A0A3Q0KMJ9_SCHMA Loading...

P53 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 431 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	42.6	Very low	43	Very low	235 Å²	235	167.4 Å²	167.4	100%	1.158	84%	0.838	S	S	*	*				0	107.6	0	-71.2	-173.8	-176.9	0	0	107.4
2	D	43.5	Very low	43.3	Very low	145 Å²	145	170 Å²	170	78%	0.775	84%	0.84	S	S	*	*			trans	66	85.9	149.1	-50.3	-21.3	0	0	0	120.6
3	T	36.1	Very low	43.7	Very low	124 Å²	124	170.6 Å²	170.6	76%	0.761	84%	0.839	S	S	*	*				39.4	105.8	121.9	37.9	0	0	0	0	119.3
4	K	48.6	Very low	43.9	Very low	202 Å²	202	167.5 Å²	167.5	88%	0.878	83%	0.828	S	S	*	*			trans	-147.4	76.2	148.4	-150.3	172.4	-171.2	175	0	110.7
5	F	41.5	Very low	44.1	Very low	195 Å²	195	166.8 Å²	166.8	86%	0.855	83%	0.829	S	S	*	*			trans	-84.9	114.9	168.1	-82.2	-85.5	0	0	0	109.1
6	K	44	Very low	44.5	Very low	189 Å²	189	165.1 Å²	165.1	82%	0.822	82%	0.823	S	S	*	*			trans	-88.8	117.9	158	-88.8	-178.2	171	-176	0	106.6
7	L	38	Very low	44.7	Very low	159 Å²	159	164.6 Å²	164.6	83%	0.832	82%	0.818	S	S	*	*			trans	-91.3	111.6	164.8	-93.9	148.8	0	0	0	107.8
8	I	38.8	Very low	44.7	Very low	147 Å²	147	163.7 Å²	163.7	75%	0.754	82%	0.816	S	S	*	*			trans	-102.3	128.1	151.7	-69.2	164.5	0	0	0	102.9
9	D	44.9	Very low	44.9	Very low	128 Å²	128	159.2 Å²	159.2	68%	0.684	80%	0.802	S	S	*	*			trans	173.4	109.8	160.1	-87.5	-14.7	0	0	0	105.4
10	D	44.1	Very low	45.1	Very low	142 Å²	142	156.6 Å²	156.6	76%	0.759	79%	0.789	S	S	*	*				92.8	107.8	92.8	-94.5	-13	0	0	0	109.6
11	D	50.6	Low	45.7	Very low	175 Å²	175	154.6 Å²	154.6	94%	0.936	78%	0.781	S	S	*	*			trans	-176.6	83.9	149.5	-88.9	-23.1	0	0	0	107.3
12	K	47.1	Very low	46.1	Very low	199 Å²	199	147.8 Å²	147.8	87%	0.865	75%	0.752	S	S	*	*			trans	-129.7	74.3	177.2	-163.8	-170.4	-166.5	-172.7	0	107
13	E	47.8	Very low	46.6	Very low	178 Å²	178	145.4 Å²	145.4	83%	0.832	74%	0.737	S	S	*	*			trans	-163.8	134	168.8	-111.8	162	-148	0	0	112.7
14	N	46.8	Very low	47.7	Very low	127 Å²	127	144.7 Å²	144.7	68%	0.679	73%	0.725	S	S	*	*			trans	70.4	72.6	154.3	-72.3	-10	0	0	0	121.5
15	N	46.9	Very low	47.7	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	70%	0.704	S	S	*	*	S	Bend	trans	-124.6	6.5	157.9	-91.6	-35.8	0	0	0	115.6
16	D	51.1	Low	48	Very low	139 Å²	139	134 Å²	134	74%	0.743	69%	0.693	S	S	*	*	S	Bend	trans	-105.6	-6.6	-173.6	-74.8	-29.4	0	0	0	115.6
17	E	47.6	Very low	48.4	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	69%	0.686	S	S	*	*	H	α-helix	trans	-90	-22.6	-177.7	-97.2	-174.4	155.5	0	0	115.2
18	L	44.4	Very low	48.8	Very low	148 Å²	148	130.8 Å²	130.8	78%	0.775	68%	0.676	S	S	*	*	H	α-helix	trans	-83.6	-13.9	-179.9	-80.4	161.4	0	0	0	114.1
19	S	49	Very low	48.6	Very low	78 Å²	78	127.4 Å²	127.4	55%	0.545	67%	0.665	S	S	.	*	H	α-helix	trans	-77.2	-34.9	178.8	176.4	0	0	0	0	112.1	E23	S19-E23 PolarHBondContact O-N 3.2Å
20	L	49.6	Very low	48.2	Very low	106 Å²	106	126.2 Å²	126.2	56%	0.555	67%	0.667	S	S	*	*	H	α-helix	trans	-73.5	-35	-176.3	-98.8	128.7	0	0	0	113.2	V22 E23 Q24	L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.41Å; L20-E23 PolarHBondContact O-N 3.42Å; L20-Q24 WeakPolarHBondContact O-CB 3.4Å; L20-Q24 PolarHBondContact O-N 3Å
21	D	56.9	Low	47.9	Very low	116 Å²	116	126.8 Å²	126.8	62%	0.62	67%	0.668	S	S	*	*	H	α-helix	trans	-69.5	-30	-179.9	-84.7	-17.8	0	0	0	113.1	A25	D21-A25 WeakPolarHBondContact O-CB 3.15Å; D21-A25 PolarHBondContact O-N 3.33Å
22	V	52	Low	47	Very low	91 Å²	91	124.7 Å²	124.7	55%	0.552	65%	0.654	S	S	*	*	H	α-helix	trans	-74.7	-43.3	175.6	-179.3	0	0	0	0	110.8	L20 Q24 A25 I26	L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.41Å; V22-Q24 VanDerWaalsContact C-N 3.34Å; V22-Q24 PolarHBondContact O-N 3.43Å; V22-A25 PolarHBondContact O-N 3.01Å; V22-I26 HydrophobicContact CG1-CD1 3.93Å; V22-I26 WeakPolarHBondContact O-CB 3.35Å; V22-I26 WeakPolarHBondContact O-CD1 3.19Å; V22-I26 WeakPolarHBondContact O-CG1 3.43Å; V22-I26 PolarHBondContact O-N 2.96Å
23	E	52.5	Low	46.3	Very low	96 Å²	96	121 Å²	121	45%	0.449	65%	0.653	S	S	.	*	H	α-helix	trans	-64.3	-38.7	173.5	-85.7	-157.5	171.1	0	0	112.2	S19 L20 I26 R27	S19-E23 PolarHBondContact O-N 3.2Å; L20-E23 PolarHBondContact O-N 3.42Å; E23-I26 PolarHBondContact O-N 3.01Å; E23-R27 WeakPolarHBondContact O-CB 3.43Å; E23-R27 WeakPolarHBondContact O-CG 3.46Å; E23-R27 PolarHBondContact O-N 3.24Å; E23-R27 IonicContact OE2-CZ 3.55Å; E23-R27 IonicContact OE2-NH1 3.56Å; E23-R27 IonicContact OE2-NH2 2.93Å; E23-R27 PolarHBondContact OE2-NH2 3.36Å
24	Q	59.4	Low	45.6	Very low	109 Å²	109	121 Å²	121	51%	0.509	65%	0.651	S	S	.	*	H	α-helix	trans	-68.7	-38.1	176.6	-164.4	117.8	-11.7	0	0	111.1	L20 V22 R27 T28	L20-Q24 WeakPolarHBondContact O-CB 3.4Å; L20-Q24 PolarHBondContact O-N 3Å; V22-Q24 VanDerWaalsContact C-N 3.34Å; V22-Q24 PolarHBondContact O-N 3.43Å; Q24-R27 PolarHBondContact O-N 2.94Å; Q24-T28 HydrophobicContact CG-CG2 4.45Å; Q24-T28 WeakPolarHBondContact O-CB 3.32Å; Q24-T28 WeakPolarHBondContact O-CG2 3.33Å; Q24-T28 PolarHBondContact O-N 2.78Å; Q24-T28 PolarHBondContact O-OG1 3.01Å
25	A	48.5	Very low	44.8	Very low	54 Å²	54	117.5 Å²	117.5	45%	0.446	64%	0.639	S	S	.	*	H	α-helix	trans	-65.8	-38.3	173.6	0	0	0	0	0	112.6	D21 V22 T28 S29	D21-A25 WeakPolarHBondContact O-CB 3.15Å; D21-A25 PolarHBondContact O-N 3.33Å; V22-A25 PolarHBondContact O-N 3.01Å; A25-T28 WeakPolarHBondContact CA-OG1 3.49Å; A25-T28 PolarHBondContact O-OG1 2.89Å; A25-S29 WeakPolarHBondContact O-CB 3.41Å; A25-S29 PolarHBondContact O-N 2.88Å; A25-S29 VanDerWaalsContact O-N 3.1Å; A25-S29 PolarHBondContact O-OG 2.62Å
26	I	48.8	Very low	43.9	Very low	119 Å²	119	114.5 Å²	114.5	61%	0.61	63%	0.628	S	S	*	*	H	α-helix	trans	-68.6	-37	174.5	-67.5	164.9	0	0	0	111.1	V22 E23 S29	V22-I26 HydrophobicContact CG1-CD1 3.93Å; V22-I26 WeakPolarHBondContact O-CB 3.35Å; V22-I26 WeakPolarHBondContact O-CD1 3.19Å; V22-I26 WeakPolarHBondContact O-CG1 3.43Å; V22-I26 PolarHBondContact O-N 2.96Å; E23-I26 PolarHBondContact O-N 3.01Å; I26-S29 PolarHBondContact O-OG 2.85Å
27	R	51.3	Low	42.9	Very low	178 Å²	178	114.5 Å²	114.5	67%	0.672	63%	0.627	S	S	*	*	H	α-helix	trans	-76.5	-29.9	177	-73.7	-176.1	-172.8	133.4	15.9	113.7	E23 Q24	E23-R27 WeakPolarHBondContact O-CB 3.43Å; E23-R27 WeakPolarHBondContact O-CG 3.46Å; E23-R27 PolarHBondContact O-N 3.24Å; E23-R27 IonicContact OE2-CZ 3.55Å; E23-R27 IonicContact OE2-NH1 3.56Å; E23-R27 IonicContact OE2-NH2 2.93Å; E23-R27 PolarHBondContact OE2-NH2 3.36Å; Q24-R27 PolarHBondContact O-N 2.94Å
28	T	47.9	Very low	42.1	Very low	102 Å²	102	111 Å²	111	63%	0.626	62%	0.616	S	S	*	*	H	α-helix	trans	-88.1	-13.1	179.7	51.1	0	0	0	0	113.6	Q24 A25 S30	Q24-T28 HydrophobicContact CG-CG2 4.45Å; Q24-T28 WeakPolarHBondContact O-CB 3.32Å; Q24-T28 WeakPolarHBondContact O-CG2 3.33Å; Q24-T28 PolarHBondContact O-N 2.78Å; Q24-T28 PolarHBondContact O-OG1 3.01Å; A25-T28 WeakPolarHBondContact CA-OG1 3.49Å; A25-T28 PolarHBondContact O-OG1 2.89Å; T28-S30 PolarHBondContact O-N 3.1Å
29	S	34.3	Very low	41.4	Very low	75 Å²	75	112 Å²	112	52%	0.524	62%	0.616	S	S	.	*			trans	-78.4	63.6	170.2	37.8	0	0	0	0	111.7	A25 I26 I31	A25-S29 WeakPolarHBondContact O-CB 3.41Å; A25-S29 PolarHBondContact O-N 2.88Å; A25-S29 VanDerWaalsContact O-N 3.1Å; A25-S29 PolarHBondContact O-OG 2.62Å; I26-S29 PolarHBondContact O-OG 2.85Å; S29-I31 PolarHBondContact O-N 3.45Å
30	S	36.1	Very low	40.8	Very low	104 Å²	104	114.4 Å²	114.4	73%	0.727	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	31.7	170.6	-177	0	0	0	0	113.3	T28	T28-S30 PolarHBondContact O-N 3.1Å
31	I	36.6	Very low	39.8	Very low	154 Å²	154	117.6 Å²	117.6	79%	0.79	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	-2.3	-171.9	-69.6	176.4	0	0	0	113.4	S29	S29-I31 PolarHBondContact O-N 3.45Å
32	M	31.6	Very low	38.9	Very low	131 Å²	131	118 Å²	118	65%	0.645	64%	0.637	S	S	*	*			trans	-133.3	35.4	177.7	-64.2	-162	74.3	0	0	115.4	K34	M32-K34 CarbonylContact O-C 3.56Å; M32-K34 PolarHBondContact O-N 2.66Å
33	S	33.8	Very low	38.2	Very low	120 Å²	120	122.6 Å²	122.6	84%	0.839	64%	0.644	S	S	*	*	S	Bend	trans	-65.2	-2.7	173.2	58.7	0	0	0	0	114.6
34	K	32	Very low	37.6	Very low	180 Å²	180	123.4 Å²	123.4	78%	0.783	66%	0.66	S	S	*	*	S	Bend	trans	-130	112.2	155.9	-78.6	178.5	176.2	176.1	0	107.6	M32	M32-K34 CarbonylContact O-C 3.56Å; M32-K34 PolarHBondContact O-N 2.66Å
35	A	30	Very low	37.1	Very low	53 Å²	53	124 Å²	124	44%	0.438	66%	0.659	S	S	.	*			trans	-50.5	136.4	160.2	0	0	0	0	0	107.2	I37	A35-I37 VanDerWaalsContact C-N 3.33Å; A35-I37 PolarHBondContact O-N 2.86Å
36	P	27.7	Very low	37.2	Very low	93 Å²	93	124.9 Å²	124.9	60%	0.604	66%	0.661	S	S	*	*			trans	-57.5	107.3	172.7	23.3	-29.8	0	0	0	106.1	V38	P36-V38 HydrophobicContact CB-CG2 4.49Å; P36-V38 PolarHBondContact O-N 2.86Å
37	I	31.3	Very low	38	Very low	140 Å²	140	122.1 Å²	122.1	72%	0.718	65%	0.653	S	S	*	*			trans	-66.9	89	168.3	-58.1	174.2	0	0	0	103.4	A35 Q39	A35-I37 VanDerWaalsContact C-N 3.33Å; A35-I37 PolarHBondContact O-N 2.86Å; I37-Q39 HydrophobicContact CG2-CG 3.96Å; I37-Q39 PolarHBondContact O-N 2.9Å
38	V	31.1	Very low	39.5	Very low	83 Å²	83	116 Å²	116	50%	0.503	63%	0.633	S	S	.	*			trans	-71	91	163.6	-170.3	0	0	0	0	104	P36 F40	P36-V38 HydrophobicContact CB-CG2 4.49Å; P36-V38 PolarHBondContact O-N 2.86Å; V38-F40 HydrophobicContact CB-CD2 4.14Å; V38-F40 HydrophobicContact CB-CE1 4.07Å; V38-F40 HydrophobicContact CB-CE2 3.56Å; V38-F40 HydrophobicContact CB-CZ 3.52Å; V38-F40 HydrophobicContact CG1-CD1 3.68Å; V38-F40 HydrophobicContact CG1-CD2 4.07Å; V38-F40 HydrophobicContact CG1-CE1 3.24Å; V38-F40 HydrophobicContact CG1-CE2 3.68Å; V38-F40 HydrophobicContact CG1-CG 4.08Å; V38-F40 HydrophobicContact CG1-CZ 3.24Å; V38-F40 HydrophobicContact CG2-CZ 4.28Å; V38-F40 WeakPolarHBondContact O-CD2 3.23Å; V38-F40 WeakPolarHBondContact O-CE2 3.38Å; V38-F40 PolarHBondContact O-N 3.43Å
39	Q	29	Very low	41.3	Very low	169 Å²	169	112.8 Å²	112.8	79%	0.79	62%	0.617	S	S	*	*			trans	-62.3	91.5	166.3	-95	-179.3	-19.2	0	0	106.7	I37 L41	I37-Q39 HydrophobicContact CG2-CG 3.96Å; I37-Q39 PolarHBondContact O-N 2.9Å; Q39-L41 PolarHBondContact O-N 3.5Å
40	F	35.6	Very low	44	Very low	130 Å²	130	112.7 Å²	112.7	57%	0.57	62%	0.615	S	S	*	*			trans	-72.3	119	172	-64	-75.1	0	0	0	107.4	V38 N42 I54	V38-F40 HydrophobicContact CB-CD2 4.14Å; V38-F40 HydrophobicContact CB-CE1 4.07Å; V38-F40 HydrophobicContact CB-CE2 3.56Å; V38-F40 HydrophobicContact CB-CZ 3.52Å; V38-F40 HydrophobicContact CG1-CD1 3.68Å; V38-F40 HydrophobicContact CG1-CD2 4.07Å; V38-F40 HydrophobicContact CG1-CE1 3.24Å; V38-F40 HydrophobicContact CG1-CE2 3.68Å; V38-F40 HydrophobicContact CG1-CG 4.08Å; V38-F40 HydrophobicContact CG1-CZ 3.24Å; V38-F40 HydrophobicContact CG2-CZ 4.28Å; V38-F40 WeakPolarHBondContact O-CD2 3.23Å; V38-F40 WeakPolarHBondContact O-CE2 3.38Å; V38-F40 PolarHBondContact O-N 3.43Å; F40-N42 PolarHBondContact O-N 3.27Å; F40-I54 HydrophobicContact CE2-CD1 4.47Å
41	L	30.4	Very low	46.7	Very low	172 Å²	172	110 Å²	110	90%	0.901	59%	0.59	S	S	*	*			trans	-51.8	114.6	171.8	-107.1	100.6	0	0	0	108.2	Q39 R43	Q39-L41 PolarHBondContact O-N 3.5Å; L41-R43 PolarHBondContact O-N 3Å
42	N	36	Very low	49.4	Very low	126 Å²	126	105.1 Å²	105.1	67%	0.674	57%	0.569	S	S	*	*			trans	-66.6	86.9	178.6	-138.2	-6.8	0	0	0	107.5	F40 S44	F40-N42 PolarHBondContact O-N 3.27Å; N42-S44 PolarHBondContact O-N 2.84Å; N42-S44 VanDerWaalsContact O-N 3.1Å
43	R	38.9	Very low	52.2	Low	187 Å²	187	100.8 Å²	100.8	71%	0.706	56%	0.558	S	S	*	*			trans	-70.2	109.2	176.6	-148.4	177.6	-166.1	-169.5	3.5	105.6	L41 Y45	L41-R43 PolarHBondContact O-N 3Å; R43-Y45 VanDerWaalsContact C-N 3.35Å; R43-Y45 HydrophobicContact CB-CE1 4.29Å; R43-Y45 HydrophobicContact CB-CE2 4.03Å; R43-Y45 WeakPolarHBondContact O-CD2 3.25Å; R43-Y45 VanDerWaalsContact O-CE2 3.3Å; R43-Y45 WeakPolarHBondContact O-CE2 3.4Å; R43-Y45 PolarHBondContact O-N 2.89Å
44	S	40	Very low	54.8	Low	113 Å²	113	98 Å²	98	79%	0.79	53%	0.533	S	S	*	.			trans	-58.9	98	172.2	46.8	0	0	0	0	108.7	N42 S46	N42-S44 PolarHBondContact O-N 2.84Å; N42-S44 VanDerWaalsContact O-N 3.1Å; S44-S46 PolarHBondContact O-N 3.08Å; S44-S46 VanDerWaalsContact O-N 3.11Å
45	Y	49.2	Very low	57.7	Low	121 Å²	121	90.4 Å²	90.4	48%	0.475	50%	0.499	S	S	.	.			trans	-76.3	102	-177.4	-70.8	-76	0	0	0	109.3	R43 S47 F51 S164	R43-Y45 VanDerWaalsContact C-N 3.35Å; R43-Y45 HydrophobicContact CB-CE1 4.29Å; R43-Y45 HydrophobicContact CB-CE2 4.03Å; R43-Y45 WeakPolarHBondContact O-CD2 3.25Å; R43-Y45 VanDerWaalsContact O-CE2 3.3Å; R43-Y45 WeakPolarHBondContact O-CE2 3.4Å; R43-Y45 PolarHBondContact O-N 2.89Å; Y45-S47 VanDerWaalsContact C-N 3.27Å; Y45-S47 PolarHBondContact O-N 3.32Å; Y45-F51 HydrophobicContact CD2-CZ 4.45Å; Y45-S164 PolarHBondContact O-OG 2.82Å
46	S	49.4	Very low	60.7	Low	72 Å²	72	89.7 Å²	89.7	50%	0.503	49%	0.491	S	S	.	.			trans	-85.7	8.4	178.2	63.9	0	0	0	0	113.6	S44 S164	S44-S46 PolarHBondContact O-N 3.08Å; S44-S46 VanDerWaalsContact O-N 3.11Å; S46-S164 VanDerWaalsContact CA-OG 3.23Å; S46-S164 WeakPolarHBondContact CA-OG 2.9Å
47	S	66	Low	63.9	Low	62 Å²	62	85.3 Å²	85.3	43%	0.434	46%	0.462	S	S	.	.			trans	-123.9	130.4	-172.6	-176.3	0	0	0	0	111.4	Y45 A49	Y45-S47 VanDerWaalsContact C-N 3.27Å; Y45-S47 PolarHBondContact O-N 3.32Å; S47-A49 PolarHBondContact O-N 3.48Å; S47-A49 VanDerWaalsContact OG-CB 3.28Å; S47-A49 WeakPolarHBondContact OG-CB 3.31Å; S47-A49 PolarHBondContact OG-N 3.25Å
48	L	82.8	Confident	67	Low	50 Å²	50	84 Å²	84	26%	0.262	45%	0.451	S	S	.	.			trans	-77.9	18.3	169	-62	175.4	0	0	0	112.1	L115 L163 K253	L48-L115 HydrophobicContact CD1-CD1 3.92Å; L48-L115 HydrophobicContact CD2-CD1 4.44Å; L48-L163 HydrophobicContact CD2-CB 4.31Å; L48-L163 HydrophobicContact CD2-CD1 4.25Å; L48-L163 HydrophobicContact CD2-CD2 4.06Å; L48-L163 HydrophobicContact CD2-CG 4.45Å; L48-K253 WeakPolarHBondContact O-CE 3.49Å; L48-K253 PolarHBondContact O-NZ 2.93Å; L48-K253 VanDerWaalsContact O-NZ 3.08Å
49	A	86.5	Confident	70.1	Confident	34 Å²	34	80.6 Å²	80.6	28%	0.281	43%	0.431	S	S	.	.			trans	-72.8	133.5	174.7	0	0	0	0	0	110.1	S47	S47-A49 PolarHBondContact O-N 3.48Å; S47-A49 VanDerWaalsContact OG-CB 3.28Å; S47-A49 WeakPolarHBondContact OG-CB 3.31Å; S47-A49 PolarHBondContact OG-N 3.25Å
50	P	90.9	Very high	73.2	Confident	73 Å²	73	75.6 Å²	75.6	47%	0.474	41%	0.405	S	S	.	.			trans	-54.5	139.7	174.3	-28.2	36.6	0	0	0	113	L251 K253	P50-L251 CarbonylContact C-O 3.49Å; P50-L251 VanDerWaalsContact CA-O 3.25Å; P50-L251 WeakPolarHBondContact CA-O 3.45Å; P50-K253 HydrophobicContact CG-CB 4.29Å; P50-K253 HydrophobicContact CG-CD 4.22Å; P50-K253 HydrophobicContact CG-CG 4.23Å
51	F	92.7	Very high	76	Confident	48 Å²	48	69.6 Å²	69.6	21%	0.211	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-150.1	136.5	172.8	67.3	-88.9	0	0	0	110.7	Y45 G53 I248 G250 L251	Y45-F51 HydrophobicContact CD2-CZ 4.45Å; F51-G53 VanDerWaalsContact C-N 3.32Å; F51-I248 HydrophobicContact CZ-CG2 3.77Å; F51-G250 WeakPolarHBondContact O-CA 2.92Å; F51-L251 HydrophobicContact CD1-CB 3.7Å; F51-L251 HydrophobicContact CE1-CB 3.39Å; F51-L251 HydrophobicContact CE1-CD1 4.27Å; F51-L251 HydrophobicContact CE1-CG 4.43Å; F51-L251 HydrophobicContact CZ-CB 4Å; F51-L251 PolarHBondContact N-O 3.33Å; F51-L251 PolarHBondContact O-N 3.43Å; F51-L251 VanDerWaalsContact O-O 3.1Å
52	S	92.9	Very high	78.6	Confident	51 Å²	51	63.7 Å²	63.7	36%	0.357	35%	0.352	S	S	.	.			trans	-76.6	-21.4	178.1	-62.3	0	0	0	0	113.7	C56 Y57	S52-C56 CarbonylContact O-C 3.6Å; S52-C56 PolarHBondContact O-N 2.86Å; S52-Y57 WeakPolarHBondContact CA-O 3.34Å; S52-Y57 WeakPolarHBondContact CB-O 3.41Å; S52-Y57 WeakPolarHBondContact O-CB 3.5Å; S52-Y57 PolarHBondContact O-N 3.5Å; S52-Y57 PolarHBondContact OG-O 3.35Å
53	G	89.8	Confident	80.5	Confident	39 Å²	39	64.2 Å²	64.2	40%	0.402	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-165.4	-177.8	0	0	0	0	0	113.6	F51 Y55 C56 F249	F51-G53 VanDerWaalsContact C-N 3.32Å; G53-Y55 VanDerWaalsContact C-N 3.31Å; G53-Y55 PolarHBondContact O-N 3.44Å; G53-C56 PolarHBondContact O-N 3.43Å; G53-F249 WeakPolarHBondContact CA-O 3.42Å
54	I	89.4	Confident	81.8	Confident	61 Å²	61	62.6 Å²	62.6	31%	0.313	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.6	-174.1	58.5	173.2	0	0	0	112.6	F40 C56 I198 F249	F40-I54 HydrophobicContact CE2-CD1 4.47Å; I54-C56 VanDerWaalsContact C-N 3.25Å; I54-C56 PolarHBondContact O-N 3.42Å; I54-I198 WeakPolarHBondContact O-CD1 3.24Å; I54-F249 HydrophobicContact CD1-CD1 4.11Å; I54-F249 HydrophobicContact CD1-CE1 4.33Å; I54-F249 HydrophobicContact CG1-CD1 4.29Å
55	Y	92.3	Very high	82.8	Confident	21 Å²	21	58.1 Å²	58.1	8%	0.082	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	12.5	-179.1	-55.2	-49.4	0	0	0	113.3	G53 Y57 F99 R100 P102 M106 F108 L233 F249	G53-Y55 VanDerWaalsContact C-N 3.31Å; G53-Y55 PolarHBondContact O-N 3.44Å; Y55-Y57 PolarHBondContact O-N 2.94Å; Y55-F99 CarbonylContact O-C 3.58Å; Y55-F99 VanDerWaalsContact O-CA 3.3Å; Y55-F99 WeakPolarHBondContact O-CA 3.21Å; Y55-F99 WeakPolarHBondContact O-CB 3.16Å; Y55-R100 WeakPolarHBondContact CB-O 3.31Å; Y55-R100 WeakPolarHBondContact CD1-O 3.46Å; Y55-R100 PolarHBondContact O-N 3.2Å; Y55-P102 HydrophobicContact CE1-CB 4.09Å; Y55-P102 HydrophobicContact CE1-CG 3.81Å; Y55-M106 PolarHBondContact OH-SD 2.92Å; Y55-M106 VanDerWaalsContact OH-SD 3.38Å; Y55-F108 AromaticContact CD2-CE1 3.83Å; Y55-F108 HydrophobicContact CD2-CE1 3.83Å; Y55-F108 AromaticContact CD2-CZ 3.97Å; Y55-F108 HydrophobicContact CD2-CZ 3.97Å; Y55-F108 AromaticContact CE2-CE1 3.72Å; Y55-F108 HydrophobicContact CE2-CE1 3.72Å; Y55-F108 AromaticContact CE2-CZ 3.72Å; Y55-F108 HydrophobicContact CE2-CZ 3.72Å; Y55-L233 HydrophobicContact CD2-CD2 4.25Å; Y55-F249 HydrophobicContact CD2-CB 3.67Å; Y55-F249 AromaticContact CD2-CD1 3.94Å; Y55-F249 HydrophobicContact CD2-CD1 3.94Å; Y55-F249 AromaticContact CD2-CG 3.88Å; Y55-F249 HydrophobicContact CD2-CG 3.88Å; Y55-F249 HydrophobicContact CE2-CB 3.88Å; Y55-F249 AromaticContact CE2-CD1 3.3Å; Y55-F249 HydrophobicContact CE2-CD1 3.3Å; Y55-F249 HydrophobicContact CE2-CD2 4.24Å; Y55-F249 AromaticContact CE2-CE1 3.81Å; Y55-F249 HydrophobicContact CE2-CE1 3.81Å; Y55-F249 AromaticContact CE2-CG 3.53Å; Y55-F249 HydrophobicContact CE2-CG 3.53Å; Y55-F249 HydrophobicContact CE2-CZ 4.48Å
56	C	93	Very high	82.9	Confident	39 Å²	39	58 Å²	58	26%	0.264	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.6	177	-62.8	0	0	0	0	113.1	S52 G53 I54	S52-C56 CarbonylContact O-C 3.6Å; S52-C56 PolarHBondContact O-N 2.86Å; G53-C56 PolarHBondContact O-N 3.43Å; I54-C56 VanDerWaalsContact C-N 3.25Å; I54-C56 PolarHBondContact O-N 3.42Å
57	Y	95.7	Very high	83	Confident	1 Å²	1	60 Å²	60	0%	0.004	34%	0.338	C	S	.	.			trans	-60.8	136.1	-178	-177.3	-118.4	0	0	0	112.1	S52 Y55 V59 F97 S98 F99 V231 L233 D252	S52-Y57 WeakPolarHBondContact CA-O 3.34Å; S52-Y57 WeakPolarHBondContact CB-O 3.41Å; S52-Y57 WeakPolarHBondContact O-CB 3.5Å; S52-Y57 PolarHBondContact O-N 3.5Å; S52-Y57 PolarHBondContact OG-O 3.35Å; Y55-Y57 PolarHBondContact O-N 2.94Å; Y57-V59 HydrophobicContact CD1-CG2 4.38Å; Y57-V59 HydrophobicContact CE1-CG2 3.49Å; Y57-V59 VanDerWaalsContact CE1-CG2 3.49Å; Y57-V59 HydrophobicContact CE2-CG2 4.04Å; Y57-V59 WeakPolarHBondContact OH-CG2 3.24Å; Y57-F97 HydrophobicContact CE2-CB 4.1Å; Y57-S98 CarbonylContact C-O 3.59Å; Y57-S98 WeakPolarHBondContact CA-O 3.07Å; Y57-S98 WeakPolarHBondContact CD2-O 3.34Å; Y57-F99 HydrophobicContact CD2-CB 4.19Å; Y57-V231 WeakPolarHBondContact OH-CG1 3.49Å; Y57-L233 HydrophobicContact CD1-CB 4.04Å; Y57-L233 HydrophobicContact CD2-CB 3.73Å; Y57-L233 HydrophobicContact CD2-CD2 3.97Å; Y57-L233 HydrophobicContact CD2-CG 4.31Å; Y57-L233 HydrophobicContact CE1-CB 4.12Å; Y57-L233 HydrophobicContact CE2-CB 3.83Å; Y57-L233 HydrophobicContact CG-CB 3.82Å; Y57-L233 HydrophobicContact CG-CD2 4.23Å; Y57-D252 HydrophobicContact CE1-CB 4.47Å
58	K	95.5	Very high	82.2	Confident	112 Å²	112	68.3 Å²	68.3	49%	0.487	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	146.4	178.3	-65.7	-179.6	-175.3	179.2	0	110.4	W60 F97 S98	K58-W60 HydrophobicContact CB-CE3 4.14Å; K58-W60 HydrophobicContact CB-CZ3 3.89Å; K58-F97 VanDerWaalsContact O-CA 3.3Å; K58-F97 WeakPolarHBondContact O-CA 3.36Å; K58-S98 PolarHBondContact N-O 2.88Å; K58-S98 PolarHBondContact O-N 3.32Å
59	V	95.8	Very high	80.6	Confident	11 Å²	11	68.9 Å²	68.9	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.2	176.2	-170.3	0	0	0	0	109.9	Y57 I95 T96 F97 V231 D252 I254	Y57-V59 HydrophobicContact CD1-CG2 4.38Å; Y57-V59 HydrophobicContact CE1-CG2 3.49Å; Y57-V59 VanDerWaalsContact CE1-CG2 3.49Å; Y57-V59 HydrophobicContact CE2-CG2 4.04Å; Y57-V59 WeakPolarHBondContact OH-CG2 3.24Å; V59-I95 HydrophobicContact CG1-CG2 3.34Å; V59-T96 WeakPolarHBondContact CA-O 3.4Å; V59-T96 WeakPolarHBondContact CG1-O 3.37Å; V59-F97 HydrophobicContact CG2-CB 4.5Å; V59-V231 HydrophobicContact CG1-CB 4.47Å; V59-V231 HydrophobicContact CG1-CG1 4.41Å; V59-V231 HydrophobicContact CG1-CG2 4.4Å; V59-V231 HydrophobicContact CG2-CB 4.16Å; V59-V231 HydrophobicContact CG2-CG1 4.05Å; V59-D252 HydrophobicContact CB-CB 3.78Å; V59-D252 HydrophobicContact CG2-CB 3.64Å; V59-D252 PolarHBondContact N-OD2 3.28Å; V59-I254 HydrophobicContact CG1-CD1 3.75Å; V59-I254 HydrophobicContact CG1-CG1 4.47Å
60	W	94.9	Very high	79	Confident	65 Å²	65	78.3 Å²	78.3	25%	0.246	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	164	176.1	64.8	97	0	0	0	112.1	K58 T96 S98 R205	K58-W60 HydrophobicContact CB-CE3 4.14Å; K58-W60 HydrophobicContact CB-CZ3 3.89Å; W60-T96 HydrophobicContact CD2-CG2 4.25Å; W60-T96 HydrophobicContact CH2-CG2 4.04Å; W60-T96 HydrophobicContact CZ2-CG2 3.4Å; W60-T96 PolarHBondContact N-O 3.32Å; W60-T96 WeakPolarHBondContact O-CA 3.42Å; W60-T96 WeakPolarHBondContact O-CB 3.5Å; W60-T96 PolarHBondContact O-N 3Å; W60-S98 WeakPolarHBondContact CH2-OG 3.45Å; W60-S98 WeakPolarHBondContact CZ3-OG 3.45Å; W60-R205 HydrophobicContact CH2-CG 4.36Å
61	V	93.5	Very high	77.3	Confident	3 Å²	3	82.8 Å²	82.8	2%	0.018	41%	0.41	C	S	.	.			trans	-114	124.8	171.8	-176.5	0	0	0	0	109.1	E63 Y74 V76 V85 W93 P94 I254	V61-E63 PolarHBondContact O-N 2.95Å; V61-Y74 HydrophobicContact CG1-CD2 4.13Å; V61-Y74 HydrophobicContact CG1-CE2 3.68Å; V61-V76 HydrophobicContact CB-CG2 3.97Å; V61-V76 HydrophobicContact CG1-CG2 3.55Å; V61-V85 HydrophobicContact CB-CG2 4.1Å; V61-V85 HydrophobicContact CG1-CG2 4.41Å; V61-V85 HydrophobicContact CG2-CG2 3.75Å; V61-W93 HydrophobicContact CG1-CE3 4.47Å; V61-W93 HydrophobicContact CG2-CE3 4.25Å; V61-W93 HydrophobicContact CG2-CZ3 3.77Å; V61-P94 WeakPolarHBondContact CG1-O 3.22Å; V61-I254 HydrophobicContact CG2-CD1 3.92Å
62	S	85.4	Confident	75.8	Confident	49 Å²	49	86.1 Å²	86.1	34%	0.343	42%	0.423	S	S	.	.			trans	-64.7	129.7	176.7	-57.9	0	0	0	0	110.8	E64 Y74	S62-E64 PolarHBondContact O-N 2.83Å; S62-Y74 VanDerWaalsContact O-CE2 3.25Å; S62-Y74 WeakPolarHBondContact O-CE2 3.46Å; S62-Y74 PolarHBondContact O-OH 3.37Å
63	E	76.2	Confident	75.1	Confident	136 Å²	136	85.4 Å²	85.4	64%	0.636	42%	0.417	S	S	*	.	S	Bend	trans	-64.5	-28.4	-179	-61.5	-172.1	169	0	0	112.7	V61 V76	V61-E63 PolarHBondContact O-N 2.95Å; E63-V76 HydrophobicContact CG-CB 4.34Å
64	E	66.7	Low	75.1	Confident	154 Å²	154	83.6 Å²	83.6	72%	0.72	40%	0.399	S	S	*	.	S	Bend	trans	-91.4	122.9	175.4	-66.7	-168.1	165.3	0	0	111.4	S62 Y74	S62-E64 PolarHBondContact O-N 2.83Å; E64-Y74 PolarHBondContact O-OH 2.83Å
65	P	59.4	Low	75.1	Confident	19 Å²	19	82.9 Å²	82.9	12%	0.123	39%	0.394	C	S	.	.			trans	-67	144	166.3	30.6	-35.1	0	0	0	109.1	N67 Y72 Y74	P65-N67 PolarHBondContact O-N 2.77Å; P65-Y72 HydrophobicContact CG-CD1 3.5Å; P65-Y72 VanDerWaalsContact CG-CD1 3.5Å; P65-Y72 HydrophobicContact CG-CE1 3.74Å; P65-Y74 WeakPolarHBondContact CA-OH 3.49Å; P65-Y74 HydrophobicContact CB-CE1 4.01Å
66	P	52.8	Low	75.1	Confident	118 Å²	118	82.8 Å²	82.8	77%	0.766	40%	0.395	S	S	*	.	S	Bend	trans	-63.1	-5.9	-177	23.6	-33.5	0	0	0	114.3
67	N	51.5	Low	74.9	Confident	115 Å²	115	81.9 Å²	81.9	62%	0.615	39%	0.388	S	S	*	.	S	Bend	trans	-132.6	116.3	-179.8	-156.5	-23.6	0	0	0	110.5	P65 S69	P65-N67 PolarHBondContact O-N 2.77Å; N67-S69 PolarHBondContact O-N 3.31Å
68	R	49.4	Very low	74.5	Confident	235 Å²	235	84.7 Å²	84.7	89%	0.887	41%	0.405	S	S	*	.			trans	-65.1	13.9	-177.9	-67.1	-176.3	175.3	-173.9	-1.3	114.6	R70	R68-R70 PolarHBondContact O-N 3.41Å
69	S	49.3	Very low	73.6	Confident	62 Å²	62	82.2 Å²	82.2	43%	0.434	40%	0.399	S	S	.	.			trans	-62.5	135	175	81.7	0	0	0	0	109.6	N67 H71	N67-S69 PolarHBondContact O-N 3.31Å; S69-H71 PolarHBondContact O-N 3.14Å
70	R	51.5	Low	72.8	Confident	233 Å²	233	88.6 Å²	88.6	88%	0.879	43%	0.433	S	S	*	.	S	Bend	trans	-59.4	0.2	-172.9	-70.1	179.6	177.6	176.3	-0.7	115.4	R68	R68-R70 PolarHBondContact O-N 3.41Å
71	H	55.6	Low	71.9	Confident	166 Å²	166	91 Å²	91	77%	0.769	46%	0.46	S	S	*	.	S	Bend	trans	-109.2	82.2	175.5	-64.4	-64.8	0	0	0	109.8	S69 S73	S69-H71 PolarHBondContact O-N 3.14Å; H71-S73 PolarHBondContact O-N 2.84Å; H71-S73 VanDerWaalsContact O-N 3.08Å
72	Y	60.4	Low	71.3	Confident	119 Å²	119	93.9 Å²	93.9	47%	0.467	48%	0.475	S	S	.	.			trans	-54.8	115	171.2	-66.8	-90.4	0	0	0	109.4	P65 Y74 Q75	P65-Y72 HydrophobicContact CG-CD1 3.5Å; P65-Y72 VanDerWaalsContact CG-CD1 3.5Å; P65-Y72 HydrophobicContact CG-CE1 3.74Å; Y72-Y74 WeakPolarHBondContact CB-O 3.47Å; Y72-Y74 PolarHBondContact O-N 3.49Å; Y72-Q75 VanDerWaalsContact CB-NE2 3.25Å; Y72-Q75 VanDerWaalsContact CG-NE2 3.28Å
73	S	78.4	Confident	71.6	Confident	35 Å²	35	93.3 Å²	93.3	25%	0.245	47%	0.467	C	S	.	.	S	Bend	trans	-67	-22.6	177.2	49.6	0	0	0	0	112.1	H71 V92	H71-S73 PolarHBondContact O-N 2.84Å; H71-S73 VanDerWaalsContact O-N 3.08Å; S73-V92 PolarHBondContact OG-O 3.2Å
74	Y	90.4	Very high	72.4	Confident	2 Å²	2	88.4 Å²	88.4	1%	0.008	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	168.1	178.2	67.6	-86.7	0	0	0	112.3	V61 S62 E64 P65 Y72 V76 V85 Y86 W93 P94	V61-Y74 HydrophobicContact CG1-CD2 4.13Å; V61-Y74 HydrophobicContact CG1-CE2 3.68Å; S62-Y74 VanDerWaalsContact O-CE2 3.25Å; S62-Y74 WeakPolarHBondContact O-CE2 3.46Å; S62-Y74 PolarHBondContact O-OH 3.37Å; E64-Y74 PolarHBondContact O-OH 2.83Å; P65-Y74 WeakPolarHBondContact CA-OH 3.49Å; P65-Y74 HydrophobicContact CB-CE1 4.01Å; Y72-Y74 WeakPolarHBondContact CB-O 3.47Å; Y72-Y74 PolarHBondContact O-N 3.49Å; Y74-V76 HydrophobicContact CD2-CG2 3.85Å; Y74-V76 HydrophobicContact CE2-CG2 3.81Å; Y74-V85 HydrophobicContact CD2-CG1 4.43Å; Y74-Y86 CarbonylContact C-O 3.4Å; Y74-Y86 WeakPolarHBondContact CA-O 3.49Å; Y74-Y86 WeakPolarHBondContact CB-O 3.37Å; Y74-W93 HydrophobicContact CD1-CB 3.75Å; Y74-W93 HydrophobicContact CE1-CB 4.4Å; Y74-W93 HydrophobicContact CG-CB 4.06Å; Y74-P94 VanDerWaalsContact CE1-CD 3.41Å; Y74-P94 HydrophobicContact CE1-CG 4.15Å
75	Q	90.6	Very high	73.7	Confident	45 Å²	45	81.1 Å²	81.1	21%	0.21	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.2	171.8	-64.4	-77.6	-44.4	0	0	108.6	Y72 V85 Y86 P262 T263 A266	Y72-Q75 VanDerWaalsContact CB-NE2 3.25Å; Y72-Q75 VanDerWaalsContact CG-NE2 3.28Å; Q75-V85 CarbonylContact O-C 3.57Å; Q75-V85 WeakPolarHBondContact O-CA 3.36Å; Q75-Y86 PolarHBondContact N-O 3.19Å; Q75-Y86 PolarHBondContact O-N 2.88Å; Q75-P262 HydrophobicContact CG-CB 4.25Å; Q75-T263 PolarHBondContact NE2-OG1 2.92Å; Q75-A266 HydrophobicContact CB-CB 3.92Å; Q75-A266 HydrophobicContact CG-CB 4.37Å
76	V	91.1	Very high	75.3	Confident	19 Å²	19	80.3 Å²	80.3	12%	0.115	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.8	176.4	-172.2	0	0	0	0	107.9	V61 E63 Y74 Q83 V85	V61-V76 HydrophobicContact CB-CG2 3.97Å; V61-V76 HydrophobicContact CG1-CG2 3.55Å; E63-V76 HydrophobicContact CG-CB 4.34Å; Y74-V76 HydrophobicContact CD2-CG2 3.85Å; Y74-V76 HydrophobicContact CE2-CG2 3.81Å; V76-Q83 HydrophobicContact CG1-CB 4.41Å; V76-V85 HydrophobicContact CG1-CG2 4.48Å; V76-V85 HydrophobicContact CG2-CG2 4.4Å
77	I	88.9	Confident	77.3	Confident	20 Å²	20	74.7 Å²	74.7	10%	0.103	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.9	167	-66	176.6	0	0	0	106.8	K84 Y86 A266 H270	I77-K84 PolarHBondContact N-O 3.39Å; I77-K84 PolarHBondContact O-N 2.84Å; I77-Y86 HydrophobicContact CB-CE2 4.26Å; I77-Y86 HydrophobicContact CD1-CE2 3.77Å; I77-Y86 HydrophobicContact CG1-CE2 4.07Å; I77-A266 VanDerWaalsContact CD1-C 3.46Å; I77-A266 HydrophobicContact CD1-CB 3.61Å; I77-A266 WeakPolarHBondContact CD1-O 3.25Å; I77-A266 HydrophobicContact CG1-CB 4.22Å; I77-H270 HydrophobicContact CD1-CB 4.02Å
78	T	86.7	Confident	79.3	Confident	60 Å²	60	70.7 Å²	70.7	37%	0.368	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.5	173.1	-53.3	0	0	0	0	108.4	I82 Q83	T78-I82 WeakPolarHBondContact CA-O 3.41Å; T78-Q83 HydrophobicContact CG2-CG 4.32Å
79	T	77.9	Confident	81.3	Confident	60 Å²	60	60.7 Å²	60.7	37%	0.368	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.1	176.4	-53.4	0	0	0	0	108.3	S81 I82	T79-S81 VanDerWaalsContact C-N 3.28Å; T79-S81 PolarHBondContact O-N 2.89Å; T79-I82 PolarHBondContact N-O 3.27Å; T79-I82 WeakPolarHBondContact O-CB 3.31Å; T79-I82 PolarHBondContact O-N 3.41Å
80	N	77.9	Confident	83.3	Confident	146 Å²	146	61.5 Å²	61.5	78%	0.781	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	45.5	-177.8	-57.7	-28.6	0	0	0	113.3	I82	N80-I82 PolarHBondContact O-N 2.6Å; N80-I82 VanDerWaalsContact O-N 3.11Å
81	S	77.1	Confident	85.3	Confident	116 Å²	116	57.9 Å²	57.9	81%	0.811	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	3.7	-176.7	-48.6	0	0	0	0	115.9	T79	T79-S81 VanDerWaalsContact C-N 3.28Å; T79-S81 PolarHBondContact O-N 2.89Å
82	I	80.6	Confident	87	Confident	63 Å²	63	52.2 Å²	52.2	32%	0.323	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.5	173.3	-58.2	173.3	0	0	0	108.5	T78 T79 N80 R255	T78-I82 WeakPolarHBondContact CA-O 3.41Å; T79-I82 PolarHBondContact N-O 3.27Å; T79-I82 WeakPolarHBondContact O-CB 3.31Å; T79-I82 PolarHBondContact O-N 3.41Å; N80-I82 PolarHBondContact O-N 2.6Å; N80-I82 VanDerWaalsContact O-N 3.11Å; I82-R255 HydrophobicContact CG2-CG 4.26Å
83	Q	90.8	Very high	88.6	Confident	37 Å²	37	46.6 Å²	46.6	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.2	174.9	-62.8	-171.8	-1.6	0	0	110.4	V76 T78 R255	V76-Q83 HydrophobicContact CG1-CB 4.41Å; T78-Q83 HydrophobicContact CG2-CG 4.32Å; Q83-R255 PolarHBondContact O-N 3.4Å
84	K	93.2	Very high	89.4	Confident	33 Å²	33	45.5 Å²	45.5	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.5	169.7	-170.5	170.2	-179.5	-178.8	0	109.5	I77 Y86 E226 R255 D269	I77-K84 PolarHBondContact N-O 3.39Å; I77-K84 PolarHBondContact O-N 2.84Å; K84-Y86 HydrophobicContact CB-CE2 4.25Å; K84-Y86 HydrophobicContact CD-CE2 4.22Å; K84-Y86 WeakPolarHBondContact CD-OH 3.23Å; K84-Y86 WeakPolarHBondContact CE-OH 3.4Å; K84-Y86 HydrophobicContact CG-CE2 3.83Å; K84-E226 IonicContact NZ-OE1 3.9Å; K84-E226 PolarHBondContact NZ-OE1 3.35Å; K84-R255 CarbonylContact C-O 3.6Å; K84-R255 WeakPolarHBondContact CA-O 3.49Å; K84-R255 HydrophobicContact CB-CB 4.18Å; K84-R255 HydrophobicContact CG-CB 4.07Å; K84-D269 IonicContact NZ-OD2 3.31Å; K84-D269 PolarHBondContact NZ-OD2 3.28Å
85	V	94.3	Very high	89.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.7	-173.7	-173.8	0	0	0	0	109.4	V61 Y74 Q75 V76 V87 W93 I254 R255 V256 R257	V61-V85 HydrophobicContact CB-CG2 4.1Å; V61-V85 HydrophobicContact CG1-CG2 4.41Å; V61-V85 HydrophobicContact CG2-CG2 3.75Å; Y74-V85 HydrophobicContact CD2-CG1 4.43Å; Q75-V85 CarbonylContact O-C 3.57Å; Q75-V85 WeakPolarHBondContact O-CA 3.36Å; V76-V85 HydrophobicContact CG1-CG2 4.48Å; V76-V85 HydrophobicContact CG2-CG2 4.4Å; V85-V87 HydrophobicContact CG1-CG1 3.89Å; V85-W93 HydrophobicContact CG1-CE3 4.01Å; V85-W93 HydrophobicContact CG1-CZ3 4.13Å; V85-W93 HydrophobicContact CG2-CZ3 4.49Å; V85-I254 HydrophobicContact CB-CG2 4.26Å; V85-I254 HydrophobicContact CG2-CG2 3.48Å; V85-I254 VanDerWaalsContact CG2-CG2 3.48Å; V85-R255 PolarHBondContact N-O 3.42Å; V85-V256 HydrophobicContact CB-CG1 4.47Å; V85-V256 CarbonylContact O-C 3.56Å; V85-V256 WeakPolarHBondContact O-CA 3.47Å; V85-R257 PolarHBondContact O-N 2.84Å
86	Y	93.9	Very high	89.9	Confident	2 Å²	2	44 Å²	44	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.9	177.1	-58.7	-106.8	0	0	0	108.1	Y74 Q75 I77 K84 R257 D265 A266 D269	Y74-Y86 CarbonylContact C-O 3.4Å; Y74-Y86 WeakPolarHBondContact CA-O 3.49Å; Y74-Y86 WeakPolarHBondContact CB-O 3.37Å; Q75-Y86 PolarHBondContact N-O 3.19Å; Q75-Y86 PolarHBondContact O-N 2.88Å; I77-Y86 HydrophobicContact CB-CE2 4.26Å; I77-Y86 HydrophobicContact CD1-CE2 3.77Å; I77-Y86 HydrophobicContact CG1-CE2 4.07Å; K84-Y86 HydrophobicContact CB-CE2 4.25Å; K84-Y86 HydrophobicContact CD-CE2 4.22Å; K84-Y86 WeakPolarHBondContact CD-OH 3.23Å; K84-Y86 WeakPolarHBondContact CE-OH 3.4Å; K84-Y86 HydrophobicContact CG-CE2 3.83Å; Y86-R257 CarbonylContact C-O 3.59Å; Y86-R257 VanDerWaalsContact CA-O 3.27Å; Y86-R257 WeakPolarHBondContact CA-O 3.31Å; Y86-R257 HydrophobicContact CD1-CB 3.9Å; Y86-R257 HydrophobicContact CD1-CG 4.21Å; Y86-R257 HydrophobicContact CE1-CB 4.15Å; Y86-R257 VanDerWaalsContact CE1-CD 3.47Å; Y86-R257 HydrophobicContact CE1-CG 4.38Å; Y86-R257 HydrophobicContact CG-CB 4.46Å; Y86-D265 HydrophobicContact CD1-CB 4Å; Y86-D265 HydrophobicContact CE1-CB 4.25Å; Y86-A266 HydrophobicContact CD1-CB 4.22Å; Y86-A266 HydrophobicContact CD2-CB 3.71Å; Y86-A266 HydrophobicContact CE1-CB 4.42Å; Y86-A266 HydrophobicContact CE2-CB 3.97Å; Y86-A266 HydrophobicContact CG-CB 3.88Å; Y86-D269 WeakPolarHBondContact OH-CB 3.48Å; Y86-D269 VanDerWaalsContact OH-CG 3.26Å; Y86-D269 PolarHBondContact OH-OD2 3.03Å
87	V	94	Very high	90.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.5	-176.9	-69.5	0	0	0	0	110.1	V85 W93 L212 R257 C258 C259 P262	V85-V87 HydrophobicContact CG1-CG1 3.89Å; V87-W93 HydrophobicContact CG1-CB 3.99Å; V87-W93 HydrophobicContact CG1-CD2 3.91Å; V87-W93 HydrophobicContact CG1-CG 3.59Å; V87-L212 HydrophobicContact CG2-CB 4.37Å; V87-L212 HydrophobicContact CG2-CD1 3.46Å; V87-L212 VanDerWaalsContact CG2-CD1 3.46Å; V87-L212 HydrophobicContact CG2-CG 4Å; V87-R257 PolarHBondContact N-O 2.75Å; V87-C258 HydrophobicContact CG2-CB 4.26Å; V87-C258 CarbonylContact O-C 3.39Å; V87-C258 VanDerWaalsContact O-CA 3.26Å; V87-C258 WeakPolarHBondContact O-CA 3.37Å; V87-C259 PolarHBondContact O-N 2.92Å; V87-P262 VanDerWaalsContact C-CG 3.44Å
88	T	92.6	Very high	90.5	Very high	32 Å²	32	42.7 Å²	42.7	20%	0.196	23%	0.23	C	C	.	.			trans	-86.6	146.3	166.5	-51.8	0	0	0	0	109.4	M90 R91 C259 P262	T88-M90 PolarHBondContact O-N 2.75Å; T88-R91 HydrophobicContact CG2-CG 4.27Å; T88-R91 WeakPolarHBondContact O-CB 2.95Å; T88-R91 PolarHBondContact O-N 2.89Å; T88-C259 WeakPolarHBondContact CA-O 3.4Å; T88-P262 VanDerWaalsContact OG1-CD 3.28Å; T88-P262 WeakPolarHBondContact OG1-CD 3.46Å; T88-P262 VanDerWaalsContact OG1-CG 3.27Å; T88-P262 WeakPolarHBondContact OG1-CG 3.36Å
89	T	92.8	Very high	90.9	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.153	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	141.4	176.4	-167	0	0	0	0	111.5	R91 L212 Y215 C258	T89-R91 PolarHBondContact O-N 3.46Å; T89-L212 WeakPolarHBondContact CA-O 3.33Å; T89-L212 PolarHBondContact OG1-O 3.05Å; T89-Y215 HydrophobicContact CG2-CD1 4.45Å; T89-Y215 HydrophobicContact CG2-CE1 3.64Å; T89-Y215 HydrophobicContact CG2-CE2 3.83Å; T89-Y215 VanDerWaalsContact CG2-OH 3.23Å; T89-Y215 WeakPolarHBondContact CG2-OH 3.26Å; T89-C258 WeakPolarHBondContact CA-SG 3.45Å; T89-C258 PolarHBondContact N-SG 3.24Å
90	M	91.4	Very high	91.7	Very high	79 Å²	79	39.4 Å²	39.4	39%	0.389	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	2.9	179.6	-57.8	-58.9	-67.9	0	0	116	T88 R211 L212	T88-M90 PolarHBondContact O-N 2.75Å; M90-R211 WeakPolarHBondContact O-CD 3.37Å; M90-R211 PolarHBondContact O-NE 3.4Å; M90-L212 PolarHBondContact N-O 3.27Å
91	R	92.5	Very high	92.3	Very high	156 Å²	156	32.9 Å²	32.9	59%	0.589	17%	0.169	S	C	*	.			trans	-81.3	141.6	171.4	-67.7	-63.7	-174.4	158.9	-2.1	110.4	T88 T89	T88-R91 HydrophobicContact CG2-CG 4.27Å; T88-R91 WeakPolarHBondContact O-CB 2.95Å; T88-R91 PolarHBondContact O-N 2.89Å; T89-R91 PolarHBondContact O-N 3.46Å
92	V	92.7	Very high	92.8	Very high	47 Å²	47	29 Å²	29	29%	0.285	14%	0.141	S	C	.	.			trans	-75.6	136.8	177.5	-172.6	0	0	0	0	109.9	S73 L151 Y209 C210 R211	S73-V92 PolarHBondContact OG-O 3.2Å; V92-L151 HydrophobicContact CB-CD1 4.33Å; V92-L151 HydrophobicContact CG1-CD1 3.76Å; V92-L151 HydrophobicContact CG2-CD1 3.63Å; V92-Y209 HydrophobicContact CG1-CD1 3.83Å; V92-Y209 HydrophobicContact CG1-CG 4.25Å; V92-C210 WeakPolarHBondContact CA-O 3.3Å; V92-R211 HydrophobicContact CG2-CG 4.19Å; V92-R211 VanDerWaalsContact CG2-NE 3.28Å
93	W	93.5	Very high	92.9	Very high	2 Å²	2	32 Å²	32	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	173.2	63	-75.1	0	0	0	110.2	V61 Y74 V85 V87 I95 C210 L212 L229 V256	V61-W93 HydrophobicContact CG1-CE3 4.47Å; V61-W93 HydrophobicContact CG2-CE3 4.25Å; V61-W93 HydrophobicContact CG2-CZ3 3.77Å; Y74-W93 HydrophobicContact CD1-CB 3.75Å; Y74-W93 HydrophobicContact CE1-CB 4.4Å; Y74-W93 HydrophobicContact CG-CB 4.06Å; V85-W93 HydrophobicContact CG1-CE3 4.01Å; V85-W93 HydrophobicContact CG1-CZ3 4.13Å; V85-W93 HydrophobicContact CG2-CZ3 4.49Å; V87-W93 HydrophobicContact CG1-CB 3.99Å; V87-W93 HydrophobicContact CG1-CD2 3.91Å; V87-W93 HydrophobicContact CG1-CG 3.59Å; W93-I95 HydrophobicContact CE3-CG1 3.98Å; W93-I95 HydrophobicContact CH2-CD1 3.49Å; W93-I95 VanDerWaalsContact CH2-CD1 3.49Å; W93-I95 HydrophobicContact CH2-CG1 3.55Å; W93-I95 HydrophobicContact CZ2-CD1 4.12Å; W93-I95 HydrophobicContact CZ2-CG1 4.37Å; W93-I95 HydrophobicContact CZ3-CD1 3.84Å; W93-I95 HydrophobicContact CZ3-CG1 3.31Å; W93-C210 HydrophobicContact CD2-CB 4.47Å; W93-C210 HydrophobicContact CZ2-CB 4.1Å; W93-C210 PolarHBondContact N-O 3.4Å; W93-C210 PolarHBondContact O-N 3.33Å; W93-L212 HydrophobicContact CZ2-CD2 4.4Å; W93-L212 HydrophobicContact CZ2-CG 4.49Å; W93-L229 HydrophobicContact CH2-CD1 3.69Å; W93-L229 HydrophobicContact CZ2-CD1 3.79Å; W93-V256 HydrophobicContact CH2-CG1 4.05Å; W93-V256 HydrophobicContact CZ2-CG1 4.29Å
94	P	94.5	Very high	92.5	Very high	12 Å²	12	34.3 Å²	34.3	8%	0.078	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	144.4	-177.1	33.7	-32.7	0	0	0	112.4	V61 Y74 V207 L208 Y209	V61-P94 WeakPolarHBondContact CG1-O 3.22Å; Y74-P94 VanDerWaalsContact CE1-CD 3.41Å; Y74-P94 HydrophobicContact CE1-CG 4.15Å; P94-V207 HydrophobicContact CB-CG1 3.62Å; P94-L208 CarbonylContact C-O 3.48Å; P94-L208 WeakPolarHBondContact CA-O 3.45Å; P94-Y209 HydrophobicContact CB-CD1 4.34Å; P94-Y209 HydrophobicContact CB-CE1 4.21Å
95	I	95.9	Very high	92.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.2	161.9	-61.8	176.8	0	0	0	107	V59 W93 I112 V207 L208 C210 L229 I254	V59-I95 HydrophobicContact CG1-CG2 3.34Å; W93-I95 HydrophobicContact CE3-CG1 3.98Å; W93-I95 HydrophobicContact CH2-CD1 3.49Å; W93-I95 VanDerWaalsContact CH2-CD1 3.49Å; W93-I95 HydrophobicContact CH2-CG1 3.55Å; W93-I95 HydrophobicContact CZ2-CD1 4.12Å; W93-I95 HydrophobicContact CZ2-CG1 4.37Å; W93-I95 HydrophobicContact CZ3-CD1 3.84Å; W93-I95 HydrophobicContact CZ3-CG1 3.31Å; I95-I112 HydrophobicContact CD1-CD1 3.89Å; I95-V207 CarbonylContact O-C 3.57Å; I95-V207 WeakPolarHBondContact O-CA 3.37Å; I95-L208 HydrophobicContact CB-CB 4.38Å; I95-L208 PolarHBondContact N-O 3.42Å; I95-L208 PolarHBondContact O-N 3.11Å; I95-C210 HydrophobicContact CD1-CB 4.37Å; I95-L229 HydrophobicContact CD1-CD1 4.47Å; I95-I254 HydrophobicContact CD1-CD1 4.29Å; I95-I254 HydrophobicContact CG1-CD1 4.2Å; I95-I254 HydrophobicContact CG2-CD1 3.86Å
96	T	95.9	Very high	91.8	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.5	176.9	-52.2	0	0	0	0	109.3	V59 W60 G206 V207	V59-T96 WeakPolarHBondContact CA-O 3.4Å; V59-T96 WeakPolarHBondContact CG1-O 3.37Å; W60-T96 HydrophobicContact CD2-CG2 4.25Å; W60-T96 HydrophobicContact CH2-CG2 4.04Å; W60-T96 HydrophobicContact CZ2-CG2 3.4Å; W60-T96 PolarHBondContact N-O 3.32Å; W60-T96 WeakPolarHBondContact O-CA 3.42Å; W60-T96 WeakPolarHBondContact O-CB 3.5Å; W60-T96 PolarHBondContact O-N 3Å; T96-G206 WeakPolarHBondContact CA-O 3.07Å; T96-V207 HydrophobicContact CG2-CG2 4.39Å
97	F	96.5	Very high	91.6	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.2	174.2	64	-91	0	0	0	111.1	Y57 K58 V59 F99 I110 I177 L182 R205 G206 L208	Y57-F97 HydrophobicContact CE2-CB 4.1Å; K58-F97 VanDerWaalsContact O-CA 3.3Å; K58-F97 WeakPolarHBondContact O-CA 3.36Å; V59-F97 HydrophobicContact CG2-CB 4.5Å; F97-F99 HydrophobicContact CD2-CD1 4.22Å; F97-F99 HydrophobicContact CD2-CE1 4.22Å; F97-F99 HydrophobicContact CE2-CD1 4.48Å; F97-F99 HydrophobicContact CE2-CE1 4.04Å; F97-I110 HydrophobicContact CB-CD1 4.14Å; F97-I110 HydrophobicContact CD1-CD1 3.3Å; F97-I110 HydrophobicContact CD2-CD1 3.53Å; F97-I110 HydrophobicContact CE1-CD1 3.37Å; F97-I110 HydrophobicContact CE2-CD1 3.61Å; F97-I110 HydrophobicContact CG-CD1 3.36Å; F97-I110 HydrophobicContact CZ-CD1 3.51Å; F97-I177 HydrophobicContact CE2-CD1 4.22Å; F97-I177 HydrophobicContact CE2-CG2 4.33Å; F97-I177 HydrophobicContact CZ-CG2 4.41Å; F97-L182 HydrophobicContact CE2-CD1 3.91Å; F97-L182 HydrophobicContact CZ-CD1 4.06Å; F97-R205 VanDerWaalsContact O-CA 3.31Å; F97-R205 WeakPolarHBondContact O-CA 3.48Å; F97-G206 WeakPolarHBondContact CD1-O 3.16Å; F97-G206 VanDerWaalsContact CZ-CA 3.47Å; F97-G206 PolarHBondContact N-O 3.03Å; F97-G206 PolarHBondContact O-N 3.1Å; F97-L208 HydrophobicContact CD1-CD1 4.45Å; F97-L208 HydrophobicContact CD1-CG 4.01Å; F97-L208 HydrophobicContact CE1-CD2 3.9Å; F97-L208 HydrophobicContact CE1-CG 3.83Å
98	S	96.3	Very high	91.6	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155	166.6	70.9	0	0	0	0	112.9	Y57 K58 W60 E203 V204	Y57-S98 CarbonylContact C-O 3.59Å; Y57-S98 WeakPolarHBondContact CA-O 3.07Å; Y57-S98 WeakPolarHBondContact CD2-O 3.34Å; K58-S98 PolarHBondContact N-O 2.88Å; K58-S98 PolarHBondContact O-N 3.32Å; W60-S98 WeakPolarHBondContact CH2-OG 3.45Å; W60-S98 WeakPolarHBondContact CZ3-OG 3.45Å; S98-E203 VanDerWaalsContact CB-OE1 3.24Å; S98-E203 WeakPolarHBondContact CB-OE1 3.49Å; S98-E203 PolarHBondContact OG-OE1 2.8Å; S98-V204 VanDerWaalsContact CA-O 3.22Å; S98-V204 WeakPolarHBondContact CA-O 3.47Å; S98-V204 VanDerWaalsContact CB-O 3.23Å; S98-V204 WeakPolarHBondContact CB-O 3.35Å
99	F	95.3	Very high	91.8	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	171.1	171.5	64.1	-75.2	0	0	0	109.9	Y55 Y57 F97 P101 F108 I177 V179 E203 V204 L233	Y55-F99 CarbonylContact O-C 3.58Å; Y55-F99 VanDerWaalsContact O-CA 3.3Å; Y55-F99 WeakPolarHBondContact O-CA 3.21Å; Y55-F99 WeakPolarHBondContact O-CB 3.16Å; Y57-F99 HydrophobicContact CD2-CB 4.19Å; F97-F99 HydrophobicContact CD2-CD1 4.22Å; F97-F99 HydrophobicContact CD2-CE1 4.22Å; F97-F99 HydrophobicContact CE2-CD1 4.48Å; F97-F99 HydrophobicContact CE2-CE1 4.04Å; F99-P101 HydrophobicContact CD2-CB 4.29Å; F99-P101 HydrophobicContact CE2-CB 3.83Å; F99-P101 HydrophobicContact CE2-CG 4.41Å; F99-F108 HydrophobicContact CE2-CD1 4.23Å; F99-F108 AromaticContact CE2-CD2 3.83Å; F99-F108 HydrophobicContact CE2-CD2 3.83Å; F99-F108 HydrophobicContact CE2-CE1 4.32Å; F99-F108 AromaticContact CE2-CE2 3.9Å; F99-F108 HydrophobicContact CE2-CE2 3.9Å; F99-F108 AromaticContact CE2-CG 3.98Å; F99-F108 HydrophobicContact CE2-CG 3.98Å; F99-F108 HydrophobicContact CE2-CZ 4.15Å; F99-F108 HydrophobicContact CZ-CB 4.33Å; F99-F108 HydrophobicContact CZ-CD2 4.19Å; F99-F108 HydrophobicContact CZ-CG 4.15Å; F99-I177 HydrophobicContact CE1-CD1 3.73Å; F99-I177 HydrophobicContact CE1-CG2 4.39Å; F99-I177 HydrophobicContact CZ-CD1 3.89Å; F99-I177 HydrophobicContact CZ-CG2 4.36Å; F99-V179 HydrophobicContact CZ-CG2 4.06Å; F99-E203 CarbonylContact O-C 3.55Å; F99-E203 WeakPolarHBondContact O-CA 3.31Å; F99-V204 HydrophobicContact CD1-CG2 3.62Å; F99-V204 HydrophobicContact CD2-CG2 4.29Å; F99-V204 HydrophobicContact CE1-CG2 3.41Å; F99-V204 VanDerWaalsContact CE1-CG2 3.41Å; F99-V204 HydrophobicContact CE2-CG2 4.13Å; F99-V204 HydrophobicContact CG-CG2 4.06Å; F99-V204 HydrophobicContact CZ-CG2 3.69Å; F99-V204 PolarHBondContact N-O 3.3Å; F99-V204 WeakPolarHBondContact O-CG2 3.5Å; F99-V204 PolarHBondContact O-N 3.48Å; F99-L233 HydrophobicContact CB-CD2 4Å; F99-L233 HydrophobicContact CD1-CD1 4.31Å; F99-L233 HydrophobicContact CD1-CD2 4.36Å; F99-L233 HydrophobicContact CD2-CD2 3.8Å; F99-L233 HydrophobicContact CE1-CD1 4.15Å; F99-L233 HydrophobicContact CE2-CD1 4.37Å; F99-L233 HydrophobicContact CE2-CD2 4.31Å; F99-L233 HydrophobicContact CG-CD2 3.83Å; F99-L233 HydrophobicContact CZ-CD1 4.18Å
100	R	93.4	Very high	92	Very high	50 Å²	50	45.7 Å²	45.7	19%	0.189	24%	0.243	C	C	.	.			trans	-110.7	97.3	174	-69.1	-172.8	176.9	74.3	15.5	108.8	Y55 I198 L201 E203	Y55-R100 WeakPolarHBondContact CB-O 3.31Å; Y55-R100 WeakPolarHBondContact CD1-O 3.46Å; Y55-R100 PolarHBondContact O-N 3.2Å; R100-I198 HydrophobicContact CB-CG2 4.43Å; R100-I198 WeakPolarHBondContact CD-O 3.23Å; R100-L201 HydrophobicContact CB-CB 4.35Å; R100-L201 WeakPolarHBondContact CD-O 3.3Å; R100-E203 HydrophobicContact CG-CB 4.1Å; R100-E203 IonicContact CZ-OE2 2.8Å; R100-E203 IonicContact NH2-OE2 3.05Å; R100-E203 PolarHBondContact NH2-OE2 3.39Å; R100-E203 VanDerWaalsContact NH2-OE2 3.15Å
101	P	91.3	Very high	92.2	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.052	23%	0.225	C	C	.	.			trans	-64	150.7	178.2	28.2	-35.5	0	0	0	110.3	F99 F108 V179 V204	F99-P101 HydrophobicContact CD2-CB 4.29Å; F99-P101 HydrophobicContact CE2-CB 3.83Å; F99-P101 HydrophobicContact CE2-CG 4.41Å; P101-F108 HydrophobicContact CB-CE2 4.02Å; P101-V179 HydrophobicContact CB-CG1 3.85Å; P101-V179 HydrophobicContact CG-CG1 3.64Å; P101-V204 HydrophobicContact CG-CG1 4.03Å; P101-V204 HydrophobicContact CG-CG2 4.45Å
102	P	88.2	Confident	92.5	Very high	34 Å²	34	34.9 Å²	34.9	22%	0.221	20%	0.197	C	C	.	.			trans	-68	164.8	170.5	29.5	-29.3	0	0	0	111	Y55 T104 M106 F108	Y55-P102 HydrophobicContact CE1-CB 4.09Å; Y55-P102 HydrophobicContact CE1-CG 3.81Å; P102-T104 PolarHBondContact O-N 3.21Å; P102-M106 HydrophobicContact CG-CG 4.17Å; P102-M106 HydrophobicContact CG-SD 3.54Å; P102-M106 VanDerWaalsContact CG-SD 3.54Å; P102-F108 HydrophobicContact CG-CZ 4.39Å
103	V	82.7	Confident	92.6	Very high	127 Å²	127	32.6 Å²	32.6	77%	0.77	18%	0.184	S	C	*	.	S	Bend	trans	-65.1	-33.4	173.2	-177.4	0	0	0	0	111.1	P105 L201	V103-P105 WeakPolarHBondContact O-CD 3.38Å; V103-L201 HydrophobicContact CG2-CD2 3.61Å
104	T	82.6	Confident	92.8	Very high	86 Å²	86	32.5 Å²	32.5	53%	0.528	18%	0.183	S	C	.	.	S	Bend	trans	-69.1	124.8	174.9	-52.3	0	0	0	0	109.8	P102 M106	P102-T104 PolarHBondContact O-N 3.21Å; T104-M106 PolarHBondContact O-N 3.49Å
105	P	83.1	Confident	92.7	Very high	124 Å²	124	32.6 Å²	32.6	81%	0.805	18%	0.183	S	C	*	.			trans	-56	134.1	175.9	-25.3	34.7	0	0	0	111.3	V103	V103-P105 WeakPolarHBondContact O-CD 3.38Å
106	M	88.1	Confident	92.5	Very high	59 Å²	59	33.1 Å²	33.1	29%	0.291	19%	0.185	S	C	.	.			trans	-139.4	141	175.6	-67.9	-178	69.4	0	0	109.3	Y55 P102 T104 F108 A235 F249	Y55-M106 PolarHBondContact OH-SD 2.92Å; Y55-M106 VanDerWaalsContact OH-SD 3.38Å; P102-M106 HydrophobicContact CG-CG 4.17Å; P102-M106 HydrophobicContact CG-SD 3.54Å; P102-M106 VanDerWaalsContact CG-SD 3.54Å; T104-M106 PolarHBondContact O-N 3.49Å; M106-F108 VanDerWaalsContact C-N 3.34Å; M106-F108 HydrophobicContact CB-CD2 4Å; M106-F108 HydrophobicContact CB-CE2 3.64Å; M106-F108 HydrophobicContact CB-CZ 4Å; M106-F108 HydrophobicContact CE-CZ 4.41Å; M106-F108 HydrophobicContact CG-CE2 4.45Å; M106-F108 WeakPolarHBondContact O-CD2 3.26Å; M106-F108 PolarHBondContact O-N 3.36Å; M106-F108 HydrophobicContact SD-CE2 4.38Å; M106-F108 HydrophobicContact SD-CZ 3.9Å; M106-A235 HydrophobicContact CE-CB 3.68Å; M106-F249 HydrophobicContact CE-CE1 4.49Å; M106-F249 HydrophobicContact CE-CE2 3.92Å; M106-F249 HydrophobicContact CE-CZ 3.73Å
107	D	90.6	Very high	92.1	Very high	110 Å²	110	34.2 Å²	34.2	59%	0.588	19%	0.194	S	C	*	.			trans	-78.6	85	175.6	-71.6	-12.5	0	0	0	109.7	W109 A235	D107-W109 VanDerWaalsContact O-CD1 3.26Å; D107-A235 WeakPolarHBondContact O-CA 3.36Å
108	F	94.6	Very high	91.5	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.2	177.6	-73.9	-73.7	0	0	0	112.4	Y55 F99 P101 P102 M106 I177 V179 L233 E234 A235 F249	Y55-F108 AromaticContact CD2-CE1 3.83Å; Y55-F108 HydrophobicContact CD2-CE1 3.83Å; Y55-F108 AromaticContact CD2-CZ 3.97Å; Y55-F108 HydrophobicContact CD2-CZ 3.97Å; Y55-F108 AromaticContact CE2-CE1 3.72Å; Y55-F108 HydrophobicContact CE2-CE1 3.72Å; Y55-F108 AromaticContact CE2-CZ 3.72Å; Y55-F108 HydrophobicContact CE2-CZ 3.72Å; F99-F108 HydrophobicContact CE2-CD1 4.23Å; F99-F108 AromaticContact CE2-CD2 3.83Å; F99-F108 HydrophobicContact CE2-CD2 3.83Å; F99-F108 HydrophobicContact CE2-CE1 4.32Å; F99-F108 AromaticContact CE2-CE2 3.9Å; F99-F108 HydrophobicContact CE2-CE2 3.9Å; F99-F108 AromaticContact CE2-CG 3.98Å; F99-F108 HydrophobicContact CE2-CG 3.98Å; F99-F108 HydrophobicContact CE2-CZ 4.15Å; F99-F108 HydrophobicContact CZ-CB 4.33Å; F99-F108 HydrophobicContact CZ-CD2 4.19Å; F99-F108 HydrophobicContact CZ-CG 4.15Å; P101-F108 HydrophobicContact CB-CE2 4.02Å; P102-F108 HydrophobicContact CG-CZ 4.39Å; M106-F108 VanDerWaalsContact C-N 3.34Å; M106-F108 HydrophobicContact CB-CD2 4Å; M106-F108 HydrophobicContact CB-CE2 3.64Å; M106-F108 HydrophobicContact CB-CZ 4Å; M106-F108 HydrophobicContact CE-CZ 4.41Å; M106-F108 HydrophobicContact CG-CE2 4.45Å; M106-F108 WeakPolarHBondContact O-CD2 3.26Å; M106-F108 PolarHBondContact O-N 3.36Å; M106-F108 HydrophobicContact SD-CE2 4.38Å; M106-F108 HydrophobicContact SD-CZ 3.9Å; F108-I177 HydrophobicContact CB-CB 4.19Å; F108-I177 HydrophobicContact CB-CD1 3.88Å; F108-I177 HydrophobicContact CB-CG1 4.31Å; F108-I177 PolarHBondContact O-N 3.21Å; F108-V179 HydrophobicContact CB-CG2 4.48Å; F108-V179 HydrophobicContact CD2-CG2 3.87Å; F108-L233 HydrophobicContact CB-CD1 4.26Å; F108-L233 HydrophobicContact CD1-CD1 3.74Å; F108-L233 HydrophobicContact CD1-CD2 4.27Å; F108-L233 HydrophobicContact CD1-CG 3.98Å; F108-L233 HydrophobicContact CE1-CD2 4.23Å; F108-L233 HydrophobicContact CE1-CG 4.35Å; F108-L233 HydrophobicContact CG-CD1 4.29Å; F108-E234 CarbonylContact C-O 3.53Å; F108-E234 WeakPolarHBondContact CA-O 3.33Å; F108-A235 HydrophobicContact CD1-CB 4.13Å; F108-A235 HydrophobicContact CE1-CB 4.34Å; F108-F249 HydrophobicContact CE1-CD2 4.49Å
109	W	96.1	Very high	90.7	Very high	35 Å²	35	41.2 Å²	41.2	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.4	176.6	-70.1	69.8	0	0	0	109.7	D107 E156 R174 T175 P176 E234 F246	D107-W109 VanDerWaalsContact O-CD1 3.26Å; W109-E156 WeakPolarHBondContact CH2-OE1 3.29Å; W109-E156 HydrophobicContact CZ3-CG 4.34Å; W109-R174 HydrophobicContact CE3-CB 4.04Å; W109-R174 HydrophobicContact CE3-CG 3.73Å; W109-R174 HydrophobicContact CZ3-CG 3.84Å; W109-T175 WeakPolarHBondContact CA-O 3.45Å; W109-P176 HydrophobicContact CD2-CB 4.12Å; W109-P176 HydrophobicContact CE3-CB 4.26Å; W109-P176 HydrophobicContact CH2-CB 4.09Å; W109-P176 HydrophobicContact CH2-CG 4.18Å; W109-P176 HydrophobicContact CZ2-CB 3.92Å; W109-P176 HydrophobicContact CZ2-CG 4.46Å; W109-P176 HydrophobicContact CZ3-CB 4.26Å; W109-P176 VanDerWaalsContact CZ3-CD 3.49Å; W109-P176 HydrophobicContact CZ3-CG 4.29Å; W109-E234 HydrophobicContact CB-CB 4.47Å; W109-E234 PolarHBondContact N-O 3.08Å; W109-E234 PolarHBondContact O-N 3.45Å; W109-F246 HydrophobicContact CB-CE1 4.1Å; W109-F246 AromaticContact CD1-CE1 3.54Å; W109-F246 HydrophobicContact CD2-CE1 4.13Å; W109-F246 HydrophobicContact CD2-CZ 4.35Å; W109-F246 AromaticContact CG-CE1 3.65Å; W109-F246 HydrophobicContact CG-CE1 3.65Å; W109-F246 HydrophobicContact CG-CZ 4.34Å; W109-F246 AromaticContact NE1-CE1 3.94Å
110	I	96.9	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.8	164.1	-58.6	-178.1	0	0	0	108.1	F97 R174 T175 I177 L208 V231 T232	F97-I110 HydrophobicContact CB-CD1 4.14Å; F97-I110 HydrophobicContact CD1-CD1 3.3Å; F97-I110 HydrophobicContact CD2-CD1 3.53Å; F97-I110 HydrophobicContact CE1-CD1 3.37Å; F97-I110 HydrophobicContact CE2-CD1 3.61Å; F97-I110 HydrophobicContact CG-CD1 3.36Å; F97-I110 HydrophobicContact CZ-CD1 3.51Å; I110-R174 CarbonylContact O-C 3.48Å; I110-R174 WeakPolarHBondContact O-CA 3.22Å; I110-T175 HydrophobicContact CB-CG2 4.46Å; I110-T175 PolarHBondContact N-O 3.19Å; I110-T175 PolarHBondContact O-N 3.41Å; I110-I177 HydrophobicContact CD1-CD1 3.79Å; I110-I177 HydrophobicContact CD1-CG1 4.2Å; I110-I177 HydrophobicContact CG1-CD1 3.4Å; I110-I177 HydrophobicContact CG1-CG1 3.79Å; I110-L208 HydrophobicContact CB-CD1 4.19Å; I110-L208 HydrophobicContact CD1-CD1 4.08Å; I110-L208 HydrophobicContact CG2-CD1 3.77Å; I110-V231 HydrophobicContact CG2-CG1 3.62Å; I110-T232 WeakPolarHBondContact CA-O 3.38Å
111	R	96.5	Very high	89.6	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.2	170.9	178.1	-168.4	-53.4	-82.6	-5.1	110.2	T172 V173 R174 V231 T232 E234	R111-T172 PolarHBondContact NH1-OG1 2.95Å; R111-V173 CarbonylContact C-O 3.54Å; R111-V173 WeakPolarHBondContact CA-O 3.23Å; R111-R174 HydrophobicContact CB-CB 4.09Å; R111-R174 HydrophobicContact CG-CB 4.4Å; R111-V231 CarbonylContact O-C 3.57Å; R111-V231 WeakPolarHBondContact O-CA 3.3Å; R111-T232 WeakPolarHBondContact CB-OG1 3.35Å; R111-T232 PolarHBondContact N-O 3.23Å; R111-T232 PolarHBondContact O-N 2.97Å; R111-T232 PolarHBondContact O-OG1 3.49Å; R111-E234 VanDerWaalsContact CD-OE1 3.31Å; R111-E234 WeakPolarHBondContact CD-OE1 3.44Å; R111-E234 IonicContact CZ-OE2 3.19Å; R111-E234 VanDerWaalsContact CZ-OE2 3.31Å; R111-E234 VanDerWaalsContact NE-CD 3.29Å; R111-E234 IonicContact NE-OE1 2.74Å; R111-E234 PolarHBondContact NE-OE1 2.83Å; R111-E234 IonicContact NE-OE2 2.74Å; R111-E234 PolarHBondContact NE-OE2 3.3Å; R111-E234 IonicContact NH2-OE2 2.76Å; R111-E234 PolarHBondContact NH2-OE2 3.41Å
112	I	97.4	Very high	89	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.2	169.8	-50.7	174.3	0	0	0	109.4	I95 I148 I150 V173 L208 L229 V230 V231	I95-I112 HydrophobicContact CD1-CD1 3.89Å; I112-I148 HydrophobicContact CB-CD1 4.22Å; I112-I148 HydrophobicContact CD1-CD1 3.84Å; I112-I148 HydrophobicContact CG2-CD1 3.61Å; I112-I150 HydrophobicContact CD1-CD1 3.82Å; I112-I150 HydrophobicContact CD1-CG1 3.92Å; I112-I150 HydrophobicContact CG1-CD1 4.21Å; I112-V173 HydrophobicContact CB-CG1 4.02Å; I112-V173 PolarHBondContact N-O 3.26Å; I112-V173 PolarHBondContact O-N 3.08Å; I112-V173 VanDerWaalsContact O-N 3.14Å; I112-L208 HydrophobicContact CD1-CD1 4.35Å; I112-L229 HydrophobicContact CG2-CB 3.9Å; I112-L229 HydrophobicContact CG2-CD1 4.43Å; I112-L229 HydrophobicContact CG2-CD2 4.17Å; I112-L229 HydrophobicContact CG2-CG 4.39Å; I112-V230 WeakPolarHBondContact CA-O 3.23Å; I112-V231 HydrophobicContact CG1-CG1 4.22Å; I112-V231 HydrophobicContact CG1-CG2 4.34Å; I112-V231 HydrophobicContact CG2-CG2 4.42Å
113	T	96.3	Very high	88.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.7	177.9	-54.9	0	0	0	0	109.1	L115 S161 L163 Q170 T172 V230	T113-L115 HydrophobicContact CG2-CD1 4.36Å; T113-L115 HydrophobicContact CG2-CD2 3.86Å; T113-L115 HydrophobicContact CG2-CG 3.92Å; T113-S161 PolarHBondContact OG1-OG 2.91Å; T113-L163 HydrophobicContact CG2-CD1 4.14Å; T113-Q170 HydrophobicContact CG2-CG 3.97Å; T113-T172 HydrophobicContact CG2-CG2 3.65Å; T113-T172 VanDerWaalsContact OG1-CG2 3.29Å; T113-T172 WeakPolarHBondContact OG1-CG2 3.32Å; T113-V230 PolarHBondContact N-O 3.22Å; T113-V230 PolarHBondContact O-N 2.87Å
114	P	95.9	Very high	89.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.2	173.2	30.9	-31.3	0	0	0	110.3	V126 F147 I148 Q170 I171 I227 E228 L229	P114-V126 HydrophobicContact CB-CB 4.15Å; P114-V126 HydrophobicContact CB-CG1 4.02Å; P114-V126 HydrophobicContact CG-CB 4.3Å; P114-V126 HydrophobicContact CG-CG1 4.41Å; P114-F147 HydrophobicContact CB-CD1 3.97Å; P114-F147 HydrophobicContact CG-CB 4.48Å; P114-I148 HydrophobicContact CG-CG2 4.19Å; P114-Q170 VanDerWaalsContact O-CD 3.26Å; P114-Q170 PolarHBondContact O-NE2 3.38Å; P114-Q170 PolarHBondContact O-OE1 3.38Å; P114-I171 WeakPolarHBondContact CD-O 3.21Å; P114-I227 HydrophobicContact CB-CG2 4.09Å; P114-E228 WeakPolarHBondContact CA-O 3.48Å; P114-L229 HydrophobicContact CB-CD2 3.85Å
115	L	93.7	Very high	89.6	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.1	178	-61.9	176.9	0	0	0	110.3	L48 T113 S117 Q170 I227 E228 V230	L48-L115 HydrophobicContact CD1-CD1 3.92Å; L48-L115 HydrophobicContact CD2-CD1 4.44Å; T113-L115 HydrophobicContact CG2-CD1 4.36Å; T113-L115 HydrophobicContact CG2-CD2 3.86Å; T113-L115 HydrophobicContact CG2-CG 3.92Å; L115-S117 PolarHBondContact O-N 2.9Å; L115-Q170 HydrophobicContact CD2-CG 4.23Å; L115-I227 CarbonylContact O-C 3.55Å; L115-I227 VanDerWaalsContact O-CA 3.31Å; L115-I227 WeakPolarHBondContact O-CA 3.45Å; L115-E228 PolarHBondContact N-O 3.27Å; L115-E228 PolarHBondContact O-N 3.19Å; L115-V230 HydrophobicContact CD1-CG2 3.81Å; L115-V230 HydrophobicContact CG-CG2 4.4Å
116	F	91.6	Very high	90.1	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.6	169.8	-73.6	-67.3	0	0	0	110.4	Y118 K121 E124 V126 F219 I227	F116-Y118 VanDerWaalsContact C-N 3.29Å; F116-K121 HydrophobicContact CB-CB 3.82Å; F116-K121 HydrophobicContact CD2-CB 3.9Å; F116-K121 WeakPolarHBondContact CD2-O 3.38Å; F116-K121 HydrophobicContact CG-CB 3.83Å; F116-E124 HydrophobicContact CD2-CB 3.89Å; F116-E124 HydrophobicContact CE2-CB 3.84Å; F116-V126 HydrophobicContact CD1-CG2 4.35Å; F116-V126 HydrophobicContact CD2-CG2 3.67Å; F116-V126 HydrophobicContact CE1-CG2 4.32Å; F116-V126 HydrophobicContact CE2-CG2 3.67Å; F116-V126 HydrophobicContact CG-CG2 4.03Å; F116-V126 HydrophobicContact CZ-CG2 4Å; F116-F219 HydrophobicContact CE1-CB 3.72Å; F116-F219 HydrophobicContact CE1-CG 4.09Å; F116-F219 HydrophobicContact CZ-CB 4.03Å; F116-F219 HydrophobicContact CZ-CD1 4.18Å; F116-F219 HydrophobicContact CZ-CG 4.17Å; F116-I227 HydrophobicContact CD1-CG1 4.07Å; F116-I227 HydrophobicContact CE1-CD1 4.45Å; F116-I227 HydrophobicContact CE1-CG1 4.12Å
117	S	87.2	Confident	90.4	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	24%	0.242	S	C	.	.	S	Bend	trans	-72	-29	176.1	-45.8	0	0	0	0	111.8	L115 A119 E226 E228	L115-S117 PolarHBondContact O-N 2.9Å; S117-A119 PolarHBondContact O-N 3.07Å; S117-E226 PolarHBondContact N-O 3.02Å; S117-E226 PolarHBondContact OG-O 3.21Å; S117-E228 WeakPolarHBondContact OG-CG 3.47Å; S117-E228 PolarHBondContact OG-N 3.34Å
118	Y	83.5	Confident	90.6	Very high	82 Å²	82	38.3 Å²	38.3	32%	0.322	22%	0.216	S	C	.	.	S	Bend	trans	-77.7	123.4	-176.3	-164.3	-121.3	0	0	0	111.1	F116 E120 K121 C122 R224	F116-Y118 VanDerWaalsContact C-N 3.29Å; Y118-E120 VanDerWaalsContact C-N 3.26Å; Y118-E120 HydrophobicContact CD1-CB 3.92Å; Y118-E120 HydrophobicContact CD1-CG 4.31Å; Y118-E120 HydrophobicContact CE1-CB 3.82Å; Y118-E120 HydrophobicContact CE1-CG 3.77Å; Y118-E120 WeakPolarHBondContact CE1-OE2 3.4Å; Y118-E120 PolarHBondContact O-N 2.99Å; Y118-E120 VanDerWaalsContact O-N 3.15Å; Y118-K121 HydrophobicContact CD1-CG 4.35Å; Y118-K121 PolarHBondContact O-N 3.38Å; Y118-C122 PolarHBondContact O-N 3.3Å; Y118-R224 HydrophobicContact CD1-CG 4.37Å; Y118-R224 HydrophobicContact CE1-CG 4.32Å
119	A	78.8	Confident	90.6	Very high	77 Å²	77	39.6 Å²	39.6	64%	0.636	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-55.5	-36	-172	0	0	0	0	0	114	S117 K121 C122	S117-A119 PolarHBondContact O-N 3.07Å; A119-K121 PolarHBondContact O-N 3.38Å; A119-C122 PolarHBondContact O-N 3.11Å; A119-C122 PolarHBondContact O-SG 2.84Å
120	E	81.9	Confident	90.4	Very high	143 Å²	143	47.4 Å²	47.4	67%	0.668	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.5	178.9	-62.7	-177.3	172.7	0	0	113.2	Y118	Y118-E120 VanDerWaalsContact C-N 3.26Å; Y118-E120 HydrophobicContact CD1-CB 3.92Å; Y118-E120 HydrophobicContact CD1-CG 4.31Å; Y118-E120 HydrophobicContact CE1-CB 3.82Å; Y118-E120 HydrophobicContact CE1-CG 3.77Å; Y118-E120 WeakPolarHBondContact CE1-OE2 3.4Å; Y118-E120 PolarHBondContact O-N 2.99Å; Y118-E120 VanDerWaalsContact O-N 3.15Å
121	K	83.9	Confident	90.2	Very high	35 Å²	35	56.7 Å²	56.7	15%	0.152	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-109.2	6.1	-179	-49.2	-168.3	94.6	-123.2	0	112.5	F116 Y118 A119 G123 E124 R224	F116-K121 HydrophobicContact CB-CB 3.82Å; F116-K121 HydrophobicContact CD2-CB 3.9Å; F116-K121 WeakPolarHBondContact CD2-O 3.38Å; F116-K121 HydrophobicContact CG-CB 3.83Å; Y118-K121 HydrophobicContact CD1-CG 4.35Å; Y118-K121 PolarHBondContact O-N 3.38Å; A119-K121 PolarHBondContact O-N 3.38Å; K121-G123 PolarHBondContact O-N 3.41Å; K121-G123 VanDerWaalsContact O-N 3.15Å; K121-E124 HydrophobicContact CB-CG 4.36Å; K121-E124 VanDerWaalsContact CE-OE1 3.28Å; K121-E124 WeakPolarHBondContact CE-OE1 3.3Å; K121-E124 WeakPolarHBondContact CE-OE2 3.39Å; K121-E124 IonicContact NZ-OE1 3.34Å; K121-E124 IonicContact NZ-OE2 3.55Å; K121-E124 PolarHBondContact NZ-OE2 3.34Å; K121-E124 WeakPolarHBondContact O-CB 3.34Å; K121-E124 PolarHBondContact O-N 3.04Å; K121-R224 VanDerWaalsContact CD-O 3.24Å; K121-R224 WeakPolarHBondContact CD-O 3.43Å
122	C	78.9	Confident	90	Very high	73 Å²	73	59.3 Å²	59.3	49%	0.493	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.9	-173.5	69.2	0	0	0	0	113.3	Y118 A119	Y118-C122 PolarHBondContact O-N 3.3Å; A119-C122 PolarHBondContact O-N 3.11Å; A119-C122 PolarHBondContact O-SG 2.84Å
123	G	82.5	Confident	89.7	Confident	58 Å²	58	63.2 Å²	63.2	60%	0.598	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.2	174.6	0	0	0	0	0	114.8	K121 P167	K121-G123 PolarHBondContact O-N 3.41Å; K121-G123 VanDerWaalsContact O-N 3.15Å; G123-P167 WeakPolarHBondContact O-CG 3.16Å
124	E	90.3	Very high	89.4	Confident	90 Å²	90	67.2 Å²	67.2	42%	0.421	35%	0.351	S	S	.	.	S	Bend	trans	-85.2	144.3	177.3	-65.5	-178.8	-154	0	0	111.4	F116 K121	F116-E124 HydrophobicContact CD2-CB 3.89Å; F116-E124 HydrophobicContact CE2-CB 3.84Å; K121-E124 HydrophobicContact CB-CG 4.36Å; K121-E124 VanDerWaalsContact CE-OE1 3.28Å; K121-E124 WeakPolarHBondContact CE-OE1 3.3Å; K121-E124 WeakPolarHBondContact CE-OE2 3.39Å; K121-E124 IonicContact NZ-OE1 3.34Å; K121-E124 IonicContact NZ-OE2 3.55Å; K121-E124 PolarHBondContact NZ-OE2 3.34Å; K121-E124 WeakPolarHBondContact O-CB 3.34Å; K121-E124 PolarHBondContact O-N 3.04Å
125	V	93.4	Very high	88.8	Confident	41 Å²	41	76.6 Å²	76.6	25%	0.248	40%	0.395	C	S	.	.			trans	-76.2	129	176.6	172.8	0	0	0	0	111	Q127 P167 D169	V125-Q127 HydrophobicContact CG1-CB 4.27Å; V125-Q127 HydrophobicContact CG1-CG 4.36Å; V125-P167 HydrophobicContact CG2-CB 3.88Å; V125-D169 HydrophobicContact CG2-CB 4.09Å
126	V	94.6	Very high	88.3	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.408	C	S	.	.			trans	-86	110.4	169.3	-175.3	0	0	0	0	109.4	P114 F116 F147 Q170 I227	P114-V126 HydrophobicContact CB-CB 4.15Å; P114-V126 HydrophobicContact CB-CG1 4.02Å; P114-V126 HydrophobicContact CG-CB 4.3Å; P114-V126 HydrophobicContact CG-CG1 4.41Å; F116-V126 HydrophobicContact CD1-CG2 4.35Å; F116-V126 HydrophobicContact CD2-CG2 3.67Å; F116-V126 HydrophobicContact CE1-CG2 4.32Å; F116-V126 HydrophobicContact CE2-CG2 3.67Å; F116-V126 HydrophobicContact CG-CG2 4.03Å; F116-V126 HydrophobicContact CZ-CG2 4Å; V126-F147 HydrophobicContact CG1-CB 3.82Å; V126-F147 HydrophobicContact CG1-CD1 3.98Å; V126-F147 HydrophobicContact CG1-CD2 4.47Å; V126-F147 HydrophobicContact CG1-CG 3.83Å; V126-Q170 PolarHBondContact O-NE2 3.46Å; V126-I227 HydrophobicContact CG1-CD1 3.67Å; V126-I227 HydrophobicContact CG1-CG1 4.25Å; V126-I227 HydrophobicContact CG1-CG2 4.42Å; V126-I227 HydrophobicContact CG2-CG1 4.44Å
127	Q	94.3	Very high	87.5	Confident	85 Å²	85	82.9 Å²	82.9	40%	0.397	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-142.1	167	176.8	60.8	179.8	-10.6	0	0	110.7	V125 K145 I171 F219	V125-Q127 HydrophobicContact CG1-CB 4.27Å; V125-Q127 HydrophobicContact CG1-CG 4.36Å; Q127-K145 CarbonylContact C-O 3.55Å; Q127-K145 WeakPolarHBondContact CA-O 3.38Å; Q127-K145 WeakPolarHBondContact CB-O 3.17Å; Q127-I171 HydrophobicContact CB-CD1 4.28Å; Q127-F219 WeakPolarHBondContact O-CE1 3.28Å; Q127-F219 VanDerWaalsContact O-CZ 3.25Å; Q127-F219 WeakPolarHBondContact O-CZ 3.49Å
128	R	94.9	Very high	86.9	Confident	14 Å²	14	83.8 Å²	83.8	5%	0.053	46%	0.455	C	S	.	.			trans	-58.7	146.1	175.6	-63.1	-173.8	-163	-168	-0.2	110.8	H132 G144 K145 S146 S213	R128-H132 HydrophobicContact CB-CB 4.41Å; R128-H132 WeakPolarHBondContact CD-O 3.45Å; R128-H132 PolarHBondContact NH1-O 2.79Å; R128-G144 VanDerWaalsContact CD-O 3.31Å; R128-G144 WeakPolarHBondContact CD-O 3.49Å; R128-G144 PolarHBondContact NE-O 2.78Å; R128-K145 WeakPolarHBondContact CG-O 3.28Å; R128-K145 PolarHBondContact N-O 2.87Å; R128-S146 VanDerWaalsContact CG-O 3.31Å; R128-S146 WeakPolarHBondContact CG-O 3.19Å; R128-S146 PolarHBondContact NE-O 2.82Å; R128-S213 PolarHBondContact NE-OG 3.08Å; R128-S213 PolarHBondContact NH2-OG 3.32Å
129	C	93.5	Very high	86.3	Confident	30 Å²	30	84.6 Å²	84.6	20%	0.203	47%	0.472	C	S	.	.			trans	-71.7	160.6	170.2	77.4	0	0	0	0	110	K131 H132 E133 C218	C129-K131 PolarHBondContact O-N 3.33Å; C129-H132 PolarHBondContact O-N 3.05Å; C129-H132 PolarHBondContact SG-ND1 3.29Å; C129-E133 PolarHBondContact O-N 3.37Å; C129-C218 HydrophobicContact CB-CB 4.01Å
130	K	92.2	Very high	86.3	Confident	199 Å²	199	88 Å²	88	87%	0.865	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.7	-179.2	-63.7	-174.4	177.8	-176	0	114.5
131	K	92.7	Very high	86.6	Confident	194 Å²	194	84.9 Å²	84.9	84%	0.843	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.1	178.3	-65.8	-173.9	178.3	-176.6	0	113.7	C129	C129-K131 PolarHBondContact O-N 3.33Å
132	H	93.2	Very high	87	Confident	63 Å²	63	84.4 Å²	84.4	29%	0.292	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-7.6	-177.5	-61.2	132.1	0	0	0	113.1	R128 C129 I134 S213 C214	R128-H132 HydrophobicContact CB-CB 4.41Å; R128-H132 WeakPolarHBondContact CD-O 3.45Å; R128-H132 PolarHBondContact NH1-O 2.79Å; C129-H132 PolarHBondContact O-N 3.05Å; C129-H132 PolarHBondContact SG-ND1 3.29Å; H132-I134 PolarHBondContact O-N 2.75Å; H132-S213 WeakPolarHBondContact CB-O 3.47Å; H132-C214 PolarHBondContact ND1-SG 3.42Å
133	E	91.5	Very high	87.6	Confident	82 Å²	82	83.9 Å²	83.9	38%	0.383	45%	0.447	S	S	.	.			trans	-58.8	127.5	171.7	-173.7	174.5	179	0	0	109.7	C129 K145	C129-E133 PolarHBondContact O-N 3.37Å; E133-K145 HydrophobicContact CG-CG 4.07Å; E133-K145 WeakPolarHBondContact OE1-CE 3.16Å; E133-K145 WeakPolarHBondContact OE1-CG 3.34Å
134	I	89.1	Confident	88.1	Confident	83 Å²	83	81.2 Å²	81.2	43%	0.426	42%	0.42	S	S	.	.			trans	-95.4	123.5	176.5	-64.7	175.4	0	0	0	107.8	H132 T136 G144	H132-I134 PolarHBondContact O-N 2.75Å; I134-T136 HydrophobicContact CG2-CG2 3.95Å; I134-T136 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact O-N 3.07Å; I134-T136 PolarHBondContact O-OG1 3.22Å; I134-G144 PolarHBondContact N-O 3Å; I134-G144 VanDerWaalsContact N-O 3.09Å; I134-G144 WeakPolarHBondContact O-CA 3.13Å
135	Q	82.6	Confident	88.3	Confident	198 Å²	198	80.3 Å²	80.3	93%	0.925	42%	0.415	S	S	*	.			trans	-63.8	112.3	171.7	-65.6	-176.7	13.2	0	0	108.7
136	T	83.4	Confident	88.4	Confident	54 Å²	54	78.4 Å²	78.4	33%	0.331	40%	0.403	S	S	.	.			trans	-129.5	148.6	179	41.7	0	0	0	0	107.9	I134 Y140 I141	I134-T136 HydrophobicContact CG2-CG2 3.95Å; I134-T136 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact O-N 3.07Å; I134-T136 PolarHBondContact O-OG1 3.22Å; T136-Y140 PolarHBondContact OG1-O 3.46Å; T136-I141 WeakPolarHBondContact O-CG1 3Å; T136-I141 WeakPolarHBondContact OG1-CA 3.45Å
137	S	75.5	Confident	88.5	Confident	102 Å²	102	78.4 Å²	78.4	71%	0.713	40%	0.403	S	S	*	.			trans	-108.7	152.1	-180	52	0	0	0	0	111.2
138	G	74.7	Confident	88.6	Confident	56 Å²	56	74.4 Å²	74.4	58%	0.577	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	70.4	-141.3	174	0	0	0	0	0	113.8	Y140 I141	G138-Y140 PolarHBondContact O-N 3.48Å; G138-Y140 VanDerWaalsContact O-N 3.07Å; G138-I141 WeakPolarHBondContact O-CD1 3.33Å; G138-I141 VanDerWaalsContact O-CG1 3.25Å; G138-I141 WeakPolarHBondContact O-CG1 3.39Å; G138-I141 PolarHBondContact O-N 2.92Å
139	S	69.6	Low	88.7	Confident	99 Å²	99	74.9 Å²	74.9	69%	0.692	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-61.5	-15.4	-178.2	52.9	0	0	0	0	114.1
140	Y	80.5	Confident	88.8	Confident	150 Å²	150	73.6 Å²	73.6	59%	0.588	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-87.4	-0.2	-177	-59.8	-76.5	0	0	0	114.6	T136 G138 S142 K143 G144	T136-Y140 PolarHBondContact OG1-O 3.46Å; G138-Y140 PolarHBondContact O-N 3.48Å; G138-Y140 VanDerWaalsContact O-N 3.07Å; Y140-S142 VanDerWaalsContact C-N 3.28Å; Y140-S142 PolarHBondContact O-N 2.76Å; Y140-K143 WeakPolarHBondContact O-CA 3.45Å; Y140-K143 WeakPolarHBondContact O-CB 3.41Å; Y140-K143 PolarHBondContact O-N 3.16Å; Y140-G144 PolarHBondContact O-N 2.95Å
141	I	88.1	Confident	88.8	Confident	77 Å²	77	66.7 Å²	66.7	40%	0.395	35%	0.351	S	S	.	.	H	α-helix	trans	-55.4	-44.2	179.4	-68.2	164.1	0	0	0	111.4	T136 G138 K143 G144 K145	T136-I141 WeakPolarHBondContact O-CG1 3Å; T136-I141 WeakPolarHBondContact OG1-CA 3.45Å; G138-I141 WeakPolarHBondContact O-CD1 3.33Å; G138-I141 VanDerWaalsContact O-CG1 3.25Å; G138-I141 WeakPolarHBondContact O-CG1 3.39Å; G138-I141 PolarHBondContact O-N 2.92Å; I141-K143 VanDerWaalsContact C-N 3.29Å; I141-K143 PolarHBondContact O-N 3.36Å; I141-G144 PolarHBondContact O-N 3.34Å; I141-K145 HydrophobicContact CG2-CD 4.38Å; I141-K145 PolarHBondContact O-N 3.29Å; I141-K145 VanDerWaalsContact O-N 3.16Å
142	S	91.1	Very high	88.5	Confident	25 Å²	25	59.7 Å²	59.7	18%	0.175	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-39.1	177.6	-57.8	0	0	0	0	111.6	Y140 K145 S146	Y140-S142 VanDerWaalsContact C-N 3.28Å; Y140-S142 PolarHBondContact O-N 2.76Å; S142-K145 PolarHBondContact O-N 2.74Å; S142-S146 WeakPolarHBondContact O-CB 3.26Å; S142-S146 PolarHBondContact O-N 2.74Å
143	K	92.7	Very high	88.1	Confident	62 Å²	62	66.2 Å²	66.2	27%	0.27	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.9	-178	172.1	-177.6	170.8	0	111.7	Y140 I141 K145 S146 E149 Y157	Y140-K143 WeakPolarHBondContact O-CA 3.45Å; Y140-K143 WeakPolarHBondContact O-CB 3.41Å; Y140-K143 PolarHBondContact O-N 3.16Å; I141-K143 VanDerWaalsContact C-N 3.29Å; I141-K143 PolarHBondContact O-N 3.36Å; K143-K145 PolarHBondContact O-N 3.02Å; K143-S146 PolarHBondContact O-N 2.95Å; K143-E149 WeakPolarHBondContact CE-OE1 3.41Å; K143-E149 IonicContact NZ-OE1 3.83Å; K143-E149 PolarHBondContact NZ-OE1 2.69Å; K143-Y157 HydrophobicContact CB-CD1 4.14Å; K143-Y157 HydrophobicContact CB-CD2 3.81Å; K143-Y157 HydrophobicContact CB-CE1 4.2Å; K143-Y157 HydrophobicContact CB-CE2 3.93Å; K143-Y157 HydrophobicContact CB-CG 3.94Å; K143-Y157 HydrophobicContact CD-CD2 4.31Å; K143-Y157 HydrophobicContact CD-CE2 3.7Å; K143-Y157 HydrophobicContact CG-CD2 4.16Å; K143-Y157 HydrophobicContact CG-CE1 4.08Å; K143-Y157 HydrophobicContact CG-CE2 3.73Å
144	G	92.7	Very high	88.1	Confident	2 Å²	2	65.9 Å²	65.9	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-27	177.2	0	0	0	0	0	114.3	R128 I134 Y140 I141	R128-G144 VanDerWaalsContact CD-O 3.31Å; R128-G144 WeakPolarHBondContact CD-O 3.49Å; R128-G144 PolarHBondContact NE-O 2.78Å; I134-G144 PolarHBondContact N-O 3Å; I134-G144 VanDerWaalsContact N-O 3.09Å; I134-G144 WeakPolarHBondContact O-CA 3.13Å; Y140-G144 PolarHBondContact O-N 2.95Å; I141-G144 PolarHBondContact O-N 3.34Å
145	K	94.7	Very high	88.3	Confident	71 Å²	71	62.8 Å²	62.8	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-97.2	-17.4	177.1	-69.9	178.6	176.4	178.7	0	114.3	Q127 R128 E133 I141 S142 K143 F147 I171	Q127-K145 CarbonylContact C-O 3.55Å; Q127-K145 WeakPolarHBondContact CA-O 3.38Å; Q127-K145 WeakPolarHBondContact CB-O 3.17Å; R128-K145 WeakPolarHBondContact CG-O 3.28Å; R128-K145 PolarHBondContact N-O 2.87Å; E133-K145 HydrophobicContact CG-CG 4.07Å; E133-K145 WeakPolarHBondContact OE1-CE 3.16Å; E133-K145 WeakPolarHBondContact OE1-CG 3.34Å; I141-K145 HydrophobicContact CG2-CD 4.38Å; I141-K145 PolarHBondContact O-N 3.29Å; I141-K145 VanDerWaalsContact O-N 3.16Å; S142-K145 PolarHBondContact O-N 2.74Å; K143-K145 PolarHBondContact O-N 3.02Å; K145-F147 PolarHBondContact O-N 3.23Å; K145-I171 HydrophobicContact CB-CD1 3.41Å; K145-I171 VanDerWaalsContact CB-CD1 3.41Å
146	S	95.6	Very high	88.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-64.3	133	-174.8	-172.4	0	0	0	0	112.2	R128 S142 K143 I148	R128-S146 VanDerWaalsContact CG-O 3.31Å; R128-S146 WeakPolarHBondContact CG-O 3.19Å; R128-S146 PolarHBondContact NE-O 2.82Å; S142-S146 WeakPolarHBondContact O-CB 3.26Å; S142-S146 PolarHBondContact O-N 2.74Å; K143-S146 PolarHBondContact O-N 2.95Å; S146-I148 VanDerWaalsContact C-N 3.31Å; S146-I148 WeakPolarHBondContact CB-O 3.33Å; S146-I148 PolarHBondContact OG-N 3.37Å; S146-I148 PolarHBondContact OG-O 3.31Å
147	F	96.4	Very high	89.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-67	-33.6	174.2	173.6	-110.9	0	0	0	112.7	P114 V126 K145 L212 S213 C214 F219 I227 V256	P114-F147 HydrophobicContact CB-CD1 3.97Å; P114-F147 HydrophobicContact CG-CB 4.48Å; V126-F147 HydrophobicContact CG1-CB 3.82Å; V126-F147 HydrophobicContact CG1-CD1 3.98Å; V126-F147 HydrophobicContact CG1-CD2 4.47Å; V126-F147 HydrophobicContact CG1-CG 3.83Å; K145-F147 PolarHBondContact O-N 3.23Å; F147-L212 HydrophobicContact CD1-CD2 4.17Å; F147-L212 HydrophobicContact CE1-CD1 4.06Å; F147-L212 HydrophobicContact CE1-CD2 3.75Å; F147-L212 HydrophobicContact CE1-CG 4.36Å; F147-L212 HydrophobicContact CZ-CB 4.25Å; F147-L212 HydrophobicContact CZ-CD1 3.9Å; F147-L212 HydrophobicContact CZ-CD2 4.19Å; F147-L212 HydrophobicContact CZ-CG 4.34Å; F147-L212 WeakPolarHBondContact O-CA 3.17Å; F147-S213 PolarHBondContact O-N 3.4Å; F147-C214 HydrophobicContact CD2-CB 3.79Å; F147-C214 HydrophobicContact CE2-CB 3.9Å; F147-C214 WeakPolarHBondContact CE2-O 3.47Å; F147-F219 AromaticContact CD2-CE2 3.82Å; F147-F219 HydrophobicContact CD2-CE2 3.82Å; F147-F219 AromaticContact CD2-CZ 3.88Å; F147-F219 HydrophobicContact CD2-CZ 3.88Å; F147-F219 AromaticContact CE2-CE2 3.63Å; F147-F219 HydrophobicContact CE2-CE2 3.63Å; F147-F219 HydrophobicContact CE2-CZ 4.17Å; F147-F219 HydrophobicContact CZ-CE2 4.45Å; F147-I227 HydrophobicContact CD1-CD1 4.3Å; F147-I227 HydrophobicContact CD1-CG2 4.37Å; F147-I227 HydrophobicContact CE1-CB 4.47Å; F147-I227 HydrophobicContact CE1-CD1 3.8Å; F147-I227 HydrophobicContact CE1-CG2 3.95Å; F147-I227 HydrophobicContact CE2-CD1 4.08Å; F147-I227 HydrophobicContact CZ-CD1 3.68Å; F147-V256 HydrophobicContact CE1-CG2 4.25Å
148	I	96.9	Very high	90.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.1	-179.5	-174.1	170.2	0	0	0	110.8	I112 P114 S146 V173 C210 R211 L212 L229	I112-I148 HydrophobicContact CB-CD1 4.22Å; I112-I148 HydrophobicContact CD1-CD1 3.84Å; I112-I148 HydrophobicContact CG2-CD1 3.61Å; P114-I148 HydrophobicContact CG-CG2 4.19Å; S146-I148 VanDerWaalsContact C-N 3.31Å; S146-I148 WeakPolarHBondContact CB-O 3.33Å; S146-I148 PolarHBondContact OG-N 3.37Å; S146-I148 PolarHBondContact OG-O 3.31Å; I148-V173 HydrophobicContact CG2-CG1 3.83Å; I148-C210 HydrophobicContact CD1-CB 4.48Å; I148-R211 WeakPolarHBondContact CA-O 3.35Å; I148-L212 HydrophobicContact CB-CD2 4.03Å; I148-L212 HydrophobicContact CD1-CD2 4.35Å; I148-L212 HydrophobicContact CG1-CD2 4Å; I148-L229 HydrophobicContact CD1-CD1 3.71Å; I148-L229 HydrophobicContact CD1-CD2 4.05Å; I148-L229 HydrophobicContact CD1-CG 4.48Å
149	E	95.5	Very high	91	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.3	170.7	166.1	171.1	-148	0	0	109.5	K143 L151 Y157 C210 R211	K143-E149 WeakPolarHBondContact CE-OE1 3.41Å; K143-E149 IonicContact NZ-OE1 3.83Å; K143-E149 PolarHBondContact NZ-OE1 2.69Å; E149-L151 HydrophobicContact CG-CD2 3.96Å; E149-Y157 VanDerWaalsContact CA-OH 3.28Å; E149-Y157 WeakPolarHBondContact CA-OH 3.34Å; E149-Y157 WeakPolarHBondContact CB-OH 3.46Å; E149-Y157 WeakPolarHBondContact CG-OH 3.34Å; E149-C210 CarbonylContact O-C 3.59Å; E149-C210 WeakPolarHBondContact O-CA 3.4Å; E149-R211 HydrophobicContact CB-CB 4.49Å; E149-R211 PolarHBondContact N-O 2.88Å; E149-R211 PolarHBondContact O-N 2.93Å
150	I	96.1	Very high	91.8	Very high	3 Å²	3	51 Å²	51	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.2	162.2	-60.8	177.3	0	0	0	106.9	I112 G152 S155 V173 T175 L208	I112-I150 HydrophobicContact CD1-CD1 3.82Å; I112-I150 HydrophobicContact CD1-CG1 3.92Å; I112-I150 HydrophobicContact CG1-CD1 4.21Å; I150-G152 PolarHBondContact O-N 2.78Å; I150-S155 PolarHBondContact O-OG 3.12Å; I150-V173 HydrophobicContact CB-CG2 4.13Å; I150-V173 HydrophobicContact CD1-CB 4.44Å; I150-V173 HydrophobicContact CD1-CG1 3.83Å; I150-V173 HydrophobicContact CD1-CG2 3.91Å; I150-V173 HydrophobicContact CG1-CG1 3.79Å; I150-V173 HydrophobicContact CG1-CG2 3.92Å; I150-T175 HydrophobicContact CD1-CG2 4.06Å; I150-T175 HydrophobicContact CG2-CG2 4.47Å; I150-L208 HydrophobicContact CD1-CD1 4.32Å
151	L	93	Very high	92	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.288	25%	0.25	S	C	.	.			trans	-80	111.9	175.2	-58.7	-179.5	0	0	0	108.7	V92 E149 Y209 R211	V92-L151 HydrophobicContact CB-CD1 4.33Å; V92-L151 HydrophobicContact CG1-CD1 3.76Å; V92-L151 HydrophobicContact CG2-CD1 3.63Å; E149-L151 HydrophobicContact CG-CD2 3.96Å; L151-Y209 VanDerWaalsContact CB-O 3.32Å; L151-Y209 WeakPolarHBondContact CB-O 3.33Å; L151-Y209 WeakPolarHBondContact CG-O 3.25Å; L151-Y209 PolarHBondContact N-O 3.11Å; L151-R211 HydrophobicContact CD1-CG 4.28Å; L151-R211 HydrophobicContact CD2-CG 4.31Å; L151-R211 HydrophobicContact CG-CG 4.47Å
152	G	86.5	Confident	91.8	Very high	46 Å²	46	44.4 Å²	44.4	47%	0.474	25%	0.247	S	C	.	.	S	Bend	trans	164.3	147	-179.4	0	0	0	0	0	109.4	I150 S154 S155	I150-G152 PolarHBondContact O-N 2.78Å; G152-S154 VanDerWaalsContact C-N 3.3Å; G152-S155 PolarHBondContact O-OG 3.42Å
153	E	83.6	Confident	91.5	Very high	201 Å²	201	43.9 Å²	43.9	94%	0.939	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.9	-177.7	-63.5	-178.1	174.6	0	0	111.9	S155	E153-S155 PolarHBondContact O-N 2.86Å
154	S	91.7	Very high	90.7	Very high	74 Å²	74	42.7 Å²	42.7	52%	0.517	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	8.9	-179.1	-39.3	0	0	0	0	114.4	G152 P176	G152-S154 VanDerWaalsContact C-N 3.3Å; S154-P176 WeakPolarHBondContact O-CD 3.43Å
155	S	93.5	Very high	89.8	Confident	19 Å²	19	47.6 Å²	47.6	13%	0.133	27%	0.268	C	S	.	.			trans	-82.1	126.8	-179	61.6	0	0	0	0	111.8	I150 G152 E153 R174	I150-S155 PolarHBondContact O-OG 3.12Å; G152-S155 PolarHBondContact O-OG 3.42Å; E153-S155 PolarHBondContact O-N 2.86Å; S155-R174 CarbonylContact C-O 3.58Å; S155-R174 WeakPolarHBondContact CA-O 3.15Å
156	E	93.7	Very high	89.3	Confident	79 Å²	79	45.2 Å²	45.2	37%	0.369	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.2	-179.9	-62.7	179.5	178.9	0	0	110.6	W109 V173 R174	W109-E156 WeakPolarHBondContact CH2-OE1 3.29Å; W109-E156 HydrophobicContact CZ3-CG 4.34Å; E156-V173 CarbonylContact O-C 3.54Å; E156-V173 WeakPolarHBondContact O-CA 3.46Å; E156-R174 HydrophobicContact CB-CG 3.93Å; E156-R174 PolarHBondContact N-O 2.9Å; E156-R174 PolarHBondContact O-N 2.97Å; E156-R174 IonicContact OE2-CZ 2.87Å; E156-R174 IonicContact OE2-NE 3.38Å; E156-R174 PolarHBondContact OE2-NE 3.25Å; E156-R174 IonicContact OE2-NH2 3.22Å; E156-R174 PolarHBondContact OE2-NH2 3.3Å
157	Y	94.4	Very high	88.9	Confident	32 Å²	32	46 Å²	46	13%	0.125	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.6	178.3	-66.9	-101.7	0	0	0	109	K143 E149 I171 T172 V173	K143-Y157 HydrophobicContact CB-CD1 4.14Å; K143-Y157 HydrophobicContact CB-CD2 3.81Å; K143-Y157 HydrophobicContact CB-CE1 4.2Å; K143-Y157 HydrophobicContact CB-CE2 3.93Å; K143-Y157 HydrophobicContact CB-CG 3.94Å; K143-Y157 HydrophobicContact CD-CD2 4.31Å; K143-Y157 HydrophobicContact CD-CE2 3.7Å; K143-Y157 HydrophobicContact CG-CD2 4.16Å; K143-Y157 HydrophobicContact CG-CE1 4.08Å; K143-Y157 HydrophobicContact CG-CE2 3.73Å; E149-Y157 VanDerWaalsContact CA-OH 3.28Å; E149-Y157 WeakPolarHBondContact CA-OH 3.34Å; E149-Y157 WeakPolarHBondContact CB-OH 3.46Å; E149-Y157 WeakPolarHBondContact CG-OH 3.34Å; Y157-I171 HydrophobicContact CD1-CG2 4.36Å; Y157-T172 WeakPolarHBondContact CA-O 3.37Å; Y157-V173 HydrophobicContact CD1-CB 4.09Å; Y157-V173 HydrophobicContact CD1-CG2 4.22Å; Y157-V173 HydrophobicContact CD2-CG2 4.41Å; Y157-V173 HydrophobicContact CE1-CB 3.94Å; Y157-V173 HydrophobicContact CE1-CG2 3.86Å; Y157-V173 HydrophobicContact CE2-CG2 4.03Å; Y157-V173 HydrophobicContact CG-CG2 4.49Å
158	V	92.2	Very high	88.4	Confident	34 Å²	34	56.6 Å²	56.6	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.5	-177	-57.9	0	0	0	0	110.9	T172	V158-T172 VanDerWaalsContact CG2-OG1 3.28Å; V158-T172 WeakPolarHBondContact CG2-OG1 3.24Å; V158-T172 PolarHBondContact N-O 3.08Å; V158-T172 PolarHBondContact O-N 3.18Å
159	L	92.3	Very high	88.2	Confident	104 Å²	104	62.1 Å²	62.1	55%	0.545	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.8	173.8	-61.9	177.1	0	0	0	109.5	Q170 I171	L159-Q170 CarbonylContact C-O 3.51Å; L159-I171 HydrophobicContact CD2-CG1 3.72Å
160	G	87.5	Confident	88.1	Confident	12 Å²	12	61 Å²	61	12%	0.124	33%	0.33	C	S	.	.	S	Bend	trans	81.2	-179.6	-176.1	0	0	0	0	0	113.5	R168 Q170 T172	G160-R168 WeakPolarHBondContact CA-O 3.38Å; G160-R168 PolarHBondContact N-O 2.9Å; G160-R168 VanDerWaalsContact N-O 3.09Å; G160-Q170 PolarHBondContact N-O 3.2Å; G160-T172 WeakPolarHBondContact O-CG2 3.43Å; G160-T172 PolarHBondContact O-OG1 3.3Å
161	S	84.7	Confident	88.1	Confident	31 Å²	31	61.1 Å²	61.1	22%	0.217	33%	0.33	C	S	.	.			trans	-149.1	160.6	177.9	-170.7	0	0	0	0	109.1	T113 L163	T113-S161 PolarHBondContact OG1-OG 2.91Å; S161-L163 PolarHBondContact O-N 3.46Å; S161-L163 WeakPolarHBondContact OG-CG 3.17Å; S161-L163 PolarHBondContact OG-N 2.78Å
162	T	83.4	Confident	88.2	Confident	57 Å²	57	58.5 Å²	58.5	35%	0.35	32%	0.316	S	S	.	.	S	Bend	trans	-72.5	-8.9	168.9	49	0	0	0	0	112.6	E234 F246 I248	T162-E234 PolarHBondContact OG1-OE1 3.42Å; T162-F246 HydrophobicContact CG2-CB 3.88Å; T162-I248 WeakPolarHBondContact OG1-CD1 3.47Å; T162-I248 WeakPolarHBondContact OG1-CG1 3.21Å
163	L	84.8	Confident	88.7	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.073	29%	0.294	C	S	.	.	S	Bend	trans	-64.9	132.9	174.9	-65.1	170.1	0	0	0	111.7	L48 T113 S161 C166 V230 T232 I248 L251	L48-L163 HydrophobicContact CD2-CB 4.31Å; L48-L163 HydrophobicContact CD2-CD1 4.25Å; L48-L163 HydrophobicContact CD2-CD2 4.06Å; L48-L163 HydrophobicContact CD2-CG 4.45Å; T113-L163 HydrophobicContact CG2-CD1 4.14Å; S161-L163 PolarHBondContact O-N 3.46Å; S161-L163 WeakPolarHBondContact OG-CG 3.17Å; S161-L163 PolarHBondContact OG-N 2.78Å; L163-C166 HydrophobicContact CB-CB 4.09Å; L163-C166 WeakPolarHBondContact O-CB 3.25Å; L163-C166 PolarHBondContact O-N 2.83Å; L163-V230 HydrophobicContact CD1-CB 4.07Å; L163-V230 HydrophobicContact CD1-CG1 3.67Å; L163-V230 HydrophobicContact CD2-CG1 4.24Å; L163-T232 HydrophobicContact CD2-CG2 3.93Å; L163-I248 HydrophobicContact CD2-CD1 3.72Å; L163-I248 HydrophobicContact CG-CD1 4.34Å; L163-L251 HydrophobicContact CD2-CD1 3.48Å; L163-L251 VanDerWaalsContact CD2-CD1 3.48Å
164	S	75	Confident	89.2	Confident	38 Å²	38	47.1 Å²	47.1	27%	0.266	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	144	166	50	0	0	0	0	110.5	Y45 S46 C166	Y45-S164 PolarHBondContact O-OG 2.82Å; S46-S164 VanDerWaalsContact CA-OG 3.23Å; S46-S164 WeakPolarHBondContact CA-OG 2.9Å; S164-C166 PolarHBondContact O-N 3.48Å; S164-C166 VanDerWaalsContact O-N 3.08Å
165	N	74.3	Confident	89.4	Confident	105 Å²	105	44.4 Å²	44.4	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	10.6	179.4	-60.6	-19.2	0	0	0	116.4	D344	N165-D344 PolarHBondContact ND2-OD2 2.94Å
166	C	83.5	Confident	89.6	Confident	20 Å²	20	45.9 Å²	45.9	14%	0.135	24%	0.24	C	C	.	.			trans	-73.5	132.8	169.6	-171.6	0	0	0	0	110.3	L163 S164 R168	L163-C166 HydrophobicContact CB-CB 4.09Å; L163-C166 WeakPolarHBondContact O-CB 3.25Å; L163-C166 PolarHBondContact O-N 2.83Å; S164-C166 PolarHBondContact O-N 3.48Å; S164-C166 VanDerWaalsContact O-N 3.08Å; C166-R168 PolarHBondContact O-N 3.2Å
167	P	87.1	Confident	89.6	Confident	19 Å²	19	43.1 Å²	43.1	12%	0.123	23%	0.227	C	C	.	.			trans	-56.3	135.4	172.7	-22.8	32.6	0	0	0	111	G123 V125 D169 Q170	G123-P167 WeakPolarHBondContact O-CG 3.16Å; V125-P167 HydrophobicContact CG2-CB 3.88Å; P167-D169 PolarHBondContact O-N 2.78Å; P167-Q170 HydrophobicContact CB-CB 4.19Å; P167-Q170 WeakPolarHBondContact O-CB 3.44Å; P167-Q170 PolarHBondContact O-N 2.8Å
168	R	87.6	Confident	89.5	Confident	222 Å²	222	46.3 Å²	46.3	84%	0.838	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.2	-178.1	-67.1	-175	-172.5	177.1	1.8	113	G160 C166 Q170	G160-R168 WeakPolarHBondContact CA-O 3.38Å; G160-R168 PolarHBondContact N-O 2.9Å; G160-R168 VanDerWaalsContact N-O 3.09Å; C166-R168 PolarHBondContact O-N 3.2Å; R168-Q170 VanDerWaalsContact C-N 3.32Å
169	D	91.7	Very high	89.5	Confident	116 Å²	116	45.8 Å²	45.8	62%	0.62	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	7.1	-179.6	-55.6	-37.1	0	0	0	112.7	V125 P167 I171	V125-D169 HydrophobicContact CG2-CB 4.09Å; P167-D169 PolarHBondContact O-N 2.78Å; D169-I171 PolarHBondContact O-N 3.34Å
170	Q	94.6	Very high	89.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.			trans	-65.8	124.2	177.6	-178.7	53.7	60.3	0	0	110	T113 P114 L115 V126 L159 G160 P167 R168 T172	T113-Q170 HydrophobicContact CG2-CG 3.97Å; P114-Q170 VanDerWaalsContact O-CD 3.26Å; P114-Q170 PolarHBondContact O-NE2 3.38Å; P114-Q170 PolarHBondContact O-OE1 3.38Å; L115-Q170 HydrophobicContact CD2-CG 4.23Å; V126-Q170 PolarHBondContact O-NE2 3.46Å; L159-Q170 CarbonylContact C-O 3.51Å; G160-Q170 PolarHBondContact N-O 3.2Å; P167-Q170 HydrophobicContact CB-CB 4.19Å; P167-Q170 WeakPolarHBondContact O-CB 3.44Å; P167-Q170 PolarHBondContact O-N 2.8Å; R168-Q170 VanDerWaalsContact C-N 3.32Å; Q170-T172 HydrophobicContact CG-CG2 4.3Å; Q170-T172 PolarHBondContact O-N 3.4Å
171	I	95.3	Very high	89.3	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.1	174.7	-57.1	164.1	0	0	0	108.3	P114 Q127 K145 Y157 L159 D169	P114-I171 WeakPolarHBondContact CD-O 3.21Å; Q127-I171 HydrophobicContact CB-CD1 4.28Å; K145-I171 HydrophobicContact CB-CD1 3.41Å; K145-I171 VanDerWaalsContact CB-CD1 3.41Å; Y157-I171 HydrophobicContact CD1-CG2 4.36Å; L159-I171 HydrophobicContact CD2-CG1 3.72Å; D169-I171 PolarHBondContact O-N 3.34Å
172	T	95.4	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.2	173.5	68.5	0	0	0	0	110.2	R111 T113 Y157 V158 G160 Q170	R111-T172 PolarHBondContact NH1-OG1 2.95Å; T113-T172 HydrophobicContact CG2-CG2 3.65Å; T113-T172 VanDerWaalsContact OG1-CG2 3.29Å; T113-T172 WeakPolarHBondContact OG1-CG2 3.32Å; Y157-T172 WeakPolarHBondContact CA-O 3.37Å; V158-T172 VanDerWaalsContact CG2-OG1 3.28Å; V158-T172 WeakPolarHBondContact CG2-OG1 3.24Å; V158-T172 PolarHBondContact N-O 3.08Å; V158-T172 PolarHBondContact O-N 3.18Å; G160-T172 WeakPolarHBondContact O-CG2 3.43Å; G160-T172 PolarHBondContact O-OG1 3.3Å; Q170-T172 HydrophobicContact CG-CG2 4.3Å; Q170-T172 PolarHBondContact O-N 3.4Å
173	V	96.1	Very high	89.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.2	176.4	60.5	0	0	0	0	108.6	R111 I112 I148 I150 E156 Y157	R111-V173 CarbonylContact C-O 3.54Å; R111-V173 WeakPolarHBondContact CA-O 3.23Å; I112-V173 HydrophobicContact CB-CG1 4.02Å; I112-V173 PolarHBondContact N-O 3.26Å; I112-V173 PolarHBondContact O-N 3.08Å; I112-V173 VanDerWaalsContact O-N 3.14Å; I148-V173 HydrophobicContact CG2-CG1 3.83Å; I150-V173 HydrophobicContact CB-CG2 4.13Å; I150-V173 HydrophobicContact CD1-CB 4.44Å; I150-V173 HydrophobicContact CD1-CG1 3.83Å; I150-V173 HydrophobicContact CD1-CG2 3.91Å; I150-V173 HydrophobicContact CG1-CG1 3.79Å; I150-V173 HydrophobicContact CG1-CG2 3.92Å; E156-V173 CarbonylContact O-C 3.54Å; E156-V173 WeakPolarHBondContact O-CA 3.46Å; Y157-V173 HydrophobicContact CD1-CB 4.09Å; Y157-V173 HydrophobicContact CD1-CG2 4.22Å; Y157-V173 HydrophobicContact CD2-CG2 4.41Å; Y157-V173 HydrophobicContact CE1-CB 3.94Å; Y157-V173 HydrophobicContact CE1-CG2 3.86Å; Y157-V173 HydrophobicContact CE2-CG2 4.03Å; Y157-V173 HydrophobicContact CG-CG2 4.49Å
174	R	95.4	Very high	89.5	Confident	9 Å²	9	58 Å²	58	3%	0.034	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	153.5	176.1	67.1	176.2	-176.8	-152.5	-5.6	111	W109 I110 R111 S155 E156 E244	W109-R174 HydrophobicContact CE3-CB 4.04Å; W109-R174 HydrophobicContact CE3-CG 3.73Å; W109-R174 HydrophobicContact CZ3-CG 3.84Å; I110-R174 CarbonylContact O-C 3.48Å; I110-R174 WeakPolarHBondContact O-CA 3.22Å; R111-R174 HydrophobicContact CB-CB 4.09Å; R111-R174 HydrophobicContact CG-CB 4.4Å; S155-R174 CarbonylContact C-O 3.58Å; S155-R174 WeakPolarHBondContact CA-O 3.15Å; E156-R174 HydrophobicContact CB-CG 3.93Å; E156-R174 PolarHBondContact N-O 2.9Å; E156-R174 PolarHBondContact O-N 2.97Å; E156-R174 IonicContact OE2-CZ 2.87Å; E156-R174 IonicContact OE2-NE 3.38Å; E156-R174 PolarHBondContact OE2-NE 3.25Å; E156-R174 IonicContact OE2-NH2 3.22Å; E156-R174 PolarHBondContact OE2-NH2 3.3Å; R174-E244 IonicContact CZ-OE2 3.15Å; R174-E244 IonicContact NH1-OE2 3.81Å; R174-E244 PolarHBondContact NH1-OE2 3Å; R174-E244 VanDerWaalsContact NH2-CD 3.34Å; R174-E244 IonicContact NH2-OE1 2.93Å; R174-E244 PolarHBondContact NH2-OE1 3.3Å; R174-E244 IonicContact NH2-OE2 3.9Å; R174-E244 PolarHBondContact NH2-OE2 3.02Å
175	T	96.2	Very high	89.5	Confident	16 Å²	16	59.7 Å²	59.7	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.7	175.2	-173.8	0	0	0	0	109.2	W109 I110 I150 L208	W109-T175 WeakPolarHBondContact CA-O 3.45Å; I110-T175 HydrophobicContact CB-CG2 4.46Å; I110-T175 PolarHBondContact N-O 3.19Å; I110-T175 PolarHBondContact O-N 3.41Å; I150-T175 HydrophobicContact CD1-CG2 4.06Å; I150-T175 HydrophobicContact CG2-CG2 4.47Å; T175-L208 HydrophobicContact CG2-CD2 3.82Å
176	P	95.8	Very high	89	Confident	51 Å²	51	58.1 Å²	58.1	33%	0.331	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	151.8	174	29.5	-33.2	0	0	0	110.1	W109 S154	W109-P176 HydrophobicContact CD2-CB 4.12Å; W109-P176 HydrophobicContact CE3-CB 4.26Å; W109-P176 HydrophobicContact CH2-CB 4.09Å; W109-P176 HydrophobicContact CH2-CG 4.18Å; W109-P176 HydrophobicContact CZ2-CB 3.92Å; W109-P176 HydrophobicContact CZ2-CG 4.46Å; W109-P176 HydrophobicContact CZ3-CB 4.26Å; W109-P176 VanDerWaalsContact CZ3-CD 3.49Å; W109-P176 HydrophobicContact CZ3-CG 4.29Å; S154-P176 WeakPolarHBondContact O-CD 3.43Å
177	I	94.4	Very high	87.2	Confident	20 Å²	20	63 Å²	63	10%	0.103	33%	0.326	C	S	.	.			trans	-107.3	119.6	174.7	-50.5	177	0	0	0	108.8	F97 F99 F108 I110 V179 L182 L233	F97-I177 HydrophobicContact CE2-CD1 4.22Å; F97-I177 HydrophobicContact CE2-CG2 4.33Å; F97-I177 HydrophobicContact CZ-CG2 4.41Å; F99-I177 HydrophobicContact CE1-CD1 3.73Å; F99-I177 HydrophobicContact CE1-CG2 4.39Å; F99-I177 HydrophobicContact CZ-CD1 3.89Å; F99-I177 HydrophobicContact CZ-CG2 4.36Å; F108-I177 HydrophobicContact CB-CB 4.19Å; F108-I177 HydrophobicContact CB-CD1 3.88Å; F108-I177 HydrophobicContact CB-CG1 4.31Å; F108-I177 PolarHBondContact O-N 3.21Å; I110-I177 HydrophobicContact CD1-CD1 3.79Å; I110-I177 HydrophobicContact CD1-CG1 4.2Å; I110-I177 HydrophobicContact CG1-CD1 3.4Å; I110-I177 HydrophobicContact CG1-CG1 3.79Å; I177-V179 HydrophobicContact CG2-CG2 4.13Å; I177-V179 PolarHBondContact O-N 2.96Å; I177-V179 VanDerWaalsContact O-N 3.12Å; I177-L182 HydrophobicContact CG2-CD1 3.57Å; I177-L233 HydrophobicContact CD1-CD1 3.68Å
178	D	92.3	Very high	85.3	Confident	99 Å²	99	71 Å²	71	53%	0.529	36%	0.362	S	S	.	.			trans	-80.5	89.6	167.1	-173.3	-17.7	0	0	0	109.8	L180 H181 L182	D178-L180 VanDerWaalsContact C-N 3.3Å; D178-L180 PolarHBondContact O-N 3.45Å; D178-L180 PolarHBondContact OD1-N 3.18Å; D178-H181 HydrophobicContact CB-CB 3.95Å; D178-H181 PolarHBondContact O-N 2.94Å; D178-H181 PolarHBondContact OD1-N 3.03Å; D178-H181 WeakPolarHBondContact OD2-CB 3.39Å; D178-L182 WeakPolarHBondContact O-CG 3.47Å; D178-L182 PolarHBondContact O-N 3.07Å; D178-L182 VanDerWaalsContact O-N 3.11Å
179	V	91.4	Very high	83.2	Confident	23 Å²	23	64.9 Å²	64.9	14%	0.139	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-37.5	-178.2	176.8	0	0	0	0	111.9	F99 P101 F108 I177 L182 L183 V204	F99-V179 HydrophobicContact CZ-CG2 4.06Å; P101-V179 HydrophobicContact CB-CG1 3.85Å; P101-V179 HydrophobicContact CG-CG1 3.64Å; F108-V179 HydrophobicContact CB-CG2 4.48Å; F108-V179 HydrophobicContact CD2-CG2 3.87Å; I177-V179 HydrophobicContact CG2-CG2 4.13Å; I177-V179 PolarHBondContact O-N 2.96Å; I177-V179 VanDerWaalsContact O-N 3.12Å; V179-L182 PolarHBondContact O-N 3.3Å; V179-L183 HydrophobicContact CG1-CD1 4.01Å; V179-L183 HydrophobicContact CG1-CG 4.32Å; V179-L183 WeakPolarHBondContact O-CG 3.17Å; V179-L183 PolarHBondContact O-N 3.13Å; V179-V204 HydrophobicContact CG1-CG1 4.29Å
180	L	87.6	Confident	81.2	Confident	117 Å²	117	63.8 Å²	63.8	61%	0.613	36%	0.358	S	S	*	.	H	α-helix	trans	-64.7	-45.9	-179.5	-67.4	175.9	0	0	0	110.7	D178 L182 L183 H184	D178-L180 VanDerWaalsContact C-N 3.3Å; D178-L180 PolarHBondContact O-N 3.45Å; D178-L180 PolarHBondContact OD1-N 3.18Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 2.91Å; L180-L183 PolarHBondContact O-N 2.84Å; L180-H184 VanDerWaalsContact O-CG 3.31Å; L180-H184 PolarHBondContact O-N 2.89Å
181	H	89.1	Confident	78.9	Confident	119 Å²	119	69.4 Å²	69.4	55%	0.551	39%	0.394	S	S	*	.	H	α-helix	trans	-59.8	-42.2	174.5	179.1	-100.2	0	0	0	111.9	D178 H184 S185	D178-H181 HydrophobicContact CB-CB 3.95Å; D178-H181 PolarHBondContact O-N 2.94Å; D178-H181 PolarHBondContact OD1-N 3.03Å; D178-H181 WeakPolarHBondContact OD2-CB 3.39Å; H181-H184 PolarHBondContact O-N 3.18Å; H181-S185 PolarHBondContact O-N 3.28Å; H181-S185 VanDerWaalsContact O-N 3.11Å
182	L	89.8	Confident	76.4	Confident	21 Å²	21	74.7 Å²	74.7	11%	0.11	43%	0.432	C	S	.	.	H	α-helix	trans	-66.8	-36.5	178	-65.2	-175.6	0	0	0	113.1	F97 I177 D178 V179 L180 S185 V204 R205	F97-L182 HydrophobicContact CE2-CD1 3.91Å; F97-L182 HydrophobicContact CZ-CD1 4.06Å; I177-L182 HydrophobicContact CG2-CD1 3.57Å; D178-L182 WeakPolarHBondContact O-CG 3.47Å; D178-L182 PolarHBondContact O-N 3.07Å; D178-L182 VanDerWaalsContact O-N 3.11Å; V179-L182 PolarHBondContact O-N 3.3Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 2.91Å; L182-S185 PolarHBondContact O-N 2.94Å; L182-S185 PolarHBondContact O-OG 3.3Å; L182-V204 HydrophobicContact CB-CB 3.9Å; L182-V204 HydrophobicContact CB-CG1 4.11Å; L182-V204 HydrophobicContact CD1-CB 4.26Å; L182-V204 HydrophobicContact CD1-CG2 4.32Å; L182-R205 WeakPolarHBondContact CD2-O 3.12Å
183	L	86	Confident	74.1	Confident	55 Å²	55	81.3 Å²	81.3	29%	0.288	47%	0.472	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175.1	-75.3	169.4	0	0	0	111.4	V179 L180 S185 K186 P202 V204	V179-L183 HydrophobicContact CG1-CD1 4.01Å; V179-L183 HydrophobicContact CG1-CG 4.32Å; V179-L183 WeakPolarHBondContact O-CG 3.17Å; V179-L183 PolarHBondContact O-N 3.13Å; L180-L183 PolarHBondContact O-N 2.84Å; L183-S185 PolarHBondContact O-N 2.8Å; L183-K186 PolarHBondContact O-N 2.8Å; L183-P202 HydrophobicContact CD2-CB 3.73Å; L183-P202 HydrophobicContact CD2-CG 3.51Å; L183-V204 HydrophobicContact CD2-CG1 3.44Å; L183-V204 VanDerWaalsContact CD2-CG1 3.44Å; L183-V204 HydrophobicContact CG-CG1 3.58Å
184	H	81.5	Confident	71.6	Confident	163 Å²	163	83.6 Å²	83.6	76%	0.755	49%	0.491	S	S	*	.	H	α-helix	trans	-67	-25.4	178.5	-63.9	167.8	0	0	0	113.2	L180 H181 K186	L180-H184 VanDerWaalsContact O-CG 3.31Å; L180-H184 PolarHBondContact O-N 2.89Å; H181-H184 PolarHBondContact O-N 3.18Å; H184-K186 VanDerWaalsContact C-N 3.29Å; H184-K186 PolarHBondContact O-N 2.9Å
185	S	74.8	Confident	69.5	Low	74 Å²	74	92 Å²	92	52%	0.517	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.6	179.7	74.3	0	0	0	0	114.6	H181 L182 L183	H181-S185 PolarHBondContact O-N 3.28Å; H181-S185 VanDerWaalsContact O-N 3.11Å; L182-S185 PolarHBondContact O-N 2.94Å; L182-S185 PolarHBondContact O-OG 3.3Å; L183-S185 PolarHBondContact O-N 2.8Å
186	K	63.2	Low	67.6	Low	71 Å²	71	93.9 Å²	93.9	31%	0.309	55%	0.551	S	S	.	*			trans	-105.5	111.9	-177.9	-82.6	-171.4	174.1	-170.9	0	112.4	L183 H184 E203 R205	L183-K186 PolarHBondContact O-N 2.8Å; H184-K186 VanDerWaalsContact C-N 3.29Å; H184-K186 PolarHBondContact O-N 2.9Å; K186-E203 WeakPolarHBondContact CD-O 3.35Å; K186-E203 WeakPolarHBondContact CE-O 3.29Å; K186-E203 PolarHBondContact NZ-O 2.85Å; K186-R205 VanDerWaalsContact CE-CB 3.43Å; K186-R205 VanDerWaalsContact NZ-CD 3.31Å; K186-R205 VanDerWaalsContact NZ-CG 3.26Å
187	S	45.2	Very low	66	Low	124 Å²	124	98.3 Å²	98.3	87%	0.867	57%	0.571	S	S	*	*			trans	-107.4	52.5	171.7	178.3	0	0	0	0	111.5
188	E	47.1	Very low	64.7	Low	187 Å²	187	100.4 Å²	100.4	87%	0.874	58%	0.582	S	S	*	*			trans	-142.1	123.4	171.4	-119.5	174.7	178.7	0	0	111.2
189	A	44.1	Very low	63.5	Low	92 Å²	92	97.2 Å²	97.2	76%	0.76	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.9	147	-173.7	0	0	0	0	0	112.2
190	P	50.9	Low	62.4	Low	94 Å²	94	102.3 Å²	102.3	61%	0.61	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-62.4	138.8	178.9	24.2	-31.9	0	0	0	111.2	S192	P190-S192 PolarHBondContact O-N 3.17Å
191	P	46.1	Very low	62.1	Low	118 Å²	118	98.6 Å²	98.6	77%	0.766	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-65	122.3	172	25.1	-30.9	0	0	0	109.8	T193	P191-T193 PolarHBondContact O-N 3.09Å
192	S	42.2	Very low	62	Low	116 Å²	116	96.3 Å²	96.3	81%	0.811	57%	0.57	S	S	*	*	S	Bend	trans	-71.5	80.4	-178.4	58.6	0	0	0	0	111.2	P190	P190-S192 PolarHBondContact O-N 3.17Å
193	T	46.4	Very low	62.1	Low	138 Å²	138	97.3 Å²	97.3	85%	0.847	57%	0.574	S	S	*	*			trans	-173	82.7	164.8	20.4	0	0	0	0	109.2	P191	P191-T193 PolarHBondContact O-N 3.09Å
194	A	44.9	Very low	62.4	Low	49 Å²	49	94.7 Å²	94.7	41%	0.405	56%	0.56	S	S	.	*			trans	-159.1	114.6	168	0	0	0	0	0	112.5	S196	A194-S196 PolarHBondContact O-N 2.76Å
195	D	50.8	Low	63.1	Low	185 Å²	185	93 Å²	93	99%	0.989	55%	0.547	S	S	*	.			trans	-77.6	35.5	-176.4	-70.3	-37	0	0	0	114.4
196	S	55.8	Low	64	Low	56 Å²	56	89.8 Å²	89.8	39%	0.392	53%	0.526	S	S	.	.	S	Bend	trans	-138.8	134.2	179.8	61.4	0	0	0	0	111.1	A194 I198 S199	A194-S196 PolarHBondContact O-N 2.76Å; S196-I198 PolarHBondContact O-N 2.89Å; S196-I198 VanDerWaalsContact O-N 3.08Å; S196-S199 WeakPolarHBondContact O-CA 3.49Å; S196-S199 WeakPolarHBondContact O-CB 3.39Å; S196-S199 PolarHBondContact O-N 2.8Å; S196-S199 WeakPolarHBondContact OG-CB 3.48Å; S196-S199 PolarHBondContact OG-OG 3.41Å
197	D	63.1	Low	65.5	Low	143 Å²	143	89.7 Å²	89.7	77%	0.765	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-52.5	-35.4	-176.3	-62.7	-21	0	0	0	113.2	S199 L200	D197-S199 VanDerWaalsContact C-N 3.33Å; D197-S199 PolarHBondContact O-N 2.97Å; D197-L200 WeakPolarHBondContact O-CB 3.43Å; D197-L200 PolarHBondContact O-N 2.96Å
198	I	66	Low	67.9	Low	64 Å²	64	84.7 Å²	84.7	33%	0.328	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-68.9	-30.6	177.2	-75.5	171.6	0	0	0	112.4	I54 R100 S196 L200 L201	I54-I198 WeakPolarHBondContact O-CD1 3.24Å; R100-I198 HydrophobicContact CB-CG2 4.43Å; R100-I198 WeakPolarHBondContact CD-O 3.23Å; S196-I198 PolarHBondContact O-N 2.89Å; S196-I198 VanDerWaalsContact O-N 3.08Å; I198-L200 PolarHBondContact O-N 2.86Å; I198-L201 WeakPolarHBondContact O-CB 3.39Å; I198-L201 PolarHBondContact O-N 2.85Å; I198-L201 VanDerWaalsContact O-N 3.08Å
199	S	66.5	Low	70.1	Confident	32 Å²	32	81.2 Å²	81.2	22%	0.224	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-71	-13.7	179	-64.5	0	0	0	0	113.2	S196 D197 L201	S196-S199 WeakPolarHBondContact O-CA 3.49Å; S196-S199 WeakPolarHBondContact O-CB 3.39Å; S196-S199 PolarHBondContact O-N 2.8Å; S196-S199 WeakPolarHBondContact OG-CB 3.48Å; S196-S199 PolarHBondContact OG-OG 3.41Å; D197-S199 VanDerWaalsContact C-N 3.33Å; D197-S199 PolarHBondContact O-N 2.97Å; S199-L201 VanDerWaalsContact C-N 3.32Å
200	L	70.3	Confident	72.6	Confident	130 Å²	130	76.9 Å²	76.9	68%	0.681	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-76.7	-19.7	171.2	-57.6	175.8	0	0	0	112.5	D197 I198	D197-L200 WeakPolarHBondContact O-CB 3.43Å; D197-L200 PolarHBondContact O-N 2.96Å; I198-L200 PolarHBondContact O-N 2.86Å
201	L	80.7	Confident	74.7	Confident	40 Å²	40	76.1 Å²	76.1	21%	0.209	42%	0.424	C	S	.	.	S	Bend	trans	-74.7	141.3	177.9	-61.8	174.5	0	0	0	110.8	R100 V103 I198 S199 E203	R100-L201 HydrophobicContact CB-CB 4.35Å; R100-L201 WeakPolarHBondContact CD-O 3.3Å; V103-L201 HydrophobicContact CG2-CD2 3.61Å; I198-L201 WeakPolarHBondContact O-CB 3.39Å; I198-L201 PolarHBondContact O-N 2.85Å; I198-L201 VanDerWaalsContact O-N 3.08Å; S199-L201 VanDerWaalsContact C-N 3.32Å; L201-E203 PolarHBondContact O-N 2.91Å
202	P	86.7	Confident	77.1	Confident	71 Å²	71	70.5 Å²	70.5	46%	0.461	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-62	132.8	178.8	25.8	-33.9	0	0	0	110.6	L183	L183-P202 HydrophobicContact CD2-CB 3.73Å; L183-P202 HydrophobicContact CD2-CG 3.51Å
203	E	91.3	Very high	79.6	Confident	42 Å²	42	65.1 Å²	65.1	20%	0.196	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-78.4	126.4	171.9	-177.4	-174.2	139.6	0	0	108.9	S98 F99 R100 K186 L201 R205	S98-E203 VanDerWaalsContact CB-OE1 3.24Å; S98-E203 WeakPolarHBondContact CB-OE1 3.49Å; S98-E203 PolarHBondContact OG-OE1 2.8Å; F99-E203 CarbonylContact O-C 3.55Å; F99-E203 WeakPolarHBondContact O-CA 3.31Å; R100-E203 HydrophobicContact CG-CB 4.1Å; R100-E203 IonicContact CZ-OE2 2.8Å; R100-E203 IonicContact NH2-OE2 3.05Å; R100-E203 PolarHBondContact NH2-OE2 3.39Å; R100-E203 VanDerWaalsContact NH2-OE2 3.15Å; K186-E203 WeakPolarHBondContact CD-O 3.35Å; K186-E203 WeakPolarHBondContact CE-O 3.29Å; K186-E203 PolarHBondContact NZ-O 2.85Å; L201-E203 PolarHBondContact O-N 2.91Å; E203-R205 IonicContact OE1-CZ 2.78Å; E203-R205 IonicContact OE1-NE 2.87Å; E203-R205 PolarHBondContact OE1-NE 2.9Å; E203-R205 IonicContact OE1-NH2 3.81Å; E203-R205 PolarHBondContact OE1-NH2 3.39Å; E203-R205 IonicContact OE2-NH2 3.56Å
204	V	93.4	Very high	81.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148	167.8	-61.1	0	0	0	0	110.3	S98 F99 P101 V179 L182 L183	S98-V204 VanDerWaalsContact CA-O 3.22Å; S98-V204 WeakPolarHBondContact CA-O 3.47Å; S98-V204 VanDerWaalsContact CB-O 3.23Å; S98-V204 WeakPolarHBondContact CB-O 3.35Å; F99-V204 HydrophobicContact CD1-CG2 3.62Å; F99-V204 HydrophobicContact CD2-CG2 4.29Å; F99-V204 HydrophobicContact CE1-CG2 3.41Å; F99-V204 VanDerWaalsContact CE1-CG2 3.41Å; F99-V204 HydrophobicContact CE2-CG2 4.13Å; F99-V204 HydrophobicContact CG-CG2 4.06Å; F99-V204 HydrophobicContact CZ-CG2 3.69Å; F99-V204 PolarHBondContact N-O 3.3Å; F99-V204 WeakPolarHBondContact O-CG2 3.5Å; F99-V204 PolarHBondContact O-N 3.48Å; P101-V204 HydrophobicContact CG-CG1 4.03Å; P101-V204 HydrophobicContact CG-CG2 4.45Å; V179-V204 HydrophobicContact CG1-CG1 4.29Å; L182-V204 HydrophobicContact CB-CB 3.9Å; L182-V204 HydrophobicContact CB-CG1 4.11Å; L182-V204 HydrophobicContact CD1-CB 4.26Å; L182-V204 HydrophobicContact CD1-CG2 4.32Å; L183-V204 HydrophobicContact CD2-CG1 3.44Å; L183-V204 VanDerWaalsContact CD2-CG1 3.44Å; L183-V204 HydrophobicContact CG-CG1 3.58Å
205	R	94.7	Very high	84.2	Confident	126 Å²	126	59.1 Å²	59.1	48%	0.475	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.5	171.9	-80.6	166.4	-162.3	178.6	3.1	108.9	W60 F97 L182 K186 E203	W60-R205 HydrophobicContact CH2-CG 4.36Å; F97-R205 VanDerWaalsContact O-CA 3.31Å; F97-R205 WeakPolarHBondContact O-CA 3.48Å; L182-R205 WeakPolarHBondContact CD2-O 3.12Å; K186-R205 VanDerWaalsContact CE-CB 3.43Å; K186-R205 VanDerWaalsContact NZ-CD 3.31Å; K186-R205 VanDerWaalsContact NZ-CG 3.26Å; E203-R205 IonicContact OE1-CZ 2.78Å; E203-R205 IonicContact OE1-NE 2.87Å; E203-R205 PolarHBondContact OE1-NE 2.9Å; E203-R205 IonicContact OE1-NH2 3.81Å; E203-R205 PolarHBondContact OE1-NH2 3.39Å; E203-R205 IonicContact OE2-NH2 3.56Å
206	G	94.1	Very high	86.2	Confident	8 Å²	8	50.8 Å²	50.8	8%	0.082	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	169.1	172.1	0	0	0	0	0	111.6	T96 F97	T96-G206 WeakPolarHBondContact CA-O 3.07Å; F97-G206 WeakPolarHBondContact CD1-O 3.16Å; F97-G206 VanDerWaalsContact CZ-CA 3.47Å; F97-G206 PolarHBondContact N-O 3.03Å; F97-G206 PolarHBondContact O-N 3.1Å
207	V	94.6	Very high	87.9	Confident	69 Å²	69	51.8 Å²	51.8	42%	0.418	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.6	179.6	-177.8	0	0	0	0	108.9	P94 I95 T96 Y209	P94-V207 HydrophobicContact CB-CG1 3.62Å; I95-V207 CarbonylContact O-C 3.57Å; I95-V207 WeakPolarHBondContact O-CA 3.37Å; T96-V207 HydrophobicContact CG2-CG2 4.39Å; V207-Y209 HydrophobicContact CG1-CE1 4.34Å; V207-Y209 HydrophobicContact CG1-CE2 4.29Å
208	L	95.2	Very high	89.3	Confident	19 Å²	19	47.4 Å²	47.4	10%	0.099	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.2	171.3	-57	179.9	0	0	0	109.2	P94 I95 F97 I110 I112 I150 T175	P94-L208 CarbonylContact C-O 3.48Å; P94-L208 WeakPolarHBondContact CA-O 3.45Å; I95-L208 HydrophobicContact CB-CB 4.38Å; I95-L208 PolarHBondContact N-O 3.42Å; I95-L208 PolarHBondContact O-N 3.11Å; F97-L208 HydrophobicContact CD1-CD1 4.45Å; F97-L208 HydrophobicContact CD1-CG 4.01Å; F97-L208 HydrophobicContact CE1-CD2 3.9Å; F97-L208 HydrophobicContact CE1-CG 3.83Å; I110-L208 HydrophobicContact CB-CD1 4.19Å; I110-L208 HydrophobicContact CD1-CD1 4.08Å; I110-L208 HydrophobicContact CG2-CD1 3.77Å; I112-L208 HydrophobicContact CD1-CD1 4.35Å; I150-L208 HydrophobicContact CD1-CD1 4.32Å; T175-L208 HydrophobicContact CG2-CD2 3.82Å
209	Y	95	Very high	90.4	Very high	114 Å²	114	45.9 Å²	45.9	45%	0.447	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.4	172.7	-69.3	-75.5	0	0	0	109.8	V92 P94 L151 V207	V92-Y209 HydrophobicContact CG1-CD1 3.83Å; V92-Y209 HydrophobicContact CG1-CG 4.25Å; P94-Y209 HydrophobicContact CB-CD1 4.34Å; P94-Y209 HydrophobicContact CB-CE1 4.21Å; L151-Y209 VanDerWaalsContact CB-O 3.32Å; L151-Y209 WeakPolarHBondContact CB-O 3.33Å; L151-Y209 WeakPolarHBondContact CG-O 3.25Å; L151-Y209 PolarHBondContact N-O 3.11Å; V207-Y209 HydrophobicContact CG1-CE1 4.34Å; V207-Y209 HydrophobicContact CG1-CE2 4.29Å
210	C	95.8	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	160.1	-173.5	-61.6	0	0	0	0	112.4	V92 W93 I95 I148 E149	V92-C210 WeakPolarHBondContact CA-O 3.3Å; W93-C210 HydrophobicContact CD2-CB 4.47Å; W93-C210 HydrophobicContact CZ2-CB 4.1Å; W93-C210 PolarHBondContact N-O 3.4Å; W93-C210 PolarHBondContact O-N 3.33Å; I95-C210 HydrophobicContact CD1-CB 4.37Å; I148-C210 HydrophobicContact CD1-CB 4.48Å; E149-C210 CarbonylContact O-C 3.59Å; E149-C210 WeakPolarHBondContact O-CA 3.4Å
211	R	95.3	Very high	90.9	Very high	79 Å²	79	45.5 Å²	45.5	30%	0.298	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.4	168.2	-68.8	-176.8	177.7	161.1	4.7	110.4	M90 V92 I148 E149 L151	M90-R211 WeakPolarHBondContact O-CD 3.37Å; M90-R211 PolarHBondContact O-NE 3.4Å; V92-R211 HydrophobicContact CG2-CG 4.19Å; V92-R211 VanDerWaalsContact CG2-NE 3.28Å; I148-R211 WeakPolarHBondContact CA-O 3.35Å; E149-R211 HydrophobicContact CB-CB 4.49Å; E149-R211 PolarHBondContact N-O 2.88Å; E149-R211 PolarHBondContact O-N 2.93Å; L151-R211 HydrophobicContact CD1-CG 4.28Å; L151-R211 HydrophobicContact CD2-CG 4.31Å; L151-R211 HydrophobicContact CG-CG 4.47Å
212	L	96.1	Very high	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.5	169.6	-58.8	-172.8	0	0	0	110.2	V87 T89 M90 W93 F147 I148 V256 C258	V87-L212 HydrophobicContact CG2-CB 4.37Å; V87-L212 HydrophobicContact CG2-CD1 3.46Å; V87-L212 VanDerWaalsContact CG2-CD1 3.46Å; V87-L212 HydrophobicContact CG2-CG 4Å; T89-L212 WeakPolarHBondContact CA-O 3.33Å; T89-L212 PolarHBondContact OG1-O 3.05Å; M90-L212 PolarHBondContact N-O 3.27Å; W93-L212 HydrophobicContact CZ2-CD2 4.4Å; W93-L212 HydrophobicContact CZ2-CG 4.49Å; F147-L212 HydrophobicContact CD1-CD2 4.17Å; F147-L212 HydrophobicContact CE1-CD1 4.06Å; F147-L212 HydrophobicContact CE1-CD2 3.75Å; F147-L212 HydrophobicContact CE1-CG 4.36Å; F147-L212 HydrophobicContact CZ-CB 4.25Å; F147-L212 HydrophobicContact CZ-CD1 3.9Å; F147-L212 HydrophobicContact CZ-CD2 4.19Å; F147-L212 HydrophobicContact CZ-CG 4.34Å; F147-L212 WeakPolarHBondContact O-CA 3.17Å; I148-L212 HydrophobicContact CB-CD2 4.03Å; I148-L212 HydrophobicContact CD1-CD2 4.35Å; I148-L212 HydrophobicContact CG1-CD2 4Å; L212-V256 HydrophobicContact CD1-CB 3.95Å; L212-V256 HydrophobicContact CD1-CG1 4.47Å; L212-V256 HydrophobicContact CD1-CG2 4Å; L212-C258 HydrophobicContact CB-CB 4.28Å; L212-C258 HydrophobicContact CD1-CB 4.06Å
213	S	94.4	Very high	89.8	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.021	25%	0.253	C	S	.	.			trans	-104.6	6	-166.8	-54.6	0	0	0	0	114.6	R128 H132 F147	R128-S213 PolarHBondContact NE-OG 3.08Å; R128-S213 PolarHBondContact NH2-OG 3.32Å; H132-S213 WeakPolarHBondContact CB-O 3.47Å; F147-S213 PolarHBondContact O-N 3.4Å
214	C	94.5	Very high	88.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-144.9	146.9	177.8	-155.9	0	0	0	0	109.4	H132 F147 C218 F219 C258	H132-C214 PolarHBondContact ND1-SG 3.42Å; F147-C214 HydrophobicContact CD2-CB 3.79Å; F147-C214 HydrophobicContact CE2-CB 3.9Å; F147-C214 WeakPolarHBondContact CE2-O 3.47Å; C214-C218 WeakPolarHBondContact SG-CB 3.39Å; C214-F219 HydrophobicContact CB-CE2 3.96Å; C214-F219 HydrophobicContact CB-CZ 3.73Å; C214-C258 WeakPolarHBondContact O-CB 3.4Å; C214-C258 PolarHBondContact O-SG 3.42Å
215	Y	94.3	Very high	88.3	Confident	60 Å²	60	52.5 Å²	52.5	24%	0.235	27%	0.271	C	S	.	.			trans	-74.5	147.1	169.5	-64.6	-70.2	0	0	0	110.6	T89 S217 C218	T89-Y215 HydrophobicContact CG2-CD1 4.45Å; T89-Y215 HydrophobicContact CG2-CE1 3.64Å; T89-Y215 HydrophobicContact CG2-CE2 3.83Å; T89-Y215 VanDerWaalsContact CG2-OH 3.23Å; T89-Y215 WeakPolarHBondContact CG2-OH 3.26Å; Y215-S217 WeakPolarHBondContact CB-OG 3.37Å; Y215-S217 PolarHBondContact O-N 3.08Å; Y215-S217 VanDerWaalsContact O-N 3.17Å; Y215-C218 VanDerWaalsContact O-CB 3.28Å; Y215-C218 WeakPolarHBondContact O-CB 3.48Å; Y215-C218 PolarHBondContact O-N 2.8Å
216	N	93.1	Very high	88	Confident	10 Å²	10	48.5 Å²	48.5	5%	0.053	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.9	175.4	-71.2	69.8	0	0	0	112.5	C218 F219 G220 G225 V256 R257 C258	N216-C218 PolarHBondContact O-N 2.96Å; N216-F219 PolarHBondContact O-N 2.9Å; N216-G220 VanDerWaalsContact O-O 3.13Å; N216-G225 PolarHBondContact ND2-O 3.15Å; N216-V256 PolarHBondContact ND2-O 2.86Å; N216-R257 WeakPolarHBondContact OD1-CA 3.49Å; N216-C258 PolarHBondContact N-O 3.15Å; N216-C258 WeakPolarHBondContact OD1-CA 3.48Å; N216-C258 WeakPolarHBondContact OD1-CB 3.28Å; N216-C258 PolarHBondContact OD1-N 3.34Å; N216-C258 PolarHBondContact OD1-O 3.11Å
217	S	91.5	Very high	88	Confident	78 Å²	78	48.2 Å²	48.2	55%	0.545	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59	-18.8	175.7	56.5	0	0	0	0	113.9	Y215 F219	Y215-S217 WeakPolarHBondContact CB-OG 3.37Å; Y215-S217 PolarHBondContact O-N 3.08Å; Y215-S217 VanDerWaalsContact O-N 3.17Å; S217-F219 VanDerWaalsContact C-N 3.26Å; S217-F219 PolarHBondContact O-N 3.29Å
218	C	92.2	Very high	88	Confident	50 Å²	50	46 Å²	46	34%	0.338	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-74	-16.5	174.6	-62.6	0	0	0	0	113.3	C129 C214 Y215 N216	C129-C218 HydrophobicContact CB-CB 4.01Å; C214-C218 WeakPolarHBondContact SG-CB 3.39Å; Y215-C218 VanDerWaalsContact O-CB 3.28Å; Y215-C218 WeakPolarHBondContact O-CB 3.48Å; Y215-C218 PolarHBondContact O-N 2.8Å; N216-C218 PolarHBondContact O-N 2.96Å
219	F	89.4	Confident	88	Confident	32 Å²	32	45 Å²	45	14%	0.14	23%	0.234	C	C	.	.	S	Bend	trans	-106	-3	-177.3	-53.5	-58.8	0	0	0	113.9	F116 Q127 F147 C214 N216 S217 I227	F116-F219 HydrophobicContact CE1-CB 3.72Å; F116-F219 HydrophobicContact CE1-CG 4.09Å; F116-F219 HydrophobicContact CZ-CB 4.03Å; F116-F219 HydrophobicContact CZ-CD1 4.18Å; F116-F219 HydrophobicContact CZ-CG 4.17Å; Q127-F219 WeakPolarHBondContact O-CE1 3.28Å; Q127-F219 VanDerWaalsContact O-CZ 3.25Å; Q127-F219 WeakPolarHBondContact O-CZ 3.49Å; F147-F219 AromaticContact CD2-CE2 3.82Å; F147-F219 HydrophobicContact CD2-CE2 3.82Å; F147-F219 AromaticContact CD2-CZ 3.88Å; F147-F219 HydrophobicContact CD2-CZ 3.88Å; F147-F219 AromaticContact CE2-CE2 3.63Å; F147-F219 HydrophobicContact CE2-CE2 3.63Å; F147-F219 HydrophobicContact CE2-CZ 4.17Å; F147-F219 HydrophobicContact CZ-CE2 4.45Å; C214-F219 HydrophobicContact CB-CE2 3.96Å; C214-F219 HydrophobicContact CB-CZ 3.73Å; N216-F219 PolarHBondContact O-N 2.9Å; S217-F219 VanDerWaalsContact C-N 3.26Å; S217-F219 PolarHBondContact O-N 3.29Å; F219-I227 HydrophobicContact CD2-CD1 3.6Å; F219-I227 HydrophobicContact CE2-CD1 3.67Å; F219-I227 HydrophobicContact CG-CD1 4.46Å
220	G	78.8	Confident	88	Confident	26 Å²	26	39.6 Å²	39.6	27%	0.268	21%	0.213	S	C	.	.			trans	134.9	158.5	-172.1	0	0	0	0	0	110.8	N216	N216-G220 VanDerWaalsContact O-O 3.13Å
221	L	68.9	Low	88.1	Confident	129 Å²	129	39.7 Å²	39.7	68%	0.675	21%	0.213	S	C	*	.	S	Bend	trans	-83.3	156.4	169.8	-60.5	175.8	0	0	0	109.4
222	T	71.6	Confident	88.1	Confident	108 Å²	108	35.9 Å²	35.9	66%	0.663	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	57.6	-143.6	173.9	73.4	0	0	0	0	113.7	R224 G225	T222-R224 PolarHBondContact O-N 2.86Å; T222-G225 PolarHBondContact O-N 2.7Å
223	A	72	Confident	88.2	Confident	44 Å²	44	35.9 Å²	35.9	36%	0.364	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25.4	-175.7	0	0	0	0	0	113.3	G225 E226	A223-G225 PolarHBondContact O-N 2.93Å; A223-E226 WeakPolarHBondContact O-CB 3.42Å; A223-E226 PolarHBondContact O-N 3.25Å; A223-E226 VanDerWaalsContact O-N 3.12Å
224	R	70.9	Confident	88.2	Confident	148 Å²	148	35.8 Å²	35.8	56%	0.558	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.5	-24.8	-178.9	-69.4	-175.6	171.7	-172.1	-4.3	113.5	Y118 K121 T222	Y118-R224 HydrophobicContact CD1-CG 4.37Å; Y118-R224 HydrophobicContact CE1-CG 4.32Å; K121-R224 VanDerWaalsContact CD-O 3.24Å; K121-R224 WeakPolarHBondContact CD-O 3.43Å; T222-R224 PolarHBondContact O-N 2.86Å
225	G	81.6	Confident	88.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-101.1	8.9	177.7	0	0	0	0	0	113.8	N216 T222 A223	N216-G225 PolarHBondContact ND2-O 3.15Å; T222-G225 PolarHBondContact O-N 2.7Å; A223-G225 PolarHBondContact O-N 2.93Å
226	E	89.2	Confident	87.8	Confident	42 Å²	42	37.5 Å²	37.5	20%	0.196	21%	0.207	C	C	.	.			trans	-74.6	136.2	179.6	-70.9	-168.4	150.3	0	0	111.5	K84 S117 A223	K84-E226 IonicContact NZ-OE1 3.9Å; K84-E226 PolarHBondContact NZ-OE1 3.35Å; S117-E226 PolarHBondContact N-O 3.02Å; S117-E226 PolarHBondContact OG-O 3.21Å; A223-E226 WeakPolarHBondContact O-CB 3.42Å; A223-E226 PolarHBondContact O-N 3.25Å; A223-E226 VanDerWaalsContact O-N 3.12Å
227	I	93.7	Very high	87	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134	-174	-66.2	163.7	0	0	0	108.1	P114 L115 F116 V126 F147 F219 L229 V256	P114-I227 HydrophobicContact CB-CG2 4.09Å; L115-I227 CarbonylContact O-C 3.55Å; L115-I227 VanDerWaalsContact O-CA 3.31Å; L115-I227 WeakPolarHBondContact O-CA 3.45Å; F116-I227 HydrophobicContact CD1-CG1 4.07Å; F116-I227 HydrophobicContact CE1-CD1 4.45Å; F116-I227 HydrophobicContact CE1-CG1 4.12Å; V126-I227 HydrophobicContact CG1-CD1 3.67Å; V126-I227 HydrophobicContact CG1-CG1 4.25Å; V126-I227 HydrophobicContact CG1-CG2 4.42Å; V126-I227 HydrophobicContact CG2-CG1 4.44Å; F147-I227 HydrophobicContact CD1-CD1 4.3Å; F147-I227 HydrophobicContact CD1-CG2 4.37Å; F147-I227 HydrophobicContact CE1-CB 4.47Å; F147-I227 HydrophobicContact CE1-CD1 3.8Å; F147-I227 HydrophobicContact CE1-CG2 3.95Å; F147-I227 HydrophobicContact CE2-CD1 4.08Å; F147-I227 HydrophobicContact CZ-CD1 3.68Å; F219-I227 HydrophobicContact CD2-CD1 3.6Å; F219-I227 HydrophobicContact CE2-CD1 3.67Å; F219-I227 HydrophobicContact CG-CD1 4.46Å; I227-L229 HydrophobicContact CG2-CD2 4.46Å; I227-V256 HydrophobicContact CB-CG2 4.15Å; I227-V256 HydrophobicContact CG2-CG2 4.06Å; I227-V256 WeakPolarHBondContact O-CG2 3.39Å; I227-V256 PolarHBondContact O-N 3.16Å
228	E	94	Very high	85.7	Confident	22 Å²	22	42.5 Å²	42.5	10%	0.103	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.9	166.9	-85.7	172.5	-171.2	0	0	109.2	P114 L115 S117 K253 R255	P114-E228 WeakPolarHBondContact CA-O 3.48Å; L115-E228 PolarHBondContact N-O 3.27Å; L115-E228 PolarHBondContact O-N 3.19Å; S117-E228 WeakPolarHBondContact OG-CG 3.47Å; S117-E228 PolarHBondContact OG-N 3.34Å; E228-K253 WeakPolarHBondContact OE2-CD 3.38Å; E228-K253 WeakPolarHBondContact OE2-CE 3.38Å; E228-K253 IonicContact OE2-NZ 3.18Å; E228-K253 PolarHBondContact OE2-NZ 3.14Å; E228-R255 HydrophobicContact CG-CG 3.63Å; E228-R255 IonicContact OE1-CZ 2.87Å; E228-R255 IonicContact OE1-NE 2.79Å; E228-R255 PolarHBondContact OE1-NE 2.95Å; E228-R255 IonicContact OE1-NH2 2.81Å; E228-R255 PolarHBondContact OE1-NH2 2.95Å
229	L	96	Very high	84	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.6	165.1	-58.5	-177.8	0	0	0	107.4	W93 I95 I112 P114 I148 I227 K253 I254 V256	W93-L229 HydrophobicContact CH2-CD1 3.69Å; W93-L229 HydrophobicContact CZ2-CD1 3.79Å; I95-L229 HydrophobicContact CD1-CD1 4.47Å; I112-L229 HydrophobicContact CG2-CB 3.9Å; I112-L229 HydrophobicContact CG2-CD1 4.43Å; I112-L229 HydrophobicContact CG2-CD2 4.17Å; I112-L229 HydrophobicContact CG2-CG 4.39Å; P114-L229 HydrophobicContact CB-CD2 3.85Å; I148-L229 HydrophobicContact CD1-CD1 3.71Å; I148-L229 HydrophobicContact CD1-CD2 4.05Å; I148-L229 HydrophobicContact CD1-CG 4.48Å; I227-L229 HydrophobicContact CG2-CD2 4.46Å; L229-K253 WeakPolarHBondContact O-CA 3.46Å; L229-I254 PolarHBondContact N-O 2.91Å; L229-I254 PolarHBondContact O-N 2.94Å; L229-V256 HydrophobicContact CD1-CG1 3.54Å; L229-V256 HydrophobicContact CD1-CG2 4.33Å; L229-V256 HydrophobicContact CD2-CG2 4.18Å; L229-V256 HydrophobicContact CG-CG1 3.8Å; L229-V256 HydrophobicContact CG-CG2 3.9Å
230	V	95.3	Very high	82.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119	170.4	-174.3	0	0	0	0	107.7	I112 T113 L115 L163 T232 L251 K253	I112-V230 WeakPolarHBondContact CA-O 3.23Å; T113-V230 PolarHBondContact N-O 3.22Å; T113-V230 PolarHBondContact O-N 2.87Å; L115-V230 HydrophobicContact CD1-CG2 3.81Å; L115-V230 HydrophobicContact CG-CG2 4.4Å; L163-V230 HydrophobicContact CD1-CB 4.07Å; L163-V230 HydrophobicContact CD1-CG1 3.67Å; L163-V230 HydrophobicContact CD2-CG1 4.24Å; V230-T232 HydrophobicContact CG1-CG2 4.38Å; V230-L251 HydrophobicContact CG1-CD1 3.76Å; V230-L251 HydrophobicContact CG1-CD2 3.96Å; V230-L251 HydrophobicContact CG1-CG 3.74Å; V230-K253 HydrophobicContact CG2-CG 4.33Å
231	V	96.8	Very high	80.8	Confident	1 Å²	1	53 Å²	53	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.3	-176.3	-167.6	0	0	0	0	108.3	Y57 V59 I110 R111 I112 L251 D252	Y57-V231 WeakPolarHBondContact OH-CG1 3.49Å; V59-V231 HydrophobicContact CG1-CB 4.47Å; V59-V231 HydrophobicContact CG1-CG1 4.41Å; V59-V231 HydrophobicContact CG1-CG2 4.4Å; V59-V231 HydrophobicContact CG2-CB 4.16Å; V59-V231 HydrophobicContact CG2-CG1 4.05Å; I110-V231 HydrophobicContact CG2-CG1 3.62Å; R111-V231 CarbonylContact O-C 3.57Å; R111-V231 WeakPolarHBondContact O-CA 3.3Å; I112-V231 HydrophobicContact CG1-CG1 4.22Å; I112-V231 HydrophobicContact CG1-CG2 4.34Å; I112-V231 HydrophobicContact CG2-CG2 4.42Å; V231-L251 WeakPolarHBondContact O-CA 3.31Å; V231-D252 PolarHBondContact N-O 3.26Å; V231-D252 PolarHBondContact O-N 3.02Å
232	T	96.4	Very high	79.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.5	-176.9	46.1	0	0	0	0	111.4	I110 R111 L163 V230 E234 I248 G250 L251	I110-T232 WeakPolarHBondContact CA-O 3.38Å; R111-T232 WeakPolarHBondContact CB-OG1 3.35Å; R111-T232 PolarHBondContact N-O 3.23Å; R111-T232 PolarHBondContact O-N 2.97Å; R111-T232 PolarHBondContact O-OG1 3.49Å; L163-T232 HydrophobicContact CD2-CG2 3.93Å; V230-T232 HydrophobicContact CG1-CG2 4.38Å; T232-E234 PolarHBondContact OG1-OE1 3.42Å; T232-I248 HydrophobicContact CG2-CD1 4.2Å; T232-I248 HydrophobicContact CG2-CG1 4.49Å; T232-I248 HydrophobicContact CG2-CG2 3.92Å; T232-G250 CarbonylContact C-O 3.55Å; T232-G250 VanDerWaalsContact CA-O 3.3Å; T232-G250 WeakPolarHBondContact CA-O 3.38Å; T232-L251 HydrophobicContact CG2-CB 4.21Å; T232-L251 HydrophobicContact CG2-CD1 3.99Å; T232-L251 HydrophobicContact CG2-CG 3.98Å
233	L	97	Very high	78.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.9	162	-179.2	67.7	0	0	0	107.7	Y55 Y57 F99 F108 I177 F249 G250	Y55-L233 HydrophobicContact CD2-CD2 4.25Å; Y57-L233 HydrophobicContact CD1-CB 4.04Å; Y57-L233 HydrophobicContact CD2-CB 3.73Å; Y57-L233 HydrophobicContact CD2-CD2 3.97Å; Y57-L233 HydrophobicContact CD2-CG 4.31Å; Y57-L233 HydrophobicContact CE1-CB 4.12Å; Y57-L233 HydrophobicContact CE2-CB 3.83Å; Y57-L233 HydrophobicContact CG-CB 3.82Å; Y57-L233 HydrophobicContact CG-CD2 4.23Å; F99-L233 HydrophobicContact CB-CD2 4Å; F99-L233 HydrophobicContact CD1-CD1 4.31Å; F99-L233 HydrophobicContact CD1-CD2 4.36Å; F99-L233 HydrophobicContact CD2-CD2 3.8Å; F99-L233 HydrophobicContact CE1-CD1 4.15Å; F99-L233 HydrophobicContact CE2-CD1 4.37Å; F99-L233 HydrophobicContact CE2-CD2 4.31Å; F99-L233 HydrophobicContact CG-CD2 3.83Å; F99-L233 HydrophobicContact CZ-CD1 4.18Å; F108-L233 HydrophobicContact CB-CD1 4.26Å; F108-L233 HydrophobicContact CD1-CD1 3.74Å; F108-L233 HydrophobicContact CD1-CD2 4.27Å; F108-L233 HydrophobicContact CD1-CG 3.98Å; F108-L233 HydrophobicContact CE1-CD2 4.23Å; F108-L233 HydrophobicContact CE1-CG 4.35Å; F108-L233 HydrophobicContact CG-CD1 4.29Å; I177-L233 HydrophobicContact CD1-CD1 3.68Å; L233-F249 HydrophobicContact CD2-CB 4.38Å; L233-F249 PolarHBondContact O-N 3.28Å; L233-G250 PolarHBondContact N-O 2.92Å; L233-G250 PolarHBondContact O-N 3.44Å
234	E	95.2	Very high	78.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.4	-176.6	-71.1	171.8	-158.5	0	0	110.2	F108 W109 R111 T162 T232 F246 T247 I248	F108-E234 CarbonylContact C-O 3.53Å; F108-E234 WeakPolarHBondContact CA-O 3.33Å; W109-E234 HydrophobicContact CB-CB 4.47Å; W109-E234 PolarHBondContact N-O 3.08Å; W109-E234 PolarHBondContact O-N 3.45Å; R111-E234 VanDerWaalsContact CD-OE1 3.31Å; R111-E234 WeakPolarHBondContact CD-OE1 3.44Å; R111-E234 IonicContact CZ-OE2 3.19Å; R111-E234 VanDerWaalsContact CZ-OE2 3.31Å; R111-E234 VanDerWaalsContact NE-CD 3.29Å; R111-E234 IonicContact NE-OE1 2.74Å; R111-E234 PolarHBondContact NE-OE1 2.83Å; R111-E234 IonicContact NE-OE2 2.74Å; R111-E234 PolarHBondContact NE-OE2 3.3Å; R111-E234 IonicContact NH2-OE2 2.76Å; R111-E234 PolarHBondContact NH2-OE2 3.41Å; T162-E234 PolarHBondContact OG1-OE1 3.42Å; T232-E234 PolarHBondContact OG1-OE1 3.42Å; E234-F246 HydrophobicContact CB-CB 4.11Å; E234-F246 HydrophobicContact CB-CD1 3.85Å; E234-F246 HydrophobicContact CB-CG 4.36Å; E234-F246 HydrophobicContact CG-CB 4.34Å; E234-F246 WeakPolarHBondContact OE2-CB 2.99Å; E234-T247 VanDerWaalsContact CA-O 3.26Å; E234-T247 WeakPolarHBondContact CA-O 3.3Å; E234-I248 HydrophobicContact CG-CG1 4.04Å
235	A	92.3	Very high	78.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.1	162.4	0	0	0	0	0	110.1	M106 D107 F108 F246 T247 F249	M106-A235 HydrophobicContact CE-CB 3.68Å; D107-A235 WeakPolarHBondContact O-CA 3.36Å; F108-A235 HydrophobicContact CD1-CB 4.13Å; F108-A235 HydrophobicContact CE1-CB 4.34Å; A235-F246 WeakPolarHBondContact O-CA 3.48Å; A235-T247 PolarHBondContact N-O 3.04Å; A235-T247 PolarHBondContact O-N 2.85Å; A235-F249 HydrophobicContact CB-CD2 4.09Å; A235-F249 HydrophobicContact CB-CE2 3.6Å
236	K	86.8	Confident	79.1	Confident	96 Å²	96	56.3 Å²	56.3	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.9	178.1	-168	179.3	178.2	-172.6	0	109.7	F246	K236-F246 HydrophobicContact CB-CE1 4.24Å
237	N	76.3	Confident	79.1	Confident	57 Å²	57	55.9 Å²	55.9	31%	0.305	29%	0.288	S	S	.	.			trans	-87.2	116.1	169.4	-166.1	1.4	0	0	0	109.2	E239 N245	N237-E239 PolarHBondContact O-N 2.92Å; N237-E239 PolarHBondContact OD1-N 2.82Å; N237-N245 PolarHBondContact N-O 3.22Å
238	D	64.8	Low	79.1	Confident	136 Å²	136	57.2 Å²	57.2	73%	0.727	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.2	-178.4	-79	-27.5	0	0	0	113.4	S240	D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 PolarHBondContact O-N 3.33Å
239	E	57.7	Low	79	Confident	162 Å²	162	57.9 Å²	57.9	76%	0.757	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.9	-174.7	-62.7	-170.5	155.1	0	0	114.6	N237	N237-E239 PolarHBondContact O-N 2.92Å; N237-E239 PolarHBondContact OD1-N 2.82Å
240	S	50.4	Low	79	Confident	32 Å²	32	57.9 Å²	57.9	22%	0.224	30%	0.297	C	S	.	.			trans	-110.5	101.9	179.1	57.4	0	0	0	0	113.1	D238 N242 Q243 N245	D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 PolarHBondContact O-N 3.33Å; S240-N242 PolarHBondContact O-N 3.07Å; S240-N242 VanDerWaalsContact O-N 3.08Å; S240-Q243 PolarHBondContact OG-O 3.16Å; S240-N245 WeakPolarHBondContact CB-ND2 3.43Å; S240-N245 PolarHBondContact OG-ND2 3.02Å
241	V	49	Very low	78.9	Confident	134 Å²	134	58 Å²	58	81%	0.812	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.8	-179.3	178.4	0	0	0	0	113.9
242	N	46.3	Very low	78.8	Confident	158 Å²	158	59.8 Å²	59.8	85%	0.845	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	14.3	-169.3	-70.7	-46.2	0	0	0	116	S240	S240-N242 PolarHBondContact O-N 3.07Å; S240-N242 VanDerWaalsContact O-N 3.08Å
243	Q	52.8	Low	78.7	Confident	137 Å²	137	62 Å²	62	64%	0.64	32%	0.317	S	S	*	.	S	Bend	trans	-151	132.1	178.7	-146.2	162.5	6.2	0	0	110	S240 N245	S240-Q243 PolarHBondContact OG-O 3.16Å; Q243-N245 PolarHBondContact O-N 3.17Å
244	E	62.8	Low	78.6	Confident	118 Å²	118	62 Å²	62	55%	0.551	32%	0.317	S	S	*	.			trans	-68	68	174.4	-70.5	-169.4	169.6	0	0	110.9	R174 F246	R174-E244 IonicContact CZ-OE2 3.15Å; R174-E244 IonicContact NH1-OE2 3.81Å; R174-E244 PolarHBondContact NH1-OE2 3Å; R174-E244 VanDerWaalsContact NH2-CD 3.34Å; R174-E244 IonicContact NH2-OE1 2.93Å; R174-E244 PolarHBondContact NH2-OE1 3.3Å; R174-E244 IonicContact NH2-OE2 3.9Å; R174-E244 PolarHBondContact NH2-OE2 3.02Å; E244-F246 HydrophobicContact CB-CD2 4.43Å; E244-F246 HydrophobicContact CB-CE2 4.04Å; E244-F246 WeakPolarHBondContact O-CD2 3.36Å; E244-F246 PolarHBondContact O-N 3.4Å
245	N	79.2	Confident	78.6	Confident	66 Å²	66	64.7 Å²	64.7	35%	0.353	33%	0.327	S	S	.	.			trans	-81.9	107.1	-179.3	-69.8	-20.9	0	0	0	108.6	N237 S240 Q243	N237-N245 PolarHBondContact N-O 3.22Å; S240-N245 WeakPolarHBondContact CB-ND2 3.43Å; S240-N245 PolarHBondContact OG-ND2 3.02Å; Q243-N245 PolarHBondContact O-N 3.17Å
246	F	88.7	Confident	78.7	Confident	20 Å²	20	64.8 Å²	64.8	9%	0.088	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.9	172.1	-74.6	-91.4	0	0	0	110	W109 T162 E234 A235 K236 E244	W109-F246 HydrophobicContact CB-CE1 4.1Å; W109-F246 AromaticContact CD1-CE1 3.54Å; W109-F246 HydrophobicContact CD2-CE1 4.13Å; W109-F246 HydrophobicContact CD2-CZ 4.35Å; W109-F246 AromaticContact CG-CE1 3.65Å; W109-F246 HydrophobicContact CG-CE1 3.65Å; W109-F246 HydrophobicContact CG-CZ 4.34Å; W109-F246 AromaticContact NE1-CE1 3.94Å; T162-F246 HydrophobicContact CG2-CB 3.88Å; E234-F246 HydrophobicContact CB-CB 4.11Å; E234-F246 HydrophobicContact CB-CD1 3.85Å; E234-F246 HydrophobicContact CB-CG 4.36Å; E234-F246 HydrophobicContact CG-CB 4.34Å; E234-F246 WeakPolarHBondContact OE2-CB 2.99Å; A235-F246 WeakPolarHBondContact O-CA 3.48Å; K236-F246 HydrophobicContact CB-CE1 4.24Å; E244-F246 HydrophobicContact CB-CD2 4.43Å; E244-F246 HydrophobicContact CB-CE2 4.04Å; E244-F246 WeakPolarHBondContact O-CD2 3.36Å; E244-F246 PolarHBondContact O-N 3.4Å
247	T	90.3	Very high	79	Confident	32 Å²	32	63 Å²	63	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.1	170.8	-58.8	0	0	0	0	108.8	E234 A235 F249	E234-T247 VanDerWaalsContact CA-O 3.26Å; E234-T247 WeakPolarHBondContact CA-O 3.3Å; A235-T247 PolarHBondContact N-O 3.04Å; A235-T247 PolarHBondContact O-N 2.85Å; T247-F249 HydrophobicContact CG2-CE1 4.47Å; T247-F249 HydrophobicContact CG2-CE2 4.05Å; T247-F249 HydrophobicContact CG2-CZ 3.99Å; T247-F249 VanDerWaalsContact O-CD2 3.26Å; T247-F249 WeakPolarHBondContact O-CD2 3.46Å; T247-F249 WeakPolarHBondContact O-CE2 3.19Å
248	I	92.6	Very high	79.8	Confident	30 Å²	30	60.3 Å²	60.3	15%	0.154	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.4	177.3	-56.4	172.8	0	0	0	109.2	F51 T162 L163 T232 E234 G250	F51-I248 HydrophobicContact CZ-CG2 3.77Å; T162-I248 WeakPolarHBondContact OG1-CD1 3.47Å; T162-I248 WeakPolarHBondContact OG1-CG1 3.21Å; L163-I248 HydrophobicContact CD2-CD1 3.72Å; L163-I248 HydrophobicContact CG-CD1 4.34Å; T232-I248 HydrophobicContact CG2-CD1 4.2Å; T232-I248 HydrophobicContact CG2-CG1 4.49Å; T232-I248 HydrophobicContact CG2-CG2 3.92Å; E234-I248 HydrophobicContact CG-CG1 4.04Å; I248-G250 WeakPolarHBondContact CG2-O 3.47Å
249	F	93.1	Very high	81.2	Confident	35 Å²	35	54.3 Å²	54.3	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-16.2	177.4	-69.7	-81.9	0	0	0	113.8	G53 I54 Y55 M106 F108 L233 A235 T247	G53-F249 WeakPolarHBondContact CA-O 3.42Å; I54-F249 HydrophobicContact CD1-CD1 4.11Å; I54-F249 HydrophobicContact CD1-CE1 4.33Å; I54-F249 HydrophobicContact CG1-CD1 4.29Å; Y55-F249 HydrophobicContact CD2-CB 3.67Å; Y55-F249 AromaticContact CD2-CD1 3.94Å; Y55-F249 HydrophobicContact CD2-CD1 3.94Å; Y55-F249 AromaticContact CD2-CG 3.88Å; Y55-F249 HydrophobicContact CD2-CG 3.88Å; Y55-F249 HydrophobicContact CE2-CB 3.88Å; Y55-F249 AromaticContact CE2-CD1 3.3Å; Y55-F249 HydrophobicContact CE2-CD1 3.3Å; Y55-F249 HydrophobicContact CE2-CD2 4.24Å; Y55-F249 AromaticContact CE2-CE1 3.81Å; Y55-F249 HydrophobicContact CE2-CE1 3.81Å; Y55-F249 AromaticContact CE2-CG 3.53Å; Y55-F249 HydrophobicContact CE2-CG 3.53Å; Y55-F249 HydrophobicContact CE2-CZ 4.48Å; M106-F249 HydrophobicContact CE-CE1 4.49Å; M106-F249 HydrophobicContact CE-CE2 3.92Å; M106-F249 HydrophobicContact CE-CZ 3.73Å; F108-F249 HydrophobicContact CE1-CD2 4.49Å; L233-F249 HydrophobicContact CD2-CB 4.38Å; L233-F249 PolarHBondContact O-N 3.28Å; A235-F249 HydrophobicContact CB-CD2 4.09Å; A235-F249 HydrophobicContact CB-CE2 3.6Å; T247-F249 HydrophobicContact CG2-CE1 4.47Å; T247-F249 HydrophobicContact CG2-CE2 4.05Å; T247-F249 HydrophobicContact CG2-CZ 3.99Å; T247-F249 VanDerWaalsContact O-CD2 3.26Å; T247-F249 WeakPolarHBondContact O-CD2 3.46Å; T247-F249 WeakPolarHBondContact O-CE2 3.19Å
250	G	94.7	Very high	82.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	151.7	176.5	0	0	0	0	0	110.9	F51 T232 L233 I248	F51-G250 WeakPolarHBondContact O-CA 2.92Å; T232-G250 CarbonylContact C-O 3.55Å; T232-G250 VanDerWaalsContact CA-O 3.3Å; T232-G250 WeakPolarHBondContact CA-O 3.38Å; L233-G250 PolarHBondContact N-O 2.92Å; L233-G250 PolarHBondContact O-N 3.44Å; I248-G250 WeakPolarHBondContact CG2-O 3.47Å
251	L	94.9	Very high	84.7	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.8	178.9	-174.3	156.1	0	0	0	109.5	P50 F51 L163 V230 V231 T232 K253	P50-L251 CarbonylContact C-O 3.49Å; P50-L251 VanDerWaalsContact CA-O 3.25Å; P50-L251 WeakPolarHBondContact CA-O 3.45Å; F51-L251 HydrophobicContact CD1-CB 3.7Å; F51-L251 HydrophobicContact CE1-CB 3.39Å; F51-L251 HydrophobicContact CE1-CD1 4.27Å; F51-L251 HydrophobicContact CE1-CG 4.43Å; F51-L251 HydrophobicContact CZ-CB 4Å; F51-L251 PolarHBondContact N-O 3.33Å; F51-L251 PolarHBondContact O-N 3.43Å; F51-L251 VanDerWaalsContact O-O 3.1Å; L163-L251 HydrophobicContact CD2-CD1 3.48Å; L163-L251 VanDerWaalsContact CD2-CD1 3.48Å; V230-L251 HydrophobicContact CG1-CD1 3.76Å; V230-L251 HydrophobicContact CG1-CD2 3.96Å; V230-L251 HydrophobicContact CG1-CG 3.74Å; V231-L251 WeakPolarHBondContact O-CA 3.31Å; T232-L251 HydrophobicContact CG2-CB 4.21Å; T232-L251 HydrophobicContact CG2-CD1 3.99Å; T232-L251 HydrophobicContact CG2-CG 3.98Å; L251-K253 HydrophobicContact CD2-CG 4.29Å
252	D	94.7	Very high	86.7	Confident	37 Å²	37	45.4 Å²	45.4	20%	0.198	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	170.3	170.8	-148.3	-19.3	0	0	0	110.7	Y57 V59 V231	Y57-D252 HydrophobicContact CE1-CB 4.47Å; V59-D252 HydrophobicContact CB-CB 3.78Å; V59-D252 HydrophobicContact CG2-CB 3.64Å; V59-D252 PolarHBondContact N-OD2 3.28Å; V231-D252 PolarHBondContact N-O 3.26Å; V231-D252 PolarHBondContact O-N 3.02Å
253	K	93.8	Very high	88.7	Confident	47 Å²	47	40.2 Å²	40.2	20%	0.204	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.4	-175.7	-74.7	-179.6	158.5	-170.5	0	112.5	L48 P50 E228 L229 V230 L251	L48-K253 WeakPolarHBondContact O-CE 3.49Å; L48-K253 PolarHBondContact O-NZ 2.93Å; L48-K253 VanDerWaalsContact O-NZ 3.08Å; P50-K253 HydrophobicContact CG-CB 4.29Å; P50-K253 HydrophobicContact CG-CD 4.22Å; P50-K253 HydrophobicContact CG-CG 4.23Å; E228-K253 WeakPolarHBondContact OE2-CD 3.38Å; E228-K253 WeakPolarHBondContact OE2-CE 3.38Å; E228-K253 IonicContact OE2-NZ 3.18Å; E228-K253 PolarHBondContact OE2-NZ 3.14Å; L229-K253 WeakPolarHBondContact O-CA 3.46Å; V230-K253 HydrophobicContact CG2-CG 4.33Å; L251-K253 HydrophobicContact CD2-CG 4.29Å
254	I	94.5	Very high	90.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.4	170.3	-61.5	168.9	0	0	0	108.7	V59 V61 V85 I95 L229 V256	V59-I254 HydrophobicContact CG1-CD1 3.75Å; V59-I254 HydrophobicContact CG1-CG1 4.47Å; V61-I254 HydrophobicContact CG2-CD1 3.92Å; V85-I254 HydrophobicContact CB-CG2 4.26Å; V85-I254 HydrophobicContact CG2-CG2 3.48Å; V85-I254 VanDerWaalsContact CG2-CG2 3.48Å; I95-I254 HydrophobicContact CD1-CD1 4.29Å; I95-I254 HydrophobicContact CG1-CD1 4.2Å; I95-I254 HydrophobicContact CG2-CD1 3.86Å; L229-I254 PolarHBondContact N-O 2.91Å; L229-I254 PolarHBondContact O-N 2.94Å; I254-V256 HydrophobicContact CG2-CG1 3.99Å
255	R	94.1	Very high	91.7	Very high	55 Å²	55	36.3 Å²	36.3	21%	0.208	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133	170.5	-74	-175	177.1	171.6	6	109.1	I82 Q83 K84 V85 E228 D326	I82-R255 HydrophobicContact CG2-CG 4.26Å; Q83-R255 PolarHBondContact O-N 3.4Å; K84-R255 CarbonylContact C-O 3.6Å; K84-R255 WeakPolarHBondContact CA-O 3.49Å; K84-R255 HydrophobicContact CB-CB 4.18Å; K84-R255 HydrophobicContact CG-CB 4.07Å; V85-R255 PolarHBondContact N-O 3.42Å; E228-R255 HydrophobicContact CG-CG 3.63Å; E228-R255 IonicContact OE1-CZ 2.87Å; E228-R255 IonicContact OE1-NE 2.79Å; E228-R255 PolarHBondContact OE1-NE 2.95Å; E228-R255 IonicContact OE1-NH2 2.81Å; E228-R255 PolarHBondContact OE1-NH2 2.95Å; R255-D326 IonicContact NH2-OD1 2.71Å; R255-D326 IonicContact NH2-OD2 2.85Å
256	V	95	Very high	92.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.9	-178	-64.7	0	0	0	0	113.3	V85 W93 F147 L212 N216 I227 L229 I254	V85-V256 HydrophobicContact CB-CG1 4.47Å; V85-V256 CarbonylContact O-C 3.56Å; V85-V256 WeakPolarHBondContact O-CA 3.47Å; W93-V256 HydrophobicContact CH2-CG1 4.05Å; W93-V256 HydrophobicContact CZ2-CG1 4.29Å; F147-V256 HydrophobicContact CE1-CG2 4.25Å; L212-V256 HydrophobicContact CD1-CB 3.95Å; L212-V256 HydrophobicContact CD1-CG1 4.47Å; L212-V256 HydrophobicContact CD1-CG2 4Å; N216-V256 PolarHBondContact ND2-O 2.86Å; I227-V256 HydrophobicContact CB-CG2 4.15Å; I227-V256 HydrophobicContact CG2-CG2 4.06Å; I227-V256 WeakPolarHBondContact O-CG2 3.39Å; I227-V256 PolarHBondContact O-N 3.16Å; L229-V256 HydrophobicContact CD1-CG1 3.54Å; L229-V256 HydrophobicContact CD1-CG2 4.33Å; L229-V256 HydrophobicContact CD2-CG2 4.18Å; L229-V256 HydrophobicContact CG-CG1 3.8Å; L229-V256 HydrophobicContact CG-CG2 3.9Å; I254-V256 HydrophobicContact CG2-CG1 3.99Å
257	R	93.5	Very high	92.1	Very high	58 Å²	58	38.6 Å²	38.6	22%	0.219	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	99.9	171.5	-167.5	-179.4	-177	103.3	-6.6	110.5	V85 Y86 V87 N216 C259 D265	V85-R257 PolarHBondContact O-N 2.84Å; Y86-R257 CarbonylContact C-O 3.59Å; Y86-R257 VanDerWaalsContact CA-O 3.27Å; Y86-R257 WeakPolarHBondContact CA-O 3.31Å; Y86-R257 HydrophobicContact CD1-CB 3.9Å; Y86-R257 HydrophobicContact CD1-CG 4.21Å; Y86-R257 HydrophobicContact CE1-CB 4.15Å; Y86-R257 VanDerWaalsContact CE1-CD 3.47Å; Y86-R257 HydrophobicContact CE1-CG 4.38Å; Y86-R257 HydrophobicContact CG-CB 4.46Å; V87-R257 PolarHBondContact N-O 2.75Å; N216-R257 WeakPolarHBondContact OD1-CA 3.49Å; R257-C259 PolarHBondContact O-N 3.24Å; R257-D265 IonicContact NE-OD2 3.66Å
258	C	93.9	Very high	91.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	109.9	164.7	-165.3	0	0	0	0	111.6	V87 T89 L212 C214 N216	V87-C258 HydrophobicContact CG2-CB 4.26Å; V87-C258 CarbonylContact O-C 3.39Å; V87-C258 VanDerWaalsContact O-CA 3.26Å; V87-C258 WeakPolarHBondContact O-CA 3.37Å; T89-C258 WeakPolarHBondContact CA-SG 3.45Å; T89-C258 PolarHBondContact N-SG 3.24Å; L212-C258 HydrophobicContact CB-CB 4.28Å; L212-C258 HydrophobicContact CD1-CB 4.06Å; C214-C258 WeakPolarHBondContact O-CB 3.4Å; C214-C258 PolarHBondContact O-SG 3.42Å; N216-C258 PolarHBondContact N-O 3.15Å; N216-C258 WeakPolarHBondContact OD1-CA 3.48Å; N216-C258 WeakPolarHBondContact OD1-CB 3.28Å; N216-C258 PolarHBondContact OD1-N 3.34Å; N216-C258 PolarHBondContact OD1-O 3.11Å
259	C	92.5	Very high	91.3	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.068	20%	0.199	C	C	.	.			trans	-140.7	168.5	-179	65.6	0	0	0	0	112.1	V87 T88 R257 C261 D265	V87-C259 PolarHBondContact O-N 2.92Å; T88-C259 WeakPolarHBondContact CA-O 3.4Å; R257-C259 PolarHBondContact O-N 3.24Å; C259-C261 VanDerWaalsContact C-N 3.35Å; C259-D265 VanDerWaalsContact CB-OD2 3.24Å; C259-D265 WeakPolarHBondContact CB-OD2 3.39Å; C259-D265 PolarHBondContact SG-OD2 2.99Å; C259-D265 VanDerWaalsContact SG-OD2 3.35Å
260	S	91.2	Very high	90.5	Very high	78 Å²	78	43.1 Å²	43.1	55%	0.545	22%	0.216	S	C	.	.	S	Bend	trans	-73.9	-24.9	-178	-48.2	0	0	0	0	113.5
261	C	90.3	Very high	89.7	Confident	54 Å²	54	49.7 Å²	49.7	37%	0.365	24%	0.244	S	C	.	.			trans	-137.2	77.3	-176.7	-60.4	0	0	0	0	111.2	C259 T263 R264 D265	C259-C261 VanDerWaalsContact C-N 3.35Å; C261-T263 VanDerWaalsContact C-N 3.33Å; C261-T263 PolarHBondContact O-N 3.31Å; C261-R264 HydrophobicContact CB-CB 3.9Å; C261-R264 PolarHBondContact O-N 2.87Å; C261-D265 PolarHBondContact O-N 2.9Å
262	P	91.2	Very high	88.4	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-50.5	-46.7	-176.1	-32	38.3	0	0	0	114.4	Q75 V87 T88 R264 D265 A266	Q75-P262 HydrophobicContact CG-CB 4.25Å; V87-P262 VanDerWaalsContact C-CG 3.44Å; T88-P262 VanDerWaalsContact OG1-CD 3.28Å; T88-P262 WeakPolarHBondContact OG1-CD 3.46Å; T88-P262 VanDerWaalsContact OG1-CG 3.27Å; T88-P262 WeakPolarHBondContact OG1-CG 3.36Å; P262-R264 VanDerWaalsContact C-N 3.33Å; P262-R264 PolarHBondContact O-N 2.99Å; P262-D265 PolarHBondContact O-N 3.15Å; P262-A266 WeakPolarHBondContact O-CB 3.45Å; P262-A266 PolarHBondContact O-N 2.96Å
263	T	88.7	Confident	86.9	Confident	50 Å²	50	55.3 Å²	55.3	31%	0.307	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-37	179.1	-49.6	0	0	0	0	113.6	Q75 C261 K267	Q75-T263 PolarHBondContact NE2-OG1 2.92Å; C261-T263 VanDerWaalsContact C-N 3.33Å; C261-T263 PolarHBondContact O-N 3.31Å; T263-K267 HydrophobicContact CG2-CD 4.32Å; T263-K267 WeakPolarHBondContact O-CB 2.97Å; T263-K267 WeakPolarHBondContact O-CD 3.02Å; T263-K267 WeakPolarHBondContact O-CG 3.25Å; T263-K267 PolarHBondContact O-N 2.87Å
264	R	89.1	Confident	85.3	Confident	153 Å²	153	55.4 Å²	55.4	58%	0.577	29%	0.288	S	S	*	.	H	α-helix	trans	-71.7	-48.7	179.2	-177.8	-167.7	65.1	-170.4	-3.4	110.2	C261 P262 K267 S268	C261-R264 HydrophobicContact CB-CB 3.9Å; C261-R264 PolarHBondContact O-N 2.87Å; P262-R264 VanDerWaalsContact C-N 3.33Å; P262-R264 PolarHBondContact O-N 2.99Å; R264-K267 PolarHBondContact O-N 2.98Å; R264-S268 PolarHBondContact O-N 3.05Å; R264-S268 PolarHBondContact O-OG 3.36Å
265	D	89.6	Confident	83.3	Confident	19 Å²	19	61 Å²	61	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-36.9	-175.8	-73.8	27.2	0	0	0	111.5	Y86 R257 C259 C261 P262 S268 D269	Y86-D265 HydrophobicContact CD1-CB 4Å; Y86-D265 HydrophobicContact CE1-CB 4.25Å; R257-D265 IonicContact NE-OD2 3.66Å; C259-D265 VanDerWaalsContact CB-OD2 3.24Å; C259-D265 WeakPolarHBondContact CB-OD2 3.39Å; C259-D265 PolarHBondContact SG-OD2 2.99Å; C259-D265 VanDerWaalsContact SG-OD2 3.35Å; C261-D265 PolarHBondContact O-N 2.9Å; P262-D265 PolarHBondContact O-N 3.15Å; D265-S268 WeakPolarHBondContact CA-OG 3.32Å; D265-S268 PolarHBondContact O-N 3.49Å; D265-S268 PolarHBondContact O-OG 2.84Å; D265-D269 PolarHBondContact O-N 2.87Å; D265-D269 VanDerWaalsContact O-N 3.1Å
266	A	88.5	Confident	81.3	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.033	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-50.5	171.1	0	0	0	0	0	110.9	Q75 I77 Y86 P262 S268 D269 H270	Q75-A266 HydrophobicContact CB-CB 3.92Å; Q75-A266 HydrophobicContact CG-CB 4.37Å; I77-A266 VanDerWaalsContact CD1-C 3.46Å; I77-A266 HydrophobicContact CD1-CB 3.61Å; I77-A266 WeakPolarHBondContact CD1-O 3.25Å; I77-A266 HydrophobicContact CG1-CB 4.22Å; Y86-A266 HydrophobicContact CD1-CB 4.22Å; Y86-A266 HydrophobicContact CD2-CB 3.71Å; Y86-A266 HydrophobicContact CE1-CB 4.42Å; Y86-A266 HydrophobicContact CE2-CB 3.97Å; Y86-A266 HydrophobicContact CG-CB 3.88Å; P262-A266 WeakPolarHBondContact O-CB 3.45Å; P262-A266 PolarHBondContact O-N 2.96Å; A266-S268 VanDerWaalsContact C-N 3.28Å; A266-S268 PolarHBondContact O-N 2.8Å; A266-D269 PolarHBondContact O-N 2.85Å; A266-H270 PolarHBondContact O-N 3.39Å
267	K	87.3	Confident	78.9	Confident	130 Å²	130	69.8 Å²	69.8	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-61.3	-34.2	178.2	-74.4	175.6	-177.9	-177.2	0	112.9	T263 R264 K271	T263-K267 HydrophobicContact CG2-CD 4.32Å; T263-K267 WeakPolarHBondContact O-CB 2.97Å; T263-K267 WeakPolarHBondContact O-CD 3.02Å; T263-K267 WeakPolarHBondContact O-CG 3.25Å; T263-K267 PolarHBondContact O-N 2.87Å; R264-K267 PolarHBondContact O-N 2.98Å; K267-K271 WeakPolarHBondContact O-CB 3.47Å; K267-K271 VanDerWaalsContact O-CG 3.24Å; K267-K271 WeakPolarHBondContact O-CG 3.19Å; K267-K271 PolarHBondContact O-N 3.16Å; K267-K271 VanDerWaalsContact O-N 3.09Å
268	S	85.5	Confident	76.2	Confident	50 Å²	50	69.2 Å²	69.2	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-68.5	-44.6	176.1	52.7	0	0	0	0	112.2	R264 D265 A266 H270 K271 L272	R264-S268 PolarHBondContact O-N 3.05Å; R264-S268 PolarHBondContact O-OG 3.36Å; D265-S268 WeakPolarHBondContact CA-OG 3.32Å; D265-S268 PolarHBondContact O-N 3.49Å; D265-S268 PolarHBondContact O-OG 2.84Å; A266-S268 VanDerWaalsContact C-N 3.28Å; A266-S268 PolarHBondContact O-N 2.8Å; S268-H270 PolarHBondContact O-N 3.05Å; S268-K271 PolarHBondContact O-N 3.32Å; S268-L272 VanDerWaalsContact O-CG 3.3Å; S268-L272 WeakPolarHBondContact O-CG 3.28Å; S268-L272 PolarHBondContact O-N 3.25Å
269	D	82.2	Confident	73.3	Confident	34 Å²	34	73.9 Å²	73.9	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-66.5	-38.2	178.9	-82.4	23	0	0	0	111.2	K84 Y86 D265 A266 L272 S273	K84-D269 IonicContact NZ-OD2 3.31Å; K84-D269 PolarHBondContact NZ-OD2 3.28Å; Y86-D269 WeakPolarHBondContact OH-CB 3.48Å; Y86-D269 VanDerWaalsContact OH-CG 3.26Å; Y86-D269 PolarHBondContact OH-OD2 3.03Å; D265-D269 PolarHBondContact O-N 2.87Å; D265-D269 VanDerWaalsContact O-N 3.1Å; A266-D269 PolarHBondContact O-N 2.85Å; D269-L272 PolarHBondContact O-N 2.66Å; D269-S273 PolarHBondContact O-N 2.99Å; D269-S273 PolarHBondContact O-OG 3.23Å
270	H	76.4	Confident	70.3	Confident	108 Å²	108	78.8 Å²	78.8	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-64.5	-40.4	174.8	-167.7	-68	0	0	0	112.3	I77 A266 S268 S273 A274	I77-H270 HydrophobicContact CD1-CB 4.02Å; A266-H270 PolarHBondContact O-N 3.39Å; S268-H270 PolarHBondContact O-N 3.05Å; H270-S273 PolarHBondContact O-N 3.06Å; H270-A274 WeakPolarHBondContact O-CB 3.42Å; H270-A274 PolarHBondContact O-N 3.07Å
271	K	76.1	Confident	67.5	Low	138 Å²	138	79.7 Å²	79.7	60%	0.6	45%	0.454	S	S	*	.	H	α-helix	trans	-67.1	-39.6	177	-77.7	177.4	-179.4	-170.5	0	112.1	K267 S268 S273 A274 N275	K267-K271 WeakPolarHBondContact O-CB 3.47Å; K267-K271 VanDerWaalsContact O-CG 3.24Å; K267-K271 WeakPolarHBondContact O-CG 3.19Å; K267-K271 PolarHBondContact O-N 3.16Å; K267-K271 VanDerWaalsContact O-N 3.09Å; S268-K271 PolarHBondContact O-N 3.32Å; K271-S273 VanDerWaalsContact C-N 3.33Å; K271-A274 PolarHBondContact O-N 3.37Å; K271-N275 VanDerWaalsContact O-CB 3.31Å; K271-N275 WeakPolarHBondContact O-CB 3.12Å; K271-N275 PolarHBondContact O-N 3.19Å
272	L	68.8	Low	64.8	Low	109 Å²	109	83.7 Å²	83.7	57%	0.571	48%	0.477	S	S	*	.	H	α-helix	trans	-61.7	-44.5	175	-71.4	166.4	0	0	0	110.5	S268 D269 N275 T276	S268-L272 VanDerWaalsContact O-CG 3.3Å; S268-L272 WeakPolarHBondContact O-CG 3.28Å; S268-L272 PolarHBondContact O-N 3.25Å; D269-L272 PolarHBondContact O-N 2.66Å; L272-N275 PolarHBondContact O-N 3.16Å; L272-T276 PolarHBondContact O-N 3.34Å; L272-T276 PolarHBondContact O-OG1 3.09Å
273	S	63	Low	61.9	Low	50 Å²	50	86.6 Å²	86.6	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-40.4	178	-52.4	0	0	0	0	112.8	D269 H270 K271	D269-S273 PolarHBondContact O-N 2.99Å; D269-S273 PolarHBondContact O-OG 3.23Å; H270-S273 PolarHBondContact O-N 3.06Å; K271-S273 VanDerWaalsContact C-N 3.33Å
274	A	59.3	Low	59.6	Low	50 Å²	50	92.5 Å²	92.5	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-71.7	-37	179.5	0	0	0	0	0	112.9	H270 K271 T276 F277 G278	H270-A274 WeakPolarHBondContact O-CB 3.42Å; H270-A274 PolarHBondContact O-N 3.07Å; K271-A274 PolarHBondContact O-N 3.37Å; A274-T276 PolarHBondContact O-N 2.82Å; A274-F277 PolarHBondContact O-N 3.46Å; A274-G278 PolarHBondContact O-N 3.29Å
275	N	54.2	Low	56.8	Low	119 Å²	119	89.9 Å²	89.9	64%	0.636	54%	0.542	S	S	*	.	H	α-helix	trans	-70.2	-21.5	-179.4	-74.4	-6.6	0	0	0	112.9	K271 L272 F277	K271-N275 VanDerWaalsContact O-CB 3.31Å; K271-N275 WeakPolarHBondContact O-CB 3.12Å; K271-N275 PolarHBondContact O-N 3.19Å; L272-N275 PolarHBondContact O-N 3.16Å; N275-F277 VanDerWaalsContact C-N 3.34Å
276	T	51.2	Low	54.2	Low	57 Å²	57	94.8 Å²	94.8	35%	0.35	58%	0.577	S	S	.	*	H	α-helix	trans	-75	-22.3	177	-47.6	0	0	0	0	113.1	L272 A274 D323	L272-T276 PolarHBondContact O-N 3.34Å; L272-T276 PolarHBondContact O-OG1 3.09Å; A274-T276 PolarHBondContact O-N 2.82Å; T276-D323 WeakPolarHBondContact CG2-OD2 3.37Å
277	F	44.9	Very low	51.6	Low	184 Å²	184	105.9 Å²	105.9	81%	0.807	62%	0.618	S	S	*	*	H	α-helix	trans	-102.3	-6.6	179	-77.7	-84.3	0	0	0	114.8	A274 N275	A274-F277 PolarHBondContact O-N 3.46Å; N275-F277 VanDerWaalsContact C-N 3.34Å
278	G	36.2	Very low	49.1	Very low	47 Å²	47	110.4 Å²	110.4	49%	0.485	63%	0.632	S	S	.	*			trans	-122.7	12.7	-169.5	0	0	0	0	0	116.9	A274 S280	A274-G278 PolarHBondContact O-N 3.29Å; G278-S280 PolarHBondContact O-N 3.29Å
279	A	33.6	Very low	46.5	Very low	100 Å²	100	116.2 Å²	116.2	83%	0.826	66%	0.658	S	S	*	*			trans	-76.8	59	-177.4	0	0	0	0	0	113.3
280	S	28.7	Very low	44.1	Very low	112 Å²	112	118.9 Å²	118.9	78%	0.783	68%	0.68	S	S	*	*	S	Bend	trans	-155.1	55.8	163.5	66.9	0	0	0	0	112	G278	G278-S280 PolarHBondContact O-N 3.29Å
281	S	34.1	Very low	42	Very low	98 Å²	98	121.7 Å²	121.7	69%	0.685	70%	0.697	S	S	*	*	S	Bend	trans	-167	110.3	153.9	47.3	0	0	0	0	112.4
282	T	33.4	Very low	39.7	Very low	137 Å²	137	119.5 Å²	119.5	84%	0.84	70%	0.7	S	S	*	*			trans	41.8	105.4	141.2	54.5	0	0	0	0	119.7
283	G	28.9	Very low	37.9	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	71%	0.714	S	S	*	*			trans	56	119	131.8	0	0	0	0	0	119.2
284	I	40.4	Very low	36.5	Very low	175 Å²	175	124.2 Å²	124.2	90%	0.897	73%	0.728	S	S	*	*				174.6	114.5	126.2	-79.6	145.5	0	0	0	108.9
285	S	30.8	Very low	35.2	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	75%	0.745	S	S	*	*			trans	54.1	89.5	147.8	-152.9	0	0	0	0	120.6	R287	S285-R287 PolarHBondContact O-N 3.44Å
286	S	34.1	Very low	34.4	Very low	122 Å²	122	132 Å²	132	85%	0.853	76%	0.756	S	S	*	*			trans	-78.3	101.2	152.9	-86.8	0	0	0	0	110.3	R288	S286-R288 VanDerWaalsContact C-N 3.26Å; S286-R288 PolarHBondContact O-N 2.85Å
287	R	34.6	Very low	33.6	Very low	236 Å²	236	133.9 Å²	133.9	89%	0.891	77%	0.771	S	S	*	*			trans	-75.2	88.1	155.9	-72.5	-169.4	-155.9	177	6.8	108.7	S285 L289	S285-R287 PolarHBondContact O-N 3.44Å; R287-L289 PolarHBondContact O-N 3.38Å
288	R	34	Very low	33	Very low	225 Å²	225	132.4 Å²	132.4	85%	0.849	77%	0.772	S	S	*	*			trans	-66.8	107.6	167.9	-160.1	179.7	-169.2	-165	3	107.6	S286 S290	S286-R288 VanDerWaalsContact C-N 3.26Å; S286-R288 PolarHBondContact O-N 2.85Å; R288-S290 PolarHBondContact O-N 3.02Å
289	L	31.5	Very low	33	Very low	172 Å²	172	138.2 Å²	138.2	90%	0.901	79%	0.79	S	S	*	*			trans	-69.3	89.4	162.3	-73.4	172.6	0	0	0	107.2	R287	R287-L289 PolarHBondContact O-N 3.38Å
290	S	31.8	Very low	32.8	Very low	91 Å²	91	144.7 Å²	144.7	64%	0.636	79%	0.793	S	S	*	*			trans	-77.5	113.7	162.9	52.5	0	0	0	0	107.4	R288 S292	R288-S290 PolarHBondContact O-N 3.02Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 PolarHBondContact O-N 2.63Å; S290-S292 VanDerWaalsContact O-N 3.07Å
291	L	31.7	Very low	33.3	Very low	166 Å²	166	147.3 Å²	147.3	87%	0.869	80%	0.796	S	S	*	*			trans	-74.7	88	163.3	-77.4	163.3	0	0	0	106.6	L293	L291-L293 PolarHBondContact O-N 2.93Å
292	S	28.4	Very low	33.2	Very low	93 Å²	93	149.3 Å²	149.3	65%	0.65	80%	0.799	S	S	*	*			trans	-75.3	94	163.3	61.9	0	0	0	0	107.8	S290 S294	S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 PolarHBondContact O-N 2.63Å; S290-S292 VanDerWaalsContact O-N 3.07Å; S292-S294 PolarHBondContact O-N 3.4Å
293	L	31.3	Very low	33.4	Very low	168 Å²	168	149.6 Å²	149.6	88%	0.88	80%	0.801	S	S	*	*			trans	-76.3	78.3	160.2	-79.5	153.5	0	0	0	107.1	L291 D295	L291-L293 PolarHBondContact O-N 2.93Å; L293-D295 PolarHBondContact O-N 2.89Å
294	S	33.5	Very low	33.7	Very low	90 Å²	90	149.5 Å²	149.5	63%	0.629	80%	0.8	S	S	*	*			trans	-80.8	109.5	168.3	41.7	0	0	0	0	108.9	S292	S292-S294 PolarHBondContact O-N 3.4Å
295	D	32.4	Very low	33.4	Very low	145 Å²	145	147 Å²	147	78%	0.775	80%	0.798	S	S	*	*			trans	33.3	99.6	137.8	-65.7	-33.7	0	0	0	117.6	L293	L293-D295 PolarHBondContact O-N 2.89Å
296	H	36.2	Very low	33.7	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.866	80%	0.804	S	S	*	*			trans	-148.3	105.7	139.3	-78.3	-54.6	0	0	0	111.4
297	S	36.1	Very low	33.9	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	80%	0.8	S	S	*	*			trans	67.2	114.5	138.5	61.7	0	0	0	0	121.9
298	N	31.6	Very low	33.7	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	80%	0.798	S	S	*	*				74.1	86.6	125.2	-59.8	-21.7	0	0	0	120.4
299	I	35.1	Very low	33.6	Very low	169 Å²	169	142 Å²	142	87%	0.867	80%	0.799	S	S	*	*			trans	-137.9	112	139.2	-59.1	-176.3	0	0	0	109.7
300	R	30.4	Very low	33.6	Very low	236 Å²	236	141.4 Å²	141.4	89%	0.891	80%	0.797	S	S	*	*			trans	-69.2	134.8	171.1	-84.2	173.2	166	163.4	-4.4	110.7
301	I	39.1	Very low	33.5	Very low	166 Å²	166	142.6 Å²	142.6	85%	0.851	81%	0.805	S	S	*	*			trans	-145	124.1	135.8	-57.5	-173.3	0	0	0	109.1
302	N	32.3	Very low	33.2	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	80%	0.803	S	S	*	*			trans	-61.2	146.2	173.7	-75.3	-24.7	0	0	0	112.5
303	T	37.2	Very low	33.3	Very low	144 Å²	144	142.2 Å²	142.2	88%	0.883	81%	0.811	S	S	*	*				-173.4	125.9	122.6	29.5	0	0	0	0	108.7
304	G	34.7	Very low	33	Very low	67 Å²	67	139.4 Å²	139.4	69%	0.691	81%	0.806	S	S	*	*			trans	-73.2	164	-172.6	0	0	0	0	0	115.3
305	S	34.5	Very low	32.7	Very low	121 Å²	121	144.8 Å²	144.8	85%	0.846	82%	0.818	S	S	*	*			trans	48.9	124.3	133.1	-41	0	0	0	0	117.1
306	S	36.7	Very low	32.4	Very low	115 Å²	115	144.9 Å²	144.9	80%	0.804	82%	0.817	S	S	*	*			cis	178.7	164	15.4	29.1	0	0	0	0	107.1
307	S	37.9	Very low	31.9	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	82%	0.818	S	S	*	*			trans	84.2	71.9	177.9	134.7	0	0	0	0	116.6	R309	S307-R309 PolarHBondContact O-N 2.94Å
308	S	30.5	Very low	31.5	Very low	121 Å²	121	149.6 Å²	149.6	85%	0.846	82%	0.821	S	S	*	*			trans	7.8	97.8	145.2	54.2	0	0	0	0	119.5
309	R	33.1	Very low	31.3	Very low	229 Å²	229	149.8 Å²	149.8	86%	0.864	82%	0.82	S	S	*	*			trans	-124.1	140.2	144	-73.2	-178	-178.5	-177.2	0.6	108	S307	S307-R309 PolarHBondContact O-N 2.94Å
310	N	30.4	Very low	31.2	Very low	161 Å²	161	147.5 Å²	147.5	86%	0.861	81%	0.805	S	S	*	*			trans	69.6	96.7	166	-52.9	-16.9	0	0	0	117.2
311	S	30.1	Very low	31.1	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	80%	0.795	S	S	*	*			trans	-150.9	116.6	156.8	53.6	0	0	0	0	110.7
312	C	25.5	Very low	30.9	Very low	124 Å²	124	141.8 Å²	141.8	84%	0.838	79%	0.789	S	S	*	*			trans	-41.3	137.5	171.5	-63.3	0	0	0	0	113.4
313	P	30.3	Very low	31	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	78%	0.777	S	S	*	*			trans	-93.6	123.8	156.8	31.8	-22.5	0	0	0	110.2
314	S	26.2	Very low	30.8	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	77%	0.77	S	S	*	*			trans	-49.2	161.3	159.5	-29.1	0	0	0	0	112.6
315	K	26	Very low	30.9	Very low	203 Å²	203	142 Å²	142	88%	0.883	77%	0.772	S	S	*	*			trans	84.8	96.1	173.1	-68.2	176.8	171.5	174.2	0	116.6
316	I	26.4	Very low	30.9	Very low	146 Å²	146	140.7 Å²	140.7	75%	0.749	76%	0.755	S	S	*	*			trans	-129.1	101.9	136.5	-61	-179.6	0	0	0	107.6	R318	I316-R318 HydrophobicContact CG2-CB 4.2Å; I316-R318 HydrophobicContact CG2-CG 3.93Å; I316-R318 PolarHBondContact O-N 2.77Å
317	Q	25.2	Very low	30.9	Very low	188 Å²	188	139.9 Å²	139.9	88%	0.879	75%	0.749	S	S	*	*			trans	-61	115.5	149.1	-89.4	172.3	-32	0	0	107
318	R	28	Very low	31.1	Very low	195 Å²	195	140.5 Å²	140.5	74%	0.736	74%	0.736	S	S	*	*			trans	-142.8	102.8	152.1	-87.8	-164.4	177.7	139	0.8	109.5	I316	I316-R318 HydrophobicContact CG2-CB 4.2Å; I316-R318 HydrophobicContact CG2-CG 3.93Å; I316-R318 PolarHBondContact O-N 2.77Å
319	I	27.4	Very low	31.8	Very low	157 Å²	157	137.3 Å²	137.3	81%	0.805	71%	0.713	S	S	*	*			trans	-77.2	106.6	157.9	-64.9	163.6	0	0	0	104.7
320	E	32.4	Very low	32.7	Very low	121 Å²	121	129 Å²	129	57%	0.565	69%	0.69	S	S	*	*			trans	-135.8	94	162.6	-73.3	-176.6	173.7	0	0	106.9	E322 R365	E320-E322 PolarHBondContact O-N 2.71Å; E320-R365 IonicContact OE2-NH1 2.88Å
321	N	28.4	Very low	33.6	Very low	125 Å²	125	122.4 Å²	122.4	67%	0.668	66%	0.656	S	S	*	*			trans	-64.8	111.4	158.7	-85.5	-14.7	0	0	0	107.1
322	E	35.6	Very low	34.8	Very low	157 Å²	157	122.4 Å²	122.4	73%	0.734	65%	0.645	S	S	*	*			trans	-116.9	94.9	158.7	-75.6	-164.8	141.3	0	0	107.5	E320 C324	E320-E322 PolarHBondContact O-N 2.71Å; E322-C324 PolarHBondContact O-N 2.81Å; E322-C324 VanDerWaalsContact O-N 3.13Å
323	D	33.4	Very low	35.8	Very low	93 Å²	93	117.7 Å²	117.7	50%	0.497	61%	0.612	S	S	.	*			trans	-56.3	111.6	159.2	-90	-27.5	0	0	0	107.4	T276 Q325	T276-D323 WeakPolarHBondContact CG2-OD2 3.37Å; D323-Q325 PolarHBondContact O-N 2.78Å
324	C	33.1	Very low	36.8	Very low	108 Å²	108	119.1 Å²	119.1	73%	0.73	61%	0.612	S	S	*	*			trans	-69.2	74.4	170.9	-171.5	0	0	0	0	108.7	E322 D326	E322-C324 PolarHBondContact O-N 2.81Å; E322-C324 VanDerWaalsContact O-N 3.13Å; C324-D326 PolarHBondContact O-N 2.79Å
325	Q	36.9	Very low	37.9	Very low	156 Å²	156	117.3 Å²	117.3	73%	0.729	61%	0.611	S	S	*	*			trans	-59.4	124.9	149.3	-87	-171.2	-10.9	0	0	106	D323 S327	D323-Q325 PolarHBondContact O-N 2.78Å; Q325-S327 WeakPolarHBondContact O-CA 3.46Å; Q325-S327 PolarHBondContact O-N 2.83Å; Q325-S327 PolarHBondContact O-OG 3.45Å
326	D	35.7	Very low	38.7	Very low	93 Å²	93	116.1 Å²	116.1	50%	0.497	60%	0.601	S	S	.	*			trans	-50.9	91.1	163.9	-70.7	-45.6	0	0	0	107.5	R255 C324 Y328	R255-D326 IonicContact NH2-OD1 2.71Å; R255-D326 IonicContact NH2-OD2 2.85Å; C324-D326 PolarHBondContact O-N 2.79Å; D326-Y328 PolarHBondContact O-N 2.96Å
327	S	36.2	Very low	40.1	Very low	97 Å²	97	115.1 Å²	115.1	68%	0.678	59%	0.591	S	S	*	*			trans	-82	72.3	-169.9	-67	0	0	0	0	106.3	Q325 S329	Q325-S327 WeakPolarHBondContact O-CA 3.46Å; Q325-S327 PolarHBondContact O-N 2.83Å; Q325-S327 PolarHBondContact O-OG 3.45Å; S327-S329 PolarHBondContact O-N 3.35Å
328	Y	41.9	Very low	41.1	Very low	125 Å²	125	109.5 Å²	109.5	49%	0.49	56%	0.563	S	S	.	*			trans	-52.4	106.6	148	-65.4	-78.1	0	0	0	104.8	D326 S330 F339 T341	D326-Y328 PolarHBondContact O-N 2.96Å; Y328-S330 PolarHBondContact O-N 3.45Å; Y328-F339 HydrophobicContact CG-CD1 4.39Å; Y328-T341 HydrophobicContact CD1-CG2 4.26Å; Y328-T341 HydrophobicContact CE1-CG2 4.09Å
329	S	45.3	Very low	42.3	Very low	53 Å²	53	105.8 Å²	105.8	37%	0.371	55%	0.552	S	S	.	*			trans	-54.6	113	173.2	-75	0	0	0	0	105.3	S327 I340	S327-S329 PolarHBondContact O-N 3.35Å; S329-I340 VanDerWaalsContact O-CG1 3.24Å; S329-I340 WeakPolarHBondContact O-CG1 3.45Å; S329-I340 PolarHBondContact O-N 3.11Å
330	S	51.2	Low	43.4	Very low	54 Å²	54	100.2 Å²	100.2	38%	0.378	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.2	179.3	77.4	0	0	0	0	108.9	Y328 K337 Y338	Y328-S330 PolarHBondContact O-N 3.45Å; S330-K337 VanDerWaalsContact CB-CE 3.41Å; S330-K337 WeakPolarHBondContact OG-CE 3.31Å; S330-Y338 CarbonylContact C-O 3.55Å; S330-Y338 WeakPolarHBondContact CA-O 3.46Å; S330-Y338 WeakPolarHBondContact CB-O 3.41Å
331	V	51	Low	44	Very low	24 Å²	24	99.1 Å²	99.1	15%	0.145	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.1	176	-175.3	0	0	0	0	107.4	L333 Y338 I340 I379 Y383	V331-L333 HydrophobicContact CG1-CD1 4.35Å; V331-L333 HydrophobicContact CG1-CD2 3.86Å; V331-L333 HydrophobicContact CG1-CG 3.86Å; V331-Y338 PolarHBondContact N-O 3.04Å; V331-Y338 WeakPolarHBondContact O-CD2 3.46Å; V331-Y338 PolarHBondContact O-N 2.87Å; V331-I340 HydrophobicContact CG2-CD1 4.23Å; V331-I379 HydrophobicContact CG2-CG2 4.18Å; V331-Y383 HydrophobicContact CG2-CE2 4.09Å
332	I	54.5	Low	44.6	Very low	115 Å²	115	98.2 Å²	98.2	59%	0.59	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.7	172.2	-57.8	174.5	0	0	0	108.2	R336 K337	I332-R336 CarbonylContact C-O 3.6Å; I332-R336 VanDerWaalsContact CA-O 3.26Å; I332-R336 WeakPolarHBondContact CA-O 3.24Å; I332-K337 HydrophobicContact CG1-CB 4.43Å; I332-K337 HydrophobicContact CG1-CG 4.41Å
333	L	45.7	Very low	44.9	Very low	25 Å²	25	94.3 Å²	94.3	13%	0.131	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.3	173.6	-54.3	166.8	0	0	0	108.4	V331 G335 R336 Y338 K380 Y383	V331-L333 HydrophobicContact CG1-CD1 4.35Å; V331-L333 HydrophobicContact CG1-CD2 3.86Å; V331-L333 HydrophobicContact CG1-CG 3.86Å; L333-G335 PolarHBondContact O-N 2.83Å; L333-R336 PolarHBondContact N-O 3.34Å; L333-R336 WeakPolarHBondContact O-CB 3.45Å; L333-R336 PolarHBondContact O-N 2.97Å; L333-Y338 HydrophobicContact CB-CD2 4.05Å; L333-Y338 HydrophobicContact CB-CE2 3.68Å; L333-Y338 HydrophobicContact CD1-CD2 4.04Å; L333-Y338 HydrophobicContact CD1-CE2 4.13Å; L333-Y338 HydrophobicContact CG-CD2 4.13Å; L333-Y338 HydrophobicContact CG-CE2 4.21Å; L333-K380 HydrophobicContact CD2-CG 4.34Å; L333-Y383 HydrophobicContact CD1-CD1 4.17Å; L333-Y383 HydrophobicContact CD1-CG 4.01Å
334	N	51.5	Low	45.3	Very low	156 Å²	156	95.4 Å²	95.4	83%	0.834	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	41.1	179	-58.9	-16.8	0	0	0	113.9	R336	N334-R336 PolarHBondContact O-N 2.83Å
335	G	50	Low	45.7	Very low	73 Å²	73	93.7 Å²	93.7	75%	0.753	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-2.3	-178.5	0	0	0	0	0	115.2	L333	L333-G335 PolarHBondContact O-N 2.83Å
336	R	42.6	Very low	46	Very low	177 Å²	177	90.6 Å²	90.6	67%	0.668	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.7	176.7	-64.6	-177.8	178.9	-179.1	-1.1	110.7	I332 L333 N334 Y338	I332-R336 CarbonylContact C-O 3.6Å; I332-R336 VanDerWaalsContact CA-O 3.26Å; I332-R336 WeakPolarHBondContact CA-O 3.24Å; L333-R336 PolarHBondContact N-O 3.34Å; L333-R336 WeakPolarHBondContact O-CB 3.45Å; L333-R336 PolarHBondContact O-N 2.97Å; N334-R336 PolarHBondContact O-N 2.83Å; R336-Y338 HydrophobicContact CB-CD2 4.44Å; R336-Y338 HydrophobicContact CB-CE2 3.63Å; R336-Y338 WeakPolarHBondContact O-CD2 3.38Å; R336-Y338 WeakPolarHBondContact O-CE2 3.38Å
337	K	56	Low	46.6	Very low	125 Å²	125	94.7 Å²	94.7	54%	0.543	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.2	177.1	-171.7	178.3	-177.2	-178.6	0	109.1	S330 I332 F339	S330-K337 VanDerWaalsContact CB-CE 3.41Å; S330-K337 WeakPolarHBondContact OG-CE 3.31Å; I332-K337 HydrophobicContact CG1-CB 4.43Å; I332-K337 HydrophobicContact CG1-CG 4.41Å; K337-F339 HydrophobicContact CD-CE1 4.31Å; K337-F339 HydrophobicContact CD-CE2 4.47Å; K337-F339 HydrophobicContact CD-CZ 3.87Å; K337-F339 HydrophobicContact CG-CE2 4.42Å; K337-F339 HydrophobicContact CG-CZ 4.21Å
338	Y	46.8	Very low	47.3	Very low	71 Å²	71	93 Å²	93	28%	0.278	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.1	175.8	-62.4	-90.8	0	0	0	109	S330 V331 L333 R336	S330-Y338 CarbonylContact C-O 3.55Å; S330-Y338 WeakPolarHBondContact CA-O 3.46Å; S330-Y338 WeakPolarHBondContact CB-O 3.41Å; V331-Y338 PolarHBondContact N-O 3.04Å; V331-Y338 WeakPolarHBondContact O-CD2 3.46Å; V331-Y338 PolarHBondContact O-N 2.87Å; L333-Y338 HydrophobicContact CB-CD2 4.05Å; L333-Y338 HydrophobicContact CB-CE2 3.68Å; L333-Y338 HydrophobicContact CD1-CD2 4.04Å; L333-Y338 HydrophobicContact CD1-CE2 4.13Å; L333-Y338 HydrophobicContact CG-CD2 4.13Å; L333-Y338 HydrophobicContact CG-CE2 4.21Å; R336-Y338 HydrophobicContact CB-CD2 4.44Å; R336-Y338 HydrophobicContact CB-CE2 3.63Å; R336-Y338 WeakPolarHBondContact O-CD2 3.38Å; R336-Y338 WeakPolarHBondContact O-CE2 3.38Å
339	F	53.5	Low	47.3	Very low	117 Å²	117	94.8 Å²	94.8	51%	0.513	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.1	172.9	-60.6	-85.3	0	0	0	108.8	Y328 K337	Y328-F339 HydrophobicContact CG-CD1 4.39Å; K337-F339 HydrophobicContact CD-CE1 4.31Å; K337-F339 HydrophobicContact CD-CE2 4.47Å; K337-F339 HydrophobicContact CD-CZ 3.87Å; K337-F339 HydrophobicContact CG-CE2 4.42Å; K337-F339 HydrophobicContact CG-CZ 4.21Å
340	I	49.4	Very low	47.2	Very low	40 Å²	40	97.6 Å²	97.6	21%	0.205	52%	0.52	C	S	.	.			trans	-86.4	115.8	174.6	-36.1	-158.5	0	0	0	108.3	S329 V331 Y383	S329-I340 VanDerWaalsContact O-CG1 3.24Å; S329-I340 WeakPolarHBondContact O-CG1 3.45Å; S329-I340 PolarHBondContact O-N 3.11Å; V331-I340 HydrophobicContact CG2-CD1 4.23Å; I340-Y383 HydrophobicContact CD1-CE2 3.8Å; I340-Y383 WeakPolarHBondContact CD1-OH 3.27Å; I340-Y383 HydrophobicContact CG1-CE2 4.45Å; I340-Y383 WeakPolarHBondContact CG1-OH 3.41Å
341	T	44.7	Very low	46.9	Very low	98 Å²	98	96.8 Å²	96.8	60%	0.601	52%	0.516	S	S	*	.			trans	-112.1	123.6	166.9	37.1	0	0	0	0	109.2	Y328	Y328-T341 HydrophobicContact CD1-CG2 4.26Å; Y328-T341 HydrophobicContact CE1-CG2 4.09Å
342	M	41.9	Very low	46.7	Very low	106 Å²	106	98 Å²	98	52%	0.522	52%	0.522	S	S	.	.			trans	-80.4	134.3	170	-65.8	-80.2	-66.3	0	0	108.4	L355	M342-L355 HydrophobicContact CE-CB 4.29Å; M342-L355 HydrophobicContact SD-CB 4.35Å; M342-L355 HydrophobicContact SD-CD2 3.85Å
343	T	41.5	Very low	46.3	Very low	74 Å²	74	97.4 Å²	97.4	45%	0.454	52%	0.524	S	S	.	.			trans	-117.3	141	172.8	75.8	0	0	0	0	109.2	D345	T343-D345 PolarHBondContact O-N 2.82Å
344	D	41.3	Very low	46.5	Very low	117 Å²	117	99.3 Å²	99.3	63%	0.626	54%	0.537	S	S	*	.			trans	-89.1	33.9	177.2	-64.7	-46.7	0	0	0	112	N165 P346	N165-D344 PolarHBondContact ND2-OD2 2.94Å; D344-P346 VanDerWaalsContact O-CD 3.25Å; D344-P346 WeakPolarHBondContact O-CD 3.16Å
345	D	42.5	Very low	46.3	Very low	71 Å²	71	94.3 Å²	94.3	38%	0.38	51%	0.51	S	S	.	.			trans	-67.2	116.3	-178	-166.4	-28	0	0	0	110.7	T343 E347 V348	T343-D345 PolarHBondContact O-N 2.82Å; D345-E347 PolarHBondContact O-N 3.4Å; D345-E347 PolarHBondContact OD1-N 3.27Å; D345-V348 HydrophobicContact CB-CG2 4.19Å; D345-V348 PolarHBondContact O-N 2.81Å
346	P	42.4	Very low	46.2	Very low	92 Å²	92	100 Å²	100	60%	0.597	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.8	-178.1	27.4	-34.4	0	0	0	114.1	D344 K349	D344-P346 VanDerWaalsContact O-CD 3.25Å; D344-P346 WeakPolarHBondContact O-CD 3.16Å; P346-K349 WeakPolarHBondContact O-CG 3.31Å
347	E	48.9	Very low	46.6	Very low	178 Å²	178	96.5 Å²	96.5	83%	0.832	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.9	178.8	-66.2	-165.3	158.4	0	0	113.6	D345 K349	D345-E347 PolarHBondContact O-N 3.4Å; D345-E347 PolarHBondContact OD1-N 3.27Å; E347-K349 VanDerWaalsContact C-N 3.32Å; E347-K349 PolarHBondContact O-N 2.87Å
348	V	50.5	Low	46.3	Very low	61 Å²	61	91.3 Å²	91.3	37%	0.37	48%	0.481	S	S	.	.			trans	-96.4	35.7	-177.3	-171.3	0	0	0	0	111.7	D345 S350 A351 N352	D345-V348 HydrophobicContact CB-CG2 4.19Å; D345-V348 PolarHBondContact O-N 2.81Å; V348-S350 VanDerWaalsContact C-N 3.27Å; V348-S350 PolarHBondContact O-N 3.17Å; V348-A351 HydrophobicContact CG1-CB 3.79Å; V348-A351 PolarHBondContact O-N 3.37Å; V348-N352 VanDerWaalsContact O-CG 3.29Å; V348-N352 PolarHBondContact O-N 3.22Å; V348-N352 PolarHBondContact O-ND2 2.89Å
349	K	41.3	Very low	46.4	Very low	164 Å²	164	90.3 Å²	90.3	71%	0.713	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.7	-174.8	-88.1	175.5	-178.2	174	0	115.2	P346 E347	P346-K349 WeakPolarHBondContact O-CG 3.31Å; E347-K349 VanDerWaalsContact C-N 3.32Å; E347-K349 PolarHBondContact O-N 2.87Å
350	S	43.7	Very low	46.4	Very low	112 Å²	112	86.9 Å²	86.9	78%	0.783	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-21.1	178.8	64.5	0	0	0	0	114.1	V348	V348-S350 VanDerWaalsContact C-N 3.27Å; V348-S350 PolarHBondContact O-N 3.17Å
351	A	45.2	Very low	46.4	Very low	36 Å²	36	86.4 Å²	86.4	30%	0.298	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.6	177.8	0	0	0	0	0	113.6	V348 T353 T354 L355	V348-A351 HydrophobicContact CG1-CB 3.79Å; V348-A351 PolarHBondContact O-N 3.37Å; A351-T353 PolarHBondContact O-N 2.95Å; A351-T354 PolarHBondContact O-N 3.43Å; A351-T354 PolarHBondContact O-OG1 2.94Å; A351-L355 PolarHBondContact O-N 3.46Å
352	N	45.9	Very low	46.6	Very low	50 Å²	50	85 Å²	85	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-72.8	-19.1	-174.6	-84.8	-24.1	0	0	0	115.1	V348 R356	V348-N352 VanDerWaalsContact O-CG 3.29Å; V348-N352 PolarHBondContact O-N 3.22Å; V348-N352 PolarHBondContact O-ND2 2.89Å; N352-R356 PolarHBondContact O-N 3.09Å
353	T	47.8	Very low	46.9	Very low	102 Å²	102	84.4 Å²	84.4	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-68.3	-45.7	170.4	39.6	0	0	0	0	111.1	A351 L355 R356 D357	A351-T353 PolarHBondContact O-N 2.95Å; T353-L355 VanDerWaalsContact C-N 3.3Å; T353-L355 PolarHBondContact O-N 2.88Å; T353-R356 PolarHBondContact O-N 3.26Å; T353-D357 PolarHBondContact O-N 2.92Å
354	T	49.6	Very low	47	Very low	66 Å²	66	87.1 Å²	87.1	41%	0.405	48%	0.481	S	S	.	.	H	α-helix	trans	-63.6	-32.3	175.3	13.5	0	0	0	0	113.5	A351 L358 L382	A351-T354 PolarHBondContact O-N 3.43Å; A351-T354 PolarHBondContact O-OG1 2.94Å; T354-L358 WeakPolarHBondContact O-CG 3.35Å; T354-L358 PolarHBondContact O-N 3.47Å; T354-L382 HydrophobicContact CG2-CD1 4.01Å
355	L	47.6	Very low	47.3	Very low	51 Å²	51	90.3 Å²	90.3	27%	0.267	48%	0.484	S	S	.	.	H	α-helix	trans	-78.9	-35.1	177.8	-79.1	159.5	0	0	0	113.1	M342 A351 T353 D357 L358 S359	M342-L355 HydrophobicContact CE-CB 4.29Å; M342-L355 HydrophobicContact SD-CB 4.35Å; M342-L355 HydrophobicContact SD-CD2 3.85Å; A351-L355 PolarHBondContact O-N 3.46Å; T353-L355 VanDerWaalsContact C-N 3.3Å; T353-L355 PolarHBondContact O-N 2.88Å; L355-D357 VanDerWaalsContact C-N 3.33Å; L355-L358 HydrophobicContact CD2-CD1 4.07Å; L355-L358 WeakPolarHBondContact O-CB 3.2Å; L355-L358 PolarHBondContact O-N 2.94Å; L355-S359 PolarHBondContact O-N 2.76Å
356	R	47.6	Very low	47.6	Very low	191 Å²	191	90.9 Å²	90.9	72%	0.721	48%	0.481	S	S	*	.	H	α-helix	trans	-64.2	-37.6	168.8	-82.5	-174.7	-178.8	172.1	1.2	112.4	N352 T353 L358 S359 A360	N352-R356 PolarHBondContact O-N 3.09Å; T353-R356 PolarHBondContact O-N 3.26Å; R356-L358 VanDerWaalsContact C-N 3.25Å; R356-L358 PolarHBondContact O-N 3.21Å; R356-S359 PolarHBondContact O-N 2.85Å; R356-S359 PolarHBondContact O-OG 3.02Å; R356-A360 WeakPolarHBondContact O-CB 3.46Å; R356-A360 PolarHBondContact O-N 3.37Å
357	D	50.7	Low	47.6	Very low	104 Å²	104	93.1 Å²	93.1	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-63.6	-34.7	173.4	-73.3	-16	0	0	0	111.2	T353 L355 L361	T353-D357 PolarHBondContact O-N 2.92Å; L355-D357 VanDerWaalsContact C-N 3.33Å; D357-L361 WeakPolarHBondContact O-CB 3.39Å; D357-L361 WeakPolarHBondContact O-CD1 3.34Å; D357-L361 WeakPolarHBondContact O-CG 3.39Å; D357-L361 PolarHBondContact O-N 3.32Å
358	L	49.4	Very low	47.3	Very low	17 Å²	17	87.7 Å²	87.7	9%	0.089	47%	0.474	C	S	.	.	H	α-helix	trans	-70.6	-39.9	174.6	-72.5	163.4	0	0	0	112.7	T354 L355 R356 A360 L361 T362 I379 L382	T354-L358 WeakPolarHBondContact O-CG 3.35Å; T354-L358 PolarHBondContact O-N 3.47Å; L355-L358 HydrophobicContact CD2-CD1 4.07Å; L355-L358 WeakPolarHBondContact O-CB 3.2Å; L355-L358 PolarHBondContact O-N 2.94Å; R356-L358 VanDerWaalsContact C-N 3.25Å; R356-L358 PolarHBondContact O-N 3.21Å; L358-A360 VanDerWaalsContact C-N 3.32Å; L358-L361 PolarHBondContact O-N 3.21Å; L358-T362 WeakPolarHBondContact O-CG2 3.41Å; L358-T362 PolarHBondContact O-N 2.79Å; L358-T362 PolarHBondContact O-OG1 3.39Å; L358-I379 HydrophobicContact CD2-CG1 3.95Å; L358-L382 HydrophobicContact CD1-CD1 3.73Å; L358-L382 HydrophobicContact CD1-CD2 3.51Å; L358-L382 HydrophobicContact CD1-CG 4.25Å; L358-L382 HydrophobicContact CD2-CD1 4.15Å; L358-L382 HydrophobicContact CD2-CD2 4.39Å; L358-L382 HydrophobicContact CG-CD1 4.02Å; L358-L382 HydrophobicContact CG-CD2 4.45Å
359	S	49.9	Very low	47.3	Very low	49 Å²	49	88.8 Å²	88.8	34%	0.343	48%	0.484	S	S	.	.	H	α-helix	trans	-65.9	-36.7	175.8	70	0	0	0	0	111.8	L355 R356 L361 T362 S363	L355-S359 PolarHBondContact O-N 2.76Å; R356-S359 PolarHBondContact O-N 2.85Å; R356-S359 PolarHBondContact O-OG 3.02Å; S359-L361 VanDerWaalsContact C-N 3.33Å; S359-T362 WeakPolarHBondContact CA-OG1 3.42Å; S359-T362 PolarHBondContact O-N 2.62Å; S359-T362 PolarHBondContact O-OG1 2.8Å; S359-S363 WeakPolarHBondContact O-CB 3.47Å; S359-S363 PolarHBondContact O-N 3.2Å; S359-S363 PolarHBondContact O-OG 2.91Å
360	A	52.1	Low	48.1	Very low	46 Å²	46	90.6 Å²	90.6	38%	0.38	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-38.3	172.7	0	0	0	0	0	111.8	R356 L358 T362 S363 E364	R356-A360 WeakPolarHBondContact O-CB 3.46Å; R356-A360 PolarHBondContact O-N 3.37Å; L358-A360 VanDerWaalsContact C-N 3.32Å; A360-T362 VanDerWaalsContact C-N 3.34Å; A360-S363 PolarHBondContact O-OG 3.23Å; A360-E364 PolarHBondContact O-N 3.12Å
361	L	49.3	Very low	48.8	Very low	29 Å²	29	87.6 Å²	87.6	15%	0.152	47%	0.465	C	S	.	.	H	α-helix	trans	-71.9	-23.9	176.5	-72.4	171.9	0	0	0	113.4	D357 L358 S359 W366 A375	D357-L361 WeakPolarHBondContact O-CB 3.39Å; D357-L361 WeakPolarHBondContact O-CD1 3.34Å; D357-L361 WeakPolarHBondContact O-CG 3.39Å; D357-L361 PolarHBondContact O-N 3.32Å; L358-L361 PolarHBondContact O-N 3.21Å; S359-L361 VanDerWaalsContact C-N 3.33Å; L361-W366 VanDerWaalsContact O-CE2 3.27Å; L361-W366 WeakPolarHBondContact O-CZ2 3.47Å; L361-W366 PolarHBondContact O-NE1 2.9Å; L361-A375 HydrophobicContact CD1-CB 4.3Å; L361-A375 HydrophobicContact CD2-CB 3.6Å; L361-A375 HydrophobicContact CG-CB 4.37Å
362	T	49.2	Very low	49.3	Very low	69 Å²	69	93.3 Å²	93.3	42%	0.423	48%	0.479	S	S	.	.	H	α-helix	trans	-92.8	-21.2	176	56.6	0	0	0	0	113.4	L358 S359 A360	L358-T362 WeakPolarHBondContact O-CG2 3.41Å; L358-T362 PolarHBondContact O-N 2.79Å; L358-T362 PolarHBondContact O-OG1 3.39Å; S359-T362 WeakPolarHBondContact CA-OG1 3.42Å; S359-T362 PolarHBondContact O-N 2.62Å; S359-T362 PolarHBondContact O-OG1 2.8Å; A360-T362 VanDerWaalsContact C-N 3.34Å
363	S	47.5	Very low	50.2	Low	93 Å²	93	95.6 Å²	95.6	65%	0.65	49%	0.491	S	S	*	.	H	α-helix	trans	-84.4	-19.5	176.3	72	0	0	0	0	114.3	S359 A360 R365	S359-S363 WeakPolarHBondContact O-CB 3.47Å; S359-S363 PolarHBondContact O-N 3.2Å; S359-S363 PolarHBondContact O-OG 2.91Å; A360-S363 PolarHBondContact O-OG 3.23Å; S363-R365 PolarHBondContact O-N 3.27Å
364	E	45	Very low	51.2	Low	132 Å²	132	100.1 Å²	100.1	62%	0.617	50%	0.497	S	S	*	.	S	Bend	trans	-72.7	118.8	174.9	-79.9	-175.3	173.9	0	0	110.8	A360 W366	A360-E364 PolarHBondContact O-N 3.12Å; E364-W366 PolarHBondContact O-N 2.81Å; E364-W366 PolarHBondContact O-NE1 2.79Å
365	R	46.6	Very low	51.6	Low	183 Å²	183	97.2 Å²	97.2	69%	0.691	48%	0.48	S	S	*	.			trans	-56.5	110.6	167.8	-76.1	-177.5	174.6	-152.9	-6.7	108.8	E320 S363 T367	E320-R365 IonicContact OE2-NH1 2.88Å; S363-R365 PolarHBondContact O-N 3.27Å; R365-T367 VanDerWaalsContact C-N 3.33Å; R365-T367 PolarHBondContact O-N 2.83Å
366	W	49.6	Very low	52.3	Low	84 Å²	84	98 Å²	98	32%	0.318	48%	0.484	S	S	.	.			trans	-74.2	83.7	-177.7	-54.8	77.3	0	0	0	110.5	L361 E364 C368 S371 R372 A375	L361-W366 VanDerWaalsContact O-CE2 3.27Å; L361-W366 WeakPolarHBondContact O-CZ2 3.47Å; L361-W366 PolarHBondContact O-NE1 2.9Å; E364-W366 PolarHBondContact O-N 2.81Å; E364-W366 PolarHBondContact O-NE1 2.79Å; W366-C368 PolarHBondContact O-N 2.81Å; W366-S371 WeakPolarHBondContact CZ3-O 3.49Å; W366-R372 HydrophobicContact CE3-CB 4.08Å; W366-R372 VanDerWaalsContact CE3-N 3.34Å; W366-R372 HydrophobicContact CZ3-CB 4.48Å; W366-R372 WeakPolarHBondContact CZ3-O 3.33Å; W366-A375 HydrophobicContact CH2-CB 3.05Å; W366-A375 HydrophobicContact CZ2-CB 4.13Å; W366-A375 HydrophobicContact CZ3-CB 3.27Å
367	T	42.9	Very low	53.5	Low	138 Å²	138	96.5 Å²	96.5	85%	0.847	48%	0.483	S	S	*	.			trans	-72.9	-5.2	-174.7	52.4	0	0	0	0	114.8	R365	R365-T367 VanDerWaalsContact C-N 3.33Å; R365-T367 PolarHBondContact O-N 2.83Å
368	C	41.3	Very low	54.4	Low	65 Å²	65	99.4 Å²	99.4	44%	0.439	49%	0.486	S	S	.	.	S	Bend	trans	-148.9	145	-178.2	-176.2	0	0	0	0	113.3	W366 R370 S371 R372	W366-C368 PolarHBondContact O-N 2.81Å; C368-R370 PolarHBondContact O-N 3.43Å; C368-S371 PolarHBondContact O-N 3.32Å; C368-S371 PolarHBondContact O-OG 3.13Å; C368-R372 PolarHBondContact O-N 3.24Å; C368-R372 VanDerWaalsContact O-N 3.16Å
369	S	50.4	Low	55.1	Low	84 Å²	84	99.1 Å²	99.1	59%	0.587	49%	0.485	S	S	*	.	H	α-helix	trans	-58.8	-29.4	179.1	66.3	0	0	0	0	113.9	N373	S369-N373 PolarHBondContact O-N 2.93Å; S369-N373 PolarHBondContact O-ND2 3.22Å; S369-N373 VanDerWaalsContact O-ND2 3.09Å
370	R	58.7	Low	56	Low	202 Å²	202	101.6 Å²	101.6	76%	0.762	49%	0.489	S	S	*	.	H	α-helix	trans	-71.7	-40.4	177.8	-76.6	-175.2	174.1	-175.5	-0.5	112.7	C368 R374	C368-R370 PolarHBondContact O-N 3.43Å; R370-R374 PolarHBondContact O-N 3.47Å
371	S	58.9	Low	57	Low	48 Å²	48	107.9 Å²	107.9	34%	0.336	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-46.1	175.3	61.5	0	0	0	0	109.3	W366 C368 N373 R374 A375	W366-S371 WeakPolarHBondContact CZ3-O 3.49Å; C368-S371 PolarHBondContact O-N 3.32Å; C368-S371 PolarHBondContact O-OG 3.13Å; S371-N373 PolarHBondContact O-N 2.95Å; S371-R374 WeakPolarHBondContact O-CB 3.43Å; S371-R374 PolarHBondContact O-N 3.07Å; S371-A375 PolarHBondContact O-N 3.17Å; S371-A375 VanDerWaalsContact O-N 3.08Å
372	R	54.8	Low	57.8	Low	156 Å²	156	108.1 Å²	108.1	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-48.4	-53.3	174.3	-170.3	173.5	173	157.2	-1.3	113.2	W366 C368 R374 L376	W366-R372 HydrophobicContact CE3-CB 4.08Å; W366-R372 VanDerWaalsContact CE3-N 3.34Å; W366-R372 HydrophobicContact CZ3-CB 4.48Å; W366-R372 WeakPolarHBondContact CZ3-O 3.33Å; C368-R372 PolarHBondContact O-N 3.24Å; C368-R372 VanDerWaalsContact O-N 3.16Å; R372-R374 VanDerWaalsContact C-N 3.35Å; R372-R374 PolarHBondContact O-N 3Å; R372-L376 HydrophobicContact CG-CD1 3.89Å; R372-L376 HydrophobicContact CG-CG 4.43Å; R372-L376 VanDerWaalsContact O-CB 3.29Å; R372-L376 WeakPolarHBondContact O-CB 3.42Å; R372-L376 VanDerWaalsContact O-CG 3.3Å; R372-L376 WeakPolarHBondContact O-CG 3.28Å; R372-L376 PolarHBondContact O-N 3.01Å
373	N	64.6	Low	58.5	Low	98 Å²	98	106.7 Å²	106.7	52%	0.524	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-35.4	179.9	-81.7	-47.3	0	0	0	113.4	S369 S371 K377	S369-N373 PolarHBondContact O-N 2.93Å; S369-N373 PolarHBondContact O-ND2 3.22Å; S369-N373 VanDerWaalsContact O-ND2 3.09Å; S371-N373 PolarHBondContact O-N 2.95Å; N373-K377 WeakPolarHBondContact O-CB 3.23Å; N373-K377 WeakPolarHBondContact O-CG 3.4Å; N373-K377 PolarHBondContact O-N 3.23Å
374	R	69.1	Low	59.4	Low	197 Å²	197	109.3 Å²	109.3	74%	0.743	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-49.2	178	-83.6	-174.1	178.7	-173.4	0.4	111.9	R370 S371 R372 K377 R378	R370-R374 PolarHBondContact O-N 3.47Å; S371-R374 WeakPolarHBondContact O-CB 3.43Å; S371-R374 PolarHBondContact O-N 3.07Å; R372-R374 VanDerWaalsContact C-N 3.35Å; R372-R374 PolarHBondContact O-N 3Å; R374-K377 WeakPolarHBondContact O-CB 3.33Å; R374-K377 PolarHBondContact O-N 2.92Å; R374-R378 PolarHBondContact O-N 3.34Å
375	A	58.2	Low	60.6	Low	6 Å²	6	107.9 Å²	107.9	5%	0.05	48%	0.484	C	S	.	.	H	α-helix	trans	-82.8	-21.3	-178.7	0	0	0	0	0	114.1	L361 W366 S371 K377 R378 I379	L361-A375 HydrophobicContact CD1-CB 4.3Å; L361-A375 HydrophobicContact CD2-CB 3.6Å; L361-A375 HydrophobicContact CG-CB 4.37Å; W366-A375 HydrophobicContact CH2-CB 3.05Å; W366-A375 HydrophobicContact CZ2-CB 4.13Å; W366-A375 HydrophobicContact CZ3-CB 3.27Å; S371-A375 PolarHBondContact O-N 3.17Å; S371-A375 VanDerWaalsContact O-N 3.08Å; A375-K377 VanDerWaalsContact C-N 3.32Å; A375-K377 PolarHBondContact O-N 3.47Å; A375-R378 PolarHBondContact O-N 2.95Å; A375-I379 WeakPolarHBondContact O-CB 3.45Å; A375-I379 VanDerWaalsContact O-CG1 3.23Å; A375-I379 WeakPolarHBondContact O-CG1 3.26Å; A375-I379 PolarHBondContact O-N 2.83Å
376	L	62.3	Low	61.4	Low	67 Å²	67	103.4 Å²	103.4	35%	0.351	47%	0.473	S	S	.	.	H	α-helix	trans	-59.5	-40.5	159.5	-77.8	173	0	0	0	112.2	R372 R378 K380	R372-L376 HydrophobicContact CG-CD1 3.89Å; R372-L376 HydrophobicContact CG-CG 4.43Å; R372-L376 VanDerWaalsContact O-CB 3.29Å; R372-L376 WeakPolarHBondContact O-CB 3.42Å; R372-L376 VanDerWaalsContact O-CG 3.3Å; R372-L376 WeakPolarHBondContact O-CG 3.28Å; R372-L376 PolarHBondContact O-N 3.01Å; L376-R378 VanDerWaalsContact C-N 3.35Å; L376-K380 WeakPolarHBondContact O-CB 3.42Å; L376-K380 VanDerWaalsContact O-CG 3.31Å; L376-K380 WeakPolarHBondContact O-CG 3.37Å; L376-K380 PolarHBondContact O-N 2.78Å
377	K	72.3	Confident	61.9	Low	160 Å²	160	103 Å²	103	70%	0.696	48%	0.475	S	S	*	.	H	α-helix	trans	-63.5	-38.8	173.4	-81.5	-179.1	179.3	-175.8	0	112.1	N373 R374 A375 R381	N373-K377 WeakPolarHBondContact O-CB 3.23Å; N373-K377 WeakPolarHBondContact O-CG 3.4Å; N373-K377 PolarHBondContact O-N 3.23Å; R374-K377 WeakPolarHBondContact O-CB 3.33Å; R374-K377 PolarHBondContact O-N 2.92Å; A375-K377 VanDerWaalsContact C-N 3.32Å; A375-K377 PolarHBondContact O-N 3.47Å; K377-R381 WeakPolarHBondContact O-CB 3.34Å; K377-R381 PolarHBondContact O-N 3.33Å
378	R	69.5	Low	63	Low	164 Å²	164	101 Å²	101	62%	0.619	46%	0.459	S	S	*	.	H	α-helix	trans	-64.9	-49.3	175.6	-70.9	-178.1	174.5	177.6	-3.3	111.5	R374 A375 L376 K380 R381 L382	R374-R378 PolarHBondContact O-N 3.34Å; A375-R378 PolarHBondContact O-N 2.95Å; L376-R378 VanDerWaalsContact C-N 3.35Å; R378-K380 PolarHBondContact O-N 3.32Å; R378-R381 PolarHBondContact O-N 2.87Å; R378-R381 VanDerWaalsContact O-N 3.13Å; R378-L382 WeakPolarHBondContact O-CB 3.48Å; R378-L382 PolarHBondContact O-N 3.39Å
379	I	64.2	Low	64.2	Low	12 Å²	12	105.4 Å²	105.4	6%	0.062	47%	0.467	C	S	.	.	H	α-helix	trans	-56.6	-49.6	175.7	-67.4	164.5	0	0	0	110.1	V331 L358 A375 R381 L382 Y383	V331-I379 HydrophobicContact CG2-CG2 4.18Å; L358-I379 HydrophobicContact CD2-CG1 3.95Å; A375-I379 WeakPolarHBondContact O-CB 3.45Å; A375-I379 VanDerWaalsContact O-CG1 3.23Å; A375-I379 WeakPolarHBondContact O-CG1 3.26Å; A375-I379 PolarHBondContact O-N 2.83Å; I379-R381 VanDerWaalsContact C-N 3.3Å; I379-R381 PolarHBondContact O-N 2.83Å; I379-L382 PolarHBondContact O-N 2.99Å; I379-L382 VanDerWaalsContact O-N 3.16Å; I379-Y383 HydrophobicContact CG2-CD2 3.68Å; I379-Y383 HydrophobicContact CG2-CE2 3.79Å; I379-Y383 WeakPolarHBondContact O-CD2 3.42Å; I379-Y383 PolarHBondContact O-N 3.41Å
380	K	69.2	Low	64.6	Low	100 Å²	100	105.2 Å²	105.2	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-32.3	177.1	-76.5	-177.4	177.8	-172.7	0	114.1	L333 L376 R378 R384	L333-K380 HydrophobicContact CD2-CG 4.34Å; L376-K380 WeakPolarHBondContact O-CB 3.42Å; L376-K380 VanDerWaalsContact O-CG 3.31Å; L376-K380 WeakPolarHBondContact O-CG 3.37Å; L376-K380 PolarHBondContact O-N 2.78Å; R378-K380 PolarHBondContact O-N 3.32Å; K380-R384 PolarHBondContact O-N 3.33Å; K380-R384 PolarHBondContact O-NE 3.35Å
381	R	73.7	Confident	64.9	Low	178 Å²	178	99.3 Å²	99.3	67%	0.672	45%	0.448	S	S	*	.	H	α-helix	trans	-72.1	-42.7	175.5	-178.9	-179.8	-84.4	174.1	-7.7	110.3	K377 R378 I379 R384 N385	K377-R381 WeakPolarHBondContact O-CB 3.34Å; K377-R381 PolarHBondContact O-N 3.33Å; R378-R381 PolarHBondContact O-N 2.87Å; R378-R381 VanDerWaalsContact O-N 3.13Å; I379-R381 VanDerWaalsContact C-N 3.3Å; I379-R381 PolarHBondContact O-N 2.83Å; R381-R384 PolarHBondContact O-N 2.83Å; R381-N385 VanDerWaalsContact O-CG 3.32Å; R381-N385 PolarHBondContact O-N 3.07Å; R381-N385 PolarHBondContact O-OD1 2.79Å
382	L	65.3	Low	65.1	Low	35 Å²	35	101.4 Å²	101.4	18%	0.183	46%	0.456	C	S	.	.	H	α-helix	trans	-65.2	-43.7	179.8	-171.3	142.5	0	0	0	111.9	T354 L358 R378 I379 R384 N385 L386	T354-L382 HydrophobicContact CG2-CD1 4.01Å; L358-L382 HydrophobicContact CD1-CD1 3.73Å; L358-L382 HydrophobicContact CD1-CD2 3.51Å; L358-L382 HydrophobicContact CD1-CG 4.25Å; L358-L382 HydrophobicContact CD2-CD1 4.15Å; L358-L382 HydrophobicContact CD2-CD2 4.39Å; L358-L382 HydrophobicContact CG-CD1 4.02Å; L358-L382 HydrophobicContact CG-CD2 4.45Å; R378-L382 WeakPolarHBondContact O-CB 3.48Å; R378-L382 PolarHBondContact O-N 3.39Å; I379-L382 PolarHBondContact O-N 2.99Å; I379-L382 VanDerWaalsContact O-N 3.16Å; L382-R384 PolarHBondContact O-N 3.41Å; L382-N385 PolarHBondContact O-N 3.03Å; L382-L386 HydrophobicContact CD2-CD1 3.46Å; L382-L386 VanDerWaalsContact CD2-CD1 3.46Å; L382-L386 HydrophobicContact CG-CD1 4.33Å; L382-L386 PolarHBondContact O-N 2.83Å
383	Y	63.6	Low	65.4	Low	39 Å²	39	96 Å²	96	15%	0.153	44%	0.442	C	S	.	.	H	α-helix	trans	-61.2	-41.2	174.2	-91.1	-77.9	0	0	0	113.3	V331 L333 I340 I379 N385 L386 E387	V331-Y383 HydrophobicContact CG2-CE2 4.09Å; L333-Y383 HydrophobicContact CD1-CD1 4.17Å; L333-Y383 HydrophobicContact CD1-CG 4.01Å; I340-Y383 HydrophobicContact CD1-CE2 3.8Å; I340-Y383 WeakPolarHBondContact CD1-OH 3.27Å; I340-Y383 HydrophobicContact CG1-CE2 4.45Å; I340-Y383 WeakPolarHBondContact CG1-OH 3.41Å; I379-Y383 HydrophobicContact CG2-CD2 3.68Å; I379-Y383 HydrophobicContact CG2-CE2 3.79Å; I379-Y383 WeakPolarHBondContact O-CD2 3.42Å; I379-Y383 PolarHBondContact O-N 3.41Å; Y383-N385 VanDerWaalsContact C-N 3.33Å; Y383-N385 PolarHBondContact O-N 3.23Å; Y383-L386 PolarHBondContact O-N 2.78Å; Y383-E387 WeakPolarHBondContact O-CB 3.06Å; Y383-E387 PolarHBondContact O-N 3.44Å
384	R	68.2	Low	64.9	Low	148 Å²	148	94.6 Å²	94.6	56%	0.558	44%	0.437	S	S	*	.	H	α-helix	trans	-63.2	-39.4	174.6	-87	-176	-75.8	-162.7	-0.3	112.5	K380 R381 L382 E387 N388	K380-R384 PolarHBondContact O-N 3.33Å; K380-R384 PolarHBondContact O-NE 3.35Å; R381-R384 PolarHBondContact O-N 2.83Å; L382-R384 PolarHBondContact O-N 3.41Å; R384-E387 PolarHBondContact O-N 2.85Å; R384-N388 WeakPolarHBondContact O-CB 3.12Å; R384-N388 PolarHBondContact O-N 3.1Å; R384-N388 PolarHBondContact O-ND2 3.08Å
385	N	69.7	Low	64.5	Low	101 Å²	101	89.3 Å²	89.3	54%	0.54	43%	0.426	S	S	.	.	H	α-helix	trans	-66.1	-39.8	176.4	-69.1	-1.5	0	0	0	111.6	R381 L382 Y383 Y389	R381-N385 VanDerWaalsContact O-CG 3.32Å; R381-N385 PolarHBondContact O-N 3.07Å; R381-N385 PolarHBondContact O-OD1 2.79Å; L382-N385 PolarHBondContact O-N 3.03Å; Y383-N385 VanDerWaalsContact C-N 3.33Å; Y383-N385 PolarHBondContact O-N 3.23Å; N385-Y389 WeakPolarHBondContact O-CB 2.99Å; N385-Y389 PolarHBondContact O-N 3.42Å
386	L	63.3	Low	64.8	Low	89 Å²	89	95.7 Å²	95.7	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-43.1	175	-99.7	142	0	0	0	112.4	L382 Y383 Y389 V390	L382-L386 HydrophobicContact CD2-CD1 3.46Å; L382-L386 VanDerWaalsContact CD2-CD1 3.46Å; L382-L386 HydrophobicContact CG-CD1 4.33Å; L382-L386 PolarHBondContact O-N 2.83Å; Y383-L386 PolarHBondContact O-N 2.78Å; L386-Y389 PolarHBondContact O-N 3.4Å; L386-V390 WeakPolarHBondContact O-CB 3.33Å; L386-V390 VanDerWaalsContact O-CG2 3.31Å; L386-V390 WeakPolarHBondContact O-CG2 3.28Å; L386-V390 PolarHBondContact O-N 3.25Å
387	E	60.1	Low	64.4	Low	77 Å²	77	97.9 Å²	97.9	36%	0.36	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-46.2	175.9	-170.6	172.8	-160.8	0	0	110.5	Y383 R384 Y389 V390 V391	Y383-E387 WeakPolarHBondContact O-CB 3.06Å; Y383-E387 PolarHBondContact O-N 3.44Å; R384-E387 PolarHBondContact O-N 2.85Å; E387-Y389 VanDerWaalsContact C-N 3.35Å; E387-Y389 PolarHBondContact O-N 2.99Å; E387-V390 PolarHBondContact O-N 3.37Å; E387-V391 WeakPolarHBondContact O-CB 3.25Å; E387-V391 VanDerWaalsContact O-CG2 3.23Å; E387-V391 WeakPolarHBondContact O-CG2 3.49Å; E387-V391 PolarHBondContact O-N 2.99Å
388	N	65.8	Low	63.3	Low	96 Å²	96	95.9 Å²	95.9	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-42.7	173.9	-69.9	-13	0	0	0	111.9	R384 V391 D392	R384-N388 WeakPolarHBondContact O-CB 3.12Å; R384-N388 PolarHBondContact O-N 3.1Å; R384-N388 PolarHBondContact O-ND2 3.08Å; N388-V391 PolarHBondContact O-N 3.35Å; N388-D392 WeakPolarHBondContact O-CB 3.24Å; N388-D392 VanDerWaalsContact O-CG 3.29Å; N388-D392 PolarHBondContact O-N 3.3Å
389	Y	66	Low	62.9	Low	157 Å²	157	91.7 Å²	91.7	62%	0.616	45%	0.453	S	S	*	.	H	α-helix	trans	-64.3	-43.7	178.3	-178.8	-96.3	0	0	0	112.5	N385 L386 E387 D392 C393	N385-Y389 WeakPolarHBondContact O-CB 2.99Å; N385-Y389 PolarHBondContact O-N 3.42Å; L386-Y389 PolarHBondContact O-N 3.4Å; E387-Y389 VanDerWaalsContact C-N 3.35Å; E387-Y389 PolarHBondContact O-N 2.99Å; Y389-D392 PolarHBondContact O-N 3.5Å; Y389-C393 VanDerWaalsContact CE1-SG 3.53Å; Y389-C393 VanDerWaalsContact CZ-SG 3.55Å; Y389-C393 WeakPolarHBondContact O-CB 3.34Å; Y389-C393 PolarHBondContact O-N 3.3Å; Y389-C393 PolarHBondContact O-SG 3.41Å
390	V	60	Low	62.6	Low	80 Å²	80	100.3 Å²	100.3	49%	0.485	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-44.6	176.6	171.8	0	0	0	0	110.1	L386 E387 D392 C393 T394	L386-V390 WeakPolarHBondContact O-CB 3.33Å; L386-V390 VanDerWaalsContact O-CG2 3.31Å; L386-V390 WeakPolarHBondContact O-CG2 3.28Å; L386-V390 PolarHBondContact O-N 3.25Å; E387-V390 PolarHBondContact O-N 3.37Å; V390-D392 PolarHBondContact O-N 2.96Å; V390-C393 PolarHBondContact O-N 3.25Å; V390-T394 WeakPolarHBondContact O-CB 3.18Å; V390-T394 PolarHBondContact O-N 3.04Å; V390-T394 PolarHBondContact O-OG1 3.45Å
391	V	62.9	Low	61.9	Low	77 Å²	77	103.2 Å²	103.2	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-47.3	175.3	171	0	0	0	0	110.6	E387 N388 C393 T394 V395	E387-V391 WeakPolarHBondContact O-CB 3.25Å; E387-V391 VanDerWaalsContact O-CG2 3.23Å; E387-V391 WeakPolarHBondContact O-CG2 3.49Å; E387-V391 PolarHBondContact O-N 2.99Å; N388-V391 PolarHBondContact O-N 3.35Å; V391-C393 VanDerWaalsContact C-N 3.33Å; V391-C393 PolarHBondContact O-N 3.3Å; V391-T394 PolarHBondContact O-N 3.48Å; V391-V395 HydrophobicContact CG1-CG2 4.26Å; V391-V395 WeakPolarHBondContact O-CB 3.22Å; V391-V395 VanDerWaalsContact O-CG2 3.24Å; V391-V395 WeakPolarHBondContact O-CG2 3.27Å; V391-V395 PolarHBondContact O-N 2.94Å
392	D	64.8	Low	60.7	Low	92 Å²	92	97.4 Å²	97.4	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-39.6	177.5	-78.3	-11.1	0	0	0	112.4	N388 Y389 V390 K396	N388-D392 WeakPolarHBondContact O-CB 3.24Å; N388-D392 VanDerWaalsContact O-CG 3.29Å; N388-D392 PolarHBondContact O-N 3.3Å; Y389-D392 PolarHBondContact O-N 3.5Å; V390-D392 PolarHBondContact O-N 2.96Å; D392-K396 WeakPolarHBondContact O-CB 3.43Å; D392-K396 VanDerWaalsContact O-CG 3.23Å; D392-K396 WeakPolarHBondContact O-CG 3.3Å; D392-K396 PolarHBondContact O-N 2.97Å
393	C	61	Low	59.9	Low	44 Å²	44	102.2 Å²	102.2	30%	0.297	52%	0.519	S	S	.	.	H	α-helix	trans	-68.4	-44.3	176.3	-68.8	0	0	0	0	111.6	Y389 V390 V391 V395 K396 E397	Y389-C393 VanDerWaalsContact CE1-SG 3.53Å; Y389-C393 VanDerWaalsContact CZ-SG 3.55Å; Y389-C393 WeakPolarHBondContact O-CB 3.34Å; Y389-C393 PolarHBondContact O-N 3.3Å; Y389-C393 PolarHBondContact O-SG 3.41Å; V390-C393 PolarHBondContact O-N 3.25Å; V391-C393 VanDerWaalsContact C-N 3.33Å; V391-C393 PolarHBondContact O-N 3.3Å; C393-V395 PolarHBondContact O-N 3.09Å; C393-K396 PolarHBondContact O-N 3.39Å; C393-E397 WeakPolarHBondContact O-CB 3.14Å; C393-E397 WeakPolarHBondContact O-CG 3.49Å; C393-E397 PolarHBondContact O-N 3.42Å
394	T	53.2	Low	59	Low	68 Å²	68	107.1 Å²	107.1	42%	0.417	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-40.2	178.1	-33	0	0	0	0	111.3	V390 V391 E397 L398	V390-T394 WeakPolarHBondContact O-CB 3.18Å; V390-T394 PolarHBondContact O-N 3.04Å; V390-T394 PolarHBondContact O-OG1 3.45Å; V391-T394 PolarHBondContact O-N 3.48Å; T394-E397 PolarHBondContact O-N 2.81Å; T394-L398 HydrophobicContact CG2-CD1 4.1Å; T394-L398 VanDerWaalsContact O-CB 3.31Å; T394-L398 WeakPolarHBondContact O-CB 3.24Å; T394-L398 VanDerWaalsContact O-CG 3.25Å; T394-L398 WeakPolarHBondContact O-CG 3.43Å; T394-L398 PolarHBondContact O-N 3.49Å
395	V	61.5	Low	57.6	Low	86 Å²	86	105.5 Å²	105.5	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-40.9	175.2	170.7	0	0	0	0	110.7	V391 C393 S399	V391-V395 HydrophobicContact CG1-CG2 4.26Å; V391-V395 WeakPolarHBondContact O-CB 3.22Å; V391-V395 VanDerWaalsContact O-CG2 3.24Å; V391-V395 WeakPolarHBondContact O-CG2 3.27Å; V391-V395 PolarHBondContact O-N 2.94Å; C393-V395 PolarHBondContact O-N 3.09Å; V395-S399 WeakPolarHBondContact O-CB 3.31Å; V395-S399 PolarHBondContact O-N 2.91Å
396	K	65	Low	56.1	Low	140 Å²	140	108.1 Å²	108.1	61%	0.609	57%	0.57	S	S	*	*	H	α-helix	trans	-66.1	-41.4	175	-76.2	171.9	-176.9	173.8	0	112.9	D392 C393 R400	D392-K396 WeakPolarHBondContact O-CB 3.43Å; D392-K396 VanDerWaalsContact O-CG 3.23Å; D392-K396 WeakPolarHBondContact O-CG 3.3Å; D392-K396 PolarHBondContact O-N 2.97Å; C393-K396 PolarHBondContact O-N 3.39Å; K396-R400 WeakPolarHBondContact O-CG 3.38Å; K396-R400 PolarHBondContact O-N 3.35Å
397	E	52.6	Low	55.1	Low	112 Å²	112	109.7 Å²	109.7	52%	0.523	59%	0.586	S	S	.	*	H	α-helix	trans	-63.2	-46.6	175.1	-84.7	-91.6	137.2	0	0	111.7	C393 T394 R400 K401	C393-E397 WeakPolarHBondContact O-CB 3.14Å; C393-E397 WeakPolarHBondContact O-CG 3.49Å; C393-E397 PolarHBondContact O-N 3.42Å; T394-E397 PolarHBondContact O-N 2.81Å; E397-R400 PolarHBondContact O-N 3.45Å; E397-K401 PolarHBondContact O-N 3.05Å
398	L	49.4	Very low	54.3	Low	119 Å²	119	111 Å²	111	62%	0.623	60%	0.603	S	S	*	*	H	α-helix	trans	-67.9	-36.5	177.8	-72.6	167.9	0	0	0	111.9	T394 R400 K401 G402	T394-L398 HydrophobicContact CG2-CD1 4.1Å; T394-L398 VanDerWaalsContact O-CB 3.31Å; T394-L398 WeakPolarHBondContact O-CB 3.24Å; T394-L398 VanDerWaalsContact O-CG 3.25Å; T394-L398 WeakPolarHBondContact O-CG 3.43Å; T394-L398 PolarHBondContact O-N 3.49Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-K401 PolarHBondContact O-N 3.41Å; L398-G402 PolarHBondContact O-N 3.22Å
399	S	60.6	Low	53	Low	75 Å²	75	115.7 Å²	115.7	52%	0.524	62%	0.622	S	S	.	*	H	α-helix	trans	-72.8	-24.5	176.9	-161.2	0	0	0	0	112.9	V395	V395-S399 WeakPolarHBondContact O-CB 3.31Å; V395-S399 PolarHBondContact O-N 2.91Å
400	R	58	Low	51.7	Low	193 Å²	193	111.6 Å²	111.6	73%	0.728	63%	0.628	S	S	*	*	H	α-helix	trans	-76.3	-42.8	169.5	-78.4	179	176.3	178.9	-2.5	112	K396 E397 L398 G402	K396-R400 WeakPolarHBondContact O-CG 3.38Å; K396-R400 PolarHBondContact O-N 3.35Å; E397-R400 PolarHBondContact O-N 3.45Å; L398-R400 VanDerWaalsContact C-N 3.32Å; R400-G402 VanDerWaalsContact C-N 3.3Å; R400-G402 PolarHBondContact O-N 3.28Å
401	K	54.3	Low	50.8	Low	161 Å²	161	113.1 Å²	113.1	70%	0.7	64%	0.643	S	S	*	*	H	α-helix	trans	-71.9	-19.8	177.5	-85.7	175.5	175	163.9	0	114.3	E397 L398	E397-K401 PolarHBondContact O-N 3.05Å; L398-K401 PolarHBondContact O-N 3.41Å
402	G	48.9	Very low	50	Low	57 Å²	57	119 Å²	119	59%	0.588	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-11.8	177.5	0	0	0	0	0	115.6	L398 R400	L398-G402 PolarHBondContact O-N 3.22Å; R400-G402 VanDerWaalsContact C-N 3.3Å; R400-G402 PolarHBondContact O-N 3.28Å
403	N	49.4	Very low	48.9	Very low	136 Å²	136	123 Å²	123	73%	0.727	68%	0.681	S	S	*	*	S	Bend	trans	-106.6	0.1	-173.1	-87.6	2.3	0	0	0	115.4
404	D	45.1	Very low	48.1	Very low	142 Å²	142	125.7 Å²	125.7	76%	0.759	70%	0.7	S	S	*	*	S	Bend	trans	-109.6	18.7	-175.7	-73.1	-25.8	0	0	0	114.7
405	C	38.1	Very low	47.7	Very low	113 Å²	113	128.6 Å²	128.6	76%	0.764	72%	0.718	S	S	*	*			trans	-139	62.4	177.7	-76.9	0	0	0	0	113.6
406	I	38.7	Very low	46.9	Very low	156 Å²	156	129.4 Å²	129.4	80%	0.8	73%	0.727	S	S	*	*			trans	-145.5	102.8	154.5	-52.5	179	0	0	0	109.3
407	P	42.1	Very low	45.9	Very low	122 Å²	122	128 Å²	128	79%	0.792	74%	0.735	S	S	*	*			trans	-77.4	120.7	150.1	6.6	11.4	0	0	0	107.2	Q409	P407-Q409 PolarHBondContact O-N 3.04Å
408	S	42.1	Very low	45.3	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	75%	0.753	S	S	*	*			trans	-55.5	120.1	176.4	60.3	0	0	0	0	110.8	G410	S408-G410 VanDerWaalsContact C-N 3.31Å; S408-G410 PolarHBondContact O-N 3.07Å
409	Q	39.3	Very low	45	Very low	195 Å²	195	129.4 Å²	129.4	91%	0.911	76%	0.761	S	S	*	*			trans	-68.3	96	156.5	-79.9	-167.6	-29.7	0	0	107.8	P407	P407-Q409 PolarHBondContact O-N 3.04Å
410	G	38.4	Very low	44.4	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	77%	0.771	S	S	*	*			trans	-86.5	102	166	0	0	0	0	0	109	S408 Q412	S408-G410 VanDerWaalsContact C-N 3.31Å; S408-G410 PolarHBondContact O-N 3.07Å; G410-Q412 PolarHBondContact O-N 3.49Å
411	S	41.4	Very low	43.7	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	78%	0.776	S	S	*	*			trans	-57.5	120.5	167.8	-35.3	0	0	0	0	110.1
412	Q	45.7	Very low	43.2	Very low	200 Å²	200	124.9 Å²	124.9	94%	0.935	78%	0.779	S	S	*	*			trans	-134.5	114.2	151.5	-86.5	-164.4	-48.1	0	0	109.4	G410	G410-Q412 PolarHBondContact O-N 3.49Å
413	E	43.2	Very low	43.1	Very low	177 Å²	177	129.5 Å²	129.5	83%	0.827	79%	0.79	S	S	*	*			trans	-67.4	155.5	171.5	-68.1	172.3	137.1	0	0	111.2
414	S	44.1	Very low	43	Very low	100 Å²	100	132 Å²	132	70%	0.699	80%	0.795	S	S	*	*			trans	83.3	114.2	140.4	62.4	0	0	0	0	119.8
415	T	44.1	Very low	43	Very low	129 Å²	129	130 Å²	130	79%	0.791	79%	0.791	S	S	*	*				107.7	119.5	128.8	54.6	0	0	0	0	120.6
416	S	43.8	Very low	43.6	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	80%	0.795	S	S	*	*			trans	74.3	95.8	138.5	57.7	0	0	0	0	120.1
417	S	44.1	Very low	44.1	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	79%	0.788	S	S	*	*				37.8	117.8	116.1	59.1	0	0	0	0	119
418	T	40.8	Very low	44.8	Very low	150 Å²	150	128.5 Å²	128.5	92%	0.92	79%	0.788	S	S	*	*			trans	-135	120.3	147.5	39.4	0	0	0	0	109.8
419	S	43.6	Very low	45.4	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	79%	0.791	S	S	*	*			trans	-137.6	148.8	162.7	65.2	0	0	0	0	108.8
420	S	47.2	Very low	45.8	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	79%	0.785	S	S	*	*			trans	89.2	103	166.1	86.1	0	0	0	0	118.3
421	T	43.3	Very low	47	Very low	138 Å²	138	134 Å²	134	85%	0.847	81%	0.809	S	S	*	*				44.7	120.5	124	40	0	0	0	0	121.1
422	A	44.3	Very low	47.2	Very low	91 Å²	91	135 Å²	135	75%	0.752	81%	0.81	S	S	*	*				173.8	109.5	122.2	0	0	0	0	0	108.2
423	D	45.7	Very low	47.3	Very low	155 Å²	155	131.6 Å²	131.6	83%	0.829	80%	0.803	S	S	*	*				63.5	107.7	97.4	-90.3	-15	0	0	0	115.2
424	K	47.6	Very low	47.6	Very low	189 Å²	189	129.1 Å²	129.1	82%	0.822	80%	0.802	S	S	*	*				165.2	139.7	106.2	-103.8	175.5	178	174.6	0	114.6
425	C	45.7	Very low	47.8	Very low	100 Å²	100	130.8 Å²	130.8	68%	0.676	81%	0.808	S	S	*	*			trans	84.7	107.3	136.5	-75.6	0	0	0	0	120.5
426	I	50.6	Low	48	Very low	168 Å²	168	130.9 Å²	130.9	86%	0.862	81%	0.809	S	S	*	*				155.7	133.1	97.2	-83.8	144.8	0	0	0	112.9
427	G	48.7	Very low	48.3	Very low	63 Å²	63	132.8 Å²	132.8	65%	0.649	82%	0.815	S	S	*	*			trans	81.2	136.4	148.9	0	0	0	0	0	116.3
428	T	57.4	Low	48.6	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	82%	0.818	S	S	*	*			cis	-170.5	139.5	20.8	32.8	0	0	0	0	109.2
429	D	54.7	Low	49.2	Very low	147 Å²	147	133.2 Å²	133.2	79%	0.786	81%	0.811	S	S	*	*			trans	38.2	111.2	140.7	-57.7	-29.9	0	0	0	123.1
430	N	46.6	Very low	49.6	Very low	147 Å²	147	135 Å²	135	79%	0.786	81%	0.813	S	S	*	*				45.6	144.5	114.4	-82.7	9	0	0	0	122
431	P	63.7	Low	49.8	Very low	190 Å²	190	137.8 Å²	137.8	100%	1.234	82%	0.821	S	S	*	*			cis	-102	0	46.9	3.7	16.3	0	0	0	117

Retrieved 431 of 431 residues in 917.2 ms (Link to these results)

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