A0A077YUJ5_TRITR Loading...

Kunitz protease inhibitor

AlphaFold DB , UniProt , Accession A0A077YUJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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	40.6	Very low	53.9	Low	231 Å²	231	129.5 Å²	129.5	100%	1.138	71%	0.708	S	S	*	*				0	113.8	0	-71.3	153.5	67.7	0	0	107.5
2	N	48.2	Very low	53.8	Low	155 Å²	155	124.3 Å²	124.3	83%	0.829	70%	0.695	S	S	*	*			trans	153.9	46.6	165.9	-76	-17.8	0	0	0	109.4	P4	N2-P4 VanDerWaalsContact C-CD 3.43Å
3	G	55.7	Low	53.7	Low	61 Å²	61	127.5 Å²	127.5	63%	0.629	71%	0.709	S	S	*	*			trans	-81.9	-21.4	174.9	0	0	0	0	0	116.6	M5	G3-M5 PolarHBondContact O-N 3.34Å
4	P	55.6	Low	52.8	Low	96 Å²	96	124.6 Å²	124.6	62%	0.623	70%	0.702	S	S	*	*	H	α-helix	trans	-85.7	-10.6	-170.6	32.8	-32.5	0	0	0	114	N2	N2-P4 VanDerWaalsContact C-CD 3.43Å
5	M	58.8	Low	52.1	Low	142 Å²	142	128.6 Å²	128.6	70%	0.7	71%	0.709	S	S	*	*	H	α-helix	trans	-79.9	-32	-179.1	-127.1	-74.3	158.7	0	0	112.6	G3 L7 L8	G3-M5 PolarHBondContact O-N 3.34Å; M5-L7 VanDerWaalsContact C-N 3.34Å; M5-L8 PolarHBondContact O-N 2.83Å
6	L	60.2	Low	51.4	Low	122 Å²	122	128.7 Å²	128.7	64%	0.639	71%	0.714	S	S	*	*	H	α-helix	trans	-77.2	-23.4	177.3	-165.4	63	0	0	0	112.4	L8 L9	L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 3.26Å; L6-L9 HydrophobicContact CD1-CD1 4.08Å; L6-L9 PolarHBondContact O-N 3.28Å
7	L	55.7	Low	50.7	Low	109 Å²	109	128.8 Å²	128.8	57%	0.571	72%	0.718	S	S	*	*	H	α-helix	trans	-68.7	-25.2	175.9	-158.3	73.9	0	0	0	112.3	M5 L10	M5-L7 VanDerWaalsContact C-N 3.34Å; L7-L10 HydrophobicContact CD1-CD1 4.25Å; L7-L10 PolarHBondContact O-N 2.79Å
8	L	54	Low	50.5	Low	113 Å²	113	127.1 Å²	127.1	59%	0.592	72%	0.723	S	S	*	*	H	α-helix	trans	-75.1	-27.7	175.4	-78.7	163.1	0	0	0	113	M5 L6 L10 L11	M5-L8 PolarHBondContact O-N 2.83Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 3.26Å; L8-L10 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 3.48Å
9	L	53.3	Low	50.1	Low	129 Å²	129	128.4 Å²	128.4	68%	0.675	73%	0.728	S	S	*	*	H	α-helix	trans	-69.5	-21.4	170.4	-91.4	151.5	0	0	0	112.2	L6	L6-L9 HydrophobicContact CD1-CD1 4.08Å; L6-L9 PolarHBondContact O-N 3.28Å
10	L	55.9	Low	49.9	Very low	134 Å²	134	131.6 Å²	131.6	70%	0.702	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-10.3	179.1	-66.7	172.7	0	0	0	114	L7 L8	L7-L10 HydrophobicContact CD1-CD1 4.25Å; L7-L10 PolarHBondContact O-N 2.79Å; L8-L10 PolarHBondContact O-N 3.4Å
11	L	55	Low	49.5	Very low	132 Å²	132	134.3 Å²	134.3	69%	0.691	74%	0.744	S	S	*	*	S	Bend	trans	-107.8	7.8	-174.7	-72	177.5	0	0	0	116	L8	L8-L11 PolarHBondContact O-N 3.48Å
12	A	53.2	Low	49.3	Very low	67 Å²	67	132.8 Å²	132.8	55%	0.554	73%	0.731	S	S	*	*	S	Bend	trans	-124.1	4.5	-175.2	0	0	0	0	0	117.5
13	L	51.7	Low	48.8	Very low	167 Å²	167	131 Å²	131	87%	0.874	73%	0.728	S	S	*	*			trans	-117.7	28.9	174.1	-69.3	170.6	0	0	0	114	F15	L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 3.17Å
14	S	41.4	Very low	48.2	Very low	87 Å²	87	137.8 Å²	137.8	61%	0.608	74%	0.74	S	S	*	*			trans	-75.2	77.6	153.3	49.3	0	0	0	0	110.9
15	F	42.9	Very low	47.6	Very low	184 Å²	184	138.5 Å²	138.5	81%	0.807	75%	0.747	S	S	*	*			trans	-143.9	82.6	157.5	-72	-75	0	0	0	106.5	L13	L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 3.17Å
16	V	40.2	Very low	46.8	Very low	130 Å²	130	143.5 Å²	143.5	79%	0.788	76%	0.758	S	S	*	*				58.1	87	92.8	-173.4	0	0	0	0	111.8
17	V	40.2	Very low	45.9	Very low	130 Å²	130	145.4 Å²	145.4	79%	0.788	77%	0.767	S	S	*	*			trans	-143.5	103.3	135.6	-177	0	0	0	0	105.8
18	A	47.1	Very low	45.6	Very low	98 Å²	98	151.2 Å²	151.2	81%	0.81	78%	0.781	S	S	*	*			trans	-108.4	110.8	165	0	0	0	0	0	105.9
19	D	42.1	Very low	45.3	Very low	153 Å²	153	157 Å²	157	82%	0.818	80%	0.795	S	S	*	*			trans	-64.3	142.9	179.1	-91.7	-56.1	0	0	0	111.7	E21	D19-E21 PolarHBondContact O-N 2.68Å
20	E	46.5	Very low	45.1	Very low	192 Å²	192	158.7 Å²	158.7	90%	0.897	80%	0.8	S	S	*	*			trans	-60.1	119.7	-176.9	-65.4	-170.6	131.3	0	0	112.7	K22	E20-K22 PolarHBondContact O-N 3.23Å
21	E	41.1	Very low	44.5	Very low	189 Å²	189	158.4 Å²	158.4	88%	0.883	80%	0.803	S	S	*	*			trans	-67.1	111.3	165	-72.6	-165	143.9	0	0	110.2	D19	D19-E21 PolarHBondContact O-N 2.68Å
22	K	37.3	Very low	44.3	Very low	199 Å²	199	160 Å²	160	87%	0.865	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60.5	133.2	173	-154.6	172.6	-173	178.4	0	110.3	E20 K24	E20-K22 PolarHBondContact O-N 3.23Å; K22-K24 PolarHBondContact O-N 3.46Å
23	P	36.7	Very low	44.2	Very low	118 Å²	118	164.9 Å²	164.9	77%	0.766	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.9	-161.9	25.6	-34	0	0	0	113.4	S25	P23-S25 PolarHBondContact O-N 3.49Å
24	K	44.3	Very low	44.6	Very low	203 Å²	203	161.1 Å²	161.1	88%	0.883	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.7	116.1	166.1	-71.8	173.6	-179	166.8	0	109.1	K22 R26	K22-K24 PolarHBondContact O-N 3.46Å; K24-R26 PolarHBondContact O-N 3.27Å; K24-R26 VanDerWaalsContact O-N 3.13Å
25	S	41.6	Very low	44.8	Very low	110 Å²	110	166 Å²	166	77%	0.769	82%	0.816	S	S	*	*			trans	-56.9	113.3	178.7	54.9	0	0	0	0	111.2	P23 I27	P23-S25 PolarHBondContact O-N 3.49Å; S25-I27 PolarHBondContact O-N 3.29Å
26	R	42	Very low	45.6	Very low	247 Å²	247	164.1 Å²	164.1	93%	0.932	81%	0.814	S	S	*	*			trans	-60.1	115.8	169.6	-106.9	177.1	173.8	-179.4	-1.1	109.6	K24 R28	K24-R26 PolarHBondContact O-N 3.27Å; K24-R26 VanDerWaalsContact O-N 3.13Å; R26-R28 PolarHBondContact O-N 3.03Å; R26-R28 VanDerWaalsContact O-N 3.08Å
27	I	41.5	Very low	46.2	Very low	162 Å²	162	166.3 Å²	166.3	83%	0.831	82%	0.818	S	S	*	*			trans	-61.8	108.9	168.6	-65.4	165.1	0	0	0	107.8	S25 R29	S25-I27 PolarHBondContact O-N 3.29Å; I27-R29 PolarHBondContact O-N 3.45Å
28	R	49.3	Very low	47	Very low	231 Å²	231	169 Å²	169	87%	0.872	82%	0.815	S	S	*	*			trans	-71.9	108.1	176.1	-159.7	176.8	-172.2	-177.5	2.1	107.5	R26 Q30	R26-R28 PolarHBondContact O-N 3.03Å; R26-R28 VanDerWaalsContact O-N 3.08Å; R28-Q30 PolarHBondContact O-N 3.17Å
29	R	48.3	Very low	47.6	Very low	234 Å²	234	170.1 Å²	170.1	88%	0.883	81%	0.814	S	S	*	*			trans	-57.6	104.6	170.5	-73.5	-179.2	176.3	178.4	-2	108.1	I27 V31	I27-R29 PolarHBondContact O-N 3.45Å; R29-V31 PolarHBondContact O-N 3.23Å
30	Q	48	Very low	48.6	Very low	166 Å²	166	171.6 Å²	171.6	78%	0.776	82%	0.818	S	S	*	*			trans	-71.5	115.6	169.3	-72.9	-176.8	-19.1	0	0	107.6	R28 M32	R28-Q30 PolarHBondContact O-N 3.17Å; Q30-M32 PolarHBondContact O-N 2.91Å
31	V	44.6	Very low	49.8	Very low	127 Å²	127	168.4 Å²	168.4	77%	0.77	81%	0.812	S	S	*	*			trans	-71.5	111.2	171.3	177.6	0	0	0	0	106.8	R29 H33	R29-V31 PolarHBondContact O-N 3.23Å; V31-H33 PolarHBondContact O-N 2.9Å
32	M	50.5	Low	50.9	Low	166 Å²	166	164.8 Å²	164.8	82%	0.818	81%	0.805	S	S	*	*			trans	-69.6	118.3	176.7	-70	-79.3	-173.5	0	0	109.1	Q30	Q30-M32 PolarHBondContact O-N 2.91Å
33	H	51	Low	52.4	Low	169 Å²	169	160.7 Å²	160.7	78%	0.782	80%	0.799	S	S	*	*			trans	-78.2	134.3	174.2	-99.3	-73.7	0	0	0	110.7	V31 F35	V31-H33 PolarHBondContact O-N 2.9Å; H33-F35 PolarHBondContact O-N 3.06Å
34	P	59.9	Low	54.1	Low	89 Å²	89	161.1 Å²	161.1	58%	0.578	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	3.7	-163.1	-11.4	29.4	0	0	0	116.9
35	F	46.8	Very low	55.4	Low	189 Å²	189	161.6 Å²	161.6	83%	0.829	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	15.2	-164.2	-68.9	-72.7	0	0	0	116.4	H33	H33-F35 PolarHBondContact O-N 3.06Å
36	L	59	Low	57	Low	145 Å²	145	162.7 Å²	162.7	76%	0.759	79%	0.794	S	S	*	*			trans	-111	62.8	172.8	-66.4	177	0	0	0	111.2	Y38	L36-Y38 VanDerWaalsContact C-N 3.29Å; L36-Y38 HydrophobicContact CD2-CE2 4.26Å; L36-Y38 PolarHBondContact O-N 3.36Å
37	M	51.6	Low	58.3	Low	176 Å²	176	156 Å²	156	87%	0.867	78%	0.782	S	S	*	*			trans	-85	74.4	167.2	-65.3	-67.1	-177.5	0	0	108.9
38	Y	58.5	Low	59.3	Low	187 Å²	187	153.5 Å²	153.5	73%	0.733	78%	0.777	S	S	*	*			trans	-83.7	136.1	161.4	-83.4	-84.3	0	0	0	108.8	L36 M40	L36-Y38 VanDerWaalsContact C-N 3.29Å; L36-Y38 HydrophobicContact CD2-CE2 4.26Å; L36-Y38 PolarHBondContact O-N 3.36Å; Y38-M40 PolarHBondContact O-N 2.88Å; Y38-M40 VanDerWaalsContact O-N 3.11Å
39	P	59.4	Low	60	Low	121 Å²	121	147.8 Å²	147.8	79%	0.786	77%	0.769	S	S	*	*			trans	-64.2	115.5	-176.1	25	-32	0	0	0	109.8	T41	P39-T41 PolarHBondContact O-N 3.2Å
40	M	62.3	Low	60.7	Low	184 Å²	184	141.6 Å²	141.6	91%	0.906	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-69.5	119	176.3	-63	-168.8	177.5	0	0	108.8	Y38	Y38-M40 PolarHBondContact O-N 2.88Å; Y38-M40 VanDerWaalsContact O-N 3.11Å
41	T	71.6	Confident	61.2	Low	124 Å²	124	143.4 Å²	143.4	76%	0.761	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.5	133.2	165.1	47.6	0	0	0	0	108.6	P39	P39-T41 PolarHBondContact O-N 3.2Å
42	P	64.5	Low	61.7	Low	113 Å²	113	144.6 Å²	144.6	73%	0.734	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-59.1	139.7	-179.5	23.6	-31.8	0	0	0	109.9	V44	P42-V44 PolarHBondContact O-N 3.1Å
43	P	69.8	Low	61.6	Low	114 Å²	114	141.6 Å²	141.6	74%	0.74	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-62	127.8	178.6	25.2	-32	0	0	0	109.2	Y45	P43-Y45 PolarHBondContact O-N 3.27Å; P43-Y45 VanDerWaalsContact O-N 3.14Å
44	V	71	Confident	61.4	Low	127 Å²	127	138 Å²	138	77%	0.77	74%	0.743	S	S	*	*			trans	-62.5	114.6	166.6	-179.4	0	0	0	0	106.2	P42 D46	P42-V44 PolarHBondContact O-N 3.1Å; V44-D46 PolarHBondContact O-N 3.11Å; V44-D46 VanDerWaalsContact O-N 3.12Å
45	Y	72.1	Confident	60.8	Low	213 Å²	213	140.2 Å²	140.2	84%	0.835	75%	0.75	S	S	*	*			trans	-77.5	96.9	177.2	-138.8	-89.6	0	0	0	107.2	P43	P43-Y45 PolarHBondContact O-N 3.27Å; P43-Y45 VanDerWaalsContact O-N 3.14Å
46	D	75.3	Confident	60.7	Low	132 Å²	132	136.9 Å²	136.9	71%	0.706	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.2	168.9	-73.7	-34.6	0	0	0	108.2	V44	V44-D46 PolarHBondContact O-N 3.11Å; V44-D46 VanDerWaalsContact O-N 3.12Å
47	P	69.4	Low	60.3	Low	107 Å²	107	134.5 Å²	134.5	70%	0.695	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-59.3	144.4	174.4	24.7	-31.9	0	0	0	109.2
48	P	62.7	Low	60.3	Low	110 Å²	110	131.6 Å²	131.6	71%	0.714	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-57.1	139.1	178.6	24.4	-32.8	0	0	0	109.3
49	P	63.4	Low	59.6	Low	110 Å²	110	128.5 Å²	128.5	71%	0.714	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-54.7	145.7	175.1	22.3	-31.3	0	0	0	109.1	Y51	P49-Y51 PolarHBondContact O-N 3.31Å
50	P	63.6	Low	59.1	Low	104 Å²	104	124.8 Å²	124.8	68%	0.675	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-53.6	133.5	176	24.2	-32.1	0	0	0	107.5	I52	P50-I52 PolarHBondContact O-N 3.11Å
51	Y	58.6	Low	58.6	Low	205 Å²	205	120.4 Å²	120.4	80%	0.804	68%	0.68	S	S	*	*			trans	-39.6	105.6	172.8	34.2	-87.8	0	0	0	108.5	P49 V53	P49-Y51 PolarHBondContact O-N 3.31Å; Y51-V53 HydrophobicContact CD2-CG2 4.39Å; Y51-V53 PolarHBondContact O-N 2.75Å
52	I	54	Low	57.3	Low	151 Å²	151	120.5 Å²	120.5	77%	0.774	67%	0.671	S	S	*	*			trans	-63.8	101.3	164.7	-64.8	171.5	0	0	0	102.8	P50 P54	P50-I52 PolarHBondContact O-N 3.11Å; I52-P54 WeakPolarHBondContact O-CD 3.42Å
53	V	48.3	Very low	56.6	Low	104 Å²	104	121 Å²	121	63%	0.63	66%	0.664	S	S	*	*			trans	-52.2	117.9	166.4	-169.4	0	0	0	0	103.6	Y51 L55	Y51-V53 HydrophobicContact CD2-CG2 4.39Å; Y51-V53 PolarHBondContact O-N 2.75Å; V53-L55 PolarHBondContact O-N 3.16Å
54	P	47	Very low	55.9	Low	92 Å²	92	118 Å²	118	60%	0.597	64%	0.64	S	S	*	*			trans	-56.4	127.8	177.5	16.9	-20.1	0	0	0	104.8	I52 V56	I52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-V56 HydrophobicContact CB-CG2 3.91Å; P54-V56 HydrophobicContact CG-CG2 4.13Å; P54-V56 PolarHBondContact O-N 3.15Å
55	L	48.3	Very low	55.6	Low	137 Å²	137	112.1 Å²	112.1	72%	0.717	61%	0.605	S	S	*	*			trans	-66.7	64.6	171.9	-68.6	169.8	0	0	0	107.4	V53 H57	V53-L55 PolarHBondContact O-N 3.16Å; L55-H57 VanDerWaalsContact CD2-CE1 3.47Å; L55-H57 WeakPolarHBondContact CD2-CE1 3.42Å; L55-H57 WeakPolarHBondContact CD2-NE2 3.49Å; L55-H57 PolarHBondContact O-N 2.9Å
56	V	44.3	Very low	55.2	Low	118 Å²	118	107.5 Å²	107.5	72%	0.715	59%	0.592	S	S	*	*			trans	-75.5	72.5	161	-168.3	0	0	0	0	103.9	P54	P54-V56 HydrophobicContact CB-CG2 3.91Å; P54-V56 HydrophobicContact CG-CG2 4.13Å; P54-V56 PolarHBondContact O-N 3.15Å
57	H	51.1	Low	55	Low	95 Å²	95	102.8 Å²	102.8	44%	0.44	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-60.2	140	165.5	-66.7	-55.7	0	0	0	107.2	L55 I59	L55-H57 VanDerWaalsContact CD2-CE1 3.47Å; L55-H57 WeakPolarHBondContact CD2-CE1 3.42Å; L55-H57 WeakPolarHBondContact CD2-NE2 3.49Å; L55-H57 PolarHBondContact O-N 2.9Å; H57-I59 PolarHBondContact O-N 2.85Å; H57-I59 VanDerWaalsContact O-N 3.08Å
58	P	50.3	Low	55.6	Low	115 Å²	115	102.3 Å²	102.3	75%	0.747	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-49.1	125.6	-178.6	17	-28.8	0	0	0	108.5	P60	P58-P60 VanDerWaalsContact O-CD 3.27Å; P58-P60 WeakPolarHBondContact O-CD 3.24Å
59	I	44.9	Very low	56.6	Low	122 Å²	122	108.3 Å²	108.3	63%	0.626	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-47.5	116.4	171.5	-62	166.8	0	0	0	105.1	H57	H57-I59 PolarHBondContact O-N 2.85Å; H57-I59 VanDerWaalsContact O-N 3.08Å
60	P	48.3	Very low	57.8	Low	43 Å²	43	105.6 Å²	105.6	28%	0.279	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-51.4	138.4	173.7	-23	32.3	0	0	0	107.2	P58 H62 M64	P58-P60 VanDerWaalsContact O-CD 3.27Å; P58-P60 WeakPolarHBondContact O-CD 3.24Å; P60-H62 PolarHBondContact O-N 3.27Å; P60-M64 HydrophobicContact CB-CB 4.17Å; P60-M64 HydrophobicContact CB-SD 4.33Å
61	P	51.1	Low	59.1	Low	92 Å²	92	100.7 Å²	100.7	60%	0.597	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-46.2	133.2	-173.8	17.6	-30	0	0	0	108.9	H63 M64	P61-H63 PolarHBondContact O-N 3.36Å; P61-M64 HydrophobicContact CG-SD 4.11Å; P61-M64 PolarHBondContact O-N 3.05Å
62	H	45.2	Very low	60.5	Low	126 Å²	126	94.9 Å²	94.9	58%	0.583	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-2.3	-163.1	-86.4	-104.1	0	0	0	118.4	P60 M66	P60-H62 PolarHBondContact O-N 3.27Å; H62-M66 HydrophobicContact CB-CE 4.3Å; H62-M66 WeakPolarHBondContact ND1-CE 3.4Å
63	H	49.8	Very low	62.3	Low	124 Å²	124	89.3 Å²	89.3	57%	0.574	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-9.1	-178.7	-57.8	-78.5	0	0	0	115	P61 C65	P61-H63 PolarHBondContact O-N 3.36Å; H63-C65 VanDerWaalsContact C-N 3.34Å; H63-C65 PolarHBondContact O-N 3.34Å; H63-C65 VanDerWaalsContact O-N 3.07Å
64	M	56	Low	64.3	Low	51 Å²	51	87.9 Å²	87.9	25%	0.251	47%	0.473	S	S	.	.	S	Bend	trans	-85.5	81.2	174.7	-58.6	-179.5	87.6	0	0	109	P60 P61 L130	P60-M64 HydrophobicContact CB-CB 4.17Å; P60-M64 HydrophobicContact CB-SD 4.33Å; P61-M64 HydrophobicContact CG-SD 4.11Å; P61-M64 PolarHBondContact O-N 3.05Å; M64-L130 HydrophobicContact CE-CD2 4.42Å
65	C	64.3	Low	66.4	Low	4 Å²	4	85 Å²	85	3%	0.027	45%	0.454	C	S	.	.			trans	53.7	74.7	171.1	-38.6	0	0	0	0	114.3	H63 P67 W89 C125	H63-C65 VanDerWaalsContact C-N 3.34Å; H63-C65 PolarHBondContact O-N 3.34Å; H63-C65 VanDerWaalsContact O-N 3.07Å; C65-P67 WeakPolarHBondContact O-CD 3.44Å; C65-W89 HydrophobicContact CB-CH2 4.1Å; C65-W89 HydrophobicContact CB-CZ2 3.73Å; C65-C125 WeakPolarHBondContact CA-SG 3.39Å; C65-C125 HydrophobicContact CB-CB 3.46Å; C65-C125 VanDerWaalsContact CB-CB 3.46Å; C65-C125 WeakPolarHBondContact CB-SG 3.25Å; C65-C125 PolarHBondContact N-SG 3.4Å; C65-C125 WeakPolarHBondContact SG-CB 3.41Å; C65-C125 CovalentContact SG-SG 2.01Å; C65-C125 PolarHBondContact SG-SG 3.48Å
66	M	63.8	Low	68.4	Low	115 Å²	115	79.3 Å²	79.3	57%	0.567	43%	0.425	S	S	*	.			trans	-59.5	111.5	168.1	-82.8	-161	163.9	0	0	109.2	H62	H62-M66 HydrophobicContact CB-CE 4.3Å; H62-M66 WeakPolarHBondContact ND1-CE 3.4Å
67	P	70.8	Confident	70.5	Confident	34 Å²	34	79.8 Å²	79.8	22%	0.221	42%	0.422	C	S	.	.			trans	-77	157	-178.7	30.9	-27.9	0	0	0	109.7	C65 C71 T72 W89 P91 C121	C65-P67 WeakPolarHBondContact O-CD 3.44Å; P67-C71 HydrophobicContact CB-CB 3.88Å; P67-T72 HydrophobicContact CG-CG2 3.84Å; P67-W89 HydrophobicContact CB-CG 4.4Å; P67-W89 VanDerWaalsContact CB-NE1 3.33Å; P67-P91 HydrophobicContact CG-CB 4.19Å; P67-C121 WeakPolarHBondContact CA-O 3.09Å; P67-C121 WeakPolarHBondContact CB-O 3.3Å
68	K	82	Confident	72.2	Confident	97 Å²	97	80.9 Å²	80.9	42%	0.422	43%	0.427	S	S	.	.			trans	-57.8	152.4	169.1	-63.7	-177.9	-174.4	167.3	0	109.6	D70 C71 H120	K68-D70 WeakPolarHBondContact CB-OD1 3.48Å; K68-D70 PolarHBondContact O-N 2.95Å; K68-D70 VanDerWaalsContact O-N 3.11Å; K68-C71 WeakPolarHBondContact O-CA 3.18Å; K68-C71 VanDerWaalsContact O-CB 3.3Å; K68-C71 WeakPolarHBondContact O-CB 3.37Å; K68-C71 PolarHBondContact O-N 3.4Å; K68-H120 WeakPolarHBondContact CD-O 3.37Å; K68-H120 WeakPolarHBondContact CE-O 3.32Å; K68-H120 PolarHBondContact NZ-CE1 2.01Å; K68-H120 VanDerWaalsContact NZ-CE1 3.33Å; K68-H120 PolarHBondContact NZ-ND1 2.02Å; K68-H120 PolarHBondContact NZ-O 3.31Å
69	R	83	Confident	73.9	Confident	236 Å²	236	82.2 Å²	82.2	89%	0.891	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-56.5	-29.6	-178.3	-79	-168.4	-73.9	-176.3	-4.7	113.8	C71 T72	R69-C71 VanDerWaalsContact C-N 3.28Å; R69-T72 PolarHBondContact O-OG1 2.88Å
70	D	88.4	Confident	76.2	Confident	53 Å²	53	79.4 Å²	79.4	28%	0.283	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-81.4	-9.3	178.7	62	-27.1	0	0	0	113.5	K68 N109 H120	K68-D70 WeakPolarHBondContact CB-OD1 3.48Å; K68-D70 PolarHBondContact O-N 2.95Å; K68-D70 VanDerWaalsContact O-N 3.11Å; D70-N109 WeakPolarHBondContact O-CB 3.23Å; D70-N109 PolarHBondContact O-N 2.85Å; D70-H120 IonicContact OD1-NE2 3.54Å; D70-H120 PolarHBondContact OD1-NE2 3.49Å; D70-H120 IonicContact OD2-CD2 3.95Å; D70-H120 IonicContact OD2-CE1 2.6Å; D70-H120 IonicContact OD2-NE2 3.01Å; D70-H120 PolarHBondContact OD2-NE2 3.46Å
71	C	90.8	Very high	78.2	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-97.3	3.1	176.3	-61.2	0	0	0	0	113.5	P67 K68 R69 W89 N109 H120 C121	P67-C71 HydrophobicContact CB-CB 3.88Å; K68-C71 WeakPolarHBondContact O-CA 3.18Å; K68-C71 VanDerWaalsContact O-CB 3.3Å; K68-C71 WeakPolarHBondContact O-CB 3.37Å; K68-C71 PolarHBondContact O-N 3.4Å; R69-C71 VanDerWaalsContact C-N 3.28Å; C71-W89 HydrophobicContact CB-CB 4.04Å; C71-W89 HydrophobicContact CB-CG 4.23Å; C71-N109 PolarHBondContact O-ND2 3.28Å; C71-H120 VanDerWaalsContact SG-CD2 3.51Å; C71-C121 HydrophobicContact CB-CB 3.46Å; C71-C121 VanDerWaalsContact CB-CB 3.46Å; C71-C121 WeakPolarHBondContact CB-SG 3.39Å; C71-C121 WeakPolarHBondContact SG-CA 3.37Å; C71-C121 WeakPolarHBondContact SG-CB 3.41Å; C71-C121 CovalentContact SG-SG 2.02Å; C71-C121 PolarHBondContact SG-SG 2.95Å
72	T	88.8	Confident	80.2	Confident	84 Å²	84	81.1 Å²	81.1	52%	0.515	43%	0.429	S	S	.	.	S	Bend	trans	-94.9	-7.7	176.1	59.9	0	0	0	0	113	P67 R69	P67-T72 HydrophobicContact CG-CG2 3.84Å; R69-T72 PolarHBondContact O-OG1 2.88Å
73	A	91	Very high	82.5	Confident	33 Å²	33	79.7 Å²	79.7	27%	0.273	43%	0.433	S	S	.	.	S	Bend	trans	-67	144.1	178.7	0	0	0	0	0	111	N107 N109	A73-N107 HydrophobicContact CB-CB 3.95Å; A73-N109 HydrophobicContact CB-CB 4.12Å; A73-N109 PolarHBondContact O-ND2 3.08Å
74	A	91	Very high	84.7	Confident	74 Å²	74	76 Å²	76	61%	0.612	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-63.1	150.8	170.6	0	0	0	0	0	110.8	D76 N107	A74-D76 PolarHBondContact O-N 3.49Å; A74-N107 PolarHBondContact O-ND2 3Å
75	P	91.8	Very high	86.5	Confident	31 Å²	31	76.4 Å²	76.4	20%	0.201	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-60.5	136.8	172.8	25.5	-32.5	0	0	0	110	I77 F88 F99	P75-I77 HydrophobicContact CG-CD1 4.4Å; P75-I77 PolarHBondContact O-N 3.38Å; P75-F88 HydrophobicContact CB-CB 4.22Å; P75-F88 HydrophobicContact CB-CD1 3.8Å; P75-F88 HydrophobicContact CB-CD2 4.12Å; P75-F88 HydrophobicContact CB-CE1 4.17Å; P75-F88 HydrophobicContact CB-CE2 4.48Å; P75-F88 HydrophobicContact CB-CG 3.77Å; P75-F88 HydrophobicContact CG-CD1 4.06Å; P75-F88 HydrophobicContact CG-CD2 4.02Å; P75-F88 HydrophobicContact CG-CE1 3.94Å; P75-F88 HydrophobicContact CG-CE2 3.91Å; P75-F88 HydrophobicContact CG-CG 4.1Å; P75-F88 HydrophobicContact CG-CZ 3.87Å; P75-F99 HydrophobicContact CB-CB 4.24Å; P75-F99 HydrophobicContact CB-CD1 4.24Å; P75-F99 HydrophobicContact CB-CD2 3.68Å; P75-F99 HydrophobicContact CB-CE2 4Å; P75-F99 HydrophobicContact CB-CG 3.8Å; P75-F99 HydrophobicContact CB-CZ 4.4Å
76	D	89.3	Confident	88	Confident	19 Å²	19	79.2 Å²	79.2	10%	0.102	44%	0.438	C	S	.	.			trans	-82.8	104.3	178	-162.1	-12.6	0	0	0	110.1	A74 Q78 F99	A74-D76 PolarHBondContact O-N 3.49Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.49Å; D76-Q78 VanDerWaalsContact OD1-CG 3.23Å; D76-Q78 WeakPolarHBondContact OD1-CG 3.41Å; D76-Q78 PolarHBondContact OD1-N 3.22Å; D76-F99 WeakPolarHBondContact O-CE2 3.43Å
77	I	88.4	Confident	89.5	Confident	128 Å²	128	76.4 Å²	76.4	66%	0.656	42%	0.422	S	S	*	.			trans	-99.7	16.1	-175.9	-49.2	162.7	0	0	0	110.5	P75 E79	P75-I77 HydrophobicContact CG-CD1 4.4Å; P75-I77 PolarHBondContact O-N 3.38Å; I77-E79 PolarHBondContact O-N 2.93Å
78	Q	86.6	Confident	90.6	Very high	117 Å²	117	75.8 Å²	75.8	55%	0.547	42%	0.415	S	S	.	.			trans	-63.5	135.4	177.9	-73.1	-177.7	-8.8	0	0	111.9	D76 C80 G102	D76-Q78 WeakPolarHBondContact OD1-CB 3.49Å; D76-Q78 VanDerWaalsContact OD1-CG 3.23Å; D76-Q78 WeakPolarHBondContact OD1-CG 3.41Å; D76-Q78 PolarHBondContact OD1-N 3.22Å; Q78-C80 PolarHBondContact O-N 2.75Å; Q78-G102 VanDerWaalsContact O-CA 3.26Å; Q78-G102 WeakPolarHBondContact O-CA 2.99Å
79	E	87.2	Confident	91.1	Very high	143 Å²	143	71.2 Å²	71.2	67%	0.668	40%	0.396	S	S	*	.			trans	-82.5	110.4	176.4	-176.2	56.8	-121.6	0	0	110	I77 G81	I77-E79 PolarHBondContact O-N 2.93Å; E79-G81 WeakPolarHBondContact OE1-CA 3.49Å; E79-G81 PolarHBondContact OE1-N 2.81Å
80	C	92.7	Very high	91.4	Very high	63 Å²	63	61.3 Å²	61.3	43%	0.426	36%	0.36	S	S	.	.	S	Bend	trans	-122.1	19.6	179.8	-81.2	0	0	0	0	112.7	Q78 G102 C104	Q78-C80 PolarHBondContact O-N 2.75Å; C80-G102 CarbonylContact C-O 3.6Å; C80-G102 VanDerWaalsContact C-O 3.25Å; C80-G102 WeakPolarHBondContact CA-O 3.36Å; C80-G102 WeakPolarHBondContact CB-O 3.24Å; C80-G102 PolarHBondContact N-O 3.45Å; C80-C104 HydrophobicContact CB-CB 3.63Å; C80-C104 WeakPolarHBondContact CB-SG 3.35Å; C80-C104 WeakPolarHBondContact SG-CB 3.36Å; C80-C104 CovalentContact SG-SG 2.01Å; C80-C104 PolarHBondContact SG-SG 3.42Å
81	G	91.4	Very high	91.1	Very high	69 Å²	69	61.1 Å²	61.1	71%	0.711	36%	0.362	S	S	*	.	S	Bend	trans	85.5	9	174.1	0	0	0	0	0	114.4	E79	E79-G81 WeakPolarHBondContact OE1-CA 3.49Å; E79-G81 PolarHBondContact OE1-N 2.81Å
82	Q	92.7	Very high	90.6	Very high	102 Å²	102	65.1 Å²	65.1	48%	0.477	39%	0.386	S	S	.	.			trans	-120.6	158.4	167.7	-51.4	-168.4	-52.1	0	0	109.9	I84 G102	Q82-I84 HydrophobicContact CB-CD1 3.99Å; Q82-I84 HydrophobicContact CB-CG1 4.04Å; Q82-I84 VanDerWaalsContact OE1-CD1 3.31Å; Q82-G102 WeakPolarHBondContact CB-O 3.47Å; Q82-G102 PolarHBondContact N-O 3.4Å; Q82-G102 CarbonylContact O-C 3.56Å; Q82-G102 VanDerWaalsContact O-CA 3.24Å; Q82-G102 WeakPolarHBondContact O-CA 3.32Å
83	S	93.6	Very high	90.3	Very high	96 Å²	96	63.9 Å²	63.9	67%	0.671	38%	0.379	S	S	*	.			trans	-132.3	95.5	171.2	-56.1	0	0	0	0	108.2
84	I	94.6	Very high	89.8	Confident	48 Å²	48	62.8 Å²	62.8	25%	0.246	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.4	-171.7	-53.5	170.3	0	0	0	108.9	Q82 R86 Y101	Q82-I84 HydrophobicContact CB-CD1 3.99Å; Q82-I84 HydrophobicContact CB-CG1 4.04Å; Q82-I84 VanDerWaalsContact OE1-CD1 3.31Å; I84-R86 HydrophobicContact CG2-CG 4.12Å; I84-R86 VanDerWaalsContact CG2-NE 3.3Å; I84-R86 PolarHBondContact O-N 3.48Å; I84-Y101 HydrophobicContact CB-CD1 4.19Å; I84-Y101 HydrophobicContact CD1-CD1 4.09Å; I84-Y101 HydrophobicContact CD1-CE1 4.38Å; I84-Y101 PolarHBondContact N-O 3.21Å; I84-Y101 WeakPolarHBondContact O-CB 3Å; I84-Y101 PolarHBondContact O-N 2.84Å
85	A	95.3	Very high	89.6	Confident	58 Å²	58	61.8 Å²	61.8	48%	0.479	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.7	171.8	0	0	0	0	0	110	L98	A85-L98 HydrophobicContact CB-CD1 4.24Å
86	R	95.2	Very high	89.5	Confident	63 Å²	63	60.6 Å²	60.6	24%	0.238	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	168.5	179.3	-65.9	-64.6	179.3	87.6	0.2	110.1	I84 L98 F99 Y101 N110 F111	I84-R86 HydrophobicContact CG2-CG 4.12Å; I84-R86 VanDerWaalsContact CG2-NE 3.3Å; I84-R86 PolarHBondContact O-N 3.48Å; R86-L98 CarbonylContact O-C 3.25Å; R86-L98 WeakPolarHBondContact O-CA 3.35Å; R86-F99 HydrophobicContact CB-CD1 3.98Å; R86-F99 HydrophobicContact CB-CE1 3.41Å; R86-F99 VanDerWaalsContact CB-CE1 3.41Å; R86-F99 HydrophobicContact CB-CZ 3.76Å; R86-F99 PolarHBondContact N-O 2.81Å; R86-F99 WeakPolarHBondContact O-CD1 2.99Å; R86-F99 PolarHBondContact O-N 2.83Å; R86-Y101 VanDerWaalsContact CG-CB 3.49Å; R86-Y101 HydrophobicContact CG-CD1 4Å; R86-Y101 HydrophobicContact CG-CG 4.02Å; R86-N110 WeakPolarHBondContact CB-OD1 2.99Å; R86-N110 WeakPolarHBondContact CD-OD1 3.04Å; R86-N110 VanDerWaalsContact CG-OD1 3.24Å; R86-N110 WeakPolarHBondContact CG-OD1 3.18Å; R86-N110 PolarHBondContact NH1-OD1 3.08Å; R86-F111 WeakPolarHBondContact CA-O 3.13Å; R86-F111 WeakPolarHBondContact CD-O 3.41Å
87	W	95.3	Very high	89.7	Confident	57 Å²	57	62.6 Å²	62.6	22%	0.216	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.3	179.1	-63.3	81.5	0	0	0	110.2	C96 E97 L98 F111 T113 E114 C117	W87-C96 HydrophobicContact CE3-CB 4.08Å; W87-C96 WeakPolarHBondContact CZ3-O 3.33Å; W87-E97 CarbonylContact C-O 3.49Å; W87-E97 VanDerWaalsContact CA-O 3.3Å; W87-E97 WeakPolarHBondContact CA-O 3.41Å; W87-L98 HydrophobicContact CE3-CB 4.41Å; W87-L98 HydrophobicContact CH2-CB 4.42Å; W87-L98 HydrophobicContact CZ2-CB 4.48Å; W87-L98 HydrophobicContact CZ2-CD1 4.17Å; W87-L98 HydrophobicContact CZ3-CB 4.38Å; W87-F111 HydrophobicContact CB-CB 4.39Å; W87-F111 PolarHBondContact N-O 2.67Å; W87-F111 WeakPolarHBondContact O-CD2 3.5Å; W87-F111 PolarHBondContact O-N 3.25Å; W87-T113 VanDerWaalsContact CD1-C 3.44Å; W87-E114 HydrophobicContact CD2-CB 3.76Å; W87-E114 HydrophobicContact CD2-CG 4.3Å; W87-E114 HydrophobicContact CE3-CB 3.87Å; W87-E114 HydrophobicContact CE3-CG 3.88Å; W87-E114 HydrophobicContact CG-CB 4.36Å; W87-E114 HydrophobicContact CH2-CB 4.01Å; W87-E114 HydrophobicContact CH2-CG 4.14Å; W87-E114 HydrophobicContact CZ2-CB 3.93Å; W87-E114 HydrophobicContact CZ3-CB 3.98Å; W87-E114 HydrophobicContact CZ3-CG 3.78Å; W87-C117 HydrophobicContact CB-CB 4.09Å
88	F	94	Very high	90	Very high	20 Å²	20	61.2 Å²	61.2	9%	0.088	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.6	171.9	79	-77.9	0	0	0	109.7	P75 N90 C96 E97 F99 N109	P75-F88 HydrophobicContact CB-CB 4.22Å; P75-F88 HydrophobicContact CB-CD1 3.8Å; P75-F88 HydrophobicContact CB-CD2 4.12Å; P75-F88 HydrophobicContact CB-CE1 4.17Å; P75-F88 HydrophobicContact CB-CE2 4.48Å; P75-F88 HydrophobicContact CB-CG 3.77Å; P75-F88 HydrophobicContact CG-CD1 4.06Å; P75-F88 HydrophobicContact CG-CD2 4.02Å; P75-F88 HydrophobicContact CG-CE1 3.94Å; P75-F88 HydrophobicContact CG-CE2 3.91Å; P75-F88 HydrophobicContact CG-CG 4.1Å; P75-F88 HydrophobicContact CG-CZ 3.87Å; F88-N90 HydrophobicContact CE2-CB 3.8Å; F88-N90 HydrophobicContact CZ-CB 4.16Å; F88-N90 PolarHBondContact O-N 2.82Å; F88-C96 CarbonylContact O-C 3.55Å; F88-C96 VanDerWaalsContact O-CA 3.26Å; F88-C96 WeakPolarHBondContact O-CA 3.13Å; F88-E97 HydrophobicContact CD1-CB 4.17Å; F88-E97 VanDerWaalsContact CD1-O 3.24Å; F88-E97 WeakPolarHBondContact CD1-O 3.01Å; F88-E97 HydrophobicContact CE1-CB 3.54Å; F88-E97 HydrophobicContact CZ-CB 3.92Å; F88-E97 PolarHBondContact N-O 2.82Å; F88-E97 PolarHBondContact O-N 2.86Å; F88-F99 HydrophobicContact CB-CD1 4.03Å; F88-F99 HydrophobicContact CB-CE1 3.89Å; F88-F99 HydrophobicContact CD1-CB 4.11Å; F88-F99 AromaticContact CD1-CD1 3.69Å; F88-F99 HydrophobicContact CD1-CD1 3.69Å; F88-F99 HydrophobicContact CD1-CE1 4.41Å; F88-F99 HydrophobicContact CD1-CG 4.12Å; F88-F99 HydrophobicContact CE1-CB 4.34Å; F88-F99 HydrophobicContact CG-CD1 4.29Å; F88-N109 WeakPolarHBondContact CB-O 3.16Å
89	W	91.3	Very high	90.4	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.3	171.9	-179.4	-94.4	0	0	0	110.2	C65 P67 C71 P91 S94 N109 L118 C121 A122	C65-W89 HydrophobicContact CB-CH2 4.1Å; C65-W89 HydrophobicContact CB-CZ2 3.73Å; P67-W89 HydrophobicContact CB-CG 4.4Å; P67-W89 VanDerWaalsContact CB-NE1 3.33Å; C71-W89 HydrophobicContact CB-CB 4.04Å; C71-W89 HydrophobicContact CB-CG 4.23Å; W89-P91 WeakPolarHBondContact O-CD 3.49Å; W89-S94 VanDerWaalsContact CH2-C 3.4Å; W89-S94 WeakPolarHBondContact CH2-O 3.26Å; W89-N109 WeakPolarHBondContact CB-OD1 3.27Å; W89-N109 PolarHBondContact N-OD1 2.86Å; W89-N109 PolarHBondContact O-ND2 3.05Å; W89-L118 HydrophobicContact CZ3-CD2 4.1Å; W89-C121 HydrophobicContact CB-CB 3.42Å; W89-C121 VanDerWaalsContact CB-CB 3.42Å; W89-C121 HydrophobicContact CD2-CB 3.67Å; W89-C121 HydrophobicContact CE3-CB 3.82Å; W89-C121 HydrophobicContact CG-CB 3.51Å; W89-A122 HydrophobicContact CE3-CB 4.38Å; W89-A122 VanDerWaalsContact CH2-CA 3.49Å; W89-A122 HydrophobicContact CH2-CB 3.66Å; W89-A122 HydrophobicContact CZ3-CB 3.53Å
90	N	89.6	Confident	90.7	Very high	27 Å²	27	54 Å²	54	14%	0.144	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.1	170.5	-176.9	-22.2	0	0	0	108.8	F88 V92 T93 S94 K95 E97	F88-N90 HydrophobicContact CE2-CB 3.8Å; F88-N90 HydrophobicContact CZ-CB 4.16Å; F88-N90 PolarHBondContact O-N 2.82Å; N90-V92 PolarHBondContact O-N 2.59Å; N90-V92 WeakPolarHBondContact OD1-CA 3.27Å; N90-V92 VanDerWaalsContact OD1-CB 3.28Å; N90-V92 WeakPolarHBondContact OD1-CB 3.27Å; N90-V92 PolarHBondContact OD1-N 2.8Å; N90-T93 VanDerWaalsContact CB-OG1 3.29Å; N90-T93 WeakPolarHBondContact CB-OG1 3.38Å; N90-T93 VanDerWaalsContact CG-OG1 3.24Å; N90-T93 PolarHBondContact ND2-OG1 3.35Å; N90-T93 PolarHBondContact O-N 2.82Å; N90-T93 PolarHBondContact OD1-N 2.03Å; N90-S94 VanDerWaalsContact O-CA 3.29Å; N90-S94 WeakPolarHBondContact O-CA 3.35Å; N90-S94 PolarHBondContact O-N 2.78Å; N90-K95 PolarHBondContact N-O 2.87Å; N90-K95 PolarHBondContact O-N 3.33Å; N90-E97 HydrophobicContact CB-CG 4.33Å; N90-E97 VanDerWaalsContact ND2-CD 3.28Å; N90-E97 PolarHBondContact ND2-OE1 2.04Å; N90-E97 VanDerWaalsContact ND2-OE1 3.11Å; N90-E97 PolarHBondContact ND2-OE2 2.81Å
91	P	82.5	Confident	90.7	Very high	49 Å²	49	51.9 Å²	51.9	32%	0.318	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.7	-179.6	29.1	-36	0	0	0	113.2	P67 W89	P67-P91 HydrophobicContact CG-CB 4.19Å; W89-P91 WeakPolarHBondContact O-CD 3.49Å
92	V	79.5	Confident	90.8	Very high	85 Å²	85	48.8 Å²	48.8	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-47.8	179.3	-177.3	0	0	0	0	110.3	N90	N90-V92 PolarHBondContact O-N 2.59Å; N90-V92 WeakPolarHBondContact OD1-CA 3.27Å; N90-V92 VanDerWaalsContact OD1-CB 3.28Å; N90-V92 WeakPolarHBondContact OD1-CB 3.27Å; N90-V92 PolarHBondContact OD1-N 2.8Å
93	T	82.3	Confident	90.7	Very high	58 Å²	58	45.1 Å²	45.1	36%	0.356	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-12.6	178.6	59.9	0	0	0	0	112.7	N90 K95 E97	N90-T93 VanDerWaalsContact CB-OG1 3.29Å; N90-T93 WeakPolarHBondContact CB-OG1 3.38Å; N90-T93 VanDerWaalsContact CG-OG1 3.24Å; N90-T93 PolarHBondContact ND2-OG1 3.35Å; N90-T93 PolarHBondContact O-N 2.82Å; N90-T93 PolarHBondContact OD1-N 2.03Å; T93-K95 PolarHBondContact O-N 3.39Å; T93-E97 WeakPolarHBondContact CB-OE1 3.27Å; T93-E97 VanDerWaalsContact CG2-OE1 3.31Å; T93-E97 WeakPolarHBondContact CG2-OE1 3.39Å; T93-E97 PolarHBondContact OG1-OE1 3.25Å
94	S	81.7	Confident	90.4	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.07	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	38.7	-169	-62.7	0	0	0	0	112.4	W89 N90	W89-S94 VanDerWaalsContact CH2-C 3.4Å; W89-S94 WeakPolarHBondContact CH2-O 3.26Å; N90-S94 VanDerWaalsContact O-CA 3.29Å; N90-S94 WeakPolarHBondContact O-CA 3.35Å; N90-S94 PolarHBondContact O-N 2.78Å
95	K	86.3	Confident	89.7	Confident	52 Å²	52	42.3 Å²	42.3	23%	0.226	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	156.6	-178.9	-64.9	-175.3	-179	-162.5	0	111.4	N90 T93 E97 D133 G162	N90-K95 PolarHBondContact N-O 2.87Å; N90-K95 PolarHBondContact O-N 3.33Å; T93-K95 PolarHBondContact O-N 3.39Å; K95-E97 HydrophobicContact CB-CG 4.3Å; K95-D133 WeakPolarHBondContact CE-OD2 3.39Å; K95-D133 VanDerWaalsContact NZ-CG 3.25Å; K95-D133 IonicContact NZ-OD1 2.7Å; K95-D133 PolarHBondContact NZ-OD1 2.76Å; K95-D133 IonicContact NZ-OD2 3.48Å; K95-D133 PolarHBondContact NZ-OD2 3.19Å; K95-G162 PolarHBondContact NZ-O 3.37Å
96	C	90.3	Very high	88.8	Confident	7 Å²	7	45.9 Å²	45.9	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.9	158.9	-67.3	0	0	0	0	108.4	W87 F88 E114 C117 L118	W87-C96 HydrophobicContact CE3-CB 4.08Å; W87-C96 WeakPolarHBondContact CZ3-O 3.33Å; F88-C96 CarbonylContact O-C 3.55Å; F88-C96 VanDerWaalsContact O-CA 3.26Å; F88-C96 WeakPolarHBondContact O-CA 3.13Å; C96-E114 HydrophobicContact CB-CG 4.08Å; C96-C117 HydrophobicContact CB-CB 3.73Å; C96-C117 WeakPolarHBondContact CB-SG 3.38Å; C96-C117 WeakPolarHBondContact SG-CB 3.37Å; C96-C117 CovalentContact SG-SG 2.03Å; C96-C117 PolarHBondContact SG-SG 3.47Å; C96-L118 HydrophobicContact CB-CD2 4.37Å; C96-L118 HydrophobicContact CB-CG 4.38Å; C96-L118 PolarHBondContact SG-N 2.83Å
97	E	93.2	Very high	88.4	Confident	60 Å²	60	45.1 Å²	45.1	28%	0.28	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.4	-179.1	-73.1	172.8	-168.8	0	0	110.3	W87 F88 N90 T93 K95	W87-E97 CarbonylContact C-O 3.49Å; W87-E97 VanDerWaalsContact CA-O 3.3Å; W87-E97 WeakPolarHBondContact CA-O 3.41Å; F88-E97 HydrophobicContact CD1-CB 4.17Å; F88-E97 VanDerWaalsContact CD1-O 3.24Å; F88-E97 WeakPolarHBondContact CD1-O 3.01Å; F88-E97 HydrophobicContact CE1-CB 3.54Å; F88-E97 HydrophobicContact CZ-CB 3.92Å; F88-E97 PolarHBondContact N-O 2.82Å; F88-E97 PolarHBondContact O-N 2.86Å; N90-E97 HydrophobicContact CB-CG 4.33Å; N90-E97 VanDerWaalsContact ND2-CD 3.28Å; N90-E97 PolarHBondContact ND2-OE1 2.04Å; N90-E97 VanDerWaalsContact ND2-OE1 3.11Å; N90-E97 PolarHBondContact ND2-OE2 2.81Å; T93-E97 WeakPolarHBondContact CB-OE1 3.27Å; T93-E97 VanDerWaalsContact CG2-OE1 3.31Å; T93-E97 WeakPolarHBondContact CG2-OE1 3.39Å; T93-E97 PolarHBondContact OG1-OE1 3.25Å; K95-E97 HydrophobicContact CB-CG 4.3Å
98	L	95.1	Very high	88.2	Confident	100 Å²	100	45.9 Å²	45.9	52%	0.524	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.6	179	-176.9	141.8	0	0	0	110.4	A85 R86 W87 I100	A85-L98 HydrophobicContact CB-CD1 4.24Å; R86-L98 CarbonylContact O-C 3.25Å; R86-L98 WeakPolarHBondContact O-CA 3.35Å; W87-L98 HydrophobicContact CE3-CB 4.41Å; W87-L98 HydrophobicContact CH2-CB 4.42Å; W87-L98 HydrophobicContact CZ2-CB 4.48Å; W87-L98 HydrophobicContact CZ2-CD1 4.17Å; W87-L98 HydrophobicContact CZ3-CB 4.38Å; L98-I100 HydrophobicContact CD2-CD1 4.49Å
99	F	94.2	Very high	88.2	Confident	15 Å²	15	45 Å²	45	7%	0.066	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.9	172.2	77.8	-71.8	0	0	0	110.9	P75 D76 R86 F88 Y101 N110	P75-F99 HydrophobicContact CB-CB 4.24Å; P75-F99 HydrophobicContact CB-CD1 4.24Å; P75-F99 HydrophobicContact CB-CD2 3.68Å; P75-F99 HydrophobicContact CB-CE2 4Å; P75-F99 HydrophobicContact CB-CG 3.8Å; P75-F99 HydrophobicContact CB-CZ 4.4Å; D76-F99 WeakPolarHBondContact O-CE2 3.43Å; R86-F99 HydrophobicContact CB-CD1 3.98Å; R86-F99 HydrophobicContact CB-CE1 3.41Å; R86-F99 VanDerWaalsContact CB-CE1 3.41Å; R86-F99 HydrophobicContact CB-CZ 3.76Å; R86-F99 PolarHBondContact N-O 2.81Å; R86-F99 WeakPolarHBondContact O-CD1 2.99Å; R86-F99 PolarHBondContact O-N 2.83Å; F88-F99 HydrophobicContact CB-CD1 4.03Å; F88-F99 HydrophobicContact CB-CE1 3.89Å; F88-F99 HydrophobicContact CD1-CB 4.11Å; F88-F99 AromaticContact CD1-CD1 3.69Å; F88-F99 HydrophobicContact CD1-CD1 3.69Å; F88-F99 HydrophobicContact CD1-CE1 4.41Å; F88-F99 HydrophobicContact CD1-CG 4.12Å; F88-F99 HydrophobicContact CE1-CB 4.34Å; F88-F99 HydrophobicContact CG-CD1 4.29Å; F99-Y101 HydrophobicContact CE2-CD2 4.36Å; F99-N110 HydrophobicContact CZ-CB 4.13Å
100	I	93.9	Very high	88.3	Confident	93 Å²	93	46 Å²	46	48%	0.477	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.1	176.3	-54.2	-56.2	0	0	0	108.6	L98	L98-I100 HydrophobicContact CD2-CD1 4.49Å
101	Y	93.4	Very high	88.6	Confident	19 Å²	19	45.3 Å²	45.3	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.6	-179.9	170.8	-118.8	0	0	0	111	I84 R86 F99 G103 C104 S105 N110	I84-Y101 HydrophobicContact CB-CD1 4.19Å; I84-Y101 HydrophobicContact CD1-CD1 4.09Å; I84-Y101 HydrophobicContact CD1-CE1 4.38Å; I84-Y101 PolarHBondContact N-O 3.21Å; I84-Y101 WeakPolarHBondContact O-CB 3Å; I84-Y101 PolarHBondContact O-N 2.84Å; R86-Y101 VanDerWaalsContact CG-CB 3.49Å; R86-Y101 HydrophobicContact CG-CD1 4Å; R86-Y101 HydrophobicContact CG-CG 4.02Å; F99-Y101 HydrophobicContact CE2-CD2 4.36Å; Y101-G103 VanDerWaalsContact C-N 3.33Å; Y101-G103 PolarHBondContact O-N 3.29Å; Y101-G103 PolarHBondContact OH-O 3.01Å; Y101-C104 WeakPolarHBondContact CE2-O 3.48Å; Y101-C104 VanDerWaalsContact OH-CA 3.31Å; Y101-C104 WeakPolarHBondContact OH-CA 3.32Å; Y101-C104 PolarHBondContact OH-N 3.13Å; Y101-C104 VanDerWaalsContact OH-N 3.14Å; Y101-S105 VanDerWaalsContact CE2-CB 3.49Å; Y101-S105 VanDerWaalsContact OH-CB 3.26Å; Y101-S105 WeakPolarHBondContact OH-CB 3.29Å; Y101-S105 PolarHBondContact OH-N 3.49Å; Y101-N110 WeakPolarHBondContact CD2-ND2 3.44Å; Y101-N110 WeakPolarHBondContact CE2-ND2 3.43Å
102	G	92.2	Very high	89.1	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.031	28%	0.275	C	S	.	.			trans	-78.2	-5.6	-174.5	0	0	0	0	0	116.7	Q78 C80 Q82	Q78-G102 VanDerWaalsContact O-CA 3.26Å; Q78-G102 WeakPolarHBondContact O-CA 2.99Å; C80-G102 CarbonylContact C-O 3.6Å; C80-G102 VanDerWaalsContact C-O 3.25Å; C80-G102 WeakPolarHBondContact CA-O 3.36Å; C80-G102 WeakPolarHBondContact CB-O 3.24Å; C80-G102 PolarHBondContact N-O 3.45Å; Q82-G102 WeakPolarHBondContact CB-O 3.47Å; Q82-G102 PolarHBondContact N-O 3.4Å; Q82-G102 CarbonylContact O-C 3.56Å; Q82-G102 VanDerWaalsContact O-CA 3.24Å; Q82-G102 WeakPolarHBondContact O-CA 3.32Å
103	G	90.5	Very high	89.8	Confident	25 Å²	25	44.8 Å²	44.8	26%	0.258	27%	0.269	S	S	.	.	S	Bend	trans	103.7	-12	179	0	0	0	0	0	115.6	Y101	Y101-G103 VanDerWaalsContact C-N 3.33Å; Y101-G103 PolarHBondContact O-N 3.29Å; Y101-G103 PolarHBondContact OH-O 3.01Å
104	C	88.6	Confident	90.3	Very high	37 Å²	37	44.3 Å²	44.3	25%	0.25	26%	0.262	C	S	.	.			trans	-118.5	119.6	174.2	61.4	0	0	0	0	109.7	C80 Y101	C80-C104 HydrophobicContact CB-CB 3.63Å; C80-C104 WeakPolarHBondContact CB-SG 3.35Å; C80-C104 WeakPolarHBondContact SG-CB 3.36Å; C80-C104 CovalentContact SG-SG 2.01Å; C80-C104 PolarHBondContact SG-SG 3.42Å; Y101-C104 WeakPolarHBondContact CE2-O 3.48Å; Y101-C104 VanDerWaalsContact OH-CA 3.31Å; Y101-C104 WeakPolarHBondContact OH-CA 3.32Å; Y101-C104 PolarHBondContact OH-N 3.13Å; Y101-C104 VanDerWaalsContact OH-N 3.14Å
105	S	78.4	Confident	90.6	Very high	48 Å²	48	49.1 Å²	49.1	34%	0.336	28%	0.284	S	S	.	.			trans	-124.3	135.7	-178	-159.5	0	0	0	0	108.9	Y101 N107 N110	Y101-S105 VanDerWaalsContact CE2-CB 3.49Å; Y101-S105 VanDerWaalsContact OH-CB 3.26Å; Y101-S105 WeakPolarHBondContact OH-CB 3.29Å; Y101-S105 PolarHBondContact OH-N 3.49Å; S105-N107 PolarHBondContact OG-O 2.92Å; S105-N110 PolarHBondContact OG-ND2 3.26Å
106	T	77.1	Confident	90.9	Very high	133 Å²	133	50.2 Å²	50.2	82%	0.816	29%	0.29	S	S	*	.	S	Bend	trans	-102.2	-19.9	171	-42	0	0	0	0	112
107	N	86.8	Confident	91	Very high	48 Å²	48	49.9 Å²	49.9	26%	0.257	29%	0.288	S	S	.	.	S	Bend	trans	-117.7	161.6	-175.4	77	53.2	0	0	0	113.2	A73 A74 S105 N109	A73-N107 HydrophobicContact CB-CB 3.95Å; A74-N107 PolarHBondContact O-ND2 3Å; S105-N107 PolarHBondContact OG-O 2.92Å; N107-N109 PolarHBondContact OD1-N 3.33Å
108	S	90.6	Very high	90.7	Very high	73 Å²	73	49.4 Å²	49.4	51%	0.51	29%	0.287	S	S	.	.	S	Bend	trans	-90.8	1.6	-176.5	-46.5	0	0	0	0	114	N110 F111	S108-N110 PolarHBondContact O-N 2.8Å; S108-F111 VanDerWaalsContact O-CZ 3.31Å; S108-F111 WeakPolarHBondContact O-CZ 3.44Å
109	N	93.6	Very high	90.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.295	C	S	.	.			trans	-83	53.5	175.8	-159.5	15.2	0	0	0	110.9	D70 C71 A73 F88 W89 N107	D70-N109 WeakPolarHBondContact O-CB 3.23Å; D70-N109 PolarHBondContact O-N 2.85Å; C71-N109 PolarHBondContact O-ND2 3.28Å; A73-N109 HydrophobicContact CB-CB 4.12Å; A73-N109 PolarHBondContact O-ND2 3.08Å; F88-N109 WeakPolarHBondContact CB-O 3.16Å; W89-N109 WeakPolarHBondContact CB-OD1 3.27Å; W89-N109 PolarHBondContact N-OD1 2.86Å; W89-N109 PolarHBondContact O-ND2 3.05Å; N107-N109 PolarHBondContact OD1-N 3.33Å
110	N	94.6	Very high	90	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.123	30%	0.304	C	S	.	.			trans	-149.8	102.1	-171.9	-179.1	-23.5	0	0	0	109.5	R86 F99 Y101 S105 S108	R86-N110 WeakPolarHBondContact CB-OD1 2.99Å; R86-N110 WeakPolarHBondContact CD-OD1 3.04Å; R86-N110 VanDerWaalsContact CG-OD1 3.24Å; R86-N110 WeakPolarHBondContact CG-OD1 3.18Å; R86-N110 PolarHBondContact NH1-OD1 3.08Å; F99-N110 HydrophobicContact CZ-CB 4.13Å; Y101-N110 WeakPolarHBondContact CD2-ND2 3.44Å; Y101-N110 WeakPolarHBondContact CE2-ND2 3.43Å; S105-N110 PolarHBondContact OG-ND2 3.26Å; S108-N110 PolarHBondContact O-N 2.8Å
111	F	94.8	Very high	89.8	Confident	13 Å²	13	51 Å²	51	6%	0.057	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-117.3	147.4	-173.5	-54.1	-81.1	0	0	0	111.2	R86 W87 S108 T113 E116 C117 H120 C121	R86-F111 WeakPolarHBondContact CA-O 3.13Å; R86-F111 WeakPolarHBondContact CD-O 3.41Å; W87-F111 HydrophobicContact CB-CB 4.39Å; W87-F111 PolarHBondContact N-O 2.67Å; W87-F111 WeakPolarHBondContact O-CD2 3.5Å; W87-F111 PolarHBondContact O-N 3.25Å; S108-F111 VanDerWaalsContact O-CZ 3.31Å; S108-F111 WeakPolarHBondContact O-CZ 3.44Å; F111-T113 VanDerWaalsContact C-N 3.33Å; F111-E116 HydrophobicContact CB-CB 4.26Å; F111-E116 HydrophobicContact CB-CG 4.27Å; F111-E116 HydrophobicContact CD1-CG 3.82Å; F111-E116 HydrophobicContact CG-CG 4.45Å; F111-C117 HydrophobicContact CB-CB 3.8Å; F111-C117 VanDerWaalsContact CD2-CA 3.48Å; F111-C117 HydrophobicContact CD2-CB 3.31Å; F111-C117 HydrophobicContact CE2-CB 4.07Å; F111-C117 VanDerWaalsContact CG-CA 3.47Å; F111-C117 HydrophobicContact CG-CB 3.62Å; F111-H120 HydrophobicContact CE1-CB 3.75Å; F111-H120 AromaticContact CE1-CD2 3.71Å; F111-H120 AromaticContact CE1-CG 3.9Å; F111-H120 HydrophobicContact CZ-CB 4.05Å; F111-H120 AromaticContact CZ-CD2 3.53Å; F111-C121 WeakPolarHBondContact CE2-SG 3.12Å; F111-C121 WeakPolarHBondContact CZ-SG 3.33Å
112	A	94.3	Very high	89	Confident	61 Å²	61	50.8 Å²	50.8	50%	0.504	28%	0.283	S	S	.	.	S	Bend	trans	-73.2	-29.4	179.7	0	0	0	0	0	112	E116	A112-E116 PolarHBondContact N-OE2 3.03Å
113	T	93.9	Very high	87.9	Confident	63 Å²	63	52.6 Å²	52.6	39%	0.387	30%	0.302	S	S	.	.	S	Bend	trans	-133.1	153.9	-178.4	65.8	0	0	0	0	112	W87 F111 Q115 E116 C117	W87-T113 VanDerWaalsContact CD1-C 3.44Å; F111-T113 VanDerWaalsContact C-N 3.33Å; T113-Q115 VanDerWaalsContact C-N 3.32Å; T113-Q115 PolarHBondContact O-N 2.76Å; T113-E116 PolarHBondContact O-N 2.76Å; T113-E116 VanDerWaalsContact OG1-CB 3.23Å; T113-E116 WeakPolarHBondContact OG1-CB 2.98Å; T113-E116 PolarHBondContact OG1-N 2.76Å; T113-C117 PolarHBondContact O-N 3.23Å
114	E	93.8	Very high	86.3	Confident	47 Å²	47	60.9 Å²	60.9	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-45.5	173.9	-172.2	-178.2	-162.5	0	0	111.2	W87 C96 E116 C117 L118	W87-E114 HydrophobicContact CD2-CB 3.76Å; W87-E114 HydrophobicContact CD2-CG 4.3Å; W87-E114 HydrophobicContact CE3-CB 3.87Å; W87-E114 HydrophobicContact CE3-CG 3.88Å; W87-E114 HydrophobicContact CG-CB 4.36Å; W87-E114 HydrophobicContact CH2-CB 4.01Å; W87-E114 HydrophobicContact CH2-CG 4.14Å; W87-E114 HydrophobicContact CZ2-CB 3.93Å; W87-E114 HydrophobicContact CZ3-CB 3.98Å; W87-E114 HydrophobicContact CZ3-CG 3.78Å; C96-E114 HydrophobicContact CB-CG 4.08Å; E114-E116 VanDerWaalsContact C-N 3.29Å; E114-E116 PolarHBondContact O-N 2.89Å; E114-C117 WeakPolarHBondContact O-CB 3.31Å; E114-C117 PolarHBondContact O-N 3.31Å; E114-L118 HydrophobicContact CG-CD1 4.04Å; E114-L118 HydrophobicContact CG-CG 4.38Å; E114-L118 WeakPolarHBondContact O-CG 3.32Å; E114-L118 PolarHBondContact O-N 3.04Å
115	Q	87.6	Confident	85	Confident	111 Å²	111	60.3 Å²	60.3	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-33	179.3	-82.6	69.8	27.1	0	0	113.5	T113 R119	T113-Q115 VanDerWaalsContact C-N 3.32Å; T113-Q115 PolarHBondContact O-N 2.76Å; Q115-R119 WeakPolarHBondContact O-CB 3.27Å; Q115-R119 VanDerWaalsContact O-CG 3.31Å; Q115-R119 WeakPolarHBondContact O-CG 3.1Å; Q115-R119 PolarHBondContact O-N 3.01Å; Q115-R119 PolarHBondContact O-NE 3.47Å; Q115-R119 VanDerWaalsContact O-NE 3.13Å
116	E	91.8	Very high	84.9	Confident	76 Å²	76	61.3 Å²	61.3	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-47.2	175.7	-175	-172.1	-173.9	0	0	110.9	F111 A112 T113 E114 L118 R119 H120	F111-E116 HydrophobicContact CB-CB 4.26Å; F111-E116 HydrophobicContact CB-CG 4.27Å; F111-E116 HydrophobicContact CD1-CG 3.82Å; F111-E116 HydrophobicContact CG-CG 4.45Å; A112-E116 PolarHBondContact N-OE2 3.03Å; T113-E116 PolarHBondContact O-N 2.76Å; T113-E116 VanDerWaalsContact OG1-CB 3.23Å; T113-E116 WeakPolarHBondContact OG1-CB 2.98Å; T113-E116 PolarHBondContact OG1-N 2.76Å; E114-E116 VanDerWaalsContact C-N 3.29Å; E114-E116 PolarHBondContact O-N 2.89Å; E116-L118 PolarHBondContact O-N 2.92Å; E116-R119 PolarHBondContact O-N 2.83Å; E116-H120 WeakPolarHBondContact O-CB 3.43Å; E116-H120 PolarHBondContact O-N 2.78Å
117	C	92.2	Very high	85.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.3	-48.8	173.4	171.2	0	0	0	0	111.6	W87 C96 F111 T113 E114 R119 H120 C121	W87-C117 HydrophobicContact CB-CB 4.09Å; C96-C117 HydrophobicContact CB-CB 3.73Å; C96-C117 WeakPolarHBondContact CB-SG 3.38Å; C96-C117 WeakPolarHBondContact SG-CB 3.37Å; C96-C117 CovalentContact SG-SG 2.03Å; C96-C117 PolarHBondContact SG-SG 3.47Å; F111-C117 HydrophobicContact CB-CB 3.8Å; F111-C117 VanDerWaalsContact CD2-CA 3.48Å; F111-C117 HydrophobicContact CD2-CB 3.31Å; F111-C117 HydrophobicContact CE2-CB 4.07Å; F111-C117 VanDerWaalsContact CG-CA 3.47Å; F111-C117 HydrophobicContact CG-CB 3.62Å; T113-C117 PolarHBondContact O-N 3.23Å; E114-C117 WeakPolarHBondContact O-CB 3.31Å; E114-C117 PolarHBondContact O-N 3.31Å; C117-R119 PolarHBondContact O-N 3.25Å; C117-H120 PolarHBondContact O-N 2.82Å; C117-C121 VanDerWaalsContact O-CB 3.29Å; C117-C121 WeakPolarHBondContact O-CB 3.22Å; C117-C121 PolarHBondContact O-N 3.26Å
118	L	87.3	Confident	85.3	Confident	49 Å²	49	58.7 Å²	58.7	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-45.5	-179.7	-71.9	172.1	0	0	0	111.6	W89 C96 E114 E116 H120 A122	W89-L118 HydrophobicContact CZ3-CD2 4.1Å; C96-L118 HydrophobicContact CB-CD2 4.37Å; C96-L118 HydrophobicContact CB-CG 4.38Å; C96-L118 PolarHBondContact SG-N 2.83Å; E114-L118 HydrophobicContact CG-CD1 4.04Å; E114-L118 HydrophobicContact CG-CG 4.38Å; E114-L118 WeakPolarHBondContact O-CG 3.32Å; E114-L118 PolarHBondContact O-N 3.04Å; E116-L118 PolarHBondContact O-N 2.92Å; L118-H120 VanDerWaalsContact C-N 3.28Å; L118-H120 PolarHBondContact O-N 3.11Å; L118-A122 WeakPolarHBondContact O-CB 3.35Å; L118-A122 PolarHBondContact O-N 2.79Å; L118-A122 VanDerWaalsContact O-N 3.12Å
119	R	85.5	Confident	85.1	Confident	188 Å²	188	58.5 Å²	58.5	71%	0.709	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-37.7	178.1	-83.5	-177.9	-83.7	132.4	-8.3	112.3	Q115 E116 C117	Q115-R119 WeakPolarHBondContact O-CB 3.27Å; Q115-R119 VanDerWaalsContact O-CG 3.31Å; Q115-R119 WeakPolarHBondContact O-CG 3.1Å; Q115-R119 PolarHBondContact O-N 3.01Å; Q115-R119 PolarHBondContact O-NE 3.47Å; Q115-R119 VanDerWaalsContact O-NE 3.13Å; E116-R119 PolarHBondContact O-N 2.83Å; C117-R119 PolarHBondContact O-N 3.25Å
120	H	89.2	Confident	84.8	Confident	55 Å²	55	59 Å²	59	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-83	-44.2	-176.8	-169.2	69.8	0	0	0	112.8	K68 D70 C71 F111 E116 C117 L118	K68-H120 WeakPolarHBondContact CD-O 3.37Å; K68-H120 WeakPolarHBondContact CE-O 3.32Å; K68-H120 PolarHBondContact NZ-CE1 2.01Å; K68-H120 VanDerWaalsContact NZ-CE1 3.33Å; K68-H120 PolarHBondContact NZ-ND1 2.02Å; K68-H120 PolarHBondContact NZ-O 3.31Å; D70-H120 IonicContact OD1-NE2 3.54Å; D70-H120 PolarHBondContact OD1-NE2 3.49Å; D70-H120 IonicContact OD2-CD2 3.95Å; D70-H120 IonicContact OD2-CE1 2.6Å; D70-H120 IonicContact OD2-NE2 3.01Å; D70-H120 PolarHBondContact OD2-NE2 3.46Å; C71-H120 VanDerWaalsContact SG-CD2 3.51Å; F111-H120 HydrophobicContact CE1-CB 3.75Å; F111-H120 AromaticContact CE1-CD2 3.71Å; F111-H120 AromaticContact CE1-CG 3.9Å; F111-H120 HydrophobicContact CZ-CB 4.05Å; F111-H120 AromaticContact CZ-CD2 3.53Å; E116-H120 WeakPolarHBondContact O-CB 3.43Å; E116-H120 PolarHBondContact O-N 2.78Å; C117-H120 PolarHBondContact O-N 2.82Å; L118-H120 VanDerWaalsContact C-N 3.28Å; L118-H120 PolarHBondContact O-N 3.11Å
121	C	88.6	Confident	84.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-105.1	-28.3	-164.2	-66.3	0	0	0	0	115.8	P67 C71 W89 F111 C117 G123	P67-C121 WeakPolarHBondContact CA-O 3.09Å; P67-C121 WeakPolarHBondContact CB-O 3.3Å; C71-C121 HydrophobicContact CB-CB 3.46Å; C71-C121 VanDerWaalsContact CB-CB 3.46Å; C71-C121 WeakPolarHBondContact CB-SG 3.39Å; C71-C121 WeakPolarHBondContact SG-CA 3.37Å; C71-C121 WeakPolarHBondContact SG-CB 3.41Å; C71-C121 CovalentContact SG-SG 2.02Å; C71-C121 PolarHBondContact SG-SG 2.95Å; W89-C121 HydrophobicContact CB-CB 3.42Å; W89-C121 VanDerWaalsContact CB-CB 3.42Å; W89-C121 HydrophobicContact CD2-CB 3.67Å; W89-C121 HydrophobicContact CE3-CB 3.82Å; W89-C121 HydrophobicContact CG-CB 3.51Å; F111-C121 WeakPolarHBondContact CE2-SG 3.12Å; F111-C121 WeakPolarHBondContact CZ-SG 3.33Å; C117-C121 VanDerWaalsContact O-CB 3.29Å; C117-C121 WeakPolarHBondContact O-CB 3.22Å; C117-C121 PolarHBondContact O-N 3.26Å; C121-G123 PolarHBondContact O-N 3.2Å
122	A	78.6	Confident	84.6	Confident	13 Å²	13	64.8 Å²	64.8	11%	0.107	33%	0.332	C	S	.	.	S	Bend	trans	-64.7	-10.6	-177.9	0	0	0	0	0	112.9	W89 L118 C125	W89-A122 HydrophobicContact CE3-CB 4.38Å; W89-A122 VanDerWaalsContact CH2-CA 3.49Å; W89-A122 HydrophobicContact CH2-CB 3.66Å; W89-A122 HydrophobicContact CZ3-CB 3.53Å; L118-A122 WeakPolarHBondContact O-CB 3.35Å; L118-A122 PolarHBondContact O-N 2.79Å; L118-A122 VanDerWaalsContact O-N 3.12Å; A122-C125 WeakPolarHBondContact O-CB 3.2Å; A122-C125 PolarHBondContact O-N 3.18Å; A122-C125 VanDerWaalsContact O-N 3.1Å
123	G	67.5	Low	84.5	Confident	42 Å²	42	63.1 Å²	63.1	43%	0.433	32%	0.315	S	S	.	.			trans	55.6	-160.4	179.2	0	0	0	0	0	112.1	C121 C125	C121-G123 PolarHBondContact O-N 3.2Å; G123-C125 PolarHBondContact O-N 3.08Å
124	Q	57.7	Low	84.6	Confident	198 Å²	198	64.5 Å²	64.5	93%	0.925	32%	0.319	S	S	*	.	S	Bend	trans	-77.5	72.2	157.9	-78.6	179	-7.2	0	0	108.1	N126	Q124-N126 PolarHBondContact O-N 2.03Å
125	C	61.8	Low	84.6	Confident	25 Å²	25	63.2 Å²	63.2	17%	0.169	32%	0.318	C	S	.	.			trans	-64.1	128.1	161.5	-161.2	0	0	0	0	108.1	C65 A122 G123 R127	C65-C125 WeakPolarHBondContact CA-SG 3.39Å; C65-C125 HydrophobicContact CB-CB 3.46Å; C65-C125 VanDerWaalsContact CB-CB 3.46Å; C65-C125 WeakPolarHBondContact CB-SG 3.25Å; C65-C125 PolarHBondContact N-SG 3.4Å; C65-C125 WeakPolarHBondContact SG-CB 3.41Å; C65-C125 CovalentContact SG-SG 2.01Å; C65-C125 PolarHBondContact SG-SG 3.48Å; A122-C125 WeakPolarHBondContact O-CB 3.2Å; A122-C125 PolarHBondContact O-N 3.18Å; A122-C125 VanDerWaalsContact O-N 3.1Å; G123-C125 PolarHBondContact O-N 3.08Å; C125-R127 PolarHBondContact O-N 3.19Å
126	N	75.1	Confident	84.7	Confident	70 Å²	70	62.9 Å²	62.9	37%	0.374	33%	0.326	S	S	.	.			trans	-67.8	88	159.3	-170.2	-10.6	0	0	0	106.8	Q124 C128 Q129	Q124-N126 PolarHBondContact O-N 2.03Å; N126-C128 PolarHBondContact O-N 2.95Å; N126-C128 WeakPolarHBondContact OD1-CB 3.31Å; N126-C128 PolarHBondContact OD1-N 3.46Å; N126-Q129 HydrophobicContact CB-CB 4.4Å; N126-Q129 HydrophobicContact CB-CG 4.02Å; N126-Q129 PolarHBondContact ND2-NE2 3.48Å; N126-Q129 VanDerWaalsContact ND2-NE2 3.19Å; N126-Q129 WeakPolarHBondContact O-CB 3.39Å; N126-Q129 PolarHBondContact O-N 3.37Å
127	R	84.3	Confident	84.9	Confident	120 Å²	120	61.9 Å²	61.9	45%	0.453	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-52.6	-26.4	-178.8	67.7	174.6	67.5	174.2	2.3	111.6	C125 Q129 L130 N166 F168	C125-R127 PolarHBondContact O-N 3.19Å; R127-Q129 PolarHBondContact O-N 3.26Å; R127-L130 HydrophobicContact CB-CD1 4.49Å; R127-L130 WeakPolarHBondContact O-CB 3.3Å; R127-L130 PolarHBondContact O-N 2.91Å; R127-N166 WeakPolarHBondContact O-CB 3.32Å; R127-F168 HydrophobicContact CG-CZ 4.19Å
128	C	88.7	Confident	85.1	Confident	6 Å²	6	73.6 Å²	73.6	4%	0.041	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-73.3	-10.3	179.4	-45.5	0	0	0	0	113.1	N126 Y146 A177 C178	N126-C128 PolarHBondContact O-N 2.95Å; N126-C128 WeakPolarHBondContact OD1-CB 3.31Å; N126-C128 PolarHBondContact OD1-N 3.46Å; C128-Y146 HydrophobicContact CB-CD1 3.73Å; C128-Y146 HydrophobicContact CB-CE1 4.3Å; C128-Y146 HydrophobicContact CB-CG 4.17Å; C128-Y146 VanDerWaalsContact O-CD1 3.23Å; C128-Y146 WeakPolarHBondContact O-CD1 3.46Å; C128-A177 PolarHBondContact SG-O 2.84Å; C128-C178 VanDerWaalsContact CA-SG 3.57Å; C128-C178 HydrophobicContact CB-CB 3.46Å; C128-C178 VanDerWaalsContact CB-CB 3.46Å; C128-C178 WeakPolarHBondContact CB-SG 3.4Å; C128-C178 WeakPolarHBondContact SG-CA 3.28Å; C128-C178 WeakPolarHBondContact SG-CB 3.44Å; C128-C178 CovalentContact SG-SG 2.02Å; C128-C178 PolarHBondContact SG-SG 3.24Å
129	Q	87.3	Confident	85.6	Confident	68 Å²	68	73.3 Å²	73.3	32%	0.318	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-99.9	-6.9	174	-65.3	-177.2	5	0	0	113	N126 R127	N126-Q129 HydrophobicContact CB-CB 4.4Å; N126-Q129 HydrophobicContact CB-CG 4.02Å; N126-Q129 PolarHBondContact ND2-NE2 3.48Å; N126-Q129 VanDerWaalsContact ND2-NE2 3.19Å; N126-Q129 WeakPolarHBondContact O-CB 3.39Å; N126-Q129 PolarHBondContact O-N 3.37Å; R127-Q129 PolarHBondContact O-N 3.26Å
130	L	86.5	Confident	86.2	Confident	10 Å²	10	69.1 Å²	69.1	5%	0.052	38%	0.375	C	S	.	.	S	Bend	trans	-69.9	148.1	176	-66.3	171.6	0	0	0	110.2	M64 R127 N164 N166	M64-L130 HydrophobicContact CE-CD2 4.42Å; R127-L130 HydrophobicContact CB-CD1 4.49Å; R127-L130 WeakPolarHBondContact O-CB 3.3Å; R127-L130 PolarHBondContact O-N 2.91Å; L130-N164 HydrophobicContact CD1-CB 4.15Å; L130-N166 HydrophobicContact CB-CB 4.02Å; L130-N166 PolarHBondContact O-ND2 3.4Å
131	P	90.6	Very high	86.6	Confident	79 Å²	79	70.2 Å²	70.2	51%	0.513	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65.8	161.5	175.8	29.3	-35.6	0	0	0	111.2	N164	P131-N164 PolarHBondContact O-ND2 3.43Å; P131-N164 PolarHBondContact O-OD1 3.3Å
132	M	93.8	Very high	87	Confident	79 Å²	79	78 Å²	78	39%	0.389	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-62.8	139	165.1	-176	-115.3	-70.6	0	0	110	I134 Y145 F156	M132-I134 HydrophobicContact SD-CG1 4.12Å; M132-Y145 HydrophobicContact CB-CD1 3.92Å; M132-Y145 HydrophobicContact CB-CD2 3.66Å; M132-Y145 HydrophobicContact CB-CE1 3.97Å; M132-Y145 HydrophobicContact CB-CE2 3.72Å; M132-Y145 HydrophobicContact CB-CG 3.76Å; M132-Y145 HydrophobicContact CE-CE1 4.12Å; M132-Y145 HydrophobicContact CG-CD1 3.65Å; M132-Y145 HydrophobicContact CG-CD2 4.31Å; M132-Y145 HydrophobicContact CG-CE1 3.84Å; M132-Y145 HydrophobicContact CG-CE2 4.49Å; M132-Y145 HydrophobicContact CG-CG 3.89Å; M132-F156 HydrophobicContact CE-CB 4.1Å; M132-F156 HydrophobicContact CG-CB 3.81Å; M132-F156 HydrophobicContact CG-CD1 4.21Å; M132-F156 HydrophobicContact CG-CD2 3.51Å; M132-F156 HydrophobicContact CG-CE2 4.06Å; M132-F156 HydrophobicContact CG-CG 3.58Å; M132-F156 HydrophobicContact SD-CB 3.84Å; M132-F156 HydrophobicContact SD-CD2 3.72Å; M132-F156 HydrophobicContact SD-CG 4.03Å
133	D	93.5	Very high	88	Confident	26 Å²	26	79.4 Å²	79.4	14%	0.139	41%	0.413	C	S	.	.			trans	-145.5	112.1	-173.5	-178.5	13.9	0	0	0	112.3	K95 G135 F156 G163 N164	K95-D133 WeakPolarHBondContact CE-OD2 3.39Å; K95-D133 VanDerWaalsContact NZ-CG 3.25Å; K95-D133 IonicContact NZ-OD1 2.7Å; K95-D133 PolarHBondContact NZ-OD1 2.76Å; K95-D133 IonicContact NZ-OD2 3.48Å; K95-D133 PolarHBondContact NZ-OD2 3.19Å; D133-G135 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact OD1-N 2.59Å; D133-F156 WeakPolarHBondContact O-CE2 2.87Å; D133-G163 VanDerWaalsContact OD2-CA 3.29Å; D133-G163 WeakPolarHBondContact OD2-CA 2.9Å; D133-N164 HydrophobicContact CB-CB 4.43Å; D133-N164 VanDerWaalsContact CB-ND2 3.31Å; D133-N164 WeakPolarHBondContact CB-ND2 3.36Å; D133-N164 PolarHBondContact OD2-N 3.01Å
134	I	95.7	Very high	89.4	Confident	92 Å²	92	79.2 Å²	79.2	47%	0.472	40%	0.4	S	S	.	.			trans	-72	-28.9	-178.9	-59	177.3	0	0	0	110.8	M132 Y158 G159	M132-I134 HydrophobicContact SD-CG1 4.12Å; I134-Y158 WeakPolarHBondContact O-CD2 3.22Å; I134-Y158 WeakPolarHBondContact O-CE2 2.96Å; I134-G159 WeakPolarHBondContact O-CA 3.32Å; I134-G159 PolarHBondContact O-N 3.38Å
135	G	93.2	Very high	91.3	Very high	20 Å²	20	71.4 Å²	71.4	21%	0.206	36%	0.362	C	S	.	.			trans	69.9	177.8	-170	0	0	0	0	0	114.1	D133 C161	D133-G135 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact OD1-N 2.59Å; G135-C161 WeakPolarHBondContact CA-O 3.48Å
136	P	90.9	Very high	92.9	Very high	104 Å²	104	71.2 Å²	71.2	68%	0.675	36%	0.358	S	S	*	.	S	Bend	trans	-85	-15.9	-171.6	31.5	-35.9	0	0	0	115.1	C161	P136-C161 VanDerWaalsContact CD-O 3.32Å; P136-C161 WeakPolarHBondContact CD-O 3.13Å
137	C	96.1	Very high	93.8	Very high	55 Å²	55	69.1 Å²	69.1	37%	0.372	35%	0.346	S	S	.	.			trans	-75.1	164.3	178.8	-74	0	0	0	0	112.3	G159 C161	C137-G159 CarbonylContact C-O 3.48Å; C137-G159 WeakPolarHBondContact CB-O 3.4Å; C137-G159 WeakPolarHBondContact O-CA 3.39Å; C137-C161 HydrophobicContact CB-CB 3.88Å; C137-C161 WeakPolarHBondContact CB-SG 2.89Å; C137-C161 PolarHBondContact N-SG 3.03Å; C137-C161 WeakPolarHBondContact SG-CB 3.19Å; C137-C161 CovalentContact SG-SG 2.02Å; C137-C161 PolarHBondContact SG-SG 3.47Å
138	R	96	Very high	94.1	Very high	246 Å²	246	66.6 Å²	66.6	93%	0.928	35%	0.347	S	S	*	.			trans	-117.3	20.8	-172.6	-59.7	-177.9	179.9	174.6	-0.8	114.1	G159	R138-G159 PolarHBondContact N-O 2.83Å
139	A	97.2	Very high	94.2	Very high	44 Å²	44	71.3 Å²	71.3	36%	0.364	38%	0.381	S	S	.	.			trans	-68.7	162.3	167.4	0	0	0	0	0	110	M141 G159	A139-M141 HydrophobicContact CB-CE 3.95Å; A139-M141 HydrophobicContact CB-CG 4.2Å; A139-G159 WeakPolarHBondContact CA-O 3.19Å; A139-G159 WeakPolarHBondContact CB-O 3.46Å; A139-G159 PolarHBondContact N-O 3.24Å; A139-G159 WeakPolarHBondContact O-CA 3.37Å
140	S	97.5	Very high	94.5	Very high	100 Å²	100	69.8 Å²	69.8	70%	0.699	38%	0.377	S	S	*	.			trans	-116.8	81.6	176.2	176.7	0	0	0	0	109.4
141	M	97.9	Very high	94.7	Very high	78 Å²	78	72.6 Å²	72.6	38%	0.384	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.3	-178.8	-58.9	-175	178.9	0	0	110.3	A139 R143 Y158	A139-M141 HydrophobicContact CB-CE 3.95Å; A139-M141 HydrophobicContact CB-CG 4.2Å; M141-R143 PolarHBondContact O-N 3.34Å; M141-Y158 WeakPolarHBondContact CB-O 3.31Å; M141-Y158 PolarHBondContact N-O 2.8Å; M141-Y158 PolarHBondContact O-N 3.08Å; M141-Y158 HydrophobicContact SD-CD1 4.43Å
142	R	98.2	Very high	94.9	Very high	164 Å²	164	74.2 Å²	74.2	62%	0.619	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.3	173.7	-174.2	178.7	-178.4	-153.9	2	109.6	W144	R142-W144 VanDerWaalsContact NH2-CZ2 3.35Å
143	R	98	Very high	95.1	Very high	41 Å²	41	71 Å²	71	16%	0.155	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	173.8	178.1	-64.3	-62.7	174.9	79.5	1	110.1	M141 P155 F156 Y158 N167 F168 M169	M141-R143 PolarHBondContact O-N 3.34Å; R143-P155 CarbonylContact O-C 3.56Å; R143-P155 VanDerWaalsContact O-CA 3.27Å; R143-P155 WeakPolarHBondContact O-CA 3.32Å; R143-F156 HydrophobicContact CB-CD1 3.88Å; R143-F156 HydrophobicContact CB-CE1 3.36Å; R143-F156 HydrophobicContact CB-CE2 4.49Å; R143-F156 HydrophobicContact CB-CZ 3.73Å; R143-F156 PolarHBondContact N-O 3.1Å; R143-F156 PolarHBondContact O-N 3Å; R143-Y158 VanDerWaalsContact CG-CB 3.48Å; R143-Y158 HydrophobicContact CG-CD1 4.32Å; R143-Y158 HydrophobicContact CG-CG 4.25Å; R143-Y158 VanDerWaalsContact NH1-CD1 3.27Å; R143-N167 WeakPolarHBondContact CB-OD1 3.03Å; R143-N167 VanDerWaalsContact CD-OD1 3.29Å; R143-N167 WeakPolarHBondContact CD-OD1 2.99Å; R143-N167 WeakPolarHBondContact CG-OD1 3.44Å; R143-N167 PolarHBondContact NH1-OD1 2.66Å; R143-F168 CarbonylContact C-O 3.56Å; R143-F168 WeakPolarHBondContact CA-O 3.26Å; R143-F168 WeakPolarHBondContact CD-O 3.49Å; R143-M169 PolarHBondContact NE-SD 3.05Å
144	W	98.1	Very high	95.3	Very high	39 Å²	39	72.9 Å²	72.9	15%	0.148	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.6	176.9	-63.8	80.5	0	0	0	110	R142 C153 K154 P155 F168 N171 C174	R142-W144 VanDerWaalsContact NH2-CZ2 3.35Å; W144-C153 HydrophobicContact CE3-CB 4.33Å; W144-K154 WeakPolarHBondContact CA-O 3.48Å; W144-P155 HydrophobicContact CD2-CB 4.36Å; W144-P155 HydrophobicContact CE3-CB 4.33Å; W144-P155 HydrophobicContact CH2-CB 4.43Å; W144-P155 HydrophobicContact CZ2-CB 4.45Å; W144-P155 HydrophobicContact CZ3-CB 4.37Å; W144-P155 HydrophobicContact CZ3-CG 4.43Å; W144-F168 HydrophobicContact CB-CB 4.29Å; W144-F168 PolarHBondContact N-O 3.47Å; W144-F168 WeakPolarHBondContact O-CD2 3.12Å; W144-F168 PolarHBondContact O-N 2.87Å; W144-N171 HydrophobicContact CD2-CB 3.75Å; W144-N171 HydrophobicContact CE3-CB 3.75Å; W144-N171 HydrophobicContact CG-CB 4.45Å; W144-N171 HydrophobicContact CH2-CB 3.77Å; W144-N171 HydrophobicContact CZ2-CB 3.77Å; W144-N171 HydrophobicContact CZ3-CB 3.76Å; W144-C174 HydrophobicContact CB-CB 4.07Å
145	Y	96.8	Very high	95.5	Very high	34 Å²	34	71.9 Å²	71.9	13%	0.133	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.9	172.1	79.8	-78.5	0	0	0	108.8	M132 D147 C153 K154 F156 N166	M132-Y145 HydrophobicContact CB-CD1 3.92Å; M132-Y145 HydrophobicContact CB-CD2 3.66Å; M132-Y145 HydrophobicContact CB-CE1 3.97Å; M132-Y145 HydrophobicContact CB-CE2 3.72Å; M132-Y145 HydrophobicContact CB-CG 3.76Å; M132-Y145 HydrophobicContact CE-CE1 4.12Å; M132-Y145 HydrophobicContact CG-CD1 3.65Å; M132-Y145 HydrophobicContact CG-CD2 4.31Å; M132-Y145 HydrophobicContact CG-CE1 3.84Å; M132-Y145 HydrophobicContact CG-CE2 4.49Å; M132-Y145 HydrophobicContact CG-CG 3.89Å; Y145-D147 HydrophobicContact CE2-CB 3.78Å; Y145-C153 CarbonylContact O-C 3.19Å; Y145-C153 WeakPolarHBondContact O-CA 3.19Å; Y145-K154 HydrophobicContact CD1-CB 4.21Å; Y145-K154 VanDerWaalsContact CD1-O 3.26Å; Y145-K154 WeakPolarHBondContact CD1-O 3.21Å; Y145-K154 HydrophobicContact CE1-CB 3.63Å; Y145-K154 PolarHBondContact N-O 3.28Å; Y145-K154 PolarHBondContact O-N 2.01Å; Y145-F156 HydrophobicContact CD1-CB 4.05Å; Y145-F156 AromaticContact CD1-CD1 3.71Å; Y145-F156 HydrophobicContact CD1-CD1 3.71Å; Y145-F156 HydrophobicContact CD1-CE1 4.45Å; Y145-F156 HydrophobicContact CD1-CG 4.08Å; Y145-F156 HydrophobicContact CE1-CB 4.3Å; Y145-F156 HydrophobicContact CG-CD1 4.3Å; Y145-N166 WeakPolarHBondContact CB-O 3.27Å
146	Y	94.9	Very high	95.7	Very high	21 Å²	21	71.6 Å²	71.6	8%	0.082	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.1	173.7	-174.1	-98.4	0	0	0	109.8	C128 S151 N166 C178 N179	C128-Y146 HydrophobicContact CB-CD1 3.73Å; C128-Y146 HydrophobicContact CB-CE1 4.3Å; C128-Y146 HydrophobicContact CB-CG 4.17Å; C128-Y146 VanDerWaalsContact O-CD1 3.23Å; C128-Y146 WeakPolarHBondContact O-CD1 3.46Å; Y146-S151 WeakPolarHBondContact OH-CA 3.47Å; Y146-N166 PolarHBondContact N-OD1 3.33Å; Y146-N166 PolarHBondContact O-ND2 2.6Å; Y146-C178 HydrophobicContact CD1-CB 4.03Å; Y146-C178 HydrophobicContact CD2-CB 3.42Å; Y146-C178 VanDerWaalsContact CD2-CB 3.42Å; Y146-C178 HydrophobicContact CE1-CB 4.5Å; Y146-C178 HydrophobicContact CE2-CB 4Å; Y146-C178 HydrophobicContact CG-CB 3.41Å; Y146-C178 VanDerWaalsContact CG-CB 3.41Å; Y146-N179 HydrophobicContact CE2-CB 4.15Å
147	D	95.3	Very high	96.1	Very high	25 Å²	25	70.7 Å²	70.7	13%	0.134	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	100.4	171.3	-178.3	-7.7	0	0	0	109.3	Y145 S149 S150 S151 Q152 K154	Y145-D147 HydrophobicContact CE2-CB 3.78Å; D147-S149 PolarHBondContact O-N 2.98Å; D147-S149 WeakPolarHBondContact OD1-CB 3.38Å; D147-S149 PolarHBondContact OD1-N 3.21Å; D147-S149 PolarHBondContact OD1-OG 2.86Å; D147-S149 PolarHBondContact OD2-OG 3.38Å; D147-S150 PolarHBondContact O-N 3.01Å; D147-S150 PolarHBondContact O-OG 2.78Å; D147-S150 PolarHBondContact OD2-OG 3.4Å; D147-S151 WeakPolarHBondContact O-CA 3.29Å; D147-S151 PolarHBondContact O-N 3.16Å; D147-Q152 PolarHBondContact N-O 3.04Å; D147-Q152 PolarHBondContact O-N 3.29Å; D147-K154 HydrophobicContact CB-CD 3.94Å; D147-K154 HydrophobicContact CB-CG 4.43Å; D147-K154 WeakPolarHBondContact OD2-CE 3.27Å; D147-K154 IonicContact OD2-NZ 2.68Å; D147-K154 PolarHBondContact OD2-NZ 3.07Å
148	S	89.7	Confident	96.1	Very high	67 Å²	67	69.4 Å²	69.4	47%	0.469	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.4	-178.8	60.3	0	0	0	0	114.1	S150	S148-S150 VanDerWaalsContact C-N 3.33Å
149	S	91.3	Very high	96.1	Very high	106 Å²	106	57.8 Å²	57.8	74%	0.741	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-29.7	178.5	72.1	0	0	0	0	112.7	D147	D147-S149 PolarHBondContact O-N 2.98Å; D147-S149 WeakPolarHBondContact OD1-CB 3.38Å; D147-S149 PolarHBondContact OD1-N 3.21Å; D147-S149 PolarHBondContact OD1-OG 2.86Å; D147-S149 PolarHBondContact OD2-OG 3.38Å
150	S	94.1	Very high	95.9	Very high	36 Å²	36	57.1 Å²	57.1	25%	0.252	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-1.1	-179.1	62.5	0	0	0	0	113.5	D147 S148 Q152 K154	D147-S150 PolarHBondContact O-N 3.01Å; D147-S150 PolarHBondContact O-OG 2.78Å; D147-S150 PolarHBondContact OD2-OG 3.4Å; S148-S150 VanDerWaalsContact C-N 3.33Å; S150-Q152 WeakPolarHBondContact O-CG 3.46Å; S150-Q152 PolarHBondContact O-N 3.4Å; S150-Q152 PolarHBondContact O-NE2 2.88Å; S150-K154 VanDerWaalsContact OG-CE 3.24Å; S150-K154 WeakPolarHBondContact OG-CE 3.46Å; S150-K154 PolarHBondContact OG-NZ 3.33Å; S150-K154 VanDerWaalsContact OG-NZ 3.17Å
151	S	91.1	Very high	95.5	Very high	69 Å²	69	54.4 Å²	54.4	48%	0.483	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	38.3	-173.4	-60.1	0	0	0	0	113.3	Y146 D147	Y146-S151 WeakPolarHBondContact OH-CA 3.47Å; D147-S151 WeakPolarHBondContact O-CA 3.29Å; D147-S151 PolarHBondContact O-N 3.16Å
152	Q	94.8	Very high	94.9	Very high	112 Å²	112	51.8 Å²	51.8	52%	0.523	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.6	-174.2	-77	171.8	60.9	0	0	111.6	D147 S150	D147-Q152 PolarHBondContact N-O 3.04Å; D147-Q152 PolarHBondContact O-N 3.29Å; S150-Q152 WeakPolarHBondContact O-CG 3.46Å; S150-Q152 PolarHBondContact O-N 3.4Å; S150-Q152 PolarHBondContact O-NE2 2.88Å
153	C	97.5	Very high	94.3	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.8	166	-72.3	0	0	0	0	109.7	W144 Y145 N171 C174 L175	W144-C153 HydrophobicContact CE3-CB 4.33Å; Y145-C153 CarbonylContact O-C 3.19Å; Y145-C153 WeakPolarHBondContact O-CA 3.19Å; C153-N171 WeakPolarHBondContact CB-OD1 3.35Å; C153-C174 HydrophobicContact CB-CB 3.77Å; C153-C174 WeakPolarHBondContact CB-SG 3.08Å; C153-C174 WeakPolarHBondContact SG-CB 3.47Å; C153-C174 CovalentContact SG-SG 2.03Å; C153-C174 PolarHBondContact SG-SG 3.11Å; C153-L175 HydrophobicContact CB-CD2 4.26Å; C153-L175 HydrophobicContact CB-CG 4.3Å; C153-L175 PolarHBondContact SG-N 2.86Å
154	K	98.2	Very high	93.8	Very high	65 Å²	65	43.7 Å²	43.7	28%	0.283	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.9	-177.5	-67.4	-179.4	-179.1	173	0	110.5	W144 Y145 D147 S150	W144-K154 WeakPolarHBondContact CA-O 3.48Å; Y145-K154 HydrophobicContact CD1-CB 4.21Å; Y145-K154 VanDerWaalsContact CD1-O 3.26Å; Y145-K154 WeakPolarHBondContact CD1-O 3.21Å; Y145-K154 HydrophobicContact CE1-CB 3.63Å; Y145-K154 PolarHBondContact N-O 3.28Å; Y145-K154 PolarHBondContact O-N 2.01Å; D147-K154 HydrophobicContact CB-CD 3.94Å; D147-K154 HydrophobicContact CB-CG 4.43Å; D147-K154 WeakPolarHBondContact OD2-CE 3.27Å; D147-K154 IonicContact OD2-NZ 2.68Å; D147-K154 PolarHBondContact OD2-NZ 3.07Å; S150-K154 VanDerWaalsContact OG-CE 3.24Å; S150-K154 WeakPolarHBondContact OG-CE 3.46Å; S150-K154 PolarHBondContact OG-NZ 3.33Å; S150-K154 VanDerWaalsContact OG-NZ 3.17Å
155	P	98.2	Very high	93.3	Very high	70 Å²	70	44.1 Å²	44.1	46%	0.455	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.5	175.8	31.7	-34.6	0	0	0	110.7	R143 W144	R143-P155 CarbonylContact O-C 3.56Å; R143-P155 VanDerWaalsContact O-CA 3.27Å; R143-P155 WeakPolarHBondContact O-CA 3.32Å; W144-P155 HydrophobicContact CD2-CB 4.36Å; W144-P155 HydrophobicContact CE3-CB 4.33Å; W144-P155 HydrophobicContact CH2-CB 4.43Å; W144-P155 HydrophobicContact CZ2-CB 4.45Å; W144-P155 HydrophobicContact CZ3-CB 4.37Å; W144-P155 HydrophobicContact CZ3-CG 4.43Å
156	F	98.2	Very high	93.1	Very high	14 Å²	14	42.5 Å²	42.5	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	169.5	170.1	77.9	-71.8	0	0	0	110.8	M132 D133 R143 Y145 Y158 N167	M132-F156 HydrophobicContact CE-CB 4.1Å; M132-F156 HydrophobicContact CG-CB 3.81Å; M132-F156 HydrophobicContact CG-CD1 4.21Å; M132-F156 HydrophobicContact CG-CD2 3.51Å; M132-F156 HydrophobicContact CG-CE2 4.06Å; M132-F156 HydrophobicContact CG-CG 3.58Å; M132-F156 HydrophobicContact SD-CB 3.84Å; M132-F156 HydrophobicContact SD-CD2 3.72Å; M132-F156 HydrophobicContact SD-CG 4.03Å; D133-F156 WeakPolarHBondContact O-CE2 2.87Å; R143-F156 HydrophobicContact CB-CD1 3.88Å; R143-F156 HydrophobicContact CB-CE1 3.36Å; R143-F156 HydrophobicContact CB-CE2 4.49Å; R143-F156 HydrophobicContact CB-CZ 3.73Å; R143-F156 PolarHBondContact N-O 3.1Å; R143-F156 PolarHBondContact O-N 3Å; Y145-F156 HydrophobicContact CD1-CB 4.05Å; Y145-F156 AromaticContact CD1-CD1 3.71Å; Y145-F156 HydrophobicContact CD1-CD1 3.71Å; Y145-F156 HydrophobicContact CD1-CE1 4.45Å; Y145-F156 HydrophobicContact CD1-CG 4.08Å; Y145-F156 HydrophobicContact CE1-CB 4.3Å; Y145-F156 HydrophobicContact CG-CD1 4.3Å; F156-Y158 HydrophobicContact CE2-CD2 4.48Å; F156-N167 HydrophobicContact CZ-CB 4.1Å
157	I	98.3	Very high	93.1	Very high	86 Å²	86	43 Å²	43	44%	0.441	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.8	175.8	-56.4	-57.4	0	0	0	108.9
158	Y	97.4	Very high	93.1	Very high	28 Å²	28	42.5 Å²	42.5	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.1	174.5	177.8	-128.8	0	0	0	110.7	I134 M141 R143 F156 G160 C161 G162 G163 N167	I134-Y158 WeakPolarHBondContact O-CD2 3.22Å; I134-Y158 WeakPolarHBondContact O-CE2 2.96Å; M141-Y158 WeakPolarHBondContact CB-O 3.31Å; M141-Y158 PolarHBondContact N-O 2.8Å; M141-Y158 PolarHBondContact O-N 3.08Å; M141-Y158 HydrophobicContact SD-CD1 4.43Å; R143-Y158 VanDerWaalsContact CG-CB 3.48Å; R143-Y158 HydrophobicContact CG-CD1 4.32Å; R143-Y158 HydrophobicContact CG-CG 4.25Å; R143-Y158 VanDerWaalsContact NH1-CD1 3.27Å; F156-Y158 HydrophobicContact CE2-CD2 4.48Å; Y158-G160 VanDerWaalsContact CE1-C 3.43Å; Y158-G160 VanDerWaalsContact CE1-CA 3.41Å; Y158-G160 PolarHBondContact O-N 2.85Å; Y158-C161 WeakPolarHBondContact OH-CA 3.48Å; Y158-C161 PolarHBondContact OH-N 3.47Å; Y158-C161 PolarHBondContact OH-O 3.22Å; Y158-G162 PolarHBondContact OH-N 3.42Å; Y158-G163 PolarHBondContact OH-N 3.02Å; Y158-N167 VanDerWaalsContact CD2-ND2 3.27Å; Y158-N167 WeakPolarHBondContact CD2-ND2 3.19Å; Y158-N167 VanDerWaalsContact CG-ND2 3.25Å
159	G	96.6	Very high	93.3	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.021	28%	0.276	C	S	.	.			trans	-67.8	-13.8	-179.7	0	0	0	0	0	114.4	I134 C137 R138 A139	I134-G159 WeakPolarHBondContact O-CA 3.32Å; I134-G159 PolarHBondContact O-N 3.38Å; C137-G159 CarbonylContact C-O 3.48Å; C137-G159 WeakPolarHBondContact CB-O 3.4Å; C137-G159 WeakPolarHBondContact O-CA 3.39Å; R138-G159 PolarHBondContact N-O 2.83Å; A139-G159 WeakPolarHBondContact CA-O 3.19Å; A139-G159 WeakPolarHBondContact CB-O 3.46Å; A139-G159 PolarHBondContact N-O 3.24Å; A139-G159 WeakPolarHBondContact O-CA 3.37Å
160	G	92.7	Very high	93.5	Very high	30 Å²	30	42.1 Å²	42.1	31%	0.309	25%	0.25	S	S	.	.	S	Bend	trans	100.7	-11.3	175.4	0	0	0	0	0	115.3	Y158	Y158-G160 VanDerWaalsContact CE1-C 3.43Å; Y158-G160 VanDerWaalsContact CE1-CA 3.41Å; Y158-G160 PolarHBondContact O-N 2.85Å
161	C	88.2	Confident	93.5	Very high	42 Å²	42	42.3 Å²	42.3	28%	0.284	25%	0.248	S	C	.	.	S	Bend	trans	-149.1	160.5	172.9	77	0	0	0	0	111.6	G135 P136 C137 Y158 G163	G135-C161 WeakPolarHBondContact CA-O 3.48Å; P136-C161 VanDerWaalsContact CD-O 3.32Å; P136-C161 WeakPolarHBondContact CD-O 3.13Å; C137-C161 HydrophobicContact CB-CB 3.88Å; C137-C161 WeakPolarHBondContact CB-SG 2.89Å; C137-C161 PolarHBondContact N-SG 3.03Å; C137-C161 WeakPolarHBondContact SG-CB 3.19Å; C137-C161 CovalentContact SG-SG 2.02Å; C137-C161 PolarHBondContact SG-SG 3.47Å; Y158-C161 WeakPolarHBondContact OH-CA 3.48Å; Y158-C161 PolarHBondContact OH-N 3.47Å; Y158-C161 PolarHBondContact OH-O 3.22Å; C161-G163 PolarHBondContact O-N 3.14Å; C161-G163 VanDerWaalsContact O-N 3.14Å
162	G	84.7	Confident	93.7	Very high	24 Å²	24	43 Å²	43	25%	0.247	24%	0.244	C	C	.	.	S	Bend	trans	64.7	13.2	167.8	0	0	0	0	0	117.5	K95 Y158	K95-G162 PolarHBondContact NZ-O 3.37Å; Y158-G162 PolarHBondContact OH-N 3.42Å
163	G	86	Confident	93.5	Very high	15 Å²	15	40.4 Å²	40.4	16%	0.155	23%	0.234	C	C	.	.			trans	-77.2	169.3	170.7	0	0	0	0	0	112.1	D133 Y158 C161	D133-G163 VanDerWaalsContact OD2-CA 3.29Å; D133-G163 WeakPolarHBondContact OD2-CA 2.9Å; Y158-G163 PolarHBondContact OH-N 3.02Å; C161-G163 PolarHBondContact O-N 3.14Å; C161-G163 VanDerWaalsContact O-N 3.14Å
164	N	88.1	Confident	93.4	Very high	20 Å²	20	39.8 Å²	39.8	11%	0.107	23%	0.229	C	C	.	.			trans	-92.1	-176.7	176.4	73.7	44.6	0	0	0	113.2	L130 P131 D133 N166 N167	L130-N164 HydrophobicContact CD1-CB 4.15Å; P131-N164 PolarHBondContact O-ND2 3.43Å; P131-N164 PolarHBondContact O-OD1 3.3Å; D133-N164 HydrophobicContact CB-CB 4.43Å; D133-N164 VanDerWaalsContact CB-ND2 3.31Å; D133-N164 WeakPolarHBondContact CB-ND2 3.36Å; D133-N164 PolarHBondContact OD2-N 3.01Å; N164-N166 VanDerWaalsContact C-N 3.31Å; N164-N166 PolarHBondContact O-N 3.26Å; N164-N166 WeakPolarHBondContact OD1-CB 3.15Å; N164-N166 PolarHBondContact OD1-N 3.48Å; N164-N167 WeakPolarHBondContact O-CB 2.97Å
165	S	86.8	Confident	93.2	Very high	48 Å²	48	38.4 Å²	38.4	34%	0.336	23%	0.225	S	C	.	.	S	Bend	trans	-76.5	-7.3	-175.2	-67.9	0	0	0	0	115.3	N167	S165-N167 PolarHBondContact O-N 2.85Å
166	N	93	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.			trans	-80.4	55.8	169.9	-157.9	3.6	0	0	0	110.5	R127 L130 Y145 Y146 N164 F168	R127-N166 WeakPolarHBondContact O-CB 3.32Å; L130-N166 HydrophobicContact CB-CB 4.02Å; L130-N166 PolarHBondContact O-ND2 3.4Å; Y145-N166 WeakPolarHBondContact CB-O 3.27Å; Y146-N166 PolarHBondContact N-OD1 3.33Å; Y146-N166 PolarHBondContact O-ND2 2.6Å; N164-N166 VanDerWaalsContact C-N 3.31Å; N164-N166 PolarHBondContact O-N 3.26Å; N164-N166 WeakPolarHBondContact OD1-CB 3.15Å; N164-N166 PolarHBondContact OD1-N 3.48Å; N166-F168 WeakPolarHBondContact OD1-CE2 3.45Å
167	N	94.5	Very high	92.4	Very high	31 Å²	31	38.7 Å²	38.7	17%	0.166	23%	0.227	C	C	.	.			trans	-145.1	103.8	-171.2	-174.7	-32.4	0	0	0	108.8	R143 F156 Y158 N164 S165	R143-N167 WeakPolarHBondContact CB-OD1 3.03Å; R143-N167 VanDerWaalsContact CD-OD1 3.29Å; R143-N167 WeakPolarHBondContact CD-OD1 2.99Å; R143-N167 WeakPolarHBondContact CG-OD1 3.44Å; R143-N167 PolarHBondContact NH1-OD1 2.66Å; F156-N167 HydrophobicContact CZ-CB 4.1Å; Y158-N167 VanDerWaalsContact CD2-ND2 3.27Å; Y158-N167 WeakPolarHBondContact CD2-ND2 3.19Å; Y158-N167 VanDerWaalsContact CG-ND2 3.25Å; N164-N167 WeakPolarHBondContact O-CB 2.97Å; S165-N167 PolarHBondContact O-N 2.85Å
168	F	95.6	Very high	92	Very high	14 Å²	14	35.3 Å²	35.3	6%	0.061	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-117.3	148.6	-173.9	-55.7	-83.2	0	0	0	110.8	R127 R143 W144 N166 D173 C174 A177 C178	R127-F168 HydrophobicContact CG-CZ 4.19Å; R143-F168 CarbonylContact C-O 3.56Å; R143-F168 WeakPolarHBondContact CA-O 3.26Å; R143-F168 WeakPolarHBondContact CD-O 3.49Å; W144-F168 HydrophobicContact CB-CB 4.29Å; W144-F168 PolarHBondContact N-O 3.47Å; W144-F168 WeakPolarHBondContact O-CD2 3.12Å; W144-F168 PolarHBondContact O-N 2.87Å; N166-F168 WeakPolarHBondContact OD1-CE2 3.45Å; F168-D173 HydrophobicContact CB-CB 4.35Å; F168-D173 HydrophobicContact CD1-CB 4.48Å; F168-C174 HydrophobicContact CB-CB 3.8Å; F168-C174 HydrophobicContact CD1-CB 4.46Å; F168-C174 HydrophobicContact CD2-CB 3.41Å; F168-C174 VanDerWaalsContact CD2-CB 3.41Å; F168-C174 HydrophobicContact CE2-CB 4.06Å; F168-C174 VanDerWaalsContact CG-CA 3.49Å; F168-C174 HydrophobicContact CG-CB 3.64Å; F168-A177 HydrophobicContact CD1-CB 4.27Å; F168-A177 HydrophobicContact CE1-CB 3.33Å; F168-A177 HydrophobicContact CZ-CB 3.6Å; F168-C178 VanDerWaalsContact CZ-SG 3.55Å
169	M	94.3	Very high	91.7	Very high	137 Å²	137	35 Å²	35	68%	0.675	21%	0.211	S	C	*	.	S	Bend	trans	-72.6	-35.4	-179.7	-69.1	-64.6	-124.6	0	0	112.3	R143	R143-M169 PolarHBondContact NE-SD 3.05Å
170	S	94.5	Very high	91	Very high	29 Å²	29	38.8 Å²	38.8	20%	0.203	24%	0.235	C	C	.	.	S	Bend	trans	-129.7	165	-179.6	71.5	0	0	0	0	111.9	E172 D173 C174	S170-E172 VanDerWaalsContact C-N 3.28Å; S170-E172 WeakPolarHBondContact CB-OE2 3.01Å; S170-D173 WeakPolarHBondContact OG-CB 3.32Å; S170-D173 PolarHBondContact OG-N 2.65Å; S170-D173 PolarHBondContact OG-OD2 2.02Å; S170-C174 PolarHBondContact O-N 2.89Å
171	N	95.8	Very high	90.8	Very high	39 Å²	39	40.9 Å²	40.9	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-40.6	173.7	-175.8	21.3	0	0	0	110.2	W144 C153 D173 C174 L175	W144-N171 HydrophobicContact CD2-CB 3.75Å; W144-N171 HydrophobicContact CE3-CB 3.75Å; W144-N171 HydrophobicContact CG-CB 4.45Å; W144-N171 HydrophobicContact CH2-CB 3.77Å; W144-N171 HydrophobicContact CZ2-CB 3.77Å; W144-N171 HydrophobicContact CZ3-CB 3.76Å; C153-N171 WeakPolarHBondContact CB-OD1 3.35Å; N171-D173 PolarHBondContact O-N 3.27Å; N171-C174 WeakPolarHBondContact O-CB 2.92Å; N171-C174 PolarHBondContact O-N 2.96Å; N171-L175 WeakPolarHBondContact O-CG 3.2Å; N171-L175 PolarHBondContact O-N 2.92Å
172	E	93.4	Very high	91.1	Very high	85 Å²	85	39 Å²	39	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-40.5	-177.1	-63.5	66.9	-144.4	0	0	111.1	S170 C174 L175 R176 A220	S170-E172 VanDerWaalsContact C-N 3.28Å; S170-E172 WeakPolarHBondContact CB-OE2 3.01Å; E172-C174 VanDerWaalsContact C-N 3.35Å; E172-L175 PolarHBondContact O-N 2.78Å; E172-R176 VanDerWaalsContact O-CB 3.28Å; E172-R176 WeakPolarHBondContact O-CB 3.29Å; E172-R176 PolarHBondContact O-N 3.34Å; E172-A220 HydrophobicContact CB-CB 4.47Å
173	D	91.2	Very high	91.5	Very high	56 Å²	56	37.9 Å²	37.9	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-39.2	174.9	-62.6	-36	0	0	0	111.6	F168 S170 N171 R176 A177	F168-D173 HydrophobicContact CB-CB 4.35Å; F168-D173 HydrophobicContact CD1-CB 4.48Å; S170-D173 WeakPolarHBondContact OG-CB 3.32Å; S170-D173 PolarHBondContact OG-N 2.65Å; S170-D173 PolarHBondContact OG-OD2 2.02Å; N171-D173 PolarHBondContact O-N 3.27Å; D173-R176 IonicContact OD1-CZ 3.21Å; D173-R176 IonicContact OD1-NH1 3.77Å; D173-R176 IonicContact OD1-NH2 3.08Å; D173-R176 PolarHBondContact OD1-NH2 2.88Å; D173-R176 VanDerWaalsContact OD1-NH2 3.08Å; D173-A177 VanDerWaalsContact O-CB 3.3Å; D173-A177 WeakPolarHBondContact O-CB 3.33Å; D173-A177 PolarHBondContact O-N 3.45Å
174	C	95.5	Very high	91.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-49.3	173.7	174.5	0	0	0	0	111.1	W144 C153 F168 S170 N171 E172 R176 A177 C178	W144-C174 HydrophobicContact CB-CB 4.07Å; C153-C174 HydrophobicContact CB-CB 3.77Å; C153-C174 WeakPolarHBondContact CB-SG 3.08Å; C153-C174 WeakPolarHBondContact SG-CB 3.47Å; C153-C174 CovalentContact SG-SG 2.03Å; C153-C174 PolarHBondContact SG-SG 3.11Å; F168-C174 HydrophobicContact CB-CB 3.8Å; F168-C174 HydrophobicContact CD1-CB 4.46Å; F168-C174 HydrophobicContact CD2-CB 3.41Å; F168-C174 VanDerWaalsContact CD2-CB 3.41Å; F168-C174 HydrophobicContact CE2-CB 4.06Å; F168-C174 VanDerWaalsContact CG-CA 3.49Å; F168-C174 HydrophobicContact CG-CB 3.64Å; S170-C174 PolarHBondContact O-N 2.89Å; N171-C174 WeakPolarHBondContact O-CB 2.92Å; N171-C174 PolarHBondContact O-N 2.96Å; E172-C174 VanDerWaalsContact C-N 3.35Å; C174-R176 PolarHBondContact O-N 3.44Å; C174-A177 PolarHBondContact O-N 3.13Å; C174-C178 VanDerWaalsContact O-CB 3.25Å; C174-C178 WeakPolarHBondContact O-CB 3.29Å; C174-C178 PolarHBondContact O-N 2.89Å
175	L	94.3	Very high	92.2	Very high	37 Å²	37	42.7 Å²	42.7	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-45.8	179.8	-72.9	171.2	0	0	0	111	C153 N171 E172 A177 C178 N179 V182 A220	C153-L175 HydrophobicContact CB-CD2 4.26Å; C153-L175 HydrophobicContact CB-CG 4.3Å; C153-L175 PolarHBondContact SG-N 2.86Å; N171-L175 WeakPolarHBondContact O-CG 3.2Å; N171-L175 PolarHBondContact O-N 2.92Å; E172-L175 PolarHBondContact O-N 2.78Å; L175-A177 VanDerWaalsContact C-N 3.27Å; L175-A177 PolarHBondContact O-N 2.03Å; L175-C178 PolarHBondContact O-N 3.28Å; L175-N179 HydrophobicContact CB-CB 4.46Å; L175-N179 HydrophobicContact CD2-CB 3.79Å; L175-N179 WeakPolarHBondContact O-CA 3.31Å; L175-N179 WeakPolarHBondContact O-CB 3.44Å; L175-N179 PolarHBondContact O-N 3.05Å; L175-V182 HydrophobicContact CB-CG2 3.77Å; L175-V182 WeakPolarHBondContact O-CG2 3.29Å; L175-A220 HydrophobicContact CB-CB 3.9Å
176	R	91.3	Very high	92.6	Very high	42 Å²	42	45.5 Å²	45.5	16%	0.158	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-37.5	178.4	-164.9	-167.3	-53	147.9	20.2	111.9	E172 D173 C174 N222 F223 E228 V232	E172-R176 VanDerWaalsContact O-CB 3.28Å; E172-R176 WeakPolarHBondContact O-CB 3.29Å; E172-R176 PolarHBondContact O-N 3.34Å; D173-R176 IonicContact OD1-CZ 3.21Å; D173-R176 IonicContact OD1-NH1 3.77Å; D173-R176 IonicContact OD1-NH2 3.08Å; D173-R176 PolarHBondContact OD1-NH2 2.88Å; D173-R176 VanDerWaalsContact OD1-NH2 3.08Å; C174-R176 PolarHBondContact O-N 3.44Å; R176-N222 VanDerWaalsContact CZ-O 3.24Å; R176-N222 PolarHBondContact NE-O 3.12Å; R176-N222 VanDerWaalsContact NE-O 3.11Å; R176-F223 VanDerWaalsContact CD-CD1 3.41Å; R176-F223 HydrophobicContact CG-CD1 3.82Å; R176-F223 HydrophobicContact CG-CE1 3.2Å; R176-F223 HydrophobicContact CG-CZ 3.68Å; R176-E228 VanDerWaalsContact CD-OE1 3.31Å; R176-E228 WeakPolarHBondContact CD-OE1 3.19Å; R176-E228 IonicContact CZ-OE1 3.77Å; R176-E228 IonicContact NH1-OE1 3.91Å; R176-E228 PolarHBondContact NH1-OE1 3.39Å; R176-V232 VanDerWaalsContact O-CG1 3.26Å; R176-V232 WeakPolarHBondContact O-CG1 3.39Å
177	A	87.8	Confident	92.8	Very high	47 Å²	47	46.8 Å²	46.8	39%	0.388	27%	0.268	S	S	.	.	H	α-helix	trans	-76.3	-30.5	179	0	0	0	0	0	113.6	C128 F168 D173 C174 L175	C128-A177 PolarHBondContact SG-O 2.84Å; F168-A177 HydrophobicContact CD1-CB 4.27Å; F168-A177 HydrophobicContact CE1-CB 3.33Å; F168-A177 HydrophobicContact CZ-CB 3.6Å; D173-A177 VanDerWaalsContact O-CB 3.3Å; D173-A177 WeakPolarHBondContact O-CB 3.33Å; D173-A177 PolarHBondContact O-N 3.45Å; C174-A177 PolarHBondContact O-N 3.13Å; L175-A177 VanDerWaalsContact C-N 3.27Å; L175-A177 PolarHBondContact O-N 2.03Å
178	C	90.7	Very high	92.9	Very high	15 Å²	15	49.5 Å²	49.5	10%	0.101	28%	0.279	C	S	.	.	H	α-helix	trans	-128.5	-19.7	-161.5	-66.7	0	0	0	0	116.7	C128 Y146 F168 C174 L175	C128-C178 VanDerWaalsContact CA-SG 3.57Å; C128-C178 HydrophobicContact CB-CB 3.46Å; C128-C178 VanDerWaalsContact CB-CB 3.46Å; C128-C178 WeakPolarHBondContact CB-SG 3.4Å; C128-C178 WeakPolarHBondContact SG-CA 3.28Å; C128-C178 WeakPolarHBondContact SG-CB 3.44Å; C128-C178 CovalentContact SG-SG 2.02Å; C128-C178 PolarHBondContact SG-SG 3.24Å; Y146-C178 HydrophobicContact CD1-CB 4.03Å; Y146-C178 HydrophobicContact CD2-CB 3.42Å; Y146-C178 VanDerWaalsContact CD2-CB 3.42Å; Y146-C178 HydrophobicContact CE1-CB 4.5Å; Y146-C178 HydrophobicContact CE2-CB 4Å; Y146-C178 HydrophobicContact CG-CB 3.41Å; Y146-C178 VanDerWaalsContact CG-CB 3.41Å; F168-C178 VanDerWaalsContact CZ-SG 3.55Å; C174-C178 VanDerWaalsContact O-CB 3.25Å; C174-C178 WeakPolarHBondContact O-CB 3.29Å; C174-C178 PolarHBondContact O-N 2.89Å; L175-C178 PolarHBondContact O-N 3.28Å
179	N	90.6	Very high	93	Very high	23 Å²	23	51 Å²	51	12%	0.123	30%	0.295	C	S	.	.			trans	-108.9	109.8	-175.8	-167.4	-18.1	0	0	0	110.9	Y146 L175 T181 V182	Y146-N179 HydrophobicContact CE2-CB 4.15Å; L175-N179 HydrophobicContact CB-CB 4.46Å; L175-N179 HydrophobicContact CD2-CB 3.79Å; L175-N179 WeakPolarHBondContact O-CA 3.31Å; L175-N179 WeakPolarHBondContact O-CB 3.44Å; L175-N179 PolarHBondContact O-N 3.05Å; N179-T181 VanDerWaalsContact CG-OG1 3.28Å; N179-T181 PolarHBondContact ND2-OG1 3.32Å; N179-T181 PolarHBondContact O-N 3.23Å; N179-T181 VanDerWaalsContact O-N 3.11Å; N179-T181 WeakPolarHBondContact OD1-CB 3.47Å; N179-T181 WeakPolarHBondContact OD1-CG2 3.28Å; N179-T181 PolarHBondContact OD1-N 2.94Å; N179-T181 PolarHBondContact OD1-OG1 2.8Å; N179-V182 HydrophobicContact CB-CG2 4.38Å; N179-V182 WeakPolarHBondContact O-CB 3.47Å; N179-V182 WeakPolarHBondContact O-CG2 3.03Å; N179-V182 PolarHBondContact O-N 2.92Å; N179-V182 VanDerWaalsContact O-N 3.1Å
180	P	81.9	Confident	93.1	Very high	80 Å²	80	45.7 Å²	45.7	52%	0.519	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.3	-19.7	-179	26.4	-34.6	0	0	0	113.3	V182 C183	P180-V182 PolarHBondContact O-N 2.9Å; P180-C183 PolarHBondContact O-N 3.23Å
181	T	89.2	Confident	93.2	Very high	75 Å²	75	49.3 Å²	49.3	46%	0.46	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-67.7	-14.5	177.3	70.3	0	0	0	0	112.8	N179 C183 T184	N179-T181 VanDerWaalsContact CG-OG1 3.28Å; N179-T181 PolarHBondContact ND2-OG1 3.32Å; N179-T181 PolarHBondContact O-N 3.23Å; N179-T181 VanDerWaalsContact O-N 3.11Å; N179-T181 WeakPolarHBondContact OD1-CB 3.47Å; N179-T181 WeakPolarHBondContact OD1-CG2 3.28Å; N179-T181 PolarHBondContact OD1-N 2.94Å; N179-T181 PolarHBondContact OD1-OG1 2.8Å; T181-C183 PolarHBondContact O-N 2.84Å; T181-T184 PolarHBondContact O-N 3.03Å; T181-T184 VanDerWaalsContact O-N 3.11Å; T181-T184 PolarHBondContact O-OG1 3.33Å
182	V	93	Very high	93.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.1	-39.2	174.4	169.6	0	0	0	0	111.2	L175 N179 P180 T184 L185 A220 N221 F223	L175-V182 HydrophobicContact CB-CG2 3.77Å; L175-V182 WeakPolarHBondContact O-CG2 3.29Å; N179-V182 HydrophobicContact CB-CG2 4.38Å; N179-V182 WeakPolarHBondContact O-CB 3.47Å; N179-V182 WeakPolarHBondContact O-CG2 3.03Å; N179-V182 PolarHBondContact O-N 2.92Å; N179-V182 VanDerWaalsContact O-N 3.1Å; P180-V182 PolarHBondContact O-N 2.9Å; V182-T184 PolarHBondContact O-N 3.11Å; V182-T184 VanDerWaalsContact O-N 3.15Å; V182-L185 WeakPolarHBondContact O-CB 3.26Å; V182-L185 PolarHBondContact O-N 3.19Å; V182-L185 VanDerWaalsContact O-N 3.16Å; V182-A220 HydrophobicContact CB-CB 4.33Å; V182-A220 HydrophobicContact CG1-CB 3.75Å; V182-A220 VanDerWaalsContact CG1-O 3.24Å; V182-A220 WeakPolarHBondContact CG1-O 3.02Å; V182-A220 HydrophobicContact CG2-CB 3.6Å; V182-N221 HydrophobicContact CG1-CB 4.23Å; V182-N221 WeakPolarHBondContact O-CB 3.4Å; V182-F223 HydrophobicContact CG1-CZ 4.41Å
183	C	93.8	Very high	93.5	Very high	1 Å²	1	54 Å²	54	1%	0.007	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-69.6	-12	-177.6	-54.2	0	0	0	0	113.4	P180 T181 Y201 C233 T236	P180-C183 PolarHBondContact O-N 3.23Å; T181-C183 PolarHBondContact O-N 2.84Å; C183-Y201 HydrophobicContact CB-CD1 3.89Å; C183-Y201 HydrophobicContact CB-CG 4.38Å; C183-Y201 WeakPolarHBondContact O-CD1 3.35Å; C183-C233 HydrophobicContact CB-CB 3.67Å; C183-C233 WeakPolarHBondContact CB-SG 3.14Å; C183-C233 WeakPolarHBondContact SG-CA 2.93Å; C183-C233 WeakPolarHBondContact SG-CB 3.01Å; C183-C233 CovalentContact SG-SG 2.04Å; C183-C233 PolarHBondContact SG-SG 3.2Å; C183-T236 HydrophobicContact CB-CG2 4.06Å
184	T	93.6	Very high	93.8	Very high	69 Å²	69	53.5 Å²	53.5	42%	0.423	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-98.1	-5.8	176.6	63.6	0	0	0	0	113.4	T181 V182	T181-T184 PolarHBondContact O-N 3.03Å; T181-T184 VanDerWaalsContact O-N 3.11Å; T181-T184 PolarHBondContact O-OG1 3.33Å; V182-T184 PolarHBondContact O-N 3.11Å; V182-T184 VanDerWaalsContact O-N 3.15Å
185	L	94.8	Very high	93.9	Very high	67 Å²	67	61.7 Å²	61.7	35%	0.351	37%	0.365	S	S	.	.	S	Bend	trans	-72.7	155.5	176.2	-55.6	175.7	0	0	0	111	V182 N219 N221	V182-L185 WeakPolarHBondContact O-CB 3.26Å; V182-L185 PolarHBondContact O-N 3.19Å; V182-L185 VanDerWaalsContact O-N 3.16Å; L185-N219 HydrophobicContact CD1-CB 4.07Å; L185-N221 HydrophobicContact CB-CB 4Å; L185-N221 PolarHBondContact O-ND2 2.86Å
186	T	95.3	Very high	94.1	Very high	108 Å²	108	62.6 Å²	62.6	66%	0.663	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-79.1	141.6	171.3	50.3	0	0	0	0	110.8	E188 N219	T186-E188 PolarHBondContact O-N 3.43Å; T186-N219 PolarHBondContact O-ND2 3.48Å; T186-N219 PolarHBondContact O-OD1 3.39Å
187	A	97.1	Very high	94.4	Very high	26 Å²	26	63.8 Å²	63.8	22%	0.215	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.5	133.4	170.6	0	0	0	0	0	110.7	A200 Y209 F211	A187-A200 HydrophobicContact CB-CB 3.46Å; A187-A200 VanDerWaalsContact CB-CB 3.46Å; A187-Y209 HydrophobicContact CB-CE2 4.42Å; A187-Y209 WeakPolarHBondContact CB-OH 3.34Å; A187-F211 HydrophobicContact CB-CB 4.45Å; A187-F211 HydrophobicContact CB-CD1 3.94Å; A187-F211 HydrophobicContact CB-CD2 4.03Å; A187-F211 HydrophobicContact CB-CE1 4.14Å; A187-F211 HydrophobicContact CB-CE2 4.23Å; A187-F211 HydrophobicContact CB-CG 3.88Å; A187-F211 HydrophobicContact CB-CZ 4.27Å
188	E	97.5	Very high	94.9	Very high	88 Å²	88	64.4 Å²	64.4	41%	0.411	38%	0.375	S	S	.	.			trans	-128.3	119.4	-175.3	-171.5	-176.6	159.1	0	0	110.4	T186 G190 N219	T186-E188 PolarHBondContact O-N 3.43Å; E188-G190 VanDerWaalsContact C-N 3.28Å; E188-G190 PolarHBondContact O-N 3.21Å; E188-N219 WeakPolarHBondContact CB-ND2 3.44Å; E188-N219 PolarHBondContact OE2-ND2 3.43Å
189	A	97.3	Very high	95.3	Very high	47 Å²	47	66.5 Å²	66.5	39%	0.388	38%	0.381	S	S	.	.			trans	-68.3	-29.9	177.9	0	0	0	0	0	112.2	V212 Y213 G214	A189-V212 WeakPolarHBondContact CB-O 3.13Å; A189-Y213 VanDerWaalsContact O-CD2 3.27Å; A189-Y213 WeakPolarHBondContact O-CD2 3.02Å; A189-G214 VanDerWaalsContact O-CA 3.27Å; A189-G214 WeakPolarHBondContact O-CA 3.31Å; A189-G214 PolarHBondContact O-N 2.87Å
190	G	96.6	Very high	95.6	Very high	24 Å²	24	65.4 Å²	65.4	25%	0.247	38%	0.375	C	S	.	.			trans	74.2	176.7	-173	0	0	0	0	0	113.2	E188 C216	E188-G190 VanDerWaalsContact C-N 3.28Å; E188-G190 PolarHBondContact O-N 3.21Å; G190-C216 WeakPolarHBondContact CA-O 3.33Å
191	P	96.8	Very high	96.3	Very high	106 Å²	106	61.8 Å²	61.8	69%	0.688	35%	0.351	S	S	*	.	S	Bend	trans	-86.1	-7	-169.8	33.2	-36.4	0	0	0	114.9
192	C	98.1	Very high	96.6	Very high	55 Å²	55	60.2 Å²	60.2	37%	0.372	34%	0.339	S	S	.	.	S	Bend	trans	-83.7	161.4	178	-72	0	0	0	0	112.2	G214 C216	C192-G214 CarbonylContact C-O 3.19Å; C192-G214 WeakPolarHBondContact CB-O 3.23Å; C192-G214 WeakPolarHBondContact O-CA 3.46Å; C192-C216 HydrophobicContact CB-CB 3.81Å; C192-C216 WeakPolarHBondContact CB-SG 3.48Å; C192-C216 PolarHBondContact N-SG 2.97Å; C192-C216 WeakPolarHBondContact SG-CB 3.37Å; C192-C216 CovalentContact SG-SG 2.01Å; C192-C216 PolarHBondContact SG-SG 3.48Å
193	N	96.4	Very high	96.4	Very high	167 Å²	167	64 Å²	64	89%	0.893	36%	0.356	S	S	*	.			trans	-111.7	31.6	-170.7	-62.1	-47.8	0	0	0	113.7	G214	N193-G214 PolarHBondContact N-O 2.9Å
194	A	97.6	Very high	96.3	Very high	46 Å²	46	69.8 Å²	69.8	38%	0.38	39%	0.386	S	S	.	.			trans	-79.8	155.7	169.5	0	0	0	0	0	110.9	I196 G214	A194-I196 HydrophobicContact CB-CD1 3.97Å; A194-I196 HydrophobicContact CB-CG1 3.87Å; A194-G214 WeakPolarHBondContact CA-O 3.24Å; A194-G214 WeakPolarHBondContact CB-O 3.3Å; A194-G214 PolarHBondContact N-O 3.34Å; A194-G214 WeakPolarHBondContact O-CA 3.33Å
195	Y	97.8	Very high	96.2	Very high	172 Å²	172	71.6 Å²	71.6	68%	0.675	39%	0.392	S	S	*	.			trans	-105	91.8	171	-174.7	-89.2	0	0	0	108.8	P197 V212	Y195-P197 HydrophobicContact CD1-CG 4.31Å; Y195-P197 HydrophobicContact CE1-CG 3.85Å; Y195-V212 HydrophobicContact CD2-CG1 3.63Å; Y195-V212 HydrophobicContact CD2-CG2 4.08Å; Y195-V212 HydrophobicContact CE2-CB 4.49Å; Y195-V212 HydrophobicContact CE2-CG1 4.03Å; Y195-V212 HydrophobicContact CE2-CG2 3.58Å; Y195-V212 HydrophobicContact CG-CG1 4.14Å
196	I	98.2	Very high	96.1	Very high	56 Å²	56	69.7 Å²	69.7	29%	0.287	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	101.8	-178.5	-51.4	179.6	0	0	0	108.7	A194 R198 Y213	A194-I196 HydrophobicContact CB-CD1 3.97Å; A194-I196 HydrophobicContact CB-CG1 3.87Å; I196-R198 HydrophobicContact CG2-CG 4.2Å; I196-R198 PolarHBondContact O-N 2.94Å; I196-Y213 HydrophobicContact CB-CD1 4.46Å; I196-Y213 WeakPolarHBondContact CB-O 3.38Å; I196-Y213 HydrophobicContact CD1-CD1 4.38Å; I196-Y213 PolarHBondContact N-O 3.27Å; I196-Y213 VanDerWaalsContact N-O 3.08Å; I196-Y213 PolarHBondContact O-N 2.95Å
197	P	98.4	Very high	96.1	Very high	66 Å²	66	71.9 Å²	71.9	43%	0.429	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	127.4	173.9	-23.8	34.6	0	0	0	110.8	Y195 M210	Y195-P197 HydrophobicContact CD1-CG 4.31Å; Y195-P197 HydrophobicContact CE1-CG 3.85Å; P197-M210 HydrophobicContact CB-CG 4.5Å; P197-M210 HydrophobicContact CB-SD 4.17Å
198	R	98.1	Very high	96.1	Very high	60 Å²	60	71.2 Å²	71.2	23%	0.226	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	166.9	179.5	-67.9	-66.7	-177.7	85.4	-2.8	109.7	I196 M210 F211 Y213 N222 F223	I196-R198 HydrophobicContact CG2-CG 4.2Å; I196-R198 PolarHBondContact O-N 2.94Å; R198-M210 CarbonylContact O-C 3.52Å; R198-M210 WeakPolarHBondContact O-CA 3.3Å; R198-M210 WeakPolarHBondContact O-CG 3.48Å; R198-F211 HydrophobicContact CB-CD1 4.1Å; R198-F211 HydrophobicContact CB-CE1 3.56Å; R198-F211 HydrophobicContact CB-CZ 3.87Å; R198-F211 PolarHBondContact N-O 2.7Å; R198-F211 PolarHBondContact O-N 3.48Å; R198-F211 VanDerWaalsContact O-O 3.11Å; R198-Y213 HydrophobicContact CG-CD1 4.38Å; R198-Y213 HydrophobicContact CG-CG 4.33Å; R198-N222 VanDerWaalsContact CB-OD1 3.3Å; R198-N222 WeakPolarHBondContact CB-OD1 3.24Å; R198-N222 VanDerWaalsContact CD-OD1 3.22Å; R198-N222 WeakPolarHBondContact CD-OD1 3.41Å; R198-N222 WeakPolarHBondContact CG-OD1 3.46Å; R198-N222 PolarHBondContact NH1-OD1 3.5Å; R198-F223 CarbonylContact C-O 3.55Å; R198-F223 WeakPolarHBondContact CA-O 3.4Å; R198-F223 WeakPolarHBondContact CD-O 3.49Å
199	W	98.4	Very high	96.1	Very high	60 Å²	60	70.8 Å²	70.8	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.4	176.6	-69	81.5	0	0	0	110.4	C208 Y209 M210 N222 F223 T225 Q226 C229	W199-C208 HydrophobicContact CE3-CB 4.07Å; W199-Y209 CarbonylContact C-O 3.58Å; W199-Y209 WeakPolarHBondContact CA-O 3.32Å; W199-Y209 VanDerWaalsContact CE3-C 3.44Å; W199-M210 HydrophobicContact CD2-CB 4.34Å; W199-M210 HydrophobicContact CE3-CB 4.47Å; W199-M210 HydrophobicContact CH2-CB 4.42Å; W199-M210 HydrophobicContact CZ2-CB 4.26Å; W199-N222 WeakPolarHBondContact O-CA 3.44Å; W199-F223 HydrophobicContact CB-CB 4.16Å; W199-F223 PolarHBondContact N-O 2.98Å; W199-F223 WeakPolarHBondContact O-CD2 2.94Å; W199-F223 PolarHBondContact O-N 3.14Å; W199-T225 VanDerWaalsContact CD1-C 3.46Å; W199-Q226 VanDerWaalsContact CD1-N 3.31Å; W199-Q226 HydrophobicContact CD2-CB 3.63Å; W199-Q226 HydrophobicContact CD2-CG 4.16Å; W199-Q226 HydrophobicContact CE3-CB 3.79Å; W199-Q226 HydrophobicContact CE3-CG 3.76Å; W199-Q226 HydrophobicContact CG-CB 4.25Å; W199-Q226 HydrophobicContact CH2-CB 3.87Å; W199-Q226 HydrophobicContact CH2-CG 3.86Å; W199-Q226 HydrophobicContact CZ2-CB 3.73Å; W199-Q226 HydrophobicContact CZ2-CG 4.26Å; W199-Q226 HydrophobicContact CZ3-CB 3.9Å; W199-Q226 HydrophobicContact CZ3-CG 3.59Å; W199-C229 HydrophobicContact CB-CB 4.05Å
200	A	97.5	Very high	96.2	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.3	174.1	0	0	0	0	0	109.5	A187 C208 Y209 F211 N221	A187-A200 HydrophobicContact CB-CB 3.46Å; A187-A200 VanDerWaalsContact CB-CB 3.46Å; A200-C208 CarbonylContact O-C 3.52Å; A200-C208 VanDerWaalsContact O-CA 3.27Å; A200-C208 WeakPolarHBondContact O-CA 3.17Å; A200-Y209 HydrophobicContact CB-CE1 3.98Å; A200-Y209 PolarHBondContact N-O 2.82Å; A200-Y209 WeakPolarHBondContact O-CD1 3.29Å; A200-Y209 PolarHBondContact O-N 3.17Å; A200-F211 HydrophobicContact CB-CD1 3.73Å; A200-F211 HydrophobicContact CB-CE1 3.73Å; A200-N221 WeakPolarHBondContact CA-OD1 3.31Å; A200-N221 VanDerWaalsContact CB-O 3.29Å; A200-N221 WeakPolarHBondContact CB-O 2.96Å
201	Y	96.1	Very high	96.2	Very high	4 Å²	4	73.5 Å²	73.5	2%	0.016	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.1	174.4	-167.8	-105.9	0	0	0	110.3	C183 F203 G206 N221 C233	C183-Y201 HydrophobicContact CB-CD1 3.89Å; C183-Y201 HydrophobicContact CB-CG 4.38Å; C183-Y201 WeakPolarHBondContact O-CD1 3.35Å; Y201-F203 HydrophobicContact CD1-CB 4.28Å; Y201-F203 HydrophobicContact CE1-CB 4.28Å; Y201-G206 VanDerWaalsContact OH-CA 3.32Å; Y201-G206 WeakPolarHBondContact OH-CA 3.49Å; Y201-G206 PolarHBondContact OH-O 3.23Å; Y201-N221 PolarHBondContact N-OD1 2.94Å; Y201-N221 PolarHBondContact O-ND2 3.01Å; Y201-C233 HydrophobicContact CD1-CB 3.9Å; Y201-C233 HydrophobicContact CD2-CB 3.36Å; Y201-C233 HydrophobicContact CE1-CB 4.33Å; Y201-C233 HydrophobicContact CE2-CB 3.87Å; Y201-C233 HydrophobicContact CG-CB 3.36Å
202	N	95.4	Very high	96.3	Very high	41 Å²	41	71 Å²	71	22%	0.219	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	105.2	167	-172.3	-45.6	0	0	0	108.3	L204 L205 G206 R207 Y209	N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 PolarHBondContact O-N 2.76Å; N202-L204 WeakPolarHBondContact OD1-CB 2.99Å; N202-L204 PolarHBondContact OD1-N 3.2Å; N202-L205 HydrophobicContact CB-CB 4.12Å; N202-L205 HydrophobicContact CB-CD1 4.44Å; N202-L205 HydrophobicContact CB-CG 4.44Å; N202-L205 PolarHBondContact O-N 3.05Å; N202-L205 PolarHBondContact OD1-N 2.02Å; N202-G206 WeakPolarHBondContact O-CA 3.26Å; N202-G206 PolarHBondContact O-N 2.98Å; N202-R207 PolarHBondContact N-O 3.46Å; N202-R207 PolarHBondContact O-N 2.79Å; N202-Y209 HydrophobicContact CB-CD1 3.64Å; N202-Y209 HydrophobicContact CB-CE1 3.62Å
203	F	90.4	Very high	96.3	Very high	80 Å²	80	69.6 Å²	69.6	35%	0.351	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.9	-177.8	79.9	-88.4	0	0	0	113.6	Y201	Y201-F203 HydrophobicContact CD1-CB 4.28Å; Y201-F203 HydrophobicContact CE1-CB 4.28Å
204	L	91	Very high	96.4	Very high	124 Å²	124	61.9 Å²	61.9	65%	0.649	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-40.5	178.7	-65	172	0	0	0	111.5	N202	N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 PolarHBondContact O-N 2.76Å; N202-L204 WeakPolarHBondContact OD1-CB 2.99Å; N202-L204 PolarHBondContact OD1-N 3.2Å
205	L	91.8	Very high	96.3	Very high	106 Å²	106	61.2 Å²	61.2	56%	0.555	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.8	178.4	-60.9	-179.8	0	0	0	112.9	N202 R207	N202-L205 HydrophobicContact CB-CB 4.12Å; N202-L205 HydrophobicContact CB-CD1 4.44Å; N202-L205 HydrophobicContact CB-CG 4.44Å; N202-L205 PolarHBondContact O-N 3.05Å; N202-L205 PolarHBondContact OD1-N 2.02Å; L205-R207 VanDerWaalsContact C-N 3.3Å; L205-R207 HydrophobicContact CB-CG 3.98Å; L205-R207 PolarHBondContact O-N 2.83Å
206	G	92.4	Very high	96.2	Very high	28 Å²	28	54.9 Å²	54.9	29%	0.289	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	31	-178.2	0	0	0	0	0	114	Y201 N202	Y201-G206 VanDerWaalsContact OH-CA 3.32Å; Y201-G206 WeakPolarHBondContact OH-CA 3.49Å; Y201-G206 PolarHBondContact OH-O 3.23Å; N202-G206 WeakPolarHBondContact O-CA 3.26Å; N202-G206 PolarHBondContact O-N 2.98Å
207	R	95	Very high	96	Very high	154 Å²	154	54.8 Å²	54.8	58%	0.581	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.9	-176.1	69.7	-179.1	-178.3	179	-0	113.3	N202 L205	N202-R207 PolarHBondContact N-O 3.46Å; N202-R207 PolarHBondContact O-N 2.79Å; L205-R207 VanDerWaalsContact C-N 3.3Å; L205-R207 HydrophobicContact CB-CG 3.98Å; L205-R207 PolarHBondContact O-N 2.83Å
208	C	97.7	Very high	95.7	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.1	167.9	-64.7	0	0	0	0	111.4	W199 A200 C229 E230	W199-C208 HydrophobicContact CE3-CB 4.07Å; A200-C208 CarbonylContact O-C 3.52Å; A200-C208 VanDerWaalsContact O-CA 3.27Å; A200-C208 WeakPolarHBondContact O-CA 3.17Å; C208-C229 HydrophobicContact CB-CB 3.85Å; C208-C229 WeakPolarHBondContact CB-SG 3.26Å; C208-C229 WeakPolarHBondContact SG-CB 3.23Å; C208-C229 CovalentContact SG-SG 2.03Å; C208-C229 PolarHBondContact SG-SG 3.3Å; C208-E230 HydrophobicContact CB-CG 4.15Å; C208-E230 PolarHBondContact SG-N 3.45Å
209	Y	97.6	Very high	95.6	Very high	80 Å²	80	51.4 Å²	51.4	31%	0.314	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.4	174.9	69.9	-78.5	0	0	0	110.2	A187 W199 A200 N202 F211	A187-Y209 HydrophobicContact CB-CE2 4.42Å; A187-Y209 WeakPolarHBondContact CB-OH 3.34Å; W199-Y209 CarbonylContact C-O 3.58Å; W199-Y209 WeakPolarHBondContact CA-O 3.32Å; W199-Y209 VanDerWaalsContact CE3-C 3.44Å; A200-Y209 HydrophobicContact CB-CE1 3.98Å; A200-Y209 PolarHBondContact N-O 2.82Å; A200-Y209 WeakPolarHBondContact O-CD1 3.29Å; A200-Y209 PolarHBondContact O-N 3.17Å; N202-Y209 HydrophobicContact CB-CD1 3.64Å; N202-Y209 HydrophobicContact CB-CE1 3.62Å; Y209-F211 HydrophobicContact CE2-CB 4.3Å
210	M	98.3	Very high	95.5	Very high	103 Å²	103	48.8 Å²	48.8	51%	0.507	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.9	177.1	-172.2	-165.8	70.2	0	0	110.6	P197 R198 W199	P197-M210 HydrophobicContact CB-CG 4.5Å; P197-M210 HydrophobicContact CB-SD 4.17Å; R198-M210 CarbonylContact O-C 3.52Å; R198-M210 WeakPolarHBondContact O-CA 3.3Å; R198-M210 WeakPolarHBondContact O-CG 3.48Å; W199-M210 HydrophobicContact CD2-CB 4.34Å; W199-M210 HydrophobicContact CE3-CB 4.47Å; W199-M210 HydrophobicContact CH2-CB 4.42Å; W199-M210 HydrophobicContact CZ2-CB 4.26Å
211	F	98.1	Very high	95.4	Very high	25 Å²	25	48.8 Å²	48.8	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	167.9	168.4	78.2	-74.4	0	0	0	110.2	A187 R198 A200 Y209 N222	A187-F211 HydrophobicContact CB-CB 4.45Å; A187-F211 HydrophobicContact CB-CD1 3.94Å; A187-F211 HydrophobicContact CB-CD2 4.03Å; A187-F211 HydrophobicContact CB-CE1 4.14Å; A187-F211 HydrophobicContact CB-CE2 4.23Å; A187-F211 HydrophobicContact CB-CG 3.88Å; A187-F211 HydrophobicContact CB-CZ 4.27Å; R198-F211 HydrophobicContact CB-CD1 4.1Å; R198-F211 HydrophobicContact CB-CE1 3.56Å; R198-F211 HydrophobicContact CB-CZ 3.87Å; R198-F211 PolarHBondContact N-O 2.7Å; R198-F211 PolarHBondContact O-N 3.48Å; R198-F211 VanDerWaalsContact O-O 3.11Å; A200-F211 HydrophobicContact CB-CD1 3.73Å; A200-F211 HydrophobicContact CB-CE1 3.73Å; Y209-F211 HydrophobicContact CE2-CB 4.3Å; F211-N222 HydrophobicContact CE1-CB 4.46Å; F211-N222 HydrophobicContact CZ-CB 4.01Å
212	V	98.4	Very high	95.5	Very high	54 Å²	54	49 Å²	49	33%	0.327	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.8	176.3	-178.3	0	0	0	0	109	A189 Y195	A189-V212 WeakPolarHBondContact CB-O 3.13Å; Y195-V212 HydrophobicContact CD2-CG1 3.63Å; Y195-V212 HydrophobicContact CD2-CG2 4.08Å; Y195-V212 HydrophobicContact CE2-CB 4.49Å; Y195-V212 HydrophobicContact CE2-CG1 4.03Å; Y195-V212 HydrophobicContact CE2-CG2 3.58Å; Y195-V212 HydrophobicContact CG-CG1 4.14Å
213	Y	98.2	Very high	95.5	Very high	25 Å²	25	47 Å²	47	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	171.2	177.1	-125.3	0	0	0	110.2	A189 I196 R198 G215 C216 G217 N222	A189-Y213 VanDerWaalsContact O-CD2 3.27Å; A189-Y213 WeakPolarHBondContact O-CD2 3.02Å; I196-Y213 HydrophobicContact CB-CD1 4.46Å; I196-Y213 WeakPolarHBondContact CB-O 3.38Å; I196-Y213 HydrophobicContact CD1-CD1 4.38Å; I196-Y213 PolarHBondContact N-O 3.27Å; I196-Y213 VanDerWaalsContact N-O 3.08Å; I196-Y213 PolarHBondContact O-N 2.95Å; R198-Y213 HydrophobicContact CG-CD1 4.38Å; R198-Y213 HydrophobicContact CG-CG 4.33Å; Y213-G215 PolarHBondContact O-N 3.47Å; Y213-C216 WeakPolarHBondContact OH-CA 3.22Å; Y213-C216 PolarHBondContact OH-N 3.02Å; Y213-G217 PolarHBondContact OH-N 3.07Å; Y213-G217 PolarHBondContact OH-O 2.81Å; Y213-N222 VanDerWaalsContact CD2-ND2 3.27Å; Y213-N222 WeakPolarHBondContact CD2-ND2 3.32Å; Y213-N222 VanDerWaalsContact CG-ND2 3.31Å
214	G	97.5	Very high	95.8	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	28%	0.28	C	S	.	.			trans	-71.8	-8.4	-178.9	0	0	0	0	0	114.4	A189 C192 N193 A194	A189-G214 VanDerWaalsContact O-CA 3.27Å; A189-G214 WeakPolarHBondContact O-CA 3.31Å; A189-G214 PolarHBondContact O-N 2.87Å; C192-G214 CarbonylContact C-O 3.19Å; C192-G214 WeakPolarHBondContact CB-O 3.23Å; C192-G214 WeakPolarHBondContact O-CA 3.46Å; N193-G214 PolarHBondContact N-O 2.9Å; A194-G214 WeakPolarHBondContact CA-O 3.24Å; A194-G214 WeakPolarHBondContact CB-O 3.3Å; A194-G214 PolarHBondContact N-O 3.34Å; A194-G214 WeakPolarHBondContact O-CA 3.33Å
215	G	96.1	Very high	96.1	Very high	33 Å²	33	47.6 Å²	47.6	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	94.3	-6	174.6	0	0	0	0	0	115.8	Y213	Y213-G215 PolarHBondContact O-N 3.47Å
216	C	96.1	Very high	96.3	Very high	38 Å²	38	46.5 Å²	46.5	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-146.2	156.1	169.5	78	0	0	0	0	111.8	G190 C192 Y213	G190-C216 WeakPolarHBondContact CA-O 3.33Å; C192-C216 HydrophobicContact CB-CB 3.81Å; C192-C216 WeakPolarHBondContact CB-SG 3.48Å; C192-C216 PolarHBondContact N-SG 2.97Å; C192-C216 WeakPolarHBondContact SG-CB 3.37Å; C192-C216 CovalentContact SG-SG 2.01Å; C192-C216 PolarHBondContact SG-SG 3.48Å; Y213-C216 WeakPolarHBondContact OH-CA 3.22Å; Y213-C216 PolarHBondContact OH-N 3.02Å
217	G	93.4	Very high	96.5	Very high	55 Å²	55	49.1 Å²	49.1	57%	0.567	28%	0.275	S	S	*	.	S	Bend	trans	71.5	-140.8	-178.3	0	0	0	0	0	112.4	Y213	Y213-G217 PolarHBondContact OH-N 3.07Å; Y213-G217 PolarHBondContact OH-O 2.81Å
218	G	93.1	Very high	96.4	Very high	22 Å²	22	44.3 Å²	44.3	23%	0.227	26%	0.259	C	S	.	.			trans	74.4	-167.3	-176.5	0	0	0	0	0	113.1
219	N	95.4	Very high	96.4	Very high	32 Å²	32	43.8 Å²	43.8	17%	0.171	26%	0.256	C	S	.	.			trans	-131.3	-179.8	178.5	64.5	63.1	0	0	0	111.4	L185 T186 E188 N221 N222	L185-N219 HydrophobicContact CD1-CB 4.07Å; T186-N219 PolarHBondContact O-ND2 3.48Å; T186-N219 PolarHBondContact O-OD1 3.39Å; E188-N219 WeakPolarHBondContact CB-ND2 3.44Å; E188-N219 PolarHBondContact OE2-ND2 3.43Å; N219-N221 VanDerWaalsContact C-N 3.26Å; N219-N221 PolarHBondContact O-N 2.91Å; N219-N221 WeakPolarHBondContact OD1-CB 3.38Å; N219-N221 PolarHBondContact OD1-N 3.3Å; N219-N222 WeakPolarHBondContact O-CB 3.41Å
220	A	95.3	Very high	96.2	Very high	5 Å²	5	43 Å²	43	4%	0.041	26%	0.255	C	S	.	.	S	Bend	trans	-71	-12.1	-172.1	0	0	0	0	0	114.8	E172 L175 V182 N222	E172-A220 HydrophobicContact CB-CB 4.47Å; L175-A220 HydrophobicContact CB-CB 3.9Å; V182-A220 HydrophobicContact CB-CB 4.33Å; V182-A220 HydrophobicContact CG1-CB 3.75Å; V182-A220 VanDerWaalsContact CG1-O 3.24Å; V182-A220 WeakPolarHBondContact CG1-O 3.02Å; V182-A220 HydrophobicContact CG2-CB 3.6Å; A220-N222 PolarHBondContact O-N 2.84Å
221	N	97.1	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.			trans	-78.1	58.9	174.1	-166.5	12.5	0	0	0	110.5	V182 L185 A200 Y201 N219 F223	V182-N221 HydrophobicContact CG1-CB 4.23Å; V182-N221 WeakPolarHBondContact O-CB 3.4Å; L185-N221 HydrophobicContact CB-CB 4Å; L185-N221 PolarHBondContact O-ND2 2.86Å; A200-N221 WeakPolarHBondContact CA-OD1 3.31Å; A200-N221 VanDerWaalsContact CB-O 3.29Å; A200-N221 WeakPolarHBondContact CB-O 2.96Å; Y201-N221 PolarHBondContact N-OD1 2.94Å; Y201-N221 PolarHBondContact O-ND2 3.01Å; N219-N221 VanDerWaalsContact C-N 3.26Å; N219-N221 PolarHBondContact O-N 2.91Å; N219-N221 WeakPolarHBondContact OD1-CB 3.38Å; N219-N221 PolarHBondContact OD1-N 3.3Å; N221-F223 WeakPolarHBondContact OD1-CE2 3.35Å
222	N	97	Very high	95.4	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	28%	0.277	C	S	.	.			trans	-150.9	100.3	-170.5	-176.4	-23	0	0	0	108	R176 R198 W199 F211 Y213 N219 A220	R176-N222 VanDerWaalsContact CZ-O 3.24Å; R176-N222 PolarHBondContact NE-O 3.12Å; R176-N222 VanDerWaalsContact NE-O 3.11Å; R198-N222 VanDerWaalsContact CB-OD1 3.3Å; R198-N222 WeakPolarHBondContact CB-OD1 3.24Å; R198-N222 VanDerWaalsContact CD-OD1 3.22Å; R198-N222 WeakPolarHBondContact CD-OD1 3.41Å; R198-N222 WeakPolarHBondContact CG-OD1 3.46Å; R198-N222 PolarHBondContact NH1-OD1 3.5Å; W199-N222 WeakPolarHBondContact O-CA 3.44Å; F211-N222 HydrophobicContact CE1-CB 4.46Å; F211-N222 HydrophobicContact CZ-CB 4.01Å; Y213-N222 VanDerWaalsContact CD2-ND2 3.27Å; Y213-N222 WeakPolarHBondContact CD2-ND2 3.32Å; Y213-N222 VanDerWaalsContact CG-ND2 3.31Å; N219-N222 WeakPolarHBondContact O-CB 3.41Å; A220-N222 PolarHBondContact O-N 2.84Å
223	F	96.9	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-112.4	147.5	-173.7	-60	-94.3	0	0	0	110.2	R176 V182 R198 W199 N221 E228 C229 V232	R176-F223 VanDerWaalsContact CD-CD1 3.41Å; R176-F223 HydrophobicContact CG-CD1 3.82Å; R176-F223 HydrophobicContact CG-CE1 3.2Å; R176-F223 HydrophobicContact CG-CZ 3.68Å; V182-F223 HydrophobicContact CG1-CZ 4.41Å; R198-F223 CarbonylContact C-O 3.55Å; R198-F223 WeakPolarHBondContact CA-O 3.4Å; R198-F223 WeakPolarHBondContact CD-O 3.49Å; W199-F223 HydrophobicContact CB-CB 4.16Å; W199-F223 PolarHBondContact N-O 2.98Å; W199-F223 WeakPolarHBondContact O-CD2 2.94Å; W199-F223 PolarHBondContact O-N 3.14Å; N221-F223 WeakPolarHBondContact OD1-CE2 3.35Å; F223-E228 HydrophobicContact CB-CB 4.47Å; F223-E228 HydrophobicContact CD1-CB 4.31Å; F223-E228 HydrophobicContact CD1-CG 3.85Å; F223-C229 HydrophobicContact CB-CB 3.78Å; F223-C229 HydrophobicContact CD1-CB 4.11Å; F223-C229 HydrophobicContact CD2-CB 3.58Å; F223-C229 HydrophobicContact CE2-CB 4.18Å; F223-C229 HydrophobicContact CG-CB 3.56Å; F223-V232 HydrophobicContact CE1-CB 3.65Å; F223-V232 HydrophobicContact CE1-CG1 3.83Å; F223-V232 HydrophobicContact CE1-CG2 3.84Å; F223-V232 HydrophobicContact CZ-CB 4.03Å; F223-V232 HydrophobicContact CZ-CG1 3.87Å
224	E	95.6	Very high	94.7	Very high	149 Å²	149	48.1 Å²	48.1	70%	0.696	28%	0.278	S	S	*	.	S	Bend	trans	-75	-35.1	-179.6	-173.8	169.7	-161.6	0	0	111.3	E228	E224-E228 PolarHBondContact N-OE2 3.35Å
225	T	97	Very high	93.9	Very high	67 Å²	67	53.5 Å²	53.5	41%	0.411	32%	0.316	S	S	.	.	S	Bend	trans	-128.1	154	-178.4	70.6	0	0	0	0	112.3	W199 S227 E228 C229	W199-T225 VanDerWaalsContact CD1-C 3.46Å; T225-S227 VanDerWaalsContact C-N 3.29Å; T225-S227 PolarHBondContact O-N 3.14Å; T225-E228 PolarHBondContact O-N 3.07Å; T225-E228 WeakPolarHBondContact OG1-CB 3.12Å; T225-E228 PolarHBondContact OG1-N 3.05Å; T225-E228 VanDerWaalsContact OG1-N 3.16Å; T225-C229 PolarHBondContact O-N 3.28Å
226	Q	97.5	Very high	92.6	Very high	84 Å²	84	53.9 Å²	53.9	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-56.2	-45.5	173.5	-175.8	176.8	-10.9	0	0	111.4	W199 E228 C229 E230	W199-Q226 VanDerWaalsContact CD1-N 3.31Å; W199-Q226 HydrophobicContact CD2-CB 3.63Å; W199-Q226 HydrophobicContact CD2-CG 4.16Å; W199-Q226 HydrophobicContact CE3-CB 3.79Å; W199-Q226 HydrophobicContact CE3-CG 3.76Å; W199-Q226 HydrophobicContact CG-CB 4.25Å; W199-Q226 HydrophobicContact CH2-CB 3.87Å; W199-Q226 HydrophobicContact CH2-CG 3.86Å; W199-Q226 HydrophobicContact CZ2-CB 3.73Å; W199-Q226 HydrophobicContact CZ2-CG 4.26Å; W199-Q226 HydrophobicContact CZ3-CB 3.9Å; W199-Q226 HydrophobicContact CZ3-CG 3.59Å; Q226-E228 VanDerWaalsContact C-N 3.32Å; Q226-E228 PolarHBondContact O-N 3.41Å; Q226-C229 WeakPolarHBondContact O-CB 3.42Å; Q226-C229 PolarHBondContact O-N 3.41Å; Q226-E230 HydrophobicContact CG-CG 4.29Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.26Å; Q226-E230 PolarHBondContact NE2-OE1 3.48Å; Q226-E230 WeakPolarHBondContact O-CB 3.2Å; Q226-E230 WeakPolarHBondContact O-CG 3.41Å; Q226-E230 PolarHBondContact O-N 3.12Å
227	S	96	Very high	91	Very high	82 Å²	82	61 Å²	61	57%	0.573	33%	0.333	S	S	*	.	H	α-helix	trans	-63	-37.2	-178.4	-176.4	0	0	0	0	112.3	T225 K231	T225-S227 VanDerWaalsContact C-N 3.29Å; T225-S227 PolarHBondContact O-N 3.14Å; S227-K231 WeakPolarHBondContact O-CB 3.24Å; S227-K231 PolarHBondContact O-N 3.49Å
228	E	93.5	Very high	89.2	Confident	54 Å²	54	61.5 Å²	61.5	25%	0.252	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-48.3	173.9	-169.1	-162.5	166	0	0	110.9	R176 F223 E224 T225 Q226 E230 K231 V232	R176-E228 VanDerWaalsContact CD-OE1 3.31Å; R176-E228 WeakPolarHBondContact CD-OE1 3.19Å; R176-E228 IonicContact CZ-OE1 3.77Å; R176-E228 IonicContact NH1-OE1 3.91Å; R176-E228 PolarHBondContact NH1-OE1 3.39Å; F223-E228 HydrophobicContact CB-CB 4.47Å; F223-E228 HydrophobicContact CD1-CB 4.31Å; F223-E228 HydrophobicContact CD1-CG 3.85Å; E224-E228 PolarHBondContact N-OE2 3.35Å; T225-E228 PolarHBondContact O-N 3.07Å; T225-E228 WeakPolarHBondContact OG1-CB 3.12Å; T225-E228 PolarHBondContact OG1-N 3.05Å; T225-E228 VanDerWaalsContact OG1-N 3.16Å; Q226-E228 VanDerWaalsContact C-N 3.32Å; Q226-E228 PolarHBondContact O-N 3.41Å; E228-E230 PolarHBondContact O-N 2.01Å; E228-K231 PolarHBondContact O-N 3.27Å; E228-V232 WeakPolarHBondContact O-CG2 3.49Å; E228-V232 PolarHBondContact O-N 3.32Å; E228-V232 VanDerWaalsContact O-N 3.08Å
229	C	95.9	Very high	87.2	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-49.1	176.4	175.2	0	0	0	0	111.8	W199 C208 F223 T225 Q226 K231 V232 C233	W199-C229 HydrophobicContact CB-CB 4.05Å; C208-C229 HydrophobicContact CB-CB 3.85Å; C208-C229 WeakPolarHBondContact CB-SG 3.26Å; C208-C229 WeakPolarHBondContact SG-CB 3.23Å; C208-C229 CovalentContact SG-SG 2.03Å; C208-C229 PolarHBondContact SG-SG 3.3Å; F223-C229 HydrophobicContact CB-CB 3.78Å; F223-C229 HydrophobicContact CD1-CB 4.11Å; F223-C229 HydrophobicContact CD2-CB 3.58Å; F223-C229 HydrophobicContact CE2-CB 4.18Å; F223-C229 HydrophobicContact CG-CB 3.56Å; T225-C229 PolarHBondContact O-N 3.28Å; Q226-C229 WeakPolarHBondContact O-CB 3.42Å; Q226-C229 PolarHBondContact O-N 3.41Å; C229-K231 PolarHBondContact O-N 3.11Å; C229-V232 PolarHBondContact O-N 3.23Å; C229-C233 WeakPolarHBondContact O-CB 3.36Å; C229-C233 PolarHBondContact O-N 3.24Å
230	E	94.5	Very high	84.9	Confident	62 Å²	62	75.1 Å²	75.1	29%	0.29	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-42.5	-178.7	-76.6	175.5	176.1	0	0	111.8	C208 Q226 E228 V232 C233 N234	C208-E230 HydrophobicContact CB-CG 4.15Å; C208-E230 PolarHBondContact SG-N 3.45Å; Q226-E230 HydrophobicContact CG-CG 4.29Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.26Å; Q226-E230 PolarHBondContact NE2-OE1 3.48Å; Q226-E230 WeakPolarHBondContact O-CB 3.2Å; Q226-E230 WeakPolarHBondContact O-CG 3.41Å; Q226-E230 PolarHBondContact O-N 3.12Å; E228-E230 PolarHBondContact O-N 2.01Å; E230-V232 VanDerWaalsContact C-N 3.27Å; E230-V232 PolarHBondContact O-N 3.19Å; E230-C233 PolarHBondContact O-N 3.13Å; E230-N234 WeakPolarHBondContact CB-ND2 3.19Å; E230-N234 WeakPolarHBondContact O-CB 3.31Å; E230-N234 PolarHBondContact O-N 3.3Å; E230-N234 PolarHBondContact O-ND2 3.4Å
231	K	90.2	Very high	82.1	Confident	181 Å²	181	86 Å²	86	79%	0.787	44%	0.439	S	S	*	.	H	α-helix	trans	-61	-37.1	177.2	-178.2	179.4	178.6	-178.2	0	112.1	S227 E228 C229	S227-K231 WeakPolarHBondContact O-CB 3.24Å; S227-K231 PolarHBondContact O-N 3.49Å; E228-K231 PolarHBondContact O-N 3.27Å; C229-K231 PolarHBondContact O-N 3.11Å
232	V	89.2	Confident	81.4	Confident	51 Å²	51	90.3 Å²	90.3	31%	0.309	46%	0.461	S	S	.	.	H	α-helix	trans	-81.5	-39.9	-179.6	172.8	0	0	0	0	111.7	R176 F223 E228 C229 E230	R176-V232 VanDerWaalsContact O-CG1 3.26Å; R176-V232 WeakPolarHBondContact O-CG1 3.39Å; F223-V232 HydrophobicContact CE1-CB 3.65Å; F223-V232 HydrophobicContact CE1-CG1 3.83Å; F223-V232 HydrophobicContact CE1-CG2 3.84Å; F223-V232 HydrophobicContact CZ-CB 4.03Å; F223-V232 HydrophobicContact CZ-CG1 3.87Å; E228-V232 WeakPolarHBondContact O-CG2 3.49Å; E228-V232 PolarHBondContact O-N 3.32Å; E228-V232 VanDerWaalsContact O-N 3.08Å; C229-V232 PolarHBondContact O-N 3.23Å; E230-V232 VanDerWaalsContact C-N 3.27Å; E230-V232 PolarHBondContact O-N 3.19Å
233	C	92.9	Very high	80.6	Confident	0 Å²	0	94.6 Å²	94.6	0%	0	48%	0.483	C	S	.	.	H	α-helix	trans	-110.6	-13.1	-165	-67.8	0	0	0	0	116.7	C183 Y201 C229 E230 S235 T236	C183-C233 HydrophobicContact CB-CB 3.67Å; C183-C233 WeakPolarHBondContact CB-SG 3.14Å; C183-C233 WeakPolarHBondContact SG-CA 2.93Å; C183-C233 WeakPolarHBondContact SG-CB 3.01Å; C183-C233 CovalentContact SG-SG 2.04Å; C183-C233 PolarHBondContact SG-SG 3.2Å; Y201-C233 HydrophobicContact CD1-CB 3.9Å; Y201-C233 HydrophobicContact CD2-CB 3.36Å; Y201-C233 HydrophobicContact CE1-CB 4.33Å; Y201-C233 HydrophobicContact CE2-CB 3.87Å; Y201-C233 HydrophobicContact CG-CB 3.36Å; C229-C233 WeakPolarHBondContact O-CB 3.36Å; C229-C233 PolarHBondContact O-N 3.24Å; E230-C233 PolarHBondContact O-N 3.13Å; C233-S235 PolarHBondContact O-N 3.47Å; C233-S235 VanDerWaalsContact O-N 3.13Å; C233-T236 WeakPolarHBondContact O-CB 2.99Å; C233-T236 PolarHBondContact O-N 3.19Å; C233-T236 PolarHBondContact O-OG1 3.2Å
234	N	89.3	Confident	79.7	Confident	83 Å²	83	99.9 Å²	99.9	44%	0.444	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23	-177.4	-78.7	-5.8	0	0	0	113.8	E230 T236	E230-N234 WeakPolarHBondContact CB-ND2 3.19Å; E230-N234 WeakPolarHBondContact O-CB 3.31Å; E230-N234 PolarHBondContact O-N 3.3Å; E230-N234 PolarHBondContact O-ND2 3.4Å; N234-T236 VanDerWaalsContact C-N 3.28Å; N234-T236 PolarHBondContact O-N 2.96Å
235	S	80.6	Confident	78.7	Confident	118 Å²	118	97 Å²	97	83%	0.825	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-78.5	-8.9	176.3	-56	0	0	0	0	113.8	C233 R237	C233-S235 PolarHBondContact O-N 3.47Å; C233-S235 VanDerWaalsContact O-N 3.13Å; S235-R237 VanDerWaalsContact C-N 3.31Å; S235-R237 PolarHBondContact O-N 3.31Å
236	T	68.8	Low	77.6	Confident	40 Å²	40	98.9 Å²	98.9	25%	0.245	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-90.5	12.6	-173.3	-40.1	0	0	0	0	113.2	C183 C233 N234 P238	C183-T236 HydrophobicContact CB-CG2 4.06Å; C233-T236 WeakPolarHBondContact O-CB 2.99Å; C233-T236 PolarHBondContact O-N 3.19Å; C233-T236 PolarHBondContact O-OG1 3.2Å; N234-T236 VanDerWaalsContact C-N 3.28Å; N234-T236 PolarHBondContact O-N 2.96Å; T236-P238 VanDerWaalsContact O-CD 3.32Å; T236-P238 WeakPolarHBondContact O-CD 3.05Å
237	R	62.4	Low	76.3	Confident	189 Å²	189	99.9 Å²	99.9	71%	0.713	51%	0.512	S	S	*	.			trans	-61.4	122.1	-178.6	-174.2	177.5	177.9	-178.3	-0.1	110.3	S235 F239	S235-R237 VanDerWaalsContact C-N 3.31Å; S235-R237 PolarHBondContact O-N 3.31Å; R237-F239 PolarHBondContact O-N 3.08Å
238	P	55.4	Low	74.9	Confident	64 Å²	64	101.1 Å²	101.1	42%	0.416	51%	0.507	S	S	.	.			trans	-62.8	133.2	166.9	-15.3	28.7	0	0	0	108.7	T236 I240	T236-P238 VanDerWaalsContact O-CD 3.32Å; T236-P238 WeakPolarHBondContact O-CD 3.05Å; P238-I240 PolarHBondContact O-N 3.39Å
239	F	51.1	Low	73.4	Confident	202 Å²	202	104.8 Å²	104.8	89%	0.886	53%	0.527	S	S	*	.			trans	-62.3	93	161.6	-66	-83.3	0	0	0	107.3	R237 L241	R237-F239 PolarHBondContact O-N 3.08Å; F239-L241 PolarHBondContact O-N 3.29Å
240	I	47.1	Very low	71.6	Confident	139 Å²	139	113.5 Å²	113.5	71%	0.713	57%	0.571	S	S	*	*			trans	-77.5	102.2	161	-56.3	179	0	0	0	104.2	P238	P238-I240 PolarHBondContact O-N 3.39Å
241	L	37.3	Very low	69.5	Low	233 Å²	233	118.2 Å²	118.2	100%	1.22	60%	0.596	S	S	*	*			trans	-64.4	0	169	-72.9	168.8	0	0	0	110.4	F239	F239-L241 PolarHBondContact O-N 3.29Å

Retrieved 241 of 241 residues in 129.3 ms (Link to these results)

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