A0A077ZD24_TRITR Loading...

MuHD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD24, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 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	37.6	Very low	32.2	Very low	215 Å²	215	153.5 Å²	153.5	100%	1.059	85%	0.847	S	S	*	*				0	107.3	0	-86.2	178.2	170.4	0	0	108.6	L15	M1-L15 VanDerWaalsContact N-CD1 3.31Å
2	G	34	Very low	31.9	Very low	76 Å²	76	154.1 Å²	154.1	78%	0.784	84%	0.838	S	S	*	*			trans	-128.7	117.5	171.1	0	0	0	0	0	108.9
3	R	33.9	Very low	32	Very low	228 Å²	228	149.2 Å²	149.2	86%	0.86	82%	0.822	S	S	*	*			trans	-78.8	125.1	172.7	-84.1	178.4	166.8	-165.7	-3.6	108.2
4	L	33.5	Very low	31.7	Very low	168 Å²	168	152.7 Å²	152.7	88%	0.88	83%	0.83	S	S	*	*			trans	-111.1	95.2	150.8	-99.1	90.9	0	0	0	108.5
5	G	32.8	Very low	31.7	Very low	63 Å²	63	151.5 Å²	151.5	65%	0.649	82%	0.821	S	S	*	*			trans	-94	152.1	150.9	0	0	0	0	0	108.1
6	R	32.2	Very low	31.4	Very low	245 Å²	245	154.9 Å²	154.9	93%	0.925	83%	0.826	S	S	*	*	S	Bend	trans	-47.8	133.2	-177.6	-74.8	169	167.7	155.9	-4.2	113
7	N	31.7	Very low	31.3	Very low	157 Å²	157	152.2 Å²	152.2	84%	0.84	82%	0.823	S	S	*	*	S	Bend	trans	75.9	126.3	165.2	-60.3	-17.6	0	0	0	118.2
8	A	29.5	Very low	31.3	Very low	93 Å²	93	149.6 Å²	149.6	77%	0.769	82%	0.818	S	S	*	*			trans	87.9	124.7	158.8	0	0	0	0	0	119.8
9	S	30.5	Very low	31.5	Very low	117 Å²	117	151.2 Å²	151.2	82%	0.818	82%	0.818	S	S	*	*			trans	69.4	125.1	153.3	52.1	0	0	0	0	120.5
10	E	27	Very low	31.5	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.883	82%	0.824	S	S	*	*			trans	-56.3	139.1	172.4	-64.8	156.9	138.3	0	0	112.4
11	T	31.3	Very low	31.6	Very low	138 Å²	138	149 Å²	149	85%	0.847	83%	0.826	S	S	*	*			trans	-167	119.8	146.4	15.2	0	0	0	0	109.1
12	E	29	Very low	31.5	Very low	160 Å²	160	144.1 Å²	144.1	75%	0.748	81%	0.813	S	S	*	*			trans	-71.1	136.4	168.3	-74	173	129.3	0	0	109.5	K106	E12-K106 IonicContact OE1-NZ 2.82Å; E12-K106 PolarHBondContact OE1-NZ 2.86Å
13	S	32.5	Very low	31.7	Very low	90 Å²	90	145.4 Å²	145.4	63%	0.629	81%	0.81	S	S	*	*			trans	-136.8	108.2	168.9	62.8	0	0	0	0	110
14	E	29	Very low	32.1	Very low	199 Å²	199	144.2 Å²	144.2	93%	0.93	81%	0.814	S	S	*	*			trans	-65.7	141.7	163.6	-68.8	178.5	109.7	0	0	110.1
15	L	31.4	Very low	32.3	Very low	134 Å²	134	139.7 Å²	139.7	70%	0.702	81%	0.809	S	S	*	*			trans	-113	107.2	174.8	-84.4	155.2	0	0	0	109.5	M1	M1-L15 VanDerWaalsContact N-CD1 3.31Å
16	K	26.7	Very low	32.5	Very low	207 Å²	207	141.7 Å²	141.7	90%	0.9	81%	0.813	S	S	*	*			trans	-84.2	138.7	155.7	-86.3	177.9	173.5	179.3	0	108.6
17	S	30.2	Very low	33	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	81%	0.805	S	S	*	*			trans	-112.5	126.2	167.8	-176.7	0	0	0	0	109.5
18	S	30.8	Very low	33.3	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	80%	0.8	S	S	*	*			trans	-133.7	126.3	167.2	47	0	0	0	0	108.2
19	H	35.5	Very low	33.7	Very low	180 Å²	180	138.2 Å²	138.2	83%	0.833	80%	0.804	S	S	*	*			trans	-139.8	120.6	163.9	-72.7	-63.2	0	0	0	110.1
20	T	30.5	Very low	34.1	Very low	150 Å²	150	140.9 Å²	140.9	92%	0.92	80%	0.803	S	S	*	*			trans	-141.2	120.6	160.8	-36.6	0	0	0	0	106
21	A	34.9	Very low	34.7	Very low	106 Å²	106	136.6 Å²	136.6	88%	0.876	79%	0.792	S	S	*	*			trans	-165.5	135.5	155.1	0	0	0	0	0	110.4
22	S	33.7	Very low	34.7	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	79%	0.791	S	S	*	*			trans	-93	164.2	-175.4	45.5	0	0	0	0	112.8
23	S	40.3	Very low	35.1	Very low	104 Å²	104	139.2 Å²	139.2	73%	0.727	80%	0.797	S	S	*	*			trans	167.1	113	136.3	47.5	0	0	0	0	109.6
24	Q	40.7	Very low	35.3	Very low	202 Å²	202	141.7 Å²	141.7	94%	0.944	80%	0.803	S	S	*	*				90.4	127.6	94	-79.7	-172.9	-22.8	0	0	114.6
25	G	38.3	Very low	35.8	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	80%	0.804	S	S	*	*			trans	126.4	99.4	148	0	0	0	0	0	118.3
26	S	37.9	Very low	36.1	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	80%	0.801	S	S	*	*			trans	-27.5	156.5	152.2	45.6	0	0	0	0	117
27	D	41.2	Very low	36.7	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	80%	0.795	S	S	*	*			cis	-165.6	149	12.8	-105.2	-27.8	0	0	0	109.8
28	T	38.2	Very low	37.1	Very low	120 Å²	120	137 Å²	137	74%	0.736	80%	0.797	S	S	*	*			trans	46.2	109.5	152.5	51.4	0	0	0	0	123.1
29	D	38	Very low	38.2	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	80%	0.8	S	S	*	*				-175.2	145.2	113.4	-103.2	-25.4	0	0	0	112.7
30	H	39.9	Very low	39.3	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.806	79%	0.787	S	S	*	*			trans	-39.7	172.5	-175.9	-78.2	-84.9	0	0	0	119.9
31	P	38.6	Very low	40.6	Very low	99 Å²	99	135.9 Å²	135.9	64%	0.643	78%	0.78	S	S	*	*			cis	-129.4	162.8	-41.4	35.4	-18.3	0	0	0	113
32	S	31.8	Very low	42	Very low	118 Å²	118	136 Å²	136	83%	0.825	78%	0.775	S	S	*	*			trans	49.8	84.8	159.5	53.9	0	0	0	0	118
33	R	37.5	Very low	43.5	Very low	234 Å²	234	134.7 Å²	134.7	88%	0.883	76%	0.759	S	S	*	*			trans	-131.3	154.7	153.5	-70.4	-170.2	176.7	-170.6	0.1	109.3
34	L	35.6	Very low	45.1	Very low	143 Å²	143	132.4 Å²	132.4	75%	0.749	74%	0.743	S	S	*	*			trans	94.9	64.4	161.5	-51.8	162.3	0	0	0	116.4
35	F	40.1	Very low	46.6	Very low	217 Å²	217	125.8 Å²	125.8	95%	0.952	71%	0.713	S	S	*	*				-106.8	74.8	123.8	-67.1	-71.3	0	0	0	107.4	T37	F35-T37 PolarHBondContact O-N 3.38Å
36	S	37.9	Very low	48.5	Very low	92 Å²	92	128.1 Å²	128.1	64%	0.643	70%	0.704	S	S	*	*			trans	-78.1	104.7	160.6	59.3	0	0	0	0	106	S38	S36-S38 PolarHBondContact O-N 2.85Å
37	T	38.7	Very low	50.2	Low	127 Å²	127	128 Å²	128	78%	0.779	69%	0.692	S	S	*	*			trans	-47.6	111.8	157.1	41.3	0	0	0	0	106.8	F35 Q39	F35-T37 PolarHBondContact O-N 3.38Å; T37-Q39 PolarHBondContact O-N 3.11Å
38	S	39.3	Very low	52	Low	113 Å²	113	121.3 Å²	121.3	79%	0.79	66%	0.656	S	S	*	*			trans	-63.7	83	167	52.7	0	0	0	0	106.6	S36 E40	S36-S38 PolarHBondContact O-N 2.85Å; S38-E40 VanDerWaalsContact C-N 3.34Å; S38-E40 PolarHBondContact O-N 3.39Å
39	Q	52.9	Low	53.8	Low	171 Å²	171	120 Å²	120	80%	0.799	64%	0.642	S	S	*	*			trans	-60.3	107	164.6	-148.4	171.4	4.5	0	0	103.3	T37	T37-Q39 PolarHBondContact O-N 3.11Å
40	E	59.2	Low	55.8	Low	123 Å²	123	119.5 Å²	119.5	58%	0.575	63%	0.634	S	S	*	*			trans	-45.1	135.7	174.3	-82.9	-175.9	136.8	0	0	107.8	S38 S42	S38-E40 VanDerWaalsContact C-N 3.34Å; S38-E40 PolarHBondContact O-N 3.39Å; E40-S42 PolarHBondContact O-N 3.38Å
41	P	58.2	Low	58	Low	118 Å²	118	117.1 Å²	117.1	77%	0.766	62%	0.622	S	S	*	*			trans	-58.7	103.4	-177.7	-7.3	14.9	0	0	0	108.4	L43	P41-L43 PolarHBondContact O-N 3.15Å
42	S	63.3	Low	60.4	Low	109 Å²	109	114 Å²	114	76%	0.762	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-68.7	117.3	170.7	48.7	0	0	0	0	106.6	E40 S44	E40-S42 PolarHBondContact O-N 3.38Å; S42-S44 PolarHBondContact O-N 3.38Å
43	L	65.7	Low	63.3	Low	85 Å²	85	111.2 Å²	111.2	45%	0.445	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-61.2	134.7	179.9	-66.1	168.4	0	0	0	109.6	P41 P53	P41-L43 PolarHBondContact O-N 3.15Å; L43-P53 HydrophobicContact CD1-CB 4.45Å; L43-P53 HydrophobicContact CD1-CG 3.16Å
44	S	73.2	Confident	66	Low	56 Å²	56	102.7 Å²	102.7	39%	0.392	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-65.3	151	176.1	65.8	0	0	0	0	110.1	S42 H46 E47 L48	S42-S44 PolarHBondContact O-N 3.38Å; S44-H46 PolarHBondContact O-N 3.31Å; S44-H46 VanDerWaalsContact O-N 3.15Å; S44-E47 PolarHBondContact N-OE2 3.39Å; S44-E47 PolarHBondContact O-N 3.44Å; S44-E47 VanDerWaalsContact O-N 3.11Å; S44-E47 VanDerWaalsContact OG-CD 3.29Å; S44-E47 VanDerWaalsContact OG-CG 3.29Å; S44-E47 WeakPolarHBondContact OG-CG 3.29Å; S44-E47 PolarHBondContact OG-N 2.98Å; S44-E47 PolarHBondContact OG-OE2 3.44Å; S44-L48 PolarHBondContact O-N 2.98Å
45	L	74.2	Confident	68.9	Low	62 Å²	62	98.4 Å²	98.4	33%	0.325	54%	0.535	S	S	.	.	H	α-helix	trans	-56.2	-34.3	177.9	-171.7	69.6	0	0	0	111.7	L48 Q49 Q90 L91	L45-L48 PolarHBondContact O-N 3.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.28Å; L45-Q49 PolarHBondContact O-N 3.17Å; L45-Q90 HydrophobicContact CD1-CB 4.27Å; L45-Q90 HydrophobicContact CD1-CG 4.39Å; L45-L91 HydrophobicContact CD1-CD2 3.61Å; L45-L91 HydrophobicContact CD1-CG 3.9Å; L45-L91 HydrophobicContact CG-CD2 4.17Å
46	H	76.9	Confident	71.6	Confident	124 Å²	124	91.7 Å²	91.7	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-63.4	-44.9	177.2	-177.6	-78	0	0	0	112.5	S44 L48 Q49	S44-H46 PolarHBondContact O-N 3.31Å; S44-H46 VanDerWaalsContact O-N 3.15Å; H46-L48 PolarHBondContact O-N 2.74Å; H46-Q49 PolarHBondContact O-N 3.4Å
47	E	74.6	Confident	74.4	Confident	102 Å²	102	89.3 Å²	89.3	48%	0.477	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-36.7	175.9	-71.7	164.2	141.5	0	0	111.4	S44 E50 K51	S44-E47 PolarHBondContact N-OE2 3.39Å; S44-E47 PolarHBondContact O-N 3.44Å; S44-E47 VanDerWaalsContact O-N 3.11Å; S44-E47 VanDerWaalsContact OG-CD 3.29Å; S44-E47 VanDerWaalsContact OG-CG 3.29Å; S44-E47 WeakPolarHBondContact OG-CG 3.29Å; S44-E47 PolarHBondContact OG-N 2.98Å; S44-E47 PolarHBondContact OG-OE2 3.44Å; E47-E50 PolarHBondContact O-N 3.38Å; E47-K51 PolarHBondContact O-N 3.22Å
48	L	77.3	Confident	77.2	Confident	4 Å²	4	88.3 Å²	88.3	2%	0.021	49%	0.486	C	S	.	.	H	α-helix	trans	-74.2	-29.5	-177.1	-157.1	73.1	0	0	0	113.1	S44 L45 H46 E50 K51 I52 P53 P85 G87 C88 L91	S44-L48 PolarHBondContact O-N 2.98Å; L45-L48 PolarHBondContact O-N 3.29Å; H46-L48 PolarHBondContact O-N 2.74Å; L48-E50 PolarHBondContact O-N 2.77Å; L48-K51 CarbonylContact O-C 3.4Å; L48-K51 PolarHBondContact O-N 2.99Å; L48-I52 HydrophobicContact CD1-CB 4.32Å; L48-I52 HydrophobicContact CD1-CG1 4.33Å; L48-I52 HydrophobicContact CD1-CG2 4.19Å; L48-I52 HydrophobicContact CG-CG1 4.13Å; L48-P53 HydrophobicContact CD1-CG 4.33Å; L48-P85 HydrophobicContact CD1-CG 4.11Å; L48-G87 WeakPolarHBondContact CD2-O 3.36Å; L48-C88 VanDerWaalsContact CD2-CA 3.41Å; L48-C88 HydrophobicContact CD2-CB 3.97Å; L48-C88 VanDerWaalsContact CD2-N 3.25Å; L48-L91 HydrophobicContact CB-CD1 3.68Å; L48-L91 HydrophobicContact CD2-CD1 3.72Å; L48-L91 HydrophobicContact CD2-CG 4.43Å; L48-L91 HydrophobicContact CG-CD1 3.53Å; L48-L91 VanDerWaalsContact O-CD1 3.28Å; L48-L91 WeakPolarHBondContact O-CD1 3.34Å
49	Q	78	Confident	79.9	Confident	92 Å²	92	87.7 Å²	87.7	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-33.2	174.6	-81.4	176.1	-34.9	0	0	112.5	L45 H46 L91 Y99	L45-Q49 WeakPolarHBondContact O-CG 3.28Å; L45-Q49 PolarHBondContact O-N 3.17Å; H46-Q49 PolarHBondContact O-N 3.4Å; Q49-L91 HydrophobicContact CG-CD1 4.36Å; Q49-L91 HydrophobicContact CG-CD2 3.47Å; Q49-L91 VanDerWaalsContact CG-CD2 3.47Å; Q49-Y99 PolarHBondContact O-OH 2.96Å
50	E	79.6	Confident	81.9	Confident	147 Å²	147	84.9 Å²	84.9	69%	0.687	46%	0.46	S	S	*	.	H	α-helix	trans	-77.4	-47.3	176.6	-65.7	-169.6	176.5	0	0	111.4	E47 L48	E47-E50 PolarHBondContact O-N 3.38Å; L48-E50 PolarHBondContact O-N 2.77Å
51	K	84.6	Confident	83.6	Confident	124 Å²	124	82.5 Å²	82.5	54%	0.539	45%	0.454	S	S	.	.			trans	-152.9	125.9	-177.4	-64.5	-176.9	-178.3	166.4	0	110.8	E47 L48 P53	E47-K51 PolarHBondContact O-N 3.22Å; L48-K51 CarbonylContact O-C 3.4Å; L48-K51 PolarHBondContact O-N 2.99Å; K51-P53 WeakPolarHBondContact O-CD 3.47Å
52	I	90.9	Very high	85.3	Confident	33 Å²	33	79.7 Å²	79.7	17%	0.169	43%	0.434	C	S	.	.			trans	-81.8	115.1	171	-57.5	167.4	0	0	0	108.2	L48 I54 P85 C88 L91 L92 Y99	L48-I52 HydrophobicContact CD1-CB 4.32Å; L48-I52 HydrophobicContact CD1-CG1 4.33Å; L48-I52 HydrophobicContact CD1-CG2 4.19Å; L48-I52 HydrophobicContact CG-CG1 4.13Å; I52-I54 HydrophobicContact CG2-CD1 3.78Å; I52-P85 HydrophobicContact CG2-CG 4.18Å; I52-C88 HydrophobicContact CD1-CB 4.14Å; I52-C88 HydrophobicContact CG1-CB 4.31Å; I52-C88 HydrophobicContact CG2-CB 3.66Å; I52-L91 HydrophobicContact CG1-CD1 4.37Å; I52-L92 HydrophobicContact CD1-CD2 4.09Å; I52-L92 HydrophobicContact CD1-CG 4.42Å; I52-Y99 HydrophobicContact CD1-CD1 3.64Å; I52-Y99 HydrophobicContact CD1-CD2 4.48Å; I52-Y99 HydrophobicContact CD1-CE1 4.02Å; I52-Y99 HydrophobicContact CD1-CG 3.9Å; I52-Y99 HydrophobicContact CG1-CD1 4.16Å; I52-Y99 HydrophobicContact CG1-CE1 4.25Å
53	P	91.9	Very high	86.8	Confident	60 Å²	60	79.4 Å²	79.4	39%	0.39	42%	0.421	S	S	.	.			trans	-74.2	135.3	172.5	24.4	-19.6	0	0	0	109.4	L43 L48 K51 P85	L43-P53 HydrophobicContact CD1-CB 4.45Å; L43-P53 HydrophobicContact CD1-CG 3.16Å; L48-P53 HydrophobicContact CD1-CG 4.33Å; K51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-P85 HydrophobicContact CG-CG 4.43Å; P53-P85 WeakPolarHBondContact O-CD 3.49Å; P53-P85 WeakPolarHBondContact O-CG 3.42Å
54	I	94.2	Very high	88.1	Confident	55 Å²	55	77.5 Å²	77.5	28%	0.282	42%	0.417	S	S	.	.			trans	-121.7	132	179.2	-59.4	-59.4	0	0	0	107.2	I52 V56 V82 F84	I52-I54 HydrophobicContact CG2-CD1 3.78Å; I54-V56 HydrophobicContact CG2-CG2 4.48Å; I54-V82 HydrophobicContact CG2-CG1 3.22Å; I54-F84 HydrophobicContact CD1-CB 4.49Å; I54-F84 HydrophobicContact CD1-CD1 3.21Å; I54-F84 HydrophobicContact CD1-CE1 3.41Å; I54-F84 VanDerWaalsContact CD1-CE1 3.41Å; I54-F84 HydrophobicContact CD1-CG 3.93Å; I54-F84 HydrophobicContact CD1-CZ 4.27Å; I54-F84 HydrophobicContact CG1-CE1 4.41Å
55	A	96.5	Very high	89	Confident	53 Å²	53	79.8 Å²	79.8	44%	0.438	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.9	169.8	0	0	0	0	0	109.7	V82 S83	A55-V82 CarbonylContact O-C 3.51Å; A55-V82 WeakPolarHBondContact O-CA 3.04Å; A55-S83 PolarHBondContact N-O 3.37Å; A55-S83 VanDerWaalsContact N-O 3.11Å; A55-S83 PolarHBondContact O-N 3.23Å
56	V	97	Very high	89.8	Confident	75 Å²	75	79.4 Å²	79.4	46%	0.455	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.7	176.2	-178.5	0	0	0	0	108	I54 V80 T81 V82 F103	I54-V56 HydrophobicContact CG2-CG2 4.48Å; V56-V80 HydrophobicContact CG1-CG1 3.67Å; V56-T81 CarbonylContact C-O 3.49Å; V56-T81 WeakPolarHBondContact CA-O 3.45Å; V56-V82 HydrophobicContact CG2-CG2 4.46Å; V56-F103 HydrophobicContact CG1-CE2 4.42Å
57	A	97.2	Very high	90.4	Very high	42 Å²	42	77.7 Å²	77.7	35%	0.347	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.4	171.6	0	0	0	0	0	108.9	V80 T81	A57-V80 WeakPolarHBondContact O-CA 3.35Å; A57-T81 PolarHBondContact N-O 3.32Å; A57-T81 PolarHBondContact O-N 3.43Å
58	I	95.8	Very high	90.8	Very high	107 Å²	107	80.9 Å²	80.9	55%	0.549	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.6	169.4	-55.4	179.1	0	0	0	106.2	E60 S79 Y165	I58-E60 HydrophobicContact CG2-CG 4.35Å; I58-S79 WeakPolarHBondContact CA-O 3.32Å; I58-Y165 HydrophobicContact CG2-CE1 4.42Å; I58-Y165 WeakPolarHBondContact CG2-OH 3.3Å
59	I	96.5	Very high	91	Very high	99 Å²	99	85.6 Å²	85.6	51%	0.508	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.8	178.3	-58.6	175.2	0	0	0	106.7	G78 S79	I59-G78 CarbonylContact O-C 3.59Å; I59-G78 WeakPolarHBondContact O-CA 3.11Å; I59-S79 PolarHBondContact N-O 3.31Å; I59-S79 PolarHBondContact O-N 3.39Å
60	E	95.3	Very high	91.1	Very high	112 Å²	112	83.5 Å²	83.5	52%	0.523	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.6	176.5	-71.5	178.5	177.4	0	0	110.2	I58 V76 F77 Y165	I58-E60 HydrophobicContact CG2-CG 4.35Å; E60-V76 HydrophobicContact CB-CG1 4.28Å; E60-F77 CarbonylContact C-O 3.6Å; E60-F77 WeakPolarHBondContact CA-O 3.42Å; E60-Y165 HydrophobicContact CG-CE2 4.36Å; E60-Y165 WeakPolarHBondContact CG-OH 3.4Å; E60-Y165 PolarHBondContact OE1-OH 2.6Å
61	T	95.5	Very high	91.3	Very high	73 Å²	73	78.5 Å²	78.5	45%	0.448	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.5	174.7	-57.3	0	0	0	0	108.5	H63 V76 F77	T61-H63 WeakPolarHBondContact CG2-NE2 3.26Å; T61-V76 WeakPolarHBondContact O-CA 3.48Å; T61-F77 PolarHBondContact N-O 3.44Å; T61-F77 PolarHBondContact O-N 3.28Å
62	V	93.8	Very high	91.4	Very high	59 Å²	59	72.8 Å²	72.8	36%	0.358	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.1	176.6	-176.7	0	0	0	0	109	V74 V76	V62-V74 HydrophobicContact CG1-CG1 3.74Å; V62-V76 HydrophobicContact CG1-CG2 4.33Å; V62-V76 HydrophobicContact CG2-CG1 4.22Å; V62-V76 HydrophobicContact CG2-CG2 4.1Å
63	H	94.4	Very high	91.3	Very high	103 Å²	103	74.6 Å²	74.6	48%	0.477	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.3	167.4	-60.7	-88.4	0	0	0	108.4	T61 V74 K75 F77	T61-H63 WeakPolarHBondContact CG2-NE2 3.26Å; H63-V74 CarbonylContact O-C 3.54Å; H63-V74 VanDerWaalsContact O-CA 3.27Å; H63-V74 WeakPolarHBondContact O-CA 3.43Å; H63-K75 HydrophobicContact CB-CB 4.47Å; H63-K75 PolarHBondContact N-O 2.99Å; H63-K75 PolarHBondContact O-N 3.18Å; H63-F77 AromaticContact CD2-CD2 3.72Å; H63-F77 AromaticContact CD2-CE2 3.96Å
64	A	92.4	Very high	91.3	Very high	45 Å²	45	71.9 Å²	71.9	37%	0.372	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.9	177.2	0	0	0	0	0	110.5	F66 I73 V74 A180	A64-F66 HydrophobicContact CB-CD2 4.41Å; A64-F66 HydrophobicContact CB-CE2 3.59Å; A64-F66 HydrophobicContact CB-CZ 3.9Å; A64-I73 CarbonylContact C-O 3.54Å; A64-I73 WeakPolarHBondContact CA-O 3.23Å; A64-V74 HydrophobicContact CB-CG2 4.24Å; A64-A180 HydrophobicContact CB-CB 4.47Å
65	L	91.8	Very high	91.2	Very high	104 Å²	104	74.2 Å²	74.2	55%	0.545	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.5	171	174.9	65.2	0	0	0	108.6	C72 I73	L65-C72 WeakPolarHBondContact O-CA 3.41Å; L65-I73 HydrophobicContact CB-CB 4.41Å; L65-I73 HydrophobicContact CD2-CD1 4.46Å; L65-I73 PolarHBondContact N-O 3.05Å; L65-I73 PolarHBondContact O-N 3.26Å
66	F	90.9	Very high	91.1	Very high	54 Å²	54	71.9 Å²	71.9	24%	0.237	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.3	176.7	-61.1	-88.8	0	0	0	109.7	A64 C72 A180 L182 L183 L184	A64-F66 HydrophobicContact CB-CD2 4.41Å; A64-F66 HydrophobicContact CB-CE2 3.59Å; A64-F66 HydrophobicContact CB-CZ 3.9Å; F66-C72 HydrophobicContact CD1-CB 4.26Å; F66-C72 HydrophobicContact CE1-CB 4.29Å; F66-C72 WeakPolarHBondContact CE1-SG 3.32Å; F66-A180 HydrophobicContact CZ-CB 4.16Å; F66-L182 WeakPolarHBondContact CZ-O 3.42Å; F66-L183 HydrophobicContact CE1-CD2 4.07Å; F66-L184 HydrophobicContact CD2-CB 3.75Å; F66-L184 HydrophobicContact CD2-CD1 4.09Å; F66-L184 HydrophobicContact CD2-CG 4.14Å; F66-L184 HydrophobicContact CE2-CB 4.03Å; F66-L184 HydrophobicContact CE2-CD1 4.01Å; F66-L184 HydrophobicContact CE2-CG 3.97Å; F66-L184 HydrophobicContact CG-CB 4.02Å
67	K	89.3	Confident	91.1	Very high	89 Å²	89	72 Å²	72	39%	0.387	39%	0.386	S	S	.	.			trans	-100.3	163.1	177.6	-61.4	-170.2	-157.6	155.8	0	111.4	D69 G70 D71	K67-D69 VanDerWaalsContact C-N 3.31Å; K67-D69 WeakPolarHBondContact CB-OD1 3.41Å; K67-D69 PolarHBondContact O-N 3.07Å; K67-G70 PolarHBondContact O-N 2.95Å; K67-D71 HydrophobicContact CB-CB 4.14Å; K67-D71 HydrophobicContact CD-CB 3.96Å; K67-D71 HydrophobicContact CG-CB 4.28Å; K67-D71 PolarHBondContact N-O 3.34Å; K67-D71 IonicContact NZ-OD2 3.41Å; K67-D71 PolarHBondContact NZ-OD2 3.05Å
68	I	84.2	Confident	91.1	Very high	169 Å²	169	70.4 Å²	70.4	87%	0.867	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-31.1	-176.4	-60.5	171.9	0	0	0	112	G70	I68-G70 PolarHBondContact O-N 3.13Å
69	D	81.7	Confident	91.2	Very high	103 Å²	103	66.3 Å²	66.3	55%	0.551	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-4.8	175.9	53.5	7.6	0	0	0	113.5	K67 D71	K67-D69 VanDerWaalsContact C-N 3.31Å; K67-D69 WeakPolarHBondContact CB-OD1 3.41Å; K67-D69 PolarHBondContact O-N 3.07Å; D69-D71 WeakPolarHBondContact OD1-CB 3.29Å; D69-D71 PolarHBondContact OD1-N 2.95Å
70	G	79.2	Confident	91.2	Very high	48 Å²	48	61.6 Å²	61.6	50%	0.495	33%	0.33	S	S	.	.	S	Bend	trans	94.6	-3.3	-179.5	0	0	0	0	0	113.9	K67 I68	K67-G70 PolarHBondContact O-N 2.95Å; I68-G70 PolarHBondContact O-N 3.13Å
71	D	83.6	Confident	91.3	Very high	41 Å²	41	57.5 Å²	57.5	22%	0.219	31%	0.313	C	S	.	.			trans	-64.4	142	173.8	-78.1	-7.3	0	0	0	110.9	K67 D69	K67-D71 HydrophobicContact CB-CB 4.14Å; K67-D71 HydrophobicContact CD-CB 3.96Å; K67-D71 HydrophobicContact CG-CB 4.28Å; K67-D71 PolarHBondContact N-O 3.34Å; K67-D71 IonicContact NZ-OD2 3.41Å; K67-D71 PolarHBondContact NZ-OD2 3.05Å; D69-D71 WeakPolarHBondContact OD1-CB 3.29Å; D69-D71 PolarHBondContact OD1-N 2.95Å
72	C	86.7	Confident	91.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.2	172.6	-171.1	0	0	0	0	109.4	L65 F66	L65-C72 WeakPolarHBondContact O-CA 3.41Å; F66-C72 HydrophobicContact CD1-CB 4.26Å; F66-C72 HydrophobicContact CE1-CB 4.29Å; F66-C72 WeakPolarHBondContact CE1-SG 3.32Å
73	I	89.2	Confident	91.6	Very high	72 Å²	72	52.2 Å²	52.2	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.3	171.3	-57.2	175.2	0	0	0	107.4	A64 L65	A64-I73 CarbonylContact C-O 3.54Å; A64-I73 WeakPolarHBondContact CA-O 3.23Å; L65-I73 HydrophobicContact CB-CB 4.41Å; L65-I73 HydrophobicContact CD2-CD1 4.46Å; L65-I73 PolarHBondContact N-O 3.05Å; L65-I73 PolarHBondContact O-N 3.26Å
74	V	91.3	Very high	91.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.6	177.4	-175.6	0	0	0	0	110.4	V62 H63 A64 V76 T169 D177 M179 A180	V62-V74 HydrophobicContact CG1-CG1 3.74Å; H63-V74 CarbonylContact O-C 3.54Å; H63-V74 VanDerWaalsContact O-CA 3.27Å; H63-V74 WeakPolarHBondContact O-CA 3.43Å; A64-V74 HydrophobicContact CB-CG2 4.24Å; V74-V76 HydrophobicContact CG1-CG2 3.89Å; V74-T169 HydrophobicContact CB-CG2 4.41Å; V74-T169 HydrophobicContact CG1-CG2 4.35Å; V74-T169 PolarHBondContact O-OG1 2.84Å; V74-D177 HydrophobicContact CB-CB 4.31Å; V74-D177 WeakPolarHBondContact CB-OD2 3.09Å; V74-D177 HydrophobicContact CG2-CB 3.55Å; V74-M179 HydrophobicContact CB-CB 4.45Å; V74-M179 HydrophobicContact CG1-CB 3.79Å; V74-A180 HydrophobicContact CG2-CB 3.83Å
75	K	93.2	Very high	91.7	Very high	104 Å²	104	46.2 Å²	46.2	45%	0.452	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.4	163.3	-69	-168.2	172.7	-162.4	0	109	H63 F77	H63-K75 HydrophobicContact CB-CB 4.47Å; H63-K75 PolarHBondContact N-O 2.99Å; H63-K75 PolarHBondContact O-N 3.18Å; K75-F77 HydrophobicContact CB-CE2 3.87Å; K75-F77 HydrophobicContact CB-CZ 4.24Å; K75-F77 HydrophobicContact CD-CE2 4.29Å; K75-F77 HydrophobicContact CD-CZ 4.08Å
76	V	94.5	Very high	91.8	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.6	177	-172	0	0	0	0	109.1	E60 T61 V62 V74 E166 V167 T169 M179	E60-V76 HydrophobicContact CB-CG1 4.28Å; T61-V76 WeakPolarHBondContact O-CA 3.48Å; V62-V76 HydrophobicContact CG1-CG2 4.33Å; V62-V76 HydrophobicContact CG2-CG1 4.22Å; V62-V76 HydrophobicContact CG2-CG2 4.1Å; V74-V76 HydrophobicContact CG1-CG2 3.89Å; V76-E166 WeakPolarHBondContact O-CA 3.22Å; V76-V167 HydrophobicContact CB-CB 3.95Å; V76-V167 HydrophobicContact CB-CG2 3.86Å; V76-V167 HydrophobicContact CG1-CB 4.47Å; V76-V167 HydrophobicContact CG1-CG2 3.84Å; V76-V167 PolarHBondContact O-N 2.9Å; V76-T169 HydrophobicContact CG2-CG2 4.27Å; V76-M179 HydrophobicContact CG2-CB 4Å; V76-M179 HydrophobicContact CG2-CG 4.47Å
77	F	96.6	Very high	91.8	Very high	79 Å²	79	42.6 Å²	42.6	35%	0.346	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.2	173.6	-60.6	-76.3	0	0	0	109	E60 T61 H63 K75 Y165 E166	E60-F77 CarbonylContact C-O 3.6Å; E60-F77 WeakPolarHBondContact CA-O 3.42Å; T61-F77 PolarHBondContact N-O 3.44Å; T61-F77 PolarHBondContact O-N 3.28Å; H63-F77 AromaticContact CD2-CD2 3.72Å; H63-F77 AromaticContact CD2-CE2 3.96Å; K75-F77 HydrophobicContact CB-CE2 3.87Å; K75-F77 HydrophobicContact CB-CZ 4.24Å; K75-F77 HydrophobicContact CD-CE2 4.29Å; K75-F77 HydrophobicContact CD-CZ 4.08Å; F77-Y165 WeakPolarHBondContact CA-O 3.49Å; F77-E166 HydrophobicContact CD1-CB 4Å; F77-E166 HydrophobicContact CD1-CG 4.03Å; F77-E166 HydrophobicContact CE1-CB 4.03Å; F77-E166 HydrophobicContact CE1-CG 3.7Å; F77-E166 HydrophobicContact CZ-CG 4.47Å
78	G	97.1	Very high	92	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	158.1	173.9	0	0	0	0	0	113.7	I59 R164 Y165	I59-G78 CarbonylContact O-C 3.59Å; I59-G78 WeakPolarHBondContact O-CA 3.11Å; G78-R164 CarbonylContact O-C 3.54Å; G78-R164 VanDerWaalsContact O-CA 3.26Å; G78-R164 WeakPolarHBondContact O-CA 3.38Å; G78-Y165 PolarHBondContact N-O 2.82Å; G78-Y165 PolarHBondContact O-N 2.77Å
79	S	97.7	Very high	92.4	Very high	21 Å²	21	31.1 Å²	31.1	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.3	171.1	66.2	0	0	0	0	110.8	I58 I59 M163	I58-S79 WeakPolarHBondContact CA-O 3.32Å; I59-S79 PolarHBondContact N-O 3.31Å; I59-S79 PolarHBondContact O-N 3.39Å; S79-M163 CarbonylContact C-O 3.47Å; S79-M163 WeakPolarHBondContact CA-O 3.45Å
80	V	97.5	Very high	92.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.7	175.6	-174.3	0	0	0	0	108.4	V56 A57 F103 V162 M163 Y165	V56-V80 HydrophobicContact CG1-CG1 3.67Å; A57-V80 WeakPolarHBondContact O-CA 3.35Å; V80-F103 HydrophobicContact CG1-CE2 4.23Å; V80-F103 HydrophobicContact CG1-CZ 3.98Å; V80-V162 HydrophobicContact CB-CG2 4.14Å; V80-V162 HydrophobicContact CG1-CG2 4.03Å; V80-V162 PolarHBondContact O-N 3.25Å; V80-M163 HydrophobicContact CB-CB 4.15Å; V80-M163 HydrophobicContact CG2-CB 4.27Å; V80-M163 PolarHBondContact N-O 3.42Å; V80-Y165 HydrophobicContact CG2-CD1 4.37Å; V80-Y165 HydrophobicContact CG2-CE1 3.94Å
81	T	97.6	Very high	93.6	Very high	25 Å²	25	29.1 Å²	29.1	15%	0.153	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.1	176.1	-64.3	0	0	0	0	109.9	V56 A57 N159 L160	V56-T81 CarbonylContact C-O 3.49Å; V56-T81 WeakPolarHBondContact CA-O 3.45Å; A57-T81 PolarHBondContact N-O 3.32Å; A57-T81 PolarHBondContact O-N 3.43Å; T81-N159 HydrophobicContact CG2-CB 3.86Å; T81-L160 CarbonylContact C-O 3.54Å; T81-L160 WeakPolarHBondContact CA-O 3.29Å
82	V	97.1	Very high	94.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.8	178.3	-174.9	0	0	0	0	108.5	I54 A55 V56 F84 F136 L160 V162	I54-V82 HydrophobicContact CG2-CG1 3.22Å; A55-V82 CarbonylContact O-C 3.51Å; A55-V82 WeakPolarHBondContact O-CA 3.04Å; V56-V82 HydrophobicContact CG2-CG2 4.46Å; V82-F84 HydrophobicContact CB-CE2 4.05Å; V82-F84 HydrophobicContact CG1-CD2 4.26Å; V82-F84 HydrophobicContact CG1-CE2 3.5Å; V82-F84 HydrophobicContact CG1-CZ 3.75Å; V82-F136 HydrophobicContact CG2-CZ 4.42Å; V82-L160 PolarHBondContact N-O 2.9Å; V82-L160 PolarHBondContact O-N 3.11Å; V82-V162 HydrophobicContact CB-CG1 4.11Å; V82-V162 HydrophobicContact CG2-CB 4.36Å; V82-V162 HydrophobicContact CG2-CG1 3.72Å; V82-V162 HydrophobicContact CG2-CG2 3.68Å
83	S	96.8	Very high	94.4	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.119	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	-174.7	-40.9	0	0	0	0	110.4	A55 Y158 N159	A55-S83 PolarHBondContact N-O 3.37Å; A55-S83 VanDerWaalsContact N-O 3.11Å; A55-S83 PolarHBondContact O-N 3.23Å; S83-Y158 WeakPolarHBondContact CA-O 3.37Å; S83-N159 VanDerWaalsContact CB-OD1 3.29Å; S83-N159 WeakPolarHBondContact CB-OD1 3.35Å; S83-N159 PolarHBondContact OG-OD1 3.45Å
84	F	95.3	Very high	94.6	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.9	-178.5	-66	-98.1	0	0	0	109.9	I54 V82 L101 L141 L145 Y157 Y158 L160	I54-F84 HydrophobicContact CD1-CB 4.49Å; I54-F84 HydrophobicContact CD1-CD1 3.21Å; I54-F84 HydrophobicContact CD1-CE1 3.41Å; I54-F84 VanDerWaalsContact CD1-CE1 3.41Å; I54-F84 HydrophobicContact CD1-CG 3.93Å; I54-F84 HydrophobicContact CD1-CZ 4.27Å; I54-F84 HydrophobicContact CG1-CE1 4.41Å; V82-F84 HydrophobicContact CB-CE2 4.05Å; V82-F84 HydrophobicContact CG1-CD2 4.26Å; V82-F84 HydrophobicContact CG1-CE2 3.5Å; V82-F84 HydrophobicContact CG1-CZ 3.75Å; F84-L101 HydrophobicContact CE1-CD2 3.9Å; F84-L101 HydrophobicContact CZ-CD2 3.73Å; F84-L141 HydrophobicContact CE1-CD1 4.26Å; F84-L141 HydrophobicContact CE1-CD2 3.77Å; F84-L141 HydrophobicContact CE2-CD1 3.93Å; F84-L141 HydrophobicContact CZ-CD1 3.75Å; F84-L141 HydrophobicContact CZ-CD2 3.82Å; F84-L141 HydrophobicContact CZ-CG 4.42Å; F84-L145 HydrophobicContact CB-CD1 4.4Å; F84-L145 HydrophobicContact CB-CD2 4.1Å; F84-L145 HydrophobicContact CD1-CD1 4.23Å; F84-L145 HydrophobicContact CD2-CD2 4.04Å; F84-L145 HydrophobicContact CG-CD1 4.2Å; F84-L145 HydrophobicContact CG-CD2 4.11Å; F84-Y157 CarbonylContact O-C 3.48Å; F84-Y157 VanDerWaalsContact O-CA 3.26Å; F84-Y157 WeakPolarHBondContact O-CA 3.21Å; F84-Y158 PolarHBondContact N-O 3.24Å; F84-Y158 PolarHBondContact O-N 2.9Å; F84-L160 HydrophobicContact CD2-CD1 4.18Å; F84-L160 HydrophobicContact CE2-CD1 3.86Å; F84-L160 HydrophobicContact CE2-CG 4.45Å
85	P	94.7	Very high	94.7	Very high	17 Å²	17	39 Å²	39	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	138.5	174.8	26.8	-33.4	0	0	0	109.9	L48 I52 P53 G87 C88 Y157	L48-P85 HydrophobicContact CD1-CG 4.11Å; I52-P85 HydrophobicContact CG2-CG 4.18Å; P53-P85 HydrophobicContact CG-CG 4.43Å; P53-P85 WeakPolarHBondContact O-CD 3.49Å; P53-P85 WeakPolarHBondContact O-CG 3.42Å; P85-G87 PolarHBondContact O-N 3.48Å; P85-G87 VanDerWaalsContact O-N 3.11Å; P85-C88 HydrophobicContact CG-CB 4.38Å; P85-C88 WeakPolarHBondContact O-CB 3.37Å; P85-C88 PolarHBondContact O-N 3.13Å; P85-C88 PolarHBondContact O-SG 2.82Å; P85-Y157 HydrophobicContact CB-CD1 4.23Å; P85-Y157 HydrophobicContact CB-CE1 4.09Å
86	S	93	Very high	94.6	Very high	46 Å²	46	34.6 Å²	34.6	32%	0.322	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.2	-172.8	58.4	0	0	0	0	113.9	C88 L89 A155 P156	S86-C88 PolarHBondContact O-N 3.11Å; S86-C88 VanDerWaalsContact O-N 3.13Å; S86-L89 WeakPolarHBondContact O-CB 3.26Å; S86-L89 PolarHBondContact O-N 3.42Å; S86-A155 VanDerWaalsContact CB-O 3.26Å; S86-A155 WeakPolarHBondContact CB-O 3.42Å; S86-A155 PolarHBondContact OG-O 3.08Å; S86-P156 PolarHBondContact N-O 3.16Å; S86-P156 PolarHBondContact OG-O 3.41Å
87	G	91.3	Very high	94.5	Very high	36 Å²	36	39 Å²	39	37%	0.371	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.5	175.1	0	0	0	0	0	114.7	L48 P85 L89 Q90	L48-G87 WeakPolarHBondContact CD2-O 3.36Å; P85-G87 PolarHBondContact O-N 3.48Å; P85-G87 VanDerWaalsContact O-N 3.11Å; G87-L89 PolarHBondContact O-N 3.12Å; G87-Q90 PolarHBondContact O-N 3.19Å
88	C	93.3	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-22.9	-178.1	77.7	0	0	0	0	112.4	L48 I52 P85 S86 Q90 L91 L92	L48-C88 VanDerWaalsContact CD2-CA 3.41Å; L48-C88 HydrophobicContact CD2-CB 3.97Å; L48-C88 VanDerWaalsContact CD2-N 3.25Å; I52-C88 HydrophobicContact CD1-CB 4.14Å; I52-C88 HydrophobicContact CG1-CB 4.31Å; I52-C88 HydrophobicContact CG2-CB 3.66Å; P85-C88 HydrophobicContact CG-CB 4.38Å; P85-C88 WeakPolarHBondContact O-CB 3.37Å; P85-C88 PolarHBondContact O-N 3.13Å; P85-C88 PolarHBondContact O-SG 2.82Å; S86-C88 PolarHBondContact O-N 3.11Å; S86-C88 VanDerWaalsContact O-N 3.13Å; C88-Q90 PolarHBondContact O-N 3.34Å; C88-L91 PolarHBondContact O-N 2.91Å; C88-L91 VanDerWaalsContact O-N 3.07Å; C88-L92 WeakPolarHBondContact O-CG 3.46Å; C88-L92 PolarHBondContact O-N 3.01Å
89	L	93.3	Very high	93.9	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-35.6	-178.7	-171.2	65.3	0	0	0	111.8	S86 G87 L91 K93 L142 L145 Q146 A149	S86-L89 WeakPolarHBondContact O-CB 3.26Å; S86-L89 PolarHBondContact O-N 3.42Å; G87-L89 PolarHBondContact O-N 3.12Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-K93 HydrophobicContact CG-CD 4.43Å; L89-K93 WeakPolarHBondContact O-CB 3.32Å; L89-K93 VanDerWaalsContact O-CG 3.23Å; L89-K93 WeakPolarHBondContact O-CG 3.48Å; L89-K93 PolarHBondContact O-N 3.42Å; L89-K93 VanDerWaalsContact O-N 3.08Å; L89-L142 HydrophobicContact CD1-CD1 3.78Å; L89-L145 HydrophobicContact CD1-CB 3.89Å; L89-Q146 HydrophobicContact CD1-CG 3.78Å; L89-A149 HydrophobicContact CD2-CB 3.74Å
90	Q	92.3	Very high	93.7	Very high	109 Å²	109	43.7 Å²	43.7	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-38.6	177.4	-174	174.9	4.9	0	0	111.8	L45 G87 C88 Q94	L45-Q90 HydrophobicContact CD1-CB 4.27Å; L45-Q90 HydrophobicContact CD1-CG 4.39Å; G87-Q90 PolarHBondContact O-N 3.19Å; C88-Q90 PolarHBondContact O-N 3.34Å; Q90-Q94 WeakPolarHBondContact O-CG 3.27Å
91	L	92.4	Very high	93.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-45.8	179.1	-59.9	179.7	0	0	0	112	L45 L48 Q49 I52 C88 L89 K93 Q94 D95 Y99	L45-L91 HydrophobicContact CD1-CD2 3.61Å; L45-L91 HydrophobicContact CD1-CG 3.9Å; L45-L91 HydrophobicContact CG-CD2 4.17Å; L48-L91 HydrophobicContact CB-CD1 3.68Å; L48-L91 HydrophobicContact CD2-CD1 3.72Å; L48-L91 HydrophobicContact CD2-CG 4.43Å; L48-L91 HydrophobicContact CG-CD1 3.53Å; L48-L91 VanDerWaalsContact O-CD1 3.28Å; L48-L91 WeakPolarHBondContact O-CD1 3.34Å; Q49-L91 HydrophobicContact CG-CD1 4.36Å; Q49-L91 HydrophobicContact CG-CD2 3.47Å; Q49-L91 VanDerWaalsContact CG-CD2 3.47Å; I52-L91 HydrophobicContact CG1-CD1 4.37Å; C88-L91 PolarHBondContact O-N 2.91Å; C88-L91 VanDerWaalsContact O-N 3.07Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L91-K93 VanDerWaalsContact C-N 3.26Å; L91-K93 PolarHBondContact O-N 3.17Å; L91-Q94 WeakPolarHBondContact O-CB 3.47Å; L91-Q94 PolarHBondContact O-N 3.34Å; L91-D95 PolarHBondContact O-N 2.93Å; L91-Y99 HydrophobicContact CB-CE2 4.31Å
92	L	94.1	Very high	93.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-30.8	179.8	-64.6	178.3	0	0	0	112	I52 C88 Q94 A96 Y99 M138 L142 L145	I52-L92 HydrophobicContact CD1-CD2 4.09Å; I52-L92 HydrophobicContact CD1-CG 4.42Å; C88-L92 WeakPolarHBondContact O-CG 3.46Å; C88-L92 PolarHBondContact O-N 3.01Å; L92-Q94 VanDerWaalsContact C-N 3.3Å; L92-Q94 PolarHBondContact O-N 3.4Å; L92-A96 HydrophobicContact CB-CB 4.49Å; L92-A96 WeakPolarHBondContact O-CA 3.49Å; L92-A96 WeakPolarHBondContact O-CB 3.33Å; L92-A96 PolarHBondContact O-N 3.14Å; L92-Y99 HydrophobicContact CD2-CD2 4.02Å; L92-Y99 HydrophobicContact CD2-CG 4.24Å; L92-M138 HydrophobicContact CD2-CE 3.73Å; L92-L142 HydrophobicContact CB-CD1 3.94Å; L92-L145 HydrophobicContact CD1-CD1 3.76Å
93	K	94.8	Very high	93.2	Very high	117 Å²	117	49.5 Å²	49.5	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-30.3	172.1	-78.9	176.4	178.9	176.6	0	113.4	L89 L91 L142	L89-K93 HydrophobicContact CG-CD 4.43Å; L89-K93 WeakPolarHBondContact O-CB 3.32Å; L89-K93 VanDerWaalsContact O-CG 3.23Å; L89-K93 WeakPolarHBondContact O-CG 3.48Å; L89-K93 PolarHBondContact O-N 3.42Å; L89-K93 VanDerWaalsContact O-N 3.08Å; L91-K93 VanDerWaalsContact C-N 3.26Å; L91-K93 PolarHBondContact O-N 3.17Å; K93-L142 HydrophobicContact CG-CD1 3.86Å
94	Q	93.2	Very high	93	Very high	131 Å²	131	51.2 Å²	51.2	61%	0.612	30%	0.297	S	S	*	.	H	α-helix	trans	-73.9	-52.7	177.5	-69.7	174.4	-10.6	0	0	110.5	Q90 L91 L92	Q90-Q94 WeakPolarHBondContact O-CG 3.27Å; L91-Q94 WeakPolarHBondContact O-CB 3.47Å; L91-Q94 PolarHBondContact O-N 3.34Å; L92-Q94 VanDerWaalsContact C-N 3.3Å; L92-Q94 PolarHBondContact O-N 3.4Å
95	D	92.1	Very high	92.9	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-157	93.2	175.6	-175.2	0.4	0	0	0	111.1	L91 S97 A98 Y99	L91-D95 PolarHBondContact O-N 2.93Å; D95-S97 PolarHBondContact O-N 2.89Å; D95-S97 WeakPolarHBondContact OD1-CA 3.36Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 2.87Å; D95-S97 PolarHBondContact OD1-OG 3.43Å; D95-A98 HydrophobicContact CB-CB 4.22Å; D95-A98 PolarHBondContact O-N 3.28Å; D95-A98 PolarHBondContact OD1-N 2.91Å; D95-Y99 WeakPolarHBondContact O-CD2 3.46Å
96	A	92.9	Very high	92.8	Very high	12 Å²	12	56.3 Å²	56.3	10%	0.099	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-64.6	-23.8	176	0	0	0	0	0	112.8	L92 A98 Y99 M138 L142	L92-A96 HydrophobicContact CB-CB 4.49Å; L92-A96 WeakPolarHBondContact O-CA 3.49Å; L92-A96 WeakPolarHBondContact O-CB 3.33Å; L92-A96 PolarHBondContact O-N 3.14Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-Y99 PolarHBondContact O-N 3.48Å; A96-M138 HydrophobicContact CB-CB 4.03Å; A96-M138 WeakPolarHBondContact O-CB 3.32Å; A96-L142 HydrophobicContact CB-CD2 4.44Å
97	S	90.5	Very high	92.6	Very high	94 Å²	94	58.8 Å²	58.8	66%	0.657	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-77.3	-20.1	-177.2	74.6	0	0	0	0	113.3	D95 Y99	D95-S97 PolarHBondContact O-N 2.89Å; D95-S97 WeakPolarHBondContact OD1-CA 3.36Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 2.87Å; D95-S97 PolarHBondContact OD1-OG 3.43Å; S97-Y99 PolarHBondContact O-N 2.89Å
98	A	90.4	Very high	92.6	Very high	59 Å²	59	57.7 Å²	57.7	49%	0.488	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-69	-14.8	173.4	0	0	0	0	0	113.7	D95 A96 P100	D95-A98 HydrophobicContact CB-CB 4.22Å; D95-A98 PolarHBondContact O-N 3.28Å; D95-A98 PolarHBondContact OD1-N 2.91Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A98-P100 VanDerWaalsContact C-CD 3.41Å; A98-P100 VanDerWaalsContact O-CD 3.32Å; A98-P100 WeakPolarHBondContact O-CD 3.35Å
99	Y	91.6	Very high	92.4	Very high	54 Å²	54	61.1 Å²	61.1	21%	0.212	34%	0.338	C	S	.	.	S	Bend	trans	-121.4	61.9	-174.9	-58	-88.2	0	0	0	112.2	Q49 I52 L91 L92 D95 A96 S97 L101 M138	Q49-Y99 PolarHBondContact O-OH 2.96Å; I52-Y99 HydrophobicContact CD1-CD1 3.64Å; I52-Y99 HydrophobicContact CD1-CD2 4.48Å; I52-Y99 HydrophobicContact CD1-CE1 4.02Å; I52-Y99 HydrophobicContact CD1-CG 3.9Å; I52-Y99 HydrophobicContact CG1-CD1 4.16Å; I52-Y99 HydrophobicContact CG1-CE1 4.25Å; L91-Y99 HydrophobicContact CB-CE2 4.31Å; L92-Y99 HydrophobicContact CD2-CD2 4.02Å; L92-Y99 HydrophobicContact CD2-CG 4.24Å; D95-Y99 WeakPolarHBondContact O-CD2 3.46Å; A96-Y99 PolarHBondContact O-N 3.48Å; S97-Y99 PolarHBondContact O-N 2.89Å; Y99-L101 PolarHBondContact O-N 3.28Å; Y99-M138 WeakPolarHBondContact O-CE 3.43Å; Y99-M138 VanDerWaalsContact O-SD 3.37Å
100	P	93	Very high	92.2	Very high	94 Å²	94	67.6 Å²	67.6	61%	0.61	36%	0.361	S	S	*	.			trans	-60.2	132.7	177.4	27.5	-34.6	0	0	0	110.5	A98	A98-P100 VanDerWaalsContact C-CD 3.41Å; A98-P100 VanDerWaalsContact O-CD 3.32Å; A98-P100 WeakPolarHBondContact O-CD 3.35Å
101	L	95.5	Very high	92.2	Very high	41 Å²	41	64.2 Å²	64.2	22%	0.215	35%	0.345	C	S	.	.			trans	-116.8	121.3	180	178.7	63.1	0	0	0	110.3	F84 Y99 F136 M138 L141	F84-L101 HydrophobicContact CE1-CD2 3.9Å; F84-L101 HydrophobicContact CZ-CD2 3.73Å; Y99-L101 PolarHBondContact O-N 3.28Å; L101-F136 HydrophobicContact CB-CB 4.12Å; L101-F136 HydrophobicContact CB-CD2 4.17Å; L101-F136 HydrophobicContact CB-CG 4.27Å; L101-F136 HydrophobicContact CD2-CB 4.49Å; L101-F136 HydrophobicContact CD2-CD1 4.1Å; L101-F136 HydrophobicContact CD2-CD2 3.73Å; L101-F136 HydrophobicContact CD2-CE1 4.2Å; L101-F136 HydrophobicContact CD2-CE2 3.85Å; L101-F136 HydrophobicContact CD2-CG 3.86Å; L101-F136 HydrophobicContact CD2-CZ 4.08Å; L101-F136 HydrophobicContact CG-CD2 3.68Å; L101-F136 HydrophobicContact CG-CE2 4.03Å; L101-F136 HydrophobicContact CG-CG 4.11Å; L101-F136 PolarHBondContact O-N 3.3Å; L101-M138 HydrophobicContact CB-SD 3.95Å; L101-L141 HydrophobicContact CD2-CD2 4.49Å
102	V	94.2	Very high	92.2	Very high	73 Å²	73	69.5 Å²	69.5	44%	0.442	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.2	177.6	-178.2	0	0	0	0	109.6	K133 Y134 E135	V102-K133 HydrophobicContact CG1-CB 4.42Å; V102-Y134 CarbonylContact C-O 3.55Å; V102-Y134 WeakPolarHBondContact CA-O 3.44Å; V102-E135 HydrophobicContact CG2-CB 4.45Å; V102-E135 HydrophobicContact CG2-CG 4.33Å
103	F	91.7	Very high	92.3	Very high	37 Å²	37	71.7 Å²	71.7	16%	0.162	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.7	174.1	-179.7	-98.1	0	0	0	110	V56 V80 L105 K133 Y134 F136 M163	V56-F103 HydrophobicContact CG1-CE2 4.42Å; V80-F103 HydrophobicContact CG1-CE2 4.23Å; V80-F103 HydrophobicContact CG1-CZ 3.98Å; F103-L105 HydrophobicContact CE1-CB 4.05Å; F103-L105 HydrophobicContact CE1-CD1 4.38Å; F103-K133 CarbonylContact O-C 3.43Å; F103-K133 WeakPolarHBondContact O-CA 3.38Å; F103-Y134 HydrophobicContact CD1-CD2 4.12Å; F103-Y134 PolarHBondContact N-O 2.99Å; F103-Y134 PolarHBondContact O-N 3.46Å; F103-F136 HydrophobicContact CB-CE2 4.09Å; F103-M163 HydrophobicContact CE1-CE 4.26Å
104	S	92.7	Very high	92.3	Very high	53 Å²	53	68 Å²	68	37%	0.371	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.8	176.1	-60.3	0	0	0	0	109.8	H132	S104-H132 CarbonylContact C-O 3.53Å; S104-H132 WeakPolarHBondContact CA-O 3.41Å
105	L	93.3	Very high	92.5	Very high	17 Å²	17	66.6 Å²	66.6	9%	0.089	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.1	170.5	-173.2	69.2	0	0	0	108.5	F103 V108 V114 C131 H132 Y134 M163	F103-L105 HydrophobicContact CE1-CB 4.05Å; F103-L105 HydrophobicContact CE1-CD1 4.38Å; L105-V108 HydrophobicContact CB-CG2 4.12Å; L105-V108 HydrophobicContact CD2-CG2 3.91Å; L105-V108 HydrophobicContact CG-CG2 3.92Å; L105-V108 WeakPolarHBondContact O-CG2 3.38Å; L105-V114 HydrophobicContact CD2-CG1 4.26Å; L105-V114 HydrophobicContact CD2-CG2 4.07Å; L105-C131 CarbonylContact O-C 3.6Å; L105-C131 VanDerWaalsContact O-CA 3.28Å; L105-C131 WeakPolarHBondContact O-CA 3.45Å; L105-H132 PolarHBondContact N-O 3.17Å; L105-H132 PolarHBondContact O-N 3.48Å; L105-Y134 HydrophobicContact CB-CE2 4.21Å; L105-M163 HydrophobicContact CD1-SD 4.35Å; L105-M163 HydrophobicContact CD2-CE 4.38Å; L105-M163 HydrophobicContact CD2-SD 3.72Å; L105-M163 HydrophobicContact CG-SD 4.48Å
106	K	92.7	Very high	92.7	Very high	114 Å²	114	65.4 Å²	65.4	50%	0.496	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	164	174	-66	-178.5	176.1	178.4	0	110.5	E12 V108 F130	E12-K106 IonicContact OE1-NZ 2.82Å; E12-K106 PolarHBondContact OE1-NZ 2.86Å; K106-V108 VanDerWaalsContact C-N 3.25Å; K106-V108 PolarHBondContact O-N 3.46Å; K106-F130 CarbonylContact C-O 3.58Å
107	N	89.5	Confident	92.9	Very high	98 Å²	98	67.4 Å²	67.4	52%	0.524	37%	0.372	S	S	.	.			trans	57.7	34.2	179.1	-58.9	-30.7	0	0	0	113.7	S109 R110 F130	N107-S109 PolarHBondContact O-N 3.27Å; N107-S109 VanDerWaalsContact O-N 3.16Å; N107-R110 WeakPolarHBondContact O-CB 3.43Å; N107-R110 PolarHBondContact O-N 3.28Å; N107-F130 PolarHBondContact N-O 3.35Å
108	V	90.3	Very high	93.1	Very high	13 Å²	13	70.1 Å²	70.1	8%	0.079	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-64.5	-22.4	-178.7	-166.6	0	0	0	0	112.3	L105 K106 R110 M111 V114 F130 H132	L105-V108 HydrophobicContact CB-CG2 4.12Å; L105-V108 HydrophobicContact CD2-CG2 3.91Å; L105-V108 HydrophobicContact CG-CG2 3.92Å; L105-V108 WeakPolarHBondContact O-CG2 3.38Å; K106-V108 VanDerWaalsContact C-N 3.25Å; K106-V108 PolarHBondContact O-N 3.46Å; V108-R110 PolarHBondContact O-N 2.84Å; V108-R110 VanDerWaalsContact O-N 3.13Å; V108-M111 HydrophobicContact CG1-CB 4.34Å; V108-M111 HydrophobicContact CG1-CG 4.39Å; V108-M111 WeakPolarHBondContact O-CB 3.3Å; V108-M111 PolarHBondContact O-N 3.5Å; V108-V114 HydrophobicContact CG1-CG2 4.22Å; V108-F130 PolarHBondContact N-O 3.43Å; V108-H132 WeakPolarHBondContact CG1-CE1 3.46Å; V108-H132 HydrophobicContact CG2-CB 4.04Å
109	S	89.5	Confident	93.3	Very high	72 Å²	72	75.1 Å²	75.1	50%	0.503	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-61.8	-16	171.8	63.9	0	0	0	0	114	N107	N107-S109 PolarHBondContact O-N 3.27Å; N107-S109 VanDerWaalsContact O-N 3.16Å
110	R	89	Confident	93.6	Very high	152 Å²	152	72.6 Å²	72.6	57%	0.574	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-92.3	0.4	172.5	-63	-172	172.8	-157.7	-3.1	112.8	N107 V108 V167 Q168	N107-R110 WeakPolarHBondContact O-CB 3.43Å; N107-R110 PolarHBondContact O-N 3.28Å; V108-R110 PolarHBondContact O-N 2.84Å; V108-R110 VanDerWaalsContact O-N 3.13Å; R110-V167 CarbonylContact O-C 3.58Å; R110-V167 VanDerWaalsContact O-CG1 3.3Å; R110-V167 WeakPolarHBondContact O-CG1 3.45Å; R110-Q168 WeakPolarHBondContact O-CB 3.4Å; R110-Q168 PolarHBondContact O-N 3.07Å
111	M	92.1	Very high	93.7	Very high	37 Å²	37	68.4 Å²	68.4	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.8	-178.8	-55.9	-61.4	164.5	0	0	109.4	V108 V114 Y165 E166 V167	V108-M111 HydrophobicContact CG1-CB 4.34Å; V108-M111 HydrophobicContact CG1-CG 4.39Å; V108-M111 WeakPolarHBondContact O-CB 3.3Å; V108-M111 PolarHBondContact O-N 3.5Å; M111-V114 HydrophobicContact CB-CG2 3.78Å; M111-V114 HydrophobicContact CG-CG2 4.09Å; M111-Y165 HydrophobicContact CE-CD2 4.01Å; M111-Y165 HydrophobicContact CE-CE2 4.08Å; M111-Y165 HydrophobicContact SD-CD2 3.37Å; M111-Y165 WeakPolarHBondContact SD-CD2 3.34Å; M111-Y165 HydrophobicContact SD-CE2 4Å; M111-Y165 HydrophobicContact SD-CG 3.91Å; M111-E166 CarbonylContact C-O 3.56Å; M111-E166 WeakPolarHBondContact CA-O 3.21Å; M111-V167 HydrophobicContact SD-CG2 4.16Å
112	H	93.8	Very high	93.8	Very high	113 Å²	113	69.4 Å²	69.4	52%	0.523	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	-45.4	169.8	-176.3	71.3	0	0	0	110.8	E166 Q168	H112-E166 HydrophobicContact CB-CB 4.25Å; H112-E166 HydrophobicContact CB-CG 4.11Å; H112-E166 IonicContact CD2-OE2 3.35Å; H112-E166 PolarHBondContact CD2-OE2 3.37Å; H112-E166 PolarHBondContact N-O 2.78Å; H112-Q168 HydrophobicContact CB-CB 4.48Å; H112-Q168 PolarHBondContact ND1-OE1 2.83Å
113	S	95.3	Very high	93.8	Very high	48 Å²	48	71.4 Å²	71.4	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.3	178.5	72.5	0	0	0	0	111.5	Y165 E166	S113-Y165 WeakPolarHBondContact O-CA 2.99Å; S113-Y165 WeakPolarHBondContact O-CB 3.27Å; S113-E166 PolarHBondContact N-O 3.34Å; S113-E166 PolarHBondContact O-N 2.87Å
114	V	95.6	Very high	93.8	Very high	39 Å²	39	72 Å²	72	24%	0.236	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.3	174.8	-179.7	0	0	0	0	109	L105 V108 M111 M163	L105-V114 HydrophobicContact CD2-CG1 4.26Å; L105-V114 HydrophobicContact CD2-CG2 4.07Å; V108-V114 HydrophobicContact CG1-CG2 4.22Å; M111-V114 HydrophobicContact CB-CG2 3.78Å; M111-V114 HydrophobicContact CG-CG2 4.09Å; V114-M163 HydrophobicContact CG1-CE 3.89Å; V114-M163 HydrophobicContact CG1-CG 3.74Å; V114-M163 HydrophobicContact CG1-SD 3.51Å; V114-M163 VanDerWaalsContact CG1-SD 3.51Å
115	V	96.9	Very high	93.6	Very high	101 Å²	101	75.6 Å²	75.6	61%	0.612	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.1	174.6	-178	0	0	0	0	108.2	M163 R164	V115-M163 CarbonylContact O-C 3.52Å; V115-M163 VanDerWaalsContact O-CA 3.3Å; V115-M163 WeakPolarHBondContact O-CA 3.43Å; V115-M163 WeakPolarHBondContact O-CG 3.39Å; V115-R164 PolarHBondContact N-O 2.88Å; V115-R164 PolarHBondContact O-N 2.89Å; V115-R164 VanDerWaalsContact O-O 3.08Å
116	Y	96.4	Very high	93.1	Very high	52 Å²	52	77.1 Å²	77.1	20%	0.204	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	158.7	-179.4	66	-83.7	0	0	0	110.9	Q118 M121 Y134 V162	Y116-Q118 HydrophobicContact CD2-CG 4.17Å; Y116-Q118 HydrophobicContact CE1-CG 4.5Å; Y116-Q118 HydrophobicContact CE2-CB 4.4Å; Y116-Q118 HydrophobicContact CE2-CG 3.7Å; Y116-Q118 PolarHBondContact O-N 3.1Å; Y116-M121 HydrophobicContact CD2-CB 4.34Å; Y116-M121 HydrophobicContact CD2-CE 4.26Å; Y116-M121 WeakPolarHBondContact CE2-O 3.44Å; Y116-Y134 HydrophobicContact CD1-CD1 4.23Å; Y116-Y134 AromaticContact CD1-CE1 3.48Å; Y116-Y134 HydrophobicContact CD1-CE1 3.48Å; Y116-Y134 VanDerWaalsContact CD1-CE1 3.48Å; Y116-Y134 AromaticContact CD2-CD1 3.91Å; Y116-Y134 HydrophobicContact CD2-CD1 3.91Å; Y116-Y134 HydrophobicContact CD2-CE1 4.01Å; Y116-Y134 HydrophobicContact CE1-CD1 4.47Å; Y116-Y134 AromaticContact CE1-CE1 3.75Å; Y116-Y134 HydrophobicContact CE1-CE1 3.75Å; Y116-Y134 HydrophobicContact CE2-CD1 4.15Å; Y116-Y134 HydrophobicContact CE2-CE1 4.23Å; Y116-Y134 AromaticContact CG-CD1 3.94Å; Y116-Y134 HydrophobicContact CG-CD1 3.94Å; Y116-Y134 AromaticContact CG-CE1 3.61Å; Y116-Y134 HydrophobicContact CG-CE1 3.61Å; Y116-V162 WeakPolarHBondContact CA-O 3.46Å
117	N	95.9	Very high	92.5	Very high	55 Å²	55	81.7 Å²	81.7	29%	0.294	42%	0.418	S	S	.	.			trans	-71.3	96.2	177.7	-174.7	-19.3	0	0	0	110.7	K119 L120 M121 V162	N117-K119 PolarHBondContact O-N 2.92Å; N117-K119 WeakPolarHBondContact OD1-CB 3.15Å; N117-K119 PolarHBondContact OD1-N 3Å; N117-K119 VanDerWaalsContact OD1-N 3.11Å; N117-L120 HydrophobicContact CB-CB 4.02Å; N117-L120 PolarHBondContact O-N 2.81Å; N117-L120 VanDerWaalsContact O-N 3.13Å; N117-L120 PolarHBondContact OD1-N 2.84Å; N117-M121 PolarHBondContact O-N 3.1Å; N117-V162 PolarHBondContact N-O 2.99Å
118	Q	96	Very high	92	Very high	151 Å²	151	80.4 Å²	80.4	71%	0.706	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.7	-177.4	-67.4	179.6	-13.4	0	0	114.3	Y116 M121	Y116-Q118 HydrophobicContact CD2-CG 4.17Å; Y116-Q118 HydrophobicContact CE1-CG 4.5Å; Y116-Q118 HydrophobicContact CE2-CB 4.4Å; Y116-Q118 HydrophobicContact CE2-CG 3.7Å; Y116-Q118 PolarHBondContact O-N 3.1Å; Q118-M121 CarbonylContact C-O 3.58Å; Q118-M121 WeakPolarHBondContact CA-O 3.43Å
119	K	94.9	Very high	91.5	Very high	163 Å²	163	85.7 Å²	85.7	71%	0.709	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-37.7	172.6	-62.5	-178.8	179.5	179.4	0	110.8	N117 T140	N117-K119 PolarHBondContact O-N 2.92Å; N117-K119 WeakPolarHBondContact OD1-CB 3.15Å; N117-K119 PolarHBondContact OD1-N 3Å; N117-K119 VanDerWaalsContact OD1-N 3.11Å; K119-T140 WeakPolarHBondContact O-CG2 3.37Å; K119-T140 PolarHBondContact O-OG1 2.84Å
120	L	96.3	Very high	91.3	Very high	2 Å²	2	89 Å²	89	1%	0.01	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-31.2	-175.5	-174.1	60	0	0	0	112.7	N117 F136 N137 T140 L141 L160 V162	N117-L120 HydrophobicContact CB-CB 4.02Å; N117-L120 PolarHBondContact O-N 2.81Å; N117-L120 VanDerWaalsContact O-N 3.13Å; N117-L120 PolarHBondContact OD1-N 2.84Å; L120-F136 HydrophobicContact CD1-CD1 4.05Å; L120-F136 HydrophobicContact CD1-CE1 4.47Å; L120-F136 HydrophobicContact CD2-CD1 4.16Å; L120-F136 HydrophobicContact CD2-CE1 3.77Å; L120-F136 HydrophobicContact CG-CD1 3.76Å; L120-F136 HydrophobicContact CG-CE1 3.89Å; L120-F136 CarbonylContact O-C 3.59Å; L120-F136 WeakPolarHBondContact O-CA 3.05Å; L120-N137 PolarHBondContact O-N 2.79Å; L120-T140 HydrophobicContact CD1-CG2 4.47Å; L120-L141 HydrophobicContact CD1-CB 3.74Å; L120-L141 HydrophobicContact CD1-CD1 3.98Å; L120-L141 HydrophobicContact CD1-CG 4.46Å; L120-L160 HydrophobicContact CD2-CD1 4.25Å; L120-V162 HydrophobicContact CD2-CG1 4.04Å
121	M	96.6	Very high	91.4	Very high	5 Å²	5	83 Å²	83	3%	0.025	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.6	-174	-57.2	-178.8	-63	0	0	112.4	Y116 N117 Q118 E135 F136 V162	Y116-M121 HydrophobicContact CD2-CB 4.34Å; Y116-M121 HydrophobicContact CD2-CE 4.26Å; Y116-M121 WeakPolarHBondContact CE2-O 3.44Å; N117-M121 PolarHBondContact O-N 3.1Å; Q118-M121 CarbonylContact C-O 3.58Å; Q118-M121 WeakPolarHBondContact CA-O 3.43Å; M121-E135 CarbonylContact C-O 3.54Å; M121-E135 WeakPolarHBondContact CA-O 3.37Å; M121-F136 HydrophobicContact CG-CD1 3.93Å; M121-F136 HydrophobicContact CG-CD2 3.86Å; M121-F136 HydrophobicContact CG-CE1 4Å; M121-F136 HydrophobicContact CG-CE2 3.92Å; M121-F136 HydrophobicContact CG-CG 3.87Å; M121-F136 HydrophobicContact CG-CZ 4Å; M121-F136 HydrophobicContact SD-CD1 4.46Å; M121-F136 HydrophobicContact SD-CD2 3.88Å; M121-F136 HydrophobicContact SD-CE1 4.01Å; M121-F136 HydrophobicContact SD-CE2 3.35Å; M121-F136 WeakPolarHBondContact SD-CE2 3.41Å; M121-F136 HydrophobicContact SD-CG 4.41Å; M121-F136 HydrophobicContact SD-CZ 3.43Å; M121-F136 WeakPolarHBondContact SD-CZ 3.15Å; M121-V162 HydrophobicContact CE-CB 3.7Å; M121-V162 HydrophobicContact CE-CG2 4.28Å; M121-V162 WeakPolarHBondContact CE-O 3.28Å; M121-V162 HydrophobicContact SD-CB 4.16Å
122	S	96.1	Very high	91.5	Very high	62 Å²	62	82.3 Å²	82.3	43%	0.434	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.1	167.7	60.1	0	0	0	0	110.2	Y134 E135	S122-Y134 CarbonylContact O-C 3.58Å; S122-Y134 VanDerWaalsContact O-CA 3.3Å; S122-Y134 WeakPolarHBondContact O-CA 3.16Å; S122-E135 PolarHBondContact N-O 3.21Å; S122-E135 PolarHBondContact O-N 2.93Å
123	R	94.6	Very high	91.5	Very high	115 Å²	115	81.6 Å²	81.6	43%	0.434	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125	173.6	-175.2	176.4	172.8	-163.6	-6.2	109.4	H132 Y134	R123-H132 VanDerWaalsContact CZ-CE1 3.42Å; R123-H132 PolarHBondContact NH2-CD2 2.94Å; R123-H132 VanDerWaalsContact NH2-CD2 3.25Å; R123-H132 PolarHBondContact NH2-CE1 3.32Å; R123-H132 PolarHBondContact NH2-NE2 2.99Å; R123-Y134 HydrophobicContact CB-CD1 4.16Å; R123-Y134 HydrophobicContact CB-CE1 4.06Å; R123-Y134 HydrophobicContact CG-CD1 4.49Å; R123-Y134 HydrophobicContact CG-CE1 4.16Å
124	V	93.1	Very high	91.6	Very high	49 Å²	49	79.5 Å²	79.5	30%	0.297	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.2	173.9	-177.1	0	0	0	0	108.5	S126 K133 E135	V124-S126 PolarHBondContact O-N 3.18Å; V124-K133 HydrophobicContact CB-CB 4Å; V124-K133 HydrophobicContact CG2-CB 4.33Å; V124-K133 PolarHBondContact N-O 3.15Å; V124-E135 HydrophobicContact CG2-CB 3.9Å
125	P	88.3	Confident	91.6	Very high	130 Å²	130	81.8 Å²	81.8	84%	0.844	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-55.5	124.9	174.9	-25	34.3	0	0	0	110.9
126	S	82.3	Confident	91.6	Very high	48 Å²	48	77.4 Å²	77.4	34%	0.336	39%	0.385	S	S	.	.			trans	-127.2	147.8	177.1	-176.5	0	0	0	0	109.4	V124 T128	V124-S126 PolarHBondContact O-N 3.18Å; S126-T128 PolarHBondContact OG-N 2.8Å; S126-T128 PolarHBondContact OG-OG1 3.09Å; S126-T128 VanDerWaalsContact OG-OG1 3.05Å
127	K	79.3	Confident	91.6	Very high	211 Å²	211	78.5 Å²	78.5	92%	0.917	40%	0.395	S	S	*	.	S	Bend	trans	-85.8	-9.6	173.5	-65.2	-174.6	178.2	-177.5	0	112.9
128	T	80.6	Confident	91.7	Very high	71 Å²	71	77 Å²	77	44%	0.436	39%	0.386	S	S	.	.			trans	-103.9	125.6	-174.6	62.9	0	0	0	0	111.3	S126 F130 C131	S126-T128 PolarHBondContact OG-N 2.8Å; S126-T128 PolarHBondContact OG-OG1 3.09Å; S126-T128 VanDerWaalsContact OG-OG1 3.05Å; T128-F130 VanDerWaalsContact C-N 3.26Å; T128-F130 PolarHBondContact O-N 3.05Å; T128-C131 PolarHBondContact OG1-O 3.41Å
129	D	78.2	Confident	91.6	Very high	124 Å²	124	77.6 Å²	77.6	66%	0.663	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13	177.9	-60.9	-33.6	0	0	0	113.3
130	F	85.9	Confident	91.7	Very high	141 Å²	141	71.4 Å²	71.4	62%	0.618	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.7	-179.6	-55.5	-73.5	0	0	0	113.8	K106 N107 V108 T128	K106-F130 CarbonylContact C-O 3.58Å; N107-F130 PolarHBondContact N-O 3.35Å; V108-F130 PolarHBondContact N-O 3.43Å; T128-F130 VanDerWaalsContact C-N 3.26Å; T128-F130 PolarHBondContact O-N 3.05Å
131	C	91.4	Very high	91.8	Very high	26 Å²	26	71.3 Å²	71.3	18%	0.176	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	119.9	-172.8	-175.7	0	0	0	0	111.6	L105 T128	L105-C131 CarbonylContact O-C 3.6Å; L105-C131 VanDerWaalsContact O-CA 3.28Å; L105-C131 WeakPolarHBondContact O-CA 3.45Å; T128-C131 PolarHBondContact OG1-O 3.41Å
132	H	93.4	Very high	91.8	Very high	22 Å²	22	72.3 Å²	72.3	10%	0.102	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.3	174.2	-68.5	178.5	0	0	0	110.3	S104 L105 V108 R123 Y134	S104-H132 CarbonylContact C-O 3.53Å; S104-H132 WeakPolarHBondContact CA-O 3.41Å; L105-H132 PolarHBondContact N-O 3.17Å; L105-H132 PolarHBondContact O-N 3.48Å; V108-H132 WeakPolarHBondContact CG1-CE1 3.46Å; V108-H132 HydrophobicContact CG2-CB 4.04Å; R123-H132 VanDerWaalsContact CZ-CE1 3.42Å; R123-H132 PolarHBondContact NH2-CD2 2.94Å; R123-H132 VanDerWaalsContact NH2-CD2 3.25Å; R123-H132 PolarHBondContact NH2-CE1 3.32Å; R123-H132 PolarHBondContact NH2-NE2 2.99Å; H132-Y134 HydrophobicContact CB-CE2 3.58Å
133	K	94.6	Very high	91.8	Very high	99 Å²	99	73.6 Å²	73.6	43%	0.43	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.3	176.1	-64.4	-172.9	179.8	-179.9	0	110.4	V102 F103 V124	V102-K133 HydrophobicContact CG1-CB 4.42Å; F103-K133 CarbonylContact O-C 3.43Å; F103-K133 WeakPolarHBondContact O-CA 3.38Å; V124-K133 HydrophobicContact CB-CB 4Å; V124-K133 HydrophobicContact CG2-CB 4.33Å; V124-K133 PolarHBondContact N-O 3.15Å
134	Y	96.2	Very high	91.9	Very high	4 Å²	4	70.7 Å²	70.7	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125	-179.7	-59.8	-91	0	0	0	108.9	V102 F103 L105 Y116 S122 R123 H132 M163	V102-Y134 CarbonylContact C-O 3.55Å; V102-Y134 WeakPolarHBondContact CA-O 3.44Å; F103-Y134 HydrophobicContact CD1-CD2 4.12Å; F103-Y134 PolarHBondContact N-O 2.99Å; F103-Y134 PolarHBondContact O-N 3.46Å; L105-Y134 HydrophobicContact CB-CE2 4.21Å; Y116-Y134 HydrophobicContact CD1-CD1 4.23Å; Y116-Y134 AromaticContact CD1-CE1 3.48Å; Y116-Y134 HydrophobicContact CD1-CE1 3.48Å; Y116-Y134 VanDerWaalsContact CD1-CE1 3.48Å; Y116-Y134 AromaticContact CD2-CD1 3.91Å; Y116-Y134 HydrophobicContact CD2-CD1 3.91Å; Y116-Y134 HydrophobicContact CD2-CE1 4.01Å; Y116-Y134 HydrophobicContact CE1-CD1 4.47Å; Y116-Y134 AromaticContact CE1-CE1 3.75Å; Y116-Y134 HydrophobicContact CE1-CE1 3.75Å; Y116-Y134 HydrophobicContact CE2-CD1 4.15Å; Y116-Y134 HydrophobicContact CE2-CE1 4.23Å; Y116-Y134 AromaticContact CG-CD1 3.94Å; Y116-Y134 HydrophobicContact CG-CD1 3.94Å; Y116-Y134 AromaticContact CG-CE1 3.61Å; Y116-Y134 HydrophobicContact CG-CE1 3.61Å; S122-Y134 CarbonylContact O-C 3.58Å; S122-Y134 VanDerWaalsContact O-CA 3.3Å; S122-Y134 WeakPolarHBondContact O-CA 3.16Å; R123-Y134 HydrophobicContact CB-CD1 4.16Å; R123-Y134 HydrophobicContact CB-CE1 4.06Å; R123-Y134 HydrophobicContact CG-CD1 4.49Å; R123-Y134 HydrophobicContact CG-CE1 4.16Å; H132-Y134 HydrophobicContact CB-CE2 3.58Å; Y134-M163 HydrophobicContact CD1-CE 4.48Å; Y134-M163 HydrophobicContact CD2-CE 3.82Å; Y134-M163 HydrophobicContact CE1-CE 4.1Å; Y134-M163 HydrophobicContact CE2-CE 3.39Å; Y134-M163 HydrophobicContact CG-CE 4.34Å
135	E	96.8	Very high	92	Very high	86 Å²	86	68.3 Å²	68.3	40%	0.402	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.4	177.7	-177.1	171	-148	0	0	109.3	V102 M121 S122 V124	V102-E135 HydrophobicContact CG2-CB 4.45Å; V102-E135 HydrophobicContact CG2-CG 4.33Å; M121-E135 CarbonylContact C-O 3.54Å; M121-E135 WeakPolarHBondContact CA-O 3.37Å; S122-E135 PolarHBondContact N-O 3.21Å; S122-E135 PolarHBondContact O-N 2.93Å; V124-E135 HydrophobicContact CG2-CB 3.9Å
136	F	97.3	Very high	92.4	Very high	9 Å²	9	65.4 Å²	65.4	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.1	178.1	-79.9	-111.5	0	0	0	110.8	V82 L101 F103 L120 M121 M138 L141 V162	V82-F136 HydrophobicContact CG2-CZ 4.42Å; L101-F136 HydrophobicContact CB-CB 4.12Å; L101-F136 HydrophobicContact CB-CD2 4.17Å; L101-F136 HydrophobicContact CB-CG 4.27Å; L101-F136 HydrophobicContact CD2-CB 4.49Å; L101-F136 HydrophobicContact CD2-CD1 4.1Å; L101-F136 HydrophobicContact CD2-CD2 3.73Å; L101-F136 HydrophobicContact CD2-CE1 4.2Å; L101-F136 HydrophobicContact CD2-CE2 3.85Å; L101-F136 HydrophobicContact CD2-CG 3.86Å; L101-F136 HydrophobicContact CD2-CZ 4.08Å; L101-F136 HydrophobicContact CG-CD2 3.68Å; L101-F136 HydrophobicContact CG-CE2 4.03Å; L101-F136 HydrophobicContact CG-CG 4.11Å; L101-F136 PolarHBondContact O-N 3.3Å; F103-F136 HydrophobicContact CB-CE2 4.09Å; L120-F136 HydrophobicContact CD1-CD1 4.05Å; L120-F136 HydrophobicContact CD1-CE1 4.47Å; L120-F136 HydrophobicContact CD2-CD1 4.16Å; L120-F136 HydrophobicContact CD2-CE1 3.77Å; L120-F136 HydrophobicContact CG-CD1 3.76Å; L120-F136 HydrophobicContact CG-CE1 3.89Å; L120-F136 CarbonylContact O-C 3.59Å; L120-F136 WeakPolarHBondContact O-CA 3.05Å; M121-F136 HydrophobicContact CG-CD1 3.93Å; M121-F136 HydrophobicContact CG-CD2 3.86Å; M121-F136 HydrophobicContact CG-CE1 4Å; M121-F136 HydrophobicContact CG-CE2 3.92Å; M121-F136 HydrophobicContact CG-CG 3.87Å; M121-F136 HydrophobicContact CG-CZ 4Å; M121-F136 HydrophobicContact SD-CD1 4.46Å; M121-F136 HydrophobicContact SD-CD2 3.88Å; M121-F136 HydrophobicContact SD-CE1 4.01Å; M121-F136 HydrophobicContact SD-CE2 3.35Å; M121-F136 WeakPolarHBondContact SD-CE2 3.41Å; M121-F136 HydrophobicContact SD-CG 4.41Å; M121-F136 HydrophobicContact SD-CZ 3.43Å; M121-F136 WeakPolarHBondContact SD-CZ 3.15Å; F136-M138 HydrophobicContact CB-SD 4.05Å; F136-M138 PolarHBondContact O-N 2.62Å; F136-M138 VanDerWaalsContact O-N 3.1Å; F136-L141 HydrophobicContact CD1-CD1 4.42Å; F136-L141 HydrophobicContact CD1-CD2 4.19Å; F136-V162 HydrophobicContact CE1-CG1 4.07Å; F136-V162 HydrophobicContact CZ-CB 4.49Å; F136-V162 HydrophobicContact CZ-CG1 3.92Å
137	N	96.6	Very high	93	Very high	75 Å²	75	68.5 Å²	68.5	40%	0.401	33%	0.33	S	S	.	.			trans	-74.8	99	163.7	-174.9	-37.7	0	0	0	108.5	L120 K139 T140 L141	L120-N137 PolarHBondContact O-N 2.79Å; N137-K139 PolarHBondContact O-N 2.8Å; N137-K139 WeakPolarHBondContact OD1-CB 3.45Å; N137-K139 PolarHBondContact OD1-N 2.87Å; N137-K139 VanDerWaalsContact OD1-N 3.09Å; N137-T140 VanDerWaalsContact CG-OG1 3.23Å; N137-T140 PolarHBondContact ND2-OG1 2.88Å; N137-T140 PolarHBondContact O-N 3.45Å; N137-T140 VanDerWaalsContact O-N 3.1Å; N137-T140 PolarHBondContact OD1-N 2.89Å; N137-T140 PolarHBondContact OD1-OG1 2.86Å; N137-L141 WeakPolarHBondContact O-CB 3.46Å; N137-L141 PolarHBondContact O-N 3.03Å
138	M	96.4	Very high	93.7	Very high	23 Å²	23	60.3 Å²	60.3	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-25.9	-175.7	-62.9	-53	-61.3	0	0	113.7	L92 A96 Y99 L101 F136 L141 L142	L92-M138 HydrophobicContact CD2-CE 3.73Å; A96-M138 HydrophobicContact CB-CB 4.03Å; A96-M138 WeakPolarHBondContact O-CB 3.32Å; Y99-M138 WeakPolarHBondContact O-CE 3.43Å; Y99-M138 VanDerWaalsContact O-SD 3.37Å; L101-M138 HydrophobicContact CB-SD 3.95Å; F136-M138 HydrophobicContact CB-SD 4.05Å; F136-M138 PolarHBondContact O-N 2.62Å; F136-M138 VanDerWaalsContact O-N 3.1Å; M138-L141 HydrophobicContact CE-CD2 3.71Å; M138-L141 HydrophobicContact SD-CD2 3.89Å; M138-L142 WeakPolarHBondContact O-CB 3.3Å; M138-L142 PolarHBondContact O-N 3.37Å
139	K	95.6	Very high	94.4	Very high	164 Å²	164	57.6 Å²	57.6	71%	0.713	28%	0.281	S	S	*	.	H	α-helix	trans	-72	-46.4	173.8	-63.7	-179.3	-179.8	178.4	0	111.2	N137 L142 N143	N137-K139 PolarHBondContact O-N 2.8Å; N137-K139 WeakPolarHBondContact OD1-CB 3.45Å; N137-K139 PolarHBondContact OD1-N 2.87Å; N137-K139 VanDerWaalsContact OD1-N 3.09Å; K139-L142 PolarHBondContact O-N 3.22Å; K139-N143 PolarHBondContact O-N 3.05Å
140	T	96.5	Very high	95.2	Very high	34 Å²	34	56.8 Å²	56.8	21%	0.209	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-44.5	175.2	-52.5	0	0	0	0	110.8	K119 L120 N137 L142 N143 E144	K119-T140 WeakPolarHBondContact O-CG2 3.37Å; K119-T140 PolarHBondContact O-OG1 2.84Å; L120-T140 HydrophobicContact CD1-CG2 4.47Å; N137-T140 VanDerWaalsContact CG-OG1 3.23Å; N137-T140 PolarHBondContact ND2-OG1 2.88Å; N137-T140 PolarHBondContact O-N 3.45Å; N137-T140 VanDerWaalsContact O-N 3.1Å; N137-T140 PolarHBondContact OD1-N 2.89Å; N137-T140 PolarHBondContact OD1-OG1 2.86Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 PolarHBondContact O-N 3.47Å; T140-N143 PolarHBondContact O-N 3.45Å; T140-E144 HydrophobicContact CG2-CG 4.35Å; T140-E144 WeakPolarHBondContact O-CG 3.23Å; T140-E144 PolarHBondContact O-N 2.88Å
141	L	97	Very high	95.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-47	176.8	176.7	62.5	0	0	0	111.4	F84 L101 L120 F136 N137 M138 N143 E144 L145 L160	F84-L141 HydrophobicContact CE1-CD1 4.26Å; F84-L141 HydrophobicContact CE1-CD2 3.77Å; F84-L141 HydrophobicContact CE2-CD1 3.93Å; F84-L141 HydrophobicContact CZ-CD1 3.75Å; F84-L141 HydrophobicContact CZ-CD2 3.82Å; F84-L141 HydrophobicContact CZ-CG 4.42Å; L101-L141 HydrophobicContact CD2-CD2 4.49Å; L120-L141 HydrophobicContact CD1-CB 3.74Å; L120-L141 HydrophobicContact CD1-CD1 3.98Å; L120-L141 HydrophobicContact CD1-CG 4.46Å; F136-L141 HydrophobicContact CD1-CD1 4.42Å; F136-L141 HydrophobicContact CD1-CD2 4.19Å; N137-L141 WeakPolarHBondContact O-CB 3.46Å; N137-L141 PolarHBondContact O-N 3.03Å; M138-L141 HydrophobicContact CE-CD2 3.71Å; M138-L141 HydrophobicContact SD-CD2 3.89Å; L141-N143 VanDerWaalsContact C-N 3.33Å; L141-N143 PolarHBondContact O-N 2.69Å; L141-E144 PolarHBondContact O-N 3.13Å; L141-L145 HydrophobicContact CD1-CD1 4.03Å; L141-L145 HydrophobicContact CD1-CD2 4.42Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CG-CD1 4.02Å; L141-L145 HydrophobicContact CG-CG 4.35Å; L141-L145 VanDerWaalsContact O-CG 3.27Å; L141-L145 WeakPolarHBondContact O-CG 3.11Å; L141-L145 PolarHBondContact O-N 3.14Å; L141-L160 HydrophobicContact CD1-CD1 3.37Å
142	L	96.9	Very high	95.7	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-47	177	174.1	59.3	0	0	0	111.6	L89 L92 K93 A96 M138 K139 T140 L145 Q146	L89-L142 HydrophobicContact CD1-CD1 3.78Å; L92-L142 HydrophobicContact CB-CD1 3.94Å; K93-L142 HydrophobicContact CG-CD1 3.86Å; A96-L142 HydrophobicContact CB-CD2 4.44Å; M138-L142 WeakPolarHBondContact O-CB 3.3Å; M138-L142 PolarHBondContact O-N 3.37Å; K139-L142 PolarHBondContact O-N 3.22Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 PolarHBondContact O-N 3.47Å; L142-L145 PolarHBondContact O-N 3.34Å; L142-Q146 HydrophobicContact CD1-CG 4.17Å; L142-Q146 WeakPolarHBondContact O-CG 3.46Å; L142-Q146 PolarHBondContact O-N 3.42Å
143	N	96.5	Very high	95.4	Very high	89 Å²	89	63.3 Å²	63.3	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-47.3	178.8	-67.9	-18.2	0	0	0	111.9	K139 T140 L141 L145 Q146 E147	K139-N143 PolarHBondContact O-N 3.05Å; T140-N143 PolarHBondContact O-N 3.45Å; L141-N143 VanDerWaalsContact C-N 3.33Å; L141-N143 PolarHBondContact O-N 2.69Å; N143-L145 VanDerWaalsContact C-N 3.35Å; N143-L145 PolarHBondContact O-N 2.86Å; N143-Q146 WeakPolarHBondContact O-CB 3.41Å; N143-Q146 PolarHBondContact O-N 3.23Å; N143-Q146 VanDerWaalsContact O-N 3.17Å; N143-E147 PolarHBondContact O-N 3Å
144	E	96.1	Very high	95.3	Very high	54 Å²	54	65.4 Å²	65.4	25%	0.252	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-44.5	177.5	-68.9	-74.2	169	0	0	111.5	T140 L141 Q146 E147 H148	T140-E144 HydrophobicContact CG2-CG 4.35Å; T140-E144 WeakPolarHBondContact O-CG 3.23Å; T140-E144 PolarHBondContact O-N 2.88Å; L141-E144 PolarHBondContact O-N 3.13Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 3.33Å; E144-E147 PolarHBondContact O-N 2.84Å; E144-H148 WeakPolarHBondContact O-CB 3.37Å; E144-H148 PolarHBondContact O-CD2 2.96Å; E144-H148 PolarHBondContact O-N 3.37Å
145	L	96.2	Very high	95.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.3	-36.1	177	-66.2	178.9	0	0	0	112.1	F84 L89 L92 L141 L142 N143 H148 A149 Y158 L160	F84-L145 HydrophobicContact CB-CD1 4.4Å; F84-L145 HydrophobicContact CB-CD2 4.1Å; F84-L145 HydrophobicContact CD1-CD1 4.23Å; F84-L145 HydrophobicContact CD2-CD2 4.04Å; F84-L145 HydrophobicContact CG-CD1 4.2Å; F84-L145 HydrophobicContact CG-CD2 4.11Å; L89-L145 HydrophobicContact CD1-CB 3.89Å; L92-L145 HydrophobicContact CD1-CD1 3.76Å; L141-L145 HydrophobicContact CD1-CD1 4.03Å; L141-L145 HydrophobicContact CD1-CD2 4.42Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CG-CD1 4.02Å; L141-L145 HydrophobicContact CG-CG 4.35Å; L141-L145 VanDerWaalsContact O-CG 3.27Å; L141-L145 WeakPolarHBondContact O-CG 3.11Å; L141-L145 PolarHBondContact O-N 3.14Å; L142-L145 PolarHBondContact O-N 3.34Å; N143-L145 VanDerWaalsContact C-N 3.35Å; N143-L145 PolarHBondContact O-N 2.86Å; L145-H148 PolarHBondContact O-N 3.36Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.28Å; L145-Y158 HydrophobicContact CD2-CD2 3.98Å; L145-Y158 HydrophobicContact CD2-CG 4.16Å; L145-L160 HydrophobicContact CD2-CD1 3.97Å; L145-L160 HydrophobicContact CD2-CG 4.43Å
146	Q	95.9	Very high	94.9	Very high	69 Å²	69	65.9 Å²	65.9	32%	0.322	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-43.9	173.4	-71.9	-178.9	-87.7	0	0	111.7	L89 L142 N143 E144 A149 C150	L89-Q146 HydrophobicContact CD1-CG 3.78Å; L142-Q146 HydrophobicContact CD1-CG 4.17Å; L142-Q146 WeakPolarHBondContact O-CG 3.46Å; L142-Q146 PolarHBondContact O-N 3.42Å; N143-Q146 WeakPolarHBondContact O-CB 3.41Å; N143-Q146 PolarHBondContact O-N 3.23Å; N143-Q146 VanDerWaalsContact O-N 3.17Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 3.33Å; Q146-A149 PolarHBondContact O-N 2.82Å; Q146-C150 PolarHBondContact O-N 2.96Å; Q146-C150 PolarHBondContact O-SG 3.22Å
147	E	95.8	Very high	94.8	Very high	112 Å²	112	70 Å²	70	52%	0.523	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-37.8	176.9	-70.7	-175.7	-174.1	0	0	112.4	N143 E144 C150 R151	N143-E147 PolarHBondContact O-N 3Å; E144-E147 PolarHBondContact O-N 2.84Å; E147-C150 PolarHBondContact O-N 2.68Å; E147-R151 WeakPolarHBondContact O-CG 3.45Å; E147-R151 PolarHBondContact O-N 3.11Å; E147-R151 PolarHBondContact O-NE 2.84Å
148	H	94.3	Very high	94.8	Very high	39 Å²	39	67 Å²	67	18%	0.181	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-44.8	171.5	-85.8	-127.4	0	0	0	111.7	E144 L145 C150 R151 T152 Y158 N159	E144-H148 WeakPolarHBondContact O-CB 3.37Å; E144-H148 PolarHBondContact O-CD2 2.96Å; E144-H148 PolarHBondContact O-N 3.37Å; L145-H148 PolarHBondContact O-N 3.36Å; H148-C150 VanDerWaalsContact C-N 3.33Å; H148-C150 PolarHBondContact O-N 2.89Å; H148-R151 PolarHBondContact CD2-NH2 3.09Å; H148-R151 PolarHBondContact NE2-NH2 2.96Å; H148-R151 VanDerWaalsContact NE2-NH2 3.15Å; H148-R151 PolarHBondContact O-N 2.88Å; H148-R151 VanDerWaalsContact O-N 3.14Å; H148-T152 PolarHBondContact O-N 2.8Å; H148-T152 PolarHBondContact O-OG1 2.96Å; H148-Y158 HydrophobicContact CB-CD1 3.97Å; H148-Y158 HydrophobicContact CB-CG 4.29Å; H148-N159 PolarHBondContact CE1-O 2.84Å
149	A	94.7	Very high	94.8	Very high	15 Å²	15	70.2 Å²	70.2	12%	0.124	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-38	178	0	0	0	0	0	112.4	L89 L145 Q146 R151 T152 P153 Y158	L89-A149 HydrophobicContact CD2-CB 3.74Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.28Å; Q146-A149 PolarHBondContact O-N 2.82Å; A149-R151 VanDerWaalsContact C-N 3.32Å; A149-R151 PolarHBondContact O-N 3.25Å; A149-T152 CarbonylContact O-C 3.59Å; A149-T152 PolarHBondContact O-N 3.18Å; A149-P153 WeakPolarHBondContact O-CA 3.41Å; A149-P153 WeakPolarHBondContact O-CG 3.37Å; A149-Y158 HydrophobicContact CB-CE1 4.09Å; A149-Y158 HydrophobicContact CB-CE2 4.31Å; A149-Y158 VanDerWaalsContact CB-OH 3.29Å; A149-Y158 WeakPolarHBondContact CB-OH 3.1Å
150	C	94.7	Very high	94.8	Very high	106 Å²	106	63 Å²	63	72%	0.716	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-36.5	174.5	-70.2	0	0	0	0	112.5	Q146 E147 H148	Q146-C150 PolarHBondContact O-N 2.96Å; Q146-C150 PolarHBondContact O-SG 3.22Å; E147-C150 PolarHBondContact O-N 2.68Å; H148-C150 VanDerWaalsContact C-N 3.33Å; H148-C150 PolarHBondContact O-N 2.89Å
151	R	94.7	Very high	94.8	Very high	162 Å²	162	65.3 Å²	65.3	61%	0.611	35%	0.347	S	S	*	.	H	α-helix	trans	-78.7	-32.8	179	-71.3	-179	-77.1	173.1	-5.7	113	E147 H148 A149	E147-R151 WeakPolarHBondContact O-CG 3.45Å; E147-R151 PolarHBondContact O-N 3.11Å; E147-R151 PolarHBondContact O-NE 2.84Å; H148-R151 PolarHBondContact CD2-NH2 3.09Å; H148-R151 PolarHBondContact NE2-NH2 2.96Å; H148-R151 VanDerWaalsContact NE2-NH2 3.15Å; H148-R151 PolarHBondContact O-N 2.88Å; H148-R151 VanDerWaalsContact O-N 3.14Å; A149-R151 VanDerWaalsContact C-N 3.32Å; A149-R151 PolarHBondContact O-N 3.25Å
152	T	92.5	Very high	94.8	Very high	65 Å²	65	65.4 Å²	65.4	40%	0.399	35%	0.348	S	S	.	.			trans	-135.4	68.9	-174.6	54.4	0	0	0	0	111.9	H148 A149 V154 A155	H148-T152 PolarHBondContact O-N 2.8Å; H148-T152 PolarHBondContact O-OG1 2.96Å; A149-T152 CarbonylContact O-C 3.59Å; A149-T152 PolarHBondContact O-N 3.18Å; T152-V154 PolarHBondContact O-N 3.02Å; T152-V154 VanDerWaalsContact O-N 3.13Å; T152-A155 WeakPolarHBondContact O-CB 3.4Å; T152-A155 PolarHBondContact O-N 3.13Å; T152-A155 VanDerWaalsContact O-N 3.12Å
153	P	89.2	Confident	94.8	Very high	99 Å²	99	64.4 Å²	64.4	64%	0.643	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27	-168	-23.8	34.7	0	0	0	115	A149	A149-P153 WeakPolarHBondContact O-CA 3.41Å; A149-P153 WeakPolarHBondContact O-CG 3.37Å
154	V	90.8	Very high	94.9	Very high	144 Å²	144	67.5 Å²	67.5	87%	0.873	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	4.5	-177.5	-62	0	0	0	0	113.3	T152	T152-V154 PolarHBondContact O-N 3.02Å; T152-V154 VanDerWaalsContact O-N 3.13Å
155	A	92.6	Very high	94.9	Very high	22 Å²	22	65.4 Å²	65.4	18%	0.182	34%	0.337	C	S	.	.			trans	-68.8	131.4	-179.5	0	0	0	0	0	110.9	S86 T152 Y157 Y158	S86-A155 VanDerWaalsContact CB-O 3.26Å; S86-A155 WeakPolarHBondContact CB-O 3.42Å; S86-A155 PolarHBondContact OG-O 3.08Å; T152-A155 WeakPolarHBondContact O-CB 3.4Å; T152-A155 PolarHBondContact O-N 3.13Å; T152-A155 VanDerWaalsContact O-N 3.12Å; A155-Y157 PolarHBondContact O-N 3.03Å; A155-Y158 HydrophobicContact CB-CE1 4.3Å
156	P	93.1	Very high	94.9	Very high	77 Å²	77	67.2 Å²	67.2	50%	0.5	35%	0.346	S	S	.	.	S	Bend	trans	-70.6	-24.2	175.7	27.2	-32.9	0	0	0	112.2	S86	S86-P156 PolarHBondContact N-O 3.16Å; S86-P156 PolarHBondContact OG-O 3.41Å
157	Y	95.6	Very high	94.8	Very high	96 Å²	96	64.8 Å²	64.8	38%	0.376	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.8	-178.5	-58.6	-79.3	0	0	0	111.9	F84 P85 A155	F84-Y157 CarbonylContact O-C 3.48Å; F84-Y157 VanDerWaalsContact O-CA 3.26Å; F84-Y157 WeakPolarHBondContact O-CA 3.21Å; P85-Y157 HydrophobicContact CB-CD1 4.23Å; P85-Y157 HydrophobicContact CB-CE1 4.09Å; A155-Y157 PolarHBondContact O-N 3.03Å
158	Y	95.6	Very high	94.5	Very high	12 Å²	12	63.2 Å²	63.2	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.8	169.9	-54.5	-51.7	0	0	0	109.4	S83 F84 L145 H148 A149 A155	S83-Y158 WeakPolarHBondContact CA-O 3.37Å; F84-Y158 PolarHBondContact N-O 3.24Å; F84-Y158 PolarHBondContact O-N 2.9Å; L145-Y158 HydrophobicContact CD2-CD2 3.98Å; L145-Y158 HydrophobicContact CD2-CG 4.16Å; H148-Y158 HydrophobicContact CB-CD1 3.97Å; H148-Y158 HydrophobicContact CB-CG 4.29Å; A149-Y158 HydrophobicContact CB-CE1 4.09Å; A149-Y158 HydrophobicContact CB-CE2 4.31Å; A149-Y158 VanDerWaalsContact CB-OH 3.29Å; A149-Y158 WeakPolarHBondContact CB-OH 3.1Å; A155-Y158 HydrophobicContact CB-CE1 4.3Å
159	N	95.9	Very high	94.1	Very high	91 Å²	91	62.8 Å²	62.8	49%	0.487	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.2	-177.8	-58.2	-37.7	0	0	0	110	T81 S83 H148	T81-N159 HydrophobicContact CG2-CB 3.86Å; S83-N159 VanDerWaalsContact CB-OD1 3.29Å; S83-N159 WeakPolarHBondContact CB-OD1 3.35Å; S83-N159 PolarHBondContact OG-OD1 3.45Å; H148-N159 PolarHBondContact CE1-O 2.84Å
160	L	96.2	Very high	93.1	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.8	176.9	-61.4	-179.7	0	0	0	109.2	T81 V82 F84 L120 L141 L145 V162	T81-L160 CarbonylContact C-O 3.54Å; T81-L160 WeakPolarHBondContact CA-O 3.29Å; V82-L160 PolarHBondContact N-O 2.9Å; V82-L160 PolarHBondContact O-N 3.11Å; F84-L160 HydrophobicContact CD2-CD1 4.18Å; F84-L160 HydrophobicContact CE2-CD1 3.86Å; F84-L160 HydrophobicContact CE2-CG 4.45Å; L120-L160 HydrophobicContact CD2-CD1 4.25Å; L141-L160 HydrophobicContact CD1-CD1 3.37Å; L145-L160 HydrophobicContact CD2-CD1 3.97Å; L145-L160 HydrophobicContact CD2-CG 4.43Å; L160-V162 HydrophobicContact CB-CG1 4.29Å; L160-V162 WeakPolarHBondContact O-CG1 3.26Å; L160-V162 PolarHBondContact O-N 3.02Å
161	E	96.7	Very high	91.8	Very high	84 Å²	84	67.7 Å²	67.7	39%	0.393	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.3	167.7	-170.6	-174.8	100.2	0	0	108.5	R164	E161-R164 IonicContact OE1-CZ 3.15Å; E161-R164 IonicContact OE1-NE 2.68Å; E161-R164 PolarHBondContact OE1-NE 3.09Å; E161-R164 IonicContact OE1-NH2 3.6Å; E161-R164 PolarHBondContact OE1-NH2 3.49Å; E161-R164 IonicContact OE2-NE 3.9Å; E161-R164 IonicContact OE2-NH2 2.62Å
162	V	97	Very high	90.2	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-21.2	-171.6	-57.7	0	0	0	0	112.9	V80 V82 Y116 N117 L120 M121 F136 L160	V80-V162 HydrophobicContact CB-CG2 4.14Å; V80-V162 HydrophobicContact CG1-CG2 4.03Å; V80-V162 PolarHBondContact O-N 3.25Å; V82-V162 HydrophobicContact CB-CG1 4.11Å; V82-V162 HydrophobicContact CG2-CB 4.36Å; V82-V162 HydrophobicContact CG2-CG1 3.72Å; V82-V162 HydrophobicContact CG2-CG2 3.68Å; Y116-V162 WeakPolarHBondContact CA-O 3.46Å; N117-V162 PolarHBondContact N-O 2.99Å; L120-V162 HydrophobicContact CD2-CG1 4.04Å; M121-V162 HydrophobicContact CE-CB 3.7Å; M121-V162 HydrophobicContact CE-CG2 4.28Å; M121-V162 WeakPolarHBondContact CE-O 3.28Å; M121-V162 HydrophobicContact SD-CB 4.16Å; F136-V162 HydrophobicContact CE1-CG1 4.07Å; F136-V162 HydrophobicContact CZ-CB 4.49Å; F136-V162 HydrophobicContact CZ-CG1 3.92Å; L160-V162 HydrophobicContact CB-CG1 4.29Å; L160-V162 WeakPolarHBondContact O-CG1 3.26Å; L160-V162 PolarHBondContact O-N 3.02Å
163	M	97	Very high	88.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	147.8	-173.1	-173.2	-179.2	-74.1	0	0	112.2	S79 V80 F103 L105 V114 V115 Y134	S79-M163 CarbonylContact C-O 3.47Å; S79-M163 WeakPolarHBondContact CA-O 3.45Å; V80-M163 HydrophobicContact CB-CB 4.15Å; V80-M163 HydrophobicContact CG2-CB 4.27Å; V80-M163 PolarHBondContact N-O 3.42Å; F103-M163 HydrophobicContact CE1-CE 4.26Å; L105-M163 HydrophobicContact CD1-SD 4.35Å; L105-M163 HydrophobicContact CD2-CE 4.38Å; L105-M163 HydrophobicContact CD2-SD 3.72Å; L105-M163 HydrophobicContact CG-SD 4.48Å; V114-M163 HydrophobicContact CG1-CE 3.89Å; V114-M163 HydrophobicContact CG1-CG 3.74Å; V114-M163 HydrophobicContact CG1-SD 3.51Å; V114-M163 VanDerWaalsContact CG1-SD 3.51Å; V115-M163 CarbonylContact O-C 3.52Å; V115-M163 VanDerWaalsContact O-CA 3.3Å; V115-M163 WeakPolarHBondContact O-CA 3.43Å; V115-M163 WeakPolarHBondContact O-CG 3.39Å; Y134-M163 HydrophobicContact CD1-CE 4.48Å; Y134-M163 HydrophobicContact CD2-CE 3.82Å; Y134-M163 HydrophobicContact CE1-CE 4.1Å; Y134-M163 HydrophobicContact CE2-CE 3.39Å; Y134-M163 HydrophobicContact CG-CE 4.34Å
164	R	97.7	Very high	87.3	Confident	155 Å²	155	64.8 Å²	64.8	59%	0.585	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.8	163.8	-64.8	-177.2	-175.7	170.9	1.3	109.7	G78 V115 E161	G78-R164 CarbonylContact O-C 3.54Å; G78-R164 VanDerWaalsContact O-CA 3.26Å; G78-R164 WeakPolarHBondContact O-CA 3.38Å; V115-R164 PolarHBondContact N-O 2.88Å; V115-R164 PolarHBondContact O-N 2.89Å; V115-R164 VanDerWaalsContact O-O 3.08Å; E161-R164 IonicContact OE1-CZ 3.15Å; E161-R164 IonicContact OE1-NE 2.68Å; E161-R164 PolarHBondContact OE1-NE 3.09Å; E161-R164 IonicContact OE1-NH2 3.6Å; E161-R164 PolarHBondContact OE1-NH2 3.49Å; E161-R164 IonicContact OE2-NE 3.9Å; E161-R164 IonicContact OE2-NH2 2.62Å
165	Y	97.3	Very high	85.9	Confident	10 Å²	10	61 Å²	61	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.4	177.6	58.9	-91.8	0	0	0	111.4	I58 E60 F77 G78 V80 M111 S113 V167	I58-Y165 HydrophobicContact CG2-CE1 4.42Å; I58-Y165 WeakPolarHBondContact CG2-OH 3.3Å; E60-Y165 HydrophobicContact CG-CE2 4.36Å; E60-Y165 WeakPolarHBondContact CG-OH 3.4Å; E60-Y165 PolarHBondContact OE1-OH 2.6Å; F77-Y165 WeakPolarHBondContact CA-O 3.49Å; G78-Y165 PolarHBondContact N-O 2.82Å; G78-Y165 PolarHBondContact O-N 2.77Å; V80-Y165 HydrophobicContact CG2-CD1 4.37Å; V80-Y165 HydrophobicContact CG2-CE1 3.94Å; M111-Y165 HydrophobicContact CE-CD2 4.01Å; M111-Y165 HydrophobicContact CE-CE2 4.08Å; M111-Y165 HydrophobicContact SD-CD2 3.37Å; M111-Y165 WeakPolarHBondContact SD-CD2 3.34Å; M111-Y165 HydrophobicContact SD-CE2 4Å; M111-Y165 HydrophobicContact SD-CG 3.91Å; S113-Y165 WeakPolarHBondContact O-CA 2.99Å; S113-Y165 WeakPolarHBondContact O-CB 3.27Å; Y165-V167 HydrophobicContact CD2-CG2 4.04Å; Y165-V167 HydrophobicContact CE2-CG2 3.9Å
166	E	96.7	Very high	84.4	Confident	38 Å²	38	62.2 Å²	62.2	18%	0.178	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	168.1	-177.8	174.5	-161.1	0	0	107.2	V76 F77 M111 H112 S113	V76-E166 WeakPolarHBondContact O-CA 3.22Å; F77-E166 HydrophobicContact CD1-CB 4Å; F77-E166 HydrophobicContact CD1-CG 4.03Å; F77-E166 HydrophobicContact CE1-CB 4.03Å; F77-E166 HydrophobicContact CE1-CG 3.7Å; F77-E166 HydrophobicContact CZ-CG 4.47Å; M111-E166 CarbonylContact C-O 3.56Å; M111-E166 WeakPolarHBondContact CA-O 3.21Å; H112-E166 HydrophobicContact CB-CB 4.25Å; H112-E166 HydrophobicContact CB-CG 4.11Å; H112-E166 IonicContact CD2-OE2 3.35Å; H112-E166 PolarHBondContact CD2-OE2 3.37Å; H112-E166 PolarHBondContact N-O 2.78Å; S113-E166 PolarHBondContact N-O 3.34Å; S113-E166 PolarHBondContact O-N 2.87Å
167	V	93.6	Very high	83.5	Confident	17 Å²	17	59 Å²	59	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.1	177.4	-172.4	0	0	0	0	108.6	V76 R110 M111 Y165 T169	V76-V167 HydrophobicContact CB-CB 3.95Å; V76-V167 HydrophobicContact CB-CG2 3.86Å; V76-V167 HydrophobicContact CG1-CB 4.47Å; V76-V167 HydrophobicContact CG1-CG2 3.84Å; V76-V167 PolarHBondContact O-N 2.9Å; R110-V167 CarbonylContact O-C 3.58Å; R110-V167 VanDerWaalsContact O-CG1 3.3Å; R110-V167 WeakPolarHBondContact O-CG1 3.45Å; M111-V167 HydrophobicContact SD-CG2 4.16Å; Y165-V167 HydrophobicContact CD2-CG2 4.04Å; Y165-V167 HydrophobicContact CE2-CG2 3.9Å; V167-T169 PolarHBondContact O-N 3.35Å
168	Q	89.5	Confident	82.8	Confident	80 Å²	80	60.1 Å²	60.1	37%	0.374	31%	0.312	S	S	.	.			trans	-66.3	116.2	171.1	-176.2	66.6	28.6	0	0	109	R110 H112 E170	R110-Q168 WeakPolarHBondContact O-CB 3.4Å; R110-Q168 PolarHBondContact O-N 3.07Å; H112-Q168 HydrophobicContact CB-CB 4.48Å; H112-Q168 PolarHBondContact ND1-OE1 2.83Å; Q168-E170 PolarHBondContact NE2-OE1 3.1Å
169	T	85.3	Confident	82.3	Confident	29 Å²	29	61.7 Å²	61.7	18%	0.178	32%	0.32	C	S	.	.			trans	-114.7	130.4	174.2	52.5	0	0	0	0	108.4	V74 V76 V167 M179	V74-T169 HydrophobicContact CB-CG2 4.41Å; V74-T169 HydrophobicContact CG1-CG2 4.35Å; V74-T169 PolarHBondContact O-OG1 2.84Å; V76-T169 HydrophobicContact CG2-CG2 4.27Å; V167-T169 PolarHBondContact O-N 3.35Å; T169-M179 HydrophobicContact CG2-CB 4.42Å; T169-M179 HydrophobicContact CG2-CG 4.14Å
170	E	74.5	Confident	82.1	Confident	127 Å²	127	57.3 Å²	57.3	59%	0.593	30%	0.297	S	S	*	.			trans	-98.4	126.7	174.2	-67.2	-58.4	148.2	0	0	109.1	Q168 S172	Q168-E170 PolarHBondContact NE2-OE1 3.1Å; E170-S172 PolarHBondContact O-N 2.9Å; E170-S172 VanDerWaalsContact O-N 3.09Å
171	P	66.1	Low	81.9	Confident	98 Å²	98	58 Å²	58	64%	0.636	30%	0.302	S	S	*	.			trans	-57.4	119.1	173.8	-18.9	29.4	0	0	0	109.7
172	S	60.9	Low	81.8	Confident	28 Å²	28	55.6 Å²	55.6	20%	0.196	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-92.8	110.7	176.9	49.7	0	0	0	0	109.5	E170 N174 V175 D177	E170-S172 PolarHBondContact O-N 2.9Å; E170-S172 VanDerWaalsContact O-N 3.09Å; S172-N174 PolarHBondContact O-N 2.88Å; S172-V175 WeakPolarHBondContact CB-O 3.45Å; S172-V175 PolarHBondContact OG-O 3.24Å; S172-D177 VanDerWaalsContact OG-CA 3.28Å; S172-D177 WeakPolarHBondContact OG-CA 3.22Å; S172-D177 PolarHBondContact OG-N 3.03Å; S172-D177 VanDerWaalsContact OG-N 3.09Å
173	V	61.3	Low	81.5	Confident	105 Å²	105	57.5 Å²	57.5	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	123.4	174.4	-178.4	0	0	0	0	108.6	V175	V173-V175 PolarHBondContact O-N 2.77Å; V173-V175 VanDerWaalsContact O-N 3.1Å
174	N	59.5	Low	81.3	Confident	131 Å²	131	60.3 Å²	60.3	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	15.4	-180	-57.8	-45.4	0	0	0	116.1	S172	S172-N174 PolarHBondContact O-N 2.88Å
175	V	61.7	Low	81	Confident	66 Å²	66	58 Å²	58	40%	0.4	31%	0.312	S	S	.	.	S	Bend	trans	-133.2	139.6	173.3	-176.9	0	0	0	0	107.3	S172 V173 D177	S172-V175 WeakPolarHBondContact CB-O 3.45Å; S172-V175 PolarHBondContact OG-O 3.24Å; V173-V175 PolarHBondContact O-N 2.77Å; V173-V175 VanDerWaalsContact O-N 3.1Å; V175-D177 PolarHBondContact O-N 2.73Å
176	P	61.8	Low	80.6	Confident	47 Å²	47	60 Å²	60	31%	0.305	34%	0.336	S	S	.	.			trans	-63.5	135.5	173.9	-16.2	29	0	0	0	110.7	Q178 L183 Q206	P176-Q178 PolarHBondContact O-N 2.92Å; P176-L183 HydrophobicContact CB-CD1 3.75Å; P176-L183 HydrophobicContact CB-CD2 3.53Å; P176-L183 HydrophobicContact CB-CG 4.29Å; P176-L183 HydrophobicContact CG-CD1 3.65Å; P176-L183 HydrophobicContact CG-CD2 4.34Å; P176-Q206 PolarHBondContact O-OE1 3.18Å
177	D	73.2	Confident	80.3	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.053	34%	0.341	C	S	.	.			trans	-61	132.6	177.1	-170.1	-35.7	0	0	0	108.9	V74 S172 V175 M179 A180 N204	V74-D177 HydrophobicContact CB-CB 4.31Å; V74-D177 WeakPolarHBondContact CB-OD2 3.09Å; V74-D177 HydrophobicContact CG2-CB 3.55Å; S172-D177 VanDerWaalsContact OG-CA 3.28Å; S172-D177 WeakPolarHBondContact OG-CA 3.22Å; S172-D177 PolarHBondContact OG-N 3.03Å; S172-D177 VanDerWaalsContact OG-N 3.09Å; V175-D177 PolarHBondContact O-N 2.73Å; D177-M179 PolarHBondContact O-N 2.86Å; D177-M179 WeakPolarHBondContact OD1-CB 3.27Å; D177-M179 PolarHBondContact OD1-N 3.35Å; D177-A180 PolarHBondContact O-N 2.84Å; D177-A180 VanDerWaalsContact O-N 3.1Å; D177-N204 PolarHBondContact O-ND2 3.1Å
178	Q	80.8	Confident	80.2	Confident	119 Å²	119	65.2 Å²	65.2	56%	0.556	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.5	179.2	-59.5	179.2	20.7	0	0	111.7	P176 Q206 C207	P176-Q178 PolarHBondContact O-N 2.92Å; Q178-Q206 HydrophobicContact CG-CB 4.2Å; Q178-C207 WeakPolarHBondContact O-CA 3.46Å; Q178-C207 WeakPolarHBondContact O-CB 3.39Å; Q178-C207 PolarHBondContact O-SG 2.82Å; Q178-C207 VanDerWaalsContact O-SG 3.37Å
179	M	85.7	Confident	80.2	Confident	44 Å²	44	66.1 Å²	66.1	22%	0.217	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.1	-179.8	-60.9	-61.4	112.7	0	0	113.8	V74 V76 T169 D177 P181	V74-M179 HydrophobicContact CB-CB 4.45Å; V74-M179 HydrophobicContact CG1-CB 3.79Å; V76-M179 HydrophobicContact CG2-CB 4Å; V76-M179 HydrophobicContact CG2-CG 4.47Å; T169-M179 HydrophobicContact CG2-CB 4.42Å; T169-M179 HydrophobicContact CG2-CG 4.14Å; D177-M179 PolarHBondContact O-N 2.86Å; D177-M179 WeakPolarHBondContact OD1-CB 3.27Å; D177-M179 PolarHBondContact OD1-N 3.35Å; M179-P181 VanDerWaalsContact O-CD 3.27Å; M179-P181 WeakPolarHBondContact O-CD 3.43Å
180	A	91.1	Very high	80.5	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.39	C	S	.	.			trans	-83.6	112.5	176	0	0	0	0	0	110.8	A64 F66 V74 D177 L183 N204	A64-A180 HydrophobicContact CB-CB 4.47Å; F66-A180 HydrophobicContact CZ-CB 4.16Å; V74-A180 HydrophobicContact CG2-CB 3.83Å; D177-A180 PolarHBondContact O-N 2.84Å; D177-A180 VanDerWaalsContact O-N 3.1Å; A180-L183 HydrophobicContact CB-CD2 4.3Å; A180-N204 WeakPolarHBondContact O-CB 3.03Å; A180-N204 PolarHBondContact O-ND2 3.49Å
181	P	92.8	Very high	81.2	Confident	25 Å²	25	75.1 Å²	75.1	16%	0.162	40%	0.395	C	S	.	.	S	Bend	trans	-76.6	-25	-176.6	31	-36.4	0	0	0	113.5	M179 N204 L209 L213	M179-P181 VanDerWaalsContact O-CD 3.27Å; M179-P181 WeakPolarHBondContact O-CD 3.43Å; P181-N204 PolarHBondContact O-N 3.2Å; P181-L209 HydrophobicContact CB-CD2 3.85Å; P181-L213 HydrophobicContact CB-CD1 4.23Å; P181-L213 HydrophobicContact CB-CD2 4.1Å; P181-L213 HydrophobicContact CG-CD2 4.34Å
182	L	93.5	Very high	82.3	Confident	34 Å²	34	76.3 Å²	76.3	18%	0.178	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.2	178.7	-173.2	69.1	0	0	0	109	F66 L184 Y201 L213 V216 F218	F66-L182 WeakPolarHBondContact CZ-O 3.42Å; L182-L184 HydrophobicContact CD2-CD2 3.85Å; L182-L184 HydrophobicContact CG-CD2 3.95Å; L182-Y201 HydrophobicContact CD1-CD2 4.31Å; L182-L213 HydrophobicContact CB-CD1 3.73Å; L182-L213 HydrophobicContact CD1-CD1 4.16Å; L182-L213 HydrophobicContact CG-CD1 4.42Å; L182-V216 HydrophobicContact CD2-CG1 3.99Å; L182-F218 HydrophobicContact CD2-CE1 4.37Å; L182-F218 HydrophobicContact CD2-CZ 4.38Å
183	L	91.4	Very high	83.7	Confident	42 Å²	42	82 Å²	82	22%	0.22	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.1	174.9	-54.6	-174.9	0	0	0	109.6	F66 P176 A180 Y201 G202 N204	F66-L183 HydrophobicContact CE1-CD2 4.07Å; P176-L183 HydrophobicContact CB-CD1 3.75Å; P176-L183 HydrophobicContact CB-CD2 3.53Å; P176-L183 HydrophobicContact CB-CG 4.29Å; P176-L183 HydrophobicContact CG-CD1 3.65Å; P176-L183 HydrophobicContact CG-CD2 4.34Å; A180-L183 HydrophobicContact CB-CD2 4.3Å; L183-Y201 VanDerWaalsContact O-CA 3.22Å; L183-Y201 WeakPolarHBondContact O-CA 3.47Å; L183-G202 PolarHBondContact N-O 3.02Å; L183-G202 PolarHBondContact O-N 2.85Å; L183-N204 HydrophobicContact CD1-CB 4.25Å; L183-N204 HydrophobicContact CD2-CB 3.85Å; L183-N204 HydrophobicContact CG-CB 3.82Å
184	L	92.5	Very high	85.1	Confident	61 Å²	61	82.6 Å²	82.6	32%	0.319	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.8	-178.1	-58.7	178.1	0	0	0	111.2	F66 L182 R200 F218	F66-L184 HydrophobicContact CD2-CB 3.75Å; F66-L184 HydrophobicContact CD2-CD1 4.09Å; F66-L184 HydrophobicContact CD2-CG 4.14Å; F66-L184 HydrophobicContact CE2-CB 4.03Å; F66-L184 HydrophobicContact CE2-CD1 4.01Å; F66-L184 HydrophobicContact CE2-CG 3.97Å; F66-L184 HydrophobicContact CG-CB 4.02Å; L182-L184 HydrophobicContact CD2-CD2 3.85Å; L182-L184 HydrophobicContact CG-CD2 3.95Å; L184-R200 WeakPolarHBondContact CA-O 3.42Å; L184-F218 HydrophobicContact CD2-CE1 3.67Å
185	Q	91.3	Very high	86.6	Confident	108 Å²	108	79.9 Å²	79.9	51%	0.505	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	109.5	167.9	-175.1	-177.9	40.7	0	0	108.9	R200	Q185-R200 HydrophobicContact CB-CB 4.31Å; Q185-R200 PolarHBondContact N-O 2.85Å; Q185-R200 PolarHBondContact O-N 2.93Å
186	G	90.4	Very high	88	Confident	52 Å²	52	82.4 Å²	82.4	54%	0.536	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.5	173.5	0	0	0	0	0	111.6	S198	G186-S198 CarbonylContact C-O 3.55Å; G186-S198 WeakPolarHBondContact CA-O 3.45Å
187	S	90	Very high	89.3	Confident	43 Å²	43	83 Å²	83	30%	0.301	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.4	169.2	65.2	0	0	0	0	110.4	S198	S187-S198 PolarHBondContact N-O 2.84Å; S187-S198 PolarHBondContact O-N 2.92Å; S187-S198 WeakPolarHBondContact OG-CB 3.45Å
188	W	91.2	Very high	90.1	Very high	121 Å²	121	84 Å²	84	46%	0.458	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.4	178	-169.1	-67.2	0	0	0	109.2	V195 L197 V222	W188-V195 HydrophobicContact CD2-CG1 4.07Å; W188-V195 HydrophobicContact CG-CG1 4.48Å; W188-V195 HydrophobicContact CH2-CG1 4.29Å; W188-V195 HydrophobicContact CZ2-CG1 3.48Å; W188-V195 VanDerWaalsContact CZ2-CG1 3.48Å; W188-V195 HydrophobicContact CZ2-CG2 4.44Å; W188-V195 VanDerWaalsContact NE1-CG1 3.33Å; W188-L197 HydrophobicContact CE3-CD1 3.71Å; W188-L197 HydrophobicContact CZ3-CD1 4.18Å; W188-V222 HydrophobicContact CH2-CB 4.4Å; W188-V222 HydrophobicContact CH2-CG1 4.14Å; W188-V222 HydrophobicContact CH2-CG2 4.1Å
189	N	90.1	Very high	90.6	Very high	98 Å²	98	81.4 Å²	81.4	52%	0.524	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.3	-179.6	-64.3	-47	0	0	0	109.4	H196	N189-H196 PolarHBondContact N-O 3.35Å; N189-H196 PolarHBondContact O-N 3Å
190	R	90.8	Very high	90.9	Very high	186 Å²	186	86.9 Å²	86.9	70%	0.702	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	131	171.5	-177.3	179	176.2	158.1	0.9	109.6	D192 N194 V195	R190-D192 PolarHBondContact NE-O 3.09Å; R190-D192 PolarHBondContact NH2-O 2.8Å; R190-N194 WeakPolarHBondContact CA-O 3.39Å; R190-V195 HydrophobicContact CG-CG2 4.41Å
191	K	90.1	Very high	91	Very high	159 Å²	159	94.3 Å²	94.3	69%	0.691	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	113.4	170.1	-173.9	179.9	177.6	-174.9	0	108.6	D193 N194	K191-D193 PolarHBondContact O-N 3.46Å; K191-N194 PolarHBondContact N-O 3.09Å; K191-N194 WeakPolarHBondContact O-CA 3.1Å; K191-N194 WeakPolarHBondContact O-CB 3.28Å; K191-N194 PolarHBondContact O-N 2.58Å
192	D	89	Confident	90.9	Very high	123 Å²	123	94.6 Å²	94.6	66%	0.658	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	-120.3	-175.2	-49.7	-48.1	0	0	0	111.2	R190	R190-D192 PolarHBondContact NE-O 3.09Å; R190-D192 PolarHBondContact NH2-O 2.8Å
193	D	90	Very high	90.8	Very high	149 Å²	149	98 Å²	98	80%	0.797	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	4.2	176.6	-65	-34.4	0	0	0	113.4	K191	K191-D193 PolarHBondContact O-N 3.46Å
194	N	90	Very high	90.7	Very high	116 Å²	116	96.1 Å²	96.1	62%	0.62	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.4	-179.4	-61.4	-77.5	0	0	0	111.6	R190 K191	R190-N194 WeakPolarHBondContact CA-O 3.39Å; K191-N194 PolarHBondContact N-O 3.09Å; K191-N194 WeakPolarHBondContact O-CA 3.1Å; K191-N194 WeakPolarHBondContact O-CB 3.28Å; K191-N194 PolarHBondContact O-N 2.58Å
195	V	90.8	Very high	90.5	Very high	74 Å²	74	98.4 Å²	98.4	45%	0.448	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.2	172.4	169.8	0	0	0	0	108.5	W188 R190	W188-V195 HydrophobicContact CD2-CG1 4.07Å; W188-V195 HydrophobicContact CG-CG1 4.48Å; W188-V195 HydrophobicContact CH2-CG1 4.29Å; W188-V195 HydrophobicContact CZ2-CG1 3.48Å; W188-V195 VanDerWaalsContact CZ2-CG1 3.48Å; W188-V195 HydrophobicContact CZ2-CG2 4.44Å; W188-V195 VanDerWaalsContact NE1-CG1 3.33Å; R190-V195 HydrophobicContact CG-CG2 4.41Å
196	H	90.7	Very high	90.2	Very high	119 Å²	119	97.8 Å²	97.8	55%	0.551	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.4	172.1	-170.6	74.6	0	0	0	109.7	N189	N189-H196 PolarHBondContact N-O 3.35Å; N189-H196 PolarHBondContact O-N 3Å
197	L	91	Very high	90	Very high	60 Å²	60	96.1 Å²	96.1	31%	0.314	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.6	172	178.6	67.8	0	0	0	109.1	W188 T220	W188-L197 HydrophobicContact CE3-CD1 3.71Å; W188-L197 HydrophobicContact CZ3-CD1 4.18Å; L197-T220 HydrophobicContact CD2-CG2 3.35Å
198	S	89.6	Confident	89.6	Confident	32 Å²	32	98.5 Å²	98.5	22%	0.224	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.7	171.6	159	0	0	0	0	109.6	G186 S187	G186-S198 CarbonylContact C-O 3.55Å; G186-S198 WeakPolarHBondContact CA-O 3.45Å; S187-S198 PolarHBondContact N-O 2.84Å; S187-S198 PolarHBondContact O-N 2.92Å; S187-S198 WeakPolarHBondContact OG-CB 3.45Å
199	I	91.4	Very high	89.2	Confident	63 Å²	63	96 Å²	96	32%	0.323	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.7	173.1	-58.5	173.7	0	0	0	107.1	F218	I199-F218 HydrophobicContact CD1-CB 4.16Å; I199-F218 HydrophobicContact CD1-CD1 4.4Å; I199-F218 HydrophobicContact CG2-CD1 3.98Å; I199-F218 HydrophobicContact CG2-CE1 4.07Å
200	R	91	Very high	88.6	Confident	160 Å²	160	97.4 Å²	97.4	60%	0.604	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	134.4	167.7	-63.2	-179.4	-177.9	142.7	-0.4	108.2	L184 Q185	L184-R200 WeakPolarHBondContact CA-O 3.42Å; Q185-R200 HydrophobicContact CB-CB 4.31Å; Q185-R200 PolarHBondContact N-O 2.85Å; Q185-R200 PolarHBondContact O-N 2.93Å
201	Y	92.7	Very high	88.5	Confident	156 Å²	156	91.9 Å²	91.9	61%	0.612	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.6	178.2	63.8	-90.9	0	0	0	110.8	L182 L183 F218	L182-Y201 HydrophobicContact CD1-CD2 4.31Å; L183-Y201 VanDerWaalsContact O-CA 3.22Å; L183-Y201 WeakPolarHBondContact O-CA 3.47Å; Y201-F218 HydrophobicContact CD1-CE1 4.28Å; Y201-F218 AromaticContact CD1-CE2 3.94Å; Y201-F218 HydrophobicContact CD1-CE2 3.94Å; Y201-F218 AromaticContact CD1-CZ 3.53Å; Y201-F218 HydrophobicContact CD1-CZ 3.53Å; Y201-F218 HydrophobicContact CD2-CZ 4.18Å; Y201-F218 HydrophobicContact CE1-CE2 4Å; Y201-F218 HydrophobicContact CE1-CZ 4.06Å; Y201-F218 HydrophobicContact CG-CE1 4.34Å; Y201-F218 HydrophobicContact CG-CE2 4.35Å; Y201-F218 AromaticContact CG-CZ 3.6Å; Y201-F218 HydrophobicContact CG-CZ 3.6Å
202	G	90.6	Very high	88.5	Confident	30 Å²	30	89.5 Å²	89.5	31%	0.309	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	146.5	177.1	0	0	0	0	0	111.5	L183	L183-G202 PolarHBondContact N-O 3.02Å; L183-G202 PolarHBondContact O-N 2.85Å
203	Y	91.4	Very high	88.7	Confident	106 Å²	106	86.7 Å²	86.7	42%	0.416	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	137.4	172	-175.3	-98.8	0	0	0	110.2	P205 L209	Y203-P205 VanDerWaalsContact O-CD 3.23Å; Y203-P205 WeakPolarHBondContact O-CD 3.44Å; Y203-L209 PolarHBondContact OH-O 2.94Å
204	N	90.8	Very high	89	Confident	2 Å²	2	84.5 Å²	84.5	1%	0.011	46%	0.463	C	S	.	.			trans	-84.8	108.2	174.8	-174.3	-0	0	0	0	110.6	D177 A180 P181 L183 Q206 C207	D177-N204 PolarHBondContact O-ND2 3.1Å; A180-N204 WeakPolarHBondContact O-CB 3.03Å; A180-N204 PolarHBondContact O-ND2 3.49Å; P181-N204 PolarHBondContact O-N 3.2Å; L183-N204 HydrophobicContact CD1-CB 4.25Å; L183-N204 HydrophobicContact CD2-CB 3.85Å; L183-N204 HydrophobicContact CG-CB 3.82Å; N204-Q206 PolarHBondContact O-N 3.3Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.49Å; N204-Q206 PolarHBondContact OD1-N 3.18Å; N204-C207 HydrophobicContact CB-CB 4.07Å; N204-C207 WeakPolarHBondContact O-CB 3.47Å; N204-C207 PolarHBondContact O-N 3.44Å; N204-C207 VanDerWaalsContact O-N 3.09Å
205	P	87.1	Confident	89.2	Confident	110 Å²	110	86.4 Å²	86.4	71%	0.714	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.9	-179.6	31.1	-36.9	0	0	0	113.3	Y203 C207	Y203-P205 VanDerWaalsContact O-CD 3.23Å; Y203-P205 WeakPolarHBondContact O-CD 3.44Å; P205-C207 VanDerWaalsContact C-N 3.31Å
206	Q	85.5	Confident	89.3	Confident	94 Å²	94	86 Å²	86	44%	0.439	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-10	177.1	-58.2	-177.8	-30.5	0	0	112.3	P176 Q178 N204	P176-Q206 PolarHBondContact O-OE1 3.18Å; Q178-Q206 HydrophobicContact CG-CB 4.2Å; N204-Q206 PolarHBondContact O-N 3.3Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.49Å; N204-Q206 PolarHBondContact OD1-N 3.18Å
207	C	86.6	Confident	89.5	Confident	17 Å²	17	85.7 Å²	85.7	12%	0.115	48%	0.477	C	S	.	.	S	Bend	trans	-74.7	131.2	176.9	-168.8	0	0	0	0	111.5	Q178 N204 P205 L209	Q178-C207 WeakPolarHBondContact O-CA 3.46Å; Q178-C207 WeakPolarHBondContact O-CB 3.39Å; Q178-C207 PolarHBondContact O-SG 2.82Å; Q178-C207 VanDerWaalsContact O-SG 3.37Å; N204-C207 HydrophobicContact CB-CB 4.07Å; N204-C207 WeakPolarHBondContact O-CB 3.47Å; N204-C207 PolarHBondContact O-N 3.44Å; N204-C207 VanDerWaalsContact O-N 3.09Å; P205-C207 VanDerWaalsContact C-N 3.31Å; C207-L209 PolarHBondContact O-N 2.88Å; C207-L209 VanDerWaalsContact O-N 3.14Å
208	C	81.1	Confident	89.5	Confident	93 Å²	93	86.7 Å²	86.7	63%	0.628	48%	0.479	S	S	*	.			trans	-73.2	2.1	179.1	62.9	0	0	0	0	113.6	C210	C208-C210 PolarHBondContact O-N 2.81Å
209	L	83.9	Confident	89.6	Confident	68 Å²	68	92.1 Å²	92.1	36%	0.356	50%	0.503	S	S	.	.			trans	-64.9	130.2	172.7	-170.9	65.4	0	0	0	109.2	P181 Y203 C207 L213	P181-L209 HydrophobicContact CB-CD2 3.85Å; Y203-L209 PolarHBondContact OH-O 2.94Å; C207-L209 PolarHBondContact O-N 2.88Å; C207-L209 VanDerWaalsContact O-N 3.14Å; L209-L213 HydrophobicContact CD2-CD2 3.73Å
210	C	77.2	Confident	89.4	Confident	128 Å²	128	92 Å²	92	87%	0.865	51%	0.506	S	S	*	.			trans	-107	13.6	-179.5	-68.6	0	0	0	0	112.8	C208	C208-C210 PolarHBondContact O-N 2.81Å
211	S	87.5	Confident	89.2	Confident	70 Å²	70	91.2 Å²	91.2	49%	0.49	51%	0.514	S	S	.	.	S	Bend	trans	-123.7	146	-170.2	-61.1	0	0	0	0	111.2
212	P	91.5	Very high	88.9	Confident	109 Å²	109	86 Å²	86	71%	0.708	50%	0.498	S	S	*	.			trans	-64.9	144.9	176.2	28.1	-34.6	0	0	0	111.1	T214	P212-T214 PolarHBondContact O-N 3.01Å
213	L	93.7	Very high	88.6	Confident	64 Å²	64	90.3 Å²	90.3	34%	0.335	52%	0.522	S	S	.	.			trans	-79.8	115.2	168.8	-60.2	179.5	0	0	0	109	P181 L182 L209 V216	P181-L213 HydrophobicContact CB-CD1 4.23Å; P181-L213 HydrophobicContact CB-CD2 4.1Å; P181-L213 HydrophobicContact CG-CD2 4.34Å; L182-L213 HydrophobicContact CB-CD1 3.73Å; L182-L213 HydrophobicContact CD1-CD1 4.16Å; L182-L213 HydrophobicContact CG-CD1 4.42Å; L209-L213 HydrophobicContact CD2-CD2 3.73Å; L213-V216 HydrophobicContact CB-CG2 3.85Å
214	T	95.3	Very high	88.3	Confident	103 Å²	103	88.3 Å²	88.3	63%	0.632	53%	0.533	S	S	*	.			trans	-104.9	155.3	178.1	57.6	0	0	0	0	110.7	P212 V216	P212-T214 PolarHBondContact O-N 3.01Å; T214-V216 VanDerWaalsContact C-N 3.3Å; T214-V216 PolarHBondContact O-N 3.27Å
215	N	94.7	Very high	88.1	Confident	156 Å²	156	95.8 Å²	95.8	83%	0.834	57%	0.574	S	S	*	*	S	Bend	trans	56.8	40.4	177.1	-52.1	-34.4	0	0	0	113.2	V217	N215-V217 PolarHBondContact O-N 3.41Å
216	V	93.4	Very high	88.2	Confident	67 Å²	67	94.2 Å²	94.2	41%	0.406	56%	0.561	S	S	.	*			trans	-72.5	119.3	176.2	-178	0	0	0	0	109	L182 L213 T214 F218	L182-V216 HydrophobicContact CD2-CG1 3.99Å; L213-V216 HydrophobicContact CB-CG2 3.85Å; T214-V216 VanDerWaalsContact C-N 3.3Å; T214-V216 PolarHBondContact O-N 3.27Å; V216-F218 HydrophobicContact CG1-CE1 4.4Å; V216-F218 HydrophobicContact CG1-CE2 3.83Å; V216-F218 HydrophobicContact CG1-CZ 3.73Å
217	V	93	Very high	88.4	Confident	111 Å²	111	99.1 Å²	99.1	67%	0.673	58%	0.584	S	S	*	*			trans	-123	133.6	177.9	-176	0	0	0	0	108.8	N215 I219	N215-V217 PolarHBondContact O-N 3.41Å; V217-I219 HydrophobicContact CG1-CD1 4.22Å; V217-I219 HydrophobicContact CG1-CG1 3.83Å
218	F	91.6	Very high	88.4	Confident	82 Å²	82	101.1 Å²	101.1	36%	0.36	61%	0.608	S	S	.	*			trans	-103.2	125.5	172.4	-58.8	-81.6	0	0	0	108.7	L182 L184 I199 Y201 V216	L182-F218 HydrophobicContact CD2-CE1 4.37Å; L182-F218 HydrophobicContact CD2-CZ 4.38Å; L184-F218 HydrophobicContact CD2-CE1 3.67Å; I199-F218 HydrophobicContact CD1-CB 4.16Å; I199-F218 HydrophobicContact CD1-CD1 4.4Å; I199-F218 HydrophobicContact CG2-CD1 3.98Å; I199-F218 HydrophobicContact CG2-CE1 4.07Å; Y201-F218 HydrophobicContact CD1-CE1 4.28Å; Y201-F218 AromaticContact CD1-CE2 3.94Å; Y201-F218 HydrophobicContact CD1-CE2 3.94Å; Y201-F218 AromaticContact CD1-CZ 3.53Å; Y201-F218 HydrophobicContact CD1-CZ 3.53Å; Y201-F218 HydrophobicContact CD2-CZ 4.18Å; Y201-F218 HydrophobicContact CE1-CE2 4Å; Y201-F218 HydrophobicContact CE1-CZ 4.06Å; Y201-F218 HydrophobicContact CG-CE1 4.34Å; Y201-F218 HydrophobicContact CG-CE2 4.35Å; Y201-F218 AromaticContact CG-CZ 3.6Å; Y201-F218 HydrophobicContact CG-CZ 3.6Å; V216-F218 HydrophobicContact CG1-CE1 4.4Å; V216-F218 HydrophobicContact CG1-CE2 3.83Å; V216-F218 HydrophobicContact CG1-CZ 3.73Å
219	I	91.2	Very high	88.7	Confident	145 Å²	145	99.8 Å²	99.8	74%	0.744	60%	0.597	S	S	*	*			trans	-126	134.8	179	-55	177	0	0	0	107.5	V217	V217-I219 HydrophobicContact CG1-CD1 4.22Å; V217-I219 HydrophobicContact CG1-CG1 3.83Å
220	T	88.1	Confident	88.8	Confident	62 Å²	62	105.8 Å²	105.8	38%	0.38	62%	0.623	S	S	.	*			trans	-142.7	135.7	176.4	-174.7	0	0	0	0	108.8	L197 V222	L197-T220 HydrophobicContact CD2-CG2 3.35Å; T220-V222 HydrophobicContact CG2-CG2 4.33Å
221	D	87.3	Confident	89	Confident	143 Å²	143	102.5 Å²	102.5	77%	0.765	60%	0.601	S	S	*	*			trans	-83.3	130.4	171	-64.2	-32.7	0	0	0	108.7
222	V	86.2	Confident	88.5	Confident	47 Å²	47	107.6 Å²	107.6	29%	0.285	62%	0.623	S	S	.	*			trans	-112.4	113	174.3	-177	0	0	0	0	108.7	W188 T220 V226 W237	W188-V222 HydrophobicContact CH2-CB 4.4Å; W188-V222 HydrophobicContact CH2-CG1 4.14Å; W188-V222 HydrophobicContact CH2-CG2 4.1Å; T220-V222 HydrophobicContact CG2-CG2 4.33Å; V222-V226 HydrophobicContact CG1-CG2 3.75Å; V222-W237 HydrophobicContact CB-CZ3 4.29Å; V222-W237 HydrophobicContact CG2-CH2 3.92Å; V222-W237 HydrophobicContact CG2-CZ3 3.82Å
223	C	84.4	Confident	87.6	Confident	120 Å²	120	106.3 Å²	106.3	81%	0.811	62%	0.616	S	S	*	*			trans	-87.1	145.1	178	-64.1	0	0	0	0	111.5
224	G	83.8	Confident	86.4	Confident	63 Å²	63	111.9 Å²	111.9	65%	0.649	65%	0.646	S	S	*	*	S	Bend	trans	121.5	175.3	175.9	0	0	0	0	0	112.8	V226	G224-V226 PolarHBondContact O-N 2.91Å
225	N	87.1	Confident	85.3	Confident	160 Å²	160	111.1 Å²	111.1	86%	0.856	64%	0.637	S	S	*	*			trans	-82.1	73.2	174.6	-70.6	-12.7	0	0	0	109.4	Q227	N225-Q227 PolarHBondContact O-N 2.87Å
226	V	88.9	Confident	84.1	Confident	76 Å²	76	109.2 Å²	109.2	46%	0.461	64%	0.636	S	S	.	*			trans	-63.4	115.6	178.5	-178.6	0	0	0	0	109	V222 G224 V229	V222-V226 HydrophobicContact CG1-CG2 3.75Å; G224-V226 PolarHBondContact O-N 2.91Å; V226-V229 HydrophobicContact CG1-CG2 3.54Å
227	Q	89.4	Confident	82.9	Confident	197 Å²	197	115.1 Å²	115.1	92%	0.921	65%	0.651	S	S	*	*			trans	-94.4	-16.7	-178.5	-64.3	-173.1	0.2	0	0	113.3	N225	N225-Q227 PolarHBondContact O-N 2.87Å
228	G	86.9	Confident	82.4	Confident	60 Å²	60	115.4 Å²	115.4	62%	0.619	65%	0.65	S	S	*	*			trans	-173.6	158.4	-179.7	0	0	0	0	0	110.4
229	V	88.2	Confident	81.9	Confident	65 Å²	65	117.1 Å²	117.1	39%	0.394	67%	0.665	S	S	.	*			trans	-142.9	139.6	176.7	-161.1	0	0	0	0	112.7	V226 W237	V226-V229 HydrophobicContact CG1-CG2 3.54Å; V229-W237 HydrophobicContact CB-CD2 4.01Å; V229-W237 HydrophobicContact CB-CG 4.38Å; V229-W237 HydrophobicContact CB-CH2 4.48Å; V229-W237 HydrophobicContact CB-CZ2 3.73Å; V229-W237 HydrophobicContact CG1-CD2 4.18Å; V229-W237 HydrophobicContact CG1-CH2 3.78Å; V229-W237 HydrophobicContact CG1-CZ2 2.94Å; V229-W237 HydrophobicContact CG2-CD2 3.61Å; V229-W237 VanDerWaalsContact CG2-CE2 3.43Å; V229-W237 HydrophobicContact CG2-CE3 3.96Å; V229-W237 HydrophobicContact CG2-CG 4.17Å; V229-W237 HydrophobicContact CG2-CH2 4.09Å; V229-W237 HydrophobicContact CG2-CZ2 3.79Å; V229-W237 HydrophobicContact CG2-CZ3 4.15Å
230	E	85.8	Confident	81.4	Confident	193 Å²	193	115.6 Å²	115.6	90%	0.902	66%	0.661	S	S	*	*			trans	-113.2	132.8	175.6	-61.1	179.7	173.1	0	0	109
231	C	81.5	Confident	81	Confident	60 Å²	60	118.7 Å²	118.7	41%	0.405	68%	0.677	S	S	.	*			trans	-139.4	146.1	178	-171.2	0	0	0	0	110.3	S233 M235	C231-S233 VanDerWaalsContact C-N 3.3Å; C231-S233 PolarHBondContact SG-OG 3.03Å; C231-M235 HydrophobicContact CB-CB 4.42Å; C231-M235 HydrophobicContact CB-CE 3.54Å; C231-M235 HydrophobicContact CB-SD 4.41Å
232	N	76.4	Confident	80.6	Confident	177 Å²	177	117.2 Å²	117.2	95%	0.947	67%	0.672	S	S	*	*	S	Bend	trans	-84	-3.4	-178.9	-67.6	-24.6	0	0	0	113.4
233	S	73.4	Confident	80.2	Confident	81 Å²	81	121.9 Å²	121.9	57%	0.566	70%	0.698	S	S	*	*	S	Bend	trans	-139.8	161.6	-173.9	53.9	0	0	0	0	111.6	C231 M235	C231-S233 VanDerWaalsContact C-N 3.3Å; C231-S233 PolarHBondContact SG-OG 3.03Å; S233-M235 PolarHBondContact O-N 3.46Å
234	D	68.5	Low	79.9	Confident	181 Å²	181	122 Å²	122	97%	0.968	69%	0.69	S	S	*	*			trans	-60.1	96.5	174	-62.5	-33.7	0	0	0	110.3
235	M	71.6	Confident	79.7	Confident	88 Å²	88	126.5 Å²	126.5	43%	0.433	69%	0.693	S	S	.	*			trans	-126.5	141.5	-177.5	-175	177.9	70.8	0	0	109.4	C231 S233 W237	C231-M235 HydrophobicContact CB-CB 4.42Å; C231-M235 HydrophobicContact CB-CE 3.54Å; C231-M235 HydrophobicContact CB-SD 4.41Å; S233-M235 PolarHBondContact O-N 3.46Å; M235-W237 HydrophobicContact CE-CD2 4.05Å; M235-W237 HydrophobicContact CE-CG 4.26Å; M235-W237 HydrophobicContact CE-CH2 4.46Å; M235-W237 HydrophobicContact CE-CZ2 3.28Å; M235-W237 HydrophobicContact SD-CZ2 4.35Å
236	S	69.5	Low	79	Confident	116 Å²	116	123.8 Å²	123.8	81%	0.811	68%	0.679	S	S	*	*			trans	-94.5	126.4	169.2	55.9	0	0	0	0	109.8
237	W	68.4	Low	78.1	Confident	191 Å²	191	128.1 Å²	128.1	72%	0.723	70%	0.699	S	S	*	*			trans	-92.1	0	166.2	-78.9	99.5	0	0	0	111	V222 V229 M235	V222-W237 HydrophobicContact CB-CZ3 4.29Å; V222-W237 HydrophobicContact CG2-CH2 3.92Å; V222-W237 HydrophobicContact CG2-CZ3 3.82Å; V229-W237 HydrophobicContact CB-CD2 4.01Å; V229-W237 HydrophobicContact CB-CG 4.38Å; V229-W237 HydrophobicContact CB-CH2 4.48Å; V229-W237 HydrophobicContact CB-CZ2 3.73Å; V229-W237 HydrophobicContact CG1-CD2 4.18Å; V229-W237 HydrophobicContact CG1-CH2 3.78Å; V229-W237 HydrophobicContact CG1-CZ2 2.94Å; V229-W237 HydrophobicContact CG2-CD2 3.61Å; V229-W237 VanDerWaalsContact CG2-CE2 3.43Å; V229-W237 HydrophobicContact CG2-CE3 3.96Å; V229-W237 HydrophobicContact CG2-CG 4.17Å; V229-W237 HydrophobicContact CG2-CH2 4.09Å; V229-W237 HydrophobicContact CG2-CZ2 3.79Å; V229-W237 HydrophobicContact CG2-CZ3 4.15Å; M235-W237 HydrophobicContact CE-CD2 4.05Å; M235-W237 HydrophobicContact CE-CG 4.26Å; M235-W237 HydrophobicContact CE-CH2 4.46Å; M235-W237 HydrophobicContact CE-CZ2 3.28Å; M235-W237 HydrophobicContact SD-CZ2 4.35Å

Retrieved 237 of 237 residues in 109.3 ms (Link to these results)

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