A0A077ZL75_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZL75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	47.6	Very low	57.5	Low	241 Å²	241	151.4 Å²	151.4	100%	1.187	82%	0.824	S	S	*	*				0	130.9	0	-78.1	-163.3	159.1	0	0	108.8
2	P	64.1	Low	57	Low	120 Å²	120	159 Å²	159	78%	0.779	83%	0.832	S	S	*	*			cis	-109	133.1	-7.5	29.6	-12.8	0	0	0	112.7
3	E	49	Very low	56.8	Low	191 Å²	191	153.4 Å²	153.4	89%	0.893	82%	0.823	S	S	*	*			trans	-74.9	140.4	153.8	-78.9	178.6	105.6	0	0	108
4	V	68.1	Low	56.9	Low	112 Å²	112	151.6 Å²	151.6	68%	0.679	83%	0.828	S	S	*	*			trans	-117.9	102.4	171.7	-169.3	0	0	0	0	107.8	F6	V4-F6 HydrophobicContact CG1-CD2 3.6Å; V4-F6 HydrophobicContact CG1-CE2 3.3Å; V4-F6 HydrophobicContact CG1-CZ 4.29Å
5	H	55.1	Low	57.1	Low	181 Å²	181	146.1 Å²	146.1	84%	0.838	82%	0.821	S	S	*	*			trans	-98.4	129.7	170.4	-141.5	60.9	0	0	0	106.8
6	F	66.2	Low	56.8	Low	184 Å²	184	145.4 Å²	145.4	81%	0.807	82%	0.824	S	S	*	*			trans	-123.3	142.4	167.8	-84.3	-75.1	0	0	0	110.2	V4	V4-F6 HydrophobicContact CG1-CD2 3.6Å; V4-F6 HydrophobicContact CG1-CE2 3.3Å; V4-F6 HydrophobicContact CG1-CZ 4.29Å
7	P	56.3	Low	56.9	Low	112 Å²	112	148.5 Å²	148.5	73%	0.727	83%	0.83	S	S	*	*			trans	-98.3	161.1	-156.8	34.3	-24.8	0	0	0	114.5
8	E	48.3	Very low	56.7	Low	184 Å²	184	147.1 Å²	147.1	86%	0.86	83%	0.832	S	S	*	*			trans	-45.1	138.5	169.6	-172.4	178	134.8	0	0	115.5
9	T	63.7	Low	56.3	Low	140 Å²	140	142.8 Å²	142.8	86%	0.859	82%	0.824	S	S	*	*			trans	-153.7	110.1	150.3	-37.8	0	0	0	0	110.2
10	A	58	Low	56.3	Low	80 Å²	80	147.8 Å²	147.8	66%	0.661	83%	0.828	S	S	*	*			trans	-89.8	159.9	160	0	0	0	0	0	109.1
11	P	55.7	Low	56.4	Low	120 Å²	120	147.3 Å²	147.3	78%	0.779	83%	0.828	S	S	*	*				-150.7	147.5	85.7	34	-13.6	0	0	0	117.4
12	R	51.7	Low	56.9	Low	243 Å²	243	141.4 Å²	141.4	92%	0.917	81%	0.808	S	S	*	*			trans	24.5	122.8	131.8	-123.5	176.7	174.5	-169.5	-2.5	119.7
13	A	54.9	Low	56.5	Low	86 Å²	86	143.9 Å²	143.9	71%	0.711	81%	0.809	S	S	*	*				159.4	153.4	98.1	0	0	0	0	0	114.6
14	S	57.6	Low	56.8	Low	129 Å²	129	140 Å²	140	90%	0.902	80%	0.801	S	S	*	*			trans	72.4	132.4	160.9	67.3	0	0	0	0	118
15	G	60.9	Low	55.9	Low	69 Å²	69	140.9 Å²	140.9	71%	0.711	81%	0.806	S	S	*	*			cis	-166.9	-174	8.5	0	0	0	0	0	109.3
16	P	51.4	Low	55.4	Low	134 Å²	134	140 Å²	140	87%	0.87	81%	0.807	S	S	*	*			trans	-92.5	134.4	-164.8	34.4	-28.5	0	0	0	111.7
17	E	58.4	Low	54.5	Low	198 Å²	198	138.7 Å²	138.7	93%	0.925	81%	0.807	S	S	*	*			trans	-127	115.9	164.2	-144	177.2	130.1	0	0	111.1
18	S	54.3	Low	54	Low	124 Å²	124	137.1 Å²	137.1	87%	0.867	80%	0.803	S	S	*	*			trans	-58.6	133.4	170.4	170.8	0	0	0	0	110.9
19	G	48.3	Very low	53.6	Low	66 Å²	66	134 Å²	134	68%	0.68	80%	0.799	S	S	*	*			trans	169.3	106.8	163.7	0	0	0	0	0	116.6
20	R	56.4	Low	52.3	Low	242 Å²	242	136.2 Å²	136.2	91%	0.913	80%	0.804	S	S	*	*			trans	72.7	100.6	158.3	-68.8	-177.3	-175.2	171.6	3.1	118.3
21	V	57.7	Low	51.3	Low	137 Å²	137	136.1 Å²	136.1	83%	0.83	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-56.8	123.7	150.6	-177.5	0	0	0	0	108.8
22	P	58.6	Low	50.3	Low	117 Å²	117	139.7 Å²	139.7	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.2	129.8	167.8	26.6	-22	0	0	0	109
23	E	57	Low	49.6	Very low	173 Å²	173	132.9 Å²	132.9	81%	0.808	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-55.6	147.9	174.8	-76.7	-144.2	136.9	0	0	112.1	V25	E23-V25 PolarHBondContact O-N 3.09Å; E23-V25 VanDerWaalsContact O-N 3.09Å
24	P	53.5	Low	48.9	Very low	110 Å²	110	134.6 Å²	134.6	71%	0.714	81%	0.812	S	S	*	*			trans	-64.6	114	173.3	27.1	-31.2	0	0	0	109	L26	P24-L26 PolarHBondContact O-N 3.2Å
25	V	50.4	Low	48.2	Very low	129 Å²	129	139.5 Å²	139.5	78%	0.782	81%	0.81	S	S	*	*			trans	-59.7	101.8	166.6	177.9	0	0	0	0	107.1	E23 I27	E23-V25 PolarHBondContact O-N 3.09Å; E23-V25 VanDerWaalsContact O-N 3.09Å; V25-I27 VanDerWaalsContact C-N 3.32Å; V25-I27 PolarHBondContact O-N 2.73Å
26	L	44	Very low	47	Very low	163 Å²	163	143.4 Å²	143.4	85%	0.853	82%	0.815	S	S	*	*			trans	-60.6	95.8	167.6	-87.3	157	0	0	0	107.8	P24 A28	P24-L26 PolarHBondContact O-N 3.2Å; L26-A28 VanDerWaalsContact C-N 3.28Å; L26-A28 PolarHBondContact O-N 2.78Å
27	I	46.5	Very low	46.4	Very low	157 Å²	157	144.3 Å²	144.3	81%	0.805	81%	0.809	S	S	*	*			trans	-68.1	93.8	166.3	-60.1	174.6	0	0	0	105.9	V25	V25-I27 VanDerWaalsContact C-N 3.32Å; V25-I27 PolarHBondContact O-N 2.73Å
28	A	46.4	Very low	45.4	Very low	79 Å²	79	143.1 Å²	143.1	65%	0.653	80%	0.804	S	S	*	*			trans	-60.5	144.8	170.2	0	0	0	0	0	109.7	L26 L30	L26-A28 VanDerWaalsContact C-N 3.28Å; L26-A28 PolarHBondContact O-N 2.78Å; A28-L30 PolarHBondContact O-N 3.09Å
29	P	40	Very low	44.7	Very low	118 Å²	118	145.3 Å²	145.3	77%	0.766	80%	0.798	S	S	*	*			trans	-66	130.4	-179.7	-4.5	18.5	0	0	0	109.6	A31	P29-A31 PolarHBondContact O-N 3.05Å
30	L	37.7	Very low	44.1	Very low	187 Å²	187	148.2 Å²	148.2	98%	0.979	80%	0.803	S	S	*	*			trans	-68.9	78	167.1	-169.6	78.6	0	0	0	108.6	A28	A28-L30 PolarHBondContact O-N 3.09Å
31	A	35.4	Very low	43	Very low	77 Å²	77	142.4 Å²	142.4	64%	0.636	80%	0.799	S	S	*	*			trans	-115	147.3	165.9	0	0	0	0	0	107.9	P29	P29-A31 PolarHBondContact O-N 3.05Å
32	E	35	Very low	41.8	Very low	196 Å²	196	138.4 Å²	138.4	92%	0.916	79%	0.786	S	S	*	*			trans	88.5	79	174.9	-50.8	-168.3	142.1	0	0	117.3
33	A	37.8	Very low	40.7	Very low	99 Å²	99	139.3 Å²	139.3	82%	0.818	79%	0.789	S	S	*	*			trans	-151	46.7	139.7	0	0	0	0	0	111.9	R35	A33-R35 PolarHBondContact O-N 3.17Å; A33-R35 VanDerWaalsContact O-N 3.17Å
34	S	39.3	Very low	40.1	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	78%	0.779	S	S	*	*			trans	-78.9	80.8	153	-84.3	0	0	0	0	107.2
35	R	43.5	Very low	39.9	Very low	232 Å²	232	142.4 Å²	142.4	88%	0.875	78%	0.784	S	S	*	*			trans	-91.2	113.3	162.4	-88.5	-176.5	175.2	171	-0.7	107.5	A33 M37	A33-R35 PolarHBondContact O-N 3.17Å; A33-R35 VanDerWaalsContact O-N 3.17Å; R35-M37 PolarHBondContact O-N 2.91Å; R35-M37 VanDerWaalsContact O-N 3.08Å
36	D	35.8	Very low	40	Very low	151 Å²	151	140 Å²	140	81%	0.807	77%	0.77	S	S	*	*			trans	-45.7	112.1	170.4	-63.3	-58.6	0	0	0	110	E38	D36-E38 VanDerWaalsContact C-N 3.26Å; D36-E38 PolarHBondContact O-N 3.46Å
37	M	38.5	Very low	41.1	Very low	153 Å²	153	133.6 Å²	133.6	75%	0.754	74%	0.737	S	S	*	*			trans	-78.9	82.9	176	-156	177.9	-131	0	0	107	R35 F39	R35-M37 PolarHBondContact O-N 2.91Å; R35-M37 VanDerWaalsContact O-N 3.08Å; M37-F39 PolarHBondContact O-N 2.9Å
38	E	36.8	Very low	42.7	Very low	173 Å²	173	126.5 Å²	126.5	81%	0.808	70%	0.704	S	S	*	*			trans	-62.5	104.9	169	-77.6	-169.7	149.2	0	0	109	D36 V40	D36-E38 VanDerWaalsContact C-N 3.26Å; D36-E38 PolarHBondContact O-N 3.46Å; E38-V40 PolarHBondContact O-N 2.99Å
39	F	39.4	Very low	44.9	Very low	170 Å²	170	125.8 Å²	125.8	75%	0.746	69%	0.686	S	S	*	*			trans	-76.2	92.7	175.5	-141.4	-92.2	0	0	0	108.2	M37 S41	M37-F39 PolarHBondContact O-N 2.9Å; F39-S41 PolarHBondContact O-N 3.41Å; F39-S41 VanDerWaalsContact O-N 3.09Å
40	V	36.8	Very low	47.5	Very low	128 Å²	128	120.7 Å²	120.7	78%	0.776	65%	0.653	S	S	*	*			trans	-62.6	113.2	169.4	179	0	0	0	0	107.8	E38 G42	E38-V40 PolarHBondContact O-N 2.99Å; V40-G42 PolarHBondContact O-N 2.97Å
41	S	31.8	Very low	50.1	Low	119 Å²	119	116.7 Å²	116.7	83%	0.832	63%	0.626	S	S	*	*			trans	-63.4	78.3	175.8	-174.1	0	0	0	0	110.6	F39	F39-S41 PolarHBondContact O-N 3.41Å; F39-S41 VanDerWaalsContact O-N 3.09Å
42	G	34.5	Very low	52.8	Low	54 Å²	54	115.4 Å²	115.4	56%	0.557	61%	0.611	S	S	*	*			trans	-101	120.4	166.6	0	0	0	0	0	108.7	V40 R44	V40-G42 PolarHBondContact O-N 2.97Å; G42-R44 PolarHBondContact O-N 2.92Å
43	T	35.1	Very low	55.4	Low	135 Å²	135	111.2 Å²	111.2	83%	0.828	60%	0.599	S	S	*	*			trans	-59.9	72.4	176.7	35.9	0	0	0	0	112.6	K45	T43-K45 PolarHBondContact O-N 3.35Å
44	R	43.4	Very low	57.9	Low	160 Å²	160	111.4 Å²	111.4	60%	0.604	59%	0.586	S	S	*	*			trans	-82.1	95.7	167.8	-91.2	-170.7	170.3	-145.5	-10.4	110	G42 T77 E78	G42-R44 PolarHBondContact O-N 2.92Å; R44-T77 PolarHBondContact NH1-OG1 3.05Å; R44-T77 VanDerWaalsContact NH1-OG1 3.09Å; R44-E78 IonicContact NH1-OE2 3.46Å; R44-E78 PolarHBondContact NH1-OE2 2.83Å
45	K	49.1	Very low	60.5	Low	189 Å²	189	106.1 Å²	106.1	82%	0.822	55%	0.548	S	S	*	.			trans	-58.7	128.9	174.5	-75.2	170.9	171.4	176.2	0	111.7	T43	T43-K45 PolarHBondContact O-N 3.35Å
46	T	53.4	Low	62.9	Low	78 Å²	78	95.3 Å²	95.3	48%	0.479	51%	0.508	S	S	.	.			trans	52.2	110.8	168.6	68.9	0	0	0	0	117.7	G48 N75	T46-G48 PolarHBondContact O-N 3Å; T46-N75 PolarHBondContact O-OD1 2.79Å; T46-N75 PolarHBondContact OG1-ND2 3.41Å; T46-N75 VanDerWaalsContact OG1-ND2 3.17Å
47	T	67.6	Low	65.6	Low	28 Å²	28	92.3 Å²	92.3	17%	0.172	49%	0.489	C	S	.	.	S	Bend	trans	-87.2	9.8	-179.9	37.3	0	0	0	0	115.5	V80 L133 K158	T47-V80 VanDerWaalsContact O-CG2 3.31Å; T47-V80 WeakPolarHBondContact O-CG2 3.36Å; T47-L133 HydrophobicContact CG2-CD1 3.87Å; T47-L133 HydrophobicContact CG2-CD2 3.87Å; T47-L133 HydrophobicContact CG2-CG 3.57Å; T47-K158 WeakPolarHBondContact OG1-CD 3.04Å
48	G	80.2	Confident	68.1	Low	9 Å²	9	85.2 Å²	85.2	9%	0.093	45%	0.454	C	S	.	.			trans	148.8	156.9	-178.2	0	0	0	0	0	113.3	T46 Y73 N75 K158	T46-G48 PolarHBondContact O-N 3Å; G48-Y73 CarbonylContact C-O 3.54Å; G48-Y73 WeakPolarHBondContact CA-O 3.34Å; G48-N75 PolarHBondContact N-OD1 3.38Å; G48-K158 PolarHBondContact O-NZ 2.83Å
49	E	91.5	Very high	70.5	Confident	63 Å²	63	77 Å²	77	29%	0.294	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	-179.1	-64.3	165.9	-163.8	0	0	110.4	Y51 L72 Y73 N75	E49-Y51 HydrophobicContact CB-CD2 4.49Å; E49-Y51 HydrophobicContact CB-CE2 3.67Å; E49-Y51 PolarHBondContact OE2-OH 3.44Å; E49-L72 WeakPolarHBondContact O-CA 3.07Å; E49-Y73 PolarHBondContact N-O 2.75Å; E49-Y73 PolarHBondContact O-N 3.44Å; E49-N75 PolarHBondContact OE1-ND2 2.69Å
50	V	93.8	Very high	72.8	Confident	12 Å²	12	76.5 Å²	76.5	7%	0.073	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133	-178.2	-174.8	0	0	0	0	108.5	P52 I70 K71 L72 V129 H160 L162	V50-P52 CarbonylContact C-O 3.54Å; V50-I70 HydrophobicContact CG1-CD1 4.34Å; V50-K71 WeakPolarHBondContact CA-O 3.41Å; V50-L72 HydrophobicContact CB-CD2 4.31Å; V50-L72 HydrophobicContact CG1-CD2 3.95Å; V50-L72 HydrophobicContact CG2-CD2 3.81Å; V50-V129 HydrophobicContact CG1-CG2 4.11Å; V50-V129 HydrophobicContact CG2-CB 4.22Å; V50-V129 HydrophobicContact CG2-CG1 4.34Å; V50-V129 HydrophobicContact CG2-CG2 4.21Å; V50-H160 HydrophobicContact CG2-CB 3.82Å; V50-L162 HydrophobicContact CG1-CD1 3.97Å; V50-L162 HydrophobicContact CG1-CD2 4.29Å; V50-L162 HydrophobicContact CG1-CG 4.49Å
51	Y	93.3	Very high	75.1	Confident	102 Å²	102	73 Å²	73	40%	0.4	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.7	179	-61.8	-88.1	0	0	0	110.1	E49 I70 K71	E49-Y51 HydrophobicContact CB-CD2 4.49Å; E49-Y51 HydrophobicContact CB-CE2 3.67Å; E49-Y51 PolarHBondContact OE2-OH 3.44Å; Y51-I70 CarbonylContact O-C 3.55Å; Y51-I70 WeakPolarHBondContact O-CA 3.38Å; Y51-I70 WeakPolarHBondContact O-CB 3.47Å; Y51-K71 PolarHBondContact N-O 3.2Å; Y51-K71 PolarHBondContact O-N 3.21Å
52	P	92.6	Very high	77.7	Confident	51 Å²	51	70.2 Å²	70.2	33%	0.331	36%	0.358	S	S	.	.	S	Bend	cis	-57	160.4	-8.8	26.7	-36.9	0	0	0	112.5	V50 T55 I56 L162	V50-P52 CarbonylContact C-O 3.54Å; P52-T55 WeakPolarHBondContact CB-O 3.4Å; P52-T55 WeakPolarHBondContact CG-O 3.39Å; P52-I56 HydrophobicContact CG-CG1 4.37Å; P52-L162 WeakPolarHBondContact O-CD2 3.16Å
53	V	88.7	Confident	80.1	Confident	107 Å²	107	72.7 Å²	72.7	65%	0.648	36%	0.359	S	S	*	.	S	Bend	trans	-77.1	-34.3	-170.5	176.7	0	0	0	0	111.6	L162	V53-L162 WeakPolarHBondContact O-CD2 3.34Å
54	D	90.3	Very high	82.7	Confident	104 Å²	104	70.8 Å²	70.8	56%	0.556	34%	0.342	S	S	*	.	S	Bend	trans	-134.3	-37.2	-163.1	56.5	-13.1	0	0	0	113.7	L162 E163	D54-L162 CarbonylContact O-C 3.51Å; D54-L162 VanDerWaalsContact O-CA 3.32Å; D54-L162 WeakPolarHBondContact O-CA 3.31Å; D54-E163 PolarHBondContact O-N 3.3Å
55	T	93.7	Very high	85.1	Confident	10 Å²	10	65.9 Å²	65.9	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.6	-169.8	-53.8	0	0	0	0	113.7	P52 H57 E163 K165	P52-T55 WeakPolarHBondContact CB-O 3.4Å; P52-T55 WeakPolarHBondContact CG-O 3.39Å; T55-H57 VanDerWaalsContact CG2-NE2 3.35Å; T55-H57 WeakPolarHBondContact CG2-NE2 3.36Å; T55-E163 CarbonylContact C-O 3.57Å; T55-E163 VanDerWaalsContact CA-O 3.3Å; T55-E163 WeakPolarHBondContact CA-O 3.48Å; T55-E163 HydrophobicContact CG2-CB 4.48Å; T55-K165 HydrophobicContact CG2-CB 4.04Å; T55-K165 HydrophobicContact CG2-CD 3.73Å; T55-K165 HydrophobicContact CG2-CG 3.65Å
56	I	93.8	Very high	87.2	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.2	167	-58.8	155.4	0	0	0	107.7	P52 F58 A68 I70 I111 C127 L162 E163 V164 K165	P52-I56 HydrophobicContact CG-CG1 4.37Å; I56-F58 HydrophobicContact CG2-CD2 4.19Å; I56-F58 HydrophobicContact CG2-CE2 3.52Å; I56-F58 HydrophobicContact CG2-CZ 3.78Å; I56-A68 HydrophobicContact CG2-CB 3.62Å; I56-I70 HydrophobicContact CD1-CG2 3.93Å; I56-I70 HydrophobicContact CG1-CG2 3.97Å; I56-I111 HydrophobicContact CD1-CD1 3.42Å; I56-I111 VanDerWaalsContact CD1-CD1 3.42Å; I56-I111 HydrophobicContact CG1-CD1 4.22Å; I56-I111 HydrophobicContact CG2-CD1 4.49Å; I56-C127 HydrophobicContact CD1-CB 4.1Å; I56-L162 HydrophobicContact CD1-CB 4.03Å; I56-L162 HydrophobicContact CD1-CD1 3.8Å; I56-L162 HydrophobicContact CG1-CB 4.42Å; I56-L162 HydrophobicContact CG1-CD1 4.29Å; I56-E163 PolarHBondContact N-O 3.4Å; I56-V164 WeakPolarHBondContact O-CA 3.48Å; I56-K165 PolarHBondContact O-N 3.22Å
57	H	92.7	Very high	89.1	Confident	88 Å²	88	58.2 Å²	58.2	41%	0.407	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136	-177.6	-64.6	-96	0	0	0	111	T55 K165 D167 V168	T55-H57 VanDerWaalsContact CG2-NE2 3.35Å; T55-H57 WeakPolarHBondContact CG2-NE2 3.36Å; H57-K165 WeakPolarHBondContact CA-O 3.32Å; H57-D167 IonicContact CE1-OD1 3.97Å; H57-D167 IonicContact CE1-OD2 3.8Å; H57-D167 PolarHBondContact CE1-OD2 3.43Å; H57-D167 VanDerWaalsContact CE1-OD2 3.28Å; H57-D167 IonicContact CG-OD1 3.6Å; H57-D167 VanDerWaalsContact ND1-CG 3.27Å; H57-D167 IonicContact ND1-OD1 3.55Å; H57-D167 PolarHBondContact ND1-OD1 2.98Å; H57-D167 IonicContact ND1-OD2 2.75Å; H57-D167 PolarHBondContact ND1-OD2 2.9Å; H57-V168 HydrophobicContact CB-CG2 3.64Å
58	F	91.5	Very high	90.4	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	162	169.9	-64.9	-75.6	0	0	0	108.9	I56 Q66 A68 I111 C113 V164 K165 F166 D167 V168	I56-F58 HydrophobicContact CG2-CD2 4.19Å; I56-F58 HydrophobicContact CG2-CE2 3.52Å; I56-F58 HydrophobicContact CG2-CZ 3.78Å; F58-Q66 HydrophobicContact CD1-CB 3.69Å; F58-Q66 HydrophobicContact CE1-CB 4.3Å; F58-A68 HydrophobicContact CD1-CB 4.36Å; F58-A68 HydrophobicContact CE1-CB 3.51Å; F58-A68 HydrophobicContact CZ-CB 3.62Å; F58-I111 HydrophobicContact CZ-CB 4.31Å; F58-I111 HydrophobicContact CZ-CG2 3.86Å; F58-C113 HydrophobicContact CD1-CB 3.75Å; F58-C113 HydrophobicContact CD2-CB 3.96Å; F58-C113 HydrophobicContact CE1-CB 3.52Å; F58-C113 HydrophobicContact CE2-CB 3.76Å; F58-C113 HydrophobicContact CG-CB 3.96Å; F58-C113 HydrophobicContact CZ-CB 3.53Å; F58-V164 HydrophobicContact CD2-CG1 3.65Å; F58-V164 HydrophobicContact CE2-CG1 3.82Å; F58-K165 PolarHBondContact N-O 3.09Å; F58-F166 HydrophobicContact CB-CD1 3.81Å; F58-F166 HydrophobicContact CB-CE1 4.02Å; F58-F166 HydrophobicContact CD2-CE1 4.31Å; F58-F166 CarbonylContact O-C 3.59Å; F58-F166 VanDerWaalsContact O-CA 3.23Å; F58-F166 WeakPolarHBondContact O-CA 3.33Å; F58-D167 PolarHBondContact O-N 2.7Å; F58-V168 PolarHBondContact O-N 2.63Å
59	S	87.8	Confident	91.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	160.5	168.5	75.4	0	0	0	0	112.3	I61 Q66 V168 I173	S59-I61 PolarHBondContact O-N 3.27Å; S59-I61 WeakPolarHBondContact OG-CG1 3.38Å; S59-Q66 VanDerWaalsContact CB-OE1 3.3Å; S59-Q66 PolarHBondContact O-NE2 3.06Å; S59-Q66 PolarHBondContact OG-NE2 3.03Å; S59-Q66 VanDerWaalsContact OG-NE2 3.1Å; S59-Q66 PolarHBondContact OG-OE1 2.99Å; S59-V168 WeakPolarHBondContact CA-O 3.25Å; S59-V168 WeakPolarHBondContact CB-O 3.42Å; S59-I173 WeakPolarHBondContact OG-CD1 3.48Å
60	R	86.2	Confident	91.4	Very high	158 Å²	158	56.6 Å²	56.6	60%	0.596	29%	0.291	S	S	*	.	S	Bend	trans	-73.7	-4.2	178.4	-67	-179.2	-178.4	-99.3	-6.5	114.3	F62 F166	R60-F62 PolarHBondContact O-N 3.08Å; R60-F166 HydrophobicContact CG-CB 4.08Å; R60-F166 WeakPolarHBondContact CG-O 3.24Å; R60-F166 PolarHBondContact NE-O 2.58Å; R60-F166 PolarHBondContact NH2-O 2.9Å
61	I	86	Confident	91.5	Very high	55 Å²	55	61.1 Å²	61.1	28%	0.282	31%	0.31	S	S	.	.			trans	-66.7	132	-173.4	-50	168.7	0	0	0	111.2	S59 I64 Q66 I173	S59-I61 PolarHBondContact O-N 3.27Å; S59-I61 WeakPolarHBondContact OG-CG1 3.38Å; I61-I64 HydrophobicContact CG2-CB 4.19Å; I61-I64 HydrophobicContact CG2-CD1 3.69Å; I61-I64 HydrophobicContact CG2-CG1 3.92Å; I61-Q66 PolarHBondContact O-NE2 2.98Å; I61-I173 HydrophobicContact CD1-CD1 4.42Å
62	F	85.7	Confident	91.7	Very high	60 Å²	60	56.4 Å²	56.4	26%	0.263	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-86.8	157.5	174.6	-61.5	-81.8	0	0	0	111.9	R60 I64 R115	R60-F62 PolarHBondContact O-N 3.08Å; F62-I64 PolarHBondContact O-N 3.47Å; F62-R115 HydrophobicContact CD1-CB 3.69Å; F62-R115 HydrophobicContact CE1-CB 4.24Å
63	D	86.1	Confident	91.8	Very high	107 Å²	107	57.1 Å²	57.1	57%	0.572	29%	0.288	S	S	*	.	S	Bend	trans	60.1	2.8	174.2	-59.1	-42	0	0	0	116.5	R115 P117	D63-R115 PolarHBondContact N-O 2.83Å; D63-P117 VanDerWaalsContact OD1-CD 3.28Å; D63-P117 WeakPolarHBondContact OD1-CD 3.31Å
64	I	89.3	Confident	92.1	Very high	94 Å²	94	52 Å²	52	48%	0.482	26%	0.257	S	S	.	.	S	Bend	trans	-106.4	130	173.1	-59	-172.4	0	0	0	109.3	I61 F62 Q66	I61-I64 HydrophobicContact CG2-CB 4.19Å; I61-I64 HydrophobicContact CG2-CD1 3.69Å; I61-I64 HydrophobicContact CG2-CG1 3.92Å; F62-I64 PolarHBondContact O-N 3.47Å; I64-Q66 PolarHBondContact O-N 3.17Å
65	T	93.3	Very high	92.1	Very high	58 Å²	58	49 Å²	49	36%	0.356	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.6	172.9	-58.5	0	0	0	0	109.8	R112 T114	T65-R112 HydrophobicContact CG2-CB 4.17Å; T65-R112 HydrophobicContact CG2-CG 4.46Å; T65-T114 WeakPolarHBondContact CA-OG1 3.44Å; T65-T114 PolarHBondContact OG1-OG1 3.31Å
66	Q	93.1	Very high	92	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.6	177.3	-52.8	-175.6	53.8	0	0	110.5	F58 S59 I61 I64 R112 C113	F58-Q66 HydrophobicContact CD1-CB 3.69Å; F58-Q66 HydrophobicContact CE1-CB 4.3Å; S59-Q66 VanDerWaalsContact CB-OE1 3.3Å; S59-Q66 PolarHBondContact O-NE2 3.06Å; S59-Q66 PolarHBondContact OG-NE2 3.03Å; S59-Q66 VanDerWaalsContact OG-NE2 3.1Å; S59-Q66 PolarHBondContact OG-OE1 2.99Å; I61-Q66 PolarHBondContact O-NE2 2.98Å; I64-Q66 PolarHBondContact O-N 3.17Å; Q66-R112 WeakPolarHBondContact O-CA 3.45Å; Q66-C113 PolarHBondContact N-O 2.9Å; Q66-C113 PolarHBondContact O-N 3.08Å
67	L	94.6	Very high	91.9	Very high	99 Å²	99	52.9 Å²	52.9	52%	0.518	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.6	-177.6	-60.6	-177	0	0	0	110.8	L110 I111 R112	L67-L110 HydrophobicContact CB-CD1 4.37Å; L67-L110 HydrophobicContact CD2-CD1 4.32Å; L67-L110 HydrophobicContact CD2-CD2 4.35Å; L67-L110 HydrophobicContact CD2-CG 4.45Å; L67-I111 WeakPolarHBondContact CA-O 3.5Å; L67-R112 HydrophobicContact CD2-CB 4.4Å; L67-R112 HydrophobicContact CD2-CG 3.6Å
68	A	94.7	Very high	91.8	Very high	20 Å²	20	50.5 Å²	50.5	17%	0.165	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	173.5	166	0	0	0	0	0	109.6	I56 F58 I111	I56-A68 HydrophobicContact CG2-CB 3.62Å; F58-A68 HydrophobicContact CD1-CB 4.36Å; F58-A68 HydrophobicContact CE1-CB 3.51Å; F58-A68 HydrophobicContact CZ-CB 3.62Å; A68-I111 HydrophobicContact CB-CB 4.37Å; A68-I111 PolarHBondContact N-O 2.81Å; A68-I111 PolarHBondContact O-N 2.86Å
69	S	95.3	Very high	91.8	Very high	44 Å²	44	54.2 Å²	54.2	31%	0.308	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.4	171.7	66.6	0	0	0	0	112.3	K108 I109	S69-K108 VanDerWaalsContact OG-CE 3.22Å; S69-K108 WeakPolarHBondContact OG-CE 3.02Å; S69-I109 WeakPolarHBondContact CA-O 3.36Å; S69-I109 WeakPolarHBondContact CB-O 3.3Å
70	I	96.3	Very high	92.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	159.1	164.9	65	169	0	0	0	109.4	V50 Y51 I56 L72 L84 K108 I109 I111 V129 L162	V50-I70 HydrophobicContact CG1-CD1 4.34Å; Y51-I70 CarbonylContact O-C 3.55Å; Y51-I70 WeakPolarHBondContact O-CA 3.38Å; Y51-I70 WeakPolarHBondContact O-CB 3.47Å; I56-I70 HydrophobicContact CD1-CG2 3.93Å; I56-I70 HydrophobicContact CG1-CG2 3.97Å; I70-L72 HydrophobicContact CD1-CD2 3.89Å; I70-L84 HydrophobicContact CD1-CD2 3.7Å; I70-K108 WeakPolarHBondContact O-CA 3.33Å; I70-I109 HydrophobicContact CD1-CB 4.46Å; I70-I109 HydrophobicContact CG1-CB 3.77Å; I70-I109 HydrophobicContact CG1-CG1 4.15Å; I70-I109 PolarHBondContact N-O 3.44Å; I70-I109 VanDerWaalsContact N-O 3.08Å; I70-I109 PolarHBondContact O-N 2.96Å; I70-I111 HydrophobicContact CB-CD1 4.48Å; I70-I111 HydrophobicContact CG1-CD1 4.29Å; I70-I111 HydrophobicContact CG2-CD1 3.66Å; I70-V129 HydrophobicContact CD1-CG2 3.69Å; I70-L162 HydrophobicContact CD1-CD1 4.22Å; I70-L162 HydrophobicContact CG2-CD1 3.73Å
71	K	96.8	Very high	92.4	Very high	108 Å²	108	46.7 Å²	46.7	47%	0.47	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.8	172	-57	177.5	-178.8	171.9	0	109.1	V50 Y51 M106 K107	V50-K71 WeakPolarHBondContact CA-O 3.41Å; Y51-K71 PolarHBondContact N-O 3.2Å; Y51-K71 PolarHBondContact O-N 3.21Å; K71-M106 HydrophobicContact CB-CG 4.31Å; K71-M106 HydrophobicContact CB-SD 3.62Å; K71-K107 CarbonylContact C-O 3.57Å; K71-K107 WeakPolarHBondContact CA-O 3.23Å
72	L	96.3	Very high	92.8	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.4	175.6	-52.9	-177.3	0	0	0	108.9	E49 V50 I70 Y82 L101 M106 K107 I109 V129	E49-L72 WeakPolarHBondContact O-CA 3.07Å; V50-L72 HydrophobicContact CB-CD2 4.31Å; V50-L72 HydrophobicContact CG1-CD2 3.95Å; V50-L72 HydrophobicContact CG2-CD2 3.81Å; I70-L72 HydrophobicContact CD1-CD2 3.89Å; L72-Y82 HydrophobicContact CD1-CD1 4.17Å; L72-Y82 HydrophobicContact CD1-CD2 3.65Å; L72-Y82 HydrophobicContact CD1-CE1 4.48Å; L72-Y82 HydrophobicContact CD1-CE2 4.03Å; L72-Y82 HydrophobicContact CD1-CG 3.73Å; L72-L101 HydrophobicContact CB-CD1 3.74Å; L72-L101 HydrophobicContact CB-CD2 4.34Å; L72-M106 VanDerWaalsContact C-SD 3.56Å; L72-M106 CarbonylContact O-C 3.47Å; L72-M106 WeakPolarHBondContact O-CA 3.23Å; L72-M106 VanDerWaalsContact O-SD 3.4Å; L72-K107 PolarHBondContact N-O 3.49Å; L72-K107 PolarHBondContact O-N 2.95Å; L72-I109 HydrophobicContact CD1-CD1 4.35Å; L72-I109 HydrophobicContact CD1-CG1 4Å; L72-I109 HydrophobicContact CG-CG1 4.12Å; L72-V129 HydrophobicContact CD1-CG1 4.21Å; L72-V129 HydrophobicContact CD2-CB 4.5Å; L72-V129 HydrophobicContact CD2-CG1 3.89Å; L72-V129 HydrophobicContact CD2-CG2 3.92Å
73	Y	95.2	Very high	93.3	Very high	65 Å²	65	42.7 Å²	42.7	26%	0.255	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.9	176.4	-177.7	-132.2	0	0	0	110.6	G48 E49 N75 M106	G48-Y73 CarbonylContact C-O 3.54Å; G48-Y73 WeakPolarHBondContact CA-O 3.34Å; E49-Y73 PolarHBondContact N-O 2.75Å; E49-Y73 PolarHBondContact O-N 3.44Å; Y73-N75 HydrophobicContact CD1-CB 3.86Å; Y73-N75 HydrophobicContact CE1-CB 3.47Å; Y73-N75 VanDerWaalsContact CE1-CB 3.47Å; Y73-M106 HydrophobicContact CD2-CE 4Å; Y73-M106 HydrophobicContact CG-CE 3.91Å
74	N	94.8	Very high	93.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.			trans	-94.8	101	169	179.3	8.4	0	0	0	109.6	S76 E78 V80 L101 Q102 F104 Q105	N74-S76 PolarHBondContact O-N 3.08Å; N74-S76 WeakPolarHBondContact OD1-CB 3.28Å; N74-S76 PolarHBondContact OD1-N 2.95Å; N74-S76 PolarHBondContact OD1-OG 2.88Å; N74-E78 PolarHBondContact ND2-O 3.18Å; N74-V80 HydrophobicContact CB-CG2 4.44Å; N74-V80 WeakPolarHBondContact OD1-CG2 3.16Å; N74-L101 HydrophobicContact CB-CB 3.74Å; N74-L101 HydrophobicContact CB-CD1 4.21Å; N74-L101 PolarHBondContact ND2-O 2.78Å; N74-Q102 WeakPolarHBondContact CB-O 3.26Å; N74-Q102 VanDerWaalsContact ND2-C 3.32Å; N74-Q102 PolarHBondContact ND2-O 3.12Å; N74-F104 WeakPolarHBondContact O-CA 3.36Å; N74-F104 PolarHBondContact O-N 2.92Å; N74-Q105 PolarHBondContact N-O 2.86Å
75	N	91.9	Very high	94.1	Very high	40 Å²	40	38.8 Å²	38.8	21%	0.214	20%	0.196	C	C	.	.			trans	-85.3	11.3	176.9	64.3	-3.6	0	0	0	113.4	T46 G48 E49 Y73	T46-N75 PolarHBondContact O-OD1 2.79Å; T46-N75 PolarHBondContact OG1-ND2 3.41Å; T46-N75 VanDerWaalsContact OG1-ND2 3.17Å; G48-N75 PolarHBondContact N-OD1 3.38Å; E49-N75 PolarHBondContact OE1-ND2 2.69Å; Y73-N75 HydrophobicContact CD1-CB 3.86Å; Y73-N75 HydrophobicContact CE1-CB 3.47Å; Y73-N75 VanDerWaalsContact CE1-CB 3.47Å
76	S	90.6	Very high	94.3	Very high	18 Å²	18	37.6 Å²	37.6	13%	0.126	19%	0.189	C	C	.	.	S	Bend	trans	-103.3	164.7	-179.7	84.7	0	0	0	0	112.8	N74 E78 P103	N74-S76 PolarHBondContact O-N 3.08Å; N74-S76 WeakPolarHBondContact OD1-CB 3.28Å; N74-S76 PolarHBondContact OD1-N 2.95Å; N74-S76 PolarHBondContact OD1-OG 2.88Å; S76-E78 PolarHBondContact O-N 2.9Å; S76-E78 PolarHBondContact OG-N 3.09Å; S76-E78 PolarHBondContact OG-O 2.98Å; S76-P103 WeakPolarHBondContact O-CA 3.22Å; S76-P103 WeakPolarHBondContact O-CB 3.5Å
77	T	91.7	Very high	94.4	Very high	80 Å²	80	41.1 Å²	41.1	49%	0.491	21%	0.21	S	C	.	.	S	Bend	trans	-78.8	-3.4	172.6	60.9	0	0	0	0	113.3	R44 P103 F104	R44-T77 PolarHBondContact NH1-OG1 3.05Å; R44-T77 VanDerWaalsContact NH1-OG1 3.09Å; T77-P103 WeakPolarHBondContact O-CG 3.42Å; T77-F104 HydrophobicContact CG2-CE2 4.21Å; T77-F104 HydrophobicContact CG2-CZ 3.78Å
78	E	91	Very high	94.3	Very high	39 Å²	39	37 Å²	37	18%	0.182	19%	0.19	C	C	.	.	S	Bend	trans	-116.6	156.9	-171.5	-73	174.8	120.7	0	0	110.1	R44 N74 S76 L133 R136	R44-E78 IonicContact NH1-OE2 3.46Å; R44-E78 PolarHBondContact NH1-OE2 2.83Å; N74-E78 PolarHBondContact ND2-O 3.18Å; S76-E78 PolarHBondContact O-N 2.9Å; S76-E78 PolarHBondContact OG-N 3.09Å; S76-E78 PolarHBondContact OG-O 2.98Å; E78-L133 HydrophobicContact CB-CD2 3.97Å; E78-R136 IonicContact OE1-CZ 3.93Å; E78-R136 IonicContact OE1-NE 2.97Å; E78-R136 PolarHBondContact OE1-NE 2.89Å; E78-R136 IonicContact OE1-NH2 3.54Å
79	R	91.9	Very high	94.4	Very high	81 Å²	81	39.8 Å²	39.8	31%	0.306	21%	0.207	S	C	.	.			trans	-71.1	141.4	176.1	-73.2	-174	-65.5	166.2	3.6	109.5	L101 Q102 L134 V138	R79-L101 WeakPolarHBondContact CA-O 3.21Å; R79-Q102 VanDerWaalsContact CD-OE1 3.31Å; R79-L134 HydrophobicContact CB-CB 4.02Å; R79-L134 HydrophobicContact CB-CD2 3.98Å; R79-L134 WeakPolarHBondContact O-CB 3.26Å; R79-L134 PolarHBondContact O-N 3.2Å; R79-V138 PolarHBondContact NH2-O 2.82Å
80	V	92.6	Very high	94.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.5	177.8	170.1	0	0	0	0	108.8	T47 N74 F100 L101 A131 H132 L133	T47-V80 VanDerWaalsContact O-CG2 3.31Å; T47-V80 WeakPolarHBondContact O-CG2 3.36Å; N74-V80 HydrophobicContact CB-CG2 4.44Å; N74-V80 WeakPolarHBondContact OD1-CG2 3.16Å; V80-F100 CarbonylContact O-C 3.53Å; V80-F100 VanDerWaalsContact O-CA 3.3Å; V80-F100 WeakPolarHBondContact O-CA 3.21Å; V80-L101 HydrophobicContact CB-CB 4.28Å; V80-L101 HydrophobicContact CG1-CD1 4.5Å; V80-L101 PolarHBondContact N-O 3.13Å; V80-L101 PolarHBondContact O-N 2.75Å; V80-A131 HydrophobicContact CG1-CB 3.86Å; V80-H132 WeakPolarHBondContact CA-O 3.46Å; V80-L133 HydrophobicContact CG2-CD2 3.86Å
81	A	93.7	Very high	94.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.9	166.8	0	0	0	0	0	109.2	F100 A131 H132 Y146 W147	A81-F100 HydrophobicContact CB-CD1 3.85Å; A81-F100 HydrophobicContact CB-CE1 3.83Å; A81-A131 WeakPolarHBondContact O-CA 3.34Å; A81-H132 PolarHBondContact N-O 2.79Å; A81-H132 PolarHBondContact O-N 2.9Å; A81-H132 VanDerWaalsContact O-N 3.13Å; A81-Y146 HydrophobicContact CB-CD1 4.05Å; A81-Y146 HydrophobicContact CB-CE1 3.27Å; A81-W147 HydrophobicContact CB-CZ2 4.1Å
82	Y	94.6	Very high	94	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.5	174.8	70.4	-90.6	0	0	0	112.1	L72 L84 P96 Y98 G99 L101 I109 V130 W147	L72-Y82 HydrophobicContact CD1-CD1 4.17Å; L72-Y82 HydrophobicContact CD1-CD2 3.65Å; L72-Y82 HydrophobicContact CD1-CE1 4.48Å; L72-Y82 HydrophobicContact CD1-CE2 4.03Å; L72-Y82 HydrophobicContact CD1-CG 3.73Å; Y82-L84 HydrophobicContact CD2-CD1 3.67Å; Y82-L84 HydrophobicContact CE2-CD1 3.75Å; Y82-P96 VanDerWaalsContact OH-CG 3.23Å; Y82-P96 WeakPolarHBondContact OH-CG 3.16Å; Y82-Y98 WeakPolarHBondContact O-CA 2.98Å; Y82-G99 VanDerWaalsContact CD1-C 3.47Å; Y82-G99 VanDerWaalsContact CD1-O 3.23Å; Y82-G99 WeakPolarHBondContact CD1-O 3.15Å; Y82-G99 VanDerWaalsContact CE1-CA 3.42Å; Y82-G99 VanDerWaalsContact CZ-CA 3.46Å; Y82-G99 PolarHBondContact N-O 2.74Å; Y82-G99 PolarHBondContact O-N 3.22Å; Y82-L101 HydrophobicContact CD1-CD1 4.28Å; Y82-L101 HydrophobicContact CD1-CD2 4.39Å; Y82-L101 HydrophobicContact CD1-CG 3.84Å; Y82-L101 HydrophobicContact CE1-CD2 4.12Å; Y82-L101 HydrophobicContact CE1-CG 4.03Å; Y82-I109 HydrophobicContact CE2-CD1 3.82Å; Y82-V130 CarbonylContact C-O 3.44Å; Y82-V130 VanDerWaalsContact CA-O 3.25Å; Y82-V130 WeakPolarHBondContact CA-O 3.38Å; Y82-W147 VanDerWaalsContact C-CZ2 3.46Å; Y82-W147 VanDerWaalsContact C-NE1 3.35Å; Y82-W147 PolarHBondContact O-NE1 2.86Å
83	K	95.4	Very high	94	Very high	27 Å²	27	41.9 Å²	41.9	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145	166.2	64.7	-178.3	169.3	-154.7	0	110.5	S97 Y98 V130 W147 D157	K83-S97 CarbonylContact C-O 3.49Å; K83-S97 WeakPolarHBondContact CA-O 3.45Å; K83-Y98 HydrophobicContact CB-CD1 3.36Å; K83-Y98 HydrophobicContact CB-CE1 3.54Å; K83-Y98 HydrophobicContact CB-CG 4.45Å; K83-Y98 HydrophobicContact CD-CE1 4.43Å; K83-V130 HydrophobicContact CD-CB 4.38Å; K83-V130 HydrophobicContact CG-CB 3.69Å; K83-V130 HydrophobicContact CG-CG1 4.4Å; K83-V130 HydrophobicContact CG-CG2 4.24Å; K83-V130 PolarHBondContact N-O 2.79Å; K83-V130 PolarHBondContact O-N 2.81Å; K83-W147 HydrophobicContact CB-CD2 4.12Å; K83-W147 HydrophobicContact CB-CG 4.42Å; K83-W147 HydrophobicContact CB-CZ2 3.94Å; K83-W147 HydrophobicContact CD-CD2 3.74Å; K83-W147 HydrophobicContact CD-CE3 3.57Å; K83-W147 HydrophobicContact CD-CG 4.4Å; K83-W147 HydrophobicContact CD-CH2 3.91Å; K83-W147 HydrophobicContact CD-CZ2 4.11Å; K83-W147 HydrophobicContact CD-CZ3 3.67Å; K83-W147 HydrophobicContact CG-CD2 4.13Å; K83-W147 HydrophobicContact CG-CE3 4.28Å; K83-W147 HydrophobicContact CG-CH2 3.85Å; K83-W147 HydrophobicContact CG-CZ2 3.73Å; K83-W147 HydrophobicContact CG-CZ3 4.16Å; K83-W147 VanDerWaalsContact NZ-CE3 3.27Å; K83-D157 IonicContact NZ-OD2 3.28Å
84	L	96.4	Very high	94.2	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137	175.5	-66.7	93.4	0	0	0	110.5	I70 Y82 F94 S97 I109 T128	I70-L84 HydrophobicContact CD1-CD2 3.7Å; Y82-L84 HydrophobicContact CD2-CD1 3.67Å; Y82-L84 HydrophobicContact CE2-CD1 3.75Å; L84-F94 HydrophobicContact CB-CB 4.27Å; L84-F94 HydrophobicContact CB-CD1 4.09Å; L84-F94 HydrophobicContact CB-CD2 3.51Å; L84-F94 HydrophobicContact CB-CE1 4.29Å; L84-F94 HydrophobicContact CB-CE2 3.75Å; L84-F94 HydrophobicContact CB-CG 3.69Å; L84-F94 HydrophobicContact CB-CZ 4.12Å; L84-F94 HydrophobicContact CD2-CB 4.21Å; L84-F94 HydrophobicContact CD2-CD1 3.43Å; L84-F94 VanDerWaalsContact CD2-CD1 3.43Å; L84-F94 HydrophobicContact CD2-CD2 4.41Å; L84-F94 HydrophobicContact CD2-CE1 3.79Å; L84-F94 HydrophobicContact CD2-CG 3.76Å; L84-F94 HydrophobicContact CD2-CZ 4.41Å; L84-F94 HydrophobicContact CG-CD1 4.38Å; L84-F94 HydrophobicContact CG-CG 4.28Å; L84-S97 WeakPolarHBondContact CD1-O 3.25Å; L84-S97 PolarHBondContact N-O 2.91Å; L84-I109 HydrophobicContact CD1-CG2 4.23Å; L84-I109 HydrophobicContact CD2-CG2 3.85Å; L84-T128 WeakPolarHBondContact CA-O 3.35Å
85	K	96.4	Very high	94.2	Very high	109 Å²	109	49.2 Å²	49.2	47%	0.474	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.8	175	-64.1	-176.8	172.5	-172.6	0	109.7	C127 T128 V130	K85-C127 CarbonylContact O-C 3.44Å; K85-C127 WeakPolarHBondContact O-CA 3.17Å; K85-T128 PolarHBondContact N-O 2.94Å; K85-T128 PolarHBondContact O-N 2.83Å; K85-V130 HydrophobicContact CD-CG2 4.2Å
86	T	96.8	Very high	94.5	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.202	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.6	175.1	179.3	0	0	0	0	110	S88 P89 I92 F94 R126	T86-S88 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact OG1-N 2.91Å; T86-S88 VanDerWaalsContact OG1-N 3.17Å; T86-P89 HydrophobicContact CG2-CB 4.01Å; T86-I92 HydrophobicContact CG2-CB 4.2Å; T86-I92 HydrophobicContact CG2-CG2 4.4Å; T86-I92 WeakPolarHBondContact OG1-CD1 3.14Å; T86-F94 HydrophobicContact CG2-CE2 4.02Å; T86-F94 HydrophobicContact CG2-CZ 4.46Å; T86-R126 WeakPolarHBondContact CA-O 3.33Å
87	T	95	Very high	94.8	Very high	80 Å²	80	50.6 Å²	50.6	49%	0.491	26%	0.263	S	S	.	.	S	Bend	trans	-71.8	-27.9	169.3	42.6	0	0	0	0	112.8	P89 E125 R126	T87-P89 VanDerWaalsContact C-CD 3.48Å; T87-P89 VanDerWaalsContact O-CD 3.26Å; T87-P89 WeakPolarHBondContact O-CD 3.23Å; T87-E125 PolarHBondContact OG1-OE2 3.28Å; T87-R126 HydrophobicContact CG2-CB 4.07Å; T87-R126 PolarHBondContact N-O 2.9Å; T87-R126 VanDerWaalsContact N-O 3.07Å; T87-R126 PolarHBondContact OG1-N 3.28Å; T87-R126 PolarHBondContact OG1-O 3.3Å
88	S	93.8	Very high	94.9	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.084	26%	0.257	C	S	.	.			trans	-121.5	75.5	-179.4	-78	0	0	0	0	111.9	T86 A90 E91 I92 E125	T86-S88 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact OG1-N 2.91Å; T86-S88 VanDerWaalsContact OG1-N 3.17Å; S88-A90 PolarHBondContact O-N 2.73Å; S88-E91 PolarHBondContact O-N 3.29Å; S88-I92 PolarHBondContact O-N 3.35Å; S88-E125 WeakPolarHBondContact CB-OE2 3.26Å; S88-E125 PolarHBondContact N-OE2 3.36Å; S88-E125 PolarHBondContact OG-OE1 3.36Å; S88-E125 PolarHBondContact OG-OE2 3.45Å
89	P	95.1	Very high	95.2	Very high	80 Å²	80	49.8 Å²	49.8	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.3	-178.9	28.4	-36.1	0	0	0	113.4	T86 T87 K93	T86-P89 HydrophobicContact CG2-CB 4.01Å; T87-P89 VanDerWaalsContact C-CD 3.48Å; T87-P89 VanDerWaalsContact O-CD 3.26Å; T87-P89 WeakPolarHBondContact O-CD 3.23Å; P89-K93 WeakPolarHBondContact O-CE 3.45Å; P89-K93 PolarHBondContact O-NZ 2.92Å
90	A	92.9	Very high	95.3	Very high	71 Å²	71	48.1 Å²	48.1	59%	0.587	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-42.9	171.8	0	0	0	0	0	111.4	S88 L116	S88-A90 PolarHBondContact O-N 2.73Å; A90-L116 HydrophobicContact CB-CD1 4.44Å
91	E	92.8	Very high	95.4	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.033	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-35.7	-172.7	-64.2	173.7	-117.9	0	0	112.7	S88 C113 T114 R115 L116 Q119	S88-E91 PolarHBondContact O-N 3.29Å; E91-C113 CarbonylContact O-C 3.57Å; E91-C113 VanDerWaalsContact O-CA 3.29Å; E91-C113 WeakPolarHBondContact O-CA 3.45Å; E91-T114 WeakPolarHBondContact CA-O 3.38Å; E91-T114 VanDerWaalsContact CB-O 3.25Å; E91-T114 WeakPolarHBondContact CB-O 3.26Å; E91-T114 VanDerWaalsContact CG-O 3.24Å; E91-T114 WeakPolarHBondContact CG-O 3.41Å; E91-T114 PolarHBondContact O-N 2.85Å; E91-R115 WeakPolarHBondContact OE2-CA 3.44Å; E91-L116 HydrophobicContact CG-CD1 4.25Å; E91-L116 HydrophobicContact CG-CG 4.07Å; E91-Q119 PolarHBondContact OE1-NE2 2.84Å; E91-Q119 PolarHBondContact OE1-OE1 3.03Å
92	I	95.4	Very high	95.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122	-171.5	-61.7	168.7	0	0	0	110.5	T86 S88 F94 I111 R112 C113 V164	T86-I92 HydrophobicContact CG2-CB 4.2Å; T86-I92 HydrophobicContact CG2-CG2 4.4Å; T86-I92 WeakPolarHBondContact OG1-CD1 3.14Å; S88-I92 PolarHBondContact O-N 3.35Å; I92-F94 HydrophobicContact CG2-CE1 3.97Å; I92-F94 HydrophobicContact CG2-CE2 4.39Å; I92-F94 HydrophobicContact CG2-CZ 3.82Å; I92-I111 HydrophobicContact CG2-CG2 3.86Å; I92-R112 CarbonylContact C-O 3.6Å; I92-R112 WeakPolarHBondContact CA-O 3.42Å; I92-C113 HydrophobicContact CG1-CB 4.42Å; I92-V164 HydrophobicContact CD1-CG1 4.33Å; I92-V164 HydrophobicContact CD1-CG2 4.21Å
93	K	97.3	Very high	95.4	Very high	117 Å²	117	54.9 Å²	54.9	51%	0.509	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.2	176.5	-54.7	-63.4	-175.1	-177.8	0	111	P89 I111 R112	P89-K93 WeakPolarHBondContact O-CE 3.45Å; P89-K93 PolarHBondContact O-NZ 2.92Å; K93-I111 WeakPolarHBondContact O-CA 3.32Å; K93-R112 HydrophobicContact CB-CB 4.39Å; K93-R112 PolarHBondContact N-O 3.47Å; K93-R112 PolarHBondContact O-N 2.82Å
94	F	97.6	Very high	95.3	Very high	22 Å²	22	59 Å²	59	10%	0.096	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149	177.7	-51.3	-73.1	0	0	0	111.3	L84 T86 I92 S97 I109 L110 I111 C127	L84-F94 HydrophobicContact CB-CB 4.27Å; L84-F94 HydrophobicContact CB-CD1 4.09Å; L84-F94 HydrophobicContact CB-CD2 3.51Å; L84-F94 HydrophobicContact CB-CE1 4.29Å; L84-F94 HydrophobicContact CB-CE2 3.75Å; L84-F94 HydrophobicContact CB-CG 3.69Å; L84-F94 HydrophobicContact CB-CZ 4.12Å; L84-F94 HydrophobicContact CD2-CB 4.21Å; L84-F94 HydrophobicContact CD2-CD1 3.43Å; L84-F94 VanDerWaalsContact CD2-CD1 3.43Å; L84-F94 HydrophobicContact CD2-CD2 4.41Å; L84-F94 HydrophobicContact CD2-CE1 3.79Å; L84-F94 HydrophobicContact CD2-CG 3.76Å; L84-F94 HydrophobicContact CD2-CZ 4.41Å; L84-F94 HydrophobicContact CG-CD1 4.38Å; L84-F94 HydrophobicContact CG-CG 4.28Å; T86-F94 HydrophobicContact CG2-CE2 4.02Å; T86-F94 HydrophobicContact CG2-CZ 4.46Å; I92-F94 HydrophobicContact CG2-CE1 3.97Å; I92-F94 HydrophobicContact CG2-CE2 4.39Å; I92-F94 HydrophobicContact CG2-CZ 3.82Å; F94-S97 PolarHBondContact O-OG 3.41Å; F94-S97 VanDerWaalsContact O-OG 3.14Å; F94-I109 HydrophobicContact CB-CG2 4.31Å; F94-L110 CarbonylContact C-O 3.4Å; F94-L110 WeakPolarHBondContact CA-O 3.3Å; F94-I111 HydrophobicContact CD1-CD1 4.4Å; F94-I111 HydrophobicContact CD1-CG1 4.02Å; F94-I111 HydrophobicContact CD1-CG2 4.11Å; F94-I111 HydrophobicContact CE1-CD1 4.23Å; F94-I111 HydrophobicContact CE1-CG1 4.3Å; F94-I111 HydrophobicContact CE1-CG2 4.02Å; F94-C127 HydrophobicContact CE1-CB 4.28Å; F94-C127 HydrophobicContact CZ-CB 4.08Å; F94-C127 VanDerWaalsContact CZ-SG 3.57Å
95	R	96.6	Very high	95.3	Very high	197 Å²	197	63.8 Å²	63.8	74%	0.743	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	113.8	170.1	-159.7	161	178.1	91.1	-3.2	111.5	L110	R95-L110 PolarHBondContact N-O 2.87Å; R95-L110 PolarHBondContact O-N 2.84Å
96	P	96.8	Very high	95.3	Very high	46 Å²	46	62.9 Å²	62.9	30%	0.299	32%	0.322	S	S	.	.	S	Bend	cis	-71.1	152.7	-12.9	32.7	-37.2	0	0	0	112.8	Y82 I109	Y82-P96 VanDerWaalsContact OH-CG 3.23Å; Y82-P96 WeakPolarHBondContact OH-CG 3.16Å; P96-I109 HydrophobicContact CG-CD1 3.76Å; P96-I109 WeakPolarHBondContact O-CG2 2.97Å
97	S	96.6	Very high	95.3	Very high	41 Å²	41	66 Å²	66	29%	0.287	33%	0.332	S	S	.	.	S	Bend	trans	-85.1	-20.7	175	-52.6	0	0	0	0	113.9	K83 L84 F94	K83-S97 CarbonylContact C-O 3.49Å; K83-S97 WeakPolarHBondContact CA-O 3.45Å; L84-S97 WeakPolarHBondContact CD1-O 3.25Å; L84-S97 PolarHBondContact N-O 2.91Å; F94-S97 PolarHBondContact O-OG 3.41Å; F94-S97 VanDerWaalsContact O-OG 3.14Å
98	Y	95.5	Very high	95.4	Very high	94 Å²	94	68.6 Å²	68.6	37%	0.369	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.4	-178.5	-54	-89.8	0	0	0	108.5	Y82 K83 Y144 W147	Y82-Y98 WeakPolarHBondContact O-CA 2.98Å; K83-Y98 HydrophobicContact CB-CD1 3.36Å; K83-Y98 HydrophobicContact CB-CE1 3.54Å; K83-Y98 HydrophobicContact CB-CG 4.45Å; K83-Y98 HydrophobicContact CD-CE1 4.43Å; Y98-Y144 HydrophobicContact CE2-CD2 4.28Å; Y98-W147 HydrophobicContact CD1-CB 4.31Å; Y98-W147 AromaticContact CD1-CD1 3.54Å; Y98-W147 HydrophobicContact CD1-CG 4.01Å
99	G	95.6	Very high	95.5	Very high	9 Å²	9	68 Å²	68	9%	0.093	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-172.5	171.8	0	0	0	0	0	113.7	Y82 A143	Y82-G99 VanDerWaalsContact CD1-C 3.47Å; Y82-G99 VanDerWaalsContact CD1-O 3.23Å; Y82-G99 WeakPolarHBondContact CD1-O 3.15Å; Y82-G99 VanDerWaalsContact CE1-CA 3.42Å; Y82-G99 VanDerWaalsContact CZ-CA 3.46Å; Y82-G99 PolarHBondContact N-O 2.74Å; Y82-G99 PolarHBondContact O-N 3.22Å; G99-A143 VanDerWaalsContact CA-CB 3.49Å
100	F	94.4	Very high	95.6	Very high	46 Å²	46	67.2 Å²	67.2	20%	0.202	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.2	172.9	-55.5	-67.9	0	0	0	109.9	V80 A81 L134 A140 A143 Y146	V80-F100 CarbonylContact O-C 3.53Å; V80-F100 VanDerWaalsContact O-CA 3.3Å; V80-F100 WeakPolarHBondContact O-CA 3.21Å; A81-F100 HydrophobicContact CB-CD1 3.85Å; A81-F100 HydrophobicContact CB-CE1 3.83Å; F100-L134 HydrophobicContact CD1-CD2 4.23Å; F100-L134 HydrophobicContact CE1-CD1 4.13Å; F100-L134 HydrophobicContact CE1-CD2 4.38Å; F100-A140 HydrophobicContact CE1-CB 4.12Å; F100-A140 HydrophobicContact CE2-CB 3.88Å; F100-A140 HydrophobicContact CZ-CB 3.38Å; F100-A143 HydrophobicContact CD2-CB 4.21Å; F100-A143 HydrophobicContact CE2-CB 3.72Å; F100-A143 HydrophobicContact CZ-CB 3.93Å; F100-Y146 AromaticContact CE1-CD1 3.82Å; F100-Y146 HydrophobicContact CE1-CD1 3.82Å; F100-Y146 HydrophobicContact CE1-CD2 4.44Å; F100-Y146 HydrophobicContact CE1-CE1 4.12Å; F100-Y146 AromaticContact CE1-CG 3.96Å; F100-Y146 HydrophobicContact CE1-CG 3.96Å; F100-Y146 HydrophobicContact CZ-CD1 4.11Å; F100-Y146 HydrophobicContact CZ-CD2 4.46Å; F100-Y146 AromaticContact CZ-CG 3.89Å; F100-Y146 HydrophobicContact CZ-CG 3.89Å
101	L	94.3	Very high	95.8	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.7	168.4	-62.1	170.1	0	0	0	108.4	L72 N74 R79 V80 Y82 K107	L72-L101 HydrophobicContact CB-CD1 3.74Å; L72-L101 HydrophobicContact CB-CD2 4.34Å; N74-L101 HydrophobicContact CB-CB 3.74Å; N74-L101 HydrophobicContact CB-CD1 4.21Å; N74-L101 PolarHBondContact ND2-O 2.78Å; R79-L101 WeakPolarHBondContact CA-O 3.21Å; V80-L101 HydrophobicContact CB-CB 4.28Å; V80-L101 HydrophobicContact CG1-CD1 4.5Å; V80-L101 PolarHBondContact N-O 3.13Å; V80-L101 PolarHBondContact O-N 2.75Å; Y82-L101 HydrophobicContact CD1-CD1 4.28Å; Y82-L101 HydrophobicContact CD1-CD2 4.39Å; Y82-L101 HydrophobicContact CD1-CG 3.84Å; Y82-L101 HydrophobicContact CE1-CD2 4.12Å; Y82-L101 HydrophobicContact CE1-CG 4.03Å; L101-K107 HydrophobicContact CD2-CB 3.33Å; L101-K107 HydrophobicContact CD2-CG 4.3Å
102	Q	94	Very high	96	Very high	100 Å²	100	69.6 Å²	69.6	47%	0.467	32%	0.317	S	S	.	.			trans	-70.5	158	169.2	-63.2	-62	-24.1	0	0	110	N74 R79 F104 Q105	N74-Q102 WeakPolarHBondContact CB-O 3.26Å; N74-Q102 VanDerWaalsContact ND2-C 3.32Å; N74-Q102 PolarHBondContact ND2-O 3.12Å; R79-Q102 VanDerWaalsContact CD-OE1 3.31Å; Q102-F104 PolarHBondContact O-N 2.82Å; Q102-Q105 HydrophobicContact CB-CB 4.11Å; Q102-Q105 HydrophobicContact CB-CG 3.73Å; Q102-Q105 PolarHBondContact O-N 2.88Å
103	P	94.1	Very high	95.9	Very high	38 Å²	38	69.4 Å²	69.4	25%	0.247	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	135	172.3	-28.3	36.7	0	0	0	111.8	S76 T77 Q105	S76-P103 WeakPolarHBondContact O-CA 3.22Å; S76-P103 WeakPolarHBondContact O-CB 3.5Å; T77-P103 WeakPolarHBondContact O-CG 3.42Å; P103-Q105 PolarHBondContact O-N 3.09Å; P103-Q105 VanDerWaalsContact O-N 3.09Å
104	F	95	Very high	95.7	Very high	114 Å²	114	65.7 Å²	65.7	50%	0.5	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	23.2	177	-47.3	-63.6	0	0	0	115.1	N74 T77 Q102	N74-F104 WeakPolarHBondContact O-CA 3.36Å; N74-F104 PolarHBondContact O-N 2.92Å; T77-F104 HydrophobicContact CG2-CE2 4.21Å; T77-F104 HydrophobicContact CG2-CZ 3.78Å; Q102-F104 PolarHBondContact O-N 2.82Å
105	Q	96.3	Very high	95.2	Very high	111 Å²	111	66.1 Å²	66.1	52%	0.519	31%	0.305	S	S	.	.			trans	-106.7	149.5	178.5	-71	-63	-37.1	0	0	112.5	N74 Q102 P103	N74-Q105 PolarHBondContact N-O 2.86Å; Q102-Q105 HydrophobicContact CB-CB 4.11Å; Q102-Q105 HydrophobicContact CB-CG 3.73Å; Q102-Q105 PolarHBondContact O-N 2.88Å; P103-Q105 PolarHBondContact O-N 3.09Å; P103-Q105 VanDerWaalsContact O-N 3.09Å
106	M	95.4	Very high	94.7	Very high	89 Å²	89	60.2 Å²	60.2	44%	0.438	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138	175.9	-174	71.8	73.5	0	0	109.9	K71 L72 Y73	K71-M106 HydrophobicContact CB-CG 4.31Å; K71-M106 HydrophobicContact CB-SD 3.62Å; L72-M106 VanDerWaalsContact C-SD 3.56Å; L72-M106 CarbonylContact O-C 3.47Å; L72-M106 WeakPolarHBondContact O-CA 3.23Å; L72-M106 VanDerWaalsContact O-SD 3.4Å; Y73-M106 HydrophobicContact CD2-CE 4Å; Y73-M106 HydrophobicContact CG-CE 3.91Å
107	K	96.6	Very high	93.7	Very high	98 Å²	98	61 Å²	61	43%	0.426	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.9	172.5	-169.1	72.1	173.8	-176.1	0	110.8	K71 L72 L101 I109	K71-K107 CarbonylContact C-O 3.57Å; K71-K107 WeakPolarHBondContact CA-O 3.23Å; L72-K107 PolarHBondContact N-O 3.49Å; L72-K107 PolarHBondContact O-N 2.95Å; L101-K107 HydrophobicContact CD2-CB 3.33Å; L101-K107 HydrophobicContact CD2-CG 4.3Å; K107-I109 HydrophobicContact CG-CD1 3.88Å
108	K	97.2	Very high	92.4	Very high	136 Å²	136	66.7 Å²	66.7	59%	0.591	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.9	167.7	-174	177.7	-178.3	179.2	0	109.4	S69 I70	S69-K108 VanDerWaalsContact OG-CE 3.22Å; S69-K108 WeakPolarHBondContact OG-CE 3.02Å; I70-K108 WeakPolarHBondContact O-CA 3.33Å
109	I	97	Very high	90.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.3	173.1	-50	-61	0	0	0	107.8	S69 I70 L72 Y82 L84 F94 P96 K107	S69-I109 WeakPolarHBondContact CA-O 3.36Å; S69-I109 WeakPolarHBondContact CB-O 3.3Å; I70-I109 HydrophobicContact CD1-CB 4.46Å; I70-I109 HydrophobicContact CG1-CB 3.77Å; I70-I109 HydrophobicContact CG1-CG1 4.15Å; I70-I109 PolarHBondContact N-O 3.44Å; I70-I109 VanDerWaalsContact N-O 3.08Å; I70-I109 PolarHBondContact O-N 2.96Å; L72-I109 HydrophobicContact CD1-CD1 4.35Å; L72-I109 HydrophobicContact CD1-CG1 4Å; L72-I109 HydrophobicContact CG-CG1 4.12Å; Y82-I109 HydrophobicContact CE2-CD1 3.82Å; L84-I109 HydrophobicContact CD1-CG2 4.23Å; L84-I109 HydrophobicContact CD2-CG2 3.85Å; F94-I109 HydrophobicContact CB-CG2 4.31Å; P96-I109 HydrophobicContact CG-CD1 3.76Å; P96-I109 WeakPolarHBondContact O-CG2 2.97Å; K107-I109 HydrophobicContact CG-CD1 3.88Å
110	L	97.2	Very high	88.9	Confident	63 Å²	63	69.6 Å²	69.6	33%	0.33	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	135.9	173.6	-173.1	71	0	0	0	109.5	L67 F94 R95	L67-L110 HydrophobicContact CB-CD1 4.37Å; L67-L110 HydrophobicContact CD2-CD1 4.32Å; L67-L110 HydrophobicContact CD2-CD2 4.35Å; L67-L110 HydrophobicContact CD2-CG 4.45Å; F94-L110 CarbonylContact C-O 3.4Å; F94-L110 WeakPolarHBondContact CA-O 3.3Å; R95-L110 PolarHBondContact N-O 2.87Å; R95-L110 PolarHBondContact O-N 2.84Å
111	I	96.9	Very high	87.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.6	176	-46.3	-175.7	0	0	0	107.2	I56 F58 L67 A68 I70 I92 K93 F94	I56-I111 HydrophobicContact CD1-CD1 3.42Å; I56-I111 VanDerWaalsContact CD1-CD1 3.42Å; I56-I111 HydrophobicContact CG1-CD1 4.22Å; I56-I111 HydrophobicContact CG2-CD1 4.49Å; F58-I111 HydrophobicContact CZ-CB 4.31Å; F58-I111 HydrophobicContact CZ-CG2 3.86Å; L67-I111 WeakPolarHBondContact CA-O 3.5Å; A68-I111 HydrophobicContact CB-CB 4.37Å; A68-I111 PolarHBondContact N-O 2.81Å; A68-I111 PolarHBondContact O-N 2.86Å; I70-I111 HydrophobicContact CB-CD1 4.48Å; I70-I111 HydrophobicContact CG1-CD1 4.29Å; I70-I111 HydrophobicContact CG2-CD1 3.66Å; I92-I111 HydrophobicContact CG2-CG2 3.86Å; K93-I111 WeakPolarHBondContact O-CA 3.32Å; F94-I111 HydrophobicContact CD1-CD1 4.4Å; F94-I111 HydrophobicContact CD1-CG1 4.02Å; F94-I111 HydrophobicContact CD1-CG2 4.11Å; F94-I111 HydrophobicContact CE1-CD1 4.23Å; F94-I111 HydrophobicContact CE1-CG1 4.3Å; F94-I111 HydrophobicContact CE1-CG2 4.02Å
112	R	96.2	Very high	86.3	Confident	127 Å²	127	80.8 Å²	80.8	48%	0.479	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.6	172.2	-63.5	-179.8	62.7	174.2	-1.8	107.9	T65 Q66 L67 I92 K93	T65-R112 HydrophobicContact CG2-CB 4.17Å; T65-R112 HydrophobicContact CG2-CG 4.46Å; Q66-R112 WeakPolarHBondContact O-CA 3.45Å; L67-R112 HydrophobicContact CD2-CB 4.4Å; L67-R112 HydrophobicContact CD2-CG 3.6Å; I92-R112 CarbonylContact C-O 3.6Å; I92-R112 WeakPolarHBondContact CA-O 3.42Å; K93-R112 HydrophobicContact CB-CB 4.39Å; K93-R112 PolarHBondContact N-O 3.47Å; K93-R112 PolarHBondContact O-N 2.82Å
113	C	94.4	Very high	85.4	Confident	0 Å²	0	82 Å²	82	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.5	174.1	-177.2	0	0	0	0	109.4	F58 Q66 E91 I92	F58-C113 HydrophobicContact CD1-CB 3.75Å; F58-C113 HydrophobicContact CD2-CB 3.96Å; F58-C113 HydrophobicContact CE1-CB 3.52Å; F58-C113 HydrophobicContact CE2-CB 3.76Å; F58-C113 HydrophobicContact CG-CB 3.96Å; F58-C113 HydrophobicContact CZ-CB 3.53Å; Q66-C113 PolarHBondContact N-O 2.9Å; Q66-C113 PolarHBondContact O-N 3.08Å; E91-C113 CarbonylContact O-C 3.57Å; E91-C113 VanDerWaalsContact O-CA 3.29Å; E91-C113 WeakPolarHBondContact O-CA 3.45Å; I92-C113 HydrophobicContact CG1-CB 4.42Å
114	T	92.8	Very high	85	Confident	40 Å²	40	85.4 Å²	85.4	25%	0.245	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	108.3	171.4	-53.9	0	0	0	0	107.4	T65 E91	T65-T114 WeakPolarHBondContact CA-OG1 3.44Å; T65-T114 PolarHBondContact OG1-OG1 3.31Å; E91-T114 WeakPolarHBondContact CA-O 3.38Å; E91-T114 VanDerWaalsContact CB-O 3.25Å; E91-T114 WeakPolarHBondContact CB-O 3.26Å; E91-T114 VanDerWaalsContact CG-O 3.24Å; E91-T114 WeakPolarHBondContact CG-O 3.41Å; E91-T114 PolarHBondContact O-N 2.85Å
115	R	87.3	Confident	84.7	Confident	31 Å²	31	80.4 Å²	80.4	12%	0.117	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-75.7	137	-179.1	-63.8	-168.3	80.6	-159.9	-2.1	111.2	F62 D63 E91 F166	F62-R115 HydrophobicContact CD1-CB 3.69Å; F62-R115 HydrophobicContact CE1-CB 4.24Å; D63-R115 PolarHBondContact N-O 2.83Å; E91-R115 WeakPolarHBondContact OE2-CA 3.44Å; R115-F166 VanDerWaalsContact CD-CD1 3.44Å; R115-F166 VanDerWaalsContact CD-CE1 3.42Å; R115-F166 HydrophobicContact CG-CD1 4.12Å; R115-F166 HydrophobicContact CG-CE1 3.6Å; R115-F166 HydrophobicContact CG-CZ 4.09Å
116	L	84.3	Confident	84.6	Confident	73 Å²	73	80.8 Å²	80.8	38%	0.382	39%	0.394	S	S	.	.			trans	-94.5	135.2	175.6	-61.5	173.8	0	0	0	110.1	A90 E91 D118 Q119	A90-L116 HydrophobicContact CB-CD1 4.44Å; E91-L116 HydrophobicContact CG-CD1 4.25Å; E91-L116 HydrophobicContact CG-CG 4.07Å; L116-D118 VanDerWaalsContact C-N 3.3Å; L116-D118 PolarHBondContact O-N 3.08Å; L116-Q119 PolarHBondContact O-N 3.07Å
117	P	76.1	Confident	84.7	Confident	62 Å²	62	76.7 Å²	76.7	40%	0.403	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.2	-173.5	24.2	-33.8	0	0	0	114.1	D63 Q119	D63-P117 VanDerWaalsContact OD1-CD 3.28Å; D63-P117 WeakPolarHBondContact OD1-CD 3.31Å; P117-Q119 PolarHBondContact O-N 2.87Å
118	D	68.9	Low	84.6	Confident	161 Å²	161	73.6 Å²	73.6	86%	0.861	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	5.8	-178.6	-73.3	-22.8	0	0	0	114.4	L116	L116-D118 VanDerWaalsContact C-N 3.3Å; L116-D118 PolarHBondContact O-N 3.08Å
119	Q	61.3	Low	84.6	Confident	29 Å²	29	67.3 Å²	67.3	14%	0.136	34%	0.336	C	S	.	.			trans	-117.8	47.3	-175.7	-61.1	-169.5	42.2	0	0	112.9	E91 L116 P117 V121	E91-Q119 PolarHBondContact OE1-NE2 2.84Å; E91-Q119 PolarHBondContact OE1-OE1 3.03Å; L116-Q119 PolarHBondContact O-N 3.07Å; P117-Q119 PolarHBondContact O-N 2.87Å; Q119-V121 PolarHBondContact O-N 3.21Å
120	D	57.7	Low	84.4	Confident	135 Å²	135	67.4 Å²	67.4	72%	0.722	34%	0.336	S	S	*	.			trans	-73.3	11	-178.1	-122.2	-0.5	0	0	0	114.9
121	V	65.4	Low	84.2	Confident	104 Å²	104	64.8 Å²	64.8	63%	0.63	32%	0.324	S	S	*	.	S	Bend	trans	-81.2	133.7	167.6	-178.7	0	0	0	0	107.7	Q119 R123	Q119-V121 PolarHBondContact O-N 3.21Å; V121-R123 WeakPolarHBondContact O-CG 3.44Å; V121-R123 PolarHBondContact O-N 2.87Å
122	E	68.2	Low	83.9	Confident	186 Å²	186	65 Å²	65	87%	0.869	33%	0.325	S	S	*	.			trans	-58.4	85.1	169.9	-70.9	-174.6	159.1	0	0	110.2
123	R	75.9	Confident	83.6	Confident	125 Å²	125	61.4 Å²	61.4	47%	0.472	32%	0.315	S	S	.	.			trans	-82.5	129.3	177.8	-70.3	179.2	-172.7	-157.5	2	108.9	V121 E125	V121-R123 WeakPolarHBondContact O-CG 3.44Å; V121-R123 PolarHBondContact O-N 2.87Å; R123-E125 HydrophobicContact CB-CG 4.4Å; R123-E125 PolarHBondContact O-N 3.03Å
124	T	84	Confident	83.4	Confident	109 Å²	109	61.7 Å²	61.7	67%	0.669	32%	0.317	S	S	*	.			trans	-74.7	93.8	168.2	-50.6	0	0	0	0	109.2	R126	T124-R126 HydrophobicContact CG2-CG 4.44Å
125	E	90	Very high	82.9	Confident	9 Å²	9	61.4 Å²	61.4	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.8	178.2	-68.8	-58.9	159.8	0	0	111.7	T87 S88 R123 V164 F166	T87-E125 PolarHBondContact OG1-OE2 3.28Å; S88-E125 WeakPolarHBondContact CB-OE2 3.26Å; S88-E125 PolarHBondContact N-OE2 3.36Å; S88-E125 PolarHBondContact OG-OE1 3.36Å; S88-E125 PolarHBondContact OG-OE2 3.45Å; R123-E125 HydrophobicContact CB-CG 4.4Å; R123-E125 PolarHBondContact O-N 3.03Å; E125-V164 HydrophobicContact CB-CB 3.71Å; E125-V164 HydrophobicContact CB-CG1 4.21Å; E125-V164 HydrophobicContact CB-CG2 4.4Å; E125-V164 PolarHBondContact O-N 2.77Å; E125-F166 HydrophobicContact CB-CE2 4.38Å; E125-F166 HydrophobicContact CG-CE2 3.99Å; E125-F166 HydrophobicContact CG-CZ 4.41Å
126	R	94.6	Very high	82.7	Confident	120 Å²	120	69.8 Å²	69.8	45%	0.453	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.1	-177.2	-62.3	177.5	68.9	178	4.7	111.3	T86 T87 T124 P161 L162	T86-R126 WeakPolarHBondContact CA-O 3.33Å; T87-R126 HydrophobicContact CG2-CB 4.07Å; T87-R126 PolarHBondContact N-O 2.9Å; T87-R126 VanDerWaalsContact N-O 3.07Å; T87-R126 PolarHBondContact OG1-N 3.28Å; T87-R126 PolarHBondContact OG1-O 3.3Å; T124-R126 HydrophobicContact CG2-CG 4.44Å; R126-P161 VanDerWaalsContact NH2-CB 3.28Å; R126-L162 CarbonylContact C-O 3.59Å; R126-L162 WeakPolarHBondContact CA-O 3.29Å
127	C	96.1	Very high	82.5	Confident	3 Å²	3	70 Å²	70	2%	0.02	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	151.2	161.2	-65.7	0	0	0	0	109.3	I56 K85 F94 L162 V164	I56-C127 HydrophobicContact CD1-CB 4.1Å; K85-C127 CarbonylContact O-C 3.44Å; K85-C127 WeakPolarHBondContact O-CA 3.17Å; F94-C127 HydrophobicContact CE1-CB 4.28Å; F94-C127 HydrophobicContact CZ-CB 4.08Å; F94-C127 VanDerWaalsContact CZ-SG 3.57Å; C127-L162 HydrophobicContact CB-CB 4.22Å; C127-L162 PolarHBondContact N-O 2.96Å; C127-L162 PolarHBondContact O-N 2.89Å; C127-V164 HydrophobicContact CB-CG2 4.46Å
128	T	96.1	Very high	82.8	Confident	33 Å²	33	69.2 Å²	69.2	20%	0.202	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	122.7	174.1	-58.2	0	0	0	0	109.8	L84 K85 V130 K159 H160	L84-T128 WeakPolarHBondContact CA-O 3.35Å; K85-T128 PolarHBondContact N-O 2.94Å; K85-T128 PolarHBondContact O-N 2.83Å; T128-V130 HydrophobicContact CG2-CG2 4.05Å; T128-K159 HydrophobicContact CG2-CB 4.15Å; T128-H160 WeakPolarHBondContact CA-O 3.44Å
129	V	95.5	Very high	83.2	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.2	167	-177.1	0	0	0	0	107.5	V50 I70 L72 K159 H160	V50-V129 HydrophobicContact CG1-CG2 4.11Å; V50-V129 HydrophobicContact CG2-CB 4.22Å; V50-V129 HydrophobicContact CG2-CG1 4.34Å; V50-V129 HydrophobicContact CG2-CG2 4.21Å; I70-V129 HydrophobicContact CD1-CG2 3.69Å; L72-V129 HydrophobicContact CD1-CG1 4.21Å; L72-V129 HydrophobicContact CD2-CB 4.5Å; L72-V129 HydrophobicContact CD2-CG1 3.89Å; L72-V129 HydrophobicContact CD2-CG2 3.92Å; V129-K159 CarbonylContact O-C 3.54Å; V129-K159 WeakPolarHBondContact O-CA 3.33Å; V129-H160 HydrophobicContact CB-CB 4.2Å; V129-H160 PolarHBondContact N-O 2.85Å; V129-H160 PolarHBondContact O-N 2.91Å
130	V	93.5	Very high	83.8	Confident	1 Å²	1	70 Å²	70	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.8	172	-173.1	0	0	0	0	107.6	Y82 K83 K85 T128 W147 D157 K158 K159	Y82-V130 CarbonylContact C-O 3.44Å; Y82-V130 VanDerWaalsContact CA-O 3.25Å; Y82-V130 WeakPolarHBondContact CA-O 3.38Å; K83-V130 HydrophobicContact CD-CB 4.38Å; K83-V130 HydrophobicContact CG-CB 3.69Å; K83-V130 HydrophobicContact CG-CG1 4.4Å; K83-V130 HydrophobicContact CG-CG2 4.24Å; K83-V130 PolarHBondContact N-O 2.79Å; K83-V130 PolarHBondContact O-N 2.81Å; K85-V130 HydrophobicContact CD-CG2 4.2Å; T128-V130 HydrophobicContact CG2-CG2 4.05Å; V130-W147 HydrophobicContact CG1-CH2 4.23Å; V130-D157 HydrophobicContact CG1-CB 3.72Å; V130-D157 VanDerWaalsContact CG1-OD2 3.26Å; V130-D157 WeakPolarHBondContact CG1-OD2 3.42Å; V130-K158 WeakPolarHBondContact CA-O 3.13Å; V130-K159 HydrophobicContact CG1-CG 4.45Å; V130-K159 HydrophobicContact CG2-CG 4.32Å
131	A	92.9	Very high	84.8	Confident	8 Å²	8	70.7 Å²	70.7	7%	0.066	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.4	-176.8	0	0	0	0	0	112.3	V80 A81 K158	V80-A131 HydrophobicContact CG1-CB 3.86Å; A81-A131 WeakPolarHBondContact O-CA 3.34Å; A131-K158 PolarHBondContact N-O 3.1Å; A131-K158 WeakPolarHBondContact O-CB 3.12Å; A131-K158 PolarHBondContact O-N 2.67Å
132	H	90.5	Very high	86	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.019	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	163.7	173.8	64.6	-83	0	0	0	110.7	V80 A81 L134 Y146 W147 M150 D157	V80-H132 WeakPolarHBondContact CA-O 3.46Å; A81-H132 PolarHBondContact N-O 2.79Å; A81-H132 PolarHBondContact O-N 2.9Å; A81-H132 VanDerWaalsContact O-N 3.13Å; H132-L134 PolarHBondContact O-N 3.46Å; H132-Y146 AromaticContact CE1-CE1 3.77Å; H132-Y146 AromaticContact NE2-CE1 3.7Å; H132-Y146 AromaticContact NE2-CZ 3.57Å; H132-Y146 PolarHBondContact NE2-OH 3.2Å; H132-W147 AromaticContact CE1-CH2 3.23Å; H132-W147 WeakPolarHBondContact CE1-CH2 3.43Å; H132-W147 AromaticContact CE1-CZ2 3.75Å; H132-W147 AromaticContact CE1-CZ3 3.45Å; H132-W147 VanDerWaalsContact CE1-CZ3 3.45Å; H132-W147 WeakPolarHBondContact CE1-CZ3 3.29Å; H132-W147 AromaticContact ND1-CH2 3.14Å; H132-W147 WeakPolarHBondContact ND1-CH2 3.46Å; H132-W147 AromaticContact ND1-CZ2 3.81Å; H132-W147 AromaticContact ND1-CZ3 3.7Å; H132-M150 PolarHBondContact NE2-SD 3.18Å; H132-D157 IonicContact CG-OD1 3.35Å; H132-D157 IonicContact ND1-OD1 3.01Å
133	L	90.7	Very high	87.2	Confident	52 Å²	52	61 Å²	61	27%	0.272	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.8	176.6	-62.8	171.5	0	0	0	109.8	T47 E78 V80 P135	T47-L133 HydrophobicContact CG2-CD1 3.87Å; T47-L133 HydrophobicContact CG2-CD2 3.87Å; T47-L133 HydrophobicContact CG2-CG 3.57Å; E78-L133 HydrophobicContact CB-CD2 3.97Å; V80-L133 HydrophobicContact CG2-CD2 3.86Å; L133-P135 WeakPolarHBondContact O-CD 3.22Å
134	L	88.7	Confident	88	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.9	120.3	174.5	-176.5	62.6	0	0	0	108.5	R79 F100 H132 V138 Y146	R79-L134 HydrophobicContact CB-CB 4.02Å; R79-L134 HydrophobicContact CB-CD2 3.98Å; R79-L134 WeakPolarHBondContact O-CB 3.26Å; R79-L134 PolarHBondContact O-N 3.2Å; F100-L134 HydrophobicContact CD1-CD2 4.23Å; F100-L134 HydrophobicContact CE1-CD1 4.13Å; F100-L134 HydrophobicContact CE1-CD2 4.38Å; H132-L134 PolarHBondContact O-N 3.46Å; L134-V138 HydrophobicContact CD1-CB 3.94Å; L134-V138 HydrophobicContact CD1-CG1 3.69Å; L134-V138 HydrophobicContact CG-CB 4.19Å; L134-V138 HydrophobicContact CG-CG1 4.38Å; L134-Y146 HydrophobicContact CD1-CD2 4Å; L134-Y146 HydrophobicContact CD1-CE1 4.28Å; L134-Y146 HydrophobicContact CD1-CE2 3.14Å; L134-Y146 WeakPolarHBondContact CD1-OH 3.47Å
135	P	84.1	Confident	88.3	Confident	34 Å²	34	60.4 Å²	60.4	22%	0.221	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-56.5	145.3	-178.5	-26.1	34.7	0	0	0	112.3	L133 G137 V138 M150 L155	L133-P135 WeakPolarHBondContact O-CD 3.22Å; P135-G137 PolarHBondContact O-N 3.28Å; P135-V138 HydrophobicContact CB-CG2 3.96Å; P135-V138 HydrophobicContact CG-CG2 4.4Å; P135-V138 WeakPolarHBondContact O-CB 3Å; P135-V138 WeakPolarHBondContact O-CG2 3.35Å; P135-V138 PolarHBondContact O-N 3.01Å; P135-M150 HydrophobicContact CG-CE 4.31Å; P135-L155 HydrophobicContact CG-CD1 4.36Å; P135-L155 HydrophobicContact CG-CD2 4.25Å
136	R	81.8	Confident	88.3	Confident	206 Å²	206	60.5 Å²	60.5	78%	0.777	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	139.8	178.2	-65.6	-175.6	-179.5	-167.2	1.6	110.1	E78 V138	E78-R136 IonicContact OE1-CZ 3.93Å; E78-R136 IonicContact OE1-NE 2.97Å; E78-R136 PolarHBondContact OE1-NE 2.89Å; E78-R136 IonicContact OE1-NH2 3.54Å; R136-V138 VanDerWaalsContact C-N 3.3Å; R136-V138 PolarHBondContact O-N 2.75Å
137	G	80.5	Confident	88.1	Confident	77 Å²	77	55.4 Å²	55.4	79%	0.794	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-16	-177.6	0	0	0	0	0	115.1	P135 K139	P135-G137 PolarHBondContact O-N 3.28Å; G137-K139 PolarHBondContact O-N 2.81Å; G137-K139 VanDerWaalsContact O-N 3.12Å
138	V	81.7	Confident	87.7	Confident	46 Å²	46	61.5 Å²	61.5	28%	0.279	32%	0.322	S	S	.	.			trans	-71.5	110.3	176.8	179.4	0	0	0	0	110.3	R79 L134 P135 R136 A140 Y146	R79-V138 PolarHBondContact NH2-O 2.82Å; L134-V138 HydrophobicContact CD1-CB 3.94Å; L134-V138 HydrophobicContact CD1-CG1 3.69Å; L134-V138 HydrophobicContact CG-CB 4.19Å; L134-V138 HydrophobicContact CG-CG1 4.38Å; P135-V138 HydrophobicContact CB-CG2 3.96Å; P135-V138 HydrophobicContact CG-CG2 4.4Å; P135-V138 WeakPolarHBondContact O-CB 3Å; P135-V138 WeakPolarHBondContact O-CG2 3.35Å; P135-V138 PolarHBondContact O-N 3.01Å; R136-V138 VanDerWaalsContact C-N 3.3Å; R136-V138 PolarHBondContact O-N 2.75Å; V138-A140 VanDerWaalsContact C-N 3.29Å; V138-A140 HydrophobicContact CG1-CB 3.82Å; V138-A140 PolarHBondContact O-N 2.84Å; V138-Y146 HydrophobicContact CG1-CD2 4.15Å; V138-Y146 HydrophobicContact CG1-CE2 3.99Å
139	K	78.1	Confident	87.2	Confident	186 Å²	186	63.9 Å²	63.9	81%	0.809	34%	0.339	S	S	*	.			trans	-93.9	52.4	171.4	-64	-175.5	-177.9	178.7	0	110.7	G137 V141	G137-K139 PolarHBondContact O-N 2.81Å; G137-K139 VanDerWaalsContact O-N 3.12Å; K139-V141 PolarHBondContact O-N 2.81Å; K139-V141 VanDerWaalsContact O-N 3.08Å
140	A	74.4	Confident	86.5	Confident	22 Å²	22	64.8 Å²	64.8	18%	0.182	34%	0.344	C	S	.	.			trans	-59.9	118.5	177.1	0	0	0	0	0	109.4	F100 V138 Y146	F100-A140 HydrophobicContact CE1-CB 4.12Å; F100-A140 HydrophobicContact CE2-CB 3.88Å; F100-A140 HydrophobicContact CZ-CB 3.38Å; V138-A140 VanDerWaalsContact C-N 3.29Å; V138-A140 HydrophobicContact CG1-CB 3.82Å; V138-A140 PolarHBondContact O-N 2.84Å; A140-Y146 HydrophobicContact CB-CD2 3.86Å; A140-Y146 HydrophobicContact CB-CG 4.22Å
141	V	79.1	Confident	85.2	Confident	149 Å²	149	71.6 Å²	71.6	90%	0.903	38%	0.377	S	S	*	.	S	Bend	trans	-84.7	-42.2	176.7	-177.5	0	0	0	0	109.3	K139	K139-V141 PolarHBondContact O-N 2.81Å; K139-V141 VanDerWaalsContact O-N 3.08Å
142	D	90.9	Very high	83.5	Confident	74 Å²	74	80.5 Å²	80.5	40%	0.396	42%	0.415	S	S	.	.			trans	-114.1	135.2	179.8	-178.5	68.8	0	0	0	111.7	Y144 D145 Y146	D142-Y144 VanDerWaalsContact OD2-CA 3.29Å; D142-Y144 WeakPolarHBondContact OD2-CA 3.49Å; D142-Y144 VanDerWaalsContact OD2-CB 3.22Å; D142-Y144 WeakPolarHBondContact OD2-CB 3.34Å; D142-Y144 PolarHBondContact OD2-N 2.89Å; D142-D145 HydrophobicContact CB-CB 4.31Å; D142-D145 PolarHBondContact OD2-N 2.84Å; D142-Y146 WeakPolarHBondContact O-CB 3.33Å; D142-Y146 PolarHBondContact O-N 2.9Å
143	A	92.9	Very high	82.5	Confident	12 Å²	12	83.7 Å²	83.7	10%	0.099	44%	0.435	C	S	.	.	H	α-helix	trans	-78.5	-32.1	-177.7	0	0	0	0	0	112.4	G99 F100 W147	G99-A143 VanDerWaalsContact CA-CB 3.49Å; F100-A143 HydrophobicContact CD2-CB 4.21Å; F100-A143 HydrophobicContact CE2-CB 3.72Å; F100-A143 HydrophobicContact CZ-CB 3.93Å; A143-W147 PolarHBondContact O-N 2.91Å
144	Y	91.4	Very high	81.6	Confident	128 Å²	128	91.6 Å²	91.6	50%	0.502	47%	0.467	S	S	.	.	H	α-helix	trans	-68.2	-47.2	179.4	172.7	-95	0	0	0	110.8	Y98 D142 Y146 W147 K148	Y98-Y144 HydrophobicContact CE2-CD2 4.28Å; D142-Y144 VanDerWaalsContact OD2-CA 3.29Å; D142-Y144 WeakPolarHBondContact OD2-CA 3.49Å; D142-Y144 VanDerWaalsContact OD2-CB 3.22Å; D142-Y144 WeakPolarHBondContact OD2-CB 3.34Å; D142-Y144 PolarHBondContact OD2-N 2.89Å; Y144-Y146 VanDerWaalsContact C-N 3.33Å; Y144-Y146 PolarHBondContact O-N 3.16Å; Y144-W147 PolarHBondContact O-N 3.32Å; Y144-K148 HydrophobicContact CE1-CD 4.38Å; Y144-K148 WeakPolarHBondContact O-CB 3.32Å; Y144-K148 PolarHBondContact O-N 3.29Å
145	D	90	Very high	81.1	Confident	94 Å²	94	94 Å²	94	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-40.1	176.5	-70.8	-25.1	0	0	0	111.9	D142 K148 S149	D142-D145 HydrophobicContact CB-CB 4.31Å; D142-D145 PolarHBondContact OD2-N 2.84Å; D145-K148 PolarHBondContact O-N 2.83Å; D145-S149 WeakPolarHBondContact O-CB 3.49Å; D145-S149 PolarHBondContact O-N 2.9Å; D145-S149 PolarHBondContact O-OG 3.04Å
146	Y	91.2	Very high	80.9	Confident	11 Å²	11	99.1 Å²	99.1	4%	0.043	50%	0.503	C	S	.	.	H	α-helix	trans	-55.6	-52.9	171.5	172.8	-98.1	0	0	0	111.8	A81 F100 H132 L134 V138 A140 D142 Y144 K148 S149 M150	A81-Y146 HydrophobicContact CB-CD1 4.05Å; A81-Y146 HydrophobicContact CB-CE1 3.27Å; F100-Y146 AromaticContact CE1-CD1 3.82Å; F100-Y146 HydrophobicContact CE1-CD1 3.82Å; F100-Y146 HydrophobicContact CE1-CD2 4.44Å; F100-Y146 HydrophobicContact CE1-CE1 4.12Å; F100-Y146 AromaticContact CE1-CG 3.96Å; F100-Y146 HydrophobicContact CE1-CG 3.96Å; F100-Y146 HydrophobicContact CZ-CD1 4.11Å; F100-Y146 HydrophobicContact CZ-CD2 4.46Å; F100-Y146 AromaticContact CZ-CG 3.89Å; F100-Y146 HydrophobicContact CZ-CG 3.89Å; H132-Y146 AromaticContact CE1-CE1 3.77Å; H132-Y146 AromaticContact NE2-CE1 3.7Å; H132-Y146 AromaticContact NE2-CZ 3.57Å; H132-Y146 PolarHBondContact NE2-OH 3.2Å; L134-Y146 HydrophobicContact CD1-CD2 4Å; L134-Y146 HydrophobicContact CD1-CE1 4.28Å; L134-Y146 HydrophobicContact CD1-CE2 3.14Å; L134-Y146 WeakPolarHBondContact CD1-OH 3.47Å; V138-Y146 HydrophobicContact CG1-CD2 4.15Å; V138-Y146 HydrophobicContact CG1-CE2 3.99Å; A140-Y146 HydrophobicContact CB-CD2 3.86Å; A140-Y146 HydrophobicContact CB-CG 4.22Å; D142-Y146 WeakPolarHBondContact O-CB 3.33Å; D142-Y146 PolarHBondContact O-N 2.9Å; Y144-Y146 VanDerWaalsContact C-N 3.33Å; Y144-Y146 PolarHBondContact O-N 3.16Å; Y146-K148 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 2.83Å; Y146-S149 PolarHBondContact O-N 3.14Å; Y146-S149 PolarHBondContact O-OG 3.32Å; Y146-M150 HydrophobicContact CD1-SD 4.23Å; Y146-M150 HydrophobicContact CD2-CE 4.16Å; Y146-M150 HydrophobicContact CD2-SD 4.43Å; Y146-M150 HydrophobicContact CE1-CE 4.02Å; Y146-M150 HydrophobicContact CE1-CG 4.36Å; Y146-M150 HydrophobicContact CE1-SD 3.44Å; Y146-M150 WeakPolarHBondContact CE1-SD 3.37Å; Y146-M150 HydrophobicContact CE2-CE 3.18Å; Y146-M150 HydrophobicContact CE2-CG 4.26Å; Y146-M150 HydrophobicContact CE2-SD 3.72Å; Y146-M150 WeakPolarHBondContact O-CB 3.41Å; Y146-M150 VanDerWaalsContact O-CG 3.31Å; Y146-M150 WeakPolarHBondContact O-CG 3.42Å; Y146-M150 PolarHBondContact O-N 3.07Å; Y146-M150 VanDerWaalsContact O-N 3.08Å; Y146-M150 WeakPolarHBondContact OH-CE 2.93Å; Y146-M150 PolarHBondContact OH-SD 2.87Å
147	W	89.8	Confident	81.1	Confident	13 Å²	13	92 Å²	92	5%	0.049	48%	0.481	C	S	.	.	H	α-helix	trans	-66.8	-30	180	-80.3	113.2	0	0	0	113.4	A81 Y82 K83 Y98 V130 H132 A143 Y144	A81-W147 HydrophobicContact CB-CZ2 4.1Å; Y82-W147 VanDerWaalsContact C-CZ2 3.46Å; Y82-W147 VanDerWaalsContact C-NE1 3.35Å; Y82-W147 PolarHBondContact O-NE1 2.86Å; K83-W147 HydrophobicContact CB-CD2 4.12Å; K83-W147 HydrophobicContact CB-CG 4.42Å; K83-W147 HydrophobicContact CB-CZ2 3.94Å; K83-W147 HydrophobicContact CD-CD2 3.74Å; K83-W147 HydrophobicContact CD-CE3 3.57Å; K83-W147 HydrophobicContact CD-CG 4.4Å; K83-W147 HydrophobicContact CD-CH2 3.91Å; K83-W147 HydrophobicContact CD-CZ2 4.11Å; K83-W147 HydrophobicContact CD-CZ3 3.67Å; K83-W147 HydrophobicContact CG-CD2 4.13Å; K83-W147 HydrophobicContact CG-CE3 4.28Å; K83-W147 HydrophobicContact CG-CH2 3.85Å; K83-W147 HydrophobicContact CG-CZ2 3.73Å; K83-W147 HydrophobicContact CG-CZ3 4.16Å; K83-W147 VanDerWaalsContact NZ-CE3 3.27Å; Y98-W147 HydrophobicContact CD1-CB 4.31Å; Y98-W147 AromaticContact CD1-CD1 3.54Å; Y98-W147 HydrophobicContact CD1-CG 4.01Å; V130-W147 HydrophobicContact CG1-CH2 4.23Å; H132-W147 AromaticContact CE1-CH2 3.23Å; H132-W147 WeakPolarHBondContact CE1-CH2 3.43Å; H132-W147 AromaticContact CE1-CZ2 3.75Å; H132-W147 AromaticContact CE1-CZ3 3.45Å; H132-W147 VanDerWaalsContact CE1-CZ3 3.45Å; H132-W147 WeakPolarHBondContact CE1-CZ3 3.29Å; H132-W147 AromaticContact ND1-CH2 3.14Å; H132-W147 WeakPolarHBondContact ND1-CH2 3.46Å; H132-W147 AromaticContact ND1-CZ2 3.81Å; H132-W147 AromaticContact ND1-CZ3 3.7Å; A143-W147 PolarHBondContact O-N 2.91Å; Y144-W147 PolarHBondContact O-N 3.32Å
148	K	87.8	Confident	81.5	Confident	131 Å²	131	91.2 Å²	91.2	57%	0.57	46%	0.455	S	S	*	.	H	α-helix	trans	-69.5	-44.8	175.6	-170.9	179.4	179.1	-174.3	0	111.8	Y144 D145 Y146 M150 M151	Y144-K148 HydrophobicContact CE1-CD 4.38Å; Y144-K148 WeakPolarHBondContact O-CB 3.32Å; Y144-K148 PolarHBondContact O-N 3.29Å; D145-K148 PolarHBondContact O-N 2.83Å; Y146-K148 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 2.83Å; K148-M150 VanDerWaalsContact C-N 3.3Å; K148-M150 PolarHBondContact O-N 2.88Å; K148-M151 WeakPolarHBondContact O-CG 3.41Å
149	S	85.6	Confident	82	Confident	82 Å²	82	95.7 Å²	95.7	57%	0.573	47%	0.471	S	S	*	.	H	α-helix	trans	-68.4	-27.8	177.5	59.5	0	0	0	0	113.3	D145 Y146 M151	D145-S149 WeakPolarHBondContact O-CB 3.49Å; D145-S149 PolarHBondContact O-N 2.9Å; D145-S149 PolarHBondContact O-OG 3.04Å; Y146-S149 PolarHBondContact O-N 3.14Å; Y146-S149 PolarHBondContact O-OG 3.32Å; S149-M151 VanDerWaalsContact C-N 3.29Å; S149-M151 PolarHBondContact O-N 2.87Å
150	M	81	Confident	82.7	Confident	24 Å²	24	88.8 Å²	88.8	12%	0.118	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-74.9	-6.7	-177.8	-82.4	-154.1	157.1	0	0	116.6	H132 P135 Y146 K148 F152 T153 L155	H132-M150 PolarHBondContact NE2-SD 3.18Å; P135-M150 HydrophobicContact CG-CE 4.31Å; Y146-M150 HydrophobicContact CD1-SD 4.23Å; Y146-M150 HydrophobicContact CD2-CE 4.16Å; Y146-M150 HydrophobicContact CD2-SD 4.43Å; Y146-M150 HydrophobicContact CE1-CE 4.02Å; Y146-M150 HydrophobicContact CE1-CG 4.36Å; Y146-M150 HydrophobicContact CE1-SD 3.44Å; Y146-M150 WeakPolarHBondContact CE1-SD 3.37Å; Y146-M150 HydrophobicContact CE2-CE 3.18Å; Y146-M150 HydrophobicContact CE2-CG 4.26Å; Y146-M150 HydrophobicContact CE2-SD 3.72Å; Y146-M150 WeakPolarHBondContact O-CB 3.41Å; Y146-M150 VanDerWaalsContact O-CG 3.31Å; Y146-M150 WeakPolarHBondContact O-CG 3.42Å; Y146-M150 PolarHBondContact O-N 3.07Å; Y146-M150 VanDerWaalsContact O-N 3.08Å; Y146-M150 WeakPolarHBondContact OH-CE 2.93Å; Y146-M150 PolarHBondContact OH-SD 2.87Å; K148-M150 VanDerWaalsContact C-N 3.3Å; K148-M150 PolarHBondContact O-N 2.88Å; M150-F152 PolarHBondContact O-N 2.58Å; M150-T153 PolarHBondContact O-N 3.48Å; M150-T153 PolarHBondContact O-OG1 3.17Å; M150-L155 HydrophobicContact CE-CD1 3.16Å; M150-L155 HydrophobicContact SD-CD1 3.38Å; M150-L155 WeakPolarHBondContact SD-CD1 3.36Å
151	M	65.5	Low	83.7	Confident	144 Å²	144	90.7 Å²	90.7	71%	0.709	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-52.6	-17	-177.7	-70.7	-78	-176.5	0	0	113.9	K148 S149	K148-M151 WeakPolarHBondContact O-CG 3.41Å; S149-M151 VanDerWaalsContact C-N 3.29Å; S149-M151 PolarHBondContact O-N 2.87Å
152	F	57.7	Low	84.4	Confident	194 Å²	194	83.6 Å²	83.6	85%	0.851	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-111.9	10.8	-177.8	-51.9	-72.6	0	0	0	114.8	M150	M150-F152 PolarHBondContact O-N 2.58Å
153	T	69.5	Low	84.6	Confident	72 Å²	72	84 Å²	84	44%	0.442	41%	0.408	S	S	.	.			trans	-100.2	143	-177.5	64	0	0	0	0	112.4	M150 L155	M150-T153 PolarHBondContact O-N 3.48Å; M150-T153 PolarHBondContact O-OG1 3.17Å; T153-L155 PolarHBondContact O-N 3.03Å; T153-L155 VanDerWaalsContact O-N 3.09Å
154	K	72	Confident	84.7	Confident	217 Å²	217	83.7 Å²	83.7	94%	0.943	41%	0.406	S	S	*	.			trans	-81	34.9	176.8	-65.2	-176.4	179.1	177.9	0	113.1
155	L	77.8	Confident	84.7	Confident	57 Å²	57	81.1 Å²	81.1	30%	0.298	40%	0.397	S	S	.	.			trans	-70.9	143.5	-178.8	-68.3	172.4	0	0	0	111	P135 M150 T153 D157	P135-L155 HydrophobicContact CG-CD1 4.36Å; P135-L155 HydrophobicContact CG-CD2 4.25Å; M150-L155 HydrophobicContact CE-CD1 3.16Å; M150-L155 HydrophobicContact SD-CD1 3.38Å; M150-L155 WeakPolarHBondContact SD-CD1 3.36Å; T153-L155 PolarHBondContact O-N 3.03Å; T153-L155 VanDerWaalsContact O-N 3.09Å; L155-D157 PolarHBondContact O-N 3.17Å
156	I	81	Confident	84.6	Confident	142 Å²	142	77.8 Å²	77.8	73%	0.728	38%	0.378	S	S	*	.			trans	-84.5	96.6	177.5	-57.2	177.1	0	0	0	108.1
157	D	85.4	Confident	84.4	Confident	57 Å²	57	80.5 Å²	80.5	31%	0.305	39%	0.394	S	S	.	.			trans	-71.7	124.6	173.9	-80.4	-0.1	0	0	0	110.6	K83 V130 H132 L155	K83-D157 IonicContact NZ-OD2 3.28Å; V130-D157 HydrophobicContact CG1-CB 3.72Å; V130-D157 VanDerWaalsContact CG1-OD2 3.26Å; V130-D157 WeakPolarHBondContact CG1-OD2 3.42Å; H132-D157 IonicContact CG-OD1 3.35Å; H132-D157 IonicContact ND1-OD1 3.01Å; L155-D157 PolarHBondContact O-N 3.17Å
158	K	89.6	Confident	83.9	Confident	60 Å²	60	82 Å²	82	26%	0.261	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.1	163.5	-168.2	177.3	-179.4	-152.8	0	108.9	T47 G48 V130 A131 H160	T47-K158 WeakPolarHBondContact OG1-CD 3.04Å; G48-K158 PolarHBondContact O-NZ 2.83Å; V130-K158 WeakPolarHBondContact CA-O 3.13Å; A131-K158 PolarHBondContact N-O 3.1Å; A131-K158 WeakPolarHBondContact O-CB 3.12Å; A131-K158 PolarHBondContact O-N 2.67Å; K158-H160 VanDerWaalsContact CD-NE2 3.28Å; K158-H160 WeakPolarHBondContact CD-NE2 3.23Å; K158-H160 WeakPolarHBondContact CE-CE1 3.49Å; K158-H160 WeakPolarHBondContact CE-NE2 3.35Å; K158-H160 PolarHBondContact NZ-CE1 3.34Å; K158-H160 PolarHBondContact NZ-NE2 3.27Å
159	K	92.1	Very high	83.1	Confident	140 Å²	140	81.8 Å²	81.8	61%	0.609	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	127.6	179.3	-61.7	-179.7	-176.4	170.4	0	109.9	T128 V129 V130	T128-K159 HydrophobicContact CG2-CB 4.15Å; V129-K159 CarbonylContact O-C 3.54Å; V129-K159 WeakPolarHBondContact O-CA 3.33Å; V130-K159 HydrophobicContact CG1-CG 4.45Å; V130-K159 HydrophobicContact CG2-CG 4.32Å
160	H	92.7	Very high	81.9	Confident	42 Å²	42	81.1 Å²	81.1	19%	0.194	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	99.1	175.2	-69.8	-85.7	0	0	0	108.8	V50 T128 V129 K158	V50-H160 HydrophobicContact CG2-CB 3.82Å; T128-H160 WeakPolarHBondContact CA-O 3.44Å; V129-H160 HydrophobicContact CB-CB 4.2Å; V129-H160 PolarHBondContact N-O 2.85Å; V129-H160 PolarHBondContact O-N 2.91Å; K158-H160 VanDerWaalsContact CD-NE2 3.28Å; K158-H160 WeakPolarHBondContact CD-NE2 3.23Å; K158-H160 WeakPolarHBondContact CE-CE1 3.49Å; K158-H160 WeakPolarHBondContact CE-NE2 3.35Å; K158-H160 PolarHBondContact NZ-CE1 3.34Å; K158-H160 PolarHBondContact NZ-NE2 3.27Å
161	P	94.5	Very high	80.7	Confident	61 Å²	61	91 Å²	91	40%	0.396	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.7	174.8	31.1	-32.8	0	0	0	110.7	R126	R126-P161 VanDerWaalsContact NH2-CB 3.28Å
162	L	95	Very high	80.2	Confident	1 Å²	1	90.2 Å²	90.2	1%	0.005	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.7	170.1	-63.4	166.6	0	0	0	107.6	V50 P52 V53 D54 I56 I70 R126 C127	V50-L162 HydrophobicContact CG1-CD1 3.97Å; V50-L162 HydrophobicContact CG1-CD2 4.29Å; V50-L162 HydrophobicContact CG1-CG 4.49Å; P52-L162 WeakPolarHBondContact O-CD2 3.16Å; V53-L162 WeakPolarHBondContact O-CD2 3.34Å; D54-L162 CarbonylContact O-C 3.51Å; D54-L162 VanDerWaalsContact O-CA 3.32Å; D54-L162 WeakPolarHBondContact O-CA 3.31Å; I56-L162 HydrophobicContact CD1-CB 4.03Å; I56-L162 HydrophobicContact CD1-CD1 3.8Å; I56-L162 HydrophobicContact CG1-CB 4.42Å; I56-L162 HydrophobicContact CG1-CD1 4.29Å; I70-L162 HydrophobicContact CD1-CD1 4.22Å; I70-L162 HydrophobicContact CG2-CD1 3.73Å; R126-L162 CarbonylContact C-O 3.59Å; R126-L162 WeakPolarHBondContact CA-O 3.29Å; C127-L162 HydrophobicContact CB-CB 4.22Å; C127-L162 PolarHBondContact N-O 2.96Å; C127-L162 PolarHBondContact O-N 2.89Å
163	E	94.9	Very high	80.1	Confident	81 Å²	81	84.1 Å²	84.1	38%	0.379	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.8	169.2	-167.5	179.5	-177.9	0	0	109.7	D54 T55 I56 K165	D54-E163 PolarHBondContact O-N 3.3Å; T55-E163 CarbonylContact C-O 3.57Å; T55-E163 VanDerWaalsContact CA-O 3.3Å; T55-E163 WeakPolarHBondContact CA-O 3.48Å; T55-E163 HydrophobicContact CG2-CB 4.48Å; I56-E163 PolarHBondContact N-O 3.4Å; E163-K165 HydrophobicContact CG-CG 4.24Å; E163-K165 VanDerWaalsContact OE1-CE 3.26Å; E163-K165 WeakPolarHBondContact OE1-CE 3.12Å; E163-K165 WeakPolarHBondContact OE2-CE 3.26Å; E163-K165 IonicContact OE2-NZ 3.98Å; E163-K165 PolarHBondContact OE2-NZ 2.9Å
164	V	93.4	Very high	79.2	Confident	7 Å²	7	86.1 Å²	86.1	4%	0.042	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.2	173.6	179.1	0	0	0	0	107.8	I56 F58 I92 E125 C127 F166	I56-V164 WeakPolarHBondContact O-CA 3.48Å; F58-V164 HydrophobicContact CD2-CG1 3.65Å; F58-V164 HydrophobicContact CE2-CG1 3.82Å; I92-V164 HydrophobicContact CD1-CG1 4.33Å; I92-V164 HydrophobicContact CD1-CG2 4.21Å; E125-V164 HydrophobicContact CB-CB 3.71Å; E125-V164 HydrophobicContact CB-CG1 4.21Å; E125-V164 HydrophobicContact CB-CG2 4.4Å; E125-V164 PolarHBondContact O-N 2.77Å; C127-V164 HydrophobicContact CB-CG2 4.46Å; V164-F166 HydrophobicContact CG1-CE1 4.39Å; V164-F166 HydrophobicContact CG1-CE2 4.34Å; V164-F166 HydrophobicContact CG1-CZ 4Å
165	K	91.6	Very high	78.2	Confident	74 Å²	74	84 Å²	84	32%	0.322	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144	179.3	-68.2	-171.1	-172.3	171.2	0	111.3	T55 I56 H57 F58 E163	T55-K165 HydrophobicContact CG2-CB 4.04Å; T55-K165 HydrophobicContact CG2-CD 3.73Å; T55-K165 HydrophobicContact CG2-CG 3.65Å; I56-K165 PolarHBondContact O-N 3.22Å; H57-K165 WeakPolarHBondContact CA-O 3.32Å; F58-K165 PolarHBondContact N-O 3.09Å; E163-K165 HydrophobicContact CG-CG 4.24Å; E163-K165 VanDerWaalsContact OE1-CE 3.26Å; E163-K165 WeakPolarHBondContact OE1-CE 3.12Å; E163-K165 WeakPolarHBondContact OE2-CE 3.26Å; E163-K165 IonicContact OE2-NZ 3.98Å; E163-K165 PolarHBondContact OE2-NZ 2.9Å
166	F	89.4	Confident	76.9	Confident	24 Å²	24	86 Å²	86	11%	0.105	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	76.9	175.3	-58.4	-74.1	0	0	0	108.5	F58 R60 R115 E125 V164	F58-F166 HydrophobicContact CB-CD1 3.81Å; F58-F166 HydrophobicContact CB-CE1 4.02Å; F58-F166 HydrophobicContact CD2-CE1 4.31Å; F58-F166 CarbonylContact O-C 3.59Å; F58-F166 VanDerWaalsContact O-CA 3.23Å; F58-F166 WeakPolarHBondContact O-CA 3.33Å; R60-F166 HydrophobicContact CG-CB 4.08Å; R60-F166 WeakPolarHBondContact CG-O 3.24Å; R60-F166 PolarHBondContact NE-O 2.58Å; R60-F166 PolarHBondContact NH2-O 2.9Å; R115-F166 VanDerWaalsContact CD-CD1 3.44Å; R115-F166 VanDerWaalsContact CD-CE1 3.42Å; R115-F166 HydrophobicContact CG-CD1 4.12Å; R115-F166 HydrophobicContact CG-CE1 3.6Å; R115-F166 HydrophobicContact CG-CZ 4.09Å; E125-F166 HydrophobicContact CB-CE2 4.38Å; E125-F166 HydrophobicContact CG-CE2 3.99Å; E125-F166 HydrophobicContact CG-CZ 4.41Å; V164-F166 HydrophobicContact CG1-CE1 4.39Å; V164-F166 HydrophobicContact CG1-CE2 4.34Å; V164-F166 HydrophobicContact CG1-CZ 4Å
167	D	85.8	Confident	75.1	Confident	68 Å²	68	85.3 Å²	85.3	36%	0.364	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	0.4	-169.8	59.6	1.5	0	0	0	113.6	H57 F58	H57-D167 IonicContact CE1-OD1 3.97Å; H57-D167 IonicContact CE1-OD2 3.8Å; H57-D167 PolarHBondContact CE1-OD2 3.43Å; H57-D167 VanDerWaalsContact CE1-OD2 3.28Å; H57-D167 IonicContact CG-OD1 3.6Å; H57-D167 VanDerWaalsContact ND1-CG 3.27Å; H57-D167 IonicContact ND1-OD1 3.55Å; H57-D167 PolarHBondContact ND1-OD1 2.98Å; H57-D167 IonicContact ND1-OD2 2.75Å; H57-D167 PolarHBondContact ND1-OD2 2.9Å; F58-D167 PolarHBondContact O-N 2.7Å
168	V	80	Confident	73.1	Confident	44 Å²	44	88 Å²	88	27%	0.267	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.8	177.3	-172.9	0	0	0	0	109.5	H57 F58 S59 S170	H57-V168 HydrophobicContact CB-CG2 3.64Å; F58-V168 PolarHBondContact O-N 2.63Å; S59-V168 WeakPolarHBondContact CA-O 3.25Å; S59-V168 WeakPolarHBondContact CB-O 3.42Å; V168-S170 PolarHBondContact O-N 3.49Å
169	D	71.2	Confident	70.9	Confident	126 Å²	126	90.9 Å²	90.9	67%	0.674	49%	0.487	S	S	*	.			trans	-65.1	135.3	170.9	-72.2	-34.6	0	0	0	109.5	R171 D172	D169-R171 PolarHBondContact O-N 2.93Å; D169-D172 PolarHBondContact O-N 2.74Å
170	S	59.9	Low	68.5	Low	68 Å²	68	89.9 Å²	89.9	48%	0.476	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-57.4	-11.3	-173	55.7	0	0	0	0	115.4	V168	V168-S170 PolarHBondContact O-N 3.49Å
171	R	56.5	Low	66.2	Low	231 Å²	231	92 Å²	92	87%	0.872	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-80.3	-15	-175.1	-60.5	-172.1	-177.6	-169.1	1.4	114.2	D169	D169-R171 PolarHBondContact O-N 2.93Å
172	D	54.9	Low	63.7	Low	129 Å²	129	99.1 Å²	99.1	69%	0.69	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-102.2	6.4	-177.3	-69.3	-30.8	0	0	0	114.1	D169 P174	D169-D172 PolarHBondContact O-N 2.74Å; D172-P174 VanDerWaalsContact O-CD 3.26Å; D172-P174 WeakPolarHBondContact O-CD 3.2Å
173	I	54.6	Low	61.3	Low	66 Å²	66	104.3 Å²	104.3	34%	0.338	57%	0.57	S	S	.	*			trans	-82.2	114.3	176.2	-59.9	171.1	0	0	0	108.2	S59 I61 E175	S59-I173 WeakPolarHBondContact OG-CD1 3.48Å; I61-I173 HydrophobicContact CD1-CD1 4.42Å; I173-E175 PolarHBondContact O-N 3.17Å; I173-E175 VanDerWaalsContact O-N 3.16Å
174	P	50.5	Low	58.5	Low	114 Å²	114	104 Å²	104	74%	0.74	58%	0.576	S	S	*	*			trans	-62.4	122.3	168.9	-11.7	26.9	0	0	0	107.3	D172	D172-P174 VanDerWaalsContact O-CD 3.26Å; D172-P174 WeakPolarHBondContact O-CD 3.2Å
175	E	51.1	Low	56	Low	173 Å²	173	110.4 Å²	110.4	81%	0.808	61%	0.609	S	S	*	*			trans	-48.6	135.9	173.8	-78.8	-163.4	154.1	0	0	109.5	I173 V177	I173-E175 PolarHBondContact O-N 3.17Å; I173-E175 VanDerWaalsContact O-N 3.16Å; E175-V177 PolarHBondContact O-N 3.21Å
176	P	51.6	Low	53.8	Low	98 Å²	98	112.3 Å²	112.3	64%	0.636	63%	0.627	S	S	*	*			trans	-61.1	109.9	170.8	25.5	-30.9	0	0	0	107.3	S178	P176-S178 PolarHBondContact O-N 2.87Å
177	V	43.5	Very low	51.9	Low	127 Å²	127	118.5 Å²	118.5	77%	0.77	66%	0.659	S	S	*	*			trans	-53.1	110.4	172.9	-164	0	0	0	0	106.4	E175 T179	E175-V177 PolarHBondContact O-N 3.21Å; V177-T179 PolarHBondContact O-N 2.67Å
178	S	43.3	Very low	50.5	Low	114 Å²	114	121.9 Å²	121.9	80%	0.797	68%	0.676	S	S	*	*			trans	-68.1	82.7	177.5	-75.7	0	0	0	0	108.2	P176 S180	P176-S178 PolarHBondContact O-N 2.87Å; S178-S180 PolarHBondContact O-N 2.94Å
179	T	42.4	Very low	49	Very low	121 Å²	121	123.5 Å²	123.5	74%	0.742	69%	0.694	S	S	*	*			trans	-77.8	71.6	165.7	54	0	0	0	0	108.2	V177 S181	V177-T179 PolarHBondContact O-N 2.67Å; T179-S181 VanDerWaalsContact C-N 3.34Å; T179-S181 PolarHBondContact O-N 3.01Å
180	S	42.4	Very low	47.9	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	70%	0.702	S	S	*	*			trans	-68.9	96.7	154.3	171.9	0	0	0	0	107.1	S178	S178-S180 PolarHBondContact O-N 2.94Å
181	S	43.2	Very low	47.2	Very low	87 Å²	87	128.2 Å²	128.2	61%	0.608	72%	0.719	S	S	*	*			trans	-150	71.4	159.5	61.8	0	0	0	0	108.7	T179 T183	T179-S181 VanDerWaalsContact C-N 3.34Å; T179-S181 PolarHBondContact O-N 3.01Å; S181-T183 PolarHBondContact O-N 3.33Å
182	Y	42.7	Very low	47	Very low	210 Å²	210	126.4 Å²	126.4	82%	0.824	74%	0.742	S	S	*	*			trans	-75.7	85.5	155.2	-177.3	-100.7	0	0	0	107.1	S184	Y182-S184 WeakPolarHBondContact CE1-OG 3.28Å; Y182-S184 VanDerWaalsContact CZ-OG 3.26Å; Y182-S184 PolarHBondContact OH-OG 2.99Å
183	T	45	Very low	46.6	Very low	111 Å²	111	126.3 Å²	126.3	68%	0.681	74%	0.744	S	S	*	*			trans	-94	97.8	162.8	35.7	0	0	0	0	107.7	S181 I185	S181-T183 PolarHBondContact O-N 3.33Å; T183-I185 PolarHBondContact O-N 3.46Å
184	S	36.1	Very low	46.2	Very low	74 Å²	74	129.5 Å²	129.5	52%	0.517	77%	0.766	S	S	.	*			trans	-56.7	113.6	159.6	-60.3	0	0	0	0	108.7	Y182	Y182-S184 WeakPolarHBondContact CE1-OG 3.28Å; Y182-S184 VanDerWaalsContact CZ-OG 3.26Å; Y182-S184 PolarHBondContact OH-OG 2.99Å
185	I	41	Very low	46	Very low	141 Å²	141	130.3 Å²	130.3	72%	0.723	77%	0.767	S	S	*	*			trans	-98.8	104.7	163.9	-65.7	173.5	0	0	0	106.4	T183 I187	T183-I185 PolarHBondContact O-N 3.46Å; I185-I187 HydrophobicContact CG2-CG1 3.94Å; I185-I187 PolarHBondContact O-N 3.05Å
186	T	43.9	Very low	45.7	Very low	115 Å²	115	127.8 Å²	127.8	71%	0.706	77%	0.765	S	S	*	*			trans	-77.7	107.6	166.9	-43.8	0	0	0	0	107.6	I188	T186-I188 HydrophobicContact CG2-CD1 4.23Å; T186-I188 HydrophobicContact CG2-CG1 3.77Å
187	I	51	Low	45.3	Very low	153 Å²	153	129.7 Å²	129.7	79%	0.785	77%	0.773	S	S	*	*			trans	-88.8	102.1	165.8	-56.1	178.3	0	0	0	106.3	I185	I185-I187 HydrophobicContact CG2-CG1 3.94Å; I185-I187 PolarHBondContact O-N 3.05Å
188	I	54.7	Low	45.4	Very low	139 Å²	139	129.9 Å²	129.9	71%	0.713	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-91.9	117.6	163.9	-54.8	-179.6	0	0	0	106.2	T186	T186-I188 HydrophobicContact CG2-CD1 4.23Å; T186-I188 HydrophobicContact CG2-CG1 3.77Å
189	A	48.7	Very low	45.6	Very low	78 Å²	78	131 Å²	131	65%	0.645	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.8	130.4	175	0	0	0	0	0	110
190	N	49.7	Very low	45.8	Very low	160 Å²	160	131.8 Å²	131.8	86%	0.856	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-78.1	124.7	165.5	-72.5	-10	0	0	0	108.7
191	T	45.4	Very low	46.1	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	77%	0.769	S	S	*	*			trans	-126.8	105.5	161.2	54.7	0	0	0	0	107.8
192	S	51.7	Low	46.4	Very low	193 Å²	193	137.1 Å²	137.1	100%	1.35	78%	0.784	S	S	*	*			trans	-163.2	0	147.1	-167.6	0	0	0	0	109.9

Retrieved 192 of 192 residues in 319.9 ms (Link to these results)

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