 HydrophobicContact CD1-CB 4.37Å; L328-L403 HydrophobicContact CD1-CD2 3.79Å
329	G	86.5	Confident	74.3	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151	166.6	0	0	0	0	0	112.2	H337 M338 F393 T394	G329-H337 CarbonylContact C-O 3.5Å; G329-H337 WeakPolarHBondContact CA-O 3.45Å; G329-M338 VanDerWaalsContact CA-CE 3.41Å; G329-F393 CarbonylContact O-C 3.48Å; G329-F393 VanDerWaalsContact O-CA 3.26Å; G329-F393 WeakPolarHBondContact O-CA 3.26Å; G329-T394 PolarHBondContact N-O 3.45Å; G329-T394 PolarHBondContact O-N 3.1Å; G329-T394 PolarHBondContact O-OG1 2.89Å
330	Y	89.1	Confident	76	Confident	13 Å²	13	66.1 Å²	66.1	5%	0.051	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.8	-174.9	-178.9	-111.9	0	0	0	109.7	K332 H337 V351 L362 A363 H391 F393	Y330-K332 HydrophobicContact CD1-CB 3.99Å; Y330-K332 HydrophobicContact CE1-CB 3.74Å; Y330-K332 HydrophobicContact CE1-CD 4.08Å; Y330-K332 HydrophobicContact CE1-CG 4.07Å; Y330-H337 PolarHBondContact N-O 2.92Å; Y330-H337 PolarHBondContact O-N 2.91Å; Y330-V351 HydrophobicContact CD1-CG1 4.35Å; Y330-V351 HydrophobicContact CD2-CG1 4.13Å; Y330-V351 HydrophobicContact CG-CG1 3.93Å; Y330-L362 HydrophobicContact CD1-CB 4.03Å; Y330-L362 HydrophobicContact CD1-CD1 3.92Å; Y330-L362 HydrophobicContact CE1-CB 4.21Å; Y330-L362 HydrophobicContact CG-CD1 4.5Å; Y330-A363 HydrophobicContact CE1-CB 4Å; Y330-A363 HydrophobicContact CE2-CB 4.34Å; Y330-A363 WeakPolarHBondContact OH-CB 3.32Å; Y330-H391 HydrophobicContact CE2-CB 4.01Å; Y330-H391 AromaticContact CE2-ND1 3.92Å; Y330-H391 AromaticContact CZ-ND1 3.76Å; Y330-H391 PolarHBondContact OH-ND1 3.33Å; Y330-F393 HydrophobicContact CD2-CD1 4.19Å; Y330-F393 AromaticContact CD2-CE1 3.82Å; Y330-F393 HydrophobicContact CD2-CE1 3.82Å; Y330-F393 HydrophobicContact CD2-CE2 4.17Å; Y330-F393 AromaticContact CD2-CZ 3.82Å; Y330-F393 HydrophobicContact CD2-CZ 3.82Å; Y330-F393 HydrophobicContact CE2-CE1 4.48Å; Y330-F393 HydrophobicContact CE2-CE2 4.21Å; Y330-F393 HydrophobicContact CE2-CZ 4.04Å
331	L	88.9	Confident	77.3	Confident	60 Å²	60	63.4 Å²	63.4	31%	0.314	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113	178	-174.8	78.7	0	0	0	109.4	Q335 V336 Y392	L331-Q335 WeakPolarHBondContact CA-O 3.4Å; L331-V336 HydrophobicContact CD1-CG2 3.69Å; L331-Y392 HydrophobicContact CD2-CD2 4.34Å; L331-Y392 HydrophobicContact CD2-CG 4.41Å; L331-Y392 PolarHBondContact N-O 3Å
332	K	84.9	Confident	78.3	Confident	96 Å²	96	56.9 Å²	56.9	42%	0.417	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123	175.9	-164.6	-178.6	-178.3	172	0	109.1	Y330 G334 Q335 L362	Y330-K332 HydrophobicContact CD1-CB 3.99Å; Y330-K332 HydrophobicContact CE1-CB 3.74Å; Y330-K332 HydrophobicContact CE1-CD 4.08Å; Y330-K332 HydrophobicContact CE1-CG 4.07Å; K332-G334 VanDerWaalsContact C-N 3.26Å; K332-G334 PolarHBondContact O-N 3.11Å; K332-Q335 PolarHBondContact N-O 2.85Å; K332-Q335 PolarHBondContact O-N 2.97Å; K332-Q335 VanDerWaalsContact O-N 3.08Å; K332-L362 PolarHBondContact NZ-O 3.24Å
333	G	79.7	Confident	78.9	Confident	86 Å²	86	54.5 Å²	54.5	89%	0.887	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	31	177.6	0	0	0	0	0	114.7	Q335	G333-Q335 VanDerWaalsContact C-N 3.26Å; G333-Q335 PolarHBondContact O-N 3.15Å
334	G	80.6	Confident	79.3	Confident	68 Å²	68	54 Å²	54	70%	0.701	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-1.2	-177.5	0	0	0	0	0	115	K332	K332-G334 VanDerWaalsContact C-N 3.26Å; K332-G334 PolarHBondContact O-N 3.11Å
335	Q	85.7	Confident	79.5	Confident	135 Å²	135	54.4 Å²	54.4	63%	0.631	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.9	173.8	-65.4	-174.8	-5.6	0	0	110.7	L331 K332 G333	L331-Q335 WeakPolarHBondContact CA-O 3.4Å; K332-Q335 PolarHBondContact N-O 2.85Å; K332-Q335 PolarHBondContact O-N 2.97Å; K332-Q335 VanDerWaalsContact O-N 3.08Å; G333-Q335 VanDerWaalsContact C-N 3.26Å; G333-Q335 PolarHBondContact O-N 3.15Å
336	V	86.4	Confident	79.7	Confident	80 Å²	80	53.7 Å²	53.7	49%	0.485	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.8	174.5	-179.7	0	0	0	0	108.6	L331 M338	L331-V336 HydrophobicContact CD1-CG2 3.69Å; V336-M338 HydrophobicContact CG1-CE 3.98Å; V336-M338 HydrophobicContact CG1-CG 4.02Å; V336-M338 HydrophobicContact CG1-SD 4.18Å
337	H	85	Confident	80.2	Confident	37 Å²	37	49.7 Å²	49.7	17%	0.171	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.3	175.6	-66.3	-63.2	0	0	0	110	G329 Y330 I340 M353 L362	G329-H337 CarbonylContact C-O 3.5Å; G329-H337 WeakPolarHBondContact CA-O 3.45Å; Y330-H337 PolarHBondContact N-O 2.92Å; Y330-H337 PolarHBondContact O-N 2.91Å; H337-I340 HydrophobicContact CB-CG2 4.43Å; H337-I340 WeakPolarHBondContact O-CG2 3.19Å; H337-M353 HydrophobicContact CB-CE 3.42Å; H337-M353 VanDerWaalsContact CB-CE 3.42Å; H337-M353 WeakPolarHBondContact ND1-CE 3.17Å; H337-L362 HydrophobicContact CB-CD1 3.67Å
338	M	81.5	Confident	80.6	Confident	105 Å²	105	47.2 Å²	47.2	52%	0.517	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.3	179	-75.6	-177.5	172.5	0	0	110.7	G329 V336 T394	G329-M338 VanDerWaalsContact CA-CE 3.41Å; V336-M338 HydrophobicContact CG1-CE 3.98Å; V336-M338 HydrophobicContact CG1-CG 4.02Å; V336-M338 HydrophobicContact CG1-SD 4.18Å; M338-T394 VanDerWaalsContact CE-OG1 3.3Å; M338-T394 WeakPolarHBondContact CE-OG1 3.08Å
339	P	80	Confident	80.6	Confident	59 Å²	59	47.2 Å²	47.2	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-73.6	148.1	-13.1	32	-33.2	0	0	0	110.8
340	I	84.7	Confident	80.5	Confident	1 Å²	1	49 Å²	49	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	153.1	169.3	67.8	180	0	0	0	110.3	L328 H337 V351 I352 L362 F393	L328-I340 HydrophobicContact CB-CD1 3.8Å; L328-I340 HydrophobicContact CB-CG1 3.68Å; L328-I340 WeakPolarHBondContact O-CG1 3.09Å; L328-I340 PolarHBondContact O-N 2.79Å; H337-I340 HydrophobicContact CB-CG2 4.43Å; H337-I340 WeakPolarHBondContact O-CG2 3.19Å; I340-V351 HydrophobicContact CB-CG1 4.26Å; I340-V351 HydrophobicContact CD1-CG1 3.86Å; I340-V351 HydrophobicContact CG2-CG1 4.39Å; I340-I352 CarbonylContact C-O 3.55Å; I340-I352 VanDerWaalsContact CA-O 3.23Å; I340-I352 WeakPolarHBondContact CA-O 3.29Å; I340-I352 WeakPolarHBondContact CB-O 3Å; I340-L362 HydrophobicContact CG2-CD1 3.79Å; I340-F393 HydrophobicContact CD1-CD1 3.76Å; I340-F393 HydrophobicContact CD1-CE1 3.9Å
341	R	82.8	Confident	80.4	Confident	66 Å²	66	48.4 Å²	48.4	25%	0.249	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.1	165.7	-168.3	-174.8	-63.1	160.8	-2.6	108.6	V322 I343 I352 E354 D359	V322-R341 HydrophobicContact CG1-CG 3.72Å; R341-I343 HydrophobicContact CG-CG1 4.27Å; R341-I352 HydrophobicContact CB-CB 4.46Å; R341-I352 PolarHBondContact N-O 3.05Å; R341-I352 PolarHBondContact O-N 2.72Å; R341-E354 HydrophobicContact CB-CG 4.44Å; R341-E354 IonicContact CZ-OE1 2.73Å; R341-E354 IonicContact NE-OE1 3.94Å; R341-E354 PolarHBondContact NE-OE1 3.25Å; R341-E354 IonicContact NH2-OE1 2.67Å; R341-E354 PolarHBondContact NH2-OE1 2.96Å; R341-E354 IonicContact NH2-OE2 3.35Å; R341-E354 PolarHBondContact NH2-OE2 2.99Å; R341-D359 IonicContact NH1-OD2 2.71Å
342	C	83	Confident	80.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.3	172.5	-67.1	0	0	0	0	109	V323 S324 V349 E350 L403	V323-C342 PolarHBondContact N-O 3.05Å; S324-C342 PolarHBondContact O-N 2.86Å; C342-V349 HydrophobicContact CB-CG1 4.2Å; C342-E350 WeakPolarHBondContact CA-O 3.11Å; C342-L403 HydrophobicContact CB-CD1 4.13Å
343	I	78.6	Confident	80	Confident	17 Å²	17	42.5 Å²	42.5	9%	0.087	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.1	176.6	-53.4	-174.7	0	0	0	108.5	K320 V322 R341 E350 I352	K320-I343 HydrophobicContact CB-CG2 3.5Å; K320-I343 VanDerWaalsContact CB-CG2 3.5Å; K320-I343 HydrophobicContact CD-CG2 4Å; K320-I343 HydrophobicContact CG-CG2 3.75Å; V322-I343 HydrophobicContact CG2-CG1 4.39Å; R341-I343 HydrophobicContact CG-CG1 4.27Å; I343-E350 HydrophobicContact CB-CB 4.21Å; I343-E350 PolarHBondContact N-O 3.14Å; I343-E350 PolarHBondContact O-N 2.76Å; I343-I352 HydrophobicContact CD1-CD1 3.51Å; I343-I352 HydrophobicContact CG1-CD1 4.12Å
344	L	74.4	Confident	79.6	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.6	176.2	-171.8	70.4	0	0	0	109.8	K320 K321 V323 V349 L367 A406 I407 Q410	K320-L344 WeakPolarHBondContact CA-O 3.4Å; K321-L344 PolarHBondContact N-O 2.79Å; K321-L344 PolarHBondContact O-N 2.82Å; V323-L344 HydrophobicContact CG2-CB 3.43Å; V323-L344 VanDerWaalsContact CG2-CB 3.43Å; V323-L344 HydrophobicContact CG2-CD2 4.06Å; V323-L344 HydrophobicContact CG2-CG 4.35Å; L344-V349 HydrophobicContact CD1-CG2 3.78Å; L344-L367 HydrophobicContact CD1-CD1 3.52Å; L344-A406 HydrophobicContact CD2-CB 3.85Å; L344-I407 HydrophobicContact CD1-CG1 4.49Å; L344-Q410 HydrophobicContact CD1-CG 3.82Å; L344-Q410 HydrophobicContact CD2-CG 3.41Å; L344-Q410 VanDerWaalsContact CD2-CG 3.41Å; L344-Q410 HydrophobicContact CG-CG 3.67Å
345	G	67.8	Low	79.3	Confident	14 Å²	14	44.5 Å²	44.5	14%	0.144	23%	0.229	C	C	.	.			trans	-90.6	-171.9	168.4	0	0	0	0	0	112.2	S347 A348	G345-S347 VanDerWaalsContact C-N 3.32Å; G345-S347 PolarHBondContact O-N 3.1Å; G345-A348 PolarHBondContact N-O 2.87Å
346	V	62.1	Low	78	Confident	77 Å²	77	44.5 Å²	44.5	47%	0.467	24%	0.244	S	C	.	.	S	Bend	trans	-63.2	-37.5	179.3	-179.2	0	0	0	0	112	H318	H318-V346 HydrophobicContact CB-CG2 3.83Å
347	S	71	Confident	77	Confident	68 Å²	68	44.1 Å²	44.1	48%	0.476	26%	0.257	S	S	.	.	S	Bend	trans	-136.3	11	-171.3	58.7	0	0	0	0	113.4	G345 P366 L367	G345-S347 VanDerWaalsContact C-N 3.32Å; G345-S347 PolarHBondContact O-N 3.1Å; S347-P366 WeakPolarHBondContact O-CA 3.14Å; S347-L367 PolarHBondContact O-N 2.71Å
348	A	77.6	Confident	76.4	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.8	-177.9	0	0	0	0	0	113.3	G345 W364 I365	G345-A348 PolarHBondContact N-O 2.87Å; A348-W364 HydrophobicContact CB-CD2 3.96Å; A348-W364 HydrophobicContact CB-CG 4.45Å; A348-W364 HydrophobicContact CB-CH2 4.1Å; A348-W364 HydrophobicContact CB-CZ2 3.37Å; A348-I365 CarbonylContact C-O 3.55Å; A348-I365 WeakPolarHBondContact CA-O 3.29Å; A348-I365 VanDerWaalsContact CB-O 3.3Å; A348-I365 WeakPolarHBondContact CB-O 3.47Å
349	V	82.8	Confident	76.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.8	164.1	-173.6	0	0	0	0	108.2	C342 L344 V351 I365 L367 L403 I407	C342-V349 HydrophobicContact CB-CG1 4.2Å; L344-V349 HydrophobicContact CD1-CG2 3.78Å; V349-V351 HydrophobicContact CG1-CG2 4.45Å; V349-I365 HydrophobicContact CB-CB 4.31Å; V349-I365 PolarHBondContact N-O 3.44Å; V349-I365 PolarHBondContact O-N 2.85Å; V349-L367 HydrophobicContact CG2-CD1 3.84Å; V349-L367 HydrophobicContact CG2-CD2 3.99Å; V349-L367 HydrophobicContact CG2-CG 4.07Å; V349-L403 HydrophobicContact CG1-CD1 4.41Å; V349-I407 HydrophobicContact CG2-CD1 4.12Å; V349-I407 HydrophobicContact CG2-CG1 3.95Å
350	E	84.2	Confident	76.5	Confident	38 Å²	38	49 Å²	49	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122	168.9	-63.4	173	-178.6	0	0	108.5	K320 C342 I343 I352 L361	K320-E350 IonicContact NZ-OE1 2.71Å; K320-E350 PolarHBondContact NZ-OE1 2.8Å; K320-E350 IonicContact NZ-OE2 2.9Å; K320-E350 PolarHBondContact NZ-OE2 2.88Å; C342-E350 WeakPolarHBondContact CA-O 3.11Å; I343-E350 HydrophobicContact CB-CB 4.21Å; I343-E350 PolarHBondContact N-O 3.14Å; I343-E350 PolarHBondContact O-N 2.76Å; E350-I352 HydrophobicContact CB-CG1 4.48Å; E350-L361 HydrophobicContact CB-CD1 3.99Å; E350-L361 HydrophobicContact CG-CD1 4.43Å
351	V	86.2	Confident	76.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.5	176	-173.8	0	0	0	0	108.3	Y330 I340 V349 L362 A363 I365 F393	Y330-V351 HydrophobicContact CD1-CG1 4.35Å; Y330-V351 HydrophobicContact CD2-CG1 4.13Å; Y330-V351 HydrophobicContact CG-CG1 3.93Å; I340-V351 HydrophobicContact CB-CG1 4.26Å; I340-V351 HydrophobicContact CD1-CG1 3.86Å; I340-V351 HydrophobicContact CG2-CG1 4.39Å; V349-V351 HydrophobicContact CG1-CG2 4.45Å; V351-L362 HydrophobicContact CB-CB 4.49Å; V351-L362 HydrophobicContact CG1-CB 4.27Å; V351-L362 HydrophobicContact CG1-CD1 4.38Å; V351-L362 PolarHBondContact O-N 2.77Å; V351-A363 HydrophobicContact CB-CB 4.14Å; V351-A363 HydrophobicContact CG2-CB 4.17Å; V351-A363 PolarHBondContact N-O 3.19Å; V351-A363 PolarHBondContact O-N 3.44Å; V351-I365 HydrophobicContact CG2-CD1 3.93Å; V351-I365 HydrophobicContact CG2-CG1 4.46Å; V351-F393 HydrophobicContact CG1-CE1 4.2Å; V351-F393 HydrophobicContact CG2-CE1 3.74Å; V351-F393 HydrophobicContact CG2-CZ 3.57Å
352	I	83.7	Confident	76.6	Confident	18 Å²	18	50.8 Å²	50.8	9%	0.092	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.4	-172.8	-59.4	177.9	0	0	0	109	I340 R341 I343 E350 D359 E360 L361	I340-I352 CarbonylContact C-O 3.55Å; I340-I352 VanDerWaalsContact CA-O 3.23Å; I340-I352 WeakPolarHBondContact CA-O 3.29Å; I340-I352 WeakPolarHBondContact CB-O 3Å; R341-I352 HydrophobicContact CB-CB 4.46Å; R341-I352 PolarHBondContact N-O 3.05Å; R341-I352 PolarHBondContact O-N 2.72Å; I343-I352 HydrophobicContact CD1-CD1 3.51Å; I343-I352 HydrophobicContact CG1-CD1 4.12Å; E350-I352 HydrophobicContact CB-CG1 4.48Å; I352-D359 HydrophobicContact CG2-CB 3.62Å; I352-E360 CarbonylContact C-O 3.58Å; I352-E360 WeakPolarHBondContact CA-O 3.34Å; I352-L361 HydrophobicContact CG1-CD1 4.13Å
353	M	82.5	Confident	76.7	Confident	13 Å²	13	51.4 Å²	51.4	6%	0.064	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.1	166.9	-172.1	-172.3	-74.4	0	0	109	H337 R355 E360 L362	H337-M353 HydrophobicContact CB-CE 3.42Å; H337-M353 VanDerWaalsContact CB-CE 3.42Å; H337-M353 WeakPolarHBondContact ND1-CE 3.17Å; M353-R355 HydrophobicContact CG-CG 4.26Å; M353-R355 PolarHBondContact O-N 2.84Å; M353-R355 HydrophobicContact SD-CG 3.93Å; M353-R355 PolarHBondContact SD-NE 3.23Å; M353-R355 PolarHBondContact SD-NH2 3.07Å; M353-R355 VanDerWaalsContact SD-NH2 3.43Å; M353-E360 HydrophobicContact CB-CB 4.36Å; M353-E360 PolarHBondContact N-O 2.78Å; M353-E360 PolarHBondContact O-N 3.44Å; M353-L362 HydrophobicContact CB-CD1 3.93Å; M353-L362 HydrophobicContact CB-CD2 4.03Å; M353-L362 HydrophobicContact CB-CG 3.88Å; M353-L362 HydrophobicContact CE-CD1 4.06Å; M353-L362 HydrophobicContact CE-CD2 3.82Å; M353-L362 HydrophobicContact CE-CG 4.47Å
354	E	71.7	Confident	77	Confident	61 Å²	61	57.1 Å²	57.1	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.4	171.3	-65	-176.5	-159	0	0	109	R341	R341-E354 HydrophobicContact CB-CG 4.44Å; R341-E354 IonicContact CZ-OE1 2.73Å; R341-E354 IonicContact NE-OE1 3.94Å; R341-E354 PolarHBondContact NE-OE1 3.25Å; R341-E354 IonicContact NH2-OE1 2.67Å; R341-E354 PolarHBondContact NH2-OE1 2.96Å; R341-E354 IonicContact NH2-OE2 3.35Å; R341-E354 PolarHBondContact NH2-OE2 2.99Å
355	R	73.4	Confident	77.5	Confident	135 Å²	135	56.8 Å²	56.8	51%	0.509	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.2	165.9	-67.6	-174.6	175.2	151.5	9.9	109.1	M353 G357 N358 E360	M353-R355 HydrophobicContact CG-CG 4.26Å; M353-R355 PolarHBondContact O-N 2.84Å; M353-R355 HydrophobicContact SD-CG 3.93Å; M353-R355 PolarHBondContact SD-NE 3.23Å; M353-R355 PolarHBondContact SD-NH2 3.07Å; M353-R355 VanDerWaalsContact SD-NH2 3.43Å; R355-G357 PolarHBondContact O-N 3.33Å; R355-N358 WeakPolarHBondContact CB-O 3.46Å; R355-N358 PolarHBondContact N-O 3.09Å; R355-N358 PolarHBondContact O-N 3.48Å; R355-E360 IonicContact CZ-OE2 3.07Å; R355-E360 IonicContact NE-OE2 3.86Å; R355-E360 IonicContact NH1-OE2 2.72Å; R355-E360 PolarHBondContact NH1-OE2 3.45Å; R355-E360 IonicContact NH2-OE2 3.27Å; R355-E360 PolarHBondContact NH2-OE2 3.41Å
356	S	58.9	Low	78.1	Confident	135 Å²	135	58.1 Å²	58.1	94%	0.944	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	94.7	178.7	57.3	0	0	0	0	111.3
357	G	65.1	Low	78.7	Confident	73 Å²	73	55.4 Å²	55.4	75%	0.753	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	-4	176.9	0	0	0	0	0	117.2	R355	R355-G357 PolarHBondContact O-N 3.33Å
358	N	72.6	Confident	78.7	Confident	134 Å²	134	53.7 Å²	53.7	72%	0.717	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.8	121.3	172.9	-89.2	-30.7	0	0	0	111.6	R355	R355-N358 WeakPolarHBondContact CB-O 3.46Å; R355-N358 PolarHBondContact N-O 3.09Å; R355-N358 PolarHBondContact O-N 3.48Å
359	D	78.7	Confident	78.3	Confident	92 Å²	92	57 Å²	57	49%	0.492	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.1	171.5	-77.2	1.1	0	0	0	109.6	R341 I352	R341-D359 IonicContact NH1-OD2 2.71Å; I352-D359 HydrophobicContact CG2-CB 3.62Å
360	E	83.9	Confident	77.7	Confident	78 Å²	78	63.6 Å²	63.6	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.8	179.1	-173.7	-177.1	158.7	0	0	110.4	I352 M353 R355 L362	I352-E360 CarbonylContact C-O 3.58Å; I352-E360 WeakPolarHBondContact CA-O 3.34Å; M353-E360 HydrophobicContact CB-CB 4.36Å; M353-E360 PolarHBondContact N-O 2.78Å; M353-E360 PolarHBondContact O-N 3.44Å; R355-E360 IonicContact CZ-OE2 3.07Å; R355-E360 IonicContact NE-OE2 3.86Å; R355-E360 IonicContact NH1-OE2 2.72Å; R355-E360 PolarHBondContact NH1-OE2 3.45Å; R355-E360 IonicContact NH2-OE2 3.27Å; R355-E360 PolarHBondContact NH2-OE2 3.41Å; E360-L362 PolarHBondContact O-N 3.07Å; E360-L362 VanDerWaalsContact O-N 3.16Å
361	L	85	Confident	77.1	Confident	96 Å²	96	62 Å²	62	50%	0.503	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	107.9	173.9	-177	70.7	0	0	0	110.1	E350 I352 A363	E350-L361 HydrophobicContact CB-CD1 3.99Å; E350-L361 HydrophobicContact CG-CD1 4.43Å; I352-L361 HydrophobicContact CG1-CD1 4.13Å; L361-A363 WeakPolarHBondContact CD1-O 3.47Å
362	L	84.7	Confident	76.5	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.042	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-38.5	179.5	-63.6	-177.3	0	0	0	112.9	Y330 K332 H337 I340 V351 M353 E360	Y330-L362 HydrophobicContact CD1-CB 4.03Å; Y330-L362 HydrophobicContact CD1-CD1 3.92Å; Y330-L362 HydrophobicContact CE1-CB 4.21Å; Y330-L362 HydrophobicContact CG-CD1 4.5Å; K332-L362 PolarHBondContact NZ-O 3.24Å; H337-L362 HydrophobicContact CB-CD1 3.67Å; I340-L362 HydrophobicContact CG2-CD1 3.79Å; V351-L362 HydrophobicContact CB-CB 4.49Å; V351-L362 HydrophobicContact CG1-CB 4.27Å; V351-L362 HydrophobicContact CG1-CD1 4.38Å; V351-L362 PolarHBondContact O-N 2.77Å; M353-L362 HydrophobicContact CB-CD1 3.93Å; M353-L362 HydrophobicContact CB-CD2 4.03Å; M353-L362 HydrophobicContact CB-CG 3.88Å; M353-L362 HydrophobicContact CE-CD1 4.06Å; M353-L362 HydrophobicContact CE-CD2 3.82Å; M353-L362 HydrophobicContact CE-CG 4.47Å; E360-L362 PolarHBondContact O-N 3.07Å; E360-L362 VanDerWaalsContact O-N 3.16Å
363	A	85.4	Confident	76.1	Confident	13 Å²	13	66.2 Å²	66.2	11%	0.107	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	148.8	-179	0	0	0	0	0	111.2	Y330 V351 L361 I365	Y330-A363 HydrophobicContact CE1-CB 4Å; Y330-A363 HydrophobicContact CE2-CB 4.34Å; Y330-A363 WeakPolarHBondContact OH-CB 3.32Å; V351-A363 HydrophobicContact CB-CB 4.14Å; V351-A363 HydrophobicContact CG2-CB 4.17Å; V351-A363 PolarHBondContact N-O 3.19Å; V351-A363 PolarHBondContact O-N 3.44Å; L361-A363 WeakPolarHBondContact CD1-O 3.47Å; A363-I365 HydrophobicContact CB-CG1 4.31Å
364	W	85.9	Confident	75.9	Confident	136 Å²	136	68.1 Å²	68.1	52%	0.515	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.8	168.3	-175.9	92.1	0	0	0	106.8	A348 P366	A348-W364 HydrophobicContact CB-CD2 3.96Å; A348-W364 HydrophobicContact CB-CG 4.45Å; A348-W364 HydrophobicContact CB-CH2 4.1Å; A348-W364 HydrophobicContact CB-CZ2 3.37Å; W364-P366 HydrophobicContact CE3-CB 4.38Å; W364-P366 HydrophobicContact CE3-CG 4.34Å; W364-P366 HydrophobicContact CH2-CB 3.87Å; W364-P366 HydrophobicContact CZ3-CB 3.54Å; W364-P366 HydrophobicContact CZ3-CG 3.79Å; W364-P366 WeakPolarHBondContact O-CD 3.48Å
365	I	84.9	Confident	75.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106	-171.8	-51.2	175.2	0	0	0	108	A348 V349 V351 A363 L367 I382 H391 F393	A348-I365 CarbonylContact C-O 3.55Å; A348-I365 WeakPolarHBondContact CA-O 3.29Å; A348-I365 VanDerWaalsContact CB-O 3.3Å; A348-I365 WeakPolarHBondContact CB-O 3.47Å; V349-I365 HydrophobicContact CB-CB 4.31Å; V349-I365 PolarHBondContact N-O 3.44Å; V349-I365 PolarHBondContact O-N 2.85Å; V351-I365 HydrophobicContact CG2-CD1 3.93Å; V351-I365 HydrophobicContact CG2-CG1 4.46Å; A363-I365 HydrophobicContact CB-CG1 4.31Å; I365-L367 PolarHBondContact O-N 3.45Å; I365-I382 HydrophobicContact CG2-CG2 3.81Å; I365-H391 HydrophobicContact CD1-CB 3.57Å; I365-H391 VanDerWaalsContact CD1-CG 3.44Å; I365-H391 HydrophobicContact CG1-CB 4.38Å; I365-F393 HydrophobicContact CD1-CE2 3.8Å; I365-F393 HydrophobicContact CD1-CZ 3.6Å
366	P	79.2	Confident	75.8	Confident	41 Å²	41	64.4 Å²	64.4	27%	0.266	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	134	175.6	21.7	-27.2	0	0	0	110.5	S347 W364 T371 P385	S347-P366 WeakPolarHBondContact O-CA 3.14Å; W364-P366 HydrophobicContact CE3-CB 4.38Å; W364-P366 HydrophobicContact CE3-CG 4.34Å; W364-P366 HydrophobicContact CH2-CB 3.87Å; W364-P366 HydrophobicContact CZ3-CB 3.54Å; W364-P366 HydrophobicContact CZ3-CG 3.79Å; W364-P366 WeakPolarHBondContact O-CD 3.48Å; P366-T371 PolarHBondContact O-OG1 3.36Å; P366-P385 HydrophobicContact CB-CG 4.43Å; P366-P385 HydrophobicContact CG-CG 4.49Å
367	L	75.7	Confident	76.3	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.105	37%	0.373	C	S	.	.			trans	-101.7	118	172.7	-64.1	-177.2	0	0	0	108.7	L344 S347 V349 I365 T371 I407 Q410	L344-L367 HydrophobicContact CD1-CD1 3.52Å; S347-L367 PolarHBondContact O-N 2.71Å; V349-L367 HydrophobicContact CG2-CD1 3.84Å; V349-L367 HydrophobicContact CG2-CD2 3.99Å; V349-L367 HydrophobicContact CG2-CG 4.07Å; I365-L367 PolarHBondContact O-N 3.45Å; L367-T371 HydrophobicContact CD2-CG2 3.85Å; L367-I407 HydrophobicContact CD1-CG1 4.42Å; L367-I407 HydrophobicContact CD1-CG2 4.38Å; L367-I407 HydrophobicContact CD2-CG1 4.35Å; L367-I407 HydrophobicContact CD2-CG2 3.72Å; L367-Q410 HydrophobicContact CD1-CB 4.1Å
368	A	70.8	Confident	76.9	Confident	33 Å²	33	64.6 Å²	64.6	27%	0.273	36%	0.362	S	S	.	.			trans	-126.9	176	168.6	0	0	0	0	0	109.7	E370 T371 P385 Q411	A368-E370 PolarHBondContact O-N 2.61Å; A368-E370 VanDerWaalsContact O-N 3.1Å; A368-T371 PolarHBondContact N-OG1 2.83Å; A368-T371 WeakPolarHBondContact O-CB 3.47Å; A368-T371 PolarHBondContact O-N 3.28Å; A368-T371 VanDerWaalsContact O-N 3.1Å; A368-T371 PolarHBondContact O-OG1 2.95Å; A368-P385 HydrophobicContact CB-CB 3.77Å; A368-P385 HydrophobicContact CB-CG 3.42Å; A368-P385 VanDerWaalsContact CB-CG 3.42Å; A368-Q411 PolarHBondContact O-NE2 2.96Å
369	L	68.4	Low	77.5	Confident	74 Å²	74	61.2 Å²	61.2	39%	0.387	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.4	173.4	-116.9	98.3	0	0	0	113.1	R415	L369-R415 HydrophobicContact CD1-CB 4.35Å; L369-R415 HydrophobicContact CD1-CG 3.44Å; L369-R415 VanDerWaalsContact CD1-CG 3.44Å; L369-R415 HydrophobicContact CD2-CG 3.84Å; L369-R415 HydrophobicContact CG-CG 3.6Å
370	E	70	Confident	77.9	Confident	137 Å²	137	56.8 Å²	56.8	64%	0.64	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.4	-174.4	-62.5	169.1	167	0	0	113.2	A368 C372 P385	A368-E370 PolarHBondContact O-N 2.61Å; A368-E370 VanDerWaalsContact O-N 3.1Å; E370-C372 PolarHBondContact O-N 3.41Å; E370-C372 VanDerWaalsContact O-N 3.1Å; E370-P385 HydrophobicContact CB-CB 4.36Å
371	T	72.1	Confident	78.2	Confident	6 Å²	6	55 Å²	55	4%	0.037	31%	0.312	C	S	.	.			trans	-62.6	116.4	178.1	-55.9	0	0	0	0	109.4	P366 L367 A368 I382 C383 Q411	P366-T371 PolarHBondContact O-OG1 3.36Å; L367-T371 HydrophobicContact CD2-CG2 3.85Å; A368-T371 PolarHBondContact N-OG1 2.83Å; A368-T371 WeakPolarHBondContact O-CB 3.47Å; A368-T371 PolarHBondContact O-N 3.28Å; A368-T371 VanDerWaalsContact O-N 3.1Å; A368-T371 PolarHBondContact O-OG1 2.95Å; T371-I382 HydrophobicContact CG2-CG2 3.64Å; T371-C383 WeakPolarHBondContact CA-O 3.45Å; T371-C383 WeakPolarHBondContact CG2-O 3.37Å; T371-Q411 PolarHBondContact O-NE2 3.23Å
372	C	73.6	Confident	78.3	Confident	80 Å²	80	50.5 Å²	50.5	54%	0.541	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.7	177.8	-72.2	0	0	0	0	110.2	E370 I382 C383	E370-C372 PolarHBondContact O-N 3.41Å; E370-C372 VanDerWaalsContact O-N 3.1Å; C372-I382 WeakPolarHBondContact O-CA 3.44Å; C372-C383 HydrophobicContact CB-CB 4.21Å; C372-C383 PolarHBondContact O-N 3.38Å
373	V	76	Confident	78.3	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.1	174.6	-173.2	0	0	0	0	109	L380 E381 I382 R404 I407	V373-L380 HydrophobicContact CG1-CD1 3.4Å; V373-L380 VanDerWaalsContact CG1-CD1 3.4Å; V373-L380 HydrophobicContact CG1-CD2 4.4Å; V373-L380 HydrophobicContact CG1-CG 4.02Å; V373-E381 WeakPolarHBondContact CA-O 3.14Å; V373-I382 HydrophobicContact CG1-CG1 4.4Å; V373-I382 HydrophobicContact CG2-CG1 4.39Å; V373-R404 HydrophobicContact CG1-CB 4.25Å; V373-R404 HydrophobicContact CG1-CG 3.87Å; V373-I407 HydrophobicContact CG2-CB 4.36Å; V373-I407 HydrophobicContact CG2-CD1 4.47Å; V373-I407 HydrophobicContact CG2-CG2 3.67Å
374	A	77.5	Confident	77.9	Confident	54 Å²	54	50.7 Å²	50.7	45%	0.446	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.4	177.4	0	0	0	0	0	110.1	L380 E381	A374-L380 WeakPolarHBondContact O-CA 2.58Å; A374-E381 HydrophobicContact CB-CB 4.39Å; A374-E381 PolarHBondContact N-O 3.13Å; A374-E381 PolarHBondContact O-N 3.29Å
375	N	71.6	Confident	77.2	Confident	60 Å²	60	45.9 Å²	45.9	32%	0.321	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.9	-179.2	-164.4	19.5	0	0	0	110	L379 L380 N401	N375-L379 PolarHBondContact OD1-O 3.49Å; N375-L380 HydrophobicContact CB-CD1 4.17Å; N375-N401 PolarHBondContact ND2-OD1 3.46Å; N375-N401 VanDerWaalsContact ND2-OD1 3.15Å
376	A	71.9	Confident	76.8	Confident	57 Å²	57	50.5 Å²	50.5	47%	0.471	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	163.3	158.8	0	0	0	0	0	108.3	D378 L379	A376-D378 PolarHBondContact O-N 2.85Å; A376-L379 HydrophobicContact CB-CB 4.4Å; A376-L379 PolarHBondContact N-O 3.39Å; A376-L379 PolarHBondContact O-N 2.81Å; A376-L379 VanDerWaalsContact O-N 3.08Å
377	T	69.3	Low	76.6	Confident	115 Å²	115	50.9 Å²	50.9	71%	0.706	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-33.6	-167.3	47.4	0	0	0	0	115.4
378	D	77.8	Confident	76.6	Confident	97 Å²	97	56.8 Å²	56.8	52%	0.519	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	12.9	-176.1	-50	-66.7	0	0	0	113.3	A376	A376-D378 PolarHBondContact O-N 2.85Å
379	L	85.5	Confident	77.1	Confident	63 Å²	63	57.7 Å²	57.7	33%	0.33	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	122	-174.1	-170.1	78	0	0	0	111.1	N375 A376 Y392 F393 T394	N375-L379 PolarHBondContact OD1-O 3.49Å; A376-L379 HydrophobicContact CB-CB 4.4Å; A376-L379 PolarHBondContact N-O 3.39Å; A376-L379 PolarHBondContact O-N 2.81Å; A376-L379 VanDerWaalsContact O-N 3.08Å; L379-Y392 HydrophobicContact CD1-CD1 4.42Å; L379-Y392 HydrophobicContact CD2-CD1 4.08Å; L379-Y392 HydrophobicContact CG-CD1 4.39Å; L379-F393 CarbonylContact C-O 3.51Å; L379-F393 WeakPolarHBondContact CA-O 3.21Å; L379-T394 HydrophobicContact CD1-CG2 3.65Å
380	L	87.2	Confident	78	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.8	170.8	-174.6	79.3	0	0	0	109.3	V373 A374 N375 I382 Y392 F393 L400 L403 R404	V373-L380 HydrophobicContact CG1-CD1 3.4Å; V373-L380 VanDerWaalsContact CG1-CD1 3.4Å; V373-L380 HydrophobicContact CG1-CD2 4.4Å; V373-L380 HydrophobicContact CG1-CG 4.02Å; A374-L380 WeakPolarHBondContact O-CA 2.58Å; N375-L380 HydrophobicContact CB-CD1 4.17Å; L380-I382 HydrophobicContact CD2-CD1 4.16Å; L380-I382 HydrophobicContact CD2-CG1 4.33Å; L380-I382 HydrophobicContact CG-CG1 4.41Å; L380-Y392 WeakPolarHBondContact O-CA 3.42Å; L380-F393 HydrophobicContact CB-CB 4.18Å; L380-F393 PolarHBondContact N-O 3.46Å; L380-F393 PolarHBondContact O-N 2.76Å; L380-L400 HydrophobicContact CB-CB 4.45Å; L380-L400 HydrophobicContact CB-CD2 3.74Å; L380-L403 HydrophobicContact CD2-CB 4.08Å; L380-L403 HydrophobicContact CD2-CD2 3.77Å; L380-L403 HydrophobicContact CD2-CG 3.88Å; L380-R404 HydrophobicContact CD1-CB 3.98Å; L380-R404 HydrophobicContact CD1-CG 4.43Å
381	E	89.5	Confident	78.9	Confident	41 Å²	41	53.8 Å²	53.8	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.4	173.2	179.2	177.5	173.1	0	0	109.1	V373 A374 K390 H391 Y392	V373-E381 WeakPolarHBondContact CA-O 3.14Å; A374-E381 HydrophobicContact CB-CB 4.39Å; A374-E381 PolarHBondContact N-O 3.13Å; A374-E381 PolarHBondContact O-N 3.29Å; E381-K390 VanDerWaalsContact OE1-CD 3.25Å; E381-K390 WeakPolarHBondContact OE1-CD 3.32Å; E381-K390 WeakPolarHBondContact OE1-CE 3.23Å; E381-K390 IonicContact OE1-NZ 3.01Å; E381-K390 PolarHBondContact OE1-NZ 2.77Å; E381-H391 CarbonylContact C-O 3.55Å; E381-H391 WeakPolarHBondContact CA-O 3.48Å; E381-Y392 HydrophobicContact CB-CD1 4.02Å; E381-Y392 HydrophobicContact CB-CE1 3.98Å; E381-Y392 HydrophobicContact CG-CD1 4.09Å; E381-Y392 HydrophobicContact CG-CE1 3.66Å
382	I	86.9	Confident	79.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.2	171.7	-59.7	169.8	0	0	0	107.7	I365 T371 C372 V373 L380 H391 F393 L403 I407	I365-I382 HydrophobicContact CG2-CG2 3.81Å; T371-I382 HydrophobicContact CG2-CG2 3.64Å; C372-I382 WeakPolarHBondContact O-CA 3.44Å; V373-I382 HydrophobicContact CG1-CG1 4.4Å; V373-I382 HydrophobicContact CG2-CG1 4.39Å; L380-I382 HydrophobicContact CD2-CD1 4.16Å; L380-I382 HydrophobicContact CD2-CG1 4.33Å; L380-I382 HydrophobicContact CG-CG1 4.41Å; I382-H391 HydrophobicContact CB-CB 4.27Å; I382-H391 PolarHBondContact N-O 2.79Å; I382-H391 WeakPolarHBondContact O-CB 3.36Å; I382-H391 PolarHBondContact O-N 2.96Å; I382-F393 HydrophobicContact CD1-CD2 3.92Å; I382-F393 HydrophobicContact CD1-CE2 3.54Å; I382-F393 HydrophobicContact CD1-CZ 4.24Å; I382-F393 HydrophobicContact CG1-CD2 4.4Å; I382-F393 HydrophobicContact CG1-CE2 4.23Å; I382-L403 HydrophobicContact CD1-CD2 4.37Å; I382-I407 HydrophobicContact CD1-CD1 3.21Å; I382-I407 HydrophobicContact CG1-CD1 4.03Å
383	C	84.8	Confident	80.6	Confident	21 Å²	21	52.8 Å²	52.8	14%	0.142	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.9	174.1	-61.5	0	0	0	0	109.7	T371 C372 S389	T371-C383 WeakPolarHBondContact CA-O 3.45Å; T371-C383 WeakPolarHBondContact CG2-O 3.37Å; C372-C383 HydrophobicContact CB-CB 4.21Å; C372-C383 PolarHBondContact O-N 3.38Å; C383-S389 WeakPolarHBondContact CA-O 3.29Å
384	S	77	Confident	81.2	Confident	5 Å²	5	53 Å²	53	4%	0.035	31%	0.311	C	S	.	.			trans	-60.7	159.5	169.5	51.7	0	0	0	0	111.4	D386 G387 S389	S384-D386 VanDerWaalsContact CB-OD1 3.3Å; S384-D386 WeakPolarHBondContact CB-OD1 3.15Å; S384-D386 PolarHBondContact O-N 3.01Å; S384-D386 PolarHBondContact OG-OD1 3.11Å; S384-G387 PolarHBondContact O-N 3.13Å; S384-S389 PolarHBondContact N-O 2.9Å; S384-S389 WeakPolarHBondContact OG-CA 3.21Å; S384-S389 VanDerWaalsContact OG-CB 3.24Å; S384-S389 WeakPolarHBondContact OG-CB 3.5Å; S384-S389 PolarHBondContact OG-N 3.42Å; S384-S389 PolarHBondContact OG-O 2.79Å; S384-S389 VanDerWaalsContact OG-O 3.06Å
385	P	71.2	Confident	81.6	Confident	34 Å²	34	51.5 Å²	51.5	22%	0.221	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.9	-178.6	-25.4	35.5	0	0	0	113.5	P366 A368 E370 G387	P366-P385 HydrophobicContact CB-CG 4.43Å; P366-P385 HydrophobicContact CG-CG 4.49Å; A368-P385 HydrophobicContact CB-CB 3.77Å; A368-P385 HydrophobicContact CB-CG 3.42Å; A368-P385 VanDerWaalsContact CB-CG 3.42Å; E370-P385 HydrophobicContact CB-CB 4.36Å; P385-G387 PolarHBondContact O-N 2.67Å
386	D	75.9	Confident	82.1	Confident	98 Å²	98	50.8 Å²	50.8	52%	0.524	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.5	176.8	63.6	3.9	0	0	0	113.9	S384 L388	S384-D386 VanDerWaalsContact CB-OD1 3.3Å; S384-D386 WeakPolarHBondContact CB-OD1 3.15Å; S384-D386 PolarHBondContact O-N 3.01Å; S384-D386 PolarHBondContact OG-OD1 3.11Å; D386-L388 HydrophobicContact CB-CD1 4.33Å; D386-L388 HydrophobicContact CB-CG 4.24Å; D386-L388 PolarHBondContact O-N 3.41Å; D386-L388 VanDerWaalsContact O-N 3.15Å; D386-L388 PolarHBondContact OD1-N 2.79Å
387	G	75.1	Confident	82.6	Confident	48 Å²	48	51.3 Å²	51.3	50%	0.495	30%	0.299	S	S	.	.	S	Bend	trans	68.1	2.3	-175.9	0	0	0	0	0	114.9	S384 P385	S384-G387 PolarHBondContact O-N 3.13Å; P385-G387 PolarHBondContact O-N 2.67Å
388	L	76.6	Confident	83.1	Confident	144 Å²	144	49.9 Å²	49.9	75%	0.754	29%	0.29	S	S	*	.			trans	-88.2	-32	-173.9	-62.9	177.3	0	0	0	112.5	D386	D386-L388 HydrophobicContact CB-CD1 4.33Å; D386-L388 HydrophobicContact CB-CG 4.24Å; D386-L388 PolarHBondContact O-N 3.41Å; D386-L388 VanDerWaalsContact O-N 3.15Å; D386-L388 PolarHBondContact OD1-N 2.79Å
389	S	81.4	Confident	83.2	Confident	53 Å²	53	45.4 Å²	45.4	37%	0.371	27%	0.266	S	S	.	.			trans	-106.3	126.2	-178.4	-52.4	0	0	0	0	110.7	C383 S384	C383-S389 WeakPolarHBondContact CA-O 3.29Å; S384-S389 PolarHBondContact N-O 2.9Å; S384-S389 WeakPolarHBondContact OG-CA 3.21Å; S384-S389 VanDerWaalsContact OG-CB 3.24Å; S384-S389 WeakPolarHBondContact OG-CB 3.5Å; S384-S389 PolarHBondContact OG-N 3.42Å; S384-S389 PolarHBondContact OG-O 2.79Å; S384-S389 VanDerWaalsContact OG-O 3.06Å
390	K	87.2	Confident	83.1	Confident	109 Å²	109	42.4 Å²	42.4	47%	0.474	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127	176	-65	-178.6	169.1	-137.1	0	109.5	E381 Y392	E381-K390 VanDerWaalsContact OE1-CD 3.25Å; E381-K390 WeakPolarHBondContact OE1-CD 3.32Å; E381-K390 WeakPolarHBondContact OE1-CE 3.23Å; E381-K390 IonicContact OE1-NZ 3.01Å; E381-K390 PolarHBondContact OE1-NZ 2.77Å; K390-Y392 HydrophobicContact CB-CE2 3.74Å; K390-Y392 WeakPolarHBondContact CD-OH 3.5Å
391	H	89.3	Confident	82.7	Confident	20 Å²	20	45.4 Å²	45.4	9%	0.093	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.5	-177.6	-63	-79.9	0	0	0	108.6	Y330 I365 E381 I382 F393	Y330-H391 HydrophobicContact CE2-CB 4.01Å; Y330-H391 AromaticContact CE2-ND1 3.92Å; Y330-H391 AromaticContact CZ-ND1 3.76Å; Y330-H391 PolarHBondContact OH-ND1 3.33Å; I365-H391 HydrophobicContact CD1-CB 3.57Å; I365-H391 VanDerWaalsContact CD1-CG 3.44Å; I365-H391 HydrophobicContact CG1-CB 4.38Å; E381-H391 CarbonylContact C-O 3.55Å; E381-H391 WeakPolarHBondContact CA-O 3.48Å; I382-H391 HydrophobicContact CB-CB 4.27Å; I382-H391 PolarHBondContact N-O 2.79Å; I382-H391 WeakPolarHBondContact O-CB 3.36Å; I382-H391 PolarHBondContact O-N 2.96Å; H391-F393 HydrophobicContact CB-CE2 3.88Å
392	Y	91.1	Very high	82.1	Confident	64 Å²	64	50.2 Å²	50.2	25%	0.251	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.1	-174.3	-62.3	-80.9	0	0	0	110.2	L331 L379 L380 E381 K390	L331-Y392 HydrophobicContact CD2-CD2 4.34Å; L331-Y392 HydrophobicContact CD2-CG 4.41Å; L331-Y392 PolarHBondContact N-O 3Å; L379-Y392 HydrophobicContact CD1-CD1 4.42Å; L379-Y392 HydrophobicContact CD2-CD1 4.08Å; L379-Y392 HydrophobicContact CG-CD1 4.39Å; L380-Y392 WeakPolarHBondContact O-CA 3.42Å; E381-Y392 HydrophobicContact CB-CD1 4.02Å; E381-Y392 HydrophobicContact CB-CE1 3.98Å; E381-Y392 HydrophobicContact CG-CD1 4.09Å; E381-Y392 HydrophobicContact CG-CE1 3.66Å; K390-Y392 HydrophobicContact CB-CE2 3.74Å; K390-Y392 WeakPolarHBondContact CD-OH 3.5Å
393	F	89.9	Confident	81.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.5	178.4	-61.5	-101.4	0	0	0	109.8	L328 G329 Y330 I340 V351 I365 L379 L380 I382 H391 L400 L403	L328-F393 HydrophobicContact CD1-CD1 4.48Å; G329-F393 CarbonylContact O-C 3.48Å; G329-F393 VanDerWaalsContact O-CA 3.26Å; G329-F393 WeakPolarHBondContact O-CA 3.26Å; Y330-F393 HydrophobicContact CD2-CD1 4.19Å; Y330-F393 AromaticContact CD2-CE1 3.82Å; Y330-F393 HydrophobicContact CD2-CE1 3.82Å; Y330-F393 HydrophobicContact CD2-CE2 4.17Å; Y330-F393 AromaticContact CD2-CZ 3.82Å; Y330-F393 HydrophobicContact CD2-CZ 3.82Å; Y330-F393 HydrophobicContact CE2-CE1 4.48Å; Y330-F393 HydrophobicContact CE2-CE2 4.21Å; Y330-F393 HydrophobicContact CE2-CZ 4.04Å; I340-F393 HydrophobicContact CD1-CD1 3.76Å; I340-F393 HydrophobicContact CD1-CE1 3.9Å; V351-F393 HydrophobicContact CG1-CE1 4.2Å; V351-F393 HydrophobicContact CG2-CE1 3.74Å; V351-F393 HydrophobicContact CG2-CZ 3.57Å; I365-F393 HydrophobicContact CD1-CE2 3.8Å; I365-F393 HydrophobicContact CD1-CZ 3.6Å; L379-F393 CarbonylContact C-O 3.51Å; L379-F393 WeakPolarHBondContact CA-O 3.21Å; L380-F393 HydrophobicContact CB-CB 4.18Å; L380-F393 PolarHBondContact N-O 3.46Å; L380-F393 PolarHBondContact O-N 2.76Å; I382-F393 HydrophobicContact CD1-CD2 3.92Å; I382-F393 HydrophobicContact CD1-CE2 3.54Å; I382-F393 HydrophobicContact CD1-CZ 4.24Å; I382-F393 HydrophobicContact CG1-CD2 4.4Å; I382-F393 HydrophobicContact CG1-CE2 4.23Å; H391-F393 HydrophobicContact CB-CE2 3.88Å; F393-L400 HydrophobicContact CB-CD2 3.94Å; F393-L403 HydrophobicContact CD1-CD2 3.82Å; F393-L403 HydrophobicContact CD2-CD2 4.37Å; F393-L403 HydrophobicContact CE1-CD2 4.01Å; F393-L403 HydrophobicContact CG-CD2 4Å; F393-L403 HydrophobicContact CZ-CD2 4.38Å
394	T	88.7	Confident	81.6	Confident	31 Å²	31	53.2 Å²	53.2	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	157.5	177.3	57.1	0	0	0	0	108.6	L328 G329 M338 L379	L328-T394 CarbonylContact C-O 3.43Å; L328-T394 WeakPolarHBondContact CA-O 3.48Å; G329-T394 PolarHBondContact N-O 3.45Å; G329-T394 PolarHBondContact O-N 3.1Å; G329-T394 PolarHBondContact O-OG1 2.89Å; M338-T394 VanDerWaalsContact CE-OG1 3.3Å; M338-T394 WeakPolarHBondContact CE-OG1 3.08Å; L379-T394 HydrophobicContact CD1-CG2 3.65Å
395	G	85.4	Confident	81.5	Confident	22 Å²	22	58.7 Å²	58.7	23%	0.227	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-166.5	-179.8	0	0	0	0	0	112.5	S327	S327-G395 WeakPolarHBondContact O-CA 3.21Å
396	S	83.4	Confident	81.5	Confident	45 Å²	45	57.9 Å²	57.9	32%	0.315	31%	0.312	S	S	.	.			trans	-63.3	144.2	174.8	72	0	0	0	0	111	T398 A399 L400	S396-T398 PolarHBondContact O-N 3.25Å; S396-T398 VanDerWaalsContact O-N 3.11Å; S396-A399 PolarHBondContact O-N 3.41Å; S396-A399 VanDerWaalsContact OG-CB 3.31Å; S396-A399 WeakPolarHBondContact OG-CB 3.5Å; S396-A399 PolarHBondContact OG-N 2.98Å; S396-A399 VanDerWaalsContact OG-N 3.13Å; S396-L400 PolarHBondContact O-N 3.3Å
397	P	81.7	Confident	81.6	Confident	68 Å²	68	53.2 Å²	53.2	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-53.7	-34.3	175.2	-28.5	34.9	0	0	0	112.7	N401	P397-N401 VanDerWaalsContact O-CB 3.27Å; P397-N401 WeakPolarHBondContact O-CB 3.39Å; P397-N401 PolarHBondContact O-N 3.14Å; P397-N401 PolarHBondContact O-ND2 3.1Å; P397-N401 VanDerWaalsContact O-ND2 3.13Å
398	T	79.3	Confident	81.5	Confident	84 Å²	84	54.6 Å²	54.6	52%	0.515	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-43.7	175.6	-50.6	0	0	0	0	112.4	S396 R402	S396-T398 PolarHBondContact O-N 3.25Å; S396-T398 VanDerWaalsContact O-N 3.11Å; T398-R402 WeakPolarHBondContact O-CG 3.47Å; T398-R402 PolarHBondContact O-N 3.12Å
399	A	79.7	Confident	81	Confident	3 Å²	3	49.5 Å²	49.5	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-42	179.2	0	0	0	0	0	112	S327 L328 S396 R402 L403	S327-A399 WeakPolarHBondContact OG-CB 3.47Å; L328-A399 HydrophobicContact CD2-CB 3.56Å; L328-A399 HydrophobicContact CG-CB 4.02Å; S396-A399 PolarHBondContact O-N 3.41Å; S396-A399 VanDerWaalsContact OG-CB 3.31Å; S396-A399 WeakPolarHBondContact OG-CB 3.5Å; S396-A399 PolarHBondContact OG-N 2.98Å; S396-A399 VanDerWaalsContact OG-N 3.13Å; A399-R402 PolarHBondContact O-N 3.38Å; A399-L403 PolarHBondContact O-N 3.17Å
400	L	83.2	Confident	80.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-42.5	176	-64.2	173.9	0	0	0	111.5	L328 L380 F393 S396 L403 R404	L328-L400 HydrophobicContact CD2-CD2 3.62Å; L328-L400 HydrophobicContact CD2-CG 4.14Å; L380-L400 HydrophobicContact CB-CB 4.45Å; L380-L400 HydrophobicContact CB-CD2 3.74Å; F393-L400 HydrophobicContact CB-CD2 3.94Å; S396-L400 PolarHBondContact O-N 3.3Å; L400-L403 PolarHBondContact O-N 2.9Å; L400-R404 WeakPolarHBondContact O-CB 3.46Å; L400-R404 PolarHBondContact O-N 2.78Å
401	N	80.1	Confident	79.4	Confident	63 Å²	63	43.5 Å²	43.5	34%	0.337	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-41.4	175.6	-75.8	-27	0	0	0	112.2	N375 P397 L403 R404 E405	N375-N401 PolarHBondContact ND2-OD1 3.46Å; N375-N401 VanDerWaalsContact ND2-OD1 3.15Å; P397-N401 VanDerWaalsContact O-CB 3.27Å; P397-N401 WeakPolarHBondContact O-CB 3.39Å; P397-N401 PolarHBondContact O-N 3.14Å; P397-N401 PolarHBondContact O-ND2 3.1Å; P397-N401 VanDerWaalsContact O-ND2 3.13Å; N401-L403 VanDerWaalsContact C-N 3.35Å; N401-L403 PolarHBondContact O-N 2.95Å; N401-R404 PolarHBondContact O-N 3.38Å; N401-E405 WeakPolarHBondContact O-CB 3.29Å; N401-E405 WeakPolarHBondContact O-CG 3.27Å; N401-E405 PolarHBondContact O-N 3.36Å
402	R	76.9	Confident	78.2	Confident	142 Å²	142	44.3 Å²	44.3	54%	0.536	23%	0.23	S	C	.	.	H	α-helix	trans	-59.8	-43.8	174.8	-75.1	176	-171.4	177.8	4.9	112.2	T398 A399 A406	T398-R402 WeakPolarHBondContact O-CG 3.47Å; T398-R402 PolarHBondContact O-N 3.12Å; A399-R402 PolarHBondContact O-N 3.38Å; R402-A406 WeakPolarHBondContact O-CB 3.48Å; R402-A406 PolarHBondContact O-N 3.41Å
403	L	80.1	Confident	76.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-45.5	177.3	-177.5	58.1	0	0	0	111.8	V323 L328 C342 V349 L380 I382 F393 A399 L400 N401 A406 I407	V323-L403 HydrophobicContact CB-CD1 4.31Å; V323-L403 HydrophobicContact CG1-CB 4.33Å; V323-L403 HydrophobicContact CG1-CD1 3.96Å; L328-L403 HydrophobicContact CD1-CB 4.37Å; L328-L403 HydrophobicContact CD1-CD2 3.79Å; C342-L403 HydrophobicContact CB-CD1 4.13Å; V349-L403 HydrophobicContact CG1-CD1 4.41Å; L380-L403 HydrophobicContact CD2-CB 4.08Å; L380-L403 HydrophobicContact CD2-CD2 3.77Å; L380-L403 HydrophobicContact CD2-CG 3.88Å; I382-L403 HydrophobicContact CD1-CD2 4.37Å; F393-L403 HydrophobicContact CD1-CD2 3.82Å; F393-L403 HydrophobicContact CD2-CD2 4.37Å; F393-L403 HydrophobicContact CE1-CD2 4.01Å; F393-L403 HydrophobicContact CG-CD2 4Å; F393-L403 HydrophobicContact CZ-CD2 4.38Å; A399-L403 PolarHBondContact O-N 3.17Å; L400-L403 PolarHBondContact O-N 2.9Å; N401-L403 VanDerWaalsContact C-N 3.35Å; N401-L403 PolarHBondContact O-N 2.95Å; L403-A406 PolarHBondContact O-N 3.09Å; L403-I407 HydrophobicContact CD1-CD1 4.02Å; L403-I407 HydrophobicContact CD1-CG1 4.37Å; L403-I407 HydrophobicContact CG-CD1 4Å; L403-I407 WeakPolarHBondContact O-CG1 3.35Å; L403-I407 PolarHBondContact O-N 3.13Å
404	R	81.2	Confident	75.2	Confident	85 Å²	85	43 Å²	43	32%	0.321	23%	0.231	S	C	.	.	H	α-helix	trans	-57.6	-51.5	175.2	179.3	-179	178.4	-177	4.6	112.1	V373 L380 L400 N401 A406 I407 Q408	V373-R404 HydrophobicContact CG1-CB 4.25Å; V373-R404 HydrophobicContact CG1-CG 3.87Å; L380-R404 HydrophobicContact CD1-CB 3.98Å; L380-R404 HydrophobicContact CD1-CG 4.43Å; L400-R404 WeakPolarHBondContact O-CB 3.46Å; L400-R404 PolarHBondContact O-N 2.78Å; N401-R404 PolarHBondContact O-N 3.38Å; R404-A406 VanDerWaalsContact C-N 3.28Å; R404-A406 PolarHBondContact O-N 3.36Å; R404-I407 PolarHBondContact O-N 2.93Å; R404-Q408 HydrophobicContact CG-CG 4.42Å; R404-Q408 WeakPolarHBondContact O-CB 2.87Å; R404-Q408 WeakPolarHBondContact O-CG 2.89Å; R404-Q408 PolarHBondContact O-N 3.17Å
405	E	74.8	Confident	73.8	Confident	120 Å²	120	47.6 Å²	47.6	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-59.4	-41.6	-179.7	-76.4	175.2	-173.2	0	0	111.3	N401 Q408 L409	N401-E405 WeakPolarHBondContact O-CB 3.29Å; N401-E405 WeakPolarHBondContact O-CG 3.27Å; N401-E405 PolarHBondContact O-N 3.36Å; E405-Q408 PolarHBondContact O-N 3.3Å; E405-L409 WeakPolarHBondContact O-CB 3.09Å; E405-L409 PolarHBondContact O-N 3.16Å
406	A	71.8	Confident	72.2	Confident	16 Å²	16	48.9 Å²	48.9	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-40.2	179.4	0	0	0	0	0	112.6	V323 L344 R402 L403 R404 L409 Q410	V323-A406 HydrophobicContact CB-CB 4.35Å; V323-A406 HydrophobicContact CG1-CB 3.45Å; V323-A406 VanDerWaalsContact CG1-CB 3.45Å; V323-A406 HydrophobicContact CG2-CB 3.86Å; L344-A406 HydrophobicContact CD2-CB 3.85Å; R402-A406 WeakPolarHBondContact O-CB 3.48Å; R402-A406 PolarHBondContact O-N 3.41Å; L403-A406 PolarHBondContact O-N 3.09Å; R404-A406 VanDerWaalsContact C-N 3.28Å; R404-A406 PolarHBondContact O-N 3.36Å; A406-L409 PolarHBondContact O-N 2.83Å; A406-Q410 PolarHBondContact O-N 3.09Å; A406-Q410 VanDerWaalsContact O-N 3.09Å
407	I	76.5	Confident	70.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-45.8	175.4	-67.4	164.8	0	0	0	110.7	L344 V349 L367 V373 I382 L403 R404 L409 Q410 Q411	L344-I407 HydrophobicContact CD1-CG1 4.49Å; V349-I407 HydrophobicContact CG2-CD1 4.12Å; V349-I407 HydrophobicContact CG2-CG1 3.95Å; L367-I407 HydrophobicContact CD1-CG1 4.42Å; L367-I407 HydrophobicContact CD1-CG2 4.38Å; L367-I407 HydrophobicContact CD2-CG1 4.35Å; L367-I407 HydrophobicContact CD2-CG2 3.72Å; V373-I407 HydrophobicContact CG2-CB 4.36Å; V373-I407 HydrophobicContact CG2-CD1 4.47Å; V373-I407 HydrophobicContact CG2-CG2 3.67Å; I382-I407 HydrophobicContact CD1-CD1 3.21Å; I382-I407 HydrophobicContact CG1-CD1 4.03Å; L403-I407 HydrophobicContact CD1-CD1 4.02Å; L403-I407 HydrophobicContact CD1-CG1 4.37Å; L403-I407 HydrophobicContact CG-CD1 4Å; L403-I407 WeakPolarHBondContact O-CG1 3.35Å; L403-I407 PolarHBondContact O-N 3.13Å; R404-I407 PolarHBondContact O-N 2.93Å; I407-L409 VanDerWaalsContact C-N 3.26Å; I407-L409 PolarHBondContact O-N 3.45Å; I407-Q410 PolarHBondContact O-N 2.77Å; I407-Q410 VanDerWaalsContact O-N 3.1Å; I407-Q411 HydrophobicContact CG2-CG 4.4Å; I407-Q411 WeakPolarHBondContact O-CG 3.41Å; I407-Q411 PolarHBondContact O-N 2.92Å
408	Q	74.4	Confident	69.3	Low	78 Å²	78	50.6 Å²	50.6	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-58.7	-41.2	177.2	-74.3	179.4	-26.5	0	0	111.4	R404 E405 Q410 Q411 C412	R404-Q408 HydrophobicContact CG-CG 4.42Å; R404-Q408 WeakPolarHBondContact O-CB 2.87Å; R404-Q408 WeakPolarHBondContact O-CG 2.89Å; R404-Q408 PolarHBondContact O-N 3.17Å; E405-Q408 PolarHBondContact O-N 3.3Å; Q408-Q410 PolarHBondContact O-N 3.17Å; Q408-Q411 PolarHBondContact O-N 3.38Å; Q408-C412 PolarHBondContact O-N 2.64Å; Q408-C412 PolarHBondContact O-SG 3.32Å; Q408-C412 VanDerWaalsContact O-SG 3.38Å
409	L	64.9	Low	67.7	Low	37 Å²	37	52 Å²	52	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-45.2	174.7	-165.7	107.2	0	0	0	111.7	L140 P141 E405 A406 I407 Q411 C412 T413	L140-L409 HydrophobicContact CD2-CD1 4.28Å; P141-L409 HydrophobicContact CG-CD1 3.9Å; E405-L409 WeakPolarHBondContact O-CB 3.09Å; E405-L409 PolarHBondContact O-N 3.16Å; A406-L409 PolarHBondContact O-N 2.83Å; I407-L409 VanDerWaalsContact C-N 3.26Å; I407-L409 PolarHBondContact O-N 3.45Å; L409-Q411 PolarHBondContact O-N 3.43Å; L409-C412 WeakPolarHBondContact O-CB 3.41Å; L409-C412 PolarHBondContact O-N 2.84Å; L409-T413 PolarHBondContact O-N 3.18Å; L409-T413 PolarHBondContact O-OG1 3.43Å; L409-T413 VanDerWaalsContact O-OG1 3.12Å
410	Q	67.8	Low	66	Low	11 Å²	11	56.8 Å²	56.8	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-38.1	176.6	-79	-67.7	-2.2	0	0	112.8	H318 L344 L367 A406 I407 Q408 C412 T413 A414	H318-Q410 PolarHBondContact CE1-OE1 2.89Å; H318-Q410 PolarHBondContact ND1-NE2 2.89Å; H318-Q410 VanDerWaalsContact ND1-NE2 3.12Å; L344-Q410 HydrophobicContact CD1-CG 3.82Å; L344-Q410 HydrophobicContact CD2-CG 3.41Å; L344-Q410 VanDerWaalsContact CD2-CG 3.41Å; L344-Q410 HydrophobicContact CG-CG 3.67Å; L367-Q410 HydrophobicContact CD1-CB 4.1Å; A406-Q410 PolarHBondContact O-N 3.09Å; A406-Q410 VanDerWaalsContact O-N 3.09Å; I407-Q410 PolarHBondContact O-N 2.77Å; I407-Q410 VanDerWaalsContact O-N 3.1Å; Q408-Q410 PolarHBondContact O-N 3.17Å; Q410-C412 VanDerWaalsContact C-N 3.33Å; Q410-C412 PolarHBondContact O-N 3.19Å; Q410-T413 CarbonylContact O-C 3.53Å; Q410-T413 PolarHBondContact O-N 2.9Å; Q410-A414 WeakPolarHBondContact O-CB 3.24Å; Q410-A414 PolarHBondContact O-N 2.63Å
411	Q	67.6	Low	63.9	Low	25 Å²	25	58.7 Å²	58.7	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-37.6	174.5	-68.3	-176.6	-52.1	0	0	112.2	A368 T371 I407 Q408 L409 T413 A414 R415	A368-Q411 PolarHBondContact O-NE2 2.96Å; T371-Q411 PolarHBondContact O-NE2 3.23Å; I407-Q411 HydrophobicContact CG2-CG 4.4Å; I407-Q411 WeakPolarHBondContact O-CG 3.41Å; I407-Q411 PolarHBondContact O-N 2.92Å; Q408-Q411 PolarHBondContact O-N 3.38Å; L409-Q411 PolarHBondContact O-N 3.43Å; Q411-T413 VanDerWaalsContact C-N 3.32Å; Q411-A414 PolarHBondContact O-N 3.09Å; Q411-R415 WeakPolarHBondContact O-CG 3.24Å; Q411-R415 PolarHBondContact O-N 2.8Å
412	C	63.5	Low	61.8	Low	36 Å²	36	57.5 Å²	57.5	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-41.3	171	-71.9	0	0	0	0	111.2	Q408 L409 Q410 R415 M416	Q408-C412 PolarHBondContact O-N 2.64Å; Q408-C412 PolarHBondContact O-SG 3.32Å; Q408-C412 VanDerWaalsContact O-SG 3.38Å; L409-C412 WeakPolarHBondContact O-CB 3.41Å; L409-C412 PolarHBondContact O-N 2.84Å; Q410-C412 VanDerWaalsContact C-N 3.33Å; Q410-C412 PolarHBondContact O-N 3.19Å; C412-R415 PolarHBondContact O-N 2.79Å; C412-M416 WeakPolarHBondContact O-CG 3.33Å; C412-M416 PolarHBondContact O-N 3.3Å
413	T	58.4	Low	59.6	Low	8 Å²	8	56.1 Å²	56.1	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-40.5	175.5	-51.5	0	0	0	0	112.5	F316 H318 L409 Q410 Q411 R415 M416 N417	F316-T413 HydrophobicContact CB-CG2 4.33Å; F316-T413 HydrophobicContact CD2-CG2 3.38Å; F316-T413 HydrophobicContact CE2-CG2 3.75Å; F316-T413 HydrophobicContact CG-CG2 3.88Å; H318-T413 WeakPolarHBondContact CE1-CG2 3.5Å; H318-T413 WeakPolarHBondContact NE2-CG2 3.34Å; L409-T413 PolarHBondContact O-N 3.18Å; L409-T413 PolarHBondContact O-OG1 3.43Å; L409-T413 VanDerWaalsContact O-OG1 3.12Å; Q410-T413 CarbonylContact O-C 3.53Å; Q410-T413 PolarHBondContact O-N 2.9Å; Q411-T413 VanDerWaalsContact C-N 3.32Å; T413-R415 PolarHBondContact O-N 3.26Å; T413-M416 PolarHBondContact O-N 3.14Å; T413-N417 VanDerWaalsContact O-CG 3.29Å; T413-N417 PolarHBondContact O-N 2.95Å; T413-N417 PolarHBondContact O-ND2 3.49Å
414	A	60.1	Low	57.3	Low	29 Å²	29	60.1 Å²	60.1	24%	0.24	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-42.3	175.4	0	0	0	0	0	111.8	Q410 Q411 M416 N417 D418	Q410-A414 WeakPolarHBondContact O-CB 3.24Å; Q410-A414 PolarHBondContact O-N 2.63Å; Q411-A414 PolarHBondContact O-N 3.09Å; A414-M416 VanDerWaalsContact C-N 3.33Å; A414-M416 PolarHBondContact O-N 2.66Å; A414-N417 WeakPolarHBondContact O-CB 3.49Å; A414-N417 PolarHBondContact O-N 2.99Å; A414-N417 VanDerWaalsContact O-N 3.07Å; A414-D418 PolarHBondContact O-N 3.03Å
415	R	59.4	Low	54.6	Low	128 Å²	128	61.3 Å²	61.3	48%	0.483	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-44.9	171.9	-78.5	176.9	-174.4	-173.6	4.3	112.1	L369 Q411 C412 T413 N417 D418 D419	L369-R415 HydrophobicContact CD1-CB 4.35Å; L369-R415 HydrophobicContact CD1-CG 3.44Å; L369-R415 VanDerWaalsContact CD1-CG 3.44Å; L369-R415 HydrophobicContact CD2-CG 3.84Å; L369-R415 HydrophobicContact CG-CG 3.6Å; Q411-R415 WeakPolarHBondContact O-CG 3.24Å; Q411-R415 PolarHBondContact O-N 2.8Å; C412-R415 PolarHBondContact O-N 2.79Å; T413-R415 PolarHBondContact O-N 3.26Å; R415-N417 VanDerWaalsContact C-N 3.3Å; R415-N417 PolarHBondContact O-N 3.28Å; R415-D418 PolarHBondContact O-N 3.05Å; R415-D419 WeakPolarHBondContact O-CB 3.19Å; R415-D419 PolarHBondContact O-N 3.05Å
416	M	52.1	Low	52.1	Low	49 Å²	49	60.5 Å²	60.5	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-39.2	174.4	-70.1	-168.3	-167.4	0	0	111.3	F316 C412 T413 A414 D418 D419 Y420	F316-M416 HydrophobicContact CZ-SD 4.42Å; C412-M416 WeakPolarHBondContact O-CG 3.33Å; C412-M416 PolarHBondContact O-N 3.3Å; T413-M416 PolarHBondContact O-N 3.14Å; A414-M416 VanDerWaalsContact C-N 3.33Å; A414-M416 PolarHBondContact O-N 2.66Å; M416-D418 PolarHBondContact O-N 2.97Å; M416-D419 PolarHBondContact O-N 2.76Å; M416-Y420 HydrophobicContact CB-CD2 4.02Å; M416-Y420 HydrophobicContact CB-CE2 4.41Å; M416-Y420 HydrophobicContact CG-CD2 4.43Å; M416-Y420 HydrophobicContact CG-CE2 4.32Å; M416-Y420 WeakPolarHBondContact O-CA 3.06Å; M416-Y420 WeakPolarHBondContact O-CB 3.48Å; M416-Y420 WeakPolarHBondContact O-CD2 3.48Å; M416-Y420 PolarHBondContact O-N 3.47Å
417	N	52.3	Low	49.8	Very low	25 Å²	25	65.6 Å²	65.6	13%	0.134	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-36.8	177.9	-67.6	-25.1	0	0	0	112.9	T413 A414 R415 G421 L422	T413-N417 VanDerWaalsContact O-CG 3.29Å; T413-N417 PolarHBondContact O-N 2.95Å; T413-N417 PolarHBondContact O-ND2 3.49Å; A414-N417 WeakPolarHBondContact O-CB 3.49Å; A414-N417 PolarHBondContact O-N 2.99Å; A414-N417 VanDerWaalsContact O-N 3.07Å; R415-N417 VanDerWaalsContact C-N 3.3Å; R415-N417 PolarHBondContact O-N 3.28Å; N417-G421 WeakPolarHBondContact O-CA 3.38Å; N417-G421 PolarHBondContact O-N 2.98Å; N417-L422 HydrophobicContact CB-CB 4.33Å; N417-L422 PolarHBondContact O-N 2.77Å; N417-L422 WeakPolarHBondContact OD1-CB 3.29Å; N417-L422 VanDerWaalsContact OD1-CD1 3.29Å; N417-L422 WeakPolarHBondContact OD1-CD1 3.3Å
418	D	51.5	Low	47.1	Very low	124 Å²	124	75.2 Å²	75.2	66%	0.663	39%	0.389	S	S	*	.	H	α-helix	trans	-72.2	-42.1	176.6	-76.5	-21.8	0	0	0	112.1	A414 R415 M416	A414-D418 PolarHBondContact O-N 3.03Å; R415-D418 PolarHBondContact O-N 3.05Å; M416-D418 PolarHBondContact O-N 2.97Å
419	D	45.4	Very low	44.8	Very low	113 Å²	113	83.4 Å²	83.4	60%	0.604	43%	0.434	S	S	*	.	H	α-helix	trans	-72.7	-29.8	178.7	-74.3	-27.9	0	0	0	112.5	R415 M416	R415-D419 WeakPolarHBondContact O-CB 3.19Å; R415-D419 PolarHBondContact O-N 3.05Å; M416-D419 PolarHBondContact O-N 2.76Å
420	Y	44.2	Very low	43.8	Very low	104 Å²	104	85.7 Å²	85.7	41%	0.408	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	16.9	-175.4	-58.1	-76	0	0	0	114.5	R284 M416 L422	R284-Y420 CarbonylContact O-C 3.57Å; M416-Y420 HydrophobicContact CB-CD2 4.02Å; M416-Y420 HydrophobicContact CB-CE2 4.41Å; M416-Y420 HydrophobicContact CG-CD2 4.43Å; M416-Y420 HydrophobicContact CG-CE2 4.32Å; M416-Y420 WeakPolarHBondContact O-CA 3.06Å; M416-Y420 WeakPolarHBondContact O-CB 3.48Å; M416-Y420 WeakPolarHBondContact O-CD2 3.48Å; M416-Y420 PolarHBondContact O-N 3.47Å; Y420-L422 PolarHBondContact O-N 2.7Å
421	G	37.8	Very low	42.5	Very low	40 Å²	40	89.6 Å²	89.6	41%	0.412	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	31.8	167.7	0	0	0	0	0	115.8	N417 V423	N417-G421 WeakPolarHBondContact O-CA 3.38Å; N417-G421 PolarHBondContact O-N 2.98Å; G421-V423 PolarHBondContact O-N 3.44Å
422	L	37.9	Very low	41.1	Very low	37 Å²	37	93.2 Å²	93.2	19%	0.194	49%	0.487	C	S	.	.			trans	-76.4	87.6	-177.2	-75.3	165.1	0	0	0	110.4	L314 N417 Y420 F424	L314-L422 HydrophobicContact CB-CD1 4.46Å; L314-L422 HydrophobicContact CB-CD2 4.47Å; N417-L422 HydrophobicContact CB-CB 4.33Å; N417-L422 PolarHBondContact O-N 2.77Å; N417-L422 WeakPolarHBondContact OD1-CB 3.29Å; N417-L422 VanDerWaalsContact OD1-CD1 3.29Å; N417-L422 WeakPolarHBondContact OD1-CD1 3.3Å; Y420-L422 PolarHBondContact O-N 2.7Å; L422-F424 PolarHBondContact O-N 3.12Å
423	V	29.6	Very low	39.8	Very low	113 Å²	113	96.6 Å²	96.6	69%	0.685	50%	0.501	S	S	*	.			trans	-74.8	112.5	174.1	-178.9	0	0	0	0	109.8	G421 I425	G421-V423 PolarHBondContact O-N 3.44Å; V423-I425 HydrophobicContact CG1-CG1 4.43Å; V423-I425 PolarHBondContact O-N 2.96Å
424	F	31.6	Very low	38.7	Very low	84 Å²	84	102.1 Å²	102.1	37%	0.368	53%	0.529	S	S	.	.			trans	-74.6	110.6	165.6	-71.2	-89.7	0	0	0	109.7	C315 L422	C315-F424 HydrophobicContact CB-CE1 4.05Å; L422-F424 PolarHBondContact O-N 3.12Å
425	I	24	Very low	37.2	Very low	111 Å²	111	107 Å²	107	57%	0.569	55%	0.548	S	S	*	.			trans	-88.6	102.8	157.8	-59.3	176.7	0	0	0	106.1	V423 V427	V423-I425 HydrophobicContact CG1-CG1 4.43Å; V423-I425 PolarHBondContact O-N 2.96Å; I425-V427 HydrophobicContact CG2-CG2 3.89Å; I425-V427 PolarHBondContact O-N 2.72Å; I425-V427 VanDerWaalsContact O-N 3.16Å
426	V	23.8	Very low	35.6	Very low	103 Å²	103	105.5 Å²	105.5	62%	0.624	55%	0.553	S	S	*	*			trans	-70.2	103.4	164	179.9	0	0	0	0	106.7	Y428	V426-Y428 HydrophobicContact CG1-CD2 3.87Å; V426-Y428 HydrophobicContact CG1-CE2 3.67Å
427	V	22.3	Very low	34.4	Very low	122 Å²	122	109.8 Å²	109.8	74%	0.739	58%	0.577	S	S	*	*			trans	-84.8	108.8	163.9	-178.4	0	0	0	0	106.1	I425	I425-V427 HydrophobicContact CG2-CG2 3.89Å; I425-V427 PolarHBondContact O-N 2.72Å; I425-V427 VanDerWaalsContact O-N 3.16Å
428	Y	21.2	Very low	32.9	Very low	202 Å²	202	116.9 Å²	116.9	79%	0.792	61%	0.614	S	S	*	*			trans	-66.2	139.6	162.6	-75.7	-92.4	0	0	0	108.3	V426	V426-Y428 HydrophobicContact CG1-CD2 3.87Å; V426-Y428 HydrophobicContact CG1-CE2 3.67Å
429	L	25.5	Very low	31.2	Very low	250 Å²	250	116.3 Å²	116.3	100%	1.309	61%	0.61	S	S	*	*			trans	-41.6	0	177.7	-78	162.1	0	0	0	113.8

Retrieved 429 of 429 residues in 793 ms (Link to these results)

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