A0A077ZCG3_TRITR Loading...

Transmembrane protease serine 6

AlphaFold DB , UniProt , Accession A0A077ZCG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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	37.1	Very low	41	Very low	240 Å²	240	189.5 Å²	189.5	100%	1.182	87%	0.871	S	S	*	*				0	60.5	0	-166.1	171.5	76.9	0	0	107.5
2	E	38.1	Very low	41.7	Very low	181 Å²	181	179.8 Å²	179.8	85%	0.846	84%	0.84	S	S	*	*			trans	-153.8	78.2	-163.6	-76.3	-175.1	136.4	0	0	109
3	L	37.3	Very low	41.9	Very low	179 Å²	179	178.2 Å²	178.2	94%	0.937	83%	0.833	S	S	*	*			trans	-155.4	23.4	171.3	-108.9	128.1	0	0	0	113.4
4	R	41.2	Very low	42.1	Very low	246 Å²	246	174.3 Å²	174.3	93%	0.928	82%	0.819	S	S	*	*			trans	-107.6	13.6	-178	-89.7	-169.7	176.8	-171.7	0.3	116
5	I	45.9	Very low	42.2	Very low	165 Å²	165	174.3 Å²	174.3	85%	0.846	82%	0.815	S	S	*	*	S	Bend	trans	-128	64	-179.2	-47.6	177.1	0	0	0	110.6
6	R	40.4	Very low	42.2	Very low	234 Å²	234	172.5 Å²	172.5	88%	0.883	81%	0.812	S	S	*	*	S	Bend	trans	-144.1	4.2	161.3	-81.2	-156.5	175.4	-175.6	-1.1	115.9
7	F	41	Very low	41.8	Very low	194 Å²	194	170.8 Å²	170.8	85%	0.851	81%	0.808	S	S	*	*	S	Bend	trans	-100.6	2.8	-178.6	-98.9	-83.8	0	0	0	116.2
8	I	43.5	Very low	41.6	Very low	156 Å²	156	170 Å²	170	80%	0.8	81%	0.809	S	S	*	*	S	Bend	trans	-101	-4.5	-175.6	-66.4	176.7	0	0	0	114.1
9	L	42.4	Very low	41.3	Very low	149 Å²	149	169.2 Å²	169.2	78%	0.78	81%	0.809	S	S	*	*	S	Bend	trans	-107.3	12.3	-175.5	-72.6	172	0	0	0	116.6
10	L	42.5	Very low	41	Very low	142 Å²	142	165.8 Å²	165.8	74%	0.743	80%	0.804	S	S	*	*	S	Bend	trans	-111.5	-1.7	177.4	-93.2	142.4	0	0	0	115.4
11	Y	42.1	Very low	40.7	Very low	199 Å²	199	162.3 Å²	162.3	78%	0.78	80%	0.802	S	S	*	*	S	Bend	trans	-101.3	-5.9	177.2	-86.7	-83.3	0	0	0	115.1
12	S	49.1	Very low	40.6	Very low	72 Å²	72	159 Å²	159	50%	0.503	79%	0.788	S	S	.	*	S	Bend	trans	-91.4	-9.1	179.1	65.2	0	0	0	0	115
13	Q	44.6	Very low	40.5	Very low	159 Å²	159	155.7 Å²	155.7	74%	0.743	79%	0.785	S	S	*	*	S	Bend	trans	-99.2	-9.5	178.1	-76.2	-167.8	-18.4	0	0	115.1
14	I	45.1	Very low	40.4	Very low	124 Å²	124	155.5 Å²	155.5	64%	0.636	78%	0.779	S	S	*	*	S	Bend	trans	-86.1	-17.7	174.8	-66.9	174.2	0	0	0	111.9
15	F	43.7	Very low	40.1	Very low	175 Å²	175	148.8 Å²	148.8	77%	0.768	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-6.7	-178.3	-141.4	-97.3	0	0	0	114.8
16	L	41.7	Very low	39.5	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	2.2	-175.5	-94.9	137.8	0	0	0	115.3
17	L	35.9	Very low	39.2	Very low	144 Å²	144	142.4 Å²	142.4	75%	0.754	76%	0.758	S	S	*	*	S	Bend	trans	-113.3	11.3	179.5	-76.6	166.4	0	0	0	115.1
18	L	36.6	Very low	38.7	Very low	156 Å²	156	139.5 Å²	139.5	82%	0.817	75%	0.75	S	S	*	*	S	Bend	trans	-116.5	12.3	175.3	-79.9	166.4	0	0	0	114.8
19	L	36.8	Very low	38.1	Very low	155 Å²	155	138.7 Å²	138.7	81%	0.812	75%	0.747	S	S	*	*	S	Bend	trans	-116.3	14.4	178.8	-82.8	163.4	0	0	0	115.2
20	S	35.1	Very low	37.5	Very low	101 Å²	101	139 Å²	139	71%	0.706	75%	0.75	S	S	*	*	S	Bend	trans	-128.8	56.6	178.4	67.9	0	0	0	0	113.2
21	A	34.8	Very low	36.7	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	75%	0.754	S	S	*	*	S	Bend	trans	-169.5	94.5	157.7	0	0	0	0	0	108.2
22	L	35.8	Very low	36.1	Very low	171 Å²	171	141 Å²	141	90%	0.895	76%	0.76	S	S	*	*			trans	173.8	50.6	149.4	-89.4	170.4	0	0	0	108.7
23	S	35.6	Very low	35.1	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	76%	0.764	S	S	*	*			trans	-108.1	68.3	160.2	59.5	0	0	0	0	107.5
24	H	35.3	Very low	34.5	Very low	175 Å²	175	142.9 Å²	142.9	81%	0.81	77%	0.773	S	S	*	*			trans	-89.8	112.5	162.2	-82.1	68.7	0	0	0	107.4	V26	H24-V26 PolarHBondContact O-N 3.35Å
25	S	35.4	Very low	33.6	Very low	105 Å²	105	144 Å²	144	73%	0.734	78%	0.78	S	S	*	*			trans	-38.3	124.9	176.1	-39.5	0	0	0	0	112.4	I27	S25-I27 PolarHBondContact O-N 3.15Å
26	V	32.8	Very low	33	Very low	131 Å²	131	140.2 Å²	140.2	79%	0.794	78%	0.775	S	S	*	*			trans	-66.2	103	165.2	174.8	0	0	0	0	107.3	H24 I28	H24-V26 PolarHBondContact O-N 3.35Å; V26-I28 HydrophobicContact CG1-CG1 4.18Å; V26-I28 PolarHBondContact O-N 2.88Å
27	I	33	Very low	32.6	Very low	133 Å²	133	142.6 Å²	142.6	68%	0.682	78%	0.78	S	S	*	*			trans	-75.2	110.4	167.9	-63.4	175	0	0	0	106.4	S25 D29	S25-I27 PolarHBondContact O-N 3.15Å; I27-D29 VanDerWaalsContact C-N 3.34Å; I27-D29 PolarHBondContact O-N 3.16Å; I27-D29 VanDerWaalsContact O-N 3.17Å
28	I	31.3	Very low	32.5	Very low	133 Å²	133	141.3 Å²	141.3	68%	0.682	78%	0.778	S	S	*	*			trans	-81.8	85.6	172.9	-58.1	174.6	0	0	0	106.7	V26 N30	V26-I28 HydrophobicContact CG1-CG1 4.18Å; V26-I28 PolarHBondContact O-N 2.88Å; I28-N30 PolarHBondContact O-N 2.98Å
29	D	30.9	Very low	32.6	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	77%	0.767	S	S	*	*			trans	-78.1	101.5	167	-82.4	-27.9	0	0	0	109.1	I27 Y31	I27-D29 VanDerWaalsContact C-N 3.34Å; I27-D29 PolarHBondContact O-N 3.16Å; I27-D29 VanDerWaalsContact O-N 3.17Å; D29-Y31 VanDerWaalsContact C-N 3.31Å; D29-Y31 PolarHBondContact O-N 3.47Å
30	N	29.2	Very low	32.7	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	76%	0.756	S	S	*	*			trans	-65.1	89.6	162.8	-87.2	-44	0	0	0	108.8	I28	I28-N30 PolarHBondContact O-N 2.98Å
31	Y	26.6	Very low	33.1	Very low	211 Å²	211	137.8 Å²	137.8	83%	0.827	75%	0.747	S	S	*	*			trans	-117.3	105.6	167.5	-142	-96.4	0	0	0	111.4	D29 G33	D29-Y31 VanDerWaalsContact C-N 3.31Å; D29-Y31 PolarHBondContact O-N 3.47Å; Y31-G33 PolarHBondContact O-N 3.07Å; Y31-G33 VanDerWaalsContact O-N 3.16Å
32	N	28	Very low	33.8	Very low	171 Å²	171	136.6 Å²	136.6	91%	0.914	73%	0.733	S	S	*	*			trans	-55.4	107.6	164.3	-111.1	-25.9	0	0	0	109.3
33	G	28.7	Very low	34.8	Very low	56 Å²	56	135 Å²	135	58%	0.577	73%	0.725	S	S	*	*			trans	-174	97.9	176.8	0	0	0	0	0	111.2	Y31 N35	Y31-G33 PolarHBondContact O-N 3.07Å; Y31-G33 VanDerWaalsContact O-N 3.16Å; G33-N35 PolarHBondContact O-N 3.17Å
34	K	32.8	Very low	37.2	Very low	214 Å²	214	136.3 Å²	136.3	93%	0.93	71%	0.712	S	S	*	*			trans	-48.8	98.7	174	-67.6	173.2	176.4	174.6	0	110.6
35	N	26.6	Very low	40	Very low	147 Å²	147	129.9 Å²	129.9	79%	0.786	69%	0.687	S	S	*	*			trans	-137.3	95.9	167.9	-94	-20.8	0	0	0	110.6	G33 F37	G33-N35 PolarHBondContact O-N 3.17Å; N35-F37 PolarHBondContact O-N 3.35Å
36	S	31.1	Very low	42.8	Very low	96 Å²	96	125 Å²	125	67%	0.671	65%	0.653	S	S	*	*			trans	43.2	70	136.4	-155	0	0	0	0	117.7	T38	S36-T38 PolarHBondContact O-N 3.28Å; S36-T38 PolarHBondContact OG-OG1 3.23Å
37	F	33.2	Very low	45.6	Very low	195 Å²	195	122.1 Å²	122.1	86%	0.855	64%	0.636	S	S	*	*			trans	-86.2	53.5	156.6	-107.8	-88.9	0	0	0	110.4	N35	N35-F37 PolarHBondContact O-N 3.35Å
38	T	33.8	Very low	48.3	Very low	118 Å²	118	117.7 Å²	117.7	72%	0.724	61%	0.61	S	S	*	*			trans	-101.6	52.1	168.8	52.2	0	0	0	0	109.8	S36 N40	S36-T38 PolarHBondContact O-N 3.28Å; S36-T38 PolarHBondContact OG-OG1 3.23Å; T38-N40 PolarHBondContact O-N 3.1Å
39	T	37.7	Very low	50	Low	93 Å²	93	113 Å²	113	57%	0.571	59%	0.589	S	S	*	*			trans	-73.3	84.6	168	52	0	0	0	0	109.4	R41	T39-R41 VanDerWaalsContact C-N 3.35Å; T39-R41 PolarHBondContact O-N 3.19Å
40	N	38.6	Very low	51.2	Low	109 Å²	109	114.1 Å²	114.1	58%	0.583	59%	0.592	S	S	*	*			trans	31.8	57.5	151.9	-143.3	-4	0	0	0	115.5	T38 S42	T38-N40 PolarHBondContact O-N 3.1Å; N40-S42 PolarHBondContact O-N 2.96Å; N40-S42 PolarHBondContact OD1-OG 2.9Å
41	R	44.1	Very low	51.9	Low	136 Å²	136	114.2 Å²	114.2	51%	0.513	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-61	-20.6	175.2	-93.1	-172.1	-179.6	-164.1	2.7	112.3	T39 N43 R44	T39-R41 VanDerWaalsContact C-N 3.35Å; T39-R41 PolarHBondContact O-N 3.19Å; R41-N43 PolarHBondContact O-N 2.87Å; R41-R44 PolarHBondContact O-N 3.09Å; R41-R44 VanDerWaalsContact O-N 3.13Å
42	S	48.8	Very low	52.7	Low	67 Å²	67	107.2 Å²	107.2	47%	0.469	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-61	-18.5	-175.9	69.4	0	0	0	0	114.1	N40	N40-S42 PolarHBondContact O-N 2.96Å; N40-S42 PolarHBondContact OD1-OG 2.9Å
43	N	58	Low	53.3	Low	136 Å²	136	104.4 Å²	104.4	73%	0.727	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-98.8	1.5	179.9	-81.9	7.6	0	0	0	115.1	R41	R41-N43 PolarHBondContact O-N 2.87Å
44	R	84.8	Confident	53.9	Low	140 Å²	140	107.9 Å²	107.9	53%	0.528	56%	0.56	S	S	.	*			trans	-94.1	111.8	177.6	-75.4	-169.6	-87.2	-166.8	-8.3	110.5	R41	R41-R44 PolarHBondContact O-N 3.09Å; R41-R44 VanDerWaalsContact O-N 3.13Å
45	C	93.9	Very high	54.3	Low	41 Å²	41	102.4 Å²	102.4	28%	0.277	55%	0.549	S	S	.	.			trans	-86.5	163.8	170	65.3	0	0	0	0	111.7	V47 P170 C172	C45-V47 PolarHBondContact O-N 3.03Å; C45-P170 CarbonylContact C-O 3.57Å; C45-P170 WeakPolarHBondContact CA-O 3.39Å; C45-P170 HydrophobicContact CB-CB 4.36Å; C45-P170 HydrophobicContact CB-CG 3.9Å; C45-P170 WeakPolarHBondContact CB-O 3.44Å; C45-C172 HydrophobicContact CB-CB 4.1Å; C45-C172 WeakPolarHBondContact CB-SG 3.33Å; C45-C172 PolarHBondContact O-SG 3.07Å; C45-C172 WeakPolarHBondContact SG-CA 3.32Å; C45-C172 WeakPolarHBondContact SG-CB 3.24Å; C45-C172 CovalentContact SG-SG 2.04Å; C45-C172 PolarHBondContact SG-SG 3.14Å
46	G	95	Very high	55	Low	2 Å²	2	99.1 Å²	99.1	2%	0.021	54%	0.542	C	S	.	.	S	Bend	trans	72.8	25.7	164.9	0	0	0	0	0	115.2	P170 C172 W260	G46-P170 PolarHBondContact N-O 3.45Å; G46-C172 PolarHBondContact N-SG 2.88Å; G46-W260 VanDerWaalsContact CA-O 3.23Å; G46-W260 WeakPolarHBondContact CA-O 3.49Å; G46-W260 PolarHBondContact O-N 3.28Å
47	V	92.1	Very high	55.4	Low	70 Å²	70	99.6 Å²	99.6	42%	0.424	55%	0.545	S	S	.	.			trans	-109.9	118.8	179.2	-178.4	0	0	0	0	109.8	C45 P76	C45-V47 PolarHBondContact O-N 3.03Å; V47-P76 WeakPolarHBondContact O-CG 3.45Å
48	R	88.4	Confident	55.5	Low	40 Å²	40	95.1 Å²	95.1	15%	0.151	54%	0.538	C	S	.	.			trans	-81.8	134.6	163.3	-64.4	176	86.5	-167.7	5.8	108.2	M50 E73 A74 W77 E204 W260	R48-M50 PolarHBondContact O-N 3.34Å; R48-M50 VanDerWaalsContact O-N 3.14Å; R48-E73 CarbonylContact C-O 3.56Å; R48-E73 WeakPolarHBondContact CA-O 3.27Å; R48-A74 WeakPolarHBondContact CD-O 3.33Å; R48-A74 WeakPolarHBondContact CG-O 3.42Å; R48-A74 PolarHBondContact NE-O 2.62Å; R48-W77 HydrophobicContact CG-CH2 3.72Å; R48-W77 HydrophobicContact CG-CZ2 4.32Å; R48-E204 IonicContact NH2-OE1 3.14Å; R48-E204 PolarHBondContact NH2-OE1 3.29Å; R48-E204 IonicContact NH2-OE2 3.08Å; R48-E204 PolarHBondContact NH2-OE2 3.24Å; R48-W260 VanDerWaalsContact CD-NE1 3.28Å; R48-W260 HydrophobicContact CG-CD2 4.31Å; R48-W260 HydrophobicContact CG-CG 4.13Å
49	S	68.4	Low	55.6	Low	35 Å²	35	97.2 Å²	97.2	25%	0.245	54%	0.544	C	S	.	.			trans	-80.9	95.7	178.6	174.2	0	0	0	0	109.9	Q51 E73	S49-Q51 PolarHBondContact O-N 3.13Å; S49-E73 PolarHBondContact N-O 2.98Å; S49-E73 WeakPolarHBondContact O-CB 3.24Å
50	M	54.6	Low	55.5	Low	163 Å²	163	99.3 Å²	99.3	80%	0.803	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-67.2	-17	178.8	-78	-167.9	156.5	0	0	114.2	R48 T52 M53	R48-M50 PolarHBondContact O-N 3.34Å; R48-M50 VanDerWaalsContact O-N 3.14Å; M50-T52 PolarHBondContact O-N 2.64Å; M50-M53 PolarHBondContact O-N 2.87Å
51	Q	45.7	Very low	55.3	Low	158 Å²	158	103.2 Å²	103.2	74%	0.738	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-64.5	-12.3	-168.7	-79.8	-179.5	-18.4	0	0	115.1	S49	S49-Q51 PolarHBondContact O-N 3.13Å
52	T	42.1	Very low	54.8	Low	65 Å²	65	101.6 Å²	101.6	40%	0.399	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-113.9	0.9	-179.9	46.8	0	0	0	0	114.6	M50 T54 E73	M50-T52 PolarHBondContact O-N 2.64Å; T52-T54 PolarHBondContact O-N 3Å; T52-E73 WeakPolarHBondContact CB-OE1 3.29Å; T52-E73 WeakPolarHBondContact OG1-CG 3.48Å; T52-E73 PolarHBondContact OG1-OE1 3.42Å
53	M	41.9	Very low	54.1	Low	112 Å²	112	103.4 Å²	103.4	55%	0.552	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-6.1	-179	-66.5	-145.1	89.7	0	0	114.7	M50 S55	M50-M53 PolarHBondContact O-N 2.87Å; M53-S55 VanDerWaalsContact C-N 3.27Å; M53-S55 PolarHBondContact O-N 3.41Å
54	T	40.5	Very low	53.7	Low	128 Å²	128	97.3 Å²	97.3	79%	0.785	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-5	177.8	51.4	0	0	0	0	114.4	T52	T52-T54 PolarHBondContact O-N 3Å
55	S	40.6	Very low	52.1	Low	100 Å²	100	92.2 Å²	92.2	70%	0.699	51%	0.505	S	S	*	.	S	Bend	trans	-128.6	1.9	-170.9	-51.8	0	0	0	0	116.3	M53	M53-S55 VanDerWaalsContact C-N 3.27Å; M53-S55 PolarHBondContact O-N 3.41Å
56	A	42.1	Very low	50.5	Low	78 Å²	78	92.2 Å²	92.2	65%	0.645	51%	0.513	S	S	*	.			trans	-107.6	20.6	-170.8	0	0	0	0	0	115.5
57	S	39.3	Very low	49.4	Very low	105 Å²	105	92.3 Å²	92.3	73%	0.734	51%	0.513	S	S	*	.			trans	-84.2	-1.4	-173.7	57.6	0	0	0	0	116.4
58	S	36.2	Very low	49	Very low	102 Å²	102	91.5 Å²	91.5	71%	0.713	51%	0.508	S	S	*	.	S	Bend	trans	-108.2	5.6	-165.8	74.9	0	0	0	0	118.7
59	L	35.3	Very low	48.9	Very low	162 Å²	162	92.4 Å²	92.4	85%	0.848	52%	0.521	S	S	*	.			trans	-130.4	65.9	176.7	-70.9	169.2	0	0	0	112.3	R61	L59-R61 PolarHBondContact O-N 3.23Å
60	M	36.2	Very low	49.6	Very low	136 Å²	136	91.1 Å²	91.1	67%	0.67	51%	0.512	S	S	*	.			trans	-74.3	109.7	-179.4	-63.3	-72.7	-83.4	0	0	111.3	T68	M60-T68 HydrophobicContact CE-CG2 4.46Å
61	R	34.3	Very low	51.2	Low	191 Å²	191	84.8 Å²	84.8	72%	0.721	49%	0.486	S	S	*	.			trans	-138	88.5	162.1	-137.7	-179.6	-95.4	-173.1	-0.9	109.3	L59 R63	L59-R61 PolarHBondContact O-N 3.23Å; R61-R63 PolarHBondContact O-N 3.21Å
62	N	32.6	Very low	53	Low	102 Å²	102	78.3 Å²	78.3	55%	0.545	46%	0.456	S	S	.	.			trans	-43.7	121.3	-179	-76.7	-0.7	0	0	0	114.7	G67	N62-G67 WeakPolarHBondContact CA-O 3.4Å; N62-G67 WeakPolarHBondContact CB-O 3.42Å
63	R	34.2	Very low	55.1	Low	105 Å²	105	77 Å²	77	40%	0.396	45%	0.446	S	S	.	.			trans	-156.1	55.8	176.5	-68.3	-166.9	-135.9	-176.3	7.3	114.3	R61 G67 L192 Q203	R61-R63 PolarHBondContact O-N 3.21Å; R63-G67 PolarHBondContact N-O 3.03Å; R63-L192 HydrophobicContact CB-CD1 3.61Å; R63-L192 HydrophobicContact CB-CD2 3.57Å; R63-L192 HydrophobicContact CB-CG 4.12Å; R63-L192 HydrophobicContact CG-CD1 3.55Å; R63-L192 HydrophobicContact CG-CD2 4.45Å; R63-L192 WeakPolarHBondContact O-CD2 3.28Å; R63-Q203 VanDerWaalsContact CA-OE1 3.29Å; R63-Q203 HydrophobicContact CB-CG 4.44Å; R63-Q203 VanDerWaalsContact O-CB 3.29Å; R63-Q203 WeakPolarHBondContact O-CB 3.34Å; R63-Q203 WeakPolarHBondContact O-CG 3.38Å; R63-Q203 PolarHBondContact O-OE1 2.91Å
64	I	48.7	Very low	57.5	Low	8 Å²	8	71.9 Å²	71.9	4%	0.041	42%	0.421	C	S	.	.	B	Isolated β-bridge		-113.9	169.9	128.1	-74.5	-125.8	0	0	0	103.6	G66 G67 Q203 V205 D240	I64-G66 PolarHBondContact O-N 3.17Å; I64-G67 PolarHBondContact O-N 3.13Å; I64-Q203 HydrophobicContact CB-CB 4.34Å; I64-Q203 HydrophobicContact CD1-CB 3.96Å; I64-Q203 HydrophobicContact CG1-CB 3.18Å; I64-Q203 HydrophobicContact CG1-CG 4.23Å; I64-V205 HydrophobicContact CB-CB 4.3Å; I64-V205 HydrophobicContact CG2-CB 3.82Å; I64-V205 HydrophobicContact CG2-CG1 3.69Å; I64-V205 HydrophobicContact CG2-CG2 4.45Å; I64-D240 WeakPolarHBondContact CG2-O 3.43Å
65	V	51.2	Low	60.1	Low	33 Å²	33	65.8 Å²	65.8	20%	0.2	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-56.1	110.3	170.2	-152.4	0	0	0	0	107.2	G67 F238 R239 A273	V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 3.05Å; V65-G67 VanDerWaalsContact O-N 3.17Å; V65-F238 CarbonylContact C-O 3.51Å; V65-F238 WeakPolarHBondContact CB-O 3.35Å; V65-F238 WeakPolarHBondContact CG1-O 3.16Å; V65-R239 VanDerWaalsContact O-CA 3.22Å; V65-R239 WeakPolarHBondContact O-CA 3.39Å; V65-A273 HydrophobicContact CB-CB 3.7Å; V65-A273 HydrophobicContact CG1-CB 3.63Å; V65-A273 HydrophobicContact CG2-CB 3.86Å
66	G	62.1	Low	62.7	Low	42 Å²	42	61.2 Å²	61.2	43%	0.433	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	18.5	-171.1	0	0	0	0	0	118.4	I64 F238	I64-G66 PolarHBondContact O-N 3.17Å; G66-F238 PolarHBondContact N-O 3.29Å
67	G	71.7	Confident	65.3	Low	3 Å²	3	57.5 Å²	57.5	3%	0.031	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-105	-178.2	174.6	0	0	0	0	0	114.9	N62 R63 I64 V65 E204	N62-G67 WeakPolarHBondContact CA-O 3.4Å; N62-G67 WeakPolarHBondContact CB-O 3.42Å; R63-G67 PolarHBondContact N-O 3.03Å; I64-G67 PolarHBondContact O-N 3.13Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 3.05Å; V65-G67 VanDerWaalsContact O-N 3.17Å; G67-E204 CarbonylContact C-O 3.52Å; G67-E204 VanDerWaalsContact CA-O 3.3Å; G67-E204 WeakPolarHBondContact CA-O 3.38Å
68	T	83.3	Confident	68	Low	53 Å²	53	52.6 Å²	52.6	33%	0.325	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.7	-173.6	54.4	0	0	0	0	112.1	M60 A70 Q203 E204	M60-T68 HydrophobicContact CE-CG2 4.46Å; T68-A70 PolarHBondContact O-N 3.03Å; T68-Q203 WeakPolarHBondContact O-CA 3.37Å; T68-E204 PolarHBondContact N-O 3.3Å; T68-E204 PolarHBondContact O-N 3.08Å
69	S	85	Confident	70.9	Confident	60 Å²	60	47.7 Å²	47.7	42%	0.42	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	131.4	170.7	-61.7	0	0	0	0	110.3	L202 Q203	S69-L202 WeakPolarHBondContact CA-O 3.25Å; S69-Q203 PolarHBondContact OG-NE2 2.82Å; S69-Q203 VanDerWaalsContact OG-NE2 3.08Å
70	A	84.9	Confident	73.9	Confident	7 Å²	7	40 Å²	40	6%	0.058	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-97.2	141	179.9	0	0	0	0	0	110.8	T68 Q75 T123 L202 E204	T68-A70 PolarHBondContact O-N 3.03Å; A70-Q75 HydrophobicContact CB-CG 4.43Å; A70-T123 WeakPolarHBondContact O-CG2 3.24Å; A70-L202 HydrophobicContact CB-CD2 3.97Å; A70-L202 HydrophobicContact CB-CG 3.98Å; A70-L202 PolarHBondContact N-O 3.49Å; A70-E204 HydrophobicContact CB-CB 3.88Å; A70-E204 HydrophobicContact CB-CG 3.74Å
71	A	86.5	Confident	76.8	Confident	30 Å²	30	33.6 Å²	33.6	25%	0.248	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-70	150.8	164.9	0	0	0	0	0	109.8	E73 A74	A71-E73 PolarHBondContact O-N 2.77Å; A71-A74 HydrophobicContact CB-CB 4.35Å; A71-A74 VanDerWaalsContact O-CB 3.28Å; A71-A74 WeakPolarHBondContact O-CB 3.37Å; A71-A74 PolarHBondContact O-N 3.47Å
72	L	85	Confident	79.8	Confident	22 Å²	22	24.5 Å²	24.5	12%	0.115	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.2	-35.9	176.4	179.1	64.2	0	0	0	110.8	A74 Q75 P76 G121 T123 I167	L72-A74 PolarHBondContact O-N 3.24Å; L72-Q75 CarbonylContact O-C 3.6Å; L72-Q75 PolarHBondContact O-N 3.39Å; L72-P76 WeakPolarHBondContact O-CA 3.42Å; L72-G121 WeakPolarHBondContact CD2-O 3.37Å; L72-T123 HydrophobicContact CB-CG2 4.03Å; L72-I167 HydrophobicContact CD2-CG2 3.85Å; L72-I167 HydrophobicContact CG-CG2 4.01Å
73	E	86.3	Confident	82.7	Confident	39 Å²	39	23.7 Å²	23.7	18%	0.182	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.7	177.5	-64.1	97.4	140.7	0	0	113.7	R48 S49 T52 A71 I167	R48-E73 CarbonylContact C-O 3.56Å; R48-E73 WeakPolarHBondContact CA-O 3.27Å; S49-E73 PolarHBondContact N-O 2.98Å; S49-E73 WeakPolarHBondContact O-CB 3.24Å; T52-E73 WeakPolarHBondContact CB-OE1 3.29Å; T52-E73 WeakPolarHBondContact OG1-CG 3.48Å; T52-E73 PolarHBondContact OG1-OE1 3.42Å; A71-E73 PolarHBondContact O-N 2.77Å; E73-I167 HydrophobicContact CG-CG2 4.47Å
74	A	91.9	Very high	85.4	Confident	3 Å²	3	25.5 Å²	25.5	3%	0.025	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-80.3	-22.8	173.7	0	0	0	0	0	112	R48 A71 L72	R48-A74 WeakPolarHBondContact CD-O 3.33Å; R48-A74 WeakPolarHBondContact CG-O 3.42Å; R48-A74 PolarHBondContact NE-O 2.62Å; A71-A74 HydrophobicContact CB-CB 4.35Å; A71-A74 VanDerWaalsContact O-CB 3.28Å; A71-A74 WeakPolarHBondContact O-CB 3.37Å; A71-A74 PolarHBondContact O-N 3.47Å; L72-A74 PolarHBondContact O-N 3.24Å
75	Q	94.8	Very high	87.4	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-140.4	56.3	-177.9	-60.4	-67.6	-19.1	0	0	111.1	A70 L72 W77 I78 A187 L202 E204	A70-Q75 HydrophobicContact CB-CG 4.43Å; L72-Q75 CarbonylContact O-C 3.6Å; L72-Q75 PolarHBondContact O-N 3.39Å; Q75-W77 PolarHBondContact O-N 2.95Å; Q75-I78 HydrophobicContact CB-CB 3.97Å; Q75-I78 HydrophobicContact CB-CG2 3.97Å; Q75-I78 WeakPolarHBondContact O-CB 3.27Å; Q75-I78 WeakPolarHBondContact O-CG2 3.31Å; Q75-I78 PolarHBondContact O-N 3.28Å; Q75-A187 VanDerWaalsContact CD-CB 3.48Å; Q75-A187 HydrophobicContact CG-CB 3.63Å; Q75-L202 HydrophobicContact CB-CD2 4.02Å; Q75-L202 HydrophobicContact CG-CD2 4.33Å; Q75-E204 PolarHBondContact NE2-OE2 3.15Å; Q75-E204 VanDerWaalsContact NE2-OE2 3.08Å
76	P	94.5	Very high	89.3	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.032	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.9	-169	24.7	-33.7	0	0	0	115	V47 L72 I167 T169	V47-P76 WeakPolarHBondContact O-CG 3.45Å; L72-P76 WeakPolarHBondContact O-CA 3.42Å; P76-I167 WeakPolarHBondContact CB-O 3.45Å; P76-T169 CarbonylContact C-O 3.49Å; P76-T169 WeakPolarHBondContact CG-OG1 3.39Å
77	W	96.6	Very high	90.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-12.1	175.6	41.7	75.2	0	0	0	113.5	R48 Q75 V79 S92 L93 T169 V171 I251 W260	R48-W77 HydrophobicContact CG-CH2 3.72Å; R48-W77 HydrophobicContact CG-CZ2 4.32Å; Q75-W77 PolarHBondContact O-N 2.95Å; W77-V79 PolarHBondContact O-N 3.43Å; W77-S92 CarbonylContact O-C 3.58Å; W77-S92 WeakPolarHBondContact O-CA 2.93Å; W77-L93 HydrophobicContact CB-CB 4.22Å; W77-L93 PolarHBondContact O-N 2.94Å; W77-T169 VanDerWaalsContact CA-O 3.27Å; W77-T169 WeakPolarHBondContact CA-O 3.42Å; W77-T169 WeakPolarHBondContact CB-O 3.49Å; W77-T169 PolarHBondContact N-O 3.43Å; W77-V171 HydrophobicContact CB-CB 4.06Å; W77-V171 HydrophobicContact CB-CG1 4.37Å; W77-V171 HydrophobicContact CD2-CB 3.59Å; W77-V171 HydrophobicContact CD2-CG2 4.14Å; W77-V171 HydrophobicContact CE3-CB 3.79Å; W77-V171 HydrophobicContact CE3-CG2 4.3Å; W77-V171 HydrophobicContact CG-CB 3.68Å; W77-V171 HydrophobicContact CG-CG1 4.26Å; W77-I251 HydrophobicContact CH2-CD1 4.29Å; W77-I251 HydrophobicContact CZ2-CD1 3.42Å; W77-I251 VanDerWaalsContact CZ2-CD1 3.42Å; W77-I251 HydrophobicContact CZ2-CG2 4.08Å; W77-W260 HydrophobicContact CH2-CB 3.87Å; W77-W260 HydrophobicContact CH2-CG 4.2Å
78	I	96.9	Very high	91.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.7	-171.4	-165.7	69.4	0	0	0	110.8	Q75 A187 W189 L202 P249	Q75-I78 HydrophobicContact CB-CB 3.97Å; Q75-I78 HydrophobicContact CB-CG2 3.97Å; Q75-I78 WeakPolarHBondContact O-CB 3.27Å; Q75-I78 WeakPolarHBondContact O-CG2 3.31Å; Q75-I78 PolarHBondContact O-N 3.28Å; I78-A187 HydrophobicContact CD1-CB 4.42Å; I78-W189 HydrophobicContact CB-CH2 4.38Å; I78-W189 HydrophobicContact CD1-CZ3 4.41Å; I78-W189 HydrophobicContact CG1-CH2 3.63Å; I78-W189 HydrophobicContact CG1-CZ3 3.61Å; I78-W189 HydrophobicContact CG2-CH2 3.93Å; I78-W189 HydrophobicContact CG2-CZ2 4.47Å; I78-L202 HydrophobicContact CG1-CD1 3.85Å; I78-L202 HydrophobicContact CG2-CD1 4.31Å; I78-L202 HydrophobicContact CG2-CD2 3.79Å; I78-P249 HydrophobicContact CD1-CG 3.69Å
79	V	97.5	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.6	174.1	-48.6	0	0	0	0	112	W77 L81 G90 G91 L93 V99 V118 A119	W77-V79 PolarHBondContact O-N 3.43Å; V79-L81 HydrophobicContact CG2-CD1 3.96Å; V79-G90 CarbonylContact O-C 3.48Å; V79-G90 WeakPolarHBondContact O-CA 3.18Å; V79-G91 PolarHBondContact N-O 3.42Å; V79-G91 VanDerWaalsContact N-O 3.08Å; V79-G91 PolarHBondContact O-N 2.85Å; V79-L93 HydrophobicContact CG1-CD1 4.15Å; V79-L93 HydrophobicContact CG1-CD2 4.28Å; V79-L93 HydrophobicContact CG1-CG 3.75Å; V79-V99 HydrophobicContact CG1-CG2 4.36Å; V79-V99 HydrophobicContact CG2-CB 4.48Å; V79-V99 HydrophobicContact CG2-CG1 3.6Å; V79-V99 HydrophobicContact CG2-CG2 4Å; V79-V118 HydrophobicContact CB-CG1 3.36Å; V79-V118 HydrophobicContact CG1-CG1 3.75Å; V79-V118 HydrophobicContact CG2-CG1 3.54Å; V79-A119 CarbonylContact C-O 3.55Å; V79-A119 WeakPolarHBondContact CA-O 3.41Å
80	A	97.5	Very high	93.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	172.4	0	0	0	0	0	109.5	L82 F87 V118 A119 W125 W189	A80-L82 HydrophobicContact CB-CD2 4.35Å; A80-F87 HydrophobicContact CB-CD2 3.72Å; A80-F87 HydrophobicContact CB-CE2 3.97Å; A80-V118 CarbonylContact O-C 3.58Å; A80-V118 WeakPolarHBondContact O-CA 3.35Å; A80-A119 HydrophobicContact CB-CB 4.17Å; A80-A119 PolarHBondContact N-O 2.96Å; A80-A119 PolarHBondContact O-N 3.32Å; A80-W125 HydrophobicContact CB-CB 3.62Å; A80-W125 HydrophobicContact CB-CG 4.46Å; A80-W189 HydrophobicContact CB-CE3 3.97Å; A80-W189 HydrophobicContact CB-CH2 4.1Å; A80-W189 HydrophobicContact CB-CZ3 3.7Å
81	L	97.7	Very high	93.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.7	171	-83.2	55.4	0	0	0	109	V79 F87 F88 C89 V99 T101 V106 V118 L155	V79-L81 HydrophobicContact CG2-CD1 3.96Å; L81-F87 WeakPolarHBondContact O-CA 3.13Å; L81-F88 HydrophobicContact CB-CD1 4.36Å; L81-F88 HydrophobicContact CB-CE1 3.73Å; L81-F88 HydrophobicContact CB-CZ 3.82Å; L81-F88 HydrophobicContact CD2-CZ 4.17Å; L81-F88 VanDerWaalsContact O-CD1 3.3Å; L81-F88 WeakPolarHBondContact O-CD1 3.23Å; L81-F88 PolarHBondContact O-N 3.35Å; L81-F88 VanDerWaalsContact O-N 3.14Å; L81-C89 HydrophobicContact CB-CB 4.24Å; L81-C89 WeakPolarHBondContact CB-O 3.24Å; L81-C89 HydrophobicContact CD2-CB 4.13Å; L81-C89 PolarHBondContact N-O 3.3Å; L81-V99 HydrophobicContact CD1-CG1 4.47Å; L81-T101 HydrophobicContact CD2-CG2 4.04Å; L81-V106 HydrophobicContact CD2-CG1 4.46Å; L81-V118 HydrophobicContact CD1-CG2 4.45Å; L81-L155 HydrophobicContact CD1-CD1 4.28Å; L81-L155 HydrophobicContact CD2-CD1 3.84Å; L81-L155 HydrophobicContact CG-CD1 3.98Å
82	L	96.2	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.2	179.1	-47.7	-176.1	0	0	0	109.5	A80 R86 F87 L116 E117 A119 W125 K130	A80-L82 HydrophobicContact CB-CD2 4.35Å; L82-R86 CarbonylContact C-O 3.52Å; L82-R86 VanDerWaalsContact CA-O 3.28Å; L82-R86 WeakPolarHBondContact CA-O 3.07Å; L82-F87 HydrophobicContact CD2-CB 3.95Å; L82-L116 WeakPolarHBondContact O-CA 3.29Å; L82-E117 HydrophobicContact CB-CB 4.26Å; L82-E117 PolarHBondContact N-O 3.08Å; L82-E117 PolarHBondContact O-N 2.95Å; L82-A119 HydrophobicContact CD1-CB 3.94Å; L82-A119 HydrophobicContact CG-CB 4.26Å; L82-W125 HydrophobicContact CD2-CE3 3.85Å; L82-W125 HydrophobicContact CD2-CZ3 4.2Å; L82-K130 HydrophobicContact CD1-CD 4.13Å; L82-K130 HydrophobicContact CD1-CG 4.44Å
83	Y	94.6	Very high	94.9	Very high	85 Å²	85	28.4 Å²	28.4	33%	0.333	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.2	167.5	171.6	-112.7	0	0	0	107.8	G85 R86 D115 L116	Y83-G85 PolarHBondContact O-N 2.82Å; Y83-R86 PolarHBondContact N-O 3.42Å; Y83-R86 PolarHBondContact O-N 2.85Å; Y83-D115 HydrophobicContact CD2-CB 3.81Å; Y83-D115 HydrophobicContact CE2-CB 3.59Å; Y83-L116 HydrophobicContact CD2-CD2 4.31Å
84	K	90.6	Very high	95.4	Very high	143 Å²	143	27.1 Å²	27.1	62%	0.622	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	45.6	-174.6	-59	-176.3	176.3	-179.6	0	112.2	R86 D115	K84-R86 VanDerWaalsContact C-N 3.27Å; K84-R86 PolarHBondContact O-N 2.87Å; K84-D115 PolarHBondContact N-O 3.17Å
85	G	90.3	Very high	95.6	Very high	29 Å²	29	28.2 Å²	28.2	30%	0.299	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-0.7	179.9	0	0	0	0	0	116.2	Y83	Y83-G85 PolarHBondContact O-N 2.82Å
86	R	92.7	Very high	95.5	Very high	199 Å²	199	31 Å²	31	75%	0.751	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	179.4	-61.5	-177.2	120.1	-175.7	1.6	111.3	L82 Y83 K84	L82-R86 CarbonylContact C-O 3.52Å; L82-R86 VanDerWaalsContact CA-O 3.28Å; L82-R86 WeakPolarHBondContact CA-O 3.07Å; Y83-R86 PolarHBondContact N-O 3.42Å; Y83-R86 PolarHBondContact O-N 2.85Å; K84-R86 VanDerWaalsContact C-N 3.27Å; K84-R86 PolarHBondContact O-N 2.87Å
87	F	93.2	Very high	95.6	Very high	23 Å²	23	36.2 Å²	36.2	10%	0.101	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.7	172.7	171.2	-107.5	0	0	0	111.8	A80 L81 L82 C89 W125 W189 V198 G244	A80-F87 HydrophobicContact CB-CD2 3.72Å; A80-F87 HydrophobicContact CB-CE2 3.97Å; L81-F87 WeakPolarHBondContact O-CA 3.13Å; L82-F87 HydrophobicContact CD2-CB 3.95Å; F87-C89 WeakPolarHBondContact CE2-O 3.11Å; F87-W125 HydrophobicContact CB-CD2 3.87Å; F87-W125 HydrophobicContact CB-CE3 3.98Å; F87-W125 HydrophobicContact CB-CH2 4.04Å; F87-W125 HydrophobicContact CB-CZ2 3.91Å; F87-W125 HydrophobicContact CB-CZ3 4.06Å; F87-W125 HydrophobicContact CG-CD2 4.44Å; F87-W189 HydrophobicContact CD1-CB 4.45Å; F87-W189 HydrophobicContact CE1-CB 3.79Å; F87-W189 HydrophobicContact CE2-CB 4.22Å; F87-W189 HydrophobicContact CE2-CE3 4.02Å; F87-W189 HydrophobicContact CZ-CB 3.65Å; F87-W189 HydrophobicContact CZ-CE3 4.35Å; F87-V198 HydrophobicContact CD1-CB 4.46Å; F87-V198 HydrophobicContact CD1-CG1 4.36Å; F87-V198 HydrophobicContact CE1-CB 4.45Å; F87-V198 HydrophobicContact CE1-CG1 4.2Å; F87-G244 WeakPolarHBondContact CZ-O 3.44Å
88	F	93.4	Very high	95.6	Very high	60 Å²	60	36.6 Å²	36.6	26%	0.263	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-25	177	74	-85.8	0	0	0	115.3	L81 C105 L111 L116	L81-F88 HydrophobicContact CB-CD1 4.36Å; L81-F88 HydrophobicContact CB-CE1 3.73Å; L81-F88 HydrophobicContact CB-CZ 3.82Å; L81-F88 HydrophobicContact CD2-CZ 4.17Å; L81-F88 VanDerWaalsContact O-CD1 3.3Å; L81-F88 WeakPolarHBondContact O-CD1 3.23Å; L81-F88 PolarHBondContact O-N 3.35Å; L81-F88 VanDerWaalsContact O-N 3.14Å; F88-C105 HydrophobicContact CE2-CB 3.96Å; F88-C105 VanDerWaalsContact CE2-O 3.25Å; F88-C105 WeakPolarHBondContact CE2-O 3.34Å; F88-L111 HydrophobicContact CZ-CD1 4.5Å; F88-L116 HydrophobicContact CE1-CD2 3.96Å; F88-L116 HydrophobicContact CZ-CD2 3.99Å
89	C	96.4	Very high	95.7	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.3	177.2	-81.7	0	0	0	0	111.2	L81 F87 C105 S246	L81-C89 HydrophobicContact CB-CB 4.24Å; L81-C89 WeakPolarHBondContact CB-O 3.24Å; L81-C89 HydrophobicContact CD2-CB 4.13Å; L81-C89 PolarHBondContact N-O 3.3Å; F87-C89 WeakPolarHBondContact CE2-O 3.11Å; C89-C105 HydrophobicContact CB-CB 3.77Å; C89-C105 WeakPolarHBondContact CB-SG 3.39Å; C89-C105 WeakPolarHBondContact SG-CB 3.46Å; C89-C105 CovalentContact SG-SG 2.04Å; C89-C105 PolarHBondContact SG-SG 3.31Å; C89-S246 CarbonylContact C-O 3.56Å; C89-S246 VanDerWaalsContact CB-O 3.29Å; C89-S246 WeakPolarHBondContact CB-O 3.33Å
90	G	97.3	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	175.8	166.7	0	0	0	0	0	113.4	V79 T101 S246 G247	V79-G90 CarbonylContact O-C 3.48Å; V79-G90 WeakPolarHBondContact O-CA 3.18Å; G90-T101 PolarHBondContact O-OG1 2.79Å; G90-S246 PolarHBondContact N-O 3.33Å; G90-G247 CarbonylContact O-C 3.54Å; G90-G247 WeakPolarHBondContact O-CA 3.43Å
91	G	98.3	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	176.4	173.3	0	0	0	0	0	110.9	V79 V100 G247	V79-G91 PolarHBondContact N-O 3.42Å; V79-G91 VanDerWaalsContact N-O 3.08Å; V79-G91 PolarHBondContact O-N 2.85Å; G91-V100 CarbonylContact C-O 3.56Å; G91-V100 VanDerWaalsContact CA-O 3.25Å; G91-V100 WeakPolarHBondContact CA-O 3.23Å; G91-G247 WeakPolarHBondContact CA-O 3.34Å
92	S	98.5	Very high	95.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.5	174.5	-62.8	0	0	0	0	112	W77 I94 V99 V100 P249	W77-S92 CarbonylContact O-C 3.58Å; W77-S92 WeakPolarHBondContact O-CA 2.93Å; S92-I94 PolarHBondContact O-N 3.05Å; S92-V99 CarbonylContact O-C 3.49Å; S92-V99 VanDerWaalsContact O-CA 3.28Å; S92-V99 WeakPolarHBondContact O-CA 3.47Å; S92-V100 PolarHBondContact N-O 2.56Å; S92-V100 PolarHBondContact O-N 2.59Å; S92-P249 VanDerWaalsContact OG-CB 3.26Å; S92-P249 WeakPolarHBondContact OG-CB 3.3Å; S92-P249 WeakPolarHBondContact OG-CD 3.33Å; S92-P249 WeakPolarHBondContact OG-CG 3.2Å
93	L	97.7	Very high	95.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.3	168.4	-68.5	166.5	0	0	0	109.6	W77 V79 L98 V99 L157 T161 I168 P170 V171	W77-L93 HydrophobicContact CB-CB 4.22Å; W77-L93 PolarHBondContact O-N 2.94Å; V79-L93 HydrophobicContact CG1-CD1 4.15Å; V79-L93 HydrophobicContact CG1-CD2 4.28Å; V79-L93 HydrophobicContact CG1-CG 3.75Å; L93-L98 WeakPolarHBondContact CA-O 3.27Å; L93-V99 HydrophobicContact CD2-CG2 3.66Å; L93-V99 HydrophobicContact CG-CG2 4.39Å; L93-L157 HydrophobicContact CD2-CD1 3.99Å; L93-T161 HydrophobicContact CD1-CG2 4.33Å; L93-T161 HydrophobicContact CD2-CG2 4.06Å; L93-I168 HydrophobicContact CD1-CG2 3.49Å; L93-I168 VanDerWaalsContact CD1-CG2 3.49Å; L93-P170 HydrophobicContact CB-CB 4.41Å; L93-P170 CarbonylContact O-C 3.49Å; L93-P170 WeakPolarHBondContact O-CA 3.34Å; L93-P170 WeakPolarHBondContact O-CB 3.4Å; L93-V171 PolarHBondContact O-N 3.23Å
94	I	97.2	Very high	95.9	Very high	12 Å²	12	36 Å²	36	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	-111.4	-9.8	170.2	59.3	167.9	0	0	0	111.9	S92 L98 V100 L154 V171 L173 L262 I291 M295	S92-I94 PolarHBondContact O-N 3.05Å; I94-L98 HydrophobicContact CD1-CB 4.24Å; I94-L98 HydrophobicContact CG1-CB 3.83Å; I94-L98 PolarHBondContact N-O 3.08Å; I94-V100 HydrophobicContact CD1-CB 4.49Å; I94-V100 HydrophobicContact CG2-CB 4.22Å; I94-V100 HydrophobicContact CG2-CG1 3.64Å; I94-L154 HydrophobicContact CD1-CD2 3.61Å; I94-V171 HydrophobicContact CG2-CG1 4.21Å; I94-L173 HydrophobicContact CG2-CD2 4.07Å; I94-L262 HydrophobicContact CG2-CD2 4.46Å; I94-I291 HydrophobicContact CD1-CG2 3.52Å; I94-M295 HydrophobicContact CD1-CG 4.13Å; I94-M295 HydrophobicContact CD1-SD 3.96Å
95	S	95.1	Very high	96.1	Very high	25 Å²	25	29.6 Å²	29.6	18%	0.175	14%	0.138	C	C	.	.	S	Bend	trans	-150.9	-173.9	164.1	75.1	0	0	0	0	109.2	R97 L98	S95-R97 PolarHBondContact O-N 3.19Å; S95-R97 PolarHBondContact OG-N 3.28Å; S95-L98 PolarHBondContact N-O 3.14Å; S95-L98 WeakPolarHBondContact OG-CB 3.42Å; S95-L98 PolarHBondContact OG-N 2.73Å
96	D	94.4	Very high	96.4	Very high	58 Å²	58	28.7 Å²	28.7	31%	0.31	13%	0.127	S	C	.	.	S	Bend	trans	-71.2	-6.9	173.7	71.9	-32.4	0	0	0	113.7	S160 T161	D96-S160 CarbonylContact O-C 3.32Å; D96-S160 WeakPolarHBondContact O-CA 3.38Å; D96-S160 PolarHBondContact OD2-OG 2.95Å; D96-T161 WeakPolarHBondContact CA-OG1 3.07Å; D96-T161 PolarHBondContact O-N 2.77Å; D96-T161 PolarHBondContact O-OG1 3.4Å
97	R	95.7	Very high	96.3	Very high	115 Å²	115	21 Å²	21	43%	0.434	11%	0.106	S	C	.	.	S	Bend	trans	-135.5	-5.9	-174.4	-69.7	176.7	-178.4	-87.7	4.4	114.3	S95 L157	S95-R97 PolarHBondContact O-N 3.19Å; S95-R97 PolarHBondContact OG-N 3.28Å; R97-L157 WeakPolarHBondContact O-CG 3.44Å; R97-L157 PolarHBondContact O-N 2.99Å
98	L	97.3	Very high	96	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.042	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.4	-175.7	-65.8	171.1	0	0	0	110.9	L93 I94 S95 L155 K156 M295 M298	L93-L98 WeakPolarHBondContact CA-O 3.27Å; I94-L98 HydrophobicContact CD1-CB 4.24Å; I94-L98 HydrophobicContact CG1-CB 3.83Å; I94-L98 PolarHBondContact N-O 3.08Å; S95-L98 PolarHBondContact N-O 3.14Å; S95-L98 WeakPolarHBondContact OG-CB 3.42Å; S95-L98 PolarHBondContact OG-N 2.73Å; L98-L155 WeakPolarHBondContact CA-O 3.22Å; L98-K156 HydrophobicContact CD2-CB 4.17Å; L98-K156 HydrophobicContact CD2-CG 4.44Å; L98-M295 HydrophobicContact CD1-CB 4.04Å; L98-M295 HydrophobicContact CD1-CG 3.62Å; L98-M298 HydrophobicContact CD2-CB 4.44Å; L98-M298 HydrophobicContact CD2-SD 3.69Å
99	V	98.5	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.5	171.4	169.9	0	0	0	0	108.6	V79 L81 S92 L93 V118 L154 L155 L157	V79-V99 HydrophobicContact CG1-CG2 4.36Å; V79-V99 HydrophobicContact CG2-CB 4.48Å; V79-V99 HydrophobicContact CG2-CG1 3.6Å; V79-V99 HydrophobicContact CG2-CG2 4Å; L81-V99 HydrophobicContact CD1-CG1 4.47Å; S92-V99 CarbonylContact O-C 3.49Å; S92-V99 VanDerWaalsContact O-CA 3.28Å; S92-V99 WeakPolarHBondContact O-CA 3.47Å; L93-V99 HydrophobicContact CD2-CG2 3.66Å; L93-V99 HydrophobicContact CG-CG2 4.39Å; V99-V118 HydrophobicContact CG2-CG1 4.28Å; V99-L154 CarbonylContact O-C 3.58Å; V99-L154 WeakPolarHBondContact O-CA 3.45Å; V99-L155 HydrophobicContact CB-CB 4.22Å; V99-L155 HydrophobicContact CG1-CD1 4.45Å; V99-L155 PolarHBondContact N-O 3.11Å; V99-L155 PolarHBondContact O-N 3.15Å; V99-L157 HydrophobicContact CG2-CD1 4.3Å; V99-L157 HydrophobicContact CG2-CD2 3.89Å; V99-L157 HydrophobicContact CG2-CG 4.34Å
100	V	98.6	Very high	94.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.2	164.5	68	0	0	0	0	110.1	G91 S92 I94 A153 L154 L262 I265 I291	G91-V100 CarbonylContact C-O 3.56Å; G91-V100 VanDerWaalsContact CA-O 3.25Å; G91-V100 WeakPolarHBondContact CA-O 3.23Å; S92-V100 PolarHBondContact N-O 2.56Å; S92-V100 PolarHBondContact O-N 2.59Å; I94-V100 HydrophobicContact CD1-CB 4.49Å; I94-V100 HydrophobicContact CG2-CB 4.22Å; I94-V100 HydrophobicContact CG2-CG1 3.64Å; V100-A153 WeakPolarHBondContact CA-O 3.44Å; V100-L154 HydrophobicContact CB-CD2 3.8Å; V100-L154 HydrophobicContact CG2-CD2 4Å; V100-L262 HydrophobicContact CG1-CD2 3.33Å; V100-I265 HydrophobicContact CG2-CD1 3.59Å; V100-I265 HydrophobicContact CG2-CG1 4.36Å; V100-I291 HydrophobicContact CG2-CD1 4.2Å
101	T	98.5	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-177.2	179.6	-171.2	0	0	0	0	109.4	L81 G90 A152 A153 L155 G247	L81-T101 HydrophobicContact CD2-CG2 4.04Å; G90-T101 PolarHBondContact O-OG1 2.79Å; T101-A152 WeakPolarHBondContact O-CA 3.37Å; T101-A153 HydrophobicContact CG2-CB 4.1Å; T101-A153 PolarHBondContact N-O 3.44Å; T101-A153 PolarHBondContact O-N 2.92Å; T101-L155 HydrophobicContact CG2-CD1 4.16Å; T101-L155 HydrophobicContact CG2-CD2 4.42Å; T101-L155 HydrophobicContact CG2-CG 4.11Å; T101-G247 WeakPolarHBondContact OG1-CA 3.39Å
102	A	98	Very high	93.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.			trans	-79.8	143.2	174.4	0	0	0	0	0	110.5	H104 C105 G247 I265	A102-H104 VanDerWaalsContact C-N 3.34Å; A102-H104 PolarHBondContact O-N 2.66Å; A102-C105 WeakPolarHBondContact O-CB 3.35Å; A102-C105 PolarHBondContact O-N 2.82Å; A102-G247 VanDerWaalsContact N-CA 3.29Å; A102-I265 HydrophobicContact CB-CG2 4.24Å
103	A	97.5	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-64.4	-38.9	176.9	0	0	0	0	0	111.9	C105 V106 A107 I138 F142 D151 A153	A103-C105 PolarHBondContact O-N 3.25Å; A103-C105 VanDerWaalsContact O-N 3.08Å; A103-V106 CarbonylContact O-C 3.58Å; A103-V106 PolarHBondContact O-N 3.36Å; A103-A107 VanDerWaalsContact O-CB 3.25Å; A103-A107 WeakPolarHBondContact O-CB 3.4Å; A103-A107 PolarHBondContact O-N 3.22Å; A103-I138 HydrophobicContact CB-CG1 4.49Å; A103-I138 HydrophobicContact CB-CG2 3.74Å; A103-F142 HydrophobicContact CB-CB 4.2Å; A103-F142 HydrophobicContact CB-CD1 3.83Å; A103-F142 HydrophobicContact CB-CD2 3.48Å; A103-F142 VanDerWaalsContact CB-CD2 3.48Å; A103-F142 HydrophobicContact CB-CE1 4.02Å; A103-F142 HydrophobicContact CB-CE2 3.66Å; A103-F142 HydrophobicContact CB-CG 3.55Å; A103-F142 HydrophobicContact CB-CZ 3.93Å; A103-D151 WeakPolarHBondContact CA-OD1 3.37Å; A103-D151 WeakPolarHBondContact CB-OD1 3.44Å; A103-D151 PolarHBondContact N-OD1 3.14Å; A103-A153 HydrophobicContact CB-CB 4.43Å
104	H	95.1	Very high	92.9	Very high	73 Å²	73	49.7 Å²	49.7	34%	0.338	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-61.6	-20.7	179.4	78.7	-100	0	0	0	113.4	A102 V106 F142 D151 S246 S267	A102-H104 VanDerWaalsContact C-N 3.34Å; A102-H104 PolarHBondContact O-N 2.66Å; H104-V106 VanDerWaalsContact C-N 3.32Å; H104-F142 HydrophobicContact CB-CZ 4.09Å; H104-D151 IonicContact CE1-OD2 3.97Å; H104-D151 IonicContact CG-OD1 3.53Å; H104-D151 IonicContact CG-OD2 3.86Å; H104-D151 PolarHBondContact N-OD1 2.04Å; H104-D151 IonicContact ND1-OD1 3.91Å; H104-D151 PolarHBondContact ND1-OD1 3.24Å; H104-D151 IonicContact ND1-OD2 3.51Å; H104-D151 PolarHBondContact ND1-OD2 3.21Å; H104-S246 VanDerWaalsContact CE1-CB 3.48Å; H104-S246 WeakPolarHBondContact CE1-CB 3.36Å; H104-S246 PolarHBondContact CE1-OG 3.21Å; H104-S246 WeakPolarHBondContact NE2-CB 3.45Å; H104-S246 PolarHBondContact NE2-OG 3.43Å; H104-S267 PolarHBondContact CE1-O 3.46Å
105	C	95.2	Very high	92.8	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.061	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-69.6	-28.1	173.2	-67.1	0	0	0	0	112.5	F88 C89 A102 A103	F88-C105 HydrophobicContact CE2-CB 3.96Å; F88-C105 VanDerWaalsContact CE2-O 3.25Å; F88-C105 WeakPolarHBondContact CE2-O 3.34Å; C89-C105 HydrophobicContact CB-CB 3.77Å; C89-C105 WeakPolarHBondContact CB-SG 3.39Å; C89-C105 WeakPolarHBondContact SG-CB 3.46Å; C89-C105 CovalentContact SG-SG 2.04Å; C89-C105 PolarHBondContact SG-SG 3.31Å; A102-C105 WeakPolarHBondContact O-CB 3.35Å; A102-C105 PolarHBondContact O-N 2.82Å; A103-C105 PolarHBondContact O-N 3.25Å; A103-C105 VanDerWaalsContact O-N 3.08Å
106	V	95.3	Very high	92.8	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	2.4	-171.7	-60.9	0	0	0	0	114.4	L81 A103 H104 N108 L116 I138 A153 L155	L81-V106 HydrophobicContact CD2-CG1 4.46Å; A103-V106 CarbonylContact O-C 3.58Å; A103-V106 PolarHBondContact O-N 3.36Å; H104-V106 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 2.85Å; V106-L116 HydrophobicContact CG1-CD1 4.09Å; V106-I138 HydrophobicContact CG2-CD1 4.43Å; V106-I138 HydrophobicContact CG2-CG1 4.1Å; V106-A153 HydrophobicContact CG2-CB 3.47Å; V106-A153 VanDerWaalsContact CG2-CB 3.47Å; V106-L155 HydrophobicContact CG1-CD2 4.09Å; V106-L155 HydrophobicContact CG2-CD2 4.49Å
107	A	92.1	Very high	93	Very high	37 Å²	37	50.9 Å²	50.9	31%	0.306	27%	0.265	S	S	.	.			trans	-73.8	-9.7	-180	0	0	0	0	0	114.8	A103 A109 I138 F142	A103-A107 VanDerWaalsContact O-CB 3.25Å; A103-A107 WeakPolarHBondContact O-CB 3.4Å; A103-A107 PolarHBondContact O-N 3.22Å; A107-A109 PolarHBondContact O-N 3.27Å; A107-I138 HydrophobicContact CB-CD1 3.89Å; A107-F142 HydrophobicContact CB-CD1 4.36Å; A107-F142 HydrophobicContact CB-CE1 3.67Å; A107-F142 HydrophobicContact CB-CZ 4.45Å
108	N	86.6	Confident	93.1	Very high	94 Å²	94	45.4 Å²	45.4	50%	0.503	24%	0.244	S	C	.	.			trans	-68	115.4	177.7	-175.4	-15.8	0	0	0	110.3	V106 R110 L111	V106-N108 PolarHBondContact O-N 2.85Å; N108-R110 PolarHBondContact O-N 3.09Å; N108-R110 WeakPolarHBondContact OD1-CB 3.49Å; N108-R110 PolarHBondContact OD1-N 2.82Å; N108-L111 HydrophobicContact CB-CB 4.16Å; N108-L111 VanDerWaalsContact O-CB 3.27Å; N108-L111 WeakPolarHBondContact O-CB 3.47Å; N108-L111 PolarHBondContact O-N 3.44Å
109	A	76.5	Confident	93.1	Very high	95 Å²	95	45 Å²	45	79%	0.785	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.6	-178.6	0	0	0	0	0	114.7	A107 L111	A107-A109 PolarHBondContact O-N 3.27Å; A109-L111 VanDerWaalsContact C-N 3.32Å
110	R	81.8	Confident	92.9	Very high	211 Å²	211	45.5 Å²	45.5	80%	0.796	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.6	175.4	-61.3	-177.7	-179.9	173.8	0.2	113.6	N108	N108-R110 PolarHBondContact O-N 3.09Å; N108-R110 WeakPolarHBondContact OD1-CB 3.49Å; N108-R110 PolarHBondContact OD1-N 2.82Å
111	L	86.3	Confident	92.7	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.147	26%	0.256	C	S	.	.			trans	-95.8	101	-177.5	-174.8	161.3	0	0	0	107.5	F88 N108 A109 L116	F88-L111 HydrophobicContact CZ-CD1 4.5Å; N108-L111 HydrophobicContact CB-CB 4.16Å; N108-L111 VanDerWaalsContact O-CB 3.27Å; N108-L111 WeakPolarHBondContact O-CB 3.47Å; N108-L111 PolarHBondContact O-N 3.44Å; A109-L111 VanDerWaalsContact C-N 3.32Å; L111-L116 HydrophobicContact CD1-CD2 4.12Å; L111-L116 HydrophobicContact CD2-CD1 3.58Å; L111-L116 HydrophobicContact CD2-CD2 3.63Å; L111-L116 HydrophobicContact CD2-CG 3.63Å; L111-L116 HydrophobicContact CG-CD2 3.98Å; L111-L116 HydrophobicContact CG-CG 4.45Å
112	H	91.7	Very high	92.4	Very high	109 Å²	109	49 Å²	49	51%	0.505	27%	0.269	S	S	.	.			trans	-81.7	143.5	175.2	-68.8	-76.6	0	0	0	109.7	T114 D115	H112-T114 PolarHBondContact O-N 3.03Å; H112-T114 VanDerWaalsContact O-N 3.09Å; H112-D115 PolarHBondContact N-OD2 2.82Å; H112-D115 WeakPolarHBondContact O-CB 3.28Å; H112-D115 PolarHBondContact O-N 2.82Å
113	P	90.6	Very high	92.2	Very high	37 Å²	37	51 Å²	51	24%	0.24	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-52.6	-33.5	176.5	-29	35.9	0	0	0	113.4	D115 L116 V133 A136	P113-D115 PolarHBondContact O-N 3.39Å; P113-L116 WeakPolarHBondContact O-CB 3.46Å; P113-L116 PolarHBondContact O-N 3.13Å; P113-V133 CarbonylContact C-O 3.58Å; P113-V133 HydrophobicContact CB-CG1 4.15Å; P113-V133 VanDerWaalsContact O-O 3.06Å; P113-A136 HydrophobicContact CG-CB 4.12Å
114	T	90.1	Very high	92	Very high	122 Å²	122	53.4 Å²	53.4	75%	0.748	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17	178	51.9	0	0	0	0	114.4	H112 L116	H112-T114 PolarHBondContact O-N 3.03Å; H112-T114 VanDerWaalsContact O-N 3.09Å; T114-L116 VanDerWaalsContact C-N 3.29Å
115	D	93.4	Very high	91.9	Very high	52 Å²	52	52 Å²	52	28%	0.278	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-84.8	-6.6	173.1	-62.9	-50.4	0	0	0	112.9	Y83 K84 H112 P113	Y83-D115 HydrophobicContact CD2-CB 3.81Å; Y83-D115 HydrophobicContact CE2-CB 3.59Å; K84-D115 PolarHBondContact N-O 3.17Å; H112-D115 PolarHBondContact N-OD2 2.82Å; H112-D115 WeakPolarHBondContact O-CB 3.28Å; H112-D115 PolarHBondContact O-N 2.82Å; P113-D115 PolarHBondContact O-N 3.39Å
116	L	96.9	Very high	91.8	Very high	3 Å²	3	55 Å²	55	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.6	-176.4	-59.2	-178.6	0	0	0	112.2	L82 Y83 F88 V106 L111 P113 T114 V133	L82-L116 WeakPolarHBondContact O-CA 3.29Å; Y83-L116 HydrophobicContact CD2-CD2 4.31Å; F88-L116 HydrophobicContact CE1-CD2 3.96Å; F88-L116 HydrophobicContact CZ-CD2 3.99Å; V106-L116 HydrophobicContact CG1-CD1 4.09Å; L111-L116 HydrophobicContact CD1-CD2 4.12Å; L111-L116 HydrophobicContact CD2-CD1 3.58Å; L111-L116 HydrophobicContact CD2-CD2 3.63Å; L111-L116 HydrophobicContact CD2-CG 3.63Å; L111-L116 HydrophobicContact CG-CD2 3.98Å; L111-L116 HydrophobicContact CG-CG 4.45Å; P113-L116 WeakPolarHBondContact O-CB 3.46Å; P113-L116 PolarHBondContact O-N 3.13Å; T114-L116 VanDerWaalsContact C-N 3.29Å; L116-V133 HydrophobicContact CB-CB 3.99Å; L116-V133 HydrophobicContact CB-CG2 3.73Å; L116-V133 HydrophobicContact CD1-CG2 4.41Å; L116-V133 PolarHBondContact O-N 3.03Å; L116-V133 VanDerWaalsContact O-N 3.13Å
117	E	97.4	Very high	91.8	Very high	64 Å²	64	60.7 Å²	60.7	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.6	165.2	-56.7	174.1	100.6	0	0	109.6	L82 I131	L82-E117 HydrophobicContact CB-CB 4.26Å; L82-E117 PolarHBondContact N-O 3.08Å; L82-E117 PolarHBondContact O-N 2.95Å; E117-I131 CarbonylContact C-O 3.51Å; E117-I131 WeakPolarHBondContact CA-O 3.27Å
118	V	97.6	Very high	91.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.7	170.6	175.3	0	0	0	0	108.1	V79 A80 L81 V99 Y120 K130 I131 V133 L155 L157	V79-V118 HydrophobicContact CB-CG1 3.36Å; V79-V118 HydrophobicContact CG1-CG1 3.75Å; V79-V118 HydrophobicContact CG2-CG1 3.54Å; A80-V118 CarbonylContact O-C 3.58Å; A80-V118 WeakPolarHBondContact O-CA 3.35Å; L81-V118 HydrophobicContact CD1-CG2 4.45Å; V99-V118 HydrophobicContact CG2-CG1 4.28Å; V118-Y120 HydrophobicContact CG1-CD1 4.38Å; V118-K130 WeakPolarHBondContact O-CA 3.21Å; V118-I131 HydrophobicContact CB-CG2 3.88Å; V118-I131 HydrophobicContact CG1-CG2 4.48Å; V118-I131 PolarHBondContact N-O 3.41Å; V118-I131 PolarHBondContact O-N 3.5Å; V118-V133 HydrophobicContact CG2-CG2 3.86Å; V118-L155 HydrophobicContact CG2-CD1 4.45Å; V118-L157 HydrophobicContact CB-CD2 4.06Å; V118-L157 HydrophobicContact CG1-CD2 4.47Å; V118-L157 HydrophobicContact CG2-CD2 3.77Å
119	A	96.8	Very high	92.2	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.4	173	0	0	0	0	0	111.4	V79 A80 L82 R129 K130	V79-A119 CarbonylContact C-O 3.55Å; V79-A119 WeakPolarHBondContact CA-O 3.41Å; A80-A119 HydrophobicContact CB-CB 4.17Å; A80-A119 PolarHBondContact N-O 2.96Å; A80-A119 PolarHBondContact O-N 3.32Å; L82-A119 HydrophobicContact CD1-CB 3.94Å; L82-A119 HydrophobicContact CG-CB 4.26Å; A119-R129 CarbonylContact C-O 3.54Å; A119-R129 WeakPolarHBondContact CA-O 3.37Å; A119-K130 HydrophobicContact CB-CG 4.4Å
120	Y	95.8	Very high	93.1	Very high	10 Å²	10	61 Å²	61	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	172.4	-174.5	61.8	-79.1	0	0	0	112.2	V118 N122 G128 R129 I131 T161 D164 I168	V118-Y120 HydrophobicContact CG1-CD1 4.38Å; Y120-N122 VanDerWaalsContact C-N 3.32Å; Y120-N122 PolarHBondContact O-N 2.8Å; Y120-G128 CarbonylContact O-C 3.53Å; Y120-G128 VanDerWaalsContact O-CA 3.28Å; Y120-G128 WeakPolarHBondContact O-CA 3.37Å; Y120-R129 VanDerWaalsContact CD1-O 3.29Å; Y120-R129 WeakPolarHBondContact CD1-O 3.16Å; Y120-R129 HydrophobicContact CE1-CB 4.13Å; Y120-R129 WeakPolarHBondContact CE1-O 3.05Å; Y120-R129 HydrophobicContact CE2-CB 4.15Å; Y120-R129 PolarHBondContact N-O 2.81Å; Y120-R129 PolarHBondContact O-N 2.83Å; Y120-I131 HydrophobicContact CD1-CG2 4.17Å; Y120-I131 HydrophobicContact CE1-CB 3.94Å; Y120-I131 HydrophobicContact CE1-CG2 3.5Å; Y120-T161 HydrophobicContact CD2-CG2 4.2Å; Y120-T161 HydrophobicContact CE1-CG2 4.33Å; Y120-T161 HydrophobicContact CE2-CG2 3.67Å; Y120-D164 HydrophobicContact CE2-CB 4.39Å; Y120-D164 VanDerWaalsContact CE2-OD2 3.27Å; Y120-D164 WeakPolarHBondContact CE2-OD2 3.25Å; Y120-D164 PolarHBondContact OH-OD2 2.85Å; Y120-I168 HydrophobicContact CD2-CD1 3.7Å; Y120-I168 HydrophobicContact CD2-CG1 4.27Å; Y120-I168 HydrophobicContact CD2-CG2 4.12Å; Y120-I168 HydrophobicContact CE2-CD1 3.82Å
121	G	93.3	Very high	93.8	Very high	24 Å²	24	51.9 Å²	51.9	25%	0.247	27%	0.265	C	S	.	.	S	Bend	trans	74.9	16.6	175.1	0	0	0	0	0	115	L72	L72-G121 WeakPolarHBondContact CD2-O 3.37Å
122	N	93.4	Very high	94.4	Very high	51 Å²	51	51.9 Å²	51.9	27%	0.273	27%	0.271	S	S	.	.	S	Bend	trans	-150.6	151.1	173.4	-158.5	-71.9	0	0	0	110.1	Y120 E124 K127	Y120-N122 VanDerWaalsContact C-N 3.32Å; Y120-N122 PolarHBondContact O-N 2.8Å; N122-E124 VanDerWaalsContact C-N 3.31Å; N122-E124 PolarHBondContact OD1-N 2.99Å; N122-K127 HydrophobicContact CB-CB 4.49Å
123	T	93	Very high	94.6	Very high	40 Å²	40	46.9 Å²	46.9	25%	0.245	25%	0.249	C	C	.	.	S	Bend	trans	-73	-26.3	172.9	54.6	0	0	0	0	111.7	A70 L72 W189 V201 L202	A70-T123 WeakPolarHBondContact O-CG2 3.24Å; L72-T123 HydrophobicContact CB-CG2 4.03Å; T123-W189 PolarHBondContact O-NE1 3.03Å; T123-V201 CarbonylContact O-C 3.46Å; T123-V201 WeakPolarHBondContact O-CA 3.27Å; T123-L202 WeakPolarHBondContact O-CB 3.4Å; T123-L202 PolarHBondContact O-N 2.84Å
124	E	94	Very high	94.9	Very high	52 Å²	52	47.9 Å²	47.9	24%	0.243	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-94.4	114.1	169.6	-69.9	176.5	-112.4	0	0	110.4	N122 T126 K127 G128 P200 V201	N122-E124 VanDerWaalsContact C-N 3.31Å; N122-E124 PolarHBondContact OD1-N 2.99Å; E124-T126 PolarHBondContact O-N 2.96Å; E124-T126 VanDerWaalsContact O-N 3.12Å; E124-K127 HydrophobicContact CB-CB 4.2Å; E124-K127 HydrophobicContact CB-CD 4.09Å; E124-K127 HydrophobicContact CB-CG 4.15Å; E124-K127 CarbonylContact O-C 3.57Å; E124-K127 PolarHBondContact O-N 2.83Å; E124-K127 IonicContact OE1-NZ 2.59Å; E124-K127 PolarHBondContact OE1-NZ 2.85Å; E124-K127 WeakPolarHBondContact OE2-CE 3.27Å; E124-K127 IonicContact OE2-NZ 3.46Å; E124-K127 PolarHBondContact OE2-NZ 2.84Å; E124-G128 PolarHBondContact O-N 2.86Å; E124-P200 VanDerWaalsContact CA-O 3.27Å; E124-P200 WeakPolarHBondContact CA-O 3.49Å; E124-V201 HydrophobicContact CG-CG2 3.82Å
125	W	92.3	Very high	95.1	Very high	43 Å²	43	47 Å²	47	16%	0.163	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61	-26.4	-177.1	61.4	-98.2	0	0	0	113	A80 L82 F87 K127 G128 W189 S199	A80-W125 HydrophobicContact CB-CB 3.62Å; A80-W125 HydrophobicContact CB-CG 4.46Å; L82-W125 HydrophobicContact CD2-CE3 3.85Å; L82-W125 HydrophobicContact CD2-CZ3 4.2Å; F87-W125 HydrophobicContact CB-CD2 3.87Å; F87-W125 HydrophobicContact CB-CE3 3.98Å; F87-W125 HydrophobicContact CB-CH2 4.04Å; F87-W125 HydrophobicContact CB-CZ2 3.91Å; F87-W125 HydrophobicContact CB-CZ3 4.06Å; F87-W125 HydrophobicContact CG-CD2 4.44Å; W125-K127 VanDerWaalsContact C-N 3.27Å; W125-K127 PolarHBondContact O-N 3.38Å; W125-G128 PolarHBondContact O-N 2.97Å; W125-W189 HydrophobicContact CB-CD2 4.25Å; W125-W189 HydrophobicContact CB-CZ2 4.25Å; W125-W189 AromaticContact CD1-CD1 3.49Å; W125-W189 VanDerWaalsContact CD1-CD1 3.49Å; W125-W189 AromaticContact CD1-CG 3.61Å; W125-W189 AromaticContact CD1-NE1 3.88Å; W125-W189 HydrophobicContact CG-CG 4.44Å; W125-S199 PolarHBondContact NE1-O 2.84Å
126	T	94	Very high	95.3	Very high	73 Å²	73	46 Å²	46	45%	0.448	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-69	-24.4	175.1	49.9	0	0	0	0	113.3	E124	E124-T126 PolarHBondContact O-N 2.96Å; E124-T126 VanDerWaalsContact O-N 3.12Å
127	K	94.2	Very high	95.2	Very high	128 Å²	128	47.1 Å²	47.1	56%	0.557	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-104.5	1.9	-179.8	-60.1	178.9	-176.1	164.8	0	112.4	N122 E124 W125	N122-K127 HydrophobicContact CB-CB 4.49Å; E124-K127 HydrophobicContact CB-CB 4.2Å; E124-K127 HydrophobicContact CB-CD 4.09Å; E124-K127 HydrophobicContact CB-CG 4.15Å; E124-K127 CarbonylContact O-C 3.57Å; E124-K127 PolarHBondContact O-N 2.83Å; E124-K127 IonicContact OE1-NZ 2.59Å; E124-K127 PolarHBondContact OE1-NZ 2.85Å; E124-K127 WeakPolarHBondContact OE2-CE 3.27Å; E124-K127 IonicContact OE2-NZ 3.46Å; E124-K127 PolarHBondContact OE2-NZ 2.84Å; W125-K127 VanDerWaalsContact C-N 3.27Å; W125-K127 PolarHBondContact O-N 3.38Å
128	G	92.6	Very high	95.2	Very high	11 Å²	11	47 Å²	47	11%	0.113	25%	0.253	C	S	.	.	S	Bend	trans	-68.3	154.4	176	0	0	0	0	0	112.1	Y120 E124 W125	Y120-G128 CarbonylContact O-C 3.53Å; Y120-G128 VanDerWaalsContact O-CA 3.28Å; Y120-G128 WeakPolarHBondContact O-CA 3.37Å; E124-G128 PolarHBondContact O-N 2.86Å; W125-G128 PolarHBondContact O-N 2.97Å
129	R	94.8	Very high	95.2	Very high	118 Å²	118	47.5 Å²	47.5	45%	0.445	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.7	165.9	-58.9	175.9	62.8	132.3	11.5	108.5	A119 Y120 D164	A119-R129 CarbonylContact C-O 3.54Å; A119-R129 WeakPolarHBondContact CA-O 3.37Å; Y120-R129 VanDerWaalsContact CD1-O 3.29Å; Y120-R129 WeakPolarHBondContact CD1-O 3.16Å; Y120-R129 HydrophobicContact CE1-CB 4.13Å; Y120-R129 WeakPolarHBondContact CE1-O 3.05Å; Y120-R129 HydrophobicContact CE2-CB 4.15Å; Y120-R129 PolarHBondContact N-O 2.81Å; Y120-R129 PolarHBondContact O-N 2.83Å; R129-D164 IonicContact CZ-OD1 3.52Å; R129-D164 IonicContact CZ-OD2 3.99Å; R129-D164 IonicContact NE-OD1 3.45Å; R129-D164 IonicContact NE-OD2 2.73Å; R129-D164 PolarHBondContact NE-OD2 2.9Å; R129-D164 VanDerWaalsContact NE-OD2 3.08Å; R129-D164 IonicContact NH1-OD1 3.85Å; R129-D164 PolarHBondContact NH1-OD1 3.2Å; R129-D164 IonicContact NH1-OD2 2.94Å; R129-D164 IonicContact NH2-OD1 2.97Å; R129-D164 PolarHBondContact NH2-OD1 2.96Å; R129-D164 IonicContact NH2-OD2 2.77Å; R129-D164 PolarHBondContact NH2-OD2 2.84Å; R129-D164 VanDerWaalsContact NH2-OD2 3.14Å
130	K	95.6	Very high	95.2	Very high	105 Å²	105	52.3 Å²	52.3	46%	0.457	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.3	-178.7	-62.9	-178.2	-177.1	-178.7	0	111.3	L82 V118 A119	L82-K130 HydrophobicContact CD1-CD 4.13Å; L82-K130 HydrophobicContact CD1-CG 4.44Å; V118-K130 WeakPolarHBondContact O-CA 3.21Å; A119-K130 HydrophobicContact CB-CG 4.4Å
131	I	96.5	Very high	95.2	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.097	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.6	175.3	-170	162.2	0	0	0	109.1	E117 V118 Y120 L157 G159	E117-I131 CarbonylContact C-O 3.51Å; E117-I131 WeakPolarHBondContact CA-O 3.27Å; V118-I131 HydrophobicContact CB-CG2 3.88Å; V118-I131 HydrophobicContact CG1-CG2 4.48Å; V118-I131 PolarHBondContact N-O 3.41Å; V118-I131 PolarHBondContact O-N 3.5Å; Y120-I131 HydrophobicContact CD1-CG2 4.17Å; Y120-I131 HydrophobicContact CE1-CB 3.94Å; Y120-I131 HydrophobicContact CE1-CG2 3.5Å; I131-L157 HydrophobicContact CD1-CB 3.94Å; I131-L157 HydrophobicContact CD1-CD1 4.34Å; I131-L157 HydrophobicContact CG1-CB 4.25Å; I131-L157 HydrophobicContact CG2-CB 4.45Å; I131-L157 HydrophobicContact CG2-CD1 4.08Å; I131-L157 HydrophobicContact CG2-CD2 3.96Å; I131-L157 HydrophobicContact CG2-CG 4.38Å; I131-G159 VanDerWaalsContact CD1-CA 3.42Å
132	G	97.5	Very high	95.4	Very high	27 Å²	27	56.9 Å²	56.9	28%	0.278	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	161.7	177.4	0	0	0	0	0	112.5	A158	G132-A158 WeakPolarHBondContact O-CB 3.28Å; G132-A158 PolarHBondContact O-N 3.25Å
133	V	97.4	Very high	95.3	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.9	173	-178.5	0	0	0	0	110	P113 L116 V118 K135 L155	P113-V133 CarbonylContact C-O 3.58Å; P113-V133 HydrophobicContact CB-CG1 4.15Å; P113-V133 VanDerWaalsContact O-O 3.06Å; L116-V133 HydrophobicContact CB-CB 3.99Å; L116-V133 HydrophobicContact CB-CG2 3.73Å; L116-V133 HydrophobicContact CD1-CG2 4.41Å; L116-V133 PolarHBondContact O-N 3.03Å; L116-V133 VanDerWaalsContact O-N 3.13Å; V118-V133 HydrophobicContact CG2-CG2 3.86Å; V133-K135 WeakPolarHBondContact CG1-O 3.28Å; V133-L155 HydrophobicContact CG1-CB 3.89Å; V133-L155 HydrophobicContact CG1-CD2 4.31Å; V133-L155 HydrophobicContact CG2-CB 4.48Å; V133-L155 HydrophobicContact CG2-CD1 4.29Å
134	A	95.9	Very high	94.7	Very high	58 Å²	58	63.6 Å²	63.6	48%	0.479	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-34.4	178.7	0	0	0	0	0	112.8	K156 A158	A134-K156 PolarHBondContact N-O 2.94Å; A134-A158 HydrophobicContact CB-CB 4.34Å
135	K	95.7	Very high	94.1	Very high	103 Å²	103	66.4 Å²	66.4	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	141.1	-178.8	-174.6	178.5	178.4	-175.4	0	110.3	V133 T137 L155 K156 M298	V133-K135 WeakPolarHBondContact CG1-O 3.28Å; K135-T137 WeakPolarHBondContact CE-OG1 3.37Å; K135-L155 CarbonylContact O-C 3.33Å; K135-L155 WeakPolarHBondContact O-CA 3.41Å; K135-K156 HydrophobicContact CB-CB 4.1Å; K135-K156 PolarHBondContact N-O 2.92Å; K135-K156 PolarHBondContact O-N 2.96Å; K135-M298 HydrophobicContact CD-CE 4.47Å
136	A	95.9	Very high	93.7	Very high	32 Å²	32	68.1 Å²	68.1	26%	0.264	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.5	165.8	0	0	0	0	0	109.1	P113 L154 L155	P113-A136 HydrophobicContact CG-CB 4.12Å; A136-L154 CarbonylContact C-O 3.45Å; A136-L154 WeakPolarHBondContact CA-O 3.47Å; A136-L155 HydrophobicContact CB-CD2 3.62Å
137	T	95.8	Very high	93.3	Very high	26 Å²	26	69.7 Å²	69.7	16%	0.16	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124	175.2	-56.7	0	0	0	0	109	K135 A153 L154 W290 M298	K135-T137 WeakPolarHBondContact CE-OG1 3.37Å; T137-A153 CarbonylContact O-C 3.42Å; T137-A153 VanDerWaalsContact O-CA 3.23Å; T137-A153 WeakPolarHBondContact O-CA 3.38Å; T137-A153 WeakPolarHBondContact O-CB 3.41Å; T137-L154 PolarHBondContact N-O 3.26Å; T137-L154 PolarHBondContact O-N 3.48Å; T137-W290 HydrophobicContact CG2-CZ2 4.14Å; T137-M298 HydrophobicContact CG2-CE 4.35Å; T137-M298 WeakPolarHBondContact OG1-CE 3.41Å
138	I	96.8	Very high	93	Very high	60 Å²	60	64.6 Å²	64.6	31%	0.308	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.7	-177.8	-67.8	163	0	0	0	108.6	A103 V106 A107 F142 A153	A103-I138 HydrophobicContact CB-CG1 4.49Å; A103-I138 HydrophobicContact CB-CG2 3.74Å; V106-I138 HydrophobicContact CG2-CD1 4.43Å; V106-I138 HydrophobicContact CG2-CG1 4.1Å; A107-I138 HydrophobicContact CB-CD1 3.89Å; I138-F142 HydrophobicContact CG2-CB 3.64Å; I138-F142 HydrophobicContact CG2-CD1 3.89Å; I138-F142 HydrophobicContact CG2-CG 3.99Å; I138-A153 HydrophobicContact CG1-CB 4.13Å
139	H	98	Very high	93.2	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.056	36%	0.362	C	S	.	.			trans	-56.3	129.8	174.2	-170.8	-79.8	0	0	0	109.9	L141 F142 Y150 A152 W290	H139-L141 PolarHBondContact ND1-N 2.79Å; H139-L141 VanDerWaalsContact ND1-N 3.15Å; H139-L141 PolarHBondContact O-N 3.24Å; H139-L141 VanDerWaalsContact O-N 3.11Å; H139-F142 WeakPolarHBondContact O-CB 3.33Å; H139-F142 PolarHBondContact O-N 2.99Å; H139-Y150 AromaticContact CE1-CD1 3.39Å; H139-Y150 WeakPolarHBondContact CE1-CD1 3.32Å; H139-Y150 AromaticContact CE1-CG 3.8Å; H139-Y150 WeakPolarHBondContact ND1-CB 3.47Å; H139-Y150 AromaticContact ND1-CD1 3.86Å; H139-Y150 AromaticContact ND1-CG 3.82Å; H139-Y150 AromaticContact NE2-CD1 3.89Å; H139-A152 HydrophobicContact CB-CB 4.43Å; H139-A152 WeakPolarHBondContact CB-O 3.46Å; H139-A152 PolarHBondContact N-O 3.05Å; H139-W290 HydrophobicContact CB-CD2 4.31Å; H139-W290 HydrophobicContact CB-CE3 4.28Å; H139-W290 HydrophobicContact CB-CH2 4.27Å; H139-W290 HydrophobicContact CB-CZ2 4.3Å; H139-W290 HydrophobicContact CB-CZ3 4.26Å; H139-W290 AromaticContact CD2-CD2 3.48Å; H139-W290 VanDerWaalsContact CD2-CD2 3.48Å; H139-W290 AromaticContact CD2-CE3 3.53Å; H139-W290 AromaticContact CD2-CG 3.59Å
140	P	96.4	Very high	93.3	Very high	102 Å²	102	61.2 Å²	61.2	66%	0.662	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.4	-171.1	24.6	-35.5	0	0	0	114.1
141	L	96.8	Very high	93.4	Very high	98 Å²	98	56.2 Å²	56.2	51%	0.513	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	8.7	175.6	-55	-179	0	0	0	113.8	H139 K143 Y150	H139-L141 PolarHBondContact ND1-N 2.79Å; H139-L141 VanDerWaalsContact ND1-N 3.15Å; H139-L141 PolarHBondContact O-N 3.24Å; H139-L141 VanDerWaalsContact O-N 3.11Å; L141-K143 PolarHBondContact O-N 3.18Å; L141-Y150 HydrophobicContact CB-CD1 4.33Å; L141-Y150 HydrophobicContact CB-CD2 3.54Å; L141-Y150 HydrophobicContact CB-CE2 3.94Å; L141-Y150 HydrophobicContact CB-CG 3.77Å; L141-Y150 HydrophobicContact CD1-CD2 4.38Å; L141-Y150 HydrophobicContact CD1-CE1 4.11Å; L141-Y150 HydrophobicContact CD1-CE2 3.98Å
142	F	97.2	Very high	93.5	Very high	31 Å²	31	55.3 Å²	55.3	14%	0.136	33%	0.325	C	S	.	.			trans	-61.5	127.2	176.3	175	-115.3	0	0	0	110.8	A103 H104 A107 I138 H139 T144 P148 S149 D151	A103-F142 HydrophobicContact CB-CB 4.2Å; A103-F142 HydrophobicContact CB-CD1 3.83Å; A103-F142 HydrophobicContact CB-CD2 3.48Å; A103-F142 VanDerWaalsContact CB-CD2 3.48Å; A103-F142 HydrophobicContact CB-CE1 4.02Å; A103-F142 HydrophobicContact CB-CE2 3.66Å; A103-F142 HydrophobicContact CB-CG 3.55Å; A103-F142 HydrophobicContact CB-CZ 3.93Å; H104-F142 HydrophobicContact CB-CZ 4.09Å; A107-F142 HydrophobicContact CB-CD1 4.36Å; A107-F142 HydrophobicContact CB-CE1 3.67Å; A107-F142 HydrophobicContact CB-CZ 4.45Å; I138-F142 HydrophobicContact CG2-CB 3.64Å; I138-F142 HydrophobicContact CG2-CD1 3.89Å; I138-F142 HydrophobicContact CG2-CG 3.99Å; H139-F142 WeakPolarHBondContact O-CB 3.33Å; H139-F142 PolarHBondContact O-N 2.99Å; F142-T144 HydrophobicContact CD1-CG2 4.19Å; F142-T144 HydrophobicContact CE1-CG2 3.98Å; F142-P148 HydrophobicContact CE2-CB 3.68Å; F142-P148 HydrophobicContact CZ-CB 4.39Å; F142-S149 WeakPolarHBondContact CA-O 3.42Å; F142-D151 HydrophobicContact CD2-CB 4.27Å; F142-D151 HydrophobicContact CE2-CB 4.08Å; F142-D151 WeakPolarHBondContact CE2-OD1 3.38Å
143	K	90.7	Very high	93.6	Very high	111 Å²	111	54 Å²	54	48%	0.483	31%	0.312	S	S	.	.			trans	-92.4	122.6	176.4	-68.4	-174.5	-171.7	163.4	0	111.1	L141 S149	L141-K143 PolarHBondContact O-N 3.18Å; K143-S149 WeakPolarHBondContact CD-OG 3.47Å; K143-S149 PolarHBondContact N-O 2.91Å; K143-S149 PolarHBondContact NZ-OG 3.49Å
144	T	81.1	Confident	93.6	Very high	121 Å²	121	53.8 Å²	53.8	74%	0.742	31%	0.31	S	S	*	.	S	Bend	trans	-82.9	-15.7	173.7	53.9	0	0	0	0	113.2	F142	F142-T144 HydrophobicContact CD1-CG2 4.19Å; F142-T144 HydrophobicContact CE1-CG2 3.98Å
145	T	81.9	Confident	93.7	Very high	112 Å²	112	51 Å²	51	69%	0.687	29%	0.287	S	S	*	.	S	Bend	trans	-116.8	136.1	179.6	55.5	0	0	0	0	110.5
146	G	82	Confident	93.8	Very high	78 Å²	78	49.3 Å²	49.3	80%	0.804	28%	0.28	S	S	*	.	S	Bend	trans	82.1	-148.3	-176.4	0	0	0	0	0	112.2
147	R	86	Confident	93.8	Very high	107 Å²	107	47.9 Å²	47.9	40%	0.404	27%	0.268	S	S	.	.	S	Bend	trans	-79.7	143	175.1	-64.6	-63.1	176.1	-179.9	-1.6	110.4	S149 L224 M229 W268	R147-S149 VanDerWaalsContact C-N 3.32Å; R147-S149 PolarHBondContact O-N 2.88Å; R147-L224 HydrophobicContact CG-CB 4.19Å; R147-L224 HydrophobicContact CG-CD2 4.21Å; R147-M229 HydrophobicContact CB-CE 4.28Å; R147-W268 HydrophobicContact CB-CZ2 4.25Å; R147-W268 HydrophobicContact CG-CH2 4.16Å; R147-W268 HydrophobicContact CG-CZ2 4.04Å
148	P	88.6	Confident	93.8	Very high	20 Å²	20	50 Å²	50	13%	0.13	29%	0.288	C	S	.	.			trans	-76.1	78	-167.8	33.2	-38.1	0	0	0	111.4	F142 D151 M229 W268	F142-P148 HydrophobicContact CE2-CB 3.68Å; F142-P148 HydrophobicContact CZ-CB 4.39Å; P148-D151 HydrophobicContact CB-CB 3.94Å; P148-D151 HydrophobicContact CG-CB 4.42Å; P148-D151 VanDerWaalsContact O-CB 3.29Å; P148-D151 WeakPolarHBondContact O-CB 3.39Å; P148-M229 WeakPolarHBondContact O-CE 3.47Å; P148-W268 HydrophobicContact CG-CB 4.46Å; P148-W268 VanDerWaalsContact CG-CD1 3.49Å; P148-W268 HydrophobicContact CG-CG 4.12Å
149	S	96	Very high	93.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	144.1	171.7	-52.3	0	0	0	0	110.2	F142 K143 R147 D151 D226	F142-S149 WeakPolarHBondContact CA-O 3.42Å; K143-S149 WeakPolarHBondContact CD-OG 3.47Å; K143-S149 PolarHBondContact N-O 2.91Å; K143-S149 PolarHBondContact NZ-OG 3.49Å; R147-S149 VanDerWaalsContact C-N 3.32Å; R147-S149 PolarHBondContact O-N 2.88Å; S149-D151 VanDerWaalsContact C-N 3.25Å; S149-D151 PolarHBondContact O-N 2.7Å; S149-D226 VanDerWaalsContact CB-OD2 3.23Å; S149-D226 WeakPolarHBondContact CB-OD2 3.17Å; S149-D226 PolarHBondContact OG-OD2 3.03Å
150	Y	97.9	Very high	93.6	Very high	55 Å²	55	48.6 Å²	48.6	22%	0.216	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	43.1	-178.8	-58.7	-90.6	0	0	0	113.5	H139 L141 A152 S228 V287	H139-Y150 AromaticContact CE1-CD1 3.39Å; H139-Y150 WeakPolarHBondContact CE1-CD1 3.32Å; H139-Y150 AromaticContact CE1-CG 3.8Å; H139-Y150 WeakPolarHBondContact ND1-CB 3.47Å; H139-Y150 AromaticContact ND1-CD1 3.86Å; H139-Y150 AromaticContact ND1-CG 3.82Å; H139-Y150 AromaticContact NE2-CD1 3.89Å; L141-Y150 HydrophobicContact CB-CD1 4.33Å; L141-Y150 HydrophobicContact CB-CD2 3.54Å; L141-Y150 HydrophobicContact CB-CE2 3.94Å; L141-Y150 HydrophobicContact CB-CG 3.77Å; L141-Y150 HydrophobicContact CD1-CD2 4.38Å; L141-Y150 HydrophobicContact CD1-CE1 4.11Å; L141-Y150 HydrophobicContact CD1-CE2 3.98Å; Y150-A152 PolarHBondContact O-N 3.29Å; Y150-S228 PolarHBondContact N-OG 2.92Å; Y150-V287 HydrophobicContact CD1-CG1 3.94Å
151	D	97.9	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.			trans	-72.8	73.3	-178.5	-170.2	23.6	0	0	0	112.5	A103 H104 F142 P148 S149 S267 T282	A103-D151 WeakPolarHBondContact CA-OD1 3.37Å; A103-D151 WeakPolarHBondContact CB-OD1 3.44Å; A103-D151 PolarHBondContact N-OD1 3.14Å; H104-D151 IonicContact CE1-OD2 3.97Å; H104-D151 IonicContact CG-OD1 3.53Å; H104-D151 IonicContact CG-OD2 3.86Å; H104-D151 PolarHBondContact N-OD1 2.04Å; H104-D151 IonicContact ND1-OD1 3.91Å; H104-D151 PolarHBondContact ND1-OD1 3.24Å; H104-D151 IonicContact ND1-OD2 3.51Å; H104-D151 PolarHBondContact ND1-OD2 3.21Å; F142-D151 HydrophobicContact CD2-CB 4.27Å; F142-D151 HydrophobicContact CE2-CB 4.08Å; F142-D151 WeakPolarHBondContact CE2-OD1 3.38Å; P148-D151 HydrophobicContact CB-CB 3.94Å; P148-D151 HydrophobicContact CG-CB 4.42Å; P148-D151 VanDerWaalsContact O-CB 3.29Å; P148-D151 WeakPolarHBondContact O-CB 3.39Å; S149-D151 VanDerWaalsContact C-N 3.25Å; S149-D151 PolarHBondContact O-N 2.7Å; D151-S267 WeakPolarHBondContact CB-OG 3.42Å; D151-S267 WeakPolarHBondContact OD2-CB 3.33Å; D151-S267 PolarHBondContact OD2-OG 3.01Å; D151-T282 WeakPolarHBondContact CB-OG1 3.2Å; D151-T282 PolarHBondContact O-OG1 2.89Å
152	A	98.6	Very high	92.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.254	C	S	.	.			trans	-138	137.4	178.3	0	0	0	0	0	111	T101 H139 Y150 I265 T282 V287 W290	T101-A152 WeakPolarHBondContact O-CA 3.37Å; H139-A152 HydrophobicContact CB-CB 4.43Å; H139-A152 WeakPolarHBondContact CB-O 3.46Å; H139-A152 PolarHBondContact N-O 3.05Å; Y150-A152 PolarHBondContact O-N 3.29Å; A152-I265 HydrophobicContact CB-CD1 3.93Å; A152-T282 HydrophobicContact CB-CG2 4.36Å; A152-V287 HydrophobicContact CB-CB 4.33Å; A152-V287 HydrophobicContact CB-CG1 4.18Å; A152-V287 HydrophobicContact CB-CG2 4.14Å; A152-W290 HydrophobicContact CB-CZ3 4.03Å
153	A	98.1	Very high	92	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.4	169.3	0	0	0	0	0	110.8	V100 T101 A103 V106 T137 I138	V100-A153 WeakPolarHBondContact CA-O 3.44Å; T101-A153 HydrophobicContact CG2-CB 4.1Å; T101-A153 PolarHBondContact N-O 3.44Å; T101-A153 PolarHBondContact O-N 2.92Å; A103-A153 HydrophobicContact CB-CB 4.43Å; V106-A153 HydrophobicContact CG2-CB 3.47Å; V106-A153 VanDerWaalsContact CG2-CB 3.47Å; T137-A153 CarbonylContact O-C 3.42Å; T137-A153 VanDerWaalsContact O-CA 3.23Å; T137-A153 WeakPolarHBondContact O-CA 3.38Å; T137-A153 WeakPolarHBondContact O-CB 3.41Å; I138-A153 HydrophobicContact CG1-CB 4.13Å
154	L	98.2	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.6	172.9	-69.9	176.9	0	0	0	110.3	I94 V99 V100 A136 T137 W290 I291 Q294	I94-L154 HydrophobicContact CD1-CD2 3.61Å; V99-L154 CarbonylContact O-C 3.58Å; V99-L154 WeakPolarHBondContact O-CA 3.45Å; V100-L154 HydrophobicContact CB-CD2 3.8Å; V100-L154 HydrophobicContact CG2-CD2 4Å; A136-L154 CarbonylContact C-O 3.45Å; A136-L154 WeakPolarHBondContact CA-O 3.47Å; T137-L154 PolarHBondContact N-O 3.26Å; T137-L154 PolarHBondContact O-N 3.48Å; L154-W290 HydrophobicContact CB-CH2 4.25Å; L154-W290 HydrophobicContact CD1-CH2 4.07Å; L154-W290 HydrophobicContact CD1-CZ2 4.46Å; L154-W290 HydrophobicContact CD1-CZ3 4.2Å; L154-W290 HydrophobicContact CG-CH2 3.71Å; L154-W290 HydrophobicContact CG-CZ2 4.46Å; L154-W290 HydrophobicContact CG-CZ3 3.94Å; L154-I291 HydrophobicContact CD1-CG2 4.31Å; L154-I291 HydrophobicContact CD2-CG1 4.49Å; L154-I291 HydrophobicContact CD2-CG2 4.29Å; L154-Q294 HydrophobicContact CD1-CB 3.31Å; L154-Q294 HydrophobicContact CD1-CG 3.82Å
155	L	97.8	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.2	174.9	-48.8	-177.9	0	0	0	108.7	L81 L98 V99 T101 V106 V118 V133 K135 A136	L81-L155 HydrophobicContact CD1-CD1 4.28Å; L81-L155 HydrophobicContact CD2-CD1 3.84Å; L81-L155 HydrophobicContact CG-CD1 3.98Å; L98-L155 WeakPolarHBondContact CA-O 3.22Å; V99-L155 HydrophobicContact CB-CB 4.22Å; V99-L155 HydrophobicContact CG1-CD1 4.45Å; V99-L155 PolarHBondContact N-O 3.11Å; V99-L155 PolarHBondContact O-N 3.15Å; T101-L155 HydrophobicContact CG2-CD1 4.16Å; T101-L155 HydrophobicContact CG2-CD2 4.42Å; T101-L155 HydrophobicContact CG2-CG 4.11Å; V106-L155 HydrophobicContact CG1-CD2 4.09Å; V106-L155 HydrophobicContact CG2-CD2 4.49Å; V118-L155 HydrophobicContact CG2-CD1 4.45Å; V133-L155 HydrophobicContact CG1-CB 3.89Å; V133-L155 HydrophobicContact CG1-CD2 4.31Å; V133-L155 HydrophobicContact CG2-CB 4.48Å; V133-L155 HydrophobicContact CG2-CD1 4.29Å; K135-L155 CarbonylContact O-C 3.33Å; K135-L155 WeakPolarHBondContact O-CA 3.41Å; A136-L155 HydrophobicContact CB-CD2 3.62Å
156	K	97.1	Very high	90.5	Very high	68 Å²	68	38.6 Å²	38.6	30%	0.296	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120	167.1	-173.4	178.1	-178	173.9	0	108.7	L98 A134 K135 M298	L98-K156 HydrophobicContact CD2-CB 4.17Å; L98-K156 HydrophobicContact CD2-CG 4.44Å; A134-K156 PolarHBondContact N-O 2.94Å; K135-K156 HydrophobicContact CB-CB 4.1Å; K135-K156 PolarHBondContact N-O 2.92Å; K135-K156 PolarHBondContact O-N 2.96Å; K156-M298 HydrophobicContact CB-SD 4.09Å; K156-M298 HydrophobicContact CD-CB 4.27Å; K156-M298 PolarHBondContact NZ-O 2.89Å
157	L	97.1	Very high	90.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	146.4	176.5	-54	-178.4	0	0	0	110.4	L93 R97 V99 V118 I131 G159 T161	L93-L157 HydrophobicContact CD2-CD1 3.99Å; R97-L157 WeakPolarHBondContact O-CG 3.44Å; R97-L157 PolarHBondContact O-N 2.99Å; V99-L157 HydrophobicContact CG2-CD1 4.3Å; V99-L157 HydrophobicContact CG2-CD2 3.89Å; V99-L157 HydrophobicContact CG2-CG 4.34Å; V118-L157 HydrophobicContact CB-CD2 4.06Å; V118-L157 HydrophobicContact CG1-CD2 4.47Å; V118-L157 HydrophobicContact CG2-CD2 3.77Å; I131-L157 HydrophobicContact CD1-CB 3.94Å; I131-L157 HydrophobicContact CD1-CD1 4.34Å; I131-L157 HydrophobicContact CG1-CB 4.25Å; I131-L157 HydrophobicContact CG2-CB 4.45Å; I131-L157 HydrophobicContact CG2-CD1 4.08Å; I131-L157 HydrophobicContact CG2-CD2 3.96Å; I131-L157 HydrophobicContact CG2-CG 4.38Å; L157-G159 PolarHBondContact O-N 3.4Å; L157-T161 HydrophobicContact CD1-CG2 3.87Å
158	A	96.3	Very high	90.9	Very high	69 Å²	69	34.4 Å²	34.4	57%	0.57	21%	0.213	S	C	*	.	S	Bend	trans	-72.6	-11.4	177.2	0	0	0	0	0	113.5	G132 A134	G132-A158 WeakPolarHBondContact O-CB 3.28Å; G132-A158 PolarHBondContact O-N 3.25Å; A134-A158 HydrophobicContact CB-CB 4.34Å
159	G	94.5	Very high	91.1	Very high	22 Å²	22	34.2 Å²	34.2	23%	0.227	21%	0.212	C	C	.	.	S	Bend	trans	-137.5	-164.5	174.6	0	0	0	0	0	111.2	I131 L157	I131-G159 VanDerWaalsContact CD1-CA 3.42Å; L157-G159 PolarHBondContact O-N 3.4Å
160	S	94.7	Very high	91.1	Very high	21 Å²	21	35 Å²	35	15%	0.147	22%	0.216	C	C	.	.			trans	-120.4	141.7	174.1	166.8	0	0	0	0	110.4	D96 S162	D96-S160 CarbonylContact O-C 3.32Å; D96-S160 WeakPolarHBondContact O-CA 3.38Å; D96-S160 PolarHBondContact OD2-OG 2.95Å; S160-S162 VanDerWaalsContact OG-CB 3.27Å; S160-S162 WeakPolarHBondContact OG-CB 3.4Å; S160-S162 PolarHBondContact OG-N 2.86Å; S160-S162 PolarHBondContact OG-OG 2.82Å; S160-S162 VanDerWaalsContact OG-OG 3.1Å
161	T	93.2	Very high	91.1	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.043	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-81	-1.9	173.3	69.2	0	0	0	0	112.6	L93 D96 Y120 L157 Q163 D164	L93-T161 HydrophobicContact CD1-CG2 4.33Å; L93-T161 HydrophobicContact CD2-CG2 4.06Å; D96-T161 WeakPolarHBondContact CA-OG1 3.07Å; D96-T161 PolarHBondContact O-N 2.77Å; D96-T161 PolarHBondContact O-OG1 3.4Å; Y120-T161 HydrophobicContact CD2-CG2 4.2Å; Y120-T161 HydrophobicContact CE1-CG2 4.33Å; Y120-T161 HydrophobicContact CE2-CG2 3.67Å; L157-T161 HydrophobicContact CD1-CG2 3.87Å; T161-Q163 PolarHBondContact O-N 3.1Å; T161-D164 VanDerWaalsContact O-CB 3.28Å; T161-D164 WeakPolarHBondContact O-CB 3.33Å; T161-D164 PolarHBondContact O-N 3.18Å
162	S	86.1	Confident	91.1	Very high	59 Å²	59	32.5 Å²	32.5	41%	0.413	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-65.8	-21.8	-174.6	76.9	0	0	0	0	113.7	S160 D164	S160-S162 VanDerWaalsContact OG-CB 3.27Å; S160-S162 WeakPolarHBondContact OG-CB 3.4Å; S160-S162 PolarHBondContact OG-N 2.86Å; S160-S162 PolarHBondContact OG-OG 2.82Å; S160-S162 VanDerWaalsContact OG-OG 3.1Å; S162-D164 PolarHBondContact O-N 2.92Å
163	Q	77.9	Confident	91.1	Very high	165 Å²	165	33.6 Å²	33.6	77%	0.771	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-80.8	-2.3	-178.3	-60.3	-72.3	-44.4	0	0	112.3	T161	T161-Q163 PolarHBondContact O-N 3.1Å
164	D	78.9	Confident	91.1	Very high	25 Å²	25	33.6 Å²	33.6	13%	0.134	21%	0.213	C	C	.	.	S	Bend	trans	-108	9	-152.8	-61.5	-8	0	0	0	114.9	Y120 R129 T161 S162 I168	Y120-D164 HydrophobicContact CE2-CB 4.39Å; Y120-D164 VanDerWaalsContact CE2-OD2 3.27Å; Y120-D164 WeakPolarHBondContact CE2-OD2 3.25Å; Y120-D164 PolarHBondContact OH-OD2 2.85Å; R129-D164 IonicContact CZ-OD1 3.52Å; R129-D164 IonicContact CZ-OD2 3.99Å; R129-D164 IonicContact NE-OD1 3.45Å; R129-D164 IonicContact NE-OD2 2.73Å; R129-D164 PolarHBondContact NE-OD2 2.9Å; R129-D164 VanDerWaalsContact NE-OD2 3.08Å; R129-D164 IonicContact NH1-OD1 3.85Å; R129-D164 PolarHBondContact NH1-OD1 3.2Å; R129-D164 IonicContact NH1-OD2 2.94Å; R129-D164 IonicContact NH2-OD1 2.97Å; R129-D164 PolarHBondContact NH2-OD1 2.96Å; R129-D164 IonicContact NH2-OD2 2.77Å; R129-D164 PolarHBondContact NH2-OD2 2.84Å; R129-D164 VanDerWaalsContact NH2-OD2 3.14Å; T161-D164 VanDerWaalsContact O-CB 3.28Å; T161-D164 WeakPolarHBondContact O-CB 3.33Å; T161-D164 PolarHBondContact O-N 3.18Å; S162-D164 PolarHBondContact O-N 2.92Å; D164-I168 HydrophobicContact CB-CD1 3.51Å
165	G	72.6	Confident	91	Very high	46 Å²	46	37.4 Å²	37.4	47%	0.474	23%	0.233	S	C	.	.			trans	103.6	154.3	177.8	0	0	0	0	0	112.9	I167 I168	G165-I167 PolarHBondContact O-N 2.8Å; G165-I168 PolarHBondContact O-N 2.8Å
166	A	71.9	Confident	90.9	Very high	63 Å²	63	45.6 Å²	45.6	52%	0.521	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.4	-172.4	0	0	0	0	0	114.9
167	I	84.4	Confident	90.9	Very high	78 Å²	78	45.4 Å²	45.4	40%	0.4	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-36.2	176.7	-62.6	174	0	0	0	110.2	L72 E73 P76 G165 T169	L72-I167 HydrophobicContact CD2-CG2 3.85Å; L72-I167 HydrophobicContact CG-CG2 4.01Å; E73-I167 HydrophobicContact CG-CG2 4.47Å; P76-I167 WeakPolarHBondContact CB-O 3.45Å; G165-I167 PolarHBondContact O-N 2.8Å; I167-T169 PolarHBondContact O-N 3.12Å
168	I	91.4	Very high	90.8	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.097	28%	0.278	C	S	.	.			trans	-82.4	110.9	-176.7	-59.9	155.1	0	0	0	108.4	L93 Y120 D164 G165	L93-I168 HydrophobicContact CD1-CG2 3.49Å; L93-I168 VanDerWaalsContact CD1-CG2 3.49Å; Y120-I168 HydrophobicContact CD2-CD1 3.7Å; Y120-I168 HydrophobicContact CD2-CG1 4.27Å; Y120-I168 HydrophobicContact CD2-CG2 4.12Å; Y120-I168 HydrophobicContact CE2-CD1 3.82Å; D164-I168 HydrophobicContact CB-CD1 3.51Å; G165-I168 PolarHBondContact O-N 2.8Å
169	T	93	Very high	90.8	Very high	17 Å²	17	47.5 Å²	47.5	10%	0.104	28%	0.279	C	S	.	.			trans	-139.8	146.3	-177.4	54.4	0	0	0	0	110.7	P76 W77 I167	P76-T169 CarbonylContact C-O 3.49Å; P76-T169 WeakPolarHBondContact CG-OG1 3.39Å; W77-T169 VanDerWaalsContact CA-O 3.27Å; W77-T169 WeakPolarHBondContact CA-O 3.42Å; W77-T169 WeakPolarHBondContact CB-O 3.49Å; W77-T169 PolarHBondContact N-O 3.43Å; I167-T169 PolarHBondContact O-N 3.12Å
170	P	96	Very high	91	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.123	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-72.5	156.2	-179.3	28.2	-32.8	0	0	0	112.2	C45 G46 L93	C45-P170 CarbonylContact C-O 3.57Å; C45-P170 WeakPolarHBondContact CA-O 3.39Å; C45-P170 HydrophobicContact CB-CB 4.36Å; C45-P170 HydrophobicContact CB-CG 3.9Å; C45-P170 WeakPolarHBondContact CB-O 3.44Å; G46-P170 PolarHBondContact N-O 3.45Å; L93-P170 HydrophobicContact CB-CB 4.41Å; L93-P170 CarbonylContact O-C 3.49Å; L93-P170 WeakPolarHBondContact O-CA 3.34Å; L93-P170 WeakPolarHBondContact O-CB 3.4Å
171	V	97.5	Very high	91.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-82.1	146.1	167	65.2	0	0	0	0	109.8	W77 L93 I94 I251 L262	W77-V171 HydrophobicContact CB-CB 4.06Å; W77-V171 HydrophobicContact CB-CG1 4.37Å; W77-V171 HydrophobicContact CD2-CB 3.59Å; W77-V171 HydrophobicContact CD2-CG2 4.14Å; W77-V171 HydrophobicContact CE3-CB 3.79Å; W77-V171 HydrophobicContact CE3-CG2 4.3Å; W77-V171 HydrophobicContact CG-CB 3.68Å; W77-V171 HydrophobicContact CG-CG1 4.26Å; L93-V171 PolarHBondContact O-N 3.23Å; I94-V171 HydrophobicContact CG2-CG1 4.21Å; V171-I251 HydrophobicContact CG2-CG2 3.96Å; V171-L262 HydrophobicContact CB-CB 4.43Å; V171-L262 HydrophobicContact CG1-CB 3.68Å; V171-L262 HydrophobicContact CG1-CD1 4.36Å; V171-L262 HydrophobicContact CG1-CD2 4.2Å; V171-L262 HydrophobicContact CG1-CG 4.3Å; V171-L262 HydrophobicContact CG2-CB 3.88Å
172	C	97.8	Very high	91.3	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.014	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-78	148.4	175.9	-62.3	0	0	0	0	111.7	C45 G46 I259 W260 E261 L262	C45-C172 HydrophobicContact CB-CB 4.1Å; C45-C172 WeakPolarHBondContact CB-SG 3.33Å; C45-C172 PolarHBondContact O-SG 3.07Å; C45-C172 WeakPolarHBondContact SG-CA 3.32Å; C45-C172 WeakPolarHBondContact SG-CB 3.24Å; C45-C172 CovalentContact SG-SG 2.04Å; C45-C172 PolarHBondContact SG-SG 3.14Å; G46-C172 PolarHBondContact N-SG 2.88Å; C172-I259 HydrophobicContact CB-CD1 3.93Å; C172-I259 VanDerWaalsContact SG-CD1 3.5Å; C172-W260 PolarHBondContact N-O 2.97Å; C172-E261 CarbonylContact O-C 3.52Å; C172-E261 VanDerWaalsContact O-CA 3.27Å; C172-E261 WeakPolarHBondContact O-CA 3.3Å; C172-L262 PolarHBondContact O-N 2.85Å
173	L	98.2	Very high	91.8	Very high	22 Å²	22	56.4 Å²	56.4	12%	0.115	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-77.7	142.2	168.4	-61.3	176.4	0	0	0	110.5	I94 R257 V284 K288 I291 V292 M295	I94-L173 HydrophobicContact CG2-CD2 4.07Å; L173-R257 PolarHBondContact O-NH1 3.08Å; L173-V284 HydrophobicContact CD2-CG1 4.15Å; L173-K288 HydrophobicContact CD1-CG 4.45Å; L173-I291 HydrophobicContact CD1-CB 4.37Å; L173-I291 HydrophobicContact CD1-CG2 3.63Å; L173-I291 HydrophobicContact CD2-CD1 4.34Å; L173-I291 HydrophobicContact CD2-CG2 4.37Å; L173-V292 HydrophobicContact CD1-CG2 4.13Å; L173-M295 HydrophobicContact CD1-SD 4.02Å
174	P	98.1	Very high	92.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-78.1	148.6	-179.5	32.1	-36.9	0	0	0	111.6	E261 L262 Q263 V284 T285 K288	P174-E261 HydrophobicContact CB-CB 4.05Å; P174-L262 WeakPolarHBondContact CD-O 3.46Å; P174-L262 VanDerWaalsContact CG-O 3.24Å; P174-L262 WeakPolarHBondContact CG-O 3.42Å; P174-Q263 HydrophobicContact CB-CG 4.41Å; P174-Q263 VanDerWaalsContact CB-NE2 3.28Å; P174-Q263 VanDerWaalsContact CB-OE1 3.25Å; P174-V284 HydrophobicContact CG-CB 4.07Å; P174-V284 HydrophobicContact CG-CG1 3.87Å; P174-T285 HydrophobicContact CB-CG2 4.12Å; P174-T285 HydrophobicContact CG-CG2 3.83Å; P174-K288 WeakPolarHBondContact O-CD 3.38Å; P174-K288 VanDerWaalsContact O-CE 3.31Å; P174-K288 WeakPolarHBondContact O-CE 3.43Å; P174-K288 PolarHBondContact O-NZ 3.34Å
175	D	96	Very high	93.5	Very high	80 Å²	80	50 Å²	50	43%	0.428	29%	0.292	S	S	.	.	S	Bend	trans	-90	-31.5	169.5	-65.2	-43.5	0	0	0	112.2	R257 K288	D175-R257 IonicContact OD2-CZ 3.49Å; D175-R257 IonicContact OD2-NE 3.82Å; D175-R257 IonicContact OD2-NH1 3.61Å; D175-K288 IonicContact OD1-NZ 3.17Å; D175-K288 PolarHBondContact OD1-NZ 2.99Å
176	Y	96.7	Very high	94.5	Very high	173 Å²	173	47.8 Å²	47.8	68%	0.678	27%	0.269	S	S	*	.	S	Bend	trans	-136	150.6	-175.3	-59	-81.8	0	0	0	110	Q263	Y176-Q263 PolarHBondContact O-NE2 3.17Å; Y176-Q263 PolarHBondContact O-OE1 2.92Å
177	P	96.6	Very high	95.6	Very high	64 Å²	64	44.8 Å²	44.8	42%	0.416	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-64.8	152.1	174	29	-34.7	0	0	0	110.5
178	P	95.7	Very high	96.1	Very high	24 Å²	24	41 Å²	41	16%	0.156	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-74.4	150.6	175.9	34	-32.5	0	0	0	110	K182 I209 Q263	P178-K182 HydrophobicContact CB-CB 4.33Å; P178-K182 HydrophobicContact CB-CG 4.32Å; P178-I209 HydrophobicContact CB-CD1 4.27Å; P178-I209 HydrophobicContact CB-CG1 3.94Å; P178-I209 HydrophobicContact CG-CD1 3.45Å; P178-I209 VanDerWaalsContact CG-CD1 3.45Å; P178-I209 HydrophobicContact CG-CG1 3.59Å; P178-Q263 HydrophobicContact CB-CG 4.37Å; P178-Q263 HydrophobicContact CG-CB 4.11Å; P178-Q263 HydrophobicContact CG-CG 4.05Å
179	P	96.8	Very high	96.2	Very high	91 Å²	91	40.2 Å²	40.2	59%	0.591	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-70.1	154.4	176.3	28.1	-31.3	0	0	0	111.4	K182 I209	P179-K182 HydrophobicContact CG-CB 4.09Å; P179-K182 WeakPolarHBondContact O-CB 3.26Å; P179-K182 PolarHBondContact O-N 3.35Å; P179-K182 VanDerWaalsContact O-N 3.13Å; P179-I209 WeakPolarHBondContact O-CB 3.43Å
180	V	97.8	Very high	95.9	Very high	92 Å²	92	39.5 Å²	39.5	56%	0.558	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	139	172.1	175.9	0	0	0	0	109.9	K182 N211	V180-K182 VanDerWaalsContact C-N 3.26Å; V180-K182 PolarHBondContact O-N 2.95Å; V180-N211 HydrophobicContact CG1-CB 4.08Å; V180-N211 HydrophobicContact CG2-CB 4.4Å
181	G	96.5	Very high	95.2	Very high	52 Å²	52	43.4 Å²	43.4	54%	0.536	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-8.9	-176.6	0	0	0	0	0	114.8	E183 I209	G181-E183 PolarHBondContact O-N 2.98Å; G181-I209 PolarHBondContact N-O 3.3Å
182	K	97	Very high	94	Very high	49 Å²	49	44.5 Å²	44.5	21%	0.213	24%	0.235	C	C	.	.			trans	-59.9	124.8	173.7	-176.5	68	174.9	-179.1	0	109.3	P178 P179 V180 P208 I209 Y253 D255	P178-K182 HydrophobicContact CB-CB 4.33Å; P178-K182 HydrophobicContact CB-CG 4.32Å; P179-K182 HydrophobicContact CG-CB 4.09Å; P179-K182 WeakPolarHBondContact O-CB 3.26Å; P179-K182 PolarHBondContact O-N 3.35Å; P179-K182 VanDerWaalsContact O-N 3.13Å; V180-K182 VanDerWaalsContact C-N 3.26Å; V180-K182 PolarHBondContact O-N 2.95Å; K182-P208 CarbonylContact O-C 3.53Å; K182-P208 WeakPolarHBondContact O-CA 2.99Å; K182-I209 HydrophobicContact CB-CG1 4.08Å; K182-I209 WeakPolarHBondContact O-CG1 3.02Å; K182-I209 PolarHBondContact O-N 2.03Å; K182-Y253 WeakPolarHBondContact CE-O 3.1Å; K182-Y253 PolarHBondContact NZ-O 3.26Å; K182-D255 IonicContact NZ-OD1 3.91Å; K182-D255 IonicContact NZ-OD2 3.05Å; K182-D255 PolarHBondContact NZ-OD2 2.93Å
183	E	96.4	Very high	92.7	Very high	103 Å²	103	44.6 Å²	44.6	48%	0.481	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.5	173.2	-169.2	174.8	85.6	0	0	110.4	G181 A206	G181-E183 PolarHBondContact O-N 2.98Å; E183-A206 HydrophobicContact CG-CB 3.93Å
184	C	96.8	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.4	-178.4	-59.9	0	0	0	0	109	A206 V207 L250 I251 C252	C184-A206 CarbonylContact O-C 3.11Å; C184-A206 VanDerWaalsContact O-CA 3.32Å; C184-A206 WeakPolarHBondContact O-CA 3.33Å; C184-V207 PolarHBondContact N-O 2.83Å; C184-V207 PolarHBondContact O-N 2.86Å; C184-L250 HydrophobicContact CB-CD1 4.44Å; C184-L250 HydrophobicContact CB-CD2 3.73Å; C184-L250 HydrophobicContact CB-CG 4.01Å; C184-I251 CarbonylContact C-O 3.56Å; C184-I251 VanDerWaalsContact CA-O 3.22Å; C184-I251 WeakPolarHBondContact CA-O 3.26Å; C184-I251 WeakPolarHBondContact CB-O 3.41Å; C184-C252 HydrophobicContact CB-CB 4.11Å; C184-C252 WeakPolarHBondContact CB-SG 3.42Å; C184-C252 WeakPolarHBondContact SG-CB 3.24Å; C184-C252 CovalentContact SG-SG 2.03Å; C184-C252 PolarHBondContact SG-SG 2.96Å
185	Y	95.7	Very high	90.3	Very high	54 Å²	54	51.4 Å²	51.4	21%	0.212	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.3	-179.5	-66.2	-96.5	0	0	0	110.5	E204 V205 A206 L250 I251 W260	Y185-E204 HydrophobicContact CD1-CG 4.49Å; Y185-V205 WeakPolarHBondContact CA-O 3.08Å; Y185-A206 HydrophobicContact CD1-CB 4.28Å; Y185-A206 HydrophobicContact CE1-CB 3.96Å; Y185-L250 CarbonylContact O-C 3.54Å; Y185-L250 WeakPolarHBondContact O-CA 3.28Å; Y185-I251 PolarHBondContact N-O 3.09Å; Y185-I251 PolarHBondContact O-N 3.15Å; Y185-W260 AromaticContact CD2-CH2 3.7Å; Y185-W260 HydrophobicContact CD2-CH2 3.7Å; Y185-W260 AromaticContact CD2-CZ3 3.61Å; Y185-W260 HydrophobicContact CD2-CZ3 3.61Å; Y185-W260 AromaticContact CE2-CH2 3.6Å; Y185-W260 HydrophobicContact CE2-CH2 3.6Å; Y185-W260 AromaticContact CE2-CZ3 3.97Å; Y185-W260 HydrophobicContact CE2-CZ3 3.97Å
186	V	95.1	Very high	89.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.9	166.6	-177.5	0	0	0	0	108.3	E204 V205 V207 A241 P249 L250 V266 F281	V186-E204 CarbonylContact O-C 3.52Å; V186-E204 WeakPolarHBondContact O-CA 3.07Å; V186-V205 HydrophobicContact CB-CG1 4.13Å; V186-V205 PolarHBondContact N-O 3.08Å; V186-V205 PolarHBondContact O-N 2.84Å; V186-V207 HydrophobicContact CG2-CG2 3.69Å; V186-A241 HydrophobicContact CG1-CB 3.99Å; V186-P249 WeakPolarHBondContact CA-O 3.26Å; V186-L250 HydrophobicContact CG2-CB 4.07Å; V186-L250 HydrophobicContact CG2-CD1 3.63Å; V186-L250 HydrophobicContact CG2-CG 4.02Å; V186-V266 HydrophobicContact CG1-CG2 3.77Å; V186-F281 HydrophobicContact CG1-CE1 4.42Å; V186-F281 HydrophobicContact CG2-CE1 3.69Å; V186-F281 HydrophobicContact CG2-CZ 3.69Å
187	A	94.6	Very high	88.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.6	178	0	0	0	0	0	112.7	Q75 I78 L202 Q203 E204 P249	Q75-A187 VanDerWaalsContact CD-CB 3.48Å; Q75-A187 HydrophobicContact CG-CB 3.63Å; I78-A187 HydrophobicContact CD1-CB 4.42Å; A187-L202 HydrophobicContact CB-CD1 4.44Å; A187-Q203 WeakPolarHBondContact CA-O 3.25Å; A187-Q203 WeakPolarHBondContact CB-O 3.24Å; A187-E204 HydrophobicContact CB-CB 4.13Å; A187-P249 PolarHBondContact N-O 3.32Å
188	G	95.1	Very high	88.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-170.1	178	0	0	0	0	0	113.9	Q203 D245	G188-Q203 PolarHBondContact N-O 3.05Å; G188-Q203 PolarHBondContact O-N 2.77Å; G188-D245 VanDerWaalsContact CA-OD1 3.25Å; G188-D245 WeakPolarHBondContact CA-OD1 3.23Å
189	W	93.7	Very high	87.9	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.008	28%	0.282	C	S	.	.	S	Bend	trans	-119.3	15.4	179.6	-63.3	-86.9	0	0	0	111.9	I78 A80 F87 T123 W125 V198 S199 L202 D245	I78-W189 HydrophobicContact CB-CH2 4.38Å; I78-W189 HydrophobicContact CD1-CZ3 4.41Å; I78-W189 HydrophobicContact CG1-CH2 3.63Å; I78-W189 HydrophobicContact CG1-CZ3 3.61Å; I78-W189 HydrophobicContact CG2-CH2 3.93Å; I78-W189 HydrophobicContact CG2-CZ2 4.47Å; A80-W189 HydrophobicContact CB-CE3 3.97Å; A80-W189 HydrophobicContact CB-CH2 4.1Å; A80-W189 HydrophobicContact CB-CZ3 3.7Å; F87-W189 HydrophobicContact CD1-CB 4.45Å; F87-W189 HydrophobicContact CE1-CB 3.79Å; F87-W189 HydrophobicContact CE2-CB 4.22Å; F87-W189 HydrophobicContact CE2-CE3 4.02Å; F87-W189 HydrophobicContact CZ-CB 3.65Å; F87-W189 HydrophobicContact CZ-CE3 4.35Å; T123-W189 PolarHBondContact O-NE1 3.03Å; W125-W189 HydrophobicContact CB-CD2 4.25Å; W125-W189 HydrophobicContact CB-CZ2 4.25Å; W125-W189 AromaticContact CD1-CD1 3.49Å; W125-W189 VanDerWaalsContact CD1-CD1 3.49Å; W125-W189 AromaticContact CD1-CG 3.61Å; W125-W189 AromaticContact CD1-NE1 3.88Å; W125-W189 HydrophobicContact CG-CG 4.44Å; W189-V198 VanDerWaalsContact O-CB 3.3Å; W189-V198 WeakPolarHBondContact O-CB 3.49Å; W189-S199 WeakPolarHBondContact CB-O 3.17Å; W189-S199 PolarHBondContact O-N 2.88Å; W189-L202 HydrophobicContact CD2-CD1 4.09Å; W189-L202 HydrophobicContact CE3-CD1 4.34Å; W189-L202 HydrophobicContact CH2-CD1 4.12Å; W189-L202 HydrophobicContact CZ2-CB 4.13Å; W189-L202 HydrophobicContact CZ2-CD1 3.84Å; W189-L202 HydrophobicContact CZ2-CG 4.44Å; W189-L202 HydrophobicContact CZ3-CD1 4.34Å; W189-L202 VanDerWaalsContact NE1-N 3.16Å; W189-D245 PolarHBondContact N-OD1 3.06Å
190	G	86.3	Confident	87.5	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.021	28%	0.275	C	S	.	.			trans	-60.1	-178.3	179.7	0	0	0	0	0	113.3	S199 Q243 D245	G190-S199 PolarHBondContact O-N 3.33Å; G190-Q243 CarbonylContact C-O 3.57Å; G190-Q243 WeakPolarHBondContact CA-O 3.48Å; G190-D245 VanDerWaalsContact CA-OD1 3.28Å; G190-D245 WeakPolarHBondContact CA-OD1 3.49Å; G190-D245 PolarHBondContact N-OD1 2.81Å
191	R	80.7	Confident	87.2	Confident	100 Å²	100	45.9 Å²	45.9	38%	0.377	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-63	145.4	-178.3	-69	-178.2	171.9	167	-5.2	110.9	G193 K196 T197 V198 C242 Q243	R191-G193 PolarHBondContact O-N 2.74Å; R191-K196 WeakPolarHBondContact CD-O 3.37Å; R191-K196 WeakPolarHBondContact CG-O 3.22Å; R191-K196 PolarHBondContact NE-O 3.01Å; R191-K196 VanDerWaalsContact NE-O 3.1Å; R191-T197 WeakPolarHBondContact CA-O 3.09Å; R191-V198 HydrophobicContact CG-CG1 4.19Å; R191-C242 HydrophobicContact CB-CB 4.27Å; R191-C242 WeakPolarHBondContact O-CB 3.46Å; R191-Q243 HydrophobicContact CG-CB 4.41Å; R191-Q243 WeakPolarHBondContact CG-O 3.4Å; R191-Q243 PolarHBondContact N-O 3.34Å
192	L	71.8	Confident	87	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.126	24%	0.235	C	C	.	.	S	Bend	trans	-80.2	16.5	-177	-52.5	-174.7	0	0	0	114.5	R63 K196 T197	R63-L192 HydrophobicContact CB-CD1 3.61Å; R63-L192 HydrophobicContact CB-CD2 3.57Å; R63-L192 HydrophobicContact CB-CG 4.12Å; R63-L192 HydrophobicContact CG-CD1 3.55Å; R63-L192 HydrophobicContact CG-CD2 4.45Å; R63-L192 WeakPolarHBondContact O-CD2 3.28Å; L192-K196 HydrophobicContact CB-CB 4.4Å; L192-K196 HydrophobicContact CB-CD 4.16Å; L192-T197 PolarHBondContact N-O 3.19Å
193	G	70.9	Confident	86.8	Confident	5 Å²	5	41.2 Å²	41.2	5%	0.052	23%	0.226	C	C	.	.	S	Bend	trans	143.6	163.8	-167.5	0	0	0	0	0	111.2	R191 G195 K196	R191-G193 PolarHBondContact O-N 2.74Å; G193-G195 PolarHBondContact O-N 3Å; G193-K196 WeakPolarHBondContact O-CB 3.06Å; G193-K196 PolarHBondContact O-N 3.35Å
194	E	72.2	Confident	86.6	Confident	97 Å²	97	37.2 Å²	37.2	45%	0.453	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	129.9	-179.2	-170.9	164	-169.7	0	0	111.1	K196 C272 R274	E194-K196 PolarHBondContact O-N 3.03Å; E194-C272 HydrophobicContact CB-CB 4.39Å; E194-R274 VanDerWaalsContact CD-NH2 3.31Å; E194-R274 IonicContact OE1-CZ 3.96Å; E194-R274 IonicContact OE1-NE 2.89Å; E194-R274 IonicContact OE1-NH2 3.01Å; E194-R274 PolarHBondContact OE1-NH2 3.1Å; E194-R274 IonicContact OE2-CZ 3.03Å; E194-R274 IonicContact OE2-NE 2.74Å; E194-R274 PolarHBondContact OE2-NE 2.77Å; E194-R274 IonicContact OE2-NH2 2.74Å; E194-R274 PolarHBondContact OE2-NH2 3.18Å
195	G	73.9	Confident	86.3	Confident	67 Å²	67	37.4 Å²	37.4	69%	0.691	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	1.1	-177.2	0	0	0	0	0	116.1	G193	G193-G195 PolarHBondContact O-N 3Å
196	K	80.2	Confident	86.1	Confident	123 Å²	123	35.8 Å²	35.8	54%	0.535	21%	0.206	S	C	.	.			trans	-85	177.1	179.1	-61.7	-170.3	-176.4	171.8	0	112.6	R191 L192 G193 E194	R191-K196 WeakPolarHBondContact CD-O 3.37Å; R191-K196 WeakPolarHBondContact CG-O 3.22Å; R191-K196 PolarHBondContact NE-O 3.01Å; R191-K196 VanDerWaalsContact NE-O 3.1Å; L192-K196 HydrophobicContact CB-CB 4.4Å; L192-K196 HydrophobicContact CB-CD 4.16Å; G193-K196 WeakPolarHBondContact O-CB 3.06Å; G193-K196 PolarHBondContact O-N 3.35Å; E194-K196 PolarHBondContact O-N 3.03Å
197	T	83	Confident	86.1	Confident	110 Å²	110	35.8 Å²	35.8	68%	0.675	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-84.5	156.8	174.7	53.6	0	0	0	0	111.7	R191 L192	R191-T197 WeakPolarHBondContact CA-O 3.09Å; L192-T197 PolarHBondContact N-O 3.19Å
198	V	85.5	Confident	86.2	Confident	62 Å²	62	37.1 Å²	37.1	38%	0.376	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-63.5	152.8	169.6	-68.1	0	0	0	0	110.9	F87 W189 R191	F87-V198 HydrophobicContact CD1-CB 4.46Å; F87-V198 HydrophobicContact CD1-CG1 4.36Å; F87-V198 HydrophobicContact CE1-CB 4.45Å; F87-V198 HydrophobicContact CE1-CG1 4.2Å; W189-V198 VanDerWaalsContact O-CB 3.3Å; W189-V198 WeakPolarHBondContact O-CB 3.49Å; R191-V198 HydrophobicContact CG-CG1 4.19Å
199	S	86.6	Confident	86.3	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.028	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-82.9	136.8	176.8	-166.1	0	0	0	0	111.4	W125 W189 G190 V201	W125-S199 PolarHBondContact NE1-O 2.84Å; W189-S199 WeakPolarHBondContact CB-O 3.17Å; W189-S199 PolarHBondContact O-N 2.88Å; G190-S199 PolarHBondContact O-N 3.33Å; S199-V201 VanDerWaalsContact C-N 3.32Å; S199-V201 VanDerWaalsContact CB-O 3.26Å; S199-V201 WeakPolarHBondContact CB-O 3.28Å; S199-V201 PolarHBondContact OG-N 3.34Å; S199-V201 PolarHBondContact OG-O 3.28Å
200	P	87.2	Confident	86.4	Confident	66 Å²	66	39 Å²	39	43%	0.429	22%	0.223	S	C	.	.	S	Bend	trans	-72.8	-27.9	166.8	28.5	-31.8	0	0	0	112.1	E124	E124-P200 VanDerWaalsContact CA-O 3.27Å; E124-P200 WeakPolarHBondContact CA-O 3.49Å
201	V	91.6	Very high	86.9	Confident	43 Å²	43	41.6 Å²	41.6	26%	0.261	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-106.4	142.6	-175.8	-180	0	0	0	0	109.6	T123 E124 S199 Q203	T123-V201 CarbonylContact O-C 3.46Å; T123-V201 WeakPolarHBondContact O-CA 3.27Å; E124-V201 HydrophobicContact CG-CG2 3.82Å; S199-V201 VanDerWaalsContact C-N 3.32Å; S199-V201 VanDerWaalsContact CB-O 3.26Å; S199-V201 WeakPolarHBondContact CB-O 3.28Å; S199-V201 PolarHBondContact OG-N 3.34Å; S199-V201 PolarHBondContact OG-O 3.28Å; V201-Q203 VanDerWaalsContact O-CG 3.31Å; V201-Q203 WeakPolarHBondContact O-CG 3.32Å; V201-Q203 PolarHBondContact O-NE2 3.28Å
202	L	93.3	Very high	87.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.229	C	C	.	.			trans	-62.7	141.4	180	-179.5	67.3	0	0	0	111.7	S69 A70 Q75 I78 T123 A187 W189	S69-L202 WeakPolarHBondContact CA-O 3.25Å; A70-L202 HydrophobicContact CB-CD2 3.97Å; A70-L202 HydrophobicContact CB-CG 3.98Å; A70-L202 PolarHBondContact N-O 3.49Å; Q75-L202 HydrophobicContact CB-CD2 4.02Å; Q75-L202 HydrophobicContact CG-CD2 4.33Å; I78-L202 HydrophobicContact CG1-CD1 3.85Å; I78-L202 HydrophobicContact CG2-CD1 4.31Å; I78-L202 HydrophobicContact CG2-CD2 3.79Å; T123-L202 WeakPolarHBondContact O-CB 3.4Å; T123-L202 PolarHBondContact O-N 2.84Å; A187-L202 HydrophobicContact CB-CD1 4.44Å; W189-L202 HydrophobicContact CD2-CD1 4.09Å; W189-L202 HydrophobicContact CE3-CD1 4.34Å; W189-L202 HydrophobicContact CH2-CD1 4.12Å; W189-L202 HydrophobicContact CZ2-CB 4.13Å; W189-L202 HydrophobicContact CZ2-CD1 3.84Å; W189-L202 HydrophobicContact CZ2-CG 4.44Å; W189-L202 HydrophobicContact CZ3-CD1 4.34Å; W189-L202 VanDerWaalsContact NE1-N 3.16Å
203	Q	92.6	Very high	88.8	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151	-175.5	-55.8	-76.4	-41.7	0	0	109	R63 I64 T68 S69 A187 G188 V201	R63-Q203 VanDerWaalsContact CA-OE1 3.29Å; R63-Q203 HydrophobicContact CB-CG 4.44Å; R63-Q203 VanDerWaalsContact O-CB 3.29Å; R63-Q203 WeakPolarHBondContact O-CB 3.34Å; R63-Q203 WeakPolarHBondContact O-CG 3.38Å; R63-Q203 PolarHBondContact O-OE1 2.91Å; I64-Q203 HydrophobicContact CB-CB 4.34Å; I64-Q203 HydrophobicContact CD1-CB 3.96Å; I64-Q203 HydrophobicContact CG1-CB 3.18Å; I64-Q203 HydrophobicContact CG1-CG 4.23Å; T68-Q203 WeakPolarHBondContact O-CA 3.37Å; S69-Q203 PolarHBondContact OG-NE2 2.82Å; S69-Q203 VanDerWaalsContact OG-NE2 3.08Å; A187-Q203 WeakPolarHBondContact CA-O 3.25Å; A187-Q203 WeakPolarHBondContact CB-O 3.24Å; G188-Q203 PolarHBondContact N-O 3.05Å; G188-Q203 PolarHBondContact O-N 2.77Å; V201-Q203 VanDerWaalsContact O-CG 3.31Å; V201-Q203 WeakPolarHBondContact O-CG 3.32Å; V201-Q203 PolarHBondContact O-NE2 3.28Å
204	E	91.8	Very high	90	Very high	19 Å²	19	46.8 Å²	46.8	9%	0.089	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.9	172.6	72.5	178.2	-152.7	0	0	111.7	R48 G67 T68 A70 Q75 Y185 V186 A187	R48-E204 IonicContact NH2-OE1 3.14Å; R48-E204 PolarHBondContact NH2-OE1 3.29Å; R48-E204 IonicContact NH2-OE2 3.08Å; R48-E204 PolarHBondContact NH2-OE2 3.24Å; G67-E204 CarbonylContact C-O 3.52Å; G67-E204 VanDerWaalsContact CA-O 3.3Å; G67-E204 WeakPolarHBondContact CA-O 3.38Å; T68-E204 PolarHBondContact N-O 3.3Å; T68-E204 PolarHBondContact O-N 3.08Å; A70-E204 HydrophobicContact CB-CB 3.88Å; A70-E204 HydrophobicContact CB-CG 3.74Å; Q75-E204 PolarHBondContact NE2-OE2 3.15Å; Q75-E204 VanDerWaalsContact NE2-OE2 3.08Å; Y185-E204 HydrophobicContact CD1-CG 4.49Å; V186-E204 CarbonylContact O-C 3.52Å; V186-E204 WeakPolarHBondContact O-CA 3.07Å; A187-E204 HydrophobicContact CB-CB 4.13Å
205	V	90.4	Very high	91.1	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.7	174.6	66.1	0	0	0	0	109.9	I64 Y185 V186 V207 R239	I64-V205 HydrophobicContact CB-CB 4.3Å; I64-V205 HydrophobicContact CG2-CB 3.82Å; I64-V205 HydrophobicContact CG2-CG1 3.69Å; I64-V205 HydrophobicContact CG2-CG2 4.45Å; Y185-V205 WeakPolarHBondContact CA-O 3.08Å; V186-V205 HydrophobicContact CB-CG1 4.13Å; V186-V205 PolarHBondContact N-O 3.08Å; V186-V205 PolarHBondContact O-N 2.84Å; V205-V207 HydrophobicContact CG1-CG1 4.18Å; V205-R239 HydrophobicContact CG2-CB 3.87Å; V205-R239 HydrophobicContact CG2-CG 4.11Å
206	A	92	Very high	92.2	Very high	19 Å²	19	41.1 Å²	41.1	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.3	170.5	0	0	0	0	0	109.6	E183 C184 Y185 Y234	E183-A206 HydrophobicContact CG-CB 3.93Å; C184-A206 CarbonylContact O-C 3.11Å; C184-A206 VanDerWaalsContact O-CA 3.32Å; C184-A206 WeakPolarHBondContact O-CA 3.33Å; Y185-A206 HydrophobicContact CD1-CB 4.28Å; Y185-A206 HydrophobicContact CE1-CB 3.96Å; A206-Y234 PolarHBondContact O-OH 2.91Å
207	V	94.2	Very high	93	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.5	177.4	-68.6	0	0	0	0	110.1	C184 V186 V205 A232 Y234 L250	C184-V207 PolarHBondContact N-O 2.83Å; C184-V207 PolarHBondContact O-N 2.86Å; V186-V207 HydrophobicContact CG2-CG2 3.69Å; V205-V207 HydrophobicContact CG1-CG1 4.18Å; V207-A232 HydrophobicContact CB-CB 4.41Å; V207-A232 HydrophobicContact CG2-CB 3.92Å; V207-Y234 HydrophobicContact CG1-CE2 4.45Å; V207-L250 HydrophobicContact CG2-CD1 3.84Å
208	P	96.3	Very high	93.5	Very high	28 Å²	28	36 Å²	36	18%	0.182	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	148.6	174.5	31.8	-33.1	0	0	0	110.7	K182 Y210 A232 G233 Y234	K182-P208 CarbonylContact O-C 3.53Å; K182-P208 WeakPolarHBondContact O-CA 2.99Å; P208-Y210 PolarHBondContact O-N 3.01Å; P208-A232 CarbonylContact O-C 3.12Å; P208-A232 VanDerWaalsContact O-CA 3.24Å; P208-A232 WeakPolarHBondContact O-CA 3.49Å; P208-A232 WeakPolarHBondContact O-CB 3.17Å; P208-G233 WeakPolarHBondContact CG-O 3.29Å; P208-G233 PolarHBondContact O-N 2.73Å; P208-Y234 HydrophobicContact CG-CD1 4.28Å; P208-Y234 HydrophobicContact CG-CE1 4.08Å
209	I	97.6	Very high	93.9	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	122.5	168.1	-59.9	-65	0	0	0	109	P178 P179 G181 K182 F230 A232 L250	P178-I209 HydrophobicContact CB-CD1 4.27Å; P178-I209 HydrophobicContact CB-CG1 3.94Å; P178-I209 HydrophobicContact CG-CD1 3.45Å; P178-I209 VanDerWaalsContact CG-CD1 3.45Å; P178-I209 HydrophobicContact CG-CG1 3.59Å; P179-I209 WeakPolarHBondContact O-CB 3.43Å; G181-I209 PolarHBondContact N-O 3.3Å; K182-I209 HydrophobicContact CB-CG1 4.08Å; K182-I209 WeakPolarHBondContact O-CG1 3.02Å; K182-I209 PolarHBondContact O-N 2.03Å; I209-F230 HydrophobicContact CD1-CD2 4.16Å; I209-F230 HydrophobicContact CD1-CE2 3.56Å; I209-A232 HydrophobicContact CD1-CB 4.43Å; I209-L250 HydrophobicContact CD1-CD2 4.08Å
210	Y	96.5	Very high	94.3	Very high	31 Å²	31	39.2 Å²	39.2	12%	0.122	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.1	-175.5	-162.2	-79.9	0	0	0	110.2	P208 S212 I214 C215 H220 C231 G233 E235 P278	P208-Y210 PolarHBondContact O-N 3.01Å; Y210-S212 PolarHBondContact O-N 3Å; Y210-S212 VanDerWaalsContact O-N 3.15Å; Y210-I214 HydrophobicContact CE1-CB 3.91Å; Y210-I214 HydrophobicContact CE1-CG2 3.77Å; Y210-I214 VanDerWaalsContact OH-CG2 3.27Å; Y210-I214 WeakPolarHBondContact OH-CG2 3.29Å; Y210-C215 HydrophobicContact CD1-CB 3.83Å; Y210-C215 HydrophobicContact CE1-CB 4.16Å; Y210-H220 PolarHBondContact OH-NE2 2.82Å; Y210-C231 WeakPolarHBondContact CB-O 3.31Å; Y210-C231 PolarHBondContact N-O 2.64Å; Y210-G233 WeakPolarHBondContact CD2-O 3.38Å; Y210-E235 HydrophobicContact CE2-CB 4.3Å; Y210-E235 PolarHBondContact OH-OE2 2.58Å; Y210-P278 HydrophobicContact CD1-CG 4.2Å; Y210-P278 HydrophobicContact CD2-CB 4.48Å; Y210-P278 HydrophobicContact CD2-CG 4.35Å; Y210-P278 HydrophobicContact CG-CB 4.45Å; Y210-P278 HydrophobicContact CG-CG 4.1Å
211	N	97.3	Very high	94.6	Very high	55 Å²	55	36.5 Å²	36.5	29%	0.294	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-63.6	117.4	-178.7	-173.4	-44	0	0	0	110.3	V180 N213 I214 C215	V180-N211 HydrophobicContact CG1-CB 4.08Å; V180-N211 HydrophobicContact CG2-CB 4.4Å; N211-N213 PolarHBondContact O-N 2.57Å; N211-N213 WeakPolarHBondContact OD1-CB 3.06Å; N211-N213 PolarHBondContact OD1-N 2.74Å; N211-I214 HydrophobicContact CB-CB 4.34Å; N211-I214 HydrophobicContact CB-CD1 3.98Å; N211-I214 HydrophobicContact CB-CG1 4.27Å; N211-I214 PolarHBondContact O-N 2.76Å; N211-C215 WeakPolarHBondContact O-CB 3.3Å; N211-C215 PolarHBondContact O-N 2.04Å
212	S	95.8	Very high	94.8	Very high	33 Å²	33	39.8 Å²	39.8	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-26.2	-175.8	-53	0	0	0	0	113.6	Y210 N216 R283	Y210-S212 PolarHBondContact O-N 3Å; Y210-S212 VanDerWaalsContact O-N 3.15Å; S212-N216 WeakPolarHBondContact O-CB 3.26Å; S212-N216 PolarHBondContact O-N 2.82Å; S212-N216 VanDerWaalsContact O-N 3.09Å; S212-R283 PolarHBondContact OG-NH2 2.78Å
213	N	96.2	Very high	94.8	Very high	134 Å²	134	42.4 Å²	42.4	72%	0.717	25%	0.252	S	S	*	.	H	α-helix	trans	-71.4	-43.1	176.6	-64.6	-17.5	0	0	0	111.4	N211 N216 D217	N211-N213 PolarHBondContact O-N 2.57Å; N211-N213 WeakPolarHBondContact OD1-CB 3.06Å; N211-N213 PolarHBondContact OD1-N 2.74Å; N213-N216 PolarHBondContact O-N 2.75Å; N213-D217 PolarHBondContact O-N 3.45Å
214	I	96.4	Very high	94.9	Very high	72 Å²	72	46 Å²	46	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-68.1	-46.9	175.3	-62.7	167.2	0	0	0	109.2	Y210 N211 N216 D217 H220	Y210-I214 HydrophobicContact CE1-CB 3.91Å; Y210-I214 HydrophobicContact CE1-CG2 3.77Å; Y210-I214 VanDerWaalsContact OH-CG2 3.27Å; Y210-I214 WeakPolarHBondContact OH-CG2 3.29Å; N211-I214 HydrophobicContact CB-CB 4.34Å; N211-I214 HydrophobicContact CB-CD1 3.98Å; N211-I214 HydrophobicContact CB-CG1 4.27Å; N211-I214 PolarHBondContact O-N 2.76Å; I214-N216 PolarHBondContact O-N 3.14Å; I214-D217 WeakPolarHBondContact O-CB 3.29Å; I214-D217 PolarHBondContact O-N 2.79Å; I214-H220 VanDerWaalsContact CG2-CE1 3.43Å; I214-H220 WeakPolarHBondContact CG2-CE1 3.16Å; I214-H220 VanDerWaalsContact O-CG 3.3Å; I214-H220 PolarHBondContact O-ND1 3.26Å; I214-H220 VanDerWaalsContact O-ND1 3.12Å
215	C	95.4	Very high	95	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-30.8	178.8	-166.7	0	0	0	0	113.3	Y210 N211 H220 Y221 C231	Y210-C215 HydrophobicContact CD1-CB 3.83Å; Y210-C215 HydrophobicContact CE1-CB 4.16Å; N211-C215 WeakPolarHBondContact O-CB 3.3Å; N211-C215 PolarHBondContact O-N 2.04Å; C215-H220 WeakPolarHBondContact O-CB 3.3Å; C215-Y221 WeakPolarHBondContact O-CB 3.44Å; C215-Y221 WeakPolarHBondContact O-CD2 3.35Å; C215-Y221 PolarHBondContact O-N 3.18Å; C215-Y221 WeakPolarHBondContact SG-CD2 3.38Å; C215-C231 HydrophobicContact CB-CB 3.71Å; C215-C231 WeakPolarHBondContact CB-SG 3.5Å; C215-C231 WeakPolarHBondContact SG-CB 3.37Å; C215-C231 CovalentContact SG-SG 2.01Å; C215-C231 PolarHBondContact SG-SG 3.3Å
216	N	96.2	Very high	95.3	Very high	45 Å²	45	47.1 Å²	47.1	24%	0.241	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8	-177.8	-155.1	33.6	0	0	0	113.8	S212 N213 I214 G223 L224 V225	S212-N216 WeakPolarHBondContact O-CB 3.26Å; S212-N216 PolarHBondContact O-N 2.82Å; S212-N216 VanDerWaalsContact O-N 3.09Å; N213-N216 PolarHBondContact O-N 2.75Å; I214-N216 PolarHBondContact O-N 3.14Å; N216-G223 PolarHBondContact O-N 2.81Å; N216-G223 WeakPolarHBondContact OD1-CA 3.21Å; N216-G223 PolarHBondContact OD1-N 2.91Å; N216-L224 PolarHBondContact OD1-N 2.79Å; N216-V225 HydrophobicContact CB-CB 4.06Å; N216-V225 PolarHBondContact ND2-O 3.3Å; N216-V225 WeakPolarHBondContact OD1-CB 3.43Å; N216-V225 PolarHBondContact OD1-N 3.44Å
217	D	96.5	Very high	95.5	Very high	50 Å²	50	51 Å²	51	27%	0.267	30%	0.301	S	S	.	.	S	Bend	trans	-73.3	172.6	177.7	80.3	19.4	0	0	0	112.1	N213 I214 N219 H220 N222	N213-D217 PolarHBondContact O-N 3.45Å; I214-D217 WeakPolarHBondContact O-CB 3.29Å; I214-D217 PolarHBondContact O-N 2.79Å; D217-N219 PolarHBondContact O-N 3.1Å; D217-N219 VanDerWaalsContact OD1-CA 3.32Å; D217-N219 WeakPolarHBondContact OD1-CA 3.34Å; D217-N219 WeakPolarHBondContact OD1-CB 3.08Å; D217-N219 PolarHBondContact OD1-N 3.42Å; D217-H220 PolarHBondContact O-N 3.37Å; D217-H220 VanDerWaalsContact O-N 3.13Å; D217-H220 IonicContact OD1-CE1 2.65Å; D217-H220 IonicContact OD1-CG 3.6Å; D217-H220 PolarHBondContact OD1-N 3.16Å; D217-H220 IonicContact OD1-ND1 2.56Å; D217-H220 PolarHBondContact OD1-ND1 2.91Å; D217-H220 IonicContact OD2-CE1 3.21Å; D217-H220 IonicContact OD2-ND1 3.76Å; D217-H220 PolarHBondContact OD2-ND1 3.01Å; D217-N222 WeakPolarHBondContact O-CA 3.25Å; D217-N222 PolarHBondContact O-N 3.35Å
218	A	94.9	Very high	95.6	Very high	74 Å²	74	51 Å²	51	61%	0.612	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.6	-177.7	0	0	0	0	0	114.7
219	N	93.8	Very high	95.7	Very high	111 Å²	111	49.8 Å²	49.8	59%	0.594	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.6	179.2	-60.8	-54.5	0	0	0	113.2	D217	D217-N219 PolarHBondContact O-N 3.1Å; D217-N219 VanDerWaalsContact OD1-CA 3.32Å; D217-N219 WeakPolarHBondContact OD1-CA 3.34Å; D217-N219 WeakPolarHBondContact OD1-CB 3.08Å; D217-N219 PolarHBondContact OD1-N 3.42Å
220	H	94.1	Very high	95.7	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.111	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-116.1	179.8	-63.9	76.1	0	0	0	110	Y210 I214 C215 D217 N222 E235 R276	Y210-H220 PolarHBondContact OH-NE2 2.82Å; I214-H220 VanDerWaalsContact CG2-CE1 3.43Å; I214-H220 WeakPolarHBondContact CG2-CE1 3.16Å; I214-H220 VanDerWaalsContact O-CG 3.3Å; I214-H220 PolarHBondContact O-ND1 3.26Å; I214-H220 VanDerWaalsContact O-ND1 3.12Å; C215-H220 WeakPolarHBondContact O-CB 3.3Å; D217-H220 PolarHBondContact O-N 3.37Å; D217-H220 VanDerWaalsContact O-N 3.13Å; D217-H220 IonicContact OD1-CE1 2.65Å; D217-H220 IonicContact OD1-CG 3.6Å; D217-H220 PolarHBondContact OD1-N 3.16Å; D217-H220 IonicContact OD1-ND1 2.56Å; D217-H220 PolarHBondContact OD1-ND1 2.91Å; D217-H220 IonicContact OD2-CE1 3.21Å; D217-H220 IonicContact OD2-ND1 3.76Å; D217-H220 PolarHBondContact OD2-ND1 3.01Å; H220-N222 VanDerWaalsContact C-N 3.34Å; H220-E235 IonicContact CE1-OE1 3.71Å; H220-E235 IonicContact CE1-OE2 2.66Å; H220-E235 IonicContact NE2-OE1 3.52Å; H220-E235 IonicContact NE2-OE2 3.93Å; H220-E235 PolarHBondContact NE2-OE2 2.93Å; H220-R276 PolarHBondContact CD2-O 2.9Å
221	Y	94.5	Very high	95.7	Very high	9 Å²	9	48 Å²	48	4%	0.035	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.7	-178.2	-71.4	-61.7	0	0	0	114.6	C215 G223 L224 V225 W268 A270 P278 V280	C215-Y221 WeakPolarHBondContact O-CB 3.44Å; C215-Y221 WeakPolarHBondContact O-CD2 3.35Å; C215-Y221 PolarHBondContact O-N 3.18Å; C215-Y221 WeakPolarHBondContact SG-CD2 3.38Å; Y221-G223 PolarHBondContact O-N 3.37Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 WeakPolarHBondContact O-CD1 3.46Å; Y221-L224 WeakPolarHBondContact O-CG 3.27Å; Y221-L224 PolarHBondContact O-N 3.34Å; Y221-L224 VanDerWaalsContact O-N 3.12Å; Y221-V225 HydrophobicContact CD2-CG2 3.59Å; Y221-V225 HydrophobicContact CE2-CG2 4.48Å; Y221-V225 HydrophobicContact CG-CG2 3.86Å; Y221-W268 AromaticContact CD1-CH2 3.66Å; Y221-W268 HydrophobicContact CD1-CH2 3.66Å; Y221-W268 AromaticContact CD1-CZ3 3.61Å; Y221-W268 HydrophobicContact CD1-CZ3 3.61Å; Y221-W268 HydrophobicContact CE1-CE3 4.35Å; Y221-W268 AromaticContact CE1-CH2 3.93Å; Y221-W268 HydrophobicContact CE1-CH2 3.93Å; Y221-W268 AromaticContact CE1-CZ3 3.47Å; Y221-W268 HydrophobicContact CE1-CZ3 3.47Å; Y221-W268 VanDerWaalsContact CE1-CZ3 3.47Å; Y221-W268 HydrophobicContact CG-CH2 4.05Å; Y221-W268 HydrophobicContact CG-CZ3 4.42Å; Y221-A270 HydrophobicContact CE1-CB 3.89Å; Y221-A270 PolarHBondContact OH-N 3.12Å; Y221-P278 WeakPolarHBondContact CE2-O 3.06Å; Y221-P278 PolarHBondContact OH-O 2.88Å; Y221-V280 HydrophobicContact CD2-CG2 4.06Å; Y221-V280 HydrophobicContact CE1-CG2 4.39Å; Y221-V280 HydrophobicContact CE2-CG2 3.4Å
222	N	94.9	Very high	95.7	Very high	111 Å²	111	45.4 Å²	45.4	59%	0.594	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	57.6	169.6	-169.8	32.2	0	0	0	114.3	D217 H220 L224	D217-N222 WeakPolarHBondContact O-CA 3.25Å; D217-N222 PolarHBondContact O-N 3.35Å; H220-N222 VanDerWaalsContact C-N 3.34Å; N222-L224 VanDerWaalsContact C-N 3.33Å; N222-L224 PolarHBondContact O-N 3.45Å
223	G	94.1	Very high	95.6	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-1.7	177.9	0	0	0	0	0	115.9	N216 Y221	N216-G223 PolarHBondContact O-N 2.81Å; N216-G223 WeakPolarHBondContact OD1-CA 3.21Å; N216-G223 PolarHBondContact OD1-N 2.91Å; Y221-G223 PolarHBondContact O-N 3.37Å
224	L	93.6	Very high	95.3	Very high	79 Å²	79	40.3 Å²	40.3	41%	0.414	24%	0.238	S	C	.	.			trans	-78.3	-15	-178.2	-65.6	176.2	0	0	0	114.9	R147 N216 Y221 N222 W268	R147-L224 HydrophobicContact CG-CB 4.19Å; R147-L224 HydrophobicContact CG-CD2 4.21Å; N216-L224 PolarHBondContact OD1-N 2.79Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 WeakPolarHBondContact O-CD1 3.46Å; Y221-L224 WeakPolarHBondContact O-CG 3.27Å; Y221-L224 PolarHBondContact O-N 3.34Å; Y221-L224 VanDerWaalsContact O-N 3.12Å; N222-L224 VanDerWaalsContact C-N 3.33Å; N222-L224 PolarHBondContact O-N 3.45Å; L224-W268 HydrophobicContact CB-CH2 4.03Å
225	V	95.6	Very high	95	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.048	23%	0.233	C	C	.	.			trans	-93.2	107.5	177.8	-176.9	0	0	0	0	109	N216 Y221 M229 W268 V280	N216-V225 HydrophobicContact CB-CB 4.06Å; N216-V225 PolarHBondContact ND2-O 3.3Å; N216-V225 WeakPolarHBondContact OD1-CB 3.43Å; N216-V225 PolarHBondContact OD1-N 3.44Å; Y221-V225 HydrophobicContact CD2-CG2 3.59Å; Y221-V225 HydrophobicContact CE2-CG2 4.48Å; Y221-V225 HydrophobicContact CG-CG2 3.86Å; V225-M229 HydrophobicContact CG1-CB 3.73Å; V225-W268 HydrophobicContact CG2-CH2 4.38Å; V225-W268 HydrophobicContact CG2-CZ2 4.24Å; V225-V280 HydrophobicContact CG2-CG2 4.37Å
226	D	95.1	Very high	94.7	Very high	40 Å²	40	45.2 Å²	45.2	21%	0.214	26%	0.259	C	S	.	.			trans	-90.2	172.3	179.2	77	63.2	0	0	0	112.7	S149 S228 M229	S149-D226 VanDerWaalsContact CB-OD2 3.23Å; S149-D226 WeakPolarHBondContact CB-OD2 3.17Å; S149-D226 PolarHBondContact OG-OD2 3.03Å; D226-S228 PolarHBondContact O-N 2.83Å; D226-S228 VanDerWaalsContact O-N 3.1Å; D226-S228 WeakPolarHBondContact OD1-CA 3.36Å; D226-S228 VanDerWaalsContact OD1-CB 3.24Å; D226-S228 WeakPolarHBondContact OD1-CB 3.2Å; D226-S228 PolarHBondContact OD1-N 3.26Å; D226-S228 PolarHBondContact OD1-OG 2.95Å; D226-M229 WeakPolarHBondContact O-CB 3.44Å; D226-M229 PolarHBondContact O-N 2.85Å; D226-M229 WeakPolarHBondContact OD2-CE 3.45Å
227	P	96.2	Very high	94.2	Very high	101 Å²	101	43.3 Å²	43.3	66%	0.656	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.1	-176.1	-26.8	36.5	0	0	0	116	M229 R283	P227-M229 PolarHBondContact O-N 3.05Å; P227-R283 PolarHBondContact O-NE 3.04Å
228	S	97.5	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.6	173.9	74.4	0	0	0	0	113.1	Y150 D226 R283	Y150-S228 PolarHBondContact N-OG 2.92Å; D226-S228 PolarHBondContact O-N 2.83Å; D226-S228 VanDerWaalsContact O-N 3.1Å; D226-S228 WeakPolarHBondContact OD1-CA 3.36Å; D226-S228 VanDerWaalsContact OD1-CB 3.24Å; D226-S228 WeakPolarHBondContact OD1-CB 3.2Å; D226-S228 PolarHBondContact OD1-N 3.26Å; D226-S228 PolarHBondContact OD1-OG 2.95Å; S228-R283 VanDerWaalsContact O-CB 3.3Å; S228-R283 WeakPolarHBondContact O-CB 3.05Å; S228-R283 PolarHBondContact O-N 2.94Å
229	M	97.9	Very high	92.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	166.1	-177.2	-55	176.3	-175.9	0	0	111.8	R147 P148 V225 D226 P227 W268 V280 F281 R283	R147-M229 HydrophobicContact CB-CE 4.28Å; P148-M229 WeakPolarHBondContact O-CE 3.47Å; V225-M229 HydrophobicContact CG1-CB 3.73Å; D226-M229 WeakPolarHBondContact O-CB 3.44Å; D226-M229 PolarHBondContact O-N 2.85Å; D226-M229 WeakPolarHBondContact OD2-CE 3.45Å; P227-M229 PolarHBondContact O-N 3.05Å; M229-W268 HydrophobicContact SD-CZ2 3.96Å; M229-W268 PolarHBondContact SD-NE1 3.43Å; M229-V280 HydrophobicContact CB-CG1 3.88Å; M229-V280 HydrophobicContact CG-CG1 4.23Å; M229-V280 HydrophobicContact SD-CG1 3.91Å; M229-F281 CarbonylContact C-O 3.55Å; M229-F281 VanDerWaalsContact CA-O 3.26Å; M229-F281 WeakPolarHBondContact CA-O 3.31Å; M229-R283 PolarHBondContact O-NE 2.74Å; M229-R283 PolarHBondContact O-NH2 3.46Å; M229-R283 VanDerWaalsContact O-NH2 3.13Å
230	F	97.9	Very high	91.5	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.5	163.8	71.1	-77.3	0	0	0	109.8	I209 L250 Q263 F281 R283	I209-F230 HydrophobicContact CD1-CD2 4.16Å; I209-F230 HydrophobicContact CD1-CE2 3.56Å; F230-L250 HydrophobicContact CE2-CD2 4.17Å; F230-L250 HydrophobicContact CZ-CD2 4.01Å; F230-Q263 VanDerWaalsContact CE1-O 3.3Å; F230-Q263 WeakPolarHBondContact CE1-O 3.42Å; F230-F281 HydrophobicContact CD1-CB 4.17Å; F230-F281 HydrophobicContact CE1-CB 3.69Å; F230-F281 HydrophobicContact CE2-CB 4.33Å; F230-F281 HydrophobicContact CZ-CB 3.79Å; F230-F281 HydrophobicContact CZ-CG 4.34Å; F230-F281 PolarHBondContact N-O 3.01Å; F230-F281 PolarHBondContact O-N 2.9Å; F230-R283 HydrophobicContact CD1-CB 3.87Å; F230-R283 HydrophobicContact CD1-CG 4.22Å; F230-R283 HydrophobicContact CE1-CB 4.4Å
231	C	96.9	Very high	90.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.9	-178.6	-50.6	0	0	0	0	111.4	Y210 C215 P278 G279	Y210-C231 WeakPolarHBondContact CB-O 3.31Å; Y210-C231 PolarHBondContact N-O 2.64Å; C215-C231 HydrophobicContact CB-CB 3.71Å; C215-C231 WeakPolarHBondContact CB-SG 3.5Å; C215-C231 WeakPolarHBondContact SG-CB 3.37Å; C215-C231 CovalentContact SG-SG 2.01Å; C215-C231 PolarHBondContact SG-SG 3.3Å; C231-P278 HydrophobicContact CB-CB 4.27Å; C231-P278 HydrophobicContact CB-CG 3.84Å; C231-G279 VanDerWaalsContact CA-O 3.26Å; C231-G279 WeakPolarHBondContact CA-O 3.41Å
232	A	96.4	Very high	90	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	142	169	0	0	0	0	0	109.5	V207 P208 I209 L250 G279 F281	V207-A232 HydrophobicContact CB-CB 4.41Å; V207-A232 HydrophobicContact CG2-CB 3.92Å; P208-A232 CarbonylContact O-C 3.12Å; P208-A232 VanDerWaalsContact O-CA 3.24Å; P208-A232 WeakPolarHBondContact O-CA 3.49Å; P208-A232 WeakPolarHBondContact O-CB 3.17Å; I209-A232 HydrophobicContact CD1-CB 4.43Å; A232-L250 HydrophobicContact CB-CD1 3.5Å; A232-L250 VanDerWaalsContact CB-CD1 3.5Å; A232-G279 PolarHBondContact N-O 3.3Å; A232-G279 VanDerWaalsContact N-O 3.09Å; A232-G279 PolarHBondContact O-N 2.67Å; A232-F281 HydrophobicContact CB-CD2 4.14Å; A232-F281 HydrophobicContact CB-CE2 3.69Å; A232-F281 HydrophobicContact CB-CZ 4.4Å
233	G	93.8	Very high	89.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	143.3	-172.1	-173.9	0	0	0	0	0	111.9	P208 Y210	P208-G233 WeakPolarHBondContact CG-O 3.29Å; P208-G233 PolarHBondContact O-N 2.73Å; Y210-G233 WeakPolarHBondContact CD2-O 3.38Å
234	Y	90.2	Very high	88.2	Confident	60 Å²	60	40.4 Å²	40.4	24%	0.235	20%	0.2	C	C	.	.			trans	-108.5	147.1	-178.4	-61.4	-93.7	0	0	0	110.2	A206 V207 P208 E236 G237 R239	A206-Y234 PolarHBondContact O-OH 2.91Å; V207-Y234 HydrophobicContact CG1-CE2 4.45Å; P208-Y234 HydrophobicContact CG-CD1 4.28Å; P208-Y234 HydrophobicContact CG-CE1 4.08Å; Y234-E236 PolarHBondContact O-N 3.13Å; Y234-G237 PolarHBondContact O-N 3.39Å; Y234-R239 HydrophobicContact CD2-CB 3.84Å; Y234-R239 HydrophobicContact CD2-CG 4.47Å; Y234-R239 HydrophobicContact CE2-CB 3.94Å; Y234-R239 HydrophobicContact CE2-CG 4.35Å; Y234-R239 PolarHBondContact OH-NH1 3.23Å
235	E	90.8	Very high	88	Confident	57 Å²	57	36.6 Å²	36.6	27%	0.266	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-39	178.2	177.9	63.5	-175.5	0	0	111.5	Y210 H220 G237 A275 R276	Y210-E235 HydrophobicContact CE2-CB 4.3Å; Y210-E235 PolarHBondContact OH-OE2 2.58Å; H220-E235 IonicContact CE1-OE1 3.71Å; H220-E235 IonicContact CE1-OE2 2.66Å; H220-E235 IonicContact NE2-OE1 3.52Å; H220-E235 IonicContact NE2-OE2 3.93Å; H220-E235 PolarHBondContact NE2-OE2 2.93Å; E235-G237 PolarHBondContact O-N 2.89Å; E235-A275 CarbonylContact O-C 3.51Å; E235-A275 VanDerWaalsContact O-CA 3.31Å; E235-A275 WeakPolarHBondContact O-CA 3.35Å; E235-R276 PolarHBondContact O-N 3.47Å; E235-R276 WeakPolarHBondContact OE1-CG 3.32Å; E235-R276 IonicContact OE1-NE 3.74Å
236	E	87.9	Confident	88	Confident	118 Å²	118	37.2 Å²	37.2	55%	0.551	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.4	-179.8	-53.3	79	-173.3	0	0	112.5	Y234 F238	Y234-E236 PolarHBondContact O-N 3.13Å; E236-F238 HydrophobicContact CB-CD2 3.95Å; E236-F238 HydrophobicContact CB-CE2 3.85Å; E236-F238 WeakPolarHBondContact O-CD2 3.37Å; E236-F238 WeakPolarHBondContact O-CE2 3.44Å
237	G	85.6	Confident	88.1	Confident	5 Å²	5	35.3 Å²	35.3	5%	0.052	18%	0.175	C	C	.	.			trans	77.4	-129.9	-172.4	0	0	0	0	0	111.8	Y234 E235 R239 A273	Y234-G237 PolarHBondContact O-N 3.39Å; E235-G237 PolarHBondContact O-N 2.89Å; G237-R239 PolarHBondContact O-N 2.82Å; G237-A273 WeakPolarHBondContact CA-O 3.23Å
238	F	77.2	Confident	88.2	Confident	148 Å²	148	30.5 Å²	30.5	65%	0.649	14%	0.144	S	C	*	.	S	Bend	trans	61.4	-18	-177.3	-53.6	-69.1	0	0	0	117.2	V65 G66 E236 A273	V65-F238 CarbonylContact C-O 3.51Å; V65-F238 WeakPolarHBondContact CB-O 3.35Å; V65-F238 WeakPolarHBondContact CG1-O 3.16Å; G66-F238 PolarHBondContact N-O 3.29Å; E236-F238 HydrophobicContact CB-CD2 3.95Å; E236-F238 HydrophobicContact CB-CE2 3.85Å; E236-F238 WeakPolarHBondContact O-CD2 3.37Å; E236-F238 WeakPolarHBondContact O-CE2 3.44Å; F238-A273 PolarHBondContact N-O 2.83Å
239	R	76.7	Confident	88.2	Confident	108 Å²	108	30.5 Å²	30.5	41%	0.408	14%	0.144	S	C	.	.			trans	-137.2	119.2	177.7	-65.5	177.4	-168.7	179.7	3.6	111.1	V65 V205 Y234 G237	V65-R239 VanDerWaalsContact O-CA 3.22Å; V65-R239 WeakPolarHBondContact O-CA 3.39Å; V205-R239 HydrophobicContact CG2-CB 3.87Å; V205-R239 HydrophobicContact CG2-CG 4.11Å; Y234-R239 HydrophobicContact CD2-CB 3.84Å; Y234-R239 HydrophobicContact CD2-CG 4.47Å; Y234-R239 HydrophobicContact CE2-CB 3.94Å; Y234-R239 HydrophobicContact CE2-CG 4.35Å; Y234-R239 PolarHBondContact OH-NH1 3.23Å; G237-R239 PolarHBondContact O-N 2.82Å
240	D	74.7	Confident	88.2	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-164.8	160.3	-174.1	-161.7	9.4	0	0	0	112.2	I64 A273 G279	I64-D240 WeakPolarHBondContact CG2-O 3.43Å; D240-A273 VanDerWaalsContact CB-CA 3.5Å; D240-A273 HydrophobicContact CB-CB 3.64Å; D240-A273 VanDerWaalsContact CB-N 3.28Å; D240-A273 PolarHBondContact OD2-N 2.89Å; D240-G279 VanDerWaalsContact OD1-CA 3.31Å; D240-G279 WeakPolarHBondContact OD1-CA 3.35Å; D240-G279 PolarHBondContact OD1-N 2.01Å
241	A	75.5	Confident	88.2	Confident	9 Å²	9	30.2 Å²	30.2	7%	0.074	14%	0.142	C	C	.	.			trans	-67.2	155.9	158.9	0	0	0	0	0	109.6	V186 D245 V266	V186-A241 HydrophobicContact CG1-CB 3.99Å; A241-D245 HydrophobicContact CB-CB 4.1Å; A241-V266 HydrophobicContact CB-CG1 3.81Å; A241-V266 HydrophobicContact CB-CG2 4.14Å
242	C	81.4	Confident	88.2	Confident	9 Å²	9	30.3 Å²	30.3	6%	0.061	14%	0.143	C	C	.	.			trans	-139	-177.2	178.1	-162.6	0	0	0	0	111.7	R191 G244 D245 C272	R191-C242 HydrophobicContact CB-CB 4.27Å; R191-C242 WeakPolarHBondContact O-CB 3.46Å; C242-G244 PolarHBondContact O-N 2.83Å; C242-D245 PolarHBondContact N-OD2 3.02Å; C242-D245 WeakPolarHBondContact O-CB 3.19Å; C242-D245 PolarHBondContact O-N 2.54Å; C242-C272 WeakPolarHBondContact CA-SG 3.13Å; C242-C272 HydrophobicContact CB-CB 3.73Å; C242-C272 WeakPolarHBondContact CB-SG 3.35Å; C242-C272 WeakPolarHBondContact SG-CB 3.23Å; C242-C272 CovalentContact SG-SG 2.03Å; C242-C272 PolarHBondContact SG-SG 3.06Å
243	Q	77.1	Confident	88.3	Confident	82 Å²	82	33.7 Å²	33.7	38%	0.383	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131.2	-176.6	-68.4	76	35.7	0	0	111.3	G190 R191 C272	G190-Q243 CarbonylContact C-O 3.57Å; G190-Q243 WeakPolarHBondContact CA-O 3.48Å; R191-Q243 HydrophobicContact CG-CB 4.41Å; R191-Q243 WeakPolarHBondContact CG-O 3.4Å; R191-Q243 PolarHBondContact N-O 3.34Å; Q243-C272 PolarHBondContact OE1-SG 3.41Å
244	G	75.3	Confident	88.4	Confident	12 Å²	12	35 Å²	35	12%	0.124	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.9	-20.6	-172.5	0	0	0	0	0	113.3	F87 C242 S246	F87-G244 WeakPolarHBondContact CZ-O 3.44Å; C242-G244 PolarHBondContact O-N 2.83Å; G244-S246 VanDerWaalsContact C-N 3.27Å
245	D	89.2	Confident	88.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.			trans	-78.9	-12.7	171.6	-61.5	-47.4	0	0	0	112.5	G188 W189 G190 A241 C242 G247 G248 V266	G188-D245 VanDerWaalsContact CA-OD1 3.25Å; G188-D245 WeakPolarHBondContact CA-OD1 3.23Å; W189-D245 PolarHBondContact N-OD1 3.06Å; G190-D245 VanDerWaalsContact CA-OD1 3.28Å; G190-D245 WeakPolarHBondContact CA-OD1 3.49Å; G190-D245 PolarHBondContact N-OD1 2.81Å; A241-D245 HydrophobicContact CB-CB 4.1Å; C242-D245 PolarHBondContact N-OD2 3.02Å; C242-D245 WeakPolarHBondContact O-CB 3.19Å; C242-D245 PolarHBondContact O-N 2.54Å; D245-G247 PolarHBondContact O-N 3.14Å; D245-G248 WeakPolarHBondContact O-CA 3.27Å; D245-G248 PolarHBondContact O-N 3.13Å; D245-V266 HydrophobicContact CB-CG1 4.18Å; D245-V266 HydrophobicContact CB-CG2 4.47Å; D245-V266 VanDerWaalsContact O-CB 3.29Å; D245-V266 WeakPolarHBondContact O-CB 3.36Å
246	S	94.8	Very high	88.6	Confident	20 Å²	20	42.7 Å²	42.7	14%	0.14	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	131.2	175.7	-71	0	0	0	0	112.3	C89 G90 H104 G244 G248	C89-S246 CarbonylContact C-O 3.56Å; C89-S246 VanDerWaalsContact CB-O 3.29Å; C89-S246 WeakPolarHBondContact CB-O 3.33Å; G90-S246 PolarHBondContact N-O 3.33Å; H104-S246 VanDerWaalsContact CE1-CB 3.48Å; H104-S246 WeakPolarHBondContact CE1-CB 3.36Å; H104-S246 PolarHBondContact CE1-OG 3.21Å; H104-S246 WeakPolarHBondContact NE2-CB 3.45Å; H104-S246 PolarHBondContact NE2-OG 3.43Å; G244-S246 VanDerWaalsContact C-N 3.27Å; S246-G248 PolarHBondContact O-N 3.3Å
247	G	97.7	Very high	88.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-14.1	-174.8	0	0	0	0	0	115	G90 G91 T101 A102 D245 V266	G90-G247 CarbonylContact O-C 3.54Å; G90-G247 WeakPolarHBondContact O-CA 3.43Å; G91-G247 WeakPolarHBondContact CA-O 3.34Å; T101-G247 WeakPolarHBondContact OG1-CA 3.39Å; A102-G247 VanDerWaalsContact N-CA 3.29Å; D245-G247 PolarHBondContact O-N 3.14Å; G247-V266 PolarHBondContact N-O 2.82Å
248	G	97.3	Very high	89.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.			trans	-66.1	163.4	173.9	0	0	0	0	0	113.1	D245 S246 V266	D245-G248 WeakPolarHBondContact O-CA 3.27Å; D245-G248 PolarHBondContact O-N 3.13Å; S246-G248 PolarHBondContact O-N 3.3Å; G248-V266 WeakPolarHBondContact O-CG2 3.19Å; G248-V266 PolarHBondContact O-N 2.86Å
249	P	98	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.6	-175.5	28.3	-31.6	0	0	0	113.1	I78 S92 V186 A187 I251 L262	I78-P249 HydrophobicContact CD1-CG 3.69Å; S92-P249 VanDerWaalsContact OG-CB 3.26Å; S92-P249 WeakPolarHBondContact OG-CB 3.3Å; S92-P249 WeakPolarHBondContact OG-CD 3.33Å; S92-P249 WeakPolarHBondContact OG-CG 3.2Å; V186-P249 WeakPolarHBondContact CA-O 3.26Å; A187-P249 PolarHBondContact N-O 3.32Å; P249-I251 HydrophobicContact CB-CG2 3.89Å; P249-L262 HydrophobicContact CB-CD1 3.46Å; P249-L262 VanDerWaalsContact CB-CD1 3.46Å
250	L	98.1	Very high	91.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.6	146.4	-177.3	143.1	0	0	0	108.3	C184 Y185 V186 V207 I209 F230 A232 Q263 G264 F281	C184-L250 HydrophobicContact CB-CD1 4.44Å; C184-L250 HydrophobicContact CB-CD2 3.73Å; C184-L250 HydrophobicContact CB-CG 4.01Å; Y185-L250 CarbonylContact O-C 3.54Å; Y185-L250 WeakPolarHBondContact O-CA 3.28Å; V186-L250 HydrophobicContact CG2-CB 4.07Å; V186-L250 HydrophobicContact CG2-CD1 3.63Å; V186-L250 HydrophobicContact CG2-CG 4.02Å; V207-L250 HydrophobicContact CG2-CD1 3.84Å; I209-L250 HydrophobicContact CD1-CD2 4.08Å; F230-L250 HydrophobicContact CE2-CD2 4.17Å; F230-L250 HydrophobicContact CZ-CD2 4.01Å; A232-L250 HydrophobicContact CB-CD1 3.5Å; A232-L250 VanDerWaalsContact CB-CD1 3.5Å; L250-Q263 HydrophobicContact CD2-CB 4.02Å; L250-Q263 PolarHBondContact O-N 2.88Å; L250-G264 PolarHBondContact N-O 3.4Å; L250-G264 PolarHBondContact O-N 3.49Å; L250-F281 HydrophobicContact CB-CD1 3.7Å; L250-F281 HydrophobicContact CB-CE1 3.73Å; L250-F281 HydrophobicContact CD1-CD1 3.95Å; L250-F281 HydrophobicContact CD1-CD2 4.16Å; L250-F281 HydrophobicContact CD1-CE1 3.61Å; L250-F281 HydrophobicContact CD1-CE2 3.87Å; L250-F281 HydrophobicContact CD1-CG 4.23Å; L250-F281 HydrophobicContact CD1-CZ 3.59Å; L250-F281 HydrophobicContact CG-CD1 4.45Å; L250-F281 HydrophobicContact CG-CE1 4.29Å
251	I	98	Very high	92.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.5	-179.9	64.5	179.4	0	0	0	111.5	W77 V171 C184 Y185 P249 W260 E261	W77-I251 HydrophobicContact CH2-CD1 4.29Å; W77-I251 HydrophobicContact CZ2-CD1 3.42Å; W77-I251 VanDerWaalsContact CZ2-CD1 3.42Å; W77-I251 HydrophobicContact CZ2-CG2 4.08Å; V171-I251 HydrophobicContact CG2-CG2 3.96Å; C184-I251 CarbonylContact C-O 3.56Å; C184-I251 VanDerWaalsContact CA-O 3.22Å; C184-I251 WeakPolarHBondContact CA-O 3.26Å; C184-I251 WeakPolarHBondContact CB-O 3.41Å; Y185-I251 PolarHBondContact N-O 3.09Å; Y185-I251 PolarHBondContact O-N 3.15Å; P249-I251 HydrophobicContact CB-CG2 3.89Å; I251-W260 HydrophobicContact CB-CE3 4.13Å; I251-W260 HydrophobicContact CD1-CD2 4.25Å; I251-W260 HydrophobicContact CD1-CE3 3.71Å; I251-W260 HydrophobicContact CD1-CZ3 4.19Å; I251-W260 HydrophobicContact CG1-CE3 3.76Å; I251-W260 HydrophobicContact CG1-CZ3 4.12Å; I251-E261 CarbonylContact C-O 3.53Å; I251-E261 VanDerWaalsContact CA-O 3.23Å; I251-E261 WeakPolarHBondContact CA-O 3.2Å
252	C	97.8	Very high	93.4	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.4	172.2	-49.6	0	0	0	0	109.6	C184 C254 E261 Q263	C184-C252 HydrophobicContact CB-CB 4.11Å; C184-C252 WeakPolarHBondContact CB-SG 3.42Å; C184-C252 WeakPolarHBondContact SG-CB 3.24Å; C184-C252 CovalentContact SG-SG 2.03Å; C184-C252 PolarHBondContact SG-SG 2.96Å; C252-C254 PolarHBondContact O-N 2.87Å; C252-E261 PolarHBondContact N-O 2.82Å; C252-E261 PolarHBondContact O-N 3.08Å; C252-Q263 HydrophobicContact CB-CB 4.49Å; C252-Q263 HydrophobicContact CB-CG 3.77Å; C252-Q263 VanDerWaalsContact SG-CG 3.55Å
253	Y	96.9	Very high	94.2	Very high	71 Å²	71	38.2 Å²	38.2	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.1	174	-171.3	-107.5	0	0	0	110.6	K182 D255 K258 W260	K182-Y253 WeakPolarHBondContact CE-O 3.1Å; K182-Y253 PolarHBondContact NZ-O 3.26Å; Y253-D255 WeakPolarHBondContact CD1-OD1 3.29Å; Y253-K258 HydrophobicContact CE1-CD 4.44Å; Y253-K258 VanDerWaalsContact OH-CA 3.27Å; Y253-K258 WeakPolarHBondContact OH-CA 3.36Å; Y253-K258 WeakPolarHBondContact OH-CD 3.3Å; Y253-K258 PolarHBondContact OH-O 2.99Å; Y253-W260 AromaticContact CD2-CD1 3.92Å; Y253-W260 HydrophobicContact CD2-CD2 4.01Å; Y253-W260 AromaticContact CD2-CE2 3.7Å; Y253-W260 HydrophobicContact CD2-CG 4.16Å; Y253-W260 HydrophobicContact CD2-CZ2 4.18Å; Y253-W260 AromaticContact CD2-NE1 3.63Å; Y253-W260 HydrophobicContact CG-CZ2 4.43Å
254	C	96.2	Very high	95.2	Very high	27 Å²	27	34.3 Å²	34.3	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	103.9	177.5	178.4	0	0	0	0	110.1	C252 K256 R257 K258 I259 E261	C252-C254 PolarHBondContact O-N 2.87Å; C254-K256 PolarHBondContact O-N 2.82Å; C254-R257 HydrophobicContact CB-CB 4.31Å; C254-R257 PolarHBondContact O-N 3.15Å; C254-K258 WeakPolarHBondContact O-CA 2.84Å; C254-K258 PolarHBondContact O-N 2.76Å; C254-I259 PolarHBondContact N-O 3.09Å; C254-E261 VanDerWaalsContact CB-CD 3.49Å; C254-E261 HydrophobicContact CB-CG 4.01Å
255	D	92.5	Very high	96.3	Very high	88 Å²	88	33.8 Å²	33.8	47%	0.471	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.3	-175.2	-63.2	-59.1	0	0	0	113.5	K182 Y253 K258	K182-D255 IonicContact NZ-OD1 3.91Å; K182-D255 IonicContact NZ-OD2 3.05Å; K182-D255 PolarHBondContact NZ-OD2 2.93Å; Y253-D255 WeakPolarHBondContact CD1-OD1 3.29Å; D255-K258 VanDerWaalsContact O-CD 3.22Å; D255-K258 WeakPolarHBondContact O-CD 3.48Å; D255-K258 WeakPolarHBondContact O-CE 3.35Å; D255-K258 PolarHBondContact O-NZ 3.28Å
256	K	92.8	Very high	96.7	Very high	191 Å²	191	34.2 Å²	34.2	83%	0.83	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-42.8	178.3	-176.8	178.6	178.5	-179.7	0	112.3	C254	C254-K256 PolarHBondContact O-N 2.82Å
257	R	93.7	Very high	96.8	Very high	92 Å²	92	33.5 Å²	33.5	35%	0.347	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.5	-178.2	-66.3	174.8	67	-168.8	9.3	113.2	L173 D175 C254 I259 E261	L173-R257 PolarHBondContact O-NH1 3.08Å; D175-R257 IonicContact OD2-CZ 3.49Å; D175-R257 IonicContact OD2-NE 3.82Å; D175-R257 IonicContact OD2-NH1 3.61Å; C254-R257 HydrophobicContact CB-CB 4.31Å; C254-R257 PolarHBondContact O-N 3.15Å; R257-I259 VanDerWaalsContact C-N 3.26Å; R257-I259 HydrophobicContact CB-CD1 3.84Å; R257-I259 HydrophobicContact CB-CG1 3.7Å; R257-I259 VanDerWaalsContact CZ-CD1 3.44Å; R257-I259 PolarHBondContact O-N 2.89Å; R257-E261 VanDerWaalsContact CD-OE1 3.24Å; R257-E261 WeakPolarHBondContact CD-OE1 2.88Å; R257-E261 IonicContact CZ-OE1 3.79Å; R257-E261 IonicContact NE-OE1 3.73Å; R257-E261 IonicContact NH1-OE1 3.09Å; R257-E261 PolarHBondContact NH1-OE1 3.24Å
258	K	94	Very high	96.6	Very high	135 Å²	135	34.9 Å²	34.9	59%	0.587	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	35.3	-177.2	-58.2	-62.2	-176.4	-158.8	0	113.9	Y253 C254 D255	Y253-K258 HydrophobicContact CE1-CD 4.44Å; Y253-K258 VanDerWaalsContact OH-CA 3.27Å; Y253-K258 WeakPolarHBondContact OH-CA 3.36Å; Y253-K258 WeakPolarHBondContact OH-CD 3.3Å; Y253-K258 PolarHBondContact OH-O 2.99Å; C254-K258 WeakPolarHBondContact O-CA 2.84Å; C254-K258 PolarHBondContact O-N 2.76Å; D255-K258 VanDerWaalsContact O-CD 3.22Å; D255-K258 WeakPolarHBondContact O-CD 3.48Å; D255-K258 WeakPolarHBondContact O-CE 3.35Å; D255-K258 PolarHBondContact O-NZ 3.28Å
259	I	95.5	Very high	96.1	Very high	31 Å²	31	36.1 Å²	36.1	16%	0.159	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.9	-178.6	62.9	-174	0	0	0	111	C172 C254 R257 E261	C172-I259 HydrophobicContact CB-CD1 3.93Å; C172-I259 VanDerWaalsContact SG-CD1 3.5Å; C254-I259 PolarHBondContact N-O 3.09Å; R257-I259 VanDerWaalsContact C-N 3.26Å; R257-I259 HydrophobicContact CB-CD1 3.84Å; R257-I259 HydrophobicContact CB-CG1 3.7Å; R257-I259 VanDerWaalsContact CZ-CD1 3.44Å; R257-I259 PolarHBondContact O-N 2.89Å; I259-E261 HydrophobicContact CG1-CG 4.35Å
260	W	97.5	Very high	95.4	Very high	36 Å²	36	37.5 Å²	37.5	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133	170.3	-66	87.3	0	0	0	110.9	G46 R48 W77 C172 Y185 I251 Y253	G46-W260 VanDerWaalsContact CA-O 3.23Å; G46-W260 WeakPolarHBondContact CA-O 3.49Å; G46-W260 PolarHBondContact O-N 3.28Å; R48-W260 VanDerWaalsContact CD-NE1 3.28Å; R48-W260 HydrophobicContact CG-CD2 4.31Å; R48-W260 HydrophobicContact CG-CG 4.13Å; W77-W260 HydrophobicContact CH2-CB 3.87Å; W77-W260 HydrophobicContact CH2-CG 4.2Å; C172-W260 PolarHBondContact N-O 2.97Å; Y185-W260 AromaticContact CD2-CH2 3.7Å; Y185-W260 HydrophobicContact CD2-CH2 3.7Å; Y185-W260 AromaticContact CD2-CZ3 3.61Å; Y185-W260 HydrophobicContact CD2-CZ3 3.61Å; Y185-W260 AromaticContact CE2-CH2 3.6Å; Y185-W260 HydrophobicContact CE2-CH2 3.6Å; Y185-W260 AromaticContact CE2-CZ3 3.97Å; Y185-W260 HydrophobicContact CE2-CZ3 3.97Å; I251-W260 HydrophobicContact CB-CE3 4.13Å; I251-W260 HydrophobicContact CD1-CD2 4.25Å; I251-W260 HydrophobicContact CD1-CE3 3.71Å; I251-W260 HydrophobicContact CD1-CZ3 4.19Å; I251-W260 HydrophobicContact CG1-CE3 3.76Å; I251-W260 HydrophobicContact CG1-CZ3 4.12Å; Y253-W260 AromaticContact CD2-CD1 3.92Å; Y253-W260 HydrophobicContact CD2-CD2 4.01Å; Y253-W260 AromaticContact CD2-CE2 3.7Å; Y253-W260 HydrophobicContact CD2-CG 4.16Å; Y253-W260 HydrophobicContact CD2-CZ2 4.18Å; Y253-W260 AromaticContact CD2-NE1 3.63Å; Y253-W260 HydrophobicContact CG-CZ2 4.43Å
261	E	98.2	Very high	94.6	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143	-179.7	-60.4	175.6	150.9	0	0	111	C172 P174 I251 C252 C254 R257 I259 Q263	C172-E261 CarbonylContact O-C 3.52Å; C172-E261 VanDerWaalsContact O-CA 3.27Å; C172-E261 WeakPolarHBondContact O-CA 3.3Å; P174-E261 HydrophobicContact CB-CB 4.05Å; I251-E261 CarbonylContact C-O 3.53Å; I251-E261 VanDerWaalsContact CA-O 3.23Å; I251-E261 WeakPolarHBondContact CA-O 3.2Å; C252-E261 PolarHBondContact N-O 2.82Å; C252-E261 PolarHBondContact O-N 3.08Å; C254-E261 VanDerWaalsContact CB-CD 3.49Å; C254-E261 HydrophobicContact CB-CG 4.01Å; R257-E261 VanDerWaalsContact CD-OE1 3.24Å; R257-E261 WeakPolarHBondContact CD-OE1 2.88Å; R257-E261 IonicContact CZ-OE1 3.79Å; R257-E261 IonicContact NE-OE1 3.73Å; R257-E261 IonicContact NH1-OE1 3.09Å; R257-E261 PolarHBondContact NH1-OE1 3.24Å; I259-E261 HydrophobicContact CG1-CG 4.35Å; E261-Q263 HydrophobicContact CB-CG 4.46Å; E261-Q263 PolarHBondContact O-N 3.31Å; E261-Q263 VanDerWaalsContact O-N 3.14Å; E261-Q263 PolarHBondContact OE2-NE2 3.48Å
262	L	98.7	Very high	93.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	93.7	173.4	-176.8	71.4	0	0	0	109.8	I94 V100 V171 C172 P174 P249 G264 V284	I94-L262 HydrophobicContact CG2-CD2 4.46Å; V100-L262 HydrophobicContact CG1-CD2 3.33Å; V171-L262 HydrophobicContact CB-CB 4.43Å; V171-L262 HydrophobicContact CG1-CB 3.68Å; V171-L262 HydrophobicContact CG1-CD1 4.36Å; V171-L262 HydrophobicContact CG1-CD2 4.2Å; V171-L262 HydrophobicContact CG1-CG 4.3Å; V171-L262 HydrophobicContact CG2-CB 3.88Å; C172-L262 PolarHBondContact O-N 2.85Å; P174-L262 WeakPolarHBondContact CD-O 3.46Å; P174-L262 VanDerWaalsContact CG-O 3.24Å; P174-L262 WeakPolarHBondContact CG-O 3.42Å; P249-L262 HydrophobicContact CB-CD1 3.46Å; P249-L262 VanDerWaalsContact CB-CD1 3.46Å; L262-G264 WeakPolarHBondContact CD1-O 3.11Å; L262-V284 HydrophobicContact CD2-CG2 4.29Å; L262-V284 HydrophobicContact CG-CG2 4.09Å; L262-V284 VanDerWaalsContact O-CB 3.24Å; L262-V284 WeakPolarHBondContact O-CB 3.02Å; L262-V284 WeakPolarHBondContact O-CG1 3.14Å; L262-V284 WeakPolarHBondContact O-CG2 3.34Å
263	Q	98.6	Very high	92.8	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-29	-177.2	-69.9	-70.8	5.3	0	0	112.6	P174 Y176 P178 F230 L250 C252 E261 V284	P174-Q263 HydrophobicContact CB-CG 4.41Å; P174-Q263 VanDerWaalsContact CB-NE2 3.28Å; P174-Q263 VanDerWaalsContact CB-OE1 3.25Å; Y176-Q263 PolarHBondContact O-NE2 3.17Å; Y176-Q263 PolarHBondContact O-OE1 2.92Å; P178-Q263 HydrophobicContact CB-CG 4.37Å; P178-Q263 HydrophobicContact CG-CB 4.11Å; P178-Q263 HydrophobicContact CG-CG 4.05Å; F230-Q263 VanDerWaalsContact CE1-O 3.3Å; F230-Q263 WeakPolarHBondContact CE1-O 3.42Å; L250-Q263 HydrophobicContact CD2-CB 4.02Å; L250-Q263 PolarHBondContact O-N 2.88Å; C252-Q263 HydrophobicContact CB-CB 4.49Å; C252-Q263 HydrophobicContact CB-CG 3.77Å; C252-Q263 VanDerWaalsContact SG-CG 3.55Å; E261-Q263 HydrophobicContact CB-CG 4.46Å; E261-Q263 PolarHBondContact O-N 3.31Å; E261-Q263 VanDerWaalsContact O-N 3.14Å; E261-Q263 PolarHBondContact OE2-NE2 3.48Å; Q263-V284 PolarHBondContact O-N 3.38Å
264	G	98.5	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.4	178.3	0	0	0	0	0	113.8	L250 L262 T282	L250-G264 PolarHBondContact N-O 3.4Å; L250-G264 PolarHBondContact O-N 3.49Å; L262-G264 WeakPolarHBondContact CD1-O 3.11Å; G264-T282 WeakPolarHBondContact CA-O 3.37Å
265	I	98.6	Very high	91.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	166.2	-57.3	161.1	0	0	0	106.2	V100 A102 A152 S267 F281 T282 V284	V100-I265 HydrophobicContact CG2-CD1 3.59Å; V100-I265 HydrophobicContact CG2-CG1 4.36Å; A102-I265 HydrophobicContact CB-CG2 4.24Å; A152-I265 HydrophobicContact CB-CD1 3.93Å; I265-S267 PolarHBondContact O-N 3.36Å; I265-F281 CarbonylContact O-C 3.54Å; I265-F281 WeakPolarHBondContact O-CA 3.22Å; I265-T282 PolarHBondContact N-O 3.22Å; I265-T282 PolarHBondContact O-N 3.29Å; I265-V284 HydrophobicContact CD1-CG2 4.18Å; I265-V284 HydrophobicContact CG1-CG2 3.91Å
266	V	97.7	Very high	91.3	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	122.6	178.2	178.8	0	0	0	0	108.8	V186 A241 D245 G247 G248 F281	V186-V266 HydrophobicContact CG1-CG2 3.77Å; A241-V266 HydrophobicContact CB-CG1 3.81Å; A241-V266 HydrophobicContact CB-CG2 4.14Å; D245-V266 HydrophobicContact CB-CG1 4.18Å; D245-V266 HydrophobicContact CB-CG2 4.47Å; D245-V266 VanDerWaalsContact O-CB 3.29Å; D245-V266 WeakPolarHBondContact O-CB 3.36Å; G247-V266 PolarHBondContact N-O 2.82Å; G248-V266 WeakPolarHBondContact O-CG2 3.19Å; G248-V266 PolarHBondContact O-N 2.86Å; V266-F281 HydrophobicContact CB-CD1 4.49Å; V266-F281 HydrophobicContact CB-CE1 4.38Å; V266-F281 HydrophobicContact CG2-CD1 4.12Å; V266-F281 HydrophobicContact CG2-CE1 3.66Å
267	S	95.7	Very high	91.2	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-64.7	-172.8	-179.2	0	0	0	0	111.6	H104 D151 I265 V280	H104-S267 PolarHBondContact CE1-O 3.46Å; D151-S267 WeakPolarHBondContact CB-OG 3.42Å; D151-S267 WeakPolarHBondContact OD2-CB 3.33Å; D151-S267 PolarHBondContact OD2-OG 3.01Å; I265-S267 PolarHBondContact O-N 3.36Å; S267-V280 WeakPolarHBondContact CB-O 3.4Å; S267-V280 PolarHBondContact N-O 3.23Å; S267-V280 VanDerWaalsContact N-O 3.09Å
268	W	93.3	Very high	91.2	Very high	30 Å²	30	33.2 Å²	33.2	11%	0.114	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	173.7	-177.4	65.1	-81.4	0	0	0	112.4	R147 P148 Y221 L224 V225 M229 V280	R147-W268 HydrophobicContact CB-CZ2 4.25Å; R147-W268 HydrophobicContact CG-CH2 4.16Å; R147-W268 HydrophobicContact CG-CZ2 4.04Å; P148-W268 HydrophobicContact CG-CB 4.46Å; P148-W268 VanDerWaalsContact CG-CD1 3.49Å; P148-W268 HydrophobicContact CG-CG 4.12Å; Y221-W268 AromaticContact CD1-CH2 3.66Å; Y221-W268 HydrophobicContact CD1-CH2 3.66Å; Y221-W268 AromaticContact CD1-CZ3 3.61Å; Y221-W268 HydrophobicContact CD1-CZ3 3.61Å; Y221-W268 HydrophobicContact CE1-CE3 4.35Å; Y221-W268 AromaticContact CE1-CH2 3.93Å; Y221-W268 HydrophobicContact CE1-CH2 3.93Å; Y221-W268 AromaticContact CE1-CZ3 3.47Å; Y221-W268 HydrophobicContact CE1-CZ3 3.47Å; Y221-W268 VanDerWaalsContact CE1-CZ3 3.47Å; Y221-W268 HydrophobicContact CG-CH2 4.05Å; Y221-W268 HydrophobicContact CG-CZ3 4.42Å; L224-W268 HydrophobicContact CB-CH2 4.03Å; V225-W268 HydrophobicContact CG2-CH2 4.38Å; V225-W268 HydrophobicContact CG2-CZ2 4.24Å; M229-W268 HydrophobicContact SD-CZ2 3.96Å; M229-W268 PolarHBondContact SD-NE1 3.43Å; W268-V280 HydrophobicContact CD2-CB 4Å; W268-V280 HydrophobicContact CD2-CG1 4.37Å; W268-V280 HydrophobicContact CD2-CG2 4.1Å; W268-V280 HydrophobicContact CE3-CG2 4.28Å; W268-V280 HydrophobicContact CG-CB 4.18Å; W268-V280 HydrophobicContact CH2-CG2 4.11Å; W268-V280 HydrophobicContact CZ2-CB 4.23Å; W268-V280 HydrophobicContact CZ2-CG1 3.97Å; W268-V280 HydrophobicContact CZ2-CG2 3.93Å; W268-V280 HydrophobicContact CZ3-CG2 4.28Å; W268-V280 PolarHBondContact N-O 2.03Å; W268-V280 VanDerWaalsContact N-O 3.15Å; W268-V280 WeakPolarHBondContact O-CA 3.46Å; W268-V280 VanDerWaalsContact O-CB 3.27Å; W268-V280 WeakPolarHBondContact O-CB 2.95Å; W268-V280 PolarHBondContact O-N 3.02Å
269	G	88.4	Confident	91.2	Very high	26 Å²	26	27 Å²	27	27%	0.268	15%	0.145	S	C	.	.			trans	-169.7	167.3	174.2	0	0	0	0	0	110.8
270	A	82.9	Confident	91.2	Very high	29 Å²	29	25.5 Å²	25.5	24%	0.24	14%	0.138	C	C	.	.	S	Bend	trans	-93.7	93.2	172.2	0	0	0	0	0	110.6	Y221 R274 N277	Y221-A270 HydrophobicContact CE1-CB 3.89Å; Y221-A270 PolarHBondContact OH-N 3.12Å; A270-R274 VanDerWaalsContact O-CD 3.31Å; A270-R274 WeakPolarHBondContact O-CD 2.97Å; A270-N277 HydrophobicContact CB-CB 4.12Å
271	G	81	Confident	91.2	Very high	16 Å²	16	23.9 Å²	23.9	17%	0.165	13%	0.132	C	C	.	.	S	Bend	trans	77.3	-158.9	-170.5	0	0	0	0	0	111.4
272	C	79.7	Confident	91.2	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.054	13%	0.131	C	C	.	.	S	Bend	trans	-126.8	126.7	171	-56.3	0	0	0	0	109.3	E194 C242 Q243 R274	E194-C272 HydrophobicContact CB-CB 4.39Å; C242-C272 WeakPolarHBondContact CA-SG 3.13Å; C242-C272 HydrophobicContact CB-CB 3.73Å; C242-C272 WeakPolarHBondContact CB-SG 3.35Å; C242-C272 WeakPolarHBondContact SG-CB 3.23Å; C242-C272 CovalentContact SG-SG 2.03Å; C242-C272 PolarHBondContact SG-SG 3.06Å; Q243-C272 PolarHBondContact OE1-SG 3.41Å; C272-R274 PolarHBondContact O-N 3.19Å
273	A	77.4	Confident	91.2	Very high	13 Å²	13	26 Å²	26	11%	0.107	14%	0.14	C	C	.	.	S	Bend	trans	57.4	33.1	175	0	0	0	0	0	114.2	V65 G237 F238 D240	V65-A273 HydrophobicContact CB-CB 3.7Å; V65-A273 HydrophobicContact CG1-CB 3.63Å; V65-A273 HydrophobicContact CG2-CB 3.86Å; G237-A273 WeakPolarHBondContact CA-O 3.23Å; F238-A273 PolarHBondContact N-O 2.83Å; D240-A273 VanDerWaalsContact CB-CA 3.5Å; D240-A273 HydrophobicContact CB-CB 3.64Å; D240-A273 VanDerWaalsContact CB-N 3.28Å; D240-A273 PolarHBondContact OD2-N 2.89Å
274	R	83.6	Confident	91.2	Very high	116 Å²	116	25.8 Å²	25.8	44%	0.438	14%	0.139	S	C	.	.			trans	-79.9	143.8	173.1	-63.2	-169.6	-175.8	174.2	-5.4	109.9	E194 A270 C272 N277	E194-R274 VanDerWaalsContact CD-NH2 3.31Å; E194-R274 IonicContact OE1-CZ 3.96Å; E194-R274 IonicContact OE1-NE 2.89Å; E194-R274 IonicContact OE1-NH2 3.01Å; E194-R274 PolarHBondContact OE1-NH2 3.1Å; E194-R274 IonicContact OE2-CZ 3.03Å; E194-R274 IonicContact OE2-NE 2.74Å; E194-R274 PolarHBondContact OE2-NE 2.77Å; E194-R274 IonicContact OE2-NH2 2.74Å; E194-R274 PolarHBondContact OE2-NH2 3.18Å; A270-R274 VanDerWaalsContact O-CD 3.31Å; A270-R274 WeakPolarHBondContact O-CD 2.97Å; C272-R274 PolarHBondContact O-N 3.19Å; R274-N277 HydrophobicContact CB-CB 4.19Å; R274-N277 PolarHBondContact O-N 3.24Å
275	A	85.3	Confident	91.2	Very high	55 Å²	55	27.5 Å²	27.5	46%	0.455	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	144.4	172.1	0	0	0	0	0	110.8	E235 N277	E235-A275 CarbonylContact O-C 3.51Å; E235-A275 VanDerWaalsContact O-CA 3.31Å; E235-A275 WeakPolarHBondContact O-CA 3.35Å; A275-N277 PolarHBondContact O-N 3.09Å; A275-N277 VanDerWaalsContact O-N 3.1Å; A275-N277 PolarHBondContact O-ND2 3.04Å
276	R	86.8	Confident	91.2	Very high	135 Å²	135	31.5 Å²	31.5	51%	0.509	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	11.6	-178.3	-51.7	-173.6	173.4	165.8	-0.2	115.3	H220 E235 P278	H220-R276 PolarHBondContact CD2-O 2.9Å; E235-R276 PolarHBondContact O-N 3.47Å; E235-R276 WeakPolarHBondContact OE1-CG 3.32Å; E235-R276 IonicContact OE1-NE 3.74Å; R276-P278 VanDerWaalsContact C-CD 3.47Å
277	N	89.8	Confident	91.2	Very high	35 Å²	35	31.1 Å²	31.1	19%	0.187	17%	0.166	C	C	.	.			trans	-132.8	65	-178.4	-66.5	-77.7	0	0	0	109.6	A270 R274 A275	A270-N277 HydrophobicContact CB-CB 4.12Å; R274-N277 HydrophobicContact CB-CB 4.19Å; R274-N277 PolarHBondContact O-N 3.24Å; A275-N277 PolarHBondContact O-N 3.09Å; A275-N277 VanDerWaalsContact O-N 3.1Å; A275-N277 PolarHBondContact O-ND2 3.04Å
278	P	93	Very high	91.3	Very high	4 Å²	4	33 Å²	33	3%	0.026	17%	0.174	C	C	.	.			trans	-60.6	153.9	174.5	28.4	-35.7	0	0	0	110.5	Y210 Y221 C231 R276	Y210-P278 HydrophobicContact CD1-CG 4.2Å; Y210-P278 HydrophobicContact CD2-CB 4.48Å; Y210-P278 HydrophobicContact CD2-CG 4.35Å; Y210-P278 HydrophobicContact CG-CB 4.45Å; Y210-P278 HydrophobicContact CG-CG 4.1Å; Y221-P278 WeakPolarHBondContact CE2-O 3.06Å; Y221-P278 PolarHBondContact OH-O 2.88Å; C231-P278 HydrophobicContact CB-CB 4.27Å; C231-P278 HydrophobicContact CB-CG 3.84Å; R276-P278 VanDerWaalsContact C-CD 3.47Å
279	G	94.5	Very high	91.5	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	142.8	176.2	0	0	0	0	0	112.1	C231 A232 D240 F281	C231-G279 VanDerWaalsContact CA-O 3.26Å; C231-G279 WeakPolarHBondContact CA-O 3.41Å; A232-G279 PolarHBondContact N-O 3.3Å; A232-G279 VanDerWaalsContact N-O 3.09Å; A232-G279 PolarHBondContact O-N 2.67Å; D240-G279 VanDerWaalsContact OD1-CA 3.31Å; D240-G279 WeakPolarHBondContact OD1-CA 3.35Å; D240-G279 PolarHBondContact OD1-N 2.01Å; G279-F281 VanDerWaalsContact C-CE2 3.5Å; G279-F281 WeakPolarHBondContact O-CD2 3.08Å; G279-F281 WeakPolarHBondContact O-CE2 3.33Å
280	V	96.1	Very high	92	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.1	178.2	-172	0	0	0	0	110	Y221 V225 M229 S267 W268	Y221-V280 HydrophobicContact CD2-CG2 4.06Å; Y221-V280 HydrophobicContact CE1-CG2 4.39Å; Y221-V280 HydrophobicContact CE2-CG2 3.4Å; V225-V280 HydrophobicContact CG2-CG2 4.37Å; M229-V280 HydrophobicContact CB-CG1 3.88Å; M229-V280 HydrophobicContact CG-CG1 4.23Å; M229-V280 HydrophobicContact SD-CG1 3.91Å; S267-V280 WeakPolarHBondContact CB-O 3.4Å; S267-V280 PolarHBondContact N-O 3.23Å; S267-V280 VanDerWaalsContact N-O 3.09Å; W268-V280 HydrophobicContact CD2-CB 4Å; W268-V280 HydrophobicContact CD2-CG1 4.37Å; W268-V280 HydrophobicContact CD2-CG2 4.1Å; W268-V280 HydrophobicContact CE3-CG2 4.28Å; W268-V280 HydrophobicContact CG-CB 4.18Å; W268-V280 HydrophobicContact CH2-CG2 4.11Å; W268-V280 HydrophobicContact CZ2-CB 4.23Å; W268-V280 HydrophobicContact CZ2-CG1 3.97Å; W268-V280 HydrophobicContact CZ2-CG2 3.93Å; W268-V280 HydrophobicContact CZ3-CG2 4.28Å; W268-V280 PolarHBondContact N-O 2.03Å; W268-V280 VanDerWaalsContact N-O 3.15Å; W268-V280 WeakPolarHBondContact O-CA 3.46Å; W268-V280 VanDerWaalsContact O-CB 3.27Å; W268-V280 WeakPolarHBondContact O-CB 2.95Å; W268-V280 PolarHBondContact O-N 3.02Å
281	F	97.9	Very high	92.7	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.3	-174	-58.1	-98.8	0	0	0	110.3	V186 M229 F230 A232 L250 I265 V266 G279 R283	V186-F281 HydrophobicContact CG1-CE1 4.42Å; V186-F281 HydrophobicContact CG2-CE1 3.69Å; V186-F281 HydrophobicContact CG2-CZ 3.69Å; M229-F281 CarbonylContact C-O 3.55Å; M229-F281 VanDerWaalsContact CA-O 3.26Å; M229-F281 WeakPolarHBondContact CA-O 3.31Å; F230-F281 HydrophobicContact CD1-CB 4.17Å; F230-F281 HydrophobicContact CE1-CB 3.69Å; F230-F281 HydrophobicContact CE2-CB 4.33Å; F230-F281 HydrophobicContact CZ-CB 3.79Å; F230-F281 HydrophobicContact CZ-CG 4.34Å; F230-F281 PolarHBondContact N-O 3.01Å; F230-F281 PolarHBondContact O-N 2.9Å; A232-F281 HydrophobicContact CB-CD2 4.14Å; A232-F281 HydrophobicContact CB-CE2 3.69Å; A232-F281 HydrophobicContact CB-CZ 4.4Å; L250-F281 HydrophobicContact CB-CD1 3.7Å; L250-F281 HydrophobicContact CB-CE1 3.73Å; L250-F281 HydrophobicContact CD1-CD1 3.95Å; L250-F281 HydrophobicContact CD1-CD2 4.16Å; L250-F281 HydrophobicContact CD1-CE1 3.61Å; L250-F281 HydrophobicContact CD1-CE2 3.87Å; L250-F281 HydrophobicContact CD1-CG 4.23Å; L250-F281 HydrophobicContact CD1-CZ 3.59Å; L250-F281 HydrophobicContact CG-CD1 4.45Å; L250-F281 HydrophobicContact CG-CE1 4.29Å; I265-F281 CarbonylContact O-C 3.54Å; I265-F281 WeakPolarHBondContact O-CA 3.22Å; V266-F281 HydrophobicContact CB-CD1 4.49Å; V266-F281 HydrophobicContact CB-CE1 4.38Å; V266-F281 HydrophobicContact CG2-CD1 4.12Å; V266-F281 HydrophobicContact CG2-CE1 3.66Å; G279-F281 VanDerWaalsContact C-CE2 3.5Å; G279-F281 WeakPolarHBondContact O-CD2 3.08Å; G279-F281 WeakPolarHBondContact O-CE2 3.33Å; F281-R283 PolarHBondContact O-N 3.17Å
282	T	98.4	Very high	93.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.3	165.5	-57	0	0	0	0	108.8	D151 A152 G264 I265 V284 V287	D151-T282 WeakPolarHBondContact CB-OG1 3.2Å; D151-T282 PolarHBondContact O-OG1 2.89Å; A152-T282 HydrophobicContact CB-CG2 4.36Å; G264-T282 WeakPolarHBondContact CA-O 3.37Å; I265-T282 PolarHBondContact N-O 3.22Å; I265-T282 PolarHBondContact O-N 3.29Å; T282-V284 PolarHBondContact O-N 2.8Å; T282-V284 VanDerWaalsContact O-N 3.16Å; T282-V287 HydrophobicContact CG2-CG1 4.12Å; T282-V287 HydrophobicContact CG2-CG2 4.26Å
283	R	98.4	Very high	94.3	Very high	52 Å²	52	43.3 Å²	43.3	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	103.4	176.2	-171.4	178.8	-64.1	-101.8	5.7	109.5	S212 P227 S228 M229 F230 F281 T285 M286	S212-R283 PolarHBondContact OG-NH2 2.78Å; P227-R283 PolarHBondContact O-NE 3.04Å; S228-R283 VanDerWaalsContact O-CB 3.3Å; S228-R283 WeakPolarHBondContact O-CB 3.05Å; S228-R283 PolarHBondContact O-N 2.94Å; M229-R283 PolarHBondContact O-NE 2.74Å; M229-R283 PolarHBondContact O-NH2 3.46Å; M229-R283 VanDerWaalsContact O-NH2 3.13Å; F230-R283 HydrophobicContact CD1-CB 3.87Å; F230-R283 HydrophobicContact CD1-CG 4.22Å; F230-R283 HydrophobicContact CE1-CB 4.4Å; F281-R283 PolarHBondContact O-N 3.17Å; R283-T285 WeakPolarHBondContact CG-OG1 3.48Å; R283-T285 PolarHBondContact O-N 2.99Å; R283-M286 HydrophobicContact CB-CB 4.33Å; R283-M286 HydrophobicContact CB-CG 3.97Å; R283-M286 HydrophobicContact CG-CG 3.87Å; R283-M286 WeakPolarHBondContact O-CB 3.22Å; R283-M286 PolarHBondContact O-N 3Å
284	V	98.7	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-33.8	-172.8	174.6	0	0	0	0	112.2	L173 P174 L262 Q263 I265 T282 M286 V287 K288 I291	L173-V284 HydrophobicContact CD2-CG1 4.15Å; P174-V284 HydrophobicContact CG-CB 4.07Å; P174-V284 HydrophobicContact CG-CG1 3.87Å; L262-V284 HydrophobicContact CD2-CG2 4.29Å; L262-V284 HydrophobicContact CG-CG2 4.09Å; L262-V284 VanDerWaalsContact O-CB 3.24Å; L262-V284 WeakPolarHBondContact O-CB 3.02Å; L262-V284 WeakPolarHBondContact O-CG1 3.14Å; L262-V284 WeakPolarHBondContact O-CG2 3.34Å; Q263-V284 PolarHBondContact O-N 3.38Å; I265-V284 HydrophobicContact CD1-CG2 4.18Å; I265-V284 HydrophobicContact CG1-CG2 3.91Å; T282-V284 PolarHBondContact O-N 2.8Å; T282-V284 VanDerWaalsContact O-N 3.16Å; V284-M286 PolarHBondContact O-N 3.35Å; V284-V287 CarbonylContact O-C 3.59Å; V284-V287 WeakPolarHBondContact O-CG2 3.11Å; V284-V287 PolarHBondContact O-N 2.81Å; V284-V287 VanDerWaalsContact O-N 3.1Å; V284-K288 WeakPolarHBondContact O-CA 3.41Å; V284-K288 WeakPolarHBondContact O-CB 3.16Å; V284-K288 PolarHBondContact O-N 3.36Å; V284-I291 HydrophobicContact CG1-CD1 4.36Å
285	T	98.4	Very high	95.3	Very high	36 Å²	36	41.6 Å²	41.6	22%	0.221	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-25	175.1	52.3	0	0	0	0	113.7	P174 R283	P174-T285 HydrophobicContact CB-CG2 4.12Å; P174-T285 HydrophobicContact CG-CG2 3.83Å; R283-T285 WeakPolarHBondContact CG-OG1 3.48Å; R283-T285 PolarHBondContact O-N 2.99Å
286	M	98.1	Very high	95.5	Very high	85 Å²	85	45.5 Å²	45.5	42%	0.419	22%	0.218	S	C	.	.	H	α-helix	trans	-80.5	-23.9	176.5	-66.9	-64.6	-64.4	0	0	113.5	R283 V284	R283-M286 HydrophobicContact CB-CB 4.33Å; R283-M286 HydrophobicContact CB-CG 3.97Å; R283-M286 HydrophobicContact CG-CG 3.87Å; R283-M286 WeakPolarHBondContact O-CB 3.22Å; R283-M286 PolarHBondContact O-N 3Å; V284-M286 PolarHBondContact O-N 3.35Å
287	V	98.2	Very high	95.3	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-106.2	-5.3	178.8	-64.4	0	0	0	0	112.7	Y150 A152 T282 V284 Q289 W290 I291	Y150-V287 HydrophobicContact CD1-CG1 3.94Å; A152-V287 HydrophobicContact CB-CB 4.33Å; A152-V287 HydrophobicContact CB-CG1 4.18Å; A152-V287 HydrophobicContact CB-CG2 4.14Å; T282-V287 HydrophobicContact CG2-CG1 4.12Å; T282-V287 HydrophobicContact CG2-CG2 4.26Å; V284-V287 CarbonylContact O-C 3.59Å; V284-V287 WeakPolarHBondContact O-CG2 3.11Å; V284-V287 PolarHBondContact O-N 2.81Å; V284-V287 VanDerWaalsContact O-N 3.1Å; V287-Q289 PolarHBondContact O-N 3.06Å; V287-W290 HydrophobicContact CB-CE3 4.45Å; V287-W290 WeakPolarHBondContact O-CB 3.32Å; V287-W290 PolarHBondContact O-N 3.49Å; V287-W290 VanDerWaalsContact O-N 3.17Å; V287-I291 HydrophobicContact CG2-CD1 3.92Å; V287-I291 WeakPolarHBondContact O-CG1 3.43Å; V287-I291 PolarHBondContact O-N 3.13Å
288	K	98.2	Very high	94.1	Very high	44 Å²	44	44.2 Å²	44.2	19%	0.191	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-44.7	-173.6	179.1	-176	-176.6	179.1	0	113.2	L173 P174 D175 V284 W290 I291 V292	L173-K288 HydrophobicContact CD1-CG 4.45Å; P174-K288 WeakPolarHBondContact O-CD 3.38Å; P174-K288 VanDerWaalsContact O-CE 3.31Å; P174-K288 WeakPolarHBondContact O-CE 3.43Å; P174-K288 PolarHBondContact O-NZ 3.34Å; D175-K288 IonicContact OD1-NZ 3.17Å; D175-K288 PolarHBondContact OD1-NZ 2.99Å; V284-K288 WeakPolarHBondContact O-CA 3.41Å; V284-K288 WeakPolarHBondContact O-CB 3.16Å; V284-K288 PolarHBondContact O-N 3.36Å; K288-W290 VanDerWaalsContact C-N 3.27Å; K288-W290 PolarHBondContact O-N 3.07Å; K288-I291 WeakPolarHBondContact O-CB 3.31Å; K288-I291 PolarHBondContact O-N 2.76Å; K288-I291 VanDerWaalsContact O-N 3.08Å; K288-V292 HydrophobicContact CG-CG2 4.15Å; K288-V292 WeakPolarHBondContact O-CG2 3.43Å; K288-V292 PolarHBondContact O-N 3.1Å
289	Q	97.5	Very high	94.1	Very high	148 Å²	148	46.3 Å²	46.3	69%	0.692	24%	0.237	S	C	*	.	H	α-helix	trans	-58.9	-44.8	-178.9	-178.1	179.4	-3.2	0	0	110.6	V287 V292 Q293	V287-Q289 PolarHBondContact O-N 3.06Å; Q289-V292 PolarHBondContact O-N 2.77Å; Q289-Q293 WeakPolarHBondContact O-CB 3.37Å; Q289-Q293 VanDerWaalsContact O-CG 3.24Å; Q289-Q293 WeakPolarHBondContact O-CG 3.27Å; Q289-Q293 PolarHBondContact O-N 3.12Å
290	W	98.2	Very high	94.1	Very high	20 Å²	20	48.5 Å²	48.5	8%	0.076	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-44.7	173.4	167.8	80.3	0	0	0	111.4	T137 H139 A152 L154 V287 K288 V292 Q293 Q294	T137-W290 HydrophobicContact CG2-CZ2 4.14Å; H139-W290 HydrophobicContact CB-CD2 4.31Å; H139-W290 HydrophobicContact CB-CE3 4.28Å; H139-W290 HydrophobicContact CB-CH2 4.27Å; H139-W290 HydrophobicContact CB-CZ2 4.3Å; H139-W290 HydrophobicContact CB-CZ3 4.26Å; H139-W290 AromaticContact CD2-CD2 3.48Å; H139-W290 VanDerWaalsContact CD2-CD2 3.48Å; H139-W290 AromaticContact CD2-CE3 3.53Å; H139-W290 AromaticContact CD2-CG 3.59Å; A152-W290 HydrophobicContact CB-CZ3 4.03Å; L154-W290 HydrophobicContact CB-CH2 4.25Å; L154-W290 HydrophobicContact CD1-CH2 4.07Å; L154-W290 HydrophobicContact CD1-CZ2 4.46Å; L154-W290 HydrophobicContact CD1-CZ3 4.2Å; L154-W290 HydrophobicContact CG-CH2 3.71Å; L154-W290 HydrophobicContact CG-CZ2 4.46Å; L154-W290 HydrophobicContact CG-CZ3 3.94Å; V287-W290 HydrophobicContact CB-CE3 4.45Å; V287-W290 WeakPolarHBondContact O-CB 3.32Å; V287-W290 PolarHBondContact O-N 3.49Å; V287-W290 VanDerWaalsContact O-N 3.17Å; K288-W290 VanDerWaalsContact C-N 3.27Å; K288-W290 PolarHBondContact O-N 3.07Å; W290-V292 PolarHBondContact O-N 3.24Å; W290-Q293 PolarHBondContact O-N 3.24Å; W290-Q294 HydrophobicContact CD2-CG 4.3Å; W290-Q294 HydrophobicContact CZ2-CG 4.1Å; W290-Q294 WeakPolarHBondContact O-CG 3.46Å; W290-Q294 PolarHBondContact O-N 3.05Å
291	I	98.2	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-51.2	176.9	-66.5	172.3	0	0	0	110.9	I94 V100 L154 L173 V284 V287 K288 Q293 Q294 M295	I94-I291 HydrophobicContact CD1-CG2 3.52Å; V100-I291 HydrophobicContact CG2-CD1 4.2Å; L154-I291 HydrophobicContact CD1-CG2 4.31Å; L154-I291 HydrophobicContact CD2-CG1 4.49Å; L154-I291 HydrophobicContact CD2-CG2 4.29Å; L173-I291 HydrophobicContact CD1-CB 4.37Å; L173-I291 HydrophobicContact CD1-CG2 3.63Å; L173-I291 HydrophobicContact CD2-CD1 4.34Å; L173-I291 HydrophobicContact CD2-CG2 4.37Å; V284-I291 HydrophobicContact CG1-CD1 4.36Å; V287-I291 HydrophobicContact CG2-CD1 3.92Å; V287-I291 WeakPolarHBondContact O-CG1 3.43Å; V287-I291 PolarHBondContact O-N 3.13Å; K288-I291 WeakPolarHBondContact O-CB 3.31Å; K288-I291 PolarHBondContact O-N 2.76Å; K288-I291 VanDerWaalsContact O-N 3.08Å; I291-Q293 VanDerWaalsContact C-N 3.34Å; I291-Q293 PolarHBondContact O-N 3.19Å; I291-Q294 PolarHBondContact O-N 3.38Å; I291-Q294 VanDerWaalsContact O-N 3.15Å; I291-M295 HydrophobicContact CG2-CG 4.23Å; I291-M295 HydrophobicContact CG2-SD 3.94Å; I291-M295 VanDerWaalsContact O-CG 3.29Å; I291-M295 WeakPolarHBondContact O-CG 3.36Å; I291-M295 PolarHBondContact O-N 3.18Å
292	V	96.9	Very high	93.8	Very high	55 Å²	55	54 Å²	54	33%	0.333	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-40	-178.5	172.4	0	0	0	0	111.5	L173 K288 Q289 W290 Q294 M295 N296	L173-V292 HydrophobicContact CD1-CG2 4.13Å; K288-V292 HydrophobicContact CG-CG2 4.15Å; K288-V292 WeakPolarHBondContact O-CG2 3.43Å; K288-V292 PolarHBondContact O-N 3.1Å; Q289-V292 PolarHBondContact O-N 2.77Å; W290-V292 PolarHBondContact O-N 3.24Å; V292-Q294 VanDerWaalsContact C-N 3.33Å; V292-Q294 PolarHBondContact O-N 3.05Å; V292-M295 PolarHBondContact O-N 3.01Å; V292-N296 PolarHBondContact O-N 2.5Å; V292-N296 VanDerWaalsContact O-N 3.13Å; V292-N296 PolarHBondContact O-ND2 3.01Å
293	Q	95.8	Very high	93.5	Very high	103 Å²	103	57.3 Å²	57.3	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-44.6	173.9	-74.7	168.7	-7.9	0	0	111.5	Q289 W290 I291 N296 S297	Q289-Q293 WeakPolarHBondContact O-CB 3.37Å; Q289-Q293 VanDerWaalsContact O-CG 3.24Å; Q289-Q293 WeakPolarHBondContact O-CG 3.27Å; Q289-Q293 PolarHBondContact O-N 3.12Å; W290-Q293 PolarHBondContact O-N 3.24Å; I291-Q293 VanDerWaalsContact C-N 3.34Å; I291-Q293 PolarHBondContact O-N 3.19Å; Q293-N296 PolarHBondContact O-N 2.78Å; Q293-S297 WeakPolarHBondContact O-CB 3.31Å; Q293-S297 PolarHBondContact O-N 3.33Å; Q293-S297 PolarHBondContact O-OG 2.65Å
294	Q	93	Very high	93.2	Very high	34 Å²	34	57.7 Å²	57.7	16%	0.159	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-42.4	176.7	-67.4	-50.3	-63.2	0	0	111.7	L154 W290 I291 V292 N296 S297 M298	L154-Q294 HydrophobicContact CD1-CB 3.31Å; L154-Q294 HydrophobicContact CD1-CG 3.82Å; W290-Q294 HydrophobicContact CD2-CG 4.3Å; W290-Q294 HydrophobicContact CZ2-CG 4.1Å; W290-Q294 WeakPolarHBondContact O-CG 3.46Å; W290-Q294 PolarHBondContact O-N 3.05Å; I291-Q294 PolarHBondContact O-N 3.38Å; I291-Q294 VanDerWaalsContact O-N 3.15Å; V292-Q294 VanDerWaalsContact C-N 3.33Å; V292-Q294 PolarHBondContact O-N 3.05Å; Q294-N296 PolarHBondContact O-N 3.34Å; Q294-S297 WeakPolarHBondContact CA-OG 3.47Å; Q294-S297 PolarHBondContact O-N 2.99Å; Q294-S297 PolarHBondContact O-OG 3.21Å; Q294-M298 HydrophobicContact CB-CE 4.19Å; Q294-M298 HydrophobicContact CG-CE 4.45Å; Q294-M298 WeakPolarHBondContact O-CB 3.08Å; Q294-M298 WeakPolarHBondContact O-CG 3.4Å; Q294-M298 PolarHBondContact O-N 2.91Å; Q294-M298 VanDerWaalsContact O-N 3.09Å
295	M	90.9	Very high	92.8	Very high	58 Å²	58	61.8 Å²	61.8	29%	0.286	32%	0.32	S	S	.	.	H	α-helix	trans	-57	-34.9	176.7	-69.7	175.8	75.8	0	0	113	I94 L98 L173 I291 V292	I94-M295 HydrophobicContact CD1-CG 4.13Å; I94-M295 HydrophobicContact CD1-SD 3.96Å; L98-M295 HydrophobicContact CD1-CB 4.04Å; L98-M295 HydrophobicContact CD1-CG 3.62Å; L173-M295 HydrophobicContact CD1-SD 4.02Å; I291-M295 HydrophobicContact CG2-CG 4.23Å; I291-M295 HydrophobicContact CG2-SD 3.94Å; I291-M295 VanDerWaalsContact O-CG 3.29Å; I291-M295 WeakPolarHBondContact O-CG 3.36Å; I291-M295 PolarHBondContact O-N 3.18Å; V292-M295 PolarHBondContact O-N 3.01Å
296	N	88	Confident	92.3	Very high	137 Å²	137	63.8 Å²	63.8	73%	0.733	33%	0.327	S	S	*	.	H	α-helix	trans	-84.9	-10.4	179.3	-65.4	-28.2	0	0	0	113.7	V292 Q293 Q294	V292-N296 PolarHBondContact O-N 2.5Å; V292-N296 VanDerWaalsContact O-N 3.13Å; V292-N296 PolarHBondContact O-ND2 3.01Å; Q293-N296 PolarHBondContact O-N 2.78Å; Q294-N296 PolarHBondContact O-N 3.34Å
297	S	83	Confident	91.9	Very high	83 Å²	83	62 Å²	62	58%	0.58	32%	0.32	S	S	*	.	H	α-helix	trans	-111.7	-10.6	-173.8	71.9	0	0	0	0	114.4	Q293 Q294	Q293-S297 WeakPolarHBondContact O-CB 3.31Å; Q293-S297 PolarHBondContact O-N 3.33Å; Q293-S297 PolarHBondContact O-OG 2.65Å; Q294-S297 WeakPolarHBondContact CA-OG 3.47Å; Q294-S297 PolarHBondContact O-N 2.99Å; Q294-S297 PolarHBondContact O-OG 3.21Å
298	M	64.7	Low	91.3	Very high	61 Å²	61	67.5 Å²	67.5	30%	0.3	35%	0.348	S	S	.	.			trans	-102.1	0	-177.5	-74.3	-166.9	-173	0	0	111.5	L98 K135 T137 K156 Q294	L98-M298 HydrophobicContact CD2-CB 4.44Å; L98-M298 HydrophobicContact CD2-SD 3.69Å; K135-M298 HydrophobicContact CD-CE 4.47Å; T137-M298 HydrophobicContact CG2-CE 4.35Å; T137-M298 WeakPolarHBondContact OG1-CE 3.41Å; K156-M298 HydrophobicContact CB-SD 4.09Å; K156-M298 HydrophobicContact CD-CB 4.27Å; K156-M298 PolarHBondContact NZ-O 2.89Å; Q294-M298 HydrophobicContact CB-CE 4.19Å; Q294-M298 HydrophobicContact CG-CE 4.45Å; Q294-M298 WeakPolarHBondContact O-CB 3.08Å; Q294-M298 WeakPolarHBondContact O-CG 3.4Å; Q294-M298 PolarHBondContact O-N 2.91Å; Q294-M298 VanDerWaalsContact O-N 3.09Å

Retrieved 298 of 298 residues in 293.1 ms (Link to these results)

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